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/nfs/dbraw/zinc/28/27/44/353282744.db2.gz INNYMSVAVZQTJC-SNVBAGLBSA-N -1 0 240.303 1.457 10 30 BDEERM CCc1ccc2c([O-])c(C#N)c(=O)oc2c1 ZINC000075624877 188472010 /nfs/dbraw/zinc/47/20/10/188472010.db2.gz HFSDDWFEMGEKRU-UHFFFAOYSA-N -1 0 215.208 1.933 10 30 BDEERM N#CCN(CC#N)Cc1cccc(C(=O)[O-])c1 ZINC000021517298 181040898 /nfs/dbraw/zinc/04/08/98/181040898.db2.gz PQCLTDXOCSUQGU-UHFFFAOYSA-N -1 0 229.239 1.234 10 30 BDEERM N#CCN1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000042326509 181041229 /nfs/dbraw/zinc/04/12/29/181041229.db2.gz FOSODZYZKGZMEC-UHFFFAOYSA-N -1 0 244.294 1.628 10 30 BDEERM N#CCNC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000040605420 181041782 /nfs/dbraw/zinc/04/17/82/181041782.db2.gz RAUFIHJBZRUAPB-UHFFFAOYSA-N -1 0 224.260 1.051 10 30 BDEERM N#CCN(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000037474539 181040535 /nfs/dbraw/zinc/04/05/35/181040535.db2.gz IRCOSBBCTKMLAV-UHFFFAOYSA-N -1 0 224.647 1.755 10 30 BDEERM N#Cc1c(N)n(Cc2ccccc2)nc1C(=O)[O-] ZINC000082822827 181073068 /nfs/dbraw/zinc/07/30/68/181073068.db2.gz GFRNKPWRVYNLDN-UHFFFAOYSA-N -1 0 242.238 1.083 10 30 BDEERM N#Cc1c(F)cccc1NC(=O)/C=C/C(=O)[O-] ZINC000036157384 181074833 /nfs/dbraw/zinc/07/48/33/181074833.db2.gz UWIZSGXHTVFYTM-SNAWJCMRSA-N -1 0 234.186 1.277 10 30 BDEERM C#CCOCCCOc1cccc(C(=O)[O-])c1 ZINC000062758722 188582509 /nfs/dbraw/zinc/58/25/09/188582509.db2.gz AHNVMNBSBREHKS-UHFFFAOYSA-N -1 0 234.251 1.804 10 30 BDEERM N#Cc1cc(C(=O)[O-])cc(Br)n1 ZINC000095766063 181084914 /nfs/dbraw/zinc/08/49/14/181084914.db2.gz QAXLCZJHYGNMFV-UHFFFAOYSA-N -1 0 227.017 1.414 10 30 BDEERM N#Cc1cc(N)c([O-])c(Br)c1 ZINC000116966136 181089709 /nfs/dbraw/zinc/08/97/09/181089709.db2.gz OTNKXCBVDFTVLU-UHFFFAOYSA-N -1 0 213.034 1.609 10 30 BDEERM N#Cc1ccc(Cl)cc1NCc1nnn[n-]1 ZINC000062785498 181111631 /nfs/dbraw/zinc/11/16/31/181111631.db2.gz LDYRBRGIYIUOOV-UHFFFAOYSA-N -1 0 234.650 1.337 10 30 BDEERM N#Cc1ccc(N[C@@H](C(=O)[O-])C2CC2)nc1 ZINC000054522071 181124435 /nfs/dbraw/zinc/12/44/35/181124435.db2.gz JOCQTTYZEWTTBA-SNVBAGLBSA-N -1 0 217.228 1.228 10 30 BDEERM N#Cc1cccc(OC/C=C/C(=O)[O-])c1 ZINC000051858554 181143012 /nfs/dbraw/zinc/14/30/12/181143012.db2.gz ADMDDHCAEOLIHH-GORDUTHDSA-N -1 0 203.197 1.578 10 30 BDEERM N#Cc1ccccc1N(CC(=O)[O-])C1CC1 ZINC000037474088 181146691 /nfs/dbraw/zinc/14/66/91/181146691.db2.gz ROIFTGGTFNOPEL-UHFFFAOYSA-N -1 0 216.240 1.612 10 30 BDEERM N#Cc1ccccc1NC(=O)NCCC(=O)[O-] ZINC000019980667 181147918 /nfs/dbraw/zinc/14/79/18/181147918.db2.gz AQYASQNJTUOIER-UHFFFAOYSA-N -1 0 233.227 1.154 10 30 BDEERM N#Cc1nccn1-c1ccccc1C(=O)[O-] ZINC000075847172 181172720 /nfs/dbraw/zinc/17/27/20/181172720.db2.gz MBWDNTGXLCZKAP-UHFFFAOYSA-N -1 0 213.196 1.442 10 30 BDEERM C=CC1(CC(=O)[O-])CCN(C(=O)OCC)CC1 ZINC000675078971 538517128 /nfs/dbraw/zinc/51/71/28/538517128.db2.gz CWRSAHMRILKVSF-UHFFFAOYSA-N -1 0 241.287 1.886 10 30 BDEERM C#Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000675079599 538518311 /nfs/dbraw/zinc/51/83/11/538518311.db2.gz UWOHZTNUBZYZPB-ZJUUUORDSA-N -1 0 229.235 1.327 10 30 BDEERM C/C(C#C[C@](C)(O)C1(C#N)CCC1)=C(\C)C(=O)[O-] ZINC000584626518 358295749 /nfs/dbraw/zinc/29/57/49/358295749.db2.gz QGLCBTWDKHCJAS-OEYXZAGESA-N -1 0 247.294 1.856 10 30 BDEERM C=CCN(CC(=O)[O-])C(=O)N(CC)CC ZINC000086138108 358418935 /nfs/dbraw/zinc/41/89/35/358418935.db2.gz XPDNKKMMDCDWSA-UHFFFAOYSA-N -1 0 214.265 1.021 10 30 BDEERM C#C[C@@H](C)[N-]C(=O)C(F)(F)Br ZINC000306153306 358918760 /nfs/dbraw/zinc/91/87/60/358918760.db2.gz DWGQOCQYRKNBQR-SCSAIBSYSA-N -1 0 226.020 1.112 10 30 BDEERM N#Cc1c(Cl)cccc1[C@H](O)C(=O)[O-] ZINC000238683721 361178607 /nfs/dbraw/zinc/17/86/07/361178607.db2.gz VQXOEKYHDAKUOH-QMMMGPOBSA-N -1 0 211.604 1.330 10 30 BDEERM N#CCCn1ncc(C(=O)[O-])c1Br ZINC000162122023 371614342 /nfs/dbraw/zinc/61/43/42/371614342.db2.gz KRHIXOBAJZBBLK-UHFFFAOYSA-N -1 0 244.048 1.257 10 30 BDEERM C=CCn1nc(C(=O)[O-])c2ccccc21 ZINC000039185822 372897722 /nfs/dbraw/zinc/89/77/22/372897722.db2.gz IHKRPLRYZAAPPE-UHFFFAOYSA-N -1 0 202.213 1.921 10 30 BDEERM COc1cc(CC#N)c(C#N)cc1[S-] ZINC000575648460 383901157 /nfs/dbraw/zinc/90/11/57/383901157.db2.gz NTBCRHDOXWRYLE-UHFFFAOYSA-N -1 0 204.254 1.922 10 30 BDEERM O=C([O-])/C=N/C(=O)OCc1ccccc1 ZINC000256048700 384077228 /nfs/dbraw/zinc/07/72/28/384077228.db2.gz VNSGBPQJBROFCU-IZZDOVSWSA-N -1 0 207.185 1.479 10 30 BDEERM N#CCSc1nc2[nH]c(=O)cc([O-])c2s1 ZINC000004945357 384091419 /nfs/dbraw/zinc/09/14/19/384091419.db2.gz KHXWRGJEYAHBNI-UHFFFAOYSA-N -1 0 239.281 1.306 10 30 BDEERM N#CCc1cc([S-])c(C#N)cc1[N+](=O)[O-] ZINC000575645931 384186522 /nfs/dbraw/zinc/18/65/22/384186522.db2.gz FHFVWMURAFREAY-UHFFFAOYSA-N -1 0 219.225 1.821 10 30 BDEERM COC(=O)Cc1cc(F)c([O-])c(C#N)c1 ZINC000260319616 384239095 /nfs/dbraw/zinc/23/90/95/384239095.db2.gz YHJSBENMKUGGAQ-UHFFFAOYSA-N -1 0 209.176 1.118 10 30 BDEERM C=C[C@H](O)[C@H](O)C/C=C/C=C(/C=C/C)C(=O)[O-] ZINC000096111468 384352270 /nfs/dbraw/zinc/35/22/70/384352270.db2.gz BVRKKJURERJZPQ-CFWSQTPYSA-N -1 0 238.283 1.428 10 30 biogenic BDEERM C[Si](C)(C)C#CC(=O)CCCC(=O)[O-] ZINC000196608264 384726316 /nfs/dbraw/zinc/72/63/16/384726316.db2.gz WLJBFUIIJRKVGK-UHFFFAOYSA-N -1 0 212.321 1.691 10 30 BDEERM COC(=O)c1c(C)cc([S-])cc1C#N ZINC000306898480 386546532 /nfs/dbraw/zinc/54/65/32/386546532.db2.gz XIFVXSXCLGGTQM-UHFFFAOYSA-N -1 0 207.254 1.942 10 30 BDEERM N#Cc1c(O)ccc(OC(F)F)c1CC(=O)[O-] ZINC000575385873 386947715 /nfs/dbraw/zinc/94/77/15/386947715.db2.gz CCLATPKBGIXNOM-UHFFFAOYSA-N -1 0 243.165 1.492 10 30 BDEERM N#Cc1c(CO)ccc(C(F)F)c1CC(=O)[O-] ZINC000575388093 386959150 /nfs/dbraw/zinc/95/91/50/386959150.db2.gz VLOYYVDOVJBLHQ-UHFFFAOYSA-N -1 0 241.193 1.615 10 30 BDEERM CCOC(=O)c1ccc([N+](=O)[O-])c(C#N)c1[O-] ZINC000575391948 386963282 /nfs/dbraw/zinc/96/32/82/386963282.db2.gz XZNOKIXJCRXLCH-UHFFFAOYSA-N -1 0 236.183 1.349 10 30 BDEERM CCOC(=O)Cc1ccc(O)c(C#N)c1CC ZINC000575386282 386949510 /nfs/dbraw/zinc/94/95/10/386949510.db2.gz MKZCSFLFYLACJQ-UHFFFAOYSA-N -1 0 233.267 1.932 10 30 BDEERM COc1cc(C#N)cc(C(=O)[O-])c1OC(F)F ZINC000575388441 386951185 /nfs/dbraw/zinc/95/11/85/386951185.db2.gz IRYQQYFHJZIBHU-UHFFFAOYSA-N -1 0 243.165 1.866 10 30 BDEERM COc1cc(C#N)c(C(=O)[O-])cc1OC(F)F ZINC000575388479 386951663 /nfs/dbraw/zinc/95/16/63/386951663.db2.gz KDOQWLXDEMIENU-UHFFFAOYSA-N -1 0 243.165 1.866 10 30 BDEERM N#Cc1cc(CC(=O)[O-])cc2[nH]ccc21 ZINC000575440538 387134351 /nfs/dbraw/zinc/13/43/51/387134351.db2.gz PRIIOZKZGVCQMN-UHFFFAOYSA-N -1 0 200.197 1.667 10 30 BDEERM N#Cc1cc([N+](=O)[O-])cc(OC(F)F)c1[O-] ZINC000575662557 387195094 /nfs/dbraw/zinc/19/50/94/387195094.db2.gz ALVQFAUTDOVLEI-UHFFFAOYSA-N -1 0 230.126 1.773 10 30 BDEERM COc1c(Cl)cc(/C=N\O)cc1CC(=O)[O-] ZINC000575602408 387371299 /nfs/dbraw/zinc/37/12/99/387371299.db2.gz OHXCKOHFUXSJPB-XGICHPGQSA-N -1 0 243.646 1.784 10 30 BDEERM N#Cc1cc(/C=N/O)cc(Br)c1[O-] ZINC000575603027 387373401 /nfs/dbraw/zinc/37/34/01/387373401.db2.gz YOVRHPFWDKXAOB-NYYWCZLTSA-N -1 0 241.044 1.834 10 30 BDEERM N#CCc1cc([N+](=O)[O-])c(C#N)cc1[S-] ZINC000575648373 387892621 /nfs/dbraw/zinc/89/26/21/387892621.db2.gz MNQYTPVZMQRCQV-UHFFFAOYSA-N -1 0 219.225 1.821 10 30 BDEERM N#Cc1cccc(-c2cc(C(=O)[O-])nc(N)n2)c1 ZINC000114863019 388685641 /nfs/dbraw/zinc/68/56/41/388685641.db2.gz WCSZQYOZVVCHDQ-UHFFFAOYSA-N -1 0 240.222 1.296 10 30 BDEERM CCc1c(C#N)c(F)ccc1C(=O)C(=O)[O-] ZINC000095934145 388791139 /nfs/dbraw/zinc/79/11/39/388791139.db2.gz LMJYZNWGLKBBMQ-UHFFFAOYSA-N -1 0 221.187 1.527 10 30 BDEERM C=CCC[C@H](NC(=O)[C@H]1C[C@H]1C1CC1)C(=O)[O-] ZINC000263034950 135328468 /nfs/dbraw/zinc/32/84/68/135328468.db2.gz ZDZGNNJGSLTVSO-DCAQKATOSA-N -1 0 237.299 1.568 10 30 BDEERM C#CC(=O)N(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000037473665 166109583 /nfs/dbraw/zinc/10/95/83/166109583.db2.gz WRVUSXMFBSCMIV-UHFFFAOYSA-N -1 0 237.642 1.391 10 30 BDEERM C#CCN[C@@H](C(=O)[O-])c1cc(C)c(O)c(C)c1 ZINC000051963341 166190459 /nfs/dbraw/zinc/19/04/59/166190459.db2.gz XQAUEQBFVVHXDC-LLVKDONJSA-N -1 0 233.267 1.358 10 30 BDEERM C#CCNc1ccc(Cl)c(C(=O)[O-])n1 ZINC000019965832 166193631 /nfs/dbraw/zinc/19/36/31/166193631.db2.gz KJDATBDKMPDKMD-UHFFFAOYSA-N -1 0 210.620 1.478 10 30 BDEERM C=CCN(Cc1ccccn1)C(=O)/C=C/C(=O)[O-] ZINC000032102368 166347156 /nfs/dbraw/zinc/34/71/56/166347156.db2.gz HRWRBQRNBNTLAM-VOTSOKGWSA-N -1 0 246.266 1.237 10 30 BDEERM C=C[C@H](C(=O)[O-])N1CCO[C@@H](CCC)C1 ZINC000652419173 411237199 /nfs/dbraw/zinc/23/71/99/411237199.db2.gz HDSHBDJMOQDUIB-VHSXEESVSA-N -1 0 213.277 1.127 10 30 BDEERM CC1=C([O-])c2cccc(O)c2C(=O)C1=O ZINC000000899275 168088453 /nfs/dbraw/zinc/08/84/53/168088453.db2.gz CQDXJBJBEQPBEM-UHFFFAOYSA-N -1 0 204.181 1.603 10 30 biogenic,in-vitro BDEERM CC[C@@H](Nc1ccccc1C#N)C(=O)[O-] ZINC000035411091 170917143 /nfs/dbraw/zinc/91/71/43/170917143.db2.gz XKIAPGRQEKTBFJ-SECBINFHSA-N -1 0 204.229 1.833 10 30 BDEERM COc1cc2[n-]cc(C#N)c(=O)c2cc1O ZINC000095937901 175028208 /nfs/dbraw/zinc/02/82/08/175028208.db2.gz NRBKRBAAWRIBKV-UHFFFAOYSA-N -1 0 216.196 1.526 10 30 BDEERM C[C@@H](C(=O)[O-])N(C)c1cccc(C#N)c1 ZINC000061953896 175624442 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