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C[C@@H]1CC[C@@H](C(=O)[O-])C2(CC2)C1 74333754 572657669 /nfs/dbraw/zinc/65/76/69/572657669.db2.gz FWJMCWLACIZVPU-SFYZADRCSA-N -1 0 168.236 2.287 10 0 AEAERM C[C@H]1CC[C@@H](C(=O)[O-])C2(CC2)C1 74333758 572655906 /nfs/dbraw/zinc/65/59/06/572655906.db2.gz FWJMCWLACIZVPU-YUMQZZPRSA-N -1 0 168.236 2.287 10 0 AEAERM C[C@H]1CC[C@H](C(=O)[O-])C2(CC2)C1 74333750 572657590 /nfs/dbraw/zinc/65/75/90/572657590.db2.gz FWJMCWLACIZVPU-JGVFFNPUSA-N -1 0 168.236 2.287 10 0 AEAERM C/C(=C/C=C\C(=O)[O-])c1cc[nH]c1 714522341 572658408 /nfs/dbraw/zinc/65/84/08/572658408.db2.gz LZENVNGKVGWWKQ-URCQLYCYSA-N -1 0 177.203 2.059 10 0 AEAERM C/C=C\CS[C@@H](CC)C(=O)[O-] 307860103 572658791 /nfs/dbraw/zinc/65/87/91/572658791.db2.gz ILCNWXVVSYGXHL-GLCRXLCDSA-N -1 0 174.265 2.159 10 0 AEAERM C/C=C\CS[C@H](CC)C(=O)[O-] 307860104 572659770 /nfs/dbraw/zinc/65/97/70/572659770.db2.gz ILCNWXVVSYGXHL-YSCPKTQFSA-N -1 0 174.265 2.159 10 0 AEAERM Cc1coc(C)c1[C@H](C)C(=O)[O-] 74334628 572661611 /nfs/dbraw/zinc/66/16/11/572661611.db2.gz IBFGSSQQMHRPGD-LURJTMIESA-N -1 0 168.192 2.085 10 0 AEAERM CC(=O)C[C@@H](C)C[C@@H](C)CC(=O)[O-] 238391282 572668951 /nfs/dbraw/zinc/66/89/51/572668951.db2.gz MAOVFKUIHGGTIR-JGVFFNPUSA-N -1 0 186.251 2.103 10 0 AEAERM CO[C@@H]1CCCC(C)=C1CCC(=O)[O-] 238397430 572672293 /nfs/dbraw/zinc/67/22/93/572672293.db2.gz OAXCTWKVIREYTG-SNVBAGLBSA-N -1 0 198.262 2.367 10 0 AEAERM C[C@H](C(=O)[O-])[C@@H]1CCS[C@H](C)C1 252216773 572667159 /nfs/dbraw/zinc/66/71/59/572667159.db2.gz ZKEIESPUKPTKNA-GJMOJQLCSA-N -1 0 188.292 2.239 10 0 AEAERM C[C@H](C(=O)[O-])[C@H]1CCS[C@H](C)C1 252216772 572667860 /nfs/dbraw/zinc/66/78/60/572667860.db2.gz ZKEIESPUKPTKNA-CSMHCCOUSA-N -1 0 188.292 2.239 10 0 AEAERM CO[C@@H](C)CCCCCC(=O)[O-] 116178351 572667943 /nfs/dbraw/zinc/66/79/43/572667943.db2.gz WZCFRLKZZHBHNY-QMMMGPOBSA-N -1 0 174.240 2.056 10 0 AEAERM CC(=O)C[C@@H](C)C[C@H](C)CC(=O)[O-] 238397108 572671360 /nfs/dbraw/zinc/67/13/60/572671360.db2.gz MAOVFKUIHGGTIR-YUMQZZPRSA-N -1 0 186.251 2.103 10 0 AEAERM Cc1coc(C[C@@H](C)CC(=O)[O-])c1 238401221 572671546 /nfs/dbraw/zinc/67/15/46/572671546.db2.gz MQZZKRRJWXLXEC-SSDOTTSWSA-N -1 0 182.219 2.241 10 0 AEAERM CC(=O)CC(C)(C)[C@@H](C)CC(=O)[O-] 238399609 572674637 /nfs/dbraw/zinc/67/46/37/572674637.db2.gz BRMAAQGAHPCNOU-ZETCQYMHSA-N -1 0 186.251 2.103 10 0 AEAERM CC(C)[C@H](C(=O)[O-])C1(C)CC1 74342509 572674762 /nfs/dbraw/zinc/67/47/62/572674762.db2.gz CQNDDACKQZFDGM-SSDOTTSWSA-N -1 0 156.225 2.143 10 0 AEAERM O=C([O-])CC1(CC2CC2)CC1 74342937 572674968 /nfs/dbraw/zinc/67/49/68/572674968.db2.gz YBBAEIDTHNUQEI-UHFFFAOYSA-N -1 0 154.209 2.041 10 0 AEAERM CC(C)/C=C\C[C@H](C)C(=O)[O-] 213985327 572676327 /nfs/dbraw/zinc/67/63/27/572676327.db2.gz JWWZRNPPEHNPST-LGYSABEFSA-N -1 0 156.225 2.309 10 0 AEAERM CC(C)/C=C\C[C@@H](C)C(=O)[O-] 213985268 572675912 /nfs/dbraw/zinc/67/59/12/572675912.db2.gz JWWZRNPPEHNPST-PULIVWKDSA-N -1 0 156.225 2.309 10 0 AEAERM C/C=C\[C@H](C)[C@H](C)CC(=O)[O-] 307866035 572677452 /nfs/dbraw/zinc/67/74/52/572677452.db2.gz PLDADRTXKZMANT-GBSWACPJSA-N -1 0 156.225 2.309 10 0 AEAERM CC/C=C\C[C@@](C)(F)C(=O)[O-] 307866098 572677478 /nfs/dbraw/zinc/67/74/78/572677478.db2.gz PTFHBTQMZTUZOW-PULIVWKDSA-N -1 0 160.188 2.156 10 0 AEAERM CC/C=C\C[C@](C)(F)C(=O)[O-] 307866096 572677514 /nfs/dbraw/zinc/67/75/14/572677514.db2.gz PTFHBTQMZTUZOW-LGYSABEFSA-N -1 0 160.188 2.156 10 0 AEAERM CC(C)C[C@@H](C)/C=C\C(=O)[O-] 307866746 572678705 /nfs/dbraw/zinc/67/87/05/572678705.db2.gz NBVXNACGFLZGOD-LGYSABEFSA-N -1 0 156.225 2.309 10 0 AEAERM CC(C)C[C@H](C)/C=C\C(=O)[O-] 307866748 572679457 /nfs/dbraw/zinc/67/94/57/572679457.db2.gz NBVXNACGFLZGOD-PULIVWKDSA-N -1 0 156.225 2.309 10 0 AEAERM O=C([O-])CC1(OC2CCCC2)CCC1 236418706 572681190 /nfs/dbraw/zinc/68/11/90/572681190.db2.gz WYGQLEOOTAUMNO-UHFFFAOYSA-N -1 0 198.262 2.343 10 0 AEAERM CC(C)(/C=C\C(=O)[O-])Cc1ccco1 714527183 572681376 /nfs/dbraw/zinc/68/13/76/572681376.db2.gz AFBOJYNLKQAODX-WAYWQWQTSA-N -1 0 194.230 2.489 10 0 AEAERM CCC(C)(C)/C=C(\C)C(=O)[O-] 116268979 572682303 /nfs/dbraw/zinc/68/23/03/572682303.db2.gz NQSYJBCAOCWFBT-VOTSOKGWSA-N -1 0 156.225 2.454 10 0 AEAERM CC[C@]1(C)C[C@]2(CCO1)C[C@@H]2C(=O)[O-] 70371740 572682420 /nfs/dbraw/zinc/68/24/20/572682420.db2.gz MPNIENGIEDHYDD-IEBDPFPHSA-N -1 0 198.262 2.056 10 0 AEAERM CCC[C@@H](Oc1ccccc1)C(=O)[O-] 66055838 572682502 /nfs/dbraw/zinc/68/25/02/572682502.db2.gz XYOHPPZTSDDKFM-SNVBAGLBSA-N -1 0 194.230 2.319 10 0 AEAERM CC[C@]1(C)C[C@@]2(CCO1)C[C@@H]2C(=O)[O-] 70371738 572682608 /nfs/dbraw/zinc/68/26/08/572682608.db2.gz MPNIENGIEDHYDD-FBIMIBRVSA-N -1 0 198.262 2.056 10 0 AEAERM CCC[C@H](Oc1ccccc1)C(=O)[O-] 66055837 572682976 /nfs/dbraw/zinc/68/29/76/572682976.db2.gz XYOHPPZTSDDKFM-JTQLQIEISA-N -1 0 194.230 2.319 10 0 AEAERM O=C([O-])/C=C\CCC1CCC1 714530838 572683690 /nfs/dbraw/zinc/68/36/90/572683690.db2.gz HXUABMJMCSOTNC-UQCOIBPSSA-N -1 0 154.209 2.208 10 0 AEAERM C[C@@H]1[C@H](C(=O)[O-])[C@H]1c1cccs1 253484576 572683766 /nfs/dbraw/zinc/68/37/66/572683766.db2.gz IFPWMSBASWXAQX-ARDNSNSESA-N -1 0 182.244 2.182 10 0 AEAERM C[C@@H]1[C@H](CC(C)(C)C)[C@H]1C(=O)[O-] 253483919 572685714 /nfs/dbraw/zinc/68/57/14/572685714.db2.gz CGCPCFDSXCTUSE-CSMHCCOUSA-N -1 0 170.252 2.389 10 0 AEAERM O=C([O-])/C(=C\Cl)c1ccccc1 116353119 572684535 /nfs/dbraw/zinc/68/45/35/572684535.db2.gz SWECMOXUNJKPPZ-VURMDHGXSA-N -1 0 182.606 2.351 10 0 AEAERM C[C@@H]1[C@H](C(=O)[O-])[C@@H]1c1cccs1 253484577 572685331 /nfs/dbraw/zinc/68/53/31/572685331.db2.gz IFPWMSBASWXAQX-GEVIPFJHSA-N -1 0 182.244 2.182 10 0 AEAERM C[C@@H]1[C@H](C(=O)[O-])[C@H]1c1cccc(F)c1 253484059 572685596 /nfs/dbraw/zinc/68/55/96/572685596.db2.gz DITPDWCJRWQNOX-QUNWWBBNSA-N -1 0 194.205 2.260 10 0 AEAERM C[C@H]1[C@H](C(=O)[O-])[C@@H]1CC(C)(C)C 253483920 572686087 /nfs/dbraw/zinc/68/60/87/572686087.db2.gz CGCPCFDSXCTUSE-PRJMDXOYSA-N -1 0 170.252 2.389 10 0 AEAERM C[C@H](CC(=O)[O-])Sc1ccncc1 85159247 572686417 /nfs/dbraw/zinc/68/64/17/572686417.db2.gz BQZIUZJBEYJVTM-SSDOTTSWSA-N -1 0 197.259 2.037 10 0 AEAERM C/C=C/CS[C@@H](C)CC(=O)[O-] 85157567 572686648 /nfs/dbraw/zinc/68/66/48/572686648.db2.gz LZHAFVDWMMLMPT-SDLBARTOSA-N -1 0 174.265 2.159 10 0 AEAERM C/C=C/CS[C@H](C)CC(=O)[O-] 85157569 572688004 /nfs/dbraw/zinc/68/80/04/572688004.db2.gz LZHAFVDWMMLMPT-KGGZQZJCSA-N -1 0 174.265 2.159 10 0 AEAERM C[C@@H](CC(=O)[O-])Sc1ccncc1 85159245 572689169 /nfs/dbraw/zinc/68/91/69/572689169.db2.gz BQZIUZJBEYJVTM-ZETCQYMHSA-N -1 0 197.259 2.037 10 0 AEAERM CCCCCc1n[nH]c(C)c1C(=O)[O-] 66134811 572690861 /nfs/dbraw/zinc/69/08/61/572690861.db2.gz STOXQGGWBCDUQH-UHFFFAOYSA-N -1 0 196.250 2.149 10 0 AEAERM C[C@H](CCC(=O)[O-])c1ccccc1O 238410730 572691422 /nfs/dbraw/zinc/69/14/22/572691422.db2.gz SPFQXHNFHRENLZ-MRVPVSSYSA-N -1 0 194.230 2.361 10 0 AEAERM C[C@@H]1[C@H](C(=O)[O-])[C@@H]1c1ccc(F)cc1 253485065 572691945 /nfs/dbraw/zinc/69/19/45/572691945.db2.gz LRDAVWDMWBVKGC-JUWDTYFHSA-N -1 0 194.205 2.260 10 0 AEAERM Cc1cc(CC(=O)[O-])c(C(C)C)o1 77072394 572692003 /nfs/dbraw/zinc/69/20/03/572692003.db2.gz JKCBDIUNFCYUAM-UHFFFAOYSA-N -1 0 182.219 2.339 10 0 AEAERM C[C@@H]1[C@H](C(=O)[O-])[C@H]1c1ccc(F)cc1 253485066 572692690 /nfs/dbraw/zinc/69/26/90/572692690.db2.gz LRDAVWDMWBVKGC-QUNWWBBNSA-N -1 0 194.205 2.260 10 0 AEAERM CCc1oc(C)cc1CCC(=O)[O-] 77075760 572692707 /nfs/dbraw/zinc/69/27/07/572692707.db2.gz QZLLWHXPNCLYQS-UHFFFAOYSA-N -1 0 182.219 2.168 10 0 AEAERM CCc1oc(C)cc1/C=C/C(=O)[O-] 77075759 572692854 /nfs/dbraw/zinc/69/28/54/572692854.db2.gz VRFVTBHRCUAHKB-SNAWJCMRSA-N -1 0 180.203 2.248 10 0 AEAERM C[C@@H]1[C@H](C(=O)[O-])[C@H]1C1CCCC1 253485372 572693937 /nfs/dbraw/zinc/69/39/37/572693937.db2.gz ODDYPYIZYGOCHI-ZQARSLAVSA-N -1 0 168.236 2.143 10 0 AEAERM C[C@@H]1[C@H](C(=O)[O-])[C@@H]1C1CCCC1 253485371 572694205 /nfs/dbraw/zinc/69/42/05/572694205.db2.gz ODDYPYIZYGOCHI-XVYDVKMFSA-N -1 0 168.236 2.143 10 0 AEAERM CC(=O)CCC[C@@H](C)CCC(=O)[O-] 238415518 572694554 /nfs/dbraw/zinc/69/45/54/572694554.db2.gz LIPBMWVLMHEGSH-MRVPVSSYSA-N -1 0 186.251 2.247 10 0 AEAERM C/C(=C/Cl)CSCCC(=O)[O-] 307872606 572694956 /nfs/dbraw/zinc/69/49/56/572694956.db2.gz LJCUCCRVBNMTPO-XQRVVYSFSA-N -1 0 194.683 2.337 10 0 AEAERM C[C@H](/C=C/C(=O)[O-])Cc1ccco1 238416089 572695577 /nfs/dbraw/zinc/69/55/77/572695577.db2.gz KUTWCPITSVGHAK-WTSVBCDHSA-N -1 0 180.203 2.099 10 0 AEAERM C[C@@H]1[C@H](C(=O)[O-])[C@@H]1c1ccccc1F 253486373 572696656 /nfs/dbraw/zinc/69/66/56/572696656.db2.gz WRFJWVQEVZSWKN-JUWDTYFHSA-N -1 0 194.205 2.260 10 0 AEAERM O=C([O-])C1(COCC2CC2)CCCC1 236426238 572697142 /nfs/dbraw/zinc/69/71/42/572697142.db2.gz APXKWSBACLKJLG-UHFFFAOYSA-N -1 0 198.262 2.058 10 0 AEAERM C[C@@H]1[C@H](C(=O)[O-])[C@H]1c1ccccc1F 253486374 572697146 /nfs/dbraw/zinc/69/71/46/572697146.db2.gz WRFJWVQEVZSWKN-QUNWWBBNSA-N -1 0 194.205 2.260 10 0 AEAERM O=C([O-])CCCC[C@@H]1CCCCO1 117516258 572697797 /nfs/dbraw/zinc/69/77/97/572697797.db2.gz PFZDHOCFGBANSU-SECBINFHSA-N -1 0 186.251 2.201 10 0 AEAERM C[C@@H](OCC=C1CCCCC1)C(=O)[O-] 238409742 572697838 /nfs/dbraw/zinc/69/78/38/572697838.db2.gz QAENTBVOLAHRHL-SECBINFHSA-N -1 0 198.262 2.367 10 0 AEAERM Cc1cc(C(=O)[O-])ccc1NC1CC1 54527115 572698081 /nfs/dbraw/zinc/69/80/81/572698081.db2.gz FWNIWFSXFPYXKH-UHFFFAOYSA-N -1 0 191.230 2.268 10 0 AEAERM CCSc1nc(C)ccc1C(=O)[O-] 54553753 572698579 /nfs/dbraw/zinc/69/85/79/572698579.db2.gz BLJGJAXWERXAFJ-UHFFFAOYSA-N -1 0 197.259 2.200 10 0 AEAERM O=C([O-])CCCC[C@H]1CCCCO1 117516260 572699347 /nfs/dbraw/zinc/69/93/47/572699347.db2.gz PFZDHOCFGBANSU-VIFPVBQESA-N -1 0 186.251 2.201 10 0 AEAERM C[C@@H]1C[C@@H](n2cccc2C(=O)[O-])[C@@H]1C 307623477 572699653 /nfs/dbraw/zinc/69/96/53/572699653.db2.gz DVDXCRROQWNARG-NQMVMOMDSA-N -1 0 193.246 2.403 10 0 AEAERM C[C@@H]1C[C@H](n2cccc2C(=O)[O-])[C@@H]1C 307623476 572701156 /nfs/dbraw/zinc/70/11/56/572701156.db2.gz DVDXCRROQWNARG-MRTMQBJTSA-N -1 0 193.246 2.403 10 0 AEAERM Cc1oc(C)c(/C=C\C(=O)[O-])c1C 714532917 572701639 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