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325599921 /nfs/dbraw/zinc/59/99/21/325599921.db2.gz QGSVTWKFSYAEPY-UHFFFAOYSA-N 0 0 189.258 2.083 40 0 AEABRN O=C1CCN(c2cccc(Cl)c2)C1 37239781 325600041 /nfs/dbraw/zinc/60/00/41/325600041.db2.gz XGFWEYBWLMLBMK-UHFFFAOYSA-N 0 0 195.649 2.119 40 0 AEABRN O=C1CCN(c2ccc(Cl)cc2)C1 37239786 325600321 /nfs/dbraw/zinc/60/03/21/325600321.db2.gz WEBNRDDEPBOCEB-UHFFFAOYSA-N 0 0 195.649 2.119 40 0 AEABRN COC(=O)c1cc(C(F)(F)F)co1 40544523 325601909 /nfs/dbraw/zinc/60/19/09/325601909.db2.gz IUYNRHZCKJCSGA-UHFFFAOYSA-N 0 0 194.108 2.085 40 0 AEABRN C[C@@H]1CC(=O)c2ccoc2C1 57348201 325603744 /nfs/dbraw/zinc/60/37/44/325603744.db2.gz ZHULAUSPJVAEMB-ZCFIWIBFSA-N 0 0 150.177 2.045 40 0 AEABRN Cc1ccn(CCC(F)(F)F)n1 70916684 325605725 /nfs/dbraw/zinc/60/57/25/325605725.db2.gz PAMPPWNSXOQVTK-UHFFFAOYSA-N 0 0 178.157 2.144 40 0 AEABRN O=Cc1ccc2c(O)cccc2c1 79669065 325606914 /nfs/dbraw/zinc/60/69/14/325606914.db2.gz OICKVYPSMSVPLA-UHFFFAOYSA-N 0 0 172.183 2.358 40 0 AEABRN OCCCc1ccc(F)c(Cl)c1 82530174 325607573 /nfs/dbraw/zinc/60/75/73/325607573.db2.gz NIXFMJBRFSXYCF-UHFFFAOYSA-N 0 0 188.629 2.404 40 0 AEABRN Nc1ccccc1C(=O)CC1CC1 82999759 325607909 /nfs/dbraw/zinc/60/79/09/325607909.db2.gz RDERVJPQAQMGIH-UHFFFAOYSA-N 0 0 175.231 2.252 40 0 AEABRN O=C(CC1CC1)c1ccncc1 82999648 325608078 /nfs/dbraw/zinc/60/80/78/325608078.db2.gz YCVRDUFFNATTMV-UHFFFAOYSA-N 0 0 161.204 2.064 40 0 AEABRN CC[C@H](C)n1ccc(COC)n1 85020395 325610244 /nfs/dbraw/zinc/61/02/44/325610244.db2.gz SRENJPVDNJECJY-QMMMGPOBSA-N 0 0 168.240 2.001 40 0 AEABRN CC(C)n1ccc(C(F)F)n1 85020280 325610267 /nfs/dbraw/zinc/61/02/67/325610267.db2.gz PENOORGDFOUSNI-UHFFFAOYSA-N 0 0 160.167 2.402 40 0 AEABRN CC(C)(F)c1ccccc1N 107268570 325619478 /nfs/dbraw/zinc/61/94/78/325619478.db2.gz WUYHRVZJCBQJKY-UHFFFAOYSA-N 0 0 153.200 2.473 40 0 AEABRN CC(C)(F)c1ccc(N)cc1 107277083 325619541 /nfs/dbraw/zinc/61/95/41/325619541.db2.gz RTQASZDLZYOMGS-UHFFFAOYSA-N 0 0 153.200 2.473 40 0 AEABRN C[C@H](O)[C@@H]1C[C@H]1c1ccccc1 117111686 325621722 /nfs/dbraw/zinc/62/17/22/325621722.db2.gz PLLJUHLZXFKICU-LSJOCFKGSA-N 0 0 162.232 2.171 40 0 AEABRN OCc1ccc(C2CCC2)cc1 125578505 325622363 /nfs/dbraw/zinc/62/23/63/325622363.db2.gz RQYSHZUEXYZRTI-UHFFFAOYSA-N 0 0 162.232 2.446 40 0 AEABRN CC(C)Oc1c(F)cccc1C=O 144124368 325624078 /nfs/dbraw/zinc/62/40/78/325624078.db2.gz VVGQDLBDQLYWJB-UHFFFAOYSA-N 0 0 182.194 2.425 40 0 AEABRN Cc1cc(Cl)cc(C)c1CO 144232963 325624131 /nfs/dbraw/zinc/62/41/31/325624131.db2.gz OOUCDDBRBDSIKN-UHFFFAOYSA-N 0 0 170.639 2.449 40 0 in-vitro AEABRN C=C1OC(=O)Nc2ccccc21 144362319 325624150 /nfs/dbraw/zinc/62/41/50/325624150.db2.gz SWGWDJIOJBYECV-UHFFFAOYSA-N 0 0 161.160 2.219 40 0 AEABRN O=C(c1ccncc1F)C1CCC1 157391967 325624761 /nfs/dbraw/zinc/62/47/61/325624761.db2.gz MTULNIKVIVZXOE-UHFFFAOYSA-N 0 0 179.194 2.204 40 0 AEABRN CCOC(=N)CCc1ccc(O)cc1 214886496 325627537 /nfs/dbraw/zinc/62/75/37/325627537.db2.gz XPGZNFOXJJSVFX-UHFFFAOYSA-N 0 0 193.246 2.339 40 0 AEABRN OCC1(C(F)(F)F)CCCC1 216239544 325627919 /nfs/dbraw/zinc/62/79/19/325627919.db2.gz FQMLZFAOOOZAIM-UHFFFAOYSA-N 0 0 168.158 2.101 40 0 AEABRN CC(C)[C@H]1NC(=O)Cc2ccccc21 225784079 325629670 /nfs/dbraw/zinc/62/96/70/325629670.db2.gz FXSXHCLSDOXMBE-GFCCVEGCSA-N 0 0 189.258 2.056 40 0 AEABRN O=C1C[C@@H]2CCC[C@H](C1)C2F 225798943 325630228 /nfs/dbraw/zinc/63/02/28/325630228.db2.gz MYTSAMRXYYNPDW-AVSFMBPQSA-N 0 0 156.200 2.104 40 0 AEABRN OCC1C[C@@H]2CCC[C@H](C1)C2F 225799243 325630253 /nfs/dbraw/zinc/63/02/53/325630253.db2.gz SNKXHVKJZOJGAA-XWJSGITJSA-N 0 0 172.243 2.143 40 0 AEABRN Cc1nn(C)c2c1CC[C@H](C(C)C)N2 225815220 325630465 /nfs/dbraw/zinc/63/04/65/325630465.db2.gz PBTKHWJEGOBUOP-SNVBAGLBSA-N 0 0 193.294 2.111 40 0 AEABRN CC1(C)CC(=O)Nc2cccc(F)c21 225811667 325630486 /nfs/dbraw/zinc/63/04/86/325630486.db2.gz NBGPVNRXLUMXRX-UHFFFAOYSA-N 0 0 193.221 2.446 40 0 AEABRN CC(C)n1ncc2c1N[C@H](C)CC2 225813108 325630496 /nfs/dbraw/zinc/63/04/96/325630496.db2.gz CCEALIQTYBVNQE-MRVPVSSYSA-N 0 0 179.267 2.211 40 0 AEABRN CCn1ncc2c1N[C@H](C(C)C)CC2 225813155 325630535 /nfs/dbraw/zinc/63/05/35/325630535.db2.gz VCUGFZZSBTWPRT-JTQLQIEISA-N 0 0 193.294 2.286 40 0 AEABRN Cc1nn(C)c2c1CC[C@@H](C(C)C)N2 225815200 325630543 /nfs/dbraw/zinc/63/05/43/325630543.db2.gz PBTKHWJEGOBUOP-JTQLQIEISA-N 0 0 193.294 2.111 40 0 AEABRN CSc1cc(F)cc(C=O)c1 235082820 325631230 /nfs/dbraw/zinc/63/12/30/325631230.db2.gz RKVCGWLGLBNPSI-UHFFFAOYSA-N 0 0 170.208 2.360 40 0 AEABRN C[C@H](O)[C@H]1C[C@H]1c1ccc(F)cc1 245228848 325634039 /nfs/dbraw/zinc/63/40/39/325634039.db2.gz HDAPNNIUBGXYGN-XROYCOCOSA-N 0 0 180.222 2.310 40 0 AEABRN C[C@H](O)[C@@H]1C[C@H]1c1ccsc1 248382428 325634676 /nfs/dbraw/zinc/63/46/76/325634676.db2.gz WWJFDQUTTSXRDD-XVYDVKMFSA-N 0 0 168.261 2.232 40 0 AEABRN C[C@H](O)[C@H]1C[C@H]1c1cccc(F)c1 248376324 325634693 /nfs/dbraw/zinc/63/46/93/325634693.db2.gz CGKNOLNKJQLLMN-XROYCOCOSA-N 0 0 180.222 2.310 40 0 AEABRN C[C@H](O)[C@@H]1C[C@H]1c1cccc(F)c1 248376323 325634706 /nfs/dbraw/zinc/63/47/06/325634706.db2.gz 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166.245 2.181 40 0 AEABRN Cc1cncc(C2=NCCCC2)c1 18650 342924109 /nfs/dbraw/zinc/92/41/09/342924109.db2.gz FFUTTYCPDHUIRS-UHFFFAOYSA-N 0 0 174.247 2.363 40 0 AEABRN CC[C@H]1CCCCC[C@H]1NC(C)=O 28288 342924134 /nfs/dbraw/zinc/92/41/34/342924134.db2.gz UZWCSJWJWIXHTN-WDEREUQCSA-N 0 0 183.295 2.481 40 0 AEABRN CC[C@@H]1CCCCC[C@H]1NC(C)=O 28289 342924219 /nfs/dbraw/zinc/92/42/19/342924219.db2.gz UZWCSJWJWIXHTN-GHMZBOCLSA-N 0 0 183.295 2.481 40 0 AEABRN Cc1ccncc1C1=NCCCC1 18649 342924226 /nfs/dbraw/zinc/92/42/26/342924226.db2.gz AOBFOCAVYLBMCP-UHFFFAOYSA-N 0 0 174.247 2.363 40 0 AEABRN CC[C@H]1CCCCC[C@@H]1NC(C)=O 28290 342924234 /nfs/dbraw/zinc/92/42/34/342924234.db2.gz UZWCSJWJWIXHTN-QWRGUYRKSA-N 0 0 183.295 2.481 40 0 AEABRN CCn1c(=O)oc2cc(Cl)ccc21 25879 342924249 /nfs/dbraw/zinc/92/42/49/342924249.db2.gz SZWNHOJYKJCNSD-UHFFFAOYSA-N 0 0 197.621 2.268 40 0 AEABRN Cc1ccc(C2=NCCCC2)cn1 18644 342924286 /nfs/dbraw/zinc/92/42/86/342924286.db2.gz XMJSMTDBMMRWKL-UHFFFAOYSA-N 0 0 174.247 2.363 40 0 AEABRN C[NH+](C)Cc1cc2ccccc2[nH]1 50698 342925000 /nfs/dbraw/zinc/92/50/00/342925000.db2.gz HBBCKARIXVLLRZ-UHFFFAOYSA-N 0 0 174.247 2.230 40 0 AEABRN Cc1cc(C)n(C)c2cc(=O)ccc1-2 63443 342925468 /nfs/dbraw/zinc/92/54/68/342925468.db2.gz QUAYCGWNZSBYGK-UHFFFAOYSA-N 0 0 187.242 2.107 40 0 AEABRN C[C@H]1CCOC2(CCCCC2)O1 154600 342928527 /nfs/dbraw/zinc/92/85/27/342928527.db2.gz AUXQNFDMCKINEC-VIFPVBQESA-N 0 0 170.252 2.472 40 0 AEABRN CC(C)Cn1c(=O)oc2ccccc21 73759 342925947 /nfs/dbraw/zinc/92/59/47/342925947.db2.gz JVCMKAWTEGNDCK-UHFFFAOYSA-N 0 0 191.230 2.251 40 0 AEABRN Cc1csc2c(=S)nc[nH]c12 82907 342926085 /nfs/dbraw/zinc/92/60/85/342926085.db2.gz MGFOESNBBRBCNM-UHFFFAOYSA-N 0 0 182.273 2.288 40 0 AEABRN CC1(C)C[C@@H](O)N=C1c1ccccc1 116027 342927245 /nfs/dbraw/zinc/92/72/45/342927245.db2.gz ODBSLZVFGWJRFE-SNVBAGLBSA-N 0 0 189.258 2.224 40 0 AEABRN c1ccc(CCn2cccc2)nc1 138285 342927652 /nfs/dbraw/zinc/92/76/52/342927652.db2.gz FIVQLUUKBVMTHL-UHFFFAOYSA-N 0 0 172.231 2.126 40 0 AEABRN Cc1cc2nnc(-c3ccccc3)n2[nH]1 134686 342927705 /nfs/dbraw/zinc/92/77/05/342927705.db2.gz RZEUTPUUHYBYSM-UHFFFAOYSA-N 0 0 198.229 2.033 40 0 AEABRN CC(C)=CC(=O)NCc1ccccc1 145630 342928095 /nfs/dbraw/zinc/92/80/95/342928095.db2.gz KRPRWOXUFAQNOP-UHFFFAOYSA-N 0 0 189.258 2.269 40 0 AEABRN C[C@H]1C[C@H](OC=O)CC(C)(C)C1 158075 342929380 /nfs/dbraw/zinc/92/93/80/342929380.db2.gz MTZUWXFUKUHVMV-IUCAKERBSA-N 0 0 170.252 2.374 40 0 AEABRN C[C@H]1C[C@@H](OC=O)CC(C)(C)C1 158071 342929453 /nfs/dbraw/zinc/92/94/53/342929453.db2.gz MTZUWXFUKUHVMV-DTWKUNHWSA-N 0 0 170.252 2.374 40 0 AEABRN CN(C)c1c(F)cccc1F 165159 342930473 /nfs/dbraw/zinc/93/04/73/342930473.db2.gz UXHVBVCJFYGKEN-UHFFFAOYSA-N 0 0 157.163 2.031 40 0 AEABRN Cc1ccc2c(c1)NC(=S)CO2 260589 342932337 /nfs/dbraw/zinc/93/23/37/342932337.db2.gz VFHMPFXYCGNGLI-UHFFFAOYSA-N 0 0 179.244 2.127 40 0 AEABRN c1cnc2c(c1)[nH]c1cccnc12 331558 342933528 /nfs/dbraw/zinc/93/35/28/342933528.db2.gz SSCWVEDEMZHGGT-UHFFFAOYSA-N 0 0 169.187 2.111 40 0 AEABRN CN(c1ccccc1)c1ncccn1 331363 342933711 /nfs/dbraw/zinc/93/37/11/342933711.db2.gz YKXAYPNZEVBARS-UHFFFAOYSA-N 0 0 185.230 2.245 40 0 AEABRN Cc1ccc([S@](=O)CF)cc1 335209 342934034 /nfs/dbraw/zinc/93/40/34/342934034.db2.gz RJMVSDQUPISREF-NSHDSACASA-N 0 0 172.224 2.030 40 0 AEABRN Cc1cc(N)nc2c(C)cccc12 335278 342934046 /nfs/dbraw/zinc/93/40/46/342934046.db2.gz JZNZGDJWSTXRLW-UHFFFAOYSA-N 0 0 172.231 2.434 40 0 AEABRN CCC(=O)Nc1cccnc1Cl 338593 342934525 /nfs/dbraw/zinc/93/45/25/342934525.db2.gz OSOQFKIQVLVVOD-UHFFFAOYSA-N 0 0 184.626 2.084 40 0 AEABRN CCC(=O)NCc1ccc(C)cc1 362353 342934679 /nfs/dbraw/zinc/93/46/79/342934679.db2.gz NXEHUVBLMTVJGJ-UHFFFAOYSA-N 0 0 177.247 2.021 40 0 AEABRN CC1(C)NN=C(c2ccccc2)S1 348847 342934691 /nfs/dbraw/zinc/93/46/91/342934691.db2.gz XEHACDOPECPCOK-UHFFFAOYSA-N 0 0 192.287 2.421 40 0 AEABRN Cc1ccccc1NC(=O)C1CC1 362795 342934695 /nfs/dbraw/zinc/93/46/95/342934695.db2.gz QCVWZNWTAWSEOC-UHFFFAOYSA-N 0 0 175.231 2.344 40 0 AEABRN Cc1cccnc1NC(=O)C1CCC1 364234 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