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CCCN1CCCc2cc(N)ccc21 19875175 534915211 /nfs/dbraw/zinc/91/52/11/534915211.db2.gz RJJQYPMKAQLCEY-UHFFFAOYSA-N 0 0 190.290 2.431 10 0 AEAERN CCCN1CCCc2cccc(N)c21 42138187 534915636 /nfs/dbraw/zinc/91/56/36/534915636.db2.gz ZUZADNBDONGTKQ-UHFFFAOYSA-N 0 0 190.290 2.431 10 0 AEAERN CC(C)N1CCCc2c(N)cccc21 37906208 535179198 /nfs/dbraw/zinc/17/91/98/535179198.db2.gz BKXOLZGBNWPLBE-UHFFFAOYSA-N 0 0 190.290 2.430 10 0 AEAERN CC(C)N1CCCc2ccc(N)cc21 32008334 535179356 /nfs/dbraw/zinc/17/93/56/535179356.db2.gz ZMQVRKTYQGSBHI-UHFFFAOYSA-N 0 0 190.290 2.430 10 0 AEAERN CC1(C)CCC(NC(=O)C2CC2)CC1 81561993 535289036 /nfs/dbraw/zinc/28/90/36/535289036.db2.gz BFBDHYSEIDEFIL-UHFFFAOYSA-N 0 0 195.306 2.481 10 0 AEAERN CN[C@@H]1C=C(C)c2ccccc2N1C 196565381 536354723 /nfs/dbraw/zinc/35/47/23/536354723.db2.gz HYCAJSUEHJYTQL-LBPRGKRZSA-N 0 0 188.274 2.085 10 0 AEAERN CN1CCCc2cc(F)ccc21 39088229 536396698 /nfs/dbraw/zinc/39/66/98/536396698.db2.gz VIEPRJUTFQIOBE-UHFFFAOYSA-N 0 0 165.211 2.208 10 0 AEAERN 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/nfs/dbraw/zinc/78/49/26/537784926.db2.gz ZTLREKGFLHWWPX-BDAKNGLRSA-N 0 0 194.274 2.313 10 0 AEAERN C[C@H]1C[C@@]2(CC[C@H]1C)OCCC2=O 675070645 537785022 /nfs/dbraw/zinc/78/50/22/537785022.db2.gz RALBMIKVJPHERR-WCABBAIRSA-N 0 0 182.263 2.171 10 0 AEAERN C[C@@H]1CC[C@]2(C[C@H]1C)OCCC2=O 675070643 537785397 /nfs/dbraw/zinc/78/53/97/537785397.db2.gz RALBMIKVJPHERR-FXPVBKGRSA-N 0 0 182.263 2.171 10 0 AEAERN C[C@H]1C[C@]2(CC[C@H]1C)OCCC2=O 675070646 537785455 /nfs/dbraw/zinc/78/54/55/537785455.db2.gz RALBMIKVJPHERR-YWVKMMECSA-N 0 0 182.263 2.171 10 0 AEAERN C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C 33028688 537786523 /nfs/dbraw/zinc/78/65/23/537786523.db2.gz GDKIJICKRMBYHK-GUBZILKMSA-N 0 0 181.279 2.043 10 0 AEAERN CC[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C 33019235 537788852 /nfs/dbraw/zinc/78/88/52/537788852.db2.gz AZCYUPIGLXDENL-DCAQKATOSA-N 0 0 195.306 2.434 10 0 AEAERN OCc1ccc(CC2CC2)s1 675073088 537789046 /nfs/dbraw/zinc/78/90/46/537789046.db2.gz QROGKWQZDSCYIN-UHFFFAOYSA-N 0 0 168.261 2.193 10 0 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10 0 AEAERN CCC(=O)c1ccc(C)cc1N 34363172 537794161 /nfs/dbraw/zinc/79/41/61/537794161.db2.gz VHGBEDUQLFIHSK-UHFFFAOYSA-N 0 0 163.220 2.170 10 0 AEAERN CCCc1onc(C2CC2)c1C=O 675075849 537794170 /nfs/dbraw/zinc/79/41/70/537794170.db2.gz VSDLBFRNFCUGRQ-UHFFFAOYSA-N 0 0 179.219 2.317 10 0 AEAERN CC(C)c1onc(C2CC2)c1C=O 675075438 537794451 /nfs/dbraw/zinc/79/44/51/537794451.db2.gz OVQWZEIHFAMJDN-UHFFFAOYSA-N 0 0 179.219 2.488 10 0 AEAERN O=C1CCOC12CCCCCC2 675078068 537799375 /nfs/dbraw/zinc/79/93/75/537799375.db2.gz AQCDKDULLILWJY-UHFFFAOYSA-N 0 0 168.236 2.069 10 0 AEAERN CCCC1CCC2(CC1)OCC[C@H]2O 675079611 537802914 /nfs/dbraw/zinc/80/29/14/537802914.db2.gz FGWJJXSFNKPIKX-MOENNCHZSA-N 0 0 198.306 2.497 10 0 AEAERN CCn1cnc2c(N(C)C)cccc21 675079480 537804802 /nfs/dbraw/zinc/80/48/02/537804802.db2.gz GIUABOLICOHGGL-UHFFFAOYSA-N 0 0 189.262 2.122 10 0 AEAERN CCC1CCC2(CC1)OCC[C@@H]2O 675080186 537804962 /nfs/dbraw/zinc/80/49/62/537804962.db2.gz MHQIMACOEVMVLO-YVNMAJEFSA-N 0 0 184.279 2.107 10 0 AEAERN CCCC1CCC2(CC1)OCC[C@@H]2O 675079610 537805478 /nfs/dbraw/zinc/80/54/78/537805478.db2.gz FGWJJXSFNKPIKX-CXQJBGSLSA-N 0 0 198.306 2.497 10 0 AEAERN CCC1CCC2(CC1)OCC[C@H]2O 675080185 537805828 /nfs/dbraw/zinc/80/58/28/537805828.db2.gz MHQIMACOEVMVLO-HSOILSAZSA-N 0 0 184.279 2.107 10 0 AEAERN CC1(C)CCC[C@@]2(C1)OCC[C@@H]2O 675080373 537806953 /nfs/dbraw/zinc/80/69/53/537806953.db2.gz OSGQPHZDKXTJMX-ONGXEEELSA-N 0 0 184.279 2.107 10 0 AEAERN Cc1cccc([C@@]23CC[C@@H](C2)[C@@H]3O)c1 675081250 537806972 /nfs/dbraw/zinc/80/69/72/537806972.db2.gz ODSSXOMOAASZBU-WCFLWFBJSA-N 0 0 188.270 2.407 10 0 AEAERN CC(=O)c1cc(N)cc(OC(C)C)c1 675080481 537807019 /nfs/dbraw/zinc/80/70/19/537807019.db2.gz ROCBXISLKATVIA-UHFFFAOYSA-N 0 0 193.246 2.259 10 0 AEAERN Cc1cccc([C@@]23CC[C@@H](C2)[C@H]3O)c1 675081249 537807112 /nfs/dbraw/zinc/80/71/12/537807112.db2.gz ODSSXOMOAASZBU-CYZMBNFOSA-N 0 0 188.270 2.407 10 0 AEAERN Fc1ccc(-c2ccsn2)cn1 675082685 537807133 /nfs/dbraw/zinc/80/71/33/537807133.db2.gz 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675082670 537808950 /nfs/dbraw/zinc/80/89/50/537808950.db2.gz VDTLHMUHHBPICP-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN O=Cc1ccc(-c2ccc(F)nc2)o1 675082666 537809002 /nfs/dbraw/zinc/80/90/02/537809002.db2.gz UXOIPMSHXBFGLN-UHFFFAOYSA-N 0 0 191.161 2.293 10 0 AEAERN Cc1cc(-c2ccc(C=O)o2)on1 675082103 537809071 /nfs/dbraw/zinc/80/90/71/537809071.db2.gz CYMVJNQGEATBRZ-UHFFFAOYSA-N 0 0 177.159 2.056 10 0 AEAERN CC1(C)CCC(=O)[C@H]2CSC[C@H]21 675080462 537809123 /nfs/dbraw/zinc/80/91/23/537809123.db2.gz QSDPXTOXPDMRQI-JGVFFNPUSA-N 0 0 184.304 2.355 10 0 AEAERN CC1(C)CCC(=O)[C@@H]2CSC[C@@H]21 675080463 537809148 /nfs/dbraw/zinc/80/91/48/537809148.db2.gz QSDPXTOXPDMRQI-SFYZADRCSA-N 0 0 184.304 2.355 10 0 AEAERN CC(C)C1CCC2(CC1)OCC[C@@H]2O 675080898 537809394 /nfs/dbraw/zinc/80/93/94/537809394.db2.gz XJTHYPMIEPVJKA-CXQJBGSLSA-N 0 0 198.306 2.353 10 0 AEAERN Cc1cc(-c2ccc(C=O)cc2)on1 675082017 537809726 /nfs/dbraw/zinc/80/97/26/537809726.db2.gz BQYMHMSNUFKTSE-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 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/nfs/dbraw/zinc/87/75/60/537877560.db2.gz YTGGHYIIGMELAZ-UHFFFAOYSA-N 0 0 175.235 2.098 10 0 AEAERN C[C@@H]1CC[C@@H](C)[C@@]2(CCNC(=O)O2)C1 685965270 537877588 /nfs/dbraw/zinc/87/75/88/537877588.db2.gz WXMRKMVGEISHHY-FXPVBKGRSA-N 0 0 197.278 2.311 10 0 AEAERN CC(C)Cn1cc2ccc(N)cc2n1 685965775 537877598 /nfs/dbraw/zinc/87/75/98/537877598.db2.gz SGMYTFLTMFVOMD-UHFFFAOYSA-N 0 0 189.262 2.275 10 0 AEAERN CC1(C)CCC2(CCNC(=O)O2)CC1 685965117 537877622 /nfs/dbraw/zinc/87/76/22/537877622.db2.gz PIGVGAIAUUHZKT-UHFFFAOYSA-N 0 0 197.278 2.455 10 0 AEAERN C=C(OCC)c1cccc(N)c1 685965173 537878024 /nfs/dbraw/zinc/87/80/24/537878024.db2.gz RWGVTZSBKNZAIP-UHFFFAOYSA-N 0 0 163.220 2.276 10 0 AEAERN Nc1cnc2[nH]cc(C3CC3)c2c1 685965890 537878152 /nfs/dbraw/zinc/87/81/52/537878152.db2.gz XYQMAAVBNCCTSQ-UHFFFAOYSA-N 0 0 173.219 2.023 10 0 AEAERN C=C(OCC)c1cccc(O)c1 685965090 537878202 /nfs/dbraw/zinc/87/82/02/537878202.db2.gz OOJCIYCHLMNRBP-UHFFFAOYSA-N 0 0 164.204 2.399 10 0 AEAERN C=C(C(=O)OC)c1ccc(F)cc1F 80339708 537878234 /nfs/dbraw/zinc/87/82/34/537878234.db2.gz RZAWURAEJZIPGT-UHFFFAOYSA-N 0 0 198.168 2.151 10 0 AEAERN C=C(OCC)c1cnc(F)c(F)c1 685965282 537878454 /nfs/dbraw/zinc/87/84/54/537878454.db2.gz XMWCDPMVKYSLMF-UHFFFAOYSA-N 0 0 185.173 2.367 10 0 AEAERN C=C(OCC)c1ncncc1Cl 685965896 537878482 /nfs/dbraw/zinc/87/84/82/537878482.db2.gz YEPPEIPUBBOGLS-UHFFFAOYSA-N 0 0 184.626 2.137 10 0 AEAERN CC(C)Cc1c[nH]c2ncc(N)cc12 685965939 537878515 /nfs/dbraw/zinc/87/85/15/537878515.db2.gz ZWJAZCMNNQNQLP-UHFFFAOYSA-N 0 0 189.262 2.344 10 0 AEAERN Cc1nn(CC(C)(C)C(C)C)cc1N 713235397 537879207 /nfs/dbraw/zinc/87/92/07/537879207.db2.gz JZNWJELYGYDNCF-UHFFFAOYSA-N 0 0 195.310 2.456 10 0 AEAERN Cc1cc(N)nn1C[C@H](C)C(C)(C)C 710771137 537879314 /nfs/dbraw/zinc/87/93/14/537879314.db2.gz YXADXQJWIRCBDX-QMMMGPOBSA-N 0 0 195.310 2.456 10 0 AEAERN Cc1nn(C[C@@H](C)C(C)(C)C)cc1N 710819072 537879808 /nfs/dbraw/zinc/87/98/08/537879808.db2.gz HVPNGKJPJNJPPU-MRVPVSSYSA-N 0 0 195.310 2.456 10 0 AEAERN Cc1cn(CC(C)(C)C(C)C)nc1N 713231229 537879871 /nfs/dbraw/zinc/87/98/71/537879871.db2.gz UFTFHJYOWJWDOB-UHFFFAOYSA-N 0 0 195.310 2.456 10 0 AEAERN Cc1nn(C[C@H](C)C(C)(C)C)cc1N 710819273 537879911 /nfs/dbraw/zinc/87/99/11/537879911.db2.gz HVPNGKJPJNJPPU-QMMMGPOBSA-N 0 0 195.310 2.456 10 0 AEAERN CCC(C)(C)Cn1nc(N)cc1C 713209785 537879987 /nfs/dbraw/zinc/87/99/87/537879987.db2.gz YBFDEMDELOXUAG-UHFFFAOYSA-N 0 0 181.283 2.210 10 0 AEAERN CCC(C)(C)Cn1cc(N)c(C)n1 713221986 537879998 /nfs/dbraw/zinc/87/99/98/537879998.db2.gz XXEPGGZDNVGCJX-UHFFFAOYSA-N 0 0 181.283 2.210 10 0 AEAERN Cc1c(N)cnn1C[C@H](C)C(C)(C)C 710819321 537880085 /nfs/dbraw/zinc/88/00/85/537880085.db2.gz INDDZJHHSNRQOP-QMMMGPOBSA-N 0 0 195.310 2.456 10 0 AEAERN CCC(C)(C)Cn1cc(C)c(N)n1 713209782 537880128 /nfs/dbraw/zinc/88/01/28/537880128.db2.gz XZRNXYXAEGIQFA-UHFFFAOYSA-N 0 0 181.283 2.210 10 0 AEAERN CCC(C)(C)C[C@@H](O)c1cn[nH]c1 713218201 537880162 /nfs/dbraw/zinc/88/01/62/537880162.db2.gz ONKTWZUFFCGAOD-SECBINFHSA-N 0 0 182.267 2.269 10 0 AEAERN C[C@@H](Cn1ccc(N)n1)C(C)(C)C 710767277 537880181 /nfs/dbraw/zinc/88/01/81/537880181.db2.gz PGZRATBTQPWWNN-QMMMGPOBSA-N 0 0 181.283 2.148 10 0 AEAERN Nc1cnn(CCCC2CCC2)c1 711190796 537880265 /nfs/dbraw/zinc/88/02/65/537880265.db2.gz IVWWTKBSWRDWSD-UHFFFAOYSA-N 0 0 179.267 2.046 10 0 AEAERN Cc1cn(C[C@@H](C)C(C)(C)C)nc1N 710766291 537880715 /nfs/dbraw/zinc/88/07/15/537880715.db2.gz NAEZKSQVLUXGCT-SECBINFHSA-N 0 0 195.310 2.456 10 0 AEAERN O=C1CCC2(CC2)CC1=C(O)C1CC1 710163479 537880907 /nfs/dbraw/zinc/88/09/07/537880907.db2.gz WGHPPQCGPJPHGE-VIFPVBQESA-N 0 0 192.258 2.115 10 0 AEAERN C[C@H](Cn1ccc(N)n1)C(C)(C)C 710767258 537881226 /nfs/dbraw/zinc/88/12/26/537881226.db2.gz PGZRATBTQPWWNN-MRVPVSSYSA-N 0 0 181.283 2.148 10 0 AEAERN C=C/C=C/CCn1cc(Cl)c(N)n1 713757408 537881338 /nfs/dbraw/zinc/88/13/38/537881338.db2.gz IJFLKQAVGFXGMI-ONEGZZNKSA-N 0 0 197.669 2.251 10 0 AEAERN CCC(C)(C)Cn1ncc(N)c1C 713219555 537881405 /nfs/dbraw/zinc/88/14/05/537881405.db2.gz INZLHFNCBNEJIH-UHFFFAOYSA-N 0 0 181.283 2.210 10 0 AEAERN CCC(C)(C)C[C@H](O)c1cn[nH]c1 713218202 537881416 /nfs/dbraw/zinc/88/14/16/537881416.db2.gz ONKTWZUFFCGAOD-VIFPVBQESA-N 0 0 182.267 2.269 10 0 AEAERN Cc1cn(C[C@H](C)C(C)(C)C)nc1N 710766297 537881649 /nfs/dbraw/zinc/88/16/49/537881649.db2.gz NAEZKSQVLUXGCT-VIFPVBQESA-N 0 0 195.310 2.456 10 0 AEAERN CC(C)(C)Cn1cc(Cl)c(N)n1 713202235 537881704 /nfs/dbraw/zinc/88/17/04/537881704.db2.gz OZMNCGZLOQOIOJ-UHFFFAOYSA-N 0 0 187.674 2.165 10 0 AEAERN Cc1cc(N)nn1C[C@@H](C)C(C)(C)C 710771135 537881925 /nfs/dbraw/zinc/88/19/25/537881925.db2.gz YXADXQJWIRCBDX-MRVPVSSYSA-N 0 0 195.310 2.456 10 0 AEAERN CC(C)C(C)(C)Cn1cc(N)cn1 713220448 537881974 /nfs/dbraw/zinc/88/19/74/537881974.db2.gz MJYVMUTWAYZDLR-UHFFFAOYSA-N 0 0 181.283 2.148 10 0 AEAERN C[C@@H](Cn1cc(N)cn1)C(C)(C)C 710771275 537882036 /nfs/dbraw/zinc/88/20/36/537882036.db2.gz ZFQDHMVQSZGIHX-QMMMGPOBSA-N 0 0 181.283 2.148 10 0 AEAERN CC(C)C(C)(C)Cn1ccc(N)n1 713220361 537882331 /nfs/dbraw/zinc/88/23/31/537882331.db2.gz LPTCYQBSUGWTJV-UHFFFAOYSA-N 0 0 181.283 2.148 10 0 AEAERN Cc1c(N)cnn1CC(C)(C)C(C)C 713234196 537882355 /nfs/dbraw/zinc/88/23/55/537882355.db2.gz FHWMENRQTHDOHH-UHFFFAOYSA-N 0 0 195.310 2.456 10 0 AEAERN C=C/C=C/CCn1nc(C)c(N)c1C 713758895 537882456 /nfs/dbraw/zinc/88/24/56/537882456.db2.gz QVNLXKWSFAUOJO-AATRIKPKSA-N 0 0 191.278 2.214 10 0 AEAERN C[C@H](Cn1cc(N)cn1)C(C)(C)C 710771272 537882520 /nfs/dbraw/zinc/88/25/20/537882520.db2.gz ZFQDHMVQSZGIHX-MRVPVSSYSA-N 0 0 181.283 2.148 10 0 AEAERN O=C1CCC2(CC2)CC1=C(O)C1CC1 710163478 537882642 /nfs/dbraw/zinc/88/26/42/537882642.db2.gz WGHPPQCGPJPHGE-SECBINFHSA-N 0 0 192.258 2.115 10 0 AEAERN CCN(CC)c1cccc(C=O)c1 82398263 537882671 /nfs/dbraw/zinc/88/26/71/537882671.db2.gz FZTXXVJTGZZNLX-UHFFFAOYSA-N 0 0 177.247 2.345 10 0 AEAERN CC(C)=CCCn1ncc(N)c1C 718569549 537883273 /nfs/dbraw/zinc/88/32/73/537883273.db2.gz ZUWMUIAHIULAQI-UHFFFAOYSA-N 0 0 179.267 2.130 10 0 AEAERN O[C@@H](c1cn[nH]c1)C1CC2(CCC2)C1 717608440 537883559 /nfs/dbraw/zinc/88/35/59/537883559.db2.gz OLTDAUFNKNRGHG-SNVBAGLBSA-N 0 0 192.262 2.023 10 0 AEAERN CC(=O)C1=C(O)C(C)(C)CCCC1 719287310 537883796 /nfs/dbraw/zinc/88/37/96/537883796.db2.gz USDIYKDMZWNWFV-VIFPVBQESA-N 0 0 182.263 2.361 10 0 AEAERN CC(C)=CCCn1cc(Cl)c(N)n1 718538104 537884267 /nfs/dbraw/zinc/88/42/67/537884267.db2.gz HYHZESWUDOONMU-UHFFFAOYSA-N 0 0 199.685 2.475 10 0 AEAERN O[C@H](c1cn[nH]c1)C1CC2(CCC2)C1 717608436 537884394 /nfs/dbraw/zinc/88/43/94/537884394.db2.gz OLTDAUFNKNRGHG-JTQLQIEISA-N 0 0 192.262 2.023 10 0 AEAERN CC(C)=CCCn1cc(N)c(C)n1 718564446 537884657 /nfs/dbraw/zinc/88/46/57/537884657.db2.gz HZADAMJAXCEDTR-UHFFFAOYSA-N 0 0 179.267 2.130 10 0 AEAERN CC(C)=C(C)CCn1ccc(N)n1 718513308 537885038 /nfs/dbraw/zinc/88/50/38/537885038.db2.gz NAZIAOAMMBNMHW-UHFFFAOYSA-N 0 0 179.267 2.212 10 0 AEAERN CC(C)=CCCn1nc(N)cc1C 718536987 537885266 /nfs/dbraw/zinc/88/52/66/537885266.db2.gz AVGGJZXBNKNNKE-UHFFFAOYSA-N 0 0 179.267 2.130 10 0 AEAERN CC(C)=CCCn1cc(C)c(N)n1 718538017 537885386 /nfs/dbraw/zinc/88/53/86/537885386.db2.gz HOUHMZKACKJWIF-UHFFFAOYSA-N 0 0 179.267 2.130 10 0 AEAERN CC(=O)C1=C(O)C(C)(C)CCCC1 719287309 537885468 /nfs/dbraw/zinc/88/54/68/537885468.db2.gz USDIYKDMZWNWFV-SECBINFHSA-N 0 0 182.263 2.361 10 0 AEAERN CC(C)=C(C)CCn1cc(N)cn1 718514467 537885528 /nfs/dbraw/zinc/88/55/28/537885528.db2.gz RMFXMNFIBDRVBT-UHFFFAOYSA-N 0 0 179.267 2.212 10 0 AEAERN Cc1cn(CC2CC(C)(C)C2)nc1N 723548779 537887128 /nfs/dbraw/zinc/88/71/28/537887128.db2.gz BQXVKNDNLJPBOM-UHFFFAOYSA-N 0 0 193.294 2.210 10 0 AEAERN CC1(C)C[C@H]1Cn1cc(Cl)c(N)n1 722670064 537887171 /nfs/dbraw/zinc/88/71/71/537887171.db2.gz FKPXDJXYVCGIKJ-LURJTMIESA-N 0 0 199.685 2.165 10 0 AEAERN Cc1nn(CC2CC(C)(C)C2)cc1N 723551271 537887257 /nfs/dbraw/zinc/88/72/57/537887257.db2.gz CYGHDWKGUJDIJQ-UHFFFAOYSA-N 0 0 193.294 2.210 10 0 AEAERN CC[C@H]1C[C@H]1Cn1nc(C)c(N)c1C 723050648 537887464 /nfs/dbraw/zinc/88/74/64/537887464.db2.gz DTUATEJOKJPCAR-UWVGGRQHSA-N 0 0 193.294 2.128 10 0 AEAERN CC[C@@H]1C[C@H]1Cn1cc(Cl)c(N)n1 723053233 537887529 /nfs/dbraw/zinc/88/75/29/537887529.db2.gz VJLXPQZRVUUDHW-RQJHMYQMSA-N 0 0 199.685 2.165 10 0 AEAERN CC[C@@H]1C[C@@H]1Cn1cc(Cl)c(N)n1 723053232 537887827 /nfs/dbraw/zinc/88/78/27/537887827.db2.gz VJLXPQZRVUUDHW-RNFRBKRXSA-N 0 0 199.685 2.165 10 0 AEAERN Cc1nn(C[C@H]2CC2(C)C)c(C)c1N 722671756 537887930 /nfs/dbraw/zinc/88/79/30/537887930.db2.gz KHDDPXONORUPRQ-SECBINFHSA-N 0 0 193.294 2.128 10 0 AEAERN C[C@@H]1CC[C@@H](C)[C@@](C)(O)C1 82861536 537888143 /nfs/dbraw/zinc/88/81/43/537888143.db2.gz FCZWEWBNRGMFBE-HLTSFMKQSA-N 0 0 142.242 2.194 10 0 AEAERN CC[C@H]1C[C@@H]1Cn1cc(Cl)c(N)n1 723053231 537888155 /nfs/dbraw/zinc/88/81/55/537888155.db2.gz VJLXPQZRVUUDHW-NKWVEPMBSA-N 0 0 199.685 2.165 10 0 AEAERN CC[C@H]1C[C@H]1Cn1cc(Cl)c(N)n1 723053230 537888247 /nfs/dbraw/zinc/88/82/47/537888247.db2.gz VJLXPQZRVUUDHW-BQBZGAKWSA-N 0 0 199.685 2.165 10 0 AEAERN Cc1cc(N)nn1CC1CC(C)(C)C1 723549090 537888634 /nfs/dbraw/zinc/88/86/34/537888634.db2.gz DNRRKRFXYKCCDG-UHFFFAOYSA-N 0 0 193.294 2.210 10 0 AEAERN Cc1nn(C[C@@H]2CC2(C)C)c(C)c1N 722671762 537888718 /nfs/dbraw/zinc/88/87/18/537888718.db2.gz KHDDPXONORUPRQ-VIFPVBQESA-N 0 0 193.294 2.128 10 0 AEAERN CC1(C)C[C@@H]1Cn1cc(Cl)c(N)n1 722670065 537888882 /nfs/dbraw/zinc/88/88/82/537888882.db2.gz FKPXDJXYVCGIKJ-ZCFIWIBFSA-N 0 0 199.685 2.165 10 0 AEAERN CC[C@@H]1C[C@@H]1Cn1nc(C)c(N)c1C 723050647 537889094 /nfs/dbraw/zinc/88/90/94/537889094.db2.gz DTUATEJOKJPCAR-NXEZZACHSA-N 0 0 193.294 2.128 10 0 AEAERN CC[C@H]1C[C@@H]1Cn1nc(C)c(N)c1C 723050650 537889191 /nfs/dbraw/zinc/88/91/91/537889191.db2.gz DTUATEJOKJPCAR-VHSXEESVSA-N 0 0 193.294 2.128 10 0 AEAERN C[C@H]1Cc2nc(C[NH3+])sc2[C@H](C)C1 82849669 537889315 /nfs/dbraw/zinc/88/93/15/537889315.db2.gz XUDZWGUIIGAAIA-RNFRBKRXSA-N 0 0 196.319 2.288 10 0 AEAERN Cc1c(N)cnn1CC1CC(C)(C)C1 723552586 537889607 /nfs/dbraw/zinc/88/96/07/537889607.db2.gz KNCWRUZHOLUODC-UHFFFAOYSA-N 0 0 193.294 2.210 10 0 AEAERN Nc1ccc2cnn(C3CCC3)c2c1 724151734 537889595 /nfs/dbraw/zinc/88/95/95/537889595.db2.gz TZJXDXMCHWRAID-UHFFFAOYSA-N 0 0 187.246 2.344 10 0 AEAERN CCc1nn(C2CCC2)c(CC)c1N 724151591 537889709 /nfs/dbraw/zinc/88/97/09/537889709.db2.gz SPADIDOGXDXHDQ-UHFFFAOYSA-N 0 0 193.294 2.315 10 0 AEAERN C[C@H]1CC[C@@H](C)C[C@]1(C)O 82861534 537889720 /nfs/dbraw/zinc/88/97/20/537889720.db2.gz FCZWEWBNRGMFBE-VGMNWLOBSA-N 0 0 142.242 2.194 10 0 AEAERN CC1(C)CC(C[C@@H](O)c2cn[nH]c2)C1 723598083 537889759 /nfs/dbraw/zinc/88/97/59/537889759.db2.gz TYCBRDCDKXZUFM-SNVBAGLBSA-N 0 0 194.278 2.269 10 0 AEAERN CC1(C)CC(C[C@H](O)c2cn[nH]c2)C1 723598082 537889997 /nfs/dbraw/zinc/88/99/97/537889997.db2.gz TYCBRDCDKXZUFM-JTQLQIEISA-N 0 0 194.278 2.269 10 0 AEAERN CC[C@@H]1C[C@H]1Cn1nc(C)c(N)c1C 723050651 537890144 /nfs/dbraw/zinc/89/01/44/537890144.db2.gz DTUATEJOKJPCAR-ZJUUUORDSA-N 0 0 193.294 2.128 10 0 AEAERN CCC1CCC(n2cnc(N)n2)CC1 82848534 537890514 /nfs/dbraw/zinc/89/05/14/537890514.db2.gz WPZRBWVVJMJDCN-UHFFFAOYSA-N 0 0 194.282 2.002 10 0 AEAERN C[C@H]1C[C@@H](C)Cc2nc(C[NH3+])sc21 82849671 537890852 /nfs/dbraw/zinc/89/08/52/537890852.db2.gz XUDZWGUIIGAAIA-RQJHMYQMSA-N 0 0 196.319 2.288 10 0 AEAERN CC[C@]1(CC(N)=S)CCCCO1 725243829 537891081 /nfs/dbraw/zinc/89/10/81/537891081.db2.gz JXROGQUCDMHQFD-SECBINFHSA-N 0 0 187.308 2.012 10 0 AEAERN CCc1nc2cc(C)cc(Cl)n2n1 725243088 537891232 /nfs/dbraw/zinc/89/12/32/537891232.db2.gz JNEMVGFLBSUGDY-UHFFFAOYSA-N 0 0 195.653 2.254 10 0 AEAERN C[C@@H]1Cc2nc(C[NH3+])sc2[C@H](C)C1 82849668 537891336 /nfs/dbraw/zinc/89/13/36/537891336.db2.gz XUDZWGUIIGAAIA-NKWVEPMBSA-N 0 0 196.319 2.288 10 0 AEAERN C[C@@H]1Cc2nc(C[NH3+])sc2[C@@H](C)C1 82849670 537891577 /nfs/dbraw/zinc/89/15/77/537891577.db2.gz XUDZWGUIIGAAIA-BQBZGAKWSA-N 0 0 196.319 2.288 10 0 AEAERN NC(=S)C[C@@H]1C[C@@H]2CCC[C@H]21 725243698 537891886 /nfs/dbraw/zinc/89/18/86/537891886.db2.gz CZMSAQUPPGUKCJ-BIIVOSGPSA-N 0 0 169.293 2.099 10 0 AEAERN CCc1c(C)cc2ncnn2c1Cl 725243255 537891953 /nfs/dbraw/zinc/89/19/53/537891953.db2.gz SNSOSPIJJLAFDU-UHFFFAOYSA-N 0 0 195.653 2.254 10 0 AEAERN OCC[C@@H]1C[C@H]1Cc1ccccc1 725242148 537892528 /nfs/dbraw/zinc/89/25/28/537892528.db2.gz IRLIVFFFNALBOS-VXGBXAGGSA-N 0 0 176.259 2.248 10 0 AEAERN CC(C(=O)C(C)(C)C)=C(O)C1CC1 83053895 537892713 /nfs/dbraw/zinc/89/27/13/537892713.db2.gz VTJCRUFASZQPSW-ZETCQYMHSA-N 0 0 182.263 2.217 10 0 AEAERN CC[C@@]1(CC(N)=S)CCCCO1 725243830 537892961 /nfs/dbraw/zinc/89/29/61/537892961.db2.gz JXROGQUCDMHQFD-VIFPVBQESA-N 0 0 187.308 2.012 10 0 AEAERN NC(=S)C[C@@H]1C[C@@H]2CCC[C@@H]21 725243700 537893108 /nfs/dbraw/zinc/89/31/08/537893108.db2.gz CZMSAQUPPGUKCJ-FXQIFTODSA-N 0 0 169.293 2.099 10 0 AEAERN NC(=S)C[C@@H]1C[C@H]2CCC[C@@H]12 725243701 537893220 /nfs/dbraw/zinc/89/32/20/537893220.db2.gz CZMSAQUPPGUKCJ-GJMOJQLCSA-N 0 0 169.293 2.099 10 0 AEAERN NC(=S)c1ccccc1C(F)F 725243817 537893608 /nfs/dbraw/zinc/89/36/08/537893608.db2.gz IYKMPDLQZXLVSC-UHFFFAOYSA-N 0 0 187.214 2.258 10 0 AEAERN CC(C)n1cnc2c(Cl)nncc21 725242145 537893787 /nfs/dbraw/zinc/89/37/87/537893787.db2.gz ILFLEFQSVRSQNY-UHFFFAOYSA-N 0 0 196.641 2.061 10 0 AEAERN NC(=S)C[C@@H]1C[C@H]2CCC[C@H]12 725243699 537893829 /nfs/dbraw/zinc/89/38/29/537893829.db2.gz CZMSAQUPPGUKCJ-CSMHCCOUSA-N 0 0 169.293 2.099 10 0 AEAERN Fc1cc(Cl)cc(-n2ccnn2)c1 725242166 537894126 /nfs/dbraw/zinc/89/41/26/537894126.db2.gz KEABKDFUACNHHW-UHFFFAOYSA-N 0 0 197.600 2.060 10 0 AEAERN CC(C(=O)C(C)(C)C)=C(O)C1CC1 83053897 537894451 /nfs/dbraw/zinc/89/44/51/537894451.db2.gz VTJCRUFASZQPSW-SSDOTTSWSA-N 0 0 182.263 2.217 10 0 AEAERN CCCc1cc(Cl)n2ncnc2c1 725246680 537895016 /nfs/dbraw/zinc/89/50/16/537895016.db2.gz SKFXPYUFLOLYOX-UHFFFAOYSA-N 0 0 195.653 2.335 10 0 AEAERN O=Cc1sccc1-c1cncnc1 725245870 537895037 /nfs/dbraw/zinc/89/50/37/537895037.db2.gz MAFHBBYGIIASGW-UHFFFAOYSA-N 0 0 190.227 2.018 10 0 AEAERN CCC(C)(C)[C@H]1CCC(=O)[C@@H](O)C1 725245518 537895369 /nfs/dbraw/zinc/89/53/69/537895369.db2.gz JHFLPXIBVGFZKK-WPRPVWTQSA-N 0 0 184.279 2.153 10 0 AEAERN Cc1ccc2oc(C3(N)CC3)nc2c1 82880114 537895545 /nfs/dbraw/zinc/89/55/45/537895545.db2.gz LLMYXLQGJYUJSA-UHFFFAOYSA-N 0 0 188.230 2.084 10 0 AEAERN Cc1cc(C=O)c2cnccc2c1 725245822 537895729 /nfs/dbraw/zinc/89/57/29/537895729.db2.gz IILRGLLUPFRZKB-UHFFFAOYSA-N 0 0 171.199 2.356 10 0 AEAERN CCC(C)(C)[C@@H]1CCC(=O)[C@@H](O)C1 725245515 537896411 /nfs/dbraw/zinc/89/64/11/537896411.db2.gz JHFLPXIBVGFZKK-SCZZXKLOSA-N 0 0 184.279 2.153 10 0 AEAERN Clc1cc(C2CC2)cc2ncnn12 725246396 537896829 /nfs/dbraw/zinc/89/68/29/537896829.db2.gz YTCUOCOLUOGCGL-UHFFFAOYSA-N 0 0 193.637 2.260 10 0 AEAERN CCC(C)(C)[C@H]1CCC(=O)[C@H](O)C1 725245517 537897228 /nfs/dbraw/zinc/89/72/28/537897228.db2.gz JHFLPXIBVGFZKK-WCBMZHEXSA-N 0 0 184.279 2.153 10 0 AEAERN CCC(C)(C)[C@@H]1CCC(=O)[C@H](O)C1 725245514 537897474 /nfs/dbraw/zinc/89/74/74/537897474.db2.gz JHFLPXIBVGFZKK-PSASIEDQSA-N 0 0 184.279 2.153 10 0 AEAERN Cc1nc2cc(C)c(C)c(Cl)n2n1 725246556 537897763 /nfs/dbraw/zinc/89/77/63/537897763.db2.gz PKYPAOOJGRLEIB-UHFFFAOYSA-N 0 0 195.653 2.308 10 0 AEAERN CCC(CC)n1c(C)c(N)ccc1=O 725247375 537898699 /nfs/dbraw/zinc/89/86/99/537898699.db2.gz OLMQAULGACDAGO-UHFFFAOYSA-N 0 0 194.278 2.100 10 0 AEAERN CCC[C@@H](C)n1cc(N)c(C)cc1=O 725247326 537899423 /nfs/dbraw/zinc/89/94/23/537899423.db2.gz JHOLXLHFOJVDJP-SECBINFHSA-N 0 0 194.278 2.100 10 0 AEAERN CCC[C@H](C)n1cc(N)c(C)cc1=O 725247327 537899631 /nfs/dbraw/zinc/89/96/31/537899631.db2.gz JHOLXLHFOJVDJP-VIFPVBQESA-N 0 0 194.278 2.100 10 0 AEAERN CCC[C@@H](C)n1c(C)c(N)ccc1=O 725247420 537899700 /nfs/dbraw/zinc/89/97/00/537899700.db2.gz VOQUOJMTDDGTRD-MRVPVSSYSA-N 0 0 194.278 2.100 10 0 AEAERN CCc1cc(Cl)n2nc(C)nc2c1 725246872 537900293 /nfs/dbraw/zinc/90/02/93/537900293.db2.gz ZNDWTHIQZPPKSP-UHFFFAOYSA-N 0 0 195.653 2.254 10 0 AEAERN CC1(Cn2cnc(N)c2)CCCC1 725248875 537903548 /nfs/dbraw/zinc/90/35/48/537903548.db2.gz LKMLWICUFQSEGN-UHFFFAOYSA-N 0 0 179.267 2.046 10 0 AEAERN C[C@@H]1CCC[C@@H](Cn2cnc(N)c2)C1 725249067 537906456 /nfs/dbraw/zinc/90/64/56/537906456.db2.gz CUTLHHSEFDIOFS-NXEZZACHSA-N 0 0 193.294 2.292 10 0 AEAERN CC(C)(C)CCCn1cnc(N)c1 725248572 537901081 /nfs/dbraw/zinc/90/10/81/537901081.db2.gz XMKMNBGCLKSBQS-UHFFFAOYSA-N 0 0 181.283 2.292 10 0 AEAERN CCC(CC)n1cc(N)c(C)cc1=O 725247235 537901160 /nfs/dbraw/zinc/90/11/60/537901160.db2.gz DQXFOXDWAKDOLW-UHFFFAOYSA-N 0 0 194.278 2.100 10 0 AEAERN CCC[C@H](C)n1c(C)c(N)ccc1=O 725247421 537901444 /nfs/dbraw/zinc/90/14/44/537901444.db2.gz VOQUOJMTDDGTRD-QMMMGPOBSA-N 0 0 194.278 2.100 10 0 AEAERN Nc1cn(CCC2CCCC2)cn1 725248530 537901669 /nfs/dbraw/zinc/90/16/69/537901669.db2.gz OBDWDDIWFBDYLH-UHFFFAOYSA-N 0 0 179.267 2.046 10 0 AEAERN COCCCNc1cc(C)ccc1N 83824123 537901765 /nfs/dbraw/zinc/90/17/65/537901765.db2.gz ZCMYCVWPTBECMW-UHFFFAOYSA-N 0 0 194.278 2.026 10 0 AEAERN CC1CCC(n2cnc(N)c2)CC1 725248506 537902040 /nfs/dbraw/zinc/90/20/40/537902040.db2.gz MTWXFHOSYHCKME-UHFFFAOYSA-N 0 0 179.267 2.217 10 0 AEAERN C[C@@H]1CCC[C@H](n2cnc(N)c2)C1 725248868 537903134 /nfs/dbraw/zinc/90/31/34/537903134.db2.gz KNTZJYCNXZLQPI-BDAKNGLRSA-N 0 0 179.267 2.217 10 0 AEAERN Nc1cn(CC2CCCCC2)cn1 725248730 537903195 /nfs/dbraw/zinc/90/31/95/537903195.db2.gz XZBVQESFZKSNDU-UHFFFAOYSA-N 0 0 179.267 2.046 10 0 AEAERN CC1(Cn2ccc(N)n2)CCCCC1 725249307 537903315 /nfs/dbraw/zinc/90/33/15/537903315.db2.gz LDXCWOLJXPWLTI-UHFFFAOYSA-N 0 0 193.294 2.436 10 0 AEAERN CC[C@H](C)[C@H](C)n1cccc(N)c1=O 725249224 537903372 /nfs/dbraw/zinc/90/33/72/537903372.db2.gz FQAGKOLCRQOQIT-IUCAKERBSA-N 0 0 194.278 2.038 10 0 AEAERN CC1CCC(Cn2cnc(N)c2)CC1 725249064 537903568 /nfs/dbraw/zinc/90/35/68/537903568.db2.gz CFVHOHYQGNCRNB-UHFFFAOYSA-N 0 0 193.294 2.292 10 0 AEAERN CC1(Cn2cc(N)cn2)CCCCC1 725249332 537903766 /nfs/dbraw/zinc/90/37/66/537903766.db2.gz YYTLXAUKUVFFTE-UHFFFAOYSA-N 0 0 193.294 2.436 10 0 AEAERN C[C@H]1C[C@@H](C)C[C@H](n2cnc(N)c2)C1 725249190 537903826 /nfs/dbraw/zinc/90/38/26/537903826.db2.gz XRTLEDKHLZBNLE-MYJAWHEDSA-N 0 0 193.294 2.463 10 0 AEAERN Nc1cn(C2CCCCCC2)cn1 725249147 537903843 /nfs/dbraw/zinc/90/38/43/537903843.db2.gz PCTQZGGSBVNXSG-UHFFFAOYSA-N 0 0 179.267 2.361 10 0 AEAERN CC(C)C[C@@H](C)n1ccc(=O)c(N)c1 725248978 537904016 /nfs/dbraw/zinc/90/40/16/537904016.db2.gz DZSSNOPPDRVDNL-SECBINFHSA-N 0 0 194.278 2.038 10 0 AEAERN C[C@@H]1CC[C@H](n2cnc(N)c2)C[C@H]1C 725249088 537904058 /nfs/dbraw/zinc/90/40/58/537904058.db2.gz HFYAYMRSOMHJNL-BBBLOLIVSA-N 0 0 193.294 2.463 10 0 AEAERN CC(C)C[C@H](C)n1cccc(N)c1=O 725249048 537904103 /nfs/dbraw/zinc/90/41/03/537904103.db2.gz VUFBFHWYPJNODQ-VIFPVBQESA-N 0 0 194.278 2.038 10 0 AEAERN CC[C@H](C)[C@@H](C)n1ccc(=O)c(N)c1 725249213 537904114 /nfs/dbraw/zinc/90/41/14/537904114.db2.gz CSZOIZFIRJBLDI-DTWKUNHWSA-N 0 0 194.278 2.038 10 0 AEAERN C[C@@H]1CC[C@@H](n2cnc(N)c2)C[C@H]1C 725249090 537904148 /nfs/dbraw/zinc/90/41/48/537904148.db2.gz HFYAYMRSOMHJNL-OPRDCNLKSA-N 0 0 193.294 2.463 10 0 AEAERN C[C@@H]1CCC[C@H](Cn2cnc(N)c2)C1 725249070 537904183 /nfs/dbraw/zinc/90/41/83/537904183.db2.gz CUTLHHSEFDIOFS-ZJUUUORDSA-N 0 0 193.294 2.292 10 0 AEAERN C[C@H]1C[C@H](n2cnc(N)c2)CC[C@H]1C 725249089 537904220 /nfs/dbraw/zinc/90/42/20/537904220.db2.gz HFYAYMRSOMHJNL-KXUCPTDWSA-N 0 0 193.294 2.463 10 0 AEAERN CC(C)C[C@@H](C)n1cnc(N)c1 725248988 537904359 /nfs/dbraw/zinc/90/43/59/537904359.db2.gz IEGFUYRFSHXDEZ-MRVPVSSYSA-N 0 0 167.256 2.072 10 0 AEAERN Nc1cn(CCC2CCCCC2)cn1 725249170 537904449 /nfs/dbraw/zinc/90/44/49/537904449.db2.gz SUIZJGJJFMKXLG-UHFFFAOYSA-N 0 0 193.294 2.436 10 0 AEAERN C[C@@H]1CC(n2cnc(N)c2)C[C@@H](C)C1 725249189 537904517 /nfs/dbraw/zinc/90/45/17/537904517.db2.gz XRTLEDKHLZBNLE-IUCAKERBSA-N 0 0 193.294 2.463 10 0 AEAERN CC[C@H](C)[C@H](C)n1cc(N)ccc1=O 725249240 537904526 /nfs/dbraw/zinc/90/45/26/537904526.db2.gz HDJWKNVOBALTNX-IUCAKERBSA-N 0 0 194.278 2.038 10 0 AEAERN CC[C@@H](C)[C@@H](C)n1cccc(N)c1=O 725249225 537904656 /nfs/dbraw/zinc/90/46/56/537904656.db2.gz FQAGKOLCRQOQIT-RKDXNWHRSA-N 0 0 194.278 2.038 10 0 AEAERN CC(C)C[C@H](C)Cn1cnc(N)c1 725249186 537904622 /nfs/dbraw/zinc/90/46/22/537904622.db2.gz WLTLMUUSWLEJGL-VIFPVBQESA-N 0 0 181.283 2.148 10 0 AEAERN CC(C)C[C@@H](C)n1cccc(N)c1=O 725249047 537904751 /nfs/dbraw/zinc/90/47/51/537904751.db2.gz VUFBFHWYPJNODQ-SECBINFHSA-N 0 0 194.278 2.038 10 0 AEAERN C[C@H]1CCC[C@@H](Cn2cnc(N)c2)C1 725249069 537904802 /nfs/dbraw/zinc/90/48/02/537904802.db2.gz CUTLHHSEFDIOFS-VHSXEESVSA-N 0 0 193.294 2.292 10 0 AEAERN CC[C@@H](C)[C@H](C)n1cc(N)ccc1=O 725249238 537904970 /nfs/dbraw/zinc/90/49/70/537904970.db2.gz HDJWKNVOBALTNX-BDAKNGLRSA-N 0 0 194.278 2.038 10 0 AEAERN CC(C)C[C@@H](C)Cn1cnc(N)c1 725249185 537905026 /nfs/dbraw/zinc/90/50/26/537905026.db2.gz WLTLMUUSWLEJGL-SECBINFHSA-N 0 0 181.283 2.148 10 0 AEAERN CC[C@@H](C)[C@@H](C)n1cc(N)ccc1=O 725249241 537905371 /nfs/dbraw/zinc/90/53/71/537905371.db2.gz HDJWKNVOBALTNX-RKDXNWHRSA-N 0 0 194.278 2.038 10 0 AEAERN CCCCCCn1cnc(N)c1 725248921 537905530 /nfs/dbraw/zinc/90/55/30/537905530.db2.gz FKMKQTPRPDJOGX-UHFFFAOYSA-N 0 0 167.256 2.046 10 0 AEAERN CC[C@H](C)[C@H](C)n1ccc(=O)c(N)c1 725249214 537905550 /nfs/dbraw/zinc/90/55/50/537905550.db2.gz CSZOIZFIRJBLDI-IUCAKERBSA-N 0 0 194.278 2.038 10 0 AEAERN CC(C)C[C@H](C)n1ccc(=O)c(N)c1 725248979 537905575 /nfs/dbraw/zinc/90/55/75/537905575.db2.gz DZSSNOPPDRVDNL-VIFPVBQESA-N 0 0 194.278 2.038 10 0 AEAERN CC[C@H](C)[C@@H](C)n1cccc(N)c1=O 725249223 537905617 /nfs/dbraw/zinc/90/56/17/537905617.db2.gz FQAGKOLCRQOQIT-DTWKUNHWSA-N 0 0 194.278 2.038 10 0 AEAERN CC(C)C[C@@H](C)n1cc(N)ccc1=O 725249008 537905710 /nfs/dbraw/zinc/90/57/10/537905710.db2.gz LYXRDPMVFMDLGU-SECBINFHSA-N 0 0 194.278 2.038 10 0 AEAERN C[C@H]1CC(n2cnc(N)c2)C[C@H](C)C1 725249191 537905777 /nfs/dbraw/zinc/90/57/77/537905777.db2.gz XRTLEDKHLZBNLE-RKDXNWHRSA-N 0 0 193.294 2.463 10 0 AEAERN C[C@H]1C[C@@H](n2cnc(N)c2)CC[C@H]1C 725249091 537905864 /nfs/dbraw/zinc/90/58/64/537905864.db2.gz HFYAYMRSOMHJNL-UTLUCORTSA-N 0 0 193.294 2.463 10 0 AEAERN CC[C@@H](C)[C@H](C)n1cccc(N)c1=O 725249222 537905877 /nfs/dbraw/zinc/90/58/77/537905877.db2.gz FQAGKOLCRQOQIT-BDAKNGLRSA-N 0 0 194.278 2.038 10 0 AEAERN CC[C@@H](C)[C@H](C)n1ccc(=O)c(N)c1 725249212 537905996 /nfs/dbraw/zinc/90/59/96/537905996.db2.gz CSZOIZFIRJBLDI-BDAKNGLRSA-N 0 0 194.278 2.038 10 0 AEAERN CC[C@@H](C)[C@@H](C)n1ccc(=O)c(N)c1 725249215 537906032 /nfs/dbraw/zinc/90/60/32/537906032.db2.gz CSZOIZFIRJBLDI-RKDXNWHRSA-N 0 0 194.278 2.038 10 0 AEAERN CCC1(Cn2cnc(N)c2)CCC1 725248832 537906090 /nfs/dbraw/zinc/90/60/90/537906090.db2.gz AZXCHHSNANVAAP-UHFFFAOYSA-N 0 0 179.267 2.046 10 0 AEAERN CC[C@H](C)[C@@H](C)n1cc(N)ccc1=O 725249239 537906100 /nfs/dbraw/zinc/90/61/00/537906100.db2.gz HDJWKNVOBALTNX-DTWKUNHWSA-N 0 0 194.278 2.038 10 0 AEAERN CC(C)C[C@H](C)n1cnc(N)c1 725248989 537906107 /nfs/dbraw/zinc/90/61/07/537906107.db2.gz IEGFUYRFSHXDEZ-QMMMGPOBSA-N 0 0 167.256 2.072 10 0 AEAERN C[C@@H]1CCC[C@@H](n2cnc(N)c2)C1 725248871 537906182 /nfs/dbraw/zinc/90/61/82/537906182.db2.gz KNTZJYCNXZLQPI-RKDXNWHRSA-N 0 0 179.267 2.217 10 0 AEAERN C[C@H]1CCC[C@H](n2cnc(N)c2)C1 725248870 537906385 /nfs/dbraw/zinc/90/63/85/537906385.db2.gz KNTZJYCNXZLQPI-IUCAKERBSA-N 0 0 179.267 2.217 10 0 AEAERN CC(C)C[C@H](C)n1cc(N)ccc1=O 725249009 537906547 /nfs/dbraw/zinc/90/65/47/537906547.db2.gz LYXRDPMVFMDLGU-VIFPVBQESA-N 0 0 194.278 2.038 10 0 AEAERN C[C@H]1CCC[C@H](Cn2cnc(N)c2)C1 725249068 537906559 /nfs/dbraw/zinc/90/65/59/537906559.db2.gz CUTLHHSEFDIOFS-UWVGGRQHSA-N 0 0 193.294 2.292 10 0 AEAERN C[C@H]1CCC[C@@H](n2cnc(N)c2)C1 725248869 537906775 /nfs/dbraw/zinc/90/67/75/537906775.db2.gz KNTZJYCNXZLQPI-DTWKUNHWSA-N 0 0 179.267 2.217 10 0 AEAERN CC1CC(Cn2cc(Cl)c(N)n2)C1 725249700 537907176 /nfs/dbraw/zinc/90/71/76/537907176.db2.gz AKECDZJWDJHHDA-UHFFFAOYSA-N 0 0 199.685 2.165 10 0 AEAERN CC[C@H](C)[C@H](C)n1ncc(N)c1C 725249406 537907187 /nfs/dbraw/zinc/90/71/87/537907187.db2.gz MXCJOVALDXVSHS-YUMQZZPRSA-N 0 0 181.283 2.381 10 0 AEAERN CC1(CCCn2ccc(N)n2)CC1 725249836 537907384 /nfs/dbraw/zinc/90/73/84/537907384.db2.gz KJGAVGFWVUVOHB-UHFFFAOYSA-N 0 0 179.267 2.046 10 0 AEAERN CC1(CCCn2cc(N)cn2)CC1 725249810 537908153 /nfs/dbraw/zinc/90/81/53/537908153.db2.gz HWDZJMYDXBSNGT-UHFFFAOYSA-N 0 0 179.267 2.046 10 0 AEAERN Cc1c(N)cnn1[C@H](C)CC(C)C 725249456 537908232 /nfs/dbraw/zinc/90/82/32/537908232.db2.gz VSAXZNNEMNQMSO-MRVPVSSYSA-N 0 0 181.283 2.381 10 0 AEAERN CC[C@@H](C)[C@H](C)n1ncc(N)c1C 725249405 537908281 /nfs/dbraw/zinc/90/82/81/537908281.db2.gz MXCJOVALDXVSHS-SFYZADRCSA-N 0 0 181.283 2.381 10 0 AEAERN CCCC[C@@H](CC)Cn1ncc(N)n1 725249809 537908494 /nfs/dbraw/zinc/90/84/94/537908494.db2.gz NXJLJROIGWZGIR-SECBINFHSA-N 0 0 196.298 2.077 10 0 AEAERN CCC1CCC(n2ncc(N)n2)CC1 725249610 537908513 /nfs/dbraw/zinc/90/85/13/537908513.db2.gz CZCYDCLDQQJOQR-UHFFFAOYSA-N 0 0 194.282 2.002 10 0 AEAERN Cc1c(N)cnn1[C@@H](C)CC(C)C 725249457 537908758 /nfs/dbraw/zinc/90/87/58/537908758.db2.gz VSAXZNNEMNQMSO-QMMMGPOBSA-N 0 0 181.283 2.381 10 0 AEAERN CCC[C@@H](C)n1ncc(N)c1C 725249421 537908799 /nfs/dbraw/zinc/90/87/99/537908799.db2.gz HCQJKIAGIFMLNJ-SSDOTTSWSA-N 0 0 167.256 2.135 10 0 AEAERN CC[C@H](C)[C@@H](C)n1ncc(N)c1C 725249404 537908834 /nfs/dbraw/zinc/90/88/34/537908834.db2.gz MXCJOVALDXVSHS-JGVFFNPUSA-N 0 0 181.283 2.381 10 0 AEAERN CCC[C@H](C)n1ncc(N)c1C 725249422 537909203 /nfs/dbraw/zinc/90/92/03/537909203.db2.gz HCQJKIAGIFMLNJ-ZETCQYMHSA-N 0 0 167.256 2.135 10 0 AEAERN Cc1cc(N)nn1CCCC1(C)CC1 725249708 537909217 /nfs/dbraw/zinc/90/92/17/537909217.db2.gz BAKXZZKKLNZXJM-UHFFFAOYSA-N 0 0 193.294 2.354 10 0 AEAERN CCCC[C@H](CC)Cn1ncc(N)n1 725249811 537909489 /nfs/dbraw/zinc/90/94/89/537909489.db2.gz NXJLJROIGWZGIR-VIFPVBQESA-N 0 0 196.298 2.077 10 0 AEAERN CC[C@@H](C)[C@@H](C)n1ncc(N)c1C 725249403 537909683 /nfs/dbraw/zinc/90/96/83/537909683.db2.gz MXCJOVALDXVSHS-HTQZYQBOSA-N 0 0 181.283 2.381 10 0 AEAERN CC[C@H]1CCC[C@H](n2ncc(N)n2)C1 725250095 537910357 /nfs/dbraw/zinc/91/03/57/537910357.db2.gz VHGQYKZEAFGOHL-IUCAKERBSA-N 0 0 194.282 2.002 10 0 AEAERN CC1(C)C[C@H]1CCCn1cc(N)cn1 725250063 537910430 /nfs/dbraw/zinc/91/04/30/537910430.db2.gz WMQNIPRCDARSFU-SECBINFHSA-N 0 0 193.294 2.292 10 0 AEAERN CC[C@H]1CCCC[C@@H]1n1ncc(N)n1 725249917 537910459 /nfs/dbraw/zinc/91/04/59/537910459.db2.gz QOTHFMUWIVENOL-IUCAKERBSA-N 0 0 194.282 2.002 10 0 AEAERN Cc1cn(CCCC2(C)CC2)nc1N 725250071 537910483 /nfs/dbraw/zinc/91/04/83/537910483.db2.gz WUHHKJFVQUQRPK-UHFFFAOYSA-N 0 0 193.294 2.354 10 0 AEAERN [NH3+]C[C@@H](CC1CCCCCC1)C(=O)[O-] 84328289 537910548 /nfs/dbraw/zinc/91/05/48/537910548.db2.gz ULYXSYRIYOJOMI-SNVBAGLBSA-N 0 0 199.294 2.006 10 0 AEAERN Cc1c(N)cnn1CCCC1(C)CC1 725250033 537910598 /nfs/dbraw/zinc/91/05/98/537910598.db2.gz TWLKGLJXWFOMFV-UHFFFAOYSA-N 0 0 193.294 2.354 10 0 AEAERN C[C@H](Cn1cc(Cl)c(N)n1)C1CC1 725250082 537910846 /nfs/dbraw/zinc/91/08/46/537910846.db2.gz WZFSAQMYHGEEJQ-ZCFIWIBFSA-N 0 0 199.685 2.165 10 0 AEAERN CC[C@@H]1CCC[C@H](n2ncc(N)n2)C1 725250087 537910945 /nfs/dbraw/zinc/91/09/45/537910945.db2.gz VHGQYKZEAFGOHL-BDAKNGLRSA-N 0 0 194.282 2.002 10 0 AEAERN CC1(C)C[C@@H]1CCCn1ccc(N)n1 725250032 537911081 /nfs/dbraw/zinc/91/10/81/537911081.db2.gz TVAUKQBVIVKEKH-VIFPVBQESA-N 0 0 193.294 2.292 10 0 AEAERN CC[C@@H]1CCCC[C@H]1n1ncc(N)n1 725249925 537911118 /nfs/dbraw/zinc/91/11/18/537911118.db2.gz QOTHFMUWIVENOL-RKDXNWHRSA-N 0 0 194.282 2.002 10 0 AEAERN Cc1nn(C[C@@H](C)C2CC2)c(C)c1N 725250003 537911174 /nfs/dbraw/zinc/91/11/74/537911174.db2.gz PUFZQHMTFTVCCX-SSDOTTSWSA-N 0 0 193.294 2.128 10 0 AEAERN [NH3+]C[C@H](CC1CCCCCC1)C(=O)[O-] 84328287 537911505 /nfs/dbraw/zinc/91/15/05/537911505.db2.gz ULYXSYRIYOJOMI-JTQLQIEISA-N 0 0 199.294 2.006 10 0 AEAERN Cc1nn(C[C@H](C)C2CC2)c(C)c1N 725250005 537911673 /nfs/dbraw/zinc/91/16/73/537911673.db2.gz PUFZQHMTFTVCCX-ZETCQYMHSA-N 0 0 193.294 2.128 10 0 AEAERN C[C@@H](Cn1cc(Cl)c(N)n1)C1CC1 725250080 537911681 /nfs/dbraw/zinc/91/16/81/537911681.db2.gz WZFSAQMYHGEEJQ-LURJTMIESA-N 0 0 199.685 2.165 10 0 AEAERN CC1(C)C[C@@H]1CCCn1cc(N)cn1 725250064 537911847 /nfs/dbraw/zinc/91/18/47/537911847.db2.gz WMQNIPRCDARSFU-VIFPVBQESA-N 0 0 193.294 2.292 10 0 AEAERN CC[C@@H]1CCCC[C@@H]1n1ncc(N)n1 725249915 537912049 /nfs/dbraw/zinc/91/20/49/537912049.db2.gz QOTHFMUWIVENOL-BDAKNGLRSA-N 0 0 194.282 2.002 10 0 AEAERN CC[C@H]1CCCC[C@H]1n1ncc(N)n1 725249916 537912092 /nfs/dbraw/zinc/91/20/92/537912092.db2.gz QOTHFMUWIVENOL-DTWKUNHWSA-N 0 0 194.282 2.002 10 0 AEAERN Cc1nn(CCCC2(C)CC2)cc1N 725250053 537912242 /nfs/dbraw/zinc/91/22/42/537912242.db2.gz WCQQTICQWNLXJN-UHFFFAOYSA-N 0 0 193.294 2.354 10 0 AEAERN CC1(C)C[C@H]1CCCn1ccc(N)n1 725250031 537912363 /nfs/dbraw/zinc/91/23/63/537912363.db2.gz TVAUKQBVIVKEKH-SECBINFHSA-N 0 0 193.294 2.292 10 0 AEAERN CC[C@@H]1CCC[C@@H](n2ncc(N)n2)C1 725250096 537912559 /nfs/dbraw/zinc/91/25/59/537912559.db2.gz VHGQYKZEAFGOHL-RKDXNWHRSA-N 0 0 194.282 2.002 10 0 AEAERN CC[C@H]1CCC[C@@H](n2ncc(N)n2)C1 725250094 537912593 /nfs/dbraw/zinc/91/25/93/537912593.db2.gz VHGQYKZEAFGOHL-DTWKUNHWSA-N 0 0 194.282 2.002 10 0 AEAERN CC(C)CCCCCn1ncc(N)n1 725251079 537913906 /nfs/dbraw/zinc/91/39/06/537913906.db2.gz WUOGABUNCHMPCX-UHFFFAOYSA-N 0 0 196.298 2.077 10 0 AEAERN Cc1cc2s[nH]c(=O)c2cc1F 725254084 537917308 /nfs/dbraw/zinc/91/73/08/537917308.db2.gz GTGWIAZDSQREBF-UHFFFAOYSA-N 0 0 183.207 2.449 10 0 AEAERN COc1c(F)ccc2s[nH]c(=O)c12 725254090 537917328 /nfs/dbraw/zinc/91/73/28/537917328.db2.gz HBDOPXSFXUTXPX-UHFFFAOYSA-N 0 0 199.206 2.150 10 0 AEAERN CC1(CCC[C@@H](O)c2cn[nH]c2)CC1 725253628 537917529 /nfs/dbraw/zinc/91/75/29/537917529.db2.gz BJUOPALJSCZMSD-SNVBAGLBSA-N 0 0 194.278 2.414 10 0 AEAERN Nc1csc2ccc(O)cc12 725253335 537917946 /nfs/dbraw/zinc/91/79/46/537917946.db2.gz GLWMZHLCBXMTEF-UHFFFAOYSA-N 0 0 165.217 2.189 10 0 AEAERN CC1(CCC[C@H](O)c2cn[nH]c2)CC1 725253626 537917967 /nfs/dbraw/zinc/91/79/67/537917967.db2.gz BJUOPALJSCZMSD-JTQLQIEISA-N 0 0 194.278 2.414 10 0 AEAERN F/C(=C/c1cncnc1)C(F)(F)F 725255091 537918079 /nfs/dbraw/zinc/91/80/79/537918079.db2.gz RMBCDZOYCIVABD-LZCJLJQNSA-N 0 0 192.115 2.349 10 0 AEAERN Cc1nc(-n2cc(Cl)cn2)cs1 725253291 537918155 /nfs/dbraw/zinc/91/81/55/537918155.db2.gz AKWAIIUXDPFVHG-UHFFFAOYSA-N 0 0 199.666 2.291 10 0 AEAERN Cc1cc2c(=O)[nH]sc2cc1F 725254066 537918321 /nfs/dbraw/zinc/91/83/21/537918321.db2.gz FEAYKFIHCVHZDI-UHFFFAOYSA-N 0 0 183.207 2.449 10 0 AEAERN O=c1[nH]sc2c(F)c(F)ccc12 725254046 537918545 /nfs/dbraw/zinc/91/85/45/537918545.db2.gz CQWRBHASMMXQDW-UHFFFAOYSA-N 0 0 187.170 2.280 10 0 AEAERN Cc1ccc2s[nH]c(=O)c2c1F 725254152 537918823 /nfs/dbraw/zinc/91/88/23/537918823.db2.gz NWOKSIZUFBTRBQ-UHFFFAOYSA-N 0 0 183.207 2.449 10 0 AEAERN O=c1[nH]sc2cc(F)c(F)cc12 725254100 537918961 /nfs/dbraw/zinc/91/89/61/537918961.db2.gz IFCFNDBRGNAFIE-UHFFFAOYSA-N 0 0 187.170 2.280 10 0 AEAERN Cc1ccc2c(=O)[nH]sc2c1F 725254148 537919162 /nfs/dbraw/zinc/91/91/62/537919162.db2.gz NIRQVUBJUURMHK-UHFFFAOYSA-N 0 0 183.207 2.449 10 0 AEAERN Nc1cccc2c(C=O)csc12 725253489 537919548 /nfs/dbraw/zinc/91/95/48/537919548.db2.gz MSKYRGOHIOCOJC-UHFFFAOYSA-N 0 0 177.228 2.296 10 0 AEAERN Cc1ccc(F)c2c(=O)[nH]sc12 725254050 537920105 /nfs/dbraw/zinc/92/01/05/537920105.db2.gz CXQRKOAVCWVNTF-UHFFFAOYSA-N 0 0 183.207 2.449 10 0 AEAERN O=c1[nH]sc2cc(F)cc(F)c12 725254171 537920111 /nfs/dbraw/zinc/92/01/11/537920111.db2.gz PJOZQUBCJZRHGH-UHFFFAOYSA-N 0 0 187.170 2.280 10 0 AEAERN Nc1cnc2[nH]c(C3CC3)cc2c1 725254272 537920148 /nfs/dbraw/zinc/92/01/48/537920148.db2.gz QKXIJPRVWMBOBG-UHFFFAOYSA-N 0 0 173.219 2.023 10 0 AEAERN Cc1noc(C2CCCC2)c1C=O 725255727 537921403 /nfs/dbraw/zinc/92/14/03/537921403.db2.gz JYCJIQOAJIXEDS-UHFFFAOYSA-N 0 0 179.219 2.453 10 0 AEAERN Cc1noc(C2CCCC2)c1CO 725256140 537923042 /nfs/dbraw/zinc/92/30/42/537923042.db2.gz VAJWYMCMOZTFBY-UHFFFAOYSA-N 0 0 181.235 2.133 10 0 AEAERN CC(C(=O)[C@H]1C[C@H]1C)=C(O)C1CCC1 725258405 537924404 /nfs/dbraw/zinc/92/44/04/537924404.db2.gz QEANXKJVCZPHMX-MRTMQBJTSA-N 0 0 194.274 2.217 10 0 AEAERN CC(C)(Cl)[C@H]1CCCOC1 725261471 537924453 /nfs/dbraw/zinc/92/44/53/537924453.db2.gz RAYZMBFDOQMHHJ-ZETCQYMHSA-N 0 0 162.660 2.430 10 0 AEAERN CC(C(=O)[C@H]1C[C@@H]1C)=C(O)C1CCC1 725258408 537924554 /nfs/dbraw/zinc/92/45/54/537924554.db2.gz QEANXKJVCZPHMX-XKSSXDPKSA-N 0 0 194.274 2.217 10 0 AEAERN Nc1ccnc2[nH]cc(C3CC3)c12 725259694 537924567 /nfs/dbraw/zinc/92/45/67/537924567.db2.gz HDFQDZPQAOJYHE-UHFFFAOYSA-N 0 0 173.219 2.023 10 0 AEAERN Cc1cccc([C@]2(CO)C[C@H](F)C2)c1 725260828 537924732 /nfs/dbraw/zinc/92/47/32/537924732.db2.gz XITHEQNUERTFNN-TXEJJXNPSA-N 0 0 194.249 2.357 10 0 AEAERN O=C(C=C(O)C1CCC1)C1CCC1 725258404 537924867 /nfs/dbraw/zinc/92/48/67/537924867.db2.gz PLCBJEVJEIODNM-UHFFFAOYSA-N 0 0 180.247 2.115 10 0 AEAERN OC[C@]1(c2ccccc2F)C[C@@H](F)C1 725260606 537924881 /nfs/dbraw/zinc/92/48/81/537924881.db2.gz UJZYQQMZTFOWBD-DKTWLAJQSA-N 0 0 198.212 2.188 10 0 AEAERN CCCCCCc1n[nH]cc1N 725261242 537924893 /nfs/dbraw/zinc/92/48/93/537924893.db2.gz YODWOEGDDULPNM-UHFFFAOYSA-N 0 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537999088 /nfs/dbraw/zinc/99/90/88/537999088.db2.gz BVXVEMASQVGKHG-UHFFFAOYSA-N 0 0 138.191 2.204 10 0 AEAERN CC(C)c1ccccc1N(C)CCO 145232363 537999115 /nfs/dbraw/zinc/99/91/15/537999115.db2.gz YTJFEYODPIJIPU-UHFFFAOYSA-N 0 0 193.290 2.239 10 0 AEAERN C[C@@H](CO)CSc1ccccc1O 146873316 537999230 /nfs/dbraw/zinc/99/92/30/537999230.db2.gz XANGYAPACJTNHX-QMMMGPOBSA-N 0 0 198.287 2.113 10 0 AEAERN CC(C)C[C@H](C)C(=O)NC(C)C 144891640 538000156 /nfs/dbraw/zinc/00/01/56/538000156.db2.gz DQJFZZHKLNRIHD-VIFPVBQESA-N 0 0 171.284 2.193 10 0 AEAERN CCC(C)(C)c1ccc(C(N)=O)cc1 146204018 538000846 /nfs/dbraw/zinc/00/08/46/538000846.db2.gz NNZASLXQUBORKQ-UHFFFAOYSA-N 0 0 191.274 2.473 10 0 AEAERN CC(C)C[C@@H](C)C(=O)NC(C)C 144891443 538000959 /nfs/dbraw/zinc/00/09/59/538000959.db2.gz DQJFZZHKLNRIHD-SECBINFHSA-N 0 0 171.284 2.193 10 0 AEAERN NC(=O)Nc1ccc(C2CC2)cc1 146397754 538001739 /nfs/dbraw/zinc/00/17/39/538001739.db2.gz HLYPOXVWHYLHJN-UHFFFAOYSA-N 0 0 176.219 2.055 10 0 AEAERN C[C@H](CO)CSc1ccccc1O 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FDYFKFVCUNIMEJ-SNVBAGLBSA-N 0 0 193.290 2.344 10 0 AEAERN Cc1cccc(NC[C@H](C)CO)c1C 160873193 538050293 /nfs/dbraw/zinc/05/02/93/538050293.db2.gz RNVJAWJHLACZIV-VIFPVBQESA-N 0 0 193.290 2.344 10 0 AEAERN C[C@H](CO)CSc1cccs1 160828318 538050362 /nfs/dbraw/zinc/05/03/62/538050362.db2.gz MMLAXPNECAYJDZ-SSDOTTSWSA-N 0 0 188.317 2.469 10 0 AEAERN Cc1cc(F)cc(NC[C@H](C)CO)c1 160887625 538050457 /nfs/dbraw/zinc/05/04/57/538050457.db2.gz UHZZGLBAYSWAPA-VIFPVBQESA-N 0 0 197.253 2.174 10 0 AEAERN Cc1ccc(F)cc1NC[C@@H](C)CO 160875838 538050748 /nfs/dbraw/zinc/05/07/48/538050748.db2.gz CGQOJHQIKBLZNW-MRVPVSSYSA-N 0 0 197.253 2.174 10 0 AEAERN Cc1ccc(C)c(NC[C@H](C)CO)c1 160872268 538050863 /nfs/dbraw/zinc/05/08/63/538050863.db2.gz FDYFKFVCUNIMEJ-JTQLQIEISA-N 0 0 193.290 2.344 10 0 AEAERN Cc1ccccc1NC[C@@H](C)CO 160872486 538051002 /nfs/dbraw/zinc/05/10/02/538051002.db2.gz OHUBJIZROUEXFE-SECBINFHSA-N 0 0 179.263 2.035 10 0 AEAERN Cc1c(F)cccc1NC[C@H](C)CO 160886421 538051366 /nfs/dbraw/zinc/05/13/66/538051366.db2.gz RBBDOJVKNSKZCM-QMMMGPOBSA-N 0 0 197.253 2.174 10 0 AEAERN Cc1cc(F)ccc1NC[C@H](C)CO 160877528 538051397 /nfs/dbraw/zinc/05/13/97/538051397.db2.gz BHORCFUGZXSICS-QMMMGPOBSA-N 0 0 197.253 2.174 10 0 AEAERN Cc1cccc(C)c1NC[C@@H](C)CO 160878771 538051444 /nfs/dbraw/zinc/05/14/44/538051444.db2.gz QHOUXUDKPIILEG-SECBINFHSA-N 0 0 193.290 2.344 10 0 AEAERN Cc1ccc(NC[C@@H](C)CO)cc1F 160876150 538051486 /nfs/dbraw/zinc/05/14/86/538051486.db2.gz JFEWDXLDKBOFDV-MRVPVSSYSA-N 0 0 197.253 2.174 10 0 AEAERN Cc1ccc(NC[C@H](C)CO)cc1C 160880182 538051669 /nfs/dbraw/zinc/05/16/69/538051669.db2.gz DIKYSSFASICGKR-VIFPVBQESA-N 0 0 193.290 2.344 10 0 AEAERN Cc1cc(F)cc(NC[C@@H](C)CO)c1 160887478 538051703 /nfs/dbraw/zinc/05/17/03/538051703.db2.gz UHZZGLBAYSWAPA-SECBINFHSA-N 0 0 197.253 2.174 10 0 AEAERN Cc1ccc(F)c(NC[C@@H](C)CO)c1 161849181 538064245 /nfs/dbraw/zinc/06/42/45/538064245.db2.gz OBHSILGJNSGWOB-SECBINFHSA-N 0 0 197.253 2.174 10 0 AEAERN Cc1ccc(F)c(NC[C@H](C)CO)c1 161849313 538067115 /nfs/dbraw/zinc/06/71/15/538067115.db2.gz OBHSILGJNSGWOB-VIFPVBQESA-N 0 0 197.253 2.174 10 0 AEAERN CCn1cc(OCC=C(C)C)cn1 162085113 538069523 /nfs/dbraw/zinc/06/95/23/538069523.db2.gz GRBNQDUSFMHXOC-UHFFFAOYSA-N 0 0 180.251 2.248 10 0 AEAERN CCCCOc1cnn(CC)c1 162084175 538071348 /nfs/dbraw/zinc/07/13/48/538071348.db2.gz AMGOGBCHUVTUHC-UHFFFAOYSA-N 0 0 168.240 2.082 10 0 AEAERN Cc1cccc(F)c1NC[C@H](C)CO 162737978 538072592 /nfs/dbraw/zinc/07/25/92/538072592.db2.gz MHVCODIUXJCYMX-QMMMGPOBSA-N 0 0 197.253 2.174 10 0 AEAERN Cc1cccc(F)c1NC[C@@H](C)CO 162737856 538075077 /nfs/dbraw/zinc/07/50/77/538075077.db2.gz MHVCODIUXJCYMX-MRVPVSSYSA-N 0 0 197.253 2.174 10 0 AEAERN CCOC[C@H](C)Nc1cnccc1C 162945528 538076743 /nfs/dbraw/zinc/07/67/43/538076743.db2.gz ORYBGOHPVRVQBZ-JTQLQIEISA-N 0 0 194.278 2.227 10 0 AEAERN CO[C@@H](C)[C@@H](C)Nc1cnccc1C 162946746 538077900 /nfs/dbraw/zinc/07/79/00/538077900.db2.gz AZMSXAMRTAUGJA-ZJUUUORDSA-N 0 0 194.278 2.225 10 0 AEAERN CO[C@H](C)[C@H](C)Nc1cnccc1C 162946424 538078328 /nfs/dbraw/zinc/07/83/28/538078328.db2.gz AZMSXAMRTAUGJA-VHSXEESVSA-N 0 0 194.278 2.225 10 0 AEAERN CCOC[C@@H](C)Nc1cnccc1C 162945400 538078613 /nfs/dbraw/zinc/07/86/13/538078613.db2.gz ORYBGOHPVRVQBZ-SNVBAGLBSA-N 0 0 194.278 2.227 10 0 AEAERN CO[C@H](C)[C@@H](C)Nc1cnccc1C 162946537 538079149 /nfs/dbraw/zinc/07/91/49/538079149.db2.gz AZMSXAMRTAUGJA-NXEZZACHSA-N 0 0 194.278 2.225 10 0 AEAERN CO[C@@H](C)[C@H](C)Nc1cnccc1C 162946635 538079164 /nfs/dbraw/zinc/07/91/64/538079164.db2.gz AZMSXAMRTAUGJA-UWVGGRQHSA-N 0 0 194.278 2.225 10 0 AEAERN COC[C@H](C)CNc1ccccc1 163293224 538081108 /nfs/dbraw/zinc/08/11/08/538081108.db2.gz YSFWVJBFXACMDM-SNVBAGLBSA-N 0 0 179.263 2.381 10 0 AEAERN COC[C@@H](C)CNc1ccccc1 163293100 538081123 /nfs/dbraw/zinc/08/11/23/538081123.db2.gz YSFWVJBFXACMDM-JTQLQIEISA-N 0 0 179.263 2.381 10 0 AEAERN COC[C@@H](C)CNc1cccnc1C 163355580 538083018 /nfs/dbraw/zinc/08/30/18/538083018.db2.gz LMVIDCQTJXSCRW-VIFPVBQESA-N 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VSTFEGXJAYSPCO-UHFFFAOYSA-N 0 0 130.237 2.345 10 0 AEAERN Cc1ncccc1CNc1ccccn1 165878955 538157730 /nfs/dbraw/zinc/15/77/30/538157730.db2.gz WIVSWXCHNPYABR-UHFFFAOYSA-N 0 0 199.257 2.397 10 0 AEAERN C[C@H]1[C@H](C)C[C@@H](C)CN1C(=O)N(C)C 166657665 538161431 /nfs/dbraw/zinc/16/14/31/538161431.db2.gz WZAPYLRPWKSCFH-BBBLOLIVSA-N 0 0 198.310 2.034 10 0 AEAERN C[C@H]1C[C@@H](C)CN(C(=O)N(C)C)[C@H]1C 166657431 538163496 /nfs/dbraw/zinc/16/34/96/538163496.db2.gz WZAPYLRPWKSCFH-UTLUCORTSA-N 0 0 198.310 2.034 10 0 AEAERN C[C@H]1C[C@@H](C)CN(C(=O)C2CC2)[C@H]1C 166872799 538164294 /nfs/dbraw/zinc/16/42/94/538164294.db2.gz DDRMAZIEPAIGPU-UTLUCORTSA-N 0 0 195.306 2.289 10 0 AEAERN CCC(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C 166871434 538164803 /nfs/dbraw/zinc/16/48/03/538164803.db2.gz FVZWOWGXZCYWKX-UTLUCORTSA-N 0 0 183.295 2.289 10 0 AEAERN CCC(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C 166871657 538165929 /nfs/dbraw/zinc/16/59/29/538165929.db2.gz FVZWOWGXZCYWKX-BBBLOLIVSA-N 0 0 183.295 2.289 10 0 AEAERN C[C@H]1[C@H](C)C[C@@H](C)CN1C(=O)C1CC1 166873024 538166774 /nfs/dbraw/zinc/16/67/74/538166774.db2.gz DDRMAZIEPAIGPU-BBBLOLIVSA-N 0 0 195.306 2.289 10 0 AEAERN C[C@H]([NH2+][C@H]1C[C@H]1C)c1cncc(F)c1 167296346 538167800 /nfs/dbraw/zinc/16/78/00/538167800.db2.gz OYAPZYATSFLSTR-FYBVGQRMSA-N 0 0 194.253 2.280 10 0 AEAERN C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cncc(F)c1 167296649 538167933 /nfs/dbraw/zinc/16/79/33/538167933.db2.gz OYAPZYATSFLSTR-DKCNOQQISA-N 0 0 194.253 2.280 10 0 AEAERN C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cncc(F)c1 167296547 538168486 /nfs/dbraw/zinc/16/84/86/538168486.db2.gz OYAPZYATSFLSTR-VHSKPIJISA-N 0 0 194.253 2.280 10 0 AEAERN COCCOc1ccc(C)c(C)c1 167380094 538169305 /nfs/dbraw/zinc/16/93/05/538169305.db2.gz DWXRVHUIJKTBLT-UHFFFAOYSA-N 0 0 180.247 2.329 10 0 AEAERN C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cncc(F)c1 167296449 538170437 /nfs/dbraw/zinc/17/04/37/538170437.db2.gz OYAPZYATSFLSTR-LAEOZQHASA-N 0 0 194.253 2.280 10 0 AEAERN CCOc1cccnc1OC(C)C 167575839 538173677 /nfs/dbraw/zinc/17/36/77/538173677.db2.gz MQTHBRMTSLJVOB-UHFFFAOYSA-N 0 0 181.235 2.268 10 0 AEAERN CC1CN(C(=O)CCC2CCC2)C1 168375697 538177595 /nfs/dbraw/zinc/17/75/95/538177595.db2.gz OOAUBKNNHBZTTO-UHFFFAOYSA-N 0 0 181.279 2.045 10 0 AEAERN c1ccc(COCc2ncc[nH]2)cc1 168541474 538178223 /nfs/dbraw/zinc/17/82/23/538178223.db2.gz HHQYGJQKAXQRDV-UHFFFAOYSA-N 0 0 188.230 2.127 10 0 AEAERN CCCC(CCC)C(=O)NCC 168998082 538180125 /nfs/dbraw/zinc/18/01/25/538180125.db2.gz DUYNICFKVXCZTG-UHFFFAOYSA-N 0 0 171.284 2.339 10 0 AEAERN CCOC(=O)[C@@H]1C[C@H]1CC(C)C 198047880 538182189 /nfs/dbraw/zinc/18/21/89/538182189.db2.gz FUHWQRKEIFMWPI-RKDXNWHRSA-N 0 0 170.252 2.232 10 0 AEAERN CSCCOc1cccc(C)n1 197981986 538182634 /nfs/dbraw/zinc/18/26/34/538182634.db2.gz PQQDVOHRFLRYLC-UHFFFAOYSA-N 0 0 183.276 2.132 10 0 AEAERN CC(C)CC(=O)N[C@@H](C)C(C)C 198048506 538182883 /nfs/dbraw/zinc/18/28/83/538182883.db2.gz VRPKEQJIFNXVIK-VIFPVBQESA-N 0 0 171.284 2.193 10 0 AEAERN CC(C)CC(=O)N[C@H](C)C(C)C 198048509 538182902 /nfs/dbraw/zinc/18/29/02/538182902.db2.gz VRPKEQJIFNXVIK-SECBINFHSA-N 0 0 171.284 2.193 10 0 AEAERN CCNC(=O)[C@H](C)Cc1ccccc1 202890518 538185425 /nfs/dbraw/zinc/18/54/25/538185425.db2.gz PICFFIUYBBWXPT-SNVBAGLBSA-N 0 0 191.274 2.001 10 0 AEAERN CCNC(=O)[C@@H](C)Cc1ccccc1 202890502 538185449 /nfs/dbraw/zinc/18/54/49/538185449.db2.gz PICFFIUYBBWXPT-JTQLQIEISA-N 0 0 191.274 2.001 10 0 AEAERN CCCCCCn1ccc(=O)c(N)c1 212652793 538190793 /nfs/dbraw/zinc/19/07/93/538190793.db2.gz JNIGUJURXNVIJL-UHFFFAOYSA-N 0 0 194.278 2.011 10 0 AEAERN CCn1cc(N)c2ccccc21 222253497 538194198 /nfs/dbraw/zinc/19/41/98/538194198.db2.gz AJSGXUKMANMWHV-UHFFFAOYSA-N 0 0 160.220 2.243 10 0 AEAERN CCNC(=O)[C@H](CC)CC(C)C 222723742 538194560 /nfs/dbraw/zinc/19/45/60/538194560.db2.gz CRSCDWAINQQJAW-SECBINFHSA-N 0 0 171.284 2.195 10 0 AEAERN CCNC(=O)[C@@H](CC)CC(C)C 222727383 538195113 /nfs/dbraw/zinc/19/51/13/538195113.db2.gz CRSCDWAINQQJAW-VIFPVBQESA-N 0 0 171.284 2.195 10 0 AEAERN CCNc1ncnc2c(C)csc12 222275710 538195129 /nfs/dbraw/zinc/19/51/29/538195129.db2.gz WHOVUURMHNNUOW-UHFFFAOYSA-N 0 0 193.275 2.432 10 0 AEAERN CC(C)(C)C(O)=CC(=O)C(C)(F)F 220953900 538195608 /nfs/dbraw/zinc/19/56/08/538195608.db2.gz STDSCSFGWIJYTO-UHFFFAOYSA-N 0 0 192.205 2.216 10 0 AEAERN C=C(OCC)c1ccc(N)cc1 221283981 538195947 /nfs/dbraw/zinc/19/59/47/538195947.db2.gz QUPOUVMNLRXHCY-UHFFFAOYSA-N 0 0 163.220 2.276 10 0 AEAERN CC1CCN(C(=O)OC2CC2)CC1 221776909 538196511 /nfs/dbraw/zinc/19/65/11/538196511.db2.gz JUWKEGOUVIDQHF-UHFFFAOYSA-N 0 0 183.251 2.017 10 0 AEAERN CC[C@H](C)NC(=O)[C@H]1CCC[C@@H]1C 230041608 538202353 /nfs/dbraw/zinc/20/23/53/538202353.db2.gz HANBBTRMWMLIKQ-GUBZILKMSA-N 0 0 183.295 2.337 10 0 AEAERN CC[C@H](C)NC(=O)[C@@H]1CCC[C@@H]1C 230041599 538202487 /nfs/dbraw/zinc/20/24/87/538202487.db2.gz HANBBTRMWMLIKQ-LPEHRKFASA-N 0 0 183.295 2.337 10 0 AEAERN CCCC1(CNc2cccnn2)CC1 230150092 538205135 /nfs/dbraw/zinc/20/51/35/538205135.db2.gz KPPCTDHUQOMRLU-UHFFFAOYSA-N 0 0 191.278 2.469 10 0 AEAERN 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538446406 /nfs/dbraw/zinc/44/64/06/538446406.db2.gz PSJZNXKMAMNDAO-UHFFFAOYSA-N 0 0 179.263 2.439 10 0 AEAERN Fc1c(Cl)cccc1C[C@H]1CO1 669382561 538446416 /nfs/dbraw/zinc/44/64/16/538446416.db2.gz BSIATFYYXPLIMQ-ZETCQYMHSA-N 0 0 186.613 2.420 10 0 AEAERN Fc1ccc(Cl)cc1C[C@@H]1CO1 669382633 538446422 /nfs/dbraw/zinc/44/64/22/538446422.db2.gz GJJWKOVKGIQKMU-MRVPVSSYSA-N 0 0 186.613 2.420 10 0 AEAERN Fc1ccc(Cl)cc1C[C@H]1CO1 669382634 538446478 /nfs/dbraw/zinc/44/64/78/538446478.db2.gz GJJWKOVKGIQKMU-QMMMGPOBSA-N 0 0 186.613 2.420 10 0 AEAERN Cc1noc2nc(C(F)F)cc(N)c12 669382841 538446537 /nfs/dbraw/zinc/44/65/37/538446537.db2.gz FCGMAGSTEVGJKS-UHFFFAOYSA-N 0 0 199.160 2.051 10 0 AEAERN CSc1ccccc1C[C@@H]1CO1 669382635 538446592 /nfs/dbraw/zinc/44/65/92/538446592.db2.gz GWHFMDYEKTWZMO-SECBINFHSA-N 0 0 180.272 2.350 10 0 AEAERN Cc1cccc(C)c1C[C@@H]1CO1 669382641 538446634 /nfs/dbraw/zinc/44/66/34/538446634.db2.gz IAFSMQNNSOPOHJ-SNVBAGLBSA-N 0 0 162.232 2.245 10 0 AEAERN Cc1ccc2ncccc2c1C[C@@H]1CO1 669383108 538446635 /nfs/dbraw/zinc/44/66/35/538446635.db2.gz XXWZOXXDIFCNMD-SNVBAGLBSA-N 0 0 199.253 2.485 10 0 AEAERN CC(C)[C@H]1CCc2c(N)noc2C1 669384746 538446790 /nfs/dbraw/zinc/44/67/90/538446790.db2.gz DEKPGCWVNUPBLH-ZETCQYMHSA-N 0 0 180.251 2.018 10 0 AEAERN CCCC[C@@H]1CC[C@@H](C)[NH2+][C@H]1C(=O)[O-] 669385214 538446792 /nfs/dbraw/zinc/44/67/92/538446792.db2.gz MUWBUNXRPZAECF-OPRDCNLKSA-N 0 0 199.294 2.018 10 0 AEAERN CC(C)CNc1noc2c1CCC2 669384698 538446829 /nfs/dbraw/zinc/44/68/29/538446829.db2.gz BOXDJZNILKTROC-UHFFFAOYSA-N 0 0 180.251 2.231 10 0 AEAERN CC(C)(C)[C@H]1CCc2c(N)noc2C1 669385040 538446837 /nfs/dbraw/zinc/44/68/37/538446837.db2.gz UZCXWJCNDLOZQO-ZETCQYMHSA-N 0 0 194.278 2.408 10 0 AEAERN CC(C)(C)[C@@H]1CCc2c(N)noc2C1 669385039 538446842 /nfs/dbraw/zinc/44/68/42/538446842.db2.gz UZCXWJCNDLOZQO-SSDOTTSWSA-N 0 0 194.278 2.408 10 0 AEAERN CCOc1c(C=O)cc(C)cc1C=O 669384088 538446848 /nfs/dbraw/zinc/44/68/48/538446848.db2.gz NNRIZDOKXHXLKM-UHFFFAOYSA-N 0 0 192.214 2.019 10 0 AEAERN Cc1cc(=O)c2c(C3CC3)noc2[nH]1 669384429 538446850 /nfs/dbraw/zinc/44/68/50/538446850.db2.gz VTDVMJVQLZYXGJ-UHFFFAOYSA-N 0 0 190.202 2.114 10 0 AEAERN Cc1ccc(-c2cc(C)nc(N)c2)cn1 669384958 538446864 /nfs/dbraw/zinc/44/68/64/538446864.db2.gz PMIHIVMLDKEIJP-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1noc2nc(C(C)C)cc(N)c12 669384248 538446935 /nfs/dbraw/zinc/44/69/35/538446935.db2.gz QYJDMHJQUPVTPM-UHFFFAOYSA-N 0 0 191.234 2.237 10 0 AEAERN CCCNc1cnn(C2CCC2)c1 669384779 538447013 /nfs/dbraw/zinc/44/70/13/538447013.db2.gz FZXBTHNBCUTZCR-UHFFFAOYSA-N 0 0 179.267 2.430 10 0 AEAERN CCCC[C@@H]1CC[C@H](C)[NH2+][C@H]1C(=O)[O-] 669385213 538447016 /nfs/dbraw/zinc/44/70/16/538447016.db2.gz MUWBUNXRPZAECF-IVZWLZJFSA-N 0 0 199.294 2.018 10 0 AEAERN CCCC[C@@H]1CC[C@@H](C)[NH2+][C@@H]1C(=O)[O-] 669385212 538447017 /nfs/dbraw/zinc/44/70/17/538447017.db2.gz MUWBUNXRPZAECF-BBBLOLIVSA-N 0 0 199.294 2.018 10 0 AEAERN CCCC[C@@H]1CC[C@H](C)[NH2+][C@@H]1C(=O)[O-] 669385211 538447019 /nfs/dbraw/zinc/44/70/19/538447019.db2.gz MUWBUNXRPZAECF-AEJSXWLSSA-N 0 0 199.294 2.018 10 0 AEAERN CCCc1noc2nc(C)cc(N)c12 669384666 538447056 /nfs/dbraw/zinc/44/70/56/538447056.db2.gz ZPWKGGDULBBDQI-UHFFFAOYSA-N 0 0 191.234 2.066 10 0 AEAERN CCc1cc(=O)c2c(CC)noc2[nH]1 669384361 538447067 /nfs/dbraw/zinc/44/70/67/538447067.db2.gz UMZZWGBYXRJKKH-UHFFFAOYSA-N 0 0 192.218 2.053 10 0 AEAERN Cc1noc2[nH]c(C(C)C)cc(=O)c12 669384100 538447072 /nfs/dbraw/zinc/44/70/72/538447072.db2.gz NQVTUVIHQJDLPU-UHFFFAOYSA-N 0 0 192.218 2.360 10 0 AEAERN CCCc1noc2[nH]c(C)cc(=O)c12 669384364 538447128 /nfs/dbraw/zinc/44/71/28/538447128.db2.gz UNNCVPGJENMCRJ-UHFFFAOYSA-N 0 0 192.218 2.189 10 0 AEAERN Cc1cc(-c2cccc(N)n2)sn1 669384943 538447147 /nfs/dbraw/zinc/44/71/47/538447147.db2.gz OWHYAYHEKXNOLZ-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN CC(C)[C@@H]1CCc2c(N)noc2C1 669384745 538447149 /nfs/dbraw/zinc/44/71/49/538447149.db2.gz DEKPGCWVNUPBLH-SSDOTTSWSA-N 0 0 180.251 2.018 10 0 AEAERN Cc1cc(-c2cccnc2C)cc(N)n1 669384754 538447229 /nfs/dbraw/zinc/44/72/29/538447229.db2.gz DIJWRNXOUHSERF-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CCCc1cc(=O)c2c(C)noc2[nH]1 669384424 538447255 /nfs/dbraw/zinc/44/72/55/538447255.db2.gz VRNLJDIRPGNOPO-UHFFFAOYSA-N 0 0 192.218 2.189 10 0 AEAERN FC1(F)Oc2ccc(Cl)nc2O1 675050814 538447412 /nfs/dbraw/zinc/44/74/12/538447412.db2.gz NQGVDNWGQUWGNF-UHFFFAOYSA-N 0 0 193.536 2.057 10 0 AEAERN COC1=NC2(CCCC2)CC1 675050865 538447460 /nfs/dbraw/zinc/44/74/60/538447460.db2.gz VKXUIWPMJKGTGA-UHFFFAOYSA-N 0 0 153.225 2.138 10 0 AEAERN Cc1oc(C2CCOCC2)cc1C=O 675052801 538447982 /nfs/dbraw/zinc/44/79/82/538447982.db2.gz FJQUVEXDZNNOJX-UHFFFAOYSA-N 0 0 194.230 2.295 10 0 AEAERN CC(C)C(=O)NCCC1CC=CC1 675052885 538448099 /nfs/dbraw/zinc/44/80/99/538448099.db2.gz BMFVMMPGVAXAIS-UHFFFAOYSA-N 0 0 181.279 2.115 10 0 AEAERN CC(C)(C)c1coc2c1C[NH2+]C2 675051972 538448109 /nfs/dbraw/zinc/44/81/09/538448109.db2.gz ZLFDVYHVKPNXCP-UHFFFAOYSA-N 0 0 165.236 2.180 10 0 AEAERN Cc1oc(CC2CC2)cc1C=O 675052705 538448269 /nfs/dbraw/zinc/44/82/69/538448269.db2.gz CVGKRUUQMOAOCJ-UHFFFAOYSA-N 0 0 164.204 2.353 10 0 AEAERN CC1(C(=O)NCCC2CC=CC2)CC1 675052996 538448326 /nfs/dbraw/zinc/44/83/26/538448326.db2.gz DFHVAYVISVBGFC-UHFFFAOYSA-N 0 0 193.290 2.259 10 0 AEAERN CCCc1cc(C=O)c(C)o1 675053503 538448355 /nfs/dbraw/zinc/44/83/55/538448355.db2.gz HUIYXCLYOKBORK-UHFFFAOYSA-N 0 0 152.193 2.353 10 0 AEAERN COc1ccc(C=O)cc1C1CC1 675053210 538448379 /nfs/dbraw/zinc/44/83/79/538448379.db2.gz FYPVFEKKSCOGHJ-UHFFFAOYSA-N 0 0 176.215 2.385 10 0 AEAERN O=C(CC1CC1)NCCC1CC=CC1 675054392 538448642 /nfs/dbraw/zinc/44/86/42/538448642.db2.gz VRQQGSNKTHLHTO-UHFFFAOYSA-N 0 0 193.290 2.259 10 0 AEAERN O=C(NCCC1CC=CC1)C1CCC1 675054327 538448722 /nfs/dbraw/zinc/44/87/22/538448722.db2.gz RZSGTILRZNADOX-UHFFFAOYSA-N 0 0 193.290 2.259 10 0 AEAERN CCCC(=O)NCCC1CC=CC1 675054563 538448890 /nfs/dbraw/zinc/44/88/90/538448890.db2.gz WVRKOCGFCMZVSK-UHFFFAOYSA-N 0 0 181.279 2.259 10 0 AEAERN Cc1noc(CCC(C)C)c1CO 675056011 538449170 /nfs/dbraw/zinc/44/91/70/538449170.db2.gz HUCUUXOBOSNCQL-UHFFFAOYSA-N 0 0 183.251 2.064 10 0 AEAERN Cc1ccc(-c2cncc(C=O)c2)o1 675057803 538449257 /nfs/dbraw/zinc/44/92/57/538449257.db2.gz JUBCLXIPZBAJOQ-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN CCc1ccc(F)c(N)c1F 675056109 538449259 /nfs/dbraw/zinc/44/92/59/538449259.db2.gz CJEIULJWMWQASB-UHFFFAOYSA-N 0 0 157.163 2.109 10 0 AEAERN Nc1cccc(-c2cncc(C=O)c2)c1 675057996 538449653 /nfs/dbraw/zinc/44/96/53/538449653.db2.gz PGPDTEKVGIBMAT-UHFFFAOYSA-N 0 0 198.225 2.143 10 0 AEAERN O=Cc1ccc(N2CCC[C@@H](F)C2)o1 675064413 538450238 /nfs/dbraw/zinc/45/02/38/538450238.db2.gz ILNQCWRHGJRWTI-MRVPVSSYSA-N 0 0 197.209 2.030 10 0 AEAERN O=Cc1ccc(N2C[C@@H]3CCC[C@@H]32)o1 675063654 538450295 /nfs/dbraw/zinc/45/02/95/538450295.db2.gz JHTIVMKVAHYMIP-WPRPVWTQSA-N 0 0 191.230 2.081 10 0 AEAERN CC(=O)[C@H]1COc2cccc(C)c2C1 675063523 538450354 /nfs/dbraw/zinc/45/03/54/538450354.db2.gz GXHLICQEWGEJIQ-SNVBAGLBSA-N 0 0 190.242 2.135 10 0 AEAERN CC(=O)[C@@H]1COc2cccc(C)c2C1 675063522 538450366 /nfs/dbraw/zinc/45/03/66/538450366.db2.gz GXHLICQEWGEJIQ-JTQLQIEISA-N 0 0 190.242 2.135 10 0 AEAERN O=Cc1ccc(N2CCC(F)CC2)o1 675063978 538450373 /nfs/dbraw/zinc/45/03/73/538450373.db2.gz CQTWWFOVWWUXOD-UHFFFAOYSA-N 0 0 197.209 2.030 10 0 AEAERN O=Cc1ccc(N2C[C@H]3CCC[C@H]32)o1 675063651 538450393 /nfs/dbraw/zinc/45/03/93/538450393.db2.gz JHTIVMKVAHYMIP-PSASIEDQSA-N 0 0 191.230 2.081 10 0 AEAERN O=Cc1ccc(N2CCC[C@H](F)C2)o1 675064414 538450512 /nfs/dbraw/zinc/45/05/12/538450512.db2.gz ILNQCWRHGJRWTI-QMMMGPOBSA-N 0 0 197.209 2.030 10 0 AEAERN CCc1cnc(Cl)c2cncnc12 675063367 538450542 /nfs/dbraw/zinc/45/05/42/538450542.db2.gz DCYLPBKCOKUYHA-UHFFFAOYSA-N 0 0 193.637 2.241 10 0 AEAERN O=Cc1ccc(N2C[C@@H]3CCC[C@H]32)o1 675063653 538450707 /nfs/dbraw/zinc/45/07/07/538450707.db2.gz JHTIVMKVAHYMIP-WCBMZHEXSA-N 0 0 191.230 2.081 10 0 AEAERN O=Cc1ccc(N2C[C@H]3CCC[C@@H]32)o1 675063652 538450720 /nfs/dbraw/zinc/45/07/20/538450720.db2.gz JHTIVMKVAHYMIP-SCZZXKLOSA-N 0 0 191.230 2.081 10 0 AEAERN O=Cc1ccc(N2CCC23CCC3)o1 675064852 538450951 /nfs/dbraw/zinc/45/09/51/538450951.db2.gz VDUNGVXJIYUBMA-UHFFFAOYSA-N 0 0 191.230 2.225 10 0 AEAERN C=Cc1cc(F)cc(C=O)c1 142688317 541305777 /nfs/dbraw/zinc/30/57/77/541305777.db2.gz RCAMWXDECFBEBJ-UHFFFAOYSA-N 0 0 150.152 2.281 10 0 AEAERN CCCCCCn1ncc(N)c1C 144843707 541306606 /nfs/dbraw/zinc/30/66/06/541306606.db2.gz MWOIWIMTRFNMMP-UHFFFAOYSA-N 0 0 181.283 2.354 10 0 AEAERN CCCCCSc1c[nH]nn1 144648421 541307103 /nfs/dbraw/zinc/30/71/03/541307103.db2.gz AJMJOBDSSRXCDX-UHFFFAOYSA-N 0 0 171.269 2.087 10 0 AEAERN CC(C)c1c[nH]c2ncc(N)cc12 144815070 541307478 /nfs/dbraw/zinc/30/74/78/541307478.db2.gz MPIHPPFVBMSLMY-UHFFFAOYSA-N 0 0 175.235 2.269 10 0 AEAERN CC(C)CNC(=O)[C@@H](C)CC(C)C 144029144 541307616 /nfs/dbraw/zinc/30/76/16/541307616.db2.gz ILCVWCWBJMNFIG-JTQLQIEISA-N 0 0 185.311 2.441 10 0 AEAERN COC[C@@H](C)CNc1cnccc1C 163336456 541311751 /nfs/dbraw/zinc/31/17/51/541311751.db2.gz DPGNYPNKDYIFCY-VIFPVBQESA-N 0 0 194.278 2.084 10 0 AEAERN COC[C@H](C)CNc1cnccc1C 163336342 541311858 /nfs/dbraw/zinc/31/18/58/541311858.db2.gz DPGNYPNKDYIFCY-SECBINFHSA-N 0 0 194.278 2.084 10 0 AEAERN CCc1cc(C)nc(F)c1 168114125 541313176 /nfs/dbraw/zinc/31/31/76/541313176.db2.gz LFUJTYDSRFPBBY-UHFFFAOYSA-N 0 0 139.173 2.092 10 0 AEAERN Cn1nccc1-c1ccc(F)cc1 200978506 541314602 /nfs/dbraw/zinc/31/46/02/541314602.db2.gz DCGKCBFAIJICIW-UHFFFAOYSA-N 0 0 176.194 2.226 10 0 AEAERN Fc1cccc(-c2cccnn2)c1 201093042 541314664 /nfs/dbraw/zinc/31/46/64/541314664.db2.gz HDOPOPYJGLOYSE-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN CC(C)CC(=O)N(C)Cc1ccc[nH]1 202866751 541315476 /nfs/dbraw/zinc/31/54/76/541315476.db2.gz QJVWWDUBDDTSMV-UHFFFAOYSA-N 0 0 194.278 2.019 10 0 AEAERN NC(=O)c1ccc(-c2ccco2)cc1 204591910 541315892 /nfs/dbraw/zinc/31/58/92/541315892.db2.gz VPPCXOUNSAXLCU-UHFFFAOYSA-N 0 0 187.198 2.046 10 0 AEAERN Fc1ccc(-c2nccs2)cn1 219671887 541318115 /nfs/dbraw/zinc/31/81/15/541318115.db2.gz 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CCc1ccc(OC)c(O)c1[C@@H](C)O 213942557 571686428 /nfs/dbraw/zinc/68/64/28/571686428.db2.gz VWAIRRBEQJQFDE-SSDOTTSWSA-N 0 0 196.246 2.017 10 0 AEAERN C[C@@H]1C[C@@]2(C)C[C@](C)(CC(=O)N2)C1 139335392 571917068 /nfs/dbraw/zinc/91/70/68/571917068.db2.gz JNILJHMJRGTHQO-LSJOCFKGSA-N 0 0 181.279 2.091 10 0 AEAERN Nc1cnc(F)c(-c2ccccc2)c1 306899610 757078761 /nfs/dbraw/zinc/07/87/61/757078761.db2.gz KHAMQRVWIKSDFX-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN CCCN(C)c1ccc(C=O)s1 70609230 571686462 /nfs/dbraw/zinc/68/64/62/571686462.db2.gz YKGRDTCKVYNBOG-UHFFFAOYSA-N 0 0 183.276 2.407 10 0 AEAERN CC(C)OC(=O)N1CCC2(CC2)C1 306886411 757079044 /nfs/dbraw/zinc/07/90/44/757079044.db2.gz PGDVQCYAVNGRQC-UHFFFAOYSA-N 0 0 183.251 2.017 10 0 AEAERN CCCOC(=O)Nc1onc(C)c1C 306821457 757079239 /nfs/dbraw/zinc/07/92/39/757079239.db2.gz KNSDZCXJVUUJJP-UHFFFAOYSA-N 0 0 198.222 2.250 10 0 AEAERN CCCOC(=O)Nc1cnccc1C 306823155 757079309 /nfs/dbraw/zinc/07/93/09/757079309.db2.gz PACQIXYYSOKUDP-UHFFFAOYSA-N 0 0 194.234 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214231881 571736464 /nfs/dbraw/zinc/73/64/64/571736464.db2.gz GNGGJRVPEGGPSB-NWDGAFQWSA-N 0 0 198.306 2.354 10 0 AEAERN Nc1cccc([C@@H]2CCSC2)c1 214227026 571736465 /nfs/dbraw/zinc/73/64/65/571736465.db2.gz SXVNRZJHOYXHSD-SECBINFHSA-N 0 0 179.288 2.489 10 0 AEAERN OCCC[C@H](C1CC1)[C@@H]1CCCOC1 214235787 571736473 /nfs/dbraw/zinc/73/64/73/571736473.db2.gz YABZCUHVKBLRLA-VXGBXAGGSA-N 0 0 198.306 2.212 10 0 AEAERN O[C@@H](C1CCCC1)[C@@H]1CCCCCO1 214231544 571736485 /nfs/dbraw/zinc/73/64/85/571736485.db2.gz RCPBVIYRMOATCG-RYUDHWBXSA-N 0 0 198.306 2.497 10 0 AEAERN CCC(CC)COC[C@@H](O)C(C)C 300871924 571996617 /nfs/dbraw/zinc/99/66/17/571996617.db2.gz PXBMCOVBQZOEAP-LLVKDONJSA-N 0 0 188.311 2.456 10 0 AEAERN CC[C@@H](CC1CC1)NC(=O)C1CC1 78586520 571833463 /nfs/dbraw/zinc/83/34/63/571833463.db2.gz SCZVPSQBWFWPLB-JTQLQIEISA-N 0 0 181.279 2.091 10 0 AEAERN CC(C)CCC[C@@H](C)OCCO 113325404 571861345 /nfs/dbraw/zinc/86/13/45/571861345.db2.gz HEYXXRSIACTNCA-SNVBAGLBSA-N 0 0 174.284 2.210 10 0 AEAERN 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/nfs/dbraw/zinc/91/02/36/571910236.db2.gz VJCMDQBQYMZYOB-SECBINFHSA-N 0 0 199.294 2.020 10 0 AEAERN Cc1[nH]c2c(ccc3nccn32)c1C 39212751 571910262 /nfs/dbraw/zinc/91/02/62/571910262.db2.gz YIMZMDSFXQWSFM-UHFFFAOYSA-N 0 0 185.230 2.432 10 0 AEAERN c1nc2c(c3c1CCC3)CCCC2 39215155 571910687 /nfs/dbraw/zinc/91/06/87/571910687.db2.gz MIPDGLIKFBNRRB-UHFFFAOYSA-N 0 0 173.259 2.449 10 0 AEAERN CCOC(=O)NCC[C@@H](C)CC 145430164 571910716 /nfs/dbraw/zinc/91/07/16/571910716.db2.gz HLZHYYMYLIQDDA-QMMMGPOBSA-N 0 0 173.256 2.169 10 0 AEAERN C[C@H]1CC(C)(C)CC[C@@H]1O 39274539 571919347 /nfs/dbraw/zinc/91/93/47/571919347.db2.gz OMULITXKHULTEE-YUMQZZPRSA-N 0 0 142.242 2.194 10 0 AEAERN CC(=O)[C@@H]1[C@@H](C)C1(Cl)Cl 39271676 571919352 /nfs/dbraw/zinc/91/93/52/571919352.db2.gz VNUBVIMQLGLUEM-WUJLRWPWSA-N 0 0 167.035 2.015 10 0 AEAERN C/C=C/[C@H](O)C(Cl)(Cl)Cl 39278037 571919357 /nfs/dbraw/zinc/91/93/57/571919357.db2.gz APFUCUZIMOHDTP-ZPYNKGFJSA-N 0 0 189.469 2.294 10 0 AEAERN COc1cccc2c1C(=O)C[C@@H]2C 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GBMJJYNLJPWHCY-UHFFFAOYSA-N 0 0 190.246 2.285 10 0 AEAERN Cc1nnc(OCC2CCCC2)s1 585652398 757251528 /nfs/dbraw/zinc/25/15/28/757251528.db2.gz MOFHYMUWACJBBJ-UHFFFAOYSA-N 0 0 198.291 2.416 10 0 AEAERN COC[C@H](C)Sc1ccc(N)cc1 69902426 572154222 /nfs/dbraw/zinc/15/42/22/572154222.db2.gz BFPIZRAPDXQJCM-QMMMGPOBSA-N 0 0 197.303 2.396 10 0 AEAERN OSCc1ccccc1F 526856142 572034978 /nfs/dbraw/zinc/03/49/78/572034978.db2.gz PYAJFBRLOIAXGM-UHFFFAOYSA-N 0 0 157.189 2.404 10 0 AEAERN Clc1cnc(OCC2CCC2)nc1 585651674 757252061 /nfs/dbraw/zinc/25/20/61/757252061.db2.gz PCAWVEJFAFAANO-UHFFFAOYSA-N 0 0 198.653 2.309 10 0 AEAERN c1ccc(OC[C@H]2CCCCO2)nc1 585653868 757252325 /nfs/dbraw/zinc/25/23/25/757252325.db2.gz AIEAYUBAIHFYTC-SNVBAGLBSA-N 0 0 193.246 2.030 10 0 AEAERN CCC[C@@H](C)CNc1cn[nH]c1 35763656 572035001 /nfs/dbraw/zinc/03/50/01/572035001.db2.gz DVRHVKPWEOLPTD-MRVPVSSYSA-N 0 0 167.256 2.258 10 0 AEAERN Cc1csc(OCC2CC2)n1 585652487 757252862 /nfs/dbraw/zinc/25/28/62/757252862.db2.gz NXLRFCPGPLJVIT-UHFFFAOYSA-N 0 0 169.249 2.240 10 0 AEAERN c1ccc(OC2CCSCC2)nc1 585654361 757252977 /nfs/dbraw/zinc/25/29/77/757252977.db2.gz HGELWGUIGLVODR-UHFFFAOYSA-N 0 0 195.287 2.356 10 0 AEAERN Cc1nsc(OC2CCCC2)n1 585652689 757253110 /nfs/dbraw/zinc/25/31/10/757253110.db2.gz SLRINNLSWBFNEF-UHFFFAOYSA-N 0 0 184.264 2.168 10 0 AEAERN Cc1nsc(O[C@@H](C)C2CC2)n1 585651604 757253317 /nfs/dbraw/zinc/25/33/17/757253317.db2.gz FPWMGOVQZKCOIC-YFKPBYRVSA-N 0 0 184.264 2.024 10 0 AEAERN Cc1nccnc1OC1CCCC1 585651790 757253293 /nfs/dbraw/zinc/25/32/93/757253293.db2.gz QHJNXURFTMDXRQ-UHFFFAOYSA-N 0 0 178.235 2.106 10 0 AEAERN C1CC(Oc2nc(C3CC3)ns2)C1 585652674 757253681 /nfs/dbraw/zinc/25/36/81/757253681.db2.gz RVBGKDDBBBPOIN-UHFFFAOYSA-N 0 0 196.275 2.347 10 0 AEAERN COC[C@@H](C)[C@H](O)c1cccc(C)c1 69903747 572154227 /nfs/dbraw/zinc/15/42/27/572154227.db2.gz KIYLNNWSKBNKNJ-PWSUYJOCSA-N 0 0 194.274 2.311 10 0 AEAERN c1csc(OC[C@@H]2CCCCO2)n1 585651875 757254537 /nfs/dbraw/zinc/25/45/37/757254537.db2.gz QZTHRAJBVIIWSR-QMMMGPOBSA-N 0 0 199.275 2.091 10 0 AEAERN Fc1cccnc1O[C@H]1CCSC1 585654159 757254715 /nfs/dbraw/zinc/25/47/15/757254715.db2.gz DSMLSPUZBAFUFT-ZETCQYMHSA-N 0 0 199.250 2.105 10 0 AEAERN Fc1cnc(OCC2CCCC2)nc1 585651770 757254849 /nfs/dbraw/zinc/25/48/49/757254849.db2.gz PZDYHAJAZOUUHL-UHFFFAOYSA-N 0 0 196.225 2.185 10 0 AEAERN Cc1nsc(O[C@H](C)C2CC2)n1 585651600 757254917 /nfs/dbraw/zinc/25/49/17/757254917.db2.gz FPWMGOVQZKCOIC-RXMQYKEDSA-N 0 0 184.264 2.024 10 0 AEAERN Cc1cccc(O[C@@H]2CCSC2)n1 585654789 757254995 /nfs/dbraw/zinc/25/49/95/757254995.db2.gz LZYNEWWBEGBYFW-SECBINFHSA-N 0 0 195.287 2.274 10 0 AEAERN c1cnc(OCC2CCCC2)cn1 585655249 757255045 /nfs/dbraw/zinc/25/50/45/757255045.db2.gz YXSAPDJERVCNPJ-UHFFFAOYSA-N 0 0 178.235 2.046 10 0 AEAERN c1cc(C2CC2)nnc1OC1CCC1 585652127 757255091 /nfs/dbraw/zinc/25/50/91/757255091.db2.gz KVWOOEZVERZQSK-UHFFFAOYSA-N 0 0 190.246 2.285 10 0 AEAERN Fc1cccnc1OCC1CC1 585654185 757255176 /nfs/dbraw/zinc/25/51/76/757255176.db2.gz DYEJOYCBZKGPKS-UHFFFAOYSA-N 0 0 167.183 2.010 10 0 AEAERN Cc1ccc(O[C@@H]2CCSC2)nc1 585655140 757255568 /nfs/dbraw/zinc/25/55/68/757255568.db2.gz UHUSWMWICAZCIM-SECBINFHSA-N 0 0 195.287 2.274 10 0 AEAERN C[C@@H](Oc1ncc(Cl)cn1)C1CC1 585652329 757255615 /nfs/dbraw/zinc/25/56/15/757255615.db2.gz XIWCLLJKBHFSPZ-ZCFIWIBFSA-N 0 0 198.653 2.307 10 0 AEAERN Cc1csc(OC[C@H]2CCCO2)n1 585652787 757255947 /nfs/dbraw/zinc/25/59/47/757255947.db2.gz WPLKKLBHFAPLNQ-MRVPVSSYSA-N 0 0 199.275 2.009 10 0 AEAERN CC(=O)[C@H](C[C@H](O)C(C)C)C(C)C 300902616 572039434 /nfs/dbraw/zinc/03/94/34/572039434.db2.gz QIJUOLQONORFCX-MNOVXSKESA-N 0 0 186.295 2.255 10 0 AEAERN Cc1nsc(OCC2CCC2)n1 585652769 757256083 /nfs/dbraw/zinc/25/60/83/757256083.db2.gz VWRXCKJWMDCVJH-UHFFFAOYSA-N 0 0 184.264 2.025 10 0 AEAERN C[C@H](Oc1nccs1)C1CC1 585651966 757256167 /nfs/dbraw/zinc/25/61/67/757256167.db2.gz TUMUWWYDBDIAKJ-LURJTMIESA-N 0 0 169.249 2.320 10 0 AEAERN C[C@@H](Oc1ncccc1F)C1CC1 585654844 757256351 /nfs/dbraw/zinc/25/63/51/757256351.db2.gz UOHSEBAPRGLSGE-SSDOTTSWSA-N 0 0 181.210 2.398 10 0 AEAERN Fc1ccc(O[C@H]2CCSC2)nc1 585653770 757256467 /nfs/dbraw/zinc/25/64/67/757256467.db2.gz KOLZBQBEUXUJRU-QMMMGPOBSA-N 0 0 199.250 2.105 10 0 AEAERN Cc1cccnc1O[C@H]1CCSC1 585653875 757256642 /nfs/dbraw/zinc/25/66/42/757256642.db2.gz AJNSNWIQQQNPPF-VIFPVBQESA-N 0 0 195.287 2.274 10 0 AEAERN Cc1cncc(OC2CCCC2)n1 585651975 757256717 /nfs/dbraw/zinc/25/67/17/757256717.db2.gz TYBJDYGFKOLMGU-UHFFFAOYSA-N 0 0 178.235 2.106 10 0 AEAERN C[C@@H](Oc1ccc(F)cn1)C1CC1 585654334 757256918 /nfs/dbraw/zinc/25/69/18/757256918.db2.gz QTUXEVFCQIVSBR-SSDOTTSWSA-N 0 0 181.210 2.398 10 0 AEAERN CCOC(CO[C@@H](C)CC)OCC 82486345 572039474 /nfs/dbraw/zinc/03/94/74/572039474.db2.gz TYVTYSQBTCODHX-VIFPVBQESA-N 0 0 190.283 2.201 10 0 AEAERN Cc1ccnc(O[C@H]2CCSC2)c1 585654593 757257383 /nfs/dbraw/zinc/25/73/83/757257383.db2.gz JJBXQJSDPQNXEU-VIFPVBQESA-N 0 0 195.287 2.274 10 0 AEAERN CC(=O)[C@@H](C[C@@H](O)C(C)C)C(C)C 300902623 572039485 /nfs/dbraw/zinc/03/94/85/572039485.db2.gz QIJUOLQONORFCX-WDEREUQCSA-N 0 0 186.295 2.255 10 0 AEAERN Fc1ccc(O[C@@H]2CCSC2)nc1 585653769 757257437 /nfs/dbraw/zinc/25/74/37/757257437.db2.gz KOLZBQBEUXUJRU-MRVPVSSYSA-N 0 0 199.250 2.105 10 0 AEAERN CC(C)(C)CCc1ocnc1CO 300906344 572039487 /nfs/dbraw/zinc/03/94/87/572039487.db2.gz RKJBZWIRSFXLHZ-UHFFFAOYSA-N 0 0 183.251 2.146 10 0 AEAERN CC/C=C/SC 33842666 572039825 /nfs/dbraw/zinc/03/98/25/572039825.db2.gz QOKMHYUWJKXWOV-SNAWJCMRSA-N 0 0 102.202 2.273 10 0 endogenous,in-man AEAERN CC(=O)c1noc2nc(C)cc(C)c12 219720075 572039910 /nfs/dbraw/zinc/03/99/10/572039910.db2.gz HDQMJODXISVWOY-UHFFFAOYSA-N 0 0 190.202 2.042 10 0 AEAERN CC[C@@H]1OC(=O)c2c(O)cccc21 15205011 572041163 /nfs/dbraw/zinc/04/11/63/572041163.db2.gz MHENVRWNXCCIFX-QMMMGPOBSA-N 0 0 178.187 2.014 10 0 AEAERN CC[C@H]1CC(=O)C[C@@H]1CC 33975150 572048429 /nfs/dbraw/zinc/04/84/29/572048429.db2.gz XISLEOYIFRZKLT-YUMQZZPRSA-N 0 0 140.226 2.402 10 0 AEAERN C[C@@H](CO)SC1CC2(CCC2)C1 642827984 757262201 /nfs/dbraw/zinc/26/22/01/757262201.db2.gz RTDGJRFRTRSWTL-QMMMGPOBSA-N 0 0 186.320 2.433 10 0 AEAERN CCCC(=O)c1cc(OC)ccc1O 71455041 572048461 /nfs/dbraw/zinc/04/84/61/572048461.db2.gz DNLNNUYUZMSCIV-UHFFFAOYSA-N 0 0 194.230 2.384 10 0 AEAERN C[C@H](CO)SC1CC2(CCC2)C1 642827982 757264641 /nfs/dbraw/zinc/26/46/41/757264641.db2.gz RTDGJRFRTRSWTL-MRVPVSSYSA-N 0 0 186.320 2.433 10 0 AEAERN C=COC(=O)NCc1ccccc1 34069024 572051398 /nfs/dbraw/zinc/05/13/98/572051398.db2.gz QYODLKIODCGDEH-UHFFFAOYSA-N 0 0 177.203 2.056 10 0 AEAERN O[C@@H]1CC[C@@H]2CNc3cccc1c32 34079630 572053126 /nfs/dbraw/zinc/05/31/26/572053126.db2.gz WULDHZKVISDHRM-GMSGAONNSA-N 0 0 175.231 2.023 10 0 AEAERN CCC(=O)Cc1nc([C@@H](C)CC)no1 82563049 572053139 /nfs/dbraw/zinc/05/31/39/572053139.db2.gz LWHQSGVGMRXBGG-ZETCQYMHSA-N 0 0 196.250 2.105 10 0 AEAERN CCOCCCOc1cccc(N)c1 36671678 572058843 /nfs/dbraw/zinc/05/88/43/572058843.db2.gz JJPZPAJHYDEYFL-UHFFFAOYSA-N 0 0 195.262 2.074 10 0 AEAERN CC1[C@H](C)CC(O)C[C@H]1C 34172244 572058867 /nfs/dbraw/zinc/05/88/67/572058867.db2.gz NFZFYGGERZUDFK-PZYMCFGQSA-N 0 0 142.242 2.049 10 0 AEAERN Cc1ccc(CC[C@H](C)C(N)=O)cc1 114336657 572062423 /nfs/dbraw/zinc/06/24/23/572062423.db2.gz WOVVYRZNZTVAQI-JTQLQIEISA-N 0 0 191.274 2.049 10 0 AEAERN CCC[C@@](C)(O)c1cnc(C)s1 687889581 572062425 /nfs/dbraw/zinc/06/24/25/572062425.db2.gz JKEAIPKJNJGFSR-SECBINFHSA-N 0 0 185.292 2.459 10 0 AEAERN C[C@]1(Cl)C(=O)[C@H]2CCC=C[C@@H]21 34196712 572062438 /nfs/dbraw/zinc/06/24/38/572062438.db2.gz VLZGLBMWFFQNQR-ACLDMZEESA-N 0 0 170.639 2.149 10 0 AEAERN CSC(=O)Cc1ccccc1 34179500 572062443 /nfs/dbraw/zinc/06/24/43/572062443.db2.gz JZYDYNRKODRXIC-UHFFFAOYSA-N 0 0 166.245 2.119 10 0 AEAERN CC[C@@H]1COc2ccccc2N1 34175722 572062462 /nfs/dbraw/zinc/06/24/62/572062462.db2.gz QTBPIASJTHMJON-MRVPVSSYSA-N 0 0 163.220 2.270 10 0 AEAERN COC(OC)c1cccc(C)c1 34195642 572062489 /nfs/dbraw/zinc/06/24/89/572062489.db2.gz WGIKDYRHOONGGD-UHFFFAOYSA-N 0 0 166.220 2.286 10 0 AEAERN COC(=C(F)F)C(F)(F)F 34236840 572067301 /nfs/dbraw/zinc/06/73/01/572067301.db2.gz OKWJCFSNGHJYNJ-UHFFFAOYSA-N 0 0 162.057 2.303 10 0 AEAERN CC[C@@H]1CC[C@@H](C)C1=O 34237089 572067349 /nfs/dbraw/zinc/06/73/49/572067349.db2.gz XDIIJJVECDFTAF-RNFRBKRXSA-N 0 0 126.199 2.012 10 0 AEAERN Cc1nc2ccccc2c2[nH]cnc12 34265372 572067784 /nfs/dbraw/zinc/06/77/84/572067784.db2.gz QAHHBCJMFQXXCO-UHFFFAOYSA-N 0 0 183.214 2.420 10 0 AEAERN CC(=O)OCCC/C=C\Cl 78313840 572067786 /nfs/dbraw/zinc/06/77/86/572067786.db2.gz LHBQGXIQVAQOHP-HYXAFXHYSA-N 0 0 162.616 2.082 10 0 AEAERN CC[C@H]1CC[C@H](C)C1=O 34237088 572067806 /nfs/dbraw/zinc/06/78/06/572067806.db2.gz XDIIJJVECDFTAF-BQBZGAKWSA-N 0 0 126.199 2.012 10 0 AEAERN CC[C@@H]1CC[C@H](C)C1=O 34237087 572067831 /nfs/dbraw/zinc/06/78/31/572067831.db2.gz XDIIJJVECDFTAF-NKWVEPMBSA-N 0 0 126.199 2.012 10 0 AEAERN Cc1ccc(C)n1[C@H](C)[C@H](C)O 34288292 572069261 /nfs/dbraw/zinc/06/92/61/572069261.db2.gz VDYOTWDCRGZONV-ZJUUUORDSA-N 0 0 167.252 2.047 10 0 AEAERN Cc1ccc(C)n1[C@@H](C)[C@H](C)O 34288291 572069306 /nfs/dbraw/zinc/06/93/06/572069306.db2.gz VDYOTWDCRGZONV-UWVGGRQHSA-N 0 0 167.252 2.047 10 0 AEAERN Cc1ccc(C)n1[C@@H](C)[C@@H](C)O 34288289 572069364 /nfs/dbraw/zinc/06/93/64/572069364.db2.gz VDYOTWDCRGZONV-VHSXEESVSA-N 0 0 167.252 2.047 10 0 AEAERN OCCc1ccc2ccccc2c1O 34278733 572069370 /nfs/dbraw/zinc/06/93/70/572069370.db2.gz PVLQNEPQDXRGDX-UHFFFAOYSA-N 0 0 188.226 2.080 10 0 AEAERN CCCC1=C(N)Nc2ccccc2O1 34278760 572069401 /nfs/dbraw/zinc/06/94/01/572069401.db2.gz SMXKDWXMRGWDJR-UHFFFAOYSA-N 0 0 190.246 2.419 10 0 AEAERN CC(C)[C@H](O)Cc1ccn(C(C)C)n1 82866688 572161692 /nfs/dbraw/zinc/16/16/92/572161692.db2.gz ZEAOOYWIMMSDEW-LLVKDONJSA-N 0 0 196.294 2.023 10 0 AEAERN C[C@H]1C[C@H]1CN(C)c1ccc(C=O)o1 82648882 572072969 /nfs/dbraw/zinc/07/29/69/572072969.db2.gz PEMZBONEXXFBLA-IUCAKERBSA-N 0 0 193.246 2.184 10 0 AEAERN CC[C@@](O)(CCCCOC)C1CC1 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C[C@H]1C(=O)C[C@@]2(C)CC[C@@H]1C2 115726665 573207974 /nfs/dbraw/zinc/20/79/74/573207974.db2.gz JXACUVOVPRSYFX-MRTMQBJTSA-N 0 0 152.237 2.402 10 0 AEAERN CCCc1nc2n(n1)CCC[C@H]2C 258252340 573207997 /nfs/dbraw/zinc/20/79/97/573207997.db2.gz HRJPLKLJGZNJQN-MRVPVSSYSA-N 0 0 179.267 2.128 10 0 AEAERN CCO[C@H](C)c1ccc[nH]1 104709182 573208013 /nfs/dbraw/zinc/20/80/13/573208013.db2.gz ROZFWKTWOLLNRL-SSDOTTSWSA-N 0 0 139.198 2.112 10 0 AEAERN Brc1cnc2n1CCC=C2 257964685 573208062 /nfs/dbraw/zinc/20/80/62/573208062.db2.gz HIWZSNGUYRFCTM-UHFFFAOYSA-N 0 0 199.051 2.063 10 0 AEAERN C[C@@H](F)c1ccc(CCON)cc1 257964844 573208082 /nfs/dbraw/zinc/20/80/82/573208082.db2.gz CBKSWZHLLWEEPE-MRVPVSSYSA-N 0 0 183.226 2.150 10 0 AEAERN C[C@@H](O)C[C@@H](C)c1cncc(F)c1 82811946 573208107 /nfs/dbraw/zinc/20/81/07/573208107.db2.gz ZTJUSSJXLWKVHQ-HTQZYQBOSA-N 0 0 183.226 2.095 10 0 AEAERN CC[C@H](O)[C@@]1(c2ccccc2)O[C@@H]1C 238312598 573208116 /nfs/dbraw/zinc/20/81/16/573208116.db2.gz IOJLSEUAAAGQAW-ADEWGFFLSA-N 0 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/nfs/dbraw/zinc/20/83/97/573208397.db2.gz GXORNBUWDWPEOB-ZETCQYMHSA-N 0 0 197.303 2.403 10 0 AEAERN C[C@H](O)C[C@@H](C)c1ccco1 82812309 573208477 /nfs/dbraw/zinc/20/84/77/573208477.db2.gz UDLFJGXKTKOBEL-SFYZADRCSA-N 0 0 154.209 2.154 10 0 AEAERN O=Nc1ccc2c(c1)CCN2 104709101 573208482 /nfs/dbraw/zinc/20/84/82/573208482.db2.gz VCEGBHKKMMUSBQ-UHFFFAOYSA-N 0 0 148.165 2.053 10 0 AEAERN Cc1ccc([C@H](C)C[C@@H](C)O)cn1 82811645 573208499 /nfs/dbraw/zinc/20/84/99/573208499.db2.gz QUGPQJJVGDVXQN-PSASIEDQSA-N 0 0 179.263 2.264 10 0 AEAERN C/C=C\CN(C)c1ccccc1O 308308627 573211540 /nfs/dbraw/zinc/21/15/40/573211540.db2.gz PTYWTKXJLXCEEO-ARJAWSKDSA-N 0 0 177.247 2.405 10 0 AEAERN C[C@H](O)[C@@H](C)SC(F)(F)F 235536942 573211565 /nfs/dbraw/zinc/21/15/65/573211565.db2.gz OWGCXBAXSXIROW-IUYQGCFVSA-N 0 0 174.187 2.009 10 0 AEAERN C[C@@H](CO)c1cccc2scnc12 257971126 573211566 /nfs/dbraw/zinc/21/15/66/573211566.db2.gz CWUUZNWFWFNRAB-ZETCQYMHSA-N 0 0 193.271 2.392 10 0 AEAERN CC1(C(=O)NCC[Si](C)(C)C)CC1 308308628 573211576 /nfs/dbraw/zinc/21/15/76/573211576.db2.gz PTZSQSFPJXOSHX-UHFFFAOYSA-N 0 0 199.370 2.241 10 0 AEAERN CCc1nc(-c2ccoc2)oc1C=O 238306985 573211591 /nfs/dbraw/zinc/21/15/91/573211591.db2.gz ZBYCGMSQSPPRHW-UHFFFAOYSA-N 0 0 191.186 2.310 10 0 AEAERN Cc1nn([C@H](C)C[C@H](C)O)c(C)c1C 82815336 573211611 /nfs/dbraw/zinc/21/16/11/573211611.db2.gz ZDMQVSUKLPSUFM-SFYZADRCSA-N 0 0 196.294 2.140 10 0 AEAERN CCC[C@H]1Cc2c(N)cccc2O1 115748067 573214255 /nfs/dbraw/zinc/21/42/55/573214255.db2.gz GVOIGPOOMAVFHP-QMMMGPOBSA-N 0 0 177.247 2.372 10 0 AEAERN CC[C@@H](C=C=CC(C)C)CO 238307109 573214271 /nfs/dbraw/zinc/21/42/71/573214271.db2.gz FANNTUKZQFVDGC-MDNDIQLQSA-N 0 0 154.253 2.372 10 0 AEAERN C1=C(CNc2ccccc2)C1 104710072 573214285 /nfs/dbraw/zinc/21/42/85/573214285.db2.gz KCFAYFGCWDOKOH-UHFFFAOYSA-N 0 0 145.205 2.429 10 0 AEAERN O=C1CC[C@@H](Sc2ccccn2)C1 82819847 573214358 /nfs/dbraw/zinc/21/43/58/573214358.db2.gz HWAKBBNFNGDJLV-SECBINFHSA-N 0 0 193.271 2.295 10 0 AEAERN Cc1noc(N[C@@H]2CCC(C)(C)C2)n1 235967574 573214401 /nfs/dbraw/zinc/21/44/01/573214401.db2.gz RTNCVRVNINPGIR-MRVPVSSYSA-N 0 0 195.266 2.369 10 0 AEAERN C[C@@H](O)CC(C)(C)c1ccco1 82817246 573214423 /nfs/dbraw/zinc/21/44/23/573214423.db2.gz MHMPKSTXJUPXPR-MRVPVSSYSA-N 0 0 168.236 2.328 10 0 AEAERN C[C@@H](O)Cc1coc2cccc(O)c12 257973927 573214446 /nfs/dbraw/zinc/21/44/46/573214446.db2.gz URGWUHSUTLNWDM-SSDOTTSWSA-N 0 0 192.214 2.062 10 0 AEAERN CCCc1cn2ccc(OC)cc2n1 257974557 573214458 /nfs/dbraw/zinc/21/44/58/573214458.db2.gz NFSUHDLRJIROQW-UHFFFAOYSA-N 0 0 190.246 2.295 10 0 AEAERN CCc1c[nH]c2c(=O)ccccc12 238307369 573214466 /nfs/dbraw/zinc/21/44/66/573214466.db2.gz WPESWTQLUQSPRR-UHFFFAOYSA-N 0 0 173.215 2.091 10 0 AEAERN C[C@H]1C[C@@H](C)Cc2nc(N)sc21 82829406 573214478 /nfs/dbraw/zinc/21/44/78/573214478.db2.gz RJSBSHMKUZNQBY-RITPCOANSA-N 0 0 182.292 2.411 10 0 AEAERN C[C@H](O)Cc1coc2cccc(O)c12 257973930 573214510 /nfs/dbraw/zinc/21/45/10/573214510.db2.gz URGWUHSUTLNWDM-ZETCQYMHSA-N 0 0 192.214 2.062 10 0 AEAERN CC(C)Cc1cc[nH]c1C=O 82320853 573214609 /nfs/dbraw/zinc/21/46/09/573214609.db2.gz UTYOMPQVIZZXKV-UHFFFAOYSA-N 0 0 151.209 2.026 10 0 AEAERN CCC(CC)[C@@]1(O)CC[C@H](C)OC1 401839389 573214614 /nfs/dbraw/zinc/21/46/14/573214614.db2.gz SFWOIOCGBSMICO-GXSJLCMTSA-N 0 0 186.295 2.353 10 0 AEAERN C[C@@H](O)CC(C)(C)C1CC1 82817097 573214649 /nfs/dbraw/zinc/21/46/49/573214649.db2.gz ZUGOIDNKXPPXSI-SSDOTTSWSA-N 0 0 142.242 2.194 10 0 AEAERN CCSCCCNOC(C)(C)C 129067390 573218566 /nfs/dbraw/zinc/21/85/66/573218566.db2.gz KPAKOZKPKMGPBG-UHFFFAOYSA-N 0 0 191.340 2.449 10 0 AEAERN CCc1c[nH]c2c(N)ccc(F)c12 238308066 573218013 /nfs/dbraw/zinc/21/80/13/573218013.db2.gz JTZKJZUYQAQBGY-UHFFFAOYSA-N 0 0 178.210 2.452 10 0 AEAERN CCC[C@H]1Cc2c(O)cccc2O1 115746999 573218019 /nfs/dbraw/zinc/21/80/19/573218019.db2.gz FONMGRBRGOVSIH-QMMMGPOBSA-N 0 0 178.231 2.496 10 0 AEAERN CCc1cccc2cnn(C)c12 238308178 573218065 /nfs/dbraw/zinc/21/80/65/573218065.db2.gz HSPIXSHRJARDSL-UHFFFAOYSA-N 0 0 160.220 2.136 10 0 AEAERN CC(=O)C[C@H]1COc2ccc(C)cc21 257974043 573218079 /nfs/dbraw/zinc/21/80/79/573218079.db2.gz GPLOXSIUBGHBFB-JTQLQIEISA-N 0 0 190.242 2.450 10 0 AEAERN CCc1noc2c(O)cccc12 258588756 573218109 /nfs/dbraw/zinc/21/81/09/573218109.db2.gz SZKKLKZXAAAPAH-UHFFFAOYSA-N 0 0 163.176 2.096 10 0 AEAERN CC(=O)COC1C[C@H](C)C[C@@H](C)C1 82834507 573218123 /nfs/dbraw/zinc/21/81/23/573218123.db2.gz XFGDQFFGHHNGMQ-RKDXNWHRSA-N 0 0 184.279 2.417 10 0 AEAERN C[C@@H]1CC(OC[C@@H](C)O)C[C@@H](C)C1 82834536 573218164 /nfs/dbraw/zinc/21/81/64/573218164.db2.gz ZGYGSNPALUEIGX-LPEHRKFASA-N 0 0 186.295 2.209 10 0 AEAERN Cc1cc(C)c2c(c1)SC(=O)C2=O 115771595 573218167 /nfs/dbraw/zinc/21/81/67/573218167.db2.gz HDQLFGCRKRAPSG-UHFFFAOYSA-N 0 0 192.239 2.118 10 0 AEAERN OCCc1ccccc1C1CSC1 257972881 573218237 /nfs/dbraw/zinc/21/82/37/573218237.db2.gz DBCIJLYSXARXEV-UHFFFAOYSA-N 0 0 194.299 2.052 10 0 AEAERN C[C@H]1NC(=O)Nc2ccc(F)cc21 257973152 573218254 /nfs/dbraw/zinc/21/82/54/573218254.db2.gz 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/nfs/dbraw/zinc/16/75/72/758167572.db2.gz YIVKMISXZUZWON-UMCURTJPSA-N 0 0 179.263 2.130 10 0 AEAERN CC(C)CCc1cc(C=O)c[nH]1 82321951 573218912 /nfs/dbraw/zinc/21/89/12/573218912.db2.gz KCENQEUPTRWDQD-UHFFFAOYSA-N 0 0 165.236 2.416 10 0 AEAERN C[C@@H]1Cc2nc(CO)sc2[C@H](C)C1 82831812 573218937 /nfs/dbraw/zinc/21/89/37/573218937.db2.gz XISPVIGECTZNFK-NKWVEPMBSA-N 0 0 197.303 2.321 10 0 AEAERN CNc1cc2c(nn1)C[C@@H](C)C[C@H]2C 82831347 573218944 /nfs/dbraw/zinc/21/89/44/573218944.db2.gz MKCNHBSUGWEUQW-JGVFFNPUSA-N 0 0 191.278 2.204 10 0 AEAERN CCSCCNOC(C)(C)C 129067897 573218958 /nfs/dbraw/zinc/21/89/58/573218958.db2.gz HFGYUKMIAJJJIC-UHFFFAOYSA-N 0 0 177.313 2.059 10 0 AEAERN CCc1cc(F)c2cncn2c1 238308851 573218984 /nfs/dbraw/zinc/21/89/84/573218984.db2.gz YIQFPWYTLIABKE-UHFFFAOYSA-N 0 0 164.183 2.036 10 0 AEAERN CC[C@@]1(C)C(=O)CC[C@@H]1C 238308174 573218991 /nfs/dbraw/zinc/21/89/91/573218991.db2.gz IKRGKXGUKBBVCI-IONNQARKSA-N 0 0 140.226 2.402 10 0 AEAERN CC[C@H](O)C[C@H]1Cc2ccccc2N1 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C[C@H]1CCc2sc(=NN)[nH]c2[C@H]1C 82858539 573240827 /nfs/dbraw/zinc/24/08/27/573240827.db2.gz QJFSHGIYUZUEAF-WDSKDSINSA-N 0 0 197.307 2.115 10 0 AEAERN C[C@@H]1CCC[C@H](n2nccc2N)[C@@H]1C 82859698 573240833 /nfs/dbraw/zinc/24/08/33/573240833.db2.gz DUADZJISZLLLJB-BBBLOLIVSA-N 0 0 193.294 2.463 10 0 AEAERN CCc1cc([C@H](C)O)c(OC)cc1F 257977079 573240861 /nfs/dbraw/zinc/24/08/61/573240861.db2.gz DIVKLDXDWDTAHA-ZETCQYMHSA-N 0 0 198.237 2.450 10 0 AEAERN CCO[C@@H](C)[C@@H](O)CC1(C)CCC1 308324308 573240862 /nfs/dbraw/zinc/24/08/62/573240862.db2.gz DOISBBFAMMRZMD-UWVGGRQHSA-N 0 0 186.295 2.353 10 0 AEAERN Cc1cn(CCC[C@H](C)O)cc1C 308324380 573240869 /nfs/dbraw/zinc/24/08/69/573240869.db2.gz DTVBRGWGUWMDKG-NSHDSACASA-N 0 0 181.279 2.266 10 0 AEAERN CC(C)Cc1c(CO)noc1C1CC1 308521630 573240898 /nfs/dbraw/zinc/24/08/98/573240898.db2.gz HZKNJMAPWWZRFH-UHFFFAOYSA-N 0 0 195.262 2.243 10 0 AEAERN C[C@H]1CCc2sc(N)nc2[C@H]1C 82857139 573240911 /nfs/dbraw/zinc/24/09/11/573240911.db2.gz 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86071888 573241394 /nfs/dbraw/zinc/24/13/94/573241394.db2.gz BUVAHZMKFUECCB-NSHDSACASA-N 0 0 194.274 2.453 10 0 AEAERN CCn1cnc([C@H](O)[C@@H](C)C(C)C)c1 308521569 573241399 /nfs/dbraw/zinc/24/13/99/573241399.db2.gz HWRXUSIMBYWZNM-GXSJLCMTSA-N 0 0 196.294 2.229 10 0 AEAERN CNc1n[nH]c2c1[C@H](C)CC[C@H]2C 82859114 573241418 /nfs/dbraw/zinc/24/14/18/573241418.db2.gz SFHRRDCCYKPVEV-RNFRBKRXSA-N 0 0 179.267 2.452 10 0 AEAERN O=C1CC[C@@H](C2CCCCCC2)N1 257976970 573241422 /nfs/dbraw/zinc/24/14/22/573241422.db2.gz ZFDKEYBPYZIBGQ-JTQLQIEISA-N 0 0 181.279 2.235 10 0 AEAERN CNc1cc2c(nn1)[C@H](C)[C@@H](C)CC2 82858605 573241460 /nfs/dbraw/zinc/24/14/60/573241460.db2.gz NXVHPGQTLXZBQU-JGVFFNPUSA-N 0 0 191.278 2.204 10 0 AEAERN CNc1n[nH]c2c1CC[C@H](C)[C@H]2C 82859109 573241514 /nfs/dbraw/zinc/24/15/14/573241514.db2.gz WYGGXZBHRVYAIZ-NKWVEPMBSA-N 0 0 179.267 2.137 10 0 AEAERN COC(C)(C)[C@@H](O)c1cccc(C)c1 86072001 573241530 /nfs/dbraw/zinc/24/15/30/573241530.db2.gz YUPBOBWAUZQSIG-NSHDSACASA-N 0 0 194.274 2.453 10 0 AEAERN C[C@H]1CC[C@@H](C)c2sc(=NN)[nH]c21 82858543 573241563 /nfs/dbraw/zinc/24/15/63/573241563.db2.gz KMWFSVYEEZGZBN-NTSWFWBYSA-N 0 0 197.307 2.430 10 0 AEAERN C[C@@H]1COc2c1cccc2C(C)(C)O 258244744 573241570 /nfs/dbraw/zinc/24/15/70/573241570.db2.gz XLFNVRHYQURHFN-MRVPVSSYSA-N 0 0 192.258 2.410 10 0 AEAERN COC(C)(C)[C@@H](O)C1CCCCC1 86071999 573241590 /nfs/dbraw/zinc/24/15/90/573241590.db2.gz KOCIWWPFAVQCOZ-JTQLQIEISA-N 0 0 186.295 2.353 10 0 AEAERN C[C@H]1CC[C@H](C)c2nc(N)ncc21 82859559 573242005 /nfs/dbraw/zinc/24/20/05/573242005.db2.gz GNEGZFZPVALYCO-BQBZGAKWSA-N 0 0 177.251 2.060 10 0 AEAERN CCc1cc([C@@H](C)O)c(OC)cc1F 257977076 573242022 /nfs/dbraw/zinc/24/20/22/573242022.db2.gz DIVKLDXDWDTAHA-SSDOTTSWSA-N 0 0 198.237 2.450 10 0 AEAERN CC(=O)O[C@H](C)C(=O)C1CCCCC1 308521423 573242069 /nfs/dbraw/zinc/24/20/69/573242069.db2.gz YBPNGEBIIWHHJJ-MRVPVSSYSA-N 0 0 198.262 2.087 10 0 AEAERN CC(C)[C@H](O)/C=C\c1ccco1 222926027 573242072 /nfs/dbraw/zinc/24/20/72/573242072.db2.gz DCWHXEPXCAKDQT-WWQCOOJYSA-N 0 0 166.220 2.310 10 0 AEAERN COC(C)(C)c1nccc(Cl)n1 86071285 573242142 /nfs/dbraw/zinc/24/21/42/573242142.db2.gz VMVQCTTUFYTGID-UHFFFAOYSA-N 0 0 186.642 2.012 10 0 AEAERN CCc1cc(C(C)(C)C)[nH]c(=O)n1 238315431 573242145 /nfs/dbraw/zinc/24/21/45/573242145.db2.gz DQKISZKMVOKNRA-UHFFFAOYSA-N 0 0 180.251 2.042 10 0 AEAERN CO[C@H](C)Cc1cccc(C(C)=O)c1 259390823 573242561 /nfs/dbraw/zinc/24/25/61/573242561.db2.gz IOICERUZDFZQMJ-SECBINFHSA-N 0 0 192.258 2.467 10 0 AEAERN CCc1cc2c(cc1O)OCC2=O 238316105 573242562 /nfs/dbraw/zinc/24/25/62/573242562.db2.gz PLNYNOXAKNRZAW-UHFFFAOYSA-N 0 0 178.187 2.406 10 0 AEAERN CC(=O)[C@H](F)C[C@@H]1CCSC1 257977055 573243178 /nfs/dbraw/zinc/24/31/78/573243178.db2.gz ZGWVJDGDDMKYBD-JGVFFNPUSA-N 0 0 176.256 2.057 10 0 AEAERN CNc1csc(-c2cccnc2)n1 258607689 573242729 /nfs/dbraw/zinc/24/27/29/573242729.db2.gz ARBWDXQTXOYZAH-UHFFFAOYSA-N 0 0 191.259 2.247 10 0 AEAERN CC[C@H](O)[C@H]1[C@@H](C)C1(Cl)Cl 238315575 573242826 /nfs/dbraw/zinc/24/28/26/573242826.db2.gz NLSSHFAXLJJQGH-NGJCXOISSA-N 0 0 183.078 2.197 10 0 AEAERN COC(C)(C)C(=O)c1ccc(F)cc1 86071587 573242835 /nfs/dbraw/zinc/24/28/35/573242835.db2.gz DRNMKHRSBHQIPJ-UHFFFAOYSA-N 0 0 196.221 2.433 10 0 AEAERN CC(=O)O[C@@H](C)C(=O)C1CCCCC1 308521424 573242866 /nfs/dbraw/zinc/24/28/66/573242866.db2.gz YBPNGEBIIWHHJJ-QMMMGPOBSA-N 0 0 198.262 2.087 10 0 AEAERN C[C@@H]1CC(=O)c2cc(O)ccc21 222952173 573242882 /nfs/dbraw/zinc/24/28/82/573242882.db2.gz DXQBCHPPOHNECG-ZCFIWIBFSA-N 0 0 162.188 2.082 10 0 AEAERN CC(=O)[C@@H](F)C[C@H]1CCSC1 257977057 573242896 /nfs/dbraw/zinc/24/28/96/573242896.db2.gz ZGWVJDGDDMKYBD-SFYZADRCSA-N 0 0 176.256 2.057 10 0 AEAERN CCCCc1nccc(C(C)=O)n1 308320255 573243002 /nfs/dbraw/zinc/24/30/02/573243002.db2.gz ATVQYEIAMBIYOJ-UHFFFAOYSA-N 0 0 178.235 2.022 10 0 AEAERN CCc1cc(C(C)=O)c(C)cc1O 238315655 573243044 /nfs/dbraw/zinc/24/30/44/573243044.db2.gz ZNLVOHZGRMYRLG-UHFFFAOYSA-N 0 0 178.231 2.466 10 0 AEAERN CCCC[C@@H](C)Nc1ccncn1 50889374 573243070 /nfs/dbraw/zinc/24/30/70/573243070.db2.gz RRPJELMXKCPZSJ-SECBINFHSA-N 0 0 179.267 2.467 10 0 AEAERN C[C@@H]1CC[C@](O)([C@@H]2CCOC2)[C@H](C)C1 82861298 573243090 /nfs/dbraw/zinc/24/30/90/573243090.db2.gz JDBXDVZBGIVICY-DDHJBXDOSA-N 0 0 198.306 2.210 10 0 AEAERN Cc1nc(-c2cccc(C=O)c2)co1 257977064 573243110 /nfs/dbraw/zinc/24/31/10/573243110.db2.gz ZHLYXFBQOWVXMR-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN C/C=C\C(=O)N(C)[C@@H](C)C1CCC1 308321412 573243153 /nfs/dbraw/zinc/24/31/53/573243153.db2.gz YUFZEPMQKMUOQG-RNEXMXFGSA-N 0 0 181.279 2.210 10 0 AEAERN CC(C)=CCC[C@H](C)[C@H](O)/C=C/CO 238419528 573243227 /nfs/dbraw/zinc/24/32/27/573243227.db2.gz DMZRBAUNZNNQOM-JZUADKBYSA-N 0 0 198.306 2.278 10 0 AEAERN C[C@@H]1CC[C@@](C)(O)[C@H](C)C1 82861342 573243841 /nfs/dbraw/zinc/24/38/41/573243841.db2.gz BLIVXFHENZWBRV-IWSPIJDZSA-N 0 0 142.242 2.194 10 0 AEAERN CCCC[C@H](C)Nc1ccncn1 50889375 573243235 /nfs/dbraw/zinc/24/32/35/573243235.db2.gz 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/nfs/dbraw/zinc/24/34/90/573243490.db2.gz BHDJZJLIFRXSFM-ONGXEEELSA-N 0 0 184.279 2.130 10 0 AEAERN CCc1ccccc1[C@H]1CCC(=O)N1 238315804 573243494 /nfs/dbraw/zinc/24/34/94/573243494.db2.gz CPZFDANIUPTHOL-LLVKDONJSA-N 0 0 189.258 2.200 10 0 AEAERN CC(C)OCc1ccc(F)cc1N 82864652 573243515 /nfs/dbraw/zinc/24/35/15/573243515.db2.gz GGMIIPAGLAPUIJ-UHFFFAOYSA-N 0 0 183.226 2.333 10 0 AEAERN CCN(CC)c1ccncc1F 226291039 573243519 /nfs/dbraw/zinc/24/35/19/573243519.db2.gz WWGFKZBXVFWQAJ-UHFFFAOYSA-N 0 0 168.215 2.067 10 0 AEAERN Cc1cc(C(C)(C)O)c(C=O)cc1F 257977098 573243537 /nfs/dbraw/zinc/24/35/37/573243537.db2.gz DJMUPJJISKXBJC-UHFFFAOYSA-N 0 0 196.221 2.174 10 0 AEAERN COc1c(CC(C)=O)ccc(C)c1F 257977082 573243546 /nfs/dbraw/zinc/24/35/46/573243546.db2.gz DJATUCPCIQVWQO-UHFFFAOYSA-N 0 0 196.221 2.274 10 0 AEAERN CCOc1[nH]cc(CC)c1C 238315518 573243575 /nfs/dbraw/zinc/24/35/75/573243575.db2.gz HZXJQXUASJVEDO-UHFFFAOYSA-N 0 0 153.225 2.284 10 0 AEAERN Cc1ccc(-c2cnoc2N)cc1F 257977019 573243607 /nfs/dbraw/zinc/24/36/07/573243607.db2.gz DIJNPQQQZUBFSO-UHFFFAOYSA-N 0 0 192.193 2.371 10 0 AEAERN CC(C)c1nn(CC2CCC2)cc1N 716630201 573243619 /nfs/dbraw/zinc/24/36/19/573243619.db2.gz NWVVVFUVRJPVQV-UHFFFAOYSA-N 0 0 193.294 2.389 10 0 AEAERN CCn1cnc([C@@H](O)[C@H](C)C(C)C)c1 308521570 573243651 /nfs/dbraw/zinc/24/36/51/573243651.db2.gz HWRXUSIMBYWZNM-KOLCDFICSA-N 0 0 196.294 2.229 10 0 AEAERN CCCOCC1=C[C@@H](O)C[C@H](C)C1 308321270 573243669 /nfs/dbraw/zinc/24/36/69/573243669.db2.gz BHDJZJLIFRXSFM-KOLCDFICSA-N 0 0 184.279 2.130 10 0 AEAERN Oc1cccc([C@H]2CCCO2)c1 258607080 573243689 /nfs/dbraw/zinc/24/36/89/573243689.db2.gz VKHNUSLHKXFMCF-SNVBAGLBSA-N 0 0 164.204 2.244 10 0 AEAERN Oc1cccc([C@@H]2CCCO2)c1 258607064 573243706 /nfs/dbraw/zinc/24/37/06/573243706.db2.gz VKHNUSLHKXFMCF-JTQLQIEISA-N 0 0 164.204 2.244 10 0 AEAERN C[C@H](Nc1ccc(N)c(N)c1)C1CC1 235554120 573243719 /nfs/dbraw/zinc/24/37/19/573243719.db2.gz LASCATBVRFGJND-ZETCQYMHSA-N 0 0 191.278 2.061 10 0 AEAERN 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74536348 573351870 /nfs/dbraw/zinc/35/18/70/573351870.db2.gz LXJHVIRYEWNTDW-UHFFFAOYSA-N 0 0 189.262 2.096 10 0 AEAERN CCc1nc2c(o1)C[C@H](C)CC2=O 117520481 573351888 /nfs/dbraw/zinc/35/18/88/573351888.db2.gz KBUYZZPUROWFMC-ZCFIWIBFSA-N 0 0 179.219 2.002 10 0 AEAERN CCc1nc2c(o1)C[C@@H](C)CC2=O 117520479 573351956 /nfs/dbraw/zinc/35/19/56/573351956.db2.gz KBUYZZPUROWFMC-LURJTMIESA-N 0 0 179.219 2.002 10 0 AEAERN CC[C@H](O)c1ccc(C)cc1OC 117538283 573351965 /nfs/dbraw/zinc/35/19/65/573351965.db2.gz PUYOPHCCJUQYFF-JTQLQIEISA-N 0 0 180.247 2.447 10 0 AEAERN CC(=O)c1cc(C)c(F)c(O)c1 258006163 573351978 /nfs/dbraw/zinc/35/19/78/573351978.db2.gz MKKXFYXWDMZXAX-UHFFFAOYSA-N 0 0 168.167 2.042 10 0 AEAERN CCc1cc(C(C)=O)c(C)o1 107117331 573352127 /nfs/dbraw/zinc/35/21/27/573352127.db2.gz VEWROIPKVFLQGU-UHFFFAOYSA-N 0 0 152.193 2.353 10 0 AEAERN COc1c(O)cc(C(C)C)cc1CO 258006209 573352160 /nfs/dbraw/zinc/35/21/60/573352160.db2.gz HAEHQBMQXLIFCZ-UHFFFAOYSA-N 0 0 196.246 2.017 10 0 AEAERN 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573373500 /nfs/dbraw/zinc/37/35/00/573373500.db2.gz OORWOIVLKSNDPS-UHFFFAOYSA-N 0 0 183.276 2.262 10 0 AEAERN COC1(c2ccccc2O)CC1 117881689 573373506 /nfs/dbraw/zinc/37/35/06/573373506.db2.gz WHGZWEMNHKMNKZ-UHFFFAOYSA-N 0 0 164.204 2.028 10 0 AEAERN C[C@@H](CO)c1ccc2[nH]ccc2c1F 258014010 573373514 /nfs/dbraw/zinc/37/35/14/573373514.db2.gz HOYRLWNVIMOOMX-ZETCQYMHSA-N 0 0 193.221 2.403 10 0 AEAERN COc1ccc2c(N)c(O)ccc2c1 238371131 573373523 /nfs/dbraw/zinc/37/35/23/573373523.db2.gz LWUMBUQUTJWSQS-UHFFFAOYSA-N 0 0 189.214 2.136 10 0 AEAERN CCONC[C@H]1CCC[C@H](C)C1 133081400 573373526 /nfs/dbraw/zinc/37/35/26/573373526.db2.gz QQDJECCHAUSVMR-UWVGGRQHSA-N 0 0 171.284 2.354 10 0 AEAERN CCCC[C@@H](CC)NOCC 133071202 573374091 /nfs/dbraw/zinc/37/40/91/573374091.db2.gz ORRFYBIXZODDDC-SECBINFHSA-N 0 0 159.273 2.496 10 0 AEAERN C[C@@H](CO)C[C@@H]1C=CCCC1 238372213 573374092 /nfs/dbraw/zinc/37/40/92/573374092.db2.gz NNTXDYVXYJZGRI-NXEZZACHSA-N 0 0 154.253 2.361 10 0 AEAERN C[C@H]1CCNc2cc(F)ccc2N1C 107137455 573374152 /nfs/dbraw/zinc/37/41/52/573374152.db2.gz XNOFTSMNBYGATN-QMMMGPOBSA-N 0 0 194.253 2.466 10 0 AEAERN COC(=O)/C=C\C[C@H]1CCCS1 258015898 573374191 /nfs/dbraw/zinc/37/41/91/573374191.db2.gz BJQYLFFTMJLMLK-XVZDEFPZSA-N 0 0 186.276 2.001 10 0 AEAERN ONCc1ccc(C2CCC2)cc1 258014456 573374247 /nfs/dbraw/zinc/37/42/47/573374247.db2.gz NJXVDEPSFFSLIT-UHFFFAOYSA-N 0 0 177.247 2.433 10 0 AEAERN NOCc1cc2c(Cl)cccc2o1 258329677 573374253 /nfs/dbraw/zinc/37/42/53/573374253.db2.gz WZGSYISADHEXCT-UHFFFAOYSA-N 0 0 197.621 2.477 10 0 AEAERN CCC[C@@H](C)[C@H](NN)c1ccco1 133065341 573374264 /nfs/dbraw/zinc/37/42/64/573374264.db2.gz ICEMQNAJWZOHKC-SCZZXKLOSA-N 0 0 182.267 2.220 10 0 AEAERN C[C@H]1CC[C@H](Nc2cccnn2)[C@@H]1C 83045363 573374273 /nfs/dbraw/zinc/37/42/73/573374273.db2.gz FQNFYRWWNDJHPX-AEJSXWLSSA-N 0 0 191.278 2.323 10 0 AEAERN OCCc1cc(F)c(F)c(Cl)c1 258008838 573374277 /nfs/dbraw/zinc/37/42/77/573374277.db2.gz HFRRJHDUGGDSEF-UHFFFAOYSA-N 0 0 192.592 2.153 10 0 AEAERN 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/nfs/dbraw/zinc/37/86/77/573378677.db2.gz QFTFLWWJCPAFPM-RYUDHWBXSA-N 0 0 194.274 2.189 10 0 AEAERN CSC[C@H](CO)c1cccc(C)c1 258017300 573378688 /nfs/dbraw/zinc/37/86/88/573378688.db2.gz FSEBXZAWHCAIHS-NSHDSACASA-N 0 0 196.315 2.434 10 0 AEAERN C[C@@H]1SCC[C@]1(O)Cc1ccoc1 107141501 573378702 /nfs/dbraw/zinc/37/87/02/573378702.db2.gz MZOQKQCTLNMZJC-WPRPVWTQSA-N 0 0 198.287 2.079 10 0 AEAERN COc1ccccc1[C@@H]1C=C[C@@H](O)C1 238375339 573382830 /nfs/dbraw/zinc/38/28/30/573382830.db2.gz CEJIUWICUBSTEK-NXEZZACHSA-N 0 0 190.242 2.100 10 0 AEAERN C[C@@H]1CCC(=O)[C@H]([C@@H]2CCC[C@@H]2O)C1 86354961 573382836 /nfs/dbraw/zinc/38/28/36/573382836.db2.gz VVHITSBXZBJRFO-RCWTZXSCSA-N 0 0 196.290 2.153 10 0 AEAERN COC1=CC[C@@](C)(CCO)CC1 238375612 573382858 /nfs/dbraw/zinc/38/28/58/573382858.db2.gz XQBVPSHYTNXCQF-SNVBAGLBSA-N 0 0 170.252 2.089 10 0 AEAERN CCC1(C[C@H](O)[C@H]2CCOC2)CCC1 308567736 573382859 /nfs/dbraw/zinc/38/28/59/573382859.db2.gz IPPUWVWPDHCBHQ-QWRGUYRKSA-N 0 0 198.306 2.354 10 0 AEAERN 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Cc1c(F)cc(F)cc1[C@H](C)CO 258018995 573412098 /nfs/dbraw/zinc/41/20/98/573412098.db2.gz HYETXDHVDPKXOR-ZCFIWIBFSA-N 0 0 186.201 2.369 10 0 AEAERN CC(C)(C)[C@@H](O)C1CCC1 83120868 573412108 /nfs/dbraw/zinc/41/21/08/573412108.db2.gz AQLYGUNBNXPLTD-QMMMGPOBSA-N 0 0 142.242 2.194 10 0 AEAERN CCn1ncc(N)c1C1CCCC1 257811152 573412146 /nfs/dbraw/zinc/41/21/46/573412146.db2.gz AXFQDMSSFIDFFO-UHFFFAOYSA-N 0 0 179.267 2.143 10 0 AEAERN Cc1cc(/C=C/[C@@H](C)O)cc(C)n1 238381095 573412165 /nfs/dbraw/zinc/41/21/65/573412165.db2.gz IPXYCGKRUXYLEV-ORAHPGNNSA-N 0 0 177.247 2.092 10 0 AEAERN CC(C)NC(=O)N[C@@H](C)c1ccco1 74904415 573412189 /nfs/dbraw/zinc/41/21/89/573412189.db2.gz FVXJXGNPLBVNCO-QMMMGPOBSA-N 0 0 196.250 2.048 10 0 AEAERN O=C(C1CC1)[C@@H]1Cc2ccccc21 83120468 573412204 /nfs/dbraw/zinc/41/22/04/573412204.db2.gz RYUHKDMJJIBLSS-LLVKDONJSA-N 0 0 172.227 2.305 10 0 AEAERN COc1nc2ccc(O)cc2s1 238382716 573412213 /nfs/dbraw/zinc/41/22/13/573412213.db2.gz MITWLKFSDGLBTM-UHFFFAOYSA-N 0 0 181.216 2.011 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195.262 2.054 10 0 AEAERN CC1C[C@H](C)C(=O)[C@@H](C)C1 118695454 573418689 /nfs/dbraw/zinc/41/86/89/573418689.db2.gz CFAIQLSTEVEYCJ-YUMQZZPRSA-N 0 0 140.226 2.258 10 0 AEAERN COc1cccc([C@H](O)C2=C(C)C2)c1 118703313 573418727 /nfs/dbraw/zinc/41/87/27/573418727.db2.gz AQHWGOBINITGOU-LBPRGKRZSA-N 0 0 190.242 2.449 10 0 AEAERN Cc1nc(C2CCC2)ncc1[C@@H](C)[NH3+] 83136514 573418738 /nfs/dbraw/zinc/41/87/38/573418738.db2.gz QOPXKFRLWLLUMI-SSDOTTSWSA-N 0 0 191.278 2.072 10 0 AEAERN OCc1nc([C@H]2CCCCS2)co1 258019113 573418751 /nfs/dbraw/zinc/41/87/51/573418751.db2.gz HWFJQSLXPAZXMN-MRVPVSSYSA-N 0 0 199.275 2.125 10 0 AEAERN Cc1cccc2c1C[C@@H](C(C)(C)O)N2 258337274 573418809 /nfs/dbraw/zinc/41/88/09/573418809.db2.gz XPJBRAFESZYFKO-NSHDSACASA-N 0 0 191.274 2.103 10 0 AEAERN CC1C[C@@H](C)C(=O)[C@H](C)C1 118695457 573418825 /nfs/dbraw/zinc/41/88/25/573418825.db2.gz CFAIQLSTEVEYCJ-HTQZYQBOSA-N 0 0 140.226 2.258 10 0 AEAERN COCc1cnc2ccc(Cl)cn12 258494514 573418854 /nfs/dbraw/zinc/41/88/54/573418854.db2.gz JNVLIWKGUAJQGJ-UHFFFAOYSA-N 0 0 196.637 2.134 10 0 AEAERN COC1(OC)C[C@H](C)Cc2cc[nH]c21 238384986 573418856 /nfs/dbraw/zinc/41/88/56/573418856.db2.gz QKVZPKMSUGYOFF-MRVPVSSYSA-N 0 0 195.262 2.043 10 0 AEAERN Cc1ccc(N)cc1OCOC(C)C 308579745 573418899 /nfs/dbraw/zinc/41/88/99/573418899.db2.gz GABGWKIYNWWTPL-UHFFFAOYSA-N 0 0 195.262 2.339 10 0 AEAERN CCCCC[C@@H](CC1CC1)NN 129922456 573418961 /nfs/dbraw/zinc/41/89/61/573418961.db2.gz IELVNASBCHXDRO-JTQLQIEISA-N 0 0 170.300 2.199 10 0 AEAERN C[C@H]1C(=O)CCc2cccc(F)c21 259444586 573419005 /nfs/dbraw/zinc/41/90/05/573419005.db2.gz UXXVTCFZAGNONM-ZETCQYMHSA-N 0 0 178.206 2.445 10 0 AEAERN OCc1c(F)cc(F)c(Cl)c1F 258019151 573419084 /nfs/dbraw/zinc/41/90/84/573419084.db2.gz IAVMVOCXIPALFW-UHFFFAOYSA-N 0 0 196.555 2.250 10 0 AEAERN C/C=C\C(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C 308381411 573420287 /nfs/dbraw/zinc/42/02/87/573420287.db2.gz NRIHVZCLDJBYAC-KXKRRDFDSA-N 0 0 195.306 2.456 10 0 AEAERN CCC[C@H](O)C(=O)[C@@H](C)C(C)C 220199813 573420298 /nfs/dbraw/zinc/42/02/98/573420298.db2.gz AWHZUJRCDKUVGV-IUCAKERBSA-N 0 0 172.268 2.009 10 0 AEAERN COc1cc2c(cc1O)CC=CCC2 238390342 573423141 /nfs/dbraw/zinc/42/31/41/573423141.db2.gz JQFGAKXBULLKDL-UHFFFAOYSA-N 0 0 190.242 2.446 10 0 AEAERN CC[C@@H](C)C[C@H](C)[C@@H](C)O 50428139 573423155 /nfs/dbraw/zinc/42/31/55/573423155.db2.gz CGRIEYNIJQGHBV-HRDYMLBCSA-N 0 0 144.258 2.440 10 0 AEAERN Cc1cccc2c1OCC(=O)[C@H]2C 238390446 573423169 /nfs/dbraw/zinc/42/31/69/573423169.db2.gz SSRBEGSRVXIYLL-QMMMGPOBSA-N 0 0 176.215 2.060 10 0 AEAERN C[C@@H]1[C@@H](O)CC[C@@H](C)[C@H]1C 118693062 573423210 /nfs/dbraw/zinc/42/32/10/573423210.db2.gz VFBDMFCFANRDOC-HXFLIBJXSA-N 0 0 142.242 2.049 10 0 AEAERN CCCCOc1ccc(C)nc1N 50440840 573423217 /nfs/dbraw/zinc/42/32/17/573423217.db2.gz LIZQQAGJZNYGCZ-UHFFFAOYSA-N 0 0 180.251 2.151 10 0 AEAERN C[C@H](O)c1ccc([C@H]2CCOC2)cc1 258024711 573423243 /nfs/dbraw/zinc/42/32/43/573423243.db2.gz INOGSULMZOTAGB-CABZTGNLSA-N 0 0 192.258 2.244 10 0 AEAERN COC(=O)/C(C)=C/c1cccc(F)c1 78074001 573423245 /nfs/dbraw/zinc/42/32/45/573423245.db2.gz MSTZLBVDNWAGEI-SOFGYWHQSA-N 0 0 194.205 2.402 10 0 AEAERN CCCc1ccc2c(c1)CC(=O)N2 83138086 573423253 /nfs/dbraw/zinc/42/32/53/573423253.db2.gz INNRHXLUDRRFAX-UHFFFAOYSA-N 0 0 175.231 2.134 10 0 AEAERN C[C@@H]1C(=O)CCc2c(O)cccc21 238390245 573423290 /nfs/dbraw/zinc/42/32/90/573423290.db2.gz YZOICVURNGDOPC-ZETCQYMHSA-N 0 0 176.215 2.011 10 0 AEAERN COc1cc(C)c(F)c([C@H](C)CO)c1 258019305 573423316 /nfs/dbraw/zinc/42/33/16/573423316.db2.gz DHSVJLPYFKBLLM-MRVPVSSYSA-N 0 0 198.237 2.239 10 0 AEAERN CCCC[C@@H](O)c1ccc(F)nc1 686125319 573423410 /nfs/dbraw/zinc/42/34/10/573423410.db2.gz GHZBBINTIWLMHQ-SECBINFHSA-N 0 0 183.226 2.444 10 0 AEAERN O=C1Cc2ccc3c(c2N1)CCCC3 83141772 573423417 /nfs/dbraw/zinc/42/34/17/573423417.db2.gz ORUBDIYUVUMYIN-UHFFFAOYSA-N 0 0 187.242 2.060 10 0 AEAERN COc1cnc(C(C)(C)C)c(O)c1 238391473 573423420 /nfs/dbraw/zinc/42/34/20/573423420.db2.gz CGSMCPMKHGIZKX-UHFFFAOYSA-N 0 0 181.235 2.093 10 0 AEAERN Cc1ccc(F)cc1CC1(O)CC1 258024494 573423471 /nfs/dbraw/zinc/42/34/71/573423471.db2.gz OLRTYRHLXZOXQS-UHFFFAOYSA-N 0 0 180.222 2.202 10 0 AEAERN O[C@H](c1cccs1)C(F)F 83141774 573423511 /nfs/dbraw/zinc/42/35/11/573423511.db2.gz WEBXHOCUSCSVKV-RXMQYKEDSA-N 0 0 164.176 2.047 10 0 AEAERN CC(=O)[C@H](C)c1nc(C2CCC2)no1 83136961 573423576 /nfs/dbraw/zinc/42/35/76/573423576.db2.gz FZHPIMCAQXXFSP-LURJTMIESA-N 0 0 194.234 2.030 10 0 AEAERN CCOc1ccc(C)cc1C[C@@H](C)O 258024693 573423577 /nfs/dbraw/zinc/42/35/77/573423577.db2.gz IMQREAXEEYPHDQ-SNVBAGLBSA-N 0 0 194.274 2.317 10 0 AEAERN CCC(=O)Cc1ccncc1Cl 83138202 573423627 /nfs/dbraw/zinc/42/36/27/573423627.db2.gz WYJJGIFROCTBHK-UHFFFAOYSA-N 0 0 183.638 2.257 10 0 AEAERN N[C@H](c1ccccc1F)C(F)F 83137886 573423639 /nfs/dbraw/zinc/42/36/39/573423639.db2.gz CRDSAOGZECRBBD-SSDOTTSWSA-N 0 0 175.153 2.091 10 0 AEAERN CCCNC(=O)N1[C@@H](C)CCC[C@@H]1C 74921439 573423654 /nfs/dbraw/zinc/42/36/54/573423654.db2.gz VQCDDEORMUDWAO-UWVGGRQHSA-N 0 0 198.310 2.369 10 0 AEAERN Cc1[nH]c2cc(CON)ccc2c1C 258027691 573429735 /nfs/dbraw/zinc/42/97/35/573429735.db2.gz ISGDJWXVHUBUFW-UHFFFAOYSA-N 0 0 190.246 2.175 10 0 AEAERN Cc1cccc(-c2coc(C=O)n2)c1 257812388 573429745 /nfs/dbraw/zinc/42/97/45/573429745.db2.gz BOONKMMSTSYFIL-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN CC(=O)[C@@H]1CN(C)c2cccc(C)c21 258028951 573429761 /nfs/dbraw/zinc/42/97/61/573429761.db2.gz DOEVSQOHATWOGP-JTQLQIEISA-N 0 0 189.258 2.117 10 0 AEAERN CCOc1ccc(NC=O)cc1Cl 83145542 573429779 /nfs/dbraw/zinc/42/97/79/573429779.db2.gz SDOTVTBRQPZBST-UHFFFAOYSA-N 0 0 199.637 2.307 10 0 AEAERN Cc1cc(F)cc([C@@H](C)CO)c1 258021956 573436215 /nfs/dbraw/zinc/43/62/15/573436215.db2.gz ODGXPYKLJJCWNG-QMMMGPOBSA-N 0 0 168.211 2.230 10 0 AEAERN Nc1ccc(Cl)cc1N1CC=CC1 118881787 573436319 /nfs/dbraw/zinc/43/63/19/573436319.db2.gz XUXBKZGIVIQEHT-UHFFFAOYSA-N 0 0 194.665 2.298 10 0 AEAERN NOCc1cc2c(cc1F)CCCC2 258021824 573436373 /nfs/dbraw/zinc/43/63/73/573436373.db2.gz IKHNAEQPZIGLMV-UHFFFAOYSA-N 0 0 195.237 2.095 10 0 AEAERN CC[C@H](C)Oc1ccc(N)cc1OC 50505371 573436386 /nfs/dbraw/zinc/43/63/86/573436386.db2.gz VWPFOXFLBVRPLI-QMMMGPOBSA-N 0 0 195.262 2.455 10 0 AEAERN CC1=NC(=O)OC1c1cccc(O)c1 257812865 573436389 /nfs/dbraw/zinc/43/63/89/573436389.db2.gz BWYIFUFUPMKNOL-UHFFFAOYSA-N 0 0 191.186 2.061 10 0 AEAERN FC(F)[C@@H]1C[C@H](c2ccccc2)N1 257813126 573436484 /nfs/dbraw/zinc/43/64/84/573436484.db2.gz BYCWZWWMHWRBTI-BDAKNGLRSA-N 0 0 183.201 2.355 10 0 AEAERN Cc1cc(CNO)cc(C)c1C 258022049 573436503 /nfs/dbraw/zinc/43/65/03/573436503.db2.gz OETBXXCOJLJRGG-UHFFFAOYSA-N 0 0 165.236 2.091 10 0 AEAERN Nc1cc(Cl)ccc1N1CC=CC1 118881739 573436544 /nfs/dbraw/zinc/43/65/44/573436544.db2.gz CLAGSUSUDZZRIA-UHFFFAOYSA-N 0 0 194.665 2.298 10 0 AEAERN CCc1c(C=O)ccc(OC)c1F 118886098 573436551 /nfs/dbraw/zinc/43/65/51/573436551.db2.gz PBBXBAFWLASAFZ-UHFFFAOYSA-N 0 0 182.194 2.209 10 0 AEAERN Cc1cc(N)c(N2CC=CC2)cc1C 118882087 573436929 /nfs/dbraw/zinc/43/69/29/573436929.db2.gz JSSKUFCAMXEVSS-UHFFFAOYSA-N 0 0 188.274 2.262 10 0 AEAERN COc1cc2c(c(OC)c1)C[C@@H](C)N2 238395408 573437005 /nfs/dbraw/zinc/43/70/05/573437005.db2.gz MIRBYLJYMXZKDT-SSDOTTSWSA-N 0 0 193.246 2.060 10 0 AEAERN COc1cccc2occ([C@H](C)O)c12 258021664 573437059 /nfs/dbraw/zinc/43/70/59/573437059.db2.gz YNFXWJNYOWWXEW-ZETCQYMHSA-N 0 0 192.214 2.495 10 0 AEAERN CO[C@H](C)[C@H]1CCC[C@@H](C)C1=O 238396407 573437146 /nfs/dbraw/zinc/43/71/46/573437146.db2.gz FAKXNGRNAIGYGM-IWSPIJDZSA-N 0 0 170.252 2.027 10 0 AEAERN CC(C)(CO)C1Cc2ccccc2C1 257812994 573437233 /nfs/dbraw/zinc/43/72/33/573437233.db2.gz BZRWFPPUCJRRBR-UHFFFAOYSA-N 0 0 190.286 2.420 10 0 AEAERN Cn1nc(C2CC2)c2cccc(O)c21 257812873 573437239 /nfs/dbraw/zinc/43/72/39/573437239.db2.gz BXESLGAEGUWOBY-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN Cc1cc(C(=O)[O-])cc([C@H](C)[NH3+])c1C 258021539 573437251 /nfs/dbraw/zinc/43/72/51/573437251.db2.gz IEIAKVJCVCJRQC-QMMMGPOBSA-N 0 0 193.246 2.021 10 0 AEAERN Cc1cc(C=O)c(CCC=O)cc1F 258021718 573437282 /nfs/dbraw/zinc/43/72/82/573437282.db2.gz IHTLLMJHBAEJOU-UHFFFAOYSA-N 0 0 194.205 2.078 10 0 AEAERN CCc1[nH]cnc1-c1cccc(N)c1 257812707 573437285 /nfs/dbraw/zinc/43/72/85/573437285.db2.gz BTDAIXPXBGKFAF-UHFFFAOYSA-N 0 0 187.246 2.221 10 0 AEAERN CS[C@H]1C[C@H]2CC[C@@H]1C(=O)C2 238396212 573440278 /nfs/dbraw/zinc/44/02/78/573440278.db2.gz PFLYSGDNDNITMI-OOZYFLPDSA-N 0 0 170.277 2.107 10 0 AEAERN CCC(CC)C(=O)NCc1cc[nH]c1 74988910 573440282 /nfs/dbraw/zinc/44/02/82/573440282.db2.gz AVUOXCDFIXPMAL-UHFFFAOYSA-N 0 0 194.278 2.067 10 0 AEAERN Cc1cc(F)cc([C@H](C)CO)c1 258021954 573440314 /nfs/dbraw/zinc/44/03/14/573440314.db2.gz ODGXPYKLJJCWNG-MRVPVSSYSA-N 0 0 168.211 2.230 10 0 AEAERN COc1cc(O)cc2occ(C)c12 238396381 573440335 /nfs/dbraw/zinc/44/03/35/573440335.db2.gz ZGLKTQORFLGCIY-UHFFFAOYSA-N 0 0 178.187 2.455 10 0 AEAERN COc1ccc([C@H](O)C23CC2C3)cc1 238396194 573440367 /nfs/dbraw/zinc/44/03/67/573440367.db2.gz HYDGDROKEOGMPU-ZYXZCXLHSA-N 0 0 190.242 2.139 10 0 AEAERN COc1[nH]c(=O)cc(C)c1C(F)F 238395345 573440418 /nfs/dbraw/zinc/44/04/18/573440418.db2.gz GZNGNVHBHWHKCK-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN CC1=CCCCC(=O)[C@@H]1C 238395851 573440440 /nfs/dbraw/zinc/44/04/40/573440440.db2.gz ZHDZIPOWGRVIOP-MRVPVSSYSA-N 0 0 138.210 2.322 10 0 AEAERN COc1cnc(C(F)F)c(F)c1 238396156 573440492 /nfs/dbraw/zinc/44/04/92/573440492.db2.gz GPCSNCJBIQSHMD-UHFFFAOYSA-N 0 0 177.125 2.167 10 0 AEAERN Cc1ccc([C@H](F)CCO)cc1 258652340 573440511 /nfs/dbraw/zinc/44/05/11/573440511.db2.gz ZQJVZJBOPRLXOM-SNVBAGLBSA-N 0 0 168.211 2.388 10 0 AEAERN COC(=O)Nc1ccc(F)c(C)c1 74982963 573440589 /nfs/dbraw/zinc/44/05/89/573440589.db2.gz YJIFETABMMPSKN-UHFFFAOYSA-N 0 0 183.182 2.312 10 0 AEAERN C/C=C/[C@H](OC)[C@H](O)c1ccccc1 308581970 573440591 /nfs/dbraw/zinc/44/05/91/573440591.db2.gz KGLDHYGKNXYTRD-AKCLXAHESA-N 0 0 192.258 2.311 10 0 AEAERN Nc1cncc(Oc2ccccc2)c1 118907227 573440668 /nfs/dbraw/zinc/44/06/68/573440668.db2.gz SSHPWMPMSSZOIZ-UHFFFAOYSA-N 0 0 186.214 2.456 10 0 AEAERN CCOCC(C)(C)[C@@H](O)C(C)C 137788234 573440673 /nfs/dbraw/zinc/44/06/73/573440673.db2.gz OVAZXTQJHBIYJI-VIFPVBQESA-N 0 0 174.284 2.066 10 0 AEAERN CCc1oc(=O)[nH]c1C(C)C 258652362 573440714 /nfs/dbraw/zinc/44/07/14/573440714.db2.gz ZQULXRQQUNSYTM-UHFFFAOYSA-N 0 0 155.197 2.066 10 0 AEAERN CCCCC[C@H](C(C)=O)[C@@H](C)O 238218344 573440735 /nfs/dbraw/zinc/44/07/35/573440735.db2.gz YGSFTJKHBGWROR-SCZZXKLOSA-N 0 0 172.268 2.153 10 0 AEAERN COC(=O)Nc1cc(F)ccc1F 74983451 573440772 /nfs/dbraw/zinc/44/07/72/573440772.db2.gz UUOBQGSOBUVHEL-UHFFFAOYSA-N 0 0 187.145 2.143 10 0 AEAERN CS[C@H]1N=CNc2ccccc21 238396643 573443078 /nfs/dbraw/zinc/44/30/78/573443078.db2.gz ZPICVKCCWSGRMC-SECBINFHSA-N 0 0 178.260 2.311 10 0 AEAERN C[C@@H]1Cc2cccc(N(C)C)c2N1 257813578 573443120 /nfs/dbraw/zinc/44/31/20/573443120.db2.gz CEKWTKZXKFIGMF-MRVPVSSYSA-N 0 0 176.263 2.109 10 0 AEAERN Cc1ccn2c(C(C)C)nnc2c1 258023264 573443133 /nfs/dbraw/zinc/44/31/33/573443133.db2.gz BYAIVJRKQJSPMR-UHFFFAOYSA-N 0 0 175.235 2.161 10 0 AEAERN Cc1nc(-c2ccccc2O)c[nH]1 257813536 573443135 /nfs/dbraw/zinc/44/31/35/573443135.db2.gz CCZCYWVHIMVJSR-UHFFFAOYSA-N 0 0 174.203 2.091 10 0 AEAERN COc1ccc(C)c(F)c1[C@H](C)CO 258022594 573443163 /nfs/dbraw/zinc/44/31/63/573443163.db2.gz DPPFTPKKNPONDP-MRVPVSSYSA-N 0 0 198.237 2.239 10 0 AEAERN CC(C)OCOc1cc(F)ccc1N 308586560 573443176 /nfs/dbraw/zinc/44/31/76/573443176.db2.gz IOTLOARVFAJAHU-UHFFFAOYSA-N 0 0 199.225 2.169 10 0 AEAERN Cc1cc2ccc(O)c(C)c2oc1=O 136846332 573443238 /nfs/dbraw/zinc/44/32/38/573443238.db2.gz XSMBCOMOENDKHA-UHFFFAOYSA-N 0 0 190.198 2.115 10 0 AEAERN COc1ccc(NC(C)=O)c(C)c1C 74984154 573443331 /nfs/dbraw/zinc/44/33/31/573443331.db2.gz ZLEYKMCBMFNDPJ-UHFFFAOYSA-N 0 0 193.246 2.270 10 0 AEAERN CCC(=O)NCc1cc(C)ccc1C 74986102 573443369 /nfs/dbraw/zinc/44/33/69/573443369.db2.gz IJEBEYFVATWPRJ-UHFFFAOYSA-N 0 0 191.274 2.330 10 0 AEAERN C[C@@H]1CC2=CCC=C[C@@]2(C)C1=O 238396940 573443417 /nfs/dbraw/zinc/44/34/17/573443417.db2.gz VAACBZNSVNIDAK-LDYMZIIASA-N 0 0 162.232 2.488 10 0 AEAERN C[C@H]1c2ccccc2[C@H](C)C1NC=O 238396515 573443424 /nfs/dbraw/zinc/44/34/24/573443424.db2.gz GDKRMSHGEAYVRF-IUCAKERBSA-N 0 0 189.258 2.022 10 0 AEAERN COc1ccc(C2(CO)CC2)c(C)c1 257813541 573443436 /nfs/dbraw/zinc/44/34/36/573443436.db2.gz AHLUBGVYTBIRHY-UHFFFAOYSA-N 0 0 192.258 2.028 10 0 AEAERN Nc1ccc(-c2ccccc2F)[nH]1 258022791 573443462 /nfs/dbraw/zinc/44/34/62/573443462.db2.gz CBANQLMPCBKWQG-UHFFFAOYSA-N 0 0 176.194 2.403 10 0 AEAERN C[NH2+][C@H](CCCC(=O)[O-])C1CCCC1 259450954 573443518 /nfs/dbraw/zinc/44/35/18/573443518.db2.gz OZCHRDSZZMBRML-SNVBAGLBSA-N 0 0 199.294 2.020 10 0 AEAERN Cc1nc(N)sc1[C@@H](C)F 107256259 573443544 /nfs/dbraw/zinc/44/35/44/573443544.db2.gz ABQFISDDWMLAOO-GSVOUGTGSA-N 0 0 160.217 2.064 10 0 AEAERN CO[C@H](C)c1ccc(O)cc1C 238397034 573443558 /nfs/dbraw/zinc/44/35/58/573443558.db2.gz BADWKKOMKOCOPB-MRVPVSSYSA-N 0 0 166.220 2.408 10 0 AEAERN Cc1nc(Cl)ncc1C(F)F 257816689 573445751 /nfs/dbraw/zinc/44/57/51/573445751.db2.gz DHKOPXDQTMPTCN-UHFFFAOYSA-N 0 0 178.569 2.376 10 0 AEAERN c1ccc2c(c1)C[C@H]1CCN=C1N2 144240587 573445763 /nfs/dbraw/zinc/44/57/63/573445763.db2.gz SSUGSWJWJOCWNW-SECBINFHSA-N 0 0 172.231 2.073 10 0 AEAERN CSc1ccc(N)c(N)c1Cl 144217520 573445778 /nfs/dbraw/zinc/44/57/78/573445778.db2.gz KAHHLSNCVSDOPX-UHFFFAOYSA-N 0 0 188.683 2.226 10 0 AEAERN CCCC(O)=CC(=O)C1CCC1 393665157 573445822 /nfs/dbraw/zinc/44/58/22/573445822.db2.gz LSAOPYQGJGCLRL-UHFFFAOYSA-N 0 0 168.236 2.115 10 0 AEAERN C[C@@H]1CCC(=O)c2ccccc2N1 238398249 573445852 /nfs/dbraw/zinc/44/58/52/573445852.db2.gz ZQUQFUBNVHJXIX-MRVPVSSYSA-N 0 0 175.231 2.464 10 0 AEAERN C[C@@H]1C=C(c2ccccc2)OC1=O 136598273 573445876 /nfs/dbraw/zinc/44/58/76/573445876.db2.gz BFVMDXITKUGNDP-MRVPVSSYSA-N 0 0 174.199 2.220 10 0 AEAERN Nc1ccc2c(c1)[C@@H](F)CC2 107255590 573445943 /nfs/dbraw/zinc/44/59/43/573445943.db2.gz 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0 172.293 2.068 10 0 AEAERN CNC(=O)O[C@@H]1CCc2ccccc21 39258247 571917101 /nfs/dbraw/zinc/91/71/01/571917101.db2.gz BONCHIQFCFRFAL-SNVBAGLBSA-N 0 0 191.230 2.030 10 0 AEAERN C/C=C(\C)CCC(C)=O 39261010 571917115 /nfs/dbraw/zinc/91/71/15/571917115.db2.gz UBAUYTYZPNZXIM-QPJJXVBHSA-N 0 0 126.199 2.322 10 0 AEAERN COc1ccc2c(c1)[C@H](O)[C@H](C)CC2 39255867 571917119 /nfs/dbraw/zinc/91/71/19/571917119.db2.gz SRDJZYVMYHXTOF-PRHODGIISA-N 0 0 192.258 2.311 10 0 AEAERN OCCCc1cccc2c1CCC2 39258710 571917131 /nfs/dbraw/zinc/91/71/31/571917131.db2.gz MBDJSSGRBAAHGD-UHFFFAOYSA-N 0 0 176.259 2.100 10 0 AEAERN C[C@@H]1C=C[C@H]2CCCC(=O)[C@@H]12 39274426 571919895 /nfs/dbraw/zinc/91/98/95/571919895.db2.gz ZTHJRRKSDFPHBS-MRTMQBJTSA-N 0 0 150.221 2.178 10 0 AEAERN CC12CCC(CC1)CC2=O 39267761 571919897 /nfs/dbraw/zinc/91/98/97/571919897.db2.gz GZTLWTPRWISOPC-UHFFFAOYSA-N 0 0 138.210 2.156 10 0 AEAERN COc1cc2c(cc1C)CCC[C@@H]2O 39277389 571919903 /nfs/dbraw/zinc/91/99/03/571919903.db2.gz KRHGYKLPDFONPY-NSHDSACASA-N 0 0 192.258 2.373 10 0 AEAERN Cc1cc(C=O)c(C[C@@H](C)O)cc1C 258033671 573459405 /nfs/dbraw/zinc/45/94/05/573459405.db2.gz JGAGPLGCFUFQGO-SNVBAGLBSA-N 0 0 192.258 2.039 10 0 AEAERN Cc1c(-c2ccccc2)noc1CO 142654786 573459406 /nfs/dbraw/zinc/45/94/06/573459406.db2.gz BRPKEOOSCXOBDJ-UHFFFAOYSA-N 0 0 189.214 2.142 10 0 AEAERN CCOC(=O)[C@H](CC)C(C)(F)F 39342128 571922626 /nfs/dbraw/zinc/92/26/26/571922626.db2.gz NUFHYLCHBMCUQA-LURJTMIESA-N 0 0 180.194 2.231 10 0 AEAERN C[C@@H]1O[C@@H](C)Oc2ccc(O)cc21 39341604 571922629 /nfs/dbraw/zinc/92/26/29/571922629.db2.gz ILEBYHLTNMQMHT-NKWVEPMBSA-N 0 0 180.203 2.208 10 0 AEAERN CCOc1ccc([C@@H](F)CO)cc1 257814125 573459423 /nfs/dbraw/zinc/45/94/23/573459423.db2.gz AOLQSXQFFRARLI-JTQLQIEISA-N 0 0 184.210 2.088 10 0 AEAERN CCOC(=O)C/C=C1/CCSC1 687680586 571923292 /nfs/dbraw/zinc/92/32/92/571923292.db2.gz LJTXIUBWVAOSEN-BAQGIRSFSA-N 0 0 186.276 2.003 10 0 AEAERN CC(=O)[C@@H]1CCCC(F)(F)C1 107265878 573459457 /nfs/dbraw/zinc/45/94/57/573459457.db2.gz PXIFFLQKVVOCKT-SSDOTTSWSA-N 0 0 162.179 2.401 10 0 AEAERN CC12CCC(C)(CC1)C2=O 39422855 571928874 /nfs/dbraw/zinc/92/88/74/571928874.db2.gz SKVSUNMZRFXNAC-UHFFFAOYSA-N 0 0 138.210 2.156 10 0 AEAERN Cc1ncc([C@@H]2CCCC[C@H]2O)s1 687926801 571942577 /nfs/dbraw/zinc/94/25/77/571942577.db2.gz WLWYFTRYTAROQK-RKDXNWHRSA-N 0 0 197.303 2.470 10 0 AEAERN CC(C)(C)CCCC(C)(CO)CO 300805964 571942866 /nfs/dbraw/zinc/94/28/66/571942866.db2.gz FDSXAJNHBAKSAL-UHFFFAOYSA-N 0 0 188.311 2.194 10 0 AEAERN CCOCC[C@H](O)CCCC(F)F 687901519 571942868 /nfs/dbraw/zinc/94/28/68/571942868.db2.gz ASHFDFXSFRYHSK-MRVPVSSYSA-N 0 0 196.237 2.209 10 0 AEAERN O=C1C[C@@H]2CC[C@@H]3C[C@H]1C[C@H]2C3 32203469 571971275 /nfs/dbraw/zinc/97/12/75/571971275.db2.gz WVHSYZJSAJYIFZ-QEYWKRMJSA-N 0 0 164.248 2.402 10 0 AEAERN CC[C@H](Cc1cnn(CC)c1)C(C)=O 50540479 573459498 /nfs/dbraw/zinc/45/94/98/573459498.db2.gz SGVHVUCYYRTRKW-LLVKDONJSA-N 0 0 194.278 2.061 10 0 AEAERN c1nc([C@@H]2CCCO2)n2c1CCCC2 258367282 573459503 /nfs/dbraw/zinc/45/95/03/573459503.db2.gz SFFAHDCMGZUIAI-JTQLQIEISA-N 0 0 192.262 2.071 10 0 AEAERN Cc1cn(C[C@@H](C)O)c2ccccc12 238403394 573459534 /nfs/dbraw/zinc/45/95/34/573459534.db2.gz KROYDSVWJPSRBB-SNVBAGLBSA-N 0 0 189.258 2.331 10 0 AEAERN C[C@H]1CCn2c(nnc2C2CCC2)C1 258385479 573459546 /nfs/dbraw/zinc/45/95/46/573459546.db2.gz UCEIFSTYCBRQRR-QMMMGPOBSA-N 0 0 191.278 2.128 10 0 AEAERN Cc1ccc([C@]2(C)NC[C@H](C)CO2)o1 258385722 573460511 /nfs/dbraw/zinc/46/05/11/573460511.db2.gz HMOUJGXJQQZIFX-GZMMTYOYSA-N 0 0 195.262 2.017 10 0 AEAERN Cc1oc(CN)nc1C1CCCC1 257814569 573460543 /nfs/dbraw/zinc/46/05/43/573460543.db2.gz CMEZUYYXYSPIEX-UHFFFAOYSA-N 0 0 180.251 2.099 10 0 AEAERN NN[C@@H](C1=CCCCC1)c1ccco1 236237346 573460544 /nfs/dbraw/zinc/46/05/44/573460544.db2.gz DGVZSHCLKZDODK-NSHDSACASA-N 0 0 192.262 2.284 10 0 AEAERN COc1c(C(F)F)ncc(C)c1F 238402141 573460549 /nfs/dbraw/zinc/46/05/49/573460549.db2.gz AEDKTFSFDOIEKC-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN CC[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@@H]1C2 40442412 571953459 /nfs/dbraw/zinc/95/34/59/571953459.db2.gz MVPCGBNNDAJRME-KATARQTJSA-N 0 0 182.263 2.232 10 0 AEAERN CCc1cccc(OCC2COC2)c1 113890639 571953463 /nfs/dbraw/zinc/95/34/63/571953463.db2.gz RCWUQAIHSYTMHK-UHFFFAOYSA-N 0 0 192.258 2.274 10 0 AEAERN Cc1cccc(N2CSC2)c1 39082142 571953479 /nfs/dbraw/zinc/95/34/79/571953479.db2.gz IUVNUJVIAALXLP-UHFFFAOYSA-N 0 0 165.261 2.463 10 0 AEAERN CC(C)c1cn2c(CO)csc2n1 40441252 571953498 /nfs/dbraw/zinc/95/34/98/571953498.db2.gz LALXRQSSCBBFIR-UHFFFAOYSA-N 0 0 196.275 2.012 10 0 AEAERN CCC[C@](O)(C1CC1)[C@@H](C)COC 687687666 571953503 /nfs/dbraw/zinc/95/35/03/571953503.db2.gz ZWCUAOHXINXEMN-GXSJLCMTSA-N 0 0 186.295 2.210 10 0 AEAERN CC(C)[C@@H](O)C(F)(F)C(F)(F)F 142629104 573460604 /nfs/dbraw/zinc/46/06/04/573460604.db2.gz OCLHTLTWUKWEJZ-SCSAIBSYSA-N 0 0 192.127 2.201 10 0 AEAERN Cc1cc(=O)n(-c2ccccc2)s1 40421325 571954294 /nfs/dbraw/zinc/95/42/94/571954294.db2.gz HDZOSEIWORKVCL-UHFFFAOYSA-N 0 0 191.255 2.207 10 0 AEAERN Cc1ccc(N2CC[C@@H](C)C2)c(N)c1 40717676 571961584 /nfs/dbraw/zinc/96/15/84/571961584.db2.gz WFQYHHVDPDBWHR-SNVBAGLBSA-N 0 0 190.290 2.423 10 0 AEAERN C/C=C\[C@H](O)c1cccc2c1NCC2 394832396 571961594 /nfs/dbraw/zinc/96/15/94/571961594.db2.gz OVEWEJQBFHVHSB-MORRKMRCSA-N 0 0 189.258 2.264 10 0 AEAERN CCC[C@@H](C)[C@@H](O)c1cc(C)n(C)n1 300820640 571961596 /nfs/dbraw/zinc/96/15/96/571961596.db2.gz DEGYIGPFVBCQID-LDYMZIIASA-N 0 0 196.294 2.198 10 0 AEAERN Cc1noc(C)c1C[C@H]1CCCC1=O 32135253 571964059 /nfs/dbraw/zinc/96/40/59/571964059.db2.gz BJPMECVZYIVUBJ-SECBINFHSA-N 0 0 193.246 2.203 10 0 AEAERN CCCNC(C)=CC(=O)OC(C)(C)C 100320402 571964083 /nfs/dbraw/zinc/96/40/83/571964083.db2.gz FCOVSLFWALWSBI-HJWRWDBZSA-N 0 0 199.294 2.232 10 0 AEAERN CC(C)=C[C@H]1C[C@H](O)C1(C)C 32214142 571971234 /nfs/dbraw/zinc/97/12/34/571971234.db2.gz WWSOMQLBKXRTCK-IUCAKERBSA-N 0 0 154.253 2.360 10 0 AEAERN CSCCCn1ccc([C@@H](C)O)c1 130076753 573465272 /nfs/dbraw/zinc/46/52/72/573465272.db2.gz RRUUHDIJTHYMDE-SECBINFHSA-N 0 0 199.319 2.295 10 0 AEAERN Oc1ccc2c(c1)NCC1(CCC1)N2 258393211 573465002 /nfs/dbraw/zinc/46/50/02/573465002.db2.gz BGZNETQQBIQWAZ-UHFFFAOYSA-N 0 0 190.246 2.152 10 0 AEAERN O=C1N[C@@H](C2CCCCCC2)CCO1 257816008 573465025 /nfs/dbraw/zinc/46/50/25/573465025.db2.gz DGVUUSCMRUOOMK-SNVBAGLBSA-N 0 0 197.278 2.455 10 0 AEAERN C[C@@H]1C=C[C@@H]2C(=O)CCC[C@@H]12 238405050 573465095 /nfs/dbraw/zinc/46/50/95/573465095.db2.gz KBOSPQNLSFLABV-VGMNWLOBSA-N 0 0 150.221 2.178 10 0 AEAERN CCC(=O)c1cnc(C)c(F)c1 142680733 573465173 /nfs/dbraw/zinc/46/51/73/573465173.db2.gz BEVOCXDNYJNONY-UHFFFAOYSA-N 0 0 167.183 2.122 10 0 AEAERN Cc1cc2ccc(CO)cc2cn1 258034859 573465189 /nfs/dbraw/zinc/46/51/89/573465189.db2.gz PKQYAVUMEUCGKI-UHFFFAOYSA-N 0 0 173.215 2.036 10 0 AEAERN COC1(C[C@@H](O)CC2CCC2)CCC1 234826682 571972184 /nfs/dbraw/zinc/97/21/84/571972184.db2.gz IZJNMTMNIIXGIU-NSHDSACASA-N 0 0 198.306 2.497 10 0 AEAERN CCOc1cccc(/C=C\CO)c1 211969233 573465218 /nfs/dbraw/zinc/46/52/18/573465218.db2.gz NQSKBQAAOOMSAS-XQRVVYSFSA-N 0 0 178.231 2.091 10 0 AEAERN COc1ccc2c(c1N)[C@@H](C)CCN2 238405295 573465221 /nfs/dbraw/zinc/46/52/21/573465221.db2.gz SFJJTTAIFUXZFC-ZETCQYMHSA-N 0 0 192.262 2.197 10 0 AEAERN CCCCc1nc(C)ccc1O 13001007 571972577 /nfs/dbraw/zinc/97/25/77/571972577.db2.gz HETQHPISHPTRHO-UHFFFAOYSA-N 0 0 165.236 2.438 10 0 AEAERN CC1=NC(C)(C)C[C@](C)(F)O1 39088798 571972612 /nfs/dbraw/zinc/97/26/12/571972612.db2.gz YTCVFGXGECPHOF-MRVPVSSYSA-N 0 0 159.204 2.289 10 0 AEAERN CC(C)[C@H](C)C[NH2+]CC(F)F 81054907 571972656 /nfs/dbraw/zinc/97/26/56/571972656.db2.gz LOYNPALQNDKCLU-SSDOTTSWSA-N 0 0 165.227 2.133 10 0 AEAERN O=Cc1nc(-c2ccc(F)cc2)c[nH]1 12956348 571972994 /nfs/dbraw/zinc/97/29/94/571972994.db2.gz WKJPUEKHPVWIIA-UHFFFAOYSA-N 0 0 190.177 2.028 10 0 AEAERN COc1cc(Cl)c2ncccc2n1 32232894 571973033 /nfs/dbraw/zinc/97/30/33/571973033.db2.gz KSFVUOKTLCOGNO-UHFFFAOYSA-N 0 0 194.621 2.292 10 0 AEAERN c1ccc(CCc2cccnn2)cc1 32222290 571973060 /nfs/dbraw/zinc/97/30/60/571973060.db2.gz PGRFFRRAHWQALQ-UHFFFAOYSA-N 0 0 184.242 2.262 10 0 AEAERN O=C1CCC[C@H]2CC=CC[C@@H]12 32225187 571973070 /nfs/dbraw/zinc/97/30/70/571973070.db2.gz LFDGSLNQYSSFGI-RKDXNWHRSA-N 0 0 150.221 2.322 10 0 AEAERN O=C1CCC[C@@H]2CC=CC[C@@H]12 32225186 571973093 /nfs/dbraw/zinc/97/30/93/571973093.db2.gz LFDGSLNQYSSFGI-DTWKUNHWSA-N 0 0 150.221 2.322 10 0 AEAERN CSCCCn1ccc([C@H](C)O)c1 130076496 573465244 /nfs/dbraw/zinc/46/52/44/573465244.db2.gz RRUUHDIJTHYMDE-VIFPVBQESA-N 0 0 199.319 2.295 10 0 AEAERN COc1ccc2c(c1)OCCCCN2 258036771 573465245 /nfs/dbraw/zinc/46/52/45/573465245.db2.gz AZBKOFJWPGHHER-UHFFFAOYSA-N 0 0 193.246 2.280 10 0 AEAERN CC(=O)Nc1cc(C)c(C)c(C=O)c1 214638269 571976104 /nfs/dbraw/zinc/97/61/04/571976104.db2.gz SPQBDYYKOZBCKF-UHFFFAOYSA-N 0 0 191.230 2.074 10 0 AEAERN Oc1cccc2c1OC1(CCCC1)O2 139748711 571976109 /nfs/dbraw/zinc/97/61/09/571976109.db2.gz XCUOZYMRMMQPLZ-UHFFFAOYSA-N 0 0 192.214 2.434 10 0 AEAERN N#COc1ccc(Cl)cc1 32296930 571976111 /nfs/dbraw/zinc/97/61/11/571976111.db2.gz BDVNNPOIBWADPU-UHFFFAOYSA-N 0 0 153.568 2.200 10 0 AEAERN Cc1oc2c(O)cc(O)cc2c1C 13484860 571984873 /nfs/dbraw/zinc/98/48/73/571984873.db2.gz RXLSGBFXPGQEHV-UHFFFAOYSA-N 0 0 178.187 2.461 10 0 AEAERN CCCN(C(=O)C(C)(C)C)C1CC1 81560968 571984879 /nfs/dbraw/zinc/98/48/79/571984879.db2.gz KMFCWUPJLXTPGN-UHFFFAOYSA-N 0 0 183.295 2.434 10 0 AEAERN c1coc(-c2cc3nccnc3[nH]2)c1 13492978 571984880 /nfs/dbraw/zinc/98/48/80/571984880.db2.gz PGQDMRRDTMOOLS-UHFFFAOYSA-N 0 0 185.186 2.218 10 0 AEAERN Cc1[nH]c2c(c1C1(O)CC1)CCCC2 214651518 571984887 /nfs/dbraw/zinc/98/48/87/571984887.db2.gz JBAPLDULWWDBSF-UHFFFAOYSA-N 0 0 191.274 2.183 10 0 AEAERN CNc1csc(-c2ccc[nH]2)n1 259461497 573467035 /nfs/dbraw/zinc/46/70/35/573467035.db2.gz WWLGYHFQUSNNCI-UHFFFAOYSA-N 0 0 179.248 2.180 10 0 AEAERN CC[C@@H](Cc1ccoc1)C(C)=O 130116801 573471798 /nfs/dbraw/zinc/47/17/98/573471798.db2.gz NEOIPWNDCAURAZ-JTQLQIEISA-N 0 0 166.220 2.437 10 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BESFLZQHNDIRDL-SNVBAGLBSA-N 0 0 186.295 2.210 10 0 AEAERN COC[C@@H](O)c1cc(Cl)cs1 86521338 573471910 /nfs/dbraw/zinc/47/19/10/573471910.db2.gz GMHWBEGSIFHOMG-ZCFIWIBFSA-N 0 0 192.667 2.081 10 0 AEAERN CCc1nc(C=O)[nH]c1C1CCC1 257820859 573471924 /nfs/dbraw/zinc/47/19/24/573471924.db2.gz FSLHNPKMCJLHKY-UHFFFAOYSA-N 0 0 178.235 2.052 10 0 AEAERN CC(=O)c1cccc(CF)c1 107281020 573471961 /nfs/dbraw/zinc/47/19/61/573471961.db2.gz MTHHIOVSDOLXAI-UHFFFAOYSA-N 0 0 152.168 2.359 10 0 AEAERN CCOC[C@@]1(O)CCC[C@H](C)CC1 86520787 573471983 /nfs/dbraw/zinc/47/19/83/573471983.db2.gz PYLJKLJCNSSOOD-WDEREUQCSA-N 0 0 186.295 2.354 10 0 AEAERN Cc1cccc(-c2nccn2C)c1 41168536 571977963 /nfs/dbraw/zinc/97/79/63/571977963.db2.gz SPIYJPFUPHXMOU-UHFFFAOYSA-N 0 0 172.231 2.396 10 0 AEAERN CCC(CC)[C@H](O)c1cc(C)n(C)n1 300838568 571977978 /nfs/dbraw/zinc/97/79/78/571977978.db2.gz GHFAMWPEGUYERQ-NSHDSACASA-N 0 0 196.294 2.198 10 0 AEAERN CSC[C@@H](C)c1nnc(C(C)C)[nH]1 300833477 571978031 /nfs/dbraw/zinc/97/80/31/571978031.db2.gz HQGUTDZKGXYHCN-SSDOTTSWSA-N 0 0 199.323 2.395 10 0 AEAERN CCCCCc1cnc(N)s1 13223383 571978036 /nfs/dbraw/zinc/97/80/36/571978036.db2.gz AYNGEGJQFSDMCG-UHFFFAOYSA-N 0 0 170.281 2.458 10 0 AEAERN Cc1ccc([C@@H](C)CO)cc1C 41167857 571978054 /nfs/dbraw/zinc/97/80/54/571978054.db2.gz SPEUXKMHBWIERU-JTQLQIEISA-N 0 0 164.248 2.399 10 0 AEAERN C[C@H](CCO)c1cccc(F)c1 41168182 571978060 /nfs/dbraw/zinc/97/80/60/571978060.db2.gz VXGIDGSJACPYHN-MRVPVSSYSA-N 0 0 168.211 2.312 10 0 AEAERN Nc1cnc2[nH]c3ccccc3c2c1 13230300 571978088 /nfs/dbraw/zinc/97/80/88/571978088.db2.gz CXESHFXOJMOTKB-UHFFFAOYSA-N 0 0 183.214 2.298 10 0 AEAERN CCCC[C@H]1CNC(=O)S1 139874899 571978091 /nfs/dbraw/zinc/97/80/91/571978091.db2.gz ANQDBCKIWKVQLE-LURJTMIESA-N 0 0 159.254 2.002 10 0 AEAERN O[C@@H]1CSc2c(Cl)cccc21 196426976 571978131 /nfs/dbraw/zinc/97/81/31/571978131.db2.gz SKPKXJLISPWXHT-SSDOTTSWSA-N 0 0 186.663 2.479 10 0 AEAERN CCc1ccc([C@@H](C)CO)cc1 41167854 571978172 /nfs/dbraw/zinc/97/81/72/571978172.db2.gz RDHUCNXHGFHDEZ-VIFPVBQESA-N 0 0 164.248 2.345 10 0 AEAERN O=C1CCNc2ccc3occc3c21 196426977 571978178 /nfs/dbraw/zinc/97/81/78/571978178.db2.gz LJAVUQSIQVIOAS-UHFFFAOYSA-N 0 0 187.198 2.431 10 0 AEAERN CCc1cccc(C(C)=O)c1O 41167833 571978200 /nfs/dbraw/zinc/97/82/00/571978200.db2.gz NGLBEZLBXYVEMM-UHFFFAOYSA-N 0 0 164.204 2.157 10 0 AEAERN Cc1ccnn1CCCC(F)F 688739331 573472009 /nfs/dbraw/zinc/47/20/09/573472009.db2.gz OMMSCXKXLVSPJC-UHFFFAOYSA-N 0 0 174.194 2.237 10 0 AEAERN CC(C)=C=C[C@H]1C=C[C@@H](O)C1 196432732 571982682 /nfs/dbraw/zinc/98/26/82/571982682.db2.gz IHMNMPFEWRBKFR-VHSXEESVSA-N 0 0 150.221 2.045 10 0 AEAERN Cc1cc(-c2cnc(N)o2)ccc1F 41205820 571982687 /nfs/dbraw/zinc/98/26/87/571982687.db2.gz XATBVWUEKCUOLF-UHFFFAOYSA-N 0 0 192.193 2.371 10 0 AEAERN Cc1ccc2c(c1)C(=O)[C@@H](C)C[C@@H]2O 13460841 571982694 /nfs/dbraw/zinc/98/26/94/571982694.db2.gz IRAXRGIABQUYCO-KWQFWETISA-N 0 0 190.242 2.251 10 0 AEAERN COc1ccc(O)c(-c2ccno2)c1 75067982 573472032 /nfs/dbraw/zinc/47/20/32/573472032.db2.gz VYLIBRMGQGDDDE-UHFFFAOYSA-N 0 0 191.186 2.056 10 0 AEAERN COc1cnc2[nH]cc(C3CC3)c2c1 238410228 573472038 /nfs/dbraw/zinc/47/20/38/573472038.db2.gz UHDSFWQOZQLTGG-UHFFFAOYSA-N 0 0 188.230 2.449 10 0 AEAERN CCOC[C@]1(O)CCC[C@@H](C)[C@@H]1C 86520481 573472041 /nfs/dbraw/zinc/47/20/41/573472041.db2.gz OKCXFQNVKCCLNZ-OUAUKWLOSA-N 0 0 186.295 2.210 10 0 AEAERN COCCCC[C@@]1(O)C=CCCC1 686323634 571997550 /nfs/dbraw/zinc/99/75/50/571997550.db2.gz QWRBMEJQVBHAFT-LLVKDONJSA-N 0 0 184.279 2.274 10 0 AEAERN Cc1cccc(C(=O)COC2CC2)c1 713180482 571997561 /nfs/dbraw/zinc/99/75/61/571997561.db2.gz AVHPQWFAENPRRX-UHFFFAOYSA-N 0 0 190.242 2.357 10 0 AEAERN C[C@@H]1CCC[C@@](C)(CF)C1=O 238414441 573477737 /nfs/dbraw/zinc/47/77/37/573477737.db2.gz GPJHSQFDZIQBBH-APPZFPTMSA-N 0 0 158.216 2.351 10 0 AEAERN Cc1nc(CN)oc1C1CCCCC1 257818301 573477747 /nfs/dbraw/zinc/47/77/47/573477747.db2.gz FBSSNZAYQNDOKT-UHFFFAOYSA-N 0 0 194.278 2.489 10 0 AEAERN COc1ccc([C@@H]2CCCS2)nn1 259466589 573477759 /nfs/dbraw/zinc/47/77/59/573477759.db2.gz NTWJTBISLMZAAS-QMMMGPOBSA-N 0 0 196.275 2.053 10 0 AEAERN CSC[C@@H](CO)CC(C)C 258045412 573477777 /nfs/dbraw/zinc/47/77/77/573477777.db2.gz HGYXDVVTXMDRCO-MRVPVSSYSA-N 0 0 162.298 2.004 10 0 AEAERN CC[C@@H](CCCO)c1ccc(F)nc1 308585399 573477783 /nfs/dbraw/zinc/47/77/83/573477783.db2.gz LZLKEPCGVIDQJM-VIFPVBQESA-N 0 0 197.253 2.487 10 0 AEAERN O[C@H]1Cc2ccc(C(F)(F)F)cc21 257818264 573477784 /nfs/dbraw/zinc/47/77/84/573477784.db2.gz FAHPKEUOHMBVBY-QMMMGPOBSA-N 0 0 188.148 2.295 10 0 AEAERN CCCNc1cc2c(nn1)[C@@H](C)CC2 83389989 573477793 /nfs/dbraw/zinc/47/77/93/573477793.db2.gz SUMDMVMHKFKYIJ-QMMMGPOBSA-N 0 0 191.278 2.348 10 0 AEAERN CCC[C@]1(O)CCC[C@@H]1C 83395455 573477838 /nfs/dbraw/zinc/47/78/38/573477838.db2.gz XSKRTNALFKFADI-IUCAKERBSA-N 0 0 142.242 2.338 10 0 AEAERN C[C@@H]1CC[C@](O)(C2CCCC2)CO1 401839805 571988490 /nfs/dbraw/zinc/98/84/90/571988490.db2.gz SMLOVRKZLSYNHU-MWLCHTKSSA-N 0 0 184.279 2.107 10 0 AEAERN CC[C@H](C[C@@H](O)C(C)C)C(C)=O 300855129 571988534 /nfs/dbraw/zinc/98/85/34/571988534.db2.gz HYLWFMJKKVBEFS-NXEZZACHSA-N 0 0 172.268 2.009 10 0 AEAERN CC(C)C[C@H](C)[C@]1(O)CO[C@H](C)C1 401816322 571988569 /nfs/dbraw/zinc/98/85/69/571988569.db2.gz BKMCCZBVTXCKTO-HBNTYKKESA-N 0 0 186.295 2.209 10 0 AEAERN CC(C)(C)CC[C@H](O)C1=CCCO1 300855431 571988584 /nfs/dbraw/zinc/98/85/84/571988584.db2.gz LNMHMTHATQJLAA-VIFPVBQESA-N 0 0 184.279 2.478 10 0 AEAERN CC(C)OC[C@H]1CCCC[C@@H](O)C1 86529333 573477862 /nfs/dbraw/zinc/47/78/62/573477862.db2.gz XVCNOIFCORUVLE-WDEREUQCSA-N 0 0 186.295 2.353 10 0 AEAERN Cc1cc(C=O)ccc1-c1ncccn1 713178563 571988594 /nfs/dbraw/zinc/98/85/94/571988594.db2.gz AGDXHDDEZSFDQM-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN Cc1nc(C)c(Cc2c[nH]cn2)s1 13802747 571989160 /nfs/dbraw/zinc/98/91/60/571989160.db2.gz PYUCQNFKWWNIKA-UHFFFAOYSA-N 0 0 193.275 2.074 10 0 AEAERN CC(C)N(C=O)C1CCCCC1 13779488 571989191 /nfs/dbraw/zinc/98/91/91/571989191.db2.gz ZDNXEEKXUQSHTM-UHFFFAOYSA-N 0 0 169.268 2.186 10 0 AEAERN CC[C@@H](C[C@H](O)C(C)C)C(C)=O 300855130 571989220 /nfs/dbraw/zinc/98/92/20/571989220.db2.gz HYLWFMJKKVBEFS-UWVGGRQHSA-N 0 0 172.268 2.009 10 0 AEAERN CCc1ccc(NCCCO)cc1 41572082 571989224 /nfs/dbraw/zinc/98/92/24/571989224.db2.gz ZYIWQEDZOHEOHC-UHFFFAOYSA-N 0 0 179.263 2.043 10 0 AEAERN CCCCC(=O)C1=C(O)CCC1 114046904 571989227 /nfs/dbraw/zinc/98/92/27/571989227.db2.gz FFPDKWWLWOZCSI-MRVPVSSYSA-N 0 0 168.236 2.115 10 0 AEAERN C[C@H]1CC[C@@](O)(C2CCCC2)CO1 401839807 571989257 /nfs/dbraw/zinc/98/92/57/571989257.db2.gz SMLOVRKZLSYNHU-ONGXEEELSA-N 0 0 184.279 2.107 10 0 AEAERN Cc1nc(Cc2c[nH]cn2)c(C)s1 13802719 571991240 /nfs/dbraw/zinc/99/12/40/571991240.db2.gz VUQCASYMUPNGSV-UHFFFAOYSA-N 0 0 193.275 2.074 10 0 AEAERN CC(C)C1(C(C)C)CC[C@H](O)O1 39104556 571991256 /nfs/dbraw/zinc/99/12/56/571991256.db2.gz UPHNDYWEQVCGAT-SECBINFHSA-N 0 0 172.268 2.166 10 0 AEAERN CCC(C)(C)Cn1cnc(C=O)c1 713184473 572002635 /nfs/dbraw/zinc/00/26/35/572002635.db2.gz TZVCKPISMACHOH-UHFFFAOYSA-N 0 0 180.251 2.132 10 0 AEAERN CCOC1CC(n2cccc2)C1 233774524 572000283 /nfs/dbraw/zinc/00/02/83/572000283.db2.gz JBFMWYNNEIDDLD-UHFFFAOYSA-N 0 0 165.236 2.228 10 0 AEAERN COc1cc([C@@H](C)O)c(C)cc1C 238413424 573479149 /nfs/dbraw/zinc/47/91/49/573479149.db2.gz AZXDFVIZCFNDQA-SECBINFHSA-N 0 0 180.247 2.365 10 0 AEAERN C[C@@H]1COCO[C@H]1c1ccccc1 39262168 572000344 /nfs/dbraw/zinc/00/03/44/572000344.db2.gz KNYICOMGRQTGKP-MWLCHTKSSA-N 0 0 178.231 2.368 10 0 AEAERN c1ccc(-c2cnsn2)cc1 39214627 572000606 /nfs/dbraw/zinc/00/06/06/572000606.db2.gz UNEXGUNKELZLTG-UHFFFAOYSA-N 0 0 162.217 2.205 10 0 AEAERN Cc1ccc2scc(N)c(=O)c2c1 39209764 572000608 /nfs/dbraw/zinc/00/06/08/572000608.db2.gz JTRBMCKPQMGWHZ-UHFFFAOYSA-N 0 0 191.255 2.152 10 0 AEAERN Cc1cc(C(C)(C)C)nc(C)n1 34165282 572000679 /nfs/dbraw/zinc/00/06/79/572000679.db2.gz DLPZJUPHHINSCE-UHFFFAOYSA-N 0 0 164.252 2.391 10 0 AEAERN CC(C)[C@]1(O)CCC[C@@H]1C 83395217 573479157 /nfs/dbraw/zinc/47/91/57/573479157.db2.gz QUXZVUHRXZJGRJ-DTWKUNHWSA-N 0 0 142.242 2.194 10 0 AEAERN Nc1cccc(OCCCC2CC2)n1 711539097 572000935 /nfs/dbraw/zinc/00/09/35/572000935.db2.gz JENFINHIRBTTSB-UHFFFAOYSA-N 0 0 192.262 2.233 10 0 AEAERN CCCCOC(=O)COC(C)(C)C 34214453 572000939 /nfs/dbraw/zinc/00/09/39/572000939.db2.gz DARALWWAWHQGQM-UHFFFAOYSA-N 0 0 188.267 2.145 10 0 AEAERN Cc1ncoc1-c1ccc(C=O)cc1 76632121 572000983 /nfs/dbraw/zinc/00/09/83/572000983.db2.gz PMFVNGSYJAIEPJ-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN CS[C@@H](C)CCn1cccc1C=O 217323962 572001061 /nfs/dbraw/zinc/00/10/61/572001061.db2.gz DPRKWSIGKFHCKM-VIFPVBQESA-N 0 0 197.303 2.442 10 0 AEAERN Cc1ccccc1-c1cnoc1C=O 257819072 573481493 /nfs/dbraw/zinc/48/14/93/573481493.db2.gz CWTHWGQBKTWSRX-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN Nc1cc(F)ccc1C[C@@H]1CCCO1 257819637 573481498 /nfs/dbraw/zinc/48/14/98/573481498.db2.gz FNJLWAQHNVNYAQ-JTQLQIEISA-N 0 0 195.237 2.129 10 0 AEAERN CC(C)Oc1cc(N(C)C)ccc1N 86551153 573481501 /nfs/dbraw/zinc/48/15/01/573481501.db2.gz AHSIDWUETMBHAH-UHFFFAOYSA-N 0 0 194.278 2.122 10 0 AEAERN O=C1CCCCC[C@@]12CC[C@H](O)C2 223114285 573481538 /nfs/dbraw/zinc/48/15/38/573481538.db2.gz CRDLDPJIALDYCE-ONGXEEELSA-N 0 0 182.263 2.051 10 0 AEAERN CC(C)ON[C@H](C)c1cscn1 393529468 573481549 /nfs/dbraw/zinc/48/15/49/573481549.db2.gz VETICJXRFLZQIA-SSDOTTSWSA-N 0 0 186.280 2.134 10 0 AEAERN Nc1ccccc1/C=C\Cl 143240520 573481581 /nfs/dbraw/zinc/48/15/81/573481581.db2.gz BBXZOHOTCTZZOT-WAYWQWQTSA-N 0 0 153.612 2.478 10 0 AEAERN C[C@H]1CC(=O)Nc2ccc(F)cc21 257818993 573481627 /nfs/dbraw/zinc/48/16/27/573481627.db2.gz FEGZAKUSONCOPX-LURJTMIESA-N 0 0 179.194 2.271 10 0 AEAERN CC1CCC(OC[C@H](O)C2CC2)CC1 68910897 572006649 /nfs/dbraw/zinc/00/66/49/572006649.db2.gz WHHKKGGGTPEEIH-NHNAUAITSA-N 0 0 198.306 2.353 10 0 AEAERN CC(C)C(C)(C)Cn1ccnc1C=O 713188836 572006663 /nfs/dbraw/zinc/00/66/63/572006663.db2.gz OXCNADQIBLBUIS-UHFFFAOYSA-N 0 0 194.278 2.378 10 0 AEAERN CC[C@@H](C)[S@](=O)c1ccc(N)cc1 42197154 572006676 /nfs/dbraw/zinc/00/66/76/572006676.db2.gz QMZUFSHNKPMOIN-AMIZOPFISA-N 0 0 197.303 2.175 10 0 AEAERN C[C@@H](C[C@@H](C)O)n1cc(C2CC2)cn1 402042106 572006685 /nfs/dbraw/zinc/00/66/85/572006685.db2.gz KKPQPDLTNDPDSW-DTWKUNHWSA-N 0 0 194.278 2.092 10 0 AEAERN CC(C)C[C@H](C)OC[C@H](O)C1CC1 68910991 572006723 /nfs/dbraw/zinc/00/67/23/572006723.db2.gz BAVZXYCCYCHSQN-ONGXEEELSA-N 0 0 186.295 2.209 10 0 AEAERN Cc1cc(O)cc2c1CC[C@@H](C)C2=O 238415334 573481668 /nfs/dbraw/zinc/48/16/68/573481668.db2.gz RMVCRDYVMUHGCD-SSDOTTSWSA-N 0 0 190.242 2.466 10 0 AEAERN CCCCCc1cccn1CCO 238248828 573481697 /nfs/dbraw/zinc/48/16/97/573481697.db2.gz OZTNYNOOFXXWAO-UHFFFAOYSA-N 0 0 181.279 2.213 10 0 AEAERN CC[C@@H](C)[S@@](=O)c1ccc(N)cc1 42197150 572008571 /nfs/dbraw/zinc/00/85/71/572008571.db2.gz QMZUFSHNKPMOIN-OQPBUACISA-N 0 0 197.303 2.175 10 0 AEAERN CCn1cnc2cc(OC)ccc21 39277248 572008593 /nfs/dbraw/zinc/00/85/93/572008593.db2.gz OOYWUJOGJNQRCK-UHFFFAOYSA-N 0 0 176.219 2.065 10 0 AEAERN 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238276487 572505474 /nfs/dbraw/zinc/50/54/74/572505474.db2.gz DTRMSKMZUDKSJF-SNVBAGLBSA-N 0 0 174.284 2.210 10 0 AEAERN CCSC(=O)NC(=O)CC(C)C 238275689 572505479 /nfs/dbraw/zinc/50/54/79/572505479.db2.gz QWDBUMGNISBTTM-UHFFFAOYSA-N 0 0 189.280 2.022 10 0 AEAERN CCO[C@H]1CC(=O)[C@H]1CC(C)C 238293110 572532801 /nfs/dbraw/zinc/53/28/01/572532801.db2.gz NTCXJBYRVXVVCE-SCZZXKLOSA-N 0 0 170.252 2.027 10 0 AEAERN C[C@@H]1CCCc2c(NC3CC3)n[nH]c21 62669007 572507239 /nfs/dbraw/zinc/50/72/39/572507239.db2.gz SGYGTXBWLLGGFL-SSDOTTSWSA-N 0 0 191.278 2.424 10 0 AEAERN CN(CC(C)(C)C)c1ncccc1N 45070986 572507241 /nfs/dbraw/zinc/50/72/41/572507241.db2.gz TVGRJXBKUWWFBB-UHFFFAOYSA-N 0 0 193.294 2.146 10 0 AEAERN CCC[C@@H]1COC[C@@H]1C(=O)CC 238273686 572507280 /nfs/dbraw/zinc/50/72/80/572507280.db2.gz ZLMXZUXUQUWMTD-BDAKNGLRSA-N 0 0 170.252 2.028 10 0 AEAERN Oc1ccccc1C[C@@H]1CCCOC1 257823754 573513210 /nfs/dbraw/zinc/51/32/10/573513210.db2.gz GQVHIMKPEXKOSI-JTQLQIEISA-N 0 0 192.258 2.361 10 0 AEAERN 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2.118 10 0 AEAERN Cc1nc(CC[C@@H](O)C(C)C)cs1 84274723 572524367 /nfs/dbraw/zinc/52/43/67/572524367.db2.gz XOHHTCIHZVLKMU-SNVBAGLBSA-N 0 0 199.319 2.401 10 0 AEAERN COCCCC[C@H](O)c1ccc(C)o1 308602428 573513307 /nfs/dbraw/zinc/51/33/07/573513307.db2.gz VFAKQQXWRCHOSW-JTQLQIEISA-N 0 0 198.262 2.438 10 0 AEAERN CCc1nccn1[C@@H]1CCCC(=O)C1 86601695 573513789 /nfs/dbraw/zinc/51/37/89/573513789.db2.gz CRIIGNJLNRSLTN-SECBINFHSA-N 0 0 192.262 2.130 10 0 AEAERN CC(C)c1ccccc1NCO 258729977 573513869 /nfs/dbraw/zinc/51/38/69/573513869.db2.gz VCJUTNCQEHSBOG-UHFFFAOYSA-N 0 0 165.236 2.172 10 0 AEAERN Cc1ccoc1-c1nc(C)c(C=O)[nH]1 74275127 572535307 /nfs/dbraw/zinc/53/53/07/572535307.db2.gz FPNGWXMKQCROAI-UHFFFAOYSA-N 0 0 190.202 2.099 10 0 AEAERN CCOc1ccc(/C=C\CO)cc1 90156124 572535681 /nfs/dbraw/zinc/53/56/81/572535681.db2.gz GFSWFUCBLILOSX-ARJAWSKDSA-N 0 0 178.231 2.091 10 0 AEAERN O=Cc1cccnc1-c1nccs1 74274445 572535776 /nfs/dbraw/zinc/53/57/76/572535776.db2.gz CXPUKOLBJRFBIS-UHFFFAOYSA-N 0 0 190.227 2.018 10 0 AEAERN CCOCc1cc(C)c(O)c(OC)c1 238294349 572535820 /nfs/dbraw/zinc/53/58/20/572535820.db2.gz GVNMXBUEKWVNLO-UHFFFAOYSA-N 0 0 196.246 2.246 10 0 AEAERN CCOCc1cc(C=O)cc(N=O)c1 238294458 572535824 /nfs/dbraw/zinc/53/58/24/572535824.db2.gz XWMVFZZLJCCRRR-UHFFFAOYSA-N 0 0 193.202 2.434 10 0 AEAERN Nc1c(-c2ccco2)noc1C1CC1 74274985 572535852 /nfs/dbraw/zinc/53/58/52/572535852.db2.gz NMGWSAQMYRZVHR-UHFFFAOYSA-N 0 0 190.202 2.394 10 0 AEAERN Oc1ccccc1C[C@H]1CCCOC1 257823755 573513944 /nfs/dbraw/zinc/51/39/44/573513944.db2.gz GQVHIMKPEXKOSI-SNVBAGLBSA-N 0 0 192.258 2.361 10 0 AEAERN Cc1nc(-c2c[nH]c(C=O)c2)oc1C 74275037 572537189 /nfs/dbraw/zinc/53/71/89/572537189.db2.gz CTLBPZFUKVZOGA-UHFFFAOYSA-N 0 0 190.202 2.099 10 0 AEAERN O=Cc1cc(-c2cccnc2)ns1 74274484 572537198 /nfs/dbraw/zinc/53/71/98/572537198.db2.gz FLXDXFHQDFRXSD-UHFFFAOYSA-N 0 0 190.227 2.018 10 0 AEAERN C/C=C\CC[C@H](O)CC 90196664 572537254 /nfs/dbraw/zinc/53/72/54/572537254.db2.gz GNODLGXMSNMNAM-QIUOEGRZSA-N 0 0 128.215 2.114 10 0 AEAERN C=C/C=C\CCc1nccnc1OC 713720773 572537506 /nfs/dbraw/zinc/53/75/06/572537506.db2.gz CBLMNDHRSYOACX-PLNGDYQASA-N 0 0 190.246 2.160 10 0 AEAERN O[C@@H]1CC[C@H](c2ccsc2)C1 83454071 573513959 /nfs/dbraw/zinc/51/39/59/573513959.db2.gz VQHLYWIAPWGHOT-IONNQARKSA-N 0 0 168.261 2.377 10 0 AEAERN CN[C@@H](C1=CCCCC1)C(F)F 234464573 572537539 /nfs/dbraw/zinc/53/75/39/572537539.db2.gz GBFFVQZODYYSHO-QMMMGPOBSA-N 0 0 175.222 2.340 10 0 AEAERN CC1=C[C@@H](c2ccccc2)N[C@@H](C)N1 238422485 573513965 /nfs/dbraw/zinc/51/39/65/573513965.db2.gz WPJNNOKBAZBEPV-JQWIXIFHSA-N 0 0 188.274 2.170 10 0 AEAERN OCNc1ccccc1C(F)(F)F 258719485 573514054 /nfs/dbraw/zinc/51/40/54/573514054.db2.gz TXYHOJINKAVHNS-UHFFFAOYSA-N 0 0 191.152 2.067 10 0 AEAERN OCNc1cccc(Cl)c1Cl 258736180 573519079 /nfs/dbraw/zinc/51/90/79/573519079.db2.gz VRAPAANGDNCQMT-UHFFFAOYSA-N 0 0 192.045 2.355 10 0 AEAERN C[C@H]1CCCn2cnc(Cl)c21 258402074 573518694 /nfs/dbraw/zinc/51/86/94/573518694.db2.gz VBWZWJNZDBLZJX-LURJTMIESA-N 0 0 170.643 2.434 10 0 AEAERN C[C@H](O)C=C=Cc1ccccc1 238423475 573518700 /nfs/dbraw/zinc/51/87/00/573518700.db2.gz PVVHIZRLYUXQAK-MDNDIQLQSA-N 0 0 160.216 2.236 10 0 AEAERN Fc1ccc(Oc2cncnc2)cc1 258739269 573518708 /nfs/dbraw/zinc/51/87/08/573518708.db2.gz WCGBVNIDVDFUFJ-UHFFFAOYSA-N 0 0 190.177 2.408 10 0 AEAERN CC(=O)[C@@]1(C)CCC[C@H]1C 238424486 573518721 /nfs/dbraw/zinc/51/87/21/573518721.db2.gz GFPARBIWGRTBRS-APPZFPTMSA-N 0 0 140.226 2.402 10 0 AEAERN CCOC(=O)N(C)[C@@H](C)C1(C)CC1 308400645 573518750 /nfs/dbraw/zinc/51/87/50/573518750.db2.gz GVGFUWRTHVXSPV-QMMMGPOBSA-N 0 0 185.267 2.263 10 0 AEAERN C[C@@H]1Nc2cc(N)ccc2[C@H]1C 238424190 573518765 /nfs/dbraw/zinc/51/87/65/573518765.db2.gz NPVUZHXSPJOPPP-BQBZGAKWSA-N 0 0 162.236 2.186 10 0 AEAERN Cc1[nH]c2c(C)ccc(O)c2c1C=O 257823144 573518766 /nfs/dbraw/zinc/51/87/66/573518766.db2.gz GNDLMVVZRKSLAJ-UHFFFAOYSA-N 0 0 189.214 2.303 10 0 AEAERN COc1nccc(C(F)F)c1F 238423563 573518771 /nfs/dbraw/zinc/51/87/71/573518771.db2.gz WMLIUIKCUWZTCE-UHFFFAOYSA-N 0 0 177.125 2.167 10 0 AEAERN C[C@@]12CCC=C[C@@H]1CC(=O)C2 238424615 573518849 /nfs/dbraw/zinc/51/88/49/573518849.db2.gz RXVDHNIHAMRMDV-SCZZXKLOSA-N 0 0 150.221 2.322 10 0 AEAERN C[C@@H]1Nc2ccc(O)cc2S1 238424581 573518860 /nfs/dbraw/zinc/51/88/60/573518860.db2.gz CLZCUYMGBMYHNQ-RXMQYKEDSA-N 0 0 167.233 2.256 10 0 AEAERN COC[C@H]1CCc2c(O)cccc2C1 257822473 573518872 /nfs/dbraw/zinc/51/88/72/573518872.db2.gz GGJUDWAZQVWEML-VIFPVBQESA-N 0 0 192.258 2.144 10 0 AEAERN CC(=O)[C@H](C)[C@H](O)c1ccccc1C 238424056 573518902 /nfs/dbraw/zinc/51/89/02/573518902.db2.gz KSCWLUIXNRXJIY-CABZTGNLSA-N 0 0 192.258 2.254 10 0 AEAERN CO[C@]1(C)NC=Cc2ccccc21 238423979 573518933 /nfs/dbraw/zinc/51/89/33/573518933.db2.gz DCZKIFRRGMELEE-NSHDSACASA-N 0 0 175.231 2.080 10 0 AEAERN CCc1c(Cl)ccc2c1OCC2=O 714111991 572615667 /nfs/dbraw/zinc/61/56/67/572615667.db2.gz AIAFAUPVYIIDGV-UHFFFAOYSA-N 0 0 196.633 2.478 10 0 AEAERN COCCO[C@H](C)c1ccccc1O 238360141 572619115 /nfs/dbraw/zinc/61/91/15/572619115.db2.gz VONYMSYECAVRQX-SECBINFHSA-N 0 0 196.246 2.116 10 0 AEAERN FC(F)(F)C1(c2ccco2)COC1 258732905 573518952 /nfs/dbraw/zinc/51/89/52/573518952.db2.gz PNZDAOLHFMAHGT-UHFFFAOYSA-N 0 0 192.136 2.110 10 0 AEAERN C[C@@H]1Nc2ccc(N)cc2S1 238424515 573518955 /nfs/dbraw/zinc/51/89/55/573518955.db2.gz OWIKCLVKUDSNEY-RXMQYKEDSA-N 0 0 166.249 2.132 10 0 AEAERN CCC(C)(C)O[C@H]1CCC(=O)C1 86619478 573519027 /nfs/dbraw/zinc/51/90/27/573519027.db2.gz RUPDKBHNWBLEBS-VIFPVBQESA-N 0 0 170.252 2.313 10 0 AEAERN COCc1c[nH]c2cc(F)ccc12 258046724 573519039 /nfs/dbraw/zinc/51/90/39/573519039.db2.gz NVZGPOPCKJEWME-UHFFFAOYSA-N 0 0 179.194 2.453 10 0 AEAERN Cc1ccccc1O[C@H]1CCC(=O)C1 86619424 573519067 /nfs/dbraw/zinc/51/90/67/573519067.db2.gz RAGFKNPDOHMBJH-NSHDSACASA-N 0 0 190.242 2.495 10 0 AEAERN Cc1ccnc(-c2ccccc2C=O)n1 257826927 573523553 /nfs/dbraw/zinc/52/35/53/573523553.db2.gz FYUUZLDHLVCLEC-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN C[C@H](O)[C@H]1C/C1=C\c1ccccc1 238425812 573523554 /nfs/dbraw/zinc/52/35/54/573523554.db2.gz BCNLRSZJWJLLOB-HRPQUPTPSA-N 0 0 174.243 2.471 10 0 AEAERN C[C@H](CO)C1(C)SCCCS1 238430049 573530650 /nfs/dbraw/zinc/53/06/50/573530650.db2.gz FGBJHYLGYUUJHY-SSDOTTSWSA-N 0 0 192.349 2.201 10 0 AEAERN O=c1[nH]c(-c2ccccc2F)co1 257827516 573530654 /nfs/dbraw/zinc/53/06/54/573530654.db2.gz HYOPHBTVZBQODZ-UHFFFAOYSA-N 0 0 179.150 2.186 10 0 AEAERN Nc1cnoc1C1CCCCC1 74337705 572663318 /nfs/dbraw/zinc/66/33/18/572663318.db2.gz VRRJLKWXNROXRX-UHFFFAOYSA-N 0 0 166.224 2.305 10 0 AEAERN C[C@H]1C[C@@H]1C(=O)[C@@H]1CCCCS1 87680531 572663367 /nfs/dbraw/zinc/66/33/67/572663367.db2.gz FNZSWVIPYUNDAF-CIUDSAMLSA-N 0 0 184.304 2.497 10 0 AEAERN Fc1cc(F)cc(Nc2[nH]cc[nH+]2)c1 236148620 572677884 /nfs/dbraw/zinc/67/78/84/572677884.db2.gz FJRIHDRBHUQYLW-UHFFFAOYSA-N 0 0 195.172 2.432 10 0 AEAERN Cc1cccc(-c2conc2C=O)c1 257827250 573530730 /nfs/dbraw/zinc/53/07/30/573530730.db2.gz HTDFZCMSPKPOPZ-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN CO[C@H](C)CNc1cccc(C)c1N 234787962 572678096 /nfs/dbraw/zinc/67/80/96/572678096.db2.gz XTBQIFVBQUZEMW-SECBINFHSA-N 0 0 194.278 2.024 10 0 AEAERN Cc1ccc([C@@H](O)[C@H]2CCOC2)s1 48628819 572678125 /nfs/dbraw/zinc/67/81/25/572678125.db2.gz PYUYYCCGHLGHBT-WPRPVWTQSA-N 0 0 198.287 2.126 10 0 AEAERN COC(=O)c1cc(CC(C)(C)C)no1 259490002 573531360 /nfs/dbraw/zinc/53/13/60/573531360.db2.gz OPIGPWZYDXHIDY-UHFFFAOYSA-N 0 0 197.234 2.050 10 0 AEAERN C=C=CCCCC[C@H](C)O 238429713 573531374 /nfs/dbraw/zinc/53/13/74/573531374.db2.gz LBOKLFCPANNYBS-VIFPVBQESA-N 0 0 140.226 2.269 10 0 AEAERN C[C@@H]1C=CC[C@@H](C)[C@@H](C)C1=O 238430324 573531388 /nfs/dbraw/zinc/53/13/88/573531388.db2.gz LYRYBTFOEDFNIU-IWSPIJDZSA-N 0 0 152.237 2.424 10 0 AEAERN C[C@@H](F)c1ccccc1CON 258058222 573531399 /nfs/dbraw/zinc/53/13/99/573531399.db2.gz SHAQYYSVSKTVES-SSDOTTSWSA-N 0 0 169.199 2.107 10 0 AEAERN CC(=O)c1cc(C)cc(F)c1O 107330918 573531421 /nfs/dbraw/zinc/53/14/21/573531421.db2.gz OMCOXMCTCJEVDJ-UHFFFAOYSA-N 0 0 168.167 2.042 10 0 AEAERN CC(C)(F)c1cccc(CON)c1 258059155 573531431 /nfs/dbraw/zinc/53/14/31/573531431.db2.gz LEGNJPLJMXJQKU-UHFFFAOYSA-N 0 0 183.226 2.282 10 0 AEAERN C[NH2+][C@H](OC)c1c[nH]c2ccccc12 259111392 573531445 /nfs/dbraw/zinc/53/14/45/573531445.db2.gz FSDHCCSIMPOWIT-LLVKDONJSA-N 0 0 190.246 2.032 10 0 AEAERN Cc1nc([C@@H]2CCCO2)sc1C=O 258058443 573531479 /nfs/dbraw/zinc/53/14/79/573531479.db2.gz KNFQMUWMQDOYMQ-ZETCQYMHSA-N 0 0 197.259 2.116 10 0 AEAERN CN[C@@H](c1ccc(C)cc1C)N(C)C 259490822 573531480 /nfs/dbraw/zinc/53/14/80/573531480.db2.gz LDIUTEAKYNGJGT-GFCCVEGCSA-N 0 0 192.306 2.083 10 0 AEAERN C[C@@H]1CCN(C)c2ccccc2[C@@H]1O 238429524 573531499 /nfs/dbraw/zinc/53/14/99/573531499.db2.gz UEUKHQQVTUWBQD-BXKDBHETSA-N 0 0 191.274 2.196 10 0 AEAERN C=C=CCCCC[C@@H](C)O 238430369 573531578 /nfs/dbraw/zinc/53/15/78/573531578.db2.gz LBOKLFCPANNYBS-SECBINFHSA-N 0 0 140.226 2.269 10 0 AEAERN C[C@H](O)c1ccc2c(c1)OCCC2 258058350 573531598 /nfs/dbraw/zinc/53/15/98/573531598.db2.gz SITXCOMKCFZKPV-QMMMGPOBSA-N 0 0 178.231 2.065 10 0 AEAERN Cc1cccn1COCC(C)C 714527165 572680610 /nfs/dbraw/zinc/68/06/10/572680610.db2.gz WSINUJPPELVACE-UHFFFAOYSA-N 0 0 167.252 2.427 10 0 AEAERN COC1CC(O)(CC2CCCCC2)C1 234790168 572680651 /nfs/dbraw/zinc/68/06/51/572680651.db2.gz WKTPBCTTZQUCKT-UHFFFAOYSA-N 0 0 198.306 2.497 10 0 AEAERN CCC/C=C\CCNOCC 307867862 572680710 /nfs/dbraw/zinc/68/07/10/572680710.db2.gz KDASNPYYFRZKDK-SREVYHEPSA-N 0 0 157.257 2.274 10 0 AEAERN CCCN[C@](CC)(COC)C(F)F 87689273 572680880 /nfs/dbraw/zinc/68/08/80/572680880.db2.gz AYRHXKLNSWKDEC-SECBINFHSA-N 0 0 195.253 2.046 10 0 AEAERN C[C@@H](O)C(C)(C)[C@H](O)CC(C)(C)C 238421053 572700486 /nfs/dbraw/zinc/70/04/86/572700486.db2.gz BNJWFKPXBAADML-RKDXNWHRSA-N 0 0 188.311 2.191 10 0 AEAERN C[C@@H]1CCN1C(=O)Nc1ccccc1 238429312 573531941 /nfs/dbraw/zinc/53/19/41/573531941.db2.gz YHKBTKUJOUWLDX-SECBINFHSA-N 0 0 190.246 2.313 10 0 AEAERN CSc1cnc(C)nc1Cl 238433747 573535359 /nfs/dbraw/zinc/53/53/59/573535359.db2.gz BIXWXCSHUVMXSA-UHFFFAOYSA-N 0 0 174.656 2.160 10 0 AEAERN CC(=O)[C@H]1CNc2cccc(Cl)c21 258059519 573535394 /nfs/dbraw/zinc/53/53/94/573535394.db2.gz LQWDMIKHNSLGSA-SSDOTTSWSA-N 0 0 195.649 2.438 10 0 AEAERN Cc1ccc(OC2CC2)c(CCO)c1 258053755 573535401 /nfs/dbraw/zinc/53/54/01/573535401.db2.gz KWFPTAOEGXTNNC-UHFFFAOYSA-N 0 0 192.258 2.071 10 0 AEAERN COC(=N)CSC1CCCC1 83500860 573535402 /nfs/dbraw/zinc/53/54/02/573535402.db2.gz BARFGEHAHIMIAQ-UHFFFAOYSA-N 0 0 173.281 2.286 10 0 AEAERN COc1ccc(C2(C)COC2)cc1C 258502497 573535403 /nfs/dbraw/zinc/53/54/03/573535403.db2.gz DYKTYIUHVQZERF-UHFFFAOYSA-N 0 0 192.258 2.292 10 0 AEAERN Cc1cccc(-c2c[nH]nc2N)c1F 258053734 573535413 /nfs/dbraw/zinc/53/54/13/573535413.db2.gz KVROQHQHZIOBLX-UHFFFAOYSA-N 0 0 191.209 2.106 10 0 AEAERN CC(C)SC[C@H](O)C(C)C 83488604 573535417 /nfs/dbraw/zinc/53/54/17/573535417.db2.gz HJBRJTHJARNYLT-QMMMGPOBSA-N 0 0 162.298 2.145 10 0 AEAERN COc1cccc(CF)c1C[C@H](C)O 258053703 573535487 /nfs/dbraw/zinc/53/54/87/573535487.db2.gz KUYAAQFQHWZMBO-QMMMGPOBSA-N 0 0 198.237 2.088 10 0 AEAERN Cc1cc(C)c([C@H](C)O)c(C)c1N 238433854 573535521 /nfs/dbraw/zinc/53/55/21/573535521.db2.gz ONOOUCQPTIMFES-VIFPVBQESA-N 0 0 179.263 2.247 10 0 AEAERN CC[C@@](C)(O)Cc1ccsc1 83503280 573535608 /nfs/dbraw/zinc/53/56/08/573535608.db2.gz YGASEBYQBKSESM-SECBINFHSA-N 0 0 170.277 2.452 10 0 AEAERN C[C@@](O)(Cc1cccs1)C1CC1 83503418 573535633 /nfs/dbraw/zinc/53/56/33/573535633.db2.gz KVBURWKPOCUEPZ-SNVBAGLBSA-N 0 0 182.288 2.452 10 0 AEAERN C[C@H]1C(=O)CO[C@]1(C)C(C)(C)C 238434074 573535674 /nfs/dbraw/zinc/53/56/74/573535674.db2.gz SQOBNGGKOIOCMQ-XVKPBYJWSA-N 0 0 170.252 2.027 10 0 AEAERN C=C/C=C\[C@H](O)CC=C(C)C 307880893 572721674 /nfs/dbraw/zinc/72/16/74/572721674.db2.gz RMIIMBYYMIDGOK-OMMCCPJFSA-N 0 0 152.237 2.446 10 0 AEAERN CCc1ccc([C@@](C)(F)CO)cc1 257828315 573535698 /nfs/dbraw/zinc/53/56/98/573535698.db2.gz IGAKEFZUXGUPFE-NSHDSACASA-N 0 0 182.238 2.426 10 0 AEAERN CC(C)(O)Cc1cccc(F)c1F 83503226 573535708 /nfs/dbraw/zinc/53/57/08/573535708.db2.gz XGWUZOZEYYUJQK-UHFFFAOYSA-N 0 0 186.201 2.278 10 0 AEAERN C[C@@H]1CC=C[C@@H]2CCC(=O)[C@@H]21 238430635 573535725 /nfs/dbraw/zinc/53/57/25/573535725.db2.gz YMRMRSSENSQQDH-NQMVMOMDSA-N 0 0 150.221 2.178 10 0 AEAERN C[C@@H]1CCC[C@H](c2nc(O)c[nH]2)C1 235328235 572736045 /nfs/dbraw/zinc/73/60/45/572736045.db2.gz ACUXUYLIMYOJHQ-SFYZADRCSA-N 0 0 180.251 2.409 10 0 AEAERN CCCC[C@](C)(O)C1CC1 83503398 573536149 /nfs/dbraw/zinc/53/61/49/573536149.db2.gz JXJMHAQNDYIDJA-VIFPVBQESA-N 0 0 142.242 2.338 10 0 AEAERN Cc1cccc2c1OCC(=O)[C@@H]2C 238434088 573536153 /nfs/dbraw/zinc/53/61/53/573536153.db2.gz SSRBEGSRVXIYLL-MRVPVSSYSA-N 0 0 176.215 2.060 10 0 AEAERN C[C@H]1C(=O)CCc2sccc21 238433983 573536256 /nfs/dbraw/zinc/53/62/56/573536256.db2.gz OFBCSPMZSYRTFQ-ZCFIWIBFSA-N 0 0 166.245 2.367 10 0 AEAERN COc1c(F)cc(C)cc1C(C)=O 107344056 573536287 /nfs/dbraw/zinc/53/62/87/573536287.db2.gz XNAXIKHGGWKCKA-UHFFFAOYSA-N 0 0 182.194 2.345 10 0 AEAERN C[C@](O)(Cc1cccs1)C1CC1 83503419 573536294 /nfs/dbraw/zinc/53/62/94/573536294.db2.gz KVBURWKPOCUEPZ-JTQLQIEISA-N 0 0 182.288 2.452 10 0 AEAERN Cc1cccc2c1CC[C@H](O)C21CC1 259494322 573536312 /nfs/dbraw/zinc/53/63/12/573536312.db2.gz YGJAUVHRCJNMOC-LBPRGKRZSA-N 0 0 188.270 2.334 10 0 AEAERN C[C@H]1CCCn2c(C3CCC3)nnc21 258052744 573536354 /nfs/dbraw/zinc/53/63/54/573536354.db2.gz AKRRXPPDGKOTLW-QMMMGPOBSA-N 0 0 191.278 2.443 10 0 AEAERN CC[C@@H](C)[C@@H](C)/C=C/[N+](=O)[O-] 224253956 573536415 /nfs/dbraw/zinc/53/64/15/573536415.db2.gz FCXSTBTVGQFANC-KTERXBQFSA-N 0 0 157.213 2.459 10 0 AEAERN C[C@@H]1C[C@@H](O)[C@@H](C(C)(C)C)C1 238431365 573536418 /nfs/dbraw/zinc/53/64/18/573536418.db2.gz CMYGOIKFVRYAKT-XHNCKOQMSA-N 0 0 156.269 2.440 10 0 AEAERN C[C@H](O)c1ccc(C(C)(C)CO)cc1 258056025 573536518 /nfs/dbraw/zinc/53/65/18/573536518.db2.gz KXONNTPUDHSMCJ-VIFPVBQESA-N 0 0 194.274 2.010 10 0 AEAERN CCCc1nc2cc(Cl)ccn2n1 258055320 573536535 /nfs/dbraw/zinc/53/65/35/573536535.db2.gz UDIRMQDXFGHGFF-UHFFFAOYSA-N 0 0 195.653 2.335 10 0 AEAERN N[C@H](c1ccco1)C(F)(F)C(F)F 86638853 573536538 /nfs/dbraw/zinc/53/65/38/573536538.db2.gz MGTUCDJQVKGITL-RXMQYKEDSA-N 0 0 197.131 2.180 10 0 AEAERN CC1(C)CC(=O)CN1c1ccccc1 259493289 573536540 /nfs/dbraw/zinc/53/65/40/573536540.db2.gz SHKSVMXFOBGBML-UHFFFAOYSA-N 0 0 189.258 2.244 10 0 AEAERN C[C@H](O)[C@]1(c2ccccc2)CCCO1 238431209 573536548 /nfs/dbraw/zinc/53/65/48/573536548.db2.gz INOFOEGPKSMCGX-JQWIXIFHSA-N 0 0 192.258 2.073 10 0 AEAERN CCc1ccc(C(C)=O)c(OC)c1 107337226 573536558 /nfs/dbraw/zinc/53/65/58/573536558.db2.gz XNJVUSSTSQALHQ-UHFFFAOYSA-N 0 0 178.231 2.460 10 0 AEAERN Cc1[nH]c(=O)n2ccc3ccccc3c12 238475547 572736317 /nfs/dbraw/zinc/73/63/17/572736317.db2.gz MUCOWCSPVPYYDY-UHFFFAOYSA-N 0 0 198.225 2.089 10 0 AEAERN CC(=O)c1ccnn1C1CCCC1 107337301 573536611 /nfs/dbraw/zinc/53/66/11/573536611.db2.gz HBNXDKRNYZVVRL-UHFFFAOYSA-N 0 0 178.235 2.201 10 0 AEAERN COc1cccc(CF)c1C[C@@H](C)O 258053701 573536630 /nfs/dbraw/zinc/53/66/30/573536630.db2.gz KUYAAQFQHWZMBO-MRVPVSSYSA-N 0 0 198.237 2.088 10 0 AEAERN C[C@@H]1CCC(=O)N[C@H](C(C)(C)C)C1 238434287 573536668 /nfs/dbraw/zinc/53/66/68/573536668.db2.gz XKPNGGBPPAKXQQ-BDAKNGLRSA-N 0 0 183.295 2.337 10 0 AEAERN CNc1[nH]cc(Cc2ccccc2)[nH+]1 258760636 573536682 /nfs/dbraw/zinc/53/66/82/573536682.db2.gz KRADAWWCMNAEAS-UHFFFAOYSA-N 0 0 187.246 2.042 10 0 AEAERN CC(C)Cc1[nH]c(=O)[nH]c1C(C)C 257829396 573541495 /nfs/dbraw/zinc/54/14/95/573541495.db2.gz IUZWGPLDWJWPCL-UHFFFAOYSA-N 0 0 182.267 2.437 10 0 AEAERN C[C@@H]1CCC(=O)[C@@H]2CC[C@]12C 238435041 573541509 /nfs/dbraw/zinc/54/15/09/573541509.db2.gz AQRABYRDRFFHED-KHQFGBGNSA-N 0 0 152.237 2.402 10 0 AEAERN C[C@H](O)/C=C\[C@H](C)[C@H]1CCCCC1=O 308617781 573541511 /nfs/dbraw/zinc/54/15/11/573541511.db2.gz BKACGLHMROEUPZ-ZPSZJNPZSA-N 0 0 196.290 2.319 10 0 AEAERN Cc1nc(-n2ccnc2C)sc1C 83533612 573541570 /nfs/dbraw/zinc/54/15/70/573541570.db2.gz HOUMFJYDMNJEOR-UHFFFAOYSA-N 0 0 193.275 2.254 10 0 AEAERN CNc1nnc(-c2ccc(C)cc2)o1 107349813 573541771 /nfs/dbraw/zinc/54/17/71/573541771.db2.gz LIEJFYWXMOEECC-UHFFFAOYSA-N 0 0 189.218 2.087 10 0 AEAERN C[C@H](O)/C=C\[C@H](C)[C@@H]1CCCCC1=O 308617778 573541775 /nfs/dbraw/zinc/54/17/75/573541775.db2.gz BKACGLHMROEUPZ-VQPFVQDKSA-N 0 0 196.290 2.319 10 0 AEAERN Cc1ccncc1CC[C@H](O)C(C)C 85443001 572747446 /nfs/dbraw/zinc/74/74/46/572747446.db2.gz NZDDEMBJOJOPCJ-LBPRGKRZSA-N 0 0 193.290 2.340 10 0 AEAERN COc1c(F)cc(C)cc1CC(C)=O 107364170 573545570 /nfs/dbraw/zinc/54/55/70/573545570.db2.gz KFQFEIQCMOSXPL-UHFFFAOYSA-N 0 0 196.221 2.274 10 0 AEAERN CC1=C[C@H](C)C[C@@H]([C@@H](C)O)C1 235249167 572751708 /nfs/dbraw/zinc/75/17/08/572751708.db2.gz GKELZOOCALNYCR-FXBDTBDDSA-N 0 0 154.253 2.360 10 0 AEAERN CO[C@H]1CCCC[C@@]1(O)c1ccoc1 234822493 572751722 /nfs/dbraw/zinc/75/17/22/572751722.db2.gz GBQXRUPKCURFCA-WDEREUQCSA-N 0 0 196.246 2.056 10 0 AEAERN C[C@@H](CO)[C@@H]1CCc2ccc(O)cc21 257824759 573545622 /nfs/dbraw/zinc/54/56/22/573545622.db2.gz GXTWKAAPPKGBFI-KWQFWETISA-N 0 0 192.258 2.050 10 0 AEAERN CC(C)[C@H](O)CCC(F)(F)F 70915493 572754338 /nfs/dbraw/zinc/75/43/38/572754338.db2.gz AYRRVBPMWMJJGK-ZCFIWIBFSA-N 0 0 170.174 2.346 10 0 AEAERN O=C(CCC(F)(F)F)C1CC1 70915083 572754358 /nfs/dbraw/zinc/75/43/58/572754358.db2.gz WNEAMDRSZSYPEN-UHFFFAOYSA-N 0 0 166.142 2.308 10 0 AEAERN Cc1cccc([C@H]2CC[C@H]2CO)c1 257824473 573545640 /nfs/dbraw/zinc/54/56/40/573545640.db2.gz GVWBGQQNRBFISG-NWDGAFQWSA-N 0 0 176.259 2.481 10 0 AEAERN CC(C)(C)c1nnc(NC2CC2)s1 107366213 573545648 /nfs/dbraw/zinc/54/56/48/573545648.db2.gz NDEOJMVUDNWNDS-UHFFFAOYSA-N 0 0 197.307 2.410 10 0 AEAERN COc1ccc(C2=C[C@H](O)CC2)cc1 83549163 573545650 /nfs/dbraw/zinc/54/56/50/573545650.db2.gz XTKFDCYDAZXOLZ-LLVKDONJSA-N 0 0 190.242 2.233 10 0 AEAERN Cc1cccc(-c2c[nH]nc2C=O)c1 257824900 573545891 /nfs/dbraw/zinc/54/58/91/573545891.db2.gz GGUWNPHWXGORSK-UHFFFAOYSA-N 0 0 186.214 2.198 10 0 AEAERN C[C@H](O)CC[C@H]1C[C@@H](C)OC1(C)C 238435539 573545893 /nfs/dbraw/zinc/54/58/93/573545893.db2.gz XQOZRYHMWBYBHB-AEJSXWLSSA-N 0 0 186.295 2.351 10 0 AEAERN C[C@@H]1CCC(=O)c2cnccc21 238436293 573545911 /nfs/dbraw/zinc/54/59/11/573545911.db2.gz DLHJJMWDIRZXTH-SSDOTTSWSA-N 0 0 161.204 2.162 10 0 AEAERN OC[C@H]1CC[C@H]1c1cccc(F)c1 257824391 573545912 /nfs/dbraw/zinc/54/59/12/573545912.db2.gz GSGFUXKFMVLCQF-KOLCDFICSA-N 0 0 180.222 2.312 10 0 AEAERN Cc1cccc([C@@H]2CC[C@H]2CO)c1 257824474 573545944 /nfs/dbraw/zinc/54/59/44/573545944.db2.gz GVWBGQQNRBFISG-RYUDHWBXSA-N 0 0 176.259 2.481 10 0 AEAERN Cc1c(C=O)cc2c(c1Cl)OCO2 107367023 573545950 /nfs/dbraw/zinc/54/59/50/573545950.db2.gz PXEBIDNVBWBVDE-UHFFFAOYSA-N 0 0 198.605 2.190 10 0 AEAERN Cc1cccc([C@@H]2CC[C@@H]2CO)c1 257824472 573545984 /nfs/dbraw/zinc/54/59/84/573545984.db2.gz GVWBGQQNRBFISG-NEPJUHHUSA-N 0 0 176.259 2.481 10 0 AEAERN O=Cc1c(F)ccc(NCl)c1F 95617041 573545986 /nfs/dbraw/zinc/54/59/86/573545986.db2.gz UJLAVDGUWNDWHY-UHFFFAOYSA-N 0 0 191.564 2.343 10 0 AEAERN C[C@H]1C(=O)NCc2cc(Cl)ccc21 238436441 573546002 /nfs/dbraw/zinc/54/60/02/573546002.db2.gz DBIRKQGLKWLNJQ-ZCFIWIBFSA-N 0 0 195.649 2.073 10 0 AEAERN C[C@H]1[C@H]2C[C@H]([C@H](O)C2)C1(C)C 238436755 573546021 /nfs/dbraw/zinc/54/60/21/573546021.db2.gz YIYPAKVVVALVFC-RBXMUDONSA-N 0 0 154.253 2.049 10 0 AEAERN CC(=O)c1ccc(N2CC[C@H]2C)cc1 86662606 573546060 /nfs/dbraw/zinc/54/60/60/573546060.db2.gz KUEMBSXXPTYNLW-SECBINFHSA-N 0 0 189.258 2.488 10 0 AEAERN CC(C)[C@@H](CO)N(C)c1cccs1 258769721 573546064 /nfs/dbraw/zinc/54/60/64/573546064.db2.gz HTCLNIUPKKIJPL-SECBINFHSA-N 0 0 199.319 2.201 10 0 AEAERN NCc1ncc(CC2CCCCC2)o1 83554518 573546090 /nfs/dbraw/zinc/54/60/90/573546090.db2.gz HRHRHKWVPFJHLR-UHFFFAOYSA-N 0 0 194.278 2.256 10 0 AEAERN Cc1csc(CC(=O)C(C)C)n1 55266823 572757906 /nfs/dbraw/zinc/75/79/06/572757906.db2.gz CPHNIFVZJRGLCG-UHFFFAOYSA-N 0 0 183.276 2.219 10 0 AEAERN OC[C@@H]1CCc2cc(Cl)ccc2N1 107366283 573546122 /nfs/dbraw/zinc/54/61/22/573546122.db2.gz SCNJYNSLUUZKIB-VIFPVBQESA-N 0 0 197.665 2.059 10 0 AEAERN CCCCO[C@@H]1C[C@@H](O)[C@@]1(C)CC 85510288 572757937 /nfs/dbraw/zinc/75/79/37/572757937.db2.gz GWTPWIXMVSELOS-GMTAPVOTSA-N 0 0 186.295 2.353 10 0 AEAERN C[C@@H](O)C1(Cc2ccc(O)cc2)CC1 235254168 572757944 /nfs/dbraw/zinc/75/79/44/572757944.db2.gz QWKDFPPKXAOIBA-SECBINFHSA-N 0 0 192.258 2.096 10 0 AEAERN CCC1(CC)[C@@H](OC2CCC2)C[C@H]1O 85511059 572757945 /nfs/dbraw/zinc/75/79/45/572757945.db2.gz WCEQANCKEAAZCY-MNOVXSKESA-N 0 0 198.306 2.495 10 0 AEAERN CCC1(CC)[C@H](O)C[C@H]1OCC1CC1 85509439 572757953 /nfs/dbraw/zinc/75/79/53/572757953.db2.gz MSNURHJHJPXCTJ-GHMZBOCLSA-N 0 0 198.306 2.353 10 0 AEAERN COC(=O)CCCNc1ccsc1 85534686 572757959 /nfs/dbraw/zinc/75/79/59/572757959.db2.gz HTDZRHBZPQACIJ-UHFFFAOYSA-N 0 0 199.275 2.113 10 0 AEAERN CC1=CC2=Nc3ccccc3CN2C1=O 238520878 572757966 /nfs/dbraw/zinc/75/79/66/572757966.db2.gz ITNXZKVSQABBAV-UHFFFAOYSA-N 0 0 198.225 2.019 10 0 AEAERN CC(=O)C(F)(F)[C@H]1CCCS1 257825077 573546146 /nfs/dbraw/zinc/54/61/46/573546146.db2.gz GZTYVLJVOAAGNP-ZCFIWIBFSA-N 0 0 180.219 2.106 10 0 AEAERN Cc1cc(O)cc(C)c1CC[C@H](C)O 238435826 573546162 /nfs/dbraw/zinc/54/61/62/573546162.db2.gz FDAWLEFORNASFA-JTQLQIEISA-N 0 0 194.274 2.322 10 0 AEAERN CC(C)C[C@@H](C)OC1CC(=O)C1 85505078 572760267 /nfs/dbraw/zinc/76/02/67/572760267.db2.gz UFBNZVRHEZYOIX-MRVPVSSYSA-N 0 0 170.252 2.169 10 0 AEAERN CCC[C@@H](NOCC)C1CC1 307923187 572760296 /nfs/dbraw/zinc/76/02/96/572760296.db2.gz NKJAMOLBJFSFRW-SECBINFHSA-N 0 0 157.257 2.106 10 0 AEAERN CCCCO[C@H]1C[C@H](O)C12CCCC2 85510315 572760309 /nfs/dbraw/zinc/76/03/09/572760309.db2.gz QLTCBVJBXITNDJ-QWRGUYRKSA-N 0 0 198.306 2.497 10 0 AEAERN Cc1nc(C[C@H](O)C(C)(C)C)cs1 55294341 572760317 /nfs/dbraw/zinc/76/03/17/572760317.db2.gz KMMKMQALGAKSGD-VIFPVBQESA-N 0 0 199.319 2.401 10 0 AEAERN Cc1nc(C[C@@H](O)C(C)(C)C)cs1 55294342 572760333 /nfs/dbraw/zinc/76/03/33/572760333.db2.gz KMMKMQALGAKSGD-SECBINFHSA-N 0 0 199.319 2.401 10 0 AEAERN CCCCCO[C@H]1C[C@H](O)C1(C)C 85510405 572760411 /nfs/dbraw/zinc/76/04/11/572760411.db2.gz JALOVZKKJVIEPX-UWVGGRQHSA-N 0 0 186.295 2.353 10 0 AEAERN CCOC(=O)CCNc1ccsc1 85534825 572760420 /nfs/dbraw/zinc/76/04/20/572760420.db2.gz AQRGLQMSZGWWID-UHFFFAOYSA-N 0 0 199.275 2.113 10 0 AEAERN CC[C@@H](CO)c1nc(C)c(C)s1 259502180 573549165 /nfs/dbraw/zinc/54/91/65/573549165.db2.gz OBOAVSHBQILJOB-QMMMGPOBSA-N 0 0 185.292 2.246 10 0 AEAERN Nc1ccc([C@H](F)[C@@H]2CCOC2)cc1 258062982 573549180 /nfs/dbraw/zinc/54/91/80/573549180.db2.gz KVSOPPAZFZQGAP-KOLCDFICSA-N 0 0 195.237 2.316 10 0 AEAERN CC(=O)c1ccc(N2CC[C@@H]2C)cc1 86662607 573549182 /nfs/dbraw/zinc/54/91/82/573549182.db2.gz KUEMBSXXPTYNLW-VIFPVBQESA-N 0 0 189.258 2.488 10 0 AEAERN CCC[C@@H](O)c1ccc(C)cc1N 257825960 573549218 /nfs/dbraw/zinc/54/92/18/573549218.db2.gz HGTQKLHESOBMHZ-LLVKDONJSA-N 0 0 179.263 2.411 10 0 AEAERN O[C@@H]1C=C(c2ccsc2)CC1 83548975 573549253 /nfs/dbraw/zinc/54/92/53/573549253.db2.gz CUTJJQJFASBEAB-VIFPVBQESA-N 0 0 166.245 2.286 10 0 AEAERN CC(=O)c1cccc(N2CC(C)C2)c1 86662610 573549278 /nfs/dbraw/zinc/54/92/78/573549278.db2.gz VHPMKGPFGNLGAL-UHFFFAOYSA-N 0 0 189.258 2.345 10 0 AEAERN CC(=O)c1ccccc1CC(C)(C)O 259501759 573549317 /nfs/dbraw/zinc/54/93/17/573549317.db2.gz QZUZPVYFLDNVJV-UHFFFAOYSA-N 0 0 192.258 2.203 10 0 AEAERN C/C=C\CCNc1cc(C)c(C)nn1 308628738 573549331 /nfs/dbraw/zinc/54/93/31/573549331.db2.gz YBARLWNBHJYRQK-PLNGDYQASA-N 0 0 191.278 2.472 10 0 AEAERN CC[C@H](O)c1ccccc1/C=C\CO 308627924 573549344 /nfs/dbraw/zinc/54/93/44/573549344.db2.gz PQFOIFAWUIGFRJ-HWPRWLFBSA-N 0 0 192.258 2.136 10 0 AEAERN CNc1nc(C)c(C(=O)C(C)C)s1 107366894 573549371 /nfs/dbraw/zinc/54/93/71/573549371.db2.gz SRWLUEIDYUSYMF-UHFFFAOYSA-N 0 0 198.291 2.332 10 0 AEAERN Cc1c(C=O)[nH]c2c(C)cc(O)cc12 257825855 573549391 /nfs/dbraw/zinc/54/93/91/573549391.db2.gz HKIKHAQWDRHUBG-UHFFFAOYSA-N 0 0 189.214 2.303 10 0 AEAERN CO[C@H](c1nccc(F)n1)C(C)(C)C 689969888 573549400 /nfs/dbraw/zinc/54/94/00/573549400.db2.gz HMIXCFWODPVZAX-MRVPVSSYSA-N 0 0 198.241 2.349 10 0 AEAERN O=C(CCC1CC1)C1(O)CCCC1 236472983 572761289 /nfs/dbraw/zinc/76/12/89/572761289.db2.gz ZOWMWLWBDXDXJI-UHFFFAOYSA-N 0 0 182.263 2.051 10 0 AEAERN CCCC1(CCC)C[C@@]1(C[NH3+])C(=O)[O-] 13643077 572761330 /nfs/dbraw/zinc/76/13/30/572761330.db2.gz AKJJFCPNUBGFKX-LLVKDONJSA-N 0 0 199.294 2.006 10 0 AEAERN COC[C@H]1CCc2cc(F)ccc2N1 107361721 573549432 /nfs/dbraw/zinc/54/94/32/573549432.db2.gz KIQDGHZEIKSBSP-SNVBAGLBSA-N 0 0 195.237 2.199 10 0 AEAERN O[C@H]1C=C(Cc2cccs2)CC1 83549070 573549493 /nfs/dbraw/zinc/54/94/93/573549493.db2.gz SOLQUGJBAFJLRV-SECBINFHSA-N 0 0 180.272 2.372 10 0 AEAERN COC[C@H]1CCc2cccc(F)c2N1 107361732 573549498 /nfs/dbraw/zinc/54/94/98/573549498.db2.gz FHFCFHNPECNDOU-SECBINFHSA-N 0 0 195.237 2.199 10 0 AEAERN C[C@H](CCO)C[C@H](O)c1ccccc1 308629483 573549514 /nfs/dbraw/zinc/54/95/14/573549514.db2.gz RWNWRJYNRPBJSE-PWSUYJOCSA-N 0 0 194.274 2.129 10 0 AEAERN CCCCC1=C[C@@H](O)CC1 83548580 573549525 /nfs/dbraw/zinc/54/95/25/573549525.db2.gz COJKCJSOPZSRDU-VIFPVBQESA-N 0 0 140.226 2.258 10 0 AEAERN C[C@@H]1CC[C@@H](C)C(F)(F)C1=O 238438711 573554681 /nfs/dbraw/zinc/55/46/81/573554681.db2.gz VWPYUOFZIUBZFL-PHDIDXHHSA-N 0 0 162.179 2.257 10 0 AEAERN C[C@H]1CCCC[C@H]1n1cc(CO)cn1 238438585 573556912 /nfs/dbraw/zinc/55/69/12/573556912.db2.gz MXGCCMYGPKXAHQ-GXSJLCMTSA-N 0 0 194.278 2.127 10 0 AEAERN C[C@@H]1CCN1c1ccc(F)c(N)c1 86678464 573556978 /nfs/dbraw/zinc/55/69/78/573556978.db2.gz QASINXUQPMCIPP-SSDOTTSWSA-N 0 0 180.226 2.007 10 0 AEAERN COC(=O)C/C=C\c1ccccc1F 258061073 573557002 /nfs/dbraw/zinc/55/70/02/573557002.db2.gz DSMUGVADDUVNAR-XQRVVYSFSA-N 0 0 194.205 2.402 10 0 AEAERN C[C@H](O)c1cccc2c1O[C@H](C)C2 258061769 573557019 /nfs/dbraw/zinc/55/70/19/573557019.db2.gz LWPPMMZFLCCPCQ-SFYZADRCSA-N 0 0 178.231 2.063 10 0 AEAERN Cc1cccc2c1N[C@H]([C@@H](C)O)CC2 238439128 573557030 /nfs/dbraw/zinc/55/70/30/573557030.db2.gz RYRNOOOQESURPE-KOLCDFICSA-N 0 0 191.274 2.103 10 0 AEAERN CC[C@@](C)(O)CCC1CCOCC1 393535346 573557047 /nfs/dbraw/zinc/55/70/47/573557047.db2.gz CGYYJACXHFDVIK-LLVKDONJSA-N 0 0 186.295 2.354 10 0 AEAERN C[C@@H](O)[C@@H]1CC[C@@](C)(c2ccco2)O1 238439090 573557153 /nfs/dbraw/zinc/55/71/53/573557153.db2.gz ATUHQZPMSVFTIU-YWVKMMECSA-N 0 0 196.246 2.055 10 0 AEAERN CNc1csc(CC(C)C)n1 258773363 573557156 /nfs/dbraw/zinc/55/71/56/573557156.db2.gz LIJVMCVQWTZCGW-UHFFFAOYSA-N 0 0 170.281 2.383 10 0 AEAERN CC[C@@H](O)CC(=O)c1ccc(C)cc1 238269034 573557213 /nfs/dbraw/zinc/55/72/13/573557213.db2.gz UNAWOCVVVSPACT-LLVKDONJSA-N 0 0 192.258 2.339 10 0 AEAERN CCN[C@H](C1CCC1)C(F)(F)F 85703242 572776882 /nfs/dbraw/zinc/77/68/82/572776882.db2.gz QGFZXVIQLPOLAU-SSDOTTSWSA-N 0 0 181.201 2.327 10 0 AEAERN CC[C@@H](C)OCC1(CO)CCCC1 393536605 573557265 /nfs/dbraw/zinc/55/72/65/573557265.db2.gz KTLVJXBIGPECHI-SNVBAGLBSA-N 0 0 186.295 2.354 10 0 AEAERN OCCCCCC[C@@H]1CCC[C@H]1O 236477669 572777065 /nfs/dbraw/zinc/77/70/65/572777065.db2.gz AIYNELVAYBWNHF-GHMZBOCLSA-N 0 0 186.295 2.090 10 0 AEAERN CC/C=C\CO[C@@H]1CCCC[C@H]1O 308117638 572777778 /nfs/dbraw/zinc/77/77/78/572777778.db2.gz CNFROCYOCXVPKV-KQLCGWBMSA-N 0 0 184.279 2.273 10 0 AEAERN CCCCn1ncc(N)c1C(F)F 85634679 572777838 /nfs/dbraw/zinc/77/78/38/572777838.db2.gz UAHYMDAZYDSXQV-UHFFFAOYSA-N 0 0 189.209 2.203 10 0 AEAERN C/C=C\Oc1ccc(O)c(OC)c1 308117858 572777874 /nfs/dbraw/zinc/77/78/74/572777874.db2.gz XQWYQSYRICIFBC-UTCJRWHESA-N 0 0 180.203 2.313 10 0 AEAERN CCc1cc(Cl)ns1 107397428 573559590 /nfs/dbraw/zinc/55/95/90/573559590.db2.gz HOVBRKQNWLGXHV-UHFFFAOYSA-N 0 0 147.630 2.359 10 0 AEAERN C=Cc1ccnc2cccnc12 145177998 573559592 /nfs/dbraw/zinc/55/95/92/573559592.db2.gz QHRQOUIXZFIWJB-UHFFFAOYSA-N 0 0 156.188 2.273 10 0 AEAERN Cn1ccc([C@H](O)CC2CCCC2)n1 83572122 573559622 /nfs/dbraw/zinc/55/96/22/573559622.db2.gz XNAKDSIKCYXJOR-LLVKDONJSA-N 0 0 194.278 2.034 10 0 AEAERN NCC(F)(F)[C@H](F)c1ccccc1 257830666 573559652 /nfs/dbraw/zinc/55/96/52/573559652.db2.gz JAUJONVJSGWJPZ-MRVPVSSYSA-N 0 0 189.180 2.291 10 0 AEAERN O=Cc1nc(C2CCCCC2)c[nH]1 75408068 573559673 /nfs/dbraw/zinc/55/96/73/573559673.db2.gz KBYKXHCFGAVPDN-UHFFFAOYSA-N 0 0 178.235 2.270 10 0 AEAERN COc1c(C(F)F)c(C)c[nH]c1=O 238440339 573559745 /nfs/dbraw/zinc/55/97/45/573559745.db2.gz WGSCFJJOSWXWMX-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN COC[C@@]1(C)Cc2cc(C)ccc2N1 258060475 573559746 /nfs/dbraw/zinc/55/97/46/573559746.db2.gz GFQFASMNQONBIV-GFCCVEGCSA-N 0 0 191.274 2.368 10 0 AEAERN NNc1cc(C2CC2)nc2ccccc12 71009080 572778744 /nfs/dbraw/zinc/77/87/44/572778744.db2.gz UTRRQYWXKLFAGH-UHFFFAOYSA-N 0 0 199.257 2.398 10 0 AEAERN Cc1[nH]c2cc(=O)ccc-2nc1Cl 258060790 573559773 /nfs/dbraw/zinc/55/97/73/573559773.db2.gz KTHABFXPCFGCIR-UHFFFAOYSA-N 0 0 194.621 2.297 10 0 AEAERN CC[C@]1(C[C@]2(C)C[C@@H]2C)CCC(=O)N1 714714751 573559776 /nfs/dbraw/zinc/55/97/76/573559776.db2.gz BZCSPXAYXJFZPV-ZMLRMANQSA-N 0 0 195.306 2.481 10 0 AEAERN Cc1cc(N)c2nc(C)sc2c1 75398060 573559777 /nfs/dbraw/zinc/55/97/77/573559777.db2.gz QTTIKRPVNMSICK-UHFFFAOYSA-N 0 0 178.260 2.495 10 0 AEAERN C[C@H]1CN(C)c2c(C=O)cccc21 258061729 573559793 /nfs/dbraw/zinc/55/97/93/573559793.db2.gz LVYBRUUGAKDBCF-QMMMGPOBSA-N 0 0 175.231 2.052 10 0 AEAERN O=C(CCCO)CC1CCCCC1 236481341 572783502 /nfs/dbraw/zinc/78/35/02/572783502.db2.gz FJKKKGXSCHHRNS-UHFFFAOYSA-N 0 0 184.279 2.298 10 0 AEAERN O=C(CCCO)c1ccccc1Cl 236486078 572785531 /nfs/dbraw/zinc/78/55/31/572785531.db2.gz CXEFXWMWRZOVMF-UHFFFAOYSA-N 0 0 198.649 2.295 10 0 AEAERN OCCC[C@@H](O)C1CCCCCC1 236489199 572785545 /nfs/dbraw/zinc/78/55/45/572785545.db2.gz RPGBHSBAMHEUST-LLVKDONJSA-N 0 0 186.295 2.090 10 0 AEAERN CC(C)(C)COc1cnoc1 258776036 573559907 /nfs/dbraw/zinc/55/99/07/573559907.db2.gz XBRLNIXESDENBL-UHFFFAOYSA-N 0 0 155.197 2.100 10 0 AEAERN Cc1cc(C)c2c(c1)[C@H](O)c1cccn1-2 238547750 572787122 /nfs/dbraw/zinc/78/71/22/572787122.db2.gz PMFJSJDBIBYMOJ-ZDUSSCGKSA-N 0 0 199.253 2.489 10 0 AEAERN O=C(CCCCCCCO)C1CC1 236489307 572787180 /nfs/dbraw/zinc/78/71/80/572787180.db2.gz JADDEMUHFWYCIJ-UHFFFAOYSA-N 0 0 184.279 2.298 10 0 AEAERN Oc1ccccc1[C@@H]1C[C@H]1F 259507417 573561213 /nfs/dbraw/zinc/56/12/13/573561213.db2.gz ZCXJYXCACCNUNU-JGVFFNPUSA-N 0 0 152.168 2.218 10 0 AEAERN C[C@H]1CCN1c1ccc2c(c1)CCN2 86678386 573561231 /nfs/dbraw/zinc/56/12/31/573561231.db2.gz ZTOXQASYAAQCEO-VIFPVBQESA-N 0 0 188.274 2.253 10 0 AEAERN Nc1ccc(-c2ccc[nH]2)s1 257564352 572795221 /nfs/dbraw/zinc/79/52/21/572795221.db2.gz HRDVIFNLEXSTED-UHFFFAOYSA-N 0 0 164.233 2.325 10 0 AEAERN Cc1ncc(-c2cccc(O)c2)cn1 107131700 572795227 /nfs/dbraw/zinc/79/52/27/572795227.db2.gz FIPZOXOPVJBRKD-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN CC(C)Cc1ccoc1N 257563917 572795251 /nfs/dbraw/zinc/79/52/51/572795251.db2.gz AUIYEPSHTGSYRA-UHFFFAOYSA-N 0 0 139.198 2.060 10 0 AEAERN Cc1nocc1Cc1csc(N)c1 257563462 572795256 /nfs/dbraw/zinc/79/52/56/572795256.db2.gz CWENUTSIMGNJEN-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN Cc1ncc(Cc2ccoc2N)s1 257564392 572795259 /nfs/dbraw/zinc/79/52/59/572795259.db2.gz ITAMDNPRWKEOLU-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN OC[C@@H](COCC1CC1)C1CCCC1 236501817 572795297 /nfs/dbraw/zinc/79/52/97/572795297.db2.gz XREZDCWNYFOHDC-LBPRGKRZSA-N 0 0 198.306 2.212 10 0 AEAERN Cc1coc(Cc2ccc(N)s2)n1 257563519 572795299 /nfs/dbraw/zinc/79/52/99/572795299.db2.gz GYLGFTJVFMDBGS-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN Cc1ncc(Cc2ccsc2N)o1 257564041 572795301 /nfs/dbraw/zinc/79/53/01/572795301.db2.gz UYBAAAGMJLLKKM-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN Cc1ncoc1Cc1ccsc1N 257564197 572795310 /nfs/dbraw/zinc/79/53/10/572795310.db2.gz ZUSWMOUVOPTNLO-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN CC(C)(C)Cc1coc(N)c1 257564554 572795312 /nfs/dbraw/zinc/79/53/12/572795312.db2.gz KSIBXMOVLQHDNI-UHFFFAOYSA-N 0 0 153.225 2.450 10 0 AEAERN Nc1cc(CCc2cccnc2)co1 257564615 572795343 /nfs/dbraw/zinc/79/53/43/572795343.db2.gz MNLZBZROJBFRDC-UHFFFAOYSA-N 0 0 188.230 2.042 10 0 AEAERN Cc1nc(C)c(Cc2ccc(N)o2)o1 257564322 572795368 /nfs/dbraw/zinc/79/53/68/572795368.db2.gz GTNUZACEKYYMEW-UHFFFAOYSA-N 0 0 192.218 2.057 10 0 AEAERN Cc1coc(Cc2ccsc2N)n1 257564004 572795374 /nfs/dbraw/zinc/79/53/74/572795374.db2.gz SJIOWFNMHNGDFM-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN Cc1nocc1Cc1ccc(N)s1 257563663 572795381 /nfs/dbraw/zinc/79/53/81/572795381.db2.gz KWZFDPJJJCAOMA-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN OCCCc1cccc(NC2CC2)c1 236504685 572795388 /nfs/dbraw/zinc/79/53/88/572795388.db2.gz DLWINHXLYWQRFO-UHFFFAOYSA-N 0 0 191.274 2.186 10 0 AEAERN Nc1ccc(Cc2cncs2)s1 257563882 572795393 /nfs/dbraw/zinc/79/53/93/572795393.db2.gz RDRBAAPEPXDOGY-UHFFFAOYSA-N 0 0 196.300 2.378 10 0 AEAERN Nc1sccc1Cc1cc[nH]c1 257563994 572795403 /nfs/dbraw/zinc/79/54/03/572795403.db2.gz SCSSDPQMYZTDMD-UHFFFAOYSA-N 0 0 178.260 2.249 10 0 AEAERN Cc1ncc(Cc2ccc(N)s2)o1 257563780 572795408 /nfs/dbraw/zinc/79/54/08/572795408.db2.gz MPVMARGAULWYRF-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN Cc1oncc1Oc1ccc(O)cc1 259614318 573561253 /nfs/dbraw/zinc/56/12/53/573561253.db2.gz DWQBGJDDPYRBES-UHFFFAOYSA-N 0 0 191.186 2.481 10 0 AEAERN Cc1nc2c(C)cc(N)cc2s1 75398066 573561284 /nfs/dbraw/zinc/56/12/84/573561284.db2.gz WSKQCGQZCKWYFX-UHFFFAOYSA-N 0 0 178.260 2.495 10 0 AEAERN COc1cccc(CC2(O)CC2)c1C 258061880 573561364 /nfs/dbraw/zinc/56/13/64/573561364.db2.gz LMKFJRFXEZEPSE-UHFFFAOYSA-N 0 0 192.258 2.071 10 0 AEAERN Cc1cc(C)cc(O[C@H]2CCOC2)c1 83577060 573561369 /nfs/dbraw/zinc/56/13/69/573561369.db2.gz XDROPIBQYOYGIA-NSHDSACASA-N 0 0 192.258 2.471 10 0 AEAERN C/C=C\CCN[C@@H](C)C(F)(F)F 307946764 572817195 /nfs/dbraw/zinc/81/71/95/572817195.db2.gz KCVGAXAJRRYDRV-AVALRIAPSA-N 0 0 181.201 2.493 10 0 AEAERN O=Cc1occc1Cc1ccncc1 75410448 573561383 /nfs/dbraw/zinc/56/13/83/573561383.db2.gz LHKGXNFDCHPECT-UHFFFAOYSA-N 0 0 187.198 2.078 10 0 AEAERN COC(=N)CCOc1ccccc1C 71506348 572839719 /nfs/dbraw/zinc/83/97/19/572839719.db2.gz QBGBBZHWPHGRMT-UHFFFAOYSA-N 0 0 193.246 2.388 10 0 AEAERN CC(=O)c1cc2ccc(N)cc2o1 75396799 572839724 /nfs/dbraw/zinc/83/97/24/572839724.db2.gz JZPPDBSDSWYQPB-UHFFFAOYSA-N 0 0 175.187 2.218 10 0 AEAERN CCCc1ccc([C@@H](O)CCO)cc1 71506784 572839747 /nfs/dbraw/zinc/83/97/47/572839747.db2.gz IBDXVGRODSDOFY-LBPRGKRZSA-N 0 0 194.274 2.055 10 0 AEAERN CC(=O)c1n[nH]c(C)c1C(C)C 75394382 572839786 /nfs/dbraw/zinc/83/97/86/572839786.db2.gz QUBDBYOUELZWDV-UHFFFAOYSA-N 0 0 166.224 2.044 10 0 AEAERN OCC[C@H]1CNc2c(Cl)cccc21 71486888 572827905 /nfs/dbraw/zinc/82/79/05/572827905.db2.gz JNIGCLCWTLEIPW-ZETCQYMHSA-N 0 0 197.665 2.232 10 0 AEAERN Cc1ncc2n1-c1ccccc1NC2 71485223 572827921 /nfs/dbraw/zinc/82/79/21/572827921.db2.gz HOUJGCYLWMADIC-UHFFFAOYSA-N 0 0 185.230 2.106 10 0 AEAERN CCCC(=O)c1ccn(CC)c1 85841066 572827930 /nfs/dbraw/zinc/82/79/30/572827930.db2.gz IPJNWEYSWHPEGW-UHFFFAOYSA-N 0 0 165.236 2.491 10 0 AEAERN CCCn1ccc(C(=O)C2CC2)c1 85844439 572827935 /nfs/dbraw/zinc/82/79/35/572827935.db2.gz KRIJKNQEJDPQRD-UHFFFAOYSA-N 0 0 177.247 2.491 10 0 AEAERN CCCCc1nc2cc(N)cnc2o1 71485556 572827944 /nfs/dbraw/zinc/82/79/44/572827944.db2.gz WTGGPRFNCFKBCH-UHFFFAOYSA-N 0 0 191.234 2.148 10 0 AEAERN CC[C@@H](COC)Nn1c(C)ccc1C 85829545 572827990 /nfs/dbraw/zinc/82/79/90/572827990.db2.gz SUHKKBBCSOWYCG-NSHDSACASA-N 0 0 196.294 2.073 10 0 AEAERN Cc1csc(N)c1[C@@H]([NH3+])C1CC1 713760840 572828007 /nfs/dbraw/zinc/82/80/07/572828007.db2.gz RCPIVCORFXESDB-QMMMGPOBSA-N 0 0 182.292 2.049 10 0 AEAERN CCCC(=O)c1ccn(COC)c1 85841081 572828775 /nfs/dbraw/zinc/82/87/75/572828775.db2.gz UVKNOYZQXCZERT-UHFFFAOYSA-N 0 0 181.235 2.075 10 0 AEAERN Cc1ccc(-c2ncc(N)o2)cc1 71496780 572834866 /nfs/dbraw/zinc/83/48/66/572834866.db2.gz XZPPBMMXOOFWJZ-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN COC(=N)CCOc1ccccc1 71497747 572835800 /nfs/dbraw/zinc/83/58/00/572835800.db2.gz WQBXCVRRHFRMDG-UHFFFAOYSA-N 0 0 179.219 2.079 10 0 AEAERN CC(C)c1ccc(CN(C)N)cc1 71497618 572835836 /nfs/dbraw/zinc/83/58/36/572835836.db2.gz OVXBKRUDLLNTLR-UHFFFAOYSA-N 0 0 178.279 2.116 10 0 AEAERN O=Cc1ccc(Cc2ncco2)s1 75387016 572835849 /nfs/dbraw/zinc/83/58/49/572835849.db2.gz VPKTYRGRPOZXSA-UHFFFAOYSA-N 0 0 193.227 2.139 10 0 AEAERN 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/nfs/dbraw/zinc/89/20/62/572892062.db2.gz RULNXGZXJNZMNT-YFHOEESVSA-N 0 0 179.263 2.057 10 0 AEAERN C/C=C\[C@H](O)[C@H](C)/C=C\OCC 307978443 572892073 /nfs/dbraw/zinc/89/20/73/572892073.db2.gz LGWQLOLUNIYDKS-WXYDXTQUSA-N 0 0 170.252 2.110 10 0 AEAERN C/C(=C\[C@@H](O)C(C)C)CCCCO 308171836 572892076 /nfs/dbraw/zinc/89/20/76/572892076.db2.gz WJPWYCYQJAMEAG-RJCSOLBVSA-N 0 0 186.295 2.112 10 0 AEAERN O=C(/C=C\C1CC1)OC/C=C\Cl 308163113 572892079 /nfs/dbraw/zinc/89/20/79/572892079.db2.gz SKESSYQWATUAGE-CGRVLUKZSA-N 0 0 186.638 2.248 10 0 AEAERN CC(C)(C)/C=C/C(=O)OCCCF 308162691 572892089 /nfs/dbraw/zinc/89/20/89/572892089.db2.gz WAAJMAGEWMSFMZ-AATRIKPKSA-N 0 0 188.242 2.492 10 0 AEAERN CC1(C)Sc2ccoc2NC1=O 75595179 572892091 /nfs/dbraw/zinc/89/20/91/572892091.db2.gz XQXASMDJVJTDRT-UHFFFAOYSA-N 0 0 183.232 2.102 10 0 AEAERN CC(=O)C[C@@H]1CCS[C@H]1C 107400132 573569582 /nfs/dbraw/zinc/56/95/82/573569582.db2.gz RAMZJMSBYKNLRJ-YUMQZZPRSA-N 0 0 158.266 2.107 10 0 AEAERN OC[C@@H](F)c1ccc(O)cc1Cl 257832033 573569595 /nfs/dbraw/zinc/56/95/95/573569595.db2.gz KGPRDVBAWYANJZ-MRVPVSSYSA-N 0 0 190.601 2.049 10 0 AEAERN CC[C@@H](CO)CN(C)c1ccccc1 258778915 573569667 /nfs/dbraw/zinc/56/96/67/573569667.db2.gz ZMDJBBQBNKEVHN-LLVKDONJSA-N 0 0 193.290 2.141 10 0 AEAERN COc1ccc(/C(C)=C\CO)cc1C 308633497 573569689 /nfs/dbraw/zinc/56/96/89/573569689.db2.gz WWPBPRQCTZQQGF-TWGQIWQCSA-N 0 0 192.258 2.399 10 0 AEAERN CC(=O)C[C@H]1CCS[C@H]1C 107400138 573569690 /nfs/dbraw/zinc/56/96/90/573569690.db2.gz RAMZJMSBYKNLRJ-JGVFFNPUSA-N 0 0 158.266 2.107 10 0 AEAERN Cc1ccccc1C1(C)COC1 258779909 573569706 /nfs/dbraw/zinc/56/97/06/573569706.db2.gz URCBVWUKSYHJGT-UHFFFAOYSA-N 0 0 162.232 2.283 10 0 AEAERN CC(C)c1nc2cc(O)ccc2n1C 75839079 572903625 /nfs/dbraw/zinc/90/36/25/572903625.db2.gz UQZDVVZAFMROCU-UHFFFAOYSA-N 0 0 190.246 2.402 10 0 AEAERN CC(C)(C)C(=O)c1ccnn1C1CC1 75854985 572903640 /nfs/dbraw/zinc/90/36/40/572903640.db2.gz NQUDPQDGNPJNFD-UHFFFAOYSA-N 0 0 192.262 2.447 10 0 AEAERN CC(C)[C@@H](O)c1ccnn1C(C)(C)C 75853865 572903667 /nfs/dbraw/zinc/90/36/67/572903667.db2.gz ITXIPPRYZIQVPL-SNVBAGLBSA-N 0 0 196.294 2.328 10 0 AEAERN C[C@H](c1ncco1)C(F)(F)F 75840254 572903678 /nfs/dbraw/zinc/90/36/78/572903678.db2.gz KUZSKNQVANRSSP-SCSAIBSYSA-N 0 0 165.114 2.340 10 0 AEAERN Cc1cc(F)c(N(C)C)c(F)c1 75838563 572903728 /nfs/dbraw/zinc/90/37/28/572903728.db2.gz IBUMBNRPYOSILC-UHFFFAOYSA-N 0 0 171.190 2.339 10 0 AEAERN CC(C)C(=O)c1nccn1C(C)C 75854649 572903788 /nfs/dbraw/zinc/90/37/88/572903788.db2.gz DMQMAFQBHKXBQE-UHFFFAOYSA-N 0 0 180.251 2.303 10 0 AEAERN CCCCc1c(N)c(C)nn1CC 308179650 572903802 /nfs/dbraw/zinc/90/38/02/572903802.db2.gz BVWQPUREZIKFCO-UHFFFAOYSA-N 0 0 181.283 2.136 10 0 AEAERN CS/C=C/c1nc(CC2CC2)no1 308178602 572903826 /nfs/dbraw/zinc/90/38/26/572903826.db2.gz DYSYVTGHRJIMNQ-SNAWJCMRSA-N 0 0 196.275 2.356 10 0 AEAERN Cc1cc(-n2ccnc2)ccc1F 75838585 572903847 /nfs/dbraw/zinc/90/38/47/572903847.db2.gz MOMHURINIIEGKG-UHFFFAOYSA-N 0 0 176.194 2.320 10 0 AEAERN C=Cn1ccnc1C(=O)C(C)(C)C 75854905 572903858 /nfs/dbraw/zinc/90/38/58/572903858.db2.gz JJQAAKOOYFEDQB-UHFFFAOYSA-N 0 0 178.235 2.212 10 0 AEAERN OCC(F)(F)c1cccc(F)c1F 257832100 573569765 /nfs/dbraw/zinc/56/97/65/573569765.db2.gz KKUXHTQTGRXEAZ-UHFFFAOYSA-N 0 0 194.127 2.049 10 0 AEAERN C/C(=C/CO)[C@H](O)CCC(C)(C)C 308178810 572903894 /nfs/dbraw/zinc/90/38/94/572903894.db2.gz BNTPLPOBIFUNGA-ABRRARGCSA-N 0 0 186.295 2.112 10 0 AEAERN C[C@@H]1CCO[C@@H]1c1ccccc1O 238433295 573569775 /nfs/dbraw/zinc/56/97/75/573569775.db2.gz IKKOUWPVFKYIDU-KCJUWKMLSA-N 0 0 178.231 2.490 10 0 AEAERN OCc1nc(C2CCCCC2)co1 257832320 573569779 /nfs/dbraw/zinc/56/97/79/573569779.db2.gz JYYRSVOOCXFYAU-UHFFFAOYSA-N 0 0 181.235 2.215 10 0 AEAERN Cc1[nH]nc2c(F)c(F)c(F)cc12 75883958 572913516 /nfs/dbraw/zinc/91/35/16/572913516.db2.gz HBQMHTIZQJSYTF-UHFFFAOYSA-N 0 0 186.136 2.289 10 0 AEAERN COc1ccc2c(c1OC)C[C@H](C)N2 713775014 572913528 /nfs/dbraw/zinc/91/35/28/572913528.db2.gz OGFSCOBUTOXBSV-ZETCQYMHSA-N 0 0 193.246 2.060 10 0 AEAERN c1n[nH]cc1OCCC1CCCC1 308187863 572913543 /nfs/dbraw/zinc/91/35/43/572913543.db2.gz LDKHEBJIXNSBAQ-UHFFFAOYSA-N 0 0 180.251 2.369 10 0 AEAERN c1ccc2nc3c(nc2c1)CCCCN3 238006293 572913570 /nfs/dbraw/zinc/91/35/70/572913570.db2.gz SJAUGLXTOKHRDX-UHFFFAOYSA-N 0 0 199.257 2.378 10 0 AEAERN O[C@H](CCCC1CC1)C1CC1 86363126 572925571 /nfs/dbraw/zinc/92/55/71/572925571.db2.gz WCLGWDVQZANCGV-SNVBAGLBSA-N 0 0 154.253 2.338 10 0 AEAERN CC[C@H](O)[C@@H](C)CCc1ccccn1 86363644 572925574 /nfs/dbraw/zinc/92/55/74/572925574.db2.gz QTZVZYAHHFNXDM-JQWIXIFHSA-N 0 0 193.290 2.421 10 0 AEAERN Nc1ccc([C@@H](O)C2CCCC2)cc1 236365024 573572939 /nfs/dbraw/zinc/57/29/39/573572939.db2.gz FDXFVDPDOQBHTA-LBPRGKRZSA-N 0 0 191.274 2.492 10 0 AEAERN CC[C@H](C)Nc1ccc(OC)cc1N 86687504 573572950 /nfs/dbraw/zinc/57/29/50/573572950.db2.gz ACDZEOMIFCSCMO-QMMMGPOBSA-N 0 0 194.278 2.488 10 0 AEAERN CCC(=O)NCc1cc(C)c(C)s1 83633939 573573001 /nfs/dbraw/zinc/57/30/01/573573001.db2.gz ZCHBMGLPZMZUFT-UHFFFAOYSA-N 0 0 197.303 2.391 10 0 AEAERN Cc1cc(CNOC(C)C)c(C)n1C 393537295 573573009 /nfs/dbraw/zinc/57/30/09/573573009.db2.gz YFWNFEJZWAVKOT-UHFFFAOYSA-N 0 0 196.294 2.072 10 0 AEAERN COc1cc(N)ccc1NC(C)C 86687438 573573028 /nfs/dbraw/zinc/57/30/28/573573028.db2.gz KHZXSPAOUJVCHC-UHFFFAOYSA-N 0 0 180.251 2.098 10 0 AEAERN CNc1cc2c3c(c1)CCN3CCC2 259515785 573573030 /nfs/dbraw/zinc/57/30/30/573573030.db2.gz PFBYSWKRIIMHBU-UHFFFAOYSA-N 0 0 188.274 2.037 10 0 AEAERN CCc1sc(N)nc1C(F)(F)F 257829716 573573059 /nfs/dbraw/zinc/57/30/59/573573059.db2.gz IULZDDDBWRQFOO-UHFFFAOYSA-N 0 0 196.197 2.307 10 0 AEAERN Nc1cccc(N2CC3(CCC3)C2)c1 86687495 573573085 /nfs/dbraw/zinc/57/30/85/573573085.db2.gz UDYWILIGPFFOAQ-UHFFFAOYSA-N 0 0 188.274 2.259 10 0 AEAERN C[C@H](O)/C=C/[C@@H](C)[C@@H]1CCCCC1=O 238433187 573573086 /nfs/dbraw/zinc/57/30/86/573573086.db2.gz BKACGLHMROEUPZ-CHLJGWKXSA-N 0 0 196.290 2.319 10 0 AEAERN C[C@@H]1CCCC(=O)[C@@]1(C)Cl 238444075 573573158 /nfs/dbraw/zinc/57/31/58/573573158.db2.gz CMFGWRJSKCCZIF-SVRRBLITSA-N 0 0 160.644 2.373 10 0 AEAERN c1ccc(-c2ccc3c(c2)C[NH2+]C3)nc1 238042712 572917133 /nfs/dbraw/zinc/91/71/33/572917133.db2.gz WVOGEIRGMLSKHG-UHFFFAOYSA-N 0 0 196.253 2.352 10 0 AEAERN C(=C\C1CC1)\C[NH2+]Cc1ccco1 393537386 573573202 /nfs/dbraw/zinc/57/32/02/573573202.db2.gz BBTADIYXXDXKLW-IWQZZHSRSA-N 0 0 177.247 2.335 10 0 AEAERN Cc1cccc2ooc12 72232664 572917184 /nfs/dbraw/zinc/91/71/84/572917184.db2.gz MBTLUBKZQVCHGK-UHFFFAOYSA-N 0 0 122.123 2.334 10 0 AEAERN CCCC[C@H](CO)[C@@H](CO)C(C)C 116672413 572917227 /nfs/dbraw/zinc/91/72/27/572917227.db2.gz DUFOXNKUQQFRNV-MNOVXSKESA-N 0 0 188.311 2.050 10 0 AEAERN C/C=C/C/C=C/C/C=C/CO 237997061 572917262 /nfs/dbraw/zinc/91/72/62/572917262.db2.gz HLCYECPTDOVRCY-QMDLBSTFSA-N 0 0 152.237 2.447 10 0 AEAERN CC(C)C1CN(c2cccc(N)c2)C1 86687481 573573216 /nfs/dbraw/zinc/57/32/16/573573216.db2.gz CPBFAVOTNSAEKU-UHFFFAOYSA-N 0 0 190.290 2.361 10 0 AEAERN CC[C@H](O)[C@H](C)Cc1cccc(C)n1 86363520 572925489 /nfs/dbraw/zinc/92/54/89/572925489.db2.gz DJQGICNVJFNLEB-SKDRFNHKSA-N 0 0 193.290 2.340 10 0 AEAERN CC[C@H](O)[C@@H](C)Cc1ccncc1 86363660 572925493 /nfs/dbraw/zinc/92/54/93/572925493.db2.gz LVFCXXLTXVFKTA-ONGXEEELSA-N 0 0 179.263 2.031 10 0 AEAERN CC(C)[C@@H](O)CCc1cscn1 86359604 572925501 /nfs/dbraw/zinc/92/55/01/572925501.db2.gz MANGIGQBYQVXOR-VIFPVBQESA-N 0 0 185.292 2.093 10 0 AEAERN O[C@@H](CCC1(O)CCCCC1)C1CC1 86363068 572925513 /nfs/dbraw/zinc/92/55/13/572925513.db2.gz IAQSYLFAHULEAB-NSHDSACASA-N 0 0 198.306 2.233 10 0 AEAERN CO[C@@H]1CCC[C@@H](C[C@H](O)C2CC2)C1 86363136 572925527 /nfs/dbraw/zinc/92/55/27/572925527.db2.gz ZGNWWYQJVCCTBD-JLLWLGSASA-N 0 0 198.306 2.353 10 0 AEAERN C/C(=C\[C@@H](C)CCCCCO)CO 308191250 572925533 /nfs/dbraw/zinc/92/55/33/572925533.db2.gz JTLVAIKWOZPDHC-NGPGYTDTSA-N 0 0 186.295 2.114 10 0 AEAERN CC[C@H](O)[C@H](C)CCc1cccnc1 86363544 572925543 /nfs/dbraw/zinc/92/55/43/572925543.db2.gz OLQGUSWRGSVNRA-PWSUYJOCSA-N 0 0 193.290 2.421 10 0 AEAERN CC(C)[C@@H](Cc1ccncc1)[C@H](C)O 86362940 572925558 /nfs/dbraw/zinc/92/55/58/572925558.db2.gz XIPCGMUDVVPIJK-CMPLNLGQSA-N 0 0 193.290 2.277 10 0 AEAERN CCc1cc2c(cc1O)C[C@@H](C)N2 713782376 572937788 /nfs/dbraw/zinc/93/77/88/572937788.db2.gz TTWQCNFWXLOZNQ-SSDOTTSWSA-N 0 0 177.247 2.311 10 0 AEAERN Cc1cc(C)c(CO)c(Cl)c1 57935693 572937883 /nfs/dbraw/zinc/93/78/83/572937883.db2.gz QJHQJYMIFJLOQW-UHFFFAOYSA-N 0 0 170.639 2.449 10 0 AEAERN Cc1ccc([C@@H]2CCC(=O)N2)cc1C 57936638 572937943 /nfs/dbraw/zinc/93/79/43/572937943.db2.gz ZBGGJUAVHFGBPY-NSHDSACASA-N 0 0 189.258 2.255 10 0 AEAERN CC(C)CC[C@@H](C)[C@H](C)C(N)=O 238113513 572937946 /nfs/dbraw/zinc/93/79/46/572937946.db2.gz MGHVSBLLPSAGRC-BDAKNGLRSA-N 0 0 171.284 2.180 10 0 AEAERN CCC(C)(C)C(=O)C[N@H+](C)C1CC1 308195443 572937968 /nfs/dbraw/zinc/93/79/68/572937968.db2.gz MGNOFYWDMTYPPI-UHFFFAOYSA-N 0 0 183.295 2.086 10 0 AEAERN CCC(=CC(=O)N[C@H]1C[C@@H]1C)CC 308194776 572925953 /nfs/dbraw/zinc/92/59/53/572925953.db2.gz QDZFWJZPBYCPHV-WPRPVWTQSA-N 0 0 181.279 2.257 10 0 AEAERN COC[C@@H](C)CC(=O)C(C)(C)C 86352753 572926001 /nfs/dbraw/zinc/92/60/01/572926001.db2.gz RRMUDHHKAIEGPO-QMMMGPOBSA-N 0 0 172.268 2.274 10 0 AEAERN CCC[C@H](C1CC1)n1nccc1N 308195030 572926016 /nfs/dbraw/zinc/92/60/16/572926016.db2.gz QJVKELYDCKBSBH-SECBINFHSA-N 0 0 179.267 2.217 10 0 AEAERN CC[C@H](O)CCC(=O)C(C)(C)C 86352870 572926032 /nfs/dbraw/zinc/92/60/32/572926032.db2.gz KKFYXULKCTYLOC-QMMMGPOBSA-N 0 0 172.268 2.153 10 0 AEAERN CCCC(=O)C[C@H](C)COC 86352582 572926036 /nfs/dbraw/zinc/92/60/36/572926036.db2.gz HDMMLZJQIUYSEK-QMMMGPOBSA-N 0 0 158.241 2.028 10 0 AEAERN CCCCC(CO)(CO)CC(C)C 86370715 572926052 /nfs/dbraw/zinc/92/60/52/572926052.db2.gz GFFBUQZISFCXLG-UHFFFAOYSA-N 0 0 188.311 2.194 10 0 AEAERN OCc1cnc(Cl)c2ccccc12 141242990 572926091 /nfs/dbraw/zinc/92/60/91/572926091.db2.gz XGKORNPHKLTUPL-UHFFFAOYSA-N 0 0 193.633 2.381 10 0 AEAERN CCC(C)(C)C(=O)OC1CC1 141238709 572926094 /nfs/dbraw/zinc/92/60/94/572926094.db2.gz 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/nfs/dbraw/zinc/35/65/14/573356514.db2.gz KPPOJBCUGUFJRW-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN O=C(CC1CC1)c1ccoc1 82999744 573356519 /nfs/dbraw/zinc/35/65/19/573356519.db2.gz WHKPALGTUPRLHE-UHFFFAOYSA-N 0 0 150.177 2.262 10 0 AEAERN CC(C)(C)[C@@H](O)CC1CC1 82999810 573356521 /nfs/dbraw/zinc/35/65/21/573356521.db2.gz MCIOLTWULIXXCC-QMMMGPOBSA-N 0 0 142.242 2.194 10 0 AEAERN CC(C)CC(=O)CC1CC1 82999653 573356536 /nfs/dbraw/zinc/35/65/36/573356536.db2.gz LWQFWQVTDYHMAD-UHFFFAOYSA-N 0 0 140.226 2.402 10 0 AEAERN CC(C)c1cc2c([nH]1)CCC2=O 107120223 573356538 /nfs/dbraw/zinc/35/65/38/573356538.db2.gz LLNKBOOKHRGWLT-UHFFFAOYSA-N 0 0 163.220 2.267 10 0 AEAERN O[C@H](CC1CC1)CC(F)(F)F 82999822 573356541 /nfs/dbraw/zinc/35/65/41/573356541.db2.gz VVLQDDHJPIUYHZ-ZCFIWIBFSA-N 0 0 168.158 2.100 10 0 AEAERN CC(C)(C)c1sncc1N 107118382 573356559 /nfs/dbraw/zinc/35/65/59/573356559.db2.gz NQLRZFHVZNXSEV-UHFFFAOYSA-N 0 0 156.254 2.023 10 0 AEAERN C[C@@H]1C(=O)CC[C@H]1c1ccoc1 83002957 573356578 /nfs/dbraw/zinc/35/65/78/573356578.db2.gz SXTMFHCJUJQBFH-IONNQARKSA-N 0 0 164.204 2.362 10 0 AEAERN C[C@H]1C(=O)CC[C@H]1c1cccnc1 83001527 573356600 /nfs/dbraw/zinc/35/66/00/573356600.db2.gz JDFVQPQNKSYBHI-PSASIEDQSA-N 0 0 175.231 2.164 10 0 AEAERN Cc1cccc([C@@H](O)CC2CC2)n1 82999904 573356606 /nfs/dbraw/zinc/35/66/06/573356606.db2.gz XWFHGOORVKLGEP-NSHDSACASA-N 0 0 177.247 2.224 10 0 AEAERN O[C@H]1CCCNc2cccc(F)c21 257795663 573361306 /nfs/dbraw/zinc/36/13/06/573361306.db2.gz CZUXJOPMRMRDGI-VIFPVBQESA-N 0 0 181.210 2.065 10 0 AEAERN COc1c(C)cnc(F)c1C(F)F 238368475 573361322 /nfs/dbraw/zinc/36/13/22/573361322.db2.gz VFYPJNATDZNZSS-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN CC(C)(C)c1sncc1C=O 107122282 573361339 /nfs/dbraw/zinc/36/13/39/573361339.db2.gz RLLNGFAKOMSVMQ-UHFFFAOYSA-N 0 0 169.249 2.253 10 0 AEAERN CCCc1c(N)n[nH]c1C1CCC1 86314544 573361385 /nfs/dbraw/zinc/36/13/85/573361385.db2.gz ILQYJHWSUCLVJQ-UHFFFAOYSA-N 0 0 179.267 2.212 10 0 AEAERN CCCCC[N@H+](C)C/C=C(\C)C(=O)[O-] 214756663 573361386 /nfs/dbraw/zinc/36/13/86/573361386.db2.gz JOEXGBOVRPJWTA-JXMROGBWSA-N 0 0 199.294 2.139 10 0 AEAERN CCCC(CCC)c1nnc(CN)o1 133009596 573361412 /nfs/dbraw/zinc/36/14/12/573361412.db2.gz LVHJUNLQIVOEJI-UHFFFAOYSA-N 0 0 197.282 2.212 10 0 AEAERN COc1cc(N)cc2c1CCCC2 238368672 573361415 /nfs/dbraw/zinc/36/14/15/573361415.db2.gz SXLMWIPEYIKGFT-UHFFFAOYSA-N 0 0 177.247 2.156 10 0 AEAERN CON(CCC(C)C)CC(F)(F)F 308367198 573361463 /nfs/dbraw/zinc/36/14/63/573361463.db2.gz OQEYNIPYVYWHSA-UHFFFAOYSA-N 0 0 199.216 2.458 10 0 AEAERN CC[C@H]([NH3+])[C@]1(CC(=O)[O-])CCC1(C)C 308562725 573361470 /nfs/dbraw/zinc/36/14/70/573361470.db2.gz YKMRYDJGTSSFJP-GZMMTYOYSA-N 0 0 199.294 2.005 10 0 AEAERN C[C@@H](CCO)[C@@H]1CC(=O)CC(C)(C)C1 238369452 573360838 /nfs/dbraw/zinc/36/08/38/573360838.db2.gz HSZMVMKJEAXXPM-VHSXEESVSA-N 0 0 198.306 2.400 10 0 AEAERN OCc1cccc([C@H]2C[C@@H]2F)c1 259609344 573360869 /nfs/dbraw/zinc/36/08/69/573360869.db2.gz DNRXPOJONNMSNF-ZJUUUORDSA-N 0 0 166.195 2.004 10 0 AEAERN C[C@@H](O)c1coc([C@H]2CCCS2)n1 258299772 573360923 /nfs/dbraw/zinc/36/09/23/573360923.db2.gz ZQARWGFMQPXXFD-HTRCEHHLSA-N 0 0 199.275 2.296 10 0 AEAERN COc1ccc2c(c1)CC(=O)C2(C)C 238368977 573360939 /nfs/dbraw/zinc/36/09/39/573360939.db2.gz LYXJRTMOAHVTGF-UHFFFAOYSA-N 0 0 190.242 2.098 10 0 AEAERN CCCCCC[C@@H](C)NOC 132978666 573360946 /nfs/dbraw/zinc/36/09/46/573360946.db2.gz VUOXCFRIHZECCL-SECBINFHSA-N 0 0 159.273 2.496 10 0 AEAERN CC[C@@H]([NH3+])[C@@]1(CC(=O)[O-])CCC1(C)C 308562726 573360993 /nfs/dbraw/zinc/36/09/93/573360993.db2.gz YKMRYDJGTSSFJP-KCJUWKMLSA-N 0 0 199.294 2.005 10 0 AEAERN C[C@H](CCCC(=O)[O-])[NH2+]C1CCCC1 129723462 573361063 /nfs/dbraw/zinc/36/10/63/573361063.db2.gz ZMQAWZVKSDHVIS-SECBINFHSA-N 0 0 199.294 2.162 10 0 AEAERN Nc1ccccc1[C@@H](O)CC1CC1 83018337 573361120 /nfs/dbraw/zinc/36/11/20/573361120.db2.gz XCEJRMZHTRHPPX-NSHDSACASA-N 0 0 177.247 2.102 10 0 AEAERN CSCNc1cccnc1Cl 238368656 573361131 /nfs/dbraw/zinc/36/11/31/573361131.db2.gz XUODXUKWFQXAAT-UHFFFAOYSA-N 0 0 188.683 2.467 10 0 AEAERN C=C(C(=O)OC)c1ccc(C)s1 258299688 573361150 /nfs/dbraw/zinc/36/11/50/573361150.db2.gz URILFJQAYRQHLO-UHFFFAOYSA-N 0 0 182.244 2.243 10 0 AEAERN COc1c(C)cncc1C(F)F 238368786 573361184 /nfs/dbraw/zinc/36/11/84/573361184.db2.gz OTKKXMRJOIYTMF-UHFFFAOYSA-N 0 0 173.162 2.336 10 0 AEAERN CON[C@H](c1cccs1)C1CC1 132973219 573363705 /nfs/dbraw/zinc/36/37/05/573363705.db2.gz XTWIESGUFOFQRZ-VIFPVBQESA-N 0 0 183.276 2.350 10 0 AEAERN Cc1cc(C)c([C@H](C)O)s1 642815779 573363720 /nfs/dbraw/zinc/36/37/20/573363720.db2.gz MXTYUFJQIDXROP-ZETCQYMHSA-N 0 0 155.242 2.095 10 0 AEAERN COc1nc(C(F)F)c(F)cc1C 238360832 573363737 /nfs/dbraw/zinc/36/37/37/573363737.db2.gz QCZZZYBIGVTKPF-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN CC(C)[C@H](CC(=O)[O-])[NH2+]C1CCCC1 129713530 573363119 /nfs/dbraw/zinc/36/31/19/573363119.db2.gz WXKOBCXVXKYNOE-JTQLQIEISA-N 0 0 199.294 2.018 10 0 AEAERN c1cc(C2CC2)c2cc[nH]c2n1 117698123 573363136 /nfs/dbraw/zinc/36/31/36/573363136.db2.gz ZVVPBIPURXFPLM-UHFFFAOYSA-N 0 0 158.204 2.440 10 0 AEAERN CC1(C)CC[C@@H]2NC(=O)CC[C@H]2C1 107128550 573363157 /nfs/dbraw/zinc/36/31/57/573363157.db2.gz LOAMCYCUHAFASO-IUCAKERBSA-N 0 0 181.279 2.091 10 0 AEAERN COc1nc(C(C)C)ccc1C=O 107126806 573363187 /nfs/dbraw/zinc/36/31/87/573363187.db2.gz AARZBNHTGMZRLK-UHFFFAOYSA-N 0 0 179.219 2.026 10 0 AEAERN COc1cccc2[nH]c([C@H](C)O)cc12 258317940 573363216 /nfs/dbraw/zinc/36/32/16/573363216.db2.gz WGFYEXHPDCNLAF-ZETCQYMHSA-N 0 0 191.230 2.230 10 0 AEAERN O=Cc1cccc(OC2CCC2)c1 107125361 573363223 /nfs/dbraw/zinc/36/32/23/573363223.db2.gz HRACUCMBNAHOJO-UHFFFAOYSA-N 0 0 176.215 2.430 10 0 AEAERN CCCc1c(N)n[nH]c1[C@@H](C)CC 86314517 573363301 /nfs/dbraw/zinc/36/33/01/573363301.db2.gz IZAVGVCPWGSRFD-ZETCQYMHSA-N 0 0 181.283 2.458 10 0 AEAERN CCC[C@H](C)OC(=O)[C@H](C)COC 308367678 573363320 /nfs/dbraw/zinc/36/33/20/573363320.db2.gz OTSRFYVWVCFUMW-BDAKNGLRSA-N 0 0 188.267 2.001 10 0 AEAERN C[C@@H]1[C@@H](O)CC[C@H]1c1ccco1 83036822 573363328 /nfs/dbraw/zinc/36/33/28/573363328.db2.gz HUGUHEBXGZHTRM-YIZRAAEISA-N 0 0 166.220 2.154 10 0 AEAERN CC(C)Nc1cccc(F)c1CO 117761667 573363349 /nfs/dbraw/zinc/36/33/49/573363349.db2.gz SSGPOJPIWLQZLZ-UHFFFAOYSA-N 0 0 183.226 2.138 10 0 AEAERN COc1cccc(Oc2cn[nH]c2)c1 258317683 573363360 /nfs/dbraw/zinc/36/33/60/573363360.db2.gz DCPIXCFHETUVQR-UHFFFAOYSA-N 0 0 190.202 2.211 10 0 AEAERN CCCc1c(N)n[nH]c1[C@@H]1C[C@H]1C 86314532 573363392 /nfs/dbraw/zinc/36/33/92/573363392.db2.gz AVQCWIPYVGJSGZ-HTRCEHHLSA-N 0 0 179.267 2.068 10 0 AEAERN CCC(C)(C)[C@@H](NN)c1ccoc1 133007387 573363405 /nfs/dbraw/zinc/36/34/05/573363405.db2.gz WGYTVAADTBXGGR-VIFPVBQESA-N 0 0 182.267 2.220 10 0 AEAERN OCc1cc(-c2ccccc2)c[nH]1 117716473 573363448 /nfs/dbraw/zinc/36/34/48/573363448.db2.gz CEKLNJKOTXPWIQ-UHFFFAOYSA-N 0 0 173.215 2.174 10 0 AEAERN CC(C)(C)c1cc(N)c(Cl)nn1 258011202 573363550 /nfs/dbraw/zinc/36/35/50/573363550.db2.gz QXPFFJMNJOYQGX-UHFFFAOYSA-N 0 0 185.658 2.010 10 0 AEAERN C=CN(C=O)CCCCCC 39080768 573363551 /nfs/dbraw/zinc/36/35/51/573363551.db2.gz GSJULHLVXQYJGB-UHFFFAOYSA-N 0 0 155.241 2.169 10 0 AEAERN Cc1ccc2c(CON)coc2c1 258314979 573363563 /nfs/dbraw/zinc/36/35/63/573363563.db2.gz WCFJNCNQPWLUHM-UHFFFAOYSA-N 0 0 177.203 2.132 10 0 AEAERN CCCCc1nc(C=O)cs1 86314823 573363621 /nfs/dbraw/zinc/36/36/21/573363621.db2.gz DAXLWYCVQSSRDX-UHFFFAOYSA-N 0 0 169.249 2.298 10 0 AEAERN CC(C)[C@H](C)[C@H](NN)c1ccoc1 132986238 573363649 /nfs/dbraw/zinc/36/36/49/573363649.db2.gz LTNBVZIOUNYVSW-WPRPVWTQSA-N 0 0 182.267 2.076 10 0 AEAERN C[C@@H]1[C@@H](O)CC[C@@H]1c1cncc(F)c1 83036647 573363658 /nfs/dbraw/zinc/36/36/58/573363658.db2.gz DMLDQAMQHMXOQQ-SWPVVBRQSA-N 0 0 195.237 2.095 10 0 AEAERN N[C@H]1c2ccccc2[C@@H](F)C1(F)F 117746982 573363663 /nfs/dbraw/zinc/36/36/63/573363663.db2.gz YICKLGWICBKRKL-SFYZADRCSA-N 0 0 187.164 2.346 10 0 AEAERN CCn1cc(C=O)c2ccc(O)cc21 258008396 573368890 /nfs/dbraw/zinc/36/88/90/573368890.db2.gz XMSQVLKBMPMRKK-UHFFFAOYSA-N 0 0 189.214 2.179 10 0 AEAERN CCN1C[C@@H](C)Nc2ccc(O)cc21 259428363 573368918 /nfs/dbraw/zinc/36/89/18/573368918.db2.gz YYOQRHWULJAMIP-MRVPVSSYSA-N 0 0 192.262 2.033 10 0 AEAERN CCCc1c(N)noc1[C@H]1C[C@@H]1C 86326146 573368249 /nfs/dbraw/zinc/36/82/49/573368249.db2.gz JEFPTMROWMNXGJ-XPUUQOCRSA-N 0 0 180.251 2.333 10 0 AEAERN Cc1ccccc1-c1ncoc1C=O 107132564 573368269 /nfs/dbraw/zinc/36/82/69/573368269.db2.gz BOQFWQTXUQAEDC-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN Cc1cnc(-c2cccc(CO)c2)o1 117817629 573368292 /nfs/dbraw/zinc/36/82/92/573368292.db2.gz UCOGFBNKHVXYDQ-UHFFFAOYSA-N 0 0 189.214 2.142 10 0 AEAERN CC1(C[C@H](NN)c2ccoc2)CCC1 308563660 573368296 /nfs/dbraw/zinc/36/82/96/573368296.db2.gz GSRJEZWYLVYSCM-JTQLQIEISA-N 0 0 194.278 2.364 10 0 AEAERN CC(=O)[C@@H]1CC12CCCC2 211698683 573368308 /nfs/dbraw/zinc/36/83/08/573368308.db2.gz WHHUGKJWKLAYQJ-QMMMGPOBSA-N 0 0 138.210 2.156 10 0 AEAERN Cc1nnc(-c2ccccc2O)s1 107135709 573368311 /nfs/dbraw/zinc/36/83/11/573368311.db2.gz IUELGAXZRFAUNB-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN OC/C=C/c1cc(Cl)cs1 86335053 573368337 /nfs/dbraw/zinc/36/83/37/573368337.db2.gz SOAWAGDBZSPCQB-OWOJBTEDSA-N 0 0 174.652 2.407 10 0 AEAERN CCCc1c(N)noc1C1CCC1 86326169 573368387 /nfs/dbraw/zinc/36/83/87/573368387.db2.gz BYGYWOIUSJTXTC-UHFFFAOYSA-N 0 0 180.251 2.477 10 0 AEAERN Cc1ccccc1-c1oncc1C=O 107132568 573368394 /nfs/dbraw/zinc/36/83/94/573368394.db2.gz UITVYYNXLBTMGT-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN COc1c(C)ncc(C(F)F)c1F 238370622 573368415 /nfs/dbraw/zinc/36/84/15/573368415.db2.gz CAPDNALIMZLOMM-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN CC(C)CON[C@H]1CC[C@H](C)C1 133111385 573368452 /nfs/dbraw/zinc/36/84/52/573368452.db2.gz VGUHWXXFNLPAIE-UWVGGRQHSA-N 0 0 171.284 2.352 10 0 AEAERN C[C@@H](O)/C=C/C[Si](C)(C)C 238380338 573368456 /nfs/dbraw/zinc/36/84/56/573368456.db2.gz PQTSOAQXKUTKQN-HQZHTGGTSA-N 0 0 158.317 2.262 10 0 AEAERN CC/C=C/C(=O)N(C)[C@@H](C)C(C)C 308365507 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CCCOCC(=O)O[C@H](C)C(C)C 308379681 573392639 /nfs/dbraw/zinc/39/26/39/573392639.db2.gz UJMHXCQPJKUFCR-SECBINFHSA-N 0 0 188.267 2.001 10 0 AEAERN C[C@H]1Cc2ccc(O)cc2O[C@@H]1C 197335705 573392655 /nfs/dbraw/zinc/39/26/55/573392655.db2.gz ODLDQCMILXSKPD-JGVFFNPUSA-N 0 0 178.231 2.352 10 0 AEAERN c1cc2c3c([nH]c2cn1)CCCC3 118342207 573392659 /nfs/dbraw/zinc/39/26/59/573392659.db2.gz XLUKCVDNZMRJNM-UHFFFAOYSA-N 0 0 172.231 2.442 10 0 AEAERN CC1=C(C)[C@H]([C@@H](C)CO)CC1 238378575 573392756 /nfs/dbraw/zinc/39/27/56/573392756.db2.gz QZSUHKXWUYLOLW-WPRPVWTQSA-N 0 0 154.253 2.361 10 0 AEAERN CC[C@H](C)[C@@H](O)c1ccccn1 86387964 573392812 /nfs/dbraw/zinc/39/28/12/573392812.db2.gz LEZZVRZQQGIRIG-WCBMZHEXSA-N 0 0 165.236 2.161 10 0 AEAERN CSc1ccc2c(c1)NCCN2C 238379412 573392818 /nfs/dbraw/zinc/39/28/18/573392818.db2.gz GLWSQQQDQCJODH-UHFFFAOYSA-N 0 0 194.303 2.270 10 0 AEAERN CC[C@@H](CO)[C@H](OC)c1ccccc1 308570742 573392836 /nfs/dbraw/zinc/39/28/36/573392836.db2.gz DXRRFXMZTVFIEQ-JQWIXIFHSA-N 0 0 194.274 2.393 10 0 AEAERN O=Cc1ccccc1[C@H]1CCOC1 107164990 573392871 /nfs/dbraw/zinc/39/28/71/573392871.db2.gz QEHMGLYLBKKZBC-JTQLQIEISA-N 0 0 176.215 2.003 10 0 AEAERN COc1cc(C)cc2oncc12 238378073 573392912 /nfs/dbraw/zinc/39/29/12/573392912.db2.gz XOGUREYDHFRIGT-UHFFFAOYSA-N 0 0 163.176 2.145 10 0 AEAERN COc1ccccc1-c1nncs1 238378082 573392185 /nfs/dbraw/zinc/39/21/85/573392185.db2.gz HIJZURIHFXQDGL-UHFFFAOYSA-N 0 0 192.243 2.214 10 0 AEAERN COc1c(C)cc(C=O)cc1Cl 107172468 573397833 /nfs/dbraw/zinc/39/78/33/573397833.db2.gz TULOHXBNYFRUPA-UHFFFAOYSA-N 0 0 184.622 2.470 10 0 AEAERN COc1ccncc1C(F)F 238386999 573397888 /nfs/dbraw/zinc/39/78/88/573397888.db2.gz YNAOLDIPNNPDSC-UHFFFAOYSA-N 0 0 159.135 2.028 10 0 AEAERN CCC(CC)NOC(C)(C)C 133407340 573397902 /nfs/dbraw/zinc/39/79/02/573397902.db2.gz GBPPPLYGVHHZNG-UHFFFAOYSA-N 0 0 159.273 2.495 10 0 AEAERN CSc1cnc2cc[nH]c2c1 238387013 573397274 /nfs/dbraw/zinc/39/72/74/573397274.db2.gz PLMQYJDZIGUAEM-UHFFFAOYSA-N 0 0 164.233 2.285 10 0 AEAERN CC[C@@H](C)[C@]1(O)CCOC(C)(C)C1 86388205 573397307 /nfs/dbraw/zinc/39/73/07/573397307.db2.gz LCKAZKUVKXLJNR-KOLCDFICSA-N 0 0 186.295 2.353 10 0 AEAERN COc1nc(F)cc(C(F)F)c1C 238386757 573397366 /nfs/dbraw/zinc/39/73/66/573397366.db2.gz ZHYUZNXSKYPDBV-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN COc1nc(F)c(C(F)F)cc1C 238385654 573397381 /nfs/dbraw/zinc/39/73/81/573397381.db2.gz UZRXWVRMKGNYIF-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN COc1ncc2cc(Cl)ccc2n1 238385828 573397406 /nfs/dbraw/zinc/39/74/06/573397406.db2.gz TWKWCPBCXVMZAU-UHFFFAOYSA-N 0 0 194.621 2.292 10 0 AEAERN CO[C@H]([C@H](O)C1CCC1)C(C)(C)C 133430161 573397411 /nfs/dbraw/zinc/39/74/11/573397411.db2.gz NHXIDEWDWVXHLL-NXEZZACHSA-N 0 0 186.295 2.209 10 0 AEAERN Oc1cc(F)ccc1C1(O)CCCC1 259437685 573397500 /nfs/dbraw/zinc/39/75/00/573397500.db2.gz KXBXGBTUVKJKIX-UHFFFAOYSA-N 0 0 196.221 2.293 10 0 AEAERN Cn1nc(Cl)c2cc(F)ccc21 107172442 573397521 /nfs/dbraw/zinc/39/75/21/573397521.db2.gz IZYBQZWDGDWZCK-UHFFFAOYSA-N 0 0 184.601 2.366 10 0 AEAERN CO[C@@H]1C[C@@H]1[C@H](O)c1ccccc1C 689951335 573397526 /nfs/dbraw/zinc/39/75/26/573397526.db2.gz BSYSGMPAVHGJCE-QJPTWQEYSA-N 0 0 192.258 2.063 10 0 AEAERN COc1nc(F)cc(C)c1C(F)F 238387052 573397679 /nfs/dbraw/zinc/39/76/79/573397679.db2.gz OQRYLQPBRDAXPX-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN CSc1cccc2c1C(=O)COC2 238385994 573397718 /nfs/dbraw/zinc/39/77/18/573397718.db2.gz IZQBFJRXZGJDDR-UHFFFAOYSA-N 0 0 194.255 2.121 10 0 AEAERN Cn1nc(Cl)c2cccc(F)c21 107172440 573397755 /nfs/dbraw/zinc/39/77/55/573397755.db2.gz JZURTDXJXYQAQV-UHFFFAOYSA-N 0 0 184.601 2.366 10 0 AEAERN CCC(F)(F)c1ccc(NN)cc1 259439140 573397769 /nfs/dbraw/zinc/39/77/69/573397769.db2.gz JSGZDVZJHGXFTG-UHFFFAOYSA-N 0 0 186.205 2.474 10 0 AEAERN CC[C@H](O)c1ccn(COC(C)C)c1 308572559 573397783 /nfs/dbraw/zinc/39/77/83/573397783.db2.gz CMAWDMLXANTBNY-NSHDSACASA-N 0 0 197.278 2.314 10 0 AEAERN Oc1ccc(-n2cccn2)cc1Cl 224089609 573397786 /nfs/dbraw/zinc/39/77/86/573397786.db2.gz LDPSLDJPLSURQS-UHFFFAOYSA-N 0 0 194.621 2.231 10 0 AEAERN CSCCCNOC(C)(C)C 133415188 573397828 /nfs/dbraw/zinc/39/78/28/573397828.db2.gz WKNCPVABKLHEBH-UHFFFAOYSA-N 0 0 177.313 2.059 10 0 AEAERN CCCn1cc(NCC2CC2)cn1 308385247 573409505 /nfs/dbraw/zinc/40/95/05/573409505.db2.gz WMHIDHNYGDLPRC-UHFFFAOYSA-N 0 0 179.267 2.115 10 0 AEAERN C[C@H]1CNc2ccc(F)c(F)c21 118475358 573409523 /nfs/dbraw/zinc/40/95/23/573409523.db2.gz LWBXRHYCAQJJTH-YFKPBYRVSA-N 0 0 169.174 2.494 10 0 AEAERN CCN(C)c1cc(F)ccc1OC 259102418 573409548 /nfs/dbraw/zinc/40/95/48/573409548.db2.gz OJSCNUJAXRLFQS-UHFFFAOYSA-N 0 0 183.226 2.290 10 0 AEAERN C[C@H]1Nc2cccc(Cl)c2OC1=O 259440718 573409634 /nfs/dbraw/zinc/40/96/34/573409634.db2.gz ZXVAZMDSANORRR-RXMQYKEDSA-N 0 0 197.621 2.059 10 0 AEAERN Cc1ccc2c(c1)[C@@]1(C[C@@H]1C)C(=O)N2 235591114 573408961 /nfs/dbraw/zinc/40/89/61/573408961.db2.gz HCABKFLJUYZAHU-UFBFGSQYSA-N 0 0 187.242 2.225 10 0 AEAERN Cc1cc(Cl)c(C=O)c(C)c1O 257811160 573409145 /nfs/dbraw/zinc/40/91/45/573409145.db2.gz AXQGRSUWHWKGDK-UHFFFAOYSA-N 0 0 184.622 2.475 10 0 AEAERN CCCCC(=O)N(C)[C@H]1CC1(C)C 308385217 573409200 /nfs/dbraw/zinc/40/92/00/573409200.db2.gz WLFUPLYTDOOVAI-VIFPVBQESA-N 0 0 183.295 2.434 10 0 AEAERN COCNc1ccc2oc(C)nc2c1 259102336 573409236 /nfs/dbraw/zinc/40/92/36/573409236.db2.gz OIMWLFJJJDKUEN-UHFFFAOYSA-N 0 0 192.218 2.152 10 0 AEAERN CCCNC(=O)N1CCC(C)(C)CC1 74905125 573409284 /nfs/dbraw/zinc/40/92/84/573409284.db2.gz NRILBUGXJPKOBU-UHFFFAOYSA-N 0 0 198.310 2.228 10 0 AEAERN CCc1cccc(NCC[C@@H](C)O)c1 133547248 573409293 /nfs/dbraw/zinc/40/92/93/573409293.db2.gz UGTSSZWHEGVSRD-SNVBAGLBSA-N 0 0 193.290 2.432 10 0 AEAERN C[C@H]1C[C@]12C(=O)Nc1ccc(F)cc12 235591149 573409315 /nfs/dbraw/zinc/40/93/15/573409315.db2.gz VYAIMETWLAEVFX-KGFZYKRKSA-N 0 0 191.205 2.055 10 0 AEAERN Cc1cc(N)cnc1Nc1ccc[nH]1 258645491 573409370 /nfs/dbraw/zinc/40/93/70/573409370.db2.gz AOSHDORTIQNPTR-UHFFFAOYSA-N 0 0 188.234 2.044 10 0 AEAERN O=Cc1ccc(Cl)c2c[nH]nc12 259441454 573409405 /nfs/dbraw/zinc/40/94/05/573409405.db2.gz OWIFIGGGOWAQMD-UHFFFAOYSA-N 0 0 180.594 2.029 10 0 AEAERN CC(=O)c1cc([C@H]2CCCCO2)on1 259440663 573409451 /nfs/dbraw/zinc/40/94/51/573409451.db2.gz ZWYPCQYEFHNGLG-SECBINFHSA-N 0 0 195.218 2.119 10 0 AEAERN COc1ccc([C@@H]2C=C[C@H](O)C2)cc1 238382463 573410858 /nfs/dbraw/zinc/41/08/58/573410858.db2.gz JMWZVOBFCIJSQY-MNOVXSKESA-N 0 0 190.242 2.100 10 0 AEAERN COc1cc(C=O)cc(C(C)C)c1O 118498302 573410228 /nfs/dbraw/zinc/41/02/28/573410228.db2.gz KNAHDZGICFFGFX-UHFFFAOYSA-N 0 0 194.230 2.337 10 0 AEAERN COc1ccc(CC(F)(F)F)n1C 238381854 573410351 /nfs/dbraw/zinc/41/03/51/573410351.db2.gz GVCFODQBVIXEPO-UHFFFAOYSA-N 0 0 193.168 2.139 10 0 AEAERN COc1c(CF)ccnc1C(F)F 238381533 573410409 /nfs/dbraw/zinc/41/04/09/573410409.db2.gz NIAQUWSGQYMAJR-UHFFFAOYSA-N 0 0 191.152 2.497 10 0 AEAERN CCc1nc2c(s1)CCC[C@H]2O 83117321 573410509 /nfs/dbraw/zinc/41/05/09/573410509.db2.gz DRTVCHDKERAODN-ZCFIWIBFSA-N 0 0 183.276 2.075 10 0 AEAERN CCc1sc(N)nc1C(C)C 258646949 573410655 /nfs/dbraw/zinc/41/06/55/573410655.db2.gz ZGSWCSRAPFDDCJ-UHFFFAOYSA-N 0 0 170.281 2.411 10 0 AEAERN Cc1ccc(NCC2(CO)CCC2)o1 259102212 573410707 /nfs/dbraw/zinc/41/07/07/573410707.db2.gz XBMPNLZCSTWPBF-UHFFFAOYSA-N 0 0 195.262 2.163 10 0 AEAERN Cc1cc(C)c([C@@H](C)O)c(C)c1N 238381588 573410715 /nfs/dbraw/zinc/41/07/15/573410715.db2.gz ONOOUCQPTIMFES-SECBINFHSA-N 0 0 179.263 2.247 10 0 AEAERN CC(C)(C)OC(=O)C1[C@H]2CCC[C@@H]12 133481188 573410759 /nfs/dbraw/zinc/41/07/59/573410759.db2.gz URSNZNIPVMNRDX-JVHMLUBASA-N 0 0 182.263 2.374 10 0 AEAERN Cc1cc(-c2cc[nH]c2)nc(=S)[nH]1 259097035 573410827 /nfs/dbraw/zinc/41/08/27/573410827.db2.gz NIWBUGWJJIJETG-UHFFFAOYSA-N 0 0 191.259 2.069 10 0 AEAERN CCOC(C)(C)[C@H](O)CCC1CC1 133590435 573418038 /nfs/dbraw/zinc/41/80/38/573418038.db2.gz AIUTXPVOPGLHQP-SNVBAGLBSA-N 0 0 186.295 2.353 10 0 AEAERN Cc1ccccc1[C@H]1CC[C@@H]1CO 257810709 573418040 /nfs/dbraw/zinc/41/80/40/573418040.db2.gz AQBDKDRESDDNDQ-PWSUYJOCSA-N 0 0 176.259 2.481 10 0 AEAERN COc1ccnc(C(F)F)c1CF 238382916 573418048 /nfs/dbraw/zinc/41/80/48/573418048.db2.gz BLZGLIWUUZVNSC-UHFFFAOYSA-N 0 0 191.152 2.497 10 0 AEAERN CC(C)(CO)c1ccc2cnoc2c1 258019088 573418102 /nfs/dbraw/zinc/41/81/02/573418102.db2.gz HZPHGZPSOMRXJE-UHFFFAOYSA-N 0 0 191.230 2.098 10 0 AEAERN COc1ccnc(F)c1C(F)F 238384751 573417342 /nfs/dbraw/zinc/41/73/42/573417342.db2.gz KQEMUVCQQYUJEP-UHFFFAOYSA-N 0 0 177.125 2.167 10 0 AEAERN CC[C@H](CO)COc1cccc(F)c1 258338422 573417432 /nfs/dbraw/zinc/41/74/32/573417432.db2.gz ZBDIHFCCJGZQJH-SECBINFHSA-N 0 0 198.237 2.223 10 0 AEAERN Cc1coc([C@H](O)COCC2CC2)c1 715801190 573417477 /nfs/dbraw/zinc/41/74/77/573417477.db2.gz XBLXZWNHMIQEQC-SNVBAGLBSA-N 0 0 196.246 2.048 10 0 AEAERN C[C@@H]([NH3+])c1[nH]c2ccccc2c1F 238383235 573417487 /nfs/dbraw/zinc/41/74/87/573417487.db2.gz DSYCGGLSQMNGSX-ZCFIWIBFSA-N 0 0 178.210 2.327 10 0 AEAERN CC1(C[C@H](O)COC2CCC2)CCC1 714933995 573417526 /nfs/dbraw/zinc/41/75/26/573417526.db2.gz SYINIPLHECTWJZ-JTQLQIEISA-N 0 0 198.306 2.497 10 0 AEAERN CCCCC[C@@H](NN)C1(C)CC1 129893368 573417594 /nfs/dbraw/zinc/41/75/94/573417594.db2.gz YHIFZNYBXKWMFD-SECBINFHSA-N 0 0 170.300 2.199 10 0 AEAERN CC[C@@H](CO)COc1cccc(F)c1 258338425 573417672 /nfs/dbraw/zinc/41/76/72/573417672.db2.gz ZBDIHFCCJGZQJH-VIFPVBQESA-N 0 0 198.237 2.223 10 0 AEAERN C[C@@H](O)c1csc(C2CCC2)n1 83123597 573417822 /nfs/dbraw/zinc/41/78/22/573417822.db2.gz NBDDMDWERWTSDY-ZCFIWIBFSA-N 0 0 183.276 2.464 10 0 AEAERN C[C@@H]1C(=O)CCc2cccc(F)c21 259444584 573417862 /nfs/dbraw/zinc/41/78/62/573417862.db2.gz UXXVTCFZAGNONM-SSDOTTSWSA-N 0 0 178.206 2.445 10 0 AEAERN Cc1nc(C2CCC2)ncc1[C@@H](C)O 83136564 573417896 /nfs/dbraw/zinc/41/78/96/573417896.db2.gz RYJSCUTZLNVGEY-MRVPVSSYSA-N 0 0 192.262 2.106 10 0 AEAERN Cc1ccccc1[C@@H]1CC[C@H]1CO 257810707 573417910 /nfs/dbraw/zinc/41/79/10/573417910.db2.gz AQBDKDRESDDNDQ-CMPLNLGQSA-N 0 0 176.259 2.481 10 0 AEAERN COc1cc(C)nc(C(F)(F)F)c1 238383472 573417954 /nfs/dbraw/zinc/41/79/54/573417954.db2.gz PGOLWBLBNXVVIO-UHFFFAOYSA-N 0 0 191.152 2.417 10 0 AEAERN CC(C)c1cc(N)nc(C2CCC2)n1 83123650 573417960 /nfs/dbraw/zinc/41/79/60/573417960.db2.gz HDAFIQUBOCMYAM-UHFFFAOYSA-N 0 0 191.278 2.450 10 0 AEAERN COC(=O)c1cc(F)c2occc2c1 238384126 573418010 /nfs/dbraw/zinc/41/80/10/573418010.db2.gz OLWRTDYDEUMZNZ-UHFFFAOYSA-N 0 0 194.161 2.359 10 0 AEAERN CCc1ccc([C@@H](F)C(=O)OC)cc1 257810771 573421986 /nfs/dbraw/zinc/42/19/86/573421986.db2.gz APODMVYBJWSOKB-SNVBAGLBSA-N 0 0 196.221 2.433 10 0 AEAERN C[C@@H](c1ccc(F)c(F)c1)N(C)C=O 83144958 573422021 /nfs/dbraw/zinc/42/20/21/573422021.db2.gz FSDDOMXTCNXBLB-ZETCQYMHSA-N 0 0 199.200 2.114 10 0 AEAERN COc1cc(F)cc(/C=C\[C@@H](C)O)c1 308381573 573422041 /nfs/dbraw/zinc/42/20/41/573422041.db2.gz VQUZNOXPRDZXIB-TUUFMJSCSA-N 0 0 196.221 2.228 10 0 AEAERN C[C@@H]1CC(=O)[C@H](C)[C@@H](C)C1 118686617 573422104 /nfs/dbraw/zinc/42/21/04/573422104.db2.gz HZSBGSDJPDIGEI-BIIVOSGPSA-N 0 0 140.226 2.258 10 0 AEAERN CSc1cccc2c1CC(=O)CC2 238385431 573421407 /nfs/dbraw/zinc/42/14/07/573421407.db2.gz BDVDCNCGMZEKRX-UHFFFAOYSA-N 0 0 192.283 2.466 10 0 AEAERN C[C@@H](c1ccc(Cl)cc1)N(C)C=O 83144991 573421466 /nfs/dbraw/zinc/42/14/66/573421466.db2.gz WJNQSKHZHNTBPW-QMMMGPOBSA-N 0 0 197.665 2.489 10 0 AEAERN CCc1ccc(CNOC)cc1CC 258019200 573421467 /nfs/dbraw/zinc/42/14/67/573421467.db2.gz ICGFMHHEQALPNG-UHFFFAOYSA-N 0 0 193.290 2.462 10 0 AEAERN CC(C)NC(=O)N1[C@@H](C)CCC[C@H]1C 74921441 573421510 /nfs/dbraw/zinc/42/15/10/573421510.db2.gz DBSUOKLHPYRUPZ-AOOOYVTPSA-N 0 0 198.310 2.367 10 0 AEAERN COC[C@H](O)c1cc(C)c(C)cc1C 83138684 573421520 /nfs/dbraw/zinc/42/15/20/573421520.db2.gz OBEYRQVKZOYJOX-LBPRGKRZSA-N 0 0 194.274 2.292 10 0 AEAERN COc1ccc2oc(CO)c(C)c2c1 238385308 573421529 /nfs/dbraw/zinc/42/15/29/573421529.db2.gz KMQOODRYJMZRMF-UHFFFAOYSA-N 0 0 192.214 2.242 10 0 AEAERN CSc1cccc2c1CCC(=O)C2 238385412 573421539 /nfs/dbraw/zinc/42/15/39/573421539.db2.gz GVJDZOLFUDUKHR-UHFFFAOYSA-N 0 0 192.283 2.466 10 0 AEAERN Cc1cc(CCCO)c(C)cc1F 258024668 573421541 /nfs/dbraw/zinc/42/15/41/573421541.db2.gz IMDSQQZZSHXIAK-UHFFFAOYSA-N 0 0 182.238 2.367 10 0 AEAERN Cc1cc(CCO)cc(F)c1CF 258024645 573421586 /nfs/dbraw/zinc/42/15/86/573421586.db2.gz ILFWJYDSJSJGTM-UHFFFAOYSA-N 0 0 186.201 2.138 10 0 AEAERN CC(C)n1[nH]c(=O)c2cc(O)ccc21 257810800 573421598 /nfs/dbraw/zinc/42/15/98/573421598.db2.gz ARLHDHSDTLUPGY-UHFFFAOYSA-N 0 0 192.218 2.028 10 0 AEAERN Cc1cccc2nc(CC(C)C)nn12 258019405 573421605 /nfs/dbraw/zinc/42/16/05/573421605.db2.gz RMDNPAQCWRWDMT-UHFFFAOYSA-N 0 0 189.262 2.236 10 0 AEAERN CN(C=O)[C@H]1CCCc2ccccc21 83144985 573421634 /nfs/dbraw/zinc/42/16/34/573421634.db2.gz LLXOCUMYAMIJJU-LBPRGKRZSA-N 0 0 189.258 2.152 10 0 AEAERN COC[C@@H](O)c1cc(C)c(C)cc1C 83138681 573421652 /nfs/dbraw/zinc/42/16/52/573421652.db2.gz OBEYRQVKZOYJOX-GFCCVEGCSA-N 0 0 194.274 2.292 10 0 AEAERN Clc1ccn2c(C3CC3)nnc2c1 258026341 573421781 /nfs/dbraw/zinc/42/17/81/573421781.db2.gz CAGGGHAXVZNJPZ-UHFFFAOYSA-N 0 0 193.637 2.260 10 0 AEAERN C[C@H](Nc1cn[nH]c1)c1nccs1 83142662 573422142 /nfs/dbraw/zinc/42/21/42/573422142.db2.gz PCHJWKJFSQMTES-LURJTMIESA-N 0 0 194.263 2.039 10 0 AEAERN CCCC[C@H](O)c1ccc(F)nc1 686125320 573421804 /nfs/dbraw/zinc/42/18/04/573421804.db2.gz GHZBBINTIWLMHQ-VIFPVBQESA-N 0 0 183.226 2.444 10 0 AEAERN Cc1nc(C(=O)OCC2CC2)cs1 308381624 573421819 /nfs/dbraw/zinc/42/18/19/573421819.db2.gz QOXQDMAVXXBUSO-UHFFFAOYSA-N 0 0 197.259 2.018 10 0 AEAERN Nc1cocc1-c1ccc(O)cc1 258019227 573421865 /nfs/dbraw/zinc/42/18/65/573421865.db2.gz BTLOBVDIAUYRIA-UHFFFAOYSA-N 0 0 175.187 2.234 10 0 AEAERN CC[C@H](F)CN(C)Cc1ccco1 308381844 573421884 /nfs/dbraw/zinc/42/18/84/573421884.db2.gz UWZGSCWLIONQGL-VIFPVBQESA-N 0 0 185.242 2.460 10 0 AEAERN CC(C)(C)Cc1nc2n(n1)CCCC2 258648503 573421890 /nfs/dbraw/zinc/42/18/90/573421890.db2.gz WVJHGHGNMNRITA-UHFFFAOYSA-N 0 0 193.294 2.203 10 0 AEAERN Clc1c[nH]nc1-c1nccs1 83142829 573421917 /nfs/dbraw/zinc/42/19/17/573421917.db2.gz FGZAKNAKNYBSND-UHFFFAOYSA-N 0 0 185.639 2.187 10 0 AEAERN O=C(Cc1ccncc1Cl)C1CC1 83141730 573421939 /nfs/dbraw/zinc/42/19/39/573421939.db2.gz HBPPHANXBAOANT-UHFFFAOYSA-N 0 0 195.649 2.257 10 0 AEAERN C[C@@H](c1cc(F)ccc1F)N(C)C=O 83145017 573421975 /nfs/dbraw/zinc/42/19/75/573421975.db2.gz GYPPJKIONRJTAQ-ZETCQYMHSA-N 0 0 199.200 2.114 10 0 AEAERN C/C=C\CCNc1cnc(C)c(C)n1 308382287 573427065 /nfs/dbraw/zinc/42/70/65/573427065.db2.gz QPKGWNDBJOLYQW-PLNGDYQASA-N 0 0 191.278 2.472 10 0 AEAERN Cc1cc([C@@H](C)NC=O)c(C)s1 83145400 573426306 /nfs/dbraw/zinc/42/63/06/573426306.db2.gz JDADRSQMELEYGM-SSDOTTSWSA-N 0 0 183.276 2.172 10 0 AEAERN CSc1nc2cccc(C=O)c2o1 238390261 573426354 /nfs/dbraw/zinc/42/63/54/573426354.db2.gz ZYXNFPNIAILEAM-UHFFFAOYSA-N 0 0 193.227 2.362 10 0 AEAERN OC[C@@H]1CC[C@H]1c1ccc(F)cc1 257811633 573426446 /nfs/dbraw/zinc/42/64/46/573426446.db2.gz BFIGRKCTYLXOMQ-ONGXEEELSA-N 0 0 180.222 2.312 10 0 AEAERN CS[C@@]1(C)CCC[C@@H](C)C1=O 238391143 573426460 /nfs/dbraw/zinc/42/64/60/573426460.db2.gz NEAFWGKXOTZULN-APPZFPTMSA-N 0 0 172.293 2.497 10 0 AEAERN Cc1ccccc1[C@H]1CC(C=O)=NO1 257811321 573426500 /nfs/dbraw/zinc/42/65/00/573426500.db2.gz BDWQYMNEOIVOFS-LLVKDONJSA-N 0 0 189.214 2.011 10 0 AEAERN CC(C)Cc1nc(C[C@@H](C)O)cs1 258029315 573426518 /nfs/dbraw/zinc/42/65/18/573426518.db2.gz JXULQKNVPVKDJW-MRVPVSSYSA-N 0 0 199.319 2.265 10 0 AEAERN CN[C@H](CCC1CC1)C(F)(F)F 130005438 573426519 /nfs/dbraw/zinc/42/65/19/573426519.db2.gz DCDWIVCDSHSKKH-SSDOTTSWSA-N 0 0 181.201 2.327 10 0 AEAERN CCc1cc(CNO)c(F)cc1F 258027661 573426557 /nfs/dbraw/zinc/42/65/57/573426557.db2.gz IRVMPIWQJLHNGI-UHFFFAOYSA-N 0 0 187.189 2.006 10 0 AEAERN CC[C@](C)(O)c1cccc(O)c1 118811481 573426571 /nfs/dbraw/zinc/42/65/71/573426571.db2.gz PZNAOQZZHXKQKQ-JTQLQIEISA-N 0 0 166.220 2.010 10 0 AEAERN O=CNc1cc(Cl)ccc1F 83145671 573426578 /nfs/dbraw/zinc/42/65/78/573426578.db2.gz POXCOQIQBPOUFJ-UHFFFAOYSA-N 0 0 173.574 2.047 10 0 AEAERN CC[C@H](C)N(C=O)Cc1ccccc1 83145635 573426618 /nfs/dbraw/zinc/42/66/18/573426618.db2.gz BVUNUKFNVCXNJI-NSHDSACASA-N 0 0 191.274 2.444 10 0 AEAERN C[C@H](CO)c1ccc2scnc2c1 258027623 573426667 /nfs/dbraw/zinc/42/66/67/573426667.db2.gz IRPZAGZEASHNMX-SSDOTTSWSA-N 0 0 193.271 2.392 10 0 AEAERN CCCN(C=O)Cc1ccc(C)cc1 83145637 573426670 /nfs/dbraw/zinc/42/66/70/573426670.db2.gz HKVPNXRIOYOUMM-UHFFFAOYSA-N 0 0 191.274 2.363 10 0 AEAERN COc1cc(CCO)ccc1C(C)C 258030211 573426671 /nfs/dbraw/zinc/42/66/71/573426671.db2.gz IWVNQQLFAMFIHC-UHFFFAOYSA-N 0 0 194.274 2.353 10 0 AEAERN CCCOc1cc(C)ccc1NC=O 83145557 573426711 /nfs/dbraw/zinc/42/67/11/573426711.db2.gz UCKBMPMHHKYAGU-UHFFFAOYSA-N 0 0 193.246 2.352 10 0 AEAERN C=CO[C@@H](C)C(C)C 78318172 573426730 /nfs/dbraw/zinc/42/67/30/573426730.db2.gz FTHQFVMSQQIXHI-ZETCQYMHSA-N 0 0 114.188 2.191 10 0 AEAERN C[C@H](NC=O)c1ccc(Cl)s1 83145274 573426746 /nfs/dbraw/zinc/42/67/46/573426746.db2.gz YAMVWRKMDKOPDU-YFKPBYRVSA-N 0 0 189.667 2.209 10 0 AEAERN CC(=O)Cc1cc(F)ccc1N(C)C 258030229 573426808 /nfs/dbraw/zinc/42/68/08/573426808.db2.gz IXDOYJZWENOSKR-UHFFFAOYSA-N 0 0 195.237 2.023 10 0 AEAERN Nc1ccc(Cl)c2oncc12 259446259 573426852 /nfs/dbraw/zinc/42/68/52/573426852.db2.gz PIWGRHHKSXVISO-UHFFFAOYSA-N 0 0 168.583 2.063 10 0 AEAERN Cc1ccc([C@H](C)NC=O)c(C)c1 83145540 573426865 /nfs/dbraw/zinc/42/68/65/573426865.db2.gz LCULPYCZANKRRQ-JTQLQIEISA-N 0 0 177.247 2.110 10 0 AEAERN CC(C)Oc1ccc(NC=O)cc1 83145714 573426877 /nfs/dbraw/zinc/42/68/77/573426877.db2.gz ZQFCWMFRQFAQPO-UHFFFAOYSA-N 0 0 179.219 2.042 10 0 AEAERN O[C@@H]1CC[C@H](c2ccc(Cl)nc2)C1 118830913 573426880 /nfs/dbraw/zinc/42/68/80/573426880.db2.gz SBAISYZMCHHZNO-IONNQARKSA-N 0 0 197.665 2.363 10 0 AEAERN C/C=C\CCNC(=O)/C(C)=C\CC 308389294 573426937 /nfs/dbraw/zinc/42/69/37/573426937.db2.gz YTKBGKDIYQZCRA-GKXDXITGSA-N 0 0 181.279 2.425 10 0 AEAERN C[C@@H](NC=O)c1ccc(Cl)s1 83145275 573426940 /nfs/dbraw/zinc/42/69/40/573426940.db2.gz YAMVWRKMDKOPDU-RXMQYKEDSA-N 0 0 189.667 2.209 10 0 AEAERN Oc1ccccc1CCC1(O)CCC1 258028253 573426962 /nfs/dbraw/zinc/42/69/62/573426962.db2.gz NSCLENQTZIMYFG-UHFFFAOYSA-N 0 0 192.258 2.240 10 0 AEAERN CCCc1ccccc1NC=O 83145251 573426974 /nfs/dbraw/zinc/42/69/74/573426974.db2.gz LWKZNIHOMBVRSM-UHFFFAOYSA-N 0 0 163.220 2.207 10 0 AEAERN COC[C@]1(C)CCC[C@@H](C)C1=O 238392353 573426990 /nfs/dbraw/zinc/42/69/90/573426990.db2.gz AXWUWSRBXQQRGA-SCZZXKLOSA-N 0 0 170.252 2.028 10 0 AEAERN O=CNc1cccc2c(O)cccc12 83145425 573427008 /nfs/dbraw/zinc/42/70/08/573427008.db2.gz NZBWAMVVYDAZFP-UHFFFAOYSA-N 0 0 187.198 2.114 10 0 AEAERN c1nc(-c2ccc3ocnc3c2)c[nH]1 144121190 573427028 /nfs/dbraw/zinc/42/70/28/573427028.db2.gz MVQNIXFJTHIGOV-UHFFFAOYSA-N 0 0 185.186 2.218 10 0 AEAERN Cc1c(Cl)cc(F)cc1CNO 258027703 573429792 /nfs/dbraw/zinc/42/97/92/573429792.db2.gz ISKFOBHCCWWCGX-UHFFFAOYSA-N 0 0 189.617 2.266 10 0 AEAERN c1ccc(NCc2cnsn2)cc1 86454014 573429797 /nfs/dbraw/zinc/42/97/97/573429797.db2.gz MPWPFESLOWVWSZ-UHFFFAOYSA-N 0 0 191.259 2.150 10 0 AEAERN COc1cccc(CC2CC2)c1N 257812075 573429800 /nfs/dbraw/zinc/42/98/00/573429800.db2.gz BLNQZPHHQKGWGZ-UHFFFAOYSA-N 0 0 177.247 2.230 10 0 AEAERN CCOCc1c[nH]c2cc(O)ccc12 258031659 573429856 /nfs/dbraw/zinc/42/98/56/573429856.db2.gz MZAWBTSDQHMPKH-UHFFFAOYSA-N 0 0 191.230 2.410 10 0 AEAERN O=CNc1ccc2sccc2c1 83145254 573429874 /nfs/dbraw/zinc/42/98/74/573429874.db2.gz XQWCITAEMBPIJN-UHFFFAOYSA-N 0 0 177.228 2.470 10 0 AEAERN C[C@@H](CO)c1ccc2scnc2c1 258027626 573429881 /nfs/dbraw/zinc/42/98/81/573429881.db2.gz IRPZAGZEASHNMX-ZETCQYMHSA-N 0 0 193.271 2.392 10 0 AEAERN O=CNc1ccc(Cl)cc1F 83145826 573429899 /nfs/dbraw/zinc/42/98/99/573429899.db2.gz IXUMNOVEMACFJU-UHFFFAOYSA-N 0 0 173.574 2.047 10 0 AEAERN C[C@H](Cc1ccccc1Cl)NC=O 83145180 573429930 /nfs/dbraw/zinc/42/99/30/573429930.db2.gz MLWOQAWTMWWTEH-MRVPVSSYSA-N 0 0 197.665 2.017 10 0 AEAERN CC(C)(C)[C@H]1CCCC[C@H]1NC=O 83145119 573429954 /nfs/dbraw/zinc/42/99/54/573429954.db2.gz BSOXTZBXYZWPHC-VHSXEESVSA-N 0 0 183.295 2.337 10 0 AEAERN Cc1ccccc1[C@@H]1CCCN1C=O 83145505 573429961 /nfs/dbraw/zinc/42/99/61/573429961.db2.gz NQSGAMAGDFYZAN-LBPRGKRZSA-N 0 0 189.258 2.288 10 0 AEAERN CC(C)(C)OC(=O)C1CC=CC1 86453374 573429975 /nfs/dbraw/zinc/42/99/75/573429975.db2.gz RXQLNMAPQLUGAA-UHFFFAOYSA-N 0 0 168.236 2.294 10 0 AEAERN C[C@@H](NC=O)c1ccccc1Cl 83145792 573430002 /nfs/dbraw/zinc/43/00/02/573430002.db2.gz UOZGTSQLQVUVTF-SSDOTTSWSA-N 0 0 183.638 2.147 10 0 AEAERN CS[C@H](C)[C@H](O)c1ccccc1 238392877 573430017 /nfs/dbraw/zinc/43/00/17/573430017.db2.gz BAIKTCDWPJOCEP-SCZZXKLOSA-N 0 0 182.288 2.472 10 0 AEAERN Oc1ccccc1N1CCC(F)CC1 258027564 573430032 /nfs/dbraw/zinc/43/00/32/573430032.db2.gz ILWZNHFPSXPMKK-UHFFFAOYSA-N 0 0 195.237 2.331 10 0 AEAERN COc1ccccc1C[C@H](F)C(C)=O 257812549 573430047 /nfs/dbraw/zinc/43/00/47/573430047.db2.gz BTFLNROQIMVTDH-JTQLQIEISA-N 0 0 196.221 2.165 10 0 AEAERN C[C@@H](NC=O)c1cc2ccccc2o1 83145294 573430088 /nfs/dbraw/zinc/43/00/88/573430088.db2.gz JLTBXBYSGYPOJO-MRVPVSSYSA-N 0 0 189.214 2.240 10 0 AEAERN Cc1ccccc1[C@H]1CCCN1C=O 83145506 573430096 /nfs/dbraw/zinc/43/00/96/573430096.db2.gz NQSGAMAGDFYZAN-GFCCVEGCSA-N 0 0 189.258 2.288 10 0 AEAERN C[C@H](NC=O)c1cccc(Cl)c1 83145793 573430169 /nfs/dbraw/zinc/43/01/69/573430169.db2.gz NNWPCGVSEPWOBJ-ZETCQYMHSA-N 0 0 183.638 2.147 10 0 AEAERN Cc1ccc(C)c([C@@H](C)NC=O)c1 83145336 573430176 /nfs/dbraw/zinc/43/01/76/573430176.db2.gz AEGBWFVKIOZYON-SNVBAGLBSA-N 0 0 177.247 2.110 10 0 AEAERN O=CN1CCC[C@H]1C1CCCCC1 83145497 573430193 /nfs/dbraw/zinc/43/01/93/573430193.db2.gz AXZOYZWUMVDHFZ-NSHDSACASA-N 0 0 181.279 2.188 10 0 AEAERN O=CNc1cccc(Cl)c1F 83145715 573430218 /nfs/dbraw/zinc/43/02/18/573430218.db2.gz ZNELVEXYJCEKKN-UHFFFAOYSA-N 0 0 173.574 2.047 10 0 AEAERN Cc1ccc(CC2(O)CC2)cc1F 258028667 573430250 /nfs/dbraw/zinc/43/02/50/573430250.db2.gz OVVYYBGOQSKJQN-UHFFFAOYSA-N 0 0 180.222 2.202 10 0 AEAERN Nc1cc(-c2ccc(F)cc2)c[nH]1 258028944 573430321 /nfs/dbraw/zinc/43/03/21/573430321.db2.gz CMHVWMNDDJSCFO-UHFFFAOYSA-N 0 0 176.194 2.403 10 0 AEAERN CC[C@@H](C)Oc1cccc(NC=O)c1 83145871 573430325 /nfs/dbraw/zinc/43/03/25/573430325.db2.gz WYMYGFCLNLGWFH-SECBINFHSA-N 0 0 193.246 2.432 10 0 AEAERN O=C(NC(F)(F)F)C1CCCCC1 118824301 573430378 /nfs/dbraw/zinc/43/03/78/573430378.db2.gz YVVUUBOHHVSUET-UHFFFAOYSA-N 0 0 195.184 2.203 10 0 AEAERN C[C@@H]1C(=O)NCc2cc(Cl)ccc21 238392172 573430458 /nfs/dbraw/zinc/43/04/58/573430458.db2.gz DBIRKQGLKWLNJQ-LURJTMIESA-N 0 0 195.649 2.073 10 0 AEAERN CCCOc1ccc2cc[nH]c2n1 144141556 573430477 /nfs/dbraw/zinc/43/04/77/573430477.db2.gz LDLPRGMACDZPOF-UHFFFAOYSA-N 0 0 176.219 2.352 10 0 AEAERN CC[C@@](C)(O)c1cccc(O)c1 118811479 573430487 /nfs/dbraw/zinc/43/04/87/573430487.db2.gz PZNAOQZZHXKQKQ-SNVBAGLBSA-N 0 0 166.220 2.010 10 0 AEAERN C[C@@H](O)C[C@@H]1SN1c1ccccc1 238397683 573442170 /nfs/dbraw/zinc/44/21/70/573442170.db2.gz HISUECLVXNNYDP-CROYVZGASA-N 0 0 195.287 2.252 10 0 AEAERN C[C@H]1CCCc2nnc(C(C)(C)C)n21 258023261 573442223 /nfs/dbraw/zinc/44/22/23/573442223.db2.gz BXWJEGHWBGKRGS-QMMMGPOBSA-N 0 0 193.294 2.473 10 0 AEAERN OCC/C=C\C1CCSCC1 258023501 573442263 /nfs/dbraw/zinc/44/22/63/573442263.db2.gz BSECTSNLJVDATI-IWQZZHSRSA-N 0 0 172.293 2.068 10 0 AEAERN C[C@H](O)c1ncc2c(Cl)cccn12 257813685 573442278 /nfs/dbraw/zinc/44/22/78/573442278.db2.gz CIAWPZGZNGJGPE-LURJTMIESA-N 0 0 196.637 2.041 10 0 AEAERN COC(=O)Nc1cc(F)ccc1OC 74983102 573441659 /nfs/dbraw/zinc/44/16/59/573441659.db2.gz UXNJEAHHFOJKCZ-UHFFFAOYSA-N 0 0 199.181 2.013 10 0 AEAERN Cc1[nH]c(=O)oc1C1CCCC1 258652316 573441672 /nfs/dbraw/zinc/44/16/72/573441672.db2.gz ZQAGRKQQQGDASN-UHFFFAOYSA-N 0 0 167.208 2.346 10 0 AEAERN CC(=O)[C@@H]1C[C@@H](C[C@@H](C)O)C1(C)C 238397350 573441698 /nfs/dbraw/zinc/44/16/98/573441698.db2.gz ZOGJLJDHAOLLAG-QNSHHTMESA-N 0 0 184.279 2.009 10 0 AEAERN CC[C@H](O)c1ccc(C)cc1N 258652302 573441732 /nfs/dbraw/zinc/44/17/32/573441732.db2.gz ZPVKRHMJHOLGSM-JTQLQIEISA-N 0 0 165.236 2.021 10 0 AEAERN C[C@H](O)Cc1ccccc1CF 258037691 573441769 /nfs/dbraw/zinc/44/17/69/573441769.db2.gz PUYURKMJYNORDQ-QMMMGPOBSA-N 0 0 168.211 2.079 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/nfs/dbraw/zinc/45/86/21/573458621.db2.gz OGJCNRWJVKHFRF-UHFFFAOYSA-N 0 0 179.219 2.022 10 0 AEAERN CC(C)(C)c1cn2c(n1)CCC[C@H]2O 258354957 573458624 /nfs/dbraw/zinc/45/86/24/573458624.db2.gz LNJHWWYMNIRPPJ-SNVBAGLBSA-N 0 0 194.278 2.008 10 0 AEAERN COc1cc(OC)c(C(F)F)cn1 238403683 573458639 /nfs/dbraw/zinc/45/86/39/573458639.db2.gz VCWFRTZOHQTNAT-UHFFFAOYSA-N 0 0 189.161 2.036 10 0 AEAERN C[C@@H](CC[NH3+])c1ccc(N)c([S-])c1 259454605 573458640 /nfs/dbraw/zinc/45/86/40/573458640.db2.gz KSNNNYGRAFTFTE-ZETCQYMHSA-N 0 0 196.319 2.010 10 0 AEAERN C[C@@H](O)c1c[nH]c2c(F)cccc12 258365968 573458653 /nfs/dbraw/zinc/45/86/53/573458653.db2.gz ZPIHUWHREVLUTK-ZCFIWIBFSA-N 0 0 179.194 2.360 10 0 AEAERN C[C@@H]1C=CC[C@@H]2C(=O)CC[C@H]12 238402466 573458656 /nfs/dbraw/zinc/45/86/56/573458656.db2.gz GZOGWQVFKCTSQQ-HLTSFMKQSA-N 0 0 150.221 2.178 10 0 AEAERN COc1c(C(F)F)ncc(F)c1F 238403555 573458661 /nfs/dbraw/zinc/45/86/61/573458661.db2.gz GSFAOYOCQLOKBC-UHFFFAOYSA-N 0 0 195.115 2.306 10 0 AEAERN CC(C)(C)c1cn2c(n1)CCC[C@@H]2O 258354954 573458670 /nfs/dbraw/zinc/45/86/70/573458670.db2.gz LNJHWWYMNIRPPJ-JTQLQIEISA-N 0 0 194.278 2.008 10 0 AEAERN CSc1cc(=O)cc(C)s1 238402961 573458678 /nfs/dbraw/zinc/45/86/78/573458678.db2.gz WTAZLAROIPRORS-UHFFFAOYSA-N 0 0 172.274 2.139 10 0 AEAERN Cc1cc2c(cc(C=O)n2C)s1 257814501 573458710 /nfs/dbraw/zinc/45/87/10/573458710.db2.gz CJGCWBMZPNLVAC-UHFFFAOYSA-N 0 0 179.244 2.361 10 0 AEAERN Nc1cccc(-c2ocnc2CF)c1 107263192 573458773 /nfs/dbraw/zinc/45/87/73/573458773.db2.gz RMWHGSFGUBZURS-UHFFFAOYSA-N 0 0 192.193 2.393 10 0 AEAERN C[C@@H](F)c1cccc(N)c1 107265677 573458797 /nfs/dbraw/zinc/45/87/97/573458797.db2.gz FUBGXQYHDAAZOT-ZCFIWIBFSA-N 0 0 139.173 2.299 10 0 AEAERN Nc1cccc([C@@H]2C[C@@H]2F)c1 259456587 573458848 /nfs/dbraw/zinc/45/88/48/573458848.db2.gz VTUHVAYPHDRITP-IUCAKERBSA-N 0 0 151.184 2.094 10 0 AEAERN Cc1cc(CCON)ccc1Cl 258033657 573459682 /nfs/dbraw/zinc/45/96/82/573459682.db2.gz JFVDJRFSIPXNPY-UHFFFAOYSA-N 0 0 185.654 2.081 10 0 AEAERN OCCC[C@@H]1C[C@]1(O)C1=CCCCC1 308592178 573459720 /nfs/dbraw/zinc/45/97/20/573459720.db2.gz PLTJZSZAHLGRMQ-NEPJUHHUSA-N 0 0 196.290 2.010 10 0 AEAERN CCC(=O)[C@@H]1CCC[C@@H](OC)C1 142639494 573459763 /nfs/dbraw/zinc/45/97/63/573459763.db2.gz SEKBYJPVLRAFSZ-RKDXNWHRSA-N 0 0 170.252 2.171 10 0 AEAERN Cc1ccc(CO[C@@H](C)O)cc1C 142648523 573459796 /nfs/dbraw/zinc/45/97/96/573459796.db2.gz FBDOYKOSZDTEGV-JTQLQIEISA-N 0 0 180.247 2.158 10 0 AEAERN CC(=O)CC=C1CCCC1 142617584 573459817 /nfs/dbraw/zinc/45/98/17/573459817.db2.gz ZTMAYXUTUHXWGB-UHFFFAOYSA-N 0 0 138.210 2.466 10 0 AEAERN Cc1ccc(-n2cccc2)cc1CO 142660496 573459826 /nfs/dbraw/zinc/45/98/26/573459826.db2.gz AWXGUWNINXQDKM-UHFFFAOYSA-N 0 0 187.242 2.278 10 0 AEAERN COc1cnc(C)cc1C(F)F 238402233 573459849 /nfs/dbraw/zinc/45/98/49/573459849.db2.gz FUHUVPYXZKVEGB-UHFFFAOYSA-N 0 0 173.162 2.336 10 0 AEAERN COc1cnc(C)c(F)c1C(F)F 238401934 573459868 /nfs/dbraw/zinc/45/98/68/573459868.db2.gz LQIYITMRNKYCQA-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN COc1cc([C@H](C)O)cc(F)c1C 258033115 573459987 /nfs/dbraw/zinc/45/99/87/573459987.db2.gz JAYHXWOOGYBVIK-ZETCQYMHSA-N 0 0 184.210 2.196 10 0 AEAERN COc1cccc2c(C)onc12 238402242 573459992 /nfs/dbraw/zinc/45/99/92/573459992.db2.gz SNAIMXZZNYWIMX-UHFFFAOYSA-N 0 0 163.176 2.145 10 0 AEAERN COc1cc2c(Cl)nccc2cn1 238402601 573459997 /nfs/dbraw/zinc/45/99/97/573459997.db2.gz FPVSDMKWCOMXKG-UHFFFAOYSA-N 0 0 194.621 2.292 10 0 AEAERN C[C@H](O)c1ccc2[nH]ccc2c1F 258032939 573460004 /nfs/dbraw/zinc/46/00/04/573460004.db2.gz PHSNSVIUQJDGEJ-LURJTMIESA-N 0 0 179.194 2.360 10 0 AEAERN Cc1cc(F)c(Cl)cc1CON 258033706 573460009 /nfs/dbraw/zinc/46/00/09/573460009.db2.gz JGQGBBWIOUEWCC-UHFFFAOYSA-N 0 0 189.617 2.178 10 0 AEAERN CC(C)Cc1cn2c(n1)CCCC2 258372268 573460043 /nfs/dbraw/zinc/46/00/43/573460043.db2.gz MIAZDVYPERRZKD-UHFFFAOYSA-N 0 0 178.279 2.418 10 0 AEAERN COc1ncc(C(F)F)c(C)c1O 238402806 573460074 /nfs/dbraw/zinc/46/00/74/573460074.db2.gz VEJBSGJKUIJYKZ-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN COc1c(C(F)F)cnc(C)c1F 238402156 573460081 /nfs/dbraw/zinc/46/00/81/573460081.db2.gz GHHQEKFMJGRAEP-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN COc1cc([C@@H](C)O)cc(F)c1C 258033107 573460124 /nfs/dbraw/zinc/46/01/24/573460124.db2.gz JAYHXWOOGYBVIK-SSDOTTSWSA-N 0 0 184.210 2.196 10 0 AEAERN Cc1ccc([C@]2(C)NC(C)(C)CO2)o1 258366453 573460145 /nfs/dbraw/zinc/46/01/45/573460145.db2.gz GMUPQPSXNHKJME-LLVKDONJSA-N 0 0 195.262 2.159 10 0 AEAERN C[C@@H]1C=CCc2ccccc1c2=O 238402729 573460147 /nfs/dbraw/zinc/46/01/47/573460147.db2.gz VWQZXYNKHOHDCL-SECBINFHSA-N 0 0 172.227 2.263 10 0 AEAERN COc1cc(C)c(CNO)c(C)c1C 259458632 573460158 /nfs/dbraw/zinc/46/01/58/573460158.db2.gz NDSBIGTUXUHABL-UHFFFAOYSA-N 0 0 195.262 2.099 10 0 AEAERN CC(C)[C@@]12C[C@@H]1[C@@H](C)CC2=O 142612021 573460171 /nfs/dbraw/zinc/46/01/71/573460171.db2.gz HWBBMVBLJACLIN-XKSSXDPKSA-N 0 0 152.237 2.258 10 0 AEAERN CC(C)[C@H](O)C(F)(F)C(F)(F)F 142629296 573460185 /nfs/dbraw/zinc/46/01/85/573460185.db2.gz OCLHTLTWUKWEJZ-BYPYZUCNSA-N 0 0 192.127 2.201 10 0 AEAERN COc1ccc2cc(N)cc(O)c2c1 257815135 573460198 /nfs/dbraw/zinc/46/01/98/573460198.db2.gz CVCKQBCQUXHTTB-UHFFFAOYSA-N 0 0 189.214 2.136 10 0 AEAERN COc1cc(CF)ncc1C(F)F 238402208 573460225 /nfs/dbraw/zinc/46/02/25/573460225.db2.gz KZDWRKQRYMQEFT-UHFFFAOYSA-N 0 0 191.152 2.497 10 0 AEAERN Cc1sc(=O)[nH]c1CC(C)C 257814961 573460267 /nfs/dbraw/zinc/46/02/67/573460267.db2.gz CPSZLGHBTUXUJO-UHFFFAOYSA-N 0 0 171.265 2.356 10 0 AEAERN CC(=O)c1cc(C)cc(O)c1F 258033182 573460285 /nfs/dbraw/zinc/46/02/85/573460285.db2.gz PKCHTYOGWFGTPL-UHFFFAOYSA-N 0 0 168.167 2.042 10 0 AEAERN Nc1cnc(C2CCCCC2)c(N)c1 257814767 573460294 /nfs/dbraw/zinc/46/02/94/573460294.db2.gz CRUTWJQVXYCJRR-UHFFFAOYSA-N 0 0 191.278 2.294 10 0 AEAERN CC(C)c1nnc2n1[C@@H](C)CCC2 258033460 573460296 /nfs/dbraw/zinc/46/02/96/573460296.db2.gz CHPTUENQKVAHFF-QMMMGPOBSA-N 0 0 179.267 2.299 10 0 AEAERN C[C@H](CO)[C@@H]1CCc2cc(O)ccc21 257815102 573460346 /nfs/dbraw/zinc/46/03/46/573460346.db2.gz CTZKAIYXSRCDQS-KCJUWKMLSA-N 0 0 192.258 2.050 10 0 AEAERN C[C@H](CO)[C@H]1CCc2cc(O)ccc21 257815104 573460358 /nfs/dbraw/zinc/46/03/58/573460358.db2.gz CTZKAIYXSRCDQS-LDYMZIIASA-N 0 0 192.258 2.050 10 0 AEAERN CC(C)C1=NC(C)C(=O)S1 259457670 573460368 /nfs/dbraw/zinc/46/03/68/573460368.db2.gz YIVGKRBYSXEGHL-UHFFFAOYSA-N 0 0 157.238 2.281 10 0 AEAERN C[C@@H]1CCc2nnc(C3CCC3)n2C1 258381593 573460437 /nfs/dbraw/zinc/46/04/37/573460437.db2.gz TUWHQAIBUXZCQX-MRVPVSSYSA-N 0 0 191.278 2.128 10 0 AEAERN COc1cc(CF)cnc1C(F)F 238402144 573460754 /nfs/dbraw/zinc/46/07/54/573460754.db2.gz WAGBDQOIHCIIPD-UHFFFAOYSA-N 0 0 191.152 2.497 10 0 AEAERN COc1c(C(F)F)cnc(F)c1F 238403638 573460766 /nfs/dbraw/zinc/46/07/66/573460766.db2.gz XRBOTTJWDFOCGO-UHFFFAOYSA-N 0 0 195.115 2.306 10 0 AEAERN Cc1ccnc(-c2cccc(O)c2)n1 257815003 573460775 /nfs/dbraw/zinc/46/07/75/573460775.db2.gz CRVRIIVCYIJIOW-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN C[C@@H](O)CC1=COc2ccccc2O1 238403185 573460776 /nfs/dbraw/zinc/46/07/76/573460776.db2.gz YITNPIOTBVSACV-MRVPVSSYSA-N 0 0 192.214 2.070 10 0 AEAERN OCCc1cccc(F)c1C(F)F 258033730 573460818 /nfs/dbraw/zinc/46/08/18/573460818.db2.gz JHFNGZQFJRQWGW-UHFFFAOYSA-N 0 0 190.164 2.298 10 0 AEAERN Cc1cc(C=O)c(C[C@H](C)O)cc1C 258033663 573460828 /nfs/dbraw/zinc/46/08/28/573460828.db2.gz JGAGPLGCFUFQGO-JTQLQIEISA-N 0 0 192.258 2.039 10 0 AEAERN CCc1c[nH]c(=O)c2c(N)cccc12 258370458 573460848 /nfs/dbraw/zinc/46/08/48/573460848.db2.gz XCDOZUQZVQESIU-UHFFFAOYSA-N 0 0 188.230 2.085 10 0 AEAERN COc1cc(CF)nc(C(F)F)c1 238402171 573460866 /nfs/dbraw/zinc/46/08/66/573460866.db2.gz BUZVPNURZHVTFE-UHFFFAOYSA-N 0 0 191.152 2.497 10 0 AEAERN CSc1ccc([C@@H](C)CO)cc1O 258031844 573460884 /nfs/dbraw/zinc/46/08/84/573460884.db2.gz FJTYDACRYTXWFC-ZETCQYMHSA-N 0 0 198.287 2.210 10 0 AEAERN CC(=O)[C@H]1CCc2cccc(F)c2O1 259459681 573460886 /nfs/dbraw/zinc/46/08/86/573460886.db2.gz GJHTYTGPUKMYIF-SNVBAGLBSA-N 0 0 194.205 2.108 10 0 AEAERN COc1ccc2c(c1)CN=C(Cl)N2 238403846 573460894 /nfs/dbraw/zinc/46/08/94/573460894.db2.gz HLDLOOHUXSKQBN-UHFFFAOYSA-N 0 0 196.637 2.025 10 0 AEAERN CCn1cc(CCC(=O)C(C)C)cn1 50540471 573461063 /nfs/dbraw/zinc/46/10/63/573461063.db2.gz YZVWTZXWYWATRH-UHFFFAOYSA-N 0 0 194.278 2.061 10 0 AEAERN Fc1c[nH]c2c(F)cccc12 107271210 573461067 /nfs/dbraw/zinc/46/10/67/573461067.db2.gz CBLOZQIZUFWNEO-UHFFFAOYSA-N 0 0 153.131 2.446 10 0 AEAERN Cc1ccc2ncc(N)c(C)c2c1 257814536 573461100 /nfs/dbraw/zinc/46/11/00/573461100.db2.gz CKYUUQUBYHFDKA-UHFFFAOYSA-N 0 0 172.231 2.434 10 0 AEAERN CNC(=S)c1ccc(Cl)s1 259100255 573461108 /nfs/dbraw/zinc/46/11/08/573461108.db2.gz HHRWDQWWFLZXTG-UHFFFAOYSA-N 0 0 191.708 2.296 10 0 AEAERN Cc1ccc([C@@]2(C)NC[C@@H](C)CO2)o1 258385729 573461170 /nfs/dbraw/zinc/46/11/70/573461170.db2.gz HMOUJGXJQQZIFX-KCJUWKMLSA-N 0 0 195.262 2.017 10 0 AEAERN CSc1cccc(C2(CO)CC2)c1 257814621 573461214 /nfs/dbraw/zinc/46/12/14/573461214.db2.gz ASVNIKZLJCAMPQ-UHFFFAOYSA-N 0 0 194.299 2.432 10 0 AEAERN NOCc1coc2c(Cl)cccc12 258368105 573461264 /nfs/dbraw/zinc/46/12/64/573461264.db2.gz ZTKCTYASUKNBOM-UHFFFAOYSA-N 0 0 197.621 2.477 10 0 AEAERN Cc1ccc([C@@]2(C)NC[C@H](C)CO2)o1 258385736 573461276 /nfs/dbraw/zinc/46/12/76/573461276.db2.gz HMOUJGXJQQZIFX-KWQFWETISA-N 0 0 195.262 2.017 10 0 AEAERN CC(C)[C@H](NN)C(C)(C)C(F)(F)F 690191124 573461285 /nfs/dbraw/zinc/46/12/85/573461285.db2.gz SSMMQUFNRBAQKB-LURJTMIESA-N 0 0 198.232 2.063 10 0 AEAERN COC[C@H]1CCCc2c(N)cccc21 257815095 573461289 /nfs/dbraw/zinc/46/12/89/573461289.db2.gz CTRNTTLAWSHUQS-SECBINFHSA-N 0 0 191.274 2.335 10 0 AEAERN COC(=O)[C@](C)(F)c1cccc(C)c1 257814705 573461313 /nfs/dbraw/zinc/46/13/13/573461313.db2.gz COJUICZTBIHXIW-LLVKDONJSA-N 0 0 196.221 2.353 10 0 AEAERN COc1ccc(N)cc1C(C)(F)F 107269578 573461353 /nfs/dbraw/zinc/46/13/53/573461353.db2.gz RQBBAQVLQCHOTK-UHFFFAOYSA-N 0 0 187.189 2.389 10 0 AEAERN C[C@H]1CCCn2c1nnc2C(C)(C)C 258377911 573461369 /nfs/dbraw/zinc/46/13/69/573461369.db2.gz MNUKVSGHYCGKNO-QMMMGPOBSA-N 0 0 193.294 2.473 10 0 AEAERN COC[C@@H]1CCCc2c(N)cccc21 257815096 573461387 /nfs/dbraw/zinc/46/13/87/573461387.db2.gz CTRNTTLAWSHUQS-VIFPVBQESA-N 0 0 191.274 2.335 10 0 AEAERN COC(=O)c1ccc2c(c1)CC(C)=N2 238404981 573461399 /nfs/dbraw/zinc/46/13/99/573461399.db2.gz GCJUEHTVEQFYDQ-UHFFFAOYSA-N 0 0 189.214 2.122 10 0 AEAERN Cc1ccc2c(c1)C[C@@H](C)[C@@H]2O 238404678 573461402 /nfs/dbraw/zinc/46/14/02/573461402.db2.gz JCTDWHSYEHQPHK-KCJUWKMLSA-N 0 0 162.232 2.221 10 0 AEAERN C[C@@H]1CC(F)(F)c2ncnc(F)c21 107268978 573461404 /nfs/dbraw/zinc/46/14/04/573461404.db2.gz JPNHAIXVEJDMHH-SCSAIBSYSA-N 0 0 188.152 2.215 10 0 AEAERN C[C@@H]1CCC[C@@H](C)C1NC(=O)N(C)C 238405563 573461416 /nfs/dbraw/zinc/46/14/16/573461416.db2.gz SYPXPANKKPSZPP-RKDXNWHRSA-N 0 0 198.310 2.082 10 0 AEAERN CCCc1noc([C@H](C)NC(C)C)n1 308592035 573461449 /nfs/dbraw/zinc/46/14/49/573461449.db2.gz KTFVESYSNORYHP-QMMMGPOBSA-N 0 0 197.282 2.081 10 0 AEAERN CC(C)(C)[C@@H]1CCNCC1(F)F 107273765 573467673 /nfs/dbraw/zinc/46/76/73/573467673.db2.gz KCPTWRAHQQJXFK-ZETCQYMHSA-N 0 0 177.238 2.277 10 0 AEAERN CC(C)Cc1ncc(Cl)n1C 258664885 573467689 /nfs/dbraw/zinc/46/76/89/573467689.db2.gz XLQCUJLKGXKPQU-UHFFFAOYSA-N 0 0 172.659 2.272 10 0 AEAERN COC[C@@]1(O)C[C@@H](C)CC(C)(C)C1 86518201 573467711 /nfs/dbraw/zinc/46/77/11/573467711.db2.gz SFBPFECHPPDIFT-GXSJLCMTSA-N 0 0 186.295 2.210 10 0 AEAERN CC(C)c1nn(C)c2cc(N)ccc12 257815608 573467716 /nfs/dbraw/zinc/46/77/16/573467716.db2.gz DAWCVLDZXIUNNQ-UHFFFAOYSA-N 0 0 189.262 2.279 10 0 AEAERN CC(C)OC[C@]1(O)CCCC[C@@H]1C 86518252 573467746 /nfs/dbraw/zinc/46/77/46/573467746.db2.gz DFVOUJZJHCEXQM-WDEREUQCSA-N 0 0 186.295 2.353 10 0 AEAERN CC(C)OC[C@@]1(O)CCC[C@H](C)C1 86518146 573467774 /nfs/dbraw/zinc/46/77/74/573467774.db2.gz SICKGNAPYSZAMN-WDEREUQCSA-N 0 0 186.295 2.353 10 0 AEAERN COC[C@@H](O)c1ccc(Cl)s1 86519566 573467781 /nfs/dbraw/zinc/46/77/81/573467781.db2.gz YIZGLCNBGVEFNZ-RXMQYKEDSA-N 0 0 192.667 2.081 10 0 AEAERN FC1(F)CNCC[C@H]1C1CCC1 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Cc1c[nH]c2ccc([C@H](C)O)c(O)c12 258050397 573505447 /nfs/dbraw/zinc/50/54/47/573505447.db2.gz KODJKXSJZWPLOL-ZETCQYMHSA-N 0 0 191.230 2.235 10 0 AEAERN Oc1c(F)cccc1C1CCOCC1 259481437 573505505 /nfs/dbraw/zinc/50/55/05/573505505.db2.gz ORBWSUNLBKZYTH-UHFFFAOYSA-N 0 0 196.221 2.425 10 0 AEAERN COCc1cc([C@H](C)O)ccc1F 258050467 573505517 /nfs/dbraw/zinc/50/55/17/573505517.db2.gz KPLOEZSKTBPCSN-ZETCQYMHSA-N 0 0 184.210 2.025 10 0 AEAERN CCC(=O)[C@H](O)c1cccc(C)c1 258716089 573507006 /nfs/dbraw/zinc/50/70/06/573507006.db2.gz IEUFLTOOBWJXHP-LLVKDONJSA-N 0 0 178.231 2.008 10 0 AEAERN CCc1ccc(C[C@H](C)O)cc1C 258066881 573606676 /nfs/dbraw/zinc/60/66/76/573606676.db2.gz UAHBIHWQUJEHPN-JTQLQIEISA-N 0 0 178.275 2.481 10 0 AEAERN Cc1cc(C=O)c2onc(C)c2c1 259527903 573606748 /nfs/dbraw/zinc/60/67/48/573606748.db2.gz RIHDIRBPASSPEK-UHFFFAOYSA-N 0 0 175.187 2.257 10 0 AEAERN O=C1CCc2[nH]c3c(F)cccc3c21 83722971 573606752 /nfs/dbraw/zinc/60/67/52/573606752.db2.gz YEROQSGEUOQVHD-UHFFFAOYSA-N 0 0 189.189 2.436 10 0 AEAERN COc1cccc2cc([C@@H](C)O)[nH]c12 83724494 573606799 /nfs/dbraw/zinc/60/67/99/573606799.db2.gz CTPLTXKDMVPDLM-SSDOTTSWSA-N 0 0 191.230 2.230 10 0 AEAERN O[C@H]1COC[C@@H]1CCC1=CCCCC1 687980144 573506584 /nfs/dbraw/zinc/50/65/84/573506584.db2.gz IKOXHZIGBAWEST-RYUDHWBXSA-N 0 0 196.290 2.274 10 0 AEAERN C[NH2+][C@]1(C(=O)[O-])CCCC(C)(C)CC1 83436192 573506593 /nfs/dbraw/zinc/50/65/93/573506593.db2.gz WUFOUELWXWSSOI-LLVKDONJSA-N 0 0 199.294 2.020 10 0 AEAERN C=C=C(C)C/C=C/C[C@H](C)O 238419675 573506617 /nfs/dbraw/zinc/50/66/17/573506617.db2.gz KJRPZLCUJUAVKF-PORFMDCZSA-N 0 0 152.237 2.435 10 0 AEAERN CCC(=O)[C@@H](O)c1cccc(C)c1 258716091 573506635 /nfs/dbraw/zinc/50/66/35/573506635.db2.gz IEUFLTOOBWJXHP-NSHDSACASA-N 0 0 178.231 2.008 10 0 AEAERN CSc1ccc(OC(C)=O)c(O)c1 238419907 573506665 /nfs/dbraw/zinc/50/66/65/573506665.db2.gz FGPJHHZKYSQVPJ-UHFFFAOYSA-N 0 0 198.243 2.039 10 0 AEAERN CC(C)CC[C@H](NN)[C@H](C)C1CC1 130276149 573506666 /nfs/dbraw/zinc/50/66/66/573506666.db2.gz PPMIHOBZUBDYDX-KOLCDFICSA-N 0 0 184.327 2.301 10 0 AEAERN FCc1ccc2oncc2c1 211862119 573506716 /nfs/dbraw/zinc/50/67/16/573506716.db2.gz DPKOEEHXNLASGB-UHFFFAOYSA-N 0 0 151.140 2.297 10 0 AEAERN Nc1ccccc1Nc1ccc[nH]1 258717149 573506777 /nfs/dbraw/zinc/50/67/77/573506777.db2.gz FXQFDDSGTXWYER-UHFFFAOYSA-N 0 0 173.219 2.341 10 0 AEAERN NOCc1cc(F)c(F)cc1Cl 258050255 573506779 /nfs/dbraw/zinc/50/67/79/573506779.db2.gz KLSYPTRPSRMWGT-UHFFFAOYSA-N 0 0 193.580 2.009 10 0 AEAERN CCC[C@H]1CCC[C@]([NH3+])(C(=O)[O-])CC1 83437847 573506868 /nfs/dbraw/zinc/50/68/68/573506868.db2.gz QNWBHCVDBWXTFO-GXSJLCMTSA-N 0 0 199.294 2.149 10 0 AEAERN O[C@@H]1COC[C@@H]1CCC1=CCCCC1 687980143 573506917 /nfs/dbraw/zinc/50/69/17/573506917.db2.gz IKOXHZIGBAWEST-NWDGAFQWSA-N 0 0 196.290 2.274 10 0 AEAERN Cc1oc(=O)[nH]c1C1CCCC1 258501101 573506932 /nfs/dbraw/zinc/50/69/32/573506932.db2.gz KXFOZYDUFCBNCK-UHFFFAOYSA-N 0 0 167.208 2.346 10 0 AEAERN CCC[C@@H]1CCC[C@@H](NN)CC1 83437844 573506988 /nfs/dbraw/zinc/50/69/88/573506988.db2.gz IHASXIVJXNMECH-NXEZZACHSA-N 0 0 170.300 2.199 10 0 AEAERN COCn1ccc2cc(OC)ccc21 75234823 573508448 /nfs/dbraw/zinc/50/84/48/573508448.db2.gz AXHIOHSUQCNGAX-UHFFFAOYSA-N 0 0 191.230 2.254 10 0 AEAERN CC(C)CC[C@H]1OC(=O)C[C@H]1C 6030661 573508499 /nfs/dbraw/zinc/50/84/99/573508499.db2.gz IENYEYYNDKAHNV-RKDXNWHRSA-N 0 0 170.252 2.374 10 0 AEAERN CC(C)[C@H]1CCC[C@]2(CC1)CC(=O)N2 83438449 573508558 /nfs/dbraw/zinc/50/85/58/573508558.db2.gz HMOCYKGJNGOEIX-JQWIXIFHSA-N 0 0 195.306 2.481 10 0 AEAERN CCCC[C@@H]1C[C@@H]2[C@H](OC)C[C@H]2[C@@H]1O 308602504 573508563 /nfs/dbraw/zinc/50/85/63/573508563.db2.gz VIWJWMYWCCNERZ-IYKVGLELSA-N 0 0 198.306 2.209 10 0 AEAERN CC(C)[C@@H]1CCC[C@@]2(CC1)CC(=O)N2 83438446 573508613 /nfs/dbraw/zinc/50/86/13/573508613.db2.gz HMOCYKGJNGOEIX-ZYHUDNBSSA-N 0 0 195.306 2.481 10 0 AEAERN C[C@@H](O)c1ccc(O)c2c1CCCC2 258050247 573507921 /nfs/dbraw/zinc/50/79/21/573507921.db2.gz KLRBYGMYTNEVLN-MRVPVSSYSA-N 0 0 192.258 2.324 10 0 AEAERN CCCCN(C)C(=O)[C@@H]1CC1(C)C 308400275 573507991 /nfs/dbraw/zinc/50/79/91/573507991.db2.gz GRJWIWDWYJGJMZ-VIFPVBQESA-N 0 0 183.295 2.291 10 0 AEAERN CC(C)c1cccc(CCO)c1O 258050525 573508071 /nfs/dbraw/zinc/50/80/71/573508071.db2.gz RHTSGAIYWQARLQ-UHFFFAOYSA-N 0 0 180.247 2.050 10 0 AEAERN Fc1ccc(OCc2c[nH]cn2)cc1 258049026 573508079 /nfs/dbraw/zinc/50/80/79/573508079.db2.gz FPNBWHHRPTZWIY-UHFFFAOYSA-N 0 0 192.193 2.128 10 0 AEAERN Cc1ccc2c(ccn2CCCO)c1 75233556 573508177 /nfs/dbraw/zinc/50/81/77/573508177.db2.gz GOOOQXVQPHHFKH-UHFFFAOYSA-N 0 0 189.258 2.332 10 0 AEAERN CCCCOCC(C)(C)C(=O)OC 86593204 573508263 /nfs/dbraw/zinc/50/82/63/573508263.db2.gz FJVNXIILGHIPTQ-UHFFFAOYSA-N 0 0 188.267 2.002 10 0 AEAERN O=C1CCC[C@H](OCc2ccco2)C1 86603745 573514751 /nfs/dbraw/zinc/51/47/51/573514751.db2.gz HMVXHOAYDSPHOE-JTQLQIEISA-N 0 0 194.230 2.308 10 0 AEAERN COc1c(N)c(C)nc2ccccc12 238422591 573514792 /nfs/dbraw/zinc/51/47/92/573514792.db2.gz JBSPFOAFWKVOTI-UHFFFAOYSA-N 0 0 188.230 2.134 10 0 AEAERN CCC[C@@H](O)Cc1ccc(C)o1 238256334 573514793 /nfs/dbraw/zinc/51/47/93/573514793.db2.gz IEUNWBWRWCRUAV-SECBINFHSA-N 0 0 168.236 2.292 10 0 AEAERN CC[C@H](C)C(=O)[C@H]1CCCC(=O)C1 86603934 573514811 /nfs/dbraw/zinc/51/48/11/573514811.db2.gz KGCYOXWNMDDADS-IUCAKERBSA-N 0 0 182.263 2.361 10 0 AEAERN COc1nccc(C(F)F)c1C 238423181 573514845 /nfs/dbraw/zinc/51/48/45/573514845.db2.gz QXVROMLHSVDXGH-UHFFFAOYSA-N 0 0 173.162 2.336 10 0 AEAERN Nc1cc(Cc2ccsc2)ccn1 83453281 573514861 /nfs/dbraw/zinc/51/48/61/573514861.db2.gz CBZMHLIYWQEGLE-UHFFFAOYSA-N 0 0 190.271 2.316 10 0 AEAERN CCC(=O)OCCCC(C)C 78468708 573514258 /nfs/dbraw/zinc/51/42/58/573514258.db2.gz FMSKUFHLEKFBAI-UHFFFAOYSA-N 0 0 158.241 2.376 10 0 AEAERN CCC(C)(C)O[C@H]1CCC[C@@H](O)C1 86603582 573514279 /nfs/dbraw/zinc/51/42/79/573514279.db2.gz BSHPWTYPIDFENS-ZJUUUORDSA-N 0 0 186.295 2.495 10 0 AEAERN C[C@@H]1Cc2ccc(CON)cc2S1 258050920 573514298 /nfs/dbraw/zinc/51/42/98/573514298.db2.gz LESKMPKGPDKQQG-SSDOTTSWSA-N 0 0 195.287 2.114 10 0 AEAERN C[C@H]1Nc2ccccc2[C@@H](C)N1 238422112 573514314 /nfs/dbraw/zinc/51/43/14/573514314.db2.gz PCYMSLLLUWJOIT-HTQZYQBOSA-N 0 0 162.236 2.109 10 0 AEAERN C/C=C/CO[C@@H]1CCCC(=O)C1 86603824 573514372 /nfs/dbraw/zinc/51/43/72/573514372.db2.gz KZWYKDJREPGDFO-VMZHVLLKSA-N 0 0 168.236 2.091 10 0 AEAERN CC1=CCC(=O)C[C@H](C)C1 238422713 573514377 /nfs/dbraw/zinc/51/43/77/573514377.db2.gz KVLIIJHONHOBJU-MRVPVSSYSA-N 0 0 138.210 2.322 10 0 AEAERN CCC(C)(C)O[C@@H]1CCC[C@@H](O)C1 86603581 573514388 /nfs/dbraw/zinc/51/43/88/573514388.db2.gz BSHPWTYPIDFENS-NXEZZACHSA-N 0 0 186.295 2.495 10 0 AEAERN O=C(C=C1CCCC1)OCC1CC1 308396555 573514429 /nfs/dbraw/zinc/51/44/29/573514429.db2.gz DXPVTKCXORUTKK-UHFFFAOYSA-N 0 0 180.247 2.440 10 0 AEAERN CC(C)=C/C=C/C[C@@H](C)O 238422490 573514465 /nfs/dbraw/zinc/51/44/65/573514465.db2.gz YIAHIEBHJXNKAN-XNPJLODASA-N 0 0 140.226 2.280 10 0 AEAERN CC(C)C[C@H](O)Cc1ccoc1 130385995 573514489 /nfs/dbraw/zinc/51/44/89/573514489.db2.gz IYMDIXNFBXPGPS-JTQLQIEISA-N 0 0 168.236 2.229 10 0 AEAERN O[C@@H]1CCC[C@H](OCC2CCCC2)C1 86603735 573514497 /nfs/dbraw/zinc/51/44/97/573514497.db2.gz GDRRUQGWTQRVKF-NEPJUHHUSA-N 0 0 198.306 2.497 10 0 AEAERN CCCCCn1nccc1C(C)=O 308396837 573514604 /nfs/dbraw/zinc/51/46/04/573514604.db2.gz DRMNKCVPCAQQMZ-UHFFFAOYSA-N 0 0 180.251 2.276 10 0 AEAERN CC(C)CO[C@H]1CCCC(=O)C1 86603257 573514621 /nfs/dbraw/zinc/51/46/21/573514621.db2.gz GNEYNWUAKQHJSZ-JTQLQIEISA-N 0 0 170.252 2.171 10 0 AEAERN C[C@@H](O)C/C=C1/CC1(C)C 238422688 573514635 /nfs/dbraw/zinc/51/46/35/573514635.db2.gz XZDLTHDSJPCPRC-BESBCXERSA-N 0 0 140.226 2.114 10 0 AEAERN COC(=O)CCC[Si](C)(C)C 214908366 573514650 /nfs/dbraw/zinc/51/46/50/573514650.db2.gz FOKJGIUMUAKEAQ-UHFFFAOYSA-N 0 0 174.316 2.278 10 0 AEAERN CC(C)=C(/C=C/C(C)(C)O)[C@@H](C)O 238422121 573514665 /nfs/dbraw/zinc/51/46/65/573514665.db2.gz WPJVJIDAQBVFGD-XCODYQFDSA-N 0 0 184.279 2.031 10 0 AEAERN C[C@H](O)[C@H]1C(=O)CC(C)(C)CC1(C)C 238422464 573514676 /nfs/dbraw/zinc/51/46/76/573514676.db2.gz QJRPJAMESMOWER-WPRPVWTQSA-N 0 0 198.306 2.399 10 0 AEAERN CC(C)(C)O[C@@H]1CCC[C@@H](O)C1 86603563 573514677 /nfs/dbraw/zinc/51/46/77/573514677.db2.gz UPDGCERMEAYNQI-RKDXNWHRSA-N 0 0 172.268 2.105 10 0 AEAERN CCCC1([C@H](CO)C(C)C)COC1 258723418 573514682 /nfs/dbraw/zinc/51/46/82/573514682.db2.gz OTEFPBWKDYFRDX-SNVBAGLBSA-N 0 0 186.295 2.068 10 0 AEAERN C=C=C[C@@H](O)[C@@H](C)c1ccccc1 238422736 573514733 /nfs/dbraw/zinc/51/47/33/573514733.db2.gz LGNJUDLJACDESL-CMPLNLGQSA-N 0 0 174.243 2.492 10 0 AEAERN COCc1coc2c(N)cccc12 258046866 573522066 /nfs/dbraw/zinc/52/20/66/573522066.db2.gz NZIBLSXWZOPOMX-UHFFFAOYSA-N 0 0 177.203 2.161 10 0 AEAERN O=C1CC[C@H](Oc2ccccc2)C1 86619428 573522128 /nfs/dbraw/zinc/52/21/28/573522128.db2.gz DUQJAKPSJDKPSO-NSHDSACASA-N 0 0 176.215 2.187 10 0 AEAERN C[C@@](CO)(COC1CCCC1)C1CC1 308613963 573522142 /nfs/dbraw/zinc/52/21/42/573522142.db2.gz RHOYNBFLVUFEKJ-GFCCVEGCSA-N 0 0 198.306 2.354 10 0 AEAERN O=c1[nH]nc(C2CCCC2)cc1Cl 259489501 573522184 /nfs/dbraw/zinc/52/21/84/573522184.db2.gz PVTPRHSDAOQBER-UHFFFAOYSA-N 0 0 198.653 2.493 10 0 AEAERN CSc1ccccc1[C@@H](F)CO 257823585 573521416 /nfs/dbraw/zinc/52/14/16/573521416.db2.gz FOWZHQQJFCUQPW-QMMMGPOBSA-N 0 0 186.251 2.411 10 0 AEAERN Cc1ccsc1CNC(=O)S 258734744 573521438 /nfs/dbraw/zinc/52/14/38/573521438.db2.gz RNDJWPFTGPHCIJ-UHFFFAOYSA-N 0 0 187.289 2.196 10 0 AEAERN C[C@@H]1Nc2ccccc2C(=O)C12CC2 238424756 573521440 /nfs/dbraw/zinc/52/14/40/573521440.db2.gz KFFZBNSFZFQKGC-QMMMGPOBSA-N 0 0 187.242 2.464 10 0 AEAERN CC(C)c1nc(C=O)[nH]c1C1CC1 257827053 573521678 /nfs/dbraw/zinc/52/16/78/573521678.db2.gz HUDUBIONLSYRMH-UHFFFAOYSA-N 0 0 178.235 2.223 10 0 AEAERN COC1(c2cccc([C@@H](C)O)c2)CC1 259485497 573521739 /nfs/dbraw/zinc/52/17/39/573521739.db2.gz PKAIKYOYUXPXAD-SECBINFHSA-N 0 0 192.258 2.375 10 0 AEAERN Cc1ccc([C@H](F)[C@@H](C)O)cc1 258501305 573521740 /nfs/dbraw/zinc/52/17/40/573521740.db2.gz KYHUTAFWEDDYEA-PSASIEDQSA-N 0 0 168.211 2.386 10 0 AEAERN Cc1ccc([C@H](F)[C@H](C)O)cc1 258501327 573521782 /nfs/dbraw/zinc/52/17/82/573521782.db2.gz KYHUTAFWEDDYEA-WCBMZHEXSA-N 0 0 168.211 2.386 10 0 AEAERN CCN1c2cccc(C=O)c2C[C@@H]1C 258057269 573521803 /nfs/dbraw/zinc/52/18/03/573521803.db2.gz LODCKRJCRDMXOC-VIFPVBQESA-N 0 0 189.258 2.270 10 0 AEAERN OCC1(CNc2ccccc2)CCC1 258736368 573521805 /nfs/dbraw/zinc/52/18/05/573521805.db2.gz VTOPKZYVYQALLG-UHFFFAOYSA-N 0 0 191.274 2.261 10 0 AEAERN C=COCC(C)(C)COC=C 33607715 573521850 /nfs/dbraw/zinc/52/18/50/573521850.db2.gz AITKNDQVEUUYHE-UHFFFAOYSA-N 0 0 156.225 2.333 10 0 AEAERN CC(=O)[C@H]1CNc2ccc(Cl)cc21 258046820 573521933 /nfs/dbraw/zinc/52/19/33/573521933.db2.gz KYYXCFWEPRAKTG-SECBINFHSA-N 0 0 195.649 2.438 10 0 AEAERN CC[C@]1(c2ccccc2O)C[C@H]1CO 257823638 573521957 /nfs/dbraw/zinc/52/19/57/573521957.db2.gz GOJAOCBJMBHVQB-CABZTGNLSA-N 0 0 192.258 2.052 10 0 AEAERN CC(F)(F)C[C@H]1CCSC[C@H]1O 258056918 573521959 /nfs/dbraw/zinc/52/19/59/573521959.db2.gz KKTQPYAAJCYCFZ-RNFRBKRXSA-N 0 0 196.262 2.146 10 0 AEAERN O=C1CC[C@H](Oc2ccc(F)cc2)C1 86619426 573522024 /nfs/dbraw/zinc/52/20/24/573522024.db2.gz VJPBCMOYNYRFNB-NSHDSACASA-N 0 0 194.205 2.326 10 0 AEAERN Cc1ccc(O[C@@H]2CCC(=O)C2)cc1 86619307 573522038 /nfs/dbraw/zinc/52/20/38/573522038.db2.gz BVGLBSPECSRBLE-GFCCVEGCSA-N 0 0 190.242 2.495 10 0 AEAERN CCCC[C@@H](O)Cc1ccoc1 130393490 573522410 /nfs/dbraw/zinc/52/24/10/573522410.db2.gz KUWWKBLGCXEGHN-SNVBAGLBSA-N 0 0 168.236 2.373 10 0 AEAERN O=CN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 222698302 573522433 /nfs/dbraw/zinc/52/24/33/573522433.db2.gz NSLKHKPIVCPCSQ-HBNTYKKESA-N 0 0 181.279 2.091 10 0 AEAERN C[C@@H]1Nc2ccccc2[C@@]1(C)CCO 238425687 573522500 /nfs/dbraw/zinc/52/25/00/573522500.db2.gz OEYXHMFTFUWRCF-CABZTGNLSA-N 0 0 191.274 2.141 10 0 AEAERN CC(C)c1nccn1[C@@H]1CCC(=O)C1 86618777 573523039 /nfs/dbraw/zinc/52/30/39/573523039.db2.gz WQZXIJBGPNWPQV-SECBINFHSA-N 0 0 192.262 2.301 10 0 AEAERN CCC(C)(C)CNC(=O)S 258745104 573522615 /nfs/dbraw/zinc/52/26/15/573522615.db2.gz SWQKWTMWQFTSSM-UHFFFAOYSA-N 0 0 161.270 2.062 10 0 AEAERN COc1cccc(CC(C)C)c1N 257826971 573522650 /nfs/dbraw/zinc/52/26/50/573522650.db2.gz HPYAGIZIHLILCW-UHFFFAOYSA-N 0 0 179.263 2.476 10 0 AEAERN Cc1ccc(N[C@H](CO)C(C)C)o1 258750587 573522680 /nfs/dbraw/zinc/52/26/80/573522680.db2.gz GIGTUOVHFOVUNC-SECBINFHSA-N 0 0 183.251 2.017 10 0 AEAERN O=CN[C@@H]1CC[C@@H]2CCCC[C@H]2C1 222698362 573522703 /nfs/dbraw/zinc/52/27/03/573522703.db2.gz NSLKHKPIVCPCSQ-GARJFASQSA-N 0 0 181.279 2.091 10 0 AEAERN C[C@@H](O)C1=Cc2ccccc2CC1 238425573 573522713 /nfs/dbraw/zinc/52/27/13/573522713.db2.gz NAJHDMJJXQBEPY-SECBINFHSA-N 0 0 174.243 2.397 10 0 AEAERN Cc1nc(-c2ccc(C=O)cc2)co1 257823416 573522743 /nfs/dbraw/zinc/52/27/43/573522743.db2.gz GMXJSMHJEVQZNJ-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN CCC[C@H](C)[C@@H](C)CCO 33609246 573522748 /nfs/dbraw/zinc/52/27/48/573522748.db2.gz TZWSLANDWSEXRD-IUCAKERBSA-N 0 0 144.258 2.441 10 0 AEAERN C[C@@H]1Nc2cccnc2C1(C)C 238426009 573522820 /nfs/dbraw/zinc/52/28/20/573522820.db2.gz PCLSDZXHTQCLSM-ZETCQYMHSA-N 0 0 162.236 2.173 10 0 AEAERN COCC(C)(C)[C@H](O)c1ccccc1 308613394 573522872 /nfs/dbraw/zinc/52/28/72/573522872.db2.gz ZHHYDSVDNWUDAF-LLVKDONJSA-N 0 0 194.274 2.393 10 0 AEAERN O=C1CC[C@H](Oc2cccc(F)c2)C1 86619432 573522878 /nfs/dbraw/zinc/52/28/78/573522878.db2.gz FQTHEZAYVGAASW-NSHDSACASA-N 0 0 194.205 2.326 10 0 AEAERN CC(C)c1nccn1[C@H]1CCC(=O)C1 86618778 573522906 /nfs/dbraw/zinc/52/29/06/573522906.db2.gz WQZXIJBGPNWPQV-VIFPVBQESA-N 0 0 192.262 2.301 10 0 AEAERN CC[C@H](CO)CNc1ccc(C)cc1 258746387 573522986 /nfs/dbraw/zinc/52/29/86/573522986.db2.gz WRSTVGOSUWNOGX-NSHDSACASA-N 0 0 193.290 2.425 10 0 AEAERN COCc1ccc2nc(C)oc2c1 259487201 573523021 /nfs/dbraw/zinc/52/30/21/573523021.db2.gz SSCRKTWELLMBBB-UHFFFAOYSA-N 0 0 177.203 2.283 10 0 AEAERN O[C@@H]1CC[C@H](OCC2CCCCC2)C1 86621616 573524343 /nfs/dbraw/zinc/52/43/43/573524343.db2.gz GLHBCJYMFSNICH-NEPJUHHUSA-N 0 0 198.306 2.497 10 0 AEAERN CC(C)(CO)c1cccc2ncoc12 258067474 573609760 /nfs/dbraw/zinc/60/97/60/573609760.db2.gz LZKMSLQPTBQHAY-UHFFFAOYSA-N 0 0 191.230 2.098 10 0 AEAERN COC1(c2cccc([C@H](C)O)c2)CC1 259485500 573523636 /nfs/dbraw/zinc/52/36/36/573523636.db2.gz PKAIKYOYUXPXAD-VIFPVBQESA-N 0 0 192.258 2.375 10 0 AEAERN COCCCC[C@@H](O)c1ccoc1C 308612642 573523639 /nfs/dbraw/zinc/52/36/39/573523639.db2.gz YUKSAGKUNFFBPD-LLVKDONJSA-N 0 0 198.262 2.438 10 0 AEAERN CC(F)(F)C[C@@H]1CCSC[C@H]1O 258056917 573523655 /nfs/dbraw/zinc/52/36/55/573523655.db2.gz KKTQPYAAJCYCFZ-NKWVEPMBSA-N 0 0 196.262 2.146 10 0 AEAERN CCCC[C@@H](O)Cc1ccco1 130393931 573523692 /nfs/dbraw/zinc/52/36/92/573523692.db2.gz XFERLGMIEUJYGA-SECBINFHSA-N 0 0 168.236 2.373 10 0 AEAERN CC(=O)Cc1ccc(F)c(N(C)C)c1 259489546 573523723 /nfs/dbraw/zinc/52/37/23/573523723.db2.gz PWHDLHJDBOXPPG-UHFFFAOYSA-N 0 0 195.237 2.023 10 0 AEAERN Cc1ccc(O[C@@H]2CC[C@H](O)C2)cc1 86621489 573523794 /nfs/dbraw/zinc/52/37/94/573523794.db2.gz SBNDIPZDYJZMFD-CMPLNLGQSA-N 0 0 192.258 2.287 10 0 AEAERN 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/nfs/dbraw/zinc/52/73/32/573527332.db2.gz UXNOPCSJEAVBPC-NSHDSACASA-N 0 0 182.263 2.315 10 0 AEAERN C[C@@H](O[C@@H]1CCC(=O)C1)C(F)(F)F 86620015 573526496 /nfs/dbraw/zinc/52/64/96/573526496.db2.gz XPCMASOSDFNYHG-IYSWYEEDSA-N 0 0 196.168 2.075 10 0 AEAERN CCSCC(=O)CC1CC1 83484508 573526499 /nfs/dbraw/zinc/52/64/99/573526499.db2.gz GNGQQPRDKQDJLS-UHFFFAOYSA-N 0 0 158.266 2.109 10 0 AEAERN CCSCC(=O)CC(C)C 83484509 573526546 /nfs/dbraw/zinc/52/65/46/573526546.db2.gz BLMCDCUTFYRDBS-UHFFFAOYSA-N 0 0 160.282 2.355 10 0 AEAERN CCSC[C@@H](O)c1ccoc1 83484960 573526588 /nfs/dbraw/zinc/52/65/88/573526588.db2.gz HYCYZOBSVZQLIS-MRVPVSSYSA-N 0 0 172.249 2.066 10 0 AEAERN O[C@H]1CC[C@@H](OCC2CCCCC2)C1 86621613 573526603 /nfs/dbraw/zinc/52/66/03/573526603.db2.gz GLHBCJYMFSNICH-NWDGAFQWSA-N 0 0 198.306 2.497 10 0 AEAERN CCC[C@@H](O)CC[C@H](C)C(C)(C)O 238255525 573526663 /nfs/dbraw/zinc/52/66/63/573526663.db2.gz BWTHIVRKDVFWOW-VHSXEESVSA-N 0 0 188.311 2.335 10 0 AEAERN CCn1nc(C(C)=O)cc1C(C)(C)C 257827088 573526686 /nfs/dbraw/zinc/52/66/86/573526686.db2.gz HTYOYQYCZKXZNQ-UHFFFAOYSA-N 0 0 194.278 2.403 10 0 AEAERN O=C1CC[C@@H](OCc2cccs2)C1 86619874 573526705 /nfs/dbraw/zinc/52/67/05/573526705.db2.gz AGGGTZVFJRFQTQ-SECBINFHSA-N 0 0 196.271 2.386 10 0 AEAERN CCC(C)(C)O[C@@H]1CC[C@H](O)C1 86621549 573526736 /nfs/dbraw/zinc/52/67/36/573526736.db2.gz WTWMINOILZNWES-DTWKUNHWSA-N 0 0 172.268 2.105 10 0 AEAERN C[C@@H]1Nc2ccccc2[C@]1(C)CCO 238425818 573526750 /nfs/dbraw/zinc/52/67/50/573526750.db2.gz OEYXHMFTFUWRCF-JOYOIKCWSA-N 0 0 191.274 2.141 10 0 AEAERN C[C@@H]1CCC[C@H](O[C@@H]2CC[C@H](O)C2)C1 86621557 573526784 /nfs/dbraw/zinc/52/67/84/573526784.db2.gz IVOLVFQLQQVHDS-NOOOWODRSA-N 0 0 198.306 2.495 10 0 AEAERN CC1=C(C)S[C@@H](C)[C@H](O)C1 238425685 573526801 /nfs/dbraw/zinc/52/68/01/573526801.db2.gz PZLJBEYICKZWGP-JGVFFNPUSA-N 0 0 158.266 2.167 10 0 AEAERN CC(F)(F)C[C@H]1CCSC[C@@H]1O 258056919 573526817 /nfs/dbraw/zinc/52/68/17/573526817.db2.gz KKTQPYAAJCYCFZ-RQJHMYQMSA-N 0 0 196.262 2.146 10 0 AEAERN NOCc1csc2c(F)cccc12 258057441 573526823 /nfs/dbraw/zinc/52/68/23/573526823.db2.gz FZSCDYGBMYKMQT-UHFFFAOYSA-N 0 0 197.234 2.431 10 0 AEAERN COC(=O)N(C)Cc1sccc1C 258749352 573526832 /nfs/dbraw/zinc/52/68/32/573526832.db2.gz KLCZMDJXKKTSGH-UHFFFAOYSA-N 0 0 199.275 2.255 10 0 AEAERN CCSC[C@H](O)c1ccco1 83484961 573526835 /nfs/dbraw/zinc/52/68/35/573526835.db2.gz VPQCFKIRKNPTFS-ZETCQYMHSA-N 0 0 172.249 2.066 10 0 AEAERN CN(CCC(C)(C)C)C(=O)S 258750576 573526863 /nfs/dbraw/zinc/52/68/63/573526863.db2.gz UEYHVMBEWZLCAL-UHFFFAOYSA-N 0 0 175.297 2.404 10 0 AEAERN O=C1CC[C@@H](OCC2CCCC2)C1 86620022 573526932 /nfs/dbraw/zinc/52/69/32/573526932.db2.gz UXNOPCSJEAVBPC-LLVKDONJSA-N 0 0 182.263 2.315 10 0 AEAERN CCCSCC(=O)C(C)C 83486683 573526967 /nfs/dbraw/zinc/52/69/67/573526967.db2.gz FLQCQKWBCIMRPV-UHFFFAOYSA-N 0 0 160.282 2.355 10 0 AEAERN CCSC[C@@H](O)c1ccco1 83484962 573526975 /nfs/dbraw/zinc/52/69/75/573526975.db2.gz VPQCFKIRKNPTFS-SSDOTTSWSA-N 0 0 172.249 2.066 10 0 AEAERN C[C@@H]1C[C@@H](CO)Cc2ccccc21 238425495 573527003 /nfs/dbraw/zinc/52/70/03/573527003.db2.gz DXTVVCYJJMZQGH-NXEZZACHSA-N 0 0 176.259 2.345 10 0 AEAERN O[C@H]1CC[C@H](Oc2ccc(F)cc2)C1 86621459 573527032 /nfs/dbraw/zinc/52/70/32/573527032.db2.gz SJKMOIYGBQPWPF-ONGXEEELSA-N 0 0 196.221 2.118 10 0 AEAERN C[C@H](O)[C@H]1C[C@@H](C)C1(C)C 238424977 573527076 /nfs/dbraw/zinc/52/70/76/573527076.db2.gz HNYXVDQKSIHVSQ-GJMOJQLCSA-N 0 0 142.242 2.049 10 0 AEAERN CC1=Nc2cnc(Cl)nc2N[C@H]1C 238426180 573527096 /nfs/dbraw/zinc/52/70/96/573527096.db2.gz SPHYCKFMLWWVTC-YFKPBYRVSA-N 0 0 196.641 2.036 10 0 AEAERN Cc1ccc(F)c(C(=O)C[C@H](C)O)c1 238425557 573527170 /nfs/dbraw/zinc/52/71/70/573527170.db2.gz LUYLUIBHSPGGRV-QMMMGPOBSA-N 0 0 196.221 2.088 10 0 AEAERN CC(C)c1nccn1[C@@H]1CC[C@@H](O)C1 86621093 573527185 /nfs/dbraw/zinc/52/71/85/573527185.db2.gz GRYLSZLTQCPJPH-NXEZZACHSA-N 0 0 194.278 2.092 10 0 AEAERN COc1cc([C@H](O)C(C)C)ccc1O 238426126 573527286 /nfs/dbraw/zinc/52/72/86/573527286.db2.gz 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/nfs/dbraw/zinc/54/18/94/573541894.db2.gz DVQJWPAHXXNKKA-UHFFFAOYSA-N 0 0 187.582 2.452 10 0 AEAERN CNc1ccnn1-c1ccccc1C 107348431 573541942 /nfs/dbraw/zinc/54/19/42/573541942.db2.gz DKKZVWBFFBAOHE-UHFFFAOYSA-N 0 0 187.246 2.222 10 0 AEAERN CC1=C(C)C[C@@](O)([C@H](C)CCO)CC1 238435463 573542093 /nfs/dbraw/zinc/54/20/93/573542093.db2.gz IYHWWMABNADWDL-VXGBXAGGSA-N 0 0 198.306 2.256 10 0 AEAERN O=C1CCC[C@H]1CC[C@H]1CCCO1 83527636 573542104 /nfs/dbraw/zinc/54/21/04/573542104.db2.gz AUEKZFOXEKPEQX-VHSXEESVSA-N 0 0 182.263 2.315 10 0 AEAERN C[C@H]1c2cc(O)ccc2N(C)[C@@H]1C 238434398 573542112 /nfs/dbraw/zinc/54/21/12/573542112.db2.gz GZYIEWMNZOOOTP-HTQZYQBOSA-N 0 0 177.247 2.334 10 0 AEAERN Cc1nc(C[C@@H]2C[C@H]3CC[C@@H]2C3)n[nH]1 36960863 573542133 /nfs/dbraw/zinc/54/21/33/573542133.db2.gz LLIPJRZFBRYSQW-AEJSXWLSSA-N 0 0 191.278 2.092 10 0 AEAERN CC[C@@H](O)Cc1nc(C)c(C)s1 83533426 573542147 /nfs/dbraw/zinc/54/21/47/573542147.db2.gz KXXJCEQWAFOAOB-MRVPVSSYSA-N 0 0 185.292 2.073 10 0 AEAERN CNc1ccnn1-c1ccccc1F 107352725 573542153 /nfs/dbraw/zinc/54/21/53/573542153.db2.gz QHYGLRCBXWCGKM-UHFFFAOYSA-N 0 0 191.209 2.053 10 0 AEAERN CC(=O)c1c(Cl)cnn1C(C)C 107348079 573542158 /nfs/dbraw/zinc/54/21/58/573542158.db2.gz QYOZIONTXOUFIM-UHFFFAOYSA-N 0 0 186.642 2.320 10 0 AEAERN C[C@@H]1CCC[C@@]1(O)CC[C@@H]1CCCO1 83528812 573542164 /nfs/dbraw/zinc/54/21/64/573542164.db2.gz JXFRAFBGAMZDDO-GRYCIOLGSA-N 0 0 198.306 2.497 10 0 AEAERN C=C/C=C\[C@H](CO)[C@H](O)/C=C/CCC 308616284 573542281 /nfs/dbraw/zinc/54/22/81/573542281.db2.gz ALYVFNPZIRNHNM-DJXCQHBDSA-N 0 0 196.290 2.054 10 0 AEAERN OC1(CC[C@H]2CCCO2)CCCC1 83528320 573542288 /nfs/dbraw/zinc/54/22/88/573542288.db2.gz CPGIBUYXZQTIHQ-SNVBAGLBSA-N 0 0 184.279 2.251 10 0 AEAERN CSC1(SC)C(=O)CC[C@H]1C 39112100 573542291 /nfs/dbraw/zinc/54/22/91/573542291.db2.gz XFYXKWZPSBZQCG-ZCFIWIBFSA-N 0 0 190.333 2.408 10 0 AEAERN OC[C@@H]1CC[C@H]1c1cccc(F)c1 257824393 573542341 /nfs/dbraw/zinc/54/23/41/573542341.db2.gz GSGFUXKFMVLCQF-ONGXEEELSA-N 0 0 180.222 2.312 10 0 AEAERN OC1(CC[C@@H]2CCCO2)CCCC1 83528319 573542415 /nfs/dbraw/zinc/54/24/15/573542415.db2.gz CPGIBUYXZQTIHQ-JTQLQIEISA-N 0 0 184.279 2.251 10 0 AEAERN CC(=O)c1c(C)nnc2ccccc12 107347818 573542531 /nfs/dbraw/zinc/54/25/31/573542531.db2.gz ZHKGMGPLBPPDFE-UHFFFAOYSA-N 0 0 186.214 2.141 10 0 AEAERN Cc1ncncc1-c1ccccc1N 257824471 573542539 /nfs/dbraw/zinc/54/25/39/573542539.db2.gz GVSFMRQRIFBJDB-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN COCc1cccc(C(C)(C)CO)c1 258056530 573542583 /nfs/dbraw/zinc/54/25/83/573542583.db2.gz LDAQJSVJRQQRJA-UHFFFAOYSA-N 0 0 194.274 2.103 10 0 AEAERN CSc1coc(C(C)=O)c1 238434488 573542613 /nfs/dbraw/zinc/54/26/13/573542613.db2.gz XCAIVBLBZSXJJQ-UHFFFAOYSA-N 0 0 156.206 2.204 10 0 AEAERN C[C@@H]1C[C@H]1N1CCNc2ccccc21 107349268 573542646 /nfs/dbraw/zinc/54/26/46/573542646.db2.gz AWQCMXAVYRPELT-BXKDBHETSA-N 0 0 188.274 2.327 10 0 AEAERN CO[C@](C)(CCO)c1ccccc1C 257824827 573544870 /nfs/dbraw/zinc/54/48/70/573544870.db2.gz GZVKRDIUOSWGDM-GFCCVEGCSA-N 0 0 194.274 2.239 10 0 AEAERN COC[C@H]1CNc2c(F)cccc2C1 107361743 573544889 /nfs/dbraw/zinc/54/48/89/573544889.db2.gz RUYXQEQXQQSZMM-MRVPVSSYSA-N 0 0 195.237 2.056 10 0 AEAERN C[C@@H](CO)[C@H]1CCc2ccc(O)cc21 257824757 573544913 /nfs/dbraw/zinc/54/49/13/573544913.db2.gz GXTWKAAPPKGBFI-GZMMTYOYSA-N 0 0 192.258 2.050 10 0 AEAERN C[C@@H]1CCC[C@]1(O)CC[C@@H]1CCCO1 83528810 573544223 /nfs/dbraw/zinc/54/42/23/573544223.db2.gz JXFRAFBGAMZDDO-WOPDTQHZSA-N 0 0 198.306 2.497 10 0 AEAERN CCCC[C@@](O)(CC)C[C@H](C)O 144242346 573544225 /nfs/dbraw/zinc/54/42/25/573544225.db2.gz UXCNTKSAEILJCW-UWVGGRQHSA-N 0 0 174.284 2.089 10 0 AEAERN CCC1=C(CC)[C@@H](C(C)(C)O)[C@@H]1CO 308611341 573544230 /nfs/dbraw/zinc/54/42/30/573544230.db2.gz YNIFTVZVKVWEPC-GHMZBOCLSA-N 0 0 198.306 2.112 10 0 AEAERN CC[C@@H](O)/C=C\c1cccc(OC)c1 308619232 573544279 /nfs/dbraw/zinc/54/42/79/573544279.db2.gz CZFOGTDUQPZBFO-SKVAFPRGSA-N 0 0 192.258 2.479 10 0 AEAERN OC[C@H]1CC[C@@H]1c1cccc(F)c1 257824392 573544360 /nfs/dbraw/zinc/54/43/60/573544360.db2.gz GSGFUXKFMVLCQF-MWLCHTKSSA-N 0 0 180.222 2.312 10 0 AEAERN Cc1cccc([C@H]2CC[C@@H]2CO)c1 257824475 573544391 /nfs/dbraw/zinc/54/43/91/573544391.db2.gz GVWBGQQNRBFISG-VXGBXAGGSA-N 0 0 176.259 2.481 10 0 AEAERN COc1c2[nH]c(C)ccc-2ccc1=O 238435793 573544968 /nfs/dbraw/zinc/54/49/68/573544968.db2.gz CXLXDDQPDXTWGW-UHFFFAOYSA-N 0 0 189.214 2.257 10 0 AEAERN CC[C@@H](C)O[C@H](C)C(=O)C(C)C 238260860 573544970 /nfs/dbraw/zinc/54/49/70/573544970.db2.gz KPSSTRNWVUSNJJ-RKDXNWHRSA-N 0 0 172.268 2.415 10 0 AEAERN C[C@H](CCO)[C@H]1CC=CCC1 238435350 573544418 /nfs/dbraw/zinc/54/44/18/573544418.db2.gz GTCMUKRKLZJADV-ZJUUUORDSA-N 0 0 154.253 2.361 10 0 AEAERN O=C1CCC[C@@H]1CC[C@@H]1CCCO1 83527633 573544444 /nfs/dbraw/zinc/54/44/44/573544444.db2.gz AUEKZFOXEKPEQX-ZJUUUORDSA-N 0 0 182.263 2.315 10 0 AEAERN C[C@H](CO)[C@@H](C)Nc1ccccc1 238435454 573544454 /nfs/dbraw/zinc/54/44/54/573544454.db2.gz APOIXJNDEHSJLE-NXEZZACHSA-N 0 0 179.263 2.115 10 0 AEAERN C/C=C\[C@H](CO)OCc1ccccc1 308626395 573544520 /nfs/dbraw/zinc/54/45/20/573544520.db2.gz MMLSKGYQXRKNDK-DBGMKRSLSA-N 0 0 192.258 2.140 10 0 AEAERN Cc1nc(C[C@@H](O)C2CC2)sc1C 83533434 573544536 /nfs/dbraw/zinc/54/45/36/573544536.db2.gz LZRPRAKQQXWVSH-SECBINFHSA-N 0 0 197.303 2.073 10 0 AEAERN COc1cccc([C@@H]2CC[C@H]2CO)c1 257825279 573544617 /nfs/dbraw/zinc/54/46/17/573544617.db2.gz HDCKLSNCXAFCJS-JQWIXIFHSA-N 0 0 192.258 2.181 10 0 AEAERN C[C@H](CO)[C@H]1CCc2ccc(O)cc21 257824761 573544631 /nfs/dbraw/zinc/54/46/31/573544631.db2.gz GXTWKAAPPKGBFI-LDYMZIIASA-N 0 0 192.258 2.050 10 0 AEAERN CC[C@H](O)/C=C/[C@@H](O)c1ccccc1 308626477 573544652 /nfs/dbraw/zinc/54/46/52/573544652.db2.gz MTPSDAGUQPDEET-VDTGWRSZSA-N 0 0 192.258 2.047 10 0 AEAERN C[NH2+]Cc1onc2cc(Cl)ccc12 257825310 573544683 /nfs/dbraw/zinc/54/46/83/573544683.db2.gz HDYHORQJWBGJSH-UHFFFAOYSA-N 0 0 196.637 2.201 10 0 AEAERN CC(=O)c1csc(-n2cccc2)n1 86662551 573544699 /nfs/dbraw/zinc/54/46/99/573544699.db2.gz XFKCEJADDNBPOQ-UHFFFAOYSA-N 0 0 192.243 2.136 10 0 AEAERN C[C@@H]1ON=C(c2ccccc2)C1C=O 308626736 573544700 /nfs/dbraw/zinc/54/47/00/573544700.db2.gz NKOXVOBCNUUFES-LRUQUBRESA-N 0 0 189.214 2.251 10 0 AEAERN CC(C)[C@H](CO)N(C)c1cccs1 258769723 573544822 /nfs/dbraw/zinc/54/48/22/573544822.db2.gz HTCLNIUPKKIJPL-VIFPVBQESA-N 0 0 199.319 2.201 10 0 AEAERN CCc1cc(O)cc([C@@H](C)O)c1 258060402 573556380 /nfs/dbraw/zinc/55/63/80/573556380.db2.gz SOVMIEGXCVBZMK-SSDOTTSWSA-N 0 0 166.220 2.008 10 0 AEAERN Cn1ccc(C(=O)C2CCCCC2)n1 83571897 573556406 /nfs/dbraw/zinc/55/64/06/573556406.db2.gz ZMJZEXZLLPILHJ-UHFFFAOYSA-N 0 0 192.262 2.183 10 0 AEAERN C[C@@H]1CC[C@@H](C)C(C)(C)[C@@H]1NC(N)=O 238438691 573556418 /nfs/dbraw/zinc/55/64/18/573556418.db2.gz FJIHDVXJQFHLHN-IWSPIJDZSA-N 0 0 198.310 2.116 10 0 AEAERN Cc1ccc([C@H](C)O)c(Cl)n1 238439080 573556457 /nfs/dbraw/zinc/55/64/57/573556457.db2.gz APSJQUMMAIPOLB-LURJTMIESA-N 0 0 171.627 2.097 10 0 AEAERN Cc1cc2scc(C)n2c1C=O 75395365 573556462 /nfs/dbraw/zinc/55/64/62/573556462.db2.gz KCCAUYUGFFUNEZ-UHFFFAOYSA-N 0 0 179.244 2.430 10 0 AEAERN O=Cc1cccc2c(C3CC3)n[nH]c12 257826498 573555660 /nfs/dbraw/zinc/55/56/60/573555660.db2.gz HOLNTHMSNJXUGL-UHFFFAOYSA-N 0 0 186.214 2.253 10 0 AEAERN CC[C@@H](C)[C@@H](O)Cc1ccco1 130363780 573555662 /nfs/dbraw/zinc/55/56/62/573555662.db2.gz IWYUHXLQNNLKEP-SCZZXKLOSA-N 0 0 168.236 2.229 10 0 AEAERN Cc1cccn2nc(C3CCC3)nc12 258059997 573555725 /nfs/dbraw/zinc/55/57/25/573555725.db2.gz ULDHIUFNDRPVDZ-UHFFFAOYSA-N 0 0 187.246 2.305 10 0 AEAERN CCC/C=C\C=C/C(=O)OC 144810221 573555735 /nfs/dbraw/zinc/55/57/35/573555735.db2.gz MZSLTYYFLBJGRY-ISTTXYCBSA-N 0 0 154.209 2.072 10 0 AEAERN COC(=O)[C@@H](C)c1ccc(Cl)o1 257830187 573556493 /nfs/dbraw/zinc/55/64/93/573556493.db2.gz IYFHOZPGJRXXRV-YFKPBYRVSA-N 0 0 188.610 2.210 10 0 AEAERN OCc1noc2sc(Cl)cc12 197045768 573555760 /nfs/dbraw/zinc/55/57/60/573555760.db2.gz WAZYKCDZRHGRNM-UHFFFAOYSA-N 0 0 189.623 2.035 10 0 AEAERN CCCC(=O)c1nc(C)[nH]c1C 197041702 573555803 /nfs/dbraw/zinc/55/58/03/573555803.db2.gz YSIJSFRLUQLOJX-UHFFFAOYSA-N 0 0 166.224 2.009 10 0 AEAERN Cc1cc(C)c2cnccc2c1N 257826461 573555809 /nfs/dbraw/zinc/55/58/09/573555809.db2.gz HMUWXEVJCFAFMU-UHFFFAOYSA-N 0 0 172.231 2.434 10 0 AEAERN CC(C)(O)C[C@H]1Cc2ccccc2O1 258063380 573555864 /nfs/dbraw/zinc/55/58/64/573555864.db2.gz GJGNFIFDLIWXSN-SNVBAGLBSA-N 0 0 192.258 2.151 10 0 AEAERN CC(C)(O)C[C@@H]1Cc2ccccc2O1 258063377 573555872 /nfs/dbraw/zinc/55/58/72/573555872.db2.gz GJGNFIFDLIWXSN-JTQLQIEISA-N 0 0 192.258 2.151 10 0 AEAERN C[C@]1(O)CNc2ccc(Cl)cc2C1 257830122 573555891 /nfs/dbraw/zinc/55/58/91/573555891.db2.gz IWSSDQOPDNFPPC-SNVBAGLBSA-N 0 0 197.665 2.059 10 0 AEAERN COc1cc2occc2c(OC)c1N 75396875 573555909 /nfs/dbraw/zinc/55/59/09/573555909.db2.gz LRSJLEVBSMQRGX-UHFFFAOYSA-N 0 0 193.202 2.032 10 0 AEAERN CC(=O)c1cc2c(N)ccc(F)c2o1 75396792 573555914 /nfs/dbraw/zinc/55/59/14/573555914.db2.gz JMTDARVSPKTRTA-UHFFFAOYSA-N 0 0 193.177 2.357 10 0 AEAERN CO[C@@H](C)c1ccccc1C1(O)CC1 259506857 573555953 /nfs/dbraw/zinc/55/59/53/573555953.db2.gz RKIRIQJWWVDDKE-VIFPVBQESA-N 0 0 192.258 2.375 10 0 AEAERN CO[C@H](C)c1ccccc1C1(O)CC1 259506855 573555992 /nfs/dbraw/zinc/55/59/92/573555992.db2.gz RKIRIQJWWVDDKE-SECBINFHSA-N 0 0 192.258 2.375 10 0 AEAERN C[C@H]1CC=C([C@@H](C)O)CC1 238438698 573556017 /nfs/dbraw/zinc/55/60/17/573556017.db2.gz QYOOXKWLLOAUFK-JGVFFNPUSA-N 0 0 140.226 2.114 10 0 AEAERN Cc1cccc(C)c1[C@@H]1COC(=O)N1 95686134 573556020 /nfs/dbraw/zinc/55/60/20/573556020.db2.gz PWNSBEKGVKAWGY-VIFPVBQESA-N 0 0 191.230 2.084 10 0 AEAERN COC(=O)/C(F)=C/c1ccc(F)cc1 257830246 573556076 /nfs/dbraw/zinc/55/60/76/573556076.db2.gz IZAFNETWLYYLLS-TWGQIWQCSA-N 0 0 198.168 2.309 10 0 AEAERN Cc1cc2occc2cc1N 75396853 573556080 /nfs/dbraw/zinc/55/60/80/573556080.db2.gz QBIWTMFHDBOJEG-UHFFFAOYSA-N 0 0 147.177 2.323 10 0 AEAERN CC(=O)c1cccc2c1N[C@@H](C)C2 258059628 573556136 /nfs/dbraw/zinc/55/61/36/573556136.db2.gz LSBCVYABXWKTGK-ZETCQYMHSA-N 0 0 175.231 2.246 10 0 AEAERN OC[C@H]1CC[C@@H]1c1ccccc1F 257830255 573556147 /nfs/dbraw/zinc/55/61/47/573556147.db2.gz JEQCZNYLDBCJIT-BDAKNGLRSA-N 0 0 180.222 2.312 10 0 AEAERN Cc1ccsc1[C@@H]1CCOC(=O)N1 95693508 573556197 /nfs/dbraw/zinc/55/61/97/573556197.db2.gz QBTMJQXXSWVFMF-ZETCQYMHSA-N 0 0 197.259 2.228 10 0 AEAERN FC(F)(F)CN[C@@H]1CC[C@@H]1C1CC1 393536515 573556202 /nfs/dbraw/zinc/55/62/02/573556202.db2.gz GYLPJFWLUCQVJS-HTQZYQBOSA-N 0 0 193.212 2.327 10 0 AEAERN CC[C@H](C)[C@@H](O)Cc1ccco1 130364018 573556204 /nfs/dbraw/zinc/55/62/04/573556204.db2.gz IWYUHXLQNNLKEP-WPRPVWTQSA-N 0 0 168.236 2.229 10 0 AEAERN CC1(C)c2ccccc2CC[C@@H]1O 197050791 573556213 /nfs/dbraw/zinc/55/62/13/573556213.db2.gz RPCZAQCJGYOLJN-NSHDSACASA-N 0 0 176.259 2.271 10 0 AEAERN CC1(C)CN(c2ccccc2N)C1 86662891 573556215 /nfs/dbraw/zinc/55/62/15/573556215.db2.gz UJDFMGNAUOEVMY-UHFFFAOYSA-N 0 0 176.263 2.115 10 0 AEAERN Cc1ccccc1NC1=NC[C@H](C)O1 238438469 573556227 /nfs/dbraw/zinc/55/62/27/573556227.db2.gz ZSBBFHXNMSLOOM-VIFPVBQESA-N 0 0 190.246 2.182 10 0 AEAERN COc1c(CCO)cccc1[C@H](C)F 258061549 573556336 /nfs/dbraw/zinc/55/63/36/573556336.db2.gz HMCXZWFRLKXBSS-QMMMGPOBSA-N 0 0 198.237 2.261 10 0 AEAERN Cc1ncc(COC(F)F)s1 95704985 573556342 /nfs/dbraw/zinc/55/63/42/573556342.db2.gz FGZOTEZTYGAJLQ-UHFFFAOYSA-N 0 0 179.191 2.191 10 0 AEAERN CC(C)c1ccc2c(c1N)CCO2 75396893 573556344 /nfs/dbraw/zinc/55/63/44/573556344.db2.gz ULAUYIOVQQOAMQ-UHFFFAOYSA-N 0 0 177.247 2.327 10 0 AEAERN CC(=O)c1n[nH]nc1C1CCCCC1 75395322 573556360 /nfs/dbraw/zinc/55/63/60/573556360.db2.gz FYEOLOLJODWZNS-UHFFFAOYSA-N 0 0 193.250 2.055 10 0 AEAERN CCO[C@@H](C(=O)C(F)F)C(C)(C)C 686247025 573556367 /nfs/dbraw/zinc/55/63/67/573556367.db2.gz AZCQJIRYHXKMFS-ZETCQYMHSA-N 0 0 194.221 2.272 10 0 AEAERN C[NH2+][C@@]1(CC(=O)[O-])CCC[C@@H](C)CC1 83611868 573567832 /nfs/dbraw/zinc/56/78/32/573567832.db2.gz DDPBXOYJMURTTO-KOLCDFICSA-N 0 0 199.294 2.020 10 0 AEAERN C[C@@H](O)[C@@H]1C(=O)CC(C)(C)CC1(C)C 238432601 573567708 /nfs/dbraw/zinc/56/77/08/573567708.db2.gz QJRPJAMESMOWER-PSASIEDQSA-N 0 0 198.306 2.399 10 0 AEAERN Cc1ccc(C)n1CCc1c[nH]cn1 83610815 573567109 /nfs/dbraw/zinc/56/71/09/573567109.db2.gz LUKHKFSBIRWZOG-UHFFFAOYSA-N 0 0 189.262 2.071 10 0 AEAERN C[C@@]1(O)CCNc2cccc(Cl)c21 257831243 573567266 /nfs/dbraw/zinc/56/72/66/573567266.db2.gz JIYUVAXBORVXAF-SNVBAGLBSA-N 0 0 197.665 2.363 10 0 AEAERN COc1cccc(/C(=C\CO)CF)c1 308625872 573567269 /nfs/dbraw/zinc/56/72/69/573567269.db2.gz LLUBGZVLYILUTQ-YHYXMXQVSA-N 0 0 196.221 2.040 10 0 AEAERN CSc1cccc(N(C)C)c1O 145201589 573567377 /nfs/dbraw/zinc/56/73/77/573567377.db2.gz YMLXRHAKTYAAPY-UHFFFAOYSA-N 0 0 183.276 2.180 10 0 AEAERN Nc1cc(F)ccc1C(=O)C1CC1 257831477 573567399 /nfs/dbraw/zinc/56/73/99/573567399.db2.gz JRCDDRMBDFEJME-UHFFFAOYSA-N 0 0 179.194 2.001 10 0 AEAERN C[C@H]1CC[C@H](C(C)(C)CO)C1 238432724 573567479 /nfs/dbraw/zinc/56/74/79/573567479.db2.gz MQBUWKPXMQZLET-IUCAKERBSA-N 0 0 156.269 2.441 10 0 AEAERN CC(=O)[C@@H](c1sccc1C)N(C)C 259112823 573567516 /nfs/dbraw/zinc/56/75/16/573567516.db2.gz CYYFAWROTALIJN-VIFPVBQESA-N 0 0 197.303 2.248 10 0 AEAERN C[C@@H]1OC(=O)C[C@H]2CCCC[C@@H]12 145203775 573567518 /nfs/dbraw/zinc/56/75/18/573567518.db2.gz DQSNALGDONKRBI-YIZRAAEISA-N 0 0 168.236 2.128 10 0 AEAERN CC(C)n1cc2c(c1)C(=O)CC2 107401404 573567529 /nfs/dbraw/zinc/56/75/29/573567529.db2.gz RTEWXQURPSJHKO-UHFFFAOYSA-N 0 0 163.220 2.198 10 0 AEAERN C[C@H](O)/C=C/C[C@H]1CCCCC1=O 238433007 573567531 /nfs/dbraw/zinc/56/75/31/573567531.db2.gz PWPHZCPZBQSUCV-OCIBVNFRSA-N 0 0 182.263 2.073 10 0 AEAERN C[NH2+][C@@H](C)c1coc(C(C)(C)C)n1 258062811 573567818 /nfs/dbraw/zinc/56/78/18/573567818.db2.gz LLTFLOYHDYKRNX-ZETCQYMHSA-N 0 0 182.267 2.253 10 0 AEAERN CC(=O)C/C=C(\C)[C@@H](O)c1ccco1 308625340 573567549 /nfs/dbraw/zinc/56/75/49/573567549.db2.gz KMKIYAZHJBZPFC-AYLMVEPYSA-N 0 0 194.230 2.238 10 0 AEAERN CC(=O)[C@H](c1sccc1C)N(C)C 259112820 573567560 /nfs/dbraw/zinc/56/75/60/573567560.db2.gz CYYFAWROTALIJN-SECBINFHSA-N 0 0 197.303 2.248 10 0 AEAERN CC(=O)N1[C@H](C)CCCC1(C)C 238445190 573575515 /nfs/dbraw/zinc/57/55/15/573575515.db2.gz SASUHSPDDGNSAW-MRVPVSSYSA-N 0 0 169.268 2.186 10 0 AEAERN O[C@@H](c1ccc(F)cn1)C1CCCC1 86705098 573575527 /nfs/dbraw/zinc/57/55/27/573575527.db2.gz RAZSWPUEQNUQON-LLVKDONJSA-N 0 0 195.237 2.444 10 0 AEAERN CCc1cccc(-c2cnoc2N)c1 258065073 573575544 /nfs/dbraw/zinc/57/55/44/573575544.db2.gz LVZAAGPKHZZVFB-UHFFFAOYSA-N 0 0 188.230 2.486 10 0 AEAERN CC(C)=CCC/C(C)=C\C[C@H](O)CO 308635780 573575575 /nfs/dbraw/zinc/57/55/75/573575575.db2.gz YLCFKVWHSQDZLE-RDQDRAATSA-N 0 0 198.306 2.422 10 0 AEAERN CCCC(=O)c1c(N)cccc1F 145273538 573575609 /nfs/dbraw/zinc/57/56/09/573575609.db2.gz BKHLPIDGQUGASE-UHFFFAOYSA-N 0 0 181.210 2.391 10 0 AEAERN CC[C@H]1CC=CC[C@@H](CC)C(=O)[C@H]1O 308637117 573575623 /nfs/dbraw/zinc/57/56/23/573575623.db2.gz ZSZYJVRAFQZOTR-AXFHLTTASA-N 0 0 196.290 2.319 10 0 AEAERN CC(C)C[C@@H]([NH3+])C1(C(=O)[O-])CCCC1 308636041 573574983 /nfs/dbraw/zinc/57/49/83/573574983.db2.gz AZKZNBLPPDREDM-SECBINFHSA-N 0 0 199.294 2.005 10 0 AEAERN C/C=C(\CC)c1nc(CCO)c(C)o1 308637149 573575043 /nfs/dbraw/zinc/57/50/43/573575043.db2.gz ZVNGEZWTTNGCCJ-RUDMXATFSA-N 0 0 195.262 2.331 10 0 AEAERN Nc1cccc(C[C@@H]2CCCOC2)c1 257829766 573575044 /nfs/dbraw/zinc/57/50/44/573575044.db2.gz IVXAIYPXIICODV-NSHDSACASA-N 0 0 191.274 2.238 10 0 AEAERN Cc1cc(-c2cc(N)n[nH]2)sc1C 83631519 573575088 /nfs/dbraw/zinc/57/50/88/573575088.db2.gz JWZFNZUQCTWXDC-UHFFFAOYSA-N 0 0 193.275 2.337 10 0 AEAERN Cc1ccc(N)cc1N1CC[C@@H]1C 86687638 573575153 /nfs/dbraw/zinc/57/51/53/573575153.db2.gz MJCVKWACEBMIRY-VIFPVBQESA-N 0 0 176.263 2.176 10 0 AEAERN C[C@H](Cc1cccc(Cl)c1)ON 259515458 573575219 /nfs/dbraw/zinc/57/52/19/573575219.db2.gz SDFBLLSFCJOTNF-SSDOTTSWSA-N 0 0 185.654 2.161 10 0 AEAERN CC1CN(c2ccc(Cl)cc2N)C1 86687448 573575247 /nfs/dbraw/zinc/57/52/47/573575247.db2.gz CPFZFFWFIXSKKB-UHFFFAOYSA-N 0 0 196.681 2.378 10 0 AEAERN C[C@@H]1CC[C@@H]2CCC(=O)[C@@H]2C1 238444823 573575274 /nfs/dbraw/zinc/57/52/74/573575274.db2.gz BOXNBQBMKPDJIY-IWSPIJDZSA-N 0 0 152.237 2.402 10 0 AEAERN CC(=O)C(F)(F)C1CCCC1 257832561 573575303 /nfs/dbraw/zinc/57/53/03/573575303.db2.gz AAHNSSXTODZBAK-UHFFFAOYSA-N 0 0 162.179 2.401 10 0 AEAERN Cc1ncc(-c2ccnc(N)c2)s1 82389517 573575342 /nfs/dbraw/zinc/57/53/42/573575342.db2.gz LPNNYMWVOZCOHI-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1ncsc1-c1ccncc1N 82389519 573575349 /nfs/dbraw/zinc/57/53/49/573575349.db2.gz IRSJUCCUUKZATP-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN C[C@H]([NH2+]C(C)(C)C)c1ccc(O)cn1 145274389 573575428 /nfs/dbraw/zinc/57/54/28/573575428.db2.gz AZILZWLDSJMEPY-QMMMGPOBSA-N 0 0 194.278 2.236 10 0 AEAERN Nc1cc(C2CCCC2)ns1 107404335 573575440 /nfs/dbraw/zinc/57/54/40/573575440.db2.gz HPHSFBJKRXUPSE-UHFFFAOYSA-N 0 0 168.265 2.383 10 0 AEAERN CC1=CCCC(C)(C)[C@]1(O)/C=C\CO 308636053 573575456 /nfs/dbraw/zinc/57/54/56/573575456.db2.gz YZGOOULCMSYGKX-JECSTDCCSA-N 0 0 196.290 2.032 10 0 AEAERN CC(C)(F)Oc1ccc2c(c1)C[NH2+]C2 258063596 573589272 /nfs/dbraw/zinc/58/92/72/573589272.db2.gz PWOVLJKESUOFJZ-UHFFFAOYSA-N 0 0 195.237 2.374 10 0 AEAERN COc1ccc2c(c1)[C@H](O)[C@H](C)[C@@H]2C 86722047 573589290 /nfs/dbraw/zinc/58/92/90/573589290.db2.gz FSHDHXIYAZNHOC-JOAULVNJSA-N 0 0 192.258 2.482 10 0 AEAERN c1nocc1OCC1CCSCC1 258788677 573589303 /nfs/dbraw/zinc/58/93/03/573589303.db2.gz XNKDXOXPFNQQTD-UHFFFAOYSA-N 0 0 199.275 2.197 10 0 AEAERN C[C@@H]1c2cc(O)ccc2N(C)[C@@H]1C 238443524 573589320 /nfs/dbraw/zinc/58/93/20/573589320.db2.gz GZYIEWMNZOOOTP-JGVFFNPUSA-N 0 0 177.247 2.334 10 0 AEAERN CCc1cccc2c1C[C@H](C)[C@H]2O 86721638 573589379 /nfs/dbraw/zinc/58/93/79/573589379.db2.gz RMKTXRYHAKSGJW-QPUJVOFHSA-N 0 0 176.259 2.475 10 0 AEAERN C[C@H]1Cc2c(ccc(F)c2F)[C@@H]1O 86722103 573589387 /nfs/dbraw/zinc/58/93/87/573589387.db2.gz QSMAJIHOBSZERF-XUOSJQGZSA-N 0 0 184.185 2.190 10 0 AEAERN CCc1ccc2c(c1)[C@H](O)[C@H](C)C2 86721677 573589391 /nfs/dbraw/zinc/58/93/91/573589391.db2.gz QJMBRFCJBCQTBG-PRHODGIISA-N 0 0 176.259 2.475 10 0 AEAERN CCOc1ccc2c(c1)[C@H](O)[C@H](C)C2 86721884 573588739 /nfs/dbraw/zinc/58/87/39/573588739.db2.gz QDWDFSFVXMZIEF-PRHODGIISA-N 0 0 192.258 2.311 10 0 AEAERN COc1ccc(C[C@@H](C)CO)c(C)c1 83697894 573588783 /nfs/dbraw/zinc/58/87/83/573588783.db2.gz BGUBJIJCDYZEAO-SECBINFHSA-N 0 0 194.274 2.175 10 0 AEAERN COC(=O)[C@@H]1[C@@H](C)[C@@H]1C1CCCC1 259615611 573589409 /nfs/dbraw/zinc/58/94/09/573589409.db2.gz NBPDPANBGYIOGI-FXBDTBDDSA-N 0 0 182.263 2.232 10 0 AEAERN C[C@H]1Cc2c(F)cccc2[C@H]1O 86722091 573588821 /nfs/dbraw/zinc/58/88/21/573588821.db2.gz KRCFGRYYNDKQEU-WKEGUHRASA-N 0 0 166.195 2.051 10 0 AEAERN C[C@@H]1Cc2c(F)ccc(F)c2[C@@H]1O 86721521 573588893 /nfs/dbraw/zinc/58/88/93/573588893.db2.gz LTPNUSHHBFXUJS-GPXNAGAYSA-N 0 0 184.185 2.190 10 0 AEAERN CCSc1ccc(C(C)=O)cn1 124704619 573588925 /nfs/dbraw/zinc/58/89/25/573588925.db2.gz USYHDGPJIRQWFJ-UHFFFAOYSA-N 0 0 181.260 2.396 10 0 AEAERN COCc1ccc2c(c1)[C@H](O)[C@@H](C)C2 86722006 573588979 /nfs/dbraw/zinc/58/89/79/573588979.db2.gz AYJPODHQRPSFRE-QPUJVOFHSA-N 0 0 192.258 2.059 10 0 AEAERN COC(=O)c1occc1-c1ccco1 259521809 573588980 /nfs/dbraw/zinc/58/89/80/573588980.db2.gz XJIFRHKZCCULEM-UHFFFAOYSA-N 0 0 192.170 2.326 10 0 AEAERN O=C(OCC1CC=CC1)C1CCC1 308404412 573589005 /nfs/dbraw/zinc/58/90/05/573589005.db2.gz KVFPKIMYSNOBSB-UHFFFAOYSA-N 0 0 180.247 2.296 10 0 AEAERN CCc1ccc2c(c1)[C@@H](O)[C@@H](C)C2 86721683 573589036 /nfs/dbraw/zinc/58/90/36/573589036.db2.gz QJMBRFCJBCQTBG-UFBFGSQYSA-N 0 0 176.259 2.475 10 0 AEAERN CO[C@H]1CCNc2cccc(F)c21 257833596 573589039 /nfs/dbraw/zinc/58/90/39/573589039.db2.gz KIODXKGOWFNSAN-VIFPVBQESA-N 0 0 181.210 2.329 10 0 AEAERN CCCc1[nH]cc(N)c1SC 75484473 573589060 /nfs/dbraw/zinc/58/90/60/573589060.db2.gz MADDNIBRXNIQHY-UHFFFAOYSA-N 0 0 170.281 2.271 10 0 AEAERN CC(=O)c1nn(C)c2cc(C)ccc12 107419255 573589063 /nfs/dbraw/zinc/58/90/63/573589063.db2.gz AAJGGADXNUIYEW-UHFFFAOYSA-N 0 0 188.230 2.084 10 0 AEAERN Cc1cc(CC2(O)CC2)ccc1F 258066776 573589070 /nfs/dbraw/zinc/58/90/70/573589070.db2.gz TXBXHTBPWGHULZ-UHFFFAOYSA-N 0 0 180.222 2.202 10 0 AEAERN C[C@@H]1Cc2c(F)cccc2[C@H]1O 86722088 573589073 /nfs/dbraw/zinc/58/90/73/573589073.db2.gz KRCFGRYYNDKQEU-LDWIPMOCSA-N 0 0 166.195 2.051 10 0 AEAERN CC(C)Cc1cc(C=O)co1 75480216 573589093 /nfs/dbraw/zinc/58/90/93/573589093.db2.gz LMQCLXXHAFFASD-UHFFFAOYSA-N 0 0 152.193 2.291 10 0 AEAERN C[C@H]1Cc2cccc([C@H](C)O)c2O1 258063909 573589121 /nfs/dbraw/zinc/58/91/21/573589121.db2.gz LWPPMMZFLCCPCQ-YUMQZZPRSA-N 0 0 178.231 2.063 10 0 AEAERN CO[C@@H]1CCNc2cccc(F)c21 257833594 573589122 /nfs/dbraw/zinc/58/91/22/573589122.db2.gz KIODXKGOWFNSAN-SECBINFHSA-N 0 0 181.210 2.329 10 0 AEAERN CCOc1cccc2c1C[C@@H](C)[C@@H]2O 86721965 573589127 /nfs/dbraw/zinc/58/91/27/573589127.db2.gz QYOGJECIKBEFOO-PELKAZGASA-N 0 0 192.258 2.311 10 0 AEAERN CC/C=C(CCO)/C(=C\CCO)CC 308631170 573589143 /nfs/dbraw/zinc/58/91/43/573589143.db2.gz UXSGEOCPFIKDSI-HZAVHUKASA-N 0 0 198.306 2.424 10 0 AEAERN O=C(OC1CC1)C(C1CC1)C1CC1 308404845 573589154 /nfs/dbraw/zinc/58/91/54/573589154.db2.gz LAFVMAUAJUKKQF-UHFFFAOYSA-N 0 0 180.247 2.128 10 0 AEAERN C[C@@H]1CCCC(=O)C12CC2 238443413 573589173 /nfs/dbraw/zinc/58/91/73/573589173.db2.gz OSUOWEUIPDQGAF-SSDOTTSWSA-N 0 0 138.210 2.156 10 0 AEAERN CC[C@H](NC(=O)C(F)F)C(C)(C)C 393539224 573589219 /nfs/dbraw/zinc/58/92/19/573589219.db2.gz QGXGKJWBKLZHOM-LURJTMIESA-N 0 0 193.237 2.192 10 0 AEAERN COCc1ccc2c(c1)[C@@H](O)[C@H](C)C2 86722008 573589223 /nfs/dbraw/zinc/58/92/23/573589223.db2.gz AYJPODHQRPSFRE-PELKAZGASA-N 0 0 192.258 2.059 10 0 AEAERN C[C@H](CO)c1ccc(Cl)o1 257832702 573593518 /nfs/dbraw/zinc/59/35/18/573593518.db2.gz KSVBHRQNRUCKND-RXMQYKEDSA-N 0 0 160.600 2.029 10 0 AEAERN CCOc1cccc(C(OC)OC)c1 258810743 573593561 /nfs/dbraw/zinc/59/35/61/573593561.db2.gz NZHHTAVETUDNQH-UHFFFAOYSA-N 0 0 196.246 2.377 10 0 AEAERN COCN(C)c1cc(C)ccc1C 259135418 573593589 /nfs/dbraw/zinc/59/35/89/573593589.db2.gz QZHPPYRBECHQDO-UHFFFAOYSA-N 0 0 179.263 2.344 10 0 AEAERN Cc1cnn(-c2ccc(O)cc2C)c1 83696267 573593610 /nfs/dbraw/zinc/59/36/10/573593610.db2.gz MBZFBPQOTNNDRS-UHFFFAOYSA-N 0 0 188.230 2.195 10 0 AEAERN C[C@H]1CC(C)(C)C[C@]12CCC(=O)NC2 235621703 573593615 /nfs/dbraw/zinc/59/36/15/573593615.db2.gz YBEWDTURLDQJIV-CABZTGNLSA-N 0 0 195.306 2.339 10 0 AEAERN O=C(OCc1ccoc1)C1CCC1 308405717 573592889 /nfs/dbraw/zinc/59/28/89/573592889.db2.gz LRWVIMUGXZRAEP-UHFFFAOYSA-N 0 0 180.203 2.123 10 0 AEAERN CCN1C[C@@H](C)Nc2cc(O)ccc21 259135532 573592894 /nfs/dbraw/zinc/59/28/94/573592894.db2.gz GZPBSMVTUROQRQ-MRVPVSSYSA-N 0 0 192.262 2.033 10 0 AEAERN NOC[C@@H](F)C1CCCCCC1 259521063 573593012 /nfs/dbraw/zinc/59/30/12/573593012.db2.gz AGZUMLKNZDGFSD-SECBINFHSA-N 0 0 175.247 2.185 10 0 AEAERN Nc1ccc(F)c2c(O)cccc12 259520875 573593069 /nfs/dbraw/zinc/59/30/69/573593069.db2.gz AFNHFAGDNANODX-UHFFFAOYSA-N 0 0 177.178 2.267 10 0 AEAERN CCN1C[C@H](C)Nc2cc(O)ccc21 259135536 573593095 /nfs/dbraw/zinc/59/30/95/573593095.db2.gz GZPBSMVTUROQRQ-QMMMGPOBSA-N 0 0 192.262 2.033 10 0 AEAERN OCC[C@H]1CCCN1c1ccccc1 259520867 573593156 /nfs/dbraw/zinc/59/31/56/573593156.db2.gz AFCKFKOWTJAZJX-GFCCVEGCSA-N 0 0 191.274 2.038 10 0 AEAERN Cc1noc2c1C(=O)C1(CCC1)CC2 107421514 573593161 /nfs/dbraw/zinc/59/31/61/573593161.db2.gz KLQYJCSSRJAUSK-UHFFFAOYSA-N 0 0 191.230 2.282 10 0 AEAERN Cc1nn(C)c2nccc(C3CC3)c12 144483218 573593196 /nfs/dbraw/zinc/59/31/96/573593196.db2.gz KTKABSIOJGROQL-UHFFFAOYSA-N 0 0 187.246 2.154 10 0 AEAERN CC(C)[C@H](CO)CC1CCC1 259521785 573593216 /nfs/dbraw/zinc/59/32/16/573593216.db2.gz VWKHZXGJNGMTOD-JTQLQIEISA-N 0 0 156.269 2.441 10 0 AEAERN Cc1ccc(O)c(CF)c1 257832725 573593319 /nfs/dbraw/zinc/59/33/19/573593319.db2.gz ADZMZHGGCVXIAN-UHFFFAOYSA-N 0 0 140.157 2.170 10 0 AEAERN Cc1ccc2c(c1)N[C@@H](C)C(=O)S2 259135403 573593408 /nfs/dbraw/zinc/59/34/08/573593408.db2.gz GXOLEMRTASHJPY-ZETCQYMHSA-N 0 0 193.271 2.428 10 0 AEAERN CCn1c(C(C)=O)cnc1C(C)C 75515451 573593440 /nfs/dbraw/zinc/59/34/40/573593440.db2.gz GMFLKRIMTDOMJH-UHFFFAOYSA-N 0 0 180.251 2.229 10 0 AEAERN C[C@H]1CCC[C@H](c2nc(O)c[nH]2)C1 235621866 573597372 /nfs/dbraw/zinc/59/73/72/573597372.db2.gz ACUXUYLIMYOJHQ-YUMQZZPRSA-N 0 0 180.251 2.409 10 0 AEAERN CC(C)[C@H](O)c1ncc(Cl)s1 223180066 573597458 /nfs/dbraw/zinc/59/74/58/573597458.db2.gz FCAUJLAKRKBTLT-LURJTMIESA-N 0 0 191.683 2.486 10 0 AEAERN CC(C)[C@H](O)[C@H]1CCc2cccnc21 86735088 573597532 /nfs/dbraw/zinc/59/75/32/573597532.db2.gz XNVVQMPQPBDJLB-JQWIXIFHSA-N 0 0 191.274 2.128 10 0 AEAERN Cc1cccc([C@@H](O)[C@@H]2CCCO2)c1 83711288 573596918 /nfs/dbraw/zinc/59/69/18/573596918.db2.gz JYYLDEFWDZIRGJ-NWDGAFQWSA-N 0 0 192.258 2.207 10 0 AEAERN Nc1nc(CCc2cccs2)co1 258504033 573596944 /nfs/dbraw/zinc/59/69/44/573596944.db2.gz DQDHHTGSPQSDRH-UHFFFAOYSA-N 0 0 194.259 2.104 10 0 AEAERN Cc1cc([C@H](O)[C@H]2CCCO2)cs1 83711782 573596952 /nfs/dbraw/zinc/59/69/52/573596952.db2.gz VKVVOMAWNZCIGU-ZJUUUORDSA-N 0 0 198.287 2.269 10 0 AEAERN O=C(C1CCCCC1)[C@H]1CCCO1 83710755 573596974 /nfs/dbraw/zinc/59/69/74/573596974.db2.gz XCYVZUQVQIRSTF-SNVBAGLBSA-N 0 0 182.263 2.315 10 0 AEAERN CC[C@@](C)(O)[C@H]1CCc2cccnc21 86734813 573597020 /nfs/dbraw/zinc/59/70/20/573597020.db2.gz BBSSBJYYKDMBTC-CMPLNLGQSA-N 0 0 191.274 2.272 10 0 AEAERN O[C@@H](c1ccccc1F)[C@@H]1CCCO1 83711967 573597084 /nfs/dbraw/zinc/59/70/84/573597084.db2.gz ZBMVKPZJDYDMDO-QWRGUYRKSA-N 0 0 196.221 2.038 10 0 AEAERN CCCc1nc(N)oc1C(C)C 258503985 573597106 /nfs/dbraw/zinc/59/71/06/573597106.db2.gz DONMFHMZOLUQCE-UHFFFAOYSA-N 0 0 168.240 2.333 10 0 AEAERN CCc1cnc(-c2ccc(N)cc2)nc1 257835831 573597117 /nfs/dbraw/zinc/59/71/17/573597117.db2.gz IPVOYGAJHVETAO-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN CC(C)[C@@H](O)[C@@H]1CCc2cccnc21 86735086 573597161 /nfs/dbraw/zinc/59/71/61/573597161.db2.gz XNVVQMPQPBDJLB-ZYHUDNBSSA-N 0 0 191.274 2.128 10 0 AEAERN O[C@H](C1CCCCC1)[C@H]1CCCO1 83711116 573597176 /nfs/dbraw/zinc/59/71/76/573597176.db2.gz VCQBUPHNFOCWQX-GHMZBOCLSA-N 0 0 184.279 2.107 10 0 AEAERN O=C(CC1CCCC1)[C@@H]1CCCO1 83710714 573597204 /nfs/dbraw/zinc/59/72/04/573597204.db2.gz VVZFHFCFXGQETN-NSHDSACASA-N 0 0 182.263 2.315 10 0 AEAERN CC(=O)c1n[nH]c2c(Cl)cccc12 107428564 573597281 /nfs/dbraw/zinc/59/72/81/573597281.db2.gz OMUPVUPVDPDITM-UHFFFAOYSA-N 0 0 194.621 2.419 10 0 AEAERN C[C@H]1C[C@]12CCCCC2=O 238456920 573597304 /nfs/dbraw/zinc/59/73/04/573597304.db2.gz HJWVPDLURDCESB-IONNQARKSA-N 0 0 138.210 2.156 10 0 AEAERN O[C@H](C1CCCCC1)[C@@H]1CCCO1 83711112 573597341 /nfs/dbraw/zinc/59/73/41/573597341.db2.gz VCQBUPHNFOCWQX-WDEREUQCSA-N 0 0 184.279 2.107 10 0 AEAERN O[C@@H](c1ccccc1F)[C@H]1CCCO1 83711971 573597364 /nfs/dbraw/zinc/59/73/64/573597364.db2.gz ZBMVKPZJDYDMDO-MNOVXSKESA-N 0 0 196.221 2.038 10 0 AEAERN Cc1cccc([C@H](O)[C@H]2CCCO2)c1 83711291 573599778 /nfs/dbraw/zinc/59/97/78/573599778.db2.gz JYYLDEFWDZIRGJ-NEPJUHHUSA-N 0 0 192.258 2.207 10 0 AEAERN C[C@H]1CC[C@@H](C2=NC(=O)CN2C)C1 235622101 573599798 /nfs/dbraw/zinc/59/97/98/573599798.db2.gz 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573613332 /nfs/dbraw/zinc/61/33/32/573613332.db2.gz GRJLQTFJWQHBPT-UHFFFAOYSA-N 0 0 196.156 2.202 10 0 AEAERN CC[C@@H](CO)n1c(C)ccc1C 96373303 573613334 /nfs/dbraw/zinc/61/33/34/573613334.db2.gz IRKRMQNWJNULNK-JTQLQIEISA-N 0 0 167.252 2.048 10 0 AEAERN CC(C)=C[C@@H](C)C[C@H](C)O 238449019 573613375 /nfs/dbraw/zinc/61/33/75/573613375.db2.gz SOJJOVXNPQHJKM-BDAKNGLRSA-N 0 0 142.242 2.360 10 0 AEAERN COC(=O)/C=C1/CCC[C@@H](C)C1 96373420 573613411 /nfs/dbraw/zinc/61/34/11/573613411.db2.gz PPKQVCIHLDILQR-XZZQCUQZSA-N 0 0 168.236 2.296 10 0 AEAERN Nc1nc(Cc2cccs2)cs1 96373373 573613475 /nfs/dbraw/zinc/61/34/75/573613475.db2.gz RDYWKCXHHGFTQI-UHFFFAOYSA-N 0 0 196.300 2.378 10 0 AEAERN CC(=O)CCCC[C@H](C)F 238449154 573613482 /nfs/dbraw/zinc/61/34/82/573613482.db2.gz HGJGEESLXXLDRG-ZETCQYMHSA-N 0 0 146.205 2.494 10 0 AEAERN CC(=O)c1ccc(N2CCCC2)o1 75549066 573613521 /nfs/dbraw/zinc/61/35/21/573613521.db2.gz UGJSMWCJWZJOOX-UHFFFAOYSA-N 0 0 179.219 2.082 10 0 AEAERN CSc1cccc2c1CCN2 107456893 573613925 /nfs/dbraw/zinc/61/39/25/573613925.db2.gz REJABCRFWMJTIF-UHFFFAOYSA-N 0 0 165.261 2.377 10 0 AEAERN Cc1ccc(O)c(C(=O)[C@H](C)F)c1 238449058 573614594 /nfs/dbraw/zinc/61/45/94/573614594.db2.gz XBCGKPNFNZCMIX-ZETCQYMHSA-N 0 0 182.194 2.241 10 0 AEAERN CC[C@H](C)/C(C)=C/C(=O)OC 96373430 573614595 /nfs/dbraw/zinc/61/45/95/573614595.db2.gz BTWZIPNUOZSPJT-DGUDBNDOSA-N 0 0 156.225 2.152 10 0 AEAERN COC(=O)[C@@H]1[C@@H](C)[C@H]1c1cccs1 259529472 573614596 /nfs/dbraw/zinc/61/45/96/573614596.db2.gz FCKZIPCHRQZPIK-CNUIFLNQSA-N 0 0 196.271 2.271 10 0 AEAERN C[C@@H](c1csc(N)n1)C1CC1 96378810 573614629 /nfs/dbraw/zinc/61/46/29/573614629.db2.gz SDUCJWVATWKFJU-RXMQYKEDSA-N 0 0 168.265 2.239 10 0 AEAERN Nc1nc([C@H]2CCCS2)cs1 96378815 573614043 /nfs/dbraw/zinc/61/40/43/573614043.db2.gz XQLHHMWLZKPLEG-ZCFIWIBFSA-N 0 0 186.305 2.293 10 0 AEAERN Cc1cccc2c1CC[C@H]2CO 238449968 573614044 /nfs/dbraw/zinc/61/40/44/573614044.db2.gz OFNCDCAAZYCNFG-VIFPVBQESA-N 0 0 162.232 2.017 10 0 AEAERN COc1cc(F)c(C[C@H](C)O)cc1C 258070253 573614045 /nfs/dbraw/zinc/61/40/45/573614045.db2.gz MFLQHHSBUVASCC-QMMMGPOBSA-N 0 0 198.237 2.066 10 0 AEAERN Cc1c(CCO)ccc2c1CCCC2 238449062 573614047 /nfs/dbraw/zinc/61/40/47/573614047.db2.gz ODLARGBHYUGCKU-UHFFFAOYSA-N 0 0 190.286 2.409 10 0 AEAERN Cc1ncc(C2CC2)cc1C=O 107456325 573614072 /nfs/dbraw/zinc/61/40/72/573614072.db2.gz WACDCAWSLZMSEW-UHFFFAOYSA-N 0 0 161.204 2.080 10 0 AEAERN CCc1cc(C[C@@H](C)O)c(C)cc1O 258070197 573614091 /nfs/dbraw/zinc/61/40/91/573614091.db2.gz MEDPNWJDDNFBTK-SECBINFHSA-N 0 0 194.274 2.186 10 0 AEAERN COCSc1ccc(N)cc1C 83749042 573614168 /nfs/dbraw/zinc/61/41/68/573614168.db2.gz VUXPKOQUCCQBJA-UHFFFAOYSA-N 0 0 183.276 2.273 10 0 AEAERN CC[C@H](C)ONC(=O)[C@H](C)C(C)C 308406168 573614217 /nfs/dbraw/zinc/61/42/17/573614217.db2.gz JSZMMSRXYGNDDI-DTWKUNHWSA-N 0 0 187.283 2.125 10 0 AEAERN C[C@H](O)C[C@@]12CCCCCC[C@@H]1O2 238448826 573614242 /nfs/dbraw/zinc/61/42/42/573614242.db2.gz FPGLNFXAFQMKLD-DCAQKATOSA-N 0 0 184.279 2.249 10 0 AEAERN Cc1cn(CCCCCF)ccc1=O 308642400 573614272 /nfs/dbraw/zinc/61/42/72/573614272.db2.gz DVMGNURRBJGZID-UHFFFAOYSA-N 0 0 197.253 2.297 10 0 AEAERN C[Si](C)(C)[C@@H]1C=C[C@H](O)C1 238449818 573614286 /nfs/dbraw/zinc/61/42/86/573614286.db2.gz MKOLSVDKFSZPIF-JGVFFNPUSA-N 0 0 156.301 2.016 10 0 AEAERN CCOC(=O)/C(C)=C(\C)[C@H]1CCCO1 308641847 573614306 /nfs/dbraw/zinc/61/43/06/573614306.db2.gz DMWSWKANJZOARX-AAXQSMANSA-N 0 0 198.262 2.065 10 0 AEAERN CCN(C)Cc1cnc(Cl)s1 86776424 573614338 /nfs/dbraw/zinc/61/43/38/573614338.db2.gz RRNHFTVTFCYAIT-UHFFFAOYSA-N 0 0 190.699 2.248 10 0 AEAERN CC(C)[C@@H](C)c1csc(N)n1 96378741 573614382 /nfs/dbraw/zinc/61/43/82/573614382.db2.gz HVVYYYCRFVAUIT-ZCFIWIBFSA-N 0 0 170.281 2.485 10 0 AEAERN C[C@@H]1Nc2cc(O)ccc2[C@H]1C 107456570 573614432 /nfs/dbraw/zinc/61/44/32/573614432.db2.gz HUWMZSBKKLKUAC-BQBZGAKWSA-N 0 0 163.220 2.310 10 0 AEAERN CC(C)SCc1cnc(N)s1 86767190 573614437 /nfs/dbraw/zinc/61/44/37/573614437.db2.gz WUUUPXPWIOQSCO-UHFFFAOYSA-N 0 0 188.321 2.367 10 0 AEAERN CC[C@H](C)ONC(=O)[C@@H](C)C(C)C 308406169 573614438 /nfs/dbraw/zinc/61/44/38/573614438.db2.gz JSZMMSRXYGNDDI-IUCAKERBSA-N 0 0 187.283 2.125 10 0 AEAERN C[C@H]1C[C@@H](C)[C@@H](C)C[C@@H]1CO 238449881 573614498 /nfs/dbraw/zinc/61/44/98/573614498.db2.gz NJMIQISDOAHYOY-XFWSIPNHSA-N 0 0 156.269 2.297 10 0 AEAERN C[C@H](O)C[C@H](P)c1ccccc1 238450269 573616362 /nfs/dbraw/zinc/61/63/62/573616362.db2.gz KEAVMDNANWTSIN-WPRPVWTQSA-N 0 0 182.203 2.374 10 0 AEAERN Nc1c(Cl)cc(F)c(F)c1F 96373519 573616366 /nfs/dbraw/zinc/61/63/66/573616366.db2.gz ACUUGPRMWAYKSA-UHFFFAOYSA-N 0 0 181.544 2.340 10 0 AEAERN CC[C@@H]1CNc2cccc(O)c21 107456590 573616396 /nfs/dbraw/zinc/61/63/96/573616396.db2.gz SVAOMKQNVQUGNP-SSDOTTSWSA-N 0 0 163.220 2.311 10 0 AEAERN Cc1cnc(CC(C)C)c(N)c1 107456719 573616401 /nfs/dbraw/zinc/61/64/01/573616401.db2.gz UWZICFPMQNYRMK-UHFFFAOYSA-N 0 0 164.252 2.171 10 0 AEAERN Cc1cccc(NC2=NC[C@@H](C)O2)c1 238450705 573616409 /nfs/dbraw/zinc/61/64/09/573616409.db2.gz ISZIGVJTJWBWOL-SECBINFHSA-N 0 0 190.246 2.182 10 0 AEAERN C[C@H](O)C[C@H]1CCc2ccccc2N1 238451132 573616449 /nfs/dbraw/zinc/61/64/49/573616449.db2.gz JKIXYCYNASTWFX-GXSJLCMTSA-N 0 0 191.274 2.184 10 0 AEAERN CC(C)=C1C[C@@H]1C[C@H](C)O 238450453 573616452 /nfs/dbraw/zinc/61/64/52/573616452.db2.gz QGVWKBSXRIWCJQ-YUMQZZPRSA-N 0 0 140.226 2.114 10 0 AEAERN C[Si](C)(C)[C@@H]1C=C[C@@H](O)C1 238450067 573615737 /nfs/dbraw/zinc/61/57/37/573615737.db2.gz MKOLSVDKFSZPIF-HTQZYQBOSA-N 0 0 156.301 2.016 10 0 AEAERN CC(C)(C)OCc1cnc(N)s1 86766809 573615769 /nfs/dbraw/zinc/61/57/69/573615769.db2.gz DBEYSGQKWBOIEF-UHFFFAOYSA-N 0 0 186.280 2.040 10 0 AEAERN C[C@H](O)C[C@H]1CCC=C[C@@H]1C 238450517 573615780 /nfs/dbraw/zinc/61/57/80/573615780.db2.gz ZIVGMSBMOXHUKY-LPEHRKFASA-N 0 0 154.253 2.360 10 0 AEAERN Cc1cc(O)c2c(c1)[C@H](C)CC2=O 75566360 573615786 /nfs/dbraw/zinc/61/57/86/573615786.db2.gz ZKSZBHWNMHJTHI-SSDOTTSWSA-N 0 0 176.215 2.391 10 0 AEAERN COc1cccc2c1[C@H](C)CN2 107456587 573615865 /nfs/dbraw/zinc/61/58/65/573615865.db2.gz QANNPWNBFOMKNX-SSDOTTSWSA-N 0 0 163.220 2.224 10 0 AEAERN C[C@H](O)C[C@H]1CC[C@@H](C)OC1(C)C 238450757 573615906 /nfs/dbraw/zinc/61/59/06/573615906.db2.gz XSXHCIRATHWXGZ-IVZWLZJFSA-N 0 0 186.295 2.351 10 0 AEAERN C[C@H](O)C[C@]12CCCCCC[C@@H]1O2 238451334 573615920 /nfs/dbraw/zinc/61/59/20/573615920.db2.gz FPGLNFXAFQMKLD-GARJFASQSA-N 0 0 184.279 2.249 10 0 AEAERN Cc1cc(O)c(C)c2c1CCC2=O 75566428 573615927 /nfs/dbraw/zinc/61/59/27/573615927.db2.gz PPAQFQHUBSGQJG-UHFFFAOYSA-N 0 0 176.215 2.138 10 0 AEAERN C/C=C(\CC)C(=O)NO[C@H](C)CC 308408088 573615936 /nfs/dbraw/zinc/61/59/36/573615936.db2.gz KQWVZLHWJQFNKS-GTUWVTDSSA-N 0 0 185.267 2.189 10 0 AEAERN Nc1c(O)ccc2ccsc12 107456869 573615944 /nfs/dbraw/zinc/61/59/44/573615944.db2.gz UITHSBIYSSNLLN-UHFFFAOYSA-N 0 0 165.217 2.189 10 0 AEAERN Nc1nc([C@@H]2CCCS2)cs1 96378814 573615945 /nfs/dbraw/zinc/61/59/45/573615945.db2.gz XQLHHMWLZKPLEG-LURJTMIESA-N 0 0 186.305 2.293 10 0 AEAERN Cc1cccnc1-c1csc(N)n1 96373658 573615974 /nfs/dbraw/zinc/61/59/74/573615974.db2.gz DEHWWMVRRPVEMH-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN C[C@H]1c2ccc(O)cc2N[C@@H]1C 107456568 573615988 /nfs/dbraw/zinc/61/59/88/573615988.db2.gz HUWMZSBKKLKUAC-RNFRBKRXSA-N 0 0 163.220 2.310 10 0 AEAERN Fc1cc(F)c2cnoc2c1 211953006 573616088 /nfs/dbraw/zinc/61/60/88/573616088.db2.gz NITYZYXGADXLHF-UHFFFAOYSA-N 0 0 155.103 2.106 10 0 AEAERN Cc1ccccc1NC1=NC[C@@H](C)O1 238450764 573616120 /nfs/dbraw/zinc/61/61/20/573616120.db2.gz ZSBBFHXNMSLOOM-SECBINFHSA-N 0 0 190.246 2.182 10 0 AEAERN COc1c(C=O)ccc2c1CCCC2 238451144 573616147 /nfs/dbraw/zinc/61/61/47/573616147.db2.gz ZSSHVGUJTGNCOW-UHFFFAOYSA-N 0 0 190.242 2.387 10 0 AEAERN CC[C@H](CO)n1c(C)ccc1C 96373304 573616177 /nfs/dbraw/zinc/61/61/77/573616177.db2.gz IRKRMQNWJNULNK-SNVBAGLBSA-N 0 0 167.252 2.048 10 0 AEAERN COCSc1ccc(N)cc1F 83749043 573616189 /nfs/dbraw/zinc/61/61/89/573616189.db2.gz DBVWPMOFXLGKSE-UHFFFAOYSA-N 0 0 187.239 2.104 10 0 AEAERN C[C@@]12CC[C@H]1CCCC2=O 238450540 573616254 /nfs/dbraw/zinc/61/62/54/573616254.db2.gz JCXIWEGTAICFRF-VXNVDRBHSA-N 0 0 138.210 2.156 10 0 AEAERN Cc1cc(=O)c2c([nH]1)[C@H](C)CCC2 75567642 573616271 /nfs/dbraw/zinc/61/62/71/573616271.db2.gz RGCGZQYOUPCTLR-SSDOTTSWSA-N 0 0 177.247 2.123 10 0 AEAERN C[C@H]1CNc2cccc(F)c21 107455282 573617293 /nfs/dbraw/zinc/61/72/93/573617293.db2.gz JEOIIBSVVJPLHT-LURJTMIESA-N 0 0 151.184 2.355 10 0 AEAERN Cc1cc(-c2ccccc2O)on1 75565138 573617304 /nfs/dbraw/zinc/61/73/04/573617304.db2.gz OCKGEFRVSYLJHD-UHFFFAOYSA-N 0 0 175.187 2.356 10 0 AEAERN CC(=O)c1cnoc1[C@@H]1CCSC1 259131547 573617311 /nfs/dbraw/zinc/61/73/11/573617311.db2.gz GTTKURILXGHYDF-SSDOTTSWSA-N 0 0 197.259 2.098 10 0 AEAERN COCOc1cc(C)cc(C)c1 83755815 573617349 /nfs/dbraw/zinc/61/73/49/573617349.db2.gz HXGLKIANFIMVKI-UHFFFAOYSA-N 0 0 166.220 2.286 10 0 AEAERN COCOc1cc(C)ccc1F 83755814 573617365 /nfs/dbraw/zinc/61/73/65/573617365.db2.gz QMVQEAWDUCPHID-UHFFFAOYSA-N 0 0 170.183 2.117 10 0 AEAERN C[C@H](O)C[C@H]1SN1c1ccccc1 238451048 573616619 /nfs/dbraw/zinc/61/66/19/573616619.db2.gz HISUECLVXNNYDP-OZRKRLJNSA-N 0 0 195.287 2.252 10 0 AEAERN COCn1ccc2c(C=O)cccc21 83749188 573616622 /nfs/dbraw/zinc/61/66/22/573616622.db2.gz AEWXSZNIUBFBGZ-UHFFFAOYSA-N 0 0 189.214 2.058 10 0 AEAERN Cc1cc2c(cc1O)C(=O)C[C@H]2C 75566345 573616625 /nfs/dbraw/zinc/61/66/25/573616625.db2.gz RKZMLEZQBPGAOH-ZCFIWIBFSA-N 0 0 176.215 2.391 10 0 AEAERN COCSc1cc(N)cc(F)c1 83749055 573616669 /nfs/dbraw/zinc/61/66/69/573616669.db2.gz SXBWGGHHIABDSN-UHFFFAOYSA-N 0 0 187.239 2.104 10 0 AEAERN C[C@@H]1Nc2ccc(N)cc2C1(C)C 75566822 573616692 /nfs/dbraw/zinc/61/66/92/573616692.db2.gz MRWUNCAAGQMIIS-ZETCQYMHSA-N 0 0 176.263 2.360 10 0 AEAERN CC(=O)N[C@@]1(C)CC[C@H](C)C1(C)C 238451259 573616710 /nfs/dbraw/zinc/61/67/10/573616710.db2.gz SRQVNGVDBMVJPP-KWQFWETISA-N 0 0 183.295 2.337 10 0 AEAERN CCc1cc(C=O)c(C)c(C=O)c1 75566514 573616731 /nfs/dbraw/zinc/61/67/31/573616731.db2.gz JKODMLJPOXIAJL-UHFFFAOYSA-N 0 0 176.215 2.182 10 0 AEAERN C[C@H](O)c1ccc2c(c1)CCS2 238451001 573616788 /nfs/dbraw/zinc/61/67/88/573616788.db2.gz MJEDCBAUANMSSG-ZETCQYMHSA-N 0 0 180.272 2.388 10 0 AEAERN CCNc1cccc(Cl)c1N 96373368 573616863 /nfs/dbraw/zinc/61/68/63/573616863.db2.gz YCSUNQLHPYWVDX-UHFFFAOYSA-N 0 0 170.643 2.354 10 0 AEAERN CSc1cccc(CC2(O)CC2)c1 258070260 573616881 /nfs/dbraw/zinc/61/68/81/573616881.db2.gz MFVICAPFDBWSGV-UHFFFAOYSA-N 0 0 194.299 2.476 10 0 AEAERN C[C@@H]1Nc2cc(O)ccc2C1(C)C 75567729 573616906 /nfs/dbraw/zinc/61/69/06/573616906.db2.gz SQUVVORKWHBUQV-ZETCQYMHSA-N 0 0 177.247 2.484 10 0 AEAERN COc1c(O)ccc2c1OC(C)(C)C2 238450148 573616962 /nfs/dbraw/zinc/61/69/62/573616962.db2.gz LHLMJLHTWBROCW-UHFFFAOYSA-N 0 0 194.230 2.114 10 0 AEAERN CSc1ccc2c(c1)NCC2 107456891 573616967 /nfs/dbraw/zinc/61/69/67/573616967.db2.gz FVBFWEZKRAAUJC-UHFFFAOYSA-N 0 0 165.261 2.377 10 0 AEAERN C[C@](O)(F)CCC(F)(F)F 238450406 573616997 /nfs/dbraw/zinc/61/69/97/573616997.db2.gz JWHBPQQUJAKUDT-SCSAIBSYSA-N 0 0 160.110 2.007 10 0 AEAERN CCOC(=O)N(C1CC1)[C@@H](C)CC 308407399 573616998 /nfs/dbraw/zinc/61/69/98/573616998.db2.gz KHHDCIHTSLYMIQ-QMMMGPOBSA-N 0 0 185.267 2.406 10 0 AEAERN COC(=O)/C=C(/C)CC(C)C 96373422 573617007 /nfs/dbraw/zinc/61/70/07/573617007.db2.gz NTCOGTNGVBDCEV-VURMDHGXSA-N 0 0 156.225 2.152 10 0 AEAERN Cc1ncc(C(C)C)cc1N 107455225 573617011 /nfs/dbraw/zinc/61/70/11/573617011.db2.gz IPPGWJUYAGCVOO-UHFFFAOYSA-N 0 0 150.225 2.096 10 0 AEAERN Cc1ccc2c(c1O)C(=O)C[C@H]2C 75566363 573617019 /nfs/dbraw/zinc/61/70/19/573617019.db2.gz DXUYQKCQNSRCBS-SSDOTTSWSA-N 0 0 176.215 2.391 10 0 AEAERN Nc1nc(CC2CCCC2)cs1 96378821 573617129 /nfs/dbraw/zinc/61/71/29/573617129.db2.gz XQCCNVNSNAPRMS-UHFFFAOYSA-N 0 0 182.292 2.458 10 0 AEAERN C[C@H](O)c1ccc2ccsc2n1 238451218 573617162 /nfs/dbraw/zinc/61/71/62/573617162.db2.gz XCUHSGNYRIRWIS-LURJTMIESA-N 0 0 179.244 2.350 10 0 AEAERN Nc1nc(CCC(F)(F)F)cs1 96378785 573617193 /nfs/dbraw/zinc/61/71/93/573617193.db2.gz UAIDYTYWTQUMPV-UHFFFAOYSA-N 0 0 196.197 2.220 10 0 AEAERN Cc1c(C)c2ccccn2c1C=O 75563548 573617274 /nfs/dbraw/zinc/61/72/74/573617274.db2.gz WCOSAYREHAOBLG-UHFFFAOYSA-N 0 0 173.215 2.369 10 0 AEAERN Cc1ccc(/C(=C/CO)CF)cc1 238452271 573622285 /nfs/dbraw/zinc/62/22/85/573622285.db2.gz CQSXDZIUUKIBGS-IZZDOVSWSA-N 0 0 180.222 2.340 10 0 AEAERN CCC[C@]1(C2CC2)CC[C@](C)(CO)O1 308644892 573621528 /nfs/dbraw/zinc/62/15/28/573621528.db2.gz GNFGVAWEKXBKGV-VXGBXAGGSA-N 0 0 198.306 2.497 10 0 AEAERN COCC1(c2ccc(O)cc2)CCC1 259530253 573621565 /nfs/dbraw/zinc/62/15/65/573621565.db2.gz BAPVZBLSYGVXNE-UHFFFAOYSA-N 0 0 192.258 2.460 10 0 AEAERN C[C@@H]1[C@@H]2CC[C@H]1CCCC2=O 238452131 573621573 /nfs/dbraw/zinc/62/15/73/573621573.db2.gz VAABVUCRSLPGKH-YIZRAAEISA-N 0 0 152.237 2.402 10 0 AEAERN CC(C)c1nc2c([nH]1)CCCCC2=O 142891181 573621599 /nfs/dbraw/zinc/62/15/99/573621599.db2.gz WZOCAVBDGHQKSE-UHFFFAOYSA-N 0 0 192.262 2.442 10 0 AEAERN CC(=O)[C@@]1(CO)CCC(C)=C(C)C1 142797020 573621614 /nfs/dbraw/zinc/62/16/14/573621614.db2.gz VCMGPTJRNCSDLU-NSHDSACASA-N 0 0 182.263 2.074 10 0 AEAERN COCc1ccccc1/C=C\[N+](=O)[O-] 214532971 573621655 /nfs/dbraw/zinc/62/16/55/573621655.db2.gz QZRNSRSZNGWIIR-SREVYHEPSA-N 0 0 193.202 2.080 10 0 AEAERN C[Si](C)(C)[Si](C)(C)/C=C/CO 238451643 573621658 /nfs/dbraw/zinc/62/16/58/573621658.db2.gz YZKGNLZPKBDGIQ-SOFGYWHQSA-N 0 0 188.419 2.199 10 0 AEAERN C[C@H]1CC[C@@H](CO)C(C)(C)C1 142791973 573621663 /nfs/dbraw/zinc/62/16/63/573621663.db2.gz OUYXTAMWOJKTQE-IUCAKERBSA-N 0 0 156.269 2.441 10 0 AEAERN O=C1CC=C(c2ccncc2)CC1 142855278 573621670 /nfs/dbraw/zinc/62/16/70/573621670.db2.gz BUOVKGGXJTVFSB-UHFFFAOYSA-N 0 0 173.215 2.218 10 0 AEAERN C[C@@H]1CNC(=O)C2(CCCCC2)C1 238451669 573621698 /nfs/dbraw/zinc/62/16/98/573621698.db2.gz WJCPYLLBPFZMBT-VIFPVBQESA-N 0 0 181.279 2.093 10 0 AEAERN OCCc1cc2ccoc2cc1F 258070513 573621779 /nfs/dbraw/zinc/62/17/79/573621779.db2.gz UNDGVNHZBDUYMD-UHFFFAOYSA-N 0 0 180.178 2.107 10 0 AEAERN C[C@H]1CC[C@]1(O)c1ccc(O)cc1 238452653 573621786 /nfs/dbraw/zinc/62/17/86/573621786.db2.gz GIVAIHBHXUMKHC-GZMMTYOYSA-N 0 0 178.231 2.010 10 0 AEAERN C[C@]1(CCO)C=Nc2ccccc21 238452418 573621821 /nfs/dbraw/zinc/62/18/21/573621821.db2.gz NZMKHQDUEOCMGP-NSHDSACASA-N 0 0 175.231 2.043 10 0 AEAERN C[C@]1(CCCO)C=Nc2ccccc21 238452267 573621838 /nfs/dbraw/zinc/62/18/38/573621838.db2.gz OXMBMCFAKOZREB-LBPRGKRZSA-N 0 0 189.258 2.433 10 0 AEAERN COC(=O)c1cc2c(o1)CC[C@@H](C)C2 259531133 573621860 /nfs/dbraw/zinc/62/18/60/573621860.db2.gz ACCAVJFZZMKNAC-SSDOTTSWSA-N 0 0 194.230 2.191 10 0 AEAERN CC(=O)Nc1csc2cccnc12 142805458 573621928 /nfs/dbraw/zinc/62/19/28/573621928.db2.gz NZDRDMDKZQREKE-UHFFFAOYSA-N 0 0 192.243 2.255 10 0 AEAERN Cc1cc(C)c(C[C@H](C)O)c(O)c1C 238451600 573621940 /nfs/dbraw/zinc/62/19/40/573621940.db2.gz UIFHNJSRXIJXTD-VIFPVBQESA-N 0 0 194.274 2.241 10 0 AEAERN C[C@H]1CSc2ccccc2[C@H]1O 238452093 573621948 /nfs/dbraw/zinc/62/19/48/573621948.db2.gz OZASZTUWTSMJEV-XVKPBYJWSA-N 0 0 180.272 2.462 10 0 AEAERN Cc1cnc(C(F)(F)F)c(C=O)c1 107461980 573621987 /nfs/dbraw/zinc/62/19/87/573621987.db2.gz AUUYYWJEQVXVPJ-UHFFFAOYSA-N 0 0 189.136 2.221 10 0 AEAERN C/C=C/C=C/C(C)=C\CO 393542761 573621995 /nfs/dbraw/zinc/62/19/95/573621995.db2.gz NKIOGTDEHWSTHB-VFAUEVCSSA-N 0 0 138.210 2.057 10 0 AEAERN C[C@H]1CC(=O)C[C@@H]2[C@H](C)C=C[C@H]12 238452610 573622029 /nfs/dbraw/zinc/62/20/29/573622029.db2.gz AWGPRVZXOYOASQ-JZSSXWJLSA-N 0 0 164.248 2.424 10 0 AEAERN COc1cccc2c1OC1(CC1)CN2 259131849 573622038 /nfs/dbraw/zinc/62/20/38/573622038.db2.gz GUWYPONXYJKPAN-UHFFFAOYSA-N 0 0 191.230 2.032 10 0 AEAERN CC[C@H](C)[C@H](C)[C@H](O)[C@@H]1C[C@H]1OC 689976315 573622081 /nfs/dbraw/zinc/62/20/81/573622081.db2.gz DMYWUZWLFBKSGB-DAWVFNFOSA-N 0 0 186.295 2.064 10 0 AEAERN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2F 142825136 573622130 /nfs/dbraw/zinc/62/21/30/573622130.db2.gz HWJAVRHWMPVRBD-XSSZXYGBSA-N 0 0 170.227 2.350 10 0 AEAERN C[C@@H](O)[C@@H](F)c1ccccc1 142860559 573622191 /nfs/dbraw/zinc/62/21/91/573622191.db2.gz AAAFRBMMBSPWKX-VXNVDRBHSA-N 0 0 154.184 2.078 10 0 AEAERN C[C@@]12COC=CC1=CCCC(=O)C2 238451909 573622263 /nfs/dbraw/zinc/62/22/63/573622263.db2.gz NUDLEZKJCFRBJC-LLVKDONJSA-N 0 0 178.231 2.216 10 0 AEAERN CC(C)Oc1cccc2c1CCN2 107459041 573622264 /nfs/dbraw/zinc/62/22/64/573622264.db2.gz FMBLANQSQPXHCG-UHFFFAOYSA-N 0 0 177.247 2.442 10 0 AEAERN CC/C(=C/CO)c1ccc(O)cc1 259533237 573625431 /nfs/dbraw/zinc/62/54/31/573625431.db2.gz BGEBTULSJQIYKA-CLFYSBASSA-N 0 0 178.231 2.178 10 0 AEAERN CC[C@H]1c2ccc(F)cc2N[C@H]1CO 107463630 573625514 /nfs/dbraw/zinc/62/55/14/573625514.db2.gz CRTVETHQLNZXNA-KWQFWETISA-N 0 0 195.237 2.106 10 0 AEAERN CC(C)c1nc(SC(F)F)n[nH]1 96550230 573625532 /nfs/dbraw/zinc/62/55/32/573625532.db2.gz WIHIAJFVURYXEV-UHFFFAOYSA-N 0 0 193.222 2.243 10 0 AEAERN Cc1cc([C@H](C)O)c(C)c(C)c1O 75570075 573625557 /nfs/dbraw/zinc/62/55/57/573625557.db2.gz DOYONZNYZUQGNI-VIFPVBQESA-N 0 0 180.247 2.371 10 0 AEAERN C[C@H]1Oc2cc(O)ccc2C1(C)C 75568481 573625589 /nfs/dbraw/zinc/62/55/89/573625589.db2.gz PXZMLUZQKRUGQY-SSDOTTSWSA-N 0 0 178.231 2.451 10 0 AEAERN CCC(CC)Cn1cnnc1Cl 130539848 573625616 /nfs/dbraw/zinc/62/56/16/573625616.db2.gz XQHNGFNLNIPTMU-UHFFFAOYSA-N 0 0 187.674 2.368 10 0 AEAERN Cc1ccc(=O)n(C2CCCC2)c1 96547470 573625654 /nfs/dbraw/zinc/62/56/54/573625654.db2.gz AHCDTWPVLKQVNC-UHFFFAOYSA-N 0 0 177.247 2.272 10 0 AEAERN CCCC[C@@H](C)N(C)/C=C/C(=O)OC 308649810 573625759 /nfs/dbraw/zinc/62/57/59/573625759.db2.gz JKTMYWHEVGZJIT-AAXQSMANSA-N 0 0 199.294 2.184 10 0 AEAERN CC(C)[C@H]1CC(Br)=NO1 257837955 573625764 /nfs/dbraw/zinc/62/57/64/573625764.db2.gz LFEZXTCFPKQNMP-RXMQYKEDSA-N 0 0 192.056 2.140 10 0 AEAERN C[C@@H]1C[C@H](O)C2=C1CCCC2 238454504 573625846 /nfs/dbraw/zinc/62/58/46/573625846.db2.gz REOJSYDHWAPZLK-XCBNKYQSSA-N 0 0 152.237 2.258 10 0 AEAERN C[C@@H](O)c1ccc2c(c1)OC[C@@H]2C 258075530 573625868 /nfs/dbraw/zinc/62/58/68/573625868.db2.gz MORWPJOBEZOPET-JGVFFNPUSA-N 0 0 178.231 2.236 10 0 AEAERN CC[C@@H]1c2ccc(F)cc2N[C@H]1CO 107463629 573625883 /nfs/dbraw/zinc/62/58/83/573625883.db2.gz CRTVETHQLNZXNA-KCJUWKMLSA-N 0 0 195.237 2.106 10 0 AEAERN Cc1ccc(O)c2c1CCC[C@@H]2O 75568456 573625914 /nfs/dbraw/zinc/62/59/14/573625914.db2.gz UVFIDJIWJRGROV-VIFPVBQESA-N 0 0 178.231 2.070 10 0 AEAERN Cc1[nH]c(CC(C)(C)C)nc1C=O 75570227 573625936 /nfs/dbraw/zinc/62/59/36/573625936.db2.gz QEMXBXBGDJAXRB-UHFFFAOYSA-N 0 0 180.251 2.119 10 0 AEAERN Cc1cccc2c(N)cc(N)cc12 238454330 573627139 /nfs/dbraw/zinc/62/71/39/573627139.db2.gz SBHKNKJKAOBZDQ-UHFFFAOYSA-N 0 0 172.231 2.313 10 0 AEAERN CC[C@@H](CC(=O)OC)c1cc(C)no1 259532867 573627175 /nfs/dbraw/zinc/62/71/75/573627175.db2.gz AETMJJKVXMWSMV-QMMMGPOBSA-N 0 0 197.234 2.040 10 0 AEAERN C[C@H]1CC(=O)Cc2ccc(O)cc21 238453160 573627203 /nfs/dbraw/zinc/62/72/03/573627203.db2.gz GRIOOTUOVYJJJD-ZETCQYMHSA-N 0 0 176.215 2.011 10 0 AEAERN C[C@@H](/C=C\CO)Cc1ccccc1 393543938 573627207 /nfs/dbraw/zinc/62/72/07/573627207.db2.gz AIXBGKNCZYWGSQ-GZTOBOFZSA-N 0 0 176.259 2.414 10 0 AEAERN C[Si](C)(C)c1cccc(F)c1O 238453474 573627209 /nfs/dbraw/zinc/62/72/09/573627209.db2.gz JVYBUEQIVORYQL-UHFFFAOYSA-N 0 0 184.286 2.077 10 0 AEAERN CC[C@H](O)C1(OC)CCCCC1 124760766 573627240 /nfs/dbraw/zinc/62/72/40/573627240.db2.gz QTXPMJRKRILNRY-VIFPVBQESA-N 0 0 172.268 2.107 10 0 AEAERN C[C@H]1CCC[C@@](C)(CCCO)C1=O 238454283 573627319 /nfs/dbraw/zinc/62/73/19/573627319.db2.gz PZTDVEXIGCBSRR-ONGXEEELSA-N 0 0 184.279 2.154 10 0 AEAERN CC(=O)C[C@@H](C)Nc1ccccc1 238454257 573627370 /nfs/dbraw/zinc/62/73/70/573627370.db2.gz GVOSADWIFHKGDF-SECBINFHSA-N 0 0 177.247 2.466 10 0 AEAERN C[C@H](O)c1ccc2c(c1)OC[C@@H]2C 258075538 573627405 /nfs/dbraw/zinc/62/74/05/573627405.db2.gz MORWPJOBEZOPET-YUMQZZPRSA-N 0 0 178.231 2.236 10 0 AEAERN C[C@H]1CCC[C@@](C)(CF)C1=O 238454320 573627428 /nfs/dbraw/zinc/62/74/28/573627428.db2.gz GPJHSQFDZIQBBH-CBAPKCEASA-N 0 0 158.216 2.351 10 0 AEAERN OCc1c[nH]c(C2CCCCCC2)n1 83780015 573627479 /nfs/dbraw/zinc/62/74/79/573627479.db2.gz VFWGFYJGUGSZRJ-UHFFFAOYSA-N 0 0 194.278 2.340 10 0 AEAERN C[C@H](O)c1ncc2ccccc2c1F 238453598 573627515 /nfs/dbraw/zinc/62/75/15/573627515.db2.gz ZLPASXGKXGAKJC-ZETCQYMHSA-N 0 0 191.205 2.427 10 0 AEAERN O[C@@H](C1CCCCCC1)[C@@H]1CCOC1 83779213 573627544 /nfs/dbraw/zinc/62/75/44/573627544.db2.gz LKUPMXQALFBHGN-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN Cc1cccc2c(Cl)n[nH]c(=O)c12 238454137 573627594 /nfs/dbraw/zinc/62/75/94/573627594.db2.gz AXPLPJCRPZWEMI-UHFFFAOYSA-N 0 0 194.621 2.297 10 0 AEAERN C[C@H]1C[C@H]2[C@@H](C[C@@H]1CO)C2(C)C 238454206 573627624 /nfs/dbraw/zinc/62/76/24/573627624.db2.gz QDGZSGUFJHLTOU-QCLAVDOMSA-N 0 0 168.280 2.297 10 0 AEAERN CCOc1ncc(N)c2ccccc12 75578597 573627654 /nfs/dbraw/zinc/62/76/54/573627654.db2.gz ZUBNZPKMGISXOB-UHFFFAOYSA-N 0 0 188.230 2.216 10 0 AEAERN Cc1cc(=S)[nH]c2nc(N)ccc12 238453198 573627669 /nfs/dbraw/zinc/62/76/69/573627669.db2.gz XTTGDMGZXJICBD-UHFFFAOYSA-N 0 0 191.259 2.183 10 0 AEAERN C[C@H]1CC[C@@]2(C)CC(=O)[C@@H]1C2 238453184 573627680 /nfs/dbraw/zinc/62/76/80/573627680.db2.gz NWXGKAXXVFOHRD-QXFUBDJGSA-N 0 0 152.237 2.402 10 0 AEAERN Cc1cnc2[nH]c([C@H]3C[C@H]3C)nc2c1 86796145 573627713 /nfs/dbraw/zinc/62/77/13/573627713.db2.gz YDTSNEUBPOTNLJ-SFYZADRCSA-N 0 0 187.246 2.390 10 0 AEAERN CC[C@H](C)ONC(=O)C1CCCC1 308409493 573627714 /nfs/dbraw/zinc/62/77/14/573627714.db2.gz LBDIZSCMCIRBJR-QMMMGPOBSA-N 0 0 185.267 2.023 10 0 AEAERN Cc1cc2cccc(C[C@H](C)O)c2[nH]1 258075518 573627715 /nfs/dbraw/zinc/62/77/15/573627715.db2.gz MOORGLUSNPJWNN-VIFPVBQESA-N 0 0 189.258 2.400 10 0 AEAERN CC1=C[C@](C)(O)c2cc(C=O)ccc21 75578525 573627723 /nfs/dbraw/zinc/62/77/23/573627723.db2.gz JHCXUHHDWKLAAQ-LBPRGKRZSA-N 0 0 188.226 2.124 10 0 AEAERN O[C@H](C1CCCCCC1)[C@H]1CCOC1 83779216 573628823 /nfs/dbraw/zinc/62/88/23/573628823.db2.gz LKUPMXQALFBHGN-NWDGAFQWSA-N 0 0 198.306 2.354 10 0 AEAERN C[C@H]1CC[C@@H](c2nsc(N)n2)C1 83782491 573628100 /nfs/dbraw/zinc/62/81/00/573628100.db2.gz NAQPHCRCXAUBQT-NTSWFWBYSA-N 0 0 183.280 2.024 10 0 AEAERN CCn1cc(Cl)cc(Cl)c1=O 96547718 573628105 /nfs/dbraw/zinc/62/81/05/573628105.db2.gz IERYGVZYEDXKLO-UHFFFAOYSA-N 0 0 192.045 2.175 10 0 AEAERN Cc1cc2c(C=O)c(C)c(C)n2cn1 75578666 573628140 /nfs/dbraw/zinc/62/81/40/573628140.db2.gz AZFHKHWZTAHQLI-UHFFFAOYSA-N 0 0 188.230 2.072 10 0 AEAERN C[Si](C)(C)c1cc2ccncc2[nH]1 238454498 573628176 /nfs/dbraw/zinc/62/81/76/573628176.db2.gz NVLMWCYBRWLKEH-UHFFFAOYSA-N 0 0 190.322 2.108 10 0 AEAERN COCOCc1ccc(C)cc1C 96541966 573628193 /nfs/dbraw/zinc/62/81/93/573628193.db2.gz DVLLBFOMIAXRHJ-UHFFFAOYSA-N 0 0 180.247 2.424 10 0 AEAERN Oc1cc2c(c3ccoc13)OCCC2 75579513 573628205 /nfs/dbraw/zinc/62/82/05/573628205.db2.gz SBGKCKGIBKUKSC-UHFFFAOYSA-N 0 0 190.198 2.463 10 0 AEAERN C[C@@H]1CC[C@@H](c2nsc(N)n2)C1 83782488 573628220 /nfs/dbraw/zinc/62/82/20/573628220.db2.gz NAQPHCRCXAUBQT-PHDIDXHHSA-N 0 0 183.280 2.024 10 0 AEAERN C[C@H](O)c1nc2cccc(F)c2o1 238453459 573628229 /nfs/dbraw/zinc/62/82/29/573628229.db2.gz GQRKDOMBAUMAPU-YFKPBYRVSA-N 0 0 181.166 2.020 10 0 AEAERN C[C@H](O)[C@@H]1Cc2c(Cl)cccc2O1 258072352 573628278 /nfs/dbraw/zinc/62/82/78/573628278.db2.gz GXQLDSBEHMNPNI-WKEGUHRASA-N 0 0 198.649 2.024 10 0 AEAERN O=c1ccnc(C2CCCCCC2)[nH]1 83779102 573628297 /nfs/dbraw/zinc/62/82/97/573628297.db2.gz VHPYAEXYJBBYPC-UHFFFAOYSA-N 0 0 192.262 2.208 10 0 AEAERN C[C@H](O)c1oc(C2CC2)nc1C1CC1 238453677 573628315 /nfs/dbraw/zinc/62/83/15/573628315.db2.gz GPOIYIMPGWDGQX-LURJTMIESA-N 0 0 193.246 2.483 10 0 AEAERN C[N@H+]1CC=C(c2ccccc2O)CC1 75579286 573628332 /nfs/dbraw/zinc/62/83/32/573628332.db2.gz SNJQLWHKQHGFFU-UHFFFAOYSA-N 0 0 189.258 2.111 10 0 AEAERN CC(C)CCN1C=CSCC1=O 96540390 573628413 /nfs/dbraw/zinc/62/84/13/573628413.db2.gz RTRAVAZPHRZYAW-UHFFFAOYSA-N 0 0 185.292 2.079 10 0 AEAERN C[C@H]1CCC[C@@](C)(CO)C1 238454331 573628422 /nfs/dbraw/zinc/62/84/22/573628422.db2.gz CRYNZFDFDHYOJU-DTWKUNHWSA-N 0 0 142.242 2.195 10 0 AEAERN O=Cc1nc(C2CCCCCC2)no1 83780051 573628463 /nfs/dbraw/zinc/62/84/63/573628463.db2.gz KBEDEEINBZGPCR-UHFFFAOYSA-N 0 0 194.234 2.320 10 0 AEAERN CC(=O)C[C@@H](C)C(C)(C)N=O 238454047 573628623 /nfs/dbraw/zinc/62/86/23/573628623.db2.gz RSSQPEYHVJUROH-ZCFIWIBFSA-N 0 0 157.213 2.147 10 0 AEAERN Cc1[nH]c2ccc(NN)cc2c1C 259132124 573628706 /nfs/dbraw/zinc/62/87/06/573628706.db2.gz HZUSCJSQTBTLCQ-UHFFFAOYSA-N 0 0 175.235 2.070 10 0 AEAERN CC1(CC(=O)[C@H](O)C2CC2)CCCC1 308649982 573629760 /nfs/dbraw/zinc/62/97/60/573629760.db2.gz JNHQTKGIRFHZPL-LLVKDONJSA-N 0 0 196.290 2.297 10 0 AEAERN O=Cc1cc(C=O)c2c(c1)CCCC2 75578529 573629761 /nfs/dbraw/zinc/62/97/61/573629761.db2.gz AWGUAUQLUYDOOU-UHFFFAOYSA-N 0 0 188.226 2.190 10 0 AEAERN Cc1cccc2c(C=O)c(C=O)oc12 75578252 573629814 /nfs/dbraw/zinc/62/98/14/573629814.db2.gz BQVPDOJCAOWVKR-UHFFFAOYSA-N 0 0 188.182 2.366 10 0 AEAERN CC1=CCOC[C@@H]1c1ccccc1N 75579270 573629837 /nfs/dbraw/zinc/62/98/37/573629837.db2.gz REBPQLZOHKVMAE-NSHDSACASA-N 0 0 189.258 2.329 10 0 AEAERN Cc1ccc2oc(C=O)c(C=O)c2c1 75578260 573629847 /nfs/dbraw/zinc/62/98/47/573629847.db2.gz ADUDJNQKCYXFTQ-UHFFFAOYSA-N 0 0 188.182 2.366 10 0 AEAERN C[C@H]1CCC[C@@]1(O)Cc1nccs1 86826856 573629887 /nfs/dbraw/zinc/62/98/87/573629887.db2.gz UMDZVRSCQUYNDA-WCBMZHEXSA-N 0 0 197.303 2.237 10 0 AEAERN Cc1cccc(-c2ccn(C)n2)c1O 75578625 573629902 /nfs/dbraw/zinc/62/99/02/573629902.db2.gz JIBSONXBHNKIJW-UHFFFAOYSA-N 0 0 188.230 2.101 10 0 AEAERN COC1(c2ccccc2O)CCC1 259535469 573629908 /nfs/dbraw/zinc/62/99/08/573629908.db2.gz BKDKCZIZEOQXMI-UHFFFAOYSA-N 0 0 178.231 2.418 10 0 AEAERN C[C@@H](c1ccccc1)n1ccccc1=O 96547358 573630020 /nfs/dbraw/zinc/63/00/20/573630020.db2.gz DJQJKOCKECAYCA-NSHDSACASA-N 0 0 199.253 2.458 10 0 AEAERN Nc1cc(F)c2cccc(O)c2c1 259533088 573630021 /nfs/dbraw/zinc/63/00/21/573630021.db2.gz BEIWCHMDKXISRX-UHFFFAOYSA-N 0 0 177.178 2.267 10 0 AEAERN Cc1cccc2c1[C@@H](C)N(C#N)CC2 238459791 573630059 /nfs/dbraw/zinc/63/00/59/573630059.db2.gz YIGZJCWGYMNUBT-SNVBAGLBSA-N 0 0 186.258 2.395 10 0 AEAERN Cc1cc(C=O)cc(C=O)c1Cl 75576146 573630071 /nfs/dbraw/zinc/63/00/71/573630071.db2.gz HEXMENUKPRWRDP-UHFFFAOYSA-N 0 0 182.606 2.273 10 0 AEAERN OC1(Cc2nccs2)CCCCC1 86826516 573630081 /nfs/dbraw/zinc/63/00/81/573630081.db2.gz JEXJXQKLVYJPOZ-UHFFFAOYSA-N 0 0 197.303 2.381 10 0 AEAERN CC[C@H]1c2ccc(F)cc2N[C@@H]1CO 107463627 573630102 /nfs/dbraw/zinc/63/01/02/573630102.db2.gz CRTVETHQLNZXNA-GZMMTYOYSA-N 0 0 195.237 2.106 10 0 AEAERN CC(=O)COCc1ccc(C)cc1C 96541969 573630142 /nfs/dbraw/zinc/63/01/42/573630142.db2.gz JOKHROKGRKXWDW-UHFFFAOYSA-N 0 0 192.258 2.409 10 0 AEAERN Cc1cscc1[C@@]1(O)C[C@@H]1C 86817002 573630197 /nfs/dbraw/zinc/63/01/97/573630197.db2.gz TYCOXOCMGWYBLO-IONNQARKSA-N 0 0 168.261 2.284 10 0 AEAERN CC[C@@](O)(Cc1nccs1)C1CC1 86826847 573630215 /nfs/dbraw/zinc/63/02/15/573630215.db2.gz FKJYFZBUAFDAAM-SNVBAGLBSA-N 0 0 197.303 2.237 10 0 AEAERN OCCc1cc2ccccc2cc1O 75578459 573630246 /nfs/dbraw/zinc/63/02/46/573630246.db2.gz LRDDLWPQWDVMPV-UHFFFAOYSA-N 0 0 188.226 2.080 10 0 AEAERN CC1=C[C@](C)(O)c2ccc(C=O)cc21 75578523 573630251 /nfs/dbraw/zinc/63/02/51/573630251.db2.gz BTKRSVPKUIAAEB-LBPRGKRZSA-N 0 0 188.226 2.124 10 0 AEAERN C=Cc1cc(C)c2ncc(C=O)n2c1 238459856 573630305 /nfs/dbraw/zinc/63/03/05/573630305.db2.gz WGAXQBKQBVBVMG-UHFFFAOYSA-N 0 0 186.214 2.098 10 0 AEAERN Cc1cccc2oc(C=O)c(C=O)c12 75578261 573630313 /nfs/dbraw/zinc/63/03/13/573630313.db2.gz WDNBKUJHHUFUSZ-UHFFFAOYSA-N 0 0 188.182 2.366 10 0 AEAERN C[C@@H]1CC[C@H](c2nsc(N)n2)C1 83782484 573630318 /nfs/dbraw/zinc/63/03/18/573630318.db2.gz NAQPHCRCXAUBQT-RITPCOANSA-N 0 0 183.280 2.024 10 0 AEAERN CC(C)[C@@](C)(O)Cc1nccs1 86826568 573630351 /nfs/dbraw/zinc/63/03/51/573630351.db2.gz AURHFEBLYSRBFQ-VIFPVBQESA-N 0 0 185.292 2.093 10 0 AEAERN Cc1c2ncc[nH]c-2c(C)c(=O)c1C 75578615 573630378 /nfs/dbraw/zinc/63/03/78/573630378.db2.gz PRUBWYYQLNPJQB-UHFFFAOYSA-N 0 0 188.230 2.261 10 0 AEAERN C[C@@H]1CC[C@@](O)(Cc2nccs2)C1 86826818 573630395 /nfs/dbraw/zinc/63/03/95/573630395.db2.gz ZZZXHCHIYPFCMR-SCZZXKLOSA-N 0 0 197.303 2.237 10 0 AEAERN O[C@H](Cc1nccs1)c1ccoc1 86826719 573630403 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573634958 /nfs/dbraw/zinc/63/49/58/573634958.db2.gz GYJIZZLSLHEUQC-SECBINFHSA-N 0 0 175.231 2.227 10 0 AEAERN C[C@H]1CC[C@H](C(=O)C2CCOCC2)C1 83784789 573635015 /nfs/dbraw/zinc/63/50/15/573635015.db2.gz AZDWYSSZGCPTJA-ONGXEEELSA-N 0 0 196.290 2.418 10 0 AEAERN CC[C@H](O)[C@H]1CC[C@H](C)C1 83785659 573635022 /nfs/dbraw/zinc/63/50/22/573635022.db2.gz XVBXWFUSZXAKJZ-CIUDSAMLSA-N 0 0 142.242 2.194 10 0 AEAERN CC[C@H](O)[C@@H]1CC[C@H](C)C1 83785654 573635042 /nfs/dbraw/zinc/63/50/42/573635042.db2.gz XVBXWFUSZXAKJZ-YIZRAAEISA-N 0 0 142.242 2.194 10 0 AEAERN C[C@H]1CCC[C@H]1CCCO 238461116 573635109 /nfs/dbraw/zinc/63/51/09/573635109.db2.gz XTIAGCXLVFFSPB-IUCAKERBSA-N 0 0 142.242 2.195 10 0 AEAERN C[C@H]1CC[C@H](C(=O)c2cnn(C)c2)C1 83784281 573635110 /nfs/dbraw/zinc/63/51/10/573635110.db2.gz YAAODHJFLSWSHN-IUCAKERBSA-N 0 0 192.262 2.039 10 0 AEAERN CCCc1cc(N)nn1C(C)(C)C 257834962 573634344 /nfs/dbraw/zinc/63/43/44/573634344.db2.gz KVKASDPWMKNJBH-UHFFFAOYSA-N 0 0 181.283 2.173 10 0 AEAERN C[C@H](C[NH3+])c1ccc([S-])cc1 238466787 573636542 /nfs/dbraw/zinc/63/65/42/573636542.db2.gz JCJSEVZOZHCSAT-SSDOTTSWSA-N 0 0 167.277 2.038 10 0 AEAERN CC(C)(CC(=O)[O-])[C@H]([NH3+])C1CCCC1 259147144 573636562 /nfs/dbraw/zinc/63/65/62/573636562.db2.gz CZJNJPCGSIVJQR-SNVBAGLBSA-N 0 0 199.294 2.005 10 0 AEAERN Cc1cccc2c1N[C@@H]1OCC[C@]21C 238460772 573636571 /nfs/dbraw/zinc/63/65/71/573636571.db2.gz OWIXFJADQVENIO-VXGBXAGGSA-N 0 0 189.258 2.425 10 0 AEAERN Cc1cc(N)c(O)c(C(=O)C(C)C)c1 75581225 573636632 /nfs/dbraw/zinc/63/66/32/573636632.db2.gz QIYSBSYAPLCJQO-UHFFFAOYSA-N 0 0 193.246 2.122 10 0 AEAERN C[C@@H]1CC[C@@H](C(=O)c2nccn2C)C1 83784611 573635870 /nfs/dbraw/zinc/63/58/70/573635870.db2.gz SFEDLCZFBFIYHS-RKDXNWHRSA-N 0 0 192.262 2.039 10 0 AEAERN C[C@@H]1CC[C@H](C(=O)c2ccnn2C)C1 83785148 573635882 /nfs/dbraw/zinc/63/58/82/573635882.db2.gz CGCUGSCHHDHIOU-BDAKNGLRSA-N 0 0 192.262 2.039 10 0 AEAERN O[C@H]1C=C(Cc2nccs2)CCC1 86828486 573635884 /nfs/dbraw/zinc/63/58/84/573635884.db2.gz RJONLOSKMWNMNT-SECBINFHSA-N 0 0 195.287 2.157 10 0 AEAERN CCNc1nc([C@@H]2CC[C@@H](C)C2)no1 83790089 573635905 /nfs/dbraw/zinc/63/59/05/573635905.db2.gz JSRSVOSPIOLJGG-HTQZYQBOSA-N 0 0 195.266 2.405 10 0 AEAERN C[C@H](O)c1cccc2c1CCS2 258074628 573635937 /nfs/dbraw/zinc/63/59/37/573635937.db2.gz UWGKHPJGTHUFNK-ZETCQYMHSA-N 0 0 180.272 2.388 10 0 AEAERN CC(C)(C)Sc1ccc(N)c(N)n1 86830245 573635946 /nfs/dbraw/zinc/63/59/46/573635946.db2.gz QRUAMVQDRGMZSQ-UHFFFAOYSA-N 0 0 197.307 2.137 10 0 AEAERN O=C1CC[C@H](Cc2nccs2)C1 86828261 573635959 /nfs/dbraw/zinc/63/59/59/573635959.db2.gz UOBCDOFDZUVZPY-ZETCQYMHSA-N 0 0 181.260 2.055 10 0 AEAERN C[C@@H]1CC[C@H](c2nccc(C=O)n2)C1 83790192 573635975 /nfs/dbraw/zinc/63/59/75/573635975.db2.gz HSPZOCQGSPNFBK-BDAKNGLRSA-N 0 0 190.246 2.193 10 0 AEAERN CC(C)C(=O)Nc1cnccc1Cl 96604427 573635983 /nfs/dbraw/zinc/63/59/83/573635983.db2.gz LBPZCIYMBZJZAP-UHFFFAOYSA-N 0 0 198.653 2.330 10 0 AEAERN C/C(=C/c1ccc(F)c(F)c1)CO 211977954 573635994 /nfs/dbraw/zinc/63/59/94/573635994.db2.gz RELTWOLXMOYUGM-DAXSKMNVSA-N 0 0 184.185 2.360 10 0 AEAERN O[C@H]1CCC[C@@H](Cc2nccs2)C1 86828454 573636013 /nfs/dbraw/zinc/63/60/13/573636013.db2.gz AWALWMMPFKONOK-BDAKNGLRSA-N 0 0 197.303 2.237 10 0 AEAERN C[C@@H]1CC[C@H](C(=O)C2CCOCC2)C1 83784787 573636051 /nfs/dbraw/zinc/63/60/51/573636051.db2.gz AZDWYSSZGCPTJA-KOLCDFICSA-N 0 0 196.290 2.418 10 0 AEAERN CC(=O)c1nc([C@H]2CC[C@@H](C)C2)no1 83790928 573636060 /nfs/dbraw/zinc/63/60/60/573636060.db2.gz FCEUFKNJQWAAIV-SVRRBLITSA-N 0 0 194.234 2.176 10 0 AEAERN C[C@@H]1CC[C@@H](C(=O)C2CCOCC2)C1 83784791 573636074 /nfs/dbraw/zinc/63/60/74/573636074.db2.gz AZDWYSSZGCPTJA-MWLCHTKSSA-N 0 0 196.290 2.418 10 0 AEAERN Cc1noc2cc(C(C)(C)O)ccc12 258072699 573636114 /nfs/dbraw/zinc/63/61/14/573636114.db2.gz MHYPUWSLZFQQLW-UHFFFAOYSA-N 0 0 191.230 2.364 10 0 AEAERN Cc1cc(N)nc([C@H]2CC[C@H](C)C2)n1 83789676 573636116 /nfs/dbraw/zinc/63/61/16/573636116.db2.gz MOJAFPCIDQCLKO-CBAPKCEASA-N 0 0 191.278 2.271 10 0 AEAERN CNc1ccc2[nH]c(C(C)C)nc2n1 86830918 573636123 /nfs/dbraw/zinc/63/61/23/573636123.db2.gz BFYAZUSWDIEFOL-UHFFFAOYSA-N 0 0 190.250 2.123 10 0 AEAERN O=C1CCCC[C@@H]1Cc1nccs1 86828135 573636151 /nfs/dbraw/zinc/63/61/51/573636151.db2.gz BRPNTKWSOIQQRS-MRVPVSSYSA-N 0 0 195.287 2.445 10 0 AEAERN Cc1nc2cc(N)ccc2nc1Cl 75581516 573636184 /nfs/dbraw/zinc/63/61/84/573636184.db2.gz GFOWSJAHEPCGMN-UHFFFAOYSA-N 0 0 193.637 2.174 10 0 AEAERN c1ncc(C2CCCC2)o1 258521003 573636223 /nfs/dbraw/zinc/63/62/23/573636223.db2.gz GGUDKCGBVYVMMS-UHFFFAOYSA-N 0 0 137.182 2.332 10 0 AEAERN CCc1nc2oc(Cl)nc2cc1N 258073249 573636231 /nfs/dbraw/zinc/63/62/31/573636231.db2.gz LQTMALPGUTXEDW-UHFFFAOYSA-N 0 0 197.625 2.021 10 0 AEAERN CC(=O)[C@H](C)Nc1ccccc1C 238466793 573636276 /nfs/dbraw/zinc/63/62/76/573636276.db2.gz YOTOFWKYPJLZBR-VIFPVBQESA-N 0 0 177.247 2.384 10 0 AEAERN CC[C@H]1CCC[C@H](c2noc(N)n2)C1 83790047 573636280 /nfs/dbraw/zinc/63/62/80/573636280.db2.gz RBATYVHLUAFVKH-YUMQZZPRSA-N 0 0 195.266 2.336 10 0 AEAERN Cn1ncc2cc(C=O)c(Cl)cc21 259536016 573636281 /nfs/dbraw/zinc/63/62/81/573636281.db2.gz SCDPZBPJQNBUHF-UHFFFAOYSA-N 0 0 194.621 2.039 10 0 AEAERN C[C@@]1(O)C=Cc2cc(O)ccc2CC1 238461067 573636304 /nfs/dbraw/zinc/63/63/04/573636304.db2.gz JLCFVXROIZRLTL-LBPRGKRZSA-N 0 0 190.242 2.103 10 0 AEAERN O=Cc1cccc([C@H]2C[C@@H]2F)c1 259616933 573636308 /nfs/dbraw/zinc/63/63/08/573636308.db2.gz DXCWAXXJSVFTAC-ZJUUUORDSA-N 0 0 164.179 2.325 10 0 AEAERN Cc1ccc(O)c2c1[C@H](C)C[C@]2(C)O 75580863 573636310 /nfs/dbraw/zinc/63/63/10/573636310.db2.gz DRNKJSKUJLIMAN-PELKAZGASA-N 0 0 192.258 2.415 10 0 AEAERN C[C@@H]1CCC[C@H](C[C@@H]2COC[C@@H]2O)C1 687964407 573636318 /nfs/dbraw/zinc/63/63/18/573636318.db2.gz COIIGMQEOCUYPA-KXNHARMFSA-N 0 0 198.306 2.210 10 0 AEAERN CCC[C@@H](C)c1nnc([C@H](C)NC)o1 50618521 573636324 /nfs/dbraw/zinc/63/63/24/573636324.db2.gz DELPEIYLJRLUSP-SFYZADRCSA-N 0 0 197.282 2.254 10 0 AEAERN Clc1ccc([C@H]2CCNO2)cc1 257834909 573636345 /nfs/dbraw/zinc/63/63/45/573636345.db2.gz KTJNGYRVRIMCGP-SECBINFHSA-N 0 0 183.638 2.306 10 0 AEAERN O=Cc1cccc([C@@H]2C[C@@H]2F)c1 259616920 573636349 /nfs/dbraw/zinc/63/63/49/573636349.db2.gz DXCWAXXJSVFTAC-UWVGGRQHSA-N 0 0 164.179 2.325 10 0 AEAERN C[C@@H]1CC[C@H](c2nc(C=O)c[nH]2)C1 83791148 573636390 /nfs/dbraw/zinc/63/63/90/573636390.db2.gz AGBFGQHMSPSCFF-SFYZADRCSA-N 0 0 178.235 2.126 10 0 AEAERN O[C@@H]1C=C(Cc2nccs2)CCC1 86828487 573636409 /nfs/dbraw/zinc/63/64/09/573636409.db2.gz RJONLOSKMWNMNT-VIFPVBQESA-N 0 0 195.287 2.157 10 0 AEAERN Nc1cc(Cl)c2cnoc2c1 259536122 573636416 /nfs/dbraw/zinc/63/64/16/573636416.db2.gz SDDHRLMSUWMHOG-UHFFFAOYSA-N 0 0 168.583 2.063 10 0 AEAERN CCN[C@@H](C)c1nnc([C@@H](C)CC)o1 50618858 573636443 /nfs/dbraw/zinc/63/64/43/573636443.db2.gz VXXMCNRPPHXYDL-YUMQZZPRSA-N 0 0 197.282 2.254 10 0 AEAERN COC(=O)[C@H](c1nccs1)C(C)C 96584415 573636513 /nfs/dbraw/zinc/63/65/13/573636513.db2.gz AHNLBZAUFLKGPG-ZETCQYMHSA-N 0 0 199.275 2.056 10 0 AEAERN CCC[C@@H](C)c1nnc([C@@H](C)NC)o1 50618519 573636522 /nfs/dbraw/zinc/63/65/22/573636522.db2.gz DELPEIYLJRLUSP-HTQZYQBOSA-N 0 0 197.282 2.254 10 0 AEAERN NC(=S)[C@@H]1CCc2ccccc21 83791467 573637936 /nfs/dbraw/zinc/63/79/36/573637936.db2.gz CQRVWLIDOMWHJL-SECBINFHSA-N 0 0 177.272 2.003 10 0 AEAERN CC[C@H](O)C1Cc2ccccc2C1 83799922 573637953 /nfs/dbraw/zinc/63/79/53/573637953.db2.gz YPJPRBPKTTYJHA-LBPRGKRZSA-N 0 0 176.259 2.172 10 0 AEAERN C[C@@H]1C(=O)CCc2cc(O)ccc21 259146873 573637961 /nfs/dbraw/zinc/63/79/61/573637961.db2.gz GRKZDNZOUNEWBM-ZETCQYMHSA-N 0 0 176.215 2.011 10 0 AEAERN C[C@H](O)[C@H]1CCc2ccccc21 83800138 573637962 /nfs/dbraw/zinc/63/79/62/573637962.db2.gz MEKDUGFLAOZSOQ-WCBMZHEXSA-N 0 0 162.232 2.097 10 0 AEAERN Cc1cnc2scc(N)c2c1C 75584698 573637236 /nfs/dbraw/zinc/63/72/36/573637236.db2.gz RHIGWHPTYARQQK-UHFFFAOYSA-N 0 0 178.260 2.495 10 0 AEAERN CC[C@H](O)[C@@H](OC)c1ccccc1 124774583 573637249 /nfs/dbraw/zinc/63/72/49/573637249.db2.gz DXBJWUPOZKYBSR-QWRGUYRKSA-N 0 0 180.247 2.145 10 0 AEAERN OCc1cc2c(O)cccc2s1 257838076 573637251 /nfs/dbraw/zinc/63/72/51/573637251.db2.gz BADGVFUROCEOTA-UHFFFAOYSA-N 0 0 180.228 2.099 10 0 AEAERN O=C1CCC[C@@H]1Cc1nccs1 86828137 573637259 /nfs/dbraw/zinc/63/72/59/573637259.db2.gz KHPBBKSSBZUMBU-SSDOTTSWSA-N 0 0 181.260 2.055 10 0 AEAERN O=Cc1cccc([C@@H]2C[C@H]2F)c1 259616926 573637273 /nfs/dbraw/zinc/63/72/73/573637273.db2.gz DXCWAXXJSVFTAC-VHSXEESVSA-N 0 0 164.179 2.325 10 0 AEAERN O=c1[nH]cc(-c2ccc(F)c(F)c2)[nH]1 259147490 573637308 /nfs/dbraw/zinc/63/73/08/573637308.db2.gz SJKDZXGYGXISDW-UHFFFAOYSA-N 0 0 196.156 2.061 10 0 AEAERN CCO[C@@H]1C[C@H]1[C@@H](O)C1=CCCCC1 689978323 573637309 /nfs/dbraw/zinc/63/73/09/573637309.db2.gz IICFIDJAQFVZSV-UTUOFQBUSA-N 0 0 196.290 2.273 10 0 AEAERN CCc1cc(N)c(C(C)=O)s1 75590720 573637332 /nfs/dbraw/zinc/63/73/32/573637332.db2.gz UBAQGOLXEWQSIH-UHFFFAOYSA-N 0 0 169.249 2.095 10 0 AEAERN C[C@@H]1C(=O)CC[C@@H]1Cc1nccs1 86828280 573637346 /nfs/dbraw/zinc/63/73/46/573637346.db2.gz IHRRBZTYEOWJFQ-JGVFFNPUSA-N 0 0 195.287 2.301 10 0 AEAERN CSc1nc(C)cn1C(C)C 257845694 573637347 /nfs/dbraw/zinc/63/73/47/573637347.db2.gz AHEJBSIOJVASJI-UHFFFAOYSA-N 0 0 170.281 2.494 10 0 AEAERN CC[C@@H](O)[C@@H]1CCOc2ccccc21 83799652 573637348 /nfs/dbraw/zinc/63/73/48/573637348.db2.gz GTGGBXKKMNYRQD-MWLCHTKSSA-N 0 0 192.258 2.324 10 0 AEAERN Cc1ncc(C(F)F)c(F)c1C=O 238461244 573637387 /nfs/dbraw/zinc/63/73/87/573637387.db2.gz OWZMNVOIORQUKA-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN CO[C@](C)(CO)CCc1ccccc1 257845058 573637428 /nfs/dbraw/zinc/63/74/28/573637428.db2.gz NLBAHOHCSVBRLN-LBPRGKRZSA-N 0 0 194.274 2.017 10 0 AEAERN O=C1CCCC[C@H]1Cc1nccs1 86828134 573637433 /nfs/dbraw/zinc/63/74/33/573637433.db2.gz BRPNTKWSOIQQRS-QMMMGPOBSA-N 0 0 195.287 2.445 10 0 AEAERN CC[C@H]1CC[C@H](C(=N)OC)C1 83802724 573637451 /nfs/dbraw/zinc/63/74/51/573637451.db2.gz FXRJVLURAPZNKT-YUMQZZPRSA-N 0 0 155.241 2.436 10 0 AEAERN COCNc1cc(C)c(OC)cc1C 259145188 573637455 /nfs/dbraw/zinc/63/74/55/573637455.db2.gz RTQOCECPMBXHNA-UHFFFAOYSA-N 0 0 195.262 2.328 10 0 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187.246 2.071 10 0 AEAERN Cc1nc2scc(C)n2c1C 107876204 573665249 /nfs/dbraw/zinc/66/52/49/573665249.db2.gz KSWNPCAWSWFYLJ-UHFFFAOYSA-N 0 0 166.249 2.321 10 0 AEAERN Cc1ccc2c(c1)N[C@@H](C)CC(=O)N2 83823488 573665263 /nfs/dbraw/zinc/66/52/63/573665263.db2.gz OGKRSLIKGOTZBJ-QMMMGPOBSA-N 0 0 190.246 2.138 10 0 AEAERN C[C@@H]1CC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 238475357 573665297 /nfs/dbraw/zinc/66/52/97/573665297.db2.gz JPJYMDGCZDACNK-YUVUMCQZSA-N 0 0 164.248 2.258 10 0 AEAERN Cc1ccc2c(c1)NC[C@H](C)N2 83823795 573665303 /nfs/dbraw/zinc/66/53/03/573665303.db2.gz AEXQAPVYAACTNI-QMMMGPOBSA-N 0 0 162.236 2.221 10 0 AEAERN CC(=O)[C@@H]1CCCC1(C)C 86869221 573665429 /nfs/dbraw/zinc/66/54/29/573665429.db2.gz COQNBWSAGJABEB-QMMMGPOBSA-N 0 0 140.226 2.402 10 0 AEAERN C[C@@H]1COc2c1cccc2[C@@H](C)O 258084087 573665451 /nfs/dbraw/zinc/66/54/51/573665451.db2.gz MYPUTLWYLYWXHA-HTQZYQBOSA-N 0 0 178.231 2.236 10 0 AEAERN CN(c1ccccc1)C(C)(C)CCO 258861589 573665459 /nfs/dbraw/zinc/66/54/59/573665459.db2.gz CENZGQGIHPJGTA-UHFFFAOYSA-N 0 0 193.290 2.284 10 0 AEAERN CC[C@H]1NC(=O)C[C@@]12CCCC2(C)C 86870074 573665460 /nfs/dbraw/zinc/66/54/60/573665460.db2.gz YJJQUKHRWMBNHK-SKDRFNHKSA-N 0 0 195.306 2.481 10 0 AEAERN C[C@@H]([NH3+])[C@@]1(CC(=O)[O-])CCCC1(C)C 86870006 573665493 /nfs/dbraw/zinc/66/54/93/573665493.db2.gz DRBFAJOWGREIAE-KCJUWKMLSA-N 0 0 199.294 2.005 10 0 AEAERN CCC(=O)Nc1ccc(Cl)c(O)c1 78885433 573665497 /nfs/dbraw/zinc/66/54/97/573665497.db2.gz XDDJHOTXVUIULR-UHFFFAOYSA-N 0 0 199.637 2.394 10 0 AEAERN C[C@@H]1CCc2cccc(O)c2O1 144552714 573665528 /nfs/dbraw/zinc/66/55/28/573665528.db2.gz CEFLJJICIGBXOQ-SSDOTTSWSA-N 0 0 164.204 2.106 10 0 AEAERN Cc1ccc(SCC(N)=S)cc1 83824746 573665560 /nfs/dbraw/zinc/66/55/60/573665560.db2.gz VVMNCCTXJJWVPP-UHFFFAOYSA-N 0 0 197.328 2.373 10 0 AEAERN Nc1cnccc1[C@@H]1CCCS1 259545812 573665626 /nfs/dbraw/zinc/66/56/26/573665626.db2.gz CCNNNIXMNAIQLN-VIFPVBQESA-N 0 0 180.276 2.232 10 0 AEAERN CC1(C)CCC[C@]1(N)C(F)(F)F 86869148 573665655 /nfs/dbraw/zinc/66/56/55/573665655.db2.gz ZHWYUQWCBHRZJN-SSDOTTSWSA-N 0 0 181.201 2.456 10 0 AEAERN Cc1ccc2c(c1)c(=O)[nH]n2C(C)C 257844474 573665683 /nfs/dbraw/zinc/66/56/83/573665683.db2.gz NGYHTNPPUXFZIM-UHFFFAOYSA-N 0 0 190.246 2.219 10 0 AEAERN C[C@]12C(=O)C[C@H]1Cc1ccccc12 238474349 573665691 /nfs/dbraw/zinc/66/56/91/573665691.db2.gz AVDKJNWGNWDDSH-SKDRFNHKSA-N 0 0 172.227 2.089 10 0 AEAERN C[C@@H]1CC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]21 238475374 573665730 /nfs/dbraw/zinc/66/57/30/573665730.db2.gz VCBQYXGCNKTPHX-YUVUMCQZSA-N 0 0 162.232 2.034 10 0 AEAERN Nc1cccc(Cc2ccncc2)c1 83824807 573665740 /nfs/dbraw/zinc/66/57/40/573665740.db2.gz VSYORICKBNTAHP-UHFFFAOYSA-N 0 0 184.242 2.255 10 0 AEAERN Cc1cn2c3c(sc2n1)CCC3 107877280 573665751 /nfs/dbraw/zinc/66/57/51/573665751.db2.gz ZIIAQVBMSDKADU-UHFFFAOYSA-N 0 0 178.260 2.193 10 0 AEAERN Cc1[nH]c(=O)n(C2CCCCC2)c1C 238475353 573665770 /nfs/dbraw/zinc/66/57/70/573665770.db2.gz GHQQKVWIDCKEJQ-UHFFFAOYSA-N 0 0 194.278 2.298 10 0 AEAERN C[C@H]1C[C@H](c2ccccc2)NC(=O)O1 238474319 573667534 /nfs/dbraw/zinc/66/75/34/573667534.db2.gz PMXSIEPNPXPNHX-WCBMZHEXSA-N 0 0 191.230 2.246 10 0 AEAERN CC1=CCC[C@@H]([C@H](C)O)C1 238474250 573667555 /nfs/dbraw/zinc/66/75/55/573667555.db2.gz OARFWDPZJDKCCO-DTWKUNHWSA-N 0 0 140.226 2.114 10 0 AEAERN CC[C@@H]1NC(=O)C[C@]12CCCC2(C)C 86870071 573667560 /nfs/dbraw/zinc/66/75/60/573667560.db2.gz YJJQUKHRWMBNHK-JOYOIKCWSA-N 0 0 195.306 2.481 10 0 AEAERN CCCCc1nc(C)c(C)c(N)n1 83824667 573667578 /nfs/dbraw/zinc/66/75/78/573667578.db2.gz KUYJDWMBYOHYHK-UHFFFAOYSA-N 0 0 179.267 2.018 10 0 AEAERN COc1ccc(C)cc1C1(C)COC1 258509825 573667598 /nfs/dbraw/zinc/66/75/98/573667598.db2.gz FVIBGAQQFZXDGP-UHFFFAOYSA-N 0 0 192.258 2.292 10 0 AEAERN C[C@@H]1CC(=O)[C@H]2C[C@@]2(C)C1 238475306 573667610 /nfs/dbraw/zinc/66/76/10/573667610.db2.gz YYFAPXFPSDRYRB-ZXFLCMHBSA-N 0 0 138.210 2.012 10 0 AEAERN Cc1ccc([C@H]2NC(=O)O[C@@H]2C)cc1 144513929 573667633 /nfs/dbraw/zinc/66/76/33/573667633.db2.gz VXLKSKASXCLDKF-SCZZXKLOSA-N 0 0 191.230 2.164 10 0 AEAERN C[C@@H]1NC(=O)C[C@@]12CCCC2(C)C 86870063 573667651 /nfs/dbraw/zinc/66/76/51/573667651.db2.gz FDHBFOQCGMWLIB-KWQFWETISA-N 0 0 181.279 2.091 10 0 AEAERN CONCc1cc(C)c(C)cc1F 258075699 573667699 /nfs/dbraw/zinc/66/76/99/573667699.db2.gz MQMGJOQMNVBBDO-UHFFFAOYSA-N 0 0 183.226 2.094 10 0 AEAERN CC1(C)CCC[C@]12CC(=O)NC2(C)C 86870067 573667710 /nfs/dbraw/zinc/66/77/10/573667710.db2.gz FXUAUHCYZRHAEZ-LBPRGKRZSA-N 0 0 195.306 2.481 10 0 AEAERN Cc1cnc2ccc(CO)cc2c1 144608943 573667093 /nfs/dbraw/zinc/66/70/93/573667093.db2.gz XQULWEVJPJDPLQ-UHFFFAOYSA-N 0 0 173.215 2.036 10 0 AEAERN C[C@@H](O)[C@@H]1CCCC1(C)C 86869433 573667106 /nfs/dbraw/zinc/66/71/06/573667106.db2.gz VFGAYOZSNWKMEB-SFYZADRCSA-N 0 0 142.242 2.194 10 0 AEAERN ONCc1cc(F)cc(F)c1Cl 258075743 573667130 /nfs/dbraw/zinc/66/71/30/573667130.db2.gz MSQVCUTVQBDGCH-UHFFFAOYSA-N 0 0 193.580 2.097 10 0 AEAERN Cc1ccnc2c(NC=O)cccc12 238475274 573667149 /nfs/dbraw/zinc/66/71/49/573667149.db2.gz GUZMFIUSQXTCMG-UHFFFAOYSA-N 0 0 186.214 2.112 10 0 AEAERN Cc1nc2c(C)cccn2c1C 107875794 573667159 /nfs/dbraw/zinc/66/71/59/573667159.db2.gz ROORIILXCIPWAC-UHFFFAOYSA-N 0 0 160.220 2.260 10 0 AEAERN OC1(c2ccc3sncc3c2)CC1 258075713 573667193 /nfs/dbraw/zinc/66/71/93/573667193.db2.gz MRFGRYXNHUHATM-UHFFFAOYSA-N 0 0 191.255 2.278 10 0 AEAERN Cc1cccc(C[C@H]2CCCO2)c1N 257843937 573667243 /nfs/dbraw/zinc/66/72/43/573667243.db2.gz NCCDCXKAWMJOOR-LLVKDONJSA-N 0 0 191.274 2.299 10 0 AEAERN Cc1ccc(CON)cc1C1CC1 238474913 573667261 /nfs/dbraw/zinc/66/72/61/573667261.db2.gz PXYVAZJWSOCBLT-UHFFFAOYSA-N 0 0 177.247 2.263 10 0 AEAERN C[C@H]([NH3+])[C@]1(CC(=O)[O-])CCCC1(C)C 86870001 573667263 /nfs/dbraw/zinc/66/72/63/573667263.db2.gz DRBFAJOWGREIAE-GZMMTYOYSA-N 0 0 199.294 2.005 10 0 AEAERN CCCn1nc2c(c1N)C(C)(C)CC2 86870353 573667306 /nfs/dbraw/zinc/66/73/06/573667306.db2.gz BGUBNPPDYINDPH-UHFFFAOYSA-N 0 0 193.294 2.099 10 0 AEAERN CN(C)c1cccc2c1NCCC2 83823569 573667316 /nfs/dbraw/zinc/66/73/16/573667316.db2.gz YIHMMPIWZIPPQL-UHFFFAOYSA-N 0 0 176.263 2.111 10 0 AEAERN Cc1c[nH+]c2[nH]c3ccccc3n12 238474447 573667368 /nfs/dbraw/zinc/66/73/68/573667368.db2.gz QNEBYLYKGJXHAR-ZETCQYMHSA-N 0 0 171.203 2.313 10 0 AEAERN CC[C@H]1NC(=O)C[C@]12CCCC2(C)C 86870069 573667385 /nfs/dbraw/zinc/66/73/85/573667385.db2.gz YJJQUKHRWMBNHK-BXKDBHETSA-N 0 0 195.306 2.481 10 0 AEAERN Cc1c(Cl)ccn2c[nH+]cc12 238474267 573667396 /nfs/dbraw/zinc/66/73/96/573667396.db2.gz TYIMCBVGKFARAV-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN C[C@]12C(=O)C[C@@H]1Cc1ccccc12 238474636 573667413 /nfs/dbraw/zinc/66/74/13/573667413.db2.gz AVDKJNWGNWDDSH-CABZTGNLSA-N 0 0 172.227 2.089 10 0 AEAERN [NH3+]CC1(CC(=O)[O-])CCCCCCC1 83823365 573667420 /nfs/dbraw/zinc/66/74/20/573667420.db2.gz UATAKGOASVDMCQ-UHFFFAOYSA-N 0 0 199.294 2.151 10 0 AEAERN C[C@H]1NC(=O)C[C@@]12CCCC2(C)C 86870062 573667432 /nfs/dbraw/zinc/66/74/32/573667432.db2.gz FDHBFOQCGMWLIB-KCJUWKMLSA-N 0 0 181.279 2.091 10 0 AEAERN COc1c(O)cc([C@@H](C)O)c(C)c1C 258075694 573667441 /nfs/dbraw/zinc/66/74/41/573667441.db2.gz MQIAPYDTQKLZDB-MRVPVSSYSA-N 0 0 196.246 2.071 10 0 AEAERN Cc1cccc(C[C@@H]2CCCO2)c1N 257843939 573667490 /nfs/dbraw/zinc/66/74/90/573667490.db2.gz NCCDCXKAWMJOOR-NSHDSACASA-N 0 0 191.274 2.299 10 0 AEAERN c1c[nH]c(-c2cn3ccsc3n2)c1 107875982 573667491 /nfs/dbraw/zinc/66/74/91/573667491.db2.gz LMTPFBOYRZGIIL-UHFFFAOYSA-N 0 0 189.243 2.391 10 0 AEAERN Nc1cnccc1[C@H]1CCCS1 259545804 573667769 /nfs/dbraw/zinc/66/77/69/573667769.db2.gz CCNNNIXMNAIQLN-SECBINFHSA-N 0 0 180.276 2.232 10 0 AEAERN C[C@H]1Cc2cc([C@@H](C)CO)ccc2O1 258075748 573667803 /nfs/dbraw/zinc/66/78/03/573667803.db2.gz MSSIFFPEYZXQCU-IUCAKERBSA-N 0 0 192.258 2.106 10 0 AEAERN CC[C@@H]1NC(=O)C[C@@]12CCCC2(C)C 86870076 573667917 /nfs/dbraw/zinc/66/79/17/573667917.db2.gz YJJQUKHRWMBNHK-CABZTGNLSA-N 0 0 195.306 2.481 10 0 AEAERN Cc1ccc(CON)cc1Cl 238474940 573667934 /nfs/dbraw/zinc/66/79/34/573667934.db2.gz FNJTUWTZHXBRHH-UHFFFAOYSA-N 0 0 171.627 2.039 10 0 AEAERN C[C@H]1NC(=O)C[C@]12CCCC2(C)C 86870058 573667959 /nfs/dbraw/zinc/66/79/59/573667959.db2.gz FDHBFOQCGMWLIB-LDYMZIIASA-N 0 0 181.279 2.091 10 0 AEAERN CC1(C)CCC[C@]12C[C@@H](O)CCO2 86869278 573668049 /nfs/dbraw/zinc/66/80/49/573668049.db2.gz OBBUORBSNTYLQZ-ONGXEEELSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@H](O)[C@H]1C=CCCCC1 238474489 573668071 /nfs/dbraw/zinc/66/80/71/573668071.db2.gz MKFOZUDUGFBBNQ-IUCAKERBSA-N 0 0 140.226 2.114 10 0 AEAERN CC(C)OC[C@H](C)Nc1ccccn1 308667356 573668145 /nfs/dbraw/zinc/66/81/45/573668145.db2.gz TWVMHKFEJAUYNX-JTQLQIEISA-N 0 0 194.278 2.307 10 0 AEAERN C[C@@H]([NH3+])[C@]1(CC(=O)[O-])CCCC1(C)C 86870003 573668155 /nfs/dbraw/zinc/66/81/55/573668155.db2.gz DRBFAJOWGREIAE-LDYMZIIASA-N 0 0 199.294 2.005 10 0 AEAERN CC1(C)CCC[C@@]12C[C@H](O)CCO2 86869272 573668173 /nfs/dbraw/zinc/66/81/73/573668173.db2.gz OBBUORBSNTYLQZ-MWLCHTKSSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@@]1(C2CCCCC2)CCOC(=O)N1 257844432 573668206 /nfs/dbraw/zinc/66/82/06/573668206.db2.gz NEUBSPATJHUGQI-NSHDSACASA-N 0 0 197.278 2.455 10 0 AEAERN C[C@H]1CCO[C@H]1c1ccccc1O 238474545 573668221 /nfs/dbraw/zinc/66/82/21/573668221.db2.gz IKKOUWPVFKYIDU-GZMMTYOYSA-N 0 0 178.231 2.490 10 0 AEAERN C[C@]12C[C@H](Cc3ccccc31)C2=O 238474669 573668226 /nfs/dbraw/zinc/66/82/26/573668226.db2.gz ROUKGIXUFWJUDF-CABZTGNLSA-N 0 0 172.227 2.089 10 0 AEAERN Cc1cn2c(C)c(C)sc2n1 107877008 573668329 /nfs/dbraw/zinc/66/83/29/573668329.db2.gz WNDNEAYOCIHCAN-UHFFFAOYSA-N 0 0 166.249 2.321 10 0 AEAERN Cc1cc(Cl)c(C)c(CCO)c1 258075650 573668349 /nfs/dbraw/zinc/66/83/49/573668349.db2.gz MOLNZUFMVRMJKU-UHFFFAOYSA-N 0 0 184.666 2.492 10 0 AEAERN CC1(C)CCC[C@@]12C[C@@H](O)CCO2 86869276 573668469 /nfs/dbraw/zinc/66/84/69/573668469.db2.gz OBBUORBSNTYLQZ-GXSJLCMTSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@@H](O)[C@H]1CCCC1(C)C 86869437 573668477 /nfs/dbraw/zinc/66/84/77/573668477.db2.gz VFGAYOZSNWKMEB-HTQZYQBOSA-N 0 0 142.242 2.194 10 0 AEAERN C[C@]1(c2ccccc2)CCC[C@H](O)O1 238467950 573675548 /nfs/dbraw/zinc/67/55/48/573675548.db2.gz XQFGSUDKUPGOGN-VXGBXAGGSA-N 0 0 192.258 2.421 10 0 AEAERN Cc1cc(=O)c(C)c(C(F)F)[nH]1 238467747 573675576 /nfs/dbraw/zinc/67/55/76/573675576.db2.gz WUUMYNAVXXFNCQ-UHFFFAOYSA-N 0 0 173.162 2.342 10 0 AEAERN OC[C@@]12CCCC[C@@H]1CCC2 107929417 573675585 /nfs/dbraw/zinc/67/55/85/573675585.db2.gz IGRKRUUTQSSECK-ZJUUUORDSA-N 0 0 154.253 2.339 10 0 AEAERN C[C@]1(c2ccccc2)CCC[C@H]1O 238467983 573675613 /nfs/dbraw/zinc/67/56/13/573675613.db2.gz APYLVHBIJHPWRT-VXGBXAGGSA-N 0 0 176.259 2.489 10 0 AEAERN Oc1ccc([C@@H]2CC[C@@H](O)C2)cc1 259548343 573676209 /nfs/dbraw/zinc/67/62/09/573676209.db2.gz CHBVDHGPNQRHAW-MWLCHTKSSA-N 0 0 178.231 2.021 10 0 AEAERN O[C@@H](CC1CCC1)c1ccccn1 83840469 573676213 /nfs/dbraw/zinc/67/62/13/573676213.db2.gz HAXYIZOITJNENC-NSHDSACASA-N 0 0 177.247 2.305 10 0 AEAERN C[C@H]1CCCc2ccc(CO)nc21 238467938 573675639 /nfs/dbraw/zinc/67/56/39/573675639.db2.gz ZWHSDHVLDZEPSA-QMMMGPOBSA-N 0 0 177.247 2.014 10 0 AEAERN C[C@@H]1[C@@H]2[C@H](O)CCCCC[C@H]12 238468558 573675664 /nfs/dbraw/zinc/67/56/64/573675664.db2.gz TTYAIHXKSQBGDJ-JLIMGVALSA-N 0 0 154.253 2.194 10 0 AEAERN OC1([C@@H]2CCCCS2)CCC1 258075898 573675666 /nfs/dbraw/zinc/67/56/66/573675666.db2.gz QQIJJRLGWKCORL-QMMMGPOBSA-N 0 0 172.293 2.187 10 0 AEAERN CC[C@](C)(C=C(C)C)OCCO 238300047 573675667 /nfs/dbraw/zinc/67/56/67/573675667.db2.gz SPHIQXOYEXGKJG-SNVBAGLBSA-N 0 0 172.268 2.130 10 0 AEAERN O=C(CC1CCC1)[C@H]1CCCOC1 83840303 573675668 /nfs/dbraw/zinc/67/56/68/573675668.db2.gz GYDOKJRVEUFIQH-JTQLQIEISA-N 0 0 182.263 2.172 10 0 AEAERN C[C@H]1C[C@H]2CNc3ccccc3N2C1 238467685 573675693 /nfs/dbraw/zinc/67/56/93/573675693.db2.gz IHVABRGDXZXVSG-UWVGGRQHSA-N 0 0 188.274 2.327 10 0 AEAERN C[C@]1(c2ccccc2)CC[C@@H]1O 238468210 573675708 /nfs/dbraw/zinc/67/57/08/573675708.db2.gz YFGYTRLLVNXRPF-WDEREUQCSA-N 0 0 162.232 2.099 10 0 AEAERN OC1([C@H]2CCCCS2)CCC1 258075897 573675718 /nfs/dbraw/zinc/67/57/18/573675718.db2.gz QQIJJRLGWKCORL-MRVPVSSYSA-N 0 0 172.293 2.187 10 0 AEAERN Cc1cccc(Cc2cc(N)no2)c1 257846168 573675727 /nfs/dbraw/zinc/67/57/27/573675727.db2.gz AFNIAPFNERGXOW-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN O[C@@H](CC1CCC1)c1cccnc1 83840474 573675764 /nfs/dbraw/zinc/67/57/64/573675764.db2.gz JBCVDAZPVGDOQY-NSHDSACASA-N 0 0 177.247 2.305 10 0 AEAERN C[C@H](F)c1ccc(CNO)cc1 258078382 573675820 /nfs/dbraw/zinc/67/58/20/573675820.db2.gz VHAWKLYXBMCPSX-ZETCQYMHSA-N 0 0 169.199 2.196 10 0 AEAERN C=CC(=O)N[C@H]1C[Si](C)(C)C[C@H]1C 238468179 573675930 /nfs/dbraw/zinc/67/59/30/573675930.db2.gz WDWRMSOHJLNHAK-BDAKNGLRSA-N 0 0 197.354 2.015 10 0 AEAERN CSc1ccc([C@@H](C)O)c(O)c1 258078170 573675949 /nfs/dbraw/zinc/67/59/49/573675949.db2.gz MWCMMPUUTRNCQJ-ZCFIWIBFSA-N 0 0 184.260 2.167 10 0 AEAERN C[C@]1(c2ccccc2)CC[C@H]1O 238468292 573675977 /nfs/dbraw/zinc/67/59/77/573675977.db2.gz YFGYTRLLVNXRPF-GHMZBOCLSA-N 0 0 162.232 2.099 10 0 AEAERN Cc1nc2cc(C3(O)CC3)ccc2o1 258078209 573676002 /nfs/dbraw/zinc/67/60/02/573676002.db2.gz MXZYPFSYKNRWQP-UHFFFAOYSA-N 0 0 189.214 2.118 10 0 AEAERN CC(C)c1cc(F)cc(CON)c1 258078077 573676016 /nfs/dbraw/zinc/67/60/16/573676016.db2.gz MTCDJMVVWCHWDZ-UHFFFAOYSA-N 0 0 183.226 2.339 10 0 AEAERN OC1(Cc2cccc(CF)c2)CC1 258076525 573676043 /nfs/dbraw/zinc/67/60/43/573676043.db2.gz VBFLEHCHMBCQCO-UHFFFAOYSA-N 0 0 180.222 2.224 10 0 AEAERN C[C@H]1C[C@H]2C=C[C@@]3(C)C[C@@H](C1=O)[C@@H]23 238467518 573676152 /nfs/dbraw/zinc/67/61/52/573676152.db2.gz XWXODJBMYYNRHW-FOKACVKASA-N 0 0 176.259 2.424 10 0 AEAERN Cc1ccc2c(c1)[C@H](C)N(C#N)CC2 238469539 573678527 /nfs/dbraw/zinc/67/85/27/573678527.db2.gz GQORTJYKKCRFSY-JTQLQIEISA-N 0 0 186.258 2.395 10 0 AEAERN C[C@]1(C2CCCCCC2)CNC(=O)C1 257845901 573678557 /nfs/dbraw/zinc/67/85/57/573678557.db2.gz NRCUPAVNYLLEQU-GFCCVEGCSA-N 0 0 195.306 2.483 10 0 AEAERN Cc1cc2cc(C[C@H](C)O)ccc2[nH]1 258080014 573678612 /nfs/dbraw/zinc/67/86/12/573678612.db2.gz MUNYVYXRANLSTR-VIFPVBQESA-N 0 0 189.258 2.400 10 0 AEAERN 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238481308 573694474 /nfs/dbraw/zinc/69/44/74/573694474.db2.gz FVUGOWDYXKODKL-UHFFFAOYSA-N 0 0 190.202 2.020 10 0 AEAERN CC[C@@H]([NH2+]C)c1cccc(C(=O)[O-])c1 259170807 573694478 /nfs/dbraw/zinc/69/44/78/573694478.db2.gz DFDXEAXVXURXRC-SNVBAGLBSA-N 0 0 193.246 2.055 10 0 AEAERN CCC[C@H](O)[C@H](CC)OCC(F)F 130750646 573694485 /nfs/dbraw/zinc/69/44/85/573694485.db2.gz OQMUXWXIWXQIDE-YUMQZZPRSA-N 0 0 196.237 2.208 10 0 AEAERN Cc1ccc2c(c1)C[C@H](C)[C@H]2O 238481661 573694486 /nfs/dbraw/zinc/69/44/86/573694486.db2.gz JCTDWHSYEHQPHK-GZMMTYOYSA-N 0 0 162.232 2.221 10 0 AEAERN OC1(C2=CCCCCC2)CCOCC1 236478228 573694534 /nfs/dbraw/zinc/69/45/34/573694534.db2.gz UDXIMJFCSIHXOB-UHFFFAOYSA-N 0 0 196.290 2.418 10 0 AEAERN CSc1cc(F)cc(CO)c1F 258088172 573694541 /nfs/dbraw/zinc/69/45/41/573694541.db2.gz NUVSPZQINJXVKH-UHFFFAOYSA-N 0 0 190.214 2.179 10 0 AEAERN CNc1nc(C)c(Cl)s1 83883401 573694542 /nfs/dbraw/zinc/69/45/42/573694542.db2.gz LRVRGXWDAPGKBU-UHFFFAOYSA-N 0 0 162.645 2.147 10 0 AEAERN C[C@@H](O)CC[C@H]1CCOC2(CCC2)C1 86916199 573694607 /nfs/dbraw/zinc/69/46/07/573694607.db2.gz MFMQIETYMYBCMY-MNOVXSKESA-N 0 0 198.306 2.497 10 0 AEAERN OC1CCC(c2ccc[nH]2)CC1 259162933 573694626 /nfs/dbraw/zinc/69/46/26/573694626.db2.gz IUUSZADYVXOKGN-UHFFFAOYSA-N 0 0 165.236 2.033 10 0 AEAERN Cc1cc(C)c2c(c1O)C[C@H](C)C2=O 238480882 573694695 /nfs/dbraw/zinc/69/46/95/573694695.db2.gz VIKYWPWOBHBVNW-QMMMGPOBSA-N 0 0 190.242 2.384 10 0 AEAERN C[C@@H](O)C[C@@H]1CCOC2(CCCC2)C1 86913139 573694703 /nfs/dbraw/zinc/69/47/03/573694703.db2.gz MPLFQCVDUKKCTM-MNOVXSKESA-N 0 0 198.306 2.497 10 0 AEAERN Cc1c(F)ccc(CC2(O)CC2)c1F 258088152 573694741 /nfs/dbraw/zinc/69/47/41/573694741.db2.gz NULNRXQBWZMFNG-UHFFFAOYSA-N 0 0 198.212 2.341 10 0 AEAERN C[C@H]1Cc2cccc([C@@H](C)CO)c2O1 258088198 573694757 /nfs/dbraw/zinc/69/47/57/573694757.db2.gz NVMYPIGAIFOODD-IUCAKERBSA-N 0 0 192.258 2.106 10 0 AEAERN Cc1nnc(Nc2ccccc2C)o1 238481844 573694765 /nfs/dbraw/zinc/69/47/65/573694765.db2.gz 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573696276 /nfs/dbraw/zinc/69/62/76/573696276.db2.gz FTHUMTFTBUOXHG-GGYDMKNQSA-N 0 0 193.290 2.354 10 0 AEAERN C[C@H]1CCC2C(=NC(=O)NC2(C)C)C1 238480901 573696348 /nfs/dbraw/zinc/69/63/48/573696348.db2.gz QIBFFTCCEIVKFU-ZETCQYMHSA-N 0 0 194.278 2.152 10 0 AEAERN Cc1ncc(N)c(C)c1C(F)F 238481152 573696360 /nfs/dbraw/zinc/69/63/60/573696360.db2.gz BNWNKTBQQRHLDE-UHFFFAOYSA-N 0 0 172.178 2.218 10 0 AEAERN Cc1ccc2c(c1)SC(=O)[C@H](C)N2 258415171 573696376 /nfs/dbraw/zinc/69/63/76/573696376.db2.gz DKUFDPKTYYLPGE-ZETCQYMHSA-N 0 0 193.271 2.428 10 0 AEAERN C[C@@H](CO)c1ccc2c(c1)CCS2 258087935 573696415 /nfs/dbraw/zinc/69/64/15/573696415.db2.gz NRBTYZIVJRSMBN-QMMMGPOBSA-N 0 0 194.299 2.431 10 0 AEAERN C[Si](C)(C)C12[C@H]3CC(C[C@H]31)[C@@H]2CO 197477775 573696430 /nfs/dbraw/zinc/69/64/30/573696430.db2.gz HBCNUZDSZXLAMD-OIYZBFHHSA-N 0 0 196.366 2.343 10 0 AEAERN Cc1c(C(F)F)cnc(C=O)c1F 238480957 573696481 /nfs/dbraw/zinc/69/64/81/573696481.db2.gz ZKXHIJWDEFNCEY-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN Oc1cccc(Cc2cncs2)c1 108232159 573696483 /nfs/dbraw/zinc/69/64/83/573696483.db2.gz XYDXSJYRGKOJGJ-UHFFFAOYSA-N 0 0 191.255 2.440 10 0 AEAERN Cc1cc(C=O)c(C(C)(C)O)cc1C 258088254 573696595 /nfs/dbraw/zinc/69/65/95/573696595.db2.gz NWLFMRWTTDFOEC-UHFFFAOYSA-N 0 0 192.258 2.343 10 0 AEAERN CC1(C)CNc2c(N)cccc2OC1 259171362 573696624 /nfs/dbraw/zinc/69/66/24/573696624.db2.gz JDNJPMOJNYZKGV-UHFFFAOYSA-N 0 0 192.262 2.099 10 0 AEAERN S=C1CSC(c2cccnc2)=N1 259168846 573696632 /nfs/dbraw/zinc/69/66/32/573696632.db2.gz FJOUECZRLQRVFX-UHFFFAOYSA-N 0 0 194.284 2.494 10 0 AEAERN Cc1ccc([C@H](C)CO)c(F)c1 258088415 573696644 /nfs/dbraw/zinc/69/66/44/573696644.db2.gz WNXZPIDLIXRFDG-MRVPVSSYSA-N 0 0 168.211 2.230 10 0 AEAERN OCCc1ccccc1CC(F)F 258088039 573696659 /nfs/dbraw/zinc/69/66/59/573696659.db2.gz NSVDUJTZWKFLHU-UHFFFAOYSA-N 0 0 186.201 2.029 10 0 AEAERN C/C=C/C(=O)N1CCC[C@@H]2CCC[C@H]21 83892807 573696675 /nfs/dbraw/zinc/69/66/75/573696675.db2.gz FTHUMTFTBUOXHG-GDACHTDGSA-N 0 0 193.290 2.354 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/nfs/dbraw/zinc/70/26/43/573702643.db2.gz KPOZMBWZOKZYQP-UHFFFAOYSA-N 0 0 191.278 2.335 10 0 AEAERN CC[C@H](C)N(C)c1cncc(NC)c1 122105100 573702655 /nfs/dbraw/zinc/70/26/55/573702655.db2.gz WGVBCRGRNDTOTA-VIFPVBQESA-N 0 0 193.294 2.358 10 0 AEAERN C[C@H]1C[C@@](O)(C2CCCC2)CS1 86938509 573702669 /nfs/dbraw/zinc/70/26/69/573702669.db2.gz PJSSCEYEIDUACI-WPRPVWTQSA-N 0 0 186.320 2.433 10 0 AEAERN O[C@@H](C1=CCCCC1)c1ccncn1 236515882 573702673 /nfs/dbraw/zinc/70/26/73/573702673.db2.gz MNXJUXNQEXPGJU-NSHDSACASA-N 0 0 190.246 2.010 10 0 AEAERN CC[C@@H](C)C[C@@]1(O)CCSC1 86938029 573702693 /nfs/dbraw/zinc/70/26/93/573702693.db2.gz UWWBLDAGNHLZKP-BDAKNGLRSA-N 0 0 174.309 2.291 10 0 AEAERN C[C@H](c1ccc(N)nc1)C(F)(F)F 75839481 573702730 /nfs/dbraw/zinc/70/27/30/573702730.db2.gz FUWSDINUMMXLMQ-RXMQYKEDSA-N 0 0 190.168 2.330 10 0 AEAERN Cc1ccc(OC2CCC2)c(F)n1 238483527 573702782 /nfs/dbraw/zinc/70/27/82/573702782.db2.gz CXOLTEGBOXNYHD-UHFFFAOYSA-N 0 0 181.210 2.460 10 0 AEAERN O[C@H](CCC1CC1)C1CCC1 83936695 573702797 /nfs/dbraw/zinc/70/27/97/573702797.db2.gz HKUKOJLHOYCVKP-SNVBAGLBSA-N 0 0 154.253 2.338 10 0 AEAERN CC[C@H](C)c1ncc(CO)s1 83942830 573702809 /nfs/dbraw/zinc/70/28/09/573702809.db2.gz RPUAZTQMSDQVEO-LURJTMIESA-N 0 0 171.265 2.149 10 0 AEAERN C[C@@H]1C[C@@H](NCC(F)(F)F)CS1 86933964 573702819 /nfs/dbraw/zinc/70/28/19/573702819.db2.gz OUQYDVHTAGOVKY-PHDIDXHHSA-N 0 0 199.241 2.032 10 0 AEAERN CCCC[C@@]1(O)CCSC1 86937905 573702847 /nfs/dbraw/zinc/70/28/47/573702847.db2.gz PFFPZVJYOVLQFV-MRVPVSSYSA-N 0 0 160.282 2.045 10 0 AEAERN CC[C@H](C)[C@@]1(O)CS[C@@H](C)C1 86939503 573702853 /nfs/dbraw/zinc/70/28/53/573702853.db2.gz UKWIEGXESXERPP-CIUDSAMLSA-N 0 0 174.309 2.289 10 0 AEAERN O[C@@]1(CC2CCCC2)CCSC1 86938043 573702870 /nfs/dbraw/zinc/70/28/70/573702870.db2.gz TVKLGTSDEDJIMP-SNVBAGLBSA-N 0 0 186.320 2.435 10 0 AEAERN CCO[P@](C)(=O)[C@@H](O)CC(C)C 238312338 573702895 /nfs/dbraw/zinc/70/28/95/573702895.db2.gz DZXUDBDENOOQEF-PELKAZGASA-N 0 0 194.211 2.295 10 0 AEAERN CC(=O)C[C@H]1CC=CCC1 108263680 573702956 /nfs/dbraw/zinc/70/29/56/573702956.db2.gz MVIWJWRXINGWNY-VIFPVBQESA-N 0 0 138.210 2.322 10 0 AEAERN CCc1ccc([C@@H](CC)NN)s1 126859940 573702971 /nfs/dbraw/zinc/70/29/71/573702971.db2.gz BUHSGIPBGAOHNG-MRVPVSSYSA-N 0 0 184.308 2.225 10 0 AEAERN COC(=O)NC[C@@H](C)/C(C)=C/Cl 238313366 573703556 /nfs/dbraw/zinc/70/35/56/573703556.db2.gz RQDNETILHAQFKG-PTYLAXBQSA-N 0 0 191.658 2.121 10 0 AEAERN Cc1c(Cl)ccc(CO)c1F 75844577 573703567 /nfs/dbraw/zinc/70/35/67/573703567.db2.gz WRQXCIBQQYZRPQ-UHFFFAOYSA-N 0 0 174.602 2.280 10 0 AEAERN Cc1c(F)cc(C(F)F)nc1C=O 238483815 573704362 /nfs/dbraw/zinc/70/43/62/573704362.db2.gz UBMGAWLQFMJDHA-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN O[C@@H](CCC1CC1)C1CCC1 83936698 573704365 /nfs/dbraw/zinc/70/43/65/573704365.db2.gz HKUKOJLHOYCVKP-JTQLQIEISA-N 0 0 154.253 2.338 10 0 AEAERN O[C@]1(CC2CCCC2)CCSC1 86938044 573703627 /nfs/dbraw/zinc/70/36/27/573703627.db2.gz TVKLGTSDEDJIMP-JTQLQIEISA-N 0 0 186.320 2.435 10 0 AEAERN CO[C@H](C)[C@@](C)(O)[C@H](C)CC(C)C 393553026 573703648 /nfs/dbraw/zinc/70/36/48/573703648.db2.gz JOIFVWABTABQKD-MXWKQRLJSA-N 0 0 188.311 2.455 10 0 AEAERN CC[C@H](C)c1nc(CO)cs1 83942354 573703651 /nfs/dbraw/zinc/70/36/51/573703651.db2.gz ZIRYTAFIRVJIMU-LURJTMIESA-N 0 0 171.265 2.149 10 0 AEAERN Cc1coc(Nc2cccc(N)c2)n1 108256127 573703663 /nfs/dbraw/zinc/70/36/63/573703663.db2.gz FQAXLUFXDDBVBI-UHFFFAOYSA-N 0 0 189.218 2.309 10 0 AEAERN CC(C)c1oc(N)nc1[C@H]1CCCO1 258099665 573703723 /nfs/dbraw/zinc/70/37/23/573703723.db2.gz NUGMVHKLVYIGKT-SSDOTTSWSA-N 0 0 196.250 2.232 10 0 AEAERN CCN(C)c1nc(C)c(C)nc1Cl 83941373 573703729 /nfs/dbraw/zinc/70/37/29/573703729.db2.gz HJFTYTBRDBPEOJ-UHFFFAOYSA-N 0 0 199.685 2.203 10 0 AEAERN Cc1c(F)ccc2cnn(C)c12 75838744 573703733 /nfs/dbraw/zinc/70/37/33/573703733.db2.gz LNOSYVMHLOBBMD-UHFFFAOYSA-N 0 0 164.183 2.021 10 0 AEAERN C[C@H]1Cc2ccc(N)cc2N[C@H]1C 238483385 573703749 /nfs/dbraw/zinc/70/37/49/573703749.db2.gz MLMWRTPVRLHVLO-YUMQZZPRSA-N 0 0 176.263 2.261 10 0 AEAERN O[C@@H](C1=CCCCC1)c1cncnc1 236515955 573703780 /nfs/dbraw/zinc/70/37/80/573703780.db2.gz KOJZLWXTGSKJTN-NSHDSACASA-N 0 0 190.246 2.010 10 0 AEAERN c1csc(CCc2c[nH]cn2)c1 238014971 573703787 /nfs/dbraw/zinc/70/37/87/573703787.db2.gz JIJHLSHRLFNTEY-UHFFFAOYSA-N 0 0 178.260 2.256 10 0 AEAERN Cc1cc2c(c(Cl)n1)C(=O)CCN2 238483562 573703815 /nfs/dbraw/zinc/70/38/15/573703815.db2.gz VPHAGPBAMDXQNF-UHFFFAOYSA-N 0 0 196.637 2.042 10 0 AEAERN CCC[C@H](CC(=O)[O-])[N@@H+]1CCC[C@@H]1C 126857781 573703820 /nfs/dbraw/zinc/70/38/20/573703820.db2.gz YGQNIWMNISLYEN-VHSXEESVSA-N 0 0 199.294 2.114 10 0 AEAERN Cc1cc2c(cc1C)S[C@@H](N)N2 238483930 573703829 /nfs/dbraw/zinc/70/38/29/573703829.db2.gz AGFOCVDWQWGUGN-VIFPVBQESA-N 0 0 180.276 2.063 10 0 AEAERN O[C@]1(c2ccsc2)CCSC1 86938070 573703851 /nfs/dbraw/zinc/70/38/51/573703851.db2.gz AOTREZKRSQKBOP-MRVPVSSYSA-N 0 0 186.301 2.073 10 0 AEAERN Cc1ccc(Cl)c2cncn12 238483877 573703858 /nfs/dbraw/zinc/70/38/58/573703858.db2.gz NDKOYGUZFWJQRA-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN C[C@H]([NH3+])C(F)(F)C1CCSCC1 257849884 573703931 /nfs/dbraw/zinc/70/39/31/573703931.db2.gz OPTVOXPHJBCKHF-LURJTMIESA-N 0 0 195.278 2.112 10 0 AEAERN CO[C@H](C)[C@@](C)(O)[C@@H](C)CC(C)C 393553021 573703948 /nfs/dbraw/zinc/70/39/48/573703948.db2.gz JOIFVWABTABQKD-AXFHLTTASA-N 0 0 188.311 2.455 10 0 AEAERN CC(C)(C)Cc1nc(CO)cs1 83942370 573703957 /nfs/dbraw/zinc/70/39/57/573703957.db2.gz OIBZPPGDLSTVMJ-UHFFFAOYSA-N 0 0 185.292 2.224 10 0 AEAERN CC(C)(O)c1c(F)ccc(F)c1F 75845857 573704028 /nfs/dbraw/zinc/70/40/28/573704028.db2.gz OBOYLULELHULLN-UHFFFAOYSA-N 0 0 190.164 2.331 10 0 AEAERN CC(C)c1ncccc1F 75838979 573704032 /nfs/dbraw/zinc/70/40/32/573704032.db2.gz IFKWCKQTMWZSJW-UHFFFAOYSA-N 0 0 139.173 2.344 10 0 AEAERN C[C@H]1Cc2ccc([C@@H](C)O)cc2C1 238483680 573704062 /nfs/dbraw/zinc/70/40/62/573704062.db2.gz UZUVYUZWPGQFCD-DTWKUNHWSA-N 0 0 176.259 2.475 10 0 AEAERN Cc1ccc(-c2ncc(CO)s2)o1 83942878 573704081 /nfs/dbraw/zinc/70/40/81/573704081.db2.gz JHINNLKUJMAHFR-UHFFFAOYSA-N 0 0 195.243 2.204 10 0 AEAERN C/C1=C/CCC[C@H](O)CC(=O)CC1 238483737 573704156 /nfs/dbraw/zinc/70/41/56/573704156.db2.gz WWUUUWVCZGEVCA-FWAPLPHYSA-N 0 0 182.263 2.217 10 0 AEAERN CC(=O)c1ccccc1C(C)(C)CO 257849842 573704185 /nfs/dbraw/zinc/70/41/85/573704185.db2.gz OOMKNOGYNOAKPL-UHFFFAOYSA-N 0 0 192.258 2.159 10 0 AEAERN CC[C@@H](C)C[C@]1(O)CCSC1 86938027 573704192 /nfs/dbraw/zinc/70/41/92/573704192.db2.gz UWWBLDAGNHLZKP-RKDXNWHRSA-N 0 0 174.309 2.291 10 0 AEAERN C/C=C/CSc1ncc[nH]1 238015784 573704210 /nfs/dbraw/zinc/70/42/10/573704210.db2.gz ZYANASREWSYJGV-NSCUHMNNSA-N 0 0 154.238 2.078 10 0 AEAERN CO[C@H](C)[C@](C)(O)[C@H](C)CC(C)C 393553023 573704248 /nfs/dbraw/zinc/70/42/48/573704248.db2.gz JOIFVWABTABQKD-GMTAPVOTSA-N 0 0 188.311 2.455 10 0 AEAERN CO[C@H](C)[C@](C)(O)[C@@H](C)CC(C)C 393553025 573704281 /nfs/dbraw/zinc/70/42/81/573704281.db2.gz JOIFVWABTABQKD-HBNTYKKESA-N 0 0 188.311 2.455 10 0 AEAERN O=Cc1ccc(C2CCC2)[nH]1 108263965 573704289 /nfs/dbraw/zinc/70/42/89/573704289.db2.gz YMNYWUIHMXVWPS-UHFFFAOYSA-N 0 0 149.193 2.095 10 0 AEAERN CN(C)c1ccc(F)c(C(C)(C)O)c1 75845858 573704312 /nfs/dbraw/zinc/70/43/12/573704312.db2.gz HJMODLCHKZFVKE-UHFFFAOYSA-N 0 0 197.253 2.119 10 0 AEAERN Cc1ncc(-c2cccnc2)o1 75838763 573704321 /nfs/dbraw/zinc/70/43/21/573704321.db2.gz VOOGDXKURPLRRZ-UHFFFAOYSA-N 0 0 160.176 2.045 10 0 AEAERN CCCC[C@@]1(O)CS[C@H](C)C1 86938384 573704337 /nfs/dbraw/zinc/70/43/37/573704337.db2.gz CQRBNHQJLVEYNC-BDAKNGLRSA-N 0 0 174.309 2.433 10 0 AEAERN C[C@@H]1C[C@H]1[C@H](O)CCC1CC1 83936980 573705745 /nfs/dbraw/zinc/70/57/45/573705745.db2.gz MXIDOGJWPPYCJH-SZEHBUNVSA-N 0 0 154.253 2.194 10 0 AEAERN CC(C)C[C@@]1(O)CS[C@@H](C)C1 86939079 573705762 /nfs/dbraw/zinc/70/57/62/573705762.db2.gz STCVQCADYUXESV-IUCAKERBSA-N 0 0 174.309 2.289 10 0 AEAERN Cc1cnc(C(C)(C)C)nc1 75838601 573705775 /nfs/dbraw/zinc/70/57/75/573705775.db2.gz AWTKHUWUPORXEU-UHFFFAOYSA-N 0 0 150.225 2.083 10 0 AEAERN CC(C)[C@@H](C)N(C)c1cncc(N)c1 122152378 573705780 /nfs/dbraw/zinc/70/57/80/573705780.db2.gz KNXULRRSAHIAPB-SECBINFHSA-N 0 0 193.294 2.145 10 0 AEAERN CC(=O)C[C@H]1Cc2c(F)cccc2N1 258100642 573705790 /nfs/dbraw/zinc/70/57/90/573705790.db2.gz IMHMMBOADHCQHM-QMMMGPOBSA-N 0 0 193.221 2.141 10 0 AEAERN C[C@H]1C[C@H]1C(=O)CCC1CC1 83936080 573705811 /nfs/dbraw/zinc/70/58/11/573705811.db2.gz IPLLRIWRLQBWQD-IONNQARKSA-N 0 0 152.237 2.402 10 0 AEAERN c1coc(C2CCCC2)n1 75840984 573705825 /nfs/dbraw/zinc/70/58/25/573705825.db2.gz NTTLZXKSBZIKKY-UHFFFAOYSA-N 0 0 137.182 2.332 10 0 AEAERN CCCCC[C@@]1(O)CCSC1 86938072 573705852 /nfs/dbraw/zinc/70/58/52/573705852.db2.gz IEYLDTJVKZEPLA-SECBINFHSA-N 0 0 174.309 2.435 10 0 AEAERN C[C@H](c1ccccc1)c1nccn1O 75842149 573705855 /nfs/dbraw/zinc/70/58/55/573705855.db2.gz MIZISKDCVOUTRF-SECBINFHSA-N 0 0 188.230 2.272 10 0 AEAERN CC[C@H](C)[C@]1(O)CS[C@@H](C)C1 86939506 573705857 /nfs/dbraw/zinc/70/58/57/573705857.db2.gz UKWIEGXESXERPP-XHNCKOQMSA-N 0 0 174.309 2.289 10 0 AEAERN C[C@@H](F)c1cccc(OCCCO)c1 257849656 573705872 /nfs/dbraw/zinc/70/58/72/573705872.db2.gz DPDPQBGQXRLIKS-SECBINFHSA-N 0 0 198.237 2.478 10 0 AEAERN Nc1c[nH]cc1-c1cccc(F)c1 258100685 573705882 /nfs/dbraw/zinc/70/58/82/573705882.db2.gz KMXZKTHPMUVBQK-UHFFFAOYSA-N 0 0 176.194 2.403 10 0 AEAERN OCc1cnc(-c2ccsc2)s1 83942766 573705921 /nfs/dbraw/zinc/70/59/21/573705921.db2.gz AAXFQDYPVNCEJB-UHFFFAOYSA-N 0 0 197.284 2.364 10 0 AEAERN C/C=C\C[N@H+](CCC(=O)[O-])C(C)(C)C 215336546 573705924 /nfs/dbraw/zinc/70/59/24/573705924.db2.gz XQZMIDZEBQBQME-WAYWQWQTSA-N 0 0 199.294 2.138 10 0 AEAERN Nc1ccccc1[C@@H](O)CCC1CC1 83936684 573705928 /nfs/dbraw/zinc/70/59/28/573705928.db2.gz REPQZYHDFOTUCQ-LBPRGKRZSA-N 0 0 191.274 2.492 10 0 AEAERN CCC[C@]1(O)CS[C@H](C)C1 86939061 573705962 /nfs/dbraw/zinc/70/59/62/573705962.db2.gz XWJFAMYWLCZJKH-HTQZYQBOSA-N 0 0 160.282 2.043 10 0 AEAERN CCCC[C@]1(O)CS[C@H](C)C1 86938386 573705968 /nfs/dbraw/zinc/70/59/68/573705968.db2.gz CQRBNHQJLVEYNC-RKDXNWHRSA-N 0 0 174.309 2.433 10 0 AEAERN C[C@@H]1C[C@](O)(C(C)(C)C)CS1 86939063 573705975 /nfs/dbraw/zinc/70/59/75/573705975.db2.gz ISRCGNGGWYFLES-VXNVDRBHSA-N 0 0 174.309 2.289 10 0 AEAERN CCC[C@@]1(O)CS[C@@H](C)C1 86939054 573705981 /nfs/dbraw/zinc/70/59/81/573705981.db2.gz XWJFAMYWLCZJKH-YUMQZZPRSA-N 0 0 160.282 2.043 10 0 AEAERN C[C@H](c1ccnn1C)C(F)(F)F 75840177 573705994 /nfs/dbraw/zinc/70/59/94/573705994.db2.gz UJLWPVLPVMUUDT-RXMQYKEDSA-N 0 0 178.157 2.086 10 0 AEAERN CC(C)C[C@]1(O)CS[C@H](C)C1 86939072 573706011 /nfs/dbraw/zinc/70/60/11/573706011.db2.gz STCVQCADYUXESV-RKDXNWHRSA-N 0 0 174.309 2.289 10 0 AEAERN CC(=O)c1ccc2c(c1)O[C@@H](C)CN2 108239341 573706027 /nfs/dbraw/zinc/70/60/27/573706027.db2.gz JZHKEDMKTOFZET-ZETCQYMHSA-N 0 0 191.230 2.082 10 0 AEAERN O[C@@H](C1CC1)[C@H](O)C1CCCCCC1 236537506 573706029 /nfs/dbraw/zinc/70/60/29/573706029.db2.gz SUPVJMRSHNKUSB-NEPJUHHUSA-N 0 0 198.306 2.089 10 0 AEAERN Cc1[nH]c2ccc(O)cc2c1/C=C/N 238484679 573706053 /nfs/dbraw/zinc/70/60/53/573706053.db2.gz LMSFXFJAZHAHLQ-SNAWJCMRSA-N 0 0 188.230 2.111 10 0 AEAERN O[C@@H](c1ccoc1Cl)C1CC1 236528839 573706067 /nfs/dbraw/zinc/70/60/67/573706067.db2.gz CNNRZHAOFIZLBJ-SSDOTTSWSA-N 0 0 172.611 2.376 10 0 AEAERN CN(C)c1cccc(C(C)(C)O)c1F 75845859 573706077 /nfs/dbraw/zinc/70/60/77/573706077.db2.gz OPNUPLWBNQBCGY-UHFFFAOYSA-N 0 0 197.253 2.119 10 0 AEAERN C[C@H](c1cnn(C)c1)C(F)(F)F 75839439 573706102 /nfs/dbraw/zinc/70/61/02/573706102.db2.gz IWEKJTXMUAXPFN-RXMQYKEDSA-N 0 0 178.157 2.086 10 0 AEAERN C[C@H](F)c1cccc(OCCCO)c1 257849658 573706113 /nfs/dbraw/zinc/70/61/13/573706113.db2.gz DPDPQBGQXRLIKS-VIFPVBQESA-N 0 0 198.237 2.478 10 0 AEAERN Cc1cnc(OC2CCCC2)n1C 238484653 573706128 /nfs/dbraw/zinc/70/61/28/573706128.db2.gz FOPGORYBVVQSBR-UHFFFAOYSA-N 0 0 180.251 2.050 10 0 AEAERN CC(=O)C[C@@H]1CC=CCC1 108263683 573706138 /nfs/dbraw/zinc/70/61/38/573706138.db2.gz MVIWJWRXINGWNY-SECBINFHSA-N 0 0 138.210 2.322 10 0 AEAERN CCN1c2cc(C=O)ccc2C[C@@H]1C 258099912 573706142 /nfs/dbraw/zinc/70/61/42/573706142.db2.gz NVYPIQYVUNBGDD-VIFPVBQESA-N 0 0 189.258 2.270 10 0 AEAERN Clc1ccc(N[C@H]2CCC[NH2+]2)cc1 257849792 573706169 /nfs/dbraw/zinc/70/61/69/573706169.db2.gz ONSXEXCDRLJGRT-JTQLQIEISA-N 0 0 196.681 2.461 10 0 AEAERN C[C@@H]1C[C@@H](Nc2cccnc2)CS1 86934034 573706265 /nfs/dbraw/zinc/70/62/65/573706265.db2.gz QOSGTWZHSNYXMO-PSASIEDQSA-N 0 0 194.303 2.388 10 0 AEAERN Cc1cc2cc(C=O)ccc2[nH]c1=O 259176520 573706267 /nfs/dbraw/zinc/70/62/67/573706267.db2.gz LKWFMBPKFRRSIA-UHFFFAOYSA-N 0 0 187.198 2.061 10 0 AEAERN O[C@@H](C1CCCCCC1)[C@@H](O)C1CC1 236533892 573706273 /nfs/dbraw/zinc/70/62/73/573706273.db2.gz SUPVJMRSHNKUSB-RYUDHWBXSA-N 0 0 198.306 2.089 10 0 AEAERN C[C@H]1C[C@@H]1C(=O)CCC1CC1 83936076 573706332 /nfs/dbraw/zinc/70/63/32/573706332.db2.gz IPLLRIWRLQBWQD-CBAPKCEASA-N 0 0 152.237 2.402 10 0 AEAERN Clc1ccc(N[C@@H]2CCC[NH2+]2)cc1 257849793 573706350 /nfs/dbraw/zinc/70/63/50/573706350.db2.gz ONSXEXCDRLJGRT-SNVBAGLBSA-N 0 0 196.681 2.461 10 0 AEAERN CCCC[C@]1(O)CCSC1 86937904 573706394 /nfs/dbraw/zinc/70/63/94/573706394.db2.gz PFFPZVJYOVLQFV-QMMMGPOBSA-N 0 0 160.282 2.045 10 0 AEAERN COc1ccc(COC(C)C)c(N)c1 258100638 573706423 /nfs/dbraw/zinc/70/64/23/573706423.db2.gz KMWAZCMAVVSJKF-UHFFFAOYSA-N 0 0 195.262 2.202 10 0 AEAERN Cc1nc(-c2ccc(O)cc2)c[nH]1 108239031 573706436 /nfs/dbraw/zinc/70/64/36/573706436.db2.gz IPMCBCDDRRPBNS-UHFFFAOYSA-N 0 0 174.203 2.091 10 0 AEAERN CC(C)(O)c1cccc2cccnc12 75845897 573706442 /nfs/dbraw/zinc/70/64/42/573706442.db2.gz UBGBKVISOHSXEO-UHFFFAOYSA-N 0 0 187.242 2.462 10 0 AEAERN C[C@H](O)[C@H]1Cc2cc(Cl)ccc2O1 258099900 573706496 /nfs/dbraw/zinc/70/64/96/573706496.db2.gz NVRBXJSAQDAUQA-QUBYGPBYSA-N 0 0 198.649 2.024 10 0 AEAERN C1CCC(OCC2CC2)C1 238011564 573711396 /nfs/dbraw/zinc/71/13/96/573711396.db2.gz UXVCPAADNNXEQE-UHFFFAOYSA-N 0 0 140.226 2.356 10 0 AEAERN Cc1cccc(N2CCCC2)c1C=O 238490854 573710688 /nfs/dbraw/zinc/71/06/88/573710688.db2.gz YSGHCKGYMBAFQX-UHFFFAOYSA-N 0 0 189.258 2.408 10 0 AEAERN Cc1nc(C(F)F)c(C=O)cc1F 238491174 573710694 /nfs/dbraw/zinc/71/06/94/573710694.db2.gz NZDKQEOYJJWGNX-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN Cc1cc2c(O)cccc2n1C 108264596 573710736 /nfs/dbraw/zinc/71/07/36/573710736.db2.gz JXNAATNQOCXRBP-UHFFFAOYSA-N 0 0 161.204 2.192 10 0 AEAERN O=Cc1cccc(Cc2ccccn2)c1 83951243 573710757 /nfs/dbraw/zinc/71/07/57/573710757.db2.gz KGQHHILYZLZPSD-UHFFFAOYSA-N 0 0 197.237 2.485 10 0 AEAERN CC(C)(C)n1ncc(C=O)c1C1CC1 257850486 573710793 /nfs/dbraw/zinc/71/07/93/573710793.db2.gz OSZRMQZUMIRERB-UHFFFAOYSA-N 0 0 192.262 2.328 10 0 AEAERN C[C@@H]1[C@@H](O)CC[C@H]1Cc1ccncc1 83952319 573710836 /nfs/dbraw/zinc/71/08/36/573710836.db2.gz RVBOOAOZNNHLRO-DLOVCJGASA-N 0 0 191.274 2.031 10 0 AEAERN O=Cc1ccc(Cc2ccccn2)cc1 83951242 573710844 /nfs/dbraw/zinc/71/08/44/573710844.db2.gz KCPQVIVLMTZSAI-UHFFFAOYSA-N 0 0 197.237 2.485 10 0 AEAERN C=CC(=O)N[C@@H]1CCCCC[C@@H]1C 83949376 573710852 /nfs/dbraw/zinc/71/08/52/573710852.db2.gz IXDIFORIRSZVBV-VHSXEESVSA-N 0 0 181.279 2.257 10 0 AEAERN CCn1[nH]c(=O)c2ccc(Cl)cc21 257850483 573710862 /nfs/dbraw/zinc/71/08/62/573710862.db2.gz OSTQLWYOHHVEJC-UHFFFAOYSA-N 0 0 196.637 2.003 10 0 AEAERN C[C@H]1CCC2(CCCCC2)C(=O)N1 238490539 573710885 /nfs/dbraw/zinc/71/08/85/573710885.db2.gz VQDBVLVXCDJIHW-VIFPVBQESA-N 0 0 181.279 2.235 10 0 AEAERN O=Cc1ccccc1Cc1ccncc1 83951265 573710912 /nfs/dbraw/zinc/71/09/12/573710912.db2.gz YUSFPBMIVCHQIR-UHFFFAOYSA-N 0 0 197.237 2.485 10 0 AEAERN CCc1ccc(F)c([C@H](C)CO)c1 258101091 573710918 /nfs/dbraw/zinc/71/09/18/573710918.db2.gz OVQMUXSFWXGLIP-MRVPVSSYSA-N 0 0 182.238 2.484 10 0 AEAERN C[C@H]1C(=O)CC[C@@H]1Cc1ccncc1 83951942 573710938 /nfs/dbraw/zinc/71/09/38/573710938.db2.gz PLOCRGHBSQPLRT-MWLCHTKSSA-N 0 0 189.258 2.239 10 0 AEAERN Cc1cnc2cc(N)c(C)cc2c1 238491000 573710955 /nfs/dbraw/zinc/71/09/55/573710955.db2.gz ANBZLNAGBRVQII-UHFFFAOYSA-N 0 0 172.231 2.434 10 0 AEAERN C[C@H]1CC[C@@](O)(Cc2ccncc2)C1 83950841 573710979 /nfs/dbraw/zinc/71/09/79/573710979.db2.gz UAOJSHQPRCOJFB-JQWIXIFHSA-N 0 0 191.274 2.175 10 0 AEAERN C[C@H]1CCCCC[C@@H]1NC#N 83949302 573710994 /nfs/dbraw/zinc/71/09/94/573710994.db2.gz UXSYYHYSQQJNHW-IUCAKERBSA-N 0 0 152.241 2.026 10 0 AEAERN OCC/C=C\[C@H]1CCCSC1 258094807 573711010 /nfs/dbraw/zinc/71/10/10/573711010.db2.gz GQUWHDOCZDRKAK-LVXRCVOFSA-N 0 0 172.293 2.068 10 0 AEAERN Cc1c(F)ccc2c(CO)c[nH]c12 238490634 573711012 /nfs/dbraw/zinc/71/10/12/573711012.db2.gz KCEJUNICRBDTNX-UHFFFAOYSA-N 0 0 179.194 2.108 10 0 AEAERN C[C@H]1C(=O)CC[C@H]1Cc1ccccn1 83951936 573711024 /nfs/dbraw/zinc/71/10/24/573711024.db2.gz ADZYJKFMDQAXQC-ZJUUUORDSA-N 0 0 189.258 2.239 10 0 AEAERN O[C@@H]1C=C(Cc2ccncc2)CCC1 83952329 573711110 /nfs/dbraw/zinc/71/11/10/573711110.db2.gz KZVIUQBGDSCQSG-LBPRGKRZSA-N 0 0 189.258 2.095 10 0 AEAERN C[C@H](O)c1ccc(Cl)c(N(C)C)c1 259560041 573711135 /nfs/dbraw/zinc/71/11/35/573711135.db2.gz WLNSUGWJGSYICQ-ZETCQYMHSA-N 0 0 199.681 2.459 10 0 AEAERN Cc1ccc(N)c([C@@H](O)C(C)C)c1 75853431 573711156 /nfs/dbraw/zinc/71/11/56/573711156.db2.gz VCRRPKDQEWOMJQ-NSHDSACASA-N 0 0 179.263 2.267 10 0 AEAERN C[C@@H]1CC[C@@](O)(Cc2ccncc2)C1 83950840 573711158 /nfs/dbraw/zinc/71/11/58/573711158.db2.gz UAOJSHQPRCOJFB-PWSUYJOCSA-N 0 0 191.274 2.175 10 0 AEAERN C1CCC(OC2CCC2)C1 238011417 573711173 /nfs/dbraw/zinc/71/11/73/573711173.db2.gz VXDRKNJSQQSOTO-UHFFFAOYSA-N 0 0 140.226 2.498 10 0 AEAERN C[C@@H]1CC[C@](O)(Cc2ccncc2)C1 83950838 573711174 /nfs/dbraw/zinc/71/11/74/573711174.db2.gz UAOJSHQPRCOJFB-ZYHUDNBSSA-N 0 0 191.274 2.175 10 0 AEAERN O=C1CCC[C@H](Cc2ccncc2)C1 83951899 573711183 /nfs/dbraw/zinc/71/11/83/573711183.db2.gz FFAGFJOUXFZQFV-LLVKDONJSA-N 0 0 189.258 2.383 10 0 AEAERN CC1(C)CCc2[nH]c(C=O)cc2C1 108266086 573711218 /nfs/dbraw/zinc/71/12/18/573711218.db2.gz WRTHEFPJQUQTOV-UHFFFAOYSA-N 0 0 177.247 2.342 10 0 AEAERN C[C@H]1CCC[C@]1(O)Cc1ccncc1 83950897 573711265 /nfs/dbraw/zinc/71/12/65/573711265.db2.gz XWTSAMMFCXKRHQ-JQWIXIFHSA-N 0 0 191.274 2.175 10 0 AEAERN CC(C)=C[C@]1(O)CS[C@@H](C)C1 86939971 573711272 /nfs/dbraw/zinc/71/12/72/573711272.db2.gz TXYYDZQQMDSKKC-DTWKUNHWSA-N 0 0 172.293 2.209 10 0 AEAERN CC(C)[C@@](C)(O)Cc1ccccn1 83950606 573711289 /nfs/dbraw/zinc/71/12/89/573711289.db2.gz JKFNDPSODARAHZ-NSHDSACASA-N 0 0 179.263 2.031 10 0 AEAERN Cc1ccc(F)c2c1NC(=O)CC2 238492822 573713936 /nfs/dbraw/zinc/71/39/36/573713936.db2.gz GUUZGQATHATCDO-UHFFFAOYSA-N 0 0 179.194 2.019 10 0 AEAERN C=C=C1CC[C@H]2CCC(=O)C[C@H]12 238032873 573713945 /nfs/dbraw/zinc/71/39/45/573713945.db2.gz QEYUCRQKFSOMFB-GXSJLCMTSA-N 0 0 162.232 2.477 10 0 AEAERN C/C=C/[C@@H](O)C1SCCCS1 238033194 573713953 /nfs/dbraw/zinc/71/39/53/573713953.db2.gz MUSOLVVLXLGHNX-NUOXCJHRSA-N 0 0 190.333 2.120 10 0 AEAERN COc1ccc(C)cc1[C@@](C)(F)CO 257855077 573713967 /nfs/dbraw/zinc/71/39/67/573713967.db2.gz SYVLMZKJTQBRSN-NSHDSACASA-N 0 0 198.237 2.181 10 0 AEAERN Cc1cc2cc(CCON)ccc2o1 258101076 573713314 /nfs/dbraw/zinc/71/33/14/573713314.db2.gz OVJXTCBAYZCPRT-UHFFFAOYSA-N 0 0 191.230 2.174 10 0 AEAERN O[C@H](C1=CCCCC1)c1cnns1 236560009 573713360 /nfs/dbraw/zinc/71/33/60/573713360.db2.gz CDKNWFVOXCEOFR-SECBINFHSA-N 0 0 196.275 2.072 10 0 AEAERN C[C@H]1SCCC[C@]1(O)C1CC1 86968471 573713425 /nfs/dbraw/zinc/71/34/25/573713425.db2.gz VKKIONFSDDSNBC-VXNVDRBHSA-N 0 0 172.293 2.043 10 0 AEAERN CCc1c(OC)cccc1C1(O)CC1 258096028 573713452 /nfs/dbraw/zinc/71/34/52/573713452.db2.gz OHEULSWYVPKXSM-UHFFFAOYSA-N 0 0 192.258 2.239 10 0 AEAERN C/C=C\[C@H](O)C1(CC)CC1 642834172 573713453 /nfs/dbraw/zinc/71/34/53/573713453.db2.gz HJQKHQCFQGFBTE-NHLYECAPSA-N 0 0 140.226 2.114 10 0 AEAERN CCCC(=O)OCc1ccoc1C 393554300 573713460 /nfs/dbraw/zinc/71/34/60/573713460.db2.gz MCSHOOJBJFKBFJ-UHFFFAOYSA-N 0 0 182.219 2.431 10 0 AEAERN CC[C@@]1(O)CCCS[C@H]1C 86967810 573713524 /nfs/dbraw/zinc/71/35/24/573713524.db2.gz DKVUWSUXQWRWSG-JGVFFNPUSA-N 0 0 160.282 2.043 10 0 AEAERN OCCCc1c(F)ccc2ccoc12 258096070 573713539 /nfs/dbraw/zinc/71/35/39/573713539.db2.gz OHIKNJUSEIVLNY-UHFFFAOYSA-N 0 0 194.205 2.497 10 0 AEAERN Cc1cc(O)c2[nH]cc(C)c2c1 238493070 573713564 /nfs/dbraw/zinc/71/35/64/573713564.db2.gz PDRIPIQKEGMOHF-UHFFFAOYSA-N 0 0 161.204 2.490 10 0 AEAERN CCc1ccc(C(=S)NC)cc1 75856822 573713566 /nfs/dbraw/zinc/71/35/66/573713566.db2.gz FINPRHXOSMEAII-UHFFFAOYSA-N 0 0 179.288 2.144 10 0 AEAERN Cc1ccccc1[C@@]1(C)CC[C@@H]1O 238492377 573713614 /nfs/dbraw/zinc/71/36/14/573713614.db2.gz QKKOSWZPRNORRN-NWDGAFQWSA-N 0 0 176.259 2.407 10 0 AEAERN CC1(C)CCC[C@]2(CC1)COC(N)=N2 83952607 573713644 /nfs/dbraw/zinc/71/36/44/573713644.db2.gz XKQVSRZXXLNJPX-NSHDSACASA-N 0 0 196.294 2.060 10 0 AEAERN CCCC1CCC2(CC1)COC(N)=N2 83964609 573713654 /nfs/dbraw/zinc/71/36/54/573713654.db2.gz NCESFIJEOBGBGL-UHFFFAOYSA-N 0 0 196.294 2.060 10 0 AEAERN COc1cc(N)cc2cc(O)ccc12 257854273 573713672 /nfs/dbraw/zinc/71/36/72/573713672.db2.gz PRKRHMZSLSFUSW-UHFFFAOYSA-N 0 0 189.214 2.136 10 0 AEAERN Cc1cc(O)c2c(c1)CCCN2N=O 238492392 573713675 /nfs/dbraw/zinc/71/36/75/573713675.db2.gz JOSAONVQHVNJSD-UHFFFAOYSA-N 0 0 192.218 2.135 10 0 AEAERN CON[C@@H](C)c1cc(F)ccc1F 108278577 573713732 /nfs/dbraw/zinc/71/37/32/573713732.db2.gz IAWMKEJVUCRUBB-LURJTMIESA-N 0 0 187.189 2.177 10 0 AEAERN O=Cc1nc(-c2cccs2)co1 108277639 573713739 /nfs/dbraw/zinc/71/37/39/573713739.db2.gz OFZIQCQHSDPFAX-UHFFFAOYSA-N 0 0 179.200 2.216 10 0 AEAERN C=C=C1CC[C@@H]2CCC(=O)C[C@H]12 238032652 573713764 /nfs/dbraw/zinc/71/37/64/573713764.db2.gz QEYUCRQKFSOMFB-MWLCHTKSSA-N 0 0 162.232 2.477 10 0 AEAERN C[C@@H](O)c1ccc2c(c1O)CCCC2 258096165 573713794 /nfs/dbraw/zinc/71/37/94/573713794.db2.gz OINKWVMCFMTLQU-MRVPVSSYSA-N 0 0 192.258 2.324 10 0 AEAERN O=C1C=NNC1c1ccccc1Cl 257854275 573713805 /nfs/dbraw/zinc/71/38/05/573713805.db2.gz PRLPVVRGEZSDDI-UHFFFAOYSA-N 0 0 194.621 2.436 10 0 AEAERN C=C=C1CC[C@H]2CCC(=O)C[C@@H]12 238032902 573713844 /nfs/dbraw/zinc/71/38/44/573713844.db2.gz QEYUCRQKFSOMFB-ONGXEEELSA-N 0 0 162.232 2.477 10 0 AEAERN Cc1ccc2c(c1C)C[C@H](CO)CC2 238492646 573713853 /nfs/dbraw/zinc/71/38/53/573713853.db2.gz JQSWIJFTNOGPLR-LLVKDONJSA-N 0 0 190.286 2.401 10 0 AEAERN C[C@]1(Cl)C(=O)C[C@@H]2CC=C[C@@H]21 238492720 573713873 /nfs/dbraw/zinc/71/38/73/573713873.db2.gz XRRAPDQIZFIGAQ-ACLDMZEESA-N 0 0 170.639 2.149 10 0 AEAERN O[C@H]1CCOC[C@H]1C1CCCCCC1 236560803 573713876 /nfs/dbraw/zinc/71/38/76/573713876.db2.gz UCFMLROCGNQTEO-RYUDHWBXSA-N 0 0 198.306 2.354 10 0 AEAERN O[C@H]1CCOC[C@@H]1C1CCCCCC1 236555597 573713885 /nfs/dbraw/zinc/71/38/85/573713885.db2.gz UCFMLROCGNQTEO-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN COc1ccc(C)cc1[C@](C)(F)CO 257855075 573713892 /nfs/dbraw/zinc/71/38/92/573713892.db2.gz SYVLMZKJTQBRSN-LLVKDONJSA-N 0 0 198.237 2.181 10 0 AEAERN CC[C@@H]1CCC[C@@]2(CC1)COC(N)=N2 83964765 573713897 /nfs/dbraw/zinc/71/38/97/573713897.db2.gz VYGABPIYBNIADF-MWLCHTKSSA-N 0 0 196.294 2.060 10 0 AEAERN CC(C)OCC1(CO)CCCCC1 393555515 573719472 /nfs/dbraw/zinc/71/94/72/573719472.db2.gz QMXGEUIRFZUYCJ-UHFFFAOYSA-N 0 0 186.295 2.354 10 0 AEAERN CC[C@@H]1CCC[C@@]2(CC1)COC(=O)N2 83965847 573719478 /nfs/dbraw/zinc/71/94/78/573719478.db2.gz NZFJTIOUHJEGQJ-MWLCHTKSSA-N 0 0 197.278 2.455 10 0 AEAERN CC[C@H]1CCCC[C@]12COC(=O)N2 83965694 573719503 /nfs/dbraw/zinc/71/95/03/573719503.db2.gz HTXQVPRUHVWRCH-WPRPVWTQSA-N 0 0 183.251 2.065 10 0 AEAERN OCC1(F)CCCCCC1 108281778 573719526 /nfs/dbraw/zinc/71/95/26/573719526.db2.gz XUZPXLDSPCMJBF-UHFFFAOYSA-N 0 0 146.205 2.041 10 0 AEAERN Cc1cnc(Oc2ccccc2O)o1 257855327 573719540 /nfs/dbraw/zinc/71/95/40/573719540.db2.gz CZQACZSIHPWPHS-UHFFFAOYSA-N 0 0 191.186 2.481 10 0 AEAERN Oc1c[nH]c(-c2ccc(F)c(F)c2)n1 236575846 573719542 /nfs/dbraw/zinc/71/95/42/573719542.db2.gz ZYMCNTBEYLRMDQ-UHFFFAOYSA-N 0 0 196.156 2.061 10 0 AEAERN Cc1nc(C(F)F)c(F)cc1N 238494026 573719544 /nfs/dbraw/zinc/71/95/44/573719544.db2.gz ZFAWMSUROOTIHB-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN C[C@H](F)Cc1ccccc1CNO 258098652 573718809 /nfs/dbraw/zinc/71/88/09/573718809.db2.gz OQRJBUUIBOJLSB-QMMMGPOBSA-N 0 0 183.226 2.066 10 0 AEAERN O=C1N[C@]2(CCC[C@H](C3CC3)C2)CO1 83965998 573718815 /nfs/dbraw/zinc/71/88/15/573718815.db2.gz SITXMWMPMMNUJT-ONGXEEELSA-N 0 0 195.262 2.065 10 0 AEAERN NOCc1ccc(OC2CCC2)cc1 258098472 573718842 /nfs/dbraw/zinc/71/88/42/573718842.db2.gz OORILDXMMPCXMH-UHFFFAOYSA-N 0 0 193.246 2.008 10 0 AEAERN CC1(C)CCC[C@]2(CC1)COC(=O)N2 83965440 573718858 /nfs/dbraw/zinc/71/88/58/573718858.db2.gz FLHCHKBSOGNSAV-NSHDSACASA-N 0 0 197.278 2.455 10 0 AEAERN Nc1ccc([C@@]2(F)CCCOC2)cc1 257855867 573718881 /nfs/dbraw/zinc/71/88/81/573718881.db2.gz PWABTSXVGZHVHL-LLVKDONJSA-N 0 0 195.237 2.244 10 0 AEAERN Cc1cc(C)c2c(c1C)C(=O)CO2 238493698 573718899 /nfs/dbraw/zinc/71/88/99/573718899.db2.gz BSBVWNUFBZKMHU-UHFFFAOYSA-N 0 0 176.215 2.187 10 0 AEAERN CC(C)Oc1cc(N)ccc1F 75881744 573718923 /nfs/dbraw/zinc/71/89/23/573718923.db2.gz QEWMDMFJXMGNBB-UHFFFAOYSA-N 0 0 169.199 2.195 10 0 AEAERN Cc1ccc2nc3c[nH][nH]c-3c2c1 238493775 573718936 /nfs/dbraw/zinc/71/89/36/573718936.db2.gz KOPACTMBMYHIPY-UHFFFAOYSA-N 0 0 171.203 2.353 10 0 AEAERN CCc1cccc2cc(C[NH3+])cnc12 83965680 573718942 /nfs/dbraw/zinc/71/89/42/573718942.db2.gz CMPYGGRTFZBWLZ-UHFFFAOYSA-N 0 0 186.258 2.256 10 0 AEAERN Oc1cccc([C@]2(F)CCCOC2)c1 257855968 573718946 /nfs/dbraw/zinc/71/89/46/573718946.db2.gz QABYNNLOKPBTAN-NSHDSACASA-N 0 0 196.221 2.367 10 0 AEAERN Nc1cnc(Oc2ccc(F)cc2)o1 257856277 573718954 /nfs/dbraw/zinc/71/89/54/573718954.db2.gz DFKRZNLUBUVFSS-UHFFFAOYSA-N 0 0 194.165 2.188 10 0 AEAERN C[C@H]1COc2cc(F)cc(F)c21 75882995 573718998 /nfs/dbraw/zinc/71/89/98/573718998.db2.gz VAGSRJMUBXTDIG-YFKPBYRVSA-N 0 0 170.158 2.461 10 0 AEAERN Cc1cncc(-c2ccc(C)o2)n1 238494062 573719025 /nfs/dbraw/zinc/71/90/25/573719025.db2.gz YPKIUMJPCFXQPI-UHFFFAOYSA-N 0 0 174.203 2.353 10 0 AEAERN O=c1ccoc2cc(F)cc(F)c12 75881975 573719058 /nfs/dbraw/zinc/71/90/58/573719058.db2.gz CUABDQSZSWUKQL-UHFFFAOYSA-N 0 0 182.125 2.071 10 0 AEAERN C[C@H]1NC2=C(CCC2)C(=S)S1 238494368 573719097 /nfs/dbraw/zinc/71/90/97/573719097.db2.gz FPTSOSGASCXXIE-YFKPBYRVSA-N 0 0 185.317 2.434 10 0 AEAERN Cc1ccc(F)c2c1OCCC2 75882923 573719100 /nfs/dbraw/zinc/71/91/00/573719100.db2.gz LRYBFOQFXDFDHN-UHFFFAOYSA-N 0 0 166.195 2.459 10 0 AEAERN Cc1cc(NC(C)(C)CO)ccc1F 258891828 573719111 /nfs/dbraw/zinc/71/91/11/573719111.db2.gz RFSLBSLACXKNQB-UHFFFAOYSA-N 0 0 197.253 2.317 10 0 AEAERN Cc1coc2cc(F)ccc2c1=O 75882005 573719128 /nfs/dbraw/zinc/71/91/28/573719128.db2.gz XSZIBONNRZSXCR-UHFFFAOYSA-N 0 0 178.162 2.241 10 0 AEAERN C[C@H]1CCc2nnc(C(C)(C)C)n2C1 258098415 573719170 /nfs/dbraw/zinc/71/91/70/573719170.db2.gz FRBMKRVEUSMERY-QMMMGPOBSA-N 0 0 193.294 2.158 10 0 AEAERN C[C@@H](O)c1ccc(Cl)cc1O 258097504 573719176 /nfs/dbraw/zinc/71/91/76/573719176.db2.gz XJIROWQGOBQEQH-RXMQYKEDSA-N 0 0 172.611 2.099 10 0 AEAERN CC[C@H]1CCCC[C@@]12COC(=O)N2 83965691 573719191 /nfs/dbraw/zinc/71/91/91/573719191.db2.gz HTXQVPRUHVWRCH-WCBMZHEXSA-N 0 0 183.251 2.065 10 0 AEAERN Nc1c(Cl)cccc1CCCCO 257856201 573719284 /nfs/dbraw/zinc/71/92/84/573719284.db2.gz NQRXFHMVOOEXEO-UHFFFAOYSA-N 0 0 199.681 2.237 10 0 AEAERN CC(C)C1CCC2(CC1)COC(=O)N2 83965576 573719285 /nfs/dbraw/zinc/71/92/85/573719285.db2.gz QIJOSQBFRFZSNH-UHFFFAOYSA-N 0 0 197.278 2.311 10 0 AEAERN Cc1ccc2c(c1C)CC[C@H](CO)C2 238494905 573719307 /nfs/dbraw/zinc/71/93/07/573719307.db2.gz MPVGKSQDZHDNHJ-NSHDSACASA-N 0 0 190.286 2.401 10 0 AEAERN O=c1ccoc2c(F)cc(F)cc12 75881970 573719365 /nfs/dbraw/zinc/71/93/65/573719365.db2.gz QPYVNAYUPHWOBH-UHFFFAOYSA-N 0 0 182.125 2.071 10 0 AEAERN Cc1c(F)cccc1[C@@H](N)C(F)F 238493584 573719367 /nfs/dbraw/zinc/71/93/67/573719367.db2.gz GBHKFHFNCLVADX-MRVPVSSYSA-N 0 0 189.180 2.399 10 0 AEAERN CCNc1cncc(NC2CCC2)c1 122290211 573719430 /nfs/dbraw/zinc/71/94/30/573719430.db2.gz KIOSPJIZDAALMC-UHFFFAOYSA-N 0 0 191.278 2.478 10 0 AEAERN C[C@H]1CC(=O)c2c(F)cccc2O1 75882213 573719457 /nfs/dbraw/zinc/71/94/57/573719457.db2.gz CWOOIHHFNREPQQ-LURJTMIESA-N 0 0 180.178 2.179 10 0 AEAERN Nc1ccccc1[C@H]1C[C@H]1F 259173418 573719459 /nfs/dbraw/zinc/71/94/59/573719459.db2.gz HZEMEXHGEBLEPJ-HTQZYQBOSA-N 0 0 151.184 2.094 10 0 AEAERN CCc1ccc([C@H]2COC(=O)N2)cc1 83965225 573721448 /nfs/dbraw/zinc/72/14/48/573721448.db2.gz JSVCBCJUCWTGAR-SNVBAGLBSA-N 0 0 191.230 2.030 10 0 AEAERN CC(C)Cc1n[nH]c2ccc(N)cc12 257856834 573721486 /nfs/dbraw/zinc/72/14/86/573721486.db2.gz QBQNHXXAJIERHY-UHFFFAOYSA-N 0 0 189.262 2.344 10 0 AEAERN CC[C@H]1CCC[C@]2(COC(=O)N2)C1 83965682 573721487 /nfs/dbraw/zinc/72/14/87/573721487.db2.gz BWBYABMQIUEZMC-WCBMZHEXSA-N 0 0 183.251 2.065 10 0 AEAERN C/C(CO)=C(/C)C[C@@H]1CCCCO1 238042205 573721492 /nfs/dbraw/zinc/72/14/92/573721492.db2.gz RNLHGPMLWYCFMX-USKTWTLRSA-N 0 0 184.279 2.274 10 0 AEAERN Oc1c[nH]c(-c2cc(F)cc(F)c2)n1 236575659 573720812 /nfs/dbraw/zinc/72/08/12/573720812.db2.gz LEFSYEUSZZOIQU-UHFFFAOYSA-N 0 0 196.156 2.061 10 0 AEAERN C[C@H](O)[C@@H](F)CC1CCSCC1 257855892 573720879 /nfs/dbraw/zinc/72/08/79/573720879.db2.gz PXDYADQIDVYYET-CBAPKCEASA-N 0 0 192.299 2.239 10 0 AEAERN Nc1ccc(-c2ccc(N)o2)cc1 258104131 573720882 /nfs/dbraw/zinc/72/08/82/573720882.db2.gz KYZYFBYBFIKAEB-UHFFFAOYSA-N 0 0 174.203 2.111 10 0 AEAERN CCc1sc(CC)c(N)c1N 223306108 573720902 /nfs/dbraw/zinc/72/09/02/573720902.db2.gz XUKBWMOIJDYUSA-UHFFFAOYSA-N 0 0 170.281 2.037 10 0 AEAERN CC[C@H](NN)c1ccc(C)c(F)c1 97501475 573720970 /nfs/dbraw/zinc/72/09/70/573720970.db2.gz UIZLLSUASQRXFW-JTQLQIEISA-N 0 0 182.242 2.049 10 0 AEAERN CC[C@]1(O)CSCC(C)(C)C1 86977691 573721001 /nfs/dbraw/zinc/72/10/01/573721001.db2.gz AFGUZSDUBHMTEN-SECBINFHSA-N 0 0 174.309 2.291 10 0 AEAERN Cc1cc(C)c2c(c1)S[C@@H](N)N2 238493560 573721005 /nfs/dbraw/zinc/72/10/05/573721005.db2.gz VZYLRWKUYMRMQU-VIFPVBQESA-N 0 0 180.276 2.063 10 0 AEAERN O=C1N[C@H](c2cccc(Cl)c2)CO1 83965941 573721080 /nfs/dbraw/zinc/72/10/80/573721080.db2.gz SIZJPSQIILAROZ-QMMMGPOBSA-N 0 0 197.621 2.121 10 0 AEAERN Cc1ccc([C@@H]2COC(=O)N2)cc1C 83965802 573721110 /nfs/dbraw/zinc/72/11/10/573721110.db2.gz GAKCHOIKULUOPL-JTQLQIEISA-N 0 0 191.230 2.084 10 0 AEAERN CC(C)(C)OC(=O)[C@@H]1CC12CC2 215329125 573721111 /nfs/dbraw/zinc/72/11/11/573721111.db2.gz UMBGEBDJXBKBBO-ZETCQYMHSA-N 0 0 168.236 2.128 10 0 AEAERN COc1cc(C)c(F)cc1CCCO 258105644 573721132 /nfs/dbraw/zinc/72/11/32/573721132.db2.gz KVOBADTVTLDGAD-UHFFFAOYSA-N 0 0 198.237 2.068 10 0 AEAERN CCc1ccc([C@@H]2COC(=O)N2)cc1 83965223 573721138 /nfs/dbraw/zinc/72/11/38/573721138.db2.gz JSVCBCJUCWTGAR-JTQLQIEISA-N 0 0 191.230 2.030 10 0 AEAERN Cc1ccnc(-c2cccc(C=O)c2)n1 257857183 573721205 /nfs/dbraw/zinc/72/12/05/573721205.db2.gz NYAGFERREBSXSW-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN C[C@@H]1CC(C)(C)C[C@]2(COC(=O)N2)C1 83965204 573721212 /nfs/dbraw/zinc/72/12/12/573721212.db2.gz DBXKRAGBIAZATC-KCJUWKMLSA-N 0 0 197.278 2.311 10 0 AEAERN Cc1coc2c(F)ccc(F)c2c1=O 75882003 573721232 /nfs/dbraw/zinc/72/12/32/573721232.db2.gz TUTIYJLLTYHRAK-UHFFFAOYSA-N 0 0 196.152 2.380 10 0 AEAERN CC[C@@H]1CCC[C@]2(COC(=O)N2)C1 83965679 573721246 /nfs/dbraw/zinc/72/12/46/573721246.db2.gz BWBYABMQIUEZMC-PSASIEDQSA-N 0 0 183.251 2.065 10 0 AEAERN C/C=C/[C@@H]1O[C@@H](O)c2ccccc21 238044236 573721247 /nfs/dbraw/zinc/72/12/47/573721247.db2.gz NKFKGNRCIQVTII-GDACHTDGSA-N 0 0 176.215 2.325 10 0 AEAERN Cc1ccc([C@H]2COC(=O)N2)c(C)c1 83965514 573721254 /nfs/dbraw/zinc/72/12/54/573721254.db2.gz BIXUZLFEJJUVKU-SNVBAGLBSA-N 0 0 191.230 2.084 10 0 AEAERN c1ccc2c(c1)C[C@@H]1CCOC1=N2 238042815 573721261 /nfs/dbraw/zinc/72/12/61/573721261.db2.gz HVNDIJGAXVXZJO-VIFPVBQESA-N 0 0 173.215 2.309 10 0 AEAERN C/C(=C\C[C@H]1CCCCC1=O)CO 238043990 573721274 /nfs/dbraw/zinc/72/12/74/573721274.db2.gz GVGWCLJWQCQGAK-OLKPEBQYSA-N 0 0 182.263 2.074 10 0 AEAERN CC(C)C(=O)[C@@H]1CSCCS1 86982179 573721341 /nfs/dbraw/zinc/72/13/41/573721341.db2.gz YAEKPWAXPOHFEX-ZETCQYMHSA-N 0 0 190.333 2.060 10 0 AEAERN OCc1[nH]c2c(F)cccc2c1Cl 258105448 573721345 /nfs/dbraw/zinc/72/13/45/573721345.db2.gz OEZKPVZHOSUZIB-UHFFFAOYSA-N 0 0 199.612 2.453 10 0 AEAERN O=c1ccc2c(F)ccc(F)c2o1 75882721 573721363 /nfs/dbraw/zinc/72/13/63/573721363.db2.gz VXYLAQOAIZSXDN-UHFFFAOYSA-N 0 0 182.125 2.071 10 0 AEAERN C[C@H]1COc2ccc(F)cc21 75882963 573721407 /nfs/dbraw/zinc/72/14/07/573721407.db2.gz SWKSTZKLBMPEJM-LURJTMIESA-N 0 0 152.168 2.322 10 0 AEAERN Cc1ccc([C@H]2COC(=O)N2)cc1C 83965805 573721429 /nfs/dbraw/zinc/72/14/29/573721429.db2.gz GAKCHOIKULUOPL-SNVBAGLBSA-N 0 0 191.230 2.084 10 0 AEAERN O[C@]1(CCC2CC2)CCCOCC1 236586435 573723384 /nfs/dbraw/zinc/72/33/84/573723384.db2.gz SDYULPYQVRAYFI-NSHDSACASA-N 0 0 184.279 2.108 10 0 AEAERN Cc1cc(N)c(C)c2c1CC=C2 108284609 573723388 /nfs/dbraw/zinc/72/33/88/573723388.db2.gz SGJSVTOGEGRSSP-UHFFFAOYSA-N 0 0 159.232 2.455 10 0 AEAERN Cc1cccc(Nc2cc(=O)o[nH]2)c1 238496386 573723392 /nfs/dbraw/zinc/72/33/92/573723392.db2.gz FCTPBIJJNIDURE-UHFFFAOYSA-N 0 0 190.202 2.020 10 0 AEAERN Cc1ccc(NC2=NC[C@H](C)O2)cc1 238496165 573723404 /nfs/dbraw/zinc/72/34/04/573723404.db2.gz RSVJNXXEXOPUQE-VIFPVBQESA-N 0 0 190.246 2.182 10 0 AEAERN Cc1cc(F)cc(CC2(O)CC2)c1 258106066 573723424 /nfs/dbraw/zinc/72/34/24/573723424.db2.gz YMTKBBMQOPBFQR-UHFFFAOYSA-N 0 0 180.222 2.202 10 0 AEAERN c1cnc2c(c1)Cc1cccnc1N2 142994221 573723442 /nfs/dbraw/zinc/72/34/42/573723442.db2.gz YZLFZCKFPVBHMI-UHFFFAOYSA-N 0 0 183.214 2.124 10 0 AEAERN Cc1cc2ccc(C[C@@H](C)O)cc2[nH]1 258104612 573723530 /nfs/dbraw/zinc/72/35/30/573723530.db2.gz OEQCHNYZYLFHBU-SECBINFHSA-N 0 0 189.258 2.400 10 0 AEAERN COC[C@]1(C)Cc2ccc(C)cc2N1 258103939 573723536 /nfs/dbraw/zinc/72/35/36/573723536.db2.gz IQCRKDJAEQOUMC-LBPRGKRZSA-N 0 0 191.274 2.368 10 0 AEAERN Cc1cc(C)c2[nH]c(N)cc2c1 238495544 573723565 /nfs/dbraw/zinc/72/35/65/573723565.db2.gz VQSKSRAKPDBVGZ-UHFFFAOYSA-N 0 0 160.220 2.367 10 0 AEAERN Cc1c(F)cnc(C(F)F)c1C=O 238496377 573723593 /nfs/dbraw/zinc/72/35/93/573723593.db2.gz OMRMGFHUBCMEDR-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN CC[C@@H]1CCCC[C@]12CNC(=O)O2 83967349 573723595 /nfs/dbraw/zinc/72/35/95/573723595.db2.gz GSSKIZRVCHWZRU-SCZZXKLOSA-N 0 0 183.251 2.065 10 0 AEAERN FCCOc1cccc2c1CCCN2 258106074 573723642 /nfs/dbraw/zinc/72/36/42/573723642.db2.gz SIVZGMIZEJNGFM-UHFFFAOYSA-N 0 0 195.237 2.393 10 0 AEAERN CCSc1ccc([C@@H](C)O)cn1 124962969 573723687 /nfs/dbraw/zinc/72/36/87/573723687.db2.gz SDSHYCUFSYQXCA-SSDOTTSWSA-N 0 0 183.276 2.247 10 0 AEAERN OC[C@@]1(c2cccs2)C=CC=CC1 142941514 573723707 /nfs/dbraw/zinc/72/37/07/573723707.db2.gz GCPPAOZVIBIORV-LLVKDONJSA-N 0 0 192.283 2.494 10 0 AEAERN CCc1cccc([C@](C)(F)CO)c1 257858265 573723711 /nfs/dbraw/zinc/72/37/11/573723711.db2.gz UNDRLBMBRSQBJF-LLVKDONJSA-N 0 0 182.238 2.426 10 0 AEAERN C[C@@](F)(CO)c1cccc(F)c1F 257858313 573723716 /nfs/dbraw/zinc/72/37/16/573723716.db2.gz URNZBRCFSIDLBK-SECBINFHSA-N 0 0 190.164 2.142 10 0 AEAERN C[C@]1(O)C=Cc2cc(O)ccc2CC1 238496338 573723757 /nfs/dbraw/zinc/72/37/57/573723757.db2.gz JLCFVXROIZRLTL-GFCCVEGCSA-N 0 0 190.242 2.103 10 0 AEAERN CC(=O)C(C)(C(C)=O)C(C)(C)C 238047162 573723767 /nfs/dbraw/zinc/72/37/67/573723767.db2.gz JMLARWQAQLDUQF-UHFFFAOYSA-N 0 0 170.252 2.217 10 0 AEAERN Cc1ccc2c(c1C)CC[C@@H](CO)C2 238495579 573723775 /nfs/dbraw/zinc/72/37/75/573723775.db2.gz MPVGKSQDZHDNHJ-LLVKDONJSA-N 0 0 190.286 2.401 10 0 AEAERN Nc1cc(-c2cc3ccccc3[nH]2)no1 258099037 573723786 /nfs/dbraw/zinc/72/37/86/573723786.db2.gz KQAJMNSIUVGAIJ-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN COc1c(C)cccc1[C@@](C)(F)CO 257857321 573723821 /nfs/dbraw/zinc/72/38/21/573723821.db2.gz UJVFHWDVIAGIJM-NSHDSACASA-N 0 0 198.237 2.181 10 0 AEAERN Cc1cc(Cl)c(C)c(N)c1N 238496191 573723837 /nfs/dbraw/zinc/72/38/37/573723837.db2.gz XYTSVSOJLFTOGN-UHFFFAOYSA-N 0 0 170.643 2.121 10 0 AEAERN C/C=C/[C@@]1(C)CCCC(=O)C[C@H]1O 238047680 573723844 /nfs/dbraw/zinc/72/38/44/573723844.db2.gz ADYZZEOXUQSMLP-MFFLNWJUSA-N 0 0 182.263 2.073 10 0 AEAERN C[C@@H]1C[C@H]2CCC(=O)[C@@H]2C1 238485658 573723876 /nfs/dbraw/zinc/72/38/76/573723876.db2.gz LMTHRRMEGHYJAJ-BWZBUEFSSA-N 0 0 138.210 2.012 10 0 AEAERN C/C=C/[C@@](C)(O)[C@@H](O)c1ccccc1 238047388 573723903 /nfs/dbraw/zinc/72/39/03/573723903.db2.gz LRVUCFKLRHZOBB-XLFQXWAYSA-N 0 0 192.258 2.047 10 0 AEAERN Cc1c(F)ccnc1C(F)F 238495979 573723912 /nfs/dbraw/zinc/72/39/12/573723912.db2.gz GQJHXMDQAZZEOI-UHFFFAOYSA-N 0 0 161.126 2.467 10 0 AEAERN Nc1ccc2occ(F)c2c1 258512700 573723933 /nfs/dbraw/zinc/72/39/33/573723933.db2.gz LOJIKQISTAIGOF-UHFFFAOYSA-N 0 0 151.140 2.154 10 0 AEAERN COC[C@@]1(C)Cc2ccc(C)cc2N1 258103935 573723934 /nfs/dbraw/zinc/72/39/34/573723934.db2.gz IQCRKDJAEQOUMC-GFCCVEGCSA-N 0 0 191.274 2.368 10 0 AEAERN CC(C)C(=O)[C@H]1CSCCS1 86982181 573723939 /nfs/dbraw/zinc/72/39/39/573723939.db2.gz YAEKPWAXPOHFEX-SSDOTTSWSA-N 0 0 190.333 2.060 10 0 AEAERN Cc1ccc2c(c1)CCC[C@H](O)C2 238495205 573723962 /nfs/dbraw/zinc/72/39/62/573723962.db2.gz HHCHHORZQMVYDU-LBPRGKRZSA-N 0 0 176.259 2.235 10 0 AEAERN Cc1ocnc1-c1ccccc1CO 257858412 573724003 /nfs/dbraw/zinc/72/40/03/573724003.db2.gz QJYDCMJIFBOSJA-UHFFFAOYSA-N 0 0 189.214 2.142 10 0 AEAERN C/C=C/[C@@H]1[C@H]2CCCC(=O)[C@@H]12 238046718 573724023 /nfs/dbraw/zinc/72/40/23/573724023.db2.gz SLHYXIQLOIATJK-VAMURFSJSA-N 0 0 150.221 2.178 10 0 AEAERN C/C(=C\CO)C[C@H]1CCCCC1=O 238046611 573724058 /nfs/dbraw/zinc/72/40/58/573724058.db2.gz FDCQTIQBKGPDOJ-OLKPEBQYSA-N 0 0 182.263 2.074 10 0 AEAERN O[C@H](CCC(F)(F)F)CC1CC1 86979619 573724089 /nfs/dbraw/zinc/72/40/89/573724089.db2.gz BPURKIBNFLDFRQ-SSDOTTSWSA-N 0 0 182.185 2.490 10 0 AEAERN C/C=C/[C@@]1(C)CCCC(=O)C[C@@H]1O 238047648 573724099 /nfs/dbraw/zinc/72/40/99/573724099.db2.gz ADYZZEOXUQSMLP-LUSJXZINSA-N 0 0 182.263 2.073 10 0 AEAERN c1ccc2c(c1)Cc1cccn1CN2 238047370 573724107 /nfs/dbraw/zinc/72/41/07/573724107.db2.gz OIUMOAWDDGTZHB-UHFFFAOYSA-N 0 0 184.242 2.462 10 0 AEAERN Cc1coc(C(=O)[C@@H]2CCCOC2)c1 716117244 573724137 /nfs/dbraw/zinc/72/41/37/573724137.db2.gz XCMFCLLXEVWTNV-SECBINFHSA-N 0 0 194.230 2.197 10 0 AEAERN Cc1oc2cc(O)cc(O)c2c1C 238495004 573724202 /nfs/dbraw/zinc/72/42/02/573724202.db2.gz IZOCLSXSCITNRH-UHFFFAOYSA-N 0 0 178.187 2.461 10 0 AEAERN Oc1ccc(C/C=C/F)cc1 142903045 573724880 /nfs/dbraw/zinc/72/48/80/573724880.db2.gz KZIDUOBEGIIZGI-LREOWRDNSA-N 0 0 152.168 2.418 10 0 AEAERN Cc1ccc2c(c1)N[C@@H]1OCC[C@]21C 238495789 573724884 /nfs/dbraw/zinc/72/48/84/573724884.db2.gz FHSLYPSAUFRAQO-VXGBXAGGSA-N 0 0 189.258 2.425 10 0 AEAERN C[C@@H](O)/C=C1\CCCc2occc21 394303597 573724951 /nfs/dbraw/zinc/72/49/51/573724951.db2.gz SVARQHVZRBZAPL-KGOFQHAKSA-N 0 0 178.231 2.380 10 0 AEAERN C[C@@]1(O)CCc2ccc(O)cc2CC1 238496359 573724969 /nfs/dbraw/zinc/72/49/69/573724969.db2.gz VEWDSZCDQUHDOO-GFCCVEGCSA-N 0 0 192.258 2.022 10 0 AEAERN O=C1NC[C@@]2(CCC[C@H](C3CC3)C2)O1 83967629 573724985 /nfs/dbraw/zinc/72/49/85/573724985.db2.gz YYJHAIYHZOWFPR-ONGXEEELSA-N 0 0 195.262 2.065 10 0 AEAERN O[C@]1(C2=CCCCCC2)CCOC1 236584933 573725000 /nfs/dbraw/zinc/72/50/00/573725000.db2.gz NEBRDYWOUZXMBL-LLVKDONJSA-N 0 0 182.263 2.028 10 0 AEAERN Cc1ccsc1[C@@H](F)CO 108284793 573725018 /nfs/dbraw/zinc/72/50/18/573725018.db2.gz QDNVCFCTODFFOO-LURJTMIESA-N 0 0 160.213 2.059 10 0 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258113296 573736110 /nfs/dbraw/zinc/73/61/10/573736110.db2.gz PSPHAAQJIHAXKN-UHFFFAOYSA-N 0 0 195.237 2.023 10 0 AEAERN Cc1nc2c(C)ccc(N)c2s1 238488714 573736112 /nfs/dbraw/zinc/73/61/12/573736112.db2.gz YAHJCMVXQMCPDZ-UHFFFAOYSA-N 0 0 178.260 2.495 10 0 AEAERN OC1(Cc2ccc3c(c2)CCC3)CC1 258113354 573736142 /nfs/dbraw/zinc/73/61/42/573736142.db2.gz PUNJDVZPHZIOMQ-UHFFFAOYSA-N 0 0 188.270 2.243 10 0 AEAERN OC[C@H](F)c1ccccc1Cl 108290904 573736154 /nfs/dbraw/zinc/73/61/54/573736154.db2.gz NAJMEQMEMRMCJI-QMMMGPOBSA-N 0 0 174.602 2.343 10 0 AEAERN OCCc1ccc2c(c1)CCCCC2 258113381 573736169 /nfs/dbraw/zinc/73/61/69/573736169.db2.gz PVGTXMDMRYAYGV-UHFFFAOYSA-N 0 0 190.286 2.490 10 0 AEAERN C[C@@H]1C[C@]2(C)CCCC=C2NC1=O 238489777 573736228 /nfs/dbraw/zinc/73/62/28/573736228.db2.gz IHCVJGPEEBTINR-KCJUWKMLSA-N 0 0 179.263 2.217 10 0 AEAERN OCc1[nH]c2ccc(F)cc2c1Cl 258114319 573736239 /nfs/dbraw/zinc/73/62/39/573736239.db2.gz PAMKWYGDFRWFIJ-UHFFFAOYSA-N 0 0 199.612 2.453 10 0 AEAERN 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193.221 2.232 10 0 AEAERN Cc1nccc(C(=O)C2CCCC2)n1 125034946 573750051 /nfs/dbraw/zinc/75/00/51/573750051.db2.gz IMXPLJHJTFRSMI-UHFFFAOYSA-N 0 0 190.246 2.158 10 0 AEAERN Nc1cccc(CNc2ccc[nH]2)c1 258904284 573750058 /nfs/dbraw/zinc/75/00/58/573750058.db2.gz DPZAOHRWHAZAIG-UHFFFAOYSA-N 0 0 187.246 2.209 10 0 AEAERN Cc1cc2c(C)[nH]c(C)c2ccc1=O 238497513 573750067 /nfs/dbraw/zinc/75/00/67/573750067.db2.gz HXRAMDINVZRWPH-UHFFFAOYSA-N 0 0 187.242 2.453 10 0 AEAERN Cc1ccc2c(c1)OCCCC(=O)N2 238497113 573750099 /nfs/dbraw/zinc/75/00/99/573750099.db2.gz HGDLMCQPMYYPNK-UHFFFAOYSA-N 0 0 191.230 2.106 10 0 AEAERN O=c1c(Cl)ccccc1Cl 238496801 573750110 /nfs/dbraw/zinc/75/01/10/573750110.db2.gz HLNBOLXGYLJBTM-UHFFFAOYSA-N 0 0 175.014 2.354 10 0 AEAERN O=Cc1cc2c(c(Cl)c1[O-])CCC2 108307526 573750117 /nfs/dbraw/zinc/75/01/17/573750117.db2.gz HNPGTMLFSANHEP-UHFFFAOYSA-N 0 0 196.633 2.347 10 0 AEAERN COc1cccc2oc([C@@H](C)O)cc12 257864521 573750130 /nfs/dbraw/zinc/75/01/30/573750130.db2.gz HHCIOGQHUMFISZ-SSDOTTSWSA-N 0 0 192.214 2.495 10 0 AEAERN [NH3+]C[C@@]1(F)CCCc2c(F)cccc21 108307809 573750177 /nfs/dbraw/zinc/75/01/77/573750177.db2.gz NNZBOMMPFDIUEQ-NSHDSACASA-N 0 0 197.228 2.286 10 0 AEAERN Clc1ccccc1C1COC1 238497837 573750195 /nfs/dbraw/zinc/75/01/95/573750195.db2.gz UKAWTDQNRFYSMJ-UHFFFAOYSA-N 0 0 168.623 2.454 10 0 AEAERN C[C@H](c1ccccc1)c1ccc(N)nn1 74215048 573750213 /nfs/dbraw/zinc/75/02/13/573750213.db2.gz QRXWSGNVGYEFBO-SECBINFHSA-N 0 0 199.257 2.211 10 0 AEAERN C/C=C/[C@](C)(O)[C@@H](O)C1CCCCC1 238065941 573750263 /nfs/dbraw/zinc/75/02/63/573750263.db2.gz UNWIHEOURYIKNS-ZSBMJCTGSA-N 0 0 198.306 2.255 10 0 AEAERN C/C=C/[C@H]1O[C@@H]1/C=C/Br 238064135 573750283 /nfs/dbraw/zinc/75/02/83/573750283.db2.gz AEYVJDPXRGYXET-WCRDDNRPSA-N 0 0 189.052 2.239 10 0 AEAERN CCC[C@H](NN)C1(C)CCCC1 126995029 573750303 /nfs/dbraw/zinc/75/03/03/573750303.db2.gz SSLDHSNUOCCJKV-VIFPVBQESA-N 0 0 170.300 2.199 10 0 AEAERN CCC[C@@H](NN)c1ccc(CC)o1 127023831 573750326 /nfs/dbraw/zinc/75/03/26/573750326.db2.gz YYBPNOXFZTYJFF-SECBINFHSA-N 0 0 182.267 2.147 10 0 AEAERN COc1c(C)cc([C@H](F)C[NH3+])cc1C 108307974 573750340 /nfs/dbraw/zinc/75/03/40/573750340.db2.gz BBVBTWKZWQASIN-SNVBAGLBSA-N 0 0 197.253 2.281 10 0 AEAERN CCC[C@H](NN)C1C(C)(C)C1(C)C 127037166 573750365 /nfs/dbraw/zinc/75/03/65/573750365.db2.gz QOKFEDISOSPXDZ-QMMMGPOBSA-N 0 0 184.327 2.301 10 0 AEAERN COc1c(C)cc([C@H](F)CO)cc1C 108309323 573750393 /nfs/dbraw/zinc/75/03/93/573750393.db2.gz UYCVBYXSQPHZMF-SNVBAGLBSA-N 0 0 198.237 2.315 10 0 AEAERN CC(C)(C)[C@@H]1CCC[C@H](CO)C1=O 143345578 573750428 /nfs/dbraw/zinc/75/04/28/573750428.db2.gz TUFJIUUCVSKVGM-RKDXNWHRSA-N 0 0 184.279 2.010 10 0 AEAERN CC(=O)c1cc2ccoc2c(C)n1 238064921 573750445 /nfs/dbraw/zinc/75/04/45/573750445.db2.gz NTFNWXJKHQAQCB-UHFFFAOYSA-N 0 0 175.187 2.339 10 0 AEAERN CCC[C@@H](NN)c1cccc(C)c1F 127038009 573750484 /nfs/dbraw/zinc/75/04/84/573750484.db2.gz GANLEEMDJLNBFX-SNVBAGLBSA-N 0 0 196.269 2.439 10 0 AEAERN Cc1c(C)c2c(c(C)c1O)COCO2 238497765 573750507 /nfs/dbraw/zinc/75/05/07/573750507.db2.gz KWIRBNUPHJHAPE-UHFFFAOYSA-N 0 0 194.230 2.184 10 0 AEAERN CC1=N[C@H](c2ccccc2)N[C@@H]1C 238497201 573750546 /nfs/dbraw/zinc/75/05/46/573750546.db2.gz NZQLWRVSYGNNSE-LDYMZIIASA-N 0 0 174.247 2.138 10 0 AEAERN CC(C)[C@H]1CNc2ncc(Cl)n2C1 108311806 573750593 /nfs/dbraw/zinc/75/05/93/573750593.db2.gz XOJXOSGYWAUXCI-ZETCQYMHSA-N 0 0 199.685 2.234 10 0 AEAERN Cc1c(F)cnc(C=O)c1C(F)F 238496768 573750626 /nfs/dbraw/zinc/75/06/26/573750626.db2.gz YYPISDULFYCDID-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN C[C@@H]1Nc2ccccc2[C@@H](C)N1 238498091 573750697 /nfs/dbraw/zinc/75/06/97/573750697.db2.gz PCYMSLLLUWJOIT-SFYZADRCSA-N 0 0 162.236 2.109 10 0 AEAERN C=C(NC(C)=O)c1cccc(Cl)c1 238064362 573750712 /nfs/dbraw/zinc/75/07/12/573750712.db2.gz HOJULGASVPLABS-UHFFFAOYSA-N 0 0 195.649 2.447 10 0 AEAERN Nc1cc(F)ccc1[C@@H](O)C1CCC1 257864643 573750737 /nfs/dbraw/zinc/75/07/37/573750737.db2.gz RVANUFHHPQOWSN-NSHDSACASA-N 0 0 195.237 2.241 10 0 AEAERN Cc1ccccc1/C=C(/F)CO 238498216 573750715 /nfs/dbraw/zinc/75/07/15/573750715.db2.gz WXJXREBIWLNRJZ-UXBLZVDNSA-N 0 0 166.195 2.298 10 0 AEAERN C[C@H]1Cc2cc(C(C)(C)O)ccc2O1 258116222 573754048 /nfs/dbraw/zinc/75/40/48/573754048.db2.gz OWOAUWJNDRTVNM-QMMMGPOBSA-N 0 0 192.258 2.237 10 0 AEAERN CC(C)n1nc(C=O)c2c1CC[C@H]2F 257865480 573754076 /nfs/dbraw/zinc/75/40/76/573754076.db2.gz RZMRWFDQEQVMBF-SSDOTTSWSA-N 0 0 196.225 2.233 10 0 AEAERN CC[C@]1(CO)CCCCCC[C@@H]1O 143299438 573754106 /nfs/dbraw/zinc/75/41/06/573754106.db2.gz NIHOHMHQQOMLSG-WDEREUQCSA-N 0 0 186.295 2.090 10 0 AEAERN CCc1ccccc1-c1ccc(N)nn1 74215055 573754111 /nfs/dbraw/zinc/75/41/11/573754111.db2.gz NFEUPHPALYLZHN-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN CC[C@@]1(CO)CCCCCCC1=O 143341454 573753269 /nfs/dbraw/zinc/75/32/69/573753269.db2.gz GCMPXGWQSWZCRA-NSHDSACASA-N 0 0 184.279 2.298 10 0 AEAERN C/C=C1/CC[C@@H](CO)/C1=C/C 238079138 573754123 /nfs/dbraw/zinc/75/41/23/573754123.db2.gz OTXKGRRRQGFRQY-XLGWWPHFSA-N 0 0 152.237 2.281 10 0 AEAERN C[C@]12C=CC[C@H]1CCCC2=O 238498563 573753284 /nfs/dbraw/zinc/75/32/84/573753284.db2.gz ACDNSOOKADZIPN-SCZZXKLOSA-N 0 0 150.221 2.322 10 0 AEAERN Cc1cc2c(C)ccc(O)c2[nH]1 238498365 573753339 /nfs/dbraw/zinc/75/33/39/573753339.db2.gz KHDSLEFPLPJFRF-UHFFFAOYSA-N 0 0 161.204 2.490 10 0 AEAERN CC[C@@H](C)/C=C(/C)[C@@H](C)O 143309397 573753365 /nfs/dbraw/zinc/75/33/65/573753365.db2.gz GVBAHOVWOWAXPS-IDJYNPRVSA-N 0 0 142.242 2.360 10 0 AEAERN COc1cc(C)c(C)cc1[C@H](F)C[NH3+] 108307985 573753379 /nfs/dbraw/zinc/75/33/79/573753379.db2.gz SDEGLQCWBFTOMV-SNVBAGLBSA-N 0 0 197.253 2.281 10 0 AEAERN C[C@H]1C[C@@H](CO)Cc2ccccc21 238499696 573753566 /nfs/dbraw/zinc/75/35/66/573753566.db2.gz DXTVVCYJJMZQGH-VHSXEESVSA-N 0 0 176.259 2.345 10 0 AEAERN CC(C)CCOCc1ccc(N)nc1 50831512 573753569 /nfs/dbraw/zinc/75/35/69/573753569.db2.gz VUBPBXSNVUZEJH-UHFFFAOYSA-N 0 0 194.278 2.227 10 0 AEAERN Cc1sc2c(c1C)C(=O)CC2 238499264 573753573 /nfs/dbraw/zinc/75/35/73/573753573.db2.gz KXHZJWBDTVXJNU-UHFFFAOYSA-N 0 0 166.245 2.494 10 0 AEAERN Cc1cnc(C(F)(F)F)c(O)c1 238498858 573753592 /nfs/dbraw/zinc/75/35/92/573753592.db2.gz FTSCPSSMXMJCJL-UHFFFAOYSA-N 0 0 177.125 2.114 10 0 AEAERN Cc1nc(C(F)F)ccc1C=O 238505040 573753612 /nfs/dbraw/zinc/75/36/12/573753612.db2.gz DAPJNOVVQQMLQF-UHFFFAOYSA-N 0 0 171.146 2.140 10 0 AEAERN C/C=C1/CC[C@H](CO)/C1=C/C 238079197 573753617 /nfs/dbraw/zinc/75/36/17/573753617.db2.gz OTXKGRRRQGFRQY-DZSPIWDMSA-N 0 0 152.237 2.281 10 0 AEAERN CC(=O)NC(=S)C1CCCCC1 238068168 573753633 /nfs/dbraw/zinc/75/36/33/573753633.db2.gz MAUYNLRAKOBMAO-UHFFFAOYSA-N 0 0 185.292 2.030 10 0 AEAERN Cc1ccc(F)cc1[C@H]1CCC(=O)N1 238498970 573753650 /nfs/dbraw/zinc/75/36/50/573753650.db2.gz XRJNDHIVLAKDOG-SNVBAGLBSA-N 0 0 193.221 2.085 10 0 AEAERN Cc1n[nH]cc1-c1ccc(N)s1 238499396 573753664 /nfs/dbraw/zinc/75/36/64/573753664.db2.gz WZPCXBGQFOKECQ-UHFFFAOYSA-N 0 0 179.248 2.029 10 0 AEAERN CC(C)(C)[C@@H]1CCC[C@@H](CO)C1=O 143345972 573753678 /nfs/dbraw/zinc/75/36/78/573753678.db2.gz TUFJIUUCVSKVGM-DTWKUNHWSA-N 0 0 184.279 2.010 10 0 AEAERN Cc1c(F)ncc(C(F)F)c1C=O 238498406 573753730 /nfs/dbraw/zinc/75/37/30/573753730.db2.gz NJPRPQXIOFFUDW-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN C/C=C/c1nnc([C@@H](N)C(C)(C)C)o1 238068413 573753739 /nfs/dbraw/zinc/75/37/39/573753739.db2.gz CBWHAIWASMEJSD-HQZHTGGTSA-N 0 0 195.266 2.149 10 0 AEAERN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1O[N+](=O)[O-] 143411538 573753763 /nfs/dbraw/zinc/75/37/63/573753763.db2.gz RELDXYQXWBTSCN-QXFUBDJGSA-N 0 0 199.250 2.410 10 0 AEAERN C[C@@H]1Cc2cc(C(C)(C)O)ccc2O1 258116218 573753847 /nfs/dbraw/zinc/75/38/47/573753847.db2.gz OWOAUWJNDRTVNM-MRVPVSSYSA-N 0 0 192.258 2.237 10 0 AEAERN CCCC[C@@H](C)N(C)C(=O)CC(C)=O 308704210 573753977 /nfs/dbraw/zinc/75/39/77/573753977.db2.gz WCPPVDAWCCOVBN-SECBINFHSA-N 0 0 199.294 2.003 10 0 AEAERN Cc1ccc(Cl)cc1OC[C@@H]1CO1 84058560 573754011 /nfs/dbraw/zinc/75/40/11/573754011.db2.gz UCYUWWXOVNRQQU-VIFPVBQESA-N 0 0 198.649 2.426 10 0 AEAERN COc1cccc2oc([C@H](C)O)cc12 257864523 573754025 /nfs/dbraw/zinc/75/40/25/573754025.db2.gz HHCIOGQHUMFISZ-ZETCQYMHSA-N 0 0 192.214 2.495 10 0 AEAERN CC(=O)[C@H]1C(C)(C)[C@@]1(C)Cl 238068170 573754027 /nfs/dbraw/zinc/75/40/27/573754027.db2.gz SZOFRBVULIQOCS-XPUUQOCRSA-N 0 0 160.644 2.229 10 0 AEAERN Cc1ccc(O)c2c1cc(C=O)n2C 257873636 573754031 /nfs/dbraw/zinc/75/40/31/573754031.db2.gz UCNFZQQHBGOQIE-UHFFFAOYSA-N 0 0 189.214 2.005 10 0 AEAERN Cc1cnc(C(F)F)c(F)c1C=O 238505979 573759942 /nfs/dbraw/zinc/75/99/42/573759942.db2.gz BXHCNIWWXVUCKA-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN Cc1cc([C@@H]2CCC(=O)C2)ccc1N 238505750 573760006 /nfs/dbraw/zinc/76/00/06/573760006.db2.gz QYWIUQSYOOMNNM-SNVBAGLBSA-N 0 0 189.258 2.414 10 0 AEAERN Cc1cccc([C@@H]2CCCC2=O)n1 238506525 573760012 /nfs/dbraw/zinc/76/00/12/573760012.db2.gz KVSOXTNKYUWELF-VIFPVBQESA-N 0 0 175.231 2.227 10 0 AEAERN Cc1c(O)ccc(CC2(O)CC2)c1C 258121213 573760038 /nfs/dbraw/zinc/76/00/38/573760038.db2.gz QQWOOUZPZSDIBX-UHFFFAOYSA-N 0 0 192.258 2.076 10 0 AEAERN Nc1ccccc1-c1ccoc1N 258117245 573760044 /nfs/dbraw/zinc/76/00/44/573760044.db2.gz MEDXVEXEUVUXOP-UHFFFAOYSA-N 0 0 174.203 2.111 10 0 AEAERN CC(=O)NC1C[C@@H]2CCCC[C@H]2C1 238080544 573760079 /nfs/dbraw/zinc/76/00/79/573760079.db2.gz BINDAWFJGMQNMK-UWVGGRQHSA-N 0 0 181.279 2.091 10 0 AEAERN Cc1ccoc1[C@H](NN)C(C)(C)C 122527463 573760088 /nfs/dbraw/zinc/76/00/88/573760088.db2.gz VRVIVVYOXZSTKN-VIFPVBQESA-N 0 0 182.267 2.139 10 0 AEAERN CCc1ccc(Cl)cc1CCO 258121180 573760139 /nfs/dbraw/zinc/76/01/39/573760139.db2.gz QPTWCVIZECBKMF-UHFFFAOYSA-N 0 0 184.666 2.437 10 0 AEAERN Cc1cccc([C@@H]2CCC(=O)N2)c1F 238506029 573760202 /nfs/dbraw/zinc/76/02/02/573760202.db2.gz NWYUOFCRSRPZGJ-VIFPVBQESA-N 0 0 193.221 2.085 10 0 AEAERN c1cn2c3c(nc2s1)CCCC3 98177142 573760208 /nfs/dbraw/zinc/76/02/08/573760208.db2.gz JRQLHFPQZOFISB-UHFFFAOYSA-N 0 0 178.260 2.275 10 0 AEAERN O=C1C[C@@H]2C[C@H]1CC2(Cl)Cl 238506517 573760225 /nfs/dbraw/zinc/76/02/25/573760225.db2.gz WNTFAKIJDAKQKT-WHFBIAKZSA-N 0 0 179.046 2.159 10 0 AEAERN CC(=O)c1ccc2c(c1)OCC=C2 259620275 573760673 /nfs/dbraw/zinc/76/06/73/573760673.db2.gz FEWHKSBCRYBMOB-UHFFFAOYSA-N 0 0 174.199 2.295 10 0 AEAERN CC(C)C(=O)[C@H](O)c1cccs1 258914610 573760282 /nfs/dbraw/zinc/76/02/82/573760282.db2.gz WBFSYYAWOIDWEJ-SECBINFHSA-N 0 0 184.260 2.007 10 0 AEAERN Cc1cccc([C@@H]2CCC(=O)C2)c1N 238505860 573760328 /nfs/dbraw/zinc/76/03/28/573760328.db2.gz OXHUQRKJRRZBQM-SECBINFHSA-N 0 0 189.258 2.414 10 0 AEAERN Nc1nocc1C1CCCCC1 257869153 573760682 /nfs/dbraw/zinc/76/06/82/573760682.db2.gz XUSIYLJBIBDAMM-UHFFFAOYSA-N 0 0 166.224 2.305 10 0 AEAERN Cc1ccc(C(C)C)cc1N(C)C[NH3+] 258911928 573760683 /nfs/dbraw/zinc/76/06/83/573760683.db2.gz PKBONNQXYLSPQN-UHFFFAOYSA-N 0 0 192.306 2.471 10 0 AEAERN CSc1nccc(C(C)C)n1 108332668 573760412 /nfs/dbraw/zinc/76/04/12/573760412.db2.gz HOSFLWQHMCAWKR-UHFFFAOYSA-N 0 0 168.265 2.322 10 0 AEAERN Cc1cc(C)cc([C@@H]2CCC(=O)N2)c1 238506387 573760415 /nfs/dbraw/zinc/76/04/15/573760415.db2.gz BWMOGRDFAPOTQM-NSHDSACASA-N 0 0 189.258 2.255 10 0 AEAERN CC(C)C(=O)[C@@H](O)c1cccs1 258914611 573760423 /nfs/dbraw/zinc/76/04/23/573760423.db2.gz WBFSYYAWOIDWEJ-VIFPVBQESA-N 0 0 184.260 2.007 10 0 AEAERN Nc1ccc(N[C@@H]2CC=CCC2)cn1 84066357 573760430 /nfs/dbraw/zinc/76/04/30/573760430.db2.gz PKTMBPZDBXHVLP-SECBINFHSA-N 0 0 189.262 2.184 10 0 AEAERN C[C@@]12CC=C[C@@H]1C(=O)CCC2 238506680 573760483 /nfs/dbraw/zinc/76/04/83/573760483.db2.gz ZWAHECCSJCXKOS-SCZZXKLOSA-N 0 0 150.221 2.322 10 0 AEAERN CC(C)c1nc2c([nH]1)CCCC2 76090579 573760501 /nfs/dbraw/zinc/76/05/01/573760501.db2.gz XWAWZYQWQNFHCH-UHFFFAOYSA-N 0 0 164.252 2.412 10 0 AEAERN Nc1cccc(CNc2cc[nH]c2)c1 258916887 573760505 /nfs/dbraw/zinc/76/05/05/573760505.db2.gz FVMMESOLGPRWKC-UHFFFAOYSA-N 0 0 187.246 2.209 10 0 AEAERN Cc1cc(C(F)F)c(F)cn1 238506086 573760576 /nfs/dbraw/zinc/76/05/76/573760576.db2.gz XDTJOGXUGAPTRW-UHFFFAOYSA-N 0 0 161.126 2.467 10 0 AEAERN Cc1ccc2c(c1)CC[C@H]2CCO 238505849 573760661 /nfs/dbraw/zinc/76/06/61/573760661.db2.gz YEAVNLTZMVSOIJ-JTQLQIEISA-N 0 0 176.259 2.407 10 0 AEAERN CC(=O)[C@H]1C[C@@H]2C=CCC[C@@H]21 238091153 573764344 /nfs/dbraw/zinc/76/43/44/573764344.db2.gz JIAREJRXEYOFEX-LPEHRKFASA-N 0 0 150.221 2.178 10 0 AEAERN Nc1ccc(N[C@H]2CC=CCC2)nc1 84066246 573764345 /nfs/dbraw/zinc/76/43/45/573764345.db2.gz QEMMSEKRGOEADB-JTQLQIEISA-N 0 0 189.262 2.184 10 0 AEAERN CC(C)(C)[C@H]1CCC=C[C@@H]1O 238089769 573764356 /nfs/dbraw/zinc/76/43/56/573764356.db2.gz XMRZEJXQJFBEBY-IUCAKERBSA-N 0 0 154.253 2.360 10 0 AEAERN Cc1ccc(N)c([C@H]2CCC(=O)C2)c1 238507561 573763618 /nfs/dbraw/zinc/76/36/18/573763618.db2.gz GZOLCMDKDUHLGZ-VIFPVBQESA-N 0 0 189.258 2.414 10 0 AEAERN Cc1n[nH]c2[nH]c3ccccc3c12 238507414 573763654 /nfs/dbraw/zinc/76/36/54/573763654.db2.gz OKRQIJLZCQHFES-UHFFFAOYSA-N 0 0 171.203 2.353 10 0 AEAERN C[C@@H]1CNc2cc(C=O)ccc21 258122852 573763661 /nfs/dbraw/zinc/76/36/61/573763661.db2.gz PHEIHBVVHMXLBD-SSDOTTSWSA-N 0 0 161.204 2.028 10 0 AEAERN C[C@H](O)Cc1cccc2c1CCCC2 258123775 573763708 /nfs/dbraw/zinc/76/37/08/573763708.db2.gz QTXXEOWTNWTHIX-JTQLQIEISA-N 0 0 190.286 2.489 10 0 AEAERN C[C@]12CCCCCC(=O)[C@@]1(C)O2 238508111 573763710 /nfs/dbraw/zinc/76/37/10/573763710.db2.gz NTQIFUGUMFBVRT-VHSXEESVSA-N 0 0 168.236 2.067 10 0 AEAERN OC1(CC[C@@H]2CCSC2)CC1 258123857 573763721 /nfs/dbraw/zinc/76/37/21/573763721.db2.gz WJUXCNONFNXQCN-MRVPVSSYSA-N 0 0 172.293 2.045 10 0 AEAERN OC1([C@@H]2CCCSC2)CCCC1 258122478 573763781 /nfs/dbraw/zinc/76/37/81/573763781.db2.gz UDKJEOXXEWTHGN-SECBINFHSA-N 0 0 186.320 2.435 10 0 AEAERN Cc1ccc([C@@]2(C)CCC(=O)N2)cc1 257869003 573763821 /nfs/dbraw/zinc/76/38/21/573763821.db2.gz SPKLQFZCZVZJJA-GFCCVEGCSA-N 0 0 189.258 2.120 10 0 AEAERN C[C@@]12C[C@H]3C[C@H]3C(=O)[C@]1(C)C2 238507596 573763863 /nfs/dbraw/zinc/76/38/63/573763863.db2.gz SGQFTBZXXSQHOT-XFFJFQIUSA-N 0 0 150.221 2.012 10 0 AEAERN CC[C@@H](O)[C@H]1CC[C@@H](C)C1 122557498 573763883 /nfs/dbraw/zinc/76/38/83/573763883.db2.gz XVBXWFUSZXAKJZ-HRDYMLBCSA-N 0 0 142.242 2.194 10 0 AEAERN Cc1ccc([C@]2(C)CCC(=O)N2)cc1 257869004 573763885 /nfs/dbraw/zinc/76/38/85/573763885.db2.gz SPKLQFZCZVZJJA-LBPRGKRZSA-N 0 0 189.258 2.120 10 0 AEAERN Cc1ccc([C@@H](NC=O)C2CC2)cc1 238508079 573763895 /nfs/dbraw/zinc/76/38/95/573763895.db2.gz MIGQWWVEXMGMIG-GFCCVEGCSA-N 0 0 189.258 2.192 10 0 AEAERN CC(=O)[C@H]1CC[C@@H]2CCC[C@@H]21 238090049 573763940 /nfs/dbraw/zinc/76/39/40/573763940.db2.gz OHNHVPPBQCFTHZ-AEJSXWLSSA-N 0 0 152.237 2.402 10 0 AEAERN Cc1cnc(C(F)F)c(N)c1C 238507789 573763952 /nfs/dbraw/zinc/76/39/52/573763952.db2.gz PMQTUOROANHDCN-UHFFFAOYSA-N 0 0 172.178 2.218 10 0 AEAERN c1cc2cc(NCC3CC3)cnc2[nH]1 238090312 573763963 /nfs/dbraw/zinc/76/39/63/573763963.db2.gz NSYZNBYQQYWAIJ-UHFFFAOYSA-N 0 0 187.246 2.385 10 0 AEAERN OC1([C@H]2CCCSC2)CCCC1 258122480 573763996 /nfs/dbraw/zinc/76/39/96/573763996.db2.gz UDKJEOXXEWTHGN-VIFPVBQESA-N 0 0 186.320 2.435 10 0 AEAERN C[C@]12CCCCCC[C@H]1[C@@H](O)OC2 238508237 573764052 /nfs/dbraw/zinc/76/40/52/573764052.db2.gz QGWHWCWVVHITLC-GARJFASQSA-N 0 0 184.279 2.312 10 0 AEAERN Fc1ccc2c(c1)[C@H]1C[C@H]1N2 257868547 573764053 /nfs/dbraw/zinc/76/40/53/573764053.db2.gz DSJWRTWBHWIUHA-VXNVDRBHSA-N 0 0 149.168 2.107 10 0 AEAERN CC(=S)OCc1cc(C)co1 238086741 573764127 /nfs/dbraw/zinc/76/41/27/573764127.db2.gz ZFGAUHRWTXMHOE-UHFFFAOYSA-N 0 0 170.233 2.452 10 0 AEAERN c1ncc(C2CC2)s1 79205761 573764139 /nfs/dbraw/zinc/76/41/39/573764139.db2.gz KRLYPASAQFHQEY-UHFFFAOYSA-N 0 0 125.196 2.021 10 0 AEAERN C[C@@]1(c2ccccc2F)COC(=O)C1 257869084 573764161 /nfs/dbraw/zinc/76/41/61/573764161.db2.gz SRWJEGGZBJYAAP-NSHDSACASA-N 0 0 194.205 2.030 10 0 AEAERN C[C@]12CCCCCC(=O)[C@]1(C)O2 238508130 573764202 /nfs/dbraw/zinc/76/42/02/573764202.db2.gz NTQIFUGUMFBVRT-UWVGGRQHSA-N 0 0 168.236 2.067 10 0 AEAERN CC(=S)OCc1ccc(C)o1 238086784 573764219 /nfs/dbraw/zinc/76/42/19/573764219.db2.gz LQHJJAXHXDBSNE-UHFFFAOYSA-N 0 0 170.233 2.452 10 0 AEAERN CC(=O)CC1=CCC=CC=C1 238089155 573764227 /nfs/dbraw/zinc/76/42/27/573764227.db2.gz VNZHQOWCJXGRCT-UHFFFAOYSA-N 0 0 148.205 2.408 10 0 AEAERN C[C@H](CO)c1ccc2sncc2c1 258123782 573764240 /nfs/dbraw/zinc/76/42/40/573764240.db2.gz QTYNTNAVYAJBLD-SSDOTTSWSA-N 0 0 193.271 2.392 10 0 AEAERN CC(C)(C)N(O)c1ccc(C=O)cc1 238088831 573764306 /nfs/dbraw/zinc/76/43/06/573764306.db2.gz RYLQEXXQKBFRSA-UHFFFAOYSA-N 0 0 193.246 2.493 10 0 AEAERN O=Cc1ncc2cccc(Cl)c2n1 257870300 573764327 /nfs/dbraw/zinc/76/43/27/573764327.db2.gz SVXKMEATBGSYGM-UHFFFAOYSA-N 0 0 192.605 2.096 10 0 AEAERN Cn1ccc(-c2cccc(F)c2)c1N 257868971 573764334 /nfs/dbraw/zinc/76/43/34/573764334.db2.gz AHXJAQPDIHAELN-UHFFFAOYSA-N 0 0 190.221 2.413 10 0 AEAERN Cc1ccc(N)c(CCC(C)(C)O)c1 238509133 573767959 /nfs/dbraw/zinc/76/79/59/573767959.db2.gz RYLWOONTFPABON-UHFFFAOYSA-N 0 0 193.290 2.281 10 0 AEAERN CC(F)(F)c1ccc[nH]1 258928912 573767235 /nfs/dbraw/zinc/76/72/35/573767235.db2.gz AHQFILLCWKMLNJ-UHFFFAOYSA-N 0 0 131.125 2.126 10 0 AEAERN CC(=O)CCC1=C[C@H](O)CC(C)(C)C1 238093865 573767252 /nfs/dbraw/zinc/76/72/52/573767252.db2.gz YAEDMXLCFWCNDI-NSHDSACASA-N 0 0 196.290 2.463 10 0 AEAERN CCSCc1c(N)cnn1C(C)C 257872121 573767256 /nfs/dbraw/zinc/76/72/56/573767256.db2.gz FLHQLAJNXFLJNI-UHFFFAOYSA-N 0 0 199.323 2.299 10 0 AEAERN CC[C@H](O)[C@H]1CC[C@@H](C)C1 122565563 573767278 /nfs/dbraw/zinc/76/72/78/573767278.db2.gz XVBXWFUSZXAKJZ-VGMNWLOBSA-N 0 0 142.242 2.194 10 0 AEAERN CCn1cc(C)nc1COC(C)C 257872037 573767282 /nfs/dbraw/zinc/76/72/82/573767282.db2.gz IFPJXZZIYNBCBP-UHFFFAOYSA-N 0 0 182.267 2.136 10 0 AEAERN Cc1nc(Cl)c2c(O)cccn12 258125639 573767308 /nfs/dbraw/zinc/76/73/08/573767308.db2.gz GBMOETIMKLLYSR-UHFFFAOYSA-N 0 0 182.610 2.002 10 0 AEAERN CC(C)Cc1nc2n(n1)[C@H](C)CCC2 258125396 573767372 /nfs/dbraw/zinc/76/73/72/573767372.db2.gz CPWROGZQRCLCIH-SECBINFHSA-N 0 0 193.294 2.374 10 0 AEAERN O=C1C=C/C(=C/C=C/c2ccccc2)N1 308712703 573767416 /nfs/dbraw/zinc/76/74/16/573767416.db2.gz YQIODTQBHJQYTP-JHLWKMQHSA-N 0 0 197.237 2.270 10 0 AEAERN CC[C@@H](O)Cc1ccncc1Cl 84086154 573767451 /nfs/dbraw/zinc/76/74/51/573767451.db2.gz JWBWGTAWNTTXDQ-MRVPVSSYSA-N 0 0 185.654 2.048 10 0 AEAERN Cc1c(O)c2c(c3c1CC3)CCC2 238508885 573767519 /nfs/dbraw/zinc/76/75/19/573767519.db2.gz FPXPQIIUEOZUBB-UHFFFAOYSA-N 0 0 174.243 2.288 10 0 AEAERN CC[C@H](O)Cc1ccncc1Cl 84086150 573767571 /nfs/dbraw/zinc/76/75/71/573767571.db2.gz JWBWGTAWNTTXDQ-QMMMGPOBSA-N 0 0 185.654 2.048 10 0 AEAERN CS[C@@H]1CCCCC[C@@H]1O 84083112 573767607 /nfs/dbraw/zinc/76/76/07/573767607.db2.gz ZOLIJXABOOYZKB-JGVFFNPUSA-N 0 0 160.282 2.043 10 0 AEAERN O=C1C[C@H]2CC(Cl)=C[C@@H]1C2 238509596 573767628 /nfs/dbraw/zinc/76/76/28/573767628.db2.gz GLPOMXLNLYYVPI-RITPCOANSA-N 0 0 156.612 2.108 10 0 AEAERN O=C1CCC[C@](O)(c2ccccc2)C1 143463456 573767641 /nfs/dbraw/zinc/76/76/41/573767641.db2.gz QRGQOEHXZJGPPC-GFCCVEGCSA-N 0 0 190.242 2.017 10 0 AEAERN CC1=C[C@@H]1[C@H]1C[C@@H]1C 238509748 573767651 /nfs/dbraw/zinc/76/76/51/573767651.db2.gz 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/nfs/dbraw/zinc/77/02/23/573770223.db2.gz TWQSEVHXKCFTCZ-UHFFFAOYSA-N 0 0 188.230 2.134 10 0 AEAERN C[C@@H](O)CCc1ccncc1Cl 84087338 573770226 /nfs/dbraw/zinc/77/02/26/573770226.db2.gz KZGRRTQTMYOUGD-SSDOTTSWSA-N 0 0 185.654 2.048 10 0 AEAERN C[C@]12CCCC[C@@H]1COC2 238509456 573770258 /nfs/dbraw/zinc/77/02/58/573770258.db2.gz QEUDCIBUCKJNRI-RKDXNWHRSA-N 0 0 140.226 2.213 10 0 AEAERN C[C@H]1Oc2cc(O)cc(O)c2C1(C)C 238509615 573770290 /nfs/dbraw/zinc/77/02/90/573770290.db2.gz QNVSBDTXGREZNO-ZCFIWIBFSA-N 0 0 194.230 2.156 10 0 AEAERN CC1(C)C[C@@H](C(C)(C)C)C[C@@H](O)C1=O 238096120 573770291 /nfs/dbraw/zinc/77/02/91/573770291.db2.gz QYUWKLNKRIVIJV-DTWKUNHWSA-N 0 0 198.306 2.399 10 0 AEAERN CCS[C@H]1CCCCC[C@H]1O 84083014 573770292 /nfs/dbraw/zinc/77/02/92/573770292.db2.gz SDQSXPIDPCUQTD-BDAKNGLRSA-N 0 0 174.309 2.433 10 0 AEAERN Cc1ccc(CNc2ccncn2)cc1 40863011 573770312 /nfs/dbraw/zinc/77/03/12/573770312.db2.gz MBMSJZMXQOEFEP-UHFFFAOYSA-N 0 0 199.257 2.397 10 0 AEAERN CC(=O)c1ccc2c(c1)N(C)C[C@@H]2C 258124707 573770324 /nfs/dbraw/zinc/77/03/24/573770324.db2.gz PIGFZBSVBVBBBI-QMMMGPOBSA-N 0 0 189.258 2.443 10 0 AEAERN Cc1nc(CO)sc1-c1ccco1 258933322 573770336 /nfs/dbraw/zinc/77/03/36/573770336.db2.gz XNXPOGBCQIYSIZ-UHFFFAOYSA-N 0 0 195.243 2.204 10 0 AEAERN CCc1nc(C=O)oc1C(F)(F)F 257870326 573770369 /nfs/dbraw/zinc/77/03/69/573770369.db2.gz SXASAPYCJKMSDG-UHFFFAOYSA-N 0 0 193.124 2.068 10 0 AEAERN Cc1cc(C(F)F)c(O)c(F)n1 238509604 573770394 /nfs/dbraw/zinc/77/03/94/573770394.db2.gz DOMRPAPRROCDDH-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN CC[C@@H](C)[C@@H]([NH3+])C1(C(=O)[O-])CCCC1 308712238 573770476 /nfs/dbraw/zinc/77/04/76/573770476.db2.gz ZKSIEMRTJVORFX-RKDXNWHRSA-N 0 0 199.294 2.005 10 0 AEAERN CSCCCCc1cccnc1N 131140244 573770479 /nfs/dbraw/zinc/77/04/79/573770479.db2.gz RYGOIKBLHBYAQO-UHFFFAOYSA-N 0 0 196.319 2.350 10 0 AEAERN C[C@]12CCCC[C@@H]1C[C@@H]1C(=O)N[C@@H]1C2 238509642 573770487 /nfs/dbraw/zinc/77/04/87/573770487.db2.gz LWQHTLAFEODCSX-DTHBNOIPSA-N 0 0 193.290 2.091 10 0 AEAERN CC(C)Cc1nc(Cl)c[nH]1 258422352 573770493 /nfs/dbraw/zinc/77/04/93/573770493.db2.gz CWNBEAUSVLZOLN-UHFFFAOYSA-N 0 0 158.632 2.262 10 0 AEAERN Cc1nn(C)c2c(C)cc(C=O)cc12 259565428 573770523 /nfs/dbraw/zinc/77/05/23/573770523.db2.gz VSUWOYJQBRISFC-UHFFFAOYSA-N 0 0 188.230 2.003 10 0 AEAERN Cc1ccc([C@@H](O)C[C@]2(C)CO2)cc1 238509046 573770526 /nfs/dbraw/zinc/77/05/26/573770526.db2.gz GTZMCTYKFOJREX-NWDGAFQWSA-N 0 0 192.258 2.207 10 0 AEAERN OCC/C=C\c1ccc(Cl)o1 258124982 573770533 /nfs/dbraw/zinc/77/05/33/573770533.db2.gz IQKAOBFCUDEWMP-IWQZZHSRSA-N 0 0 172.611 2.329 10 0 AEAERN OCCCCc1ccncc1Cl 84088790 573770549 /nfs/dbraw/zinc/77/05/49/573770549.db2.gz LGDLCEKVCPKIQL-UHFFFAOYSA-N 0 0 185.654 2.050 10 0 AEAERN O=C1Cc2cc(Cl)ccc2C12CC2 238509238 573770604 /nfs/dbraw/zinc/77/06/04/573770604.db2.gz YFEPPZLYMLBDBA-UHFFFAOYSA-N 0 0 192.645 2.497 10 0 AEAERN OCCc1cccnc1-c1ccccc1 259185018 573770650 /nfs/dbraw/zinc/77/06/50/573770650.db2.gz LUWDVFDANXSQDH-UHFFFAOYSA-N 0 0 199.253 2.283 10 0 AEAERN Cc1cc(C(F)F)c(O)cn1 238509792 573770667 /nfs/dbraw/zinc/77/06/67/573770667.db2.gz GWQNRFLQUKDJRM-UHFFFAOYSA-N 0 0 159.135 2.033 10 0 AEAERN CCc1cccc([C@H](F)C(=O)OC)c1 257871383 573770698 /nfs/dbraw/zinc/77/06/98/573770698.db2.gz TUNFYZZVJAGDPW-JTQLQIEISA-N 0 0 196.221 2.433 10 0 AEAERN CS[C@@H]1CCCCC[C@H]1O 84083114 573770700 /nfs/dbraw/zinc/77/07/00/573770700.db2.gz ZOLIJXABOOYZKB-HTQZYQBOSA-N 0 0 160.282 2.043 10 0 AEAERN C[S@](=O)c1ccc2occc2c1 238509453 573770702 /nfs/dbraw/zinc/77/07/02/573770702.db2.gz OENYWHSNGNLHPK-LBPRGKRZSA-N 0 0 180.228 2.170 10 0 AEAERN Cc1nc2cnc(=S)[nH]c2s1 238508771 573770709 /nfs/dbraw/zinc/77/07/09/573770709.db2.gz AEMWPUXFDPTXEE-UHFFFAOYSA-N 0 0 183.261 2.057 10 0 AEAERN Nc1n[nH]cc1C1CCCCCC1 257870468 573770718 /nfs/dbraw/zinc/77/07/18/573770718.db2.gz YABFVZOWZHZTFW-UHFFFAOYSA-N 0 0 179.267 2.430 10 0 AEAERN COc1cccc(-c2cc[nH]c2N)c1 258126043 573770803 /nfs/dbraw/zinc/77/08/03/573770803.db2.gz NEHMIOXXOOOBAH-UHFFFAOYSA-N 0 0 188.230 2.273 10 0 AEAERN Cc1cccc(CNc2ccncn2)c1 40863197 573770807 /nfs/dbraw/zinc/77/08/07/573770807.db2.gz BINUKROXXNIMIL-UHFFFAOYSA-N 0 0 199.257 2.397 10 0 AEAERN C[C@H](O)CCc1ccncc1Cl 84087335 573770817 /nfs/dbraw/zinc/77/08/17/573770817.db2.gz KZGRRTQTMYOUGD-ZETCQYMHSA-N 0 0 185.654 2.048 10 0 AEAERN Cc1ccc([C@H](O)[C@@]2(C)C[C@H]2C)cn1 715347598 573770868 /nfs/dbraw/zinc/77/08/68/573770868.db2.gz OTSNWBUNUWDFJX-ZHAHWJHGSA-N 0 0 191.274 2.470 10 0 AEAERN C[C@]12CCCC[C@@H]1O[C@@H](O)CC2 238509810 573771027 /nfs/dbraw/zinc/77/10/27/573771027.db2.gz MNQWDYLWPHHJGD-IVZWLZJFSA-N 0 0 170.252 2.064 10 0 AEAERN OC1([C@@H]2CCSC2)CCCC1 258124425 573771055 /nfs/dbraw/zinc/77/10/55/573771055.db2.gz UFENVICSGASNNU-MRVPVSSYSA-N 0 0 172.293 2.045 10 0 AEAERN Cc1cnc(C(F)F)cc1F 238509716 573771074 /nfs/dbraw/zinc/77/10/74/573771074.db2.gz CLPRCAOEDNBDHQ-UHFFFAOYSA-N 0 0 161.126 2.467 10 0 AEAERN C[C@@H](C1CC1)[C@@H](NN)C1CCCC1 127072913 573770188 /nfs/dbraw/zinc/77/01/88/573770188.db2.gz RXQGDNMYFOZPRL-GZMMTYOYSA-N 0 0 182.311 2.055 10 0 AEAERN CC(=O)CC[C@@H]1CCC=CO1 238102205 573772395 /nfs/dbraw/zinc/77/23/95/573772395.db2.gz BALNDUNDWLECBQ-VIFPVBQESA-N 0 0 154.209 2.048 10 0 AEAERN O=Cc1nccc(C(F)(F)F)c1F 224667284 573772437 /nfs/dbraw/zinc/77/24/37/573772437.db2.gz OEUFKDFBLAIGCH-UHFFFAOYSA-N 0 0 193.099 2.052 10 0 AEAERN C[C@](O)(CCC1CCOCC1)C1CC1 308714600 573772438 /nfs/dbraw/zinc/77/24/38/573772438.db2.gz AQKTXUCHJFRJOR-LBPRGKRZSA-N 0 0 198.306 2.354 10 0 AEAERN Cc1ccc([C@@H]2CCC(=O)C2)c(N)c1 238510825 573772512 /nfs/dbraw/zinc/77/25/12/573772512.db2.gz MNYMFYOUISRASR-SECBINFHSA-N 0 0 189.258 2.414 10 0 AEAERN Cc1cc2ccccc(=O)c2o1 238511699 573772542 /nfs/dbraw/zinc/77/25/42/573772542.db2.gz GFAXIBMGHLSUFC-UHFFFAOYSA-N 0 0 160.172 2.101 10 0 AEAERN Fc1ccccc1Oc1ncc[nH]1 257874676 573772551 /nfs/dbraw/zinc/77/25/51/573772551.db2.gz IUXJRCPQPQVZRD-UHFFFAOYSA-N 0 0 178.166 2.341 10 0 AEAERN Cc1ccc2c(c1)CC[C@@H](O)[C@@H]2C 259181214 573772618 /nfs/dbraw/zinc/77/26/18/573772618.db2.gz IFXRCQLYMPSRKQ-BXKDBHETSA-N 0 0 176.259 2.406 10 0 AEAERN Cc1c(Cl)c2ccccn2c1CO 259567389 573772640 /nfs/dbraw/zinc/77/26/40/573772640.db2.gz SRCWHGGVLVKSFS-UHFFFAOYSA-N 0 0 195.649 2.393 10 0 AEAERN ONCc1cc2c(cc1F)CCCC2 258126489 573772642 /nfs/dbraw/zinc/77/26/42/573772642.db2.gz RBXSANFZDMJTCJ-UHFFFAOYSA-N 0 0 195.237 2.183 10 0 AEAERN COC(=O)[C@@H]1C(C)(C)C12CCCC2 259567661 573772670 /nfs/dbraw/zinc/77/26/70/573772670.db2.gz IWPJVUGZEUWHPJ-MRVPVSSYSA-N 0 0 182.263 2.376 10 0 AEAERN CCCCCOc1ccc(CO)cn1 40884148 573772674 /nfs/dbraw/zinc/77/26/74/573772674.db2.gz HUFYCEULAAQQRF-UHFFFAOYSA-N 0 0 195.262 2.143 10 0 AEAERN Nc1ccccc1C[C@H]1CCCOC1 257874502 573772678 /nfs/dbraw/zinc/77/26/78/573772678.db2.gz UIOQNUWOMHYDNJ-SNVBAGLBSA-N 0 0 191.274 2.238 10 0 AEAERN Cc1c2cc(N)cc(Cl)c2nn1C 259567261 573772698 /nfs/dbraw/zinc/77/26/98/573772698.db2.gz VWSURVYVSKDDMB-UHFFFAOYSA-N 0 0 195.653 2.117 10 0 AEAERN Cc1ccc2[nH]cc(C)c2c1O 238510700 573772706 /nfs/dbraw/zinc/77/27/06/573772706.db2.gz MCPPRANAGZOYIM-UHFFFAOYSA-N 0 0 161.204 2.490 10 0 AEAERN COc1cc(C=O)cc(Cl)c1F 108365991 573772721 /nfs/dbraw/zinc/77/27/21/573772721.db2.gz JWDAAJGVFGUJQH-UHFFFAOYSA-N 0 0 188.585 2.300 10 0 AEAERN CCCN(CC)C(=O)C[C@@H]1C[C@H]1C 308436176 573772785 /nfs/dbraw/zinc/77/27/85/573772785.db2.gz WOORFGHBZTZITP-ZJUUUORDSA-N 0 0 183.295 2.291 10 0 AEAERN Cc1cc2ccc(N)nc2nc1Cl 238510355 573772801 /nfs/dbraw/zinc/77/28/01/573772801.db2.gz VIHIHWABQWGWHX-UHFFFAOYSA-N 0 0 193.637 2.174 10 0 AEAERN Cc1ccc(N)c2c(=O)ccsc12 238510910 573772871 /nfs/dbraw/zinc/77/28/71/573772871.db2.gz XZGXZKLAGMMZKA-UHFFFAOYSA-N 0 0 191.255 2.152 10 0 AEAERN COc1c(C[C@@H](C)O)ccc(C)c1F 258126510 573772987 /nfs/dbraw/zinc/77/29/87/573772987.db2.gz RCRFIPHVUZQHCX-MRVPVSSYSA-N 0 0 198.237 2.066 10 0 AEAERN C[C@H]1Oc2ccc(O)cc2S1 238510216 573773048 /nfs/dbraw/zinc/77/30/48/573773048.db2.gz QTVPTLSTANFTCR-YFKPBYRVSA-N 0 0 168.217 2.223 10 0 AEAERN Cc1cc(Cl)c(C)c(CON)c1 258126415 573773068 /nfs/dbraw/zinc/77/30/68/573773068.db2.gz QZSWGMBFMJVEPG-UHFFFAOYSA-N 0 0 185.654 2.347 10 0 AEAERN Cc1cccc([C@@H]2COCCO2)c1C 238511242 573773084 /nfs/dbraw/zinc/77/30/84/573773084.db2.gz BLSKPNDKIBGPHG-LBPRGKRZSA-N 0 0 192.258 2.391 10 0 AEAERN C[C@@H]1C[C@H]2C=CC[C@@H](C1)C2=O 238511359 573773116 /nfs/dbraw/zinc/77/31/16/573773116.db2.gz JPLJHSMTVDBKDQ-HLTSFMKQSA-N 0 0 150.221 2.178 10 0 AEAERN CCC(C)(C)Oc1ccc(CO)cn1 40883726 573773176 /nfs/dbraw/zinc/77/31/76/573773176.db2.gz BDCOJEMQYFOBBY-UHFFFAOYSA-N 0 0 195.262 2.141 10 0 AEAERN Cc1cc2ccc(O)c(F)c2[nH]1 238510466 573773179 /nfs/dbraw/zinc/77/31/79/573773179.db2.gz LQZWHORTDYYNAQ-UHFFFAOYSA-N 0 0 165.167 2.321 10 0 AEAERN Cc1ccc([C@@H]2CCC(=O)N2)cc1F 238511326 573773210 /nfs/dbraw/zinc/77/32/10/573773210.db2.gz OHNSFMRCQJZTRS-JTQLQIEISA-N 0 0 193.221 2.085 10 0 AEAERN CCC(C)(C)Oc1ncccc1CO 40883716 573773221 /nfs/dbraw/zinc/77/32/21/573773221.db2.gz MGARFWOXQQAMJJ-UHFFFAOYSA-N 0 0 195.262 2.141 10 0 AEAERN COc1ccc([C@H](C)O)c2cc[nH]c12 258126582 573772389 /nfs/dbraw/zinc/77/23/89/573772389.db2.gz RDOVXCUBRAYDQP-ZETCQYMHSA-N 0 0 191.230 2.230 10 0 AEAERN CCC[C@@H](C)[C@@H](NN)C1CCCC1 127107157 573774181 /nfs/dbraw/zinc/77/41/81/573774181.db2.gz CALOLVPUEOCHJC-MWLCHTKSSA-N 0 0 184.327 2.445 10 0 AEAERN CC1(C)C[C@]1(CO)c1ccccc1 258931868 573774184 /nfs/dbraw/zinc/77/41/84/573774184.db2.gz AVJNCGVEFPLRDL-LBPRGKRZSA-N 0 0 176.259 2.347 10 0 AEAERN Cc1cc(C(F)F)cc(C=O)n1 238511331 573774298 /nfs/dbraw/zinc/77/42/98/573774298.db2.gz INZBZCNTYBISQW-UHFFFAOYSA-N 0 0 171.146 2.140 10 0 AEAERN c1cc2cnc3cc2c(c1)o3 100134172 573774323 /nfs/dbraw/zinc/77/43/23/573774323.db2.gz HEVMNGXXZPLLDR-UHFFFAOYSA-N 0 0 143.145 2.419 10 0 AEAERN Cc1cc(Cl)ccc1OC(N)=O 238511008 573774327 /nfs/dbraw/zinc/77/43/27/573774327.db2.gz GFFCUKVXJVVHLK-UHFFFAOYSA-N 0 0 185.610 2.106 10 0 AEAERN CNc1csc(C(C)(C)C)n1 259180295 573774364 /nfs/dbraw/zinc/77/43/64/573774364.db2.gz HEQPHDOCDPTITD-UHFFFAOYSA-N 0 0 170.281 2.482 10 0 AEAERN Cc1cc2cccc(C)c2nc1CO 238511183 573774365 /nfs/dbraw/zinc/77/43/65/573774365.db2.gz FMAMFEVWYBJISR-UHFFFAOYSA-N 0 0 187.242 2.344 10 0 AEAERN CC1(C)C[C@@]1(CO)c1ccccc1 258931867 573774429 /nfs/dbraw/zinc/77/44/29/573774429.db2.gz AVJNCGVEFPLRDL-GFCCVEGCSA-N 0 0 176.259 2.347 10 0 AEAERN Cc1cn2c(n1)-c1ccccc1NC2 238511873 573774446 /nfs/dbraw/zinc/77/44/46/573774446.db2.gz INVVHFHIGBTQFP-UHFFFAOYSA-N 0 0 185.230 2.242 10 0 AEAERN COc1ccc([C@H](C)CO)c(C)c1 257875296 573774504 /nfs/dbraw/zinc/77/45/04/573774504.db2.gz ZANCASBONDVBOO-SECBINFHSA-N 0 0 180.247 2.099 10 0 AEAERN Cc1ccc2c(c1)CC[C@H](O)[C@H]2C 259181217 573774517 /nfs/dbraw/zinc/77/45/17/573774517.db2.gz IFXRCQLYMPSRKQ-CABZTGNLSA-N 0 0 176.259 2.406 10 0 AEAERN CCCCCOc1ccnc(CO)c1 40884144 573774610 /nfs/dbraw/zinc/77/46/10/573774610.db2.gz YWQOVCCFFNSJIE-UHFFFAOYSA-N 0 0 195.262 2.143 10 0 AEAERN Cc1cncc(-c2ncccc2N)c1 122618728 573774612 /nfs/dbraw/zinc/77/46/12/573774612.db2.gz ILBKXZYLEPFWBL-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1ncccc1[C@@H](O)[C@@H](C)C1CC1 715181497 573774687 /nfs/dbraw/zinc/77/46/87/573774687.db2.gz REPVDWDRQDOLHY-UFBFGSQYSA-N 0 0 191.274 2.470 10 0 AEAERN Cc1nccc([C@H](O)CC2CCC2)n1 125070955 573774807 /nfs/dbraw/zinc/77/48/07/573774807.db2.gz CFZJYXZHOKHNQJ-LLVKDONJSA-N 0 0 192.262 2.009 10 0 AEAERN CCCN(CC)C(=O)C[C@H]1C[C@H]1C 308436171 573774818 /nfs/dbraw/zinc/77/48/18/573774818.db2.gz WOORFGHBZTZITP-NXEZZACHSA-N 0 0 183.295 2.291 10 0 AEAERN CC(C)(C)[C@H]1CC[C@@H]2OC(=O)N[C@@H]2C1 238102226 573774854 /nfs/dbraw/zinc/77/48/54/573774854.db2.gz BJQIJABTHJFPFF-YIZRAAEISA-N 0 0 197.278 2.310 10 0 AEAERN Cc1nc2nc(N)sc2cc1Cl 238510871 573774910 /nfs/dbraw/zinc/77/49/10/573774910.db2.gz SNVXWHZYHGEGIO-UHFFFAOYSA-N 0 0 199.666 2.235 10 0 AEAERN Cc1nc(C)c(C(F)F)cc1CO 238510307 573774936 /nfs/dbraw/zinc/77/49/36/573774936.db2.gz PNDXUJVRLCXWDQ-UHFFFAOYSA-N 0 0 187.189 2.128 10 0 AEAERN OC1(c2ccc3ncsc3c2)CC1 258126464 573774954 /nfs/dbraw/zinc/77/49/54/573774954.db2.gz RAYIAQAVUYLMMW-UHFFFAOYSA-N 0 0 191.255 2.278 10 0 AEAERN CC(=O)CCNc1ccc(F)c(F)c1 258936017 573776267 /nfs/dbraw/zinc/77/62/67/573776267.db2.gz PNJVVPRTIFXHJV-UHFFFAOYSA-N 0 0 199.200 2.356 10 0 AEAERN OCC(F)(F)c1c[nH]c2ccccc12 258937089 573776271 /nfs/dbraw/zinc/77/62/71/573776271.db2.gz BTSDRXSRWHJWKG-UHFFFAOYSA-N 0 0 197.184 2.252 10 0 AEAERN Cc1cc(C(F)F)cnc1F 238512250 573776345 /nfs/dbraw/zinc/77/63/45/573776345.db2.gz YIQHJHHFCHTBIY-UHFFFAOYSA-N 0 0 161.126 2.467 10 0 AEAERN C=C(C(=O)OC)c1sccc1C 258941111 573776375 /nfs/dbraw/zinc/77/63/75/573776375.db2.gz CNEMQGGGJABYSS-UHFFFAOYSA-N 0 0 182.244 2.243 10 0 AEAERN Cc1ccc2c(=O)[nH]c(=S)oc2c1 238512142 573776405 /nfs/dbraw/zinc/77/64/05/573776405.db2.gz OESNFPZGGRZWQV-UHFFFAOYSA-N 0 0 193.227 2.159 10 0 AEAERN C[C@@H]1C(=O)C[C@@H]1Cc1ccccc1 238512877 573776446 /nfs/dbraw/zinc/77/64/46/573776446.db2.gz MFCREBNBPVCQQL-ONGXEEELSA-N 0 0 174.243 2.454 10 0 AEAERN CC[C@H]1CNc2cc(OC)ccc2N1 125086034 573776469 /nfs/dbraw/zinc/77/64/69/573776469.db2.gz CPBBDEBRKTYYDC-QMMMGPOBSA-N 0 0 192.262 2.311 10 0 AEAERN Cn1cc2ccccc2c(N)c1=S 238513312 573776592 /nfs/dbraw/zinc/77/65/92/573776592.db2.gz ZFXOEXRFWHMIGM-UHFFFAOYSA-N 0 0 190.271 2.490 10 0 AEAERN Cc1cc2ccnn2cc1Cl 238513661 573776601 /nfs/dbraw/zinc/77/66/01/573776601.db2.gz AMVTYWYHWWYRED-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN CC(C)[C@@H](C)[C@H](NN)C1CCCC1 127116786 573776622 /nfs/dbraw/zinc/77/66/22/573776622.db2.gz XXIOFMHRPTYTSQ-KOLCDFICSA-N 0 0 184.327 2.301 10 0 AEAERN COC(=O)[C@]1(c2cccs2)C[C@H]1C 258936137 573776632 /nfs/dbraw/zinc/77/66/32/573776632.db2.gz BPHYCKXRIZSNRS-GMSGAONNSA-N 0 0 196.271 2.199 10 0 AEAERN CCc1cc(C[C@@H](C)O)ccc1C 258117394 573776676 /nfs/dbraw/zinc/77/66/76/573776676.db2.gz ZPGQLUFIPIAERL-SNVBAGLBSA-N 0 0 178.275 2.481 10 0 AEAERN C[C@@H](O)Cc1ccc(CCF)cc1 258118846 573776771 /nfs/dbraw/zinc/77/67/71/573776771.db2.gz QMIBJGFABDVGNP-SECBINFHSA-N 0 0 182.238 2.122 10 0 AEAERN Clc1cnnc2ccsc12 238513541 573776790 /nfs/dbraw/zinc/77/67/90/573776790.db2.gz MUUUXOJKXSHQAY-UHFFFAOYSA-N 0 0 170.624 2.345 10 0 AEAERN NC1(c2nc(C3CCCC3)co2)CC1 257876243 573776859 /nfs/dbraw/zinc/77/68/59/573776859.db2.gz UNMVWCSKYNRDIL-UHFFFAOYSA-N 0 0 192.262 2.280 10 0 AEAERN CCC[C@H](C)[C@H](NN)C1CCCC1 127106933 573776879 /nfs/dbraw/zinc/77/68/79/573776879.db2.gz CALOLVPUEOCHJC-ONGXEEELSA-N 0 0 184.327 2.445 10 0 AEAERN C[C@H](O)Cc1cccc2c1ccn2C 258117430 573776906 /nfs/dbraw/zinc/77/69/06/573776906.db2.gz LLGSSQQFLQAVDM-VIFPVBQESA-N 0 0 189.258 2.102 10 0 AEAERN CC(C)[C@@H](C)[C@@H](NN)C1CCCC1 127117212 573776991 /nfs/dbraw/zinc/77/69/91/573776991.db2.gz XXIOFMHRPTYTSQ-MWLCHTKSSA-N 0 0 184.327 2.301 10 0 AEAERN Cc1cnc(C)c(C=O)c1C(F)F 238512813 573777013 /nfs/dbraw/zinc/77/70/13/573777013.db2.gz FVKKTSGAMALTPA-UHFFFAOYSA-N 0 0 185.173 2.449 10 0 AEAERN CCSc1nc(N)cn1C(C)C 257875844 573778296 /nfs/dbraw/zinc/77/82/96/573778296.db2.gz JCMMHAFAWWUAGE-UHFFFAOYSA-N 0 0 185.296 2.158 10 0 AEAERN C[C@H]1CN(C)c2cc(C=O)ccc21 258118312 573779095 /nfs/dbraw/zinc/77/90/95/573779095.db2.gz PABSVXGBCHJPHC-QMMMGPOBSA-N 0 0 175.231 2.052 10 0 AEAERN CC(=O)Nc1scc(C)c1C(C)=O 238106938 573779106 /nfs/dbraw/zinc/77/91/06/573779106.db2.gz MRLMEIZYAORZRI-UHFFFAOYSA-N 0 0 197.259 2.218 10 0 AEAERN CCC(C)(C)[C@@H](NN)C1CCCC1 127140814 573778310 /nfs/dbraw/zinc/77/83/10/573778310.db2.gz PLJSAKMZKDWTCH-JTQLQIEISA-N 0 0 184.327 2.445 10 0 AEAERN Clc1ccc2cnn(C3CC3)c2n1 238512729 573778343 /nfs/dbraw/zinc/77/83/43/573778343.db2.gz HLKLOIHGSDMMRC-UHFFFAOYSA-N 0 0 193.637 2.420 10 0 AEAERN Cc1c[nH]c2cccc-2c1 100186578 573778382 /nfs/dbraw/zinc/77/83/82/573778382.db2.gz GICWBXKLQPCNON-UHFFFAOYSA-N 0 0 131.178 2.428 10 0 AEAERN O[C@@H]1CCC[C@@H]1Sc1ccncc1 87110371 573778408 /nfs/dbraw/zinc/77/84/08/573778408.db2.gz FPVKXTJXEPZIQG-ZJUUUORDSA-N 0 0 195.287 2.087 10 0 AEAERN CC1C(=O)[C@H](C)[C@@H]2CC[C@H]1O2 100206729 573778420 /nfs/dbraw/zinc/77/84/20/573778420.db2.gz ZTBXWZGAMYRJBE-MHSYXAOVSA-N 0 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YXYMARLXGCGMSO-UHFFFAOYSA-N 0 0 188.234 2.044 10 0 AEAERN COc1ccc(SCCO)cc1C 258946878 573786488 /nfs/dbraw/zinc/78/64/88/573786488.db2.gz APOSZLJNJMAMLW-UHFFFAOYSA-N 0 0 198.287 2.088 10 0 AEAERN CC[C@@H]1C[C@@]1(O)c1cccnc1C 87123645 573786514 /nfs/dbraw/zinc/78/65/14/573786514.db2.gz FDRJFQPBRMWFDI-KOLCDFICSA-N 0 0 177.247 2.008 10 0 AEAERN C[C@@H](SCCO)c1cccc(N)c1 40908679 573786528 /nfs/dbraw/zinc/78/65/28/573786528.db2.gz LQBYQSQVEGKPTD-MRVPVSSYSA-N 0 0 197.303 2.055 10 0 AEAERN CCCC/C=C/[C@H](O)C(F)F 215404122 573786554 /nfs/dbraw/zinc/78/65/54/573786554.db2.gz PCXIMXQCVAJLID-XPPMVYLVSA-N 0 0 164.195 2.359 10 0 AEAERN C[C@H]([NH3+])c1ccc([O-])c(Cl)c1F 108372141 573786565 /nfs/dbraw/zinc/78/65/65/573786565.db2.gz NTXZLBIPWWVWRD-BYPYZUCNSA-N 0 0 189.617 2.204 10 0 AEAERN C/C=C\C(=O)N1CCC(C(C)C)CC1 308432102 573786589 /nfs/dbraw/zinc/78/65/89/573786589.db2.gz GDEUUNWWIBECJV-PLNGDYQASA-N 0 0 195.306 2.457 10 0 AEAERN Cc1ccc(F)cc1N[C@H](C)[C@@H](C)O 87126948 573786604 /nfs/dbraw/zinc/78/66/04/573786604.db2.gz QEFKQYWGSVWHRV-RKDXNWHRSA-N 0 0 197.253 2.315 10 0 AEAERN C[C@@H](CCC1CCCCC1)NN 127183738 573786639 /nfs/dbraw/zinc/78/66/39/573786639.db2.gz XRWHGWORBNQHMD-VIFPVBQESA-N 0 0 170.300 2.199 10 0 AEAERN CCCC[C@@H](CC)[C@H](C)NN 127178129 573786667 /nfs/dbraw/zinc/78/66/67/573786667.db2.gz STTFWORRYGFCII-DTWKUNHWSA-N 0 0 158.289 2.055 10 0 AEAERN CCN[C@H](C=C(C)C)C(F)(F)F 131090911 573786689 /nfs/dbraw/zinc/78/66/89/573786689.db2.gz WNVLOEALJPDBBF-SSDOTTSWSA-N 0 0 181.201 2.493 10 0 AEAERN C/C(=C/C(=O)[O-])C[NH2+][C@@H](C)CC(C)C 308437172 573786723 /nfs/dbraw/zinc/78/67/23/573786723.db2.gz RSMWNFKJNZRYBI-MBACFSSFSA-N 0 0 199.294 2.042 10 0 AEAERN CCc1cc(N)nc(CCC(C)C)n1 50846388 573786737 /nfs/dbraw/zinc/78/67/37/573786737.db2.gz DXTVDKQUYFZWPF-UHFFFAOYSA-N 0 0 193.294 2.210 10 0 AEAERN COc1cc(F)cc(C(C)=O)c1OC 108374711 573786739 /nfs/dbraw/zinc/78/67/39/573786739.db2.gz SSVSDHJQLDYLMW-UHFFFAOYSA-N 0 0 198.193 2.046 10 0 AEAERN Cc1ccc2c(c1)C[C@@H]([C@@H](C)CO)C2 257877266 573786779 /nfs/dbraw/zinc/78/67/79/573786779.db2.gz UVTXZZTXHPDQEX-JQWIXIFHSA-N 0 0 190.286 2.338 10 0 AEAERN CC(=O)[C@@H]1CCc2c(O)cccc2C1 108372338 573786799 /nfs/dbraw/zinc/78/67/99/573786799.db2.gz OFJQUOIWGFVWQG-SECBINFHSA-N 0 0 190.242 2.086 10 0 AEAERN Cn1nc(Cl)c2c1CCCCC2 107231307 573786819 /nfs/dbraw/zinc/78/68/19/573786819.db2.gz RURNHIZSGSUICG-UHFFFAOYSA-N 0 0 184.670 2.342 10 0 AEAERN CC(C)c1c2cccc(N)c2nn1C 257877244 573786830 /nfs/dbraw/zinc/78/68/30/573786830.db2.gz UTVMECNBKKGGOA-UHFFFAOYSA-N 0 0 189.262 2.279 10 0 AEAERN CCOc1nc2cc(F)ccc2[nH]1 87117226 573786833 /nfs/dbraw/zinc/78/68/33/573786833.db2.gz LWZZOIGUNZCIOQ-UHFFFAOYSA-N 0 0 180.182 2.101 10 0 AEAERN C[C@H](O)[C@H](C)Nc1ccccc1F 87126885 573786850 /nfs/dbraw/zinc/78/68/50/573786850.db2.gz IRXAGMIWGKIHEH-YUMQZZPRSA-N 0 0 183.226 2.007 10 0 AEAERN C[C@]1(c2ccc(F)cc2F)CC[NH2+]1 84179087 573786894 /nfs/dbraw/zinc/78/68/94/573786894.db2.gz BYTNNCKUPZOATR-SNVBAGLBSA-N 0 0 183.201 2.173 10 0 AEAERN Cc1nc(Cl)c(F)c(C2CC2)n1 108371136 573786896 /nfs/dbraw/zinc/78/68/96/573786896.db2.gz YSQHCNZNJDFANA-UHFFFAOYSA-N 0 0 186.617 2.455 10 0 AEAERN Cc1ccc(C2(Cl)COC2)o1 259187155 573786952 /nfs/dbraw/zinc/78/69/52/573786952.db2.gz WPUDZLFKOUQGNI-UHFFFAOYSA-N 0 0 172.611 2.052 10 0 AEAERN CC[C@H]1C[C@@]1(O)c1cccnc1C 87123646 573786953 /nfs/dbraw/zinc/78/69/53/573786953.db2.gz FDRJFQPBRMWFDI-ONGXEEELSA-N 0 0 177.247 2.008 10 0 AEAERN C[C@H](O)[C@@H](C)Nc1ccccc1F 87126887 573786958 /nfs/dbraw/zinc/78/69/58/573786958.db2.gz IRXAGMIWGKIHEH-SFYZADRCSA-N 0 0 183.226 2.007 10 0 AEAERN CC(C)(C)Nc1cccc2nonc12 238113729 573786960 /nfs/dbraw/zinc/78/69/60/573786960.db2.gz PJARTLHBPXXHKV-UHFFFAOYSA-N 0 0 191.234 2.433 10 0 AEAERN CC[C@H]1C[C@]1(O)c1cccnc1C 87123640 573786966 /nfs/dbraw/zinc/78/69/66/573786966.db2.gz FDRJFQPBRMWFDI-GXSJLCMTSA-N 0 0 177.247 2.008 10 0 AEAERN CC[C@@H]1C[C@]1(O)c1cccnc1C 87123639 573786987 /nfs/dbraw/zinc/78/69/87/573786987.db2.gz FDRJFQPBRMWFDI-MWLCHTKSSA-N 0 0 177.247 2.008 10 0 AEAERN Cc1ccc2occ3c(N)nnc-3c2c1 238502330 573792121 /nfs/dbraw/zinc/79/21/21/573792121.db2.gz TZYVDSMHJQZSCJ-UHFFFAOYSA-N 0 0 199.213 2.218 10 0 AEAERN C[C@@H](F)COc1ccc2c(c1)CCN2 257878062 573792173 /nfs/dbraw/zinc/79/21/73/573792173.db2.gz BCLQYKIHVXDBNX-MRVPVSSYSA-N 0 0 195.237 2.391 10 0 AEAERN CCN1c2c(F)cccc2NC[C@H]1C 259188058 573792177 /nfs/dbraw/zinc/79/21/77/573792177.db2.gz KAFXDNOWCYERLA-MRVPVSSYSA-N 0 0 194.253 2.466 10 0 AEAERN CC/C=C\COC(=O)CCC 33841869 573792218 /nfs/dbraw/zinc/79/22/18/573792218.db2.gz ZZHQHHZVZDBPNY-WAYWQWQTSA-N 0 0 156.225 2.296 10 0 AEAERN C/C=C(/CCO)c1ccc(OC)cc1 308440023 573792308 /nfs/dbraw/zinc/79/23/08/573792308.db2.gz COCQXMRGBTWZTC-KMKOMSMNSA-N 0 0 192.258 2.481 10 0 AEAERN CCC(CC)C[NH2+]C/C(C)=C\C(=O)[O-] 308434083 573792345 /nfs/dbraw/zinc/79/23/45/573792345.db2.gz IWLLXBYYYDVYNT-TWGQIWQCSA-N 0 0 199.294 2.043 10 0 AEAERN CC[C@H](O)[C@@H](C)CCCCOC 131107338 573792467 /nfs/dbraw/zinc/79/24/67/573792467.db2.gz NVNRYLMETYXMKA-UWVGGRQHSA-N 0 0 174.284 2.210 10 0 AEAERN CCc1ccc([C@H](OC)N(C)C)cc1 259185615 573792525 /nfs/dbraw/zinc/79/25/25/573792525.db2.gz NNHYXFPOJDMYIO-LBPRGKRZSA-N 0 0 193.290 2.456 10 0 AEAERN CC(C)(C)Oc1cc(C=O)ccn1 238119456 573792529 /nfs/dbraw/zinc/79/25/29/573792529.db2.gz HNRRMQCFPAQNJV-UHFFFAOYSA-N 0 0 179.219 2.071 10 0 AEAERN CC(C)C1=C(C(N)=O)C[C@H](C)CC1 238104644 573792583 /nfs/dbraw/zinc/79/25/83/573792583.db2.gz CFFLRAKMWSYKPZ-MRVPVSSYSA-N 0 0 181.279 2.244 10 0 AEAERN O[C@@H](CC1CCCCC1)[C@H](O)C1CC1 78642287 573792591 /nfs/dbraw/zinc/79/25/91/573792591.db2.gz OZLWCKSASASDMJ-NWDGAFQWSA-N 0 0 198.306 2.089 10 0 AEAERN O[C@@H](C1CC1)[C@H](O)CC1CCCCC1 78642298 573792663 /nfs/dbraw/zinc/79/26/63/573792663.db2.gz OZLWCKSASASDMJ-NEPJUHHUSA-N 0 0 198.306 2.089 10 0 AEAERN COCCCC[C@H](C(C)C)[C@@H](C)O 131106511 573792668 /nfs/dbraw/zinc/79/26/68/573792668.db2.gz GGXRINMWXUCSAS-GHMZBOCLSA-N 0 0 188.311 2.456 10 0 AEAERN C=Cc1cc(C)ccc1NC=O 238520103 573792674 /nfs/dbraw/zinc/79/26/74/573792674.db2.gz MOYSOUHRNVKLHF-UHFFFAOYSA-N 0 0 161.204 2.206 10 0 AEAERN CCCC/N=c1/sc(C)c(C)n1C 100304868 573792690 /nfs/dbraw/zinc/79/26/90/573792690.db2.gz QWTHMBXEEHFPCD-ZHACJKMWSA-N 0 0 198.335 2.404 10 0 AEAERN CC(C)(C)[C@@H]1C(=O)[C@H]2CC=C[C@@H]21 238104878 573792705 /nfs/dbraw/zinc/79/27/05/573792705.db2.gz RZHYQRAOBFYVRB-CIUDSAMLSA-N 0 0 164.248 2.424 10 0 AEAERN Cc1cccc([C@]2(C)CC[C@H]2O)c1 238520612 573792783 /nfs/dbraw/zinc/79/27/83/573792783.db2.gz DNWCSZQZTMNSJL-NEPJUHHUSA-N 0 0 176.259 2.407 10 0 AEAERN CC(C)(C)/C(=C/CO)C1CC1 238119657 573792786 /nfs/dbraw/zinc/79/27/86/573792786.db2.gz WTOSBPLOKYDQAS-RMKNXTFCSA-N 0 0 154.253 2.361 10 0 AEAERN CC1C(=O)Nc2ccccc21 100294670 573792788 /nfs/dbraw/zinc/79/27/88/573792788.db2.gz JBAYRTVUCPJTBZ-UHFFFAOYSA-N 0 0 147.177 2.182 10 0 AEAERN C/C=C\C(=O)N(CC)c1ccncc1 308442244 573792792 /nfs/dbraw/zinc/79/27/92/573792792.db2.gz GXZASBAGZDTZPH-HYXAFXHYSA-N 0 0 190.246 2.011 10 0 AEAERN Cc1nc(Cl)cc(-n2cccc2)n1 238521562 573792823 /nfs/dbraw/zinc/79/28/23/573792823.db2.gz LCBIJPNZOMQONU-UHFFFAOYSA-N 0 0 193.637 2.229 10 0 AEAERN Nc1cc(F)ccc1C(=O)C1CCC1 257878155 573792843 /nfs/dbraw/zinc/79/28/43/573792843.db2.gz UXSPWPWMMXZVMV-UHFFFAOYSA-N 0 0 193.221 2.391 10 0 AEAERN CCN(C)Cc1nc(C2CC2)cs1 393590126 573792857 /nfs/dbraw/zinc/79/28/57/573792857.db2.gz MFYNGMUMBDUAPX-UHFFFAOYSA-N 0 0 196.319 2.472 10 0 AEAERN Cc1ccc(NC=O)c2ncccc12 238520210 573792861 /nfs/dbraw/zinc/79/28/61/573792861.db2.gz SSKVVMJLTRGAHL-UHFFFAOYSA-N 0 0 186.214 2.112 10 0 AEAERN c1ccc2c(c1)CN[C@@H]1CCCCN21 238104264 573792874 /nfs/dbraw/zinc/79/28/74/573792874.db2.gz ITQSNXNSRUDICI-LBPRGKRZSA-N 0 0 188.274 2.106 10 0 AEAERN Cc1cc([C@@](C)(O)C(C)C)sn1 642820538 573792880 /nfs/dbraw/zinc/79/28/80/573792880.db2.gz RJQUFAKPTUAZIB-VIFPVBQESA-N 0 0 185.292 2.031 10 0 AEAERN CC1=CNc2ccccc2N1C 238520395 573792884 /nfs/dbraw/zinc/79/28/84/573792884.db2.gz GIOYPGWPPAHWTK-UHFFFAOYSA-N 0 0 160.220 2.410 10 0 AEAERN COc1ccc2c(c1)[C@@H](F)CN2 258426263 573793397 /nfs/dbraw/zinc/79/33/97/573793397.db2.gz CLOCQQZWCUKDAP-QMMMGPOBSA-N 0 0 167.183 2.131 10 0 AEAERN CC(C)(C)[C@H]1C[C@@H]2COC(=O)N[C@@H]2C1 238103132 573793398 /nfs/dbraw/zinc/79/33/98/573793398.db2.gz GIAORLKZPDBIPX-HRDYMLBCSA-N 0 0 197.278 2.167 10 0 AEAERN Cc1cc(N[C@H](C)[C@@H](C)O)ccc1F 87129693 573793400 /nfs/dbraw/zinc/79/34/00/573793400.db2.gz NKNDNVVKJYVJKY-RKDXNWHRSA-N 0 0 197.253 2.315 10 0 AEAERN C[C@@H](O)[C@@H](C)Sc1ccccc1N 87131207 573793412 /nfs/dbraw/zinc/79/34/12/573793412.db2.gz WDKNFKIBKNPYLS-HTQZYQBOSA-N 0 0 197.303 2.130 10 0 AEAERN Cc1c(F)cccc1N[C@@H](C)[C@H](C)O 87129128 573793498 /nfs/dbraw/zinc/79/34/98/573793498.db2.gz HRJBRZYJPYOIQX-IUCAKERBSA-N 0 0 197.253 2.315 10 0 AEAERN CCc1ccc([C@@H](OC)N(C)C)cc1 259185611 573793522 /nfs/dbraw/zinc/79/35/22/573793522.db2.gz NNHYXFPOJDMYIO-GFCCVEGCSA-N 0 0 193.290 2.456 10 0 AEAERN C[C@H](O)[C@@H](C)Sc1ccccc1N 87131206 573793561 /nfs/dbraw/zinc/79/35/61/573793561.db2.gz WDKNFKIBKNPYLS-JGVFFNPUSA-N 0 0 197.303 2.130 10 0 AEAERN CC(=O)[C@]1(Cl)C[C@H]2C=C[C@@H]1C2 238103369 573793630 /nfs/dbraw/zinc/79/36/30/573793630.db2.gz SXYKADQNBDNWLN-DJLDLDEBSA-N 0 0 170.639 2.149 10 0 AEAERN Cc1cc2ncccc2cc1NC=O 238520674 573793668 /nfs/dbraw/zinc/79/36/68/573793668.db2.gz JIJAHNSCDJEMIH-UHFFFAOYSA-N 0 0 186.214 2.112 10 0 AEAERN Cc1c[nH]c2cc(F)cc(F)c2c1=O 238520321 573793760 /nfs/dbraw/zinc/79/37/60/573793760.db2.gz PWYUBMRLJQUEEJ-UHFFFAOYSA-N 0 0 195.168 2.115 10 0 AEAERN Cc1oc(CN)nc1C1CCCCC1 257878133 573793786 /nfs/dbraw/zinc/79/37/86/573793786.db2.gz UXHGTGKEFWAOPJ-UHFFFAOYSA-N 0 0 194.278 2.489 10 0 AEAERN CC(=O)CC[C@@H]1CCOC1(C)C 238102672 573793792 /nfs/dbraw/zinc/79/37/92/573793792.db2.gz XSUPLVAJCIDVDK-SECBINFHSA-N 0 0 170.252 2.171 10 0 AEAERN CC[C@H](CO)c1nc2ccccc2o1 259187900 573793801 /nfs/dbraw/zinc/79/38/01/573793801.db2.gz MCXOAHRSFBXZHS-MRVPVSSYSA-N 0 0 191.230 2.314 10 0 AEAERN CC(C)([C@@H]1CO1)[C@H](O)c1ccccc1 238103919 573793807 /nfs/dbraw/zinc/79/38/07/573793807.db2.gz DFTBUCBLULVVGY-WDEREUQCSA-N 0 0 192.258 2.145 10 0 AEAERN Clc1ccc([C@H]2CCCCO2)nn1 238520968 573793836 /nfs/dbraw/zinc/79/38/36/573793836.db2.gz PPBQQJSDPSRLPO-MRVPVSSYSA-N 0 0 198.653 2.372 10 0 AEAERN Cc1cn(C)c2c(CCO)cccc12 258130651 573793854 /nfs/dbraw/zinc/79/38/54/573793854.db2.gz PSKCIFAFVJRCRL-UHFFFAOYSA-N 0 0 189.258 2.022 10 0 AEAERN Cc1cccc([C@]2(C)CC[C@@H]2O)c1 238520573 573793858 /nfs/dbraw/zinc/79/38/58/573793858.db2.gz DNWCSZQZTMNSJL-RYUDHWBXSA-N 0 0 176.259 2.407 10 0 AEAERN C/C(=C\C[NH2+][C@H](C)C(C)(C)C)C(=O)[O-] 308440473 573793878 /nfs/dbraw/zinc/79/38/78/573793878.db2.gz YTYRUKQZMAVYLL-BNICOGTQSA-N 0 0 199.294 2.042 10 0 AEAERN CC[C@](C)(O)/C=C\[C@H](O)c1ccco1 308441975 573793912 /nfs/dbraw/zinc/79/39/12/573793912.db2.gz FZFIURAYZDRNIM-HPJPHGGJSA-N 0 0 196.246 2.030 10 0 AEAERN c1ccc2c(c1)CN[C@H]1CCCCN21 238104468 573793962 /nfs/dbraw/zinc/79/39/62/573793962.db2.gz ITQSNXNSRUDICI-GFCCVEGCSA-N 0 0 188.274 2.106 10 0 AEAERN Cc1ccc2c(c1)N[C@@H](CCO)CC2 257878403 573793992 /nfs/dbraw/zinc/79/39/92/573793992.db2.gz VAMQZGDYTPQVOF-LLVKDONJSA-N 0 0 191.274 2.104 10 0 AEAERN CCON(C)C(=O)CC[C@@H](C)CC 393563315 573798924 /nfs/dbraw/zinc/79/89/24/573798924.db2.gz DRNWFLQMMDBYSX-VIFPVBQESA-N 0 0 187.283 2.223 10 0 AEAERN CC(=O)CC[C@@H]1C=CCC1 238105107 573798928 /nfs/dbraw/zinc/79/89/28/573798928.db2.gz HCRJSFGVANRGRM-SECBINFHSA-N 0 0 138.210 2.322 10 0 AEAERN C[C@H]1C[C@@](C)(CC(C)(C)C)C(=O)N1 238514282 573798955 /nfs/dbraw/zinc/79/89/55/573798955.db2.gz RTKGWSZAGBSMKQ-KWQFWETISA-N 0 0 183.295 2.337 10 0 AEAERN CC(=O)C[C@H](O)[C@H]1CC=C(C)CC1 238126384 573799010 /nfs/dbraw/zinc/79/90/10/573799010.db2.gz ZZAUCNYAWKCATP-QWRGUYRKSA-N 0 0 182.263 2.073 10 0 AEAERN O=C1CCC[C@H](c2ccccc2F)N1 214962965 573799047 /nfs/dbraw/zinc/79/90/47/573799047.db2.gz UJVLCBUFOLRJCO-SNVBAGLBSA-N 0 0 193.221 2.167 10 0 AEAERN CSc1ccc(CON)c(C)c1 258128830 573799063 /nfs/dbraw/zinc/79/90/63/573799063.db2.gz RIRNJNLCVGPKBK-UHFFFAOYSA-N 0 0 183.276 2.107 10 0 AEAERN CC(=O)CNc1c[nH]c2ccccc12 258949854 573799087 /nfs/dbraw/zinc/79/90/87/573799087.db2.gz RIAAWVHYNQNQJX-UHFFFAOYSA-N 0 0 188.230 2.169 10 0 AEAERN Cc1ccc(C(=O)[C@@H](CO)C(C)C)o1 259189358 573799110 /nfs/dbraw/zinc/79/91/10/573799110.db2.gz RBIJVQOYJHHQNM-VIFPVBQESA-N 0 0 196.246 2.035 10 0 AEAERN Cc1ccc2c(C(N)=O)c(C)oc2c1 238515010 573799243 /nfs/dbraw/zinc/79/92/43/573799243.db2.gz AMXJIFBCHMJXDO-UHFFFAOYSA-N 0 0 189.214 2.149 10 0 AEAERN Cc1cc(Cl)cn2ccnc12 238514943 573799250 /nfs/dbraw/zinc/79/92/50/573799250.db2.gz CWWUIDQOUXBSSQ-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN Cc1cccc([C@H]2CCC(=O)C2)c1N 238514965 573799292 /nfs/dbraw/zinc/79/92/92/573799292.db2.gz OXHUQRKJRRZBQM-VIFPVBQESA-N 0 0 189.258 2.414 10 0 AEAERN O=C1CCC[C@@H](c2cccc(F)c2)N1 214961765 573799337 /nfs/dbraw/zinc/79/93/37/573799337.db2.gz FQKGITIWSAGBEF-JTQLQIEISA-N 0 0 193.221 2.167 10 0 AEAERN O[C@H]1C=CCCCCCCCC[C@@H]1O 308438830 573799349 /nfs/dbraw/zinc/79/93/49/573799349.db2.gz AHXIONNOXQTDNQ-RYUDHWBXSA-N 0 0 198.306 2.399 10 0 AEAERN Cc1cnc(C=O)c2sccc12 238514890 573799378 /nfs/dbraw/zinc/79/93/78/573799378.db2.gz GGOIGLNJDOAADK-UHFFFAOYSA-N 0 0 177.228 2.417 10 0 AEAERN C[C@@H]1CNc2c(N)cccc2SC1 259190737 573799380 /nfs/dbraw/zinc/79/93/80/573799380.db2.gz KBRGVHNRAXFMTQ-SSDOTTSWSA-N 0 0 194.303 2.423 10 0 AEAERN CC(=O)N[C@@H]1CCC[C@@H]2CCC[C@@H]21 238128882 573799413 /nfs/dbraw/zinc/79/94/13/573799413.db2.gz QYFSMHNZZQNNFN-GARJFASQSA-N 0 0 181.279 2.091 10 0 AEAERN CCc1cccc(OC(=O)OC)c1 308438126 573799435 /nfs/dbraw/zinc/79/94/35/573799435.db2.gz XRXAKCZDCWTRMS-UHFFFAOYSA-N 0 0 180.203 2.394 10 0 AEAERN O[C@H](CCC1CCOCC1)C1CCC1 308747724 573799438 /nfs/dbraw/zinc/79/94/38/573799438.db2.gz SIFDLWZKFXYXCQ-GFCCVEGCSA-N 0 0 198.306 2.354 10 0 AEAERN CC(C)(C)[C@@H]1C(=O)[C@H]2C=CC[C@@H]21 238104937 573799469 /nfs/dbraw/zinc/79/94/69/573799469.db2.gz LWVMODBYKWOMQT-CIUDSAMLSA-N 0 0 164.248 2.424 10 0 AEAERN CC(=O)C[C@H](O)C1CCCCCC1 238126149 573799476 /nfs/dbraw/zinc/79/94/76/573799476.db2.gz MTKNKQUZXZZLFT-NSHDSACASA-N 0 0 184.279 2.297 10 0 AEAERN O=C1CCC[C@@H](c2ccccc2F)N1 214962915 573799501 /nfs/dbraw/zinc/79/95/01/573799501.db2.gz UJVLCBUFOLRJCO-JTQLQIEISA-N 0 0 193.221 2.167 10 0 AEAERN C[C@]12CCC[C@@H]1CC(=O)[C@@H](F)C2 238514578 573799503 /nfs/dbraw/zinc/79/95/03/573799503.db2.gz MWPPFFSXHONOER-KHQFGBGNSA-N 0 0 170.227 2.494 10 0 AEAERN CC(C)(C)[C@@H]1C(=O)[C@@H]2C=CC[C@@H]21 238104955 573799518 /nfs/dbraw/zinc/79/95/18/573799518.db2.gz LWVMODBYKWOMQT-YIZRAAEISA-N 0 0 164.248 2.424 10 0 AEAERN Cc1cc2cnoc2cc1F 238515324 573799525 /nfs/dbraw/zinc/79/95/25/573799525.db2.gz XODCSSUOLOFROS-UHFFFAOYSA-N 0 0 151.140 2.275 10 0 AEAERN C[C@@H](O)Cc1ccsc1Cl 84288301 573799533 /nfs/dbraw/zinc/79/95/33/573799533.db2.gz QIATWGWFWHGURM-RXMQYKEDSA-N 0 0 176.668 2.325 10 0 AEAERN CC(C)(C)c1cccc(O)c1CCO 238126001 573799649 /nfs/dbraw/zinc/79/96/49/573799649.db2.gz UPDZEYZQNRPUEY-UHFFFAOYSA-N 0 0 194.274 2.225 10 0 AEAERN Cc1coc(C(=O)[C@H](N)CC(C)C)c1 716190519 573800445 /nfs/dbraw/zinc/80/04/45/573800445.db2.gz SDGFDKCJDZMVSG-SECBINFHSA-N 0 0 195.262 2.144 10 0 AEAERN Cc1ccc(N)c(NCC2CC2)c1 87149473 573800448 /nfs/dbraw/zinc/80/04/48/573800448.db2.gz NJECJYZTSKDMLM-UHFFFAOYSA-N 0 0 176.263 2.399 10 0 AEAERN NOCc1cc2c(F)cccc2s1 258131369 573799699 /nfs/dbraw/zinc/79/96/99/573799699.db2.gz KFTVUVRLSIGAGO-UHFFFAOYSA-N 0 0 197.234 2.431 10 0 AEAERN [NH3+]Cc1cnoc1[C@@H]1CCCCS1 258427209 573799716 /nfs/dbraw/zinc/79/97/16/573799716.db2.gz FLMYYYZLNSUGAQ-QMMMGPOBSA-N 0 0 198.291 2.092 10 0 AEAERN COC(=O)C(C)(C)SCC(C)C 258952432 573799731 /nfs/dbraw/zinc/79/97/31/573799731.db2.gz BFEBURMQZWGDDN-UHFFFAOYSA-N 0 0 190.308 2.327 10 0 AEAERN CC(=O)CNc1ccc(F)c(C)c1 258951949 573799762 /nfs/dbraw/zinc/79/97/62/573799762.db2.gz RPUHAJAOFQMDER-UHFFFAOYSA-N 0 0 181.210 2.135 10 0 AEAERN Clc1cccn2c(C3CC3)nnc12 258426782 573799773 /nfs/dbraw/zinc/79/97/73/573799773.db2.gz WBBBZJNLLUWRDH-UHFFFAOYSA-N 0 0 193.637 2.260 10 0 AEAERN C[C@H]1CNc2c(N)cccc2SC1 259190746 573799788 /nfs/dbraw/zinc/79/97/88/573799788.db2.gz KBRGVHNRAXFMTQ-ZETCQYMHSA-N 0 0 194.303 2.423 10 0 AEAERN CCCC1=NC(C)C(=O)S1 259190662 573799810 /nfs/dbraw/zinc/79/98/10/573799810.db2.gz GUEGZZRXZPIDBV-UHFFFAOYSA-N 0 0 157.238 2.110 10 0 AEAERN CC(=O)C[C@@H](C)C(=O)CC(C)C 238124999 573799864 /nfs/dbraw/zinc/79/98/64/573799864.db2.gz FTMGJKUQBMGUHT-MRVPVSSYSA-N 0 0 170.252 2.217 10 0 AEAERN C[C@]12CCC[C@@H]1CCC2=O 238514681 573799962 /nfs/dbraw/zinc/79/99/62/573799962.db2.gz YSTVWDGPJRGGPL-APPZFPTMSA-N 0 0 138.210 2.156 10 0 AEAERN C[C@@H]1C(=O)C[C@@H]2CC=CC[C@H]21 238515382 573799970 /nfs/dbraw/zinc/79/99/70/573799970.db2.gz APIMNJBUDLPYSZ-CIUDSAMLSA-N 0 0 150.221 2.178 10 0 AEAERN CCc1cc(C[C@H](C)O)cc(OC)c1 258131158 573799984 /nfs/dbraw/zinc/79/99/84/573799984.db2.gz RMGZPBFDFNEYFP-VIFPVBQESA-N 0 0 194.274 2.181 10 0 AEAERN Cc1c(Cl)cc(Cl)c(N)c1N 238515230 573799985 /nfs/dbraw/zinc/79/99/85/573799985.db2.gz OMTCSYLRROOSPF-UHFFFAOYSA-N 0 0 191.061 2.466 10 0 AEAERN CC(=O)CC[C@H]1CCC=CO1 238105129 573799996 /nfs/dbraw/zinc/79/99/96/573799996.db2.gz BALNDUNDWLECBQ-SECBINFHSA-N 0 0 154.209 2.048 10 0 AEAERN CC1(C)Cc2c(F)cc(O)cc2C1=O 143477812 573800021 /nfs/dbraw/zinc/80/00/21/573800021.db2.gz BVAHKZCGNVNTPT-UHFFFAOYSA-N 0 0 194.205 2.296 10 0 AEAERN CC1=C(C(C)C)[C@@H](O)C[C@@H]1C 238105547 573800038 /nfs/dbraw/zinc/80/00/38/573800038.db2.gz SNNMXIUHRJPYFR-CBAPKCEASA-N 0 0 154.253 2.360 10 0 AEAERN CCON(C)C(=O)CC[C@H](C)CC 393563313 573800039 /nfs/dbraw/zinc/80/00/39/573800039.db2.gz DRNWFLQMMDBYSX-SECBINFHSA-N 0 0 187.283 2.223 10 0 AEAERN CC(C)CCc1cc(N)c(O)cc1O 238128909 573800042 /nfs/dbraw/zinc/80/00/42/573800042.db2.gz KHIPEZHLZXOUBC-UHFFFAOYSA-N 0 0 195.262 2.269 10 0 AEAERN CC(=O)CNc1coc2ccccc12 258952004 573800053 /nfs/dbraw/zinc/80/00/53/573800053.db2.gz RROHNGOYABGUOX-UHFFFAOYSA-N 0 0 189.214 2.434 10 0 AEAERN [NH3+]Cc1cnoc1[C@H]1CCCCS1 258427207 573800069 /nfs/dbraw/zinc/80/00/69/573800069.db2.gz FLMYYYZLNSUGAQ-MRVPVSSYSA-N 0 0 198.291 2.092 10 0 AEAERN CC1=C(C(C)C)[C@H](O)C[C@@H]1C 238105574 573800071 /nfs/dbraw/zinc/80/00/71/573800071.db2.gz SNNMXIUHRJPYFR-IONNQARKSA-N 0 0 154.253 2.360 10 0 AEAERN CC(=O)c1c[nH]cc1-c1ccco1 238126451 573800102 /nfs/dbraw/zinc/80/01/02/573800102.db2.gz MRCNGWGRIMQMJR-UHFFFAOYSA-N 0 0 175.187 2.477 10 0 AEAERN CC(C)CC[C@H]1NC(=O)CC[C@H]1C 238126552 573800111 /nfs/dbraw/zinc/80/01/11/573800111.db2.gz PUUHTUVFHOHIAV-NXEZZACHSA-N 0 0 183.295 2.337 10 0 AEAERN Cc1cc(C(F)F)nc(C=O)c1C 238514712 573800147 /nfs/dbraw/zinc/80/01/47/573800147.db2.gz OSXQUOVWAVWRFW-UHFFFAOYSA-N 0 0 185.173 2.449 10 0 AEAERN Cc1ccc(C(F)(F)C(C)(C)N)o1 258951769 573800148 /nfs/dbraw/zinc/80/01/48/573800148.db2.gz FEOZKXMJJIHYKN-UHFFFAOYSA-N 0 0 189.205 2.417 10 0 AEAERN CC(C)CC(=O)c1cc(O)cc(O)c1 238125922 573800157 /nfs/dbraw/zinc/80/01/57/573800157.db2.gz HFAMWASJKMIQND-UHFFFAOYSA-N 0 0 194.230 2.327 10 0 AEAERN FC(F)(F)Cc1cc(Cl)on1 238514039 573800161 /nfs/dbraw/zinc/80/01/61/573800161.db2.gz QOSOSWRQXVVATO-UHFFFAOYSA-N 0 0 185.532 2.433 10 0 AEAERN Cc1cccc2c(CON)coc12 258128629 573800185 /nfs/dbraw/zinc/80/01/85/573800185.db2.gz KAZPTHDWCSPGFL-UHFFFAOYSA-N 0 0 177.203 2.132 10 0 AEAERN Cc1cc(C(F)F)nc(C)c1CO 238514463 573800186 /nfs/dbraw/zinc/80/01/86/573800186.db2.gz CHYSEZDJWJBOAH-UHFFFAOYSA-N 0 0 187.189 2.128 10 0 AEAERN COCc1cccc(NCC2CC2)n1 308748981 573800190 /nfs/dbraw/zinc/80/01/90/573800190.db2.gz SRZUTNAIIVTDLU-UHFFFAOYSA-N 0 0 192.262 2.050 10 0 AEAERN Cc1ccc2c(c1)NCC1(CC1)N2C 258427110 573800191 /nfs/dbraw/zinc/80/01/91/573800191.db2.gz FJWPQFXOJCCNEO-UHFFFAOYSA-N 0 0 188.274 2.389 10 0 AEAERN Cc1cccc([C@H]2CCCC2=O)c1N 238515456 573800218 /nfs/dbraw/zinc/80/02/18/573800218.db2.gz WNSWRJUUUFZDKR-SECBINFHSA-N 0 0 189.258 2.414 10 0 AEAERN O[C@@H]1CCOc2cc(Cl)sc21 84227476 573800241 /nfs/dbraw/zinc/80/02/41/573800241.db2.gz KYEQZELUIBIQML-SCSAIBSYSA-N 0 0 190.651 2.217 10 0 AEAERN CC(=O)c1cc(-c2ccc(C)o2)on1 258427061 573800251 /nfs/dbraw/zinc/80/02/51/573800251.db2.gz FJEWFNPHGHNHIV-UHFFFAOYSA-N 0 0 191.186 2.446 10 0 AEAERN O=C(Nc1ccccc1)C1(Cl)CC1 238515276 573800265 /nfs/dbraw/zinc/80/02/65/573800265.db2.gz ABRZLARGAGQHIA-UHFFFAOYSA-N 0 0 195.649 2.397 10 0 AEAERN CC(C)C1(CO)CCCC1 87155565 573800270 /nfs/dbraw/zinc/80/02/70/573800270.db2.gz XPUKBZPFJLXWJU-UHFFFAOYSA-N 0 0 142.242 2.195 10 0 AEAERN CCOc1cccc(-c2c(C)c2=O)c1 258950067 573800285 /nfs/dbraw/zinc/80/02/85/573800285.db2.gz YYRZFRXFWGGFAZ-UHFFFAOYSA-N 0 0 188.226 2.297 10 0 AEAERN CC1(C)CC(=O)c2scc(N)c2O1 84227416 573800370 /nfs/dbraw/zinc/80/03/70/573800370.db2.gz BOKSKKYOPIQGTB-UHFFFAOYSA-N 0 0 197.259 2.074 10 0 AEAERN Cc1cccc([C@H]2CCC(=O)N2)c1F 238515113 573800383 /nfs/dbraw/zinc/80/03/83/573800383.db2.gz NWYUOFCRSRPZGJ-SECBINFHSA-N 0 0 193.221 2.085 10 0 AEAERN CC(=O)c1c(O)ccc2c1OCC2=O 238125022 573800389 /nfs/dbraw/zinc/80/03/89/573800389.db2.gz BUHZCYHUFNKQHN-UHFFFAOYSA-N 0 0 192.170 2.047 10 0 AEAERN CC(C)c1cc(N)nn1C(C)(C)C 257878776 573800395 /nfs/dbraw/zinc/80/03/95/573800395.db2.gz LPMRZDBIALJLOK-UHFFFAOYSA-N 0 0 181.283 2.344 10 0 AEAERN C[C@H](O)Cc1cccc2ccncc12 258128697 573800812 /nfs/dbraw/zinc/80/08/12/573800812.db2.gz RGSGPLFGNYEFBH-VIFPVBQESA-N 0 0 187.242 2.158 10 0 AEAERN Cc1nc(CCc2ccoc2)c[nH]1 238514458 573800834 /nfs/dbraw/zinc/80/08/34/573800834.db2.gz XUYIWHWEQVDDJE-UHFFFAOYSA-N 0 0 176.219 2.096 10 0 AEAERN Cc1ccc(N)c(N(C)C(C)C)c1 87149415 573800868 /nfs/dbraw/zinc/80/08/68/573800868.db2.gz HDUZZGBGUFKMND-UHFFFAOYSA-N 0 0 178.279 2.422 10 0 AEAERN FC(F)(F)Cc1ncc(Cl)cn1 238514599 573800877 /nfs/dbraw/zinc/80/08/77/573800877.db2.gz BWLVILIUFJHSRD-UHFFFAOYSA-N 0 0 196.559 2.235 10 0 AEAERN Cc1c(N)c(C)c(Cl)c(C)c1N 238514167 573800896 /nfs/dbraw/zinc/80/08/96/573800896.db2.gz ZTCQWTCWWRPLMV-UHFFFAOYSA-N 0 0 184.670 2.430 10 0 AEAERN Cc1ncsc1[C@H](CC(C)C)NN 127250989 573800931 /nfs/dbraw/zinc/80/09/31/573800931.db2.gz AEMAZZXKJRNOFU-QMMMGPOBSA-N 0 0 199.323 2.002 10 0 AEAERN C[C@@H]1C(=O)C[C@H]2CC=CC[C@@H]12 238515344 573800947 /nfs/dbraw/zinc/80/09/47/573800947.db2.gz APIMNJBUDLPYSZ-YIZRAAEISA-N 0 0 150.221 2.178 10 0 AEAERN CCC[C@](C)(CO)C(C)C 87155568 573800988 /nfs/dbraw/zinc/80/09/88/573800988.db2.gz SHNCCWXDTFGBGA-SECBINFHSA-N 0 0 144.258 2.441 10 0 AEAERN OCCc1ccc(OC2CCC2)cc1 258130838 573800992 /nfs/dbraw/zinc/80/09/92/573800992.db2.gz RJTWWXUBTXJERE-UHFFFAOYSA-N 0 0 192.258 2.153 10 0 AEAERN CCCCN(C)C(=O)C1(F)CCC1 308437913 573801031 /nfs/dbraw/zinc/80/10/31/573801031.db2.gz XPCHWPPSASHNFJ-UHFFFAOYSA-N 0 0 187.258 2.137 10 0 AEAERN Cc1ccc(N)c(N[C@@H]2C[C@@H]2C)c1 87150093 573801049 /nfs/dbraw/zinc/80/10/49/573801049.db2.gz FYBRWQKZKVQIPT-WCBMZHEXSA-N 0 0 176.263 2.398 10 0 AEAERN Cc1nc(C=O)cc(F)c1C(F)F 238515084 573801052 /nfs/dbraw/zinc/80/10/52/573801052.db2.gz AYTVAZCLLULVNL-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN Nc1ccccc1SCCCCO 43444910 573801068 /nfs/dbraw/zinc/80/10/68/573801068.db2.gz NQAPJBTUDSWYME-UHFFFAOYSA-N 0 0 197.303 2.133 10 0 AEAERN CC(=O)C[C@H](F)C1CCC1 258428101 573801077 /nfs/dbraw/zinc/80/10/77/573801077.db2.gz CQELEQHYKPPDJW-QMMMGPOBSA-N 0 0 144.189 2.104 10 0 AEAERN Cc1cc(Cl)cn2c(C=O)cnc12 238514602 573801091 /nfs/dbraw/zinc/80/10/91/573801091.db2.gz ULYGPQXEBCSUOD-UHFFFAOYSA-N 0 0 194.621 2.109 10 0 AEAERN CCCCN1CC(=O)CCC1(C)C 258952766 573801129 /nfs/dbraw/zinc/80/11/29/573801129.db2.gz ZBTGDNOMFGYXMJ-UHFFFAOYSA-N 0 0 183.295 2.230 10 0 AEAERN C=Cc1c(C)ccnc1F 209741827 573801153 /nfs/dbraw/zinc/80/11/53/573801153.db2.gz PJJSNIXDZIDJCO-UHFFFAOYSA-N 0 0 137.157 2.172 10 0 AEAERN COC[C@@H](C)CC(=O)C1CCCC1 127239628 573801169 /nfs/dbraw/zinc/80/11/69/573801169.db2.gz JQLNDSAOVGSFEC-VIFPVBQESA-N 0 0 184.279 2.418 10 0 AEAERN C[C@@H](O)Cc1cccc2ccncc12 258128693 573801191 /nfs/dbraw/zinc/80/11/91/573801191.db2.gz RGSGPLFGNYEFBH-SECBINFHSA-N 0 0 187.242 2.158 10 0 AEAERN Cc1ccc(N2CCCC2=[NH2+])c(C)n1 87152445 573801192 /nfs/dbraw/zinc/80/11/92/573801192.db2.gz ACPULYRNESNVBM-UHFFFAOYSA-N 0 0 189.262 2.276 10 0 AEAERN Cc1ccc(N)c(N(C)CC2CC2)c1 87149786 573801216 /nfs/dbraw/zinc/80/12/16/573801216.db2.gz KDKQTQCJNNKWRI-UHFFFAOYSA-N 0 0 190.290 2.423 10 0 AEAERN Cc1nc(C=O)ccc1C(F)F 238515380 573801227 /nfs/dbraw/zinc/80/12/27/573801227.db2.gz MKQCOBIECBDREM-UHFFFAOYSA-N 0 0 171.146 2.140 10 0 AEAERN CCC[C@@](C)(CO)C(C)C 87155567 573801251 /nfs/dbraw/zinc/80/12/51/573801251.db2.gz SHNCCWXDTFGBGA-VIFPVBQESA-N 0 0 144.258 2.441 10 0 AEAERN Cc1ccc(N)c(N[C@H]2C[C@@H]2C)c1 87150095 573801257 /nfs/dbraw/zinc/80/12/57/573801257.db2.gz FYBRWQKZKVQIPT-WPRPVWTQSA-N 0 0 176.263 2.398 10 0 AEAERN Cc1ccc(N)c(N2CC[C@@H](C)C2)c1 87149803 573801264 /nfs/dbraw/zinc/80/12/64/573801264.db2.gz RJSDZYXZNQUSAT-SNVBAGLBSA-N 0 0 190.290 2.423 10 0 AEAERN CCC[C@@H](C)C(=O)[C@@H](OC)C1CC1 233271156 573801328 /nfs/dbraw/zinc/80/13/28/573801328.db2.gz NPPLMEYFTNLKLQ-KCJUWKMLSA-N 0 0 184.279 2.417 10 0 AEAERN CON(C)Cc1nc(C2CC2)cs1 308442944 573801344 /nfs/dbraw/zinc/80/13/44/573801344.db2.gz ZTZCPILKSPUIKQ-UHFFFAOYSA-N 0 0 198.291 2.014 10 0 AEAERN Cc1cc(C(F)F)nc(C)c1C=O 238514299 573801381 /nfs/dbraw/zinc/80/13/81/573801381.db2.gz UAGKRTOBGVRFIL-UHFFFAOYSA-N 0 0 185.173 2.449 10 0 AEAERN Cc1c(C(F)F)cnc(F)c1N 238515003 573801396 /nfs/dbraw/zinc/80/13/96/573801396.db2.gz RTKKQYJPCLFUHU-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN Cc1cc(-c2ccncc2)nc(C)n1 259193920 573801397 /nfs/dbraw/zinc/80/13/97/573801397.db2.gz VWXOXDZNLLUEDW-UHFFFAOYSA-N 0 0 185.230 2.155 10 0 AEAERN Cc1[nH]cnc1-c1cccc(O)c1 257878770 573801401 /nfs/dbraw/zinc/80/14/01/573801401.db2.gz LPGBHDLQBIFAEX-UHFFFAOYSA-N 0 0 174.203 2.091 10 0 AEAERN Cc1cccc([C@H]2CCC(=O)N2)c1C 238515071 573801426 /nfs/dbraw/zinc/80/14/26/573801426.db2.gz OFHGILKFEHNKHB-LLVKDONJSA-N 0 0 189.258 2.255 10 0 AEAERN O[C@H]1CCCCCCCCC=C[C@H]1O 308438828 573801432 /nfs/dbraw/zinc/80/14/32/573801432.db2.gz AHXIONNOXQTDNQ-NEPJUHHUSA-N 0 0 198.306 2.399 10 0 AEAERN Cc1nc(C=O)c(C(F)F)cc1F 238513967 573801434 /nfs/dbraw/zinc/80/14/34/573801434.db2.gz ZREXFPIWIGLGHA-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN Cn1cccc1-c1ccc(N)c(F)c1 238514331 573801451 /nfs/dbraw/zinc/80/14/51/573801451.db2.gz IRWOKQXEUZWFNF-UHFFFAOYSA-N 0 0 190.221 2.413 10 0 AEAERN C[C@@H]1SC(=O)OC1(C)C 223541934 573801457 /nfs/dbraw/zinc/80/14/57/573801457.db2.gz CBVIWCYYRZENCQ-BYPYZUCNSA-N 0 0 146.211 2.037 10 0 AEAERN Cc1cc2ccsc2c(C=O)n1 238513955 573801481 /nfs/dbraw/zinc/80/14/81/573801481.db2.gz LELKJEOEASJBAZ-UHFFFAOYSA-N 0 0 177.228 2.417 10 0 AEAERN CCc1cc(C[C@@H](C)O)cc(OC)c1 258131152 573801501 /nfs/dbraw/zinc/80/15/01/573801501.db2.gz RMGZPBFDFNEYFP-SECBINFHSA-N 0 0 194.274 2.181 10 0 AEAERN Cc1cccc([C@H]2CCCC2=O)n1 238515488 573801502 /nfs/dbraw/zinc/80/15/02/573801502.db2.gz KVSOXTNKYUWELF-SECBINFHSA-N 0 0 175.231 2.227 10 0 AEAERN COC[C@H](C)CC(=O)C1CCCC1 127239833 573801515 /nfs/dbraw/zinc/80/15/15/573801515.db2.gz JQLNDSAOVGSFEC-SECBINFHSA-N 0 0 184.279 2.418 10 0 AEAERN CCc1cc(OC)cc(C2(O)CC2)c1 258128712 573801576 /nfs/dbraw/zinc/80/15/76/573801576.db2.gz RGUSGZVJNAUXRY-UHFFFAOYSA-N 0 0 192.258 2.239 10 0 AEAERN CCCN(C)c1cc(C)ccc1N 87149591 573801591 /nfs/dbraw/zinc/80/15/91/573801591.db2.gz YVUHLMGUECGVNE-UHFFFAOYSA-N 0 0 178.279 2.423 10 0 AEAERN CC(=O)Cc1ccc2c(c1O)CCC2 258133667 573802836 /nfs/dbraw/zinc/80/28/36/573802836.db2.gz RRDLBVYRUYZTKV-UHFFFAOYSA-N 0 0 190.242 2.012 10 0 AEAERN CON[C@H](C)c1ccc(F)cc1F 108661794 573802842 /nfs/dbraw/zinc/80/28/42/573802842.db2.gz BVZILVCGJXKOCN-ZCFIWIBFSA-N 0 0 187.189 2.177 10 0 AEAERN CC(C)=C1C[C@@H]2CCC(=O)[C@@H]12 238128757 573802116 /nfs/dbraw/zinc/80/21/16/573802116.db2.gz NYGMEYMCMXBKOT-OIBJUYFYSA-N 0 0 150.221 2.322 10 0 AEAERN COC(=O)C(C)(C)Sc1ccc[nH]1 259192255 573802134 /nfs/dbraw/zinc/80/21/34/573802134.db2.gz YBGFWRLWGBYJAK-UHFFFAOYSA-N 0 0 199.275 2.058 10 0 AEAERN Cc1nc(C=O)c(F)cc1C(F)F 238514272 573802164 /nfs/dbraw/zinc/80/21/64/573802164.db2.gz ZLFTWJOLYSCIDD-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN CC/C(=C\c1cnn(C(C)C)c1)CO 308438759 573802171 /nfs/dbraw/zinc/80/21/71/573802171.db2.gz WDKGSIMTROFZKN-BJMVGYQFSA-N 0 0 194.278 2.250 10 0 AEAERN Cc1ccsc1NCC(C)(C)O 258954416 573802183 /nfs/dbraw/zinc/80/21/83/573802183.db2.gz XGTQSTCWCKUUQW-UHFFFAOYSA-N 0 0 185.292 2.239 10 0 AEAERN Cc1cccc2c1C1(CC1)[C@H](O)CC2 259194003 573802200 /nfs/dbraw/zinc/80/22/00/573802200.db2.gz IWSBGTGDQLVSEZ-LLVKDONJSA-N 0 0 188.270 2.334 10 0 AEAERN CC(C)Oc1cccc2[nH]cnc12 76208178 573802287 /nfs/dbraw/zinc/80/22/87/573802287.db2.gz GVJVLFXERPQQDE-UHFFFAOYSA-N 0 0 176.219 2.350 10 0 AEAERN CCN(C)c1cc(C)ccc1N 87149572 573802297 /nfs/dbraw/zinc/80/22/97/573802297.db2.gz FFWFMCZPUMUDKQ-UHFFFAOYSA-N 0 0 164.252 2.033 10 0 AEAERN CC(C)Oc1ccc2[nH]cnc2c1 76208182 573802310 /nfs/dbraw/zinc/80/23/10/573802310.db2.gz WQYJUSBQFJNITI-UHFFFAOYSA-N 0 0 176.219 2.350 10 0 AEAERN Cc1cnc(C=O)c(C)c1C(F)F 238514140 573802332 /nfs/dbraw/zinc/80/23/32/573802332.db2.gz XTEGTHLGQUNOFP-UHFFFAOYSA-N 0 0 185.173 2.449 10 0 AEAERN Cc1cc(C[C@H](C)O)c(F)cc1F 258133639 573802335 /nfs/dbraw/zinc/80/23/35/573802335.db2.gz RQDLMSJUNVIMCP-ZETCQYMHSA-N 0 0 186.201 2.197 10 0 AEAERN CCC(C)(C)C[NH2+]C/C=C(\C)C(=O)[O-] 308438206 573802359 /nfs/dbraw/zinc/80/23/59/573802359.db2.gz URDGWCUXSXVBAO-RMKNXTFCSA-N 0 0 199.294 2.043 10 0 AEAERN CCc1cccc(NCCCO)c1 43444135 573802401 /nfs/dbraw/zinc/80/24/01/573802401.db2.gz NYSLRUOZMMJQAD-UHFFFAOYSA-N 0 0 179.263 2.043 10 0 AEAERN CCCn1nccc1/C=C(\C)[C@H](C)O 308443336 573802528 /nfs/dbraw/zinc/80/25/28/573802528.db2.gz LJRTWAXUBZJZBV-DDXVTDLHSA-N 0 0 194.278 2.077 10 0 AEAERN CC(C)(C)S[C@@H]1NCCS1 238127160 573802565 /nfs/dbraw/zinc/80/25/65/573802565.db2.gz JLTPGQUAAFWLHZ-ZCFIWIBFSA-N 0 0 177.338 2.138 10 0 AEAERN CC(C)=C1C=C[C@H]2CC(=O)C[C@@H]12 238128143 573802589 /nfs/dbraw/zinc/80/25/89/573802589.db2.gz RXTTXRYRIWDLNM-GZMMTYOYSA-N 0 0 162.232 2.488 10 0 AEAERN CCc1sc(N)nc1CC(C)C 257878566 573802603 /nfs/dbraw/zinc/80/26/03/573802603.db2.gz LNUAHEWWFZNNHD-UHFFFAOYSA-N 0 0 184.308 2.486 10 0 AEAERN Cc1ncsc1[C@@H](CC(C)C)NN 127250787 573802606 /nfs/dbraw/zinc/80/26/06/573802606.db2.gz AEMAZZXKJRNOFU-MRVPVSSYSA-N 0 0 199.323 2.002 10 0 AEAERN CCCC(=O)N(C)c1cccc(N)c1 41022017 573802612 /nfs/dbraw/zinc/80/26/12/573802612.db2.gz NPCZPWIOHDFPKC-UHFFFAOYSA-N 0 0 192.262 2.032 10 0 AEAERN CC(C)C[C@@H](CCc1ccco1)NN 127248848 573802711 /nfs/dbraw/zinc/80/27/11/573802711.db2.gz GHTGRLYMJCZFFD-SNVBAGLBSA-N 0 0 196.294 2.090 10 0 AEAERN CC(=O)N[C@@H]1CCCC[C@@H]2CCC[C@@H]21 238128640 573802716 /nfs/dbraw/zinc/80/27/16/573802716.db2.gz LQALVYCRWUBCFW-GRYCIOLGSA-N 0 0 195.306 2.481 10 0 AEAERN CC(=O)C[C@@H](F)C1CCC1 258428100 573802728 /nfs/dbraw/zinc/80/27/28/573802728.db2.gz CQELEQHYKPPDJW-MRVPVSSYSA-N 0 0 144.189 2.104 10 0 AEAERN Cc1ccc(N)c(N[C@H]2C[C@H]2C)c1 87150098 573802732 /nfs/dbraw/zinc/80/27/32/573802732.db2.gz FYBRWQKZKVQIPT-SCZZXKLOSA-N 0 0 176.263 2.398 10 0 AEAERN Cn1ccc([C@H](O)c2ccccc2)c1 238516644 573802758 /nfs/dbraw/zinc/80/27/58/573802758.db2.gz QIDFSRSBJGVPNC-GFCCVEGCSA-N 0 0 187.242 2.107 10 0 AEAERN CC(C)=C1C=C[C@@H]2CC(=O)C[C@H]12 238128038 573802765 /nfs/dbraw/zinc/80/27/65/573802765.db2.gz RXTTXRYRIWDLNM-KCJUWKMLSA-N 0 0 162.232 2.488 10 0 AEAERN CC(C)n1cnc2ccc(C=O)cc21 76208864 573802803 /nfs/dbraw/zinc/80/28/03/573802803.db2.gz GGFDPDYSUXOPFK-UHFFFAOYSA-N 0 0 188.230 2.430 10 0 AEAERN COC(=O)[C@H](CC(C)C)n1cccc1 43437059 573802924 /nfs/dbraw/zinc/80/29/24/573802924.db2.gz VPOWNZZBOJLXPO-JTQLQIEISA-N 0 0 195.262 2.248 10 0 AEAERN C[C@H]1[C@@H]2CCC[C@@]23C(=O)CC[C@@H]13 238516676 573802951 /nfs/dbraw/zinc/80/29/51/573802951.db2.gz GHQOKQUSWPZKHD-FTYOSLGDSA-N 0 0 164.248 2.402 10 0 AEAERN Cc1ccc(N)c(N[C@@H]2C[C@H]2C)c1 87150097 573802961 /nfs/dbraw/zinc/80/29/61/573802961.db2.gz FYBRWQKZKVQIPT-PSASIEDQSA-N 0 0 176.263 2.398 10 0 AEAERN Cc1nn(C)cc1OC1CCCC1 238516790 573802978 /nfs/dbraw/zinc/80/29/78/573802978.db2.gz JGJIXEBIVQYREE-UHFFFAOYSA-N 0 0 180.251 2.050 10 0 AEAERN Cc1ccc(N)c(-n2cc(C)cn2)c1 87150462 573802998 /nfs/dbraw/zinc/80/29/98/573802998.db2.gz YSGMIDSHAWTELX-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN CC(C)(C[C@@H]1CCC[C@H]([NH3+])C1)C(=O)[O-] 238128483 573803011 /nfs/dbraw/zinc/80/30/11/573803011.db2.gz UDVQBSZSVXAXFP-BDAKNGLRSA-N 0 0 199.294 2.005 10 0 AEAERN CC(C)(C[C@@H]1CCC[C@@H]([NH3+])C1)C(=O)[O-] 238128429 573803053 /nfs/dbraw/zinc/80/30/53/573803053.db2.gz UDVQBSZSVXAXFP-RKDXNWHRSA-N 0 0 199.294 2.005 10 0 AEAERN Cc1nc([C@@H]2CCCC2=O)ccc1F 238528252 573803104 /nfs/dbraw/zinc/80/31/04/573803104.db2.gz IPYSRDWRSVTQPF-QMMMGPOBSA-N 0 0 193.221 2.366 10 0 AEAERN C[C@@H](CC(=O)C1CCCC1)[C@@H](C)O 127243505 573803119 /nfs/dbraw/zinc/80/31/19/573803119.db2.gz RYCLDBXSDGKKAH-DTWKUNHWSA-N 0 0 184.279 2.153 10 0 AEAERN Cc1cccc(/C=C2/C[C@@H]2CO)c1 238521447 573803139 /nfs/dbraw/zinc/80/31/39/573803139.db2.gz CDCRMVHZRWXOJI-HUMZTAOYSA-N 0 0 174.243 2.391 10 0 AEAERN CCOC(=O)C[C@@H]1CS[C@@H](C)C1 259570645 573803212 /nfs/dbraw/zinc/80/32/12/573803212.db2.gz JEMGIPUTLOQSDN-JGVFFNPUSA-N 0 0 188.292 2.081 10 0 AEAERN Cc1cc([C@@H](C)CO)c(C=O)cc1F 258133841 573803222 /nfs/dbraw/zinc/80/32/22/573803222.db2.gz RUWVJWSPPKBGJL-QMMMGPOBSA-N 0 0 196.221 2.042 10 0 AEAERN CCn1ccc2cc(CCO)ccc21 258135165 573803236 /nfs/dbraw/zinc/80/32/36/573803236.db2.gz MJFJWXQQZREVQJ-UHFFFAOYSA-N 0 0 189.258 2.196 10 0 AEAERN C[C@H]1SC(=O)OC1(C)C 223541877 573803336 /nfs/dbraw/zinc/80/33/36/573803336.db2.gz CBVIWCYYRZENCQ-SCSAIBSYSA-N 0 0 146.211 2.037 10 0 AEAERN C[Si](C)(C)Cc1occc1CO 238528342 573803355 /nfs/dbraw/zinc/80/33/55/573803355.db2.gz ZLDXXVHWVLXLJY-UHFFFAOYSA-N 0 0 184.311 2.192 10 0 AEAERN C[C@H]1C[C@@]12CCC1(CC1)C2=O 238516770 573803399 /nfs/dbraw/zinc/80/33/99/573803399.db2.gz YZDIXUQXVCZCJY-XVKPBYJWSA-N 0 0 150.221 2.156 10 0 AEAERN C[C@H]1CSc2cc(CCO)ccc21 258133008 573803401 /nfs/dbraw/zinc/80/34/01/573803401.db2.gz PWEYLYHPSFKCMU-QMMMGPOBSA-N 0 0 194.299 2.431 10 0 AEAERN CSc1ccc(CCCO)cc1O 258131866 573803405 /nfs/dbraw/zinc/80/34/05/573803405.db2.gz NCUFRHHYQBUGGQ-UHFFFAOYSA-N 0 0 198.287 2.039 10 0 AEAERN CCCCn1c(=O)cc(C)[nH]c1=S 100404486 573803479 /nfs/dbraw/zinc/80/34/79/573803479.db2.gz MKZJITGCWNKSMS-UHFFFAOYSA-N 0 0 198.291 2.427 10 0 AEAERN CON[C@H](C)c1ccc(F)c(F)c1 108661787 573803488 /nfs/dbraw/zinc/80/34/88/573803488.db2.gz FKTVSYZUMHZMAX-ZCFIWIBFSA-N 0 0 187.189 2.177 10 0 AEAERN Cc1cc([C@@H](C)CO)c(F)cc1F 258133627 573803490 /nfs/dbraw/zinc/80/34/90/573803490.db2.gz RPOLTIRIPOSEBE-ZETCQYMHSA-N 0 0 186.201 2.369 10 0 AEAERN CC(C)=CC[NH2+][C@@H](CC(C)C)C(=O)[O-] 43442802 573803493 /nfs/dbraw/zinc/80/34/93/573803493.db2.gz CVPYTQOBVRARBL-JTQLQIEISA-N 0 0 199.294 2.042 10 0 AEAERN Cc1ccc(N)c(N(C)C2CC2)c1 87149575 573803527 /nfs/dbraw/zinc/80/35/27/573803527.db2.gz SVPINUBYWLHLRY-UHFFFAOYSA-N 0 0 176.263 2.176 10 0 AEAERN CC(=O)C[C@H](F)C1CCCC1 258428127 573803545 /nfs/dbraw/zinc/80/35/45/573803545.db2.gz CRIFQHVUNTVKMI-VIFPVBQESA-N 0 0 158.216 2.494 10 0 AEAERN C=Cc1c(N)ncc(Cl)c1C 209741869 573803673 /nfs/dbraw/zinc/80/36/73/573803673.db2.gz XQUCOSUWHKYELZ-UHFFFAOYSA-N 0 0 168.627 2.269 10 0 AEAERN CC[C@](C)(CO)C(C)C 87155585 573803734 /nfs/dbraw/zinc/80/37/34/573803734.db2.gz YPIJDMPDVZUWJO-MRVPVSSYSA-N 0 0 130.231 2.051 10 0 AEAERN CC(C)(O)CCC(=O)C1CCCC1 127242248 573803773 /nfs/dbraw/zinc/80/37/73/573803773.db2.gz IJPNOJQCGGFPEI-UHFFFAOYSA-N 0 0 184.279 2.297 10 0 AEAERN FC(F)(F)c1ccc2c(c1)OCO2 259194205 573803776 /nfs/dbraw/zinc/80/37/76/573803776.db2.gz KPBAALQWUKRVRY-UHFFFAOYSA-N 0 0 190.120 2.434 10 0 AEAERN Cc1cccc2c1C1(CC1)[C@@H](O)CC2 259194007 573805795 /nfs/dbraw/zinc/80/57/95/573805795.db2.gz IWSBGTGDQLVSEZ-NSHDSACASA-N 0 0 188.270 2.334 10 0 AEAERN COC(=O)[C@@]1(C(C)(C)C)C[C@H]1C 258957060 573805802 /nfs/dbraw/zinc/80/58/02/573805802.db2.gz GCNKHKKQVKGIKS-GMSGAONNSA-N 0 0 170.252 2.232 10 0 AEAERN CC(C)=C1C[C@@H]2CCC(=O)[C@H]12 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144.258 2.441 10 0 AEAERN CC(C)(C)Oc1cnc(C=O)c(F)c1 238121495 573811648 /nfs/dbraw/zinc/81/16/48/573811648.db2.gz LAJGFUAHSOJTEX-UHFFFAOYSA-N 0 0 197.209 2.211 10 0 AEAERN Oc1ccc(C[C@@H]2CC[C@H](O)C2)cc1 87184059 573811659 /nfs/dbraw/zinc/81/16/59/573811659.db2.gz WMAJMPAHAACESV-JQWIXIFHSA-N 0 0 192.258 2.096 10 0 AEAERN C[C@H](O)c1ccc2c(c1)O[C@H](C)CC2 258140997 573811690 /nfs/dbraw/zinc/81/16/90/573811690.db2.gz SOMIHBFZZIOZEG-BDAKNGLRSA-N 0 0 192.258 2.453 10 0 AEAERN CCc1[nH+]cc2ccc(C)cn12 257878981 573811697 /nfs/dbraw/zinc/81/16/97/573811697.db2.gz CARZQZUJFDFBKV-UHFFFAOYSA-N 0 0 160.220 2.205 10 0 AEAERN CC(=O)c1c(O)[nH]c2ccc(F)cc12 238123152 573811724 /nfs/dbraw/zinc/81/17/24/573811724.db2.gz YLHANDNFBHQHSW-UHFFFAOYSA-N 0 0 193.177 2.215 10 0 AEAERN CC(C)(C)[C@@H](O)Cc1ccc(O)cc1 87179876 573811731 /nfs/dbraw/zinc/81/17/31/573811731.db2.gz VODBLJUCSPXBRO-NSHDSACASA-N 0 0 194.274 2.342 10 0 AEAERN C[C@H]1CCc2ccc([C@@H](C)O)cc2O1 258140998 573811757 /nfs/dbraw/zinc/81/17/57/573811757.db2.gz SOMIHBFZZIOZEG-DTWKUNHWSA-N 0 0 192.258 2.453 10 0 AEAERN CCC(CC)C[C@H](C)CO 87175082 573811775 /nfs/dbraw/zinc/81/17/75/573811775.db2.gz QYMAKLQBSYAKQY-QMMMGPOBSA-N 0 0 144.258 2.441 10 0 AEAERN C[C@@H](CO)[C@H]1CCc2c(O)cccc21 257879395 573811794 /nfs/dbraw/zinc/81/17/94/573811794.db2.gz VFEFPUKGVNEKKE-DTWKUNHWSA-N 0 0 192.258 2.050 10 0 AEAERN Oc1ccc(C[C@H]2CC[C@H](O)C2)cc1 87184061 573811800 /nfs/dbraw/zinc/81/18/00/573811800.db2.gz WMAJMPAHAACESV-PWSUYJOCSA-N 0 0 192.258 2.096 10 0 AEAERN Cc1cccc2c1[C@@]1(C)CCO[C@@H]1N2 238529969 573811805 /nfs/dbraw/zinc/81/18/05/573811805.db2.gz IARLPFRJOMTSCI-NWDGAFQWSA-N 0 0 189.258 2.425 10 0 AEAERN CCC(CC)[C@H](C)CO 87176178 573811806 /nfs/dbraw/zinc/81/18/06/573811806.db2.gz VWQDMMBTEFDWNM-SSDOTTSWSA-N 0 0 130.231 2.051 10 0 AEAERN C[C@H](CO)[C@@H]1CCc2c(O)cccc21 257879393 573811808 /nfs/dbraw/zinc/81/18/08/573811808.db2.gz VFEFPUKGVNEKKE-BDAKNGLRSA-N 0 0 192.258 2.050 10 0 AEAERN FC(F)Oc1cccc2c[nH]nc12 238530200 573811823 /nfs/dbraw/zinc/81/18/23/573811823.db2.gz RVVBOCKYXDMFPQ-UHFFFAOYSA-N 0 0 184.145 2.164 10 0 AEAERN COc1c(SC)cccc1[C@H](C)[NH3+] 258140875 573811840 /nfs/dbraw/zinc/81/18/40/573811840.db2.gz SKNASVWEVSORJZ-ZETCQYMHSA-N 0 0 197.303 2.437 10 0 AEAERN Cc1ccc2ccnn2c1Cl 238530141 573811862 /nfs/dbraw/zinc/81/18/62/573811862.db2.gz PGDNGMQRENFDPK-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN O=Cc1cnoc1[C@H]1CCCS1 258434603 573811873 /nfs/dbraw/zinc/81/18/73/573811873.db2.gz FXMPGHWBRIJETL-SSDOTTSWSA-N 0 0 183.232 2.055 10 0 AEAERN C[C@@H](O)c1c(Cl)ccc2c1CCO2 258141658 573811928 /nfs/dbraw/zinc/81/19/28/573811928.db2.gz NYJPVNKDSDRQAV-ZCFIWIBFSA-N 0 0 198.649 2.328 10 0 AEAERN CC(=O)[C@@H](C)Cc1ccc(O)cc1 87178660 573811939 /nfs/dbraw/zinc/81/19/39/573811939.db2.gz RKONDNYXZKXHAL-QMMMGPOBSA-N 0 0 178.231 2.160 10 0 AEAERN Oc1cccc(C[C@H]2CC[C@H](O)C2)c1 87184052 573811944 /nfs/dbraw/zinc/81/19/44/573811944.db2.gz DKMCTLSESAHLOO-PWSUYJOCSA-N 0 0 192.258 2.096 10 0 AEAERN Nc1cc(C2CCSCC2)ccn1 258145392 573811948 /nfs/dbraw/zinc/81/19/48/573811948.db2.gz RMKFZQDTYDZFTD-UHFFFAOYSA-N 0 0 194.303 2.274 10 0 AEAERN Cc1ccc(-c2cc(C=O)n[nH]2)s1 259197525 573811949 /nfs/dbraw/zinc/81/19/49/573811949.db2.gz KOVNQBBTGGYMRJ-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN CCc1csc(C[C@@H](CC)CO)n1 259197817 573811961 /nfs/dbraw/zinc/81/19/61/573811961.db2.gz HZKZAKDWIXUIIV-MRVPVSSYSA-N 0 0 199.319 2.267 10 0 AEAERN Oc1ccc(C[C@H](O)C2CCC2)cc1 87180724 573811997 /nfs/dbraw/zinc/81/19/97/573811997.db2.gz MILGIZQDXZTVRG-LBPRGKRZSA-N 0 0 192.258 2.096 10 0 AEAERN C[C@@H](F)Cc1cccc(CCON)c1 258140866 573812019 /nfs/dbraw/zinc/81/20/19/573812019.db2.gz SKDAUENLLPNMNR-SECBINFHSA-N 0 0 197.253 2.020 10 0 AEAERN [NH3+]C/C=C/c1ccc(Cl)cc1O 258140852 573812079 /nfs/dbraw/zinc/81/20/79/573812079.db2.gz SJXZKENSFQMGIX-OWOJBTEDSA-N 0 0 183.638 2.018 10 0 AEAERN CC(C)C(=O)Cc1cccc(O)c1 87180324 573812109 /nfs/dbraw/zinc/81/21/09/573812109.db2.gz FCXBAIJRRMSITL-UHFFFAOYSA-N 0 0 178.231 2.160 10 0 AEAERN CC[C@]1(CO)Cc2ccc(C)cc2N1 258139313 573812135 /nfs/dbraw/zinc/81/21/35/573812135.db2.gz KRFUCYHEJVAPOG-GFCCVEGCSA-N 0 0 191.274 2.104 10 0 AEAERN CSc1ccc(CCO)c(F)c1 258140822 573812147 /nfs/dbraw/zinc/81/21/47/573812147.db2.gz SISCYJWWRAENSZ-UHFFFAOYSA-N 0 0 186.251 2.082 10 0 AEAERN Cc1ccc(O)c([C@@H]2CCC(=O)O2)c1 238529511 573812187 /nfs/dbraw/zinc/81/21/87/573812187.db2.gz UUCOGJPMCOJFTI-JTQLQIEISA-N 0 0 192.214 2.079 10 0 AEAERN Cc1nc(C[C@@H]2CC[C@H](O)C2)cs1 84277262 573812208 /nfs/dbraw/zinc/81/22/08/573812208.db2.gz BSCBYVALVFWNMG-WPRPVWTQSA-N 0 0 197.303 2.155 10 0 AEAERN Oc1cccc(C[C@@H]2CC[C@@H](O)C2)c1 87184055 573812234 /nfs/dbraw/zinc/81/22/34/573812234.db2.gz DKMCTLSESAHLOO-CMPLNLGQSA-N 0 0 192.258 2.096 10 0 AEAERN CCC(CC)C(C)(C)CO 87176010 573812246 /nfs/dbraw/zinc/81/22/46/573812246.db2.gz HEQYMZTUSVDQBW-UHFFFAOYSA-N 0 0 144.258 2.441 10 0 AEAERN CC(=O)N[C@@H]1CCC[C@H]2CCC[C@@H]21 238128951 573812298 /nfs/dbraw/zinc/81/22/98/573812298.db2.gz QYFSMHNZZQNNFN-OUAUKWLOSA-N 0 0 181.279 2.091 10 0 AEAERN CC(C)(C)[C@@H](O)Cc1cccc(O)c1 87179871 573812316 /nfs/dbraw/zinc/81/23/16/573812316.db2.gz QXFLAFQYTZLWDQ-NSHDSACASA-N 0 0 194.274 2.342 10 0 AEAERN Cc1cc(-c2c(C)cccc2N)n[nH]1 238530019 573812327 /nfs/dbraw/zinc/81/23/27/573812327.db2.gz HJJBDPNFNDTLHI-UHFFFAOYSA-N 0 0 187.246 2.276 10 0 AEAERN Cc1c(C(F)F)cnc(N)c1C 238528646 573812334 /nfs/dbraw/zinc/81/23/34/573812334.db2.gz MVMCJHLMCFMXPT-UHFFFAOYSA-N 0 0 172.178 2.218 10 0 AEAERN CC(C)[C@](C)(O)Cc1ccc(O)cc1 87179454 573812361 /nfs/dbraw/zinc/81/23/61/573812361.db2.gz SNPVXQJJJAFPFW-GFCCVEGCSA-N 0 0 194.274 2.342 10 0 AEAERN Cc1ccc(O)c([C@@H]2CCC2=O)c1 238529564 573812373 /nfs/dbraw/zinc/81/23/73/573812373.db2.gz RDHXIRKZUAQHCH-QMMMGPOBSA-N 0 0 176.215 2.147 10 0 AEAERN C[C@H]1C[C@H]1C(=O)Cc1cccc(O)c1 87180548 573812394 /nfs/dbraw/zinc/81/23/94/573812394.db2.gz IXBIZIVPOYSJHW-GZMMTYOYSA-N 0 0 190.242 2.160 10 0 AEAERN CON(C)C/C=C\c1ccccc1 308447350 573819552 /nfs/dbraw/zinc/81/95/52/573819552.db2.gz BWXJOCGTVRWLFU-TWGQIWQCSA-N 0 0 177.247 2.193 10 0 AEAERN Cc1ccc(Nc2cc(=O)o[nH]2)cc1 238523959 573819581 /nfs/dbraw/zinc/81/95/81/573819581.db2.gz BKWPTCAZTURSQS-UHFFFAOYSA-N 0 0 190.202 2.020 10 0 AEAERN C=Cc1ccc2c(c1)C(=O)COC2 238136079 573819593 /nfs/dbraw/zinc/81/95/93/573819593.db2.gz VBIRXRXQUFGVPO-UHFFFAOYSA-N 0 0 174.199 2.043 10 0 AEAERN Cc1cc2occc(=O)c2c(C)c1O 238523813 573819599 /nfs/dbraw/zinc/81/95/99/573819599.db2.gz JYCJICFKXAOJFR-UHFFFAOYSA-N 0 0 190.198 2.115 10 0 AEAERN CCCC(=O)c1cnn(CCC)c1 43468171 573818898 /nfs/dbraw/zinc/81/88/98/573818898.db2.gz UJPDMXNQTHTGQM-UHFFFAOYSA-N 0 0 180.251 2.276 10 0 AEAERN C=Cc1ccc2c(n1)NCCC2 238135868 573818915 /nfs/dbraw/zinc/81/89/15/573818915.db2.gz KCDIMAKBNOZFLO-UHFFFAOYSA-N 0 0 160.220 2.083 10 0 AEAERN Cc1cc2c(ccc3cnn(C)c32)[nH]1 238524338 573818947 /nfs/dbraw/zinc/81/89/47/573818947.db2.gz YMCDJCMBJFHVRG-UHFFFAOYSA-N 0 0 185.230 2.363 10 0 AEAERN CC[C@@H](C)[C@@](C)(O)c1cnn(CC)c1 43467593 573818954 /nfs/dbraw/zinc/81/89/54/573818954.db2.gz MPYBXBSIRDURHY-MWLCHTKSSA-N 0 0 196.294 2.157 10 0 AEAERN Cc1noc2ccc([C@@H](C)CO)cc12 258145496 573818963 /nfs/dbraw/zinc/81/89/63/573818963.db2.gz SYKKXDCXQWPUPZ-ZETCQYMHSA-N 0 0 191.230 2.232 10 0 AEAERN CC[C@@H](C)[C@@H]([NH2+]C1CCCC1)C(=O)[O-] 41050351 573818979 /nfs/dbraw/zinc/81/89/79/573818979.db2.gz OPSVJZCGMAQBHM-PSASIEDQSA-N 0 0 199.294 2.018 10 0 AEAERN COCc1ccc(OC)cc1C(C)=O 258145522 573819049 /nfs/dbraw/zinc/81/90/49/573819049.db2.gz SZBPNEQUHGCYFI-UHFFFAOYSA-N 0 0 194.230 2.044 10 0 AEAERN OCC[C@@H]1CNc2cccc(Cl)c21 258148408 573819056 /nfs/dbraw/zinc/81/90/56/573819056.db2.gz QWFSHDJXDAVJLM-SSDOTTSWSA-N 0 0 197.665 2.232 10 0 AEAERN CC(C)(C)C1=CC[C@@H](C(N)=O)CC1 238137754 573819629 /nfs/dbraw/zinc/81/96/29/573819629.db2.gz QJCQFVHKYJFHRZ-MRVPVSSYSA-N 0 0 181.279 2.244 10 0 AEAERN CC(C)(C)CC(=O)[C@@H]1CCCOC1 225019532 573819631 /nfs/dbraw/zinc/81/96/31/573819631.db2.gz XLTBFKQOKJYUTL-SECBINFHSA-N 0 0 184.279 2.418 10 0 AEAERN C=Cc1cccc2c1C(=O)COC2 238138366 573819071 /nfs/dbraw/zinc/81/90/71/573819071.db2.gz OUGQOEHPAIKVLP-UHFFFAOYSA-N 0 0 174.199 2.043 10 0 AEAERN C[C@@H](O)Cc1cc2c(cc1F)CCC2 258147861 573819108 /nfs/dbraw/zinc/81/91/08/573819108.db2.gz TVOWCKCSMZDGIW-MRVPVSSYSA-N 0 0 194.249 2.238 10 0 AEAERN Cc1oc(N)nc1[C@H]1CCCSC1 258147286 573819116 /nfs/dbraw/zinc/81/91/16/573819116.db2.gz RQRSIRQJKHXUCM-ZETCQYMHSA-N 0 0 198.291 2.176 10 0 AEAERN C[C@H](CO)[C@@H]1Cc2cccc(F)c2C1 257885353 573819152 /nfs/dbraw/zinc/81/91/52/573819152.db2.gz WEDQMPXHSAVYMO-PSASIEDQSA-N 0 0 194.249 2.169 10 0 AEAERN Cc1cc(F)c(C=O)nc1C(F)F 238524086 573819198 /nfs/dbraw/zinc/81/91/98/573819198.db2.gz AFIGUCZTHCIXJH-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN OC1(Cc2ccc(Cl)o2)CCC1 258146619 573819250 /nfs/dbraw/zinc/81/92/50/573819250.db2.gz VUFNPKYOJIAQOB-UHFFFAOYSA-N 0 0 186.638 2.391 10 0 AEAERN C[C@@H](CO)[C@@H]1Cc2cccc(F)c2C1 257885357 573819281 /nfs/dbraw/zinc/81/92/81/573819281.db2.gz WEDQMPXHSAVYMO-WCBMZHEXSA-N 0 0 194.249 2.169 10 0 AEAERN Nc1n[nH]cc1-c1cccc2cc[nH]c12 258147812 573819287 /nfs/dbraw/zinc/81/92/87/573819287.db2.gz TUWZFQKCCPZAHG-UHFFFAOYSA-N 0 0 198.229 2.140 10 0 AEAERN C=Cc1ccc2c(c1)OCCN2 238136269 573819300 /nfs/dbraw/zinc/81/93/00/573819300.db2.gz MVWHZFNBPHFABF-UHFFFAOYSA-N 0 0 161.204 2.134 10 0 AEAERN C[C@H]1C[C@]1(CO)c1ccc(F)cc1F 258963671 573819302 /nfs/dbraw/zinc/81/93/02/573819302.db2.gz HBLIREAJABXGMF-WRWORJQWSA-N 0 0 198.212 2.235 10 0 AEAERN Cc1cc(C(N)=O)cc2ccsc12 238523538 573819304 /nfs/dbraw/zinc/81/93/04/573819304.db2.gz OKRGABHMGZEPCR-UHFFFAOYSA-N 0 0 191.255 2.309 10 0 AEAERN CC(=O)c1cc[nH]c1C(F)F 238138658 573819344 /nfs/dbraw/zinc/81/93/44/573819344.db2.gz RHXOUAUXRNSGBD-UHFFFAOYSA-N 0 0 159.135 2.155 10 0 AEAERN CC[C@@H](C)[C@H](C)[C@H](C)O 100788552 573819370 /nfs/dbraw/zinc/81/93/70/573819370.db2.gz LBJWJHMCZHKLQU-CSMHCCOUSA-N 0 0 130.231 2.049 10 0 AEAERN Cc1cc([C@H]2CCCO2)nc(Cl)n1 238523636 573819418 /nfs/dbraw/zinc/81/94/18/573819418.db2.gz KFHRUPRZIXBMKR-MRVPVSSYSA-N 0 0 198.653 2.290 10 0 AEAERN Cc1c[nH]c2ccc(CCCO)cc12 258147947 573819432 /nfs/dbraw/zinc/81/94/32/573819432.db2.gz TWNSORUSBBXIGN-UHFFFAOYSA-N 0 0 189.258 2.401 10 0 AEAERN CCOc1c(CNO)ccc(C)c1C 258145450 573819470 /nfs/dbraw/zinc/81/94/70/573819470.db2.gz SXSPZOVVZDRJEY-UHFFFAOYSA-N 0 0 195.262 2.181 10 0 AEAERN CC(=O)C1(C[C@H]2CC[C@H](C)O2)CC1 235657116 573819483 /nfs/dbraw/zinc/81/94/83/573819483.db2.gz OLPWJUCWAZMOKA-WCBMZHEXSA-N 0 0 182.263 2.313 10 0 AEAERN Cc1cccc(-c2ccno2)c1O 238524136 573819506 /nfs/dbraw/zinc/81/95/06/573819506.db2.gz HVZQXJISLKDUBF-UHFFFAOYSA-N 0 0 175.187 2.356 10 0 AEAERN Cn1cnc2cc(OC3CC3)ccc21 238523164 573820630 /nfs/dbraw/zinc/82/06/30/573820630.db2.gz RPJNFGOPQKIIMJ-UHFFFAOYSA-N 0 0 188.230 2.115 10 0 AEAERN Cc1cc2c(ccc3c[nH][nH]c32)n1 238524301 573820644 /nfs/dbraw/zinc/82/06/44/573820644.db2.gz YTQJPUBYUDMCTJ-UHFFFAOYSA-N 0 0 171.203 2.353 10 0 AEAERN C=Cc1cccc2c1OCC2 238138321 573820646 /nfs/dbraw/zinc/82/06/46/573820646.db2.gz DZJFYXILEDKABQ-UHFFFAOYSA-N 0 0 146.189 2.265 10 0 AEAERN CC(C)c1c[nH]c2cc(=O)ccn12 257883344 573820647 /nfs/dbraw/zinc/82/06/47/573820647.db2.gz MKJSXXAVUYBBPW-UHFFFAOYSA-N 0 0 176.219 2.163 10 0 AEAERN C[C@@H](O)C[C@H]1COc2ccc(F)cc21 258148296 573821400 /nfs/dbraw/zinc/82/14/00/573821400.db2.gz QUVILYHYBDTBPS-SFYZADRCSA-N 0 0 196.221 2.073 10 0 AEAERN Cc1cccc2nc(-c3ccco3)nn12 257883527 573820655 /nfs/dbraw/zinc/82/06/55/573820655.db2.gz FOFWPWBJZOPEHO-UHFFFAOYSA-N 0 0 199.213 2.298 10 0 AEAERN Cc1nc2c([nH]1)CNc1ccccc1-2 238523173 573820703 /nfs/dbraw/zinc/82/07/03/573820703.db2.gz OPAYWEOFIMMMKP-UHFFFAOYSA-N 0 0 185.230 2.311 10 0 AEAERN OCc1csc2c(O)cccc12 257883815 573820790 /nfs/dbraw/zinc/82/07/90/573820790.db2.gz KSFKSDNDMOXLAH-UHFFFAOYSA-N 0 0 180.228 2.099 10 0 AEAERN Oc1cccn2c(C3CCC3)cnc12 257883555 573820865 /nfs/dbraw/zinc/82/08/65/573820865.db2.gz VXYDMJKASVWRCO-UHFFFAOYSA-N 0 0 188.230 2.307 10 0 AEAERN C=Cc1cccc([C@H]2CCC(=O)N2)c1 238137621 573820928 /nfs/dbraw/zinc/82/09/28/573820928.db2.gz ICYLEVVOHBUYSY-LLVKDONJSA-N 0 0 187.242 2.281 10 0 AEAERN C[Si](C)(C)CC1CC(=O)C1 238523086 573820946 /nfs/dbraw/zinc/82/09/46/573820946.db2.gz CXRNZCIBAXQBBH-UHFFFAOYSA-N 0 0 156.301 2.304 10 0 AEAERN Nc1nc(CC2CC2)nc2ccccc12 716804396 573821021 /nfs/dbraw/zinc/82/10/21/573821021.db2.gz AUIKTFVIBJFGCF-UHFFFAOYSA-N 0 0 199.257 2.165 10 0 AEAERN CC1(C)N=C(C(C)(C)C)C(=S)N1 238138786 573821030 /nfs/dbraw/zinc/82/10/30/573821030.db2.gz BREGSMGCJXLMCF-UHFFFAOYSA-N 0 0 184.308 2.140 10 0 AEAERN CC(C)(F)[C@H](O)c1ccccc1 238135883 573821034 /nfs/dbraw/zinc/82/10/34/573821034.db2.gz AHWGLHNFRVQAGY-SECBINFHSA-N 0 0 168.211 2.468 10 0 AEAERN CC(C)=C/C(C)=C/CCO 238138845 573821041 /nfs/dbraw/zinc/82/10/41/573821041.db2.gz KTOBTOPAFGVMSA-WEVVVXLNSA-N 0 0 140.226 2.281 10 0 AEAERN CC(C)(C)C1(C)CC(=O)C1 238136221 573821070 /nfs/dbraw/zinc/82/10/70/573821070.db2.gz NADGUSHIXAAXGQ-UHFFFAOYSA-N 0 0 140.226 2.402 10 0 AEAERN Cc1cc(F)c([C@@H](C)O)cc1F 87189196 573821090 /nfs/dbraw/zinc/82/10/90/573821090.db2.gz AVFSSQGIDOFVGL-ZCFIWIBFSA-N 0 0 172.174 2.327 10 0 AEAERN Cc1cc(F)c(C(F)F)[nH]c1=O 238523448 573821091 /nfs/dbraw/zinc/82/10/91/573821091.db2.gz HDJZRCOYHRTMRE-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN COc1ccc(C(C)C)cc1NCO 258963264 573821128 /nfs/dbraw/zinc/82/11/28/573821128.db2.gz TUPJEIADQFNATL-UHFFFAOYSA-N 0 0 195.262 2.180 10 0 AEAERN C[C@H](CO)c1cccc2c1CCS2 258147868 573821153 /nfs/dbraw/zinc/82/11/53/573821153.db2.gz TVWGAGLLPMSUEI-MRVPVSSYSA-N 0 0 194.299 2.431 10 0 AEAERN C=Cc1ccc2c(c1)COCC2 238135998 573821167 /nfs/dbraw/zinc/82/11/67/573821167.db2.gz UZILHINHXQKNAW-UHFFFAOYSA-N 0 0 160.216 2.402 10 0 AEAERN Cn1cnc2ccc(OC3CC3)cc21 238523264 573821173 /nfs/dbraw/zinc/82/11/73/573821173.db2.gz IQFGZJDYIVMSJZ-UHFFFAOYSA-N 0 0 188.230 2.115 10 0 AEAERN C=Cc1ccc2c(c1)C(=O)CCN2 238136228 573821175 /nfs/dbraw/zinc/82/11/75/573821175.db2.gz NOIVVCDTLCXKLH-UHFFFAOYSA-N 0 0 173.215 2.328 10 0 AEAERN CC(C)OCc1ccc(F)cc1O 258147937 573821210 /nfs/dbraw/zinc/82/12/10/573821210.db2.gz PFDNLANRHQMNFU-UHFFFAOYSA-N 0 0 184.210 2.456 10 0 AEAERN C[C@@H]1CNc2cccc([C@@H](C)O)c21 258148272 573821239 /nfs/dbraw/zinc/82/12/39/573821239.db2.gz QUQNAZNUCGXXEZ-HTQZYQBOSA-N 0 0 177.247 2.269 10 0 AEAERN C[C@@H](C1CC1)[C@H](NN)c1ccccc1 127317012 573821253 /nfs/dbraw/zinc/82/12/53/573821253.db2.gz VRWLKNBDMWIVDJ-CABZTGNLSA-N 0 0 190.290 2.237 10 0 AEAERN CN(O)CCc1ccccc1Cl 257883352 573821277 /nfs/dbraw/zinc/82/12/77/573821277.db2.gz MKTDLHWJLGFXIN-UHFFFAOYSA-N 0 0 185.654 2.204 10 0 AEAERN OCCCc1ccc2c(c1)CCS2 258145452 573821288 /nfs/dbraw/zinc/82/12/88/573821288.db2.gz SXVFGACODRSIOQ-UHFFFAOYSA-N 0 0 194.299 2.260 10 0 AEAERN Cc1cc2ocnc2c(Cl)n1 238524075 573821312 /nfs/dbraw/zinc/82/13/12/573821312.db2.gz XLFAPYKSDBSHER-UHFFFAOYSA-N 0 0 168.583 2.185 10 0 AEAERN C=Cc1ccc2c(c1)CCOC2 238136114 573821330 /nfs/dbraw/zinc/82/13/30/573821330.db2.gz KTTVXJWEYRNXFM-UHFFFAOYSA-N 0 0 160.216 2.402 10 0 AEAERN C=Cc1cccc2c1CCC(=O)C2 238138021 573821345 /nfs/dbraw/zinc/82/13/45/573821345.db2.gz QUQIFSVQAGSRNW-UHFFFAOYSA-N 0 0 172.227 2.387 10 0 AEAERN CCCc1nc(C)c(NC)s1 259204263 573821349 /nfs/dbraw/zinc/82/13/49/573821349.db2.gz HOWWQQKPFLHPEU-UHFFFAOYSA-N 0 0 170.281 2.446 10 0 AEAERN CCOc1ccc(C2CC(O)C2)cc1 87200211 573822431 /nfs/dbraw/zinc/82/24/31/573822431.db2.gz UPZUDUUFHBCYNQ-UHFFFAOYSA-N 0 0 192.258 2.324 10 0 AEAERN Cc1cc2oncc2cc1F 238524242 573822565 /nfs/dbraw/zinc/82/25/65/573822565.db2.gz SOICUEXPCDJWLZ-UHFFFAOYSA-N 0 0 151.140 2.275 10 0 AEAERN Nc1cccc2c(C3CCC3)[nH]nc12 257883333 573822567 /nfs/dbraw/zinc/82/25/67/573822567.db2.gz MKDPHKMZRBHMLN-UHFFFAOYSA-N 0 0 187.246 2.413 10 0 AEAERN OC1CC(c2ccc(F)c(F)c2)C1 87200218 573822648 /nfs/dbraw/zinc/82/26/48/573822648.db2.gz ITAQXTXNRDIQPD-UHFFFAOYSA-N 0 0 184.185 2.203 10 0 AEAERN Cc1cc2oc(C)nc2c(Cl)n1 238523403 573822649 /nfs/dbraw/zinc/82/26/49/573822649.db2.gz PJOMZHYHRZBOSO-UHFFFAOYSA-N 0 0 182.610 2.493 10 0 AEAERN CC(=O)SC/C=C/Br 238129532 573822668 /nfs/dbraw/zinc/82/26/68/573822668.db2.gz LPNYZNHEVKXULX-NSCUHMNNSA-N 0 0 195.081 2.175 10 0 AEAERN Cc1cc(C2CC(O)C2)ccc1F 87200233 573822678 /nfs/dbraw/zinc/82/26/78/573822678.db2.gz KOJUPWBQZNAEAX-UHFFFAOYSA-N 0 0 180.222 2.372 10 0 AEAERN CCCCCOC(=O)[C@@H](C)OCC 308446971 573822718 /nfs/dbraw/zinc/82/27/18/573822718.db2.gz BRBVVOVDVUWJLF-SECBINFHSA-N 0 0 188.267 2.145 10 0 AEAERN CN[C@@H](C)C(F)(F)CC1CCC1 257883356 573822754 /nfs/dbraw/zinc/82/27/54/573822754.db2.gz MKXKQAIXAZUZCX-ZETCQYMHSA-N 0 0 177.238 2.420 10 0 AEAERN COc1ccc(C)cc1C1CC(O)C1 87200376 573822763 /nfs/dbraw/zinc/82/27/63/573822763.db2.gz BVKVUTQRLHHYNM-UHFFFAOYSA-N 0 0 192.258 2.242 10 0 AEAERN FC(F)Oc1c[nH]c2cccnc12 238524425 573822784 /nfs/dbraw/zinc/82/27/84/573822784.db2.gz ABMRLTWKDXYHOW-UHFFFAOYSA-N 0 0 184.145 2.164 10 0 AEAERN COc1nc(-c2ccncc2)cs1 259203895 573822831 /nfs/dbraw/zinc/82/28/31/573822831.db2.gz ILIFCMRTUNYPBN-UHFFFAOYSA-N 0 0 192.243 2.214 10 0 AEAERN CC[C@@H](C)C[C@H](O)c1cnn(CC)c1 87198916 573822832 /nfs/dbraw/zinc/82/28/32/573822832.db2.gz IQXSCNXGPVCJLU-KOLCDFICSA-N 0 0 196.294 2.373 10 0 AEAERN COC(=O)[C@]1(C(C)C)CC1(C)C 258963632 573822835 /nfs/dbraw/zinc/82/28/35/573822835.db2.gz HAIYEYNBJHCNBY-SNVBAGLBSA-N 0 0 170.252 2.232 10 0 AEAERN C[C@H](O)c1c[nH]nc1-c1ccccc1 87199117 573822976 /nfs/dbraw/zinc/82/29/76/573822976.db2.gz OPFGLCHIVAYIPV-QMMMGPOBSA-N 0 0 188.230 2.130 10 0 AEAERN CSc1cnn([C@H](C)C2CC2)c1N 87196157 573823167 /nfs/dbraw/zinc/82/31/67/573823167.db2.gz XTTQNSFZEVAWIW-ZCFIWIBFSA-N 0 0 197.307 2.158 10 0 AEAERN OC1CC(c2cc(F)ccc2F)C1 87200346 573823208 /nfs/dbraw/zinc/82/32/08/573823208.db2.gz IIUMRKJIPYCNDP-UHFFFAOYSA-N 0 0 184.185 2.203 10 0 AEAERN CCOc1cccc(C2CC(O)C2)c1 87200227 573825091 /nfs/dbraw/zinc/82/50/91/573825091.db2.gz ZJSAIHBUMUFLTI-UHFFFAOYSA-N 0 0 192.258 2.324 10 0 AEAERN Cc1cc(F)ccc1C1CC(O)C1 87200266 573825108 /nfs/dbraw/zinc/82/51/08/573825108.db2.gz VZSHGGJDWDYNPD-UHFFFAOYSA-N 0 0 180.222 2.372 10 0 AEAERN O=C1CCC(O)(CC2CCCC2)CC1 84323216 573825115 /nfs/dbraw/zinc/82/51/15/573825115.db2.gz PLQZBDMJFZUBGA-UHFFFAOYSA-N 0 0 196.290 2.441 10 0 AEAERN CC(C)(C)c1n[nH]cc1OC1CC1 238130470 573824345 /nfs/dbraw/zinc/82/43/45/573824345.db2.gz YVFQIRAHFMYFFZ-UHFFFAOYSA-N 0 0 180.251 2.248 10 0 AEAERN Cc1cnc(F)c(C=O)c1C(F)F 238525906 573824380 /nfs/dbraw/zinc/82/43/80/573824380.db2.gz OPRYZABZFSYXKK-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN C[C@@H]1C[C@@]1(O)Cc1cccc(F)c1F 87196512 573824384 /nfs/dbraw/zinc/82/43/84/573824384.db2.gz NNZVGVCSKZCSQD-RDDDGLTNSA-N 0 0 198.212 2.278 10 0 AEAERN Cc1c(N)cccc1[C@H]1CCCC1=O 238524702 573824392 /nfs/dbraw/zinc/82/43/92/573824392.db2.gz XKWWOXYQNLEYLR-SNVBAGLBSA-N 0 0 189.258 2.414 10 0 AEAERN Cc1ccc([C@]2(C)CNC(=O)O2)s1 258149167 573824419 /nfs/dbraw/zinc/82/44/19/573824419.db2.gz DIJNQBZWQOLFKA-VIFPVBQESA-N 0 0 197.259 2.012 10 0 AEAERN CNc1cccc(NCCCOC)c1 259202922 573824432 /nfs/dbraw/zinc/82/44/32/573824432.db2.gz JBBYCNWTBSCLNQ-UHFFFAOYSA-N 0 0 194.278 2.177 10 0 AEAERN Clc1ncccc1-c1ncco1 238524853 573824434 /nfs/dbraw/zinc/82/44/34/573824434.db2.gz PLJXPAHEGMSPHK-UHFFFAOYSA-N 0 0 180.594 2.390 10 0 AEAERN C[C@]12CC[C@H]1CCCC2=O 238526472 573824447 /nfs/dbraw/zinc/82/44/47/573824447.db2.gz JCXIWEGTAICFRF-APPZFPTMSA-N 0 0 138.210 2.156 10 0 AEAERN C[C@@H]1C[C@]1(O)Cc1cccc(F)c1F 87196510 573824463 /nfs/dbraw/zinc/82/44/63/573824463.db2.gz NNZVGVCSKZCSQD-HQJQHLMTSA-N 0 0 198.212 2.278 10 0 AEAERN Cc1cc(F)c(N)nc1C(F)F 238525894 573824492 /nfs/dbraw/zinc/82/44/92/573824492.db2.gz VKJWQVBTEMQVES-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN Cc1cc2scc(C)c2c(CO)n1 238525027 573824498 /nfs/dbraw/zinc/82/44/98/573824498.db2.gz NBEZJIZQFLNWNN-UHFFFAOYSA-N 0 0 193.271 2.405 10 0 AEAERN CC1([C@H](O)CCC2CCOCC2)CC1 308750024 573824564 /nfs/dbraw/zinc/82/45/64/573824564.db2.gz TYVYHFKWIGNJTG-LLVKDONJSA-N 0 0 198.306 2.354 10 0 AEAERN Cc1cnc(F)c(N)c1C(F)F 238526189 573824567 /nfs/dbraw/zinc/82/45/67/573824567.db2.gz TZDMQVLVBNLJNW-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN CCc1ccc(C2CC(O)C2)cc1 87200344 573824588 /nfs/dbraw/zinc/82/45/88/573824588.db2.gz UFCPLDSDEYOCMS-UHFFFAOYSA-N 0 0 176.259 2.487 10 0 AEAERN CC(C)=C1C[C@H]2CCC(=O)[C@@H]12 238129052 573824594 /nfs/dbraw/zinc/82/45/94/573824594.db2.gz NYGMEYMCMXBKOT-GMSGAONNSA-N 0 0 150.221 2.322 10 0 AEAERN Nc1cc([C@@H]2CCSC2)ccc1O 257884517 573824605 /nfs/dbraw/zinc/82/46/05/573824605.db2.gz VYWXAOZASSDWKM-MRVPVSSYSA-N 0 0 195.287 2.195 10 0 AEAERN CSc1cnn(C2CCCC2)c1N 87196149 573824612 /nfs/dbraw/zinc/82/46/12/573824612.db2.gz WSLGULQOPCRADN-UHFFFAOYSA-N 0 0 197.307 2.302 10 0 AEAERN C[Si](C)(C)CCSCCO 238524738 573824735 /nfs/dbraw/zinc/82/47/35/573824735.db2.gz VSOBBKKLJVVVQC-UHFFFAOYSA-N 0 0 178.373 2.050 10 0 AEAERN CN(CC(C)(C)C)c1cccnc1N 122778553 573824781 /nfs/dbraw/zinc/82/47/81/573824781.db2.gz IOTRMBKLSMNTJE-UHFFFAOYSA-N 0 0 193.294 2.146 10 0 AEAERN COCN(C)c1ccc(F)c(F)c1 258964264 573824794 /nfs/dbraw/zinc/82/47/94/573824794.db2.gz BALABJIIMMECBH-UHFFFAOYSA-N 0 0 187.189 2.005 10 0 AEAERN CC[C@@H](C)n1ncc(SC)c1N 87196153 573825118 /nfs/dbraw/zinc/82/51/18/573825118.db2.gz PJVZKURRHRZEAE-ZCFIWIBFSA-N 0 0 185.296 2.158 10 0 AEAERN COCc1ccc(OC)cc1C 79416211 573824855 /nfs/dbraw/zinc/82/48/55/573824855.db2.gz XHRDNKLTQCFMJD-UHFFFAOYSA-N 0 0 166.220 2.150 10 0 AEAERN CC[C@@H](C)C[C@@H](O)c1c(C)cnn1C 308447921 573824875 /nfs/dbraw/zinc/82/48/75/573824875.db2.gz BFYMNUJPDCACKQ-PSASIEDQSA-N 0 0 196.294 2.198 10 0 AEAERN CC(C)(C[C@H]1CCC[C@H]([NH3+])C1)C(=O)[O-] 238129513 573824883 /nfs/dbraw/zinc/82/48/83/573824883.db2.gz UDVQBSZSVXAXFP-IUCAKERBSA-N 0 0 199.294 2.005 10 0 AEAERN Cc1ccc([C@@H]2[C@@H](CO)C2(F)F)cc1 238525329 573824891 /nfs/dbraw/zinc/82/48/91/573824891.db2.gz BHWWMHHLHZOMDW-NXEZZACHSA-N 0 0 198.212 2.336 10 0 AEAERN CC(C)(C)c1cnc(CC=O)cn1 238129308 573824898 /nfs/dbraw/zinc/82/48/98/573824898.db2.gz XZDLWHZCNDJLMB-SNAWJCMRSA-N 0 0 178.235 2.303 10 0 AEAERN COc1ccc(C2CC(O)C2)cc1F 87200373 573824900 /nfs/dbraw/zinc/82/49/00/573824900.db2.gz KPHNCMSGJVCHDT-UHFFFAOYSA-N 0 0 196.221 2.073 10 0 AEAERN COC(=O)[C@]1(c2ccc(C)o2)C[C@@H]1C 258964551 573824924 /nfs/dbraw/zinc/82/49/24/573824924.db2.gz HETAYKDDONLZOZ-WRWORJQWSA-N 0 0 194.230 2.039 10 0 AEAERN C=CC(=C=C(C)C)CCO 238131295 573824927 /nfs/dbraw/zinc/82/49/27/573824927.db2.gz FWZAZMPZWHATHP-UHFFFAOYSA-N 0 0 138.210 2.046 10 0 AEAERN CCSc1cnn(C(C)C)c1N 87196243 573824936 /nfs/dbraw/zinc/82/49/36/573824936.db2.gz MIRCNBUBIMCKCX-UHFFFAOYSA-N 0 0 185.296 2.158 10 0 AEAERN Cc1c[nH]c(F)c(C(F)F)c1=O 238525775 573824969 /nfs/dbraw/zinc/82/49/69/573824969.db2.gz PANNEYNOVSEYEZ-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN OC1CC(c2ccc(F)cc2F)C1 87200220 573824981 /nfs/dbraw/zinc/82/49/81/573824981.db2.gz ZFFOSIOFGDSCFT-UHFFFAOYSA-N 0 0 184.185 2.203 10 0 AEAERN CCCCCc1nc(CCC)n[nH]1 41057372 573825019 /nfs/dbraw/zinc/82/50/19/573825019.db2.gz LIXGCGNGYLGSMX-UHFFFAOYSA-N 0 0 181.283 2.490 10 0 AEAERN CCNc1nccc(C(C)C)n1 87203708 573825983 /nfs/dbraw/zinc/82/59/83/573825983.db2.gz HXWUSGBYJBSRLQ-UHFFFAOYSA-N 0 0 165.240 2.032 10 0 AEAERN CCCCc1nc(CCC)n[nH]1 41057338 573825984 /nfs/dbraw/zinc/82/59/84/573825984.db2.gz XAWPWLZVLQNTMT-UHFFFAOYSA-N 0 0 167.256 2.100 10 0 AEAERN Cc1cc(F)c([C@]2(C)CC[NH2+]2)cc1F 87220707 573825995 /nfs/dbraw/zinc/82/59/95/573825995.db2.gz YYZNYMMWKSQFJG-NSHDSACASA-N 0 0 197.228 2.482 10 0 AEAERN CCCC(CCC)CC(=O)NOC 308444751 573826005 /nfs/dbraw/zinc/82/60/05/573826005.db2.gz AVIODLRCTUOUOP-UHFFFAOYSA-N 0 0 187.283 2.271 10 0 AEAERN CCN1c2c(O)cccc2NC[C@H]1C 259204787 573826023 /nfs/dbraw/zinc/82/60/23/573826023.db2.gz KXRPLFXBNKLQFX-MRVPVSSYSA-N 0 0 192.262 2.033 10 0 AEAERN COCCCCC1(CO)CCCC1 131406647 573826038 /nfs/dbraw/zinc/82/60/38/573826038.db2.gz NADLUXIIEHVSGH-UHFFFAOYSA-N 0 0 186.295 2.356 10 0 AEAERN Cn1nc(C2CCC2)cc1Cl 238524897 573825315 /nfs/dbraw/zinc/82/53/15/573825315.db2.gz NPIBHUNXRDDWBQ-UHFFFAOYSA-N 0 0 170.643 2.341 10 0 AEAERN Cc1ccc(C2CC(O)C2)s1 87200289 573825334 /nfs/dbraw/zinc/82/53/34/573825334.db2.gz KRHNSHASEJNNQW-UHFFFAOYSA-N 0 0 168.261 2.295 10 0 AEAERN C[C@H]1C[C@]1(O)Cc1cccc(F)c1F 87196511 573825352 /nfs/dbraw/zinc/82/53/52/573825352.db2.gz NNZVGVCSKZCSQD-CPCISQLKSA-N 0 0 198.212 2.278 10 0 AEAERN ClC=C1C=COC=C1 238525506 573825381 /nfs/dbraw/zinc/82/53/81/573825381.db2.gz KQVJPNXIFKOVEM-UHFFFAOYSA-N 0 0 128.558 2.167 10 0 AEAERN Cc1c(C(=N)NO)oc2ccccc12 238524602 573825514 /nfs/dbraw/zinc/82/55/14/573825514.db2.gz MRPNBZZOPNNPGW-UHFFFAOYSA-N 0 0 190.202 2.045 10 0 AEAERN Cc1cnc(Cl)c2ncoc12 238524667 573825594 /nfs/dbraw/zinc/82/55/94/573825594.db2.gz PKRFDZQJQOQKDG-UHFFFAOYSA-N 0 0 168.583 2.185 10 0 AEAERN Cc1cnc(F)c(C(F)F)c1N 238525745 573825619 /nfs/dbraw/zinc/82/56/19/573825619.db2.gz AQHHALFPFDBJTA-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN CCCC[C@H]([NH2+][C@@H](C)CC)C(=O)[O-] 41053456 573825631 /nfs/dbraw/zinc/82/56/31/573825631.db2.gz CVVCMKZDEWOXCI-IUCAKERBSA-N 0 0 187.283 2.018 10 0 AEAERN C[C@]12CC[C@H](O)C=C1CCCC[C@@H]2O 238525854 573825732 /nfs/dbraw/zinc/82/57/32/573825732.db2.gz IUWOGRKLVUGVEE-SRVKXCTJSA-N 0 0 196.290 2.009 10 0 AEAERN Cc1cc(F)c(N)c(C(F)F)n1 238525663 573825746 /nfs/dbraw/zinc/82/57/46/573825746.db2.gz WEGMGNNEZANPFC-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN O=C1CCC(O)(C2CCCCC2)CC1 84323207 573825795 /nfs/dbraw/zinc/82/57/95/573825795.db2.gz AWEPRQGRKRQWGM-UHFFFAOYSA-N 0 0 196.290 2.441 10 0 AEAERN CO[C@@H](/C=C\c1ccccc1)CCO 308444660 573825797 /nfs/dbraw/zinc/82/57/97/573825797.db2.gz AKJPFHONUJCJPP-KRZKBDHCSA-N 0 0 192.258 2.097 10 0 AEAERN CC(C)=CC1=C[C@H](O)CCC1 238140145 573825801 /nfs/dbraw/zinc/82/58/01/573825801.db2.gz SALDITRVEWUHAB-SNVBAGLBSA-N 0 0 152.237 2.424 10 0 AEAERN CC(C)[C@@H](C)[C@@H](NN)c1ccccc1 127335724 573825834 /nfs/dbraw/zinc/82/58/34/573825834.db2.gz LQCPMXDWVPEJNG-ZYHUDNBSSA-N 0 0 192.306 2.483 10 0 AEAERN Cn1c(C=O)cc2cc(F)cc(F)c21 257884599 573825838 /nfs/dbraw/zinc/82/58/38/573825838.db2.gz WAJVCNFIYJQMAM-UHFFFAOYSA-N 0 0 195.168 2.269 10 0 AEAERN Nc1cc(Cl)nc2c(O)cccc12 258148925 573825856 /nfs/dbraw/zinc/82/58/56/573825856.db2.gz RTYZDRZNYUMUQA-UHFFFAOYSA-N 0 0 194.621 2.176 10 0 AEAERN Cc1c(N)cnc(F)c1C(F)F 238526239 573825858 /nfs/dbraw/zinc/82/58/58/573825858.db2.gz XYFVSUOHAKKQAL-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN Cc1c(N)cccc1[C@H]1CCC(=O)C1 238524662 573825877 /nfs/dbraw/zinc/82/58/77/573825877.db2.gz RPNMPWSTXTYZBB-VIFPVBQESA-N 0 0 189.258 2.414 10 0 AEAERN CC(C)(C[C@H]1CCC[C@@H]([NH3+])C1)C(=O)[O-] 238129454 573825894 /nfs/dbraw/zinc/82/58/94/573825894.db2.gz UDVQBSZSVXAXFP-DTWKUNHWSA-N 0 0 199.294 2.005 10 0 AEAERN CC(C)=CC1=C[C@@H](O)CCC1 238140093 573825924 /nfs/dbraw/zinc/82/59/24/573825924.db2.gz SALDITRVEWUHAB-JTQLQIEISA-N 0 0 152.237 2.424 10 0 AEAERN CCNc1ncc(C)c(C(C)C)n1 87203739 573827632 /nfs/dbraw/zinc/82/76/32/573827632.db2.gz TWMDVEXOXVYZNS-UHFFFAOYSA-N 0 0 179.267 2.340 10 0 AEAERN COCc1coc2cc(O)ccc12 258148847 573827634 /nfs/dbraw/zinc/82/76/34/573827634.db2.gz WPQXVRTYZIJCTQ-UHFFFAOYSA-N 0 0 178.187 2.285 10 0 AEAERN COC(=O)[C@]1(c2ccc(C)o2)C[C@H]1C 258964547 573827640 /nfs/dbraw/zinc/82/76/40/573827640.db2.gz HETAYKDDONLZOZ-RDDDGLTNSA-N 0 0 194.230 2.039 10 0 AEAERN Cc1cc(F)c2c(c1F)CC[NH2+][C@@H]2C 87220371 573827673 /nfs/dbraw/zinc/82/76/73/573827673.db2.gz AFJGMFLZKBAPAC-SSDOTTSWSA-N 0 0 197.228 2.480 10 0 AEAERN CC[C@H](C)C[C@H](O)c1c(C)cnn1C 308447924 573827700 /nfs/dbraw/zinc/82/77/00/573827700.db2.gz BFYMNUJPDCACKQ-WPRPVWTQSA-N 0 0 196.294 2.198 10 0 AEAERN Cc1cc(F)c2c(c1F)C[NH2+]C[C@H]2C 87220336 573826959 /nfs/dbraw/zinc/82/69/59/573826959.db2.gz FHZSWJYPYOMDPX-SSDOTTSWSA-N 0 0 197.228 2.480 10 0 AEAERN Cc1cc(F)c(O)c(C(F)F)n1 238526061 573827051 /nfs/dbraw/zinc/82/70/51/573827051.db2.gz KQDSMOCHDHGAOH-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN O=Cc1coc([C@H]2CCCSC2)n1 258148888 573827086 /nfs/dbraw/zinc/82/70/86/573827086.db2.gz RTGKGEKEUSNWQN-ZETCQYMHSA-N 0 0 197.259 2.098 10 0 AEAERN Nc1cc([C@H]2CCSC2)ccc1O 257884520 573827119 /nfs/dbraw/zinc/82/71/19/573827119.db2.gz VYWXAOZASSDWKM-QMMMGPOBSA-N 0 0 195.287 2.195 10 0 AEAERN Cc1cc(F)c(=O)[nH]c1C(F)F 238526150 573827139 /nfs/dbraw/zinc/82/71/39/573827139.db2.gz VZWVQZAWIMKQCJ-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN Clc1nccnc1-c1nccs1 238525566 573827143 /nfs/dbraw/zinc/82/71/43/573827143.db2.gz XMOKCCKMVKFGKJ-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN CCCCCCC(=O)COC 43504863 573827724 /nfs/dbraw/zinc/82/77/24/573827724.db2.gz PEIXRGQZMASADX-UHFFFAOYSA-N 0 0 158.241 2.172 10 0 AEAERN O=C1CCC(O)(C2CCCC2)CC1 84323158 573827197 /nfs/dbraw/zinc/82/71/97/573827197.db2.gz DRANTDHZWIGIQW-UHFFFAOYSA-N 0 0 182.263 2.051 10 0 AEAERN CCC[C@@H](CO)CCCCOC 131409818 573827201 /nfs/dbraw/zinc/82/72/01/573827201.db2.gz RMGVMUKBHBHCNG-SNVBAGLBSA-N 0 0 174.284 2.212 10 0 AEAERN COCCCC[C@@H](CO)C(C)C 131410044 573827266 /nfs/dbraw/zinc/82/72/66/573827266.db2.gz NBQOIVOYFMJJNG-JTQLQIEISA-N 0 0 174.284 2.068 10 0 AEAERN CO[C@@H](/C=C/c1ccccc1)CCO 308444657 573827269 /nfs/dbraw/zinc/82/72/69/573827269.db2.gz AKJPFHONUJCJPP-GUOLPTJISA-N 0 0 192.258 2.097 10 0 AEAERN Oc1ccc2c(c1)NCCC21CC1 257884920 573827319 /nfs/dbraw/zinc/82/73/19/573827319.db2.gz MNEFKMDDEUCOFM-UHFFFAOYSA-N 0 0 175.231 2.239 10 0 AEAERN COC(=O)[C@@]1(c2ccc(C)o2)C[C@H]1C 258964543 573827389 /nfs/dbraw/zinc/82/73/89/573827389.db2.gz HETAYKDDONLZOZ-HQJQHLMTSA-N 0 0 194.230 2.039 10 0 AEAERN O[C@@H](CC1CC1)c1ccc(F)nc1 686128889 573827391 /nfs/dbraw/zinc/82/73/91/573827391.db2.gz ZDXUAUOQSHYPDO-VIFPVBQESA-N 0 0 181.210 2.054 10 0 AEAERN CC(C)[C@H](C)[C@H](NN)c1ccccc1 127335476 573827411 /nfs/dbraw/zinc/82/74/11/573827411.db2.gz LQCPMXDWVPEJNG-JQWIXIFHSA-N 0 0 192.306 2.483 10 0 AEAERN CC(C)[C@H](C)[C@@H](NN)c1ccccc1 127335942 573827430 /nfs/dbraw/zinc/82/74/30/573827430.db2.gz LQCPMXDWVPEJNG-CMPLNLGQSA-N 0 0 192.306 2.483 10 0 AEAERN Oc1cc(-c2c[nH]cn2)ccc1Cl 258149204 573827539 /nfs/dbraw/zinc/82/75/39/573827539.db2.gz RXMMIHPJGRLHFG-UHFFFAOYSA-N 0 0 194.621 2.436 10 0 AEAERN CCSCc1cnn(C(C)C)c1N 257884793 573827546 /nfs/dbraw/zinc/82/75/46/573827546.db2.gz HYGVRNVBWRHSLY-UHFFFAOYSA-N 0 0 199.323 2.299 10 0 AEAERN Cc1nc(Cl)[nH]c1[C@H]1CCCN1C 258143707 573829398 /nfs/dbraw/zinc/82/93/98/573829398.db2.gz RITSNMCSJLMARE-SSDOTTSWSA-N 0 0 199.685 2.138 10 0 AEAERN Cc1cc(F)cc2c[nH]nc12 238531636 573829471 /nfs/dbraw/zinc/82/94/71/573829471.db2.gz ZZHFGWJTCPIBFJ-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN Cc1nc(CO)cc(C(F)F)c1C 238527520 573829520 /nfs/dbraw/zinc/82/95/20/573829520.db2.gz OOAMEKMFXAWUOG-UHFFFAOYSA-N 0 0 187.189 2.128 10 0 AEAERN Cc1cc(OC(C)C)c2nccn2c1 238148571 573829527 /nfs/dbraw/zinc/82/95/27/573829527.db2.gz YQBNCBOSOSACFI-UHFFFAOYSA-N 0 0 190.246 2.430 10 0 AEAERN Cc1ccc(O)c(C2=NCCS2)c1 238527898 573829595 /nfs/dbraw/zinc/82/95/95/573829595.db2.gz YXPZOIHHDCLGSR-UHFFFAOYSA-N 0 0 193.271 2.194 10 0 AEAERN CCNc1ncc(C)c(C2CC2)n1 87203483 573829648 /nfs/dbraw/zinc/82/96/48/573829648.db2.gz KXAGMWPPMWGTKS-UHFFFAOYSA-N 0 0 177.251 2.094 10 0 AEAERN CN[C@@H](CC(F)(F)F)C(F)(F)F 78677298 573829654 /nfs/dbraw/zinc/82/96/54/573829654.db2.gz BGZNZAKMGZNSGV-VKHMYHEASA-N 0 0 195.106 2.089 10 0 AEAERN Cc1c(F)cc(C(F)F)nc1N 238527663 573829655 /nfs/dbraw/zinc/82/96/55/573829655.db2.gz NOTJBRZJSFANMW-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN CCC[C@H](C)CC(=O)COC 43504918 573829671 /nfs/dbraw/zinc/82/96/71/573829671.db2.gz GWOZUXIAUQWQIF-QMMMGPOBSA-N 0 0 158.241 2.028 10 0 AEAERN Cc1c(NC=O)cnc2ccccc12 238531490 573829685 /nfs/dbraw/zinc/82/96/85/573829685.db2.gz YGAPTDIGCDADRP-UHFFFAOYSA-N 0 0 186.214 2.112 10 0 AEAERN CCc1ccc(CC(=O)COC)cc1 43504830 573829693 /nfs/dbraw/zinc/82/96/93/573829693.db2.gz WKOGWONGDWVJQJ-UHFFFAOYSA-N 0 0 192.258 2.007 10 0 AEAERN COC(=O)C/C=C\C(C)(C)C 258144571 573829697 /nfs/dbraw/zinc/82/96/97/573829697.db2.gz JXTGLLKAOIUVMJ-ALCCZGGFSA-N 0 0 156.225 2.152 10 0 AEAERN Cc1nc(OC2CCC2)ccc1F 238526918 573829711 /nfs/dbraw/zinc/82/97/11/573829711.db2.gz PQUUCJVNPKAUDT-UHFFFAOYSA-N 0 0 181.210 2.460 10 0 AEAERN CCCC[C@@H](CC)C(=O)COC 43504859 573829726 /nfs/dbraw/zinc/82/97/26/573829726.db2.gz UEDHTJWIURJWRB-SECBINFHSA-N 0 0 172.268 2.418 10 0 AEAERN CC[C@@](C)(CO)CCCCOC 131408937 573829733 /nfs/dbraw/zinc/82/97/33/573829733.db2.gz XVOGZGKZRDSYJJ-SNVBAGLBSA-N 0 0 174.284 2.212 10 0 AEAERN C=COc1ccc2c(c1)OCC2 401916427 573829736 /nfs/dbraw/zinc/82/97/36/573829736.db2.gz YQRMKWMKHYVXDB-UHFFFAOYSA-N 0 0 162.188 2.144 10 0 AEAERN COCc1ccc(C(C)(C)O)c(F)c1 258143051 573829746 /nfs/dbraw/zinc/82/97/46/573829746.db2.gz SSPOMIMCIPSBGB-UHFFFAOYSA-N 0 0 198.237 2.200 10 0 AEAERN Cc1c(F)cc(F)cc1C1(O)CC1 258143035 573829770 /nfs/dbraw/zinc/82/97/70/573829770.db2.gz SSDXAHZIANHJPF-UHFFFAOYSA-N 0 0 184.185 2.255 10 0 AEAERN Cc1cc(F)c([C@@]2(C)CC[NH2+]2)cc1F 87220709 573829776 /nfs/dbraw/zinc/82/97/76/573829776.db2.gz YYZNYMMWKSQFJG-LLVKDONJSA-N 0 0 197.228 2.482 10 0 AEAERN CC(C)C[C@@H]1C=CNC(=S)C1 238147279 573829798 /nfs/dbraw/zinc/82/97/98/573829798.db2.gz BCNCAWRMWSVNAA-QMMMGPOBSA-N 0 0 169.293 2.483 10 0 AEAERN OC[C@@H]1CC(C2CCCCCC2)=NO1 84328962 573829818 /nfs/dbraw/zinc/82/98/18/573829818.db2.gz QMIHLELPKGMDRP-JTQLQIEISA-N 0 0 197.278 2.094 10 0 AEAERN Cc1ccc(O)c(C2CC(=O)C2)c1 238527948 573829819 /nfs/dbraw/zinc/82/98/19/573829819.db2.gz GFLPZJDLINRXSU-UHFFFAOYSA-N 0 0 176.215 2.147 10 0 AEAERN C[C@@H](O)c1cnc(-c2cccs2)o1 258143785 573829919 /nfs/dbraw/zinc/82/99/19/573829919.db2.gz QAKQRQUZXZEHOV-ZCFIWIBFSA-N 0 0 195.243 2.456 10 0 AEAERN Cc1nc(Cl)[nH]c1[C@@H]1CCCN1C 258143709 573829939 /nfs/dbraw/zinc/82/99/39/573829939.db2.gz RITSNMCSJLMARE-ZETCQYMHSA-N 0 0 199.685 2.138 10 0 AEAERN Cc1cc(-c2ccnc(N)n2)cs1 87204119 573829942 /nfs/dbraw/zinc/82/99/42/573829942.db2.gz JBIVPEKGZPMKBC-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN CC(C)=CCC[C@H]1CCC(=O)N1 238149224 573829946 /nfs/dbraw/zinc/82/99/46/573829946.db2.gz GFKKLTBYLHSGMQ-VIFPVBQESA-N 0 0 167.252 2.011 10 0 AEAERN 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O=C1O[C@@H]2C=CCC[C@@H]2/C1=C/Cl 238539843 573850880 /nfs/dbraw/zinc/85/08/80/573850880.db2.gz QEHRPXKZKVMNDU-RXCXCCMUSA-N 0 0 184.622 2.001 10 0 AEAERN C[C@H]1CNc2ccc(F)c(F)c2N1 87260507 573850888 /nfs/dbraw/zinc/85/08/88/573850888.db2.gz UWGZGAAALIOCBZ-YFKPBYRVSA-N 0 0 184.189 2.191 10 0 AEAERN CN1CC(C)(C)Nc2c(O)cccc21 258437148 573850925 /nfs/dbraw/zinc/85/09/25/573850925.db2.gz GFVGTJSGZJLMIX-UHFFFAOYSA-N 0 0 192.262 2.033 10 0 AEAERN CC(C)C[C@@H](O)c1cc(O)ccc1O 238153316 573851008 /nfs/dbraw/zinc/85/10/08/573851008.db2.gz GMSMZHIKTSUHPI-LLVKDONJSA-N 0 0 196.246 2.177 10 0 AEAERN CSCc1ccc(CN2CCC2)o1 393565376 573851010 /nfs/dbraw/zinc/85/10/10/573851010.db2.gz IWZMCSNFCWCBCY-UHFFFAOYSA-N 0 0 197.303 2.348 10 0 AEAERN Cc1ccc2c(c1)C[C@@H]([C@@H](C)O)S2 258161833 573851028 /nfs/dbraw/zinc/85/10/28/573851028.db2.gz ROHJLXJVILQQTH-KCJUWKMLSA-N 0 0 194.299 2.393 10 0 AEAERN Cc1c(CO)cnc(C(F)F)c1C 238540139 573851045 /nfs/dbraw/zinc/85/10/45/573851045.db2.gz JWCPFBZHFBYURE-UHFFFAOYSA-N 0 0 187.189 2.128 10 0 AEAERN C[C@@H]1CNc2c(F)cccc2N1 87260520 573851088 /nfs/dbraw/zinc/85/10/88/573851088.db2.gz XZVFNNSMDNEAJF-ZCFIWIBFSA-N 0 0 166.199 2.052 10 0 AEAERN F[C@H]1CCC[C@@H]1Nc1ccccn1 585297915 573851095 /nfs/dbraw/zinc/85/10/95/573851095.db2.gz MEEGZJLHSWLULV-IUCAKERBSA-N 0 0 180.226 2.384 10 0 AEAERN CC(C)(C)[C@H]1CC=C(C(N)=O)CC1 238152047 573851121 /nfs/dbraw/zinc/85/11/21/573851121.db2.gz NWSDGRCRUSMHSP-VIFPVBQESA-N 0 0 181.279 2.244 10 0 AEAERN CC(C)[C@@H]1CC[C@H](O)C[C@@H]1C 238151896 573851238 /nfs/dbraw/zinc/85/12/38/573851238.db2.gz OEAGMICARLLESU-GUBZILKMSA-N 0 0 156.269 2.440 10 0 AEAERN CCc1ccccc1[C@@H](O)CCOC 308454042 573851250 /nfs/dbraw/zinc/85/12/50/573851250.db2.gz CPVINZLBJNGVMO-LBPRGKRZSA-N 0 0 194.274 2.319 10 0 AEAERN Cc1cc(C)cc(N[C@@H]2CC[C@H]2O)c1 585298891 573852704 /nfs/dbraw/zinc/85/27/04/573852704.db2.gz QBSKZMSGKOVLCQ-VXGBXAGGSA-N 0 0 191.274 2.239 10 0 AEAERN CC(=O)Cc1cc(C)c(F)c(F)c1 258155330 573852708 /nfs/dbraw/zinc/85/27/08/573852708.db2.gz ULEVBKNJMUVGHH-UHFFFAOYSA-N 0 0 184.185 2.405 10 0 AEAERN Cc1cc(C)cc(N[C@@H]2CC[C@@H]2O)c1 585298888 573853385 /nfs/dbraw/zinc/85/33/85/573853385.db2.gz QBSKZMSGKOVLCQ-NEPJUHHUSA-N 0 0 191.274 2.239 10 0 AEAERN CC(C)=C[C@@H]1[C@H](CNC#N)C1(C)C 238166488 573852856 /nfs/dbraw/zinc/85/28/56/573852856.db2.gz DFYKHEASSMHVEG-ZJUUUORDSA-N 0 0 178.279 2.295 10 0 AEAERN CC(C)=C[C@@H]1OC(=O)N[C@H]1C(C)C 238166035 573852867 /nfs/dbraw/zinc/85/28/67/573852867.db2.gz QHLYSLDRQRXECK-IUCAKERBSA-N 0 0 183.251 2.086 10 0 AEAERN Cc1c(C(F)F)cnc(C=O)c1C 238539673 573852941 /nfs/dbraw/zinc/85/29/41/573852941.db2.gz ZDFHAJWUNLKIFL-UHFFFAOYSA-N 0 0 185.173 2.449 10 0 AEAERN COC(=O)CC1(c2ccccc2)CC1 308454524 573852990 /nfs/dbraw/zinc/85/29/90/573852990.db2.gz QGLUIBYPFVOHNK-UHFFFAOYSA-N 0 0 190.242 2.281 10 0 AEAERN COc1cccc([C@H](C)O)c1SC 258163112 573853085 /nfs/dbraw/zinc/85/30/85/573853085.db2.gz PROCUWMVLSLVFY-ZETCQYMHSA-N 0 0 198.287 2.470 10 0 AEAERN Cc1ccc(C)c(N[C@@H]2CC[C@@H]2O)c1 585298806 573853088 /nfs/dbraw/zinc/85/30/88/573853088.db2.gz KHVBBKUVVDEHKC-PWSUYJOCSA-N 0 0 191.274 2.239 10 0 AEAERN Cc1cccc(N)c1[C@@H]1CCC(=O)C1 238530790 573853100 /nfs/dbraw/zinc/85/31/00/573853100.db2.gz IZMKBQYOAAAFAH-SECBINFHSA-N 0 0 189.258 2.414 10 0 AEAERN C[C@H]1CCO[C@H]1C(=O)c1cccs1 122914343 573853120 /nfs/dbraw/zinc/85/31/20/573853120.db2.gz GFMCXDLMEPSFHW-OIBJUYFYSA-N 0 0 196.271 2.356 10 0 AEAERN CC(C)C[C@@H](O)c1cccc(O)c1 238153402 573853162 /nfs/dbraw/zinc/85/31/62/573853162.db2.gz IPQCNYQIXJXQBT-LLVKDONJSA-N 0 0 180.247 2.472 10 0 AEAERN CC(=O)Cc1cc(C)cc(F)c1F 258155425 573853205 /nfs/dbraw/zinc/85/32/05/573853205.db2.gz UNLVLBVCQSBOME-UHFFFAOYSA-N 0 0 184.185 2.405 10 0 AEAERN Cc1ccc2cnccc2c1O 238531080 573853214 /nfs/dbraw/zinc/85/32/14/573853214.db2.gz AHYWLXHWEBEOGW-UHFFFAOYSA-N 0 0 159.188 2.249 10 0 AEAERN Cc1ccc2c(c1)[C@@H](C[C@@H](C)O)CO2 258154975 573853223 /nfs/dbraw/zinc/85/32/23/573853223.db2.gz REHLFPUPDDAPLI-ZJUUUORDSA-N 0 0 192.258 2.242 10 0 AEAERN O=C1O[C@H]2C=CCC[C@@H]2/C1=C/Cl 238539832 573853265 /nfs/dbraw/zinc/85/32/65/573853265.db2.gz QEHRPXKZKVMNDU-BQHCTPAVSA-N 0 0 184.622 2.001 10 0 AEAERN Fc1ccc2c(c1)N[C@H]1C[C@@H]21 257888779 573853372 /nfs/dbraw/zinc/85/33/72/573853372.db2.gz INVJMXAGRGXLHZ-CBAPKCEASA-N 0 0 149.168 2.107 10 0 AEAERN CCN1c2ccccc2NCC12CC2 259212224 573854524 /nfs/dbraw/zinc/85/45/24/573854524.db2.gz LHCBEVMTQSCALD-UHFFFAOYSA-N 0 0 188.274 2.471 10 0 AEAERN CC(C)(C)[C@@]12CCC(=O)[C@@H]1C2 238166230 573855179 /nfs/dbraw/zinc/85/51/79/573855179.db2.gz ZFHUUIZLKLPLLB-OIBJUYFYSA-N 0 0 152.237 2.402 10 0 AEAERN Cc1ccc(N[C@H]2CC[C@@H]2O)cc1F 585298954 573855192 /nfs/dbraw/zinc/85/51/92/573855192.db2.gz VYKLHDTUWAEXAB-QWRGUYRKSA-N 0 0 195.237 2.069 10 0 AEAERN Cc1nc(OC(C)C)ccc1F 238154386 573855225 /nfs/dbraw/zinc/85/52/25/573855225.db2.gz NETJERUBCCRRQE-UHFFFAOYSA-N 0 0 169.199 2.316 10 0 AEAERN Cc1ccc(C)c(N[C@H]2CC[C@H]2O)c1 585298804 573855227 /nfs/dbraw/zinc/85/52/27/573855227.db2.gz KHVBBKUVVDEHKC-CMPLNLGQSA-N 0 0 191.274 2.239 10 0 AEAERN OCC1C[C@H]2CC3(CC3)C[C@@H]2C1 258437095 573855238 /nfs/dbraw/zinc/85/52/38/573855238.db2.gz DRDBNEFAUOHXCL-UWVGGRQHSA-N 0 0 166.264 2.195 10 0 AEAERN CN(CC(F)(F)F)c1ccccn1 259211940 573854547 /nfs/dbraw/zinc/85/45/47/573854547.db2.gz XGZHDIKJZPLKJE-UHFFFAOYSA-N 0 0 190.168 2.080 10 0 AEAERN CC[C@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)[O-] 43627769 573854604 /nfs/dbraw/zinc/85/46/04/573854604.db2.gz LBPXOHQZFHDVHY-LPEHRKFASA-N 0 0 199.294 2.018 10 0 AEAERN COC(=O)[C@H](C)OCCCC(C)C 43625824 573854633 /nfs/dbraw/zinc/85/46/33/573854633.db2.gz YCDHRGHJGHTSFE-VIFPVBQESA-N 0 0 188.267 2.001 10 0 AEAERN CC(C)[C@@H]1O[C@H]1/C=C/Br 238172728 573854689 /nfs/dbraw/zinc/85/46/89/573854689.db2.gz UJZXUPHNXHNLJG-FWDZIHJBSA-N 0 0 191.068 2.318 10 0 AEAERN Cc1ccc([C@H]2CC[C@@H]2O)cc1 238541980 573854717 /nfs/dbraw/zinc/85/47/17/573854717.db2.gz OZWAGFVPASSVLI-MNOVXSKESA-N 0 0 162.232 2.233 10 0 AEAERN Cc1cnc2cccc(Cl)n12 258154775 573854747 /nfs/dbraw/zinc/85/47/47/573854747.db2.gz BFCUTXZCONJBKD-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN Cc1ccc(N[C@@H]2CC[C@@H]2O)cc1C 585298733 573854797 /nfs/dbraw/zinc/85/47/97/573854797.db2.gz AUBUCXPCPBHVIF-NEPJUHHUSA-N 0 0 191.274 2.239 10 0 AEAERN OC(=S)c1cc(Cl)ccc1O 101230340 573854806 /nfs/dbraw/zinc/85/48/06/573854806.db2.gz PEFTZKTUWHPLQV-UHFFFAOYSA-N 0 0 188.635 2.279 10 0 AEAERN Cc1c(C)c(NC=O)c(C)c(C)c1O 238542608 573854835 /nfs/dbraw/zinc/85/48/35/573854835.db2.gz UWCWTMRQGNXLEV-UHFFFAOYSA-N 0 0 193.246 2.194 10 0 AEAERN Cc1ccc([C@H]2CC[C@H]2O)cc1 238542380 573854863 /nfs/dbraw/zinc/85/48/63/573854863.db2.gz OZWAGFVPASSVLI-GHMZBOCLSA-N 0 0 162.232 2.233 10 0 AEAERN FC(F)(F)Oc1cnc(Cl)nc1 238542017 573854870 /nfs/dbraw/zinc/85/48/70/573854870.db2.gz XRSAABPVASYNIW-UHFFFAOYSA-N 0 0 198.531 2.029 10 0 AEAERN CC(=O)c1cc(C)c2nc(C)oc2n1 238165844 573854880 /nfs/dbraw/zinc/85/48/80/573854880.db2.gz POSRPSGJPOIDBP-UHFFFAOYSA-N 0 0 190.202 2.042 10 0 AEAERN Cc1c(C)c(N)c(N)c(Cl)c1C 238542448 573854924 /nfs/dbraw/zinc/85/49/24/573854924.db2.gz UBMCHCXTGOVMLH-UHFFFAOYSA-N 0 0 184.670 2.430 10 0 AEAERN Cc1nnc(N[C@H]2C=CCCC2)s1 238543045 573854997 /nfs/dbraw/zinc/85/49/97/573854997.db2.gz JEMOMJMYMOLEJE-QMMMGPOBSA-N 0 0 195.291 2.367 10 0 AEAERN Cc1ccc(F)cc1N[C@@H]1CC[C@@H]1O 585298995 573855010 /nfs/dbraw/zinc/85/50/10/573855010.db2.gz YLQRYPIQQOMWKF-KOLCDFICSA-N 0 0 195.237 2.069 10 0 AEAERN c1cnnc([C@@H]2CCCCS2)c1 259575057 573855019 /nfs/dbraw/zinc/85/50/19/573855019.db2.gz XPKBUZVDDIBPCS-VIFPVBQESA-N 0 0 180.276 2.435 10 0 AEAERN Cc1cncc(O)c1C(F)F 238542366 573855046 /nfs/dbraw/zinc/85/50/46/573855046.db2.gz URZWJFSQQQONOP-UHFFFAOYSA-N 0 0 159.135 2.033 10 0 AEAERN CC/C(=C\[C@@H]1CCSC1)CO 224724148 573855073 /nfs/dbraw/zinc/85/50/73/573855073.db2.gz UZXDLEKRKBWJRE-QRJSTWQJSA-N 0 0 172.293 2.068 10 0 AEAERN CC(C)N1N=CC(=O)C1C1CC1 258437002 573855117 /nfs/dbraw/zinc/85/51/17/573855117.db2.gz DPUZEGSEPQQCLK-UHFFFAOYSA-N 0 0 166.224 2.047 10 0 AEAERN c1ccc2c(c1)NCCCN2C1CC1 87260614 573855157 /nfs/dbraw/zinc/85/51/57/573855157.db2.gz PWTZSJNBAVZRQX-UHFFFAOYSA-N 0 0 188.274 2.471 10 0 AEAERN Cc1cc(C)cc(N[C@H]2CC[C@H]2O)c1 585298889 573855165 /nfs/dbraw/zinc/85/51/65/573855165.db2.gz QBSKZMSGKOVLCQ-NWDGAFQWSA-N 0 0 191.274 2.239 10 0 AEAERN c1cc2c(c(OCC3CC3)c1)C[NH2+]C2 258156359 573856258 /nfs/dbraw/zinc/85/62/58/573856258.db2.gz WLSZWJIHPPQKAG-UHFFFAOYSA-N 0 0 189.258 2.079 10 0 AEAERN Cc1ccc(N[C@@H]2CC[C@@H]2O)c(C)c1 585298936 573856260 /nfs/dbraw/zinc/85/62/60/573856260.db2.gz TYWJYVDOSSBSCM-NEPJUHHUSA-N 0 0 191.274 2.239 10 0 AEAERN C[C@@H]1CNc2c1cccc2[C@@H](C)O 258157778 573856275 /nfs/dbraw/zinc/85/62/75/573856275.db2.gz RJXKXHAKHHZLJB-HTQZYQBOSA-N 0 0 177.247 2.269 10 0 AEAERN CC[C@H](C[NH2+]CC=C(C)C)CC(=O)[O-] 393669392 573856305 /nfs/dbraw/zinc/85/63/05/573856305.db2.gz ICXQXEOYRGWCBE-JTQLQIEISA-N 0 0 199.294 2.043 10 0 AEAERN CC[C@@H]1NC(=O)O[C@@H]1C1CCCCC1 101241548 573856330 /nfs/dbraw/zinc/85/63/30/573856330.db2.gz FOORSLDAWSBBFM-VHSXEESVSA-N 0 0 197.278 2.454 10 0 AEAERN Cc1ccc([C@H]2CC[C@@H](O)C2)o1 238541938 573856335 /nfs/dbraw/zinc/85/63/35/573856335.db2.gz PMEJONWFACEIFO-DTWKUNHWSA-N 0 0 166.220 2.216 10 0 AEAERN CON(C)C(=O)[C@H](C)CC(C)(C)C 308456886 573856367 /nfs/dbraw/zinc/85/63/67/573856367.db2.gz GFXIUFQCIMLZRM-MRVPVSSYSA-N 0 0 187.283 2.079 10 0 AEAERN C[C@H](O)c1cccc2c1NC[C@@H]2C 258157788 573856368 /nfs/dbraw/zinc/85/63/68/573856368.db2.gz RJXKXHAKHHZLJB-YUMQZZPRSA-N 0 0 177.247 2.269 10 0 AEAERN CCC[C@@H](O)c1csc(C)n1 122922083 573856370 /nfs/dbraw/zinc/85/63/70/573856370.db2.gz KDVVOWDSDNRABF-MRVPVSSYSA-N 0 0 171.265 2.285 10 0 AEAERN CCC(=O)[C@H](C)[N@@H+]1CCC(C)(C)C1 87256857 573856405 /nfs/dbraw/zinc/85/64/05/573856405.db2.gz ZUPZCFMGZDXWFP-VIFPVBQESA-N 0 0 183.295 2.086 10 0 AEAERN c1cnnc([C@H]2CCCCS2)c1 259575055 573856412 /nfs/dbraw/zinc/85/64/12/573856412.db2.gz XPKBUZVDDIBPCS-SECBINFHSA-N 0 0 180.276 2.435 10 0 AEAERN O=C1C[C@@H]2CCC[C@@]12c1ccco1 197061735 573856419 /nfs/dbraw/zinc/85/64/19/573856419.db2.gz DRNMVLBNTJIYMF-KWQFWETISA-N 0 0 176.215 2.290 10 0 AEAERN Cc1ccc(C)c(N[C@@H]2CC[C@H]2O)c1 585298807 573856439 /nfs/dbraw/zinc/85/64/39/573856439.db2.gz KHVBBKUVVDEHKC-ZYHUDNBSSA-N 0 0 191.274 2.239 10 0 AEAERN NC(=O)[C@@H]1CC[C@@H]2CCCCC[C@@H]2C1 238542426 573856460 /nfs/dbraw/zinc/85/64/60/573856460.db2.gz SVZOQIKEOFWOIU-HBNTYKKESA-N 0 0 195.306 2.468 10 0 AEAERN CCOCC[C@@H]1C[C@@H](C)CC[C@@H]1O 43660343 573856461 /nfs/dbraw/zinc/85/64/61/573856461.db2.gz WPCRUTQQFGCOLU-AXFHLTTASA-N 0 0 186.295 2.210 10 0 AEAERN CC1=N[C@H](C(C)C)NC(C)(C)C1 238167194 573856464 /nfs/dbraw/zinc/85/64/64/573856464.db2.gz LYHLSJLBPWBGBB-VIFPVBQESA-N 0 0 168.284 2.201 10 0 AEAERN Cc1cc2c(o1)CCC(=O)CC2 238541755 573856486 /nfs/dbraw/zinc/85/64/86/573856486.db2.gz YEHWZTHUTSIUIF-UHFFFAOYSA-N 0 0 164.204 2.036 10 0 AEAERN CC(C)(O)[C@@H]1CNc2cccc(F)c21 258157744 573856538 /nfs/dbraw/zinc/85/65/38/573856538.db2.gz RJPKBLKCSAXFIC-SSDOTTSWSA-N 0 0 195.237 2.106 10 0 AEAERN CC(C)=C[C@@H]1[C@H](CC(N)=O)C1(C)C 238166363 573856548 /nfs/dbraw/zinc/85/65/48/573856548.db2.gz XBSMUTHVXXYKRE-BDAKNGLRSA-N 0 0 181.279 2.100 10 0 AEAERN Cc1nc2[nH]ccc2cc1F 238542798 573856551 /nfs/dbraw/zinc/85/65/51/573856551.db2.gz SGADUIXUOMXZFJ-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN Nc1cc2cc(Cl)ccc2[nH]c1=O 258157684 573856566 /nfs/dbraw/zinc/85/65/66/573856566.db2.gz SNOAHMRQFZUPLD-UHFFFAOYSA-N 0 0 194.621 2.176 10 0 AEAERN Cc1cc(F)c2sc(=O)[nH]c2c1 238542910 573856572 /nfs/dbraw/zinc/85/65/72/573856572.db2.gz HYBXCPRYQOCKHJ-UHFFFAOYSA-N 0 0 183.207 2.037 10 0 AEAERN Cc1ccc([C@H]2CC[C@H](O)O2)cc1 238542357 573856600 /nfs/dbraw/zinc/85/66/00/573856600.db2.gz OXBYUZPHBDCLSY-GHMZBOCLSA-N 0 0 178.231 2.165 10 0 AEAERN NC(=O)[C@@H]1CC[C@H]2CCCCC[C@@H]2C1 238542576 573856607 /nfs/dbraw/zinc/85/66/07/573856607.db2.gz SVZOQIKEOFWOIU-GMTAPVOTSA-N 0 0 195.306 2.468 10 0 AEAERN Cc1c(C)c(Cl)c(C)c(N)c1N 238541908 573856660 /nfs/dbraw/zinc/85/66/60/573856660.db2.gz 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/nfs/dbraw/zinc/85/84/96/573858496.db2.gz ITNXFOOHALTDAJ-GUBZILKMSA-N 0 0 154.253 2.338 10 0 AEAERN CC[C@@H](C)[C@@]1(O)CCCSC1 84332807 573860817 /nfs/dbraw/zinc/86/08/17/573860817.db2.gz HZHKIBVJDLMGTA-RKDXNWHRSA-N 0 0 174.309 2.291 10 0 AEAERN CC(=O)[C@@H]1C[C@@H]1Oc1ccccc1 238168765 573860820 /nfs/dbraw/zinc/86/08/20/573860820.db2.gz CVXIHNGCHJUVLO-QWRGUYRKSA-N 0 0 176.215 2.043 10 0 AEAERN Fc1ccc2c(c1)NCC1(CC1)N2 87261335 573860821 /nfs/dbraw/zinc/86/08/21/573860821.db2.gz HMGWSMBJLXIDJX-UHFFFAOYSA-N 0 0 178.210 2.196 10 0 AEAERN c1cnc2c(c1)NCCC1(CCC1)N2 87262756 573860837 /nfs/dbraw/zinc/86/08/37/573860837.db2.gz GHQQQPXJALTWME-UHFFFAOYSA-N 0 0 189.262 2.232 10 0 AEAERN O=Cc1cc(C(F)F)cnc1Cl 238546554 573860852 /nfs/dbraw/zinc/86/08/52/573860852.db2.gz OMNTWGIGVOPGHZ-UHFFFAOYSA-N 0 0 191.564 2.485 10 0 AEAERN Fc1ccnc(C2CCOCC2)c1 238546858 573860859 /nfs/dbraw/zinc/86/08/59/573860859.db2.gz FEXDEOXYASSVIX-UHFFFAOYSA-N 0 0 181.210 2.115 10 0 AEAERN CC(C)Oc1cc2[nH]cnc2cc1F 238168759 573860882 /nfs/dbraw/zinc/86/08/82/573860882.db2.gz DFNQGGQWEXGSHQ-UHFFFAOYSA-N 0 0 194.209 2.489 10 0 AEAERN CC(=O)[C@@H]1C[C@@]12CC2(C)C 238169546 573860909 /nfs/dbraw/zinc/86/09/09/573860909.db2.gz RZSDPLLHFQACMT-IONNQARKSA-N 0 0 138.210 2.012 10 0 AEAERN CC[C@H]1CC[C@@](O)(C2CC2)C1 84375303 573860917 /nfs/dbraw/zinc/86/09/17/573860917.db2.gz PDIGFMHUOGCKHD-WPRPVWTQSA-N 0 0 154.253 2.338 10 0 AEAERN CCO[C@@H](CC)c1nc(C=O)cs1 131378951 573860939 /nfs/dbraw/zinc/86/09/39/573860939.db2.gz NIUVIVBBYGCRCZ-QMMMGPOBSA-N 0 0 199.275 2.443 10 0 AEAERN CCC[C@H]1C[C@@](O)(C2CC2)CCO1 84375231 573860944 /nfs/dbraw/zinc/86/09/44/573860944.db2.gz SWVGKGSUSDLCOI-WDEREUQCSA-N 0 0 184.279 2.107 10 0 AEAERN CC[C@]1(C)C[C@@](O)(C2CC2)CCO1 84375250 573860973 /nfs/dbraw/zinc/86/09/73/573860973.db2.gz AEKDKMPNZRQMOJ-GHMZBOCLSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@H]1CNc2ccc(F)c(F)c2NC1 87261518 573861057 /nfs/dbraw/zinc/86/10/57/573861057.db2.gz WWMLWWPJUBTAFZ-LURJTMIESA-N 0 0 198.216 2.438 10 0 AEAERN 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CC[C@H]1CNc2c(F)cccc2N1 87261186 573861536 /nfs/dbraw/zinc/86/15/36/573861536.db2.gz VCOIVMGPUYGDFN-ZETCQYMHSA-N 0 0 180.226 2.442 10 0 AEAERN CC[C@H](C)[C@@]1(O)CCCSC1 84332809 573861537 /nfs/dbraw/zinc/86/15/37/573861537.db2.gz HZHKIBVJDLMGTA-DTWKUNHWSA-N 0 0 174.309 2.291 10 0 AEAERN C[C@@H](O)[C@H]1CSc2cccc(F)c21 258164522 573861557 /nfs/dbraw/zinc/86/15/57/573861557.db2.gz RTWRYFUKGVMHRO-RNFRBKRXSA-N 0 0 198.262 2.396 10 0 AEAERN CCC1(CC)CNc2cccnc2N1 87261873 573861564 /nfs/dbraw/zinc/86/15/64/573861564.db2.gz LRARISIVIVSABL-UHFFFAOYSA-N 0 0 191.278 2.478 10 0 AEAERN Fc1ccc2c(c1)NC1(CC1)CN2 87261349 573861578 /nfs/dbraw/zinc/86/15/78/573861578.db2.gz RHWDUCSCOOTCBX-UHFFFAOYSA-N 0 0 178.210 2.196 10 0 AEAERN CC(C)[C@@H](O)c1ccc(Cl)cn1 87285842 573864173 /nfs/dbraw/zinc/86/41/73/573864173.db2.gz YQAIXJXOBXXOTF-SECBINFHSA-N 0 0 185.654 2.424 10 0 AEAERN C[C@H]1CC(=O)C[C@@H](C(C)(C)C)O1 259215890 573864888 /nfs/dbraw/zinc/86/48/88/573864888.db2.gz AOPVDFYDDKCIDY-CBAPKCEASA-N 0 0 170.252 2.169 10 0 AEAERN O[C@@]1(Cc2ccco2)CCCSC1 84362052 573864230 /nfs/dbraw/zinc/86/42/30/573864230.db2.gz DUCFHDIZRAACCR-SNVBAGLBSA-N 0 0 198.287 2.080 10 0 AEAERN C[C@@H](CO)c1cc(F)cc(F)c1 87283526 573864233 /nfs/dbraw/zinc/86/42/33/573864233.db2.gz XGTSIUBDHMAXMS-LURJTMIESA-N 0 0 172.174 2.061 10 0 AEAERN Clc1ccc([C@H]2NCCO2)s1 258164683 573864249 /nfs/dbraw/zinc/86/42/49/573864249.db2.gz QZTOMXOMIPAZTN-ZETCQYMHSA-N 0 0 189.667 2.020 10 0 AEAERN CC(=O)c1ccc(CC(C)C)nc1 238171834 573864258 /nfs/dbraw/zinc/86/42/58/573864258.db2.gz SOLJLGORFFYCDY-UHFFFAOYSA-N 0 0 177.247 2.483 10 0 AEAERN CC(C)[C@H]1C[C@H](C)CC[C@H]1O 238170069 573864272 /nfs/dbraw/zinc/86/42/72/573864272.db2.gz WZKJXHQLLOLDCW-OPRDCNLKSA-N 0 0 156.269 2.440 10 0 AEAERN CC1=C(C)[C@@H](C(C)C)C[C@@H]1NC(N)=O 238170909 573864292 /nfs/dbraw/zinc/86/42/92/573864292.db2.gz MRHIWRMXTZRINC-ZJUUUORDSA-N 0 0 196.294 2.036 10 0 AEAERN Cc1cscc1C(=O)[C@H]1CCOC1 87287897 573864369 /nfs/dbraw/zinc/86/43/69/573864369.db2.gz 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/nfs/dbraw/zinc/86/49/13/573864913.db2.gz ITCYPHDPKNFIEB-UHFFFAOYSA-N 0 0 195.287 2.123 10 0 AEAERN Cc1cc(F)ncc1[C@H]1CCC(=O)C1 238540586 573864640 /nfs/dbraw/zinc/86/46/40/573864640.db2.gz SSTVRNDGFYGBSR-QMMMGPOBSA-N 0 0 193.221 2.366 10 0 AEAERN CC(C)=C[C@H]1[C@@H](CNC#N)C1(C)C 238171311 573864721 /nfs/dbraw/zinc/86/47/21/573864721.db2.gz DFYKHEASSMHVEG-VHSXEESVSA-N 0 0 178.279 2.295 10 0 AEAERN Cc1cc2c(F)c(F)ccc2c(=O)[nH]1 125314923 573864722 /nfs/dbraw/zinc/86/47/22/573864722.db2.gz JSDZJKHFEFVIPW-UHFFFAOYSA-N 0 0 195.168 2.115 10 0 AEAERN Cc1ccc2c(c1)C(=O)[C@@H]1C[C@@H]1C2 238548706 573864733 /nfs/dbraw/zinc/86/47/33/573864733.db2.gz CUYQLUFOVUERPU-GXSJLCMTSA-N 0 0 172.227 2.370 10 0 AEAERN Cc1cc2c(C)ccc(C)c2c(=O)[nH]1 125308720 573864739 /nfs/dbraw/zinc/86/47/39/573864739.db2.gz INRZTJOPKHNTNF-UHFFFAOYSA-N 0 0 187.242 2.453 10 0 AEAERN CC(=O)OCc1cc(C)cnc1Cl 238170870 573864766 /nfs/dbraw/zinc/86/47/66/573864766.db2.gz WRGRDTFFBRDISX-UHFFFAOYSA-N 0 0 199.637 2.107 10 0 AEAERN FC(F)(F)Oc1ncc(Cl)cn1 238548584 573864773 /nfs/dbraw/zinc/86/47/73/573864773.db2.gz GXHZQQSLMYFXRS-UHFFFAOYSA-N 0 0 198.531 2.029 10 0 AEAERN NC1=NO[C@@H](c2ccccc2Cl)C1 257890883 573864806 /nfs/dbraw/zinc/86/48/06/573864806.db2.gz XCOJQXWHMIXMSX-MRVPVSSYSA-N 0 0 196.637 2.074 10 0 AEAERN Cc1ccc(-c2coc(N)n2)cc1F 87284583 573864837 /nfs/dbraw/zinc/86/48/37/573864837.db2.gz DOXHFNFUDYEVAL-UHFFFAOYSA-N 0 0 192.193 2.371 10 0 AEAERN CC(=O)OCc1ccc(C)nc1Cl 238171980 573864850 /nfs/dbraw/zinc/86/48/50/573864850.db2.gz RQASFCUJLWZEBL-UHFFFAOYSA-N 0 0 199.637 2.107 10 0 AEAERN C[C@H](Nc1ccn(C)n1)c1ccoc1 87289878 573872153 /nfs/dbraw/zinc/87/21/53/573872153.db2.gz HZCNEBBVVCCYID-QMMMGPOBSA-N 0 0 191.234 2.186 10 0 AEAERN Cc1cccc2c1NC(=S)C2 238550204 573872202 /nfs/dbraw/zinc/87/22/02/573872202.db2.gz KNTGSSCXYSOVLO-UHFFFAOYSA-N 0 0 163.245 2.290 10 0 AEAERN Cc1c(O)ccc2c(N)cccc12 238540990 573871029 /nfs/dbraw/zinc/87/10/29/573871029.db2.gz UAEOHVJURYYOFY-UHFFFAOYSA-N 0 0 173.215 2.436 10 0 AEAERN CC[C@]1(C)CO[C@H](c2ccoc2)C[NH2+]1 87290827 573871091 /nfs/dbraw/zinc/87/10/91/573871091.db2.gz DMEILTDGZPHOJA-WDEREUQCSA-N 0 0 195.262 2.109 10 0 AEAERN CC(C)C[C@@]1(C(N)=O)CC=CCC1 238164065 573871175 /nfs/dbraw/zinc/87/11/75/573871175.db2.gz BOWJYILKFKKMRY-LLVKDONJSA-N 0 0 181.279 2.244 10 0 AEAERN CCC[C@@H](C)[C@@H](O)CCOCC 233281396 573871181 /nfs/dbraw/zinc/87/11/81/573871181.db2.gz AGZSJLSHEJJLML-ZJUUUORDSA-N 0 0 174.284 2.210 10 0 AEAERN CC(C)(C)[C@@]1(C)CCC[C@H](O)O1 238165121 573871186 /nfs/dbraw/zinc/87/11/86/573871186.db2.gz JKHUUGCGRDUHAR-PSASIEDQSA-N 0 0 172.268 2.310 10 0 AEAERN CCc1oc(CN)nc1C1CCCC1 257889604 573871234 /nfs/dbraw/zinc/87/12/34/573871234.db2.gz WUUZKDJPGQTUKD-UHFFFAOYSA-N 0 0 194.278 2.353 10 0 AEAERN Cc1cnc(OC(C)C)c(F)c1 238165399 573871271 /nfs/dbraw/zinc/87/12/71/573871271.db2.gz XSIMRWOOXLDEGL-UHFFFAOYSA-N 0 0 169.199 2.316 10 0 AEAERN CC(=C/CO)/C=C/c1c(C)noc1C 238165347 573871289 /nfs/dbraw/zinc/87/12/89/573871289.db2.gz XYGMRFMEJHQVJX-LMJRQTCTSA-N 0 0 193.246 2.243 10 0 AEAERN C[C@@H](Nc1ccn(C)n1)c1ccoc1 87289879 573871476 /nfs/dbraw/zinc/87/14/76/573871476.db2.gz HZCNEBBVVCCYID-MRVPVSSYSA-N 0 0 191.234 2.186 10 0 AEAERN CC(C)Nc1cccc(C=O)c1O 238164273 573871482 /nfs/dbraw/zinc/87/14/82/573871482.db2.gz IRZQSIVJVGBLFN-UHFFFAOYSA-N 0 0 179.219 2.025 10 0 AEAERN C[C@@](O)(c1ccoc1)C(F)(F)F 87290941 573871539 /nfs/dbraw/zinc/87/15/39/573871539.db2.gz ONKUCACDXLHVOF-ZCFIWIBFSA-N 0 0 180.125 2.049 10 0 AEAERN CC1(C)N[C@@H](c2ccccc2)C(=N)O1 238172668 573871609 /nfs/dbraw/zinc/87/16/09/573871609.db2.gz FBJQMJXOMJWHNJ-VIFPVBQESA-N 0 0 190.246 2.061 10 0 AEAERN CC(C)C[C@]1(C)CCC[C@@H](O)O1 238164523 573871680 /nfs/dbraw/zinc/87/16/80/573871680.db2.gz NGJFVWFSWAPUQO-UWVGGRQHSA-N 0 0 172.268 2.310 10 0 AEAERN CCOC(=N)c1cscc1C 87288922 573871764 /nfs/dbraw/zinc/87/17/64/573871764.db2.gz VZZFHUSQHJAWKC-UHFFFAOYSA-N 0 0 169.249 2.418 10 0 AEAERN CC[C@@]1(C)CO[C@H](c2ccoc2)C[NH2+]1 87290828 573872273 /nfs/dbraw/zinc/87/22/73/573872273.db2.gz DMEILTDGZPHOJA-QWRGUYRKSA-N 0 0 195.262 2.109 10 0 AEAERN CC(C)=C[C@@H](O)c1ccccc1O 238163341 573872279 /nfs/dbraw/zinc/87/22/79/573872279.db2.gz OXZISXYLNAFMDB-LLVKDONJSA-N 0 0 178.231 2.392 10 0 AEAERN Cc1cc(C)c(F)c(C)c1O 238540906 573872423 /nfs/dbraw/zinc/87/24/23/573872423.db2.gz CXPMYAQAWCLZGJ-UHFFFAOYSA-N 0 0 154.184 2.457 10 0 AEAERN COC(=O)/C(F)=C/c1cccc(F)c1 257891611 573872494 /nfs/dbraw/zinc/87/24/94/573872494.db2.gz XDELWISDXVMDQH-TWGQIWQCSA-N 0 0 198.168 2.309 10 0 AEAERN Cc1cscc1-c1nc(Cl)n[nH]1 87289182 573872500 /nfs/dbraw/zinc/87/25/00/573872500.db2.gz YLMNJYFNCCTRIX-UHFFFAOYSA-N 0 0 199.666 2.495 10 0 AEAERN Cc1cc(N)c(F)c(Cl)c1 80052617 573872580 /nfs/dbraw/zinc/87/25/80/573872580.db2.gz DFCWZTCGWLKMPS-UHFFFAOYSA-N 0 0 159.591 2.370 10 0 AEAERN CC(C)[C@@H]1O[C@H](O)Cc2ccccc21 238172566 573872587 /nfs/dbraw/zinc/87/25/87/573872587.db2.gz IKSAMIKVAZWWCY-RYUDHWBXSA-N 0 0 192.258 2.275 10 0 AEAERN Cc1nc(N)cc(F)c1C(F)F 238549738 573872614 /nfs/dbraw/zinc/87/26/14/573872614.db2.gz ZITAJJOUKHSPBY-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN O=C1C[C@@H]2CCCC[C@@H]2C[C@@H]1F 238550302 573872665 /nfs/dbraw/zinc/87/26/65/573872665.db2.gz NYVFAHSEQXGYSR-VGMNWLOBSA-N 0 0 170.227 2.494 10 0 AEAERN CC(=C=CCO)c1ccccc1 238164457 573872677 /nfs/dbraw/zinc/87/26/77/573872677.db2.gz NFTYMICKCQHNLC-UHFFFAOYSA-N 0 0 160.216 2.237 10 0 AEAERN COC(=N)c1cscc1C 87288921 573872824 /nfs/dbraw/zinc/87/28/24/573872824.db2.gz LGZQWMWUBRLQGA-UHFFFAOYSA-N 0 0 155.222 2.028 10 0 AEAERN Cc1ccn(Cc2cccc(F)c2)n1 80007449 573872857 /nfs/dbraw/zinc/87/28/57/573872857.db2.gz UWGZEOJWAYOASN-UHFFFAOYSA-N 0 0 190.221 2.379 10 0 AEAERN Cc1ccc([C@H]2[C@@H](CO)C2(F)F)cc1 238550286 573872911 /nfs/dbraw/zinc/87/29/11/573872911.db2.gz BHWWMHHLHZOMDW-ZJUUUORDSA-N 0 0 198.212 2.336 10 0 AEAERN C[C@H](Nc1cnn(C)c1)c1ccoc1 87289736 573872922 /nfs/dbraw/zinc/87/29/22/573872922.db2.gz ABWRNYKCZFGQQH-QMMMGPOBSA-N 0 0 191.234 2.186 10 0 AEAERN C[C@H](Nn1cccc1)c1ccoc1 87290493 573872940 /nfs/dbraw/zinc/87/29/40/573872940.db2.gz WZSMNGLFCNRUCO-VIFPVBQESA-N 0 0 176.219 2.386 10 0 AEAERN CC(C)(C)[C@]1(CO)CC1(C)C 258975842 573872967 /nfs/dbraw/zinc/87/29/67/573872967.db2.gz IUGMFDNHAHMHGJ-SNVBAGLBSA-N 0 0 156.269 2.441 10 0 AEAERN Cc1cccc2c1CC=C2CCO 238549810 573872970 /nfs/dbraw/zinc/87/29/70/573872970.db2.gz CGYUXSPWMDOQAZ-UHFFFAOYSA-N 0 0 174.243 2.317 10 0 AEAERN C[C@@]1(F)CCN(c2ccccc2N)C1 258169878 573873034 /nfs/dbraw/zinc/87/30/34/573873034.db2.gz UFDSUIGOIKNNDZ-LLVKDONJSA-N 0 0 194.253 2.207 10 0 AEAERN O=C(C(F)F)C1CCCC1 122973418 573874667 /nfs/dbraw/zinc/87/46/67/573874667.db2.gz JZJBUMLNJWXSLO-UHFFFAOYSA-N 0 0 148.152 2.011 10 0 AEAERN C[C@@H]1SCc2ccc(F)cc2[C@@H]1O 125350959 573874677 /nfs/dbraw/zinc/87/46/77/573874677.db2.gz YBUPZONVODOQDH-QUBYGPBYSA-N 0 0 198.262 2.494 10 0 AEAERN COc1cc(CCCO)cc(F)c1C 258168824 573874683 /nfs/dbraw/zinc/87/46/83/573874683.db2.gz QAXFYJBJHUHGNT-UHFFFAOYSA-N 0 0 198.237 2.068 10 0 AEAERN Cc1cscc1-c1nc(C=O)c[nH]1 87289179 573873788 /nfs/dbraw/zinc/87/37/88/573873788.db2.gz MLNOGIOMJTVBQQ-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN Cc1cccc(C2(O)CCCC2)c1N 259575865 573874703 /nfs/dbraw/zinc/87/47/03/573874703.db2.gz YGJGUCKMAXIVAV-UHFFFAOYSA-N 0 0 191.274 2.339 10 0 AEAERN CC[C@]1(C)C[NH2+]C[C@@H](c2ccoc2)O1 87290839 573873860 /nfs/dbraw/zinc/87/38/60/573873860.db2.gz OQXOPEFPWXYSPF-WDEREUQCSA-N 0 0 195.262 2.109 10 0 AEAERN CC(C)C[C@@H]1COC(c2ccc[nH]2)=N1 238165108 573873899 /nfs/dbraw/zinc/87/38/99/573873899.db2.gz RQTFDKKCAJXKII-SECBINFHSA-N 0 0 192.262 2.206 10 0 AEAERN CC(C)Oc1cncnc1C(C)C 238163951 573873922 /nfs/dbraw/zinc/87/39/22/573873922.db2.gz KBTNLVWKQDVROV-UHFFFAOYSA-N 0 0 180.251 2.387 10 0 AEAERN CNc1nc(-c2ccoc2)cs1 87290535 573873933 /nfs/dbraw/zinc/87/39/33/573873933.db2.gz KKXOMPFPKWIPIH-UHFFFAOYSA-N 0 0 180.232 2.445 10 0 AEAERN CC[C@@H]([NH3+])c1nc(-c2ccoc2)c[nH]1 87290927 573874019 /nfs/dbraw/zinc/87/40/19/573874019.db2.gz NEMDNJFNDMVGDR-MRVPVSSYSA-N 0 0 191.234 2.080 10 0 AEAERN C[NH2+]Cc1nc(-c2ccoc2)cs1 87290599 573874031 /nfs/dbraw/zinc/87/40/31/573874031.db2.gz UJJDSCMFSWVYSS-UHFFFAOYSA-N 0 0 194.259 2.123 10 0 AEAERN CC[C@@]1(C)CO[C@@H](c2ccoc2)C[NH2+]1 87290830 573874043 /nfs/dbraw/zinc/87/40/43/573874043.db2.gz DMEILTDGZPHOJA-MNOVXSKESA-N 0 0 195.262 2.109 10 0 AEAERN Fc1cc(F)c(C(F)F)cn1 238551941 573874111 /nfs/dbraw/zinc/87/41/11/573874111.db2.gz HWMRVLJRUMRRIG-UHFFFAOYSA-N 0 0 165.089 2.297 10 0 AEAERN CC/C=C/C(=O)NCC1(CC)CC1 308460313 573874112 /nfs/dbraw/zinc/87/41/12/573874112.db2.gz HDZAOUYCKHRMCA-AATRIKPKSA-N 0 0 181.279 2.259 10 0 AEAERN CC(C)[C@H]([NH3+])c1cc(F)ncc1F 238172509 573874170 /nfs/dbraw/zinc/87/41/70/573874170.db2.gz YLZKVLUXGIYDTA-VIFPVBQESA-N 0 0 186.205 2.016 10 0 AEAERN CC(C)C[C@]1(C)CCC[C@H](O)O1 238164549 573874197 /nfs/dbraw/zinc/87/41/97/573874197.db2.gz NGJFVWFSWAPUQO-ZJUUUORDSA-N 0 0 172.268 2.310 10 0 AEAERN CC(C)Oc1cncc2[nH]ccc12 238163781 573874210 /nfs/dbraw/zinc/87/42/10/573874210.db2.gz UPGFWJDZJHVVJD-UHFFFAOYSA-N 0 0 176.219 2.350 10 0 AEAERN CC(=O)c1nc(C)cc(C2CCC2)n1 258975829 573874232 /nfs/dbraw/zinc/87/42/32/573874232.db2.gz AVZAAPLRPCBEBC-UHFFFAOYSA-N 0 0 190.246 2.255 10 0 AEAERN CC[C@H](O)CC[C@H](O)C1CCCC1 127384356 573874270 /nfs/dbraw/zinc/87/42/70/573874270.db2.gz BEOKNMHJKLOMKA-QWRGUYRKSA-N 0 0 186.295 2.089 10 0 AEAERN CC(C)C[C@H](C)Oc1cccnc1N 308460649 573874318 /nfs/dbraw/zinc/87/43/18/573874318.db2.gz GDXBUTPMCOZUCL-VIFPVBQESA-N 0 0 194.278 2.477 10 0 AEAERN C=C=C(C)[C@H](O)c1ccccc1O 238163638 573874320 /nfs/dbraw/zinc/87/43/20/573874320.db2.gz YFNFFJNEQTZDJO-NSHDSACASA-N 0 0 176.215 2.157 10 0 AEAERN C[C@H]1SCc2c(F)cccc2[C@@H]1O 125348810 573874356 /nfs/dbraw/zinc/87/43/56/573874356.db2.gz QDVURXJUFRZYSE-LHLIQPBNSA-N 0 0 198.262 2.494 10 0 AEAERN Cc1csc2nc(N)nc(Cl)c12 238555962 573874364 /nfs/dbraw/zinc/87/43/64/573874364.db2.gz HNVJGWZINILYOZ-UHFFFAOYSA-N 0 0 199.666 2.235 10 0 AEAERN C[C@]1(F)CCN(c2ccccc2N)C1 258169882 573874407 /nfs/dbraw/zinc/87/44/07/573874407.db2.gz UFDSUIGOIKNNDZ-NSHDSACASA-N 0 0 194.253 2.207 10 0 AEAERN CC(C)(Cc1cccc(F)c1)ON 259575811 573874447 /nfs/dbraw/zinc/87/44/47/573874447.db2.gz YEQWUSIZQNWRDZ-UHFFFAOYSA-N 0 0 183.226 2.037 10 0 AEAERN Cc1cccc2[nH]c3c(=O)[nH]ccc3c12 238532474 573874468 /nfs/dbraw/zinc/87/44/68/573874468.db2.gz IQDKAPKHBRTUIV-UHFFFAOYSA-N 0 0 198.225 2.318 10 0 AEAERN Oc1cccc(C2=CCOCC2)c1 257895780 573874478 /nfs/dbraw/zinc/87/44/78/573874478.db2.gz OCTBXGAADJXBDQ-UHFFFAOYSA-N 0 0 176.215 2.196 10 0 AEAERN CC(C)(C)[C@@]1(CO)CC1(C)C 258975840 573874485 /nfs/dbraw/zinc/87/44/85/573874485.db2.gz IUGMFDNHAHMHGJ-JTQLQIEISA-N 0 0 156.269 2.441 10 0 AEAERN CC/C(C)=C/C(C)=C\C(=O)OC 215001908 573874506 /nfs/dbraw/zinc/87/45/06/573874506.db2.gz GUZRXIYJFPQXSY-FFELTBSMSA-N 0 0 168.236 2.462 10 0 AEAERN CC/C(C)=C/C(C)=C/C(=O)OC 215002001 573874831 /nfs/dbraw/zinc/87/48/31/573874831.db2.gz GUZRXIYJFPQXSY-CDJQDVQCSA-N 0 0 168.236 2.462 10 0 AEAERN CC(C)=C[C@]1(C)[C@H](NC(N)=O)C1(C)C 238172651 573874835 /nfs/dbraw/zinc/87/48/35/573874835.db2.gz NZHSTCWSFWUHDW-LDYMZIIASA-N 0 0 196.294 2.036 10 0 AEAERN CC(=O)CC(F)(F)C(C)C 258440986 573874868 /nfs/dbraw/zinc/87/48/68/573874868.db2.gz FBMUNWHTIOIPDD-UHFFFAOYSA-N 0 0 150.168 2.257 10 0 AEAERN Nc1cnnc(C2CCCCC2)c1 257895637 573874963 /nfs/dbraw/zinc/87/49/63/573874963.db2.gz HEBBVQQJQPHKFQ-UHFFFAOYSA-N 0 0 177.251 2.107 10 0 AEAERN Cc1cc(NN)cc(C(F)(F)F)c1 80052655 573875055 /nfs/dbraw/zinc/87/50/55/573875055.db2.gz ZODLFHQMMDRMGF-UHFFFAOYSA-N 0 0 190.168 2.299 10 0 AEAERN Cc1ccc(F)c(OC(C)C)n1 238164460 573875095 /nfs/dbraw/zinc/87/50/95/573875095.db2.gz CZFGEBKHCXOWEO-UHFFFAOYSA-N 0 0 169.199 2.316 10 0 AEAERN CC(C)Oc1cnn(C(C)(C)C)c1 238164013 573875110 /nfs/dbraw/zinc/87/51/10/573875110.db2.gz UFTZNBZITWKWOG-UHFFFAOYSA-N 0 0 182.267 2.425 10 0 AEAERN C[C@@H]1SCc2ccccc2[C@H]1O 125347754 573875155 /nfs/dbraw/zinc/87/51/55/573875155.db2.gz LILFFXTVHVTFMK-XVKPBYJWSA-N 0 0 180.272 2.355 10 0 AEAERN C=C=C(C)[C@H](O)/C=C/c1ccco1 238163581 573875159 /nfs/dbraw/zinc/87/51/59/573875159.db2.gz ISZROANLOFSZKC-XUIVZRPNSA-N 0 0 176.215 2.385 10 0 AEAERN F[C@]12CCO[C@@H]1Nc1ccccc12 238551665 573875246 /nfs/dbraw/zinc/87/52/46/573875246.db2.gz AQMDTIHCCFGRID-UWVGGRQHSA-N 0 0 179.194 2.023 10 0 AEAERN C[C@@H]1SCc2c(F)cccc2[C@@H]1O 125349040 573875252 /nfs/dbraw/zinc/87/52/52/573875252.db2.gz QDVURXJUFRZYSE-QUBYGPBYSA-N 0 0 198.262 2.494 10 0 AEAERN Cc1ccn2c(CC(C)C)nnc2c1 258169129 573875300 /nfs/dbraw/zinc/87/53/00/573875300.db2.gz ILMSJQIVFBMDMP-UHFFFAOYSA-N 0 0 189.262 2.236 10 0 AEAERN CC(C)(C)[C@H]([NH3+])c1cc(F)ccc1N 238172528 573875587 /nfs/dbraw/zinc/87/55/87/573875587.db2.gz PUBWIUGLQLQZNU-SNVBAGLBSA-N 0 0 196.269 2.454 10 0 AEAERN Cc1ccn2c(OC(C)C)cnc2c1 238163286 573875610 /nfs/dbraw/zinc/87/56/10/573875610.db2.gz OMNURXFYYLYFJK-UHFFFAOYSA-N 0 0 190.246 2.430 10 0 AEAERN CC(C)Oc1cccc2c1NCC2 238175942 573877170 /nfs/dbraw/zinc/87/71/70/573877170.db2.gz GDRNUKUIASUPSJ-UHFFFAOYSA-N 0 0 177.247 2.442 10 0 AEAERN C[C@H](O)Cc1cnc(C2CCCC2)o1 257895075 573877231 /nfs/dbraw/zinc/87/72/31/573877231.db2.gz BIGCYQVXKXXQJU-QMMMGPOBSA-N 0 0 195.262 2.256 10 0 AEAERN C[C@@H]1CSc2c(CON)cccc21 257895475 573877361 /nfs/dbraw/zinc/87/73/61/573877361.db2.gz AANIVOVCCCFXOH-SSDOTTSWSA-N 0 0 195.287 2.286 10 0 AEAERN CC(=O)[C@@H]1C[C@@H]2CC=CC[C@@H]21 238176064 573877363 /nfs/dbraw/zinc/87/73/63/573877363.db2.gz UVDSKQNSCYJWFC-GUBZILKMSA-N 0 0 150.221 2.178 10 0 AEAERN CC(C)C[C@]1(C)OCC(=O)[C@@H]1C 238165549 573877397 /nfs/dbraw/zinc/87/73/97/573877397.db2.gz MGRLNSLJZOBHNW-WPRPVWTQSA-N 0 0 170.252 2.027 10 0 AEAERN CCCc1nc(C2(CO)CC2)cs1 259217637 573877405 /nfs/dbraw/zinc/87/74/05/573877405.db2.gz IKCULRWAUVTNBJ-UHFFFAOYSA-N 0 0 197.303 2.120 10 0 AEAERN CC(C)C[C@@H](C)Oc1cccnc1N 308460647 573877428 /nfs/dbraw/zinc/87/74/28/573877428.db2.gz GDXBUTPMCOZUCL-SECBINFHSA-N 0 0 194.278 2.477 10 0 AEAERN OCCc1cccc(Cl)c1CF 258171031 573877438 /nfs/dbraw/zinc/87/74/38/573877438.db2.gz VUCDDLWBQZJOBU-UHFFFAOYSA-N 0 0 188.629 2.344 10 0 AEAERN Cc1coc2cccc(CON)c12 257895576 573877451 /nfs/dbraw/zinc/87/74/51/573877451.db2.gz ABRPZGZSJJLRAL-UHFFFAOYSA-N 0 0 177.203 2.132 10 0 AEAERN c1cc(-c2cc(NC3CC3)n[nH]2)co1 87307611 573877463 /nfs/dbraw/zinc/87/74/63/573877463.db2.gz AQTPBVVZVVPVLV-UHFFFAOYSA-N 0 0 189.218 2.244 10 0 AEAERN C[C@](N)(c1ccoc1)C(F)(F)F 87307640 573877526 /nfs/dbraw/zinc/87/75/26/573877526.db2.gz BYUMIXWEIIIYLJ-LURJTMIESA-N 0 0 179.141 2.016 10 0 AEAERN Clc1cc([C@H]2CCCOC2)ncn1 716321687 573877552 /nfs/dbraw/zinc/87/75/52/573877552.db2.gz SZZDJLYEPPXOEP-ZETCQYMHSA-N 0 0 198.653 2.024 10 0 AEAERN C[C@@H]1c2ccc(F)cc2CC[C@H]1O 259218038 573877575 /nfs/dbraw/zinc/87/75/75/573877575.db2.gz JSOKZCFHMPEQCX-RDDDGLTNSA-N 0 0 180.222 2.236 10 0 AEAERN Cc1ccn(-c2noc3ccccc23)n1 308789938 573877610 /nfs/dbraw/zinc/87/76/10/573877610.db2.gz HXPXWVJAGOFJCM-UHFFFAOYSA-N 0 0 199.213 2.322 10 0 AEAERN COc1ccc(F)cc1/C=C\[C@H](C)O 308460247 573877704 /nfs/dbraw/zinc/87/77/04/573877704.db2.gz ZUUUBFLYEHRVNJ-VEMNSZJBSA-N 0 0 196.221 2.228 10 0 AEAERN Fc1ncc(C(F)F)c(F)c1F 238551143 573877711 /nfs/dbraw/zinc/87/77/11/573877711.db2.gz HOQALWAZDXNYGR-UHFFFAOYSA-N 0 0 183.079 2.437 10 0 AEAERN CN[C@](C)(c1ccoc1)C(F)(F)F 87307642 573877818 /nfs/dbraw/zinc/87/78/18/573877818.db2.gz YFZRJNQEAIVMRD-SSDOTTSWSA-N 0 0 193.168 2.277 10 0 AEAERN CC1(C)OC[C@@H](/C=C/C=C/Cl)O1 238176123 573877852 /nfs/dbraw/zinc/87/78/52/573877852.db2.gz CICFZMHYBHZSFS-KOHOLAGQSA-N 0 0 188.654 2.447 10 0 AEAERN C[C@H]1CSc2c(CON)cccc21 257895477 573877956 /nfs/dbraw/zinc/87/79/56/573877956.db2.gz AANIVOVCCCFXOH-ZETCQYMHSA-N 0 0 195.287 2.286 10 0 AEAERN C[C@@H](CCO)c1cc(C(C)(C)C)on1 716315650 573877961 /nfs/dbraw/zinc/87/79/61/573877961.db2.gz JUBHTOUHWPCXTL-QMMMGPOBSA-N 0 0 197.278 2.458 10 0 AEAERN CCCNc1cc(-c2ccoc2)[nH]n1 87307608 573879182 /nfs/dbraw/zinc/87/91/82/573879182.db2.gz NENFMWYVVHXZPM-UHFFFAOYSA-N 0 0 191.234 2.492 10 0 AEAERN CC1(C)OCc2ccc(O)cc21 80168975 573879941 /nfs/dbraw/zinc/87/99/41/573879941.db2.gz STGGENRPHBLBFO-UHFFFAOYSA-N 0 0 164.204 2.158 10 0 AEAERN CC(C)(O)CC1=CCCCC[C@@H]1O 238176056 573879192 /nfs/dbraw/zinc/87/91/92/573879192.db2.gz DICKBLZXHZDDKE-JTQLQIEISA-N 0 0 184.279 2.009 10 0 AEAERN CN[C@@](C)(c1ccoc1)C(F)(F)F 87307643 573879200 /nfs/dbraw/zinc/87/92/00/573879200.db2.gz YFZRJNQEAIVMRD-ZETCQYMHSA-N 0 0 193.168 2.277 10 0 AEAERN C[C@H]1Cc2cc(C=O)ccc2O[C@@H]1C 80164041 573879211 /nfs/dbraw/zinc/87/92/11/573879211.db2.gz CFSWCQBVZHELRF-DTWKUNHWSA-N 0 0 190.242 2.459 10 0 AEAERN CC(C)c1n[nH]c(=S)[nH]c1=S 238176677 573879285 /nfs/dbraw/zinc/87/92/85/573879285.db2.gz PBTGQZCRCXMRIE-UHFFFAOYSA-N 0 0 187.293 2.320 10 0 AEAERN C[C@@H]1Cc2cc(C=O)ccc2O[C@@H]1C 80164036 573879306 /nfs/dbraw/zinc/87/93/06/573879306.db2.gz CFSWCQBVZHELRF-RKDXNWHRSA-N 0 0 190.242 2.459 10 0 AEAERN CC(C)(C)[C@H]([NH3+])c1ccnc(F)c1 238176189 573879333 /nfs/dbraw/zinc/87/93/33/573879333.db2.gz BVHLCTJJBXCRLD-SECBINFHSA-N 0 0 182.242 2.267 10 0 AEAERN C[C@H](F)Cc1ccccc1CCO 258171103 573879346 /nfs/dbraw/zinc/87/93/46/573879346.db2.gz VVGPKMUQYDKZEE-VIFPVBQESA-N 0 0 182.238 2.122 10 0 AEAERN CC(C)Cc1cnccc1[C@@H](C)CO 238176627 573879387 /nfs/dbraw/zinc/87/93/87/573879387.db2.gz KZOHHKGHNYCUFV-JTQLQIEISA-N 0 0 193.290 2.376 10 0 AEAERN CC(C)(O)CCC1=C[C@H](O)CCC1 238176534 573879418 /nfs/dbraw/zinc/87/94/18/573879418.db2.gz RTXOMIYVAXBQSF-SNVBAGLBSA-N 0 0 184.279 2.009 10 0 AEAERN Fc1cccc(NCc2cnco2)c1 84413284 573879438 /nfs/dbraw/zinc/87/94/38/573879438.db2.gz BXHBBSCAQSDVKJ-UHFFFAOYSA-N 0 0 192.193 2.426 10 0 AEAERN CCC(F)(F)C1CCOCC1 258982437 573879451 /nfs/dbraw/zinc/87/94/51/573879451.db2.gz JYIJMCYSKCGHGT-UHFFFAOYSA-N 0 0 164.195 2.458 10 0 AEAERN CCCC[C@H](/C=C/CO)CCCO 222409749 573879501 /nfs/dbraw/zinc/87/95/01/573879501.db2.gz RQRVOIDMSVGWRS-TZOMUSMUSA-N 0 0 186.295 2.114 10 0 AEAERN Cc1occc1C(=O)[C@H]1CCCOC1 225034168 573879505 /nfs/dbraw/zinc/87/95/05/573879505.db2.gz KZOPXOGWBLBHJX-VIFPVBQESA-N 0 0 194.230 2.197 10 0 AEAERN CC(=O)[C@@H]1C[C@@H]2C=CCC[C@@H]21 238176017 573879564 /nfs/dbraw/zinc/87/95/64/573879564.db2.gz JIAREJRXEYOFEX-GUBZILKMSA-N 0 0 150.221 2.178 10 0 AEAERN C[C@@H]1c2ccc(F)cc2CC[C@@H]1O 259218035 573879581 /nfs/dbraw/zinc/87/95/81/573879581.db2.gz JSOKZCFHMPEQCX-HQJQHLMTSA-N 0 0 180.222 2.236 10 0 AEAERN O=C(Nc1ccsc1)C(F)(F)F 80111175 573879592 /nfs/dbraw/zinc/87/95/92/573879592.db2.gz GWFRCJGGALAJEO-UHFFFAOYSA-N 0 0 195.165 2.249 10 0 AEAERN CC(=O)[C@@H]1C[C@@H]2CCC[C@@H]21 238176200 573879624 /nfs/dbraw/zinc/87/96/24/573879624.db2.gz XBLXIHCCCYLMHM-CIUDSAMLSA-N 0 0 138.210 2.012 10 0 AEAERN CCC[C@@H](C)[C@H](C)OC(C)=O 223622188 573879679 /nfs/dbraw/zinc/87/96/79/573879679.db2.gz MGQOAYCKSOWYMX-SFYZADRCSA-N 0 0 158.241 2.374 10 0 AEAERN C[C@@H](O)[C@@H]1Cc2cc(F)ccc2S1 258170961 573879743 /nfs/dbraw/zinc/87/97/43/573879743.db2.gz SAUYLMXZKIHHPW-LDWIPMOCSA-N 0 0 198.262 2.223 10 0 AEAERN O[C@@H]1COC[C@@H]1CCC1CCCCC1 687966903 573879766 /nfs/dbraw/zinc/87/97/66/573879766.db2.gz OIOQQAGWBHZNKA-NWDGAFQWSA-N 0 0 198.306 2.354 10 0 AEAERN C[C@@H]1C[C@@]1(O)C1(C)CCCC1 87319110 573879770 /nfs/dbraw/zinc/87/97/70/573879770.db2.gz ARYZZYJOHAKSOR-SCZZXKLOSA-N 0 0 154.253 2.338 10 0 AEAERN CC1(C2(O)CC2)CCCC1 87319096 573879794 /nfs/dbraw/zinc/87/97/94/573879794.db2.gz RRKDQUKYQJVKSW-UHFFFAOYSA-N 0 0 140.226 2.092 10 0 AEAERN CC(F)(F)c1cccc(CCO)c1 258171119 573879873 /nfs/dbraw/zinc/87/98/73/573879873.db2.gz VVLMBGRUFQONSY-UHFFFAOYSA-N 0 0 186.201 2.333 10 0 AEAERN Cn1cc(-c2ccc(F)cc2)cc1N 258170940 573879891 /nfs/dbraw/zinc/87/98/91/573879891.db2.gz ROVUDFCPSQNJOH-UHFFFAOYSA-N 0 0 190.221 2.413 10 0 AEAERN CCc1cncc2cc(CO)ccc12 258171112 573880377 /nfs/dbraw/zinc/88/03/77/573880377.db2.gz VVKMHQRBWRNPQE-UHFFFAOYSA-N 0 0 187.242 2.290 10 0 AEAERN O=c1ccccn1C[C@H]1CC=CCC1 402116301 573880417 /nfs/dbraw/zinc/88/04/17/573880417.db2.gz AKTXKUQORGAOFO-NSHDSACASA-N 0 0 189.258 2.205 10 0 AEAERN Cc1ccc(F)c(Cl)c1CCO 258171221 573880462 /nfs/dbraw/zinc/88/04/62/573880462.db2.gz VXSSZNAIWLTLHB-UHFFFAOYSA-N 0 0 188.629 2.322 10 0 AEAERN CCOC(=O)Nc1ccsc1 80111193 573880476 /nfs/dbraw/zinc/88/04/76/573880476.db2.gz IRVMMAFJEYAJAY-UHFFFAOYSA-N 0 0 171.221 2.317 10 0 AEAERN C[C@@H]1Oc2ccc(C=O)cc2C[C@H]1C 80164045 573880554 /nfs/dbraw/zinc/88/05/54/573880554.db2.gz CFSWCQBVZHELRF-BDAKNGLRSA-N 0 0 190.242 2.459 10 0 AEAERN Cc1ccc(CO)nc1CC(C)C 238178222 573880567 /nfs/dbraw/zinc/88/05/67/573880567.db2.gz RNWQBSHOXAFACB-UHFFFAOYSA-N 0 0 179.263 2.081 10 0 AEAERN C/C=C/C(=O)Nc1cc(C(C)C)no1 87333657 573880576 /nfs/dbraw/zinc/88/05/76/573880576.db2.gz MVJFVKLIRFVZCI-SNAWJCMRSA-N 0 0 194.234 2.313 10 0 AEAERN CC1=C[C@@H]2CCC(=O)[C@H]2CC1 238178432 573880630 /nfs/dbraw/zinc/88/06/30/573880630.db2.gz NLQMBGNDRCTDSP-IUCAKERBSA-N 0 0 150.221 2.322 10 0 AEAERN Clc1c[nH]c(C2CCC2)n1 258519009 573880636 /nfs/dbraw/zinc/88/06/36/573880636.db2.gz LOBLCUAEAKMQQA-UHFFFAOYSA-N 0 0 156.616 2.331 10 0 AEAERN C[C@@H](O)[C@H]1Cc2cc(F)ccc2S1 258170965 573880757 /nfs/dbraw/zinc/88/07/57/573880757.db2.gz SAUYLMXZKIHHPW-LHLIQPBNSA-N 0 0 198.262 2.223 10 0 AEAERN CCOC1CC(O)(CCC2CC2)C1 233768838 573880792 /nfs/dbraw/zinc/88/07/92/573880792.db2.gz PQTZXYYZEUPLQB-UHFFFAOYSA-N 0 0 184.279 2.107 10 0 AEAERN C/C=C/C(=O)N[C@@H]1CC[C@H](C)[C@@H]1C 87333823 573880915 /nfs/dbraw/zinc/88/09/15/573880915.db2.gz AKVCWTKFERBXJZ-DOJWVHCASA-N 0 0 181.279 2.113 10 0 AEAERN O=Cc1cc2cc[nH]c2s1 76578218 573880919 /nfs/dbraw/zinc/88/09/19/573880919.db2.gz MHMYKPBECHVDQK-UHFFFAOYSA-N 0 0 151.190 2.042 10 0 AEAERN COc1ccc(-c2c[nH]cc2N)cc1 258171011 573880940 /nfs/dbraw/zinc/88/09/40/573880940.db2.gz RPDUBHVQMUXKCM-UHFFFAOYSA-N 0 0 188.230 2.273 10 0 AEAERN COCN(C)CCc1cccc(C)c1 259218619 573881016 /nfs/dbraw/zinc/88/10/16/573881016.db2.gz XOGNNESTHUZBKV-UHFFFAOYSA-N 0 0 193.290 2.073 10 0 AEAERN Cc1ccc(/C=C2/CCC(=O)N2)cc1 238553404 573881018 /nfs/dbraw/zinc/88/10/18/573881018.db2.gz OGDFNIIBCPIQKS-FLIBITNWSA-N 0 0 187.242 2.246 10 0 AEAERN C[C@H](O)[C@H]1Cc2cc(F)ccc2S1 258170967 573881031 /nfs/dbraw/zinc/88/10/31/573881031.db2.gz SAUYLMXZKIHHPW-QUBYGPBYSA-N 0 0 198.262 2.223 10 0 AEAERN CC(C)Cc1ncc(C(C)C)nc1N 238178985 573881075 /nfs/dbraw/zinc/88/10/75/573881075.db2.gz RAVDLJKRWZKIOB-UHFFFAOYSA-N 0 0 193.294 2.381 10 0 AEAERN Clc1cc([C@@H]2CCCOC2)ncn1 716321684 573881077 /nfs/dbraw/zinc/88/10/77/573881077.db2.gz SZZDJLYEPPXOEP-SSDOTTSWSA-N 0 0 198.653 2.024 10 0 AEAERN CC(=O)Oc1c[nH]c2cc(F)ccc12 101752112 573881088 /nfs/dbraw/zinc/88/10/88/573881088.db2.gz DGWVDNRYCBRRTP-UHFFFAOYSA-N 0 0 193.177 2.232 10 0 AEAERN Cc1c[nH]c2c(C)cc(N)cc12 238556090 573881110 /nfs/dbraw/zinc/88/11/10/573881110.db2.gz DDKFJPOTWFHQCK-UHFFFAOYSA-N 0 0 160.220 2.367 10 0 AEAERN CCC1(c2cc(N)no2)CCCC1 87330721 573881127 /nfs/dbraw/zinc/88/11/27/573881127.db2.gz FGFOSRSLSAOYFO-UHFFFAOYSA-N 0 0 180.251 2.479 10 0 AEAERN c1csc(NC2CC2)c1 76573892 573881138 /nfs/dbraw/zinc/88/11/38/573881138.db2.gz RBOUARJGHCLHRA-UHFFFAOYSA-N 0 0 139.223 2.322 10 0 AEAERN CSc1cccc(O)c1[C@@H](C)O 258171204 573881153 /nfs/dbraw/zinc/88/11/53/573881153.db2.gz VXLVKYLPFRRFQE-ZCFIWIBFSA-N 0 0 184.260 2.167 10 0 AEAERN CCCC[C@@H](/C=C\CO)CCCO 222409802 573881159 /nfs/dbraw/zinc/88/11/59/573881159.db2.gz RQRVOIDMSVGWRS-IBHLPDHGSA-N 0 0 186.295 2.114 10 0 AEAERN O[C@H]1CSCc2ccc(F)cc21 125377823 573883866 /nfs/dbraw/zinc/88/38/66/573883866.db2.gz DGOAVPVTEVSYOS-VIFPVBQESA-N 0 0 184.235 2.106 10 0 AEAERN CC1=C[C@@H](c2ccccc2)O[C@H]1O 238177673 573883887 /nfs/dbraw/zinc/88/38/87/573883887.db2.gz JFSASVVSSUXEEG-WDEREUQCSA-N 0 0 176.215 2.023 10 0 AEAERN CC(=O)[C@@H]1[C@@H]2CCCC[C@@]21C 238177648 573883923 /nfs/dbraw/zinc/88/39/23/573883923.db2.gz LKVHKMFHYJOPIG-AEJSXWLSSA-N 0 0 152.237 2.402 10 0 AEAERN CC1=C[C@@H]2CCC(=O)[C@@H]2CC1 238178356 573883934 /nfs/dbraw/zinc/88/39/34/573883934.db2.gz NLQMBGNDRCTDSP-DTWKUNHWSA-N 0 0 150.221 2.322 10 0 AEAERN Cc1csc2ccc(N)c(N)c12 238555344 573883938 /nfs/dbraw/zinc/88/39/38/573883938.db2.gz WKHMWPUWRIVDRT-UHFFFAOYSA-N 0 0 178.260 2.374 10 0 AEAERN CCCCCC(=O)C=CN 102081709 573883963 /nfs/dbraw/zinc/88/39/63/573883963.db2.gz BMEMLTKWCQNALM-UHFFFAOYSA-N 0 0 141.214 2.175 10 0 AEAERN Cc1ccc([C@@]2(O)C[C@H]2C)c(F)c1 87333183 573883301 /nfs/dbraw/zinc/88/33/01/573883301.db2.gz GYYNMAADKPARQJ-LDYMZIIASA-N 0 0 180.222 2.362 10 0 AEAERN CCC[C@H](O)[C@@H](CC)n1ccnc1C 44180943 573883357 /nfs/dbraw/zinc/88/33/57/573883357.db2.gz FLMUDXFUVDLMGZ-MNOVXSKESA-N 0 0 196.294 2.304 10 0 AEAERN CC(=O)Cc1ccc2c(c1)C[C@H](C)N2 258173000 573883463 /nfs/dbraw/zinc/88/34/63/573883463.db2.gz SFIXTVYCRPNSOR-QMMMGPOBSA-N 0 0 189.258 2.175 10 0 AEAERN CSCC(=O)C1(C)CCCC1 87317026 573883475 /nfs/dbraw/zinc/88/34/75/573883475.db2.gz ZWIWVYQTCUCNBM-UHFFFAOYSA-N 0 0 172.293 2.499 10 0 AEAERN Cc1cccc(OC[C@@H](C)CO)c1 41201329 573883528 /nfs/dbraw/zinc/88/35/28/573883528.db2.gz JKDKXOREUUHSHM-JTQLQIEISA-N 0 0 180.247 2.002 10 0 AEAERN CCC1(c2cc(N)n[nH]2)CCCC1 87316869 573883581 /nfs/dbraw/zinc/88/35/81/573883581.db2.gz JRUIRQRHANHOAL-UHFFFAOYSA-N 0 0 179.267 2.214 10 0 AEAERN CC(C)[C@@H]1C2CCC(CC2)[C@H]1C(N)=O 238178236 573883623 /nfs/dbraw/zinc/88/36/23/573883623.db2.gz VRPUEXQBTJSJEJ-JPPWEJMLSA-N 0 0 195.306 2.180 10 0 AEAERN CC(C)[C@@H]1[C@H]2CC[C@@H]1C(=O)C2 238177863 573883660 /nfs/dbraw/zinc/88/36/60/573883660.db2.gz CQURMUUDDPKREO-QXFUBDJGSA-N 0 0 152.237 2.258 10 0 AEAERN CC1CCC(COC(N)=S)CC1 238178372 573883697 /nfs/dbraw/zinc/88/36/97/573883697.db2.gz NAGFNTAOBCJPKO-UHFFFAOYSA-N 0 0 187.308 2.073 10 0 AEAERN CCC1(c2nnc(N)s2)CCCC1 87317175 573883699 /nfs/dbraw/zinc/88/36/99/573883699.db2.gz DWFMODYGLUNMEN-UHFFFAOYSA-N 0 0 197.307 2.342 10 0 AEAERN CC(C)c1nc(C(C)C)n(C)c1CO 238178165 573883704 /nfs/dbraw/zinc/88/37/04/573883704.db2.gz PKLPVLARNZETDL-UHFFFAOYSA-N 0 0 196.294 2.159 10 0 AEAERN Cc1cn2ccccc2c1C=O 238554474 573885220 /nfs/dbraw/zinc/88/52/20/573885220.db2.gz XWOQLYMLKDJKFZ-UHFFFAOYSA-N 0 0 159.188 2.060 10 0 AEAERN CC(=O)C[C@H]1Cc2ccc(C)cc2O1 258172902 573885284 /nfs/dbraw/zinc/88/52/84/573885284.db2.gz SEUVUDJONUBMFG-NSHDSACASA-N 0 0 190.242 2.278 10 0 AEAERN COc1ccc2c(O)cc(N)cc2c1 257892813 573885290 /nfs/dbraw/zinc/88/52/90/573885290.db2.gz XKDIDOUQQGIZAB-UHFFFAOYSA-N 0 0 189.214 2.136 10 0 AEAERN Cc1ccsc1C(F)(F)[C@H](C)N 259220107 573885346 /nfs/dbraw/zinc/88/53/46/573885346.db2.gz RJHQGJYCGIOWDE-LURJTMIESA-N 0 0 191.246 2.496 10 0 AEAERN Clc1cnnc(-c2ccncc2)c1 238560821 573885397 /nfs/dbraw/zinc/88/53/97/573885397.db2.gz AQQKSLPBTDJBPP-UHFFFAOYSA-N 0 0 191.621 2.192 10 0 AEAERN O[C@H](CC1CCCC1)c1ncc[nH]1 87339868 573885410 /nfs/dbraw/zinc/88/54/10/573885410.db2.gz SBPXQLQNGIYEKV-SECBINFHSA-N 0 0 180.251 2.023 10 0 AEAERN Cc1ccc(C(F)F)c(CCO)c1 258171143 573885437 /nfs/dbraw/zinc/88/54/37/573885437.db2.gz VWAICTVQCYVMBC-UHFFFAOYSA-N 0 0 186.201 2.467 10 0 AEAERN CC(=O)[C@H](F)CC1CCC1 258445218 573885918 /nfs/dbraw/zinc/88/59/18/573885918.db2.gz FIPXTVWZRHIBKU-MRVPVSSYSA-N 0 0 144.189 2.104 10 0 AEAERN CC[C@H](CO)c1ccc(OC)cc1 41201245 573885516 /nfs/dbraw/zinc/88/55/16/573885516.db2.gz IIUBKYYKWPIUGF-SECBINFHSA-N 0 0 180.247 2.181 10 0 AEAERN CCOc1ccc([C@@H](C)CO)cc1 41201293 573885562 /nfs/dbraw/zinc/88/55/62/573885562.db2.gz ZYQOHMPPVYYEEH-VIFPVBQESA-N 0 0 180.247 2.181 10 0 AEAERN CC(C)=C[C@@]1(O)COC[C@H]1CC(C)C 716330059 573885575 /nfs/dbraw/zinc/88/55/75/573885575.db2.gz QJLMWVDOMLLWBG-VXGBXAGGSA-N 0 0 198.306 2.376 10 0 AEAERN CC(C)(C)[C@H](O)C[C@H]1C=CCCO1 238179825 573885597 /nfs/dbraw/zinc/88/55/97/573885597.db2.gz ZDBYPYHZVXUKPL-NXEZZACHSA-N 0 0 184.279 2.129 10 0 AEAERN Cc1ccc(CO)nc1C(C)C 238180336 573885619 /nfs/dbraw/zinc/88/56/19/573885619.db2.gz PEDATAOJOCWUDO-UHFFFAOYSA-N 0 0 165.236 2.006 10 0 AEAERN CCC[C@@H](O)[C@H](CC)n1ccnc1C 44180949 573885672 /nfs/dbraw/zinc/88/56/72/573885672.db2.gz FLMUDXFUVDLMGZ-WDEREUQCSA-N 0 0 196.294 2.304 10 0 AEAERN CC1=C[C@H]2C(=O)C[C@@H]2C1(C)C 238179896 573885691 /nfs/dbraw/zinc/88/56/91/573885691.db2.gz TYZDLWNTPQIVIZ-SFYZADRCSA-N 0 0 150.221 2.178 10 0 AEAERN C[C@@H]1C[C@@]1(CO)c1ccc(F)c(F)c1 258984589 573885795 /nfs/dbraw/zinc/88/57/95/573885795.db2.gz KDVYAUUAKXULTM-HQJQHLMTSA-N 0 0 198.212 2.235 10 0 AEAERN O[C@@H]1CSCc2ccc(F)cc21 125377658 573885864 /nfs/dbraw/zinc/88/58/64/573885864.db2.gz DGOAVPVTEVSYOS-SECBINFHSA-N 0 0 184.235 2.106 10 0 AEAERN Cc1ccc(-c2cc(C)[nH]n2)c(O)c1 238555278 573885877 /nfs/dbraw/zinc/88/58/77/573885877.db2.gz IVKKTFGOSMMDNW-UHFFFAOYSA-N 0 0 188.230 2.399 10 0 AEAERN CC(=O)[C@@H](F)CC1CCC1 258445222 573885880 /nfs/dbraw/zinc/88/58/80/573885880.db2.gz FIPXTVWZRHIBKU-QMMMGPOBSA-N 0 0 144.189 2.104 10 0 AEAERN C[C@@H]1CCC[C@@H]([C@H](O)c2ncc[nH]2)C1 87339809 573885901 /nfs/dbraw/zinc/88/59/01/573885901.db2.gz FZGFFXYHXJUDCB-BBBLOLIVSA-N 0 0 194.278 2.269 10 0 AEAERN CCCCCO[C@@H](C)[C@H](O)CC 44235848 573890046 /nfs/dbraw/zinc/89/00/46/573890046.db2.gz VSXXNTQSBWACAU-VHSXEESVSA-N 0 0 174.284 2.353 10 0 AEAERN CCCCCO[C@@H]1CCC[C@@H]1O 44236108 573890053 /nfs/dbraw/zinc/89/00/53/573890053.db2.gz BPILGANNYVRQHH-VHSXEESVSA-N 0 0 172.268 2.107 10 0 AEAERN CCCC1=N[C@@H]2CC[C@H](O)C[C@H]2S1 257894357 573889420 /nfs/dbraw/zinc/88/94/20/573889420.db2.gz GXFFICJLIRUNFK-DJLDLDEBSA-N 0 0 199.319 2.214 10 0 AEAERN CCO[C@@H](C)[C@@H](O)c1ccc(C)cc1 44193253 573889422 /nfs/dbraw/zinc/88/94/22/573889422.db2.gz MLUHQNGXMDETKE-CMPLNLGQSA-N 0 0 194.274 2.453 10 0 AEAERN CCO[C@H](C)[C@@H](O)c1ccccc1 44193356 573889427 /nfs/dbraw/zinc/88/94/27/573889427.db2.gz OLIBIXULGFQTAV-MWLCHTKSSA-N 0 0 180.247 2.145 10 0 AEAERN CC[NH2+][C@@H](CC)c1ncccc1F 131591448 573889438 /nfs/dbraw/zinc/88/94/38/573889438.db2.gz PSXYVBCJBMBYOH-VIFPVBQESA-N 0 0 182.242 2.281 10 0 AEAERN CC[C@H](OC)[C@H](O)c1ccccc1 44192654 573889444 /nfs/dbraw/zinc/88/94/44/573889444.db2.gz YOGMYHQFVWAODY-WDEREUQCSA-N 0 0 180.247 2.145 10 0 AEAERN CCCCCCO[C@H](C)[C@H](C)O 44229243 573889455 /nfs/dbraw/zinc/88/94/55/573889455.db2.gz QQCJXUYSAMNZKH-VHSXEESVSA-N 0 0 174.284 2.353 10 0 AEAERN Cc1ccc(C[C@@H](CO)C(C)C)o1 259221901 573889473 /nfs/dbraw/zinc/88/94/73/573889473.db2.gz GYBKIWVIWSPLFE-JTQLQIEISA-N 0 0 182.263 2.395 10 0 AEAERN COC(C)(C)c1cccc(CNO)c1 259577589 573889492 /nfs/dbraw/zinc/88/94/92/573889492.db2.gz XZLSWLKXUZJDKI-UHFFFAOYSA-N 0 0 195.262 2.047 10 0 AEAERN Cc1cc(C)cc(OC[C@@H](C)CO)c1 41206804 573889496 /nfs/dbraw/zinc/88/94/96/573889496.db2.gz LSECBUFPLMIEKZ-NSHDSACASA-N 0 0 194.274 2.311 10 0 AEAERN Cc1ccc(C(=O)[C@H]2OCC[C@@H]2C)o1 123006080 573889505 /nfs/dbraw/zinc/88/95/05/573889505.db2.gz COFLSERKLWOXJZ-CPCISQLKSA-N 0 0 194.230 2.196 10 0 AEAERN Clc1ccc(C2COC2)cc1 238562699 573889511 /nfs/dbraw/zinc/88/95/11/573889511.db2.gz KLNDOFPXDAICOQ-UHFFFAOYSA-N 0 0 168.623 2.454 10 0 AEAERN COc1ccc(SC(N)=O)cc1C 259223319 573889523 /nfs/dbraw/zinc/88/95/23/573889523.db2.gz MOVIXGHHBMQODX-UHFFFAOYSA-N 0 0 197.259 2.174 10 0 AEAERN Cc1ccncc1OC(F)(F)F 197112932 573889533 /nfs/dbraw/zinc/88/95/33/573889533.db2.gz VBQJZRPJCLCVGX-UHFFFAOYSA-N 0 0 177.125 2.289 10 0 AEAERN Cc1cc(C(=O)c2ncc[nH]2)cs1 87339290 573889540 /nfs/dbraw/zinc/88/95/40/573889540.db2.gz XHGLQAGUHNCCAS-UHFFFAOYSA-N 0 0 192.243 2.011 10 0 AEAERN CCCCCO[C@H](C)[C@H](O)CC 44235852 573889551 /nfs/dbraw/zinc/88/95/51/573889551.db2.gz VSXXNTQSBWACAU-NXEZZACHSA-N 0 0 174.284 2.353 10 0 AEAERN Cc1ccc2c(c1)[C@@H](O)CSC2 125383706 573889558 /nfs/dbraw/zinc/88/95/58/573889558.db2.gz LKUFNVRABVSASR-JTQLQIEISA-N 0 0 180.272 2.275 10 0 AEAERN C[C@H]1C[C@H](C)N1CC(F)(F)F 306359852 573889610 /nfs/dbraw/zinc/88/96/10/573889610.db2.gz LLLVHAHAOFWTAZ-WDSKDSINSA-N 0 0 167.174 2.031 10 0 AEAERN Cc1cccc2c1N[C@@H]1C[C@H]21 257894502 573889613 /nfs/dbraw/zinc/88/96/13/573889613.db2.gz JQKHGWGSFVPRAZ-RKDXNWHRSA-N 0 0 145.205 2.276 10 0 AEAERN CC[C@@H](O)[C@H](C)Oc1ccc(F)cc1 44212571 573889618 /nfs/dbraw/zinc/88/96/18/573889618.db2.gz XVLXRWWVYFTWFU-GZMMTYOYSA-N 0 0 198.237 2.364 10 0 AEAERN CO[C@H]1C[C@H]1C(=O)CCC(C)(C)C 690000887 573889700 /nfs/dbraw/zinc/88/97/00/573889700.db2.gz AKXWNZNNOUHARX-WPRPVWTQSA-N 0 0 184.279 2.417 10 0 AEAERN C[C@H]1CCC[C@H](O[C@@H]2CCC[C@@H]2O)C1 44231054 573889705 /nfs/dbraw/zinc/88/97/05/573889705.db2.gz JZLOFTIEYQJKMM-FIQHERPVSA-N 0 0 198.306 2.495 10 0 AEAERN Fc1c(Cl)ccn2nccc12 238561385 573889710 /nfs/dbraw/zinc/88/97/10/573889710.db2.gz MFECFOAOJCUUFL-UHFFFAOYSA-N 0 0 170.574 2.127 10 0 AEAERN CCCCCCOCC[C@H](C)O 44229178 573889778 /nfs/dbraw/zinc/88/97/78/573889778.db2.gz VGMQNLYKAKBDGB-JTQLQIEISA-N 0 0 174.284 2.354 10 0 AEAERN Cc1cccc2c1N[C@H]1C[C@@H]21 257894500 573889783 /nfs/dbraw/zinc/88/97/83/573889783.db2.gz JQKHGWGSFVPRAZ-IUCAKERBSA-N 0 0 145.205 2.276 10 0 AEAERN CCc1cccc(-c2cc(N)n[nH]2)c1 258173669 573889818 /nfs/dbraw/zinc/88/98/18/573889818.db2.gz VZNMVEXQDGNUSK-UHFFFAOYSA-N 0 0 187.246 2.221 10 0 AEAERN COc1ccc2cc(N)cc(C)c2n1 145000015 573889839 /nfs/dbraw/zinc/88/98/39/573889839.db2.gz JBIRDQXAMVOHAO-UHFFFAOYSA-N 0 0 188.230 2.134 10 0 AEAERN CCC12CCC(C(=O)NC)(CC1)CC2 144945372 573889956 /nfs/dbraw/zinc/88/99/56/573889956.db2.gz CUNWPWYFJMUUEN-UHFFFAOYSA-N 0 0 195.306 2.483 10 0 AEAERN CCCCCCO[C@H]1CCC[C@H]1O 44229670 573889971 /nfs/dbraw/zinc/88/99/71/573889971.db2.gz JTOGESRUBGCHEU-MNOVXSKESA-N 0 0 186.295 2.497 10 0 AEAERN C[C@H]1CSc2c(O)cccc2N1 259220933 573889994 /nfs/dbraw/zinc/88/99/94/573889994.db2.gz LVKWCTHZHYZFRQ-LURJTMIESA-N 0 0 181.260 2.298 10 0 AEAERN CONCc1ccc([C@@H](C)OC)cc1 258173798 573893183 /nfs/dbraw/zinc/89/31/83/573893183.db2.gz WBTJIMSOADPKLO-SECBINFHSA-N 0 0 195.262 2.045 10 0 AEAERN CCO[C@H](C)[C@H](O)c1ccc(C)cc1 44193250 573893843 /nfs/dbraw/zinc/89/38/43/573893843.db2.gz MLUHQNGXMDETKE-PWSUYJOCSA-N 0 0 194.274 2.453 10 0 AEAERN CCCCOC[C@H](O)C(C)(C)C 44235416 573893894 /nfs/dbraw/zinc/89/38/94/573893894.db2.gz JPWFKEWFVNEFQE-VIFPVBQESA-N 0 0 174.284 2.210 10 0 AEAERN Cc1ccc(C[C@H](CO)C(C)C)o1 259221902 573893191 /nfs/dbraw/zinc/89/31/91/573893191.db2.gz GYBKIWVIWSPLFE-SNVBAGLBSA-N 0 0 182.263 2.395 10 0 AEAERN CC[C@H](O)[C@@H](C)OC(C)(C)CC 44228716 573893206 /nfs/dbraw/zinc/89/32/06/573893206.db2.gz RVIGCYIOXFWRNC-BDAKNGLRSA-N 0 0 174.284 2.351 10 0 AEAERN CCO[C@@H](C)[C@@H](O)c1ccccc1 44193353 573893213 /nfs/dbraw/zinc/89/32/13/573893213.db2.gz OLIBIXULGFQTAV-GXSJLCMTSA-N 0 0 180.247 2.145 10 0 AEAERN CC[C@H](O)[C@@H](C)Oc1ccccc1F 44197620 573893219 /nfs/dbraw/zinc/89/32/19/573893219.db2.gz BKRXEJPBBLRMAU-SCZZXKLOSA-N 0 0 198.237 2.364 10 0 AEAERN CC(C)CCCOCC[C@@H](C)O 44227814 573893223 /nfs/dbraw/zinc/89/32/23/573893223.db2.gz NPCNADMIKLTYOE-SNVBAGLBSA-N 0 0 174.284 2.210 10 0 AEAERN CC/C=C/[C@@H]1CCCCC(=O)N1 144963304 573893241 /nfs/dbraw/zinc/89/32/41/573893241.db2.gz PRCPRCQJANQCKO-BSPAPZMXSA-N 0 0 167.252 2.011 10 0 AEAERN Cc1cc(ON)ccc1C(C)C 76595196 573893294 /nfs/dbraw/zinc/89/32/94/573893294.db2.gz KVYRFTUOFFQGJD-UHFFFAOYSA-N 0 0 165.236 2.371 10 0 AEAERN Nc1n[nH]cc1-c1ccccc1CF 258173882 573893323 /nfs/dbraw/zinc/89/33/23/573893323.db2.gz WDETUQVKYVSSBF-UHFFFAOYSA-N 0 0 191.209 2.128 10 0 AEAERN CCc1nc(N)cc(-c2ccccc2)n1 44262610 573893386 /nfs/dbraw/zinc/89/33/86/573893386.db2.gz WVSUEDPYKJNHBC-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN Cc1[nH]c2cccc(N)c2c1C 144965410 573893392 /nfs/dbraw/zinc/89/33/92/573893392.db2.gz DPUGCFBTWBSNDC-UHFFFAOYSA-N 0 0 160.220 2.367 10 0 AEAERN COc1c([C@H](C)O)ccc2[nH]ccc12 258173791 573893420 /nfs/dbraw/zinc/89/34/20/573893420.db2.gz WBSTXEVIVBCKOI-ZETCQYMHSA-N 0 0 191.230 2.230 10 0 AEAERN CCCCCCO[C@@H]1CCC[C@@H]1O 44229655 573893465 /nfs/dbraw/zinc/89/34/65/573893465.db2.gz JTOGESRUBGCHEU-WDEREUQCSA-N 0 0 186.295 2.497 10 0 AEAERN CC[C@@H](OC)[C@H](O)c1ccccc1 44192657 573893519 /nfs/dbraw/zinc/89/35/19/573893519.db2.gz YOGMYHQFVWAODY-GHMZBOCLSA-N 0 0 180.247 2.145 10 0 AEAERN [NH3+][C@@H]1CC(=O)c2cccc(C(F)F)c21 238562875 573893543 /nfs/dbraw/zinc/89/35/43/573893543.db2.gz RAHPECKWEJNPMB-SSDOTTSWSA-N 0 0 197.184 2.210 10 0 AEAERN C[C@@H]1CSc2c(O)cccc2N1 259220935 573893569 /nfs/dbraw/zinc/89/35/69/573893569.db2.gz LVKWCTHZHYZFRQ-ZCFIWIBFSA-N 0 0 181.260 2.298 10 0 AEAERN CCc1ccccc1O[C@@H](C)[C@@H](C)O 44233771 573893576 /nfs/dbraw/zinc/89/35/76/573893576.db2.gz GZBKYWDADDVBAD-ZJUUUORDSA-N 0 0 194.274 2.397 10 0 AEAERN CC[C@@H](O)[C@@H](C)n1ccnc1C(C)C 44184960 573893612 /nfs/dbraw/zinc/89/36/12/573893612.db2.gz NTBMOTFUSBFEER-NXEZZACHSA-N 0 0 196.294 2.338 10 0 AEAERN CC[C@@H](C)OC[C@@H](O)C(C)(C)C 44236657 573893638 /nfs/dbraw/zinc/89/36/38/573893638.db2.gz LCNDKUJXPFXBES-RKDXNWHRSA-N 0 0 174.284 2.209 10 0 AEAERN COc1cccc2c([C@@H](C)O)coc12 257894660 573893648 /nfs/dbraw/zinc/89/36/48/573893648.db2.gz LQKDKEYMMJPCAE-SSDOTTSWSA-N 0 0 192.214 2.495 10 0 AEAERN CC[C@H](OC)[C@@H](O)c1ccccc1 44192660 573893654 /nfs/dbraw/zinc/89/36/54/573893654.db2.gz YOGMYHQFVWAODY-QWRGUYRKSA-N 0 0 180.247 2.145 10 0 AEAERN CC[C@@H](O)[C@@H](C)Oc1ccccc1 44212933 573893663 /nfs/dbraw/zinc/89/36/63/573893663.db2.gz QRRVMHUOJVBNCC-MWLCHTKSSA-N 0 0 180.247 2.225 10 0 AEAERN CCc1ccc(-c2ccc(N)nn2)cc1 41209887 573893739 /nfs/dbraw/zinc/89/37/39/573893739.db2.gz NQUQGKCKCZMTJB-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN O[C@H](Cc1ccc[nH]1)c1ccccc1 80384397 573893761 /nfs/dbraw/zinc/89/37/61/573893761.db2.gz PESQCCDZZKHDJA-GFCCVEGCSA-N 0 0 187.242 2.291 10 0 AEAERN CCCCOC[C@@H](O)C(C)(C)C 44235420 573893794 /nfs/dbraw/zinc/89/37/94/573893794.db2.gz JPWFKEWFVNEFQE-SECBINFHSA-N 0 0 174.284 2.210 10 0 AEAERN N#CN1CCc2cc3ccccc3nc21 259220913 573893815 /nfs/dbraw/zinc/89/38/15/573893815.db2.gz KKESONFDOIFCJI-UHFFFAOYSA-N 0 0 195.225 2.078 10 0 AEAERN C[C@H]1CCCC[C@H]1OCC[C@@H](C)O 44217553 573894954 /nfs/dbraw/zinc/89/49/54/573894954.db2.gz JOMLKORXDHQWCF-HBNTYKKESA-N 0 0 186.295 2.353 10 0 AEAERN CC1(C)C=C[C@H]1C1(C)CC(O)C1 238174321 573894976 /nfs/dbraw/zinc/89/49/76/573894976.db2.gz FNMQHCTZLMAIEQ-INWMGODYSA-N 0 0 166.264 2.360 10 0 AEAERN CC(=O)[C@@H]1CC[C@@H]2C=CC[C@@H]21 238175181 573894985 /nfs/dbraw/zinc/89/49/85/573894985.db2.gz YSZGVDAYNFHOQM-GUBZILKMSA-N 0 0 150.221 2.178 10 0 AEAERN CC(C)=Cc1ccc(C(N)=O)cc1 238173959 573895088 /nfs/dbraw/zinc/89/50/88/573895088.db2.gz MOOLZNATWBTJJD-UHFFFAOYSA-N 0 0 175.231 2.209 10 0 AEAERN Cc1ccoc1-c1cc(N)cn1C 76601385 573895095 /nfs/dbraw/zinc/89/50/95/573895095.db2.gz ILKOEKMARNDQPW-UHFFFAOYSA-N 0 0 176.219 2.176 10 0 AEAERN CCC1CCC([C@H]2COC[C@H]2O)CC1 687967189 573895778 /nfs/dbraw/zinc/89/57/78/573895778.db2.gz RFVQGWNMNVQSSS-KIDURHIOSA-N 0 0 198.306 2.210 10 0 AEAERN CC[C@@H](O)[C@@H](C)OCCC(C)C 44218303 573895108 /nfs/dbraw/zinc/89/51/08/573895108.db2.gz LXGRFDUMJYBHOW-NXEZZACHSA-N 0 0 174.284 2.209 10 0 AEAERN S=c1[nH]cc(Cl)c(=S)[nH]1 238563407 573895134 /nfs/dbraw/zinc/89/51/34/573895134.db2.gz SGAJGRVIXRHDAJ-UHFFFAOYSA-N 0 0 178.669 2.455 10 0 AEAERN CC(C)N1C(=O)NCC12CCCCC2 238174162 573895142 /nfs/dbraw/zinc/89/51/42/573895142.db2.gz PQOBZKUXUTVCIP-UHFFFAOYSA-N 0 0 196.294 2.123 10 0 AEAERN CC1=N[C@](C)(C(C)(C)C)NC1=S 238175147 573895152 /nfs/dbraw/zinc/89/51/52/573895152.db2.gz GWYSEKCWNAYOFZ-VIFPVBQESA-N 0 0 184.308 2.140 10 0 AEAERN Cc1cnn([C@H](C)C2(C)CC2)c1N 87363389 573895186 /nfs/dbraw/zinc/89/51/86/573895186.db2.gz RTTUGNFEIADEEU-MRVPVSSYSA-N 0 0 179.267 2.135 10 0 AEAERN c1ccc2c(-c3nnco3)c[nH]c2c1 102303604 573895216 /nfs/dbraw/zinc/89/52/16/573895216.db2.gz RNQOXZZZQQAXPQ-UHFFFAOYSA-N 0 0 185.186 2.218 10 0 AEAERN COc1c([C@@H](C)O)ccc2[nH]ccc12 258173787 573895286 /nfs/dbraw/zinc/89/52/86/573895286.db2.gz WBSTXEVIVBCKOI-SSDOTTSWSA-N 0 0 191.230 2.230 10 0 AEAERN Cn1cc(-c2ccoc2)cc1C=O 76600703 573895303 /nfs/dbraw/zinc/89/53/03/573895303.db2.gz FXPCPKBFQFVDCA-UHFFFAOYSA-N 0 0 175.187 2.098 10 0 AEAERN CC1(C)C=C[C@H]2C(=O)CC[C@H]21 238173988 573895308 /nfs/dbraw/zinc/89/53/08/573895308.db2.gz GHDATYYNXZTYPS-HTQZYQBOSA-N 0 0 150.221 2.178 10 0 AEAERN Fc1ccc2c(c1)[C@H]1C[C@H]1CN2 258445737 573895336 /nfs/dbraw/zinc/89/53/36/573895336.db2.gz FMFRIEZANRVBJR-XPUUQOCRSA-N 0 0 163.195 2.355 10 0 AEAERN CC(C)(OC(N)=O)c1ccccc1 102299406 573895388 /nfs/dbraw/zinc/89/53/88/573895388.db2.gz UCZSGRLQZLKLCQ-UHFFFAOYSA-N 0 0 179.219 2.017 10 0 AEAERN CC(C)CCO[C@H]1CCCC[C@H]1O 44218271 573895397 /nfs/dbraw/zinc/89/53/97/573895397.db2.gz YNGKCNISJRBDOU-MNOVXSKESA-N 0 0 186.295 2.353 10 0 AEAERN FCOc1cccc2c1CCCN2 257902406 573895411 /nfs/dbraw/zinc/89/54/11/573895411.db2.gz DPQPPSZYIMVNKE-UHFFFAOYSA-N 0 0 181.210 2.351 10 0 AEAERN O=Cc1cc2ccc(O)cc2s1 76602604 573895435 /nfs/dbraw/zinc/89/54/35/573895435.db2.gz JFVKHZHRZJRELU-UHFFFAOYSA-N 0 0 178.212 2.419 10 0 AEAERN CC(C)[C@@](C)(O)C1(C)CC1 87365404 573895523 /nfs/dbraw/zinc/89/55/23/573895523.db2.gz KQNZCBDSYXNGAN-SECBINFHSA-N 0 0 142.242 2.194 10 0 AEAERN CC(C)=C[C@H]1OC(=O)N[C@@H]1C(C)C 238173818 573895557 /nfs/dbraw/zinc/89/55/57/573895557.db2.gz QHLYSLDRQRXECK-RKDXNWHRSA-N 0 0 183.251 2.086 10 0 AEAERN c1cc2c(s1)N1CCC[C@@H]1CN2 76604495 573895565 /nfs/dbraw/zinc/89/55/65/573895565.db2.gz LUNHAEAFHOXWBE-SSDOTTSWSA-N 0 0 180.276 2.142 10 0 AEAERN CC1(C)C[C@@]1(CO)c1ccc(F)cc1 258989426 573895570 /nfs/dbraw/zinc/89/55/70/573895570.db2.gz KYECTJURZLTRNV-GFCCVEGCSA-N 0 0 194.249 2.486 10 0 AEAERN C=C/C(C)=C/Cl 102297992 573895577 /nfs/dbraw/zinc/89/55/77/573895577.db2.gz ITQIRXSIZVCCPM-SNAWJCMRSA-N 0 0 102.564 2.315 10 0 AEAERN CC(C)C[C@@H](C)OCC[C@H](C)O 44222759 573895579 /nfs/dbraw/zinc/89/55/79/573895579.db2.gz SACQDHQQCYKPLV-VHSXEESVSA-N 0 0 174.284 2.209 10 0 AEAERN Cc1cc2c(cc1F)NCCCN2 76604051 573895609 /nfs/dbraw/zinc/89/56/09/573895609.db2.gz YQOCGXCMORJYRD-UHFFFAOYSA-N 0 0 180.226 2.362 10 0 AEAERN CCc1cccc(O[C@H](C)[C@@H](C)O)c1 44224191 573895789 /nfs/dbraw/zinc/89/57/89/573895789.db2.gz SPKLZIKXYKPRHI-NXEZZACHSA-N 0 0 194.274 2.397 10 0 AEAERN CC(=O)[C@H]1CC=C(OC2CC2)CC1 238174753 573895642 /nfs/dbraw/zinc/89/56/42/573895642.db2.gz LUJNERGDLLZHQE-VIFPVBQESA-N 0 0 180.247 2.438 10 0 AEAERN CC(C)Oc1ccc2nonc2c1 238174168 573895693 /nfs/dbraw/zinc/89/56/93/573895693.db2.gz OAAFYZNAJFLSSM-UHFFFAOYSA-N 0 0 178.191 2.010 10 0 AEAERN CC(C)c1cnccc1[C@@H](C)CO 238175025 573895741 /nfs/dbraw/zinc/89/57/41/573895741.db2.gz KJAWYIHMZDGUDS-VIFPVBQESA-N 0 0 179.263 2.301 10 0 AEAERN CC1(C)C=C[C@H]2C(=O)C(C)(C)[C@@H]21 238173902 573895760 /nfs/dbraw/zinc/89/57/60/573895760.db2.gz WWZNBPUZQDFLRB-SFYZADRCSA-N 0 0 164.248 2.424 10 0 AEAERN Cc1ncc(NC2CCCC2)cn1 76602321 573895808 /nfs/dbraw/zinc/89/58/08/573895808.db2.gz UFDGWPBAVOIQFT-UHFFFAOYSA-N 0 0 177.251 2.140 10 0 AEAERN CC1(C)C=Cc2cnc(Cl)nc2N1 238175032 573896705 /nfs/dbraw/zinc/89/67/05/573896705.db2.gz XFVBGHFVDINDHB-UHFFFAOYSA-N 0 0 195.653 2.347 10 0 AEAERN CC(=O)Oc1cncc(C(C)C)c1 238174839 573896722 /nfs/dbraw/zinc/89/67/22/573896722.db2.gz USGCTYFDLCIEQO-UHFFFAOYSA-N 0 0 179.219 2.130 10 0 AEAERN CC(C)(ON)c1cccc(Cl)c1 259578333 573896761 /nfs/dbraw/zinc/89/67/61/573896761.db2.gz YJVZTRICFTYPQI-UHFFFAOYSA-N 0 0 185.654 2.465 10 0 AEAERN CC1(C)C=C[C@@H]2C(=O)C(C)(C)[C@H]21 238174415 573895869 /nfs/dbraw/zinc/89/58/69/573895869.db2.gz WWZNBPUZQDFLRB-JGVFFNPUSA-N 0 0 164.248 2.424 10 0 AEAERN CC(C)[C@H]1C(=O)CC[C@@H]1C 238174239 573895896 /nfs/dbraw/zinc/89/58/96/573895896.db2.gz DIPHNTQKWNMMPU-IONNQARKSA-N 0 0 140.226 2.258 10 0 AEAERN Cc1ccc(NC2COC2)c(C)c1 76602285 573895915 /nfs/dbraw/zinc/89/59/15/573895915.db2.gz FPXWYYSSBAJMSH-UHFFFAOYSA-N 0 0 177.247 2.114 10 0 AEAERN CC1(C)C=C[C@H]2C(=O)CC[C@@H]21 238173932 573895918 /nfs/dbraw/zinc/89/59/18/573895918.db2.gz GHDATYYNXZTYPS-SFYZADRCSA-N 0 0 150.221 2.178 10 0 AEAERN CC1(C)C=C[C@]2(C)C(=O)C[C@H]12 238174101 573895946 /nfs/dbraw/zinc/89/59/46/573895946.db2.gz APBSMPNIANPYAD-XCBNKYQSSA-N 0 0 150.221 2.178 10 0 AEAERN CC(C)CC[C@H]1COCCC1=O 76598048 573895969 /nfs/dbraw/zinc/89/59/69/573895969.db2.gz MLJIHERZUMZWFD-VIFPVBQESA-N 0 0 170.252 2.028 10 0 AEAERN CC(C)Oc1ccc2nn(C)cc2c1 238174057 573895988 /nfs/dbraw/zinc/89/59/88/573895988.db2.gz PUGIQKSXIMKOBO-UHFFFAOYSA-N 0 0 190.246 2.361 10 0 AEAERN Cc1ccc2c(c1)N(C)CCCN2 76601627 573896056 /nfs/dbraw/zinc/89/60/56/573896056.db2.gz FMHJAAPIFTURHK-UHFFFAOYSA-N 0 0 176.263 2.247 10 0 AEAERN CC(C)Oc1ccc2c[nH]nc2c1 238173789 573896057 /nfs/dbraw/zinc/89/60/57/573896057.db2.gz JOMKZBRZIPVBEK-UHFFFAOYSA-N 0 0 176.219 2.350 10 0 AEAERN CC1(C)C=C[C@H]2C(=O)C(C)(C)[C@H]21 238173961 573896067 /nfs/dbraw/zinc/89/60/67/573896067.db2.gz WWZNBPUZQDFLRB-HTQZYQBOSA-N 0 0 164.248 2.424 10 0 AEAERN CC1(C)C=C[C@]2(C)C(=O)C[C@@H]12 238174169 573896083 /nfs/dbraw/zinc/89/60/83/573896083.db2.gz APBSMPNIANPYAD-XVKPBYJWSA-N 0 0 150.221 2.178 10 0 AEAERN C[C@@H]1CCc2c(C=O)cccc2O1 76601309 573896128 /nfs/dbraw/zinc/89/61/28/573896128.db2.gz TUYJHUJDKOSJMS-MRVPVSSYSA-N 0 0 176.215 2.213 10 0 AEAERN Cc1ccsc1CCN(C)C#N 259227750 573896131 /nfs/dbraw/zinc/89/61/31/573896131.db2.gz BGOBSIDRCDLDAI-UHFFFAOYSA-N 0 0 180.276 2.012 10 0 AEAERN CCc1cccc(O[C@@H](C)[C@H](C)O)c1 44224195 573896146 /nfs/dbraw/zinc/89/61/46/573896146.db2.gz SPKLZIKXYKPRHI-UWVGGRQHSA-N 0 0 194.274 2.397 10 0 AEAERN CC(=O)[C@@H]1CC23CCC(CC2)[C@@H]13 238174574 573896200 /nfs/dbraw/zinc/89/62/00/573896200.db2.gz IXGKXGSZVOTBNF-SEQHWMEXSA-N 0 0 164.248 2.402 10 0 AEAERN CC(C)=CC1=CSC=CNC1=O 238174496 573896263 /nfs/dbraw/zinc/89/62/63/573896263.db2.gz HCZSFKHVJNGZED-UHFFFAOYSA-N 0 0 181.260 2.171 10 0 AEAERN C[C@@H](O)[C@H]1Cc2c(Cl)cccc2N1 258175809 573896296 /nfs/dbraw/zinc/89/62/96/573896296.db2.gz MPUZNMHCSSOMKV-LHLIQPBNSA-N 0 0 197.665 2.057 10 0 AEAERN CCCc1ccc(CCON)cc1 84445831 573896303 /nfs/dbraw/zinc/89/63/03/573896303.db2.gz LPGGSJHGUDMBIL-UHFFFAOYSA-N 0 0 179.263 2.072 10 0 AEAERN CC1([C@](C)([NH3+])c2nccs2)CC1 87365140 573896321 /nfs/dbraw/zinc/89/63/21/573896321.db2.gz GJHUEQDGCJOUPJ-SECBINFHSA-N 0 0 182.292 2.117 10 0 AEAERN CC1(C)C=C[C@@H]2C(=O)C(C)(C)[C@@H]21 238174370 573896326 /nfs/dbraw/zinc/89/63/26/573896326.db2.gz WWZNBPUZQDFLRB-YUMQZZPRSA-N 0 0 164.248 2.424 10 0 AEAERN CC(C)Oc1ccc2c(cnn2C)c1 238173881 573896334 /nfs/dbraw/zinc/89/63/34/573896334.db2.gz AXIHXEGOCTZYBJ-UHFFFAOYSA-N 0 0 190.246 2.361 10 0 AEAERN CC1(c2ccc(Cl)nn2)CC1 87365318 573896335 /nfs/dbraw/zinc/89/63/35/573896335.db2.gz PRXTYXRMEHQIHO-UHFFFAOYSA-N 0 0 168.627 2.182 10 0 AEAERN Cc1cn(C)c2cc(CCO)ccc12 257901871 573896346 /nfs/dbraw/zinc/89/63/46/573896346.db2.gz AOVKYRHEIWGMOD-UHFFFAOYSA-N 0 0 189.258 2.022 10 0 AEAERN CC1(C)Nc2ccccc2C(=N)O1 238174345 573896374 /nfs/dbraw/zinc/89/63/74/573896374.db2.gz QHLGXWXNAKQXQK-UHFFFAOYSA-N 0 0 176.219 2.190 10 0 AEAERN CC1(C)C=C[C@@]2(C)C(=O)C[C@@H]12 238174611 573896418 /nfs/dbraw/zinc/89/64/18/573896418.db2.gz APBSMPNIANPYAD-OIBJUYFYSA-N 0 0 150.221 2.178 10 0 AEAERN Cc1csc([C@@](C)([NH3+])C2(C)CC2)n1 87365139 573896435 /nfs/dbraw/zinc/89/64/35/573896435.db2.gz UJHNBZCHVTXLFO-SNVBAGLBSA-N 0 0 196.319 2.426 10 0 AEAERN C[C@@H](n1ncc(Cl)c1N)C1(C)CC1 87363399 573896460 /nfs/dbraw/zinc/89/64/60/573896460.db2.gz TXGLOZBNXFTNTB-ZCFIWIBFSA-N 0 0 199.685 2.480 10 0 AEAERN CC(C)c1oc(N)nc1-c1cc[nH]c1 258989001 573896463 /nfs/dbraw/zinc/89/64/63/573896463.db2.gz ANOGULFICZMBGI-UHFFFAOYSA-N 0 0 191.234 2.375 10 0 AEAERN C[NH2+][C@@](C)(c1nccs1)C1(C)CC1 87365164 573896495 /nfs/dbraw/zinc/89/64/95/573896495.db2.gz KOBVFRHWLRLFQA-JTQLQIEISA-N 0 0 196.319 2.378 10 0 AEAERN CC1=N[C@@H](C(C)C)NC(C)(C)C1 238175082 573896532 /nfs/dbraw/zinc/89/65/32/573896532.db2.gz LYHLSJLBPWBGBB-SECBINFHSA-N 0 0 168.284 2.201 10 0 AEAERN CCc1cc(N(C)C)cc(C)c1N 84445086 573896611 /nfs/dbraw/zinc/89/66/11/573896611.db2.gz CULCLKSNVONWET-UHFFFAOYSA-N 0 0 178.279 2.206 10 0 AEAERN C[NH2+][C@](C)(c1nccs1)C1(C)CC1 87365163 573896619 /nfs/dbraw/zinc/89/66/19/573896619.db2.gz KOBVFRHWLRLFQA-SNVBAGLBSA-N 0 0 196.319 2.378 10 0 AEAERN CC(C)CCO[C@H]1CCCC[C@@H]1O 44218263 573896654 /nfs/dbraw/zinc/89/66/54/573896654.db2.gz YNGKCNISJRBDOU-QWRGUYRKSA-N 0 0 186.295 2.353 10 0 AEAERN Cc1[nH]c(C(C)(C)C)cc1CO 259227761 573896670 /nfs/dbraw/zinc/89/66/70/573896670.db2.gz OODACJOMBGDMTF-UHFFFAOYSA-N 0 0 167.252 2.113 10 0 AEAERN C[C@H](n1ncc(Cl)c1N)C1(C)CC1 87363396 573896674 /nfs/dbraw/zinc/89/66/74/573896674.db2.gz TXGLOZBNXFTNTB-LURJTMIESA-N 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573904486 /nfs/dbraw/zinc/90/44/86/573904486.db2.gz BXPSJRSGBJXLGV-UHFFFAOYSA-N 0 0 195.266 2.234 10 0 AEAERN Cc1csc(CC(=O)[C@H]2C[C@@H]2C)n1 87394871 573904488 /nfs/dbraw/zinc/90/44/88/573904488.db2.gz JVBHNGMWIMXNDX-XPUUQOCRSA-N 0 0 195.287 2.219 10 0 AEAERN CC(C)CCOCCC[C@H](C)O 44469685 573904495 /nfs/dbraw/zinc/90/44/95/573904495.db2.gz LQDSWBPDEXLQIZ-JTQLQIEISA-N 0 0 174.284 2.210 10 0 AEAERN CC[C@@](C)(O)Cc1nc(C)cs1 87394192 573904524 /nfs/dbraw/zinc/90/45/24/573904524.db2.gz QAFJYEMDXARUCY-SECBINFHSA-N 0 0 185.292 2.155 10 0 AEAERN Cc1csc(Cn2nccc2C)n1 87397336 573904530 /nfs/dbraw/zinc/90/45/30/573904530.db2.gz JQDLQGRSGOOBOL-UHFFFAOYSA-N 0 0 193.275 2.005 10 0 AEAERN Cc1nc(CC2(O)CCC2)sc1C 87394596 573904537 /nfs/dbraw/zinc/90/45/37/573904537.db2.gz RYMREPZBBSFKBY-UHFFFAOYSA-N 0 0 197.303 2.217 10 0 AEAERN Nc1ccc(F)cc1C[C@@H]1CCCO1 257896024 573904558 /nfs/dbraw/zinc/90/45/58/573904558.db2.gz XXNSPUHGGULIIE-JTQLQIEISA-N 0 0 195.237 2.129 10 0 AEAERN CC[C@](C)(O)Cc1nc(C)c(C)s1 87394185 573904566 /nfs/dbraw/zinc/90/45/66/573904566.db2.gz WAMVPEVITAJIPL-JTQLQIEISA-N 0 0 199.319 2.463 10 0 AEAERN CCc1c(N)ccc2cc[nH]c12 45817278 573904605 /nfs/dbraw/zinc/90/46/05/573904605.db2.gz OVBWFPUAOIOIMJ-UHFFFAOYSA-N 0 0 160.220 2.313 10 0 AEAERN Cc1csc(C[C@@](C)(O)C(C)C)n1 87394203 573904736 /nfs/dbraw/zinc/90/47/36/573904736.db2.gz RQMNMVHQOIDREM-SNVBAGLBSA-N 0 0 199.319 2.401 10 0 AEAERN CC1(C)C(=O)CCc2cocc21 238191951 573904755 /nfs/dbraw/zinc/90/47/55/573904755.db2.gz PJSBBPMTZJNXAE-UHFFFAOYSA-N 0 0 164.204 2.073 10 0 AEAERN Cc1csc(C[C@H]2CC[C@@H](O)C2)n1 87397757 573904809 /nfs/dbraw/zinc/90/48/09/573904809.db2.gz SCSBNGGETCWBCM-DTWKUNHWSA-N 0 0 197.303 2.155 10 0 AEAERN Cc1ccc2c(c1)[C@H](CON)CS2 257903598 573904874 /nfs/dbraw/zinc/90/48/74/573904874.db2.gz AUCDRJLKAUBMJN-MRVPVSSYSA-N 0 0 195.287 2.075 10 0 AEAERN CC1(C)C(=O)Cc2ccc(F)cc21 238192718 573904906 /nfs/dbraw/zinc/90/49/06/573904906.db2.gz VDSDXMPXTORVIJ-UHFFFAOYSA-N 0 0 178.206 2.229 10 0 AEAERN 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189.258 2.400 10 0 AEAERN CC1(C)C(=O)[C@H]2C=CC[C@]21C 238195174 573906908 /nfs/dbraw/zinc/90/69/08/573906908.db2.gz RBZAHFUXWVICMC-GMSGAONNSA-N 0 0 150.221 2.178 10 0 AEAERN CC[C@H]1CCCC[C@@H]1OC[C@@H](C)O 44473656 573906268 /nfs/dbraw/zinc/90/62/68/573906268.db2.gz ZVFWOSGDQQJHLQ-VWYCJHECSA-N 0 0 186.295 2.353 10 0 AEAERN CC1(C)C(=O)[C@H]2C=CC[C@@]21C 238195151 573906912 /nfs/dbraw/zinc/90/69/12/573906912.db2.gz RBZAHFUXWVICMC-XCBNKYQSSA-N 0 0 150.221 2.178 10 0 AEAERN CC1(C)C(=O)C2(CC2)C1(C)C 238191730 573906311 /nfs/dbraw/zinc/90/63/11/573906311.db2.gz JEXRODWTGNCPTL-UHFFFAOYSA-N 0 0 152.237 2.402 10 0 AEAERN CN(Cc1cc[nH]c1)CC(F)(F)F 259231948 573906376 /nfs/dbraw/zinc/90/63/76/573906376.db2.gz YLRKIGXWKXFTMX-UHFFFAOYSA-N 0 0 192.184 2.009 10 0 AEAERN Cc1cccc2c1[C@H](C(C)(C)O)CN2 258178813 573906406 /nfs/dbraw/zinc/90/64/06/573906406.db2.gz MTBQTLUEJRNXGI-SECBINFHSA-N 0 0 191.274 2.275 10 0 AEAERN [O-]c1cnn([C@@H]2CCCCS2)c1 257903972 573906441 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573906806 /nfs/dbraw/zinc/90/68/06/573906806.db2.gz ZVFWOSGDQQJHLQ-OUAUKWLOSA-N 0 0 186.295 2.353 10 0 AEAERN CSc1ccc(C)c(CCON)c1 258178982 573906832 /nfs/dbraw/zinc/90/68/32/573906832.db2.gz WIUGYGKLEJQBBW-UHFFFAOYSA-N 0 0 197.303 2.150 10 0 AEAERN CC[C@](C)(O)c1nc2ccccc2o1 102943658 573908369 /nfs/dbraw/zinc/90/83/69/573908369.db2.gz HMDBCNOTYISXGL-NSHDSACASA-N 0 0 191.230 2.445 10 0 AEAERN CC1(C)CCC(=O)CC(C)(C)O1 238193368 573908394 /nfs/dbraw/zinc/90/83/94/573908394.db2.gz HYFSYKYCHKWUSX-UHFFFAOYSA-N 0 0 170.252 2.313 10 0 AEAERN CC1(C)C(=O)[C@@H]2CCC[C@]21C 238195024 573908406 /nfs/dbraw/zinc/90/84/06/573908406.db2.gz LSJINDJGIONFFV-OIBJUYFYSA-N 0 0 152.237 2.402 10 0 AEAERN CC(C)=CCCc1cc(N)no1 45814207 573908414 /nfs/dbraw/zinc/90/84/14/573908414.db2.gz NZOCKZVCBPSGCC-UHFFFAOYSA-N 0 0 166.224 2.156 10 0 AEAERN CC[C@H](OC)C(=O)c1cccs1 131700838 573908476 /nfs/dbraw/zinc/90/84/76/573908476.db2.gz NYCUSYQGDHJQPZ-ZETCQYMHSA-N 0 0 184.260 2.356 10 0 AEAERN CCC1(C[C@H]2CCC(=O)N2)CCC1 686131788 573908515 /nfs/dbraw/zinc/90/85/15/573908515.db2.gz JZBSWGSNMQGDMQ-SECBINFHSA-N 0 0 181.279 2.235 10 0 AEAERN Cc1cccc2c1N1CCC[C@@H]1CN2 76633155 573908527 /nfs/dbraw/zinc/90/85/27/573908527.db2.gz UFKMVNHPQSVZDX-SNVBAGLBSA-N 0 0 188.274 2.389 10 0 AEAERN CC(C)CC[C@@H](NN)[C@@H]1[C@H]2CCC[C@H]21 253005931 573908556 /nfs/dbraw/zinc/90/85/56/573908556.db2.gz MSCQHSPVPBBNTI-KXNHARMFSA-N 0 0 196.338 2.301 10 0 AEAERN CC(=O)c1ccnc(OC2CCC2)c1 87400587 573908594 /nfs/dbraw/zinc/90/85/94/573908594.db2.gz KFJGLOKNEZKSKV-UHFFFAOYSA-N 0 0 191.230 2.216 10 0 AEAERN CC(=O)C[C@H]1COc2cccc(F)c21 258180064 573908630 /nfs/dbraw/zinc/90/86/30/573908630.db2.gz SQAXNGCHONUGIT-QMMMGPOBSA-N 0 0 194.205 2.281 10 0 AEAERN CCC(=O)CC1(F)CCC1 238194951 573908710 /nfs/dbraw/zinc/90/87/10/573908710.db2.gz KJFPRPWQBHDZMI-UHFFFAOYSA-N 0 0 144.189 2.248 10 0 AEAERN CCC(=O)C/C(C)=C/Cl 238194848 573908723 /nfs/dbraw/zinc/90/87/23/573908723.db2.gz XEHJCAAPJIKJKX-AATRIKPKSA-N 0 0 146.617 2.498 10 0 AEAERN 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CC1(C)C(=O)NC=Cc2ccccc21 238193854 573908908 /nfs/dbraw/zinc/90/89/08/573908908.db2.gz IKAGAKULMNUAJU-UHFFFAOYSA-N 0 0 187.242 2.065 10 0 AEAERN COCc1cc(C)c(C)cc1OC 259233270 573908935 /nfs/dbraw/zinc/90/89/35/573908935.db2.gz HJQYFQCCDBDDMS-UHFFFAOYSA-N 0 0 180.247 2.458 10 0 AEAERN CC1(C)O[C@H](c2ccccc2)[C@H]1CO 238194523 573908939 /nfs/dbraw/zinc/90/89/39/573908939.db2.gz NNMVJAQYSGBUTI-GHMZBOCLSA-N 0 0 192.258 2.145 10 0 AEAERN CC1=C(C)C(C)(C)C(CO)=C1 238194877 573908963 /nfs/dbraw/zinc/90/89/63/573908963.db2.gz PZYXKKCDNVJBIJ-UHFFFAOYSA-N 0 0 152.237 2.281 10 0 AEAERN CSc1c(N)cn(C)c1C(C)C 76629623 573908973 /nfs/dbraw/zinc/90/89/73/573908973.db2.gz APAHSLDXCUVROT-UHFFFAOYSA-N 0 0 184.308 2.453 10 0 AEAERN CCC(=O)CC1=CC[C@@H](C)O1 238195107 573908980 /nfs/dbraw/zinc/90/89/80/573908980.db2.gz XNDLLDDKYQVSHF-SSDOTTSWSA-N 0 0 154.209 2.048 10 0 AEAERN CCc1nc(C)c([C@@H](CC)CO)s1 259233535 573908985 /nfs/dbraw/zinc/90/89/85/573908985.db2.gz JHCDTJABQKLBKJ-QMMMGPOBSA-N 0 0 199.319 2.500 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/nfs/dbraw/zinc/91/06/45/573910645.db2.gz BRIFHWFXYYMGJK-SSDOTTSWSA-N 0 0 169.293 2.278 10 0 AEAERN C/C=C/C(=O)NC1CCC(C)CC1 84713061 573910652 /nfs/dbraw/zinc/91/06/52/573910652.db2.gz MBUMPIBJDSXUHZ-ONEGZZNKSA-N 0 0 181.279 2.257 10 0 AEAERN O[C@@H]1C=C2c3ccccc3CC[C@]23C[C@H]13 308780171 573909931 /nfs/dbraw/zinc/90/99/31/573909931.db2.gz JKPBVUMGZYEWTI-MCIONIFRSA-N 0 0 198.265 2.397 10 0 AEAERN Cc1ccc2c(c1)NC[C@@H]1CCCN21 76633166 573909977 /nfs/dbraw/zinc/90/99/77/573909977.db2.gz CWDBZXIJRYRJPQ-JTQLQIEISA-N 0 0 188.274 2.389 10 0 AEAERN CC(C)c1cc(N)nn1C(C)C 258521312 573909982 /nfs/dbraw/zinc/90/99/82/573909982.db2.gz MITDXYNHQJFQNL-UHFFFAOYSA-N 0 0 167.256 2.170 10 0 AEAERN Cc1ncccc1C(=O)[C@@]1(C)C[C@@H]1F 715203128 573909997 /nfs/dbraw/zinc/90/99/97/573909997.db2.gz ADGHZSUXXCXZBV-ONGXEEELSA-N 0 0 193.221 2.321 10 0 AEAERN COc1cccc([C@H](F)CCO)c1 257896778 573910000 /nfs/dbraw/zinc/91/00/00/573910000.db2.gz OHSKIXVWVHWKQJ-SNVBAGLBSA-N 0 0 184.210 2.088 10 0 AEAERN CN1c2c(F)cccc2NCC12CC2 259232592 573910034 /nfs/dbraw/zinc/91/00/34/573910034.db2.gz MPZHBVMNUSYQJR-UHFFFAOYSA-N 0 0 192.237 2.220 10 0 AEAERN OC1(C[C@@H]2CCCOC2)CCCC1 257893088 573910105 /nfs/dbraw/zinc/91/01/05/573910105.db2.gz CRHIPEVXZZXHKL-JTQLQIEISA-N 0 0 184.279 2.108 10 0 AEAERN Cc1ncccc1C(=O)[C@]1(C)C[C@H]1F 715203127 573910119 /nfs/dbraw/zinc/91/01/19/573910119.db2.gz ADGHZSUXXCXZBV-MWLCHTKSSA-N 0 0 193.221 2.321 10 0 AEAERN CC(C)(C)Cc1noc(N)c1Cl 87418692 573910121 /nfs/dbraw/zinc/91/01/21/573910121.db2.gz HQRZIWQXXUGXGV-UHFFFAOYSA-N 0 0 188.658 2.499 10 0 AEAERN CC(C)/C=C/C=C\[C@@H](C)CO 215874669 573910155 /nfs/dbraw/zinc/91/01/55/573910155.db2.gz CEMARASDYKJJBS-XCXMJLNFSA-N 0 0 154.253 2.383 10 0 AEAERN CC[C@@H](OC)C(=O)c1cccs1 131701046 573910198 /nfs/dbraw/zinc/91/01/98/573910198.db2.gz NYCUSYQGDHJQPZ-SSDOTTSWSA-N 0 0 184.260 2.356 10 0 AEAERN Cc1ncccc1C(=O)[C@]1(C)C[C@@H]1F 715203124 573910200 /nfs/dbraw/zinc/91/02/00/573910200.db2.gz ADGHZSUXXCXZBV-GXSJLCMTSA-N 0 0 193.221 2.321 10 0 AEAERN CC(=O)c1ccnc(OC(C)C)c1 87400558 573910232 /nfs/dbraw/zinc/91/02/32/573910232.db2.gz RPIAVQFJBZAPAT-UHFFFAOYSA-N 0 0 179.219 2.071 10 0 AEAERN CCN(CC)c1ccc(C[NH3+])s1 76629619 573910236 /nfs/dbraw/zinc/91/02/36/573910236.db2.gz FVDKIVMVUCEPET-UHFFFAOYSA-N 0 0 184.308 2.053 10 0 AEAERN Cc1ncccc1CC[C@@H](O)C1CC1 308462395 573910262 /nfs/dbraw/zinc/91/02/62/573910262.db2.gz GBMWCKRUYGVXLZ-GFCCVEGCSA-N 0 0 191.274 2.094 10 0 AEAERN CC[C@@H]1CCCC[C@H]1OC[C@@H](C)O 44473659 573910354 /nfs/dbraw/zinc/91/03/54/573910354.db2.gz ZVFWOSGDQQJHLQ-GMTAPVOTSA-N 0 0 186.295 2.353 10 0 AEAERN Clc1ncc(C2CCOCC2)o1 258453562 573910372 /nfs/dbraw/zinc/91/03/72/573910372.db2.gz GLBXAVAGDLTVFP-UHFFFAOYSA-N 0 0 187.626 2.222 10 0 AEAERN COc1ccc(F)c(C2(O)CC2)c1C 258179096 573910412 /nfs/dbraw/zinc/91/04/12/573910412.db2.gz WLOHOSGIKPMIOL-UHFFFAOYSA-N 0 0 196.221 2.124 10 0 AEAERN CCC[C@H](C)CC(=O)[C@H]1C[C@@H]1OC 690009752 573910454 /nfs/dbraw/zinc/91/04/54/573910454.db2.gz 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/nfs/dbraw/zinc/91/05/71/573910571.db2.gz AJQONUHABLPGEI-LLVKDONJSA-N 0 0 191.205 2.236 10 0 AEAERN Cc1c(-c2ccc(C=O)o2)ccn1C 76633382 573910583 /nfs/dbraw/zinc/91/05/83/573910583.db2.gz GUVSDNRIPVMKTH-UHFFFAOYSA-N 0 0 189.214 2.406 10 0 AEAERN COC(=O)[C@]1(CC(C)C)C[C@H]1C 259001566 573910624 /nfs/dbraw/zinc/91/06/24/573910624.db2.gz MXGKUHHPLIBZGN-PSASIEDQSA-N 0 0 170.252 2.232 10 0 AEAERN C[C@@H](O)Cc1coc(CC(C)(C)C)n1 257896613 573910761 /nfs/dbraw/zinc/91/07/61/573910761.db2.gz BMPPVJFZZZAFJU-MRVPVSSYSA-N 0 0 197.278 2.187 10 0 AEAERN CCC1CCC(O)([C@@H]2CCOC2)CC1 84686669 573910786 /nfs/dbraw/zinc/91/07/86/573910786.db2.gz HIRAYYYBLZEGLM-MOENNCHZSA-N 0 0 198.306 2.354 10 0 AEAERN CCOc1ccc(-n2cccc2)cn1 87400075 573910841 /nfs/dbraw/zinc/91/08/41/573910841.db2.gz POQMXDCSOKNIGU-UHFFFAOYSA-N 0 0 188.230 2.271 10 0 AEAERN CC(C)CC[C@H](NN)[C@@H]1[C@H]2CCC[C@H]21 253005932 573910868 /nfs/dbraw/zinc/91/08/68/573910868.db2.gz MSCQHSPVPBBNTI-WHOHXGKFSA-N 0 0 196.338 2.301 10 0 AEAERN CC(C)Cc1cc2c([nH]1)CCOC2 238183044 573911531 /nfs/dbraw/zinc/91/15/31/573911531.db2.gz KCUFUECZOUSPBX-UHFFFAOYSA-N 0 0 179.263 2.286 10 0 AEAERN Cc1ccc(OC/C=C/Cl)c(N)n1 235792581 573910979 /nfs/dbraw/zinc/91/09/79/573910979.db2.gz LTSQVKNFVNUNNQ-GORDUTHDSA-N 0 0 198.653 2.104 10 0 AEAERN CSc1cc(C(C)=O)ccn1 87400623 573911017 /nfs/dbraw/zinc/91/10/17/573911017.db2.gz LVBHJRSVBGSBQI-UHFFFAOYSA-N 0 0 167.233 2.006 10 0 AEAERN CC[C@@H]1CCCC[C@@H]1OC[C@@H](C)O 44473653 573911024 /nfs/dbraw/zinc/91/10/24/573911024.db2.gz ZVFWOSGDQQJHLQ-MXWKQRLJSA-N 0 0 186.295 2.353 10 0 AEAERN Cc1ccc2c(c1)N1CCC[C@H]1CN2 76633161 573911032 /nfs/dbraw/zinc/91/10/32/573911032.db2.gz LHAQUDBNFJAFGK-JTQLQIEISA-N 0 0 188.274 2.389 10 0 AEAERN Clc1nc(Cc2ccco2)c[nH]1 258456102 573911048 /nfs/dbraw/zinc/91/10/48/573911048.db2.gz GPGORRIZDMVJPP-UHFFFAOYSA-N 0 0 182.610 2.247 10 0 AEAERN C/C=C/C(=O)Nc1ccc(Cl)cn1 84679432 573911099 /nfs/dbraw/zinc/91/10/99/573911099.db2.gz JRXMDIRXWODXAL-NSCUHMNNSA-N 0 0 196.637 2.250 10 0 AEAERN COc1cccc([C@@H](F)CCO)c1 257896776 573911152 /nfs/dbraw/zinc/91/11/52/573911152.db2.gz OHSKIXVWVHWKQJ-JTQLQIEISA-N 0 0 184.210 2.088 10 0 AEAERN Cc1ccc2c(c1)N1CCC[C@@H]1CN2 76633160 573911179 /nfs/dbraw/zinc/91/11/79/573911179.db2.gz LHAQUDBNFJAFGK-SNVBAGLBSA-N 0 0 188.274 2.389 10 0 AEAERN O[C@@H](c1ccc(F)cc1)c1ccc[nH]1 84717807 573911224 /nfs/dbraw/zinc/91/12/24/573911224.db2.gz AJQONUHABLPGEI-NSHDSACASA-N 0 0 191.205 2.236 10 0 AEAERN Cc1noc2ccc(C(C)(C)O)cc12 258179115 573911255 /nfs/dbraw/zinc/91/12/55/573911255.db2.gz WLUAZNYRRWRQEC-UHFFFAOYSA-N 0 0 191.230 2.364 10 0 AEAERN CCOc1cccc(N[C@@H]2C[C@@H]2C)n1 84687006 573911274 /nfs/dbraw/zinc/91/12/74/573911274.db2.gz ONEYMUPDWKVCNF-DTWKUNHWSA-N 0 0 192.262 2.301 10 0 AEAERN CC1=C[C@H]2CCC(=O)[C@@H](C1)C2 238183363 573911317 /nfs/dbraw/zinc/91/13/17/573911317.db2.gz AXCVXPBNODYDBW-BDAKNGLRSA-N 0 0 150.221 2.322 10 0 AEAERN Cc1c2cc(Cl)c(N)cc2nn1C 259584713 573911376 /nfs/dbraw/zinc/91/13/76/573911376.db2.gz XUIKCABBPHZFDA-UHFFFAOYSA-N 0 0 195.653 2.117 10 0 AEAERN Cc1ncccc1CC[C@H](O)C1CC1 308462396 573911420 /nfs/dbraw/zinc/91/14/20/573911420.db2.gz GBMWCKRUYGVXLZ-LBPRGKRZSA-N 0 0 191.274 2.094 10 0 AEAERN Cc1ncccc1C(=O)[C@@]1(C)C[C@H]1F 715203126 573911475 /nfs/dbraw/zinc/91/14/75/573911475.db2.gz ADGHZSUXXCXZBV-KOLCDFICSA-N 0 0 193.221 2.321 10 0 AEAERN CCOCc1cc2c(N)cccc2[nH]1 257897691 573913509 /nfs/dbraw/zinc/91/35/09/573913509.db2.gz AOWCHQBCANUKCZ-UHFFFAOYSA-N 0 0 190.246 2.287 10 0 AEAERN Cc1cccc(NC=O)c1Cl 80816472 573913548 /nfs/dbraw/zinc/91/35/48/573913548.db2.gz NZNABXVYYWRZDR-UHFFFAOYSA-N 0 0 169.611 2.217 10 0 AEAERN Cc1ccsc1C(=O)[C@@H](O)C1CC1 235791904 573912797 /nfs/dbraw/zinc/91/27/97/573912797.db2.gz NTZLYOYRWHCMDP-QMMMGPOBSA-N 0 0 196.271 2.010 10 0 AEAERN CCOc1cccc(N[C@H]2C[C@H]2C)n1 84687009 573912808 /nfs/dbraw/zinc/91/28/08/573912808.db2.gz ONEYMUPDWKVCNF-BDAKNGLRSA-N 0 0 192.262 2.301 10 0 AEAERN O=C1N=C(c2cccc(O)c2)CS1 257898203 573912809 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AEAERN O[C@H](Cc1c(F)cccc1F)C1CC1 87447695 573921054 /nfs/dbraw/zinc/92/10/54/573921054.db2.gz KWPLMKUZPSOQGZ-LLVKDONJSA-N 0 0 198.212 2.278 10 0 AEAERN CCCC(=O)N[C@@H]1CC[C@@H](C)[C@@H]1C 84876954 573922064 /nfs/dbraw/zinc/92/20/64/573922064.db2.gz GAEOXVCCXMNROF-KXUCPTDWSA-N 0 0 183.295 2.337 10 0 AEAERN CC(=O)C1CC(C)(OC(C)C)C1 238185739 573922100 /nfs/dbraw/zinc/92/21/00/573922100.db2.gz WDIWTLDYDSYCCU-UHFFFAOYSA-N 0 0 170.252 2.169 10 0 AEAERN CC1(C)CC(=S)NC(=S)C1 238186359 573922116 /nfs/dbraw/zinc/92/21/16/573922116.db2.gz YBNIGXHBMXSFBD-UHFFFAOYSA-N 0 0 173.306 2.051 10 0 AEAERN CC[C@H](O)Cc1c(F)cccc1F 87447712 573922129 /nfs/dbraw/zinc/92/21/29/573922129.db2.gz AWPBTJILZAVVKR-ZETCQYMHSA-N 0 0 186.201 2.278 10 0 AEAERN C[C@H](CC(=O)[O-])[C@@H]([NH3+])C1CCCCC1 259238884 573922224 /nfs/dbraw/zinc/92/22/24/573922224.db2.gz HQTFJQDQXHOCHR-LDYMZIIASA-N 0 0 199.294 2.005 10 0 AEAERN C=C=C(CO)CCCCC 238186376 573922227 /nfs/dbraw/zinc/92/22/27/573922227.db2.gz PNAMDQDHMVBGKE-UHFFFAOYSA-N 0 0 140.226 2.270 10 0 AEAERN CC1(C)O[C@@H](c2ccccc2)[C@@H]1CO 238186703 573922350 /nfs/dbraw/zinc/92/23/50/573922350.db2.gz NNMVJAQYSGBUTI-QWRGUYRKSA-N 0 0 192.258 2.145 10 0 AEAERN CC1=Cc2ccoc2C=C(C)[C@@H]1O 238186690 573922388 /nfs/dbraw/zinc/92/23/88/573922388.db2.gz SFYGEJUGTUXXAF-LLVKDONJSA-N 0 0 176.215 2.461 10 0 AEAERN O=C1CC[C@H](OCCC(F)(F)F)C1 131678588 573922401 /nfs/dbraw/zinc/92/24/01/573922401.db2.gz POWGDMDRBRLCBT-ZETCQYMHSA-N 0 0 196.168 2.077 10 0 AEAERN CCCOC[C@H](O)C1CCCCC1 44653191 573922403 /nfs/dbraw/zinc/92/24/03/573922403.db2.gz ARZDPIPWTDOMHH-NSHDSACASA-N 0 0 186.295 2.354 10 0 AEAERN CC1=Cc2ccoc2C=C(C)[C@H]1O 238186714 573922434 /nfs/dbraw/zinc/92/24/34/573922434.db2.gz SFYGEJUGTUXXAF-NSHDSACASA-N 0 0 176.215 2.461 10 0 AEAERN C[C@@H](NC1C2(CC2)C12CC2)C(F)F 715373440 573922474 /nfs/dbraw/zinc/92/24/74/573922474.db2.gz YFFUPTQNYRPONA-ZCFIWIBFSA-N 0 0 187.233 2.172 10 0 AEAERN Oc1cccc([C@H](F)[C@@H]2CCOC2)c1 258182541 573922479 /nfs/dbraw/zinc/92/24/79/573922479.db2.gz VGQWQEDYNNHQER-KOLCDFICSA-N 0 0 196.221 2.439 10 0 AEAERN Cc1nn(C)cc1N[C@@H]1C=CCCC1 235805068 573922493 /nfs/dbraw/zinc/92/24/93/573922493.db2.gz YRHBYZFIZWWJTM-SNVBAGLBSA-N 0 0 191.278 2.249 10 0 AEAERN CC[C@H](C)OCn1cccc1C(C)=O 308463742 573922514 /nfs/dbraw/zinc/92/25/14/573922514.db2.gz GLJJRZISRIZASR-VIFPVBQESA-N 0 0 195.262 2.463 10 0 AEAERN CC(C)(C)c1n[nH]c2cccc(N)c12 257900250 573922605 /nfs/dbraw/zinc/92/26/05/573922605.db2.gz YPKHZWMAONSWFS-UHFFFAOYSA-N 0 0 189.262 2.443 10 0 AEAERN COCc1cc(C(C)=O)ccc1F 258181989 573922616 /nfs/dbraw/zinc/92/26/16/573922616.db2.gz WSDJKUULFXOODC-UHFFFAOYSA-N 0 0 182.194 2.175 10 0 AEAERN C[C@@]1(c2cc(N)on2)CCCCS1 258182283 573922674 /nfs/dbraw/zinc/92/26/74/573922674.db2.gz VDJYFYPGMURXGA-VIFPVBQESA-N 0 0 198.291 2.389 10 0 AEAERN CC(=O)c1ccc2c(c1)[C@H](C)CN2 257900561 573922680 /nfs/dbraw/zinc/92/26/80/573922680.db2.gz AODLUQARCAXBNQ-SSDOTTSWSA-N 0 0 175.231 2.418 10 0 AEAERN NOCc1ccccc1SC1CC1 258181819 573922835 /nfs/dbraw/zinc/92/28/35/573922835.db2.gz WPYWXUVOSGKSDC-UHFFFAOYSA-N 0 0 195.287 2.331 10 0 AEAERN C[C@@H](CC(=O)[O-])[C@@H]([NH3+])C1CCCCC1 259238875 573922853 /nfs/dbraw/zinc/92/28/53/573922853.db2.gz HQTFJQDQXHOCHR-GZMMTYOYSA-N 0 0 199.294 2.005 10 0 AEAERN Cc1cccc(-c2coc(CN)n2)c1 257900255 573922859 /nfs/dbraw/zinc/92/28/59/573922859.db2.gz YPKIBVLNGDWBGD-UHFFFAOYSA-N 0 0 188.230 2.109 10 0 AEAERN CCCOC[C@@H](O)Cc1ccccc1 44653219 573922906 /nfs/dbraw/zinc/92/29/06/573922906.db2.gz HRSWZJOETWXVCQ-LBPRGKRZSA-N 0 0 194.274 2.017 10 0 AEAERN C[C@@H](/C=C/CCO)Nc1ccccc1 215936663 573922907 /nfs/dbraw/zinc/92/29/07/573922907.db2.gz XWMKGVMNMBPHEW-ZRQQLDRUSA-N 0 0 191.274 2.426 10 0 AEAERN C[C@@H](Cc1cccc(Cl)c1)NC=O 84889014 573923489 /nfs/dbraw/zinc/92/34/89/573923489.db2.gz DDHBRKZXASXKGX-QMMMGPOBSA-N 0 0 197.665 2.017 10 0 AEAERN Cc1nc(-c2ccncc2)c(N)s1 84855857 573923551 /nfs/dbraw/zinc/92/35/51/573923551.db2.gz LVBCYQOOMCUYCF-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN CCOC(=O)N1[C@@H](CC)CC[C@H]1C 127572253 573923570 /nfs/dbraw/zinc/92/35/70/573923570.db2.gz IQFFUKSESGLPBB-BDAKNGLRSA-N 0 0 185.267 2.406 10 0 AEAERN CCCC[C@H](C(=O)[O-])[N@H+](C)C1CCC1 127583035 573923642 /nfs/dbraw/zinc/92/36/42/573923642.db2.gz JDBNYWOKXCNIBB-SNVBAGLBSA-N 0 0 199.294 2.114 10 0 AEAERN OC1(Cc2c(F)cccc2F)CC1 87447577 573923653 /nfs/dbraw/zinc/92/36/53/573923653.db2.gz GRKOZBQGWNHCAR-UHFFFAOYSA-N 0 0 184.185 2.032 10 0 AEAERN COc1ccc2c(c1)CCC[C@H]2CO 84887935 573923656 /nfs/dbraw/zinc/92/36/56/573923656.db2.gz XIUPSFXOAZIPQT-JTQLQIEISA-N 0 0 192.258 2.107 10 0 AEAERN Oc1cccc([C@H](F)[C@H]2CCOC2)c1 258182551 573923665 /nfs/dbraw/zinc/92/36/65/573923665.db2.gz VGQWQEDYNNHQER-ONGXEEELSA-N 0 0 196.221 2.439 10 0 AEAERN c1cc2c[nH]nc2cc1OC1CC1 223566113 573923745 /nfs/dbraw/zinc/92/37/45/573923745.db2.gz JPFQTMWFCIGPCA-UHFFFAOYSA-N 0 0 174.203 2.104 10 0 AEAERN OC/C=C/c1c(F)cccc1Cl 84887987 573923798 /nfs/dbraw/zinc/92/37/98/573923798.db2.gz JJFJKBQGKJXERT-NSCUHMNNSA-N 0 0 186.613 2.485 10 0 AEAERN CC(=O)Cc1ccc2c(c1)NC[C@@H]2C 258182210 573923819 /nfs/dbraw/zinc/92/38/19/573923819.db2.gz SRLFKAUTHSJVIA-QMMMGPOBSA-N 0 0 189.258 2.347 10 0 AEAERN CCCNc1ccc(O)c(F)c1 84844315 573923827 /nfs/dbraw/zinc/92/38/27/573923827.db2.gz RUSLNLRTKUNKOO-UHFFFAOYSA-N 0 0 169.199 2.353 10 0 AEAERN CC(C)C(=O)COCCC(F)(F)F 131674579 573923840 /nfs/dbraw/zinc/92/38/40/573923840.db2.gz YVUGJLXKYYCYCM-UHFFFAOYSA-N 0 0 198.184 2.181 10 0 AEAERN CC(C)[C@@H]1Cc2ccc(O)cc2O1 238187740 573923928 /nfs/dbraw/zinc/92/39/28/573923928.db2.gz WAVMKMUBJNQJJV-JTQLQIEISA-N 0 0 178.231 2.352 10 0 AEAERN Cc1cccn2c(CC(C)C)nnc12 258458426 573923978 /nfs/dbraw/zinc/92/39/78/573923978.db2.gz XGONLSAHFNOIIO-UHFFFAOYSA-N 0 0 189.262 2.236 10 0 AEAERN CCCOC[C@@H](O)C1CCCCC1 44653194 573923994 /nfs/dbraw/zinc/92/39/94/573923994.db2.gz ARZDPIPWTDOMHH-LLVKDONJSA-N 0 0 186.295 2.354 10 0 AEAERN Cc1cc(C)cc(C(=O)C(C)(C)O)c1 235805111 573924030 /nfs/dbraw/zinc/92/40/30/573924030.db2.gz FMGGXEXCVKFWTP-UHFFFAOYSA-N 0 0 192.258 2.257 10 0 AEAERN CCc1nc([C@@H]2C[C@H]3CC[C@@H]2C3)n[nH]1 42175612 573924072 /nfs/dbraw/zinc/92/40/72/573924072.db2.gz FJCYVOUBLLEXEA-DJLDLDEBSA-N 0 0 191.278 2.271 10 0 AEAERN CCOC(=O)N1[C@H](C)CC[C@H]1CC 127572037 573924075 /nfs/dbraw/zinc/92/40/75/573924075.db2.gz IQFFUKSESGLPBB-RKDXNWHRSA-N 0 0 185.267 2.406 10 0 AEAERN O=C1CC[C@@H](OCCC(F)(F)F)C1 131678371 573924102 /nfs/dbraw/zinc/92/41/02/573924102.db2.gz POWGDMDRBRLCBT-SSDOTTSWSA-N 0 0 196.168 2.077 10 0 AEAERN COCCCCNc1cccc(N)c1 44656897 573924104 /nfs/dbraw/zinc/92/41/04/573924104.db2.gz NXTCSGRYCZAOJU-UHFFFAOYSA-N 0 0 194.278 2.107 10 0 AEAERN CC(=O)C[C@@H](C)OCCC(F)(F)F 131677343 573924115 /nfs/dbraw/zinc/92/41/15/573924115.db2.gz NXIWGMCIRUBPJC-SSDOTTSWSA-N 0 0 198.184 2.323 10 0 AEAERN CC(C)[C@@H]1Cc2c(O)cccc2O1 238187591 573926443 /nfs/dbraw/zinc/92/64/43/573926443.db2.gz JVIFYIGHYHNYTA-NSHDSACASA-N 0 0 178.231 2.352 10 0 AEAERN CC1=NC(=O)N[C@@H](c2ccccc2)C1 238187195 573926454 /nfs/dbraw/zinc/92/64/54/573926454.db2.gz JXBFUJDUQYTFQH-SNVBAGLBSA-N 0 0 188.230 2.302 10 0 AEAERN O=c1[nH]cc(-c2ccc(F)cc2F)[nH]1 259011544 573924265 /nfs/dbraw/zinc/92/42/65/573924265.db2.gz DHELEROKCBFLGL-UHFFFAOYSA-N 0 0 196.156 2.061 10 0 AEAERN CC(C)CNc1ccc(N)c(F)c1 259010847 573924279 /nfs/dbraw/zinc/92/42/79/573924279.db2.gz RCDWNOFZCSVKBG-UHFFFAOYSA-N 0 0 182.242 2.476 10 0 AEAERN CC(C)[C@H]1C2CCC(CC2)[C@@H]1C(N)=O 238187669 573923455 /nfs/dbraw/zinc/92/34/55/573923455.db2.gz VRPUEXQBTJSJEJ-TVUZUIDESA-N 0 0 195.306 2.180 10 0 AEAERN Cc1ccnc(NC[C@@H](C)C(C)C)n1 81070266 573930613 /nfs/dbraw/zinc/93/06/13/573930613.db2.gz HCZKAAKFKWRTSB-SECBINFHSA-N 0 0 193.294 2.489 10 0 AEAERN COc1cnn(CC(C)C)c1Cl 258521745 573930667 /nfs/dbraw/zinc/93/06/67/573930667.db2.gz NEJFXRCALVTTPO-UHFFFAOYSA-N 0 0 188.658 2.201 10 0 AEAERN CC1(C)CCCC(C)(C)[C@@H](O)C1=O 238200004 573929934 /nfs/dbraw/zinc/92/99/34/573929934.db2.gz YMVOVABIDBYTHQ-QMMMGPOBSA-N 0 0 184.279 2.153 10 0 AEAERN CC(C)[C@@H](C)CNc1nncs1 81070225 573929977 /nfs/dbraw/zinc/92/99/77/573929977.db2.gz GZKOHHFLGVRLRI-ZETCQYMHSA-N 0 0 185.296 2.242 10 0 AEAERN COc1nc(-c2ccccc2)c(C)[nH]1 258521659 573930020 /nfs/dbraw/zinc/93/00/20/573930020.db2.gz HHPUNHZCNIZGEI-UHFFFAOYSA-N 0 0 188.230 2.394 10 0 AEAERN O=C(Cc1c(F)cccc1F)C1CC1 84932080 573930051 /nfs/dbraw/zinc/93/00/51/573930051.db2.gz YKTWSXBBUHWNPZ-UHFFFAOYSA-N 0 0 196.196 2.486 10 0 AEAERN CC(C)[C@H]1NCc2sccc2C1=O 238199674 573930129 /nfs/dbraw/zinc/93/01/29/573930129.db2.gz KNIRYQYBEJCSIZ-SECBINFHSA-N 0 0 195.287 2.059 10 0 AEAERN Cc1nnc(C2CCC2)c(Cl)n1 259016018 573930148 /nfs/dbraw/zinc/93/01/48/573930148.db2.gz ACFCRQXJRNYYSZ-UHFFFAOYSA-N 0 0 183.642 2.101 10 0 AEAERN CC1=C(C)C[C@](O)(CCCO)CC1 238199351 573930149 /nfs/dbraw/zinc/93/01/49/573930149.db2.gz IZVFFPVTUJDPFH-NSHDSACASA-N 0 0 184.279 2.010 10 0 AEAERN CC[C@@H](CO)CN(C)c1cccs1 259015694 573930183 /nfs/dbraw/zinc/93/01/83/573930183.db2.gz PCTHWPGPBMVAHN-SECBINFHSA-N 0 0 199.319 2.203 10 0 AEAERN CC1(C)CC(=O)C[C@@]2(CCC[C@@H]2O)C1 238199514 573930233 /nfs/dbraw/zinc/93/02/33/573930233.db2.gz UEMSKQNGZCDNCP-JQWIXIFHSA-N 0 0 196.290 2.297 10 0 AEAERN CC1=C(C)[C@@H](O)CCCC1 238200142 573930282 /nfs/dbraw/zinc/93/02/82/573930282.db2.gz KKVBTFCDGYAWSU-VIFPVBQESA-N 0 0 140.226 2.258 10 0 AEAERN CC(C)(C)c1ccnc(C(C)(C)O)n1 259015463 573930330 /nfs/dbraw/zinc/93/03/30/573930330.db2.gz FPCAHILJPZKZAX-UHFFFAOYSA-N 0 0 194.278 2.002 10 0 AEAERN CCC(C)(C)C(=O)N[C@H]1CC12CC2 335143714 573930365 /nfs/dbraw/zinc/93/03/65/573930365.db2.gz VJGCMNPCOHYGRR-QMMMGPOBSA-N 0 0 181.279 2.091 10 0 AEAERN CC(C)N1Cc2cccc(F)c2C1=O 238200388 573930366 /nfs/dbraw/zinc/93/03/66/573930366.db2.gz YBFJFQKGOWBRAM-UHFFFAOYSA-N 0 0 193.221 2.190 10 0 AEAERN CCC(=O)CNc1ccc(C)cc1 238199407 573930417 /nfs/dbraw/zinc/93/04/17/573930417.db2.gz FCVZRZMMKVDTGE-UHFFFAOYSA-N 0 0 177.247 2.386 10 0 AEAERN CNc1nc(-c2ccc[nH]2)c(C)o1 259015862 573930466 /nfs/dbraw/zinc/93/04/66/573930466.db2.gz CORGGFZFTVEUOB-UHFFFAOYSA-N 0 0 177.207 2.020 10 0 AEAERN CO[C@@H]1C[C@@H]1[C@H](O)c1sccc1C 690075831 573930523 /nfs/dbraw/zinc/93/05/23/573930523.db2.gz NSBXNTFROHADAL-YIZRAAEISA-N 0 0 198.287 2.125 10 0 AEAERN CCc1c[nH]c(=O)c2ccc(N)cc12 257908131 573930559 /nfs/dbraw/zinc/93/05/59/573930559.db2.gz ADARGZFVKUUBEL-UHFFFAOYSA-N 0 0 188.230 2.085 10 0 AEAERN C[C@@H]1Nc2ccccc2O[C@@H]1C 87503797 573930593 /nfs/dbraw/zinc/93/05/93/573930593.db2.gz PEMYOHGTXJAAGK-JGVFFNPUSA-N 0 0 163.220 2.268 10 0 AEAERN CSCC[C@@H](O)c1ccc(C)o1 259015805 573931851 /nfs/dbraw/zinc/93/18/51/573931851.db2.gz CNNVTMCUMFFRAD-MRVPVSSYSA-N 0 0 186.276 2.375 10 0 AEAERN COC(=O)CC[C@@H]1CS[C@@H](C)C1 259584916 573932615 /nfs/dbraw/zinc/93/26/15/573932615.db2.gz KRNIZPABHZQBSR-YUMQZZPRSA-N 0 0 188.292 2.081 10 0 AEAERN Cc1ncc(-c2cccs2)c(=O)[nH]1 257904466 573932620 /nfs/dbraw/zinc/93/26/20/573932620.db2.gz AUCBMQWMGOIVFK-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN CC(C)(O)c1cc2c(O)cccc2o1 238196333 573931939 /nfs/dbraw/zinc/93/19/39/573931939.db2.gz OFPWVNSWFRTMCF-UHFFFAOYSA-N 0 0 192.214 2.366 10 0 AEAERN CCCC[S@@](=O)c1ccc(N)cc1 42197090 573931958 /nfs/dbraw/zinc/93/19/58/573931958.db2.gz PCJCEUQTJBKDGH-ZDUSSCGKSA-N 0 0 197.303 2.177 10 0 AEAERN CC[C@H](C)C(=O)C[N@H+](C)C1CCC1 127635061 573931960 /nfs/dbraw/zinc/93/19/60/573931960.db2.gz PSDBYBFLZDATFF-VIFPVBQESA-N 0 0 183.295 2.086 10 0 AEAERN CCN1CCc2c([C@@H](C)O)cccc21 257904796 573931987 /nfs/dbraw/zinc/93/19/87/573931987.db2.gz MTSZHYDLSGBCLQ-SECBINFHSA-N 0 0 191.274 2.122 10 0 AEAERN C[C@H]1CCCc2c(Cl)ncn21 258462528 573931994 /nfs/dbraw/zinc/93/19/94/573931994.db2.gz XYWVINGVKJDMRD-LURJTMIESA-N 0 0 170.643 2.434 10 0 AEAERN C[C@@H]1Oc2ccc(F)cc2N[C@@H]1C 87505020 573931998 /nfs/dbraw/zinc/93/19/98/573931998.db2.gz NOALGOVFRGFVJS-RQJHMYQMSA-N 0 0 181.210 2.407 10 0 AEAERN Cc1ccc(F)cc1/C=C/CO 235813982 573932051 /nfs/dbraw/zinc/93/20/51/573932051.db2.gz SNCUZZMWCPHJKQ-NSCUHMNNSA-N 0 0 166.195 2.140 10 0 AEAERN Cc1cccc([C@@]2(CO)C[C@H]2C)c1 259015163 573932079 /nfs/dbraw/zinc/93/20/79/573932079.db2.gz OTVUSUFDTPXHQO-ZYHUDNBSSA-N 0 0 176.259 2.265 10 0 AEAERN CCN1CCc2c([C@H](C)O)cccc21 257904797 573932104 /nfs/dbraw/zinc/93/21/04/573932104.db2.gz MTSZHYDLSGBCLQ-VIFPVBQESA-N 0 0 191.274 2.122 10 0 AEAERN C[C@@H]1Oc2cc(F)ccc2N[C@@H]1C 87504866 573932182 /nfs/dbraw/zinc/93/21/82/573932182.db2.gz RSNHCUAOYHJWND-RQJHMYQMSA-N 0 0 181.210 2.407 10 0 AEAERN COCc1cc2cccc(O)c2n1C 257905230 573932187 /nfs/dbraw/zinc/93/21/87/573932187.db2.gz OUKCELVKMRNIKY-UHFFFAOYSA-N 0 0 191.230 2.030 10 0 AEAERN CC1=C(C)C[C@@H](CCC(N)=O)CC1 238196893 573932222 /nfs/dbraw/zinc/93/22/22/573932222.db2.gz JEHURLCHWDPRNQ-SNVBAGLBSA-N 0 0 181.279 2.388 10 0 AEAERN C[C@@H]1Nc2cc(F)ccc2O[C@H]1C 87505023 573932296 /nfs/dbraw/zinc/93/22/96/573932296.db2.gz NOALGOVFRGFVJS-BQBZGAKWSA-N 0 0 181.210 2.407 10 0 AEAERN CC[C@@H](C)C(=O)C[N@H+](C)C1CCC1 127634849 573932320 /nfs/dbraw/zinc/93/23/20/573932320.db2.gz PSDBYBFLZDATFF-SECBINFHSA-N 0 0 183.295 2.086 10 0 AEAERN CC(C)(C)[C@H]1CC=C(NC=O)CC1 81166138 573932408 /nfs/dbraw/zinc/93/24/08/573932408.db2.gz IVPJMHMALKIYQQ-VIFPVBQESA-N 0 0 181.279 2.463 10 0 AEAERN CO[C@@H]1C[C@@H]1[C@@H](O)c1sccc1C 690075627 573932457 /nfs/dbraw/zinc/93/24/57/573932457.db2.gz NSBXNTFROHADAL-DJLDLDEBSA-N 0 0 198.287 2.125 10 0 AEAERN COC(=O)CC[C@@H]1CS[C@H](C)C1 259584912 573932485 /nfs/dbraw/zinc/93/24/85/573932485.db2.gz KRNIZPABHZQBSR-SFYZADRCSA-N 0 0 188.292 2.081 10 0 AEAERN Clc1ncnnc1-c1cccs1 259242555 573932565 /nfs/dbraw/zinc/93/25/65/573932565.db2.gz PHHXNCISASYJRC-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN C=CC1=C[C@@H](O)C(C)(C)CC1 238196404 573932569 /nfs/dbraw/zinc/93/25/69/573932569.db2.gz UIBLKRZDIDOCNI-SECBINFHSA-N 0 0 152.237 2.280 10 0 AEAERN CCOC(=O)[C@@H]1CCCC[C@@H]1F 259584868 573932585 /nfs/dbraw/zinc/93/25/85/573932585.db2.gz 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/nfs/dbraw/zinc/93/31/04/573933104.db2.gz PEMYOHGTXJAAGK-SFYZADRCSA-N 0 0 163.220 2.268 10 0 AEAERN C[C@H](CO)c1cccc2c1ccn2C 257904826 573933147 /nfs/dbraw/zinc/93/31/47/573933147.db2.gz MUMBEQOKZYTHPZ-SECBINFHSA-N 0 0 189.258 2.274 10 0 AEAERN C[C@@H]1CCn2nc(C3CCC3)nc2C1 258183741 573933149 /nfs/dbraw/zinc/93/31/49/573933149.db2.gz FGMHRWPHWWPMFT-MRVPVSSYSA-N 0 0 191.278 2.128 10 0 AEAERN Nc1cc2c(s1)CSCC2 110288954 573933175 /nfs/dbraw/zinc/93/31/75/573933175.db2.gz PCABDPPUBHAZKP-UHFFFAOYSA-N 0 0 171.290 2.120 10 0 AEAERN C[C@H]1Nc2ccc(F)cc2O[C@@H]1C 87504871 573933210 /nfs/dbraw/zinc/93/32/10/573933210.db2.gz RSNHCUAOYHJWND-RNFRBKRXSA-N 0 0 181.210 2.407 10 0 AEAERN CNc1cccc(NC2CC2)c1 259243700 573933239 /nfs/dbraw/zinc/93/32/39/573933239.db2.gz LWUAIRNYTOJTOH-UHFFFAOYSA-N 0 0 162.236 2.303 10 0 AEAERN CC1(C)C2CCC(CC2)[C@]1(C)NC=O 238196584 573933292 /nfs/dbraw/zinc/93/32/92/573933292.db2.gz CHEQUUMAWODCII-CBINBANVSA-N 0 0 195.306 2.337 10 0 AEAERN CO[C@@H]1C[C@H]1[C@H](O)c1sccc1C 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CCC(CC)[C@](O)(COC)C(C)C 87496414 573933670 /nfs/dbraw/zinc/93/36/70/573933670.db2.gz UFPQPZQYRYDOCS-NSHDSACASA-N 0 0 188.311 2.456 10 0 AEAERN CC[C@@H](CO)C(C)(C)C 81131944 573933680 /nfs/dbraw/zinc/93/36/80/573933680.db2.gz WOVMYJCSCISMAU-ZETCQYMHSA-N 0 0 130.231 2.051 10 0 AEAERN C/C(=C\[C@H]1CCSC1)[C@H](C)O 224759864 573933707 /nfs/dbraw/zinc/93/37/07/573933707.db2.gz MSWQRHJICPDECQ-KSOOHAFHSA-N 0 0 172.293 2.067 10 0 AEAERN CCCC[N@@H+]1CCCC[C@]1(C)C(=O)[O-] 127613262 573933749 /nfs/dbraw/zinc/93/37/49/573933749.db2.gz KJTFCJSXSTXFFA-LLVKDONJSA-N 0 0 199.294 2.116 10 0 AEAERN CC(C)(O)c1cc2ccc(O)cc2o1 238196377 573936503 /nfs/dbraw/zinc/93/65/03/573936503.db2.gz HGSPZTFISFNTPR-UHFFFAOYSA-N 0 0 192.214 2.366 10 0 AEAERN CCn1ccc(CC(C)C)n1 87527220 573936534 /nfs/dbraw/zinc/93/65/34/573936534.db2.gz BKBPKDLTHQZCFN-UHFFFAOYSA-N 0 0 152.241 2.102 10 0 AEAERN CCCc1nc([C@@H](C)OCC)no1 308466295 573936540 /nfs/dbraw/zinc/93/65/40/573936540.db2.gz JDGFZRAYIUIZGT-SSDOTTSWSA-N 0 0 184.239 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/nfs/dbraw/zinc/93/70/21/573937021.db2.gz MALOMCWCVIXZHG-SECBINFHSA-N 0 0 183.295 2.086 10 0 AEAERN COC(=O)C(C)(C)SC(C)C 259021591 573937060 /nfs/dbraw/zinc/93/70/60/573937060.db2.gz ITJYJWHIBZLLAP-UHFFFAOYSA-N 0 0 176.281 2.080 10 0 AEAERN Cc1cc(Cl)cc(CCON)c1 258184315 573937308 /nfs/dbraw/zinc/93/73/08/573937308.db2.gz WVGLBPBLMPNIRP-UHFFFAOYSA-N 0 0 185.654 2.081 10 0 AEAERN CNOCCC[C@@H]1CCCSC1 257905734 573937117 /nfs/dbraw/zinc/93/71/17/573937117.db2.gz IIECKLRSUCJULP-SECBINFHSA-N 0 0 189.324 2.061 10 0 AEAERN CCCSC1CCC(O)CC1 259244245 573937126 /nfs/dbraw/zinc/93/71/26/573937126.db2.gz OHPIMQCSAZMRLI-UHFFFAOYSA-N 0 0 174.309 2.433 10 0 AEAERN CCC[C@H](C)C(=O)[C@H]1C[C@H]1OCC 689912941 573937316 /nfs/dbraw/zinc/93/73/16/573937316.db2.gz BBEAIFXEPBSBOH-LPEHRKFASA-N 0 0 184.279 2.417 10 0 AEAERN S=C1C[C@H](c2ccccc2)CN1 110406409 573937172 /nfs/dbraw/zinc/93/71/72/573937172.db2.gz DINFOWIHQZHILA-VIFPVBQESA-N 0 0 177.272 2.091 10 0 AEAERN CSC(=N)c1ccc(C)o1 259245860 573937198 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CC(C)(C)n1nc(N)cc1C1CCC1 257906343 573938325 /nfs/dbraw/zinc/93/83/25/573938325.db2.gz ZORXTQKTDAGNIB-UHFFFAOYSA-N 0 0 193.294 2.488 10 0 AEAERN COc1c(C=O)ccc(F)c1Cl 258184376 573938329 /nfs/dbraw/zinc/93/83/29/573938329.db2.gz WWCGQXIWOBGEMA-UHFFFAOYSA-N 0 0 188.585 2.300 10 0 AEAERN CNc1ccc(N(C)C2CC2)cc1 259245618 573938365 /nfs/dbraw/zinc/93/83/65/573938365.db2.gz LYZHQNMTEHKNMK-UHFFFAOYSA-N 0 0 176.263 2.327 10 0 AEAERN Cc1ccc2c(c1)NCC(=O)S2 259244291 573938455 /nfs/dbraw/zinc/93/84/55/573938455.db2.gz NJUWNJAEADWHNX-UHFFFAOYSA-N 0 0 179.244 2.039 10 0 AEAERN CCc1ccccc1[C@H](O)[C@@H](O)CC 308468986 573938472 /nfs/dbraw/zinc/93/84/72/573938472.db2.gz HZMWLTQUFAEYGF-RYUDHWBXSA-N 0 0 194.274 2.053 10 0 AEAERN CCC1([C@@H](O)Cc2cccnc2)CC1 308468550 573938477 /nfs/dbraw/zinc/93/84/77/573938477.db2.gz AVFUNICBEMITMK-NSHDSACASA-N 0 0 191.274 2.175 10 0 AEAERN CCC(Cl)(CC)CCO 238201135 573938639 /nfs/dbraw/zinc/93/86/39/573938639.db2.gz FQMCPVQKXLESLL-UHFFFAOYSA-N 0 0 150.649 2.166 10 0 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/nfs/dbraw/zinc/94/69/29/573946929.db2.gz PORFSTDKEZIEHB-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN C[C@H](O)c1cnc([C@@H]2CCCS2)o1 257914130 573946948 /nfs/dbraw/zinc/94/69/48/573946948.db2.gz CULSAPVCKDJMKA-XPUUQOCRSA-N 0 0 199.275 2.296 10 0 AEAERN CNc1nc(C(C)C)nc(C)c1F 85005578 573946963 /nfs/dbraw/zinc/94/69/63/573946963.db2.gz SCEGSMNJFRUBAV-UHFFFAOYSA-N 0 0 183.230 2.089 10 0 AEAERN CCCc1nc(C)c(F)c(NCC)n1 85005665 573946974 /nfs/dbraw/zinc/94/69/74/573946974.db2.gz PXUWGDUOLZBOHV-UHFFFAOYSA-N 0 0 197.257 2.308 10 0 AEAERN CC1=CC[C@](F)(C(C)C)C[C@H]1O 238205658 573946985 /nfs/dbraw/zinc/94/69/85/573946985.db2.gz LYFPEIBHNIWAQO-NXEZZACHSA-N 0 0 172.243 2.452 10 0 AEAERN CC(C)C(C(C)C)n1nccc1N 238206152 573947077 /nfs/dbraw/zinc/94/70/77/573947077.db2.gz OLBKEZPIVCZVGI-UHFFFAOYSA-N 0 0 181.283 2.318 10 0 AEAERN CCc1nc(C)cn1[C@@H](C)CCOC 715077103 573947086 /nfs/dbraw/zinc/94/70/86/573947086.db2.gz QMBVVUVCYALVOP-JTQLQIEISA-N 0 0 196.294 2.351 10 0 AEAERN Cc1c(C=O)c[nH]c2cc(=O)ccc1-2 257914187 573947087 /nfs/dbraw/zinc/94/70/87/573947087.db2.gz QSDDVKZVISFUMT-UHFFFAOYSA-N 0 0 187.198 2.061 10 0 AEAERN Clc1cc2ccnn2c(Cl)n1 257915165 573947092 /nfs/dbraw/zinc/94/70/92/573947092.db2.gz BGCRXROKUFIROU-UHFFFAOYSA-N 0 0 188.017 2.036 10 0 AEAERN CCCC[C@H](O)c1cncs1 87573123 573947195 /nfs/dbraw/zinc/94/71/95/573947195.db2.gz OULXDSHDOGDDGF-ZETCQYMHSA-N 0 0 171.265 2.367 10 0 AEAERN CCCC(=O)c1cncs1 87572776 573947203 /nfs/dbraw/zinc/94/72/03/573947203.db2.gz NIFIPVKWDHNTTR-UHFFFAOYSA-N 0 0 155.222 2.126 10 0 AEAERN CC(C)(C)[C@H](O)c1cncs1 87572892 573947213 /nfs/dbraw/zinc/94/72/13/573947213.db2.gz PDPIXGIOMNIFJY-SSDOTTSWSA-N 0 0 171.265 2.223 10 0 AEAERN CCCNc1ccnc(C2(C)CC2)n1 87553722 573947357 /nfs/dbraw/zinc/94/73/57/573947357.db2.gz HTIPFEJPPHTTGT-UHFFFAOYSA-N 0 0 191.278 2.350 10 0 AEAERN CCc1ccc(C)c(CNOC)c1 257909925 573951731 /nfs/dbraw/zinc/95/17/31/573951731.db2.gz ANCCQVFSPARQKI-UHFFFAOYSA-N 0 0 179.263 2.208 10 0 AEAERN CCCC(=O)N1CC[C@H](C)C[C@@H]1C 81561158 573951766 /nfs/dbraw/zinc/95/17/66/573951766.db2.gz TWVNFFYSBRUIBT-UWVGGRQHSA-N 0 0 183.295 2.434 10 0 AEAERN C[C@H](CO)c1cc2[nH]ccc2cc1F 258186957 573951772 /nfs/dbraw/zinc/95/17/72/573951772.db2.gz XAZSZUNRDZNYHI-SSDOTTSWSA-N 0 0 193.221 2.403 10 0 AEAERN CCCc1ccn(-c2ccccn2)n1 85020080 573951773 /nfs/dbraw/zinc/95/17/73/573951773.db2.gz ITAOJJHPJABATH-UHFFFAOYSA-N 0 0 187.246 2.220 10 0 AEAERN CCSc1c(N)c(C(C)C)nn1C 85022148 573951792 /nfs/dbraw/zinc/95/17/92/573951792.db2.gz BJFYBYPFKFTIMO-UHFFFAOYSA-N 0 0 199.323 2.238 10 0 AEAERN CN(C(=O)C1CC1)c1cccc(F)c1 81561796 573950973 /nfs/dbraw/zinc/95/09/73/573950973.db2.gz BALWXUITNDGZGX-UHFFFAOYSA-N 0 0 193.221 2.199 10 0 AEAERN O[C@H](CC1CCC1)CC1CC1 87581357 573951800 /nfs/dbraw/zinc/95/18/00/573951800.db2.gz RAFMPZIHTHGPCJ-SNVBAGLBSA-N 0 0 154.253 2.338 10 0 AEAERN C[C@@H](O)c1csc(C2(C)CC2)n1 87553635 573951082 /nfs/dbraw/zinc/95/10/82/573951082.db2.gz JVMNLZTUUZILCD-ZCFIWIBFSA-N 0 0 183.276 2.248 10 0 AEAERN CC(C)Oc1c[nH]nc1C(C)(C)C 238207147 573951087 /nfs/dbraw/zinc/95/10/87/573951087.db2.gz SCQVIOPPXUPINP-UHFFFAOYSA-N 0 0 182.267 2.494 10 0 AEAERN CCCn1ccc(C(F)F)n1 85020302 573951096 /nfs/dbraw/zinc/95/10/96/573951096.db2.gz HHKGTGCMJLHSFK-UHFFFAOYSA-N 0 0 160.167 2.231 10 0 AEAERN CC(C)c1cc2c(Cl)nnnc2o1 258188559 573951106 /nfs/dbraw/zinc/95/11/06/573951106.db2.gz VPOGOSKYSFFOGU-UHFFFAOYSA-N 0 0 197.625 2.395 10 0 AEAERN CC(C)(C)c1cc(Cl)n[nH]1 85018753 573951112 /nfs/dbraw/zinc/95/11/12/573951112.db2.gz ZYJCSMWFSNDVMR-UHFFFAOYSA-N 0 0 158.632 2.361 10 0 AEAERN O[C@H](c1cccs1)c1cncs1 87573053 573951116 /nfs/dbraw/zinc/95/11/16/573951116.db2.gz YIHFWFYZABJYFM-MRVPVSSYSA-N 0 0 197.284 2.286 10 0 AEAERN CC1(C)CCC[C@@H](C(N)=O)CC1 238207816 573951119 /nfs/dbraw/zinc/95/11/19/573951119.db2.gz JRMNZRVJIVTWGN-MRVPVSSYSA-N 0 0 169.268 2.078 10 0 AEAERN CC(C)(C)C(=O)N1CCCC1(C)C 81561651 573951145 /nfs/dbraw/zinc/95/11/45/573951145.db2.gz WLFGDCPPNDMAIJ-UHFFFAOYSA-N 0 0 183.295 2.434 10 0 AEAERN CCCc1cc(Cl)n[nH]1 85018745 573951161 /nfs/dbraw/zinc/95/11/61/573951161.db2.gz RIMSWAUIJYSRDP-UHFFFAOYSA-N 0 0 144.605 2.016 10 0 AEAERN CCCC(=O)N1CC[C@H](C)C[C@H]1C 81561168 573951194 /nfs/dbraw/zinc/95/11/94/573951194.db2.gz TWVNFFYSBRUIBT-VHSXEESVSA-N 0 0 183.295 2.434 10 0 AEAERN CC1(C)CCCC(=O)[C@H](O)CCC1 238208375 573951242 /nfs/dbraw/zinc/95/12/42/573951242.db2.gz AJZVXXLYBNHCTD-SECBINFHSA-N 0 0 184.279 2.297 10 0 AEAERN CC1(C)c2c(O)cccc2[C@@H]1CCO 238207532 573951246 /nfs/dbraw/zinc/95/12/46/573951246.db2.gz BNKWPPYWORBCSD-VIFPVBQESA-N 0 0 192.258 2.149 10 0 AEAERN C/C=C(\CC(=O)CC)n1ccnc1 216340477 573951252 /nfs/dbraw/zinc/95/12/52/573951252.db2.gz SKXMKOBIHYCGSV-YCRREMRBSA-N 0 0 178.235 2.113 10 0 AEAERN C[C@H]1SCC[C@]1(O)C1CCC1 235674568 573951277 /nfs/dbraw/zinc/95/12/77/573951277.db2.gz NRWPFUPSCBKZDI-VXNVDRBHSA-N 0 0 172.293 2.043 10 0 AEAERN CCc1cc(Cl)n(CC)n1 85019191 573951284 /nfs/dbraw/zinc/95/12/84/573951284.db2.gz BZXFVLHMAPVSLJ-UHFFFAOYSA-N 0 0 158.632 2.119 10 0 AEAERN Oc1ccc(Oc2ncco2)cc1 257909739 573951301 /nfs/dbraw/zinc/95/13/01/573951301.db2.gz PRGYXGKUPUKSSF-UHFFFAOYSA-N 0 0 177.159 2.173 10 0 AEAERN C[C@@H](O)[C@@H](F)CC1CCCC1 257909928 573951319 /nfs/dbraw/zinc/95/13/19/573951319.db2.gz AJEKQRQYCVLRGY-APPZFPTMSA-N 0 0 160.232 2.286 10 0 AEAERN CCC(=O)N(C)c1cccc(F)c1 81559638 573951333 /nfs/dbraw/zinc/95/13/33/573951333.db2.gz DYLFMCKLASSZBI-UHFFFAOYSA-N 0 0 181.210 2.199 10 0 AEAERN CCOC(=O)N1CC[C@@H](C)C[C@H]1C 81559957 573951342 /nfs/dbraw/zinc/95/13/42/573951342.db2.gz RSAUHTBZNGAPEJ-RKDXNWHRSA-N 0 0 185.267 2.263 10 0 AEAERN CCC[C@@H](C)n1nnc(N)c1C(C)C 233287204 573951359 /nfs/dbraw/zinc/95/13/59/573951359.db2.gz NGYKOCQICFONIQ-MRVPVSSYSA-N 0 0 196.298 2.345 10 0 AEAERN CC(C)Oc1c[nH]nc1C1CC1 238207221 573951365 /nfs/dbraw/zinc/95/13/65/573951365.db2.gz UHYUFVKNJRKVSK-UHFFFAOYSA-N 0 0 166.224 2.074 10 0 AEAERN C[C@H]1CCN(C(=O)C2CC2)[C@@H](C)C1 81561181 573951386 /nfs/dbraw/zinc/95/13/86/573951386.db2.gz ZLNCSADYBYZFRL-IUCAKERBSA-N 0 0 181.279 2.043 10 0 AEAERN Cc1c(Cl)n[nH]c1C(F)(F)F 85018742 573951393 /nfs/dbraw/zinc/95/13/93/573951393.db2.gz HJIACKPIGFHKDM-UHFFFAOYSA-N 0 0 184.548 2.390 10 0 AEAERN CCCCCN(C)C(=O)C(F)(F)F 81562247 573951456 /nfs/dbraw/zinc/95/14/56/573951456.db2.gz MISHYJBIWKJLIW-UHFFFAOYSA-N 0 0 197.200 2.197 10 0 AEAERN CC(C)c1cc(Cl)n[nH]1 85018762 573951470 /nfs/dbraw/zinc/95/14/70/573951470.db2.gz KGSFGIFLUYWFRH-UHFFFAOYSA-N 0 0 144.605 2.187 10 0 AEAERN FCCOc1ccc2c(c1)CCCN2 257911154 573951492 /nfs/dbraw/zinc/95/14/92/573951492.db2.gz FLLMGCCWPMYECL-UHFFFAOYSA-N 0 0 195.237 2.393 10 0 AEAERN CC(C)Oc1c(N)ccnc1Cl 238206850 573951495 /nfs/dbraw/zinc/95/14/95/573951495.db2.gz NHCQMNXQOVCVLB-UHFFFAOYSA-N 0 0 186.642 2.104 10 0 AEAERN C[C@H]1SCC[C@]1(O)C(C)(C)C 235674282 573951502 /nfs/dbraw/zinc/95/15/02/573951502.db2.gz XUSHXJMJGWLRPC-VXNVDRBHSA-N 0 0 174.309 2.289 10 0 AEAERN CCCn1ccc(C(C)C)n1 85020305 573951503 /nfs/dbraw/zinc/95/15/03/573951503.db2.gz WZRGXVHKRFUUBS-UHFFFAOYSA-N 0 0 152.241 2.417 10 0 AEAERN CCN1C[C@@H](C)c2c(C=O)cccc21 257910192 573951510 /nfs/dbraw/zinc/95/15/10/573951510.db2.gz BGQWNUPKJATYPA-SECBINFHSA-N 0 0 189.258 2.443 10 0 AEAERN CO[C@@H]1CCNc2cccc(C)c21 257915657 573951526 /nfs/dbraw/zinc/95/15/26/573951526.db2.gz QTWBQLJYARLMDZ-SNVBAGLBSA-N 0 0 177.247 2.498 10 0 AEAERN C[C@@H](O)[C@H](F)CC1CCCC1 257909988 573951533 /nfs/dbraw/zinc/95/15/33/573951533.db2.gz AJEKQRQYCVLRGY-VXNVDRBHSA-N 0 0 160.232 2.286 10 0 AEAERN C[C@H]1SCC[C@]1(O)CC1CC1 235674691 573951548 /nfs/dbraw/zinc/95/15/48/573951548.db2.gz SWGJSGMEJNVQLO-APPZFPTMSA-N 0 0 172.293 2.043 10 0 AEAERN CC(C)[C@@]12CCC[C@@H]1C(=O)C2 238207426 573951550 /nfs/dbraw/zinc/95/15/50/573951550.db2.gz DYONIPNDAZEARR-SCZZXKLOSA-N 0 0 152.237 2.402 10 0 AEAERN Clc1ccc2c(c1)NOC2 257910235 573951552 /nfs/dbraw/zinc/95/15/52/573951552.db2.gz ASQNGVDKVSUZMZ-UHFFFAOYSA-N 0 0 155.584 2.197 10 0 AEAERN CC(=C=C(C)C(C)C)CO 238207833 573951628 /nfs/dbraw/zinc/95/16/28/573951628.db2.gz PVNOININYJOTPA-UHFFFAOYSA-N 0 0 140.226 2.126 10 0 AEAERN Cc1c(C(F)(F)F)nn(C)c1Cl 85018536 573951649 /nfs/dbraw/zinc/95/16/49/573951649.db2.gz WWHFHGBVUYFBRT-UHFFFAOYSA-N 0 0 198.575 2.401 10 0 AEAERN OC1(CC[C@@H]2CCOC2)CCCCC1 257910831 573951679 /nfs/dbraw/zinc/95/16/79/573951679.db2.gz FHXMBWTYXUNEOP-LLVKDONJSA-N 0 0 198.306 2.498 10 0 AEAERN CCn1nc2c(c1Cl)CCC2 85019155 573951685 /nfs/dbraw/zinc/95/16/85/573951685.db2.gz INXGFHLOEBYIRE-UHFFFAOYSA-N 0 0 170.643 2.045 10 0 AEAERN CCN1C[C@H](C)c2c(C=O)cccc21 257910199 573953198 /nfs/dbraw/zinc/95/31/98/573953198.db2.gz BGQWNUPKJATYPA-VIFPVBQESA-N 0 0 189.258 2.443 10 0 AEAERN CC[C@H](C)n1nc(SC)cc1N 87584275 573953226 /nfs/dbraw/zinc/95/32/26/573953226.db2.gz KXJQKTMMWZVMCX-LURJTMIESA-N 0 0 185.296 2.158 10 0 AEAERN CC1(C)[C@@H](CO)[C@H]1Oc1ccccc1 238207060 573953246 /nfs/dbraw/zinc/95/32/46/573953246.db2.gz HGYBEXDIXFXZFL-WDEREUQCSA-N 0 0 192.258 2.082 10 0 AEAERN OC1(CC[C@H]2CCOC2)CCCCC1 257910835 573953266 /nfs/dbraw/zinc/95/32/66/573953266.db2.gz FHXMBWTYXUNEOP-NSHDSACASA-N 0 0 198.306 2.498 10 0 AEAERN Cc1ccn(-c2ccccc2F)n1 85020091 573953283 /nfs/dbraw/zinc/95/32/83/573953283.db2.gz ZXVFRLBCNJVRDE-UHFFFAOYSA-N 0 0 176.194 2.320 10 0 AEAERN N[C@H](F)C1CCCCCC1 257909853 573953291 /nfs/dbraw/zinc/95/32/91/573953291.db2.gz AIVVHZOTICDQQE-QMMMGPOBSA-N 0 0 145.221 2.211 10 0 AEAERN C[C@H]1SCC[C@]1(O)CCC1CC1 235674863 573953331 /nfs/dbraw/zinc/95/33/31/573953331.db2.gz JRGUCOUYFBPCFS-PSASIEDQSA-N 0 0 186.320 2.433 10 0 AEAERN CCNc1cc(C)nc(CC2CC2)n1 87583444 573953355 /nfs/dbraw/zinc/95/33/55/573953355.db2.gz NHQFHTXLKZTCEY-UHFFFAOYSA-N 0 0 191.278 2.169 10 0 AEAERN FC(F)c1ccn(-c2ccccn2)n1 85020083 573953422 /nfs/dbraw/zinc/95/34/22/573953422.db2.gz DMACWAWKHOLJFE-UHFFFAOYSA-N 0 0 195.172 2.205 10 0 AEAERN CNc1nc(CC2CC2)nc(C)c1C 87583479 573953437 /nfs/dbraw/zinc/95/34/37/573953437.db2.gz PMUKVEHYLGVAJW-UHFFFAOYSA-N 0 0 191.278 2.088 10 0 AEAERN CCc1ccn([C@H](C)CC)n1 85020387 573953451 /nfs/dbraw/zinc/95/34/51/573953451.db2.gz KELYRPAZTPIZCD-MRVPVSSYSA-N 0 0 152.241 2.417 10 0 AEAERN CCc1ccn(-c2cc(C)ccn2)n1 85020453 573953466 /nfs/dbraw/zinc/95/34/66/573953466.db2.gz YSUIYNWVFXYCPD-UHFFFAOYSA-N 0 0 187.246 2.138 10 0 AEAERN CC(C)[C@@]12CC[C@@]1(C)C(=O)C2 238207859 573953476 /nfs/dbraw/zinc/95/34/76/573953476.db2.gz WMMSDXAYAHBEBP-UWVGGRQHSA-N 0 0 152.237 2.402 10 0 AEAERN Cc1ccncc1[C@@H](O)CC1CC1 87581284 573953478 /nfs/dbraw/zinc/95/34/78/573953478.db2.gz SSNBOBNDAFDXDR-NSHDSACASA-N 0 0 177.247 2.224 10 0 AEAERN Cc1[nH]nc(Cl)c1C(C)C 85018763 573953487 /nfs/dbraw/zinc/95/34/87/573953487.db2.gz OLBVADBKRHZSSE-UHFFFAOYSA-N 0 0 158.632 2.495 10 0 AEAERN CNOCc1ccc(Cl)s1 257915551 573953536 /nfs/dbraw/zinc/95/35/36/573953536.db2.gz JKKIMANWAKOAJJ-UHFFFAOYSA-N 0 0 177.656 2.053 10 0 AEAERN O[C@H](CC1CC1)c1cncc(F)c1 87581559 573953544 /nfs/dbraw/zinc/95/35/44/573953544.db2.gz KVFHFGIHIBEBIQ-SNVBAGLBSA-N 0 0 181.210 2.054 10 0 AEAERN CC(C)c1ccn(-c2ccccn2)n1 85020087 573953548 /nfs/dbraw/zinc/95/35/48/573953548.db2.gz GPXFTFKCUIRNES-UHFFFAOYSA-N 0 0 187.246 2.391 10 0 AEAERN CSc1cc(N)n([C@@H](C)C2CC2)n1 87584280 573953584 /nfs/dbraw/zinc/95/35/84/573953584.db2.gz RKMYHESMKWIHMM-LURJTMIESA-N 0 0 197.307 2.158 10 0 AEAERN NOCc1cccc(C2CCC2)c1 257915594 573953589 /nfs/dbraw/zinc/95/35/89/573953589.db2.gz BNDWWMVJQCTOQY-UHFFFAOYSA-N 0 0 177.247 2.344 10 0 AEAERN CCc1c(C)nn(CC)c1Cl 85019159 573953595 /nfs/dbraw/zinc/95/35/95/573953595.db2.gz RNQZWCWBEUDYRT-UHFFFAOYSA-N 0 0 172.659 2.427 10 0 AEAERN COCc1ccn(-c2ccccc2)n1 85020020 573953630 /nfs/dbraw/zinc/95/36/30/573953630.db2.gz XJIYKXZUQYLXHV-UHFFFAOYSA-N 0 0 188.230 2.019 10 0 AEAERN CSc1cc(N)n(C2CCCC2)n1 87584268 573953638 /nfs/dbraw/zinc/95/36/38/573953638.db2.gz MKEJXLDTYSBNPC-UHFFFAOYSA-N 0 0 197.307 2.302 10 0 AEAERN COCc1cc(Cl)n(C(C)C)n1 85019140 573953644 /nfs/dbraw/zinc/95/36/44/573953644.db2.gz JJHBCJOECYKBFS-UHFFFAOYSA-N 0 0 188.658 2.264 10 0 AEAERN CC(C)[C@@]1([C@H](C)O)CCC(C)(C)C1=O 238206944 573953682 /nfs/dbraw/zinc/95/36/82/573953682.db2.gz XCGHCAAKZRZKCC-JOYOIKCWSA-N 0 0 198.306 2.399 10 0 AEAERN CCc1oc(C=O)nc1C(C)C 257909835 573953714 /nfs/dbraw/zinc/95/37/14/573953714.db2.gz AIQACNSYRGDXRM-UHFFFAOYSA-N 0 0 167.208 2.173 10 0 AEAERN CC(C)Oc1c[nH]nc1C(C)C 238207173 573953715 /nfs/dbraw/zinc/95/37/15/573953715.db2.gz KHMYFTJUYHGCIF-UHFFFAOYSA-N 0 0 168.240 2.320 10 0 AEAERN Cc1ccncc1C(=O)CC1CC1 87580849 573953722 /nfs/dbraw/zinc/95/37/22/573953722.db2.gz XEIKPZWYDRFRAM-UHFFFAOYSA-N 0 0 175.231 2.373 10 0 AEAERN Cc1ccn(-c2ccc(F)cc2F)n1 85020060 573953725 /nfs/dbraw/zinc/95/37/25/573953725.db2.gz MCNSAXUZWRJAFH-UHFFFAOYSA-N 0 0 194.184 2.459 10 0 AEAERN Cc1nn(C)c(C)c1NCC1CCC1 87584462 573953729 /nfs/dbraw/zinc/95/37/29/573953729.db2.gz KDJGKWDSEQUFHB-UHFFFAOYSA-N 0 0 193.294 2.249 10 0 AEAERN COc1ncccc1NCC1CCC1 87584548 573953742 /nfs/dbraw/zinc/95/37/42/573953742.db2.gz PKNFMYYXNOJSTR-UHFFFAOYSA-N 0 0 192.262 2.302 10 0 AEAERN Cc1ccc(C(=O)[C@H](O)C2CC2)s1 235842802 573953806 /nfs/dbraw/zinc/95/38/06/573953806.db2.gz ZUBUEVGAWQRCDC-SECBINFHSA-N 0 0 196.271 2.010 10 0 AEAERN Cc1cc2c(cc1C)OCC(CO)=C2 235842671 573953824 /nfs/dbraw/zinc/95/38/24/573953824.db2.gz HOYPRYCNLGZMQY-UHFFFAOYSA-N 0 0 190.242 2.072 10 0 AEAERN Cc1ccncc1[C@H](O)CC1CC1 87581282 573953840 /nfs/dbraw/zinc/95/38/40/573953840.db2.gz SSNBOBNDAFDXDR-LLVKDONJSA-N 0 0 177.247 2.224 10 0 AEAERN Cc1ccc([C@H](C)O)c(O)c1Cl 258189702 573953841 /nfs/dbraw/zinc/95/38/41/573953841.db2.gz XJYIUPSEZRXPMZ-LURJTMIESA-N 0 0 186.638 2.407 10 0 AEAERN Clc1n[nH]c2c1CCCCC2 85018755 573953858 /nfs/dbraw/zinc/95/38/58/573953858.db2.gz JCBPHYGYIIKCIE-UHFFFAOYSA-N 0 0 170.643 2.332 10 0 AEAERN CCn1nc2c(c1Cl)CCCC2 85019168 573953914 /nfs/dbraw/zinc/95/39/14/573953914.db2.gz YHAHUZXHGICPGC-UHFFFAOYSA-N 0 0 184.670 2.435 10 0 AEAERN CCn1nc(C)c(C)c1Cl 85019166 573953945 /nfs/dbraw/zinc/95/39/45/573953945.db2.gz GQDHEPJYAHIYDK-UHFFFAOYSA-N 0 0 158.632 2.173 10 0 AEAERN CCc1cc(NC)nc(CC2CC2)n1 87583460 573953961 /nfs/dbraw/zinc/95/39/61/573953961.db2.gz YHBIGGJQDWVORI-UHFFFAOYSA-N 0 0 191.278 2.033 10 0 AEAERN CC(C)(C)Nc1nc(CC2CC2)no1 87583686 573953997 /nfs/dbraw/zinc/95/39/97/573953997.db2.gz DHMBVYNSXYRPCG-UHFFFAOYSA-N 0 0 195.266 2.233 10 0 AEAERN C[C@@H](O)c1cnc(CC2CC2)s1 87583382 573954001 /nfs/dbraw/zinc/95/40/01/573954001.db2.gz YTUUXSOCZQJHEB-ZCFIWIBFSA-N 0 0 183.276 2.149 10 0 AEAERN COCc1cc(F)ccc1C(C)(C)O 258189663 573955299 /nfs/dbraw/zinc/95/52/99/573955299.db2.gz XIJYTUMTMLTZBH-UHFFFAOYSA-N 0 0 198.237 2.200 10 0 AEAERN CC(C)c1cc(N)nc(CC2CC2)n1 87583430 573955342 /nfs/dbraw/zinc/95/53/42/573955342.db2.gz OLUXTSNTSUYSRQ-UHFFFAOYSA-N 0 0 191.278 2.135 10 0 AEAERN C[C@]1(O)CCC[C@H](C2CC2)C1 81647311 573954575 /nfs/dbraw/zinc/95/45/75/573954575.db2.gz UXBBRLVTYIOAAK-UWVGGRQHSA-N 0 0 154.253 2.338 10 0 AEAERN CC1=C[C@H](O)[C@](N=O)(C(C)C)CC1 238210661 573954605 /nfs/dbraw/zinc/95/46/05/573954605.db2.gz FADXHTZARPLCOL-VHSXEESVSA-N 0 0 183.251 2.249 10 0 AEAERN C/C(F)=C(\Cl)[C@@H](O)C(C)C 238210373 573954659 /nfs/dbraw/zinc/95/46/59/573954659.db2.gz CLGIZHCAWRNRHC-XPPMVYLVSA-N 0 0 166.623 2.443 10 0 AEAERN Cc1cc(C)cc(OCC2COC2)c1 259026323 573954801 /nfs/dbraw/zinc/95/48/01/573954801.db2.gz JTAXUCYEVFSELA-UHFFFAOYSA-N 0 0 192.258 2.329 10 0 AEAERN CC/C(C)=C/C=C/[C@@H](C)O 238209502 573954806 /nfs/dbraw/zinc/95/48/06/573954806.db2.gz FGAWDAKXSFCSAY-VTNPWJGKSA-N 0 0 140.226 2.280 10 0 AEAERN Cc1nn(CC2CCC2)c(N)c1Cl 87584675 573954817 /nfs/dbraw/zinc/95/48/17/573954817.db2.gz LVTJKUKEZUOECE-UHFFFAOYSA-N 0 0 199.685 2.227 10 0 AEAERN C[C@H]1Cc2ccc([C@@H](C)O)cc2N1 258189721 573954876 /nfs/dbraw/zinc/95/48/76/573954876.db2.gz TWXMMUPILPFVOT-JGVFFNPUSA-N 0 0 177.247 2.096 10 0 AEAERN CCn1nc(C)c(N)c1SC(C)C 85023042 573954881 /nfs/dbraw/zinc/95/48/81/573954881.db2.gz ZTUQGUIZJSBYDP-UHFFFAOYSA-N 0 0 199.323 2.294 10 0 AEAERN CCCCNc1cccccc1=O 238209049 573954944 /nfs/dbraw/zinc/95/49/44/573954944.db2.gz UNQTZVUBNWOYKN-UHFFFAOYSA-N 0 0 177.247 2.259 10 0 AEAERN CC(C)[C@]1(CO)CC[C@@H](C)CC1=O 238210217 573954951 /nfs/dbraw/zinc/95/49/51/573954951.db2.gz OJFWRBPJDOUSCW-MWLCHTKSSA-N 0 0 184.279 2.010 10 0 AEAERN Cc1nc(CC2CC2)sc1[C@@H](C)O 87583369 573954985 /nfs/dbraw/zinc/95/49/85/573954985.db2.gz YLVIPMRBWJOPCT-SSDOTTSWSA-N 0 0 197.303 2.457 10 0 AEAERN CC1=C(CO)CCc2ccccc21 238209952 573955007 /nfs/dbraw/zinc/95/50/07/573955007.db2.gz FXEQFMOQAAPDIL-UHFFFAOYSA-N 0 0 174.243 2.399 10 0 AEAERN CC(C)N(C)c1cc(Cl)cc(N)n1 238208816 573955019 /nfs/dbraw/zinc/95/50/19/573955019.db2.gz NNPJITBBWDUDKZ-UHFFFAOYSA-N 0 0 199.685 2.162 10 0 AEAERN Cc1n[nH]c(C)c1NCC1CCC1 87584496 573955020 /nfs/dbraw/zinc/95/50/20/573955020.db2.gz IDQZQJVDKVUXBN-UHFFFAOYSA-N 0 0 179.267 2.239 10 0 AEAERN Cc1cc(CON)c(C)c(C)c1C 257915633 573955026 /nfs/dbraw/zinc/95/50/26/573955026.db2.gz BOAHMQDAMVORBE-UHFFFAOYSA-N 0 0 179.263 2.311 10 0 AEAERN CC1=C[C@@H](C)C[C@@H](CNN(C)C)C1 235675558 573955035 /nfs/dbraw/zinc/95/50/35/573955035.db2.gz IGCHTCIQDRWPIE-MWLCHTKSSA-N 0 0 182.311 2.045 10 0 AEAERN Cc1ccc([C@@H](C)CO)c(C)c1O 257911956 573955079 /nfs/dbraw/zinc/95/50/79/573955079.db2.gz AXTKFVKDSYXNBI-QMMMGPOBSA-N 0 0 180.247 2.105 10 0 AEAERN CN[C@H](c1ccco1)c1cncs1 87574487 573955106 /nfs/dbraw/zinc/95/51/06/573955106.db2.gz GYRZJKSWIBMGGO-SECBINFHSA-N 0 0 194.259 2.045 10 0 AEAERN CC1=C[C@@H](O)[C@](F)(C(C)C)CC1 238210487 573955119 /nfs/dbraw/zinc/95/51/19/573955119.db2.gz CLSNXMLLQMVACL-NXEZZACHSA-N 0 0 172.243 2.452 10 0 AEAERN CCCn1nc(C)c(N)c1NC(C)C 85023110 573955141 /nfs/dbraw/zinc/95/51/41/573955141.db2.gz ZEEAMFVMUGGTHL-UHFFFAOYSA-N 0 0 196.298 2.004 10 0 AEAERN Cc1cccc(C[C@@H](F)[C@H](C)O)c1 257912779 573955144 /nfs/dbraw/zinc/95/51/44/573955144.db2.gz QLZFOCQTSKRHMN-GXSJLCMTSA-N 0 0 182.238 2.256 10 0 AEAERN CONCc1c(F)ccc2ccoc12 258189695 573955154 /nfs/dbraw/zinc/95/51/54/573955154.db2.gz XJGMIEYFUZIUOJ-UHFFFAOYSA-N 0 0 195.193 2.223 10 0 AEAERN CC/C(Br)=C/CCO 238209099 573955175 /nfs/dbraw/zinc/95/51/75/573955175.db2.gz OILTVKWNDOVARI-XQRVVYSFSA-N 0 0 179.057 2.058 10 0 AEAERN CC[C@H](C[C@H](C)O)n1cccc1 716871393 573955183 /nfs/dbraw/zinc/95/51/83/573955183.db2.gz KFSNGRPMRXXBIM-VHSXEESVSA-N 0 0 167.252 2.210 10 0 AEAERN CN[C@@H](c1ccco1)c1cncs1 87574486 573955201 /nfs/dbraw/zinc/95/52/01/573955201.db2.gz GYRZJKSWIBMGGO-VIFPVBQESA-N 0 0 194.259 2.045 10 0 AEAERN CCn1cc(C)nc1N1CCCCC1 257911759 573955210 /nfs/dbraw/zinc/95/52/10/573955210.db2.gz PWXKVJLRPDTKEH-UHFFFAOYSA-N 0 0 193.294 2.202 10 0 AEAERN CC(=O)c1cnc(CC2CC2)s1 87583207 573955265 /nfs/dbraw/zinc/95/52/65/573955265.db2.gz HJYHGXZASRNYPY-UHFFFAOYSA-N 0 0 181.260 2.298 10 0 AEAERN CC1(C)CCC2(CC2)[C@@H](O)C1 238209302 573955281 /nfs/dbraw/zinc/95/52/81/573955281.db2.gz WEWPMIGSCFYDPK-QMMMGPOBSA-N 0 0 154.253 2.338 10 0 AEAERN Cc1ccc([C@@H](O)CC2CC2)cn1 87581279 573955290 /nfs/dbraw/zinc/95/52/90/573955290.db2.gz DWUUDZKUHXZFDG-NSHDSACASA-N 0 0 177.247 2.224 10 0 AEAERN CC1=C(CO)CCC1(C)C 238209717 573957147 /nfs/dbraw/zinc/95/71/47/573957147.db2.gz JXWOUGIBRWOLQN-UHFFFAOYSA-N 0 0 140.226 2.115 10 0 AEAERN Cc1coc(Oc2ccc(O)cc2)n1 257911704 573957164 /nfs/dbraw/zinc/95/71/64/573957164.db2.gz PVKLSIFCYAEJQN-UHFFFAOYSA-N 0 0 191.186 2.481 10 0 AEAERN Cc1cc(C)nc(-c2ccncc2)n1 104146352 573957170 /nfs/dbraw/zinc/95/71/70/573957170.db2.gz IKXQCQVEKNKMND-UHFFFAOYSA-N 0 0 185.230 2.155 10 0 AEAERN CC(C)=C(C(C)C)[C@@H](C)O 238210107 573957231 /nfs/dbraw/zinc/95/72/31/573957231.db2.gz JAXRBSBSZYAFNK-MRVPVSSYSA-N 0 0 142.242 2.360 10 0 AEAERN Cc1nc(C=O)[nH]c1C1CCCC1 257912745 573957238 /nfs/dbraw/zinc/95/72/38/573957238.db2.gz QLTUXPDYIYUQTD-UHFFFAOYSA-N 0 0 178.235 2.188 10 0 AEAERN COC(=O)CCCC1CCC1 259027685 573957242 /nfs/dbraw/zinc/95/72/42/573957242.db2.gz BBPYZYVUVVOBFJ-UHFFFAOYSA-N 0 0 156.225 2.130 10 0 AEAERN Nc1ccc2c(c1)cc1n2CCC1 257911478 573957278 /nfs/dbraw/zinc/95/72/78/573957278.db2.gz QISKEHWDNIHLOB-UHFFFAOYSA-N 0 0 172.231 2.170 10 0 AEAERN Cc1ccc([C@H](C)CO)c(C)c1O 257911952 573957321 /nfs/dbraw/zinc/95/73/21/573957321.db2.gz AXTKFVKDSYXNBI-MRVPVSSYSA-N 0 0 180.247 2.105 10 0 AEAERN CC(=O)[C@H]1C[C@@H]1C1CCC1 87585591 573957323 /nfs/dbraw/zinc/95/73/23/573957323.db2.gz SHLODXNYESLFTH-RKDXNWHRSA-N 0 0 138.210 2.012 10 0 AEAERN CSc1c(O)cccc1CC(C)=O 258036045 573957324 /nfs/dbraw/zinc/95/73/24/573957324.db2.gz JJDLLAQMRNLHMO-UHFFFAOYSA-N 0 0 196.271 2.246 10 0 AEAERN CC[C@@H](CO)Cc1ccsc1 85041519 573957332 /nfs/dbraw/zinc/95/73/32/573957332.db2.gz SXULGGDJMCFVTB-MRVPVSSYSA-N 0 0 170.277 2.309 10 0 AEAERN C[C@@H]1CSc2c(N)cccc2N1 259250079 573957349 /nfs/dbraw/zinc/95/73/49/573957349.db2.gz NTQAMVAHHNVQNA-ZCFIWIBFSA-N 0 0 180.276 2.175 10 0 AEAERN CCCCC[C@@H](CO)SC 238210369 573957475 /nfs/dbraw/zinc/95/74/75/573957475.db2.gz MNTZDONGEKJSQB-QMMMGPOBSA-N 0 0 162.298 2.291 10 0 AEAERN CC1=C[C@@H](O)[C@](N=O)(C(C)C)CC1 238210676 573957491 /nfs/dbraw/zinc/95/74/91/573957491.db2.gz FADXHTZARPLCOL-NXEZZACHSA-N 0 0 183.251 2.249 10 0 AEAERN Cc1nc(C2CCC2)c(N)s1 87586016 573957492 /nfs/dbraw/zinc/95/74/92/573957492.db2.gz VXXORKALGONMTG-UHFFFAOYSA-N 0 0 168.265 2.301 10 0 AEAERN C[C@@H]1CSc2cccc(CCO)c21 257912066 573957494 /nfs/dbraw/zinc/95/74/94/573957494.db2.gz BJUOMSYDWIDRHO-MRVPVSSYSA-N 0 0 194.299 2.431 10 0 AEAERN Cc1cc(C)nc(-c2cccnc2)n1 104146346 573957515 /nfs/dbraw/zinc/95/75/15/573957515.db2.gz PQCXRTIDJOAAFY-UHFFFAOYSA-N 0 0 185.230 2.155 10 0 AEAERN CC(=O)C[C@H]1Cc2cc(C)ccc2O1 257912183 573957572 /nfs/dbraw/zinc/95/75/72/573957572.db2.gz BKZVFVZEQPHNIP-NSHDSACASA-N 0 0 190.242 2.278 10 0 AEAERN CCCC[C@@H](CO)C(C)C 85040613 573957671 /nfs/dbraw/zinc/95/76/71/573957671.db2.gz TYJGFKNNHJGWKN-VIFPVBQESA-N 0 0 144.258 2.441 10 0 AEAERN CCOCCC(CC)(CC)CO 85038507 573957706 /nfs/dbraw/zinc/95/77/06/573957706.db2.gz GTKBGKJNUCNSQM-UHFFFAOYSA-N 0 0 174.284 2.212 10 0 AEAERN CC(C)C[C@@H](CO)C(C)C 85040609 573957745 /nfs/dbraw/zinc/95/77/45/573957745.db2.gz CBHPZSADBWMIGE-VIFPVBQESA-N 0 0 144.258 2.297 10 0 AEAERN Cc1n[nH]c2cc(N)cc(Cl)c12 259250853 573957769 /nfs/dbraw/zinc/95/77/69/573957769.db2.gz AJKJBXCDUQYNRT-UHFFFAOYSA-N 0 0 181.626 2.107 10 0 AEAERN Fc1ccc2c(c1)OCC1(CC1)CN2 259250052 573957799 /nfs/dbraw/zinc/95/77/99/573957799.db2.gz NSHAVLSEXHCAMF-UHFFFAOYSA-N 0 0 193.221 2.410 10 0 AEAERN Cc1cccc(C[C@H](F)[C@@H](C)O)c1 257912783 573957810 /nfs/dbraw/zinc/95/78/10/573957810.db2.gz QLZFOCQTSKRHMN-KOLCDFICSA-N 0 0 182.238 2.256 10 0 AEAERN CC(=O)[C@@H]1C[C@@H]1C1CCC1 87585590 573957812 /nfs/dbraw/zinc/95/78/12/573957812.db2.gz SHLODXNYESLFTH-DTWKUNHWSA-N 0 0 138.210 2.012 10 0 AEAERN CC/C(=C\C1CCC1)CO 87586627 573957816 /nfs/dbraw/zinc/95/78/16/573957816.db2.gz PUOLAHMZZKUPSB-SOFGYWHQSA-N 0 0 140.226 2.115 10 0 AEAERN CC1(C)C=CC[C@H](CCO)C1 197140962 573957878 /nfs/dbraw/zinc/95/78/78/573957878.db2.gz BMTXTVYTPPFCBF-SECBINFHSA-N 0 0 154.253 2.361 10 0 AEAERN Cc1nc(Cl)c(Br)[nH]1 257912017 573957923 /nfs/dbraw/zinc/95/79/23/573957923.db2.gz AZFGCGWDUJSFDY-UHFFFAOYSA-N 0 0 195.447 2.134 10 0 AEAERN CC(C)[C@]1([C@@H](C)O)CCC(C)(C)C1=O 238211459 573957924 /nfs/dbraw/zinc/95/79/24/573957924.db2.gz XCGHCAAKZRZKCC-SKDRFNHKSA-N 0 0 198.306 2.399 10 0 AEAERN O=C1CCC[C@@H](C(=O)C2CCC2)C1 87585702 573957926 /nfs/dbraw/zinc/95/79/26/573957926.db2.gz AJQPLQVKRUQLIX-SECBINFHSA-N 0 0 180.247 2.115 10 0 AEAERN C[C@@H]([C@H](O)c1ccccc1)C(C)(C)O 197160153 573957936 /nfs/dbraw/zinc/95/79/36/573957936.db2.gz IRDSOFPGIAHWIS-ONGXEEELSA-N 0 0 194.274 2.127 10 0 AEAERN CC(C)[C@]12CCC[C@@H]1C(=O)C2 238211954 573957959 /nfs/dbraw/zinc/95/79/59/573957959.db2.gz DYONIPNDAZEARR-PSASIEDQSA-N 0 0 152.237 2.402 10 0 AEAERN CCSCc1ccc(O)cc1O 258191187 573957970 /nfs/dbraw/zinc/95/79/70/573957970.db2.gz UGJKSFGDUHZMNA-UHFFFAOYSA-N 0 0 184.260 2.351 10 0 AEAERN CC1(C)[C@@H]2CC[C@@]1(C)C=CNC2=O 238215479 573957973 /nfs/dbraw/zinc/95/79/73/573957973.db2.gz BGTBHBVWORJVID-KCJUWKMLSA-N 0 0 179.263 2.072 10 0 AEAERN CC1(C)C(=O)[C@]2(C)C=CC[C@@H]12 238211499 573959488 /nfs/dbraw/zinc/95/94/88/573959488.db2.gz 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128221141 574038801 /nfs/dbraw/zinc/03/88/01/574038801.db2.gz WUZXEINLTMNSMU-PSASIEDQSA-N 0 0 174.284 2.209 10 0 AEAERN C[C@H]1CN[C@@H](c2ccoc2)SC1 85337892 574038833 /nfs/dbraw/zinc/03/88/33/574038833.db2.gz NBHMZNCJOZONKD-IONNQARKSA-N 0 0 183.276 2.251 10 0 AEAERN O=c1[nH]nc(-c2ccco2)cc1Cl 259295016 574038847 /nfs/dbraw/zinc/03/88/47/574038847.db2.gz CCYGLTWCRZMGPN-UHFFFAOYSA-N 0 0 196.593 2.096 10 0 AEAERN Nc1ccc(-n2ccnc2)cc1C1CC1 308830696 574038865 /nfs/dbraw/zinc/03/88/65/574038865.db2.gz TUPRQDYNYMKPST-UHFFFAOYSA-N 0 0 199.257 2.332 10 0 AEAERN C[C@H]1CCN[C@@H](c2ccco2)S1 85341866 574038900 /nfs/dbraw/zinc/03/89/00/574038900.db2.gz MEOONEUMDZRVSK-IONNQARKSA-N 0 0 183.276 2.393 10 0 AEAERN C[C@H]1CN[C@H](c2ccncc2)SC1 85337182 574038955 /nfs/dbraw/zinc/03/89/55/574038955.db2.gz GCUXAMHTCLAXJS-WPRPVWTQSA-N 0 0 194.303 2.053 10 0 AEAERN CCOc1ccc(SN)cc1 259293083 574038984 /nfs/dbraw/zinc/03/89/84/574038984.db2.gz SXEVLVXZASNNAP-UHFFFAOYSA-N 0 0 169.249 2.051 10 0 AEAERN C[C@@H]1CCN[C@@H](c2ccoc2)S1 85341975 574039046 /nfs/dbraw/zinc/03/90/46/574039046.db2.gz GLZIKDBAYKOLGC-VXNVDRBHSA-N 0 0 183.276 2.393 10 0 AEAERN CCC[C@@H](C)Nc1cncc(NC)n1 87807719 574041231 /nfs/dbraw/zinc/04/12/31/574041231.db2.gz LTNRGDSOJLZQCH-MRVPVSSYSA-N 0 0 194.282 2.119 10 0 AEAERN CCCC[C@@H](CC)c1nc(N)n(C)n1 128244308 574041280 /nfs/dbraw/zinc/04/12/80/574041280.db2.gz DOZAFOPMKDAMFN-MRVPVSSYSA-N 0 0 196.298 2.081 10 0 AEAERN CC[C@@H]1CS[C@H](CCSC)[NH2+]1 85347315 574041297 /nfs/dbraw/zinc/04/12/97/574041297.db2.gz XMFJKPQRWQQWOG-HTQZYQBOSA-N 0 0 191.365 2.181 10 0 AEAERN Clc1cnnc(-c2cccnc2)c1 259295339 574041371 /nfs/dbraw/zinc/04/13/71/574041371.db2.gz CGDDXLFBPFWPLX-UHFFFAOYSA-N 0 0 191.621 2.192 10 0 AEAERN CC[C@@H]1CSC[C@@H](C(F)(F)F)N1 85347822 574041483 /nfs/dbraw/zinc/04/14/83/574041483.db2.gz XGRYHLXGMVNICK-RITPCOANSA-N 0 0 199.241 2.032 10 0 AEAERN COCCCC[C@H](O)c1ccco1 388681365 574041544 /nfs/dbraw/zinc/04/15/44/574041544.db2.gz AGJFTIDMBDNRJF-VIFPVBQESA-N 0 0 184.235 2.130 10 0 AEAERN CCCC[C@H](CC)c1nc(N)n(C)n1 128244527 574041547 /nfs/dbraw/zinc/04/15/47/574041547.db2.gz DOZAFOPMKDAMFN-QMMMGPOBSA-N 0 0 196.298 2.081 10 0 AEAERN CO[C@@H](C)C[C@@H](O)CC1CCCC1 128236899 574041564 /nfs/dbraw/zinc/04/15/64/574041564.db2.gz SBRNWSLUGRZBGS-GXSJLCMTSA-N 0 0 186.295 2.353 10 0 AEAERN CO[C@@H](C)C[C@H](O)CC1CCCC1 128236443 574041613 /nfs/dbraw/zinc/04/16/13/574041613.db2.gz SBRNWSLUGRZBGS-ONGXEEELSA-N 0 0 186.295 2.353 10 0 AEAERN CC[C@@H]1CS[C@@H](c2ccncc2)[NH2+]1 85347216 574041681 /nfs/dbraw/zinc/04/16/81/574041681.db2.gz DBLBAORFBBILEQ-ZJUUUORDSA-N 0 0 194.303 2.195 10 0 AEAERN Cc1cc(Cl)c(NN)cc1F 259296302 574041711 /nfs/dbraw/zinc/04/17/11/574041711.db2.gz QFPMRZQYNVIDTH-UHFFFAOYSA-N 0 0 174.606 2.073 10 0 AEAERN CC[C@H]1CS[C@H](c2ccncc2)[NH2+]1 85347215 574041785 /nfs/dbraw/zinc/04/17/85/574041785.db2.gz DBLBAORFBBILEQ-VHSXEESVSA-N 0 0 194.303 2.195 10 0 AEAERN C[C@@H]1CCN[C@@H](c2ccccn2)S1 85342297 574041811 /nfs/dbraw/zinc/04/18/11/574041811.db2.gz JMMCSLRGPXGFBY-PSASIEDQSA-N 0 0 194.303 2.195 10 0 AEAERN CCCNc1ncc(C)c(NCC)n1 87807466 574041865 /nfs/dbraw/zinc/04/18/65/574041865.db2.gz PNPJPQOQOHHIHR-UHFFFAOYSA-N 0 0 194.282 2.039 10 0 AEAERN C[C@H]1CCN[C@@H](C(F)(F)F)CS1 85343279 574041979 /nfs/dbraw/zinc/04/19/79/574041979.db2.gz GCSUMKOZKRZRLP-NTSWFWBYSA-N 0 0 199.241 2.032 10 0 AEAERN CC[C@H]1CS[C@H](c2cccnc2)[NH2+]1 85347312 574042007 /nfs/dbraw/zinc/04/20/07/574042007.db2.gz RLVHFXIGXFJHFE-VHSXEESVSA-N 0 0 194.303 2.195 10 0 AEAERN CC[C@H]1CSC[C@H](C(F)(F)F)N1 85347820 574042024 /nfs/dbraw/zinc/04/20/24/574042024.db2.gz XGRYHLXGMVNICK-NTSWFWBYSA-N 0 0 199.241 2.032 10 0 AEAERN C[C@@H]1CCN[C@H](c2ccccn2)S1 85342293 574042084 /nfs/dbraw/zinc/04/20/84/574042084.db2.gz JMMCSLRGPXGFBY-SCZZXKLOSA-N 0 0 194.303 2.195 10 0 AEAERN CC[C@H]1CS[C@@H](c2cccnc2)[NH2+]1 85347314 574042096 /nfs/dbraw/zinc/04/20/96/574042096.db2.gz RLVHFXIGXFJHFE-UWVGGRQHSA-N 0 0 194.303 2.195 10 0 AEAERN CC[C@H]1CS[C@H](CCSC)[NH2+]1 85347316 574042174 /nfs/dbraw/zinc/04/21/74/574042174.db2.gz XMFJKPQRWQQWOG-JGVFFNPUSA-N 0 0 191.365 2.181 10 0 AEAERN CO[C@H](C)C[C@@H](O)CC1CCCC1 128237111 574042205 /nfs/dbraw/zinc/04/22/05/574042205.db2.gz SBRNWSLUGRZBGS-MWLCHTKSSA-N 0 0 186.295 2.353 10 0 AEAERN CCCCOCCCCC(N)=S 49583174 574043334 /nfs/dbraw/zinc/04/33/34/574043334.db2.gz ZVQLQMLQHZPVTN-UHFFFAOYSA-N 0 0 189.324 2.260 10 0 AEAERN c1cnc(N[C@H]2Cc3ccccc32)nc1 393612688 574043396 /nfs/dbraw/zinc/04/33/96/574043396.db2.gz QNMIMJJBWTZWFK-NSHDSACASA-N 0 0 197.241 2.186 10 0 AEAERN c1cnc(N[C@@H]2Cc3ccccc32)nc1 393612683 574043566 /nfs/dbraw/zinc/04/35/66/574043566.db2.gz QNMIMJJBWTZWFK-LLVKDONJSA-N 0 0 197.241 2.186 10 0 AEAERN CC1(C)CSC[C@H](C(F)(F)F)N1 85350085 574043587 /nfs/dbraw/zinc/04/35/87/574043587.db2.gz USBFTEGOCKJTIQ-RXMQYKEDSA-N 0 0 199.241 2.032 10 0 AEAERN CC[C@H](C)OCCCCC(N)=S 49583203 574043600 /nfs/dbraw/zinc/04/36/00/574043600.db2.gz QLMGHEWJZZRFHD-QMMMGPOBSA-N 0 0 189.324 2.258 10 0 AEAERN CC1(C)CS[C@@H](c2ccccn2)N1 85349709 574043642 /nfs/dbraw/zinc/04/36/42/574043642.db2.gz MLBVCAAILUEMGJ-VIFPVBQESA-N 0 0 194.303 2.195 10 0 AEAERN CC1(C)CS[C@H](c2ccccn2)N1 85349708 574043843 /nfs/dbraw/zinc/04/38/43/574043843.db2.gz MLBVCAAILUEMGJ-SECBINFHSA-N 0 0 194.303 2.195 10 0 AEAERN CNc1cncc(SCC(C)C)n1 87849594 574047435 /nfs/dbraw/zinc/04/74/35/574047435.db2.gz KJQRQHPSVWJCRO-UHFFFAOYSA-N 0 0 197.307 2.266 10 0 AEAERN CC[C@H](C)Sc1ccnc(NC)n1 87849806 574047440 /nfs/dbraw/zinc/04/74/40/574047440.db2.gz XVLGMUWGDJJRSW-ZETCQYMHSA-N 0 0 197.307 2.409 10 0 AEAERN C/C=C/COc1cccc(NC)n1 87842927 574047529 /nfs/dbraw/zinc/04/75/29/574047529.db2.gz BRGBNBVDNFUEKU-ONEGZZNKSA-N 0 0 178.235 2.078 10 0 AEAERN CC[C@@H](C)Sc1nc(N)ncc1C 87849899 574047540 /nfs/dbraw/zinc/04/75/40/574047540.db2.gz OGGBREHQIPBTSK-SSDOTTSWSA-N 0 0 197.307 2.258 10 0 AEAERN Cc1csc(C(F)(F)F)n1 113185645 574047541 /nfs/dbraw/zinc/04/75/41/574047541.db2.gz LVEMMYKHPXAZQB-UHFFFAOYSA-N 0 0 167.155 2.470 10 0 AEAERN Cc1c(N)ncnc1SC(C)(C)C 87850051 574047561 /nfs/dbraw/zinc/04/75/61/574047561.db2.gz NJBQYRGLEAHRBM-UHFFFAOYSA-N 0 0 197.307 2.258 10 0 AEAERN CCSc1nc(C)nc(NC)c1C 87849995 574047569 /nfs/dbraw/zinc/04/75/69/574047569.db2.gz FHVMPEUKAKGZIB-UHFFFAOYSA-N 0 0 197.307 2.247 10 0 AEAERN CCCSc1cc(NC)ncn1 87850184 574047572 /nfs/dbraw/zinc/04/75/72/574047572.db2.gz HAJDQYBAMBYVEM-UHFFFAOYSA-N 0 0 183.280 2.020 10 0 AEAERN CCSc1ncnc(N)c1C(C)C 87849966 574047574 /nfs/dbraw/zinc/04/75/74/574047574.db2.gz RFUBSVCRRBEQRS-UHFFFAOYSA-N 0 0 197.307 2.294 10 0 AEAERN CCCNc1nccc(SC)n1 87851032 574047577 /nfs/dbraw/zinc/04/75/77/574047577.db2.gz JDVNSPSTWAXPCU-UHFFFAOYSA-N 0 0 183.280 2.020 10 0 AEAERN CC[C@@H](C)Sc1ccnc(NC)n1 87849805 574047583 /nfs/dbraw/zinc/04/75/83/574047583.db2.gz XVLGMUWGDJJRSW-SSDOTTSWSA-N 0 0 197.307 2.409 10 0 AEAERN CC[C@H](C)Sc1cc(N)nc(C)n1 87849870 574047608 /nfs/dbraw/zinc/04/76/08/574047608.db2.gz QWGVFDMIOVEYJR-LURJTMIESA-N 0 0 197.307 2.258 10 0 AEAERN CC(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C 113250307 574047619 /nfs/dbraw/zinc/04/76/19/574047619.db2.gz FPCOOIGSFASCES-VFRUTBLMSA-N 0 0 195.306 2.193 10 0 AEAERN CCNc1ncc(C)c(SCC)n1 87849940 574047685 /nfs/dbraw/zinc/04/76/85/574047685.db2.gz SWEOSAXGKHXPJE-UHFFFAOYSA-N 0 0 197.307 2.329 10 0 AEAERN CC(C)N(C=O)c1ccccc1 113213523 574047780 /nfs/dbraw/zinc/04/77/80/574047780.db2.gz YOSWNLCVLNIXDG-UHFFFAOYSA-N 0 0 163.220 2.058 10 0 AEAERN Cc1noc2c(C)c(N)ccc12 259301359 574047862 /nfs/dbraw/zinc/04/78/62/574047862.db2.gz DODLFYSFMKAKSI-UHFFFAOYSA-N 0 0 162.192 2.027 10 0 AEAERN O=C1CNc2cc(Cl)ccc2S1 259301639 574048016 /nfs/dbraw/zinc/04/80/16/574048016.db2.gz QVGLHQJVHFFLRC-UHFFFAOYSA-N 0 0 199.662 2.384 10 0 AEAERN CCON(CC)C(=O)/C=C/C(C)(C)C 1152133613 760666280 /nfs/dbraw/zinc/66/62/80/760666280.db2.gz MTFNKOOIEUMBED-CMDGGOBGSA-N 0 0 199.294 2.389 10 0 AEAERN CCC[C@@H]1C[C@H]1C(=O)N(CC)OCC 1152142388 760666995 /nfs/dbraw/zinc/66/69/95/760666995.db2.gz OSUJYVNJRBJDBT-NXEZZACHSA-N 0 0 199.294 2.223 10 0 AEAERN CC(C)=C(C)C(=O)N1CC2(CCC2)C1 1150289246 760667454 /nfs/dbraw/zinc/66/74/54/760667454.db2.gz JVJYJVBVZVKUNC-UHFFFAOYSA-N 0 0 193.290 2.355 10 0 AEAERN CCON(CC)C(=O)/C=C\C(C)(C)C 1152133614 760667623 /nfs/dbraw/zinc/66/76/23/760667623.db2.gz MTFNKOOIEUMBED-HJWRWDBZSA-N 0 0 199.294 2.389 10 0 AEAERN O=C(C=C1CCC1)N1CC2(CCC2)C1 1150290025 760669101 /nfs/dbraw/zinc/66/91/01/760669101.db2.gz WVPWTLKCYWQCTF-UHFFFAOYSA-N 0 0 191.274 2.109 10 0 AEAERN CCCCNc1nc(C)ncc1C 1154827336 760681694 /nfs/dbraw/zinc/68/16/94/760681694.db2.gz DHVGXKQFWYQCDU-UHFFFAOYSA-N 0 0 179.267 2.305 10 0 AEAERN CCCCNc1ncc(CC)cn1 1154827325 760682111 /nfs/dbraw/zinc/68/21/11/760682111.db2.gz CFIDQTQTUGQBGV-UHFFFAOYSA-N 0 0 179.267 2.251 10 0 AEAERN Cc1ccnc(NC2CC(F)C2)c1F 1154834469 760684944 /nfs/dbraw/zinc/68/49/44/760684944.db2.gz VDBDGWHKWODZPH-UHFFFAOYSA-N 0 0 198.216 2.442 10 0 AEAERN Cc1cc(F)cnc1NC1CC(F)C1 1154833202 760685125 /nfs/dbraw/zinc/68/51/25/760685125.db2.gz SMQABHQOVAAPEV-UHFFFAOYSA-N 0 0 198.216 2.442 10 0 AEAERN CCc1cnc(N[C@@H](C)CC)nc1 1157230819 760727255 /nfs/dbraw/zinc/72/72/55/760727255.db2.gz UJKLTLRSCQBBOD-QMMMGPOBSA-N 0 0 179.267 2.249 10 0 AEAERN CC[C@@H](C)Nc1cc(COC)ccn1 1157230434 760727281 /nfs/dbraw/zinc/72/72/81/760727281.db2.gz NKZJFPBUPAZMRL-SECBINFHSA-N 0 0 194.278 2.438 10 0 AEAERN CC[C@@H](C)Nc1ncnc(C)c1C 1157230598 760727660 /nfs/dbraw/zinc/72/76/60/760727660.db2.gz QANDXODBIDBDRC-SSDOTTSWSA-N 0 0 179.267 2.304 10 0 AEAERN CC[C@H](C)Nc1ccc(COC)cn1 1157238176 760727954 /nfs/dbraw/zinc/72/79/54/760727954.db2.gz MLHCJTNQCLKNRO-VIFPVBQESA-N 0 0 194.278 2.438 10 0 AEAERN CC[C@@H](C)Nc1ccc(COC)cn1 1157238175 760729575 /nfs/dbraw/zinc/72/95/75/760729575.db2.gz MLHCJTNQCLKNRO-SECBINFHSA-N 0 0 194.278 2.438 10 0 AEAERN CC[C@H](C)Nc1cc(COC)ccn1 1157230435 760731507 /nfs/dbraw/zinc/73/15/07/760731507.db2.gz NKZJFPBUPAZMRL-VIFPVBQESA-N 0 0 194.278 2.438 10 0 AEAERN CCc1cnc(N[C@H](C)CC)nc1 1157230818 760731535 /nfs/dbraw/zinc/73/15/35/760731535.db2.gz UJKLTLRSCQBBOD-MRVPVSSYSA-N 0 0 179.267 2.249 10 0 AEAERN CC[C@H](C)Nc1ncnc(C)c1C 1157230599 760731720 /nfs/dbraw/zinc/73/17/20/760731720.db2.gz QANDXODBIDBDRC-ZETCQYMHSA-N 0 0 179.267 2.304 10 0 AEAERN CCCNc1ccc(F)c(C)n1 1157358306 760734014 /nfs/dbraw/zinc/73/40/14/760734014.db2.gz PRNVPBVMUBJUIG-UHFFFAOYSA-N 0 0 168.215 2.351 10 0 AEAERN CCCNc1nc(C)ccc1OC 1157357533 760734241 /nfs/dbraw/zinc/73/42/41/760734241.db2.gz PKAUXIOYKDTYTN-UHFFFAOYSA-N 0 0 180.251 2.221 10 0 AEAERN CCCNc1nccc(C(F)F)n1 1157361790 760734981 /nfs/dbraw/zinc/73/49/81/760734981.db2.gz UWIMMLFTRYJMSH-UHFFFAOYSA-N 0 0 187.193 2.236 10 0 AEAERN CCCNc1nccc(C)c1F 1157357516 760736997 /nfs/dbraw/zinc/73/69/97/760736997.db2.gz OKVHCWYFJRQUQX-UHFFFAOYSA-N 0 0 168.215 2.351 10 0 AEAERN Cc1ccnc(NC2CSC2)c1F 1157576617 760760953 /nfs/dbraw/zinc/76/09/53/760760953.db2.gz MQQZNWGXFRDHKU-UHFFFAOYSA-N 0 0 198.266 2.056 10 0 AEAERN Cc1cc(F)cnc1NC1CSC1 1157577219 760767332 /nfs/dbraw/zinc/76/73/32/760767332.db2.gz WXPCSFMMYGLFGK-UHFFFAOYSA-N 0 0 198.266 2.056 10 0 AEAERN N#CNc1ncc(Cl)cc1Cl 1157820127 760773753 /nfs/dbraw/zinc/77/37/53/760773753.db2.gz OIIVZQOFUFFCHS-UHFFFAOYSA-N 0 0 188.017 2.281 10 0 AEAERN N#CNc1cc(Cl)cc(Cl)n1 1157820208 760775354 /nfs/dbraw/zinc/77/53/54/760775354.db2.gz SMRIAMGJMHITHA-UHFFFAOYSA-N 0 0 188.017 2.281 10 0 AEAERN C=C/C=C/CC(=O)N(C)CC1CCC1 1158173136 760800579 /nfs/dbraw/zinc/80/05/79/760800579.db2.gz MCAPVYCBQCNDCW-SNAWJCMRSA-N 0 0 193.290 2.377 10 0 AEAERN C=C/C=C\CC(=O)N(C)CC1CCC1 1158173135 760801149 /nfs/dbraw/zinc/80/11/49/760801149.db2.gz MCAPVYCBQCNDCW-PLNGDYQASA-N 0 0 193.290 2.377 10 0 AEAERN C/C=C\C(=O)Nc1nc(C(C)C)co1 1158687264 760803221 /nfs/dbraw/zinc/80/32/21/760803221.db2.gz DQNVFUOFSMXCSL-PLNGDYQASA-N 0 0 194.234 2.313 10 0 AEAERN C/C=C/C(=O)Nc1nc(C(C)C)co1 1158687265 760804342 /nfs/dbraw/zinc/80/43/42/760804342.db2.gz DQNVFUOFSMXCSL-SNAWJCMRSA-N 0 0 194.234 2.313 10 0 AEAERN CC(C)CNc1cccn2ccnc12 1161647057 760819856 /nfs/dbraw/zinc/81/98/56/760819856.db2.gz FUFDIFABLPZXEI-UHFFFAOYSA-N 0 0 189.262 2.402 10 0 AEAERN CCc1ncncc1NCC(C)(C)C 1161641212 760819896 /nfs/dbraw/zinc/81/98/96/760819896.db2.gz AVYLGQUUDPARDV-UHFFFAOYSA-N 0 0 193.294 2.497 10 0 AEAERN CCc1ncncc1NCC(C)C 1161651239 760820394 /nfs/dbraw/zinc/82/03/94/760820394.db2.gz WKHKRMASWVCDAR-UHFFFAOYSA-N 0 0 179.267 2.107 10 0 AEAERN CCc1cccc(NCC(F)F)n1 1161815483 760824619 /nfs/dbraw/zinc/82/46/19/760824619.db2.gz GHWVDRGKSMXESR-UHFFFAOYSA-N 0 0 186.205 2.321 10 0 AEAERN FCc1ccc(NCC2COC2)cc1 1161947260 760825932 /nfs/dbraw/zinc/82/59/32/760825932.db2.gz HDMHYRRCKHRBSL-UHFFFAOYSA-N 0 0 195.237 2.214 10 0 AEAERN CCCCNc1cncnc1CC 1162205864 760829394 /nfs/dbraw/zinc/82/93/94/760829394.db2.gz RYVMGTKCKJEUTP-UHFFFAOYSA-N 0 0 179.267 2.251 10 0 AEAERN Cc1cncnc1NC(C)(C)C1CC1 1162518241 760832001 /nfs/dbraw/zinc/83/20/01/760832001.db2.gz QXYGZGCHCFEONW-UHFFFAOYSA-N 0 0 191.278 2.386 10 0 AEAERN Fc1ccc(Oc2nccs2)cn1 1162867574 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2.115 10 0 AEAERN C[C@H]1C[C@H]1CN1Cc2ncsc2C1 1209433871 762313958 /nfs/dbraw/zinc/31/39/58/762313958.db2.gz WESRNQCGXHRRAD-YUMQZZPRSA-N 0 0 194.303 2.115 10 0 AEAERN C[C@H]1C[C@@H]1CN1Cc2ncsc2C1 1209433868 762314207 /nfs/dbraw/zinc/31/42/07/762314207.db2.gz WESRNQCGXHRRAD-JGVFFNPUSA-N 0 0 194.303 2.115 10 0 AEAERN C[C@@H]1CCC[C@H](OCCCO)[C@@H]1C 1217893380 763908256 /nfs/dbraw/zinc/90/82/56/763908256.db2.gz NPTRUWWTXUMMAC-MXWKQRLJSA-N 0 0 186.295 2.210 10 0 AEAERN C[C@@H]1[C@@H](OCCCO)CCC[C@H]1C 1217893383 763909515 /nfs/dbraw/zinc/90/95/15/763909515.db2.gz NPTRUWWTXUMMAC-VWYCJHECSA-N 0 0 186.295 2.210 10 0 AEAERN C[C@@H]1CCC[C@@H](OCCCO)[C@@H]1C 1217893378 763911483 /nfs/dbraw/zinc/91/14/83/763911483.db2.gz NPTRUWWTXUMMAC-GMTAPVOTSA-N 0 0 186.295 2.210 10 0 AEAERN C[C@H]1[C@H](C)CCC[C@H]1OCCCO 1217893382 763912247 /nfs/dbraw/zinc/91/22/47/763912247.db2.gz NPTRUWWTXUMMAC-OUAUKWLOSA-N 0 0 186.295 2.210 10 0 AEAERN CCCNC(=O)C1(C(C)C)CCC1 1220232851 764022108 /nfs/dbraw/zinc/02/21/08/764022108.db2.gz SKLPRCRMQDYVEM-UHFFFAOYSA-N 0 0 183.295 2.339 10 0 AEAERN CO[C@@H](C)c1cccnc1Cl 1222699464 764084429 /nfs/dbraw/zinc/08/44/29/764084429.db2.gz VULNTCBJEZOJLI-LURJTMIESA-N 0 0 171.627 2.442 10 0 AEAERN CO[C@H](C)c1cccnc1Cl 1222699472 764086025 /nfs/dbraw/zinc/08/60/25/764086025.db2.gz VULNTCBJEZOJLI-ZCFIWIBFSA-N 0 0 171.627 2.442 10 0 AEAERN CC(=O)[C@@H](C)OCc1ccsc1 1223335353 764157075 /nfs/dbraw/zinc/15/70/75/764157075.db2.gz FKHQAKOUNMOUFO-MRVPVSSYSA-N 0 0 184.260 2.242 10 0 AEAERN CC(=O)[C@H](C)OCc1ccsc1 1223335354 764157089 /nfs/dbraw/zinc/15/70/89/764157089.db2.gz FKHQAKOUNMOUFO-QMMMGPOBSA-N 0 0 184.260 2.242 10 0 AEAERN CC1(C)CC(COC2CC(=O)C2)C1 1224768199 764261392 /nfs/dbraw/zinc/26/13/92/764261392.db2.gz ALSQFBDGHIXXTI-UHFFFAOYSA-N 0 0 182.263 2.171 10 0 AEAERN CC(=O)[C@H](C)OCC1CC(C)(C)C1 1224769619 764263358 /nfs/dbraw/zinc/26/33/58/764263358.db2.gz PRABOBZRMSZGNW-VIFPVBQESA-N 0 0 184.279 2.417 10 0 AEAERN CC(=O)[C@@H](C)OCC1CC(C)(C)C1 1224769609 764263832 /nfs/dbraw/zinc/26/38/32/764263832.db2.gz PRABOBZRMSZGNW-SECBINFHSA-N 0 0 184.279 2.417 10 0 AEAERN C1=C[C@@H](Oc2cccnc2)CC1 1225288709 764300793 /nfs/dbraw/zinc/30/07/93/764300793.db2.gz RRDBHYGUDHUDIE-SECBINFHSA-N 0 0 161.204 2.179 10 0 AEAERN C1=C[C@H](Oc2cccnc2)CC1 1225288712 764302601 /nfs/dbraw/zinc/30/26/01/764302601.db2.gz RRDBHYGUDHUDIE-VIFPVBQESA-N 0 0 161.204 2.179 10 0 AEAERN Clc1ncc(O[C@H]2C=CCC2)cn1 1225376312 764308928 /nfs/dbraw/zinc/30/89/28/764308928.db2.gz ZDNRKDPUCHJTLV-ZETCQYMHSA-N 0 0 196.637 2.227 10 0 AEAERN Cc1ccncc1O[C@H]1C=CCC1 1225410989 764309633 /nfs/dbraw/zinc/30/96/33/764309633.db2.gz KFJRSWHQMKPKSC-JTQLQIEISA-N 0 0 175.231 2.487 10 0 AEAERN Clc1ncc(O[C@@H]2C=CCC2)cn1 1225376311 764309696 /nfs/dbraw/zinc/30/96/96/764309696.db2.gz ZDNRKDPUCHJTLV-SSDOTTSWSA-N 0 0 196.637 2.227 10 0 AEAERN Cc1ccncc1O[C@@H]1C=CCC1 1225410990 764309851 /nfs/dbraw/zinc/30/98/51/764309851.db2.gz KFJRSWHQMKPKSC-SNVBAGLBSA-N 0 0 175.231 2.487 10 0 AEAERN Fc1ncccc1O[C@@H]1C=CCC1 1226187644 764345658 /nfs/dbraw/zinc/34/56/58/764345658.db2.gz LQZUPGKPIRIRPK-MRVPVSSYSA-N 0 0 179.194 2.318 10 0 AEAERN Fc1ncccc1O[C@H]1C=CCC1 1226187646 764346290 /nfs/dbraw/zinc/34/62/90/764346290.db2.gz LQZUPGKPIRIRPK-QMMMGPOBSA-N 0 0 179.194 2.318 10 0 AEAERN Fc1ccc(O[C@@H]2C=CCC2)cn1 1226694561 764372535 /nfs/dbraw/zinc/37/25/35/764372535.db2.gz NBOWQNNALWWJIZ-MRVPVSSYSA-N 0 0 179.194 2.318 10 0 AEAERN Fc1ccc(O[C@H]2C=CCC2)cn1 1226694562 764373423 /nfs/dbraw/zinc/37/34/23/764373423.db2.gz NBOWQNNALWWJIZ-QMMMGPOBSA-N 0 0 179.194 2.318 10 0 AEAERN Oc1ccc(O[C@H]2C=CCC2)cc1 1227443181 764426359 /nfs/dbraw/zinc/42/63/59/764426359.db2.gz SQYFWNHYVDNUAJ-JTQLQIEISA-N 0 0 176.215 2.490 10 0 AEAERN Oc1ccc(O[C@@H]2C=CCC2)cc1 1227443184 764427463 /nfs/dbraw/zinc/42/74/63/764427463.db2.gz SQYFWNHYVDNUAJ-SNVBAGLBSA-N 0 0 176.215 2.490 10 0 AEAERN Oc1cccc(O[C@@H]2C=CCC2)c1 1227553216 764432127 /nfs/dbraw/zinc/43/21/27/764432127.db2.gz ARGCPQSCGRDAQD-SNVBAGLBSA-N 0 0 176.215 2.490 10 0 AEAERN Oc1cccc(O[C@H]2C=CCC2)c1 1227553214 764432337 /nfs/dbraw/zinc/43/23/37/764432337.db2.gz ARGCPQSCGRDAQD-JTQLQIEISA-N 0 0 176.215 2.490 10 0 AEAERN Fc1ccc(Cl)nc1OC1CC1 1227884804 764441193 /nfs/dbraw/zinc/44/11/93/764441193.db2.gz XHOLCXATLXJACT-UHFFFAOYSA-N 0 0 187.601 2.415 10 0 AEAERN CC(=O)c1ncccc1OC(C)C 1227978616 764444772 /nfs/dbraw/zinc/44/47/72/764444772.db2.gz OSEGFOORJSXPDV-UHFFFAOYSA-N 0 0 179.219 2.071 10 0 AEAERN CCc1ccc(CN2CCCO2)s1 1231498758 764531012 /nfs/dbraw/zinc/53/10/12/764531012.db2.gz FHOJFPFRHXIFMM-UHFFFAOYSA-N 0 0 197.303 2.448 10 0 AEAERN c1nscc1CN1CCC[C@@H]2C[C@@H]21 1232229838 764538613 /nfs/dbraw/zinc/53/86/13/764538613.db2.gz WOKYTIFPKRHDTP-ZJUUUORDSA-N 0 0 194.303 2.127 10 0 AEAERN c1nscc1CN1CCC[C@H]2C[C@H]21 1232229837 764540248 /nfs/dbraw/zinc/54/02/48/764540248.db2.gz WOKYTIFPKRHDTP-VHSXEESVSA-N 0 0 194.303 2.127 10 0 AEAERN Cc1scnc1CN1CC[C@@H]1C 1232204847 764540331 /nfs/dbraw/zinc/54/03/31/764540331.db2.gz ADCQRPMCUFTPTN-ZETCQYMHSA-N 0 0 182.292 2.046 10 0 AEAERN Cc1scnc1CN1CC[C@H]1C 1232204844 764541737 /nfs/dbraw/zinc/54/17/37/764541737.db2.gz ADCQRPMCUFTPTN-SSDOTTSWSA-N 0 0 182.292 2.046 10 0 AEAERN C[C@@H](Oc1nccc(Cl)n1)C1CC1 1234534978 764575888 /nfs/dbraw/zinc/57/58/88/764575888.db2.gz UUBCOHPXPSJGPX-ZCFIWIBFSA-N 0 0 198.653 2.307 10 0 AEAERN Clc1ccnc(OC2CC=CC2)n1 1234533978 764576960 /nfs/dbraw/zinc/57/69/60/764576960.db2.gz JOKODRIKZSFTPZ-UHFFFAOYSA-N 0 0 196.637 2.227 10 0 AEAERN CC[C@H](C)Oc1nccc(Cl)n1 1234533913 764577266 /nfs/dbraw/zinc/57/72/66/764577266.db2.gz JCUILBCUJGWNAN-LURJTMIESA-N 0 0 186.642 2.307 10 0 AEAERN Clc1ccnc(OC2CCC2)n1 1234533527 764577433 /nfs/dbraw/zinc/57/74/33/764577433.db2.gz FUDDNVRUVQDDRC-UHFFFAOYSA-N 0 0 184.626 2.061 10 0 AEAERN CC[C@@H](C)Oc1nccc(Cl)n1 1234533938 764577616 /nfs/dbraw/zinc/57/76/16/764577616.db2.gz JCUILBCUJGWNAN-ZCFIWIBFSA-N 0 0 186.642 2.307 10 0 AEAERN Clc1ccnc(OC2CCCC2)n1 1234535097 764577991 /nfs/dbraw/zinc/57/79/91/764577991.db2.gz YEUNISPPWSOASX-UHFFFAOYSA-N 0 0 198.653 2.451 10 0 AEAERN C[C@H](Oc1nccc(Cl)n1)C1CC1 1234534977 764578201 /nfs/dbraw/zinc/57/82/01/764578201.db2.gz UUBCOHPXPSJGPX-LURJTMIESA-N 0 0 198.653 2.307 10 0 AEAERN Cc1cnc(F)c(CN2CC[C@@H]2C)c1 1235327482 764598039 /nfs/dbraw/zinc/59/80/39/764598039.db2.gz FLEPEQYLXWKDJB-VIFPVBQESA-N 0 0 194.253 2.123 10 0 AEAERN Cc1cnc(F)c(CN2CC[C@H]2C)c1 1235327480 764600121 /nfs/dbraw/zinc/60/01/21/764600121.db2.gz FLEPEQYLXWKDJB-SECBINFHSA-N 0 0 194.253 2.123 10 0 AEAERN Cc1sccc1CN1CCCO1 1237964015 764710000 /nfs/dbraw/zinc/71/00/00/764710000.db2.gz BTVUOIBGCZBGDQ-UHFFFAOYSA-N 0 0 183.276 2.194 10 0 AEAERN Cc1cnc(CN(C)CCF)c(C)c1 1238438361 764724376 /nfs/dbraw/zinc/72/43/76/764724376.db2.gz TYTFOJSHPBUDMH-UHFFFAOYSA-N 0 0 196.269 2.100 10 0 AEAERN COc1ccc(-c2ccoc2)nc1F 1239688841 764818952 /nfs/dbraw/zinc/81/89/52/764818952.db2.gz IKAWFRHWOCQDFW-UHFFFAOYSA-N 0 0 193.177 2.489 10 0 AEAERN [NH3+]Cc1cccc(C2=CCCC2)n1 1239785585 764823561 /nfs/dbraw/zinc/82/35/61/764823561.db2.gz RPNFDXAIHKABSH-UHFFFAOYSA-N 0 0 174.247 2.108 10 0 AEAERN COc1c(F)cccc1-c1cn[nH]c1 1240241533 764841063 /nfs/dbraw/zinc/84/10/63/764841063.db2.gz UJUHSNRBINPEBB-UHFFFAOYSA-N 0 0 192.193 2.224 10 0 AEAERN Fc1cc(-c2cn[nH]c2)cc(F)c1F 1240241819 764841109 /nfs/dbraw/zinc/84/11/09/764841109.db2.gz ZLUTZQCDIHLYMP-UHFFFAOYSA-N 0 0 198.147 2.494 10 0 AEAERN Fc1cc(F)c(-c2cn[nH]c2)c(F)c1 1240241294 764841657 /nfs/dbraw/zinc/84/16/57/764841657.db2.gz LHLAHMWKSLVLKO-UHFFFAOYSA-N 0 0 198.147 2.494 10 0 AEAERN COCc1ccc(-c2cn[nH]c2)cc1 1240241393 764841677 /nfs/dbraw/zinc/84/16/77/764841677.db2.gz MKZULMSYXICKBJ-UHFFFAOYSA-N 0 0 188.230 2.223 10 0 AEAERN COc1c(C)cccc1-c1cn[nH]c1 1240241725 764842422 /nfs/dbraw/zinc/84/24/22/764842422.db2.gz UWGIIGUVZARJPL-UHFFFAOYSA-N 0 0 188.230 2.394 10 0 AEAERN COc1cc(C)ccc1-c1cn[nH]c1 1240241024 764842560 /nfs/dbraw/zinc/84/25/60/764842560.db2.gz DQIXETBHHHZZPK-UHFFFAOYSA-N 0 0 188.230 2.394 10 0 AEAERN COc1cc(-c2cn[nH]c2)ccc1F 1240241102 764842623 /nfs/dbraw/zinc/84/26/23/764842623.db2.gz GZJPEWNFTKTCQG-UHFFFAOYSA-N 0 0 192.193 2.224 10 0 AEAERN COc1cccc(-c2cn[nH]c2)c1C 1240241347 764842776 /nfs/dbraw/zinc/84/27/76/764842776.db2.gz PBEBUNVBHPCYQX-UHFFFAOYSA-N 0 0 188.230 2.394 10 0 AEAERN Fc1cc(F)c(-c2cn[nH]c2)cc1F 1240242138 764843982 /nfs/dbraw/zinc/84/39/82/764843982.db2.gz ICDUJTHDNPWGGB-UHFFFAOYSA-N 0 0 198.147 2.494 10 0 AEAERN COc1ccc(-c2cn[nH]c2)c(C)c1 1240242325 764844179 /nfs/dbraw/zinc/84/41/79/764844179.db2.gz NBLPZIOOIQSOEG-UHFFFAOYSA-N 0 0 188.230 2.394 10 0 AEAERN COCc1cccc(-c2cn[nH]c2)c1 1240242264 764844956 /nfs/dbraw/zinc/84/49/56/764844956.db2.gz PHCLSVMAYSAYCU-UHFFFAOYSA-N 0 0 188.230 2.223 10 0 AEAERN COc1cc(F)ccc1-c1cn[nH]c1 1240242723 764845063 /nfs/dbraw/zinc/84/50/63/764845063.db2.gz WMGKHQMZSGGTAQ-UHFFFAOYSA-N 0 0 192.193 2.224 10 0 AEAERN Fc1ccc(F)c(-c2cn[nH]c2)c1F 1240241885 764845804 /nfs/dbraw/zinc/84/58/04/764845804.db2.gz GJVUXACCUCOSAH-UHFFFAOYSA-N 0 0 198.147 2.494 10 0 AEAERN CN(C)c1cccc(-c2cn[nH]c2)c1 1240242802 764845887 /nfs/dbraw/zinc/84/58/87/764845887.db2.gz ZWOWNFKMEVRZRC-UHFFFAOYSA-N 0 0 187.246 2.143 10 0 AEAERN COc1cccc(C)c1-c1cn[nH]c1 1240242812 764846753 /nfs/dbraw/zinc/84/67/53/764846753.db2.gz GRBFQVOUPQCPFT-UHFFFAOYSA-N 0 0 188.230 2.394 10 0 AEAERN Cc1nccc(-c2cn[nH]c2)c1C 1240242005 764846821 /nfs/dbraw/zinc/84/68/21/764846821.db2.gz JFUDTISMPFYHKD-UHFFFAOYSA-N 0 0 173.219 2.089 10 0 AEAERN Cc1n[nH]cc1-c1ccc(=S)[nH]c1 1240521287 764861047 /nfs/dbraw/zinc/86/10/47/764861047.db2.gz MCIOKKYDUQMURL-UHFFFAOYSA-N 0 0 191.259 2.069 10 0 AEAERN COC(=O)c1ccc(C=C(C)C)nc1 1240632513 764865098 /nfs/dbraw/zinc/86/50/98/764865098.db2.gz JAZNXYNZSULVJF-UHFFFAOYSA-N 0 0 191.230 2.291 10 0 AEAERN C=Cc1ccc(F)cc1OC 1240829688 764888872 /nfs/dbraw/zinc/88/88/72/764888872.db2.gz QQZZSKODDPUPLH-UHFFFAOYSA-N 0 0 152.168 2.477 10 0 AEAERN C=Cc1ccc2c(c1)ncn2C 1240829947 764891352 /nfs/dbraw/zinc/89/13/52/764891352.db2.gz MLOMIXNKPCTOIW-UHFFFAOYSA-N 0 0 158.204 2.216 10 0 AEAERN C=Cc1ccc2c(c1)N(C)CCO2 1240830795 764893049 /nfs/dbraw/zinc/89/30/49/764893049.db2.gz HKSIBSYRPDXWPO-UHFFFAOYSA-N 0 0 175.231 2.158 10 0 AEAERN C=Cc1cccc2c1ncn2C 1240830361 764894716 /nfs/dbraw/zinc/89/47/16/764894716.db2.gz XDANUASIWOVJAL-UHFFFAOYSA-N 0 0 158.204 2.216 10 0 AEAERN C=Cc1cccc2ncn(C)c12 1240830808 764894771 /nfs/dbraw/zinc/89/47/71/764894771.db2.gz IBUCWSQMQFWSLX-UHFFFAOYSA-N 0 0 158.204 2.216 10 0 AEAERN C=Cc1cc(C(=O)OC)ccc1OC 1240831940 764897907 /nfs/dbraw/zinc/89/79/07/764897907.db2.gz QERJOPKVOQSURY-UHFFFAOYSA-N 0 0 192.214 2.125 10 0 AEAERN C=Cc1ccccc1N1CCOCC1 1240832056 764902181 /nfs/dbraw/zinc/90/21/81/764902181.db2.gz YQCZIVSLPFCQNK-UHFFFAOYSA-N 0 0 189.258 2.166 10 0 AEAERN Cc1cncc(-c2ccc(O)cc2)n1 1241060695 764948423 /nfs/dbraw/zinc/94/84/23/764948423.db2.gz IMXZVYZTSKAMKF-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1cncc(-c2cccc(O)c2)n1 1240924379 764953689 /nfs/dbraw/zinc/95/36/89/764953689.db2.gz ZYEIXNABOXDLGM-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1cncc(-c2ccccc2N)n1 1241057608 764953711 /nfs/dbraw/zinc/95/37/11/764953711.db2.gz GMXOAHGKBXTMNJ-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1cnccc1-c1ccc[nH]c1=O 1241113943 764955937 /nfs/dbraw/zinc/95/59/37/764955937.db2.gz URDVWBSGLCBSLK-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Nc1ccccc1-c1ccc[nH]c1=O 1241121807 764957638 /nfs/dbraw/zinc/95/76/38/764957638.db2.gz SAIVTOXDAKGIFP-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Cc1ncccc1-c1ccc[nH]c1=O 1241119190 764958206 /nfs/dbraw/zinc/95/82/06/764958206.db2.gz MIMHGHLLMVLHHO-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1ccc(-c2ccc[nH]c2=O)nc1 1241102318 764958501 /nfs/dbraw/zinc/95/85/01/764958501.db2.gz YSXKPUPURQPLBH-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1cncc(-c2ccc[nH]c2=O)c1 1241112780 764958916 /nfs/dbraw/zinc/95/89/16/764958916.db2.gz VGKBXWVJCSLVST-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1ccncc1-c1ccc[nH]c1=O 1241113048 764963190 /nfs/dbraw/zinc/96/31/90/764963190.db2.gz BDYHJILOSDPTCL-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1cnc(-c2cncs2)cc1N 1241496538 764969325 /nfs/dbraw/zinc/96/93/25/764969325.db2.gz KFYHIWURYICAAL-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1cncc(-c2ccc(N)cc2)n1 1241538141 764972556 /nfs/dbraw/zinc/97/25/56/764972556.db2.gz XRBNLNDHYVXAQD-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN [NH3+]Cc1cccc(C2=CCCCC2)n1 1241714905 764981684 /nfs/dbraw/zinc/98/16/84/764981684.db2.gz OCUDPTGJDZMRKM-UHFFFAOYSA-N 0 0 188.274 2.498 10 0 AEAERN Cc1cnc(-c2cscn2)c(C)n1 1241887679 764994047 /nfs/dbraw/zinc/99/40/47/764994047.db2.gz ORDLAXPSXNLYCO-UHFFFAOYSA-N 0 0 191.259 2.217 10 0 AEAERN Cc1cnc(-c2cscn2)cc1N 1241888997 764994444 /nfs/dbraw/zinc/99/44/44/764994444.db2.gz SVARCEMPUTYALI-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1cnc(C)c(-c2cscn2)n1 1241888133 764999176 /nfs/dbraw/zinc/99/91/76/764999176.db2.gz ZVVJYKGTIHBDSX-UHFFFAOYSA-N 0 0 191.259 2.217 10 0 AEAERN CCc1cccc(-c2ncc[nH]2)n1 1242018675 765009901 /nfs/dbraw/zinc/00/99/01/765009901.db2.gz OFNXKMMNIDYRJO-UHFFFAOYSA-N 0 0 173.219 2.034 10 0 AEAERN Cc1cnc(-c2nccs2)cc1N 1242895364 765056712 /nfs/dbraw/zinc/05/67/12/765056712.db2.gz USIXMPKLHUGXHA-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Fc1cnc(-c2nccs2)c(F)c1 1242896256 765056904 /nfs/dbraw/zinc/05/69/04/765056904.db2.gz QPYGSTKDOKLOOS-UHFFFAOYSA-N 0 0 198.197 2.483 10 0 AEAERN Cc1cc2[nH]c(CO)nc2cc1Cl 1247013925 765346474 /nfs/dbraw/zinc/34/64/74/765346474.db2.gz GMLFESJFJYDMBK-UHFFFAOYSA-N 0 0 196.637 2.017 10 0 AEAERN CCc1ccnn1Cc1ccccc1 1249932374 765385045 /nfs/dbraw/zinc/38/50/45/765385045.db2.gz DMUHOHHFSMTRQY-UHFFFAOYSA-N 0 0 186.258 2.494 10 0 AEAERN COCCc1ccc(Cl)c(O)c1 1249938172 765385841 /nfs/dbraw/zinc/38/58/41/765385841.db2.gz MGRAUXQUJUTVHH-UHFFFAOYSA-N 0 0 186.638 2.235 10 0 AEAERN COCCc1cccc(O)c1Cl 1249938054 765386049 /nfs/dbraw/zinc/38/60/49/765386049.db2.gz JPCWHASTEQEYKD-UHFFFAOYSA-N 0 0 186.638 2.235 10 0 AEAERN COCCc1csc(C(C)=O)c1 1249937562 765386173 /nfs/dbraw/zinc/38/61/73/765386173.db2.gz AKYBIHNRERFKDA-UHFFFAOYSA-N 0 0 184.260 2.140 10 0 AEAERN COCCc1ccc(Cl)cc1N 1249938184 765388406 /nfs/dbraw/zinc/38/84/06/765388406.db2.gz NAKMVKAXHYREGB-UHFFFAOYSA-N 0 0 185.654 2.111 10 0 AEAERN COCCc1cc(Cl)ccc1N 1249938252 765389204 /nfs/dbraw/zinc/38/92/04/765389204.db2.gz RSDSMSXMSVWXRR-UHFFFAOYSA-N 0 0 185.654 2.111 10 0 AEAERN COCCc1ccccc1C(C)=O 1249938765 765389272 /nfs/dbraw/zinc/38/92/72/765389272.db2.gz MQTBZDMCEXJOMW-UHFFFAOYSA-N 0 0 178.231 2.078 10 0 AEAERN CCc1cc(CCOC)ccc1N 1249939749 765391382 /nfs/dbraw/zinc/39/13/82/765391382.db2.gz CHDSYMOJNBHZDJ-UHFFFAOYSA-N 0 0 179.263 2.020 10 0 AEAERN COCCc1cc(C(C)=O)ccc1F 1249939255 765391504 /nfs/dbraw/zinc/39/15/04/765391504.db2.gz VMBPSQKVFOXSDB-UHFFFAOYSA-N 0 0 196.221 2.217 10 0 AEAERN CC(C)=CCc1cnc(C)nc1 1249952360 765411284 /nfs/dbraw/zinc/41/12/84/765411284.db2.gz SZEUWNPVFCTWNN-UHFFFAOYSA-N 0 0 162.236 2.294 10 0 AEAERN CC(C)CCc1ccc(=O)[nH]c1 1249964316 765419822 /nfs/dbraw/zinc/41/98/22/765419822.db2.gz FZYRYRQLJKCQBI-UHFFFAOYSA-N 0 0 165.236 2.376 10 0 AEAERN CC(C)CCc1cnc(N)c(F)c1 1249965200 765424255 /nfs/dbraw/zinc/42/42/55/765424255.db2.gz AGFCRJPOIGDJFP-UHFFFAOYSA-N 0 0 182.242 2.392 10 0 AEAERN CC(C)CCc1cncc(O)c1 1249964815 765426603 /nfs/dbraw/zinc/42/66/03/765426603.db2.gz RBZBMCJBJDRGFZ-UHFFFAOYSA-N 0 0 165.236 2.376 10 0 AEAERN CCCc1cc(F)ccc1CO 1249968426 765428983 /nfs/dbraw/zinc/42/89/83/765428983.db2.gz LDKUNQUZXWTWOF-UHFFFAOYSA-N 0 0 168.211 2.271 10 0 AEAERN CCN(CC)C(=O)CC=C(C)C 1250008490 765438055 /nfs/dbraw/zinc/43/80/55/765438055.db2.gz CODYSGJCXIJLAL-UHFFFAOYSA-N 0 0 169.268 2.211 10 0 AEAERN OCc1cc(C2CC2)ccc1F 1250032841 765443328 /nfs/dbraw/zinc/44/33/28/765443328.db2.gz KWUQRNHILGCCOK-UHFFFAOYSA-N 0 0 166.195 2.195 10 0 AEAERN COc1ccc(C2CC2)cc1CO 1250032265 765445676 /nfs/dbraw/zinc/44/56/76/765445676.db2.gz HKNNOYQJBPLZRT-UHFFFAOYSA-N 0 0 178.231 2.065 10 0 AEAERN COC(=O)c1cc(C2CC2)ccc1F 1250035045 765448494 /nfs/dbraw/zinc/44/84/94/765448494.db2.gz VIKRRADCIPESBR-UHFFFAOYSA-N 0 0 194.205 2.490 10 0 AEAERN OCc1ccc(F)cc1CC1CC1 1250037483 765454163 /nfs/dbraw/zinc/45/41/63/765454163.db2.gz VMMFBUGUXDSLBB-UHFFFAOYSA-N 0 0 180.222 2.271 10 0 AEAERN CC(C)=CCC(=O)OC(C)C 1250085312 766905542 /nfs/dbraw/zinc/90/55/42/766905542.db2.gz DVGDQMSLENPDGR-UHFFFAOYSA-N 0 0 156.225 2.294 10 0 AEAERN Fc1ccc(F)c(Cc2ncc[nH]2)c1 1250091374 766909365 /nfs/dbraw/zinc/90/93/65/766909365.db2.gz MMHOABQXILQZAJ-UHFFFAOYSA-N 0 0 194.184 2.279 10 0 AEAERN O=c1[nH]cccc1CCC(F)(F)F 1250148565 766966729 /nfs/dbraw/zinc/96/67/29/766966729.db2.gz AZZNKOOCURSWLP-UHFFFAOYSA-N 0 0 191.152 2.282 10 0 AEAERN O=c1[nH]cccc1CC1CCC1 1250142897 766974676 /nfs/dbraw/zinc/97/46/76/766974676.db2.gz NCVASAHXOWFIKQ-UHFFFAOYSA-N 0 0 163.220 2.130 10 0 AEAERN Fc1ccc(CCc2cn[nH]c2)cc1 1250324611 767027465 /nfs/dbraw/zinc/02/74/65/767027465.db2.gz JWXGFCGHCKVJDS-UHFFFAOYSA-N 0 0 190.221 2.334 10 0 AEAERN Cc1cccnc1-c1ccc[nH]c1=O 1250469930 767059693 /nfs/dbraw/zinc/05/96/93/767059693.db2.gz FZVWQPPYNZIKOC-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1cccc(-c2ccc[nH]c2=O)n1 1250601537 767072450 /nfs/dbraw/zinc/07/24/50/767072450.db2.gz NJLKNLRTCUNYCI-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1nc(N)ncc1-c1ccsc1 1250593044 767072842 /nfs/dbraw/zinc/07/28/42/767072842.db2.gz UFHZNHREQWRJCF-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Fc1ccc(F)c(-c2cn[nH]c2)c1 1250574039 767073920 /nfs/dbraw/zinc/07/39/20/767073920.db2.gz OTEYTDXYMYRDRS-UHFFFAOYSA-N 0 0 180.157 2.355 10 0 AEAERN Cc1ccc(-c2ccc[nH]c2=O)cn1 1250643795 767077848 /nfs/dbraw/zinc/07/78/48/767077848.db2.gz SLUQNVSRUNZFTR-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1cc(-c2ccc[nH]c2=O)ccn1 1250645869 767078484 /nfs/dbraw/zinc/07/84/84/767078484.db2.gz LSHGUMXXWARTQZ-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1nnc(-c2c(C)cccc2F)o1 1253375393 767206908 /nfs/dbraw/zinc/20/69/08/767206908.db2.gz CNIRLUNYWBFVJY-UHFFFAOYSA-N 0 0 192.193 2.493 10 0 AEAERN Cc1nnc([C@@H]2C[C@H]2C(F)(F)F)o1 1253409334 767210755 /nfs/dbraw/zinc/21/07/55/767210755.db2.gz CFWDDYFCKZOIPA-RFZPGFLSSA-N 0 0 192.140 2.044 10 0 AEAERN Cc1nnc(CCCC(C)C)o1 1253397904 767212262 /nfs/dbraw/zinc/21/22/62/767212262.db2.gz WIOGDEYIYRCKJY-UHFFFAOYSA-N 0 0 168.240 2.357 10 0 AEAERN Cc1nnc([C@H]2CCC2(C)C)o1 1253431185 767215501 /nfs/dbraw/zinc/21/55/01/767215501.db2.gz WPXPASYYNLDGAL-SSDOTTSWSA-N 0 0 166.224 2.282 10 0 AEAERN Cc1nnc([C@@H]2CCC2(C)C)o1 1253431186 767216383 /nfs/dbraw/zinc/21/63/83/767216383.db2.gz WPXPASYYNLDGAL-ZETCQYMHSA-N 0 0 166.224 2.282 10 0 AEAERN C[C@H]1[C@@H]2CC[C@@]1(C)C(=O)C2 70451051 560048953 /nfs/dbraw/zinc/04/89/53/560048953.db2.gz BDRPBIDNZZQJOI-LKEWCRSYSA-N 0 0 138.210 2.012 10 0 biogenic,in-vitro AEAERN CCCCCC1=CCC(=O)O1 103545523 560052187 /nfs/dbraw/zinc/05/21/87/560052187.db2.gz PGAMJXWVUGDLRA-UHFFFAOYSA-N 0 0 154.209 2.398 10 0 biogenic,in-vitro AEAERN CC(C)[C@@H]1C=C[C@@H](C)CC1=O 32135312 560089346 /nfs/dbraw/zinc/08/93/46/560089346.db2.gz GPUOMCZFJZZLJT-BDAKNGLRSA-N 0 0 152.237 2.424 10 0 biogenic,in-vitro AEAERN O=C1CCC2(CCCC2)C1 32214266 560089289 /nfs/dbraw/zinc/08/92/89/560089289.db2.gz APNPZXFYPYMTJD-UHFFFAOYSA-N 0 0 138.210 2.300 10 0 biogenic,in-vitro AEAERN C[C@@H]1C[C@H]2C[C@@H]([C@@H]1O)C2(C)C 32229653 560089300 /nfs/dbraw/zinc/08/93/00/560089300.db2.gz DODVNKCHFWJRHU-RYPBNFRJSA-N 0 0 154.253 2.049 10 0 biogenic,in-vitro AEAERN CC1=C[C@@H](O)C(C)(C)CC1 32228846 560089344 /nfs/dbraw/zinc/08/93/44/560089344.db2.gz NIIOBBZRLOQONL-MRVPVSSYSA-N 0 0 140.226 2.114 10 0 biogenic,in-vitro AEAERN CC1=CC[C@H](C(C)(C)O)C=C1 14588386 560101956 /nfs/dbraw/zinc/10/19/56/560101956.db2.gz FQEXRDMYDXBXEO-SECBINFHSA-N 0 0 152.237 2.280 10 0 biogenic AEAERN c1ccc2c(c1)[nH]c1cncnc12 253023 560177717 /nfs/dbraw/zinc/17/77/17/560177717.db2.gz IADMQABXGAXDPF-UHFFFAOYSA-N 0 0 169.187 2.111 10 0 in-vitro AEAERN CC1=CC[C@H]2C(=O)[C@@H]1C2(C)C 967564 560179980 /nfs/dbraw/zinc/17/99/80/560179980.db2.gz IECBDTGWSQNQID-JGVFFNPUSA-N 0 0 150.221 2.178 10 0 in-vitro AEAERN CC1=CC[C@@H]2C(=O)[C@H]1C2(C)C 967565 560180014 /nfs/dbraw/zinc/18/00/14/560180014.db2.gz IECBDTGWSQNQID-SFYZADRCSA-N 0 0 150.221 2.178 10 0 biogenic,in-vitro AEAERN CC(C)[C@]12C[C@H](O)[C@@H](C)[C@H]1C2 1599727 560182928 /nfs/dbraw/zinc/18/29/28/560182928.db2.gz DZVXRFMREAADPP-JXUBOQSCSA-N 0 0 154.253 2.049 10 0 in-vitro AEAERN S=CNc1ccccc1 2031576 560185938 /nfs/dbraw/zinc/18/59/38/560185938.db2.gz UNRRVOATHRPYDX-UHFFFAOYSA-N 0 0 137.207 2.056 10 0 in-vitro AEAERN CC[C@@]1(C)CCSC1=O 4654899 560199337 /nfs/dbraw/zinc/19/93/37/560199337.db2.gz PSYRIJIIQVMBLR-ZETCQYMHSA-N 0 0 144.239 2.066 10 0 in-vitro AEAERN CC[C@]1(C)CCSC1=O 4654898 560199344 /nfs/dbraw/zinc/19/93/44/560199344.db2.gz PSYRIJIIQVMBLR-SSDOTTSWSA-N 0 0 144.239 2.066 10 0 in-vitro AEAERN CC(C)[C@@H]1C=C[C@](C)(O)CC1 6020304 560204406 /nfs/dbraw/zinc/20/44/06/560204406.db2.gz IZXYHAXVIZHGJV-ZJUUUORDSA-N 0 0 154.253 2.360 10 0 biogenic,in-vitro AEAERN OSc1ccccc1 6116143 560205315 /nfs/dbraw/zinc/20/53/15/560205315.db2.gz NBADVBNRRHVIAO-UHFFFAOYSA-N 0 0 126.180 2.252 10 0 in-vitro AEAERN Cc1cc2cc(O)cc(=O)c-2c(C)[nH]1 6522156 560205991 /nfs/dbraw/zinc/20/59/91/560205991.db2.gz NFCOBHKSUZDTLE-UHFFFAOYSA-N 0 0 189.214 2.263 10 0 in-vitro AEAERN CC1(C)CC=C[C@@]2(C)OC(=O)C=C12 13307872 560214118 /nfs/dbraw/zinc/21/41/18/560214118.db2.gz VGQSMHFBCKKQHB-LLVKDONJSA-N 0 0 178.231 2.214 10 0 biogenic,in-vitro AEAERN C[C@]12CC[C@H](Cc3cc(O)ccc31)O2 13380028 560215758 /nfs/dbraw/zinc/21/57/58/560215758.db2.gz ZQFOIAZVGMJWKM-PWSUYJOCSA-N 0 0 190.242 2.343 10 0 biogenic,in-vitro AEAERN CO[C@@H]1CCC(=O)c2cccc(O)c21 13459996 560216920 /nfs/dbraw/zinc/21/69/20/560216920.db2.gz DLAOANUIPRSQCX-SNVBAGLBSA-N 0 0 192.214 2.056 10 0 biogenic,in-vitro AEAERN CCCCCC(=O)CCC(=O)OC 14619872 560223351 /nfs/dbraw/zinc/22/33/51/560223351.db2.gz IOSJUDSPZQHSKG-UHFFFAOYSA-N 0 0 186.251 2.089 10 0 biogenic,in-vitro AEAERN C/C=C/c1cc(OC)ccc1O 14679986 560224234 /nfs/dbraw/zinc/22/42/34/560224234.db2.gz CNTCZYAGRDSWBW-ONEGZZNKSA-N 0 0 164.204 2.434 10 0 in-vitro AEAERN CN(CC(F)(F)F)C(C)(C)C 17403711 1169057326 /nfs/dbraw/zinc/05/73/26/1169057326.db2.gz LYSYRFLOFDHIOC-UHFFFAOYSA-N 0 0 169.190 2.279 10 0 AEAERN CC(C)C[C@@H](C)Oc1ccc(N)cn1 19280860 1169057798 /nfs/dbraw/zinc/05/77/98/1169057798.db2.gz MSHQETXNFVYKKF-SECBINFHSA-N 0 0 194.278 2.477 10 0 AEAERN CC(C)C[C@@H](C)Oc1ncccc1N 19268392 1169058178 /nfs/dbraw/zinc/05/81/78/1169058178.db2.gz NMBFSPLUPAYWMK-SECBINFHSA-N 0 0 194.278 2.477 10 0 AEAERN CC(C)C[C@H](C)Oc1ccc(N)cn1 19280862 1169058622 /nfs/dbraw/zinc/05/86/22/1169058622.db2.gz MSHQETXNFVYKKF-VIFPVBQESA-N 0 0 194.278 2.477 10 0 AEAERN c1ccc(OC2CC2)cc1 18859059 1169059054 /nfs/dbraw/zinc/05/90/54/1169059054.db2.gz DICVNOJSEPSZIC-UHFFFAOYSA-N 0 0 134.178 2.228 10 0 AEAERN CC(C)C[C@H](C)Oc1ncccc1N 19268394 1169059221 /nfs/dbraw/zinc/05/92/21/1169059221.db2.gz NMBFSPLUPAYWMK-VIFPVBQESA-N 0 0 194.278 2.477 10 0 AEAERN c1ccc2nscc2c1 26479250 1169062001 /nfs/dbraw/zinc/06/20/01/1169062001.db2.gz JGQPSDIWMGNAPE-UHFFFAOYSA-N 0 0 135.191 2.296 10 0 AEAERN CCOC(=O)[C@@H](C)C1=CCCC1 28536046 1169064156 /nfs/dbraw/zinc/06/41/56/1169064156.db2.gz NJVLDMZUMFSBHX-QMMMGPOBSA-N 0 0 168.236 2.296 10 0 AEAERN C=Cc1ccc(CC(=O)OCC)cc1 32137576 1169064794 /nfs/dbraw/zinc/06/47/94/1169064794.db2.gz UPKOVKMNWQZTFB-UHFFFAOYSA-N 0 0 190.242 2.435 10 0 AEAERN Cc1cc(C)c(C)cn1 31484307 1169064934 /nfs/dbraw/zinc/06/49/34/1169064934.db2.gz MNDSSKADVGDFDF-UHFFFAOYSA-N 0 0 121.183 2.007 10 0 AEAERN C=C[C@@H](CCCC)OC 32218560 1169065597 /nfs/dbraw/zinc/06/55/97/1169065597.db2.gz IAWBTGWBVHANJP-QMMMGPOBSA-N 0 0 128.215 2.378 10 0 AEAERN Cc1ccnc(-c2ccccc2)n1 32209166 1169066252 /nfs/dbraw/zinc/06/62/52/1169066252.db2.gz XPENFJAKMNONFL-UHFFFAOYSA-N 0 0 170.215 2.452 10 0 AEAERN O=Cc1cc[nH]c1-c1ccccc1 32210261 1169066704 /nfs/dbraw/zinc/06/67/04/1169066704.db2.gz AXOISOXQFSFKBI-UHFFFAOYSA-N 0 0 171.199 2.494 10 0 AEAERN CCc1cc(C)cnc1C 32166578 1169066755 /nfs/dbraw/zinc/06/67/55/1169066755.db2.gz PPSBKGGGGXWSAB-UHFFFAOYSA-N 0 0 135.210 2.261 10 0 AEAERN C=C[C@H](CCCC)OC 32218561 1169066819 /nfs/dbraw/zinc/06/68/19/1169066819.db2.gz IAWBTGWBVHANJP-MRVPVSSYSA-N 0 0 128.215 2.378 10 0 AEAERN CCOC(=O)[C@H](C)C1=CCCC1 28536049 1169066862 /nfs/dbraw/zinc/06/68/62/1169066862.db2.gz NJVLDMZUMFSBHX-MRVPVSSYSA-N 0 0 168.236 2.296 10 0 AEAERN C=C(C)c1nc(C)cnc1C 32189413 1169066989 /nfs/dbraw/zinc/06/69/89/1169066989.db2.gz AABXWEMFIZXICZ-UHFFFAOYSA-N 0 0 148.209 2.127 10 0 AEAERN Cc1nn(C)cc1-c1ccccc1 34129131 1169067751 /nfs/dbraw/zinc/06/77/51/1169067751.db2.gz QGDWYZUJWYDEFH-UHFFFAOYSA-N 0 0 172.231 2.396 10 0 AEAERN COC(=O)Cc1cc(C)sc1C 34257216 1169068163 /nfs/dbraw/zinc/06/81/63/1169068163.db2.gz GXUSFZWFMINJFP-UHFFFAOYSA-N 0 0 184.260 2.080 10 0 AEAERN O=C1CCCCN1C1CCCCC1 34242089 1169068226 /nfs/dbraw/zinc/06/82/26/1169068226.db2.gz JPYDXBFCXGMKEA-UHFFFAOYSA-N 0 0 181.279 2.332 10 0 AEAERN CCO[C@H](C)COc1ccc(O)cc1 34195928 1169068395 /nfs/dbraw/zinc/06/83/95/1169068395.db2.gz UUJKRXCEMTXEGI-SECBINFHSA-N 0 0 196.246 2.196 10 0 AEAERN COc1cc(OC)c2cccnc2c1 33835507 1169069657 /nfs/dbraw/zinc/06/96/57/1169069657.db2.gz VJTOFBWZDVURPG-UHFFFAOYSA-N 0 0 189.214 2.252 10 0 AEAERN COC(=O)c1ccc([C@H](C)OC)cc1 34328011 1169069892 /nfs/dbraw/zinc/06/98/92/1169069892.db2.gz LDCVQGJHEUMSDN-QMMMGPOBSA-N 0 0 194.230 2.181 10 0 AEAERN COC(=O)c1ccc([C@@H](C)OC)cc1 34328012 1169070617 /nfs/dbraw/zinc/07/06/17/1169070617.db2.gz LDCVQGJHEUMSDN-MRVPVSSYSA-N 0 0 194.230 2.181 10 0 AEAERN CCO[C@@H](C)COc1ccc(O)cc1 34195927 1169070650 /nfs/dbraw/zinc/07/06/50/1169070650.db2.gz UUJKRXCEMTXEGI-VIFPVBQESA-N 0 0 196.246 2.196 10 0 AEAERN Cc1cccc(O)c1OC(C)C 34479086 1169071611 /nfs/dbraw/zinc/07/16/11/1169071611.db2.gz UXZXQDDOUZKHGR-UHFFFAOYSA-N 0 0 166.220 2.488 10 0 AEAERN CC(C)c1ccoc1 34354045 1169071715 /nfs/dbraw/zinc/07/17/15/1169071715.db2.gz DAAARXMHBLJQPU-UHFFFAOYSA-N 0 0 110.156 2.403 10 0 AEAERN CCOC(=O)[C@@H](C)c1ccccc1O 34497828 1169071888 /nfs/dbraw/zinc/07/18/88/1169071888.db2.gz GRLANJXOCTZVRV-QMMMGPOBSA-N 0 0 194.230 2.059 10 0 AEAERN CCc1cc(OC)cc(C(=O)OC)c1 34383328 1169072287 /nfs/dbraw/zinc/07/22/87/1169072287.db2.gz VNXJEHQAHHWJIT-UHFFFAOYSA-N 0 0 194.230 2.044 10 0 AEAERN CCOC(=O)[C@H](C)c1ccccc1O 34497829 1169072998 /nfs/dbraw/zinc/07/29/98/1169072998.db2.gz GRLANJXOCTZVRV-MRVPVSSYSA-N 0 0 194.230 2.059 10 0 AEAERN CCCCCO[C@H](C)CC(=O)OC 35740864 1169073250 /nfs/dbraw/zinc/07/32/50/1169073250.db2.gz BWTBFKVXOVTOQM-SECBINFHSA-N 0 0 188.267 2.145 10 0 AEAERN COC(=O)C[C@@H](C)Oc1ccccc1 35740251 1169074410 /nfs/dbraw/zinc/07/44/10/1169074410.db2.gz BGXWFTONCZZILK-SECBINFHSA-N 0 0 194.230 2.017 10 0 AEAERN Cc1cccc(-c2ccc[nH]c2=O)c1 36459178 1169074417 /nfs/dbraw/zinc/07/44/17/1169074417.db2.gz SXIHWFMNXAJATB-UHFFFAOYSA-N 0 0 185.226 2.350 10 0 AEAERN COC(=O)C[C@@H](C)OCCC(C)C 35740497 1169075024 /nfs/dbraw/zinc/07/50/24/1169075024.db2.gz AOBCBXQPEZCPTJ-SECBINFHSA-N 0 0 188.267 2.001 10 0 AEAERN c1cnc2[nH]cc(-c3cncnc3)c2c1 36420351 1169076204 /nfs/dbraw/zinc/07/62/04/1169076204.db2.gz CWZZQGRKFFBOKD-UHFFFAOYSA-N 0 0 196.213 2.020 10 0 AEAERN C[C@@H](Cc1ccco1)NCC(F)F 38092997 1169077127 /nfs/dbraw/zinc/07/71/27/1169077127.db2.gz OYCYBBVVDYKULP-ZETCQYMHSA-N 0 0 189.205 2.065 10 0 AEAERN C[C@H](Cc1ccco1)NCC(F)F 38092998 1169078448 /nfs/dbraw/zinc/07/84/48/1169078448.db2.gz OYCYBBVVDYKULP-SSDOTTSWSA-N 0 0 189.205 2.065 10 0 AEAERN CCOc1cccc(-c2ncc[nH]2)c1 37974131 1169079491 /nfs/dbraw/zinc/07/94/91/1169079491.db2.gz KNQGPABRKLGNFP-UHFFFAOYSA-N 0 0 188.230 2.475 10 0 AEAERN CCCCNC(=O)OCCCC 38671596 1169082904 /nfs/dbraw/zinc/08/29/04/1169082904.db2.gz MVNKBMJGPYEMDH-UHFFFAOYSA-N 0 0 173.256 2.313 10 0 AEAERN O=c1[nH]cccc1-c1ccsc1 38434151 1169084568 /nfs/dbraw/zinc/08/45/68/1169084568.db2.gz LHJROEGZIJROJI-UHFFFAOYSA-N 0 0 177.228 2.103 10 0 AEAERN CCCCOC(=O)N(CC)CC 38416078 1169084659 /nfs/dbraw/zinc/08/46/59/1169084659.db2.gz MUABLCDNKPGCGE-UHFFFAOYSA-N 0 0 173.256 2.265 10 0 AEAERN O=c1[nH]cccc1-c1cccc(F)c1 38811877 1169084989 /nfs/dbraw/zinc/08/49/89/1169084989.db2.gz GHFKISKLUPGKHF-UHFFFAOYSA-N 0 0 189.189 2.181 10 0 AEAERN CNc1ccc(-c2ccncc2)cn1 39283853 1169085562 /nfs/dbraw/zinc/08/55/62/1169085562.db2.gz RMUHMUPAEBUUEC-UHFFFAOYSA-N 0 0 185.230 2.185 10 0 AEAERN CCOC(=O)[C@@H](C)c1cccc(O)c1 39617640 1169085844 /nfs/dbraw/zinc/08/58/44/1169085844.db2.gz CJTQEHIQEPBAAT-QMMMGPOBSA-N 0 0 194.230 2.059 10 0 AEAERN CCc1nnc(-c2ccc(O)cc2)o1 40350541 1169086190 /nfs/dbraw/zinc/08/61/90/1169086190.db2.gz VUQDMMJXHKKIIB-UHFFFAOYSA-N 0 0 190.202 2.005 10 0 AEAERN CC(C)Cc1ccoc1 39271521 1169086362 /nfs/dbraw/zinc/08/63/62/1169086362.db2.gz UREITGWQUYKJCJ-UHFFFAOYSA-N 0 0 124.183 2.478 10 0 AEAERN CN(C)c1ccc(-c2ccncc2)cn1 39283854 1169086458 /nfs/dbraw/zinc/08/64/58/1169086458.db2.gz WRHGCVIJDNRWEX-UHFFFAOYSA-N 0 0 199.257 2.210 10 0 AEAERN Cc1ccc(OC(C)C)cn1 39613823 1169086645 /nfs/dbraw/zinc/08/66/45/1169086645.db2.gz WHXCIRYFEDTNKZ-UHFFFAOYSA-N 0 0 151.209 2.177 10 0 AEAERN CC[C@H](C)OC(=O)N(CC)CC 39596219 1169086664 /nfs/dbraw/zinc/08/66/64/1169086664.db2.gz GCGPVJIIFSZAPB-QMMMGPOBSA-N 0 0 173.256 2.263 10 0 AEAERN CCc1ccc(COC)cc1 39275655 1169087203 /nfs/dbraw/zinc/08/72/03/1169087203.db2.gz PBFCCXAJSMYMJK-UHFFFAOYSA-N 0 0 150.221 2.395 10 0 AEAERN CC(C)NC(=O)N(C(C)C)C(C)C 39307206 1169087251 /nfs/dbraw/zinc/08/72/51/1169087251.db2.gz RAQKUUNDXWNXMX-UHFFFAOYSA-N 0 0 186.299 2.223 10 0 AEAERN Cc1ccc(-c2nnco2)c(C)c1 40350635 1169087331 /nfs/dbraw/zinc/08/73/31/1169087331.db2.gz CVTYJMJZFMIAQR-UHFFFAOYSA-N 0 0 174.203 2.353 10 0 AEAERN c1cnnc(-c2ccsc2)c1 39270595 1169087420 /nfs/dbraw/zinc/08/74/20/1169087420.db2.gz YYBNIROKVMTKIU-UHFFFAOYSA-N 0 0 162.217 2.205 10 0 AEAERN CCOC(=O)[C@H](C)c1cccc(O)c1 39617642 1169087471 /nfs/dbraw/zinc/08/74/71/1169087471.db2.gz CJTQEHIQEPBAAT-MRVPVSSYSA-N 0 0 194.230 2.059 10 0 AEAERN c1cnnc(-c2cccs2)c1 39270596 1169088298 /nfs/dbraw/zinc/08/82/98/1169088298.db2.gz ZHGDXGNDLHMXHM-UHFFFAOYSA-N 0 0 162.217 2.205 10 0 AEAERN CC[C@@H](C)OC(=O)N(CC)CC 39596217 1169088426 /nfs/dbraw/zinc/08/84/26/1169088426.db2.gz GCGPVJIIFSZAPB-MRVPVSSYSA-N 0 0 173.256 2.263 10 0 AEAERN Cc1ccc(-c2ccc(N)nn2)cc1 41203060 1169089833 /nfs/dbraw/zinc/08/98/33/1169089833.db2.gz MJIYMQJPGQLPKG-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Clc1ccc(Cc2nnco2)cc1 44605226 1169090350 /nfs/dbraw/zinc/09/03/50/1169090350.db2.gz PPIDNXUOVFTGRE-UHFFFAOYSA-N 0 0 194.621 2.314 10 0 AEAERN O=c1[nH]cccc1-c1ccccc1F 47203970 1169091595 /nfs/dbraw/zinc/09/15/95/1169091595.db2.gz BQPYGMVWWYACCC-UHFFFAOYSA-N 0 0 189.189 2.181 10 0 AEAERN CCCNc1nc(C)nc(C)c1C 50864322 1169092072 /nfs/dbraw/zinc/09/20/72/1169092072.db2.gz FOKICPDAZAABFJ-UHFFFAOYSA-N 0 0 179.267 2.224 10 0 AEAERN CCCNc1ccc(C(C)C)nn1 50868266 1169092474 /nfs/dbraw/zinc/09/24/74/1169092474.db2.gz QLMWVLMDBYTTES-UHFFFAOYSA-N 0 0 179.267 2.422 10 0 AEAERN CCCNc1cc(C)nc(C2CC2)n1 50849035 1169092492 /nfs/dbraw/zinc/09/24/92/1169092492.db2.gz OBTHBCFPSSWPNW-UHFFFAOYSA-N 0 0 191.278 2.484 10 0 AEAERN CCCNc1cc(C)nc(CC)n1 50848987 1169092523 /nfs/dbraw/zinc/09/25/23/1169092523.db2.gz XOIOSYZJDIPRMY-UHFFFAOYSA-N 0 0 179.267 2.169 10 0 AEAERN CCn1cc(CC(=O)C(C)(C)C)cn1 50541860 1169093553 /nfs/dbraw/zinc/09/35/53/1169093553.db2.gz TYCXDTRPPHSXFQ-UHFFFAOYSA-N 0 0 194.278 2.061 10 0 AEAERN CCC[C@@H](O)CNc1ccccc1 55032065 1169094952 /nfs/dbraw/zinc/09/49/52/1169094952.db2.gz QBVBHBTVHYCLRM-LLVKDONJSA-N 0 0 179.263 2.260 10 0 AEAERN CCC[C@H](O)CNc1ccccc1 55032063 1169097541 /nfs/dbraw/zinc/09/75/41/1169097541.db2.gz QBVBHBTVHYCLRM-NSHDSACASA-N 0 0 179.263 2.260 10 0 AEAERN C=Cc1cccnc1CC 60273602 1169097820 /nfs/dbraw/zinc/09/78/20/1169097820.db2.gz GUGLWHRSMOYSIN-UHFFFAOYSA-N 0 0 133.194 2.287 10 0 AEAERN c1ccc(OCCc2ncc[nH]2)cc1 59847671 1169098382 /nfs/dbraw/zinc/09/83/82/1169098382.db2.gz WSHMYXBAUBPHLX-UHFFFAOYSA-N 0 0 188.230 2.031 10 0 AEAERN CCCc1cccnc1C 59938643 1169098604 /nfs/dbraw/zinc/09/86/04/1169098604.db2.gz WULDSLZCJWELDG-UHFFFAOYSA-N 0 0 135.210 2.343 10 0 AEAERN c1ccc(-c2ccc3nncn3c2)cc1 59734744 1169099160 /nfs/dbraw/zinc/09/91/60/1169099160.db2.gz VIRCEGNRHOIPML-UHFFFAOYSA-N 0 0 195.225 2.396 10 0 AEAERN CCc1ccc2c(c1)OCCO2 60249610 1169099271 /nfs/dbraw/zinc/09/92/71/1169099271.db2.gz QSNNGOUNLVCFPU-UHFFFAOYSA-N 0 0 164.204 2.020 10 0 AEAERN C=Cc1ccnc(CC)c1 60050509 1169100177 /nfs/dbraw/zinc/10/01/77/1169100177.db2.gz BHPRLWLPVKIAIV-UHFFFAOYSA-N 0 0 133.194 2.287 10 0 AEAERN CC(=O)Oc1cccc(C=O)c1Cl 60139657 1169100647 /nfs/dbraw/zinc/10/06/47/1169100647.db2.gz ULVMVMYPBXEDMQ-UHFFFAOYSA-N 0 0 198.605 2.078 10 0 AEAERN Cc1ccccc1-c1ncon1 60134132 1169100706 /nfs/dbraw/zinc/10/07/06/1169100706.db2.gz FBMCBYRDICFVCG-UHFFFAOYSA-N 0 0 160.176 2.045 10 0 AEAERN CCc1ccoc1C 79703083 1169102207 /nfs/dbraw/zinc/10/22/07/1169102207.db2.gz RGQILVDAFAAUKI-UHFFFAOYSA-N 0 0 110.156 2.150 10 0 AEAERN Oc1ccc(C[C@H]2CCCO2)cc1 79967837 1169102226 /nfs/dbraw/zinc/10/22/26/1169102226.db2.gz PEJIZIIPFKEOTF-LLVKDONJSA-N 0 0 178.231 2.114 10 0 AEAERN Cc1ccc(OCC(F)(F)F)nc1 78960935 1169102714 /nfs/dbraw/zinc/10/27/14/1169102714.db2.gz OASHAUJICDIPQC-UHFFFAOYSA-N 0 0 191.152 2.331 10 0 AEAERN Nc1ccc(C2=CCOCC2)c(F)c1 79892373 1169102919 /nfs/dbraw/zinc/10/29/19/1169102919.db2.gz HYLRLQHGBVOUPX-UHFFFAOYSA-N 0 0 193.221 2.212 10 0 AEAERN Oc1cccc(Cc2ccncc2)c1 79935557 1169103070 /nfs/dbraw/zinc/10/30/70/1169103070.db2.gz ZUFVVRKURIGQBF-UHFFFAOYSA-N 0 0 185.226 2.378 10 0 AEAERN C#CCc1c(F)cccc1F 79474188 1169103893 /nfs/dbraw/zinc/10/38/93/1169103893.db2.gz UREHUVPFVZECEX-UHFFFAOYSA-N 0 0 152.143 2.141 10 0 AEAERN Fc1ccc(-c2ccncn2)cc1F 79937329 1169104065 /nfs/dbraw/zinc/10/40/65/1169104065.db2.gz FHHIBXVGMIWTAN-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN Clc1ccccc1-c1ncon1 79022359 1169104546 /nfs/dbraw/zinc/10/45/46/1169104546.db2.gz KMSICCMGVFODHE-UHFFFAOYSA-N 0 0 180.594 2.390 10 0 AEAERN Cc1ncnc(-c2ccc(N)cc2)c1C 82911907 1169112143 /nfs/dbraw/zinc/11/21/43/1169112143.db2.gz QXINGMVRJVBZEU-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CCC[C@@H](N)c1nnc(C2CCC2)o1 83342371 1169113198 /nfs/dbraw/zinc/11/31/98/1169113198.db2.gz WPJLJNJIUFNMKJ-MRVPVSSYSA-N 0 0 195.266 2.137 10 0 AEAERN CCC(=O)Oc1ccc(OC)c(F)c1 80680381 1169105987 /nfs/dbraw/zinc/10/59/87/1169105987.db2.gz OTMYNNAQAKZNEU-UHFFFAOYSA-N 0 0 198.193 2.150 10 0 AEAERN CCCc1cccc(O)c1F 80741724 1169106152 /nfs/dbraw/zinc/10/61/52/1169106152.db2.gz PMGZEBJMHGVOKZ-UHFFFAOYSA-N 0 0 154.184 2.484 10 0 AEAERN CCCCc1cccnc1OC 82053485 1169106536 /nfs/dbraw/zinc/10/65/36/1169106536.db2.gz KBQPWURDCFXZEW-UHFFFAOYSA-N 0 0 165.236 2.433 10 0 AEAERN CN(C)Cc1cccc(O)c1Cl 82128694 1169106704 /nfs/dbraw/zinc/10/67/04/1169106704.db2.gz BHSRUXIKJOPOEL-UHFFFAOYSA-N 0 0 185.654 2.107 10 0 AEAERN Cc1ncc(-c2ccncc2N)s1 82389520 1169108913 /nfs/dbraw/zinc/10/89/13/1169108913.db2.gz FXOHPDVWRWCGMI-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1cccc(-c2cccnc2N)n1 82392766 1169109405 /nfs/dbraw/zinc/10/94/05/1169109405.db2.gz VDXHNINSQMDBLQ-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1nc2cccc(F)c2n1C 82404341 1169109523 /nfs/dbraw/zinc/10/95/23/1169109523.db2.gz DEZZYBAUYLMATF-UHFFFAOYSA-N 0 0 164.183 2.021 10 0 AEAERN Cc1ncc(-c2ccccc2N)cn1 82392752 1169109609 /nfs/dbraw/zinc/10/96/09/1169109609.db2.gz VUEXHXGATPZYPI-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CCCC1=CCCOC1 82177258 1169109955 /nfs/dbraw/zinc/10/99/55/1169109955.db2.gz JLTMRAUFWJJPKU-UHFFFAOYSA-N 0 0 126.199 2.133 10 0 AEAERN Cc1cc(C)c(F)c(O)c1 82410332 1169109958 /nfs/dbraw/zinc/10/99/58/1169109958.db2.gz ZHWSVHSIQRTGQX-UHFFFAOYSA-N 0 0 140.157 2.148 10 0 AEAERN Cc1ccc(-c2ccnc(N)c2)cn1 82392768 1169110078 /nfs/dbraw/zinc/11/00/78/1169110078.db2.gz AAVBKRMEYLBVEM-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Nc1cncc(CCc2ccccc2)c1 82384345 1169110092 /nfs/dbraw/zinc/11/00/92/1169110092.db2.gz KKDNXECTBVIWPZ-UHFFFAOYSA-N 0 0 198.269 2.449 10 0 AEAERN COC1CCN(c2ccccc2)CC1 82150775 1169110323 /nfs/dbraw/zinc/11/03/23/1169110323.db2.gz MIXSEWLTHMPAFE-UHFFFAOYSA-N 0 0 191.274 2.302 10 0 AEAERN CC[C@H](C)c1cncc(N)c1 82408321 1169110390 /nfs/dbraw/zinc/11/03/90/1169110390.db2.gz VSNLALDYZOBIQO-ZETCQYMHSA-N 0 0 150.225 2.177 10 0 AEAERN Cc1cccc(-c2ccnc(N)c2)n1 82392767 1169110452 /nfs/dbraw/zinc/11/04/52/1169110452.db2.gz SFBFUDURLZKZLB-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1cccc(-c2cncc(N)c2)n1 82392764 1169110462 /nfs/dbraw/zinc/11/04/62/1169110462.db2.gz CRMFGWDYDBOMBI-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CC(C)(C)Cc1cncc(N)c1 82404187 1169110492 /nfs/dbraw/zinc/11/04/92/1169110492.db2.gz BGVZCTKHCBJXMG-UHFFFAOYSA-N 0 0 164.252 2.252 10 0 AEAERN CC[C@@H](C)c1cncc(N)c1 82408320 1169111050 /nfs/dbraw/zinc/11/10/50/1169111050.db2.gz VSNLALDYZOBIQO-SSDOTTSWSA-N 0 0 150.225 2.177 10 0 AEAERN CCCC[C@@H](N)c1nnc(C2CC2)o1 83342362 1169112047 /nfs/dbraw/zinc/11/20/47/1169112047.db2.gz JNKRDLOOYWFHSX-MRVPVSSYSA-N 0 0 195.266 2.137 10 0 AEAERN Cc1ncnc(-c2ccccc2N)c1C 82911913 1169112470 /nfs/dbraw/zinc/11/24/70/1169112470.db2.gz PCPYELQDGGWEGC-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CCCC[C@H](N)c1nnc(C2CC2)o1 83342361 1169112605 /nfs/dbraw/zinc/11/26/05/1169112605.db2.gz JNKRDLOOYWFHSX-QMMMGPOBSA-N 0 0 195.266 2.137 10 0 AEAERN Cc1nccc(-c2ccc(O)cc2)n1 82878804 1169112791 /nfs/dbraw/zinc/11/27/91/1169112791.db2.gz NEQRCABPXFUWJP-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN CCC[C@@H](N)c1nnc(CC(C)C)o1 83342796 1169113029 /nfs/dbraw/zinc/11/30/29/1169113029.db2.gz MVIJIZLSZAIICJ-MRVPVSSYSA-N 0 0 197.282 2.068 10 0 AEAERN Cc1ncc(C)c(-c2ccc(N)cc2)n1 82911908 1169113453 /nfs/dbraw/zinc/11/34/53/1169113453.db2.gz PEIWDCBZDAKXRX-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1cncnc1-c1cccc(O)c1 82878800 1169113563 /nfs/dbraw/zinc/11/35/63/1169113563.db2.gz BTGYFNZFHYWPEG-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1nccc(-c2cccc(O)c2)n1 82878807 1169113726 /nfs/dbraw/zinc/11/37/26/1169113726.db2.gz XFFKLFNDHNZXJH-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1ncc(C)c(-c2ccccc2N)n1 82911914 1169113881 /nfs/dbraw/zinc/11/38/81/1169113881.db2.gz RLDZQZHSMFNQMC-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1cncnc1-c1ccc(O)cc1 82878798 1169114027 /nfs/dbraw/zinc/11/40/27/1169114027.db2.gz ZCOWVDUSFOGHOD-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN CCOc1ccc(C=O)c(CC)c1 83225385 1169114310 /nfs/dbraw/zinc/11/43/10/1169114310.db2.gz CZZGKTZDRADJTK-UHFFFAOYSA-N 0 0 178.231 2.460 10 0 AEAERN COc1cc(OC)cc(OC(C)C)c1 83317011 1169114332 /nfs/dbraw/zinc/11/43/32/1169114332.db2.gz VEMYHKVVXRCKFS-UHFFFAOYSA-N 0 0 196.246 2.491 10 0 AEAERN Cc1cccc(C)c1-n1nccc1N 84347665 1169116356 /nfs/dbraw/zinc/11/63/56/1169116356.db2.gz IGNGOHHIBZKNJZ-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN Cc1cccc(-c2cc(N)ncn2)c1C 84026558 1169116842 /nfs/dbraw/zinc/11/68/42/1169116842.db2.gz SZSDRYAUNVBFQJ-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1nocc1-c1cccc(N)c1 83963677 1169117054 /nfs/dbraw/zinc/11/70/54/1169117054.db2.gz LVCLNRVNPSHJSE-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1nocc1-c1ccc(N)cc1 83963676 1169117145 /nfs/dbraw/zinc/11/71/45/1169117145.db2.gz CHQYZNVSJGSWES-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1cccc(-c2ccc(N)nn2)c1C 84026557 1169117984 /nfs/dbraw/zinc/11/79/84/1169117984.db2.gz APQQYQYADLZUIV-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CCc1ccc2c(c1)CCC(=O)N2C 84768246 1169118528 /nfs/dbraw/zinc/11/85/28/1169118528.db2.gz FKQDGNGDLPUYGW-UHFFFAOYSA-N 0 0 189.258 2.158 10 0 AEAERN COc1ccc(F)c(-c2cc[nH]n2)c1 84931501 1169118966 /nfs/dbraw/zinc/11/89/66/1169118966.db2.gz MYOQZVZQPSULNP-UHFFFAOYSA-N 0 0 192.193 2.224 10 0 AEAERN Fc1ccc(-c2cn[nH]c2)c(F)c1F 84931508 1169118992 /nfs/dbraw/zinc/11/89/92/1169118992.db2.gz FKZBWAUIKNRADM-UHFFFAOYSA-N 0 0 198.147 2.494 10 0 AEAERN COc1cccc(-c2cc[nH]n2)c1F 84931493 1169119046 /nfs/dbraw/zinc/11/90/46/1169119046.db2.gz ONAHUNOXWALBLF-UHFFFAOYSA-N 0 0 192.193 2.224 10 0 AEAERN COc1ccc(F)c(-c2cn[nH]c2)c1 84931516 1169119110 /nfs/dbraw/zinc/11/91/10/1169119110.db2.gz RXFCVXNKNIITNV-UHFFFAOYSA-N 0 0 192.193 2.224 10 0 AEAERN Cc1cnccc1-c1cccc(N)n1 85424566 1169119143 /nfs/dbraw/zinc/11/91/43/1169119143.db2.gz HJFSONRLDDNNGX-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Fc1ccc(-c2cc[nH]n2)c(F)c1F 84931495 1169119348 /nfs/dbraw/zinc/11/93/48/1169119348.db2.gz QCMOZKDWOHBCME-UHFFFAOYSA-N 0 0 198.147 2.494 10 0 AEAERN Fc1cccc(F)c1-c1cn[nH]c1 84931505 1169119408 /nfs/dbraw/zinc/11/94/08/1169119408.db2.gz ROZNKRMZVTUJAU-UHFFFAOYSA-N 0 0 180.157 2.355 10 0 AEAERN COC(=O)CCc1cccc(C)c1F 84932451 1169119791 /nfs/dbraw/zinc/11/97/91/1169119791.db2.gz KAPVPOYQYNYHOX-UHFFFAOYSA-N 0 0 196.221 2.240 10 0 AEAERN Cc1cnccc1-c1ccc(N)nc1C 85729310 1169119901 /nfs/dbraw/zinc/11/99/01/1169119901.db2.gz ZOWBSAFZYSMMDS-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1ccncc1-c1cccc(N)n1 85441896 1169120150 /nfs/dbraw/zinc/12/01/50/1169120150.db2.gz LBMNKJAIDPWVQO-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN COc1cccc(F)c1-c1cc[nH]n1 84931494 1169120179 /nfs/dbraw/zinc/12/01/79/1169120179.db2.gz HAFGLOQJWGOAHK-UHFFFAOYSA-N 0 0 192.193 2.224 10 0 AEAERN Cc1ccncc1-c1ccc(N)nc1C 85729315 1169120185 /nfs/dbraw/zinc/12/01/85/1169120185.db2.gz LYGMBHUTOZRNND-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN COC(=O)CCc1cc(C)ccc1F 84932452 1169120747 /nfs/dbraw/zinc/12/07/47/1169120747.db2.gz QGDUWSKDFCEKGB-UHFFFAOYSA-N 0 0 196.221 2.240 10 0 AEAERN Fc1cccc(-c2cn[nH]c2)c1F 84931504 1169120753 /nfs/dbraw/zinc/12/07/53/1169120753.db2.gz VWAFFRKSQBAUFS-UHFFFAOYSA-N 0 0 180.157 2.355 10 0 AEAERN COc1cccc(F)c1-c1cn[nH]c1 84931507 1169120938 /nfs/dbraw/zinc/12/09/38/1169120938.db2.gz SVOWVLTXXYWBQA-UHFFFAOYSA-N 0 0 192.193 2.224 10 0 AEAERN Cc1ccc(O)cc1OC(C)C 95710644 1169128522 /nfs/dbraw/zinc/12/85/22/1169128522.db2.gz OFHZTMKUWYFJBM-UHFFFAOYSA-N 0 0 166.220 2.488 10 0 AEAERN Cc1cccc(-c2ccnc(N)n2)c1C 87203576 1169123927 /nfs/dbraw/zinc/12/39/27/1169123927.db2.gz XDRRAWXCPZVWDX-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN C=Cc1ccc(OCCOC)cc1 87198283 1169124572 /nfs/dbraw/zinc/12/45/72/1169124572.db2.gz FXAXARHXSAOGGL-UHFFFAOYSA-N 0 0 178.231 2.355 10 0 AEAERN C=Cc1ccc(N)c(F)c1 90735036 1169125295 /nfs/dbraw/zinc/12/52/95/1169125295.db2.gz GOPOEKKCLSWSRT-UHFFFAOYSA-N 0 0 137.157 2.051 10 0 AEAERN CC(C)(C)c1cc(F)c(N)cc1O 88259910 1169125312 /nfs/dbraw/zinc/12/53/12/1169125312.db2.gz NPFIBJJIAWHOMR-UHFFFAOYSA-N 0 0 183.226 2.411 10 0 AEAERN Cc1ccccc1-c1cncn1C 90398828 1169125405 /nfs/dbraw/zinc/12/54/05/1169125405.db2.gz NGFQXZKUFFFJDF-UHFFFAOYSA-N 0 0 172.231 2.396 10 0 AEAERN Cc1ccccc1-c1cccnn1 90398815 1169125931 /nfs/dbraw/zinc/12/59/31/1169125931.db2.gz PVRYAZKFYWMNDQ-UHFFFAOYSA-N 0 0 170.215 2.452 10 0 AEAERN Cc1cn(Cc2csc(C)c2)nn1 93566428 1169127194 /nfs/dbraw/zinc/12/71/94/1169127194.db2.gz HRAVSODQSHQLMG-UHFFFAOYSA-N 0 0 193.275 2.005 10 0 AEAERN c1cncc(OC2CCC2)c1 90197889 1169127252 /nfs/dbraw/zinc/12/72/52/1169127252.db2.gz HYUIYESPNMLFIW-UHFFFAOYSA-N 0 0 149.193 2.013 10 0 AEAERN CN(C)Cc1ccsc1Cl 88246620 1169127847 /nfs/dbraw/zinc/12/78/47/1169127847.db2.gz FUMQADPNBJRINA-UHFFFAOYSA-N 0 0 175.684 2.463 10 0 AEAERN CN(C)c1cc(F)cc(OC2CC2)c1 95723372 1169128615 /nfs/dbraw/zinc/12/86/15/1169128615.db2.gz OADZZCMTRISDPX-UHFFFAOYSA-N 0 0 195.237 2.433 10 0 AEAERN Oc1cc(F)ccc1CC1CC1 95723584 1169128668 /nfs/dbraw/zinc/12/86/68/1169128668.db2.gz IRXBRAOGPQWTJT-UHFFFAOYSA-N 0 0 166.195 2.484 10 0 AEAERN Cc1nc(F)ccc1OC1CC1 95734370 1169128758 /nfs/dbraw/zinc/12/87/58/1169128758.db2.gz IIWPZSAMRDYRNR-UHFFFAOYSA-N 0 0 167.183 2.070 10 0 AEAERN CCc1ccc(F)cc1O 95711181 1169128855 /nfs/dbraw/zinc/12/88/55/1169128855.db2.gz OELSRILEABAUDK-UHFFFAOYSA-N 0 0 140.157 2.094 10 0 AEAERN CC(C)Oc1cc(O)ccc1F 95710659 1169128991 /nfs/dbraw/zinc/12/89/91/1169128991.db2.gz NREAQQUOZDPTJB-UHFFFAOYSA-N 0 0 170.183 2.319 10 0 AEAERN CC(C)Oc1ccc(OC2CC2)cn1 95727282 1169129012 /nfs/dbraw/zinc/12/90/12/1169129012.db2.gz CSPPBTJKVVHDNP-UHFFFAOYSA-N 0 0 193.246 2.410 10 0 AEAERN Oc1cc(F)cc(CC2CC2)c1 95719941 1169129162 /nfs/dbraw/zinc/12/91/62/1169129162.db2.gz KDZXWKQVRURBJB-UHFFFAOYSA-N 0 0 166.195 2.484 10 0 AEAERN CCc1cc(O)cc(F)c1 95711117 1169129324 /nfs/dbraw/zinc/12/93/24/1169129324.db2.gz KNMHJNXVGBQIDV-UHFFFAOYSA-N 0 0 140.157 2.094 10 0 AEAERN C=Cc1ccncc1Cl 95628506 1169129813 /nfs/dbraw/zinc/12/98/13/1169129813.db2.gz VFUTUYDMZQPKAW-UHFFFAOYSA-N 0 0 139.585 2.378 10 0 AEAERN CN(C)c1cccc(OC2CC2)c1 95722131 1169129860 /nfs/dbraw/zinc/12/98/60/1169129860.db2.gz OTARJSGABLLFCX-UHFFFAOYSA-N 0 0 177.247 2.294 10 0 AEAERN c1ccc2[nH]c(-c3ncco3)nc2c1 95923058 1169130240 /nfs/dbraw/zinc/13/02/40/1169130240.db2.gz XTROYEIIBGPWRB-UHFFFAOYSA-N 0 0 185.186 2.218 10 0 AEAERN Cc1[nH]cnc1-c1nc2ccccc2[nH]1 95922414 1169130271 /nfs/dbraw/zinc/13/02/71/1169130271.db2.gz PERGCXIHQRTBPO-UHFFFAOYSA-N 0 0 198.229 2.261 10 0 AEAERN CCc1ncccc1OC1CC1 95726691 1169130310 /nfs/dbraw/zinc/13/03/10/1169130310.db2.gz MSLUVVFUERHCOC-UHFFFAOYSA-N 0 0 163.220 2.185 10 0 AEAERN CCc1c(O)cccc1F 95711040 1169130416 /nfs/dbraw/zinc/13/04/16/1169130416.db2.gz RKGDLMYQJXITEB-UHFFFAOYSA-N 0 0 140.157 2.094 10 0 AEAERN O=c1cc[nH]c(OC2CCCCC2)c1 95723746 1169130576 /nfs/dbraw/zinc/13/05/76/1169130576.db2.gz HEGIXWYTVYBFTE-UHFFFAOYSA-N 0 0 193.246 2.499 10 0 AEAERN CCc1nc(C)ccc1OC1CC1 95721377 1169130593 /nfs/dbraw/zinc/13/05/93/1169130593.db2.gz MQZFGEMBEAMBOG-UHFFFAOYSA-N 0 0 177.247 2.494 10 0 AEAERN Oc1cncc(OC2CCCCC2)c1 95723357 1169130594 /nfs/dbraw/zinc/13/05/94/1169130594.db2.gz RBCIYIAZJIVGSH-UHFFFAOYSA-N 0 0 193.246 2.499 10 0 AEAERN CC(C)Oc1nc2ccccc2n1C 95923586 1169131138 /nfs/dbraw/zinc/13/11/38/1169131138.db2.gz KIPXPRIVUKWJJO-UHFFFAOYSA-N 0 0 190.246 2.361 10 0 AEAERN Cc1ccc(OC2CC2)c(F)n1 95722343 1169131158 /nfs/dbraw/zinc/13/11/58/1169131158.db2.gz IBMOOQVHVCQCQL-UHFFFAOYSA-N 0 0 167.183 2.070 10 0 AEAERN COCCOCc1ccc(C)cc1C 96542080 1169132267 /nfs/dbraw/zinc/13/22/67/1169132267.db2.gz RWHTVBSOIKSUCP-UHFFFAOYSA-N 0 0 194.274 2.466 10 0 AEAERN CC(C)CCCCNC(=O)NC1CC1 96716623 1169132498 /nfs/dbraw/zinc/13/24/98/1169132498.db2.gz XEZFRNHNLCJYFN-UHFFFAOYSA-N 0 0 198.310 2.274 10 0 AEAERN Cc1cccc(C)c1-c1cnc(N)nc1 96312366 1169132633 /nfs/dbraw/zinc/13/26/33/1169132633.db2.gz YOUURWYAEKGWCQ-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN c1ncc(OC2CCCCC2)cn1 98177392 1169132672 /nfs/dbraw/zinc/13/26/72/1169132672.db2.gz CEMLDINEVZYRDB-UHFFFAOYSA-N 0 0 178.235 2.188 10 0 AEAERN Cc1cncnc1-c1ccccc1N 96864773 1169132714 /nfs/dbraw/zinc/13/27/14/1169132714.db2.gz KJGAOEGRKDXSBT-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CCc1ccccc1-c1cnc(N)nc1 96312578 1169132748 /nfs/dbraw/zinc/13/27/48/1169132748.db2.gz ZJBKKXYOGQQRDS-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN Clc1ncc(OC2CCC2)cn1 96135246 1169132794 /nfs/dbraw/zinc/13/27/94/1169132794.db2.gz HBHZYVZDTFAAOI-UHFFFAOYSA-N 0 0 184.626 2.061 10 0 AEAERN C=CC(=O)NC/C=C/c1ccccc1 98199361 1169132917 /nfs/dbraw/zinc/13/29/17/1169132917.db2.gz VTFDZRXHNIHXAX-RMKNXTFCSA-N 0 0 187.242 2.002 10 0 AEAERN CC[C@H]1CCCN1C(=O)[C@@H]1CC1(C)C 722638124 673913908 /nfs/dbraw/zinc/91/39/08/673913908.db2.gz OGCNISDKCZVEEA-UWVGGRQHSA-N 0 0 195.306 2.434 10 0 AEAERN CCCOC(=O)N1CC[C@H]1C1CC1 859176783 673913929 /nfs/dbraw/zinc/91/39/29/673913929.db2.gz WZFXMCJUAKIOBW-VIFPVBQESA-N 0 0 183.251 2.017 10 0 AEAERN CCCOC(=O)N1CC[C@@H]1C1CC1 859176782 673913978 /nfs/dbraw/zinc/91/39/78/673913978.db2.gz WZFXMCJUAKIOBW-SECBINFHSA-N 0 0 183.251 2.017 10 0 AEAERN CCCC[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[NH2+]1 757213252 673917440 /nfs/dbraw/zinc/91/74/40/673917440.db2.gz IWZVJJBBQDQMPH-LPEHRKFASA-N 0 0 199.294 2.018 10 0 AEAERN CC1(C)CCN(C(=O)[C@@H]2CC2(C)C)C1 722636906 673914019 /nfs/dbraw/zinc/91/40/19/673914019.db2.gz HBYCFQFEQVAURB-VIFPVBQESA-N 0 0 195.306 2.291 10 0 AEAERN CC[C@@H]1CCCN1C(=O)[C@@H]1CC1(C)C 722638125 673914042 /nfs/dbraw/zinc/91/40/42/673914042.db2.gz OGCNISDKCZVEEA-ZJUUUORDSA-N 0 0 195.306 2.434 10 0 AEAERN CC[C@H](C)CSCC(OC)OC 234001544 673914073 /nfs/dbraw/zinc/91/40/73/673914073.db2.gz BULCMPIKDMQODG-QMMMGPOBSA-N 0 0 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0 AEAERN COc1c(C)ccc(C)c1F 202017000 1169305140 /nfs/dbraw/zinc/30/51/40/1169305140.db2.gz HSRAYALIRLXISJ-UHFFFAOYSA-N 0 0 154.184 2.451 10 0 AEAERN Cc1cc(NC(=O)C(C)C)cc(C)n1 202275144 1169305591 /nfs/dbraw/zinc/30/55/91/1169305591.db2.gz RYKXBKKQQHUPMP-UHFFFAOYSA-N 0 0 192.262 2.293 10 0 AEAERN Cc1ccc([C@@H](C)C(=O)N(C)C)cc1 201768541 1169305897 /nfs/dbraw/zinc/30/58/97/1169305897.db2.gz RBUVAKLNCWOLLA-SNVBAGLBSA-N 0 0 191.274 2.187 10 0 AEAERN CC(C)(C)CN1CCC(F)(F)C1 202269219 1169306213 /nfs/dbraw/zinc/30/62/13/1169306213.db2.gz UQXVNXCJRRPPEA-UHFFFAOYSA-N 0 0 177.238 2.374 10 0 AEAERN O=C(Nc1ccccc1)OCCF 202238068 1169306336 /nfs/dbraw/zinc/30/63/36/1169306336.db2.gz HHJUQEPGIYHNRI-UHFFFAOYSA-N 0 0 183.182 2.205 10 0 AEAERN CCn1cc(CC(C)(C)C)cn1 201921098 1169306814 /nfs/dbraw/zinc/30/68/14/1169306814.db2.gz DVCODYMDJLERRG-UHFFFAOYSA-N 0 0 166.268 2.492 10 0 AEAERN Cc1c(O)cccc1-c1ccn(C)n1 201899104 1169307202 /nfs/dbraw/zinc/30/72/02/1169307202.db2.gz OJMNBSBZPVLKKR-UHFFFAOYSA-N 0 0 188.230 2.101 10 0 AEAERN COCCc1cccc(C)c1F 201928427 1169307263 /nfs/dbraw/zinc/30/72/63/1169307263.db2.gz OVZXPCCYVQVCCO-UHFFFAOYSA-N 0 0 168.211 2.323 10 0 AEAERN CC(C)OCc1cscn1 202189848 1169307815 /nfs/dbraw/zinc/30/78/15/1169307815.db2.gz ZZGAIBXWHFRTMG-UHFFFAOYSA-N 0 0 157.238 2.068 10 0 AEAERN CC(C)c1ccc(CO)cc1F 202129598 1169307995 /nfs/dbraw/zinc/30/79/95/1169307995.db2.gz XNQBUKKLVDJELF-UHFFFAOYSA-N 0 0 168.211 2.441 10 0 AEAERN CC(C)OCCCn1cccc1 202307976 1169309029 /nfs/dbraw/zinc/30/90/29/1169309029.db2.gz MDQSNKOIDXNCAR-UHFFFAOYSA-N 0 0 167.252 2.303 10 0 AEAERN COc1ncccc1CC(C)C 202389072 1169309309 /nfs/dbraw/zinc/30/93/09/1169309309.db2.gz HNVMIIUGOBSRAF-UHFFFAOYSA-N 0 0 165.236 2.289 10 0 AEAERN CC(C)CNC(=O)OCC(C)(C)C 202938671 1169309635 /nfs/dbraw/zinc/30/96/35/1169309635.db2.gz HOFCEKATJQBSDY-UHFFFAOYSA-N 0 0 187.283 2.415 10 0 AEAERN Cc1cccc(C)c1-c1ccnc(N)n1 204031291 1169310022 /nfs/dbraw/zinc/31/00/22/1169310022.db2.gz CFHGAGLNFKALKW-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CCc1cc(C)ccc1CO 204062771 1169310969 /nfs/dbraw/zinc/31/09/69/1169310969.db2.gz GGKBPLIFNSPFJN-UHFFFAOYSA-N 0 0 150.221 2.050 10 0 AEAERN C=Cc1ccc(N)cc1F 204083064 1169311094 /nfs/dbraw/zinc/31/10/94/1169311094.db2.gz FZNMFFCINZNWQP-UHFFFAOYSA-N 0 0 137.157 2.051 10 0 AEAERN CCc1cc(C(=O)N(C)C)ccc1F 203986962 1169312094 /nfs/dbraw/zinc/31/20/94/1169312094.db2.gz YWALDIIVAKCVRM-UHFFFAOYSA-N 0 0 195.237 2.090 10 0 AEAERN CCc1cnc(N2CCCCC2)nc1 204225989 1169312645 /nfs/dbraw/zinc/31/26/45/1169312645.db2.gz JAMZPHUUPBOTRO-UHFFFAOYSA-N 0 0 191.278 2.029 10 0 AEAERN CCc1cccc2c1cnn2C 203886367 1169312729 /nfs/dbraw/zinc/31/27/29/1169312729.db2.gz CAFBRKDVSWFSNA-UHFFFAOYSA-N 0 0 160.220 2.136 10 0 AEAERN CCc1cnc2cccnc2c1 203806401 1169312828 /nfs/dbraw/zinc/31/28/28/1169312828.db2.gz DMNPJJWLTZSSIP-UHFFFAOYSA-N 0 0 158.204 2.192 10 0 AEAERN CC(C)c1ccc(F)c(CO)c1 203809591 1169312837 /nfs/dbraw/zinc/31/28/37/1169312837.db2.gz IMCFCRVCCFLGTE-UHFFFAOYSA-N 0 0 168.211 2.441 10 0 AEAERN CCc1cccc(OC[C@@H]2CCO2)c1 204099973 1169313379 /nfs/dbraw/zinc/31/33/79/1169313379.db2.gz ORCKWEOIQDJJGU-LBPRGKRZSA-N 0 0 192.258 2.417 10 0 AEAERN CCc1cc(F)c(O)cc1F 204612086 1169314533 /nfs/dbraw/zinc/31/45/33/1169314533.db2.gz JWLDQRJTLWHOJW-UHFFFAOYSA-N 0 0 158.147 2.233 10 0 AEAERN OCc1ccc(CC2CC2)cc1 204359525 1169314647 /nfs/dbraw/zinc/31/46/47/1169314647.db2.gz RKFZCNIEHKGGFP-UHFFFAOYSA-N 0 0 162.232 2.131 10 0 AEAERN c1ccc(-c2cnc3ccnn3c2)cc1 204685207 1169314758 /nfs/dbraw/zinc/31/47/58/1169314758.db2.gz FFZZBWMZADBGCY-UHFFFAOYSA-N 0 0 195.225 2.396 10 0 AEAERN Cc1ccc(OC2COC2)c(C)c1 204319948 1169314841 /nfs/dbraw/zinc/31/48/41/1169314841.db2.gz NFMHPWLANXCFHK-UHFFFAOYSA-N 0 0 178.231 2.081 10 0 AEAERN CCc1ccc2cncnc2c1 204841085 1169315013 /nfs/dbraw/zinc/31/50/13/1169315013.db2.gz HCCHEFLMILLAGQ-UHFFFAOYSA-N 0 0 158.204 2.192 10 0 AEAERN COc1cc(F)c(C)cc1F 204438813 1169315758 /nfs/dbraw/zinc/31/57/58/1169315758.db2.gz RIDZLVJSQQUWAB-UHFFFAOYSA-N 0 0 158.147 2.282 10 0 AEAERN Cc1ccc(OC[C@@H]2CCO2)c(C)c1 204882460 1169316123 /nfs/dbraw/zinc/31/61/23/1169316123.db2.gz ZZYLNBXHCYNPJS-NSHDSACASA-N 0 0 192.258 2.471 10 0 AEAERN C=Cc1cccc(SC)n1 209806673 1169323980 /nfs/dbraw/zinc/32/39/80/1169323980.db2.gz KZXVWFQPESIRLD-UHFFFAOYSA-N 0 0 151.234 2.447 10 0 AEAERN CCc1cc(F)c(CO)c(F)c1 205983734 1169320446 /nfs/dbraw/zinc/32/04/46/1169320446.db2.gz DGFNBCHHEYDDCA-UHFFFAOYSA-N 0 0 172.174 2.020 10 0 AEAERN C=Cc1cnc2[nH]ccc2c1F 209828357 1169321536 /nfs/dbraw/zinc/32/15/36/1169321536.db2.gz JSUBLWNBBFVDQH-UHFFFAOYSA-N 0 0 162.167 2.345 10 0 AEAERN C=Cc1nccc2ccncc12 208342019 1169321629 /nfs/dbraw/zinc/32/16/29/1169321629.db2.gz VPMZSFJYFBKACG-UHFFFAOYSA-N 0 0 156.188 2.273 10 0 AEAERN C=Cc1c(C)cc(OC)nc1C 209808670 1169321802 /nfs/dbraw/zinc/32/18/02/1169321802.db2.gz LSYXCFSWFYIQOV-UHFFFAOYSA-N 0 0 163.220 2.350 10 0 AEAERN C=Cc1cnc2ccoc2c1 208344850 1169321816 /nfs/dbraw/zinc/32/18/16/1169321816.db2.gz WYKBZUNHNDDXCI-UHFFFAOYSA-N 0 0 145.161 2.471 10 0 AEAERN C=Cc1cc(F)cc(F)n1 209824016 1169322004 /nfs/dbraw/zinc/32/20/04/1169322004.db2.gz RFHBTKLXANNDDM-UHFFFAOYSA-N 0 0 141.120 2.003 10 0 AEAERN C=Cc1ccnc(OC)c1C 209805425 1169322111 /nfs/dbraw/zinc/32/21/11/1169322111.db2.gz QQIIMHPOKAZLFO-UHFFFAOYSA-N 0 0 149.193 2.042 10 0 AEAERN CCCCOC(=O)Nc1ccncc1 206721456 1169322170 /nfs/dbraw/zinc/32/21/70/1169322170.db2.gz SEWNDMQKMJWJHI-UHFFFAOYSA-N 0 0 194.234 2.430 10 0 AEAERN C=Cc1cc(C)cc(F)n1 209752727 1169322510 /nfs/dbraw/zinc/32/25/10/1169322510.db2.gz VMYVBRDSEGSPCW-UHFFFAOYSA-N 0 0 137.157 2.172 10 0 AEAERN C=Cc1ccc(C)c(F)n1 209756687 1169322548 /nfs/dbraw/zinc/32/25/48/1169322548.db2.gz CMMIWBRKAMGNHO-UHFFFAOYSA-N 0 0 137.157 2.172 10 0 AEAERN C=Cc1cc(C)nc(OC)c1 209805519 1169322707 /nfs/dbraw/zinc/32/27/07/1169322707.db2.gz NGSKQISEHYBGAK-UHFFFAOYSA-N 0 0 149.193 2.042 10 0 AEAERN C=Cc1ccc(C)nc1OC 209808964 1169322817 /nfs/dbraw/zinc/32/28/17/1169322817.db2.gz XHYGRJUAVNLQTO-UHFFFAOYSA-N 0 0 149.193 2.042 10 0 AEAERN C=Cc1cnc2cc[nH]c2c1 208343921 1169322825 /nfs/dbraw/zinc/32/28/25/1169322825.db2.gz MUXHAZTVGDZQFM-UHFFFAOYSA-N 0 0 144.177 2.206 10 0 AEAERN C=Cc1ncccc1SC 209806720 1169322840 /nfs/dbraw/zinc/32/28/40/1169322840.db2.gz KMMDYRXVNGRNKM-UHFFFAOYSA-N 0 0 151.234 2.447 10 0 AEAERN C=Cc1cc(F)ncc1C 209761510 1169322948 /nfs/dbraw/zinc/32/29/48/1169322948.db2.gz HGYSGLLBXNPZFT-UHFFFAOYSA-N 0 0 137.157 2.172 10 0 AEAERN C=Cc1ccc(SC)cn1 209806619 1169322965 /nfs/dbraw/zinc/32/29/65/1169322965.db2.gz SXHFXEVBRRYUGR-UHFFFAOYSA-N 0 0 151.234 2.447 10 0 AEAERN C=Cc1cnc(F)c(F)c1 209831134 1169323071 /nfs/dbraw/zinc/32/30/71/1169323071.db2.gz ZQZWUFNNAZRQMX-UHFFFAOYSA-N 0 0 141.120 2.003 10 0 AEAERN C=Cc1nccc2cccnc12 208346940 1169323113 /nfs/dbraw/zinc/32/31/13/1169323113.db2.gz OMPUFRMULGXHNZ-UHFFFAOYSA-N 0 0 156.188 2.273 10 0 AEAERN C=Cc1ccc2cnccc2n1 208343012 1169323178 /nfs/dbraw/zinc/32/31/78/1169323178.db2.gz QOCRHJGHXFXFJL-UHFFFAOYSA-N 0 0 156.188 2.273 10 0 AEAERN C=Cc1ccc2ccncc2n1 208342958 1169323348 /nfs/dbraw/zinc/32/33/48/1169323348.db2.gz AGECUNDPJWRYDS-UHFFFAOYSA-N 0 0 156.188 2.273 10 0 AEAERN C=Cc1cncc2cccnc12 208345654 1169323504 /nfs/dbraw/zinc/32/35/04/1169323504.db2.gz CKOOHYKRUSXRBW-UHFFFAOYSA-N 0 0 156.188 2.273 10 0 AEAERN C=Cc1ncc(C)cc1OC 209804947 1169323676 /nfs/dbraw/zinc/32/36/76/1169323676.db2.gz OULWXENRMZHEFA-UHFFFAOYSA-N 0 0 149.193 2.042 10 0 AEAERN C=Cc1cc(C)c(OC)cn1 209805207 1169323692 /nfs/dbraw/zinc/32/36/92/1169323692.db2.gz AJYSWSKYXFZOJX-UHFFFAOYSA-N 0 0 149.193 2.042 10 0 AEAERN C=Cc1cc2cc[nH]c2cn1 208344140 1169323734 /nfs/dbraw/zinc/32/37/34/1169323734.db2.gz PGUPYERUMISOBH-UHFFFAOYSA-N 0 0 144.177 2.206 10 0 AEAERN C=Cc1cncc(OC)c1C 209804722 1169323789 /nfs/dbraw/zinc/32/37/89/1169323789.db2.gz PKFVOOKLMSNWLT-UHFFFAOYSA-N 0 0 149.193 2.042 10 0 AEAERN C=Cc1ccnc(F)c1F 209824145 1169323937 /nfs/dbraw/zinc/32/39/37/1169323937.db2.gz PNIXMSNXCGZXCL-UHFFFAOYSA-N 0 0 141.120 2.003 10 0 AEAERN C=Cc1ccnc(F)c1C 209742783 1169323944 /nfs/dbraw/zinc/32/39/44/1169323944.db2.gz KRFAHWQQWBSUCG-UHFFFAOYSA-N 0 0 137.157 2.172 10 0 AEAERN C=Cc1c(F)ccnc1F 209823934 1169323962 /nfs/dbraw/zinc/32/39/62/1169323962.db2.gz JWHITHANROIOOM-UHFFFAOYSA-N 0 0 141.120 2.003 10 0 AEAERN CCC(=O)NC/C=C/c1ccccc1 210487895 1169323969 /nfs/dbraw/zinc/32/39/69/1169323969.db2.gz AITWVYQOLLMGJW-RMKNXTFCSA-N 0 0 189.258 2.226 10 0 AEAERN C=Cc1cc(C)cc(OC)n1 209805071 1169324093 /nfs/dbraw/zinc/32/40/93/1169324093.db2.gz ANQMBDMRRSREDZ-UHFFFAOYSA-N 0 0 149.193 2.042 10 0 AEAERN C=Cc1cc(F)cnc1F 209823891 1169324144 /nfs/dbraw/zinc/32/41/44/1169324144.db2.gz ZGKCFVGLKHROMZ-UHFFFAOYSA-N 0 0 141.120 2.003 10 0 AEAERN C=Cc1ccc(F)nc1C 209764532 1169324202 /nfs/dbraw/zinc/32/42/02/1169324202.db2.gz WUIZQBZFSLEJGT-UHFFFAOYSA-N 0 0 137.157 2.172 10 0 AEAERN C=Cc1cc(OC)cnc1C 209804517 1169324264 /nfs/dbraw/zinc/32/42/64/1169324264.db2.gz UTGBYLKPZDPXKN-UHFFFAOYSA-N 0 0 149.193 2.042 10 0 AEAERN C=Cc1ccc(OC)c(C)n1 209804814 1169324587 /nfs/dbraw/zinc/32/45/87/1169324587.db2.gz ADMRKQAYOORUPL-UHFFFAOYSA-N 0 0 149.193 2.042 10 0 AEAERN Cn1cncc1-c1ccccc1F 208377122 1169324600 /nfs/dbraw/zinc/32/46/00/1169324600.db2.gz SMIXNRFOALNNPD-UHFFFAOYSA-N 0 0 176.194 2.226 10 0 AEAERN C=Cc1ncc(F)c2[nH]ccc12 209828437 1169324730 /nfs/dbraw/zinc/32/47/30/1169324730.db2.gz PJPNAKNADVFDAB-UHFFFAOYSA-N 0 0 162.167 2.345 10 0 AEAERN C=Cc1ncc(F)cc1F 209823977 1169324770 /nfs/dbraw/zinc/32/47/70/1169324770.db2.gz SDJPTLSUTBHXJG-UHFFFAOYSA-N 0 0 141.120 2.003 10 0 AEAERN C=Cc1nccc2cnccc12 208341848 1169324786 /nfs/dbraw/zinc/32/47/86/1169324786.db2.gz OWFRJKBNMJDOBP-UHFFFAOYSA-N 0 0 156.188 2.273 10 0 AEAERN CNc1ccc(CC(F)(F)F)cn1 208278423 1169324902 /nfs/dbraw/zinc/32/49/02/1169324902.db2.gz NBMJUCGLWPRESO-UHFFFAOYSA-N 0 0 190.168 2.228 10 0 AEAERN C=Cc1ncc(OC)cc1C 209805158 1169324929 /nfs/dbraw/zinc/32/49/29/1169324929.db2.gz HHHDXWMVTPDOSQ-UHFFFAOYSA-N 0 0 149.193 2.042 10 0 AEAERN C=Cc1nc(C)ccc1OC 209804766 1169324958 /nfs/dbraw/zinc/32/49/58/1169324958.db2.gz KVPXDUAXZTYKPT-UHFFFAOYSA-N 0 0 149.193 2.042 10 0 AEAERN C=CC(=O)NC/C=C\c1ccccc1 208837038 1169324997 /nfs/dbraw/zinc/32/49/97/1169324997.db2.gz VTFDZRXHNIHXAX-TWGQIWQCSA-N 0 0 187.242 2.002 10 0 AEAERN C=Cc1ccc(F)nc1F 209823850 1169325019 /nfs/dbraw/zinc/32/50/19/1169325019.db2.gz IDBIJICSGUDPON-UHFFFAOYSA-N 0 0 141.120 2.003 10 0 AEAERN C=Cc1cncc(SC)c1 209809061 1169325028 /nfs/dbraw/zinc/32/50/28/1169325028.db2.gz XDIIAIJEIQQDCX-UHFFFAOYSA-N 0 0 151.234 2.447 10 0 AEAERN CCCCCCc1nnco1 211504394 1169328050 /nfs/dbraw/zinc/32/80/50/1169328050.db2.gz HPBCCCACYJSNHG-UHFFFAOYSA-N 0 0 154.213 2.192 10 0 AEAERN COc1cc(CO)ccc1C1CC1 212767075 1169330222 /nfs/dbraw/zinc/33/02/22/1169330222.db2.gz SIKMPYRJULKAKV-UHFFFAOYSA-N 0 0 178.231 2.065 10 0 AEAERN COc1cc(O)ccc1C1CC1 212186561 1169330291 /nfs/dbraw/zinc/33/02/91/1169330291.db2.gz RGZAGSLPRUBGPD-UHFFFAOYSA-N 0 0 164.204 2.278 10 0 AEAERN COc1ccc(C2CC2)cc1O 212186650 1169330945 /nfs/dbraw/zinc/33/09/45/1169330945.db2.gz JPJMQIYTEBJMCQ-UHFFFAOYSA-N 0 0 164.204 2.278 10 0 AEAERN c1cnc2cc(C3CC3)[nH]c2c1 212058294 1169330998 /nfs/dbraw/zinc/33/09/98/1169330998.db2.gz JAPAPQMCCFYLFS-UHFFFAOYSA-N 0 0 158.204 2.440 10 0 AEAERN Cc1ccc([C@H](C)C(=O)N(C)C)cc1 212049676 1169331305 /nfs/dbraw/zinc/33/13/05/1169331305.db2.gz RBUVAKLNCWOLLA-JTQLQIEISA-N 0 0 191.274 2.187 10 0 AEAERN c1cnc2[nH]cc(C3CC3)c2c1 212058395 1169331491 /nfs/dbraw/zinc/33/14/91/1169331491.db2.gz QDWUDIJEBAIUEC-UHFFFAOYSA-N 0 0 158.204 2.440 10 0 AEAERN CC(F)(F)c1ccccc1CO 212512473 1169333026 /nfs/dbraw/zinc/33/30/26/1169333026.db2.gz NPCJVTKQIPVTIU-UHFFFAOYSA-N 0 0 172.174 2.291 10 0 AEAERN Cc1ccc2[nH]c([C@H](C)[NH3+])nc2c1C 213125183 1169333432 /nfs/dbraw/zinc/33/34/32/1169333432.db2.gz JIWVQLDRSYYOGA-QMMMGPOBSA-N 0 0 189.262 2.199 10 0 AEAERN Cc1ccc2[nH]c([C@@H](C)[NH3+])nc2c1C 213125122 1169333795 /nfs/dbraw/zinc/33/37/95/1169333795.db2.gz JIWVQLDRSYYOGA-MRVPVSSYSA-N 0 0 189.262 2.199 10 0 AEAERN CC(C)(O)/C=C/c1ccccc1N 217486881 1169335792 /nfs/dbraw/zinc/33/57/92/1169335792.db2.gz QOUKDBWDPFWWTA-BQYQJAHWSA-N 0 0 177.247 2.053 10 0 AEAERN CC(C)(O)/C=C/c1ccc(N)cc1 217487306 1169336409 /nfs/dbraw/zinc/33/64/09/1169336409.db2.gz HSUNJCPLVKSLPW-BQYQJAHWSA-N 0 0 177.247 2.053 10 0 AEAERN Nc1ccc(C2=CCOCC2)cc1F 217943671 1169339925 /nfs/dbraw/zinc/33/99/25/1169339925.db2.gz MZBJJBHFNPYQMP-UHFFFAOYSA-N 0 0 193.221 2.212 10 0 AEAERN c1ccc2[nH]c(-c3cncnc3)nc2c1 218538830 1169342444 /nfs/dbraw/zinc/34/24/44/1169342444.db2.gz GPYYZAYWAPXNOF-UHFFFAOYSA-N 0 0 196.213 2.020 10 0 AEAERN Cc1cccc(-c2cnoc2)n1 218915715 1169343871 /nfs/dbraw/zinc/34/38/71/1169343871.db2.gz WONNOOJWGLITKL-UHFFFAOYSA-N 0 0 160.176 2.045 10 0 AEAERN Cc1ccc(Cl)nc1N(C)C 218934716 1169343884 /nfs/dbraw/zinc/34/38/84/1169343884.db2.gz SIPXLPGITZWTPB-UHFFFAOYSA-N 0 0 170.643 2.109 10 0 AEAERN C=CC(=O)NCc1cccc(CC)c1 218883276 1169344108 /nfs/dbraw/zinc/34/41/08/1169344108.db2.gz AOAGQUPAJQHKAT-UHFFFAOYSA-N 0 0 189.258 2.051 10 0 AEAERN O=C(OCC(F)(F)F)C1CCCC1 219500153 1169346264 /nfs/dbraw/zinc/34/62/64/1169346264.db2.gz VRKZDJRAARUPSB-UHFFFAOYSA-N 0 0 196.168 2.282 10 0 AEAERN C=Cc1ccc2c(c1)OCC2 219907788 1169346914 /nfs/dbraw/zinc/34/69/14/1169346914.db2.gz CADXOVXVXNYZCS-UHFFFAOYSA-N 0 0 146.189 2.265 10 0 AEAERN Nc1cc(-c2ccccc2)ncc1F 219870148 1169347505 /nfs/dbraw/zinc/34/75/05/1169347505.db2.gz BVAPJKJFEDNLJQ-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN CCCc1cccc(CC(=O)OC)c1 219469867 1169347514 /nfs/dbraw/zinc/34/75/14/1169347514.db2.gz CZMXVMYSDSCXGP-UHFFFAOYSA-N 0 0 192.258 2.355 10 0 AEAERN Cc1ccc(-c2cccnc2N)nc1 219755417 1169347759 /nfs/dbraw/zinc/34/77/59/1169347759.db2.gz DNONWGGQCYYORP-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1noc(N[C@@H]2CCCC[C@H]2C)n1 221228243 1169349062 /nfs/dbraw/zinc/34/90/62/1169349062.db2.gz LGCCMHCBBNIZRW-VXNVDRBHSA-N 0 0 195.266 2.369 10 0 AEAERN CCCC[C@@H](C)NC(=O)NCC1CC1 221249419 1169349904 /nfs/dbraw/zinc/34/99/04/1169349904.db2.gz QBUFFWMWAFOTRX-SECBINFHSA-N 0 0 198.310 2.274 10 0 AEAERN Cc1noc(N[C@H]2CCCC[C@@H]2C)n1 221228187 1169349971 /nfs/dbraw/zinc/34/99/71/1169349971.db2.gz LGCCMHCBBNIZRW-CBAPKCEASA-N 0 0 195.266 2.369 10 0 AEAERN Cc1noc(N[C@H]2CCCC[C@H]2C)n1 221228295 1169350744 /nfs/dbraw/zinc/35/07/44/1169350744.db2.gz LGCCMHCBBNIZRW-APPZFPTMSA-N 0 0 195.266 2.369 10 0 AEAERN CCCC[C@H](C)NC(=O)NCC1CC1 221249473 1169351666 /nfs/dbraw/zinc/35/16/66/1169351666.db2.gz QBUFFWMWAFOTRX-VIFPVBQESA-N 0 0 198.310 2.274 10 0 AEAERN Cc1noc(N[C@@H]2CCCC[C@@H]2C)n1 221228128 1169351861 /nfs/dbraw/zinc/35/18/61/1169351861.db2.gz LGCCMHCBBNIZRW-IONNQARKSA-N 0 0 195.266 2.369 10 0 AEAERN c1ccc(O[C@H]2CCCOC2)cc1 221687100 1169352978 /nfs/dbraw/zinc/35/29/78/1169352978.db2.gz LGQZSKHFJWUBRU-NSHDSACASA-N 0 0 178.231 2.244 10 0 AEAERN CC(=O)[C@H](C)Oc1cc(C)cc(O)c1 221495292 1169353067 /nfs/dbraw/zinc/35/30/67/1169353067.db2.gz JSOQCOXPXGHGLC-VIFPVBQESA-N 0 0 194.230 2.057 10 0 AEAERN CCCC[C@@H](CCC)OCCO 221728197 1169353096 /nfs/dbraw/zinc/35/30/96/1169353096.db2.gz MDWAZKBAAHRVBD-SNVBAGLBSA-N 0 0 174.284 2.354 10 0 AEAERN CC(=O)[C@@H](C)Oc1cc(C)cc(O)c1 221495343 1169353483 /nfs/dbraw/zinc/35/34/83/1169353483.db2.gz JSOQCOXPXGHGLC-SECBINFHSA-N 0 0 194.230 2.057 10 0 AEAERN CCCc1nnc(C(F)(F)F)o1 221677752 1169354046 /nfs/dbraw/zinc/35/40/46/1169354046.db2.gz SIOHJCADSVBDKU-UHFFFAOYSA-N 0 0 180.129 2.041 10 0 AEAERN CCCC[C@H](CCC)OCCO 221728252 1169354185 /nfs/dbraw/zinc/35/41/85/1169354185.db2.gz MDWAZKBAAHRVBD-JTQLQIEISA-N 0 0 174.284 2.354 10 0 AEAERN Cc1csc2cnc(N(C)C)nc12 221412898 1169355035 /nfs/dbraw/zinc/35/50/35/1169355035.db2.gz FNRXJGDQDGFTOV-UHFFFAOYSA-N 0 0 193.275 2.066 10 0 AEAERN c1ccc(O[C@@H]2CCCOC2)cc1 221687046 1169355682 /nfs/dbraw/zinc/35/56/82/1169355682.db2.gz LGQZSKHFJWUBRU-LLVKDONJSA-N 0 0 178.231 2.244 10 0 AEAERN Fc1cnccc1-c1ccccn1 222592685 1169357346 /nfs/dbraw/zinc/35/73/46/1169357346.db2.gz JDWXAIQAHPAVLT-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN CC[C@@H](C)N(C)CC(F)(F)F 223817047 1169360099 /nfs/dbraw/zinc/36/00/99/1169360099.db2.gz FCIFAANWNUXGBE-ZCFIWIBFSA-N 0 0 169.190 2.279 10 0 AEAERN CCC1=CCC2(CC1)OCCO2 223756243 1169361064 /nfs/dbraw/zinc/36/10/64/1169361064.db2.gz FMVCPCRISQPVCH-UHFFFAOYSA-N 0 0 168.236 2.250 10 0 AEAERN CCC[C@H](CC)[N@@H+]1CCC(=O)[C@@H](C)C1 224504782 1169366168 /nfs/dbraw/zinc/36/61/68/1169366168.db2.gz KCXGYARWURAELB-QWRGUYRKSA-N 0 0 197.322 2.476 10 0 AEAERN CC[C@H](C)N(C)CC(F)(F)F 223817060 1169361639 /nfs/dbraw/zinc/36/16/39/1169361639.db2.gz FCIFAANWNUXGBE-LURJTMIESA-N 0 0 169.190 2.279 10 0 AEAERN CCOC(=O)[C@H](C)OC(CC)CC 224142397 1169361957 /nfs/dbraw/zinc/36/19/57/1169361957.db2.gz BMIGSAYDZJDRFM-QMMMGPOBSA-N 0 0 188.267 2.143 10 0 AEAERN CCCc1ccc(O)cc1F 223745783 1169362381 /nfs/dbraw/zinc/36/23/81/1169362381.db2.gz BSTRZBNZBFAZBD-UHFFFAOYSA-N 0 0 154.184 2.484 10 0 AEAERN CCc1nc2cc(F)ccc2n1C 223628400 1169362951 /nfs/dbraw/zinc/36/29/51/1169362951.db2.gz VOQHURPLVHNFPA-UHFFFAOYSA-N 0 0 178.210 2.275 10 0 AEAERN CCc1ccc(C)c(C(=O)OC)c1 224205875 1169365304 /nfs/dbraw/zinc/36/53/04/1169365304.db2.gz CYJXCFZLMULEKY-UHFFFAOYSA-N 0 0 178.231 2.344 10 0 AEAERN C=Cc1ccc(-n2cnc(C)n2)cc1 224839691 1169365563 /nfs/dbraw/zinc/36/55/63/1169365563.db2.gz JEQQLPDGYYPRHR-UHFFFAOYSA-N 0 0 185.230 2.219 10 0 AEAERN C=Cc1ccc(-n2cncn2)c(C)c1 224854795 1169366512 /nfs/dbraw/zinc/36/65/12/1169366512.db2.gz BNGLCWMUNPXHMI-UHFFFAOYSA-N 0 0 185.230 2.219 10 0 AEAERN CCC[C@@H](CC)[N@@H+]1CCC(=O)[C@@H](C)C1 224504737 1169366714 /nfs/dbraw/zinc/36/67/14/1169366714.db2.gz KCXGYARWURAELB-WDEREUQCSA-N 0 0 197.322 2.476 10 0 AEAERN Fc1ccc(O[C@H]2CCCOC2)cc1 225342674 1169367579 /nfs/dbraw/zinc/36/75/79/1169367579.db2.gz SDSCZVIPWGOCQB-NSHDSACASA-N 0 0 196.221 2.384 10 0 AEAERN Fc1ccccc1O[C@@H]1CCCOC1 225342366 1169367655 /nfs/dbraw/zinc/36/76/55/1169367655.db2.gz QWNVVQOAPIHGMO-SECBINFHSA-N 0 0 196.221 2.384 10 0 AEAERN Fc1ccccc1O[C@H]1CCCOC1 225342405 1169368011 /nfs/dbraw/zinc/36/80/11/1169368011.db2.gz QWNVVQOAPIHGMO-VIFPVBQESA-N 0 0 196.221 2.384 10 0 AEAERN Fc1ccc(O[C@@H]2CCCOC2)cc1 225342635 1169368385 /nfs/dbraw/zinc/36/83/85/1169368385.db2.gz SDSCZVIPWGOCQB-LLVKDONJSA-N 0 0 196.221 2.384 10 0 AEAERN O=C1CCN(CCCC2CCCC2)C1 224987737 1169369781 /nfs/dbraw/zinc/36/97/81/1169369781.db2.gz MYXYNAGOOYYUQT-UHFFFAOYSA-N 0 0 195.306 2.232 10 0 AEAERN CCc1cc(C)c(CO)c(C)c1 225456441 1169370660 /nfs/dbraw/zinc/37/06/60/1169370660.db2.gz CEZGQPXODSUPKF-UHFFFAOYSA-N 0 0 164.248 2.358 10 0 AEAERN CC(C)Oc1ccc2n[nH]cc2c1 225559966 1169370666 /nfs/dbraw/zinc/37/06/66/1169370666.db2.gz LHMQKMIRBUVCTB-UHFFFAOYSA-N 0 0 176.219 2.350 10 0 AEAERN C/C=C(C)/C=C/C(=O)N1CCCC1 225752014 1169371772 /nfs/dbraw/zinc/37/17/72/1169371772.db2.gz OKSCLBQTIDSDHT-RAMOOHJPSA-N 0 0 179.263 2.131 10 0 AEAERN CCCC[C@@H](CCC)NC#N 226027540 1169373427 /nfs/dbraw/zinc/37/34/27/1169373427.db2.gz JTKSDCGCPFDIHA-SECBINFHSA-N 0 0 154.257 2.416 10 0 AEAERN CCCC[C@H](CCC)NC#N 226027549 1169374522 /nfs/dbraw/zinc/37/45/22/1169374522.db2.gz JTKSDCGCPFDIHA-VIFPVBQESA-N 0 0 154.257 2.416 10 0 AEAERN Cc1ccc(-c2nnco2)cc1C 226012589 1169376173 /nfs/dbraw/zinc/37/61/73/1169376173.db2.gz VWLLQHNSWOHLJG-UHFFFAOYSA-N 0 0 174.203 2.353 10 0 AEAERN Cc1ccc(OC2CC(O)C2)cc1F 226443751 1169377290 /nfs/dbraw/zinc/37/72/90/1169377290.db2.gz LKJAQKCMUPIIKX-UHFFFAOYSA-N 0 0 196.221 2.036 10 0 AEAERN CC(=O)[C@@H](C)Oc1ccc(C)c(F)c1 226424694 1169377409 /nfs/dbraw/zinc/37/74/09/1169377409.db2.gz FRJNZUCEAJJWIQ-SECBINFHSA-N 0 0 196.221 2.490 10 0 AEAERN CC(=O)[C@H](C)Oc1ccc(C)c(F)c1 226424700 1169378023 /nfs/dbraw/zinc/37/80/23/1169378023.db2.gz FRJNZUCEAJJWIQ-VIFPVBQESA-N 0 0 196.221 2.490 10 0 AEAERN Cc1ccc(OC2CC(=O)C2)cc1F 226443577 1169378420 /nfs/dbraw/zinc/37/84/20/1169378420.db2.gz HADIPPKLFABARA-UHFFFAOYSA-N 0 0 194.205 2.244 10 0 AEAERN Cc1cccc(O[C@H](C)[C@H](C)O)c1F 227196809 1169378761 /nfs/dbraw/zinc/37/87/61/1169378761.db2.gz PLLRPDVEPYIWKN-DTWKUNHWSA-N 0 0 198.237 2.282 10 0 AEAERN Cc1cccc(O[C@@H](C)[C@@H](C)O)c1F 227196800 1169379285 /nfs/dbraw/zinc/37/92/85/1169379285.db2.gz PLLRPDVEPYIWKN-BDAKNGLRSA-N 0 0 198.237 2.282 10 0 AEAERN Cc1cccc(O[C@@H](C)[C@H](C)O)c1F 227196807 1169379361 /nfs/dbraw/zinc/37/93/61/1169379361.db2.gz PLLRPDVEPYIWKN-IUCAKERBSA-N 0 0 198.237 2.282 10 0 AEAERN Cc1cccc(O[C@H](C)[C@@H](C)O)c1F 227196805 1169379460 /nfs/dbraw/zinc/37/94/60/1169379460.db2.gz PLLRPDVEPYIWKN-RKDXNWHRSA-N 0 0 198.237 2.282 10 0 AEAERN Cc1cncc(-c2cnc(N)cc2C)c1 227963290 1169380399 /nfs/dbraw/zinc/38/03/99/1169380399.db2.gz NPOUGLJLQXKPGU-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1cncc(-c2ccc(N)nc2C)c1 227963225 1169380549 /nfs/dbraw/zinc/38/05/49/1169380549.db2.gz CBKKJCFCRJBYAQ-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1cncc(-c2ccc(N)nc2)c1 227963205 1169382547 /nfs/dbraw/zinc/38/25/47/1169382547.db2.gz LSACONQHBORKLZ-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cn1cc[nH+]c1Nc1ccccc1 229311574 1169387234 /nfs/dbraw/zinc/38/72/34/1169387234.db2.gz JZAJJHYCUPXUJD-UHFFFAOYSA-N 0 0 173.219 2.164 10 0 AEAERN CC[C@H](C)NC1(C(F)(F)F)CC1 229653889 1169390718 /nfs/dbraw/zinc/39/07/18/1169390718.db2.gz PDVGFXLMHAAEPY-LURJTMIESA-N 0 0 181.201 2.469 10 0 AEAERN Cc1cc(-c2cnc(N)cc2C)ccn1 229579558 1169392395 /nfs/dbraw/zinc/39/23/95/1169392395.db2.gz ORUWBEHCKGCSRT-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1cc(-c2ccc(N)nc2C)ccn1 229579588 1169392588 /nfs/dbraw/zinc/39/25/88/1169392588.db2.gz VPYRTXMKAYAXFW-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CC[C@@H](C)NC1(C(F)(F)F)CC1 229653882 1169392660 /nfs/dbraw/zinc/39/26/60/1169392660.db2.gz PDVGFXLMHAAEPY-ZCFIWIBFSA-N 0 0 181.201 2.469 10 0 AEAERN Cc1cc(-c2ncccc2N)ccn1 229579183 1169392680 /nfs/dbraw/zinc/39/26/80/1169392680.db2.gz FWNHFKINMVGICL-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1cc(-c2cnc(N)c(C)c2)ccn1 229579768 1169392766 /nfs/dbraw/zinc/39/27/66/1169392766.db2.gz HJLRBDIEQCMIFT-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CCC[C@@H](C)OCCCC(=O)OC 230426854 1169397520 /nfs/dbraw/zinc/39/75/20/1169397520.db2.gz FNOPQQRRCAFQKV-SECBINFHSA-N 0 0 188.267 2.145 10 0 AEAERN COc1cnc(-c2ccccc2)cn1 230510582 1169397608 /nfs/dbraw/zinc/39/76/08/1169397608.db2.gz LXHSBPQKCHURIL-UHFFFAOYSA-N 0 0 186.214 2.152 10 0 AEAERN Cc1noc(NC[C@H]2CC[C@H](C)C2)n1 230432019 1169398722 /nfs/dbraw/zinc/39/87/22/1169398722.db2.gz FFOAXFUROOZENO-CBAPKCEASA-N 0 0 195.266 2.226 10 0 AEAERN Cc1noc(NC[C@H]2CC[C@@H](C)C2)n1 230432014 1169398783 /nfs/dbraw/zinc/39/87/83/1169398783.db2.gz FFOAXFUROOZENO-APPZFPTMSA-N 0 0 195.266 2.226 10 0 AEAERN CCC[C@H](C)OCCCC(=O)OC 230426857 1169398811 /nfs/dbraw/zinc/39/88/11/1169398811.db2.gz FNOPQQRRCAFQKV-VIFPVBQESA-N 0 0 188.267 2.145 10 0 AEAERN c1cc2c(c(-c3ncc[nH]3)c1)NCC2 230367518 1169398828 /nfs/dbraw/zinc/39/88/28/1169398828.db2.gz FBBBWPNUIPOJDT-UHFFFAOYSA-N 0 0 185.230 2.045 10 0 AEAERN CCC[C@H](C)OCCC(=O)OCC 230426832 1169398908 /nfs/dbraw/zinc/39/89/08/1169398908.db2.gz YJJYWBBDMZTDBE-VIFPVBQESA-N 0 0 188.267 2.145 10 0 AEAERN CCC[C@@H](C)OCCC(=O)OCC 230426828 1169399046 /nfs/dbraw/zinc/39/90/46/1169399046.db2.gz YJJYWBBDMZTDBE-SECBINFHSA-N 0 0 188.267 2.145 10 0 AEAERN Cc1noc(NC[C@@H]2CC[C@H](C)C2)n1 230432017 1169399180 /nfs/dbraw/zinc/39/91/80/1169399180.db2.gz FFOAXFUROOZENO-IONNQARKSA-N 0 0 195.266 2.226 10 0 AEAERN CC(=O)[C@@H](C)Oc1cc(F)ccc1C 230549743 1169399414 /nfs/dbraw/zinc/39/94/14/1169399414.db2.gz ONWRHIBXMIMJIO-SECBINFHSA-N 0 0 196.221 2.490 10 0 AEAERN C=Cc1cnn(C(C)C)c1 230584678 1169399799 /nfs/dbraw/zinc/39/97/99/1169399799.db2.gz GHCKMWFMEGHQFM-UHFFFAOYSA-N 0 0 136.198 2.107 10 0 AEAERN Cc1noc(NC[C@@H]2CC[C@@H](C)C2)n1 230432011 1169399814 /nfs/dbraw/zinc/39/98/14/1169399814.db2.gz FFOAXFUROOZENO-VXNVDRBHSA-N 0 0 195.266 2.226 10 0 AEAERN CCC[C@@H](C)OCC(=O)CC 230559813 1169400220 /nfs/dbraw/zinc/40/02/20/1169400220.db2.gz VRCBRUGVZLEKQE-MRVPVSSYSA-N 0 0 158.241 2.171 10 0 AEAERN CCOc1ccccc1-c1cn[nH]c1 230562541 1169400355 /nfs/dbraw/zinc/40/03/55/1169400355.db2.gz 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HSIFVIIVWQRNFE-ZUJXDTADSA-N 0 0 181.279 2.210 10 0 AEAERN Cn1cnc(-c2ccc3c(c2)NCC3)c1 389348001 1169638413 /nfs/dbraw/zinc/63/84/13/1169638413.db2.gz WHBKOLHXIUNHBW-UHFFFAOYSA-N 0 0 199.257 2.055 10 0 AEAERN Cc1cc(-c2ccc(N)nc2)cnc1C 389692982 1169638461 /nfs/dbraw/zinc/63/84/61/1169638461.db2.gz IDCIJLXKJQKYKJ-UHFFFAOYSA-N 0 0 199.257 2.173 10 0 AEAERN CC(=O)c1cc(-c2ccncc2)ccn1 389638756 1169639408 /nfs/dbraw/zinc/63/94/08/1169639408.db2.gz PLNDKBHSSZZJAD-UHFFFAOYSA-N 0 0 198.225 2.346 10 0 AEAERN Cc1cc(-c2ccncc2N)cc(C)n1 389442857 1169639437 /nfs/dbraw/zinc/63/94/37/1169639437.db2.gz KKCLKIWLYCRTCT-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1cc(-c2cncc(N)c2)cnc1C 389667277 1169639640 /nfs/dbraw/zinc/63/96/40/1169639640.db2.gz PXMICEBRDFPRFY-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CC(C)OC(=O)N[C@H](C)C(F)(F)F 389516730 1169639669 /nfs/dbraw/zinc/63/96/69/1169639669.db2.gz VQENPYZHLRVBST-RXMQYKEDSA-N 0 0 199.172 2.072 10 0 AEAERN CCC(CC)N(C)CC(F)F 393584571 1169643195 /nfs/dbraw/zinc/64/31/95/1169643195.db2.gz ILNNXJRXTQYKGN-UHFFFAOYSA-N 0 0 165.227 2.372 10 0 AEAERN C[C@@H]1C[C@@H]1COC(=O)/C=C/C1CC1 394373663 1169648936 /nfs/dbraw/zinc/64/89/36/1169648936.db2.gz JGBGHEJHOPJLBX-XQULCHSSSA-N 0 0 180.247 2.152 10 0 AEAERN Cc1cnc(-c2ccc(N)nc2)c(C)c1 394864765 1169649043 /nfs/dbraw/zinc/64/90/43/1169649043.db2.gz OGFSDYUGJGDKIZ-UHFFFAOYSA-N 0 0 199.257 2.173 10 0 AEAERN Cc1cnc(-c2cccnc2N)c(C)c1 394875913 1169650569 /nfs/dbraw/zinc/65/05/69/1169650569.db2.gz WOIRPLCOOQCUHS-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1cnc(-c2cncc(N)c2)c(C)c1 394832161 1169650790 /nfs/dbraw/zinc/65/07/90/1169650790.db2.gz VFEDEDYZJARLJA-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1cnc(-c2ccnc(N)c2)c(C)c1 394808213 1169651053 /nfs/dbraw/zinc/65/10/53/1169651053.db2.gz IPEMMCYSSUIYFU-UHFFFAOYSA-N 0 0 199.257 2.173 10 0 AEAERN C[C@@H]1C[C@@H]1COC(=O)/C=C\C1CC1 394373655 1169651088 /nfs/dbraw/zinc/65/10/88/1169651088.db2.gz JGBGHEJHOPJLBX-HNTQOALJSA-N 0 0 180.247 2.152 10 0 AEAERN C[C@@H]1C[C@H]1COC(=O)/C=C/C1CC1 394373658 1169651129 /nfs/dbraw/zinc/65/11/29/1169651129.db2.gz JGBGHEJHOPJLBX-OBKXUREESA-N 0 0 180.247 2.152 10 0 AEAERN C[C@@H]1C[C@H]1COC(=O)/C=C\C1CC1 394373660 1169651163 /nfs/dbraw/zinc/65/11/63/1169651163.db2.gz JGBGHEJHOPJLBX-WKMOSUKVSA-N 0 0 180.247 2.152 10 0 AEAERN C/C=C\C(=O)N1CCC[C@@H]1CCC 397015088 1169658170 /nfs/dbraw/zinc/65/81/70/1169658170.db2.gz AMNCSCLYRYFZGR-VAWSOJLPSA-N 0 0 181.279 2.354 10 0 AEAERN C/C=C/C(=O)N1CCC[C@@H]1CCC 397015085 1169658204 /nfs/dbraw/zinc/65/82/04/1169658204.db2.gz AMNCSCLYRYFZGR-QBBOHKLWSA-N 0 0 181.279 2.354 10 0 AEAERN CC[C@@H](COc1cccnc1F)OC 397034334 1169658629 /nfs/dbraw/zinc/65/86/29/1169658629.db2.gz PZQWBMJUZNVFQD-QMMMGPOBSA-N 0 0 199.225 2.025 10 0 AEAERN CC[C@@H](COc1ccccc1O)OC 396990256 1169659333 /nfs/dbraw/zinc/65/93/33/1169659333.db2.gz GDZAFNADZYALAP-VIFPVBQESA-N 0 0 196.246 2.196 10 0 AEAERN CC[C@@H](COc1ccc(O)cc1)OC 397013272 1169659521 /nfs/dbraw/zinc/65/95/21/1169659521.db2.gz OCHYIZHUENZMKG-JTQLQIEISA-N 0 0 196.246 2.196 10 0 AEAERN C/C=C\C(=O)N1CCC[C@H]1CCC 397015082 1169659648 /nfs/dbraw/zinc/65/96/48/1169659648.db2.gz AMNCSCLYRYFZGR-ISGFRBBESA-N 0 0 181.279 2.354 10 0 AEAERN C/C=C/C(=O)N1CCC[C@H]1CCC 397015084 1169660471 /nfs/dbraw/zinc/66/04/71/1169660471.db2.gz AMNCSCLYRYFZGR-LJJSCBMDSA-N 0 0 181.279 2.354 10 0 AEAERN CC[C@H](COc1cccnc1F)OC 397034332 1169660737 /nfs/dbraw/zinc/66/07/37/1169660737.db2.gz PZQWBMJUZNVFQD-MRVPVSSYSA-N 0 0 199.225 2.025 10 0 AEAERN CC[C@H](COc1ccc(O)cc1)OC 397013273 1169660959 /nfs/dbraw/zinc/66/09/59/1169660959.db2.gz OCHYIZHUENZMKG-SNVBAGLBSA-N 0 0 196.246 2.196 10 0 AEAERN CC[C@H](COc1ccccc1O)OC 396990255 1169660983 /nfs/dbraw/zinc/66/09/83/1169660983.db2.gz GDZAFNADZYALAP-SECBINFHSA-N 0 0 196.246 2.196 10 0 AEAERN CC[C@@H](COc1cccc(O)c1)OC 397003546 1169661586 /nfs/dbraw/zinc/66/15/86/1169661586.db2.gz JKCKIKBTPJOXAV-JTQLQIEISA-N 0 0 196.246 2.196 10 0 AEAERN CC[C@H](COc1cccc(O)c1)OC 397003549 1169661950 /nfs/dbraw/zinc/66/19/50/1169661950.db2.gz JKCKIKBTPJOXAV-SNVBAGLBSA-N 0 0 196.246 2.196 10 0 AEAERN C=CC(=O)N(C)C[C@@H](C)C(C)(C)C 399371439 1169669953 /nfs/dbraw/zinc/66/99/53/1169669953.db2.gz DWYDTYSWCQDQBD-SECBINFHSA-N 0 0 183.295 2.313 10 0 AEAERN C=CC(=O)N(C)C[C@H](C)C(C)(C)C 399371441 1169670751 /nfs/dbraw/zinc/67/07/51/1169670751.db2.gz DWYDTYSWCQDQBD-VIFPVBQESA-N 0 0 183.295 2.313 10 0 AEAERN CCCOC(=O)N1CCC2(CC2)C1 400128497 1169674797 /nfs/dbraw/zinc/67/47/97/1169674797.db2.gz QWSKXXVDQSCVJJ-UHFFFAOYSA-N 0 0 183.251 2.019 10 0 AEAERN CC(C)=CC(=O)Nc1cccnc1F 401414503 1169680373 /nfs/dbraw/zinc/68/03/73/1169680373.db2.gz JYVMNTHZXYEFFC-UHFFFAOYSA-N 0 0 194.209 2.125 10 0 AEAERN OCc1ccc(Cc2ccccn2)cc1 404790397 1169682764 /nfs/dbraw/zinc/68/27/64/1169682764.db2.gz QZEJRQKGOASRLH-UHFFFAOYSA-N 0 0 199.253 2.165 10 0 AEAERN OCc1ccc(Cc2ccncc2)cc1 404849852 1169682900 /nfs/dbraw/zinc/68/29/00/1169682900.db2.gz QBRAWPQCVLWQJF-UHFFFAOYSA-N 0 0 199.253 2.165 10 0 AEAERN OCc1cccc(Cc2cccnc2)c1 404772015 1169683000 /nfs/dbraw/zinc/68/30/00/1169683000.db2.gz BRINSQHWUYIULT-UHFFFAOYSA-N 0 0 199.253 2.165 10 0 AEAERN OCc1cccc(Cc2ccccn2)c1 404868546 1169683291 /nfs/dbraw/zinc/68/32/91/1169683291.db2.gz SORLZDDACAHSTD-UHFFFAOYSA-N 0 0 199.253 2.165 10 0 AEAERN OCc1cccc(Cc2ccncc2)c1 404872517 1169683322 /nfs/dbraw/zinc/68/33/22/1169683322.db2.gz VFMYFQNGQKETPN-UHFFFAOYSA-N 0 0 199.253 2.165 10 0 AEAERN C[C@H](Nc1ccncc1F)C(C)(C)C 606270903 1169694859 /nfs/dbraw/zinc/69/48/59/1169694859.db2.gz QTZQACYZANAPMQ-QMMMGPOBSA-N 0 0 196.269 2.489 10 0 AEAERN c1ccc(OCc2ccncc2)nc1 585655221 1169688960 /nfs/dbraw/zinc/68/89/60/1169688960.db2.gz XIXJQRFCLIZWFA-UHFFFAOYSA-N 0 0 186.214 2.056 10 0 AEAERN Cc1cc(C)nc(OC2CCC2)n1 585650952 1169689018 /nfs/dbraw/zinc/68/90/18/1169689018.db2.gz IUCSAZUYAIRMLL-UHFFFAOYSA-N 0 0 178.235 2.025 10 0 AEAERN Cc1cc(OC2CCC2)nc(C)n1 585650989 1169689232 /nfs/dbraw/zinc/68/92/32/1169689232.db2.gz LBCRAVQDWZQHHB-UHFFFAOYSA-N 0 0 178.235 2.025 10 0 AEAERN C[C@H](Oc1nccs1)C(F)(F)F 585651482 1169689286 /nfs/dbraw/zinc/68/92/86/1169689286.db2.gz OCABWLFBDBCGJS-BYPYZUCNSA-N 0 0 197.181 2.473 10 0 AEAERN Cc1nccc(OC2CCCC2)n1 585651224 1169689310 /nfs/dbraw/zinc/68/93/10/1169689310.db2.gz BCRRNRKXDHBPSQ-UHFFFAOYSA-N 0 0 178.235 2.106 10 0 AEAERN Clc1cnc(OC2CCCC2)nc1 585651110 1169689372 /nfs/dbraw/zinc/68/93/72/1169689372.db2.gz KPFQWXJUFMHHQX-UHFFFAOYSA-N 0 0 198.653 2.451 10 0 AEAERN Cc1csc(OC2CCC2)n1 585651116 1169689585 /nfs/dbraw/zinc/68/95/85/1169689585.db2.gz AEHAOTJZJIXEQX-UHFFFAOYSA-N 0 0 169.249 2.383 10 0 AEAERN C[C@@H](Oc1nccs1)C(F)(F)F 585651483 1169689697 /nfs/dbraw/zinc/68/96/97/1169689697.db2.gz OCABWLFBDBCGJS-SCSAIBSYSA-N 0 0 197.181 2.473 10 0 AEAERN Cc1cc(-c2cccc(O)c2)n(C)n1 606260756 1169691741 /nfs/dbraw/zinc/69/17/41/1169691741.db2.gz JEFLNNNWEQUXHI-UHFFFAOYSA-N 0 0 188.230 2.101 10 0 AEAERN CC(C)OC(=O)Nc1cnsc1 606260504 1169691811 /nfs/dbraw/zinc/69/18/11/1169691811.db2.gz HIGKDUMAECYBSR-UHFFFAOYSA-N 0 0 186.236 2.100 10 0 AEAERN C/C=C/C(=O)Nc1cc(C)cc(O)c1 606262960 1169691911 /nfs/dbraw/zinc/69/19/11/1169691911.db2.gz OHFLTJRLBITXCM-ONEGZZNKSA-N 0 0 191.230 2.215 10 0 AEAERN C/C=C\C(=O)Nc1cc(C)cc(O)c1 606262959 1169692045 /nfs/dbraw/zinc/69/20/45/1169692045.db2.gz OHFLTJRLBITXCM-ARJAWSKDSA-N 0 0 191.230 2.215 10 0 AEAERN Cc1cc(-c2ccc(O)cc2)n(C)n1 606260838 1169692360 /nfs/dbraw/zinc/69/23/60/1169692360.db2.gz ZESWPMGGQOFCOQ-UHFFFAOYSA-N 0 0 188.230 2.101 10 0 AEAERN Cc1ccc(O)c(-c2cncn2C)c1 606260794 1169692453 /nfs/dbraw/zinc/69/24/53/1169692453.db2.gz QAPKVLBPYGTYLE-UHFFFAOYSA-N 0 0 188.230 2.101 10 0 AEAERN Cc1cc(NC2CCCC2)nc(F)n1 606269402 1169693054 /nfs/dbraw/zinc/69/30/54/1169693054.db2.gz GVTYWMQREAOOCY-UHFFFAOYSA-N 0 0 195.241 2.279 10 0 AEAERN C[C@H](Nc1cc(F)ncn1)C1(C)CC1 606269817 1169693130 /nfs/dbraw/zinc/69/31/30/1169693130.db2.gz PQRKRTMFYXSQLD-ZETCQYMHSA-N 0 0 195.241 2.216 10 0 AEAERN C[C@@H](Nc1ncc(F)cn1)C1(C)CC1 606269787 1169693151 /nfs/dbraw/zinc/69/31/51/1169693151.db2.gz YSTPOYSEYOESCN-SSDOTTSWSA-N 0 0 195.241 2.216 10 0 AEAERN C[C@@H](Nc1cc(F)ncn1)C1(C)CC1 606269816 1169693552 /nfs/dbraw/zinc/69/35/52/1169693552.db2.gz PQRKRTMFYXSQLD-SSDOTTSWSA-N 0 0 195.241 2.216 10 0 AEAERN C[C@H](Nc1ncc(F)cn1)C1(C)CC1 606269795 1169693660 /nfs/dbraw/zinc/69/36/60/1169693660.db2.gz YSTPOYSEYOESCN-ZETCQYMHSA-N 0 0 195.241 2.216 10 0 AEAERN Clc1sccc1Cn1ccnn1 606272081 1169694211 /nfs/dbraw/zinc/69/42/11/1169694211.db2.gz DXZVAACSOPRGCA-UHFFFAOYSA-N 0 0 199.666 2.041 10 0 AEAERN COC(=O)Nc1cccc(OC)c1F 606272834 1169694537 /nfs/dbraw/zinc/69/45/37/1169694537.db2.gz ZICOQCNQYUBTBG-UHFFFAOYSA-N 0 0 199.181 2.013 10 0 AEAERN CCNC(=O)N1CCC12CCCCC2 606271550 1169695071 /nfs/dbraw/zinc/69/50/71/1169695071.db2.gz URWVYOUBLSXYTJ-UHFFFAOYSA-N 0 0 196.294 2.125 10 0 AEAERN COC(=O)Nc1ccc(C)c(OC)c1 606270042 1169695256 /nfs/dbraw/zinc/69/52/56/1169695256.db2.gz JSJMBZLEVLFETL-UHFFFAOYSA-N 0 0 195.218 2.182 10 0 AEAERN Cc1c(N)cncc1-c1ccncc1 642886004 1169696528 /nfs/dbraw/zinc/69/65/28/1169696528.db2.gz ZSSPAKBFQVLSFY-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN C[C@@H]1C[C@H](NC#N)CC(C)(C)C1 642873993 1169696796 /nfs/dbraw/zinc/69/67/96/1169696796.db2.gz ZUJAXEGCVAOZGR-BDAKNGLRSA-N 0 0 166.268 2.272 10 0 AEAERN C[C@H]1C[C@H](NC#N)CC(C)(C)C1 642873998 1169697042 /nfs/dbraw/zinc/69/70/42/1169697042.db2.gz ZUJAXEGCVAOZGR-IUCAKERBSA-N 0 0 166.268 2.272 10 0 AEAERN CC(C)(C)COC1CCC(O)CC1 642874524 1169697046 /nfs/dbraw/zinc/69/70/46/1169697046.db2.gz YTAMEYDYIUFCAB-UHFFFAOYSA-N 0 0 186.295 2.353 10 0 AEAERN C[C@@H]1C[C@@H](NC#N)CC(C)(C)C1 642874000 1169697110 /nfs/dbraw/zinc/69/71/10/1169697110.db2.gz ZUJAXEGCVAOZGR-RKDXNWHRSA-N 0 0 166.268 2.272 10 0 AEAERN C[C@H]1C[C@@H](NC#N)CC(C)(C)C1 642873996 1169697597 /nfs/dbraw/zinc/69/75/97/1169697597.db2.gz ZUJAXEGCVAOZGR-DTWKUNHWSA-N 0 0 166.268 2.272 10 0 AEAERN Cc1nc(N(C)C)ccc1Cl 669370168 1169698580 /nfs/dbraw/zinc/69/85/80/1169698580.db2.gz VTMKBCNNOAKDBC-UHFFFAOYSA-N 0 0 170.643 2.109 10 0 AEAERN CCCCNc1nccnc1CC 700156811 1169700206 /nfs/dbraw/zinc/70/02/06/1169700206.db2.gz QMKUPUMPWWVZQX-UHFFFAOYSA-N 0 0 179.267 2.251 10 0 AEAERN CCc1nccnc1NC1(C)CCC1 700169148 1169700348 /nfs/dbraw/zinc/70/03/48/1169700348.db2.gz PUOGXRHCXBGJKO-UHFFFAOYSA-N 0 0 191.278 2.394 10 0 AEAERN CCc1nccnc1N[C@H](C)CC 700156772 1169700428 /nfs/dbraw/zinc/70/04/28/1169700428.db2.gz PSDHWQOSNMLIPS-MRVPVSSYSA-N 0 0 179.267 2.249 10 0 AEAERN CCc1nccnc1N[C@@H](C)CC 700156773 1169700835 /nfs/dbraw/zinc/70/08/35/1169700835.db2.gz PSDHWQOSNMLIPS-QMMMGPOBSA-N 0 0 179.267 2.249 10 0 AEAERN CC[C@H](C)NC(=O)c1cccn1CC 700621120 1169701023 /nfs/dbraw/zinc/70/10/23/1169701023.db2.gz XQJALSNICDSDPV-VIFPVBQESA-N 0 0 194.278 2.036 10 0 AEAERN CC[C@@H](C)NC(=O)c1cccn1CC 700621117 1169701081 /nfs/dbraw/zinc/70/10/81/1169701081.db2.gz XQJALSNICDSDPV-SECBINFHSA-N 0 0 194.278 2.036 10 0 AEAERN CCC(CC)N(C)C(=O)NCC1CC1 701081962 1169701855 /nfs/dbraw/zinc/70/18/55/1169701855.db2.gz GARXMBGYMGBNQY-UHFFFAOYSA-N 0 0 198.310 2.226 10 0 AEAERN C1=C(C2CC2)CCC2(C1)OCCO2 700751663 1169702014 /nfs/dbraw/zinc/70/20/14/1169702014.db2.gz INZOUTPOWNCQCR-UHFFFAOYSA-N 0 0 180.247 2.250 10 0 AEAERN C[C@H](NC(=O)NCC1CC1)C(C)(C)C 700970910 1169702211 /nfs/dbraw/zinc/70/22/11/1169702211.db2.gz IHSLOUFAUPKHKT-QMMMGPOBSA-N 0 0 198.310 2.130 10 0 AEAERN CCCCCN(C)C(=O)NCC1CC1 701065237 1169702271 /nfs/dbraw/zinc/70/22/71/1169702271.db2.gz INZGKTVFZZCCLY-UHFFFAOYSA-N 0 0 198.310 2.228 10 0 AEAERN C[C@H]1CCCC[C@@H]1Oc1cnn(C)c1 705006129 1169707637 /nfs/dbraw/zinc/70/76/37/1169707637.db2.gz JFAADTDZISRCGW-ONGXEEELSA-N 0 0 194.278 2.378 10 0 AEAERN C[C@H]1CCCC[C@H]1Oc1cnn(C)c1 705006122 1169707954 /nfs/dbraw/zinc/70/79/54/1169707954.db2.gz JFAADTDZISRCGW-GXSJLCMTSA-N 0 0 194.278 2.378 10 0 AEAERN C[C@@H]1CCCC[C@@H]1Oc1cnn(C)c1 705006126 1169708259 /nfs/dbraw/zinc/70/82/59/1169708259.db2.gz JFAADTDZISRCGW-KOLCDFICSA-N 0 0 194.278 2.378 10 0 AEAERN C[C@@H]1CCCC[C@H]1Oc1cnn(C)c1 705006127 1169708944 /nfs/dbraw/zinc/70/89/44/1169708944.db2.gz JFAADTDZISRCGW-MWLCHTKSSA-N 0 0 194.278 2.378 10 0 AEAERN CCc1nccnc1-c1ccc(N)cc1 707902413 1169719441 /nfs/dbraw/zinc/71/94/41/1169719441.db2.gz YIOCOLPTTYIDIL-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN C/C=C/C(=O)N1C[C@@H]2CCCC[C@@]21C 706345597 1169713302 /nfs/dbraw/zinc/71/33/02/1169713302.db2.gz ZXNJFSDDXYKIFN-NKYBOJQOSA-N 0 0 193.290 2.354 10 0 AEAERN CCCOC(=O)N1CCC2(CC1)CC2 706336805 1169714207 /nfs/dbraw/zinc/71/42/07/1169714207.db2.gz NRCCYLSPIFNJCD-UHFFFAOYSA-N 0 0 197.278 2.409 10 0 AEAERN CC(C)OC(=O)N1CCC2(CC1)CC2 706319445 1169714965 /nfs/dbraw/zinc/71/49/65/1169714965.db2.gz WOTXOGMCZIGZLW-UHFFFAOYSA-N 0 0 197.278 2.407 10 0 AEAERN C[C@H]1CCN1C(=O)Oc1ccccc1 706861549 1169715628 /nfs/dbraw/zinc/71/56/28/1169715628.db2.gz IVSIPHPPGHTANO-VIFPVBQESA-N 0 0 191.230 2.280 10 0 AEAERN C[C@@H]1CCN1C(=O)Oc1ccccc1 706861547 1169715987 /nfs/dbraw/zinc/71/59/87/1169715987.db2.gz IVSIPHPPGHTANO-SECBINFHSA-N 0 0 191.230 2.280 10 0 AEAERN C[C@H](Nc1ccncc1F)C1(C)CC1 706935631 1169716035 /nfs/dbraw/zinc/71/60/35/1169716035.db2.gz LNMVPBPLTGEKHW-QMMMGPOBSA-N 0 0 194.253 2.243 10 0 AEAERN C[C@@H](Nc1ccncc1F)C1(C)CC1 706935630 1169716174 /nfs/dbraw/zinc/71/61/74/1169716174.db2.gz LNMVPBPLTGEKHW-MRVPVSSYSA-N 0 0 194.253 2.243 10 0 AEAERN Cc1cnc(C)c(-c2ccc(N)cc2)n1 707923778 1169716847 /nfs/dbraw/zinc/71/68/47/1169716847.db2.gz GZLOITTWRFMWPN-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1ncc(-c2ccc(N)cc2)nc1C 707957644 1169716976 /nfs/dbraw/zinc/71/69/76/1169716976.db2.gz OSFVFMRLFZYMOY-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1nccnc1-c1ccc(N)cc1 707895375 1169717060 /nfs/dbraw/zinc/71/70/60/1169717060.db2.gz LYJKGZDHHPBXQK-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CC[C@H](C)OCCCCC(=O)OC 707504527 1169717107 /nfs/dbraw/zinc/71/71/07/1169717107.db2.gz DKKMKJVKYOSYDK-VIFPVBQESA-N 0 0 188.267 2.145 10 0 AEAERN CCSC[C@H](C)NCC(C)(F)F 707658806 1169717189 /nfs/dbraw/zinc/71/71/89/1169717189.db2.gz VVPWAXGJBJTGKJ-ZETCQYMHSA-N 0 0 197.294 2.373 10 0 AEAERN Cc1cnc(-c2ccc(N)cc2)nc1C 707898707 1169717265 /nfs/dbraw/zinc/71/72/65/1169717265.db2.gz BVPLLDNLWRZMLJ-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CCCNC(=O)N1CCC12CCCC2 707506059 1169717563 /nfs/dbraw/zinc/71/75/63/1169717563.db2.gz NJDOFZNWOOKOPC-UHFFFAOYSA-N 0 0 196.294 2.125 10 0 AEAERN CC[C@@H](C)OCCCCC(=O)OC 707504524 1169717825 /nfs/dbraw/zinc/71/78/25/1169717825.db2.gz DKKMKJVKYOSYDK-SECBINFHSA-N 0 0 188.267 2.145 10 0 AEAERN CCc1cc(-c2ccc(N)cc2)ncn1 707886749 1169718074 /nfs/dbraw/zinc/71/80/74/1169718074.db2.gz LJBGKZPROMHAKA-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN CCSC[C@@H](C)NCC(C)(F)F 707658803 1169718657 /nfs/dbraw/zinc/71/86/57/1169718657.db2.gz VVPWAXGJBJTGKJ-SSDOTTSWSA-N 0 0 197.294 2.373 10 0 AEAERN Nc1cccc(-c2ccc(F)cn2)c1 707906568 1169719215 /nfs/dbraw/zinc/71/92/15/1169719215.db2.gz PPJAVBHMUFWZLV-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1ccc(-c2ccc(F)cn2)cc1 707904029 1169719289 /nfs/dbraw/zinc/71/92/89/1169719289.db2.gz DHDQPKMSAJRZOI-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Cc1cnnc(-c2ccc(N)cc2)c1 707952256 1169719549 /nfs/dbraw/zinc/71/95/49/1169719549.db2.gz AMBDUIYGHSYXRA-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1cc(NCCC(C)C)nc(F)n1 709254710 1169723743 /nfs/dbraw/zinc/72/37/43/1169723743.db2.gz XXBRFJICSCGPJK-UHFFFAOYSA-N 0 0 197.257 2.382 10 0 AEAERN CCCCNC(=O)Nc1cnsc1 709850819 1169726438 /nfs/dbraw/zinc/72/64/38/1169726438.db2.gz HTTZJAAVWCJORY-UHFFFAOYSA-N 0 0 199.279 2.065 10 0 AEAERN CCNC(=O)C12CCC(CC1)CC2 710228985 1169726681 /nfs/dbraw/zinc/72/66/81/1169726681.db2.gz AVHZDZMTFNBITA-UHFFFAOYSA-N 0 0 181.279 2.093 10 0 AEAERN C=CC(=O)N[C@@H](C)C(C)(C)CC 710055873 1169726954 /nfs/dbraw/zinc/72/69/54/1169726954.db2.gz OGKHWKQVHZTXKN-QMMMGPOBSA-N 0 0 169.268 2.113 10 0 AEAERN CC[C@@H](OCCC(C)C)C(=O)OC 710109095 1169727244 /nfs/dbraw/zinc/72/72/44/1169727244.db2.gz OJRQXARWFFIAFF-SECBINFHSA-N 0 0 188.267 2.001 10 0 AEAERN Cc1noc(N[C@@H](C)CC2CCC2)n1 710298767 1169727588 /nfs/dbraw/zinc/72/75/88/1169727588.db2.gz XQVLVWMCQFNXPK-ZETCQYMHSA-N 0 0 195.266 2.369 10 0 AEAERN COc1cc2[nH]c(C)nc2cc1F 709737903 1169727703 /nfs/dbraw/zinc/72/77/03/1169727703.db2.gz LLUWUWBUTYSDBI-UHFFFAOYSA-N 0 0 180.182 2.019 10 0 AEAERN Cc1noc(N[C@H](C)CC2CCC2)n1 710298765 1169727749 /nfs/dbraw/zinc/72/77/49/1169727749.db2.gz XQVLVWMCQFNXPK-SSDOTTSWSA-N 0 0 195.266 2.369 10 0 AEAERN CCc1cccc(C(=O)N(C)C)c1F 709907999 1169727852 /nfs/dbraw/zinc/72/78/52/1169727852.db2.gz AXAAJNOPRDVGPS-UHFFFAOYSA-N 0 0 195.237 2.090 10 0 AEAERN C=CC(=O)N[C@H](C)C(C)(C)CC 710055872 1169727872 /nfs/dbraw/zinc/72/78/72/1169727872.db2.gz OGKHWKQVHZTXKN-MRVPVSSYSA-N 0 0 169.268 2.113 10 0 AEAERN Cc1cccc2[nH]c(-c3c[nH]cn3)nc12 709748281 1169728302 /nfs/dbraw/zinc/72/83/02/1169728302.db2.gz PKIBXEAXXCNSPC-UHFFFAOYSA-N 0 0 198.229 2.261 10 0 AEAERN Cc1ccc2[nH]c(-c3c[nH]cn3)nc2c1 709748601 1169728602 /nfs/dbraw/zinc/72/86/02/1169728602.db2.gz SFOAUODHQLRGES-UHFFFAOYSA-N 0 0 198.229 2.261 10 0 AEAERN Nc1ccc(CC2CC2)c(F)c1 709887438 1169728629 /nfs/dbraw/zinc/72/86/29/1169728629.db2.gz LKROIHCBOBHPQK-UHFFFAOYSA-N 0 0 165.211 2.360 10 0 AEAERN Cn1ccc(-c2cccc3c2NCC3)n1 712250828 1169729573 /nfs/dbraw/zinc/72/95/73/1169729573.db2.gz CCYOKUGQSKTDFA-UHFFFAOYSA-N 0 0 199.257 2.055 10 0 AEAERN C/C=C\C(=O)N[C@]12CCCC[C@H]1C2 710584804 1169729532 /nfs/dbraw/zinc/72/95/32/1169729532.db2.gz NMHHHSVLWXOKOC-SGHNXWSWSA-N 0 0 179.263 2.011 10 0 AEAERN COc1cc(CC(C)C)ccc1N 712369590 1169729594 /nfs/dbraw/zinc/72/95/94/1169729594.db2.gz KRJSKDRAWBMJTA-UHFFFAOYSA-N 0 0 179.263 2.476 10 0 AEAERN C=C/C=C\CCn1ccnc1 713716596 1169732674 /nfs/dbraw/zinc/73/26/74/1169732674.db2.gz HVDDGTVEQFRVPK-ARJAWSKDSA-N 0 0 148.209 2.015 10 0 AEAERN C=C/C=C\CCNC(=O)c1ccco1 713471477 1169733040 /nfs/dbraw/zinc/73/30/40/1169733040.db2.gz OSOCYJHHHDQOTN-ARJAWSKDSA-N 0 0 191.230 2.142 10 0 AEAERN O=C(COC1CC1)c1cccs1 713171705 1169733412 /nfs/dbraw/zinc/73/34/12/1169733412.db2.gz PKWSAIKJIGUISX-UHFFFAOYSA-N 0 0 182.244 2.110 10 0 AEAERN Cn1cncc1-c1ccsc1 713175609 1169733650 /nfs/dbraw/zinc/73/36/50/1169733650.db2.gz WWXMNVXEQLHWMY-UHFFFAOYSA-N 0 0 164.233 2.149 10 0 AEAERN C=C/C=C/CCn1ccnc1 713716597 1169734333 /nfs/dbraw/zinc/73/43/33/1169734333.db2.gz HVDDGTVEQFRVPK-ONEGZZNKSA-N 0 0 148.209 2.015 10 0 AEAERN Fc1cc(F)c(OC2CC2)nc1F 713279470 1169734556 /nfs/dbraw/zinc/73/45/56/1169734556.db2.gz DEVGDYAIJDUYGY-UHFFFAOYSA-N 0 0 189.136 2.040 10 0 AEAERN C=C/C=C/CCNC(=O)c1ccco1 713471478 1169735057 /nfs/dbraw/zinc/73/50/57/1169735057.db2.gz OSOCYJHHHDQOTN-ONEGZZNKSA-N 0 0 191.230 2.142 10 0 AEAERN c1csc(COC2CCC2)n1 714914330 1169735766 /nfs/dbraw/zinc/73/57/66/1169735766.db2.gz FABCCVYHLYZODF-UHFFFAOYSA-N 0 0 169.249 2.212 10 0 AEAERN CCCOCCNc1cccc(F)n1 715060078 1169735789 /nfs/dbraw/zinc/73/57/89/1169735789.db2.gz SXMMHWGNBYREJJ-UHFFFAOYSA-N 0 0 198.241 2.059 10 0 AEAERN Cc1cc(N)ncc1-c1cccnc1C 715172850 1169735833 /nfs/dbraw/zinc/73/58/33/1169735833.db2.gz PLUFLKJWRLYFKC-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1cnc(-c2cccnc2C)c(N)c1 715171249 1169735956 /nfs/dbraw/zinc/73/59/56/1169735956.db2.gz FQIABOMCIVYSGI-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1ncccc1-c1cccc(=O)[nH]1 715212645 1169736258 /nfs/dbraw/zinc/73/62/58/1169736258.db2.gz PLPIUYLYXHZFTN-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1ncccc1-c1ccc(N)nc1C 715172923 1169736306 /nfs/dbraw/zinc/73/63/06/1169736306.db2.gz RHXOGCGGDXYWRI-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CCCOCCNc1ccc(F)cn1 715035410 1169736473 /nfs/dbraw/zinc/73/64/73/1169736473.db2.gz VSYJTLIUWHTWIQ-UHFFFAOYSA-N 0 0 198.241 2.059 10 0 AEAERN CCCOCCNc1ncccc1C 715026730 1169736547 /nfs/dbraw/zinc/73/65/47/1169736547.db2.gz HBBUVVXDPYTUGY-UHFFFAOYSA-N 0 0 194.278 2.229 10 0 AEAERN CCCOCCNc1cccc(N)c1 714958257 1169736680 /nfs/dbraw/zinc/73/66/80/1169736680.db2.gz XFRHJOJKIWMSBB-UHFFFAOYSA-N 0 0 194.278 2.107 10 0 AEAERN Cc1ncccc1-c1cncc(N)c1 715172038 1169736970 /nfs/dbraw/zinc/73/69/70/1169736970.db2.gz LTNVCTWXXCGZAS-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CCCOCCNc1ncccc1F 715034972 1169737774 /nfs/dbraw/zinc/73/77/74/1169737774.db2.gz SPMWCOGTPFGLGG-UHFFFAOYSA-N 0 0 198.241 2.059 10 0 AEAERN Cc1cc(-c2cccnc2C)cnc1N 715172010 1169737915 /nfs/dbraw/zinc/73/79/15/1169737915.db2.gz LHTPSZORCJOVRJ-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1ncccc1-c1ncccc1N 715171151 1169738332 /nfs/dbraw/zinc/73/83/32/1169738332.db2.gz DGOFQYFZYBDEHI-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1ncccc1-c1ccc(N)cn1 715173809 1169738662 /nfs/dbraw/zinc/73/86/62/1169738662.db2.gz XQAJLKIQMHZWSI-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CCCOCCNc1ccc(C)cn1 715026946 1169738849 /nfs/dbraw/zinc/73/88/49/1169738849.db2.gz LFZLHKAJVSBBBH-UHFFFAOYSA-N 0 0 194.278 2.229 10 0 AEAERN Cc1cnc(-c2ccc(N)cc2C)nc1 715649122 1169739495 /nfs/dbraw/zinc/73/94/95/1169739495.db2.gz NEYCCJPCMRKGTM-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1cc(O)ccc1-c1ncccn1 715771189 1169739615 /nfs/dbraw/zinc/73/96/15/1169739615.db2.gz SCJWEOHRDWXCMZ-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1ccc(-c2ncccn2)c(O)c1 715773168 1169739855 /nfs/dbraw/zinc/73/98/55/1169739855.db2.gz XHQKUVCNJJYZFH-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1ccc(-c2ncccn2)c(N)c1 715727236 1169739873 /nfs/dbraw/zinc/73/98/73/1169739873.db2.gz XPYNEOIWHISEKN-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1cc(C)nc(-c2cnccc2C)n1 715433163 1169739958 /nfs/dbraw/zinc/73/99/58/1169739958.db2.gz CMISSOCBLZKMGG-UHFFFAOYSA-N 0 0 199.257 2.464 10 0 AEAERN Cc1cnc(-c2ccc(C)cc2N)nc1 715648722 1169740046 /nfs/dbraw/zinc/74/00/46/1169740046.db2.gz LTFMCRKLILSAII-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1cnc(-c2ccc(C)c(N)c2)nc1 715648754 1169740061 /nfs/dbraw/zinc/74/00/61/1169740061.db2.gz MBZUVHVHBMVBCS-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1ncccc1-c1cncc(O)c1 715240154 1169740146 /nfs/dbraw/zinc/74/01/46/1169740146.db2.gz NXIHKZRJCFUZHD-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1ccc(O)cc1-c1ncccn1 715773262 1169740166 /nfs/dbraw/zinc/74/01/66/1169740166.db2.gz XXAOKILEFXJQIB-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1cc(-c2nc(C)cc(C)n2)ccn1 715433739 1169740288 /nfs/dbraw/zinc/74/02/88/1169740288.db2.gz DLZILBSHISXLPT-UHFFFAOYSA-N 0 0 199.257 2.464 10 0 AEAERN Cc1cc(C)nc(-c2cccnc2C)n1 715421425 1169740384 /nfs/dbraw/zinc/74/03/84/1169740384.db2.gz PNNSAKTUBXHAQS-UHFFFAOYSA-N 0 0 199.257 2.464 10 0 AEAERN Cc1cc(-c2ncccn2)ccc1O 715773605 1169740410 /nfs/dbraw/zinc/74/04/10/1169740410.db2.gz ZNGKJUNVYGIVEV-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1cc(C)nc(-c2cscn2)n1 715439899 1169740448 /nfs/dbraw/zinc/74/04/48/1169740448.db2.gz URMUTQSHVYWJTM-UHFFFAOYSA-N 0 0 191.259 2.217 10 0 AEAERN Cc1cncc(-c2nc(C)cc(C)n2)c1 715433654 1169740473 /nfs/dbraw/zinc/74/04/73/1169740473.db2.gz CZVDTKDBKUTBKX-UHFFFAOYSA-N 0 0 199.257 2.464 10 0 AEAERN Cc1cc(C)nc(-c2ccoc2)n1 715413330 1169740615 /nfs/dbraw/zinc/74/06/15/1169740615.db2.gz DLLXRXKCEORLBU-UHFFFAOYSA-N 0 0 174.203 2.353 10 0 AEAERN CCc1cc(-c2ncccn2)ccc1N 715722222 1169740875 /nfs/dbraw/zinc/74/08/75/1169740875.db2.gz ATPNSLOSFXLLKV-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN Cc1ccc(-c2nccc(C)n2)c(N)c1 715740068 1169740958 /nfs/dbraw/zinc/74/09/58/1169740958.db2.gz ZGCCXMNEFWYADR-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1cc(C)nc(-c2cncs2)n1 715440953 1169741000 /nfs/dbraw/zinc/74/10/00/1169741000.db2.gz GFLZVMAGDRNNDC-UHFFFAOYSA-N 0 0 191.259 2.217 10 0 AEAERN c1cnc(-c2ccc3c(c2)NCC3)nc1 715727576 1169741038 /nfs/dbraw/zinc/74/10/38/1169741038.db2.gz ZRTZSYIPTVMZOS-UHFFFAOYSA-N 0 0 197.241 2.112 10 0 AEAERN Cc1cc(C)nc(-c2ccncc2C)n1 715445988 1169741076 /nfs/dbraw/zinc/74/10/76/1169741076.db2.gz HITLERNLNDZXDR-UHFFFAOYSA-N 0 0 199.257 2.464 10 0 AEAERN Cc1ccnc(-c2ccc(N)cc2C)n1 715739157 1169741155 /nfs/dbraw/zinc/74/11/55/1169741155.db2.gz RNAAAVUBMYCFFQ-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1ccc(-c2nc(C)cc(C)n2)cn1 715433673 1169741213 /nfs/dbraw/zinc/74/12/13/1169741213.db2.gz DDCPRAGJIMAEOJ-UHFFFAOYSA-N 0 0 199.257 2.464 10 0 AEAERN CCCNc1nccc2cccnc12 716908718 1169743254 /nfs/dbraw/zinc/74/32/54/1169743254.db2.gz QQMAPDIBICSLFM-UHFFFAOYSA-N 0 0 187.246 2.452 10 0 AEAERN c1ccc2[nH]c(COC3CC3)nc2c1 716861023 1169744361 /nfs/dbraw/zinc/74/43/61/1169744361.db2.gz RXKXPQUIALWTMW-UHFFFAOYSA-N 0 0 188.230 2.242 10 0 AEAERN c1ccn(CCCOC2CCC2)c1 717348900 1169745885 /nfs/dbraw/zinc/74/58/85/1169745885.db2.gz ZWCLDHHGPMYZKR-UHFFFAOYSA-N 0 0 179.263 2.447 10 0 AEAERN c1ccn(CCCOC2CC2)c1 717354318 1169745929 /nfs/dbraw/zinc/74/59/29/1169745929.db2.gz RSPCJIYTDMDPMN-UHFFFAOYSA-N 0 0 165.236 2.057 10 0 AEAERN Cc1cccc(C)c1-c1cnc(N)cn1 717717303 1169748024 /nfs/dbraw/zinc/74/80/24/1169748024.db2.gz UBGUSGWQNXETSJ-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1cccc(C)c1-c1cc(N)ncn1 717717165 1169748626 /nfs/dbraw/zinc/74/86/26/1169748626.db2.gz RHIMQXGYVJKXRZ-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1cccc(C)c1-c1ccc(N)nn1 717715765 1169748744 /nfs/dbraw/zinc/74/87/44/1169748744.db2.gz GPABDTOQIHGRFW-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN C[C@@H](OCC(=O)C(C)(C)C)C1CC1 718972503 1169751327 /nfs/dbraw/zinc/75/13/27/1169751327.db2.gz DLGVEIUCAYZDTE-MRVPVSSYSA-N 0 0 184.279 2.417 10 0 AEAERN C[C@H](OCC(=O)C(C)(C)C)C1CC1 718972505 1169752056 /nfs/dbraw/zinc/75/20/56/1169752056.db2.gz DLGVEIUCAYZDTE-QMMMGPOBSA-N 0 0 184.279 2.417 10 0 AEAERN CCCNc1ccnc2ncccc12 718938100 1169752317 /nfs/dbraw/zinc/75/23/17/1169752317.db2.gz QPQUTAHUQUXDQQ-UHFFFAOYSA-N 0 0 187.246 2.452 10 0 AEAERN C[C@H](Oc1cccc(N)n1)C1CCC1 719789056 1169753024 /nfs/dbraw/zinc/75/30/24/1169753024.db2.gz STMJOGITXYWDQM-QMMMGPOBSA-N 0 0 192.262 2.231 10 0 AEAERN C[C@H](Oc1cccc(F)n1)C1CC1 719023011 1169753042 /nfs/dbraw/zinc/75/30/42/1169753042.db2.gz LHENXVYNCPKQKL-ZETCQYMHSA-N 0 0 181.210 2.398 10 0 AEAERN CC(=O)[C@@H](C)O[C@H](C)C1CCC1 719676477 1169753198 /nfs/dbraw/zinc/75/31/98/1169753198.db2.gz PMMRKNCEEQTNSV-RKDXNWHRSA-N 0 0 170.252 2.169 10 0 AEAERN C[C@@H](Oc1ncccc1N)C1CCC1 719756185 1169753413 /nfs/dbraw/zinc/75/34/13/1169753413.db2.gz NLIRPCLDJOENDY-MRVPVSSYSA-N 0 0 192.262 2.231 10 0 AEAERN C[C@@H](Oc1cccc(F)n1)C1CC1 719023007 1169753541 /nfs/dbraw/zinc/75/35/41/1169753541.db2.gz LHENXVYNCPKQKL-SSDOTTSWSA-N 0 0 181.210 2.398 10 0 AEAERN C[C@H](Oc1ccc(Cl)nn1)C1CC1 719022881 1169753565 /nfs/dbraw/zinc/75/35/65/1169753565.db2.gz KTEAZIJVPZNQGO-LURJTMIESA-N 0 0 198.653 2.307 10 0 AEAERN C[C@@H](Oc1ccc(Cl)nn1)C1CC1 719022884 1169753766 /nfs/dbraw/zinc/75/37/66/1169753766.db2.gz KTEAZIJVPZNQGO-ZCFIWIBFSA-N 0 0 198.653 2.307 10 0 AEAERN C[C@@H](Oc1cccc(N)n1)C1CCC1 719789055 1169753845 /nfs/dbraw/zinc/75/38/45/1169753845.db2.gz STMJOGITXYWDQM-MRVPVSSYSA-N 0 0 192.262 2.231 10 0 AEAERN C[C@H](Oc1ccnc(Cl)n1)C1CC1 719023836 1169753862 /nfs/dbraw/zinc/75/38/62/1169753862.db2.gz NTSKRHGMLACCFE-LURJTMIESA-N 0 0 198.653 2.307 10 0 AEAERN CCC(=O)CO[C@@H](C)C1CCC1 719674555 1169754098 /nfs/dbraw/zinc/75/40/98/1169754098.db2.gz AEHFURZOPFOBHA-QMMMGPOBSA-N 0 0 170.252 2.171 10 0 AEAERN CC(=O)[C@@H](C)O[C@@H](C)C1CCC1 719676474 1169754349 /nfs/dbraw/zinc/75/43/49/1169754349.db2.gz PMMRKNCEEQTNSV-BDAKNGLRSA-N 0 0 170.252 2.169 10 0 AEAERN C[C@@H](Oc1ccnc(F)c1)C1CC1 719023712 1169754428 /nfs/dbraw/zinc/75/44/28/1169754428.db2.gz MUEFPJCPUAWROB-SSDOTTSWSA-N 0 0 181.210 2.398 10 0 AEAERN C[C@@H](Oc1ccc(N)nc1)C1CCC1 719659431 1169754470 /nfs/dbraw/zinc/75/44/70/1169754470.db2.gz ZLZRHLXHGODLRO-MRVPVSSYSA-N 0 0 192.262 2.231 10 0 AEAERN CC(=O)[C@H](C)O[C@@H](C)C1CCC1 719676476 1169754509 /nfs/dbraw/zinc/75/45/09/1169754509.db2.gz PMMRKNCEEQTNSV-IUCAKERBSA-N 0 0 170.252 2.169 10 0 AEAERN C[C@H](Oc1ncccc1N)C1CCC1 719756189 1169754724 /nfs/dbraw/zinc/75/47/24/1169754724.db2.gz NLIRPCLDJOENDY-QMMMGPOBSA-N 0 0 192.262 2.231 10 0 AEAERN CCC(=O)CO[C@H](C)C1CCC1 719674470 1169754776 /nfs/dbraw/zinc/75/47/76/1169754776.db2.gz AEHFURZOPFOBHA-MRVPVSSYSA-N 0 0 170.252 2.171 10 0 AEAERN CC(=O)[C@H](C)O[C@H](C)C1CCC1 719676475 1169755293 /nfs/dbraw/zinc/75/52/93/1169755293.db2.gz PMMRKNCEEQTNSV-DTWKUNHWSA-N 0 0 170.252 2.169 10 0 AEAERN C[C@@H](Oc1ccnc(Cl)n1)C1CC1 719023839 1169755443 /nfs/dbraw/zinc/75/54/43/1169755443.db2.gz NTSKRHGMLACCFE-ZCFIWIBFSA-N 0 0 198.653 2.307 10 0 AEAERN C[C@H](Oc1ccnc(F)c1)C1CC1 719023714 1169755791 /nfs/dbraw/zinc/75/57/91/1169755791.db2.gz MUEFPJCPUAWROB-ZETCQYMHSA-N 0 0 181.210 2.398 10 0 AEAERN C[C@H](Oc1ccc(N)nc1)C1CCC1 719659432 1169755960 /nfs/dbraw/zinc/75/59/60/1169755960.db2.gz ZLZRHLXHGODLRO-QMMMGPOBSA-N 0 0 192.262 2.231 10 0 AEAERN Fc1cc(-c2nccs2)cnc1F 721036848 1169757327 /nfs/dbraw/zinc/75/73/27/1169757327.db2.gz ABASISXNLJMXMJ-UHFFFAOYSA-N 0 0 198.197 2.483 10 0 AEAERN Cc1cc(-c2nccs2)cnc1N 721079977 1169758062 /nfs/dbraw/zinc/75/80/62/1169758062.db2.gz DDQOQBOZUWRTHP-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1cc(N)ncc1-c1nccs1 721079302 1169758595 /nfs/dbraw/zinc/75/85/95/1169758595.db2.gz AENLCBHLKOQWMQ-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN C[C@@H](O)COC1CCCCCCC1 721047796 1169758689 /nfs/dbraw/zinc/75/86/89/1169758689.db2.gz KPUDJBVCNLUJRI-SNVBAGLBSA-N 0 0 186.295 2.497 10 0 AEAERN CCc1ccc(NC(C)=O)c(F)c1 720417948 1169759303 /nfs/dbraw/zinc/75/93/03/1169759303.db2.gz KBZXUPKHQTZZEK-UHFFFAOYSA-N 0 0 181.210 2.347 10 0 AEAERN Cc1cnc(-c2nccs2)c(N)c1 721082974 1169759384 /nfs/dbraw/zinc/75/93/84/1169759384.db2.gz OTHSTYHUTODTQQ-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1nc(N)ccc1-c1nccs1 721085282 1169759693 /nfs/dbraw/zinc/75/96/93/1169759693.db2.gz ZBIRRQAHCWNDLF-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN C[C@H](O)COC1CCCCCCC1 721047794 1169759815 /nfs/dbraw/zinc/75/98/15/1169759815.db2.gz KPUDJBVCNLUJRI-JTQLQIEISA-N 0 0 186.295 2.497 10 0 AEAERN CCC(=O)CO[C@H]1CC[C@H](C)C1 721573410 1169760070 /nfs/dbraw/zinc/76/00/70/1169760070.db2.gz DSULWHOXIKBSME-WPRPVWTQSA-N 0 0 170.252 2.171 10 0 AEAERN CC(=O)[C@H](C)O[C@H]1CC[C@@H](C)C1 721572031 1169760258 /nfs/dbraw/zinc/76/02/58/1169760258.db2.gz ABFRRAMZEGUJFB-JEZHCXPESA-N 0 0 170.252 2.169 10 0 AEAERN C[C@H]1CC[C@@H](Oc2ccc(N)nc2)C1 721534299 1169760576 /nfs/dbraw/zinc/76/05/76/1169760576.db2.gz XKGQYGKZRTUJQG-DTWKUNHWSA-N 0 0 192.262 2.231 10 0 AEAERN C[C@@H]1CC[C@@H](Oc2cccc(N)n2)C1 721538047 1169760816 /nfs/dbraw/zinc/76/08/16/1169760816.db2.gz UBKJORGKGUIEMJ-RKDXNWHRSA-N 0 0 192.262 2.231 10 0 AEAERN CCC(=O)CO[C@@H]1CC[C@@H](C)C1 721573403 1169760865 /nfs/dbraw/zinc/76/08/65/1169760865.db2.gz DSULWHOXIKBSME-PSASIEDQSA-N 0 0 170.252 2.171 10 0 AEAERN CC(=O)[C@H](C)O[C@H]1CC[C@H](C)C1 721572030 1169760933 /nfs/dbraw/zinc/76/09/33/1169760933.db2.gz ABFRRAMZEGUJFB-HGNGGELXSA-N 0 0 170.252 2.169 10 0 AEAERN CCC(CC)O[C@@H](C)C(C)=O 721592336 1169760955 /nfs/dbraw/zinc/76/09/55/1169760955.db2.gz ISCXUXOPXXDAQW-QMMMGPOBSA-N 0 0 158.241 2.169 10 0 AEAERN C[C@H]1CC[C@@H](Oc2cccc(N)n2)C1 721538042 1169761294 /nfs/dbraw/zinc/76/12/94/1169761294.db2.gz UBKJORGKGUIEMJ-DTWKUNHWSA-N 0 0 192.262 2.231 10 0 AEAERN CCC(=O)CO[C@H]1CC[C@@H](C)C1 721573406 1169761436 /nfs/dbraw/zinc/76/14/36/1169761436.db2.gz DSULWHOXIKBSME-SCZZXKLOSA-N 0 0 170.252 2.171 10 0 AEAERN CCC(CC)Oc1ccc(N)nc1 721590886 1169761529 /nfs/dbraw/zinc/76/15/29/1169761529.db2.gz AGDYUDZIOKXNII-UHFFFAOYSA-N 0 0 180.251 2.231 10 0 AEAERN C[C@@H]1CC[C@@H](Oc2ccc(N)nc2)C1 721534309 1169761562 /nfs/dbraw/zinc/76/15/62/1169761562.db2.gz XKGQYGKZRTUJQG-RKDXNWHRSA-N 0 0 192.262 2.231 10 0 AEAERN CCC(CC)OCCC(OC)OC 721611469 1169761577 /nfs/dbraw/zinc/76/15/77/1169761577.db2.gz BLZDJLHVAJVOCB-UHFFFAOYSA-N 0 0 190.283 2.201 10 0 AEAERN CCC(CC)OCCCC(=O)OC 721509447 1169761607 /nfs/dbraw/zinc/76/16/07/1169761607.db2.gz YBWMWFKOHMPTRT-UHFFFAOYSA-N 0 0 188.267 2.145 10 0 AEAERN CCC(CC)Oc1cc(=O)[nH]c(C)n1 721621424 1169761762 /nfs/dbraw/zinc/76/17/62/1169761762.db2.gz UHBKJKGDPBLMBD-UHFFFAOYSA-N 0 0 196.250 2.058 10 0 AEAERN CC(=O)[C@H](C)O[C@@H]1CC[C@@H](C)C1 721572029 1169761953 /nfs/dbraw/zinc/76/19/53/1169761953.db2.gz ABFRRAMZEGUJFB-FKTZTGRPSA-N 0 0 170.252 2.169 10 0 AEAERN CCC(CC)O[C@H](C)C(C)=O 721592333 1169762099 /nfs/dbraw/zinc/76/20/99/1169762099.db2.gz ISCXUXOPXXDAQW-MRVPVSSYSA-N 0 0 158.241 2.169 10 0 AEAERN C[C@H]1CC[C@H](Oc2cccc(N)n2)C1 721538044 1169762198 /nfs/dbraw/zinc/76/21/98/1169762198.db2.gz UBKJORGKGUIEMJ-IUCAKERBSA-N 0 0 192.262 2.231 10 0 AEAERN CCC(=O)COC(CC)CC 721593591 1169762209 /nfs/dbraw/zinc/76/22/09/1169762209.db2.gz PHKQOMJELKCCHI-UHFFFAOYSA-N 0 0 158.241 2.171 10 0 AEAERN C[C@@H]1CC[C@H](Oc2cccc(N)n2)C1 721538040 1169762681 /nfs/dbraw/zinc/76/26/81/1169762681.db2.gz UBKJORGKGUIEMJ-BDAKNGLRSA-N 0 0 192.262 2.231 10 0 AEAERN CC(=O)[C@H](C)O[C@@H]1CC[C@H](C)C1 721572032 1169762785 /nfs/dbraw/zinc/76/27/85/1169762785.db2.gz ABFRRAMZEGUJFB-UJNFCWOMSA-N 0 0 170.252 2.169 10 0 AEAERN C[C@H]1CC[C@H](Oc2ccc(N)nc2)C1 721534304 1169762801 /nfs/dbraw/zinc/76/28/01/1169762801.db2.gz XKGQYGKZRTUJQG-IUCAKERBSA-N 0 0 192.262 2.231 10 0 AEAERN CCC(=O)CO[C@@H]1CC[C@H](C)C1 721573409 1169762926 /nfs/dbraw/zinc/76/29/26/1169762926.db2.gz DSULWHOXIKBSME-WCBMZHEXSA-N 0 0 170.252 2.171 10 0 AEAERN C[C@@H]1CC[C@H](Oc2ccc(N)nc2)C1 721534294 1169762887 /nfs/dbraw/zinc/76/28/87/1169762887.db2.gz XKGQYGKZRTUJQG-BDAKNGLRSA-N 0 0 192.262 2.231 10 0 AEAERN CCCNc1ncc(CCC)cn1 722361254 1169763589 /nfs/dbraw/zinc/76/35/89/1169763589.db2.gz JTZAHODHZLHNND-UHFFFAOYSA-N 0 0 179.267 2.251 10 0 AEAERN C[C@H]1CC[C@H](Oc2ncccc2N)C1 721632542 1169763861 /nfs/dbraw/zinc/76/38/61/1169763861.db2.gz JSEQZILRSHTSFG-IUCAKERBSA-N 0 0 192.262 2.231 10 0 AEAERN C[C@@H]1CC[C@H](Oc2ncccc2N)C1 721632515 1169764033 /nfs/dbraw/zinc/76/40/33/1169764033.db2.gz JSEQZILRSHTSFG-BDAKNGLRSA-N 0 0 192.262 2.231 10 0 AEAERN CCCc1cc(N)ccc1F 722344508 1169764353 /nfs/dbraw/zinc/76/43/53/1169764353.db2.gz BMXHHDLEDDFSEU-UHFFFAOYSA-N 0 0 153.200 2.360 10 0 AEAERN CCCNc1nccc(CCC)n1 722359807 1169764368 /nfs/dbraw/zinc/76/43/68/1169764368.db2.gz LXEQDLVVDFCBBF-UHFFFAOYSA-N 0 0 179.267 2.251 10 0 AEAERN C[C@H]1CC[C@@H](Oc2ncccc2N)C1 721632520 1169764613 /nfs/dbraw/zinc/76/46/13/1169764613.db2.gz JSEQZILRSHTSFG-DTWKUNHWSA-N 0 0 192.262 2.231 10 0 AEAERN 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191.274 2.178 10 0 AEAERN C=C/C=C/CC(=O)Nc1ccsn1 1650848635 1170890751 /nfs/dbraw/zinc/89/07/51/1170890751.db2.gz BWECTCUJAGDVMU-ONEGZZNKSA-N 0 0 194.259 2.214 10 0 AEAERN C=C/C=C\CC(=O)Nc1ccsn1 1650848634 1170891154 /nfs/dbraw/zinc/89/11/54/1170891154.db2.gz BWECTCUJAGDVMU-ARJAWSKDSA-N 0 0 194.259 2.214 10 0 AEAERN C=C/C=C/CC(=O)N[C@@H]1CC12CCC2 1651496329 1170891534 /nfs/dbraw/zinc/89/15/34/1170891534.db2.gz DDZWLUSTMYOUAL-HMDXOVGESA-N 0 0 191.274 2.178 10 0 AEAERN CC[C@@H](C)[C@H](C)Sc1nncn1C 1652444427 1170895307 /nfs/dbraw/zinc/89/53/07/1170895307.db2.gz LKAUPIBOGSTXAD-SFYZADRCSA-N 0 0 199.323 2.342 10 0 AEAERN CC[C@@H](C)[C@@H](C)Sc1nncn1C 1652444425 1170896259 /nfs/dbraw/zinc/89/62/59/1170896259.db2.gz LKAUPIBOGSTXAD-HTQZYQBOSA-N 0 0 199.323 2.342 10 0 AEAERN CC[C@H](C)[C@@H](C)Sc1nncn1C 1652444426 1170896711 /nfs/dbraw/zinc/89/67/11/1170896711.db2.gz LKAUPIBOGSTXAD-JGVFFNPUSA-N 0 0 199.323 2.342 10 0 AEAERN CC[C@H](C)[C@H](C)Sc1nncn1C 1652444428 1170899547 /nfs/dbraw/zinc/89/95/47/1170899547.db2.gz LKAUPIBOGSTXAD-YUMQZZPRSA-N 0 0 199.323 2.342 10 0 AEAERN c1c[nH]c(SCc2cncs2)n1 1652683615 1170900671 /nfs/dbraw/zinc/90/06/71/1170900671.db2.gz ZABFYTNNJAXSNT-UHFFFAOYSA-N 0 0 197.288 2.159 10 0 AEAERN CCN1CCc2cc(F)cc(F)c2C1 1655151009 1170920160 /nfs/dbraw/zinc/92/01/60/1170920160.db2.gz ZPFHNZCXKNJKLD-UHFFFAOYSA-N 0 0 197.228 2.343 10 0 AEAERN CCCN1C[C@@H](F)C[C@H]1C(F)(F)F 1655116616 1170920378 /nfs/dbraw/zinc/92/03/78/1170920378.db2.gz MRZZUUNUVCHBFT-BQBZGAKWSA-N 0 0 199.191 2.371 10 0 AEAERN Cc1cc(Cn2ccnc2C)sn1 1656389187 1170922761 /nfs/dbraw/zinc/92/27/61/1170922761.db2.gz RPKJIZFIFYVMSY-UHFFFAOYSA-N 0 0 193.275 2.005 10 0 AEAERN c1coc(SCc2cncs2)n1 1656499926 1170922971 /nfs/dbraw/zinc/92/29/71/1170922971.db2.gz DGCDXYIMMXLNPZ-UHFFFAOYSA-N 0 0 198.272 2.423 10 0 AEAERN Fc1cncc(Oc2nccs2)c1 1655965409 1170923535 /nfs/dbraw/zinc/92/35/35/1170923535.db2.gz RLGNAKKCACEVMK-UHFFFAOYSA-N 0 0 196.206 2.470 10 0 AEAERN Cc1cc2c(cc1O)OCCCC2=O 1690107166 1170959779 /nfs/dbraw/zinc/95/97/79/1170959779.db2.gz ZIULJNAXQRVMFW-UHFFFAOYSA-N 0 0 192.214 2.056 10 0 AEAERN O=C1CCCSc2ccc(O)cc21 1690107153 1170959923 /nfs/dbraw/zinc/95/99/23/1170959923.db2.gz WWLDOZFOYJUFIC-UHFFFAOYSA-N 0 0 194.255 2.461 10 0 AEAERN Cc1c(F)ccc2c1OCCCC2=O 1690107105 1170960396 /nfs/dbraw/zinc/96/03/96/1170960396.db2.gz NAOFWMKBIFTRFA-UHFFFAOYSA-N 0 0 194.205 2.489 10 0 AEAERN O=C1CCCc2cnc(Cl)c(F)c21 1690107064 1170960520 /nfs/dbraw/zinc/96/05/20/1170960520.db2.gz FCIRKDKMIKIIQA-UHFFFAOYSA-N 0 0 199.612 2.393 10 0 AEAERN CC(=O)Nc1cc(Cl)cc(N)c1C 1690107341 1170960912 /nfs/dbraw/zinc/96/09/12/1170960912.db2.gz VPPGRIWTHDMVAA-UHFFFAOYSA-N 0 0 198.653 2.189 10 0 AEAERN Cc1cc2ccnc(Cl)c2[nH]c1=O 1690107149 1170960915 /nfs/dbraw/zinc/96/09/15/1170960915.db2.gz VXQOIEAKIQDZHW-UHFFFAOYSA-N 0 0 194.621 2.297 10 0 AEAERN O=C1CCCSc2cc(O)ccc21 1690107156 1170961026 /nfs/dbraw/zinc/96/10/26/1170961026.db2.gz XQYWDINMPVHCKM-UHFFFAOYSA-N 0 0 194.255 2.461 10 0 AEAERN Cc1c(O)ccc2c1OCCCC2=O 1690107070 1170961597 /nfs/dbraw/zinc/96/15/97/1170961597.db2.gz GBLXHCODPMOMTB-UHFFFAOYSA-N 0 0 192.214 2.056 10 0 AEAERN CC(=O)c1cccn2c(Cl)cnc12 213811516 571673399 /nfs/dbraw/zinc/67/33/99/571673399.db2.gz RAYDESXELYKUSP-UHFFFAOYSA-N 0 0 194.621 2.190 10 0 AEAERN CC(C)n1nc(C2CCCC2)nc1N 213805962 571672336 /nfs/dbraw/zinc/67/23/36/571672336.db2.gz QXSXHDIIKODUSG-UHFFFAOYSA-N 0 0 194.282 2.099 10 0 AEAERN CC(C)[C@H]1CCN(C(C)(C)C)CC1=O 78629 571672338 /nfs/dbraw/zinc/67/23/38/571672338.db2.gz MFTFDOYJUQEWNK-SNVBAGLBSA-N 0 0 197.322 2.332 10 0 AEAERN C[C@H](CCO)C1CCSCC1 213919184 571681278 /nfs/dbraw/zinc/68/12/78/571681278.db2.gz CSNGBLWJAOTPEL-MRVPVSSYSA-N 0 0 174.309 2.148 10 0 AEAERN CC[C@H](O)[C@@H](C)[C@](O)(CC)C(C)C 34568159 571672232 /nfs/dbraw/zinc/67/22/32/571672232.db2.gz TYUSWZYTLVTZSL-VWYCJHECSA-N 0 0 188.311 2.191 10 0 AEAERN Cn1cc(Br)cc1Cl 213810193 571672252 /nfs/dbraw/zinc/67/22/52/571672252.db2.gz VGLCWSNMUUKBLP-UHFFFAOYSA-N 0 0 194.459 2.441 10 0 AEAERN CCCCC(=O)c1cc(O)cc(O)c1 8306943 571672368 /nfs/dbraw/zinc/67/23/68/571672368.db2.gz YWEKAJDDLGWRPZ-UHFFFAOYSA-N 0 0 194.230 2.471 10 0 AEAERN CC(=O)c1cccc2cnc(Cl)n12 213811261 571672362 /nfs/dbraw/zinc/67/23/62/571672362.db2.gz FYZQVBRDAVRQJN-UHFFFAOYSA-N 0 0 194.621 2.190 10 0 AEAERN C/C=C/COCCCCC(C)=O 51173918 571673461 /nfs/dbraw/zinc/67/34/61/571673461.db2.gz AVCGRHJWZCEHCX-ONEGZZNKSA-N 0 0 170.252 2.338 10 0 AEAERN Nc1cnc(Cl)c2cccc(O)c12 213813544 571672564 /nfs/dbraw/zinc/67/25/64/571672564.db2.gz NCNJVOAQGSMNGN-UHFFFAOYSA-N 0 0 194.621 2.176 10 0 AEAERN Oc1ccc(-n2cccn2)c(Cl)c1 213811948 571672653 /nfs/dbraw/zinc/67/26/53/571672653.db2.gz MNUCVKMZCULZNU-UHFFFAOYSA-N 0 0 194.621 2.231 10 0 AEAERN CCc1cccc(C(C)(C)O)c1OC 213792272 571672682 /nfs/dbraw/zinc/67/26/82/571672682.db2.gz YJKCAQIKXFXSFA-UHFFFAOYSA-N 0 0 194.274 2.485 10 0 AEAERN COCCCC[C@]1(O)CCC[C@@H]2C[C@@H]21 686329552 571672698 /nfs/dbraw/zinc/67/26/98/571672698.db2.gz LPMIJEXSFDINQG-WOPDTQHZSA-N 0 0 198.306 2.354 10 0 AEAERN Nc1cnc(Cl)c2cc(O)ccc12 213813621 571672713 /nfs/dbraw/zinc/67/27/13/571672713.db2.gz QPJHTLVRVPVFEA-UHFFFAOYSA-N 0 0 194.621 2.176 10 0 AEAERN CC(=O)c1ccc2ncc(Cl)n2c1 213811676 571672715 /nfs/dbraw/zinc/67/27/15/571672715.db2.gz MJLHTJLUXLTQQU-UHFFFAOYSA-N 0 0 194.621 2.190 10 0 AEAERN CC(=O)c1ccn2c(Cl)cnc2c1 213811598 571672786 /nfs/dbraw/zinc/67/27/86/571672786.db2.gz NDNRPOCGZQFXLR-UHFFFAOYSA-N 0 0 194.621 2.190 10 0 AEAERN CC(=O)c1nc2ccccn2c1Cl 213811858 571672851 /nfs/dbraw/zinc/67/28/51/571672851.db2.gz ANDRCQOASBCQFJ-UHFFFAOYSA-N 0 0 194.621 2.190 10 0 AEAERN COc1ccc(CO)c2ccsc12 213790076 571672856 /nfs/dbraw/zinc/67/28/56/571672856.db2.gz FMVOAGLTNHTIOT-UHFFFAOYSA-N 0 0 194.255 2.402 10 0 AEAERN COCCCC[C@]1(O)CCC[C@H]2C[C@H]21 686329550 571672938 /nfs/dbraw/zinc/67/29/38/571672938.db2.gz LPMIJEXSFDINQG-TUAOUCFPSA-N 0 0 198.306 2.354 10 0 AEAERN C/C=C/COCC(=O)c1ccccc1 51174048 571672963 /nfs/dbraw/zinc/67/29/63/571672963.db2.gz MXHXCRGIJAGWBI-NSCUHMNNSA-N 0 0 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/nfs/dbraw/zinc/67/48/16/571674816.db2.gz JWQMDQANUJBZQR-VIFPVBQESA-N 0 0 170.252 2.028 10 0 AEAERN OCCCC/C=C/C=C/CCCCO 219240286 571674859 /nfs/dbraw/zinc/67/48/59/571674859.db2.gz BMCGRUJRFGFFBJ-ZPUQHVIOSA-N 0 0 198.306 2.424 10 0 AEAERN CCCCC[C@@H]1O[C@@H](O)C[C@@H]1C 213830837 571674877 /nfs/dbraw/zinc/67/48/77/571674877.db2.gz XPMYVWDEZUCUKQ-LPEHRKFASA-N 0 0 172.268 2.310 10 0 AEAERN CCOCC[C@H](O)CCC(C)C 53786253 571675016 /nfs/dbraw/zinc/67/50/16/571675016.db2.gz ZGZFHVTUFZNQOE-SNVBAGLBSA-N 0 0 174.284 2.210 10 0 AEAERN c1cc2c(NC3CCC3)ccnc2cn1 335055305 571675541 /nfs/dbraw/zinc/67/55/41/571675541.db2.gz OCZWAVBNEGDPAE-UHFFFAOYSA-N 0 0 199.257 2.016 10 0 AEAERN CC(C)C(=O)[C@H]1CCCCCO1 213834407 571676366 /nfs/dbraw/zinc/67/63/66/571676366.db2.gz WFIVDUZBAKZYFE-SECBINFHSA-N 0 0 170.252 2.171 10 0 AEAERN CC(C)C(=O)[C@@H]1CCCCOC1 213834192 571676556 /nfs/dbraw/zinc/67/65/56/571676556.db2.gz JWQMDQANUJBZQR-SECBINFHSA-N 0 0 170.252 2.028 10 0 AEAERN c1ccc2c(c1)cc1c3[nH]c=3n12 201351702 571676813 /nfs/dbraw/zinc/67/68/13/571676813.db2.gz UODOZQYOQPMOIE-UHFFFAOYSA-N 0 0 154.172 2.021 10 0 AEAERN O=C(C1CC1)[C@@H]1CCCSC1 213853753 571676885 /nfs/dbraw/zinc/67/68/85/571676885.db2.gz PSRRQAVFXYUMTM-MRVPVSSYSA-N 0 0 170.277 2.109 10 0 AEAERN O=C1Nc2ccc(O)c3cccc1c23 127449 571677029 /nfs/dbraw/zinc/67/70/29/571677029.db2.gz JVBDTVFHEJJWEU-UHFFFAOYSA-N 0 0 185.182 2.111 10 0 AEAERN O=C(C1CCCC1)[C@H]1CCS1 213853539 571677080 /nfs/dbraw/zinc/67/70/80/571677080.db2.gz AAQFMIBBABASCV-MRVPVSSYSA-N 0 0 170.277 2.251 10 0 AEAERN C[NH2+]CC(=O)c1ccc([C@@H](C)F)cc1 213858217 571677169 /nfs/dbraw/zinc/67/71/69/571677169.db2.gz QRSSAIRJBWLHSP-MRVPVSSYSA-N 0 0 195.237 2.119 10 0 AEAERN C[C@H](CO)[C@@H]1CCCSCC1 213918781 571679610 /nfs/dbraw/zinc/67/96/10/571679610.db2.gz HBDMFSCPERUWKG-RKDXNWHRSA-N 0 0 174.309 2.148 10 0 AEAERN CCCC/C=C/c1nnc(N)s1 8726828 571677378 /nfs/dbraw/zinc/67/73/78/571677378.db2.gz XSPVYTOEORIMFI-AATRIKPKSA-N 0 0 183.280 2.324 10 0 AEAERN 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164.195 2.050 10 0 AEAERN C[NH2+]CC(=O)c1cccc([C@H](C)F)c1 213857685 571678293 /nfs/dbraw/zinc/67/82/93/571678293.db2.gz HKWWLXNUDPRWFA-QMMMGPOBSA-N 0 0 195.237 2.119 10 0 AEAERN COCC[C@@H](O)CC1CCCCC1 53785896 571678337 /nfs/dbraw/zinc/67/83/37/571678337.db2.gz ZLRHUFFKYRPQHQ-LLVKDONJSA-N 0 0 186.295 2.354 10 0 AEAERN Cc1noc(-n2cccc2)c1C 138072 571678358 /nfs/dbraw/zinc/67/83/58/571678358.db2.gz LASGGRUCCAHNAW-UHFFFAOYSA-N 0 0 162.192 2.082 10 0 AEAERN C[NH2+]CC(=O)c1ccc([C@H](C)F)cc1 213858171 571678366 /nfs/dbraw/zinc/67/83/66/571678366.db2.gz QRSSAIRJBWLHSP-QMMMGPOBSA-N 0 0 195.237 2.119 10 0 AEAERN CCOCC[C@@H](O)CCC(C)C 53786254 571678682 /nfs/dbraw/zinc/67/86/82/571678682.db2.gz ZGZFHVTUFZNQOE-JTQLQIEISA-N 0 0 174.284 2.210 10 0 AEAERN OCC1(C(F)F)CCCCC1 213856447 571678683 /nfs/dbraw/zinc/67/86/83/571678683.db2.gz AILWEYLMIBUHGP-UHFFFAOYSA-N 0 0 164.195 2.194 10 0 AEAERN CC1(C)C[C@@H]1[NH2+]CCCCCC(=O)[O-] 70597237 571678759 /nfs/dbraw/zinc/67/87/59/571678759.db2.gz 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571680132 /nfs/dbraw/zinc/68/01/32/571680132.db2.gz QWHJMWBGTQCSHC-FOSCPWQOSA-N 0 0 193.290 2.045 10 0 AEAERN O=C([O-])CCCCC[NH2+]CC1CCC1 70597106 571680196 /nfs/dbraw/zinc/68/01/96/571680196.db2.gz BMRDFDXKVYNTLJ-UHFFFAOYSA-N 0 0 199.294 2.021 10 0 AEAERN CC(C)C[C@H](C)C[C@@H]1CCNC1=O 300999343 571680270 /nfs/dbraw/zinc/68/02/70/571680270.db2.gz WVUBUILVEAZOGY-UWVGGRQHSA-N 0 0 183.295 2.195 10 0 AEAERN CC[C@@H](CO)[C@H]1CCCSC1 213919391 571680346 /nfs/dbraw/zinc/68/03/46/571680346.db2.gz PORKONSRWNHOLS-IUCAKERBSA-N 0 0 174.309 2.148 10 0 AEAERN CCC(C)(C)C(=O)Cc1cnsn1 400000901 571680641 /nfs/dbraw/zinc/68/06/41/571680641.db2.gz WDGKPFHRJBRJBJ-UHFFFAOYSA-N 0 0 198.291 2.086 10 0 AEAERN CCC(C)(C)/C=C\C(=O)OC 213882006 571680699 /nfs/dbraw/zinc/68/06/99/571680699.db2.gz UKKQMWTXPLJDMB-SREVYHEPSA-N 0 0 156.225 2.152 10 0 AEAERN COc1c(C)cc(N)c(O)c1C(C)C 213870174 571680712 /nfs/dbraw/zinc/68/07/12/571680712.db2.gz GSGBJIVYESGWAZ-UHFFFAOYSA-N 0 0 195.262 2.415 10 0 AEAERN 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571683954 /nfs/dbraw/zinc/68/39/54/571683954.db2.gz CAOUBTLYKDZJOI-UHFFFAOYSA-N 0 0 196.221 2.296 10 0 AEAERN CC[C@@H](CCO)[C@H]1CCSC1 213920188 571684027 /nfs/dbraw/zinc/68/40/27/571684027.db2.gz SXPPHSJWHHZDKO-IUCAKERBSA-N 0 0 174.309 2.148 10 0 AEAERN COc1cc(OC)c(C)c([C@@H](C)O)c1 213941561 571684039 /nfs/dbraw/zinc/68/40/39/571684039.db2.gz PYBQGADVMLGYSM-MRVPVSSYSA-N 0 0 196.246 2.066 10 0 AEAERN CCOc1cccc(OC)c1[C@H](C)O 213941770 571684084 /nfs/dbraw/zinc/68/40/84/571684084.db2.gz GYYVCZXFLSLJJS-QMMMGPOBSA-N 0 0 196.246 2.147 10 0 AEAERN CCCC[C@H](O)[C@@H]1CCOC[C@H]1C 300999523 571684114 /nfs/dbraw/zinc/68/41/14/571684114.db2.gz KKTFRNRKQSUQPF-MXWKQRLJSA-N 0 0 186.295 2.210 10 0 AEAERN CC[C@H](CO)[C@H]1CCCSC1 213919449 571684216 /nfs/dbraw/zinc/68/42/16/571684216.db2.gz PORKONSRWNHOLS-BDAKNGLRSA-N 0 0 174.309 2.148 10 0 AEAERN CCOCC[C@@H](O)c1ccsc1 53783203 571685799 /nfs/dbraw/zinc/68/57/99/571685799.db2.gz QDHIEUIVYCKPQC-SECBINFHSA-N 0 0 186.276 2.208 10 0 AEAERN 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174.309 2.148 10 0 AEAERN CC(C)[C@@H](CCO)C1CSC1 213920562 571685014 /nfs/dbraw/zinc/68/50/14/571685014.db2.gz UOQLDSDMKDVOEE-SECBINFHSA-N 0 0 174.309 2.004 10 0 AEAERN C[C@H](NCCC1CC1)C(F)(F)F 393378482 571685035 /nfs/dbraw/zinc/68/50/35/571685035.db2.gz ZDROPJMKXAVYSK-LURJTMIESA-N 0 0 181.201 2.327 10 0 AEAERN CCOCC[C@@H](O)c1cccs1 53782123 571685820 /nfs/dbraw/zinc/68/58/20/571685820.db2.gz UISXTZASLZHSBX-MRVPVSSYSA-N 0 0 186.276 2.208 10 0 AEAERN CC(C)[C@H](CO)[C@@H]1CCSC1 213919862 571685210 /nfs/dbraw/zinc/68/52/10/571685210.db2.gz KEIUUOBPLVXRPB-BDAKNGLRSA-N 0 0 174.309 2.004 10 0 AEAERN C[C@H](CCO)[C@H]1CCCSC1 213919720 571685315 /nfs/dbraw/zinc/68/53/15/571685315.db2.gz LAWXJDZPKPSYJX-BDAKNGLRSA-N 0 0 174.309 2.148 10 0 AEAERN COCC[C@H](O)CC1CCCCC1 53785895 571685403 /nfs/dbraw/zinc/68/54/03/571685403.db2.gz ZLRHUFFKYRPQHQ-NSHDSACASA-N 0 0 186.295 2.354 10 0 AEAERN Cc1cncc(-c2cc(C)c(N)cn2)c1 300999554 571685454 /nfs/dbraw/zinc/68/54/54/571685454.db2.gz 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/nfs/dbraw/zinc/68/73/93/571687393.db2.gz NSKCVDNPBKQLTL-NSHDSACASA-N 0 0 198.237 2.286 10 0 AEAERN Cc1ccc(-c2nsc(=O)o2)s1 251286 571687405 /nfs/dbraw/zinc/68/74/05/571687405.db2.gz JAPCQVLGEVKDLH-UHFFFAOYSA-N 0 0 199.256 2.133 10 0 AEAERN C/C=C/C=C/OCC(C)(C)CO 213889641 571687497 /nfs/dbraw/zinc/68/74/97/571687497.db2.gz UMUHZXBQOJRNEZ-YTXTXJHMSA-N 0 0 170.252 2.111 10 0 AEAERN S=C1COc2ccc(Cl)cc2N1 260606 571687588 /nfs/dbraw/zinc/68/75/88/571687588.db2.gz SFOFRWGUMUNPQF-UHFFFAOYSA-N 0 0 199.662 2.472 10 0 AEAERN COC1CCC([C@]2(O)CC[C@H]2C)CC1 686329875 571687590 /nfs/dbraw/zinc/68/75/90/571687590.db2.gz OFUIEWPSWLMVJW-YYJSSNLHSA-N 0 0 198.306 2.353 10 0 AEAERN CCOCC[C@@H](O)c1cccc(F)c1 53781921 571687593 /nfs/dbraw/zinc/68/75/93/571687593.db2.gz LQRWNDBMHKJJNY-LLVKDONJSA-N 0 0 198.237 2.286 10 0 AEAERN CCOCC[C@@H](O)c1ccc(F)cc1 53781803 571687673 /nfs/dbraw/zinc/68/76/73/571687673.db2.gz NSKCVDNPBKQLTL-LLVKDONJSA-N 0 0 198.237 2.286 10 0 AEAERN CCOCC[C@@H](O)c1ccccc1 53783929 571687712 /nfs/dbraw/zinc/68/77/12/571687712.db2.gz FCNLXBFQNHVTIR-LLVKDONJSA-N 0 0 180.247 2.147 10 0 AEAERN COC1CCC([C@@]2(O)CC[C@@H]2C)CC1 686329872 571687720 /nfs/dbraw/zinc/68/77/20/571687720.db2.gz OFUIEWPSWLMVJW-WNYYMSAVSA-N 0 0 198.306 2.353 10 0 AEAERN CCOCC[C@@H](O)c1cccc(C)c1 53784287 571687726 /nfs/dbraw/zinc/68/77/26/571687726.db2.gz FVUDYPOLMOPEOX-GFCCVEGCSA-N 0 0 194.274 2.455 10 0 AEAERN CCOCC[C@@H](O)c1ccc(C)cc1 53782440 571687741 /nfs/dbraw/zinc/68/77/41/571687741.db2.gz BZRULDHVGKXUHS-GFCCVEGCSA-N 0 0 194.274 2.455 10 0 AEAERN CCCC(=O)[C@H](CC)[C@H](O)C(C)C 213904468 571687867 /nfs/dbraw/zinc/68/78/67/571687867.db2.gz HNTYTRJAQGPVFH-GXSJLCMTSA-N 0 0 186.295 2.399 10 0 AEAERN CC[C@H]1C[C@H]1Nc1ccc(N)c(N)c1 234132420 571687904 /nfs/dbraw/zinc/68/79/04/571687904.db2.gz YHNGNFFFJSUSQB-WRWORJQWSA-N 0 0 191.278 2.061 10 0 AEAERN O[C@H](C1CCCC1)[C@@H]1CCS1 213902627 571687956 /nfs/dbraw/zinc/68/79/56/571687956.db2.gz ZWOGGDDXXJUCRD-DTWKUNHWSA-N 0 0 172.293 2.043 10 0 AEAERN 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CC[NH2+][C@]1(C(=O)[O-])CCCC[C@H]1CC 70568544 571694945 /nfs/dbraw/zinc/69/49/45/571694945.db2.gz YVLMEOJXXZXUAX-MWLCHTKSSA-N 0 0 199.294 2.020 10 0 AEAERN CC[C@H]1CCC[C@@H](C(=O)COC)C1 70566311 571695016 /nfs/dbraw/zinc/69/50/16/571695016.db2.gz BZYKMUYOSGLGJK-VHSXEESVSA-N 0 0 184.279 2.418 10 0 AEAERN COCCCC[C@](C)(O)c1ccoc1 686330792 571695071 /nfs/dbraw/zinc/69/50/71/571695071.db2.gz YWTIXWYDQXRZLO-NSHDSACASA-N 0 0 198.262 2.304 10 0 AEAERN COCCCCC(O)(C1CC1)C1CC1 686330814 571695117 /nfs/dbraw/zinc/69/51/17/571695117.db2.gz ZOIBCOYQXYALFE-UHFFFAOYSA-N 0 0 198.306 2.354 10 0 AEAERN COc1cccc2c1[C@H](O)CCC2 138776075 571695130 /nfs/dbraw/zinc/69/51/30/571695130.db2.gz FHIDEOZYXKAHDE-SECBINFHSA-N 0 0 178.231 2.065 10 0 AEAERN CC[NH2+][C@@]1(C(=O)[O-])CCCC[C@H]1CC 70568546 571695139 /nfs/dbraw/zinc/69/51/39/571695139.db2.gz YVLMEOJXXZXUAX-KOLCDFICSA-N 0 0 199.294 2.020 10 0 AEAERN Oc1ccc(OCC2CSC2)cc1 213959279 571695151 /nfs/dbraw/zinc/69/51/51/571695151.db2.gz DDUXCZFYUWIBBH-UHFFFAOYSA-N 0 0 196.271 2.134 10 0 AEAERN CC[C@H]1CCC[C@@H](OCCCO)C1 70564645 571695161 /nfs/dbraw/zinc/69/51/61/571695161.db2.gz RUYHSJBEIOLMLO-WDEREUQCSA-N 0 0 186.295 2.354 10 0 AEAERN CC[C@@H]1CCC[C@H](C(=O)COC)C1 70566308 571695211 /nfs/dbraw/zinc/69/52/11/571695211.db2.gz BZYKMUYOSGLGJK-ZJUUUORDSA-N 0 0 184.279 2.418 10 0 AEAERN CCCc1cccc(CCO)c1 77914738 571695247 /nfs/dbraw/zinc/69/52/47/571695247.db2.gz PXZNCHUZYHTMCP-UHFFFAOYSA-N 0 0 164.248 2.174 10 0 AEAERN CC[NH2+][C@@]1(C(=O)[O-])CCCC[C@@H]1CC 70568547 571695428 /nfs/dbraw/zinc/69/54/28/571695428.db2.gz YVLMEOJXXZXUAX-ONGXEEELSA-N 0 0 199.294 2.020 10 0 AEAERN C[C@H](O)c1cccc2[nH]nc(Cl)c12 213982793 571695602 /nfs/dbraw/zinc/69/56/02/571695602.db2.gz DRKHFCOFQSJMBB-YFKPBYRVSA-N 0 0 196.637 2.270 10 0 AEAERN CC[C@H](C)C[C@@](C)(O)[C@@H](C)OC 229419525 571695666 /nfs/dbraw/zinc/69/56/66/571695666.db2.gz ZBUYIQOPCBATSL-IVZWLZJFSA-N 0 0 174.284 2.209 10 0 AEAERN C[C@@H](O)C1(CCC(F)(F)F)CC1 235230201 571695679 /nfs/dbraw/zinc/69/56/79/571695679.db2.gz AYRKENYJOLVLJJ-ZCFIWIBFSA-N 0 0 182.185 2.490 10 0 AEAERN O[C@H](CC1CC1)c1c(F)cncc1F 710791800 571695764 /nfs/dbraw/zinc/69/57/64/571695764.db2.gz BXJFJWITCQKIMQ-SECBINFHSA-N 0 0 199.200 2.193 10 0 AEAERN CC[C@@H]1CCC[C@@H]([C@H](O)COC)C1 70566458 571695851 /nfs/dbraw/zinc/69/58/51/571695851.db2.gz TWOITCQUWLJBHP-GMTAPVOTSA-N 0 0 186.295 2.210 10 0 AEAERN C[C@@H](O)C1(CCOC(F)(F)F)CC1 235230876 571695992 /nfs/dbraw/zinc/69/59/92/571695992.db2.gz MWCUTQJIDXGAAJ-ZCFIWIBFSA-N 0 0 198.184 2.074 10 0 AEAERN CCn1ccnc1C(=O)[C@@H](C)C1CC1 168293385 571696006 /nfs/dbraw/zinc/69/60/06/571696006.db2.gz WZECLXDBBXVQRL-QMMMGPOBSA-N 0 0 192.262 2.132 10 0 AEAERN CC1(C)Oc2c(CO)cccc2S1 213958166 571696023 /nfs/dbraw/zinc/69/60/23/571696023.db2.gz RNZRZWTXTPHVOU-UHFFFAOYSA-N 0 0 196.271 2.400 10 0 AEAERN C=Cc1cccc(OC)c1C(=O)OC 34808966 571696049 /nfs/dbraw/zinc/69/60/49/571696049.db2.gz NUCDCOHBDLSDNC-UHFFFAOYSA-N 0 0 192.214 2.125 10 0 AEAERN CC1(C)OCCc2cc(O)ccc21 75568513 571696065 /nfs/dbraw/zinc/69/60/65/571696065.db2.gz BHGVXSLDRULBMP-UHFFFAOYSA-N 0 0 178.231 2.200 10 0 AEAERN C=CC(=O)OCCc1cccc(C)c1 113208216 571696081 /nfs/dbraw/zinc/69/60/81/571696081.db2.gz YLLMOWFLCNIVRF-UHFFFAOYSA-N 0 0 190.242 2.267 10 0 AEAERN CC[C@H]1CCC[C@H](C(=O)COC)C1 70566309 571696113 /nfs/dbraw/zinc/69/61/13/571696113.db2.gz BZYKMUYOSGLGJK-UWVGGRQHSA-N 0 0 184.279 2.418 10 0 AEAERN CC[C@@H]1CCC[C@H]([C@H](O)COC)C1 70566456 571696160 /nfs/dbraw/zinc/69/61/60/571696160.db2.gz TWOITCQUWLJBHP-OUAUKWLOSA-N 0 0 186.295 2.210 10 0 AEAERN CC(C)(O)c1ccc2c(c1)SCO2 213957995 571696170 /nfs/dbraw/zinc/69/61/70/571696170.db2.gz BAJGWJGFAMEWHW-UHFFFAOYSA-N 0 0 196.271 2.356 10 0 AEAERN Nc1nc(C=O)c(C2CCCC2)s1 213959496 571696283 /nfs/dbraw/zinc/69/62/83/571696283.db2.gz FOJBSHCPYBRQLG-UHFFFAOYSA-N 0 0 196.275 2.195 10 0 AEAERN COC1CCC([C@@H](O)C2CCC2)CC1 686330776 571696886 /nfs/dbraw/zinc/69/68/86/571696886.db2.gz YLJLFZPPRIFWTP-MCIGGMRASA-N 0 0 198.306 2.353 10 0 AEAERN COC[C@@](C)(O)[C@@H]1CCC[C@@H](C)C1 70565694 571696477 /nfs/dbraw/zinc/69/64/77/571696477.db2.gz HDUNHATZGKPRKG-GMTAPVOTSA-N 0 0 186.295 2.210 10 0 AEAERN Oc1cccc(OCC2CSC2)c1 213959202 571696660 /nfs/dbraw/zinc/69/66/60/571696660.db2.gz NQBJEUSYLQACND-UHFFFAOYSA-N 0 0 196.271 2.134 10 0 AEAERN COC[C@@](C)(O)[C@H]1CCC[C@@H](C)C1 70565692 571696804 /nfs/dbraw/zinc/69/68/04/571696804.db2.gz HDUNHATZGKPRKG-OUAUKWLOSA-N 0 0 186.295 2.210 10 0 AEAERN CC[C@@H]1CCC[C@H](OCCCO)C1 70564642 571696808 /nfs/dbraw/zinc/69/68/08/571696808.db2.gz RUYHSJBEIOLMLO-MNOVXSKESA-N 0 0 186.295 2.354 10 0 AEAERN CC[C@H](C)C[C@@H]1C(=O)CCN1C(C)C 712106391 571696848 /nfs/dbraw/zinc/69/68/48/571696848.db2.gz IWSXQLIYYKGMTJ-WDEREUQCSA-N 0 0 197.322 2.474 10 0 AEAERN O[C@@H](CC1CC1)c1c(F)cncc1F 710791808 571696866 /nfs/dbraw/zinc/69/68/66/571696866.db2.gz BXJFJWITCQKIMQ-VIFPVBQESA-N 0 0 199.200 2.193 10 0 AEAERN CCC[C@H](C)C(=O)c1cnccn1 168299030 571696973 /nfs/dbraw/zinc/69/69/73/571696973.db2.gz OJBIFRBRFGNLQS-QMMMGPOBSA-N 0 0 178.235 2.096 10 0 AEAERN CC[C@@](C)(O)C1CCC(OC)CC1 686330693 571697119 /nfs/dbraw/zinc/69/71/19/571697119.db2.gz YGBVRUKPFBXEDY-VQXHTEKXSA-N 0 0 186.295 2.353 10 0 AEAERN CC(C)n1nnc2ccc(Cl)nc21 213987011 571697121 /nfs/dbraw/zinc/69/71/21/571697121.db2.gz XDZWRUZHVQHRLX-UHFFFAOYSA-N 0 0 196.641 2.061 10 0 AEAERN C[C@@H](O)c1ccc2[nH]nc(Cl)c2c1 213982990 571697175 /nfs/dbraw/zinc/69/71/75/571697175.db2.gz YMXWEDIMSCFELN-RXMQYKEDSA-N 0 0 196.637 2.270 10 0 AEAERN CN1c2ccccc2C(=O)C1(C)C 38889986 571697340 /nfs/dbraw/zinc/69/73/40/571697340.db2.gz HZDAIVMNXJSKRM-UHFFFAOYSA-N 0 0 175.231 2.098 10 0 AEAERN C[C@@H](O)c1cccc2[nH]nc(Cl)c12 213982853 571697519 /nfs/dbraw/zinc/69/75/19/571697519.db2.gz DRKHFCOFQSJMBB-RXMQYKEDSA-N 0 0 196.637 2.270 10 0 AEAERN C[C@H](O)c1ccc2c(Cl)n[nH]c2c1 213983075 571697575 /nfs/dbraw/zinc/69/75/75/571697575.db2.gz RGXWREMIPTUBGE-YFKPBYRVSA-N 0 0 196.637 2.270 10 0 AEAERN CCC[C@@H](C)C(=O)c1cnccn1 168298958 571697691 /nfs/dbraw/zinc/69/76/91/571697691.db2.gz OJBIFRBRFGNLQS-MRVPVSSYSA-N 0 0 178.235 2.096 10 0 AEAERN Cc1cn(C)c(=O)c2c(C)cccc12 113210627 571697741 /nfs/dbraw/zinc/69/77/41/571697741.db2.gz KTQZODOALOPEOE-UHFFFAOYSA-N 0 0 187.242 2.155 10 0 AEAERN O=c1ccccn1C1CCCCC1 38890056 571697859 /nfs/dbraw/zinc/69/78/59/571697859.db2.gz SGTXYQQLTUJIJD-UHFFFAOYSA-N 0 0 177.247 2.354 10 0 AEAERN C[C@@H](O)c1cccc2c(Cl)n[nH]c12 213983271 571697906 /nfs/dbraw/zinc/69/79/06/571697906.db2.gz STKLHVLXXHIRNL-RXMQYKEDSA-N 0 0 196.637 2.270 10 0 AEAERN CCC[C@H](C)CNN1CCCCC1 213934172 571697923 /nfs/dbraw/zinc/69/79/23/571697923.db2.gz GNRGIMFMVUVRPG-NSHDSACASA-N 0 0 184.327 2.413 10 0 AEAERN Nc1sc2c(c1Cl)CCC2 214072322 571697958 /nfs/dbraw/zinc/69/79/58/571697958.db2.gz ZOJWRKGTPQUYKS-UHFFFAOYSA-N 0 0 173.668 2.472 10 0 AEAERN c1cc2cn[nH]c2cc1NCC1CC1 37134425 571698122 /nfs/dbraw/zinc/69/81/22/571698122.db2.gz VMHLFCNTGMMDCM-UHFFFAOYSA-N 0 0 187.246 2.385 10 0 AEAERN C[C@H](O)c1cccc2c(Cl)n[nH]c12 213983210 571698146 /nfs/dbraw/zinc/69/81/46/571698146.db2.gz STKLHVLXXHIRNL-YFKPBYRVSA-N 0 0 196.637 2.270 10 0 AEAERN COCCCC[C@@](C)(O)c1ccoc1 686330791 571698306 /nfs/dbraw/zinc/69/83/06/571698306.db2.gz YWTIXWYDQXRZLO-LLVKDONJSA-N 0 0 198.262 2.304 10 0 AEAERN COC1CCC([C@H](O)C2CCC2)CC1 686330702 571698376 /nfs/dbraw/zinc/69/83/76/571698376.db2.gz YLJLFZPPRIFWTP-HTAVTVPLSA-N 0 0 198.306 2.353 10 0 AEAERN CC(C)n1nnc2c(Cl)ccnc21 213986832 571698551 /nfs/dbraw/zinc/69/85/51/571698551.db2.gz PJIKJWZUUZCBMP-UHFFFAOYSA-N 0 0 196.641 2.061 10 0 AEAERN CC(C)n1nnc2cc(Cl)cnc21 213986926 571698556 /nfs/dbraw/zinc/69/85/56/571698556.db2.gz YONBBVOAPMKILM-UHFFFAOYSA-N 0 0 196.641 2.061 10 0 AEAERN CC[C@H](C)C[C@H]1C(=O)CCN1C(C)C 712106388 571698835 /nfs/dbraw/zinc/69/88/35/571698835.db2.gz IWSXQLIYYKGMTJ-QWRGUYRKSA-N 0 0 197.322 2.474 10 0 AEAERN C[C@@H](O)c1ccc2c(Cl)n[nH]c2c1 213983127 571698868 /nfs/dbraw/zinc/69/88/68/571698868.db2.gz RGXWREMIPTUBGE-RXMQYKEDSA-N 0 0 196.637 2.270 10 0 AEAERN CC[C@](C)(O)C1CCC(OC)CC1 686330690 571698925 /nfs/dbraw/zinc/69/89/25/571698925.db2.gz YGBVRUKPFBXEDY-ILDUYXDCSA-N 0 0 186.295 2.353 10 0 AEAERN Cc1ccc(C)c(CO)c1Cl 213983141 571699070 /nfs/dbraw/zinc/69/90/70/571699070.db2.gz VKZHQVCBBUGARQ-UHFFFAOYSA-N 0 0 170.639 2.449 10 0 AEAERN CC(C)C[C@@H](N)c1nnc(C(C)C)o1 11586576 571699154 /nfs/dbraw/zinc/69/91/54/571699154.db2.gz LIMYKVCORAPJKQ-MRVPVSSYSA-N 0 0 197.282 2.239 10 0 AEAERN C[C@@H](O)C1(CCCCCCO)CC1 235230456 571699219 /nfs/dbraw/zinc/69/92/19/571699219.db2.gz XGBDKYKMWOHLRM-SNVBAGLBSA-N 0 0 186.295 2.090 10 0 AEAERN Cc1cccc(N(C(N)=O)C(C)C)c1 407021 571699266 /nfs/dbraw/zinc/69/92/66/571699266.db2.gz BOPFLHYLIGVMGZ-UHFFFAOYSA-N 0 0 192.262 2.289 10 0 AEAERN C[C@H](O)c1ccc2[nH]nc(Cl)c2c1 213982936 571699296 /nfs/dbraw/zinc/69/92/96/571699296.db2.gz YMXWEDIMSCFELN-YFKPBYRVSA-N 0 0 196.637 2.270 10 0 AEAERN Oc1ccc(N2CCC(Cl)=N2)cc1 213981269 571699506 /nfs/dbraw/zinc/69/95/06/571699506.db2.gz OANNZWYOXYMKKI-UHFFFAOYSA-N 0 0 196.637 2.155 10 0 AEAERN COC(OC)[C@@H](C)Nc1ccccc1 70622606 571700379 /nfs/dbraw/zinc/70/03/79/571700379.db2.gz ZOGNOMOCBANTDO-SECBINFHSA-N 0 0 195.262 2.106 10 0 AEAERN Oc1cccc(N2CCC(Cl)=N2)c1 213981190 571699738 /nfs/dbraw/zinc/69/97/38/571699738.db2.gz NQQJMDOQQKADBJ-UHFFFAOYSA-N 0 0 196.637 2.155 10 0 AEAERN O[C@H](C1CCC1)[C@H]1CCCCCO1 214000512 571700371 /nfs/dbraw/zinc/70/03/71/571700371.db2.gz ABOUMIIGSFTAQX-GHMZBOCLSA-N 0 0 184.279 2.107 10 0 AEAERN O[C@@H](C1CCC1)[C@H]1CCCCCO1 214001311 571700300 /nfs/dbraw/zinc/70/03/00/571700300.db2.gz ABOUMIIGSFTAQX-MNOVXSKESA-N 0 0 184.279 2.107 10 0 AEAERN O[C@H](C1CCC1)[C@@H]1CCCCCO1 214001249 571700686 /nfs/dbraw/zinc/70/06/86/571700686.db2.gz ABOUMIIGSFTAQX-WDEREUQCSA-N 0 0 184.279 2.107 10 0 AEAERN Cc1ncc([C@]2(O)CC[C@H]3C[C@H]32)s1 687893830 571702071 /nfs/dbraw/zinc/70/20/71/571702071.db2.gz YZKZMSHUKIGKOJ-XKSSXDPKSA-N 0 0 195.287 2.069 10 0 AEAERN CC[C@@H](COC)Nc1cccc(O)c1 70623775 571701076 /nfs/dbraw/zinc/70/10/76/571701076.db2.gz RYCLMHLKEAPDEO-VIFPVBQESA-N 0 0 195.262 2.229 10 0 AEAERN O=C(C1CCC1)[C@@H]1CCCSC1 214031526 571703641 /nfs/dbraw/zinc/70/36/41/571703641.db2.gz USGLJCINUFWORB-SECBINFHSA-N 0 0 184.304 2.499 10 0 AEAERN CC[C@@H](COC)Nc1ccc(O)cc1 70624095 571701625 /nfs/dbraw/zinc/70/16/25/571701625.db2.gz DBZQDZSKWZIFOY-VIFPVBQESA-N 0 0 195.262 2.229 10 0 AEAERN COC(OC)[C@H](C)Nc1ccccc1 70622605 571701752 /nfs/dbraw/zinc/70/17/52/571701752.db2.gz ZOGNOMOCBANTDO-VIFPVBQESA-N 0 0 195.262 2.106 10 0 AEAERN CC[C@H](COC)Nc1ccc(O)cc1 70624096 571701787 /nfs/dbraw/zinc/70/17/87/571701787.db2.gz DBZQDZSKWZIFOY-SECBINFHSA-N 0 0 195.262 2.229 10 0 AEAERN CCc1ccc(OC)c(CC(C)=O)c1 82588587 571701874 /nfs/dbraw/zinc/70/18/74/571701874.db2.gz CZGZYXGUXGOAMQ-UHFFFAOYSA-N 0 0 192.258 2.389 10 0 AEAERN CC[C@@H](COC)Nc1cccc(N)c1 70625105 571702033 /nfs/dbraw/zinc/70/20/33/571702033.db2.gz VMIRTPMCRYTRON-JTQLQIEISA-N 0 0 194.278 2.106 10 0 AEAERN CCOc1ccc(CC(C)=O)cc1F 82588952 571702054 /nfs/dbraw/zinc/70/20/54/571702054.db2.gz BSPAZOLSHIEFFN-UHFFFAOYSA-N 0 0 196.221 2.356 10 0 AEAERN O[C@@H](C1CCC1)[C@@H]1CCCCCO1 214001367 571702265 /nfs/dbraw/zinc/70/22/65/571702265.db2.gz ABOUMIIGSFTAQX-QWRGUYRKSA-N 0 0 184.279 2.107 10 0 AEAERN CC[C@H](COC)Nc1cccc(N)c1 70625106 571702586 /nfs/dbraw/zinc/70/25/86/571702586.db2.gz VMIRTPMCRYTRON-SNVBAGLBSA-N 0 0 194.278 2.106 10 0 AEAERN Oc1cccc(-c2cn3nccc3[nH]2)c1 250048171 571702631 /nfs/dbraw/zinc/70/26/31/571702631.db2.gz FMWMQALVBUWXIK-UHFFFAOYSA-N 0 0 199.213 2.035 10 0 AEAERN CC[C@H](COC)Nc1cccc(O)c1 70623776 571702636 /nfs/dbraw/zinc/70/26/36/571702636.db2.gz RYCLMHLKEAPDEO-SECBINFHSA-N 0 0 195.262 2.229 10 0 AEAERN CSC1(Cn2cccc2C=O)CC1 235239286 571702749 /nfs/dbraw/zinc/70/27/49/571702749.db2.gz RAKQSAAFOPECSO-UHFFFAOYSA-N 0 0 195.287 2.196 10 0 AEAERN Cc1ncc([C@]2(O)CC[C@@H]3C[C@@H]32)s1 687893827 571703559 /nfs/dbraw/zinc/70/35/59/571703559.db2.gz YZKZMSHUKIGKOJ-WEDXCCLWSA-N 0 0 195.287 2.069 10 0 AEAERN CC[C@@H](COC)Nc1ccc(C)cn1 70626054 571703692 /nfs/dbraw/zinc/70/36/92/571703692.db2.gz XACPDWLPTWULLG-JTQLQIEISA-N 0 0 194.278 2.227 10 0 AEAERN CC[C@H](COC)Nc1ccc(C)cn1 70626055 571704170 /nfs/dbraw/zinc/70/41/70/571704170.db2.gz XACPDWLPTWULLG-SNVBAGLBSA-N 0 0 194.278 2.227 10 0 AEAERN O=C(C1CCC1)[C@H]1CCCSC1 214031585 571704417 /nfs/dbraw/zinc/70/44/17/571704417.db2.gz USGLJCINUFWORB-VIFPVBQESA-N 0 0 184.304 2.499 10 0 AEAERN O=C(C1CC1)[C@@H]1CCCCSC1 214030889 571704460 /nfs/dbraw/zinc/70/44/60/571704460.db2.gz YOOBZNIOCBXIET-SECBINFHSA-N 0 0 184.304 2.499 10 0 AEAERN O=C(C1CC1)[C@H]1CCCCSC1 214030945 571704639 /nfs/dbraw/zinc/70/46/39/571704639.db2.gz YOOBZNIOCBXIET-VIFPVBQESA-N 0 0 184.304 2.499 10 0 AEAERN Cc1csc(-c2ccc(CO)o2)n1 206699407 571704872 /nfs/dbraw/zinc/70/48/72/571704872.db2.gz XUQLPSDWPPGXHE-UHFFFAOYSA-N 0 0 195.243 2.204 10 0 AEAERN CC[C@H](COC)Nc1ncccc1C 70626013 571704820 /nfs/dbraw/zinc/70/48/20/571704820.db2.gz KQGOKKKKENZLAT-SNVBAGLBSA-N 0 0 194.278 2.227 10 0 AEAERN CC[C@H]1C[C@H]1Nc1ccnc(OC)c1 234134252 571705178 /nfs/dbraw/zinc/70/51/78/571705178.db2.gz FKDHOILBGANHFO-WCBMZHEXSA-N 0 0 192.262 2.301 10 0 AEAERN CC[C@@H](COC)Nc1ncccc1C 70626012 571705312 /nfs/dbraw/zinc/70/53/12/571705312.db2.gz KQGOKKKKENZLAT-JTQLQIEISA-N 0 0 194.278 2.227 10 0 AEAERN CCc1cccc(CC(C)=O)c1OC 107355097 571705850 /nfs/dbraw/zinc/70/58/50/571705850.db2.gz SQNKNZNEXBGBJD-UHFFFAOYSA-N 0 0 192.258 2.389 10 0 AEAERN C[NH2+]Cc1cc([C@H](C)F)ccc1OC 214042453 571705856 /nfs/dbraw/zinc/70/58/56/571705856.db2.gz RTVOIMKMLTWMEB-QMMMGPOBSA-N 0 0 197.253 2.445 10 0 AEAERN C/C=C\[C@H](CCO)C(C)C 214040004 571705916 /nfs/dbraw/zinc/70/59/16/571705916.db2.gz AOKQYKHFRJLNOT-XRVBUDJMSA-N 0 0 142.242 2.217 10 0 AEAERN CC(C)(C)O[C@](C)(C[NH3+])c1ccco1 214050708 571705939 /nfs/dbraw/zinc/70/59/39/571705939.db2.gz WIDCCABISOAZMB-LLVKDONJSA-N 0 0 197.278 2.269 10 0 AEAERN C[NH2+]Cc1cccc([C@@H](C)F)c1OC 214040492 571707102 /nfs/dbraw/zinc/70/71/02/571707102.db2.gz WJHWAHUCTGPMQK-MRVPVSSYSA-N 0 0 197.253 2.445 10 0 AEAERN Cc1ccc([C@](C)(C[NH3+])OC(C)C)o1 214050558 571706035 /nfs/dbraw/zinc/70/60/35/571706035.db2.gz GHEVXKBIUSHLBI-NSHDSACASA-N 0 0 197.278 2.187 10 0 AEAERN Cc1ccc([C@@](C)(C[NH3+])OC(C)C)o1 214050489 571706210 /nfs/dbraw/zinc/70/62/10/571706210.db2.gz GHEVXKBIUSHLBI-LLVKDONJSA-N 0 0 197.278 2.187 10 0 AEAERN C[C@@H](O)C1(CCc2cccnc2)CC1 235250565 571707108 /nfs/dbraw/zinc/70/71/08/571707108.db2.gz CHUIPGWZIPVJQB-SNVBAGLBSA-N 0 0 191.274 2.175 10 0 AEAERN OC1(C[C@H]2CCCCS2)CC1 214041347 571706526 /nfs/dbraw/zinc/70/65/26/571706526.db2.gz BBBNPZWNBURFEL-MRVPVSSYSA-N 0 0 172.293 2.187 10 0 AEAERN C[NH2+]Cc1cc([C@@H](C)F)ccc1OC 214042510 571706542 /nfs/dbraw/zinc/70/65/42/571706542.db2.gz RTVOIMKMLTWMEB-MRVPVSSYSA-N 0 0 197.253 2.445 10 0 AEAERN C[NH2+]Cc1cccc([C@H](C)F)c1OC 214040433 571706640 /nfs/dbraw/zinc/70/66/40/571706640.db2.gz WJHWAHUCTGPMQK-QMMMGPOBSA-N 0 0 197.253 2.445 10 0 AEAERN CC(C)(F)COc1ccccc1C[NH3+] 214044865 571706685 /nfs/dbraw/zinc/70/66/85/571706685.db2.gz UBUZJCSMTNCJAN-UHFFFAOYSA-N 0 0 197.253 2.272 10 0 AEAERN OC1(C[C@@H]2CCCSC2)CC1 214041493 571707074 /nfs/dbraw/zinc/70/70/74/571707074.db2.gz YYXBYCLHTXNKHY-QMMMGPOBSA-N 0 0 172.293 2.045 10 0 AEAERN C[C@@H](O)C1(CCc2ccncc2)CC1 235250663 571706870 /nfs/dbraw/zinc/70/68/70/571706870.db2.gz HGGAMHVQLWXUAT-SNVBAGLBSA-N 0 0 191.274 2.175 10 0 AEAERN C/C=C\[C@@H](CCO)C(C)C 214039882 571706852 /nfs/dbraw/zinc/70/68/52/571706852.db2.gz AOKQYKHFRJLNOT-WBSSQXGSSA-N 0 0 142.242 2.217 10 0 AEAERN C[C@H](F)CCOc1ccccc1C[NH3+] 214045067 571707165 /nfs/dbraw/zinc/70/71/65/571707165.db2.gz ZSXBHXRKFRCNNC-VIFPVBQESA-N 0 0 197.253 2.272 10 0 AEAERN C[C@@H](F)CCOc1ccccc1C[NH3+] 214045126 571707236 /nfs/dbraw/zinc/70/72/36/571707236.db2.gz ZSXBHXRKFRCNNC-SECBINFHSA-N 0 0 197.253 2.272 10 0 AEAERN CC[C@H]1C[C@H]1Nc1cnc(C)c(C)n1 234134511 571707345 /nfs/dbraw/zinc/70/73/45/571707345.db2.gz ZHADPDMVWJEYBH-VHSXEESVSA-N 0 0 191.278 2.304 10 0 AEAERN CC(C)(C)O[C@@](C)(C[NH3+])c1ccco1 214050639 571707540 /nfs/dbraw/zinc/70/75/40/571707540.db2.gz WIDCCABISOAZMB-NSHDSACASA-N 0 0 197.278 2.269 10 0 AEAERN C[C@@H](O)C1(CCC[C@H]2CCCO2)CC1 235249947 571707776 /nfs/dbraw/zinc/70/77/76/571707776.db2.gz KMTOLTAKMHHYCQ-MNOVXSKESA-N 0 0 198.306 2.497 10 0 AEAERN CCc1ccc(CC(C)=O)c(OC)c1 107355068 571707960 /nfs/dbraw/zinc/70/79/60/571707960.db2.gz WODPCPDLJIBOGF-UHFFFAOYSA-N 0 0 192.258 2.389 10 0 AEAERN Cc1ccc(N2C[C@H]3C[C@H]3C2)cc1 214062491 571709569 /nfs/dbraw/zinc/70/95/69/571709569.db2.gz IRLJDIUUVFMTPB-PHIMTYICSA-N 0 0 173.259 2.451 10 0 AEAERN CN1CC(c2ccc(O)cc2Cl)C1 214067872 571708320 /nfs/dbraw/zinc/70/83/20/571708320.db2.gz QRMFNZAWPFYJLD-UHFFFAOYSA-N 0 0 197.665 2.075 10 0 AEAERN C[C@@H](O)C1(CC[C@H]2CCCO2)CC1 235250324 571708416 /nfs/dbraw/zinc/70/84/16/571708416.db2.gz SHGATFSCZXMIPL-NXEZZACHSA-N 0 0 184.279 2.107 10 0 AEAERN CCc1cc(Cl)cc(C(=O)CN)c1 214067486 571708653 /nfs/dbraw/zinc/70/86/53/571708653.db2.gz PNVSLEGAEJZQLO-UHFFFAOYSA-N 0 0 197.665 2.044 10 0 AEAERN Cc1cccc(N2C[C@H]3C[C@H]3C2)c1 214062678 571708732 /nfs/dbraw/zinc/70/87/32/571708732.db2.gz CPRJFNYAHDRREN-PHIMTYICSA-N 0 0 173.259 2.451 10 0 AEAERN C[C@@H](O)C1(CCC[C@@H]2CCCO2)CC1 235249909 571708873 /nfs/dbraw/zinc/70/88/73/571708873.db2.gz KMTOLTAKMHHYCQ-GHMZBOCLSA-N 0 0 198.306 2.497 10 0 AEAERN CC[C@]1(C)CC(=O)CCS1 138782356 571708885 /nfs/dbraw/zinc/70/88/85/571708885.db2.gz HMYNKXLTACGBJB-MRVPVSSYSA-N 0 0 158.266 2.251 10 0 AEAERN C[C@@H](CCC(=O)[O-])[NH2+][C@@H](C)CC1CC1 70633641 571708920 /nfs/dbraw/zinc/70/89/20/571708920.db2.gz JRRKSMBXAUXHEV-IUCAKERBSA-N 0 0 199.294 2.018 10 0 AEAERN Br/C=C\c1ccon1 725379065 571708932 /nfs/dbraw/zinc/70/89/32/571708932.db2.gz XZCUSIIKNHUGLB-IWQZZHSRSA-N 0 0 173.997 2.040 10 0 AEAERN C[C@H](NCC(F)F)c1nccs1 70634399 571709049 /nfs/dbraw/zinc/70/90/49/571709049.db2.gz VODWKJLKWHJLGW-YFKPBYRVSA-N 0 0 192.234 2.059 10 0 AEAERN O=C1CCNc2cccc(Cl)c2O1 214064357 571709131 /nfs/dbraw/zinc/70/91/31/571709131.db2.gz ILMIFMNGLSWVJK-UHFFFAOYSA-N 0 0 197.621 2.061 10 0 AEAERN C[C@@H](O)C1(CC[C@@H]2CCCO2)CC1 235250283 571709174 /nfs/dbraw/zinc/70/91/74/571709174.db2.gz SHGATFSCZXMIPL-ZJUUUORDSA-N 0 0 184.279 2.107 10 0 AEAERN c1cnnc(N[C@H]2C[C@H]3CC[C@@H]2C3)c1 70632968 571709441 /nfs/dbraw/zinc/70/94/41/571709441.db2.gz SXKFSPCZTMVKIW-AEJSXWLSSA-N 0 0 189.262 2.077 10 0 AEAERN C[C@H](CCC(=O)[O-])[NH2+]C1CCCCC1 70633090 571709573 /nfs/dbraw/zinc/70/95/73/571709573.db2.gz KHZDUGKVPFZAMT-SECBINFHSA-N 0 0 199.294 2.162 10 0 AEAERN CONCc1cccc(OC(C)C)c1 107808747 571709591 /nfs/dbraw/zinc/70/95/91/571709591.db2.gz JAYULWNGJGWCRB-UHFFFAOYSA-N 0 0 195.262 2.125 10 0 AEAERN Cc1ccc(Cl)c(C(=O)CN)c1C 214067707 571709770 /nfs/dbraw/zinc/70/97/70/571709770.db2.gz ZXHSCPWCZBWFET-UHFFFAOYSA-N 0 0 197.665 2.098 10 0 AEAERN CCC(CC)[NH2+][C@H](C)CCC(=O)[O-] 70633106 571709868 /nfs/dbraw/zinc/70/98/68/571709868.db2.gz HGBQHEAORLIEKF-MRVPVSSYSA-N 0 0 187.283 2.018 10 0 AEAERN C[C@H](CCC(=O)[O-])[NH2+][C@H](C)CC1CC1 70633644 571709899 /nfs/dbraw/zinc/70/98/99/571709899.db2.gz JRRKSMBXAUXHEV-RKDXNWHRSA-N 0 0 199.294 2.018 10 0 AEAERN c1cnc(N[C@H]2C[C@H]3CC[C@@H]2C3)cn1 70633000 571709919 /nfs/dbraw/zinc/70/99/19/571709919.db2.gz ZAWHRRZSIPFCFD-AEJSXWLSSA-N 0 0 189.262 2.077 10 0 AEAERN O=C1CCNc2ccc(Cl)cc2O1 214064293 571709979 /nfs/dbraw/zinc/70/99/79/571709979.db2.gz MHSCWJKKKSMTRG-UHFFFAOYSA-N 0 0 197.621 2.061 10 0 AEAERN O=C1CCNc2cc(Cl)ccc2O1 214064215 571709997 /nfs/dbraw/zinc/70/99/97/571709997.db2.gz PBUBKCHBQDERKU-UHFFFAOYSA-N 0 0 197.621 2.061 10 0 AEAERN CCC[C@H](C)[NH2+][C@@H](C)CCC(=O)[O-] 70633120 571710211 /nfs/dbraw/zinc/71/02/11/571710211.db2.gz IFNLOOSITOITAM-IUCAKERBSA-N 0 0 187.283 2.018 10 0 AEAERN CCc1ccc(Cl)cc1C(=O)CN 214067785 571710225 /nfs/dbraw/zinc/71/02/25/571710225.db2.gz KZNGGWNZDJCFNA-UHFFFAOYSA-N 0 0 197.665 2.044 10 0 AEAERN CO[C@@H](CC[C@@H](O)C(C)C)C1CC1 400180374 571710234 /nfs/dbraw/zinc/71/02/34/571710234.db2.gz RFKWRZXDOMMIJQ-MNOVXSKESA-N 0 0 186.295 2.209 10 0 AEAERN CS[C@@H]1CCC[C@H]1NCC(F)F 235272132 571710365 /nfs/dbraw/zinc/71/03/65/571710365.db2.gz PBAZUWQOAZTHIV-RNFRBKRXSA-N 0 0 195.278 2.125 10 0 AEAERN CCC[C@@H](C)[NH2+][C@H](C)CCC(=O)[O-] 70633121 571710403 /nfs/dbraw/zinc/71/04/03/571710403.db2.gz IFNLOOSITOITAM-RKDXNWHRSA-N 0 0 187.283 2.018 10 0 AEAERN C[C@@H](CC1CC1)[NH2+][C@H](C)CCC(=O)[O-] 70633642 571710475 /nfs/dbraw/zinc/71/04/75/571710475.db2.gz JRRKSMBXAUXHEV-BDAKNGLRSA-N 0 0 199.294 2.018 10 0 AEAERN CCCCC[NH2+][C@@H](C)CCC(=O)[O-] 70633115 571710551 /nfs/dbraw/zinc/71/05/51/571710551.db2.gz SOTQWWGBHQKKNI-VIFPVBQESA-N 0 0 187.283 2.020 10 0 AEAERN c1cc(N[C@H]2C[C@H]3CC[C@@H]2C3)ncn1 70633022 571710569 /nfs/dbraw/zinc/71/05/69/571710569.db2.gz KHNXUDMXFUZWKD-AEJSXWLSSA-N 0 0 189.262 2.077 10 0 AEAERN C[C@@H](CCC(=O)[O-])[NH2+][C@@H]1CCC[C@@H]1C 70633602 571710572 /nfs/dbraw/zinc/71/05/72/571710572.db2.gz DDKNXLMNRHHQQN-LPEHRKFASA-N 0 0 199.294 2.018 10 0 AEAERN C[C@@H](CCC(=O)[O-])[NH2+][C@H]1CCC[C@@H]1C 70633600 571710642 /nfs/dbraw/zinc/71/06/42/571710642.db2.gz DDKNXLMNRHHQQN-GUBZILKMSA-N 0 0 199.294 2.018 10 0 AEAERN c1cnc(N[C@H]2C[C@H]3CC[C@@H]2C3)nc1 70632962 571710661 /nfs/dbraw/zinc/71/06/61/571710661.db2.gz WNKADEJCLNJNTM-AEJSXWLSSA-N 0 0 189.262 2.077 10 0 AEAERN C[C@@H](NCC(F)F)c1nccs1 70634400 571710769 /nfs/dbraw/zinc/71/07/69/571710769.db2.gz VODWKJLKWHJLGW-RXMQYKEDSA-N 0 0 192.234 2.059 10 0 AEAERN C[C@H](CCC(=O)[O-])[NH2+]CC1CCCC1 70633258 571711545 /nfs/dbraw/zinc/71/15/45/571711545.db2.gz OZLQRJFSRUKSAR-SECBINFHSA-N 0 0 199.294 2.020 10 0 AEAERN CCC(CC)[NH2+][C@@H](C)CCC(=O)[O-] 70633105 571710901 /nfs/dbraw/zinc/71/09/01/571710901.db2.gz HGBQHEAORLIEKF-QMMMGPOBSA-N 0 0 187.283 2.018 10 0 AEAERN CN1CCc2c(O)ccc(Cl)c2C1 214069163 571710927 /nfs/dbraw/zinc/71/09/27/571710927.db2.gz YRTYNJWXFUJLME-UHFFFAOYSA-N 0 0 197.665 2.034 10 0 AEAERN C[C@@H]1CC(C(=O)CCCO)C[C@@H](C)C1 235265777 571710994 /nfs/dbraw/zinc/71/09/94/571710994.db2.gz GMTCKCLASVOGCT-UWVGGRQHSA-N 0 0 198.306 2.400 10 0 AEAERN CN1CCc2cc(O)c(Cl)cc2C1 214069713 571711032 /nfs/dbraw/zinc/71/10/32/571711032.db2.gz YIVINPPFHAYCCR-UHFFFAOYSA-N 0 0 197.665 2.034 10 0 AEAERN C[C@@H](CCC(=O)[O-])[NH2+][C@H](C)CC1CC1 70633643 571711121 /nfs/dbraw/zinc/71/11/21/571711121.db2.gz JRRKSMBXAUXHEV-DTWKUNHWSA-N 0 0 199.294 2.018 10 0 AEAERN C[C@@H](CCC(=O)[O-])[NH2+]C1CCCCC1 70633089 571711167 /nfs/dbraw/zinc/71/11/67/571711167.db2.gz KHZDUGKVPFZAMT-VIFPVBQESA-N 0 0 199.294 2.162 10 0 AEAERN CN1CCc2c(ccc(Cl)c2O)C1 214069327 571711263 /nfs/dbraw/zinc/71/12/63/571711263.db2.gz PGTYGTPRJNPOKC-UHFFFAOYSA-N 0 0 197.665 2.034 10 0 AEAERN CCC[C@H](C)[NH2+][C@H](C)CCC(=O)[O-] 70633122 571711390 /nfs/dbraw/zinc/71/13/90/571711390.db2.gz IFNLOOSITOITAM-DTWKUNHWSA-N 0 0 187.283 2.018 10 0 AEAERN CCCCC[NH2+][C@H](C)CCC(=O)[O-] 70633116 571711412 /nfs/dbraw/zinc/71/14/12/571711412.db2.gz SOTQWWGBHQKKNI-SECBINFHSA-N 0 0 187.283 2.020 10 0 AEAERN CO[C@H](CC[C@H](O)C(C)C)C1CC1 400180376 571711473 /nfs/dbraw/zinc/71/14/73/571711473.db2.gz RFKWRZXDOMMIJQ-WDEREUQCSA-N 0 0 186.295 2.209 10 0 AEAERN CN1CCc2cc(Cl)c(O)cc2C1 214069663 571711489 /nfs/dbraw/zinc/71/14/89/571711489.db2.gz RFVQJISWGSDEGS-UHFFFAOYSA-N 0 0 197.665 2.034 10 0 AEAERN C[C@@H](CCC(=O)[O-])[NH2+]CC1CCCC1 70633257 571711574 /nfs/dbraw/zinc/71/15/74/571711574.db2.gz OZLQRJFSRUKSAR-VIFPVBQESA-N 0 0 199.294 2.020 10 0 AEAERN c1nnc(N[C@H]2C[C@H]3CC[C@@H]2C3)s1 70632958 571711637 /nfs/dbraw/zinc/71/16/37/571711637.db2.gz APZFJCLGJMOHKT-RNJXMRFFSA-N 0 0 195.291 2.139 10 0 AEAERN CCC[C@@H](C)[NH2+][C@@H](C)CCC(=O)[O-] 70633119 571711586 /nfs/dbraw/zinc/71/15/86/571711586.db2.gz IFNLOOSITOITAM-BDAKNGLRSA-N 0 0 187.283 2.018 10 0 AEAERN CCOC(=O)c1oc(C)nc1C1CC1 124936463 571711805 /nfs/dbraw/zinc/71/18/05/571711805.db2.gz OTFRUDFOERWMMV-UHFFFAOYSA-N 0 0 195.218 2.037 10 0 AEAERN CN1CCc2ccc(O)c(Cl)c2C1 214069497 571711808 /nfs/dbraw/zinc/71/18/08/571711808.db2.gz CTJZNHSDOCQCAR-UHFFFAOYSA-N 0 0 197.665 2.034 10 0 AEAERN OCCCc1ccc(OC2CC2)cc1 125526401 571711908 /nfs/dbraw/zinc/71/19/08/571711908.db2.gz VZXUOFPLTCFCEC-UHFFFAOYSA-N 0 0 192.258 2.153 10 0 AEAERN CCc1ccc(N(C)C(=O)OC)cc1 127234973 571711946 /nfs/dbraw/zinc/71/19/46/571711946.db2.gz CMTURYMFNIBEMA-UHFFFAOYSA-N 0 0 193.246 2.452 10 0 AEAERN OCCCc1cccc(OC2CC2)c1 125631132 571712388 /nfs/dbraw/zinc/71/23/88/571712388.db2.gz FSMXGFHITLNYTK-UHFFFAOYSA-N 0 0 192.258 2.153 10 0 AEAERN Cc1ccnc(Cc2ccccc2)n1 501419 571712706 /nfs/dbraw/zinc/71/27/06/571712706.db2.gz BJGVBSOQMBHZNW-UHFFFAOYSA-N 0 0 184.242 2.376 10 0 AEAERN O[C@H](C1CCCCC1)[C@@H]1CCS1 214093352 571713641 /nfs/dbraw/zinc/71/36/41/571713641.db2.gz FJZURNSAGUEQRF-VHSXEESVSA-N 0 0 186.320 2.433 10 0 AEAERN CC(C)[C@H](CCO)[C@@H]1CCCOC1 214091426 571713653 /nfs/dbraw/zinc/71/36/53/571713653.db2.gz MACNMPSFMCPXLE-MNOVXSKESA-N 0 0 186.295 2.068 10 0 AEAERN CC[C@@H](CCCO)[C@@H]1CCCCO1 214089970 571713659 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214092392 571714596 /nfs/dbraw/zinc/71/45/96/571714596.db2.gz IEFPUAAMFDWZIJ-VHSXEESVSA-N 0 0 186.320 2.433 10 0 AEAERN OC[C@H](C1CC1)[C@@H]1CCCSC1 214094609 571714616 /nfs/dbraw/zinc/71/46/16/571714616.db2.gz TZDWIHHWPUAANJ-NXEZZACHSA-N 0 0 186.320 2.148 10 0 AEAERN OC[C@@H](C1CCCC1)[C@H]1CCS1 214093730 571714620 /nfs/dbraw/zinc/71/46/20/571714620.db2.gz OJOCDMBIGJMGAW-VHSXEESVSA-N 0 0 186.320 2.291 10 0 AEAERN CC[C@@H](CCCO)C1CCOCC1 214091227 571714624 /nfs/dbraw/zinc/71/46/24/571714624.db2.gz IIMGDLDMNZFQIK-JTQLQIEISA-N 0 0 186.295 2.212 10 0 AEAERN CC[C@@H](CCCO)[C@H]1CCCCO1 214090075 571714629 /nfs/dbraw/zinc/71/46/29/571714629.db2.gz WBRMVEGABDEWHG-WDEREUQCSA-N 0 0 186.295 2.354 10 0 AEAERN OC[C@H](C1CC1)[C@H]1CCCCS1 214092733 571714661 /nfs/dbraw/zinc/71/46/61/571714661.db2.gz AJBSCDGMYGBXFQ-NXEZZACHSA-N 0 0 186.320 2.291 10 0 AEAERN CC[C@@H](CCCO)[C@@H]1CCCOC1 214091617 571714666 /nfs/dbraw/zinc/71/46/66/571714666.db2.gz GLVUOEHSRBVNQS-WDEREUQCSA-N 0 0 186.295 2.212 10 0 AEAERN CC[C@H](CCO)[C@@H]1CCCOCC1 214090680 571714692 /nfs/dbraw/zinc/71/46/92/571714692.db2.gz XVFUCCPGLGGVDM-GHMZBOCLSA-N 0 0 186.295 2.212 10 0 AEAERN OCc1ccc2[nH]c3cnccc3c2c1 214096032 571714713 /nfs/dbraw/zinc/71/47/13/571714713.db2.gz GUOTWCIRFUQEIB-UHFFFAOYSA-N 0 0 198.225 2.208 10 0 AEAERN CC(C)[C@@H](CO)[C@H]1CCCCCO1 214089119 571714753 /nfs/dbraw/zinc/71/47/53/571714753.db2.gz BVSUBIUJBDJWMY-GHMZBOCLSA-N 0 0 186.295 2.210 10 0 AEAERN CC[C@H](C(O)O)C1CCCCCC1 214092082 571714760 /nfs/dbraw/zinc/71/47/60/571714760.db2.gz AAVNOQNCDBJRKI-JTQLQIEISA-N 0 0 186.295 2.294 10 0 AEAERN CC[C@H](CCCO)[C@H]1CCCCO1 214090124 571714769 /nfs/dbraw/zinc/71/47/69/571714769.db2.gz WBRMVEGABDEWHG-GHMZBOCLSA-N 0 0 186.295 2.354 10 0 AEAERN CC(C)[C@H](CCCO)[C@@H]1CCCO1 214090229 571714831 /nfs/dbraw/zinc/71/48/31/571714831.db2.gz HRIOQBMXSJPRNG-QWRGUYRKSA-N 0 0 186.295 2.210 10 0 AEAERN OCCC[C@@H](C1CC1)[C@H]1CCS1 214094234 571714854 /nfs/dbraw/zinc/71/48/54/571714854.db2.gz OAGFMSSRLLDNCD-VHSXEESVSA-N 0 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/nfs/dbraw/zinc/71/53/58/571715358.db2.gz BVSUBIUJBDJWMY-WDEREUQCSA-N 0 0 186.295 2.210 10 0 AEAERN OCC[C@@H](C1CCC1)[C@H]1CCS1 214093979 571715365 /nfs/dbraw/zinc/71/53/65/571715365.db2.gz DLDSTCLIOMGWER-VHSXEESVSA-N 0 0 186.320 2.291 10 0 AEAERN CC(C)[C@@H](CCO)[C@@H]1CCCCO1 214089744 571715366 /nfs/dbraw/zinc/71/53/66/571715366.db2.gz JMUZTJXDISJGAL-MNOVXSKESA-N 0 0 186.295 2.210 10 0 AEAERN OCCC[C@H](C1CC1)[C@H]1CCS1 214094176 571715369 /nfs/dbraw/zinc/71/53/69/571715369.db2.gz OAGFMSSRLLDNCD-NXEZZACHSA-N 0 0 186.320 2.291 10 0 AEAERN O[C@@H](C1CCCCC1)[C@@H]1CCS1 214093294 571715426 /nfs/dbraw/zinc/71/54/26/571715426.db2.gz FJZURNSAGUEQRF-UWVGGRQHSA-N 0 0 186.320 2.433 10 0 AEAERN CC(C)[C@H](CCCO)[C@@H]1CCOC1 214091909 571715435 /nfs/dbraw/zinc/71/54/35/571715435.db2.gz FZCWJWRIMOCHEM-MNOVXSKESA-N 0 0 186.295 2.068 10 0 AEAERN OC[C@@H](C1CC1)[C@H]1CCCCS1 214092629 571715476 /nfs/dbraw/zinc/71/54/76/571715476.db2.gz AJBSCDGMYGBXFQ-VHSXEESVSA-N 0 0 186.320 2.291 10 0 AEAERN 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/nfs/dbraw/zinc/71/57/23/571715723.db2.gz VKVPPFSJMBEIQC-WCBMZHEXSA-N 0 0 186.320 2.291 10 0 AEAERN CC(C)[C@H](CCO)[C@H]1CCCOC1 214091536 571715758 /nfs/dbraw/zinc/71/57/58/571715758.db2.gz MACNMPSFMCPXLE-QWRGUYRKSA-N 0 0 186.295 2.068 10 0 AEAERN COc1ccc(NCCC(C)=O)cc1 137449258 571715772 /nfs/dbraw/zinc/71/57/72/571715772.db2.gz NEOIJRCZYRUCQD-UHFFFAOYSA-N 0 0 193.246 2.086 10 0 AEAERN CC(C)[C@@H](CCO)[C@@H]1CCCOC1 214091372 571715775 /nfs/dbraw/zinc/71/57/75/571715775.db2.gz MACNMPSFMCPXLE-GHMZBOCLSA-N 0 0 186.295 2.068 10 0 AEAERN CC[C@@H](CCO)[C@H]1CCCOCC1 214090726 571715782 /nfs/dbraw/zinc/71/57/82/571715782.db2.gz XVFUCCPGLGGVDM-QWRGUYRKSA-N 0 0 186.295 2.212 10 0 AEAERN OC[C@@H](C1CC1)[C@@H]1CCCSC1 214094492 571715794 /nfs/dbraw/zinc/71/57/94/571715794.db2.gz TZDWIHHWPUAANJ-ZJUUUORDSA-N 0 0 186.320 2.148 10 0 AEAERN O[C@@H](C1CC1)[C@@H]1CCCCCS1 214092490 571715803 /nfs/dbraw/zinc/71/58/03/571715803.db2.gz IEFPUAAMFDWZIJ-UWVGGRQHSA-N 0 0 186.320 2.433 10 0 AEAERN 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/nfs/dbraw/zinc/71/79/88/571717988.db2.gz PHUKPGTYZPEISU-ZJUUUORDSA-N 0 0 199.294 2.020 10 0 AEAERN CC[C@H]1CC[C@@H]([NH2+]CCCC(=O)[O-])C1 70643296 571718136 /nfs/dbraw/zinc/71/81/36/571718136.db2.gz PHUKPGTYZPEISU-VHSXEESVSA-N 0 0 199.294 2.020 10 0 AEAERN CONCc1ccc(C2CC2)cc1 134234646 571718147 /nfs/dbraw/zinc/71/81/47/571718147.db2.gz WJWLVFZVHFFZHH-UHFFFAOYSA-N 0 0 177.247 2.215 10 0 AEAERN CC(C)[C@@H](CO)[C@@H]1CCCSC1 214116958 571718234 /nfs/dbraw/zinc/71/82/34/571718234.db2.gz GOPTVBMCARCZAV-NXEZZACHSA-N 0 0 188.336 2.394 10 0 AEAERN CC(=O)c1cnn(CCC(C)(C)F)c1 214104042 571718467 /nfs/dbraw/zinc/71/84/67/571718467.db2.gz XYCBJDQCDFPDRL-UHFFFAOYSA-N 0 0 198.241 2.224 10 0 AEAERN C[C@@H]1CCC[C@H](C(=O)CCCO)C1 235277367 571718249 /nfs/dbraw/zinc/71/82/49/571718249.db2.gz GZJSXHHNWDTGHQ-ZJUUUORDSA-N 0 0 184.279 2.154 10 0 AEAERN CC(C)[C@@H](CCO)[C@H]1CCSC1 214117841 571718275 /nfs/dbraw/zinc/71/82/75/571718275.db2.gz HVUBYSMWIJGOSB-VHSXEESVSA-N 0 0 188.336 2.394 10 0 AEAERN 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/nfs/dbraw/zinc/72/02/69/571720269.db2.gz CNQKFXQOJLPJJR-LURJTMIESA-N 0 0 198.649 2.156 10 0 AEAERN CC(=O)Cc1cc(C)c(O)c(Cl)c1 214131680 571720278 /nfs/dbraw/zinc/72/02/78/571720278.db2.gz KOVQLIRRVOQVQK-UHFFFAOYSA-N 0 0 198.649 2.486 10 0 AEAERN CCc1nc(C)nc(Cl)c1C(C)=O 214135311 571720380 /nfs/dbraw/zinc/72/03/80/571720380.db2.gz BPNITVHGUAAFQZ-UHFFFAOYSA-N 0 0 198.653 2.203 10 0 AEAERN C=CCCC(=O)OCCC(=C)C 388455881 571720505 /nfs/dbraw/zinc/72/05/05/571720505.db2.gz CXRLPJKRFOABJR-UHFFFAOYSA-N 0 0 168.236 2.462 10 0 AEAERN C[C@@H](O)c1cc(Cl)c2c(c1)CCO2 214134340 571720898 /nfs/dbraw/zinc/72/08/98/571720898.db2.gz FDFWAPFCDQAJEL-ZCFIWIBFSA-N 0 0 198.649 2.328 10 0 AEAERN C[C@@H]1CC(=O)N[C@@H](c2ccccc2)C1 23508928 571720984 /nfs/dbraw/zinc/72/09/84/571720984.db2.gz QBISFPIBDMWLTN-GXSJLCMTSA-N 0 0 189.258 2.274 10 0 AEAERN CC(=O)c1c(Cl)ncnc1C(C)C 214135392 571720993 /nfs/dbraw/zinc/72/09/93/571720993.db2.gz BRDUKMMUFWAVNR-UHFFFAOYSA-N 0 0 198.653 2.456 10 0 AEAERN 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/nfs/dbraw/zinc/72/22/22/571722222.db2.gz QMLPRBHKAYXHPY-UHFFFAOYSA-N 0 0 199.213 2.018 10 0 AEAERN Cn1nc(C2CCC2)c(Cl)c1C=O 214136500 571722224 /nfs/dbraw/zinc/72/22/24/571722224.db2.gz HLUSGQSOFXAMLT-UHFFFAOYSA-N 0 0 198.653 2.154 10 0 AEAERN CCC[C@H](OC)[C@@H](NCC)C(F)F 393395507 571722435 /nfs/dbraw/zinc/72/24/35/571722435.db2.gz TZGGNIKUHWXWNY-JGVFFNPUSA-N 0 0 195.253 2.045 10 0 AEAERN CCCc1nc(Cl)sc1N 214140149 571722507 /nfs/dbraw/zinc/72/25/07/571722507.db2.gz MGCQSEPKYHUJAV-UHFFFAOYSA-N 0 0 176.672 2.331 10 0 AEAERN Cc1nnc(-c2ccc(C)c(O)c2)o1 116707099 571722758 /nfs/dbraw/zinc/72/27/58/571722758.db2.gz IDWLGHASUQALQM-UHFFFAOYSA-N 0 0 190.202 2.059 10 0 AEAERN CCNc1ccnc([C@H](C)OCC)n1 70649390 571723011 /nfs/dbraw/zinc/72/30/11/571723011.db2.gz JTSRMBMUCWLIHZ-QMMMGPOBSA-N 0 0 195.266 2.006 10 0 AEAERN CCC[C@@H](OC)[C@@H](NCC)C(F)F 393395495 571723301 /nfs/dbraw/zinc/72/33/01/571723301.db2.gz TZGGNIKUHWXWNY-HTQZYQBOSA-N 0 0 195.253 2.045 10 0 AEAERN Cn1nc(C=O)c(Cl)c1C1CCC1 214136440 571723825 /nfs/dbraw/zinc/72/38/25/571723825.db2.gz SIJYYDAFWAELIR-UHFFFAOYSA-N 0 0 198.653 2.154 10 0 AEAERN CCNc1ccnc([C@@H](C)OCC)n1 70649389 571723844 /nfs/dbraw/zinc/72/38/44/571723844.db2.gz JTSRMBMUCWLIHZ-MRVPVSSYSA-N 0 0 195.266 2.006 10 0 AEAERN CC(=O)c1c(Cl)nc2n1CCCC2 214135568 571723864 /nfs/dbraw/zinc/72/38/64/571723864.db2.gz DDBHPZJCJFWJQQ-UHFFFAOYSA-N 0 0 198.653 2.075 10 0 AEAERN COC(=O)C1(c2ccc(C)s2)CC1 139844258 571724149 /nfs/dbraw/zinc/72/41/49/571724149.db2.gz HQQLNUCYPTWRMJ-UHFFFAOYSA-N 0 0 196.271 2.261 10 0 AEAERN COc1c(C)c(C)c(OC)c(O)c1C 116730780 571724384 /nfs/dbraw/zinc/72/43/84/571724384.db2.gz MYSRFGPZGGLNDD-UHFFFAOYSA-N 0 0 196.246 2.335 10 0 AEAERN Cc1cc2nc(N)ccc2s1 710801925 571724496 /nfs/dbraw/zinc/72/44/96/571724496.db2.gz DWXZQLBTVIMFBD-UHFFFAOYSA-N 0 0 164.233 2.187 10 0 AEAERN CC[C@@](O)(COC)c1ccccc1F 70657208 571724547 /nfs/dbraw/zinc/72/45/47/571724547.db2.gz FNRDFHFYLAXJCM-LLVKDONJSA-N 0 0 198.237 2.070 10 0 AEAERN CC[C@](O)(COC)c1ccccc1F 70657209 571724641 /nfs/dbraw/zinc/72/46/41/571724641.db2.gz FNRDFHFYLAXJCM-NSHDSACASA-N 0 0 198.237 2.070 10 0 AEAERN CC[C@H]1CCC[C@H](OC[C@@H](C)O)C1 70652059 571724868 /nfs/dbraw/zinc/72/48/68/571724868.db2.gz FSYCLBNNDILLRB-VWYCJHECSA-N 0 0 186.295 2.353 10 0 AEAERN CC[C@](O)(COC)c1cccc(F)c1 70657413 571724946 /nfs/dbraw/zinc/72/49/46/571724946.db2.gz XWAWHOJDFHPNTO-NSHDSACASA-N 0 0 198.237 2.070 10 0 AEAERN CC[C@@H]1CCC[C@@H](OC[C@@H](C)O)C1 70652060 571724887 /nfs/dbraw/zinc/72/48/87/571724887.db2.gz FSYCLBNNDILLRB-GMTAPVOTSA-N 0 0 186.295 2.353 10 0 AEAERN C/C=C1/CCCCC[C@H]1O 23705652 571724915 /nfs/dbraw/zinc/72/49/15/571724915.db2.gz AFPGFRDDTAANKM-GNJCPQTGSA-N 0 0 140.226 2.258 10 0 AEAERN CC[C@](O)(COC)c1ccc(C)cc1 70657299 571724938 /nfs/dbraw/zinc/72/49/38/571724938.db2.gz HFBPIFOUEFAUKC-LBPRGKRZSA-N 0 0 194.274 2.239 10 0 AEAERN CC[C@@H]1CC=CCCC1=O 23720258 571725009 /nfs/dbraw/zinc/72/50/09/571725009.db2.gz FLIFEJSHLDEYSH-MRVPVSSYSA-N 0 0 138.210 2.322 10 0 AEAERN CCC[C@@H](COC)Nc1ccccn1 70658879 571725011 /nfs/dbraw/zinc/72/50/11/571725011.db2.gz HYRCTXSXAYLLRJ-JTQLQIEISA-N 0 0 194.278 2.309 10 0 AEAERN CC[C@H]1CC=CCCC1=O 23720259 571725020 /nfs/dbraw/zinc/72/50/20/571725020.db2.gz FLIFEJSHLDEYSH-QMMMGPOBSA-N 0 0 138.210 2.322 10 0 AEAERN CC[C@](O)(COC)c1ccc(F)cc1 70657385 571725044 /nfs/dbraw/zinc/72/50/44/571725044.db2.gz NBXMTVUSHHYKDW-NSHDSACASA-N 0 0 198.237 2.070 10 0 AEAERN CCC[C@@H](COC)n1cccc1C=O 70659029 571726191 /nfs/dbraw/zinc/72/61/91/571726191.db2.gz CZBPLRMJRHXXPP-NSHDSACASA-N 0 0 195.262 2.288 10 0 AEAERN CC[C@@H]1CCC[C@H](OC[C@@H](C)O)C1 70652058 571726193 /nfs/dbraw/zinc/72/61/93/571726193.db2.gz FSYCLBNNDILLRB-MXWKQRLJSA-N 0 0 186.295 2.353 10 0 AEAERN CC[C@@](O)(COC)c1ccccc1C 70657386 571725430 /nfs/dbraw/zinc/72/54/30/571725430.db2.gz IHZJZHDWVZZWLM-GFCCVEGCSA-N 0 0 194.274 2.239 10 0 AEAERN CCc1cc(C)ccc1C(=O)N(C)C 139720274 571725431 /nfs/dbraw/zinc/72/54/31/571725431.db2.gz UYELNXCAZWIFRV-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/72/59/88/571725988.db2.gz HPKHOIQFZPZVSX-GFCCVEGCSA-N 0 0 194.274 2.017 10 0 AEAERN CCNc1ccc(Cl)nc1C 116749423 571726058 /nfs/dbraw/zinc/72/60/58/571726058.db2.gz MLGXFHXILWAALQ-UHFFFAOYSA-N 0 0 170.643 2.475 10 0 AEAERN CCC[C@H](COC)n1cccc1 70659050 571726059 /nfs/dbraw/zinc/72/60/59/571726059.db2.gz DHIVCSKUAKNLRF-SNVBAGLBSA-N 0 0 167.252 2.476 10 0 AEAERN C[C@@H](O)C(C)(C)C(=O)c1ccccc1 116757050 571726180 /nfs/dbraw/zinc/72/61/80/571726180.db2.gz PKPITIVXTVOBAI-SECBINFHSA-N 0 0 192.258 2.276 10 0 AEAERN CCC[C@@H](COC)n1cccc1 70659049 571726312 /nfs/dbraw/zinc/72/63/12/571726312.db2.gz DHIVCSKUAKNLRF-JTQLQIEISA-N 0 0 167.252 2.476 10 0 AEAERN COC[C@H](C)C(=O)Cc1cccs1 69904433 571726315 /nfs/dbraw/zinc/72/63/15/571726315.db2.gz HJIGIHXRPUYCFU-QMMMGPOBSA-N 0 0 198.287 2.142 10 0 AEAERN CC[C@@H](COC)n1cc[nH]c1=S 70658911 571726371 /nfs/dbraw/zinc/72/63/71/571726371.db2.gz SDAXLWZIXXGUKB-ZETCQYMHSA-N 0 0 186.280 2.143 10 0 AEAERN COC[C@@H](C)C(=O)c1cccc(F)c1 69904283 571726433 /nfs/dbraw/zinc/72/64/33/571726433.db2.gz GQVWQAYBDVNXSL-MRVPVSSYSA-N 0 0 196.221 2.291 10 0 AEAERN COc1c(C)cc(SC)c(O)c1N 214180608 571727009 /nfs/dbraw/zinc/72/70/09/571727009.db2.gz SDDZLGHACYFJHR-UHFFFAOYSA-N 0 0 199.275 2.013 10 0 AEAERN COC[C@H](C)C(=O)c1ccc(F)cc1 69904278 571726644 /nfs/dbraw/zinc/72/66/44/571726644.db2.gz BZRIKUNNDNCWMI-QMMMGPOBSA-N 0 0 196.221 2.291 10 0 AEAERN COC[C@H](C)C(=O)C1CCCC1 69904364 571726670 /nfs/dbraw/zinc/72/66/70/571726670.db2.gz RRYHUGGBBMQGHT-QMMMGPOBSA-N 0 0 170.252 2.028 10 0 AEAERN COC[C@H](C)C(=O)c1cccs1 69904287 571726678 /nfs/dbraw/zinc/72/66/78/571726678.db2.gz CFLJIYQIIOBMFJ-ZETCQYMHSA-N 0 0 184.260 2.213 10 0 AEAERN O=C[C@@H]1C[C@@H]2CCCC[C@@H]21 24140951 571726682 /nfs/dbraw/zinc/72/66/82/571726682.db2.gz WADSEFCMBHVXCE-CIUDSAMLSA-N 0 0 138.210 2.012 10 0 AEAERN COC[C@@H](C)C(=O)c1ccc(F)cc1 69904279 571726687 /nfs/dbraw/zinc/72/66/87/571726687.db2.gz BZRIKUNNDNCWMI-MRVPVSSYSA-N 0 0 196.221 2.291 10 0 AEAERN COC[C@@H](C)C(=O)CC(C)(C)C 69904515 571726714 /nfs/dbraw/zinc/72/67/14/571726714.db2.gz QISODELOMVZNBX-MRVPVSSYSA-N 0 0 172.268 2.274 10 0 AEAERN COC[C@H](C)C(=O)c1cccc(C)c1 69904346 571726718 /nfs/dbraw/zinc/72/67/18/571726718.db2.gz GEGRLUCJJZMNFL-JTQLQIEISA-N 0 0 192.258 2.460 10 0 AEAERN COC[C@@H](C)C(=O)c1ccccc1F 69904486 571726726 /nfs/dbraw/zinc/72/67/26/571726726.db2.gz YOEHNMOSUQZIII-MRVPVSSYSA-N 0 0 196.221 2.291 10 0 AEAERN Cn1cnc(-c2cccc3c2NCC3)c1 712252338 571726796 /nfs/dbraw/zinc/72/67/96/571726796.db2.gz UBWRUPCRMILBBO-UHFFFAOYSA-N 0 0 199.257 2.055 10 0 AEAERN COC[C@@H](C)C(=O)c1cccs1 69904289 571726897 /nfs/dbraw/zinc/72/68/97/571726897.db2.gz CFLJIYQIIOBMFJ-SSDOTTSWSA-N 0 0 184.260 2.213 10 0 AEAERN COC[C@@H](C)C(=O)c1ccccc1C 69904345 571726972 /nfs/dbraw/zinc/72/69/72/571726972.db2.gz OKLVUBBUBOUISS-SNVBAGLBSA-N 0 0 192.258 2.460 10 0 AEAERN CCc1ccc([C@@H](O)[C@H](C)COC)o1 69903846 571726998 /nfs/dbraw/zinc/72/69/98/571726998.db2.gz NWAXDVMOBQHAGV-KCJUWKMLSA-N 0 0 198.262 2.158 10 0 AEAERN COC[C@@H](C)C(=O)Cc1ccccc1 69904301 571727354 /nfs/dbraw/zinc/72/73/54/571727354.db2.gz RTRVQRUFAXAYRE-SNVBAGLBSA-N 0 0 192.258 2.081 10 0 AEAERN COC[C@H](C)C(=O)CC(C)(C)C 69904514 571727385 /nfs/dbraw/zinc/72/73/85/571727385.db2.gz QISODELOMVZNBX-QMMMGPOBSA-N 0 0 172.268 2.274 10 0 AEAERN C1=C2CCOC[C@@H]2CCC1 24186249 571727480 /nfs/dbraw/zinc/72/74/80/571727480.db2.gz SBPAEIDVMQYLQB-VIFPVBQESA-N 0 0 138.210 2.133 10 0 AEAERN CCc1ccc([C@H](O)[C@@H](C)COC)o1 69903843 571729013 /nfs/dbraw/zinc/72/90/13/571729013.db2.gz NWAXDVMOBQHAGV-GZMMTYOYSA-N 0 0 198.262 2.158 10 0 AEAERN COC[C@H](C)C(=O)c1ccccc1C 69904344 571727599 /nfs/dbraw/zinc/72/75/99/571727599.db2.gz OKLVUBBUBOUISS-JTQLQIEISA-N 0 0 192.258 2.460 10 0 AEAERN COC[C@@H](C)C(=O)c1ccsc1 69904315 571727624 /nfs/dbraw/zinc/72/76/24/571727624.db2.gz XDXMMCWFQPOJKE-SSDOTTSWSA-N 0 0 184.260 2.213 10 0 AEAERN C1=C2CCCC[C@H]2COC1 24186202 571727702 /nfs/dbraw/zinc/72/77/02/571727702.db2.gz CJEBORODUVWIDK-VIFPVBQESA-N 0 0 138.210 2.133 10 0 AEAERN C1=C2CCCC[C@@H]2COC1 24186204 571727708 /nfs/dbraw/zinc/72/77/08/571727708.db2.gz CJEBORODUVWIDK-SECBINFHSA-N 0 0 138.210 2.133 10 0 AEAERN Cc1cc(Cl)c(CNO)s1 214171326 571727814 /nfs/dbraw/zinc/72/78/14/571727814.db2.gz HQEDXZOCWLAMKY-UHFFFAOYSA-N 0 0 177.656 2.189 10 0 AEAERN c1cc2c(c(-c3cncnc3)c1)NCC2 712252339 571727824 /nfs/dbraw/zinc/72/78/24/571727824.db2.gz UDTHCAOQODOEOY-UHFFFAOYSA-N 0 0 197.241 2.112 10 0 AEAERN CCC[C@@H](CO)Nc1ccc(F)cc1 38114232 571727874 /nfs/dbraw/zinc/72/78/74/571727874.db2.gz IPSGFRTVXNXQPC-NSHDSACASA-N 0 0 197.253 2.399 10 0 AEAERN C1=C2COCC[C@H]2CCC1 24186222 571727896 /nfs/dbraw/zinc/72/78/96/571727896.db2.gz JEPDICWJMSZJHG-MRVPVSSYSA-N 0 0 138.210 2.133 10 0 AEAERN CCC(C)(C)C[C@@H](C)CO 140201152 571728079 /nfs/dbraw/zinc/72/80/79/571728079.db2.gz BVLCBFFLJLEBAA-MRVPVSSYSA-N 0 0 144.258 2.441 10 0 AEAERN COC[C@H](C)C(=O)c1ccccc1F 69904485 571728156 /nfs/dbraw/zinc/72/81/56/571728156.db2.gz YOEHNMOSUQZIII-QMMMGPOBSA-N 0 0 196.221 2.291 10 0 AEAERN CC(C)(C)OC(=O)N1NC12CCCC2 687718522 571728188 /nfs/dbraw/zinc/72/81/88/571728188.db2.gz IGCBSPLPTUQLPH-UHFFFAOYSA-N 0 0 198.266 2.012 10 0 AEAERN CCc1ccc([C@@H](O)[C@@H](C)COC)o1 69903844 571728201 /nfs/dbraw/zinc/72/82/01/571728201.db2.gz NWAXDVMOBQHAGV-KWQFWETISA-N 0 0 198.262 2.158 10 0 AEAERN COC[C@@H](C)C(=O)c1ccc(C)cc1 69904295 571728213 /nfs/dbraw/zinc/72/82/13/571728213.db2.gz UUVBHJAVEBCLOQ-SNVBAGLBSA-N 0 0 192.258 2.460 10 0 AEAERN c1cc2c(c(-c3cnccn3)c1)NCC2 712251101 571728259 /nfs/dbraw/zinc/72/82/59/571728259.db2.gz HSCYQOWOPCIAGZ-UHFFFAOYSA-N 0 0 197.241 2.112 10 0 AEAERN COC[C@H](C)C(=O)c1ccsc1 69904313 571728288 /nfs/dbraw/zinc/72/82/88/571728288.db2.gz XDXMMCWFQPOJKE-ZETCQYMHSA-N 0 0 184.260 2.213 10 0 AEAERN COC[C@H](C)C(=O)CCC(C)C 69904393 571728234 /nfs/dbraw/zinc/72/82/34/571728234.db2.gz AMRZCGPZWQDDBV-VIFPVBQESA-N 0 0 172.268 2.274 10 0 AEAERN COC[C@H](C)C(=O)c1cccc(F)c1 69904281 571728327 /nfs/dbraw/zinc/72/83/27/571728327.db2.gz GQVWQAYBDVNXSL-QMMMGPOBSA-N 0 0 196.221 2.291 10 0 AEAERN CCC[C@H](C)O[C@@H](C)[C@@H](O)CC 687798745 571731140 /nfs/dbraw/zinc/73/11/40/571731140.db2.gz SKJNMZBIYQAIJU-GUBZILKMSA-N 0 0 174.284 2.351 10 0 AEAERN C1=C2CCOC[C@H]2CCC1 24186251 571728566 /nfs/dbraw/zinc/72/85/66/571728566.db2.gz SBPAEIDVMQYLQB-SECBINFHSA-N 0 0 138.210 2.133 10 0 AEAERN CCc1ccc([C@H](O)[C@H](C)COC)o1 69903845 571728599 /nfs/dbraw/zinc/72/85/99/571728599.db2.gz NWAXDVMOBQHAGV-LDYMZIIASA-N 0 0 198.262 2.158 10 0 AEAERN C1=C2COCC[C@@H]2CCC1 24186220 571728682 /nfs/dbraw/zinc/72/86/82/571728682.db2.gz JEPDICWJMSZJHG-QMMMGPOBSA-N 0 0 138.210 2.133 10 0 AEAERN COC[C@@H](C)C(=O)C1CCCC1 69904365 571728686 /nfs/dbraw/zinc/72/86/86/571728686.db2.gz RRYHUGGBBMQGHT-MRVPVSSYSA-N 0 0 170.252 2.028 10 0 AEAERN COc1cc(C)c(SC)c(N)c1O 214180691 571728706 /nfs/dbraw/zinc/72/87/06/571728706.db2.gz NNJJWQNBODUJFT-UHFFFAOYSA-N 0 0 199.275 2.013 10 0 AEAERN COC[C@@H](C)C(=O)C1CCCCC1 69904351 571728786 /nfs/dbraw/zinc/72/87/86/571728786.db2.gz OWUZHMHSKUJTDX-SECBINFHSA-N 0 0 184.279 2.418 10 0 AEAERN COC[C@H](C)C(=O)c1ccc(C)cc1 69904293 571728845 /nfs/dbraw/zinc/72/88/45/571728845.db2.gz UUVBHJAVEBCLOQ-JTQLQIEISA-N 0 0 192.258 2.460 10 0 AEAERN COC[C@@H](C)C(=O)c1cccc(C)c1 69904347 571728995 /nfs/dbraw/zinc/72/89/95/571728995.db2.gz GEGRLUCJJZMNFL-SNVBAGLBSA-N 0 0 192.258 2.460 10 0 AEAERN COC[C@H](C)C(=O)C1CCCCC1 69904350 571729006 /nfs/dbraw/zinc/72/90/06/571729006.db2.gz OWUZHMHSKUJTDX-VIFPVBQESA-N 0 0 184.279 2.418 10 0 AEAERN COC[C@@H](C)C(=O)CCC(C)C 69904394 571729085 /nfs/dbraw/zinc/72/90/85/571729085.db2.gz AMRZCGPZWQDDBV-SECBINFHSA-N 0 0 172.268 2.274 10 0 AEAERN CCSc1ncccc1[C@H](C)O 233825701 571729305 /nfs/dbraw/zinc/72/93/05/571729305.db2.gz HRWRVWIUNXIKPA-ZETCQYMHSA-N 0 0 183.276 2.247 10 0 AEAERN CCC[C@H](O)[C@H](CC)n1ccc(C)n1 70686207 571729421 /nfs/dbraw/zinc/72/94/21/571729421.db2.gz CNEOZMDMUJPKCQ-QWRGUYRKSA-N 0 0 196.294 2.304 10 0 AEAERN Cc1ccn(CCOCCC(C)C)n1 70688038 571729430 /nfs/dbraw/zinc/72/94/30/571729430.db2.gz AMSUHGZVNYVRHH-UHFFFAOYSA-N 0 0 196.294 2.254 10 0 AEAERN CCC[C@H](C)O[C@H](C)[C@@H](O)CC 687798738 571729480 /nfs/dbraw/zinc/72/94/80/571729480.db2.gz SKJNMZBIYQAIJU-AEJSXWLSSA-N 0 0 174.284 2.351 10 0 AEAERN CCSc1ncccc1[C@@H](C)O 233825681 571729215 /nfs/dbraw/zinc/72/92/15/571729215.db2.gz HRWRVWIUNXIKPA-SSDOTTSWSA-N 0 0 183.276 2.247 10 0 AEAERN COC[C@@H](C)C(=O)Cc1cccs1 69904435 571729227 /nfs/dbraw/zinc/72/92/27/571729227.db2.gz HJIGIHXRPUYCFU-MRVPVSSYSA-N 0 0 198.287 2.142 10 0 AEAERN CCC[C@@H](O)[C@@H](CC)n1ccc(C)n1 70686205 571729230 /nfs/dbraw/zinc/72/92/30/571729230.db2.gz CNEOZMDMUJPKCQ-GHMZBOCLSA-N 0 0 196.294 2.304 10 0 AEAERN CC(C)(C)[N@@H+]1CCC[C@H]1CCC(=O)[O-] 214185358 571729618 /nfs/dbraw/zinc/72/96/18/571729618.db2.gz NYUTXGXALVPREZ-VIFPVBQESA-N 0 0 199.294 2.114 10 0 AEAERN Cn1c(=S)[nH]c2ccc(Cl)nc21 214200479 571729818 /nfs/dbraw/zinc/72/98/18/571729818.db2.gz YVCHTUSQCHPFSH-UHFFFAOYSA-N 0 0 199.666 2.284 10 0 AEAERN CCCCOCCn1nccc1C 70688409 571729908 /nfs/dbraw/zinc/72/99/08/571729908.db2.gz HRQKLMOGOGVAMT-UHFFFAOYSA-N 0 0 182.267 2.008 10 0 AEAERN CC(=O)Cc1cc(C)c(O)cc1C 214184981 571729951 /nfs/dbraw/zinc/72/99/51/571729951.db2.gz YLJMQGFEILEPPP-UHFFFAOYSA-N 0 0 178.231 2.141 10 0 AEAERN Nc1nc2c(N)cc(Cl)cc2s1 214200632 571730014 /nfs/dbraw/zinc/73/00/14/571730014.db2.gz GFJLUXCPZFLTKZ-UHFFFAOYSA-N 0 0 199.666 2.114 10 0 AEAERN COc1c(Cl)cnc(C(C)=O)c1C 214196234 571730075 /nfs/dbraw/zinc/73/00/75/571730075.db2.gz JPBSNZAGNIHOBR-UHFFFAOYSA-N 0 0 199.637 2.255 10 0 AEAERN CCCCC[C@H]1NC(=O)N[C@@H]1CC 214183908 571730177 /nfs/dbraw/zinc/73/01/77/571730177.db2.gz DNCWSLNTAZYDBV-RKDXNWHRSA-N 0 0 184.283 2.027 10 0 AEAERN Cc1ccnn1CCOCCC(C)C 70688372 571730211 /nfs/dbraw/zinc/73/02/11/571730211.db2.gz RVTSQCOMGOBJBC-UHFFFAOYSA-N 0 0 196.294 2.254 10 0 AEAERN Cc1oc2c(c1C1(O)CC1)CCC2 214184690 571730292 /nfs/dbraw/zinc/73/02/92/571730292.db2.gz XSGNAZZDXUUPTL-UHFFFAOYSA-N 0 0 178.231 2.058 10 0 AEAERN CCC[C@H](O)[C@@H](CC)n1ccc(C)n1 70686201 571730348 /nfs/dbraw/zinc/73/03/48/571730348.db2.gz CNEOZMDMUJPKCQ-MNOVXSKESA-N 0 0 196.294 2.304 10 0 AEAERN CC[N@@H+]1CCCCC[C@@H]1CCC(=O)[O-] 214185858 571730403 /nfs/dbraw/zinc/73/04/03/571730403.db2.gz SRUBVKJMTASARB-SNVBAGLBSA-N 0 0 199.294 2.116 10 0 AEAERN CC(C)(C)[N@@H+]1CCC[C@@H]1CCC(=O)[O-] 214185299 571730408 /nfs/dbraw/zinc/73/04/08/571730408.db2.gz NYUTXGXALVPREZ-SECBINFHSA-N 0 0 199.294 2.114 10 0 AEAERN COc1cc(Cl)c2c(c1)NCCO2 214194604 571730468 /nfs/dbraw/zinc/73/04/68/571730468.db2.gz BTYRRFIQBATTSV-UHFFFAOYSA-N 0 0 199.637 2.153 10 0 AEAERN CCC[C@@H](O)[C@H](CC)n1ccc(C)n1 70686209 571730492 /nfs/dbraw/zinc/73/04/92/571730492.db2.gz CNEOZMDMUJPKCQ-WDEREUQCSA-N 0 0 196.294 2.304 10 0 AEAERN Cn1c(=S)[nH]c2c(Cl)ccnc21 214200314 571730755 /nfs/dbraw/zinc/73/07/55/571730755.db2.gz JUKRHKUPKHGTPG-UHFFFAOYSA-N 0 0 199.666 2.284 10 0 AEAERN CC[C@@H](C)CNc1cc(C)cnn1 233834351 571730820 /nfs/dbraw/zinc/73/08/20/571730820.db2.gz SKXFCJSHHMVAIM-MRVPVSSYSA-N 0 0 179.267 2.243 10 0 AEAERN CC[C@H]1C[C@H]1Nc1ncccc1OC 234138701 571730849 /nfs/dbraw/zinc/73/08/49/571730849.db2.gz MJKJKWIQMJXMFB-DTWKUNHWSA-N 0 0 192.262 2.301 10 0 AEAERN CCC[C@H](C)O[C@H](C)[C@H](O)CC 687798747 571731061 /nfs/dbraw/zinc/73/10/61/571731061.db2.gz SKJNMZBIYQAIJU-IVZWLZJFSA-N 0 0 174.284 2.351 10 0 AEAERN CCC[C@H](C)O[C@@H](C)[C@H](O)CC 687798749 571731239 /nfs/dbraw/zinc/73/12/39/571731239.db2.gz SKJNMZBIYQAIJU-LPEHRKFASA-N 0 0 174.284 2.351 10 0 AEAERN CCCONCCc1ccccc1 168640020 571731274 /nfs/dbraw/zinc/73/12/74/571731274.db2.gz WIVOYCFIWLHNNY-UHFFFAOYSA-N 0 0 179.263 2.160 10 0 AEAERN CCCCOCCn1ccc(C)n1 70688100 571731395 /nfs/dbraw/zinc/73/13/95/571731395.db2.gz RELURAVOXVFUOV-UHFFFAOYSA-N 0 0 182.267 2.008 10 0 AEAERN CSc1nc2c(Cl)ccnc2[nH]1 214200393 571731631 /nfs/dbraw/zinc/73/16/31/571731631.db2.gz LHQBWAVSZMVCED-UHFFFAOYSA-N 0 0 199.666 2.333 10 0 AEAERN CCCCC[C@H]1NC(=O)N[C@H]1CC 214183801 571731837 /nfs/dbraw/zinc/73/18/37/571731837.db2.gz DNCWSLNTAZYDBV-DTWKUNHWSA-N 0 0 184.283 2.027 10 0 AEAERN CC(=O)Cc1c(C)oc2c1CCC2 214185487 571731917 /nfs/dbraw/zinc/73/19/17/571731917.db2.gz NNDWKGAWVITFSK-UHFFFAOYSA-N 0 0 178.231 2.208 10 0 AEAERN CC[N@@H+]1CCCCC[C@H]1CCC(=O)[O-] 214185914 571731962 /nfs/dbraw/zinc/73/19/62/571731962.db2.gz SRUBVKJMTASARB-JTQLQIEISA-N 0 0 199.294 2.116 10 0 AEAERN CCCN(C)c1nc(C(C)=O)cs1 70849195 571732550 /nfs/dbraw/zinc/73/25/50/571732550.db2.gz DASCLXLMGULPGZ-UHFFFAOYSA-N 0 0 198.291 2.192 10 0 AEAERN CCC[C@H](O)[C@@H](CC)OC(C)C 687798869 571732644 /nfs/dbraw/zinc/73/26/44/571732644.db2.gz CQFGZKCGQPRZAN-VHSXEESVSA-N 0 0 174.284 2.351 10 0 AEAERN CCC[C@@H](O)[C@H](CC)OC(C)C 687798870 571732711 /nfs/dbraw/zinc/73/27/11/571732711.db2.gz CQFGZKCGQPRZAN-ZJUUUORDSA-N 0 0 174.284 2.351 10 0 AEAERN Fc1nccc(Oc2ccccc2)n1 140350643 571732721 /nfs/dbraw/zinc/73/27/21/571732721.db2.gz SAWVYBPMNPBRTK-UHFFFAOYSA-N 0 0 190.177 2.408 10 0 AEAERN C[C@H](CC(=O)[O-])[NH2+]C(C)(C)C1CCC1 398149295 571732932 /nfs/dbraw/zinc/73/29/32/571732932.db2.gz RPFSUJHNIQKYGH-MRVPVSSYSA-N 0 0 199.294 2.018 10 0 AEAERN CCC[C@@H](O)[C@@H](CC)OC(C)C 687798867 571732979 /nfs/dbraw/zinc/73/29/79/571732979.db2.gz CQFGZKCGQPRZAN-NXEZZACHSA-N 0 0 174.284 2.351 10 0 AEAERN Cc1cc(C)c(CN(C)O)c(C)c1 214220523 571733007 /nfs/dbraw/zinc/73/30/07/571733007.db2.gz NMLPGUSJXHBAQQ-UHFFFAOYSA-N 0 0 179.263 2.433 10 0 AEAERN COCN(C)c1cccc(C)c1 140448682 571733647 /nfs/dbraw/zinc/73/36/47/571733647.db2.gz XJVFYWIHHZYYBZ-UHFFFAOYSA-N 0 0 165.236 2.035 10 0 AEAERN Cn1ncc2c1CCC(C)(C)C2 725425698 571733695 /nfs/dbraw/zinc/73/36/95/571733695.db2.gz BBFFFTOATQKRCJ-UHFFFAOYSA-N 0 0 163.244 2.185 10 0 AEAERN O=C1CCCC[C@]1(O)c1ccccc1 140508256 571733772 /nfs/dbraw/zinc/73/37/72/571733772.db2.gz DCHOTFPTCDONQH-LBPRGKRZSA-N 0 0 190.242 2.017 10 0 AEAERN CCCOCc1nc(C(C)=O)cs1 70848453 571733779 /nfs/dbraw/zinc/73/37/79/571733779.db2.gz PDISQACDRWCJNR-UHFFFAOYSA-N 0 0 199.275 2.272 10 0 AEAERN CCC[C@H](O)[C@H](CC)OC(C)C 687798868 571733901 /nfs/dbraw/zinc/73/39/01/571733901.db2.gz CQFGZKCGQPRZAN-UWVGGRQHSA-N 0 0 174.284 2.351 10 0 AEAERN CC[C@@H](C)CNc1ncnc(C)c1F 233839390 571734445 /nfs/dbraw/zinc/73/44/45/571734445.db2.gz BOBMJOWHDBEHET-SSDOTTSWSA-N 0 0 197.257 2.382 10 0 AEAERN O=C1CCCC[C@@]1(O)c1ccccc1 140508074 571734590 /nfs/dbraw/zinc/73/45/90/571734590.db2.gz DCHOTFPTCDONQH-GFCCVEGCSA-N 0 0 190.242 2.017 10 0 AEAERN OCCC[C@H](C1CCC1)[C@H]1CCOC1 214236509 571735192 /nfs/dbraw/zinc/73/51/92/571735192.db2.gz YHFZGEIDZIMDBM-NWDGAFQWSA-N 0 0 198.306 2.212 10 0 AEAERN Nc1cccc([C@H]2CCSC2)c1 214227082 571735252 /nfs/dbraw/zinc/73/52/52/571735252.db2.gz SXVNRZJHOYXHSD-VIFPVBQESA-N 0 0 179.288 2.489 10 0 AEAERN OC/C=C1\C=Cc2ccccc21 214229930 571734945 /nfs/dbraw/zinc/73/49/45/571734945.db2.gz BRZZIEOWIZVOFW-JXMROGBWSA-N 0 0 158.200 2.089 10 0 AEAERN OCCC[C@@H](C1CCC1)[C@@H]1CCCO1 214233627 571735002 /nfs/dbraw/zinc/73/50/02/571735002.db2.gz REUQTTZNRYAJEM-RYUDHWBXSA-N 0 0 198.306 2.354 10 0 AEAERN OCC[C@H](C1CC1)[C@@H]1CCCOCC1 214234665 571735044 /nfs/dbraw/zinc/73/50/44/571735044.db2.gz FKSJRMDWXJUGPL-PWSUYJOCSA-N 0 0 198.306 2.212 10 0 AEAERN OC(O)[C@@H](C1CCCCC1)C1CCC1 214237333 571735063 /nfs/dbraw/zinc/73/50/63/571735063.db2.gz MSPOAQUXLBTDBD-NSHDSACASA-N 0 0 198.306 2.294 10 0 AEAERN OC[C@@H](C1CCCCC1)[C@H]1CCCO1 214233265 571735073 /nfs/dbraw/zinc/73/50/73/571735073.db2.gz RWQPOFUOUJOUMR-NWDGAFQWSA-N 0 0 198.306 2.354 10 0 AEAERN Cc1cccc2c1COC(=S)O2 214241511 571736355 /nfs/dbraw/zinc/73/63/55/571736355.db2.gz BCUVSJBMQGZCSD-UHFFFAOYSA-N 0 0 180.228 2.189 10 0 AEAERN OCCC[C@H](C1CCCC1)[C@H]1CCO1 214234161 571735125 /nfs/dbraw/zinc/73/51/25/571735125.db2.gz PIJWNDJLVOQJEG-VXGBXAGGSA-N 0 0 198.306 2.354 10 0 AEAERN OC[C@@H](C1CCCCC1)[C@H]1CCOC1 214236052 571735169 /nfs/dbraw/zinc/73/51/69/571735169.db2.gz KEIBZGKONADSOZ-RYUDHWBXSA-N 0 0 198.306 2.212 10 0 AEAERN OC[C@@H](C1CCCCC1)[C@@H]1CCCO1 214233162 571735180 /nfs/dbraw/zinc/73/51/80/571735180.db2.gz RWQPOFUOUJOUMR-RYUDHWBXSA-N 0 0 198.306 2.354 10 0 AEAERN OC[C@H](C1CCCC1)[C@H]1CCCOC1 214235245 571736362 /nfs/dbraw/zinc/73/63/62/571736362.db2.gz WUKKACHHLATCCX-NWDGAFQWSA-N 0 0 198.306 2.212 10 0 AEAERN OCC[C@H](C1CCC1)[C@@H]1CCCCO1 214232705 571735358 /nfs/dbraw/zinc/73/53/58/571735358.db2.gz UHMIJRYWUAKQST-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN OC[C@H](C1CCCCC1)[C@H]1CCOC1 214235994 571735382 /nfs/dbraw/zinc/73/53/82/571735382.db2.gz KEIBZGKONADSOZ-NWDGAFQWSA-N 0 0 198.306 2.212 10 0 AEAERN Nc1ccc([C@@H]2CCSC2)cc1 214226878 571735397 /nfs/dbraw/zinc/73/53/97/571735397.db2.gz UHFCGRZBTJBQQJ-SECBINFHSA-N 0 0 179.288 2.489 10 0 AEAERN O[C@H](C1CCCC1)[C@@H]1CCCCCO1 214231432 571735429 /nfs/dbraw/zinc/73/54/29/571735429.db2.gz RCPBVIYRMOATCG-NWDGAFQWSA-N 0 0 198.306 2.497 10 0 AEAERN OCC[C@H](C1CCCCC1)C1COC1 214236645 571736249 /nfs/dbraw/zinc/73/62/49/571736249.db2.gz LOUFHPFBJQFGEC-GFCCVEGCSA-N 0 0 198.306 2.212 10 0 AEAERN OCCC[C@H](C1CCCC1)[C@@H]1CCO1 214234058 571735450 /nfs/dbraw/zinc/73/54/50/571735450.db2.gz PIJWNDJLVOQJEG-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN OC[C@H](C1CCCC1)C1CCOCC1 214234743 571735274 /nfs/dbraw/zinc/73/52/74/571735274.db2.gz OHHZMHIBQSVFFM-GFCCVEGCSA-N 0 0 198.306 2.212 10 0 AEAERN O[C@@H](C1CCCC1)[C@H]1CCCOCC1 214237587 571735464 /nfs/dbraw/zinc/73/54/64/571735464.db2.gz NZNIPDWJFNWTMM-RYUDHWBXSA-N 0 0 198.306 2.354 10 0 AEAERN OCCC[C@@H](C1CCC1)[C@@H]1CCOC1 214236453 571735478 /nfs/dbraw/zinc/73/54/78/571735478.db2.gz YHFZGEIDZIMDBM-NEPJUHHUSA-N 0 0 198.306 2.212 10 0 AEAERN OC[C@H](C1CCC1)[C@@H]1CCCCCO1 214231798 571735490 /nfs/dbraw/zinc/73/54/90/571735490.db2.gz AFQWUDIWRRMPJC-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN OCC[C@H](C1CCCC1)[C@H]1CCOC1 214236263 571735504 /nfs/dbraw/zinc/73/55/04/571735504.db2.gz QDNVUFRLXYZQAO-NWDGAFQWSA-N 0 0 198.306 2.212 10 0 AEAERN OC[C@H](C1CCCC1)[C@@H]1CCCCO1 214232345 571735513 /nfs/dbraw/zinc/73/55/13/571735513.db2.gz XQEZHSWJKIFFAX-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN OCC[C@@H](C1CCCCC1)[C@H]1CCO1 214233979 571735534 /nfs/dbraw/zinc/73/55/34/571735534.db2.gz LFHZJTATBYFUEK-NWDGAFQWSA-N 0 0 198.306 2.354 10 0 AEAERN OCCC[C@H](C1CCC1)[C@@H]1CCOC1 214236405 571735538 /nfs/dbraw/zinc/73/55/38/571735538.db2.gz YHFZGEIDZIMDBM-VXGBXAGGSA-N 0 0 198.306 2.212 10 0 AEAERN OCCC[C@@H](C1CCC1)[C@H]1CCOC1 214236567 571735566 /nfs/dbraw/zinc/73/55/66/571735566.db2.gz YHFZGEIDZIMDBM-RYUDHWBXSA-N 0 0 198.306 2.212 10 0 AEAERN CC(C)ONCc1cc(C#N)cs1 393410668 571735593 /nfs/dbraw/zinc/73/55/93/571735593.db2.gz IZYILYUXICYSAK-UHFFFAOYSA-N 0 0 196.275 2.049 10 0 AEAERN OCC[C@@H](C1CCCCC1)[C@@H]1CCO1 214233867 571735628 /nfs/dbraw/zinc/73/56/28/571735628.db2.gz LFHZJTATBYFUEK-RYUDHWBXSA-N 0 0 198.306 2.354 10 0 AEAERN OC[C@H](C1CCCCC1)[C@@H]1CCCO1 214233103 571735656 /nfs/dbraw/zinc/73/56/56/571735656.db2.gz RWQPOFUOUJOUMR-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN OCCC[C@@H](C1CCOCC1)C1CC1 214235004 571735716 /nfs/dbraw/zinc/73/57/16/571735716.db2.gz YWSRPJLVMQASKN-GFCCVEGCSA-N 0 0 198.306 2.212 10 0 AEAERN OCC[C@@H](C1CCC1)[C@H]1CCCOC1 214235534 571735953 /nfs/dbraw/zinc/73/59/53/571735953.db2.gz FMPRFAPJSKOZRA-RYUDHWBXSA-N 0 0 198.306 2.212 10 0 AEAERN OC[C@H](C1CCCC1)[C@@H]1CCCOC1 214235147 571735727 /nfs/dbraw/zinc/73/57/27/571735727.db2.gz WUKKACHHLATCCX-VXGBXAGGSA-N 0 0 198.306 2.212 10 0 AEAERN OCC[C@H](C1CCC1)[C@H]1CCCOC1 214235479 571735731 /nfs/dbraw/zinc/73/57/31/571735731.db2.gz FMPRFAPJSKOZRA-NWDGAFQWSA-N 0 0 198.306 2.212 10 0 AEAERN OC[C@@H](C1CCCC1)C1CCOCC1 214234795 571735767 /nfs/dbraw/zinc/73/57/67/571735767.db2.gz OHHZMHIBQSVFFM-LBPRGKRZSA-N 0 0 198.306 2.212 10 0 AEAERN OC[C@@H](C1CCCC1)[C@@H]1CCCOC1 214235189 571735785 /nfs/dbraw/zinc/73/57/85/571735785.db2.gz WUKKACHHLATCCX-NEPJUHHUSA-N 0 0 198.306 2.212 10 0 AEAERN OCCC[C@H](C1CCCC1)C1COC1 214236783 571735807 /nfs/dbraw/zinc/73/58/07/571735807.db2.gz FKKLLNISVFKDDL-GFCCVEGCSA-N 0 0 198.306 2.212 10 0 AEAERN OC(O)[C@H](C1CCCCC1)C1CCC1 214237393 571735815 /nfs/dbraw/zinc/73/58/15/571735815.db2.gz MSPOAQUXLBTDBD-LLVKDONJSA-N 0 0 198.306 2.294 10 0 AEAERN CC[C@@H](C)CNc1cc(N)ns1 233834815 571735823 /nfs/dbraw/zinc/73/58/23/571735823.db2.gz LNWSZMRGVVBMEB-ZCFIWIBFSA-N 0 0 185.296 2.183 10 0 AEAERN Nc1ccc([C@H]2CCSC2)cc1 214226936 571735681 /nfs/dbraw/zinc/73/56/81/571735681.db2.gz UHFCGRZBTJBQQJ-VIFPVBQESA-N 0 0 179.288 2.489 10 0 AEAERN Cc1ccc2c(c1)COC(=S)O2 214241259 571735848 /nfs/dbraw/zinc/73/58/48/571735848.db2.gz QNDHQNOZUFICAR-UHFFFAOYSA-N 0 0 180.228 2.189 10 0 AEAERN OCC[C@H](C1CCCC1)[C@H]1CCCO1 214233447 571735854 /nfs/dbraw/zinc/73/58/54/571735854.db2.gz COHFUGJDSVIUKG-VXGBXAGGSA-N 0 0 198.306 2.354 10 0 AEAERN OC[C@@H](C1CCC1)[C@@H]1CCCOCC1 214234335 571735883 /nfs/dbraw/zinc/73/58/83/571735883.db2.gz VBDBJBCLHFLJQU-NEPJUHHUSA-N 0 0 198.306 2.212 10 0 AEAERN OCC[C@H](C1CC1)[C@@H]1CCCCCO1 214232041 571736328 /nfs/dbraw/zinc/73/63/28/571736328.db2.gz GNGGJRVPEGGPSB-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN OCC[C@@H](C1CCCC1)[C@H]1CCCO1 214233496 571735897 /nfs/dbraw/zinc/73/58/97/571735897.db2.gz COHFUGJDSVIUKG-NWDGAFQWSA-N 0 0 198.306 2.354 10 0 AEAERN Cc1ccc2c(c1)OC(=S)OC2 214241339 571735901 /nfs/dbraw/zinc/73/59/01/571735901.db2.gz ZQTLMRBGFUWLKU-UHFFFAOYSA-N 0 0 180.228 2.189 10 0 AEAERN OC(O)C(C1CCCC1)C1CCCC1 214237263 571735914 /nfs/dbraw/zinc/73/59/14/571735914.db2.gz LBLRQPNYFHCPGB-UHFFFAOYSA-N 0 0 198.306 2.294 10 0 AEAERN OCCC[C@@H](C1CC1)[C@@H]1CCCOC1 214235668 571735962 /nfs/dbraw/zinc/73/59/62/571735962.db2.gz YABZCUHVKBLRLA-NEPJUHHUSA-N 0 0 198.306 2.212 10 0 AEAERN OC[C@@H](C1CCCC1)[C@@H]1CCCCO1 214232398 571735963 /nfs/dbraw/zinc/73/59/63/571735963.db2.gz XQEZHSWJKIFFAX-RYUDHWBXSA-N 0 0 198.306 2.354 10 0 AEAERN O[C@H](C1CCCC1)[C@H]1CCCCCO1 214231376 571736331 /nfs/dbraw/zinc/73/63/31/571736331.db2.gz RCPBVIYRMOATCG-VXGBXAGGSA-N 0 0 198.306 2.497 10 0 AEAERN OC[C@@H](C1CCCCC1)[C@@H]1CCOC1 214235932 571736334 /nfs/dbraw/zinc/73/63/34/571736334.db2.gz KEIBZGKONADSOZ-NEPJUHHUSA-N 0 0 198.306 2.212 10 0 AEAERN OCC[C@@H](C1CCCC1)[C@@H]1CCCO1 214233394 571736092 /nfs/dbraw/zinc/73/60/92/571736092.db2.gz COHFUGJDSVIUKG-RYUDHWBXSA-N 0 0 198.306 2.354 10 0 AEAERN OCC[C@@H](C1CCC1)[C@H]1CCCCO1 214232651 571736145 /nfs/dbraw/zinc/73/61/45/571736145.db2.gz UHMIJRYWUAKQST-NWDGAFQWSA-N 0 0 198.306 2.354 10 0 AEAERN OCC[C@H](C1CCCC1)[C@@H]1CCOC1 214236132 571736153 /nfs/dbraw/zinc/73/61/53/571736153.db2.gz QDNVUFRLXYZQAO-VXGBXAGGSA-N 0 0 198.306 2.212 10 0 AEAERN OC[C@H](C1CCCCC1)[C@H]1CCCO1 214233219 571736170 /nfs/dbraw/zinc/73/61/70/571736170.db2.gz RWQPOFUOUJOUMR-VXGBXAGGSA-N 0 0 198.306 2.354 10 0 AEAERN OCCC[C@@H](C1CCC1)[C@H]1CCCO1 214233743 571736205 /nfs/dbraw/zinc/73/62/05/571736205.db2.gz REUQTTZNRYAJEM-NWDGAFQWSA-N 0 0 198.306 2.354 10 0 AEAERN OCC[C@@H](C1CC1)[C@@H]1CCCCCO1 214231933 571736214 /nfs/dbraw/zinc/73/62/14/571736214.db2.gz GNGGJRVPEGGPSB-RYUDHWBXSA-N 0 0 198.306 2.354 10 0 AEAERN OC[C@H](C1CCCC1)[C@H]1CCCCO1 214232443 571736218 /nfs/dbraw/zinc/73/62/18/571736218.db2.gz XQEZHSWJKIFFAX-VXGBXAGGSA-N 0 0 198.306 2.354 10 0 AEAERN OCC[C@@H](C1CCC1)[C@@H]1CCCOC1 214235423 571736257 /nfs/dbraw/zinc/73/62/57/571736257.db2.gz FMPRFAPJSKOZRA-NEPJUHHUSA-N 0 0 198.306 2.212 10 0 AEAERN OC[C@@H](C1CCCC1)[C@H]1CCCOC1 214235300 571736266 /nfs/dbraw/zinc/73/62/66/571736266.db2.gz WUKKACHHLATCCX-RYUDHWBXSA-N 0 0 198.306 2.212 10 0 AEAERN OCC[C@H](C1CCC1)[C@@H]1CCCOC1 214235372 571736270 /nfs/dbraw/zinc/73/62/70/571736270.db2.gz FMPRFAPJSKOZRA-VXGBXAGGSA-N 0 0 198.306 2.212 10 0 AEAERN OC[C@H](C1CCC1)[C@H]1CCCCCO1 214231743 571736530 /nfs/dbraw/zinc/73/65/30/571736530.db2.gz AFQWUDIWRRMPJC-VXGBXAGGSA-N 0 0 198.306 2.354 10 0 AEAERN OCCC[C@H](C1CCOCC1)C1CC1 214235056 571736547 /nfs/dbraw/zinc/73/65/47/571736547.db2.gz YWSRPJLVMQASKN-LBPRGKRZSA-N 0 0 198.306 2.212 10 0 AEAERN O[C@H](C1CCCC1)[C@H]1CCCOCC1 214237639 571736552 /nfs/dbraw/zinc/73/65/52/571736552.db2.gz NZNIPDWJFNWTMM-NWDGAFQWSA-N 0 0 198.306 2.354 10 0 AEAERN OCCC[C@H](C1CC1)[C@@H]1CCCCO1 214232965 571736583 /nfs/dbraw/zinc/73/65/83/571736583.db2.gz XWGGPHQLKQRLJY-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN OC[C@@H](C1CCC1)[C@H]1CCCCCO1 214231628 571736589 /nfs/dbraw/zinc/73/65/89/571736589.db2.gz AFQWUDIWRRMPJC-NWDGAFQWSA-N 0 0 198.306 2.354 10 0 AEAERN OCCC[C@@H](C1CCCC1)[C@@H]1CCO1 214234112 571736606 /nfs/dbraw/zinc/73/66/06/571736606.db2.gz PIJWNDJLVOQJEG-RYUDHWBXSA-N 0 0 198.306 2.354 10 0 AEAERN OCC[C@H](C1CCCC1)[C@@H]1CCCO1 214233342 571736646 /nfs/dbraw/zinc/73/66/46/571736646.db2.gz COHFUGJDSVIUKG-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN OCCC[C@@H](C1CC1)[C@@H]1CCCCO1 214232848 571736703 /nfs/dbraw/zinc/73/67/03/571736703.db2.gz XWGGPHQLKQRLJY-RYUDHWBXSA-N 0 0 198.306 2.354 10 0 AEAERN OC[C@H](C1CCC1)[C@H]1CCCOCC1 214234389 571736754 /nfs/dbraw/zinc/73/67/54/571736754.db2.gz VBDBJBCLHFLJQU-NWDGAFQWSA-N 0 0 198.306 2.212 10 0 AEAERN O[C@@H](C1CCCC1)[C@H]1CCCCCO1 214231490 571736768 /nfs/dbraw/zinc/73/67/68/571736768.db2.gz RCPBVIYRMOATCG-NEPJUHHUSA-N 0 0 198.306 2.497 10 0 AEAERN Cc1cccc2c1NCC=C2 24629052 571736777 /nfs/dbraw/zinc/73/67/77/571736777.db2.gz NZCHGMUXMFNADA-UHFFFAOYSA-N 0 0 145.205 2.434 10 0 AEAERN OCC[C@@H](C1CCC1)[C@@H]1CCCCO1 214232594 571736835 /nfs/dbraw/zinc/73/68/35/571736835.db2.gz UHMIJRYWUAKQST-RYUDHWBXSA-N 0 0 198.306 2.354 10 0 AEAERN OCC[C@H](C1CC1)[C@H]1CCCCCO1 214231987 571736925 /nfs/dbraw/zinc/73/69/25/571736925.db2.gz GNGGJRVPEGGPSB-VXGBXAGGSA-N 0 0 198.306 2.354 10 0 AEAERN O[C@H](C1CCCC1)[C@@H]1CCCOCC1 214237519 571736940 /nfs/dbraw/zinc/73/69/40/571736940.db2.gz NZNIPDWJFNWTMM-VXGBXAGGSA-N 0 0 198.306 2.354 10 0 AEAERN OCC[C@H](C1CCCCC1)[C@H]1CCO1 214233929 571736947 /nfs/dbraw/zinc/73/69/47/571736947.db2.gz LFHZJTATBYFUEK-VXGBXAGGSA-N 0 0 198.306 2.354 10 0 AEAERN OCC[C@H](C1CCC1)[C@H]1CCCCO1 214232764 571737167 /nfs/dbraw/zinc/73/71/67/571737167.db2.gz UHMIJRYWUAKQST-VXGBXAGGSA-N 0 0 198.306 2.354 10 0 AEAERN CCOC(=O)/C=C/C=C(/C)[C@H](C)OC 388674161 571736991 /nfs/dbraw/zinc/73/69/91/571736991.db2.gz FALNWLAUGRKUHL-GPVNUQEXSA-N 0 0 198.262 2.087 10 0 AEAERN OCCC[C@@H](C1CC1)[C@H]1CCCOC1 214235617 571737014 /nfs/dbraw/zinc/73/70/14/571737014.db2.gz YABZCUHVKBLRLA-RYUDHWBXSA-N 0 0 198.306 2.212 10 0 AEAERN OCC[C@H](C1CC1)[C@H]1CCCOCC1 214234606 571737068 /nfs/dbraw/zinc/73/70/68/571737068.db2.gz FKSJRMDWXJUGPL-JQWIXIFHSA-N 0 0 198.306 2.212 10 0 AEAERN OCC[C@H](C1CCC1)C1CCOCC1 214234876 571737120 /nfs/dbraw/zinc/73/71/20/571737120.db2.gz XIWQUXAXENXCIB-GFCCVEGCSA-N 0 0 198.306 2.212 10 0 AEAERN OCC[C@H](C1CCCCC1)[C@@H]1CCO1 214233818 571737152 /nfs/dbraw/zinc/73/71/52/571737152.db2.gz LFHZJTATBYFUEK-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN OC[C@@H](C1CCCC1)[C@H]1CCCCO1 214232505 571737156 /nfs/dbraw/zinc/73/71/56/571737156.db2.gz XQEZHSWJKIFFAX-NWDGAFQWSA-N 0 0 198.306 2.354 10 0 AEAERN OCCC[C@H](C1CC1)[C@H]1CCCOC1 214235727 571737197 /nfs/dbraw/zinc/73/71/97/571737197.db2.gz YABZCUHVKBLRLA-NWDGAFQWSA-N 0 0 198.306 2.212 10 0 AEAERN Cc1cccc2c1OC(=S)OC2 214241425 571737231 /nfs/dbraw/zinc/73/72/31/571737231.db2.gz YTQDXAOXTCAKEX-UHFFFAOYSA-N 0 0 180.228 2.189 10 0 AEAERN OCC[C@@H](C1CC1)[C@@H]1CCCOCC1 214234556 571737245 /nfs/dbraw/zinc/73/72/45/571737245.db2.gz FKSJRMDWXJUGPL-ZYHUDNBSSA-N 0 0 198.306 2.212 10 0 AEAERN OC[C@@H](C1CCC1)[C@H]1CCCOCC1 214234439 571737256 /nfs/dbraw/zinc/73/72/56/571737256.db2.gz VBDBJBCLHFLJQU-RYUDHWBXSA-N 0 0 198.306 2.212 10 0 AEAERN OCC[C@@H](C1CCCC1)[C@H]1CCOC1 214236330 571737291 /nfs/dbraw/zinc/73/72/91/571737291.db2.gz QDNVUFRLXYZQAO-RYUDHWBXSA-N 0 0 198.306 2.212 10 0 AEAERN CCOc1ccc2c(c1)CC(=O)CC2 24627565 571737300 /nfs/dbraw/zinc/73/73/00/571737300.db2.gz GNFPODVWCOAENZ-UHFFFAOYSA-N 0 0 190.242 2.143 10 0 AEAERN CC[C@@H](C)CNc1snc(N)c1C 233840007 571737310 /nfs/dbraw/zinc/73/73/10/571737310.db2.gz KOIVFXVDVYUNHB-ZCFIWIBFSA-N 0 0 199.323 2.492 10 0 AEAERN 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/nfs/dbraw/zinc/75/27/80/571752780.db2.gz JQBFBLLMYZIYHB-QXEWZRGKSA-N 0 0 199.294 2.018 10 0 AEAERN CCC[C@@H](O)CCc1ccc(C)nc1 70775007 571752816 /nfs/dbraw/zinc/75/28/16/571752816.db2.gz ISYGPGCAIOUMBH-GFCCVEGCSA-N 0 0 193.290 2.484 10 0 AEAERN COc1ccccc1CCC[C@H](C)O 70770222 571753062 /nfs/dbraw/zinc/75/30/62/571753062.db2.gz FWQLGORNDUYGOU-JTQLQIEISA-N 0 0 194.274 2.399 10 0 AEAERN CCC[C@H](O)CCc1ccc(C)nc1 70775004 571753103 /nfs/dbraw/zinc/75/31/03/571753103.db2.gz ISYGPGCAIOUMBH-LBPRGKRZSA-N 0 0 193.290 2.484 10 0 AEAERN O=C1OCc2cc(Cl)ccc2O1 214391960 571753113 /nfs/dbraw/zinc/75/31/13/571753113.db2.gz PEGHRHKSACAPFA-UHFFFAOYSA-N 0 0 184.578 2.369 10 0 AEAERN COc1cccc2c1CCC[C@@H]2CO 138827954 571753115 /nfs/dbraw/zinc/75/31/15/571753115.db2.gz XFDFCLXIMZGIBR-SECBINFHSA-N 0 0 192.258 2.107 10 0 AEAERN CCC[C@H](O)CCC[C@H]1CCCO1 70774993 571753119 /nfs/dbraw/zinc/75/31/19/571753119.db2.gz UJALNGCBUVOBSX-QWRGUYRKSA-N 0 0 186.295 2.497 10 0 AEAERN CCC[NH2+][C@]1(C(=O)[O-])CC[C@H](CC)C1 70763834 571753202 /nfs/dbraw/zinc/75/32/02/571753202.db2.gz PEMLDLUTXDDJEV-GXSJLCMTSA-N 0 0 199.294 2.020 10 0 AEAERN c1cc2cc(-n3ccnc3)ccc2cn1 13808226 571753304 /nfs/dbraw/zinc/75/33/04/571753304.db2.gz YACWDKFXWATANA-UHFFFAOYSA-N 0 0 195.225 2.421 10 0 in-vivo AEAERN OCCCCCc1ccsc1 70770013 571753604 /nfs/dbraw/zinc/75/36/04/571753604.db2.gz ZBAFKADEDSNCSD-UHFFFAOYSA-N 0 0 170.277 2.453 10 0 AEAERN CCC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](CC)C1 70763837 571753712 /nfs/dbraw/zinc/75/37/12/571753712.db2.gz PEMLDLUTXDDJEV-KOLCDFICSA-N 0 0 199.294 2.020 10 0 AEAERN Cc1cc(Cl)ccc1CN(C)O 214431948 571753743 /nfs/dbraw/zinc/75/37/43/571753743.db2.gz NXPWFRQMBVKAGP-UHFFFAOYSA-N 0 0 185.654 2.469 10 0 AEAERN Cc1ccc([C@@H](CO)C(F)F)cc1 214442980 571753750 /nfs/dbraw/zinc/75/37/50/571753750.db2.gz BJMRGKNWEATHSA-SECBINFHSA-N 0 0 186.201 2.336 10 0 AEAERN CCC[C@H](O)CCCCOCC 70774804 571753879 /nfs/dbraw/zinc/75/38/79/571753879.db2.gz SIKBHGGIKLAPKI-JTQLQIEISA-N 0 0 174.284 2.354 10 0 AEAERN CCC[C@@H](O)CCC[C@H]1CCCO1 70774995 571753898 /nfs/dbraw/zinc/75/38/98/571753898.db2.gz UJALNGCBUVOBSX-MNOVXSKESA-N 0 0 186.295 2.497 10 0 AEAERN C[NH2+]Cc1cc(O)c(Cl)cc1C 214431317 571754030 /nfs/dbraw/zinc/75/40/30/571754030.db2.gz MCSPTIQOJFUPLW-UHFFFAOYSA-N 0 0 185.654 2.073 10 0 AEAERN C/C(=C/C=C/C=C\Cl)CO 214438745 571754048 /nfs/dbraw/zinc/75/40/48/571754048.db2.gz OPRPPXZHUIASLO-WFEOCUKJSA-N 0 0 158.628 2.234 10 0 AEAERN CCc1ccc(Cl)cc1CNO 214432103 571754069 /nfs/dbraw/zinc/75/40/69/571754069.db2.gz MOFQHJJHNSKHGK-UHFFFAOYSA-N 0 0 185.654 2.381 10 0 AEAERN O[C@@H](CC1CCC1)c1ccc(F)nc1 686117937 571754088 /nfs/dbraw/zinc/75/40/88/571754088.db2.gz CUIZQQCIHKDHEB-JTQLQIEISA-N 0 0 195.237 2.444 10 0 AEAERN Cc1ccccc1[C@H](CO)C(F)F 214442893 571754113 /nfs/dbraw/zinc/75/41/13/571754113.db2.gz BVHKLQKOGNTFSJ-VIFPVBQESA-N 0 0 186.201 2.336 10 0 AEAERN CCC[C@H](O)CCCCCOC 70775104 571754125 /nfs/dbraw/zinc/75/41/25/571754125.db2.gz ACVPRWSLBOEVMH-JTQLQIEISA-N 0 0 174.284 2.354 10 0 AEAERN CCC[NH2+][C@]1(C(=O)[O-])CC[C@@H](CC)C1 70763836 571754157 /nfs/dbraw/zinc/75/41/57/571754157.db2.gz PEMLDLUTXDDJEV-MWLCHTKSSA-N 0 0 199.294 2.020 10 0 AEAERN COc1cccc(CCC[C@@H](C)O)c1 70770675 571754161 /nfs/dbraw/zinc/75/41/61/571754161.db2.gz ZJXVBKNTEPNANL-SNVBAGLBSA-N 0 0 194.274 2.399 10 0 AEAERN COc1cccc(CCC[C@H](C)O)c1 70770672 571754205 /nfs/dbraw/zinc/75/42/05/571754205.db2.gz ZJXVBKNTEPNANL-JTQLQIEISA-N 0 0 194.274 2.399 10 0 AEAERN CCC[C@@H](O)CCC[C@@H]1CCCO1 70774990 571754272 /nfs/dbraw/zinc/75/42/72/571754272.db2.gz UJALNGCBUVOBSX-GHMZBOCLSA-N 0 0 186.295 2.497 10 0 AEAERN CCC[NH2+][C@@]1(C(=O)[O-])CC[C@H](CC)C1 70763835 571754326 /nfs/dbraw/zinc/75/43/26/571754326.db2.gz PEMLDLUTXDDJEV-ONGXEEELSA-N 0 0 199.294 2.020 10 0 AEAERN O=C1CCC=C2CCC[C@@H]2C1 138860442 571755064 /nfs/dbraw/zinc/75/50/64/571755064.db2.gz JGBLXJJYEPWJQQ-SECBINFHSA-N 0 0 150.221 2.466 10 0 AEAERN COc1cc([C@H](C)O)cc2ccoc12 14451184 571754355 /nfs/dbraw/zinc/75/43/55/571754355.db2.gz 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/nfs/dbraw/zinc/75/80/75/571758075.db2.gz DEGWAQJDXLUYAD-UHFFFAOYSA-N 0 0 186.638 2.155 10 0 AEAERN COCCC[C@@H]1CCCC[C@H](O)C1 70776175 571754750 /nfs/dbraw/zinc/75/47/50/571754750.db2.gz PMHSGCGVTOFCEG-QWRGUYRKSA-N 0 0 186.295 2.354 10 0 AEAERN CCO[C@H](C)[C@@H](O)c1cccc(F)c1 70829315 571758229 /nfs/dbraw/zinc/75/82/29/571758229.db2.gz HOXYWBCVNZWTGC-LDYMZIIASA-N 0 0 198.237 2.284 10 0 AEAERN Cc1ccc(C)c(CNO)c1Cl 214432581 571754868 /nfs/dbraw/zinc/75/48/68/571754868.db2.gz LIDDLXFTDPTOOE-UHFFFAOYSA-N 0 0 185.654 2.436 10 0 AEAERN CC[C@H](O)CCc1ccc(C)nc1 70777137 571756361 /nfs/dbraw/zinc/75/63/61/571756361.db2.gz UHWGMAKJDWGNLF-NSHDSACASA-N 0 0 179.263 2.094 10 0 AEAERN CC(C)[C@@H](O)CCC[C@H]1CCCO1 70777919 571754922 /nfs/dbraw/zinc/75/49/22/571754922.db2.gz MWBKHAKEAPZQBN-QWRGUYRKSA-N 0 0 186.295 2.353 10 0 AEAERN COC(=O)C/C=C\c1cccs1 214421985 571754933 /nfs/dbraw/zinc/75/49/33/571754933.db2.gz YEEUDUZBKRFTFT-RQOWECAXSA-N 0 0 182.244 2.324 10 0 AEAERN CCc1cc(Cl)cc(CNO)c1 214432031 571754937 /nfs/dbraw/zinc/75/49/37/571754937.db2.gz HJPINFRPMRMGTC-UHFFFAOYSA-N 0 0 185.654 2.381 10 0 AEAERN CCC[C@H](O)CCc1ccoc1 70775291 571755004 /nfs/dbraw/zinc/75/50/04/571755004.db2.gz BIELBTMLYHSZGW-JTQLQIEISA-N 0 0 168.236 2.373 10 0 AEAERN C=CCC[C@@H]1CCC(OC)=CC1=O 38338670 571755005 /nfs/dbraw/zinc/75/50/05/571755005.db2.gz AIRSPWQTUPPREQ-SECBINFHSA-N 0 0 180.247 2.462 10 0 AEAERN CC(C)[C@@H](O)CCc1cccnc1 70778340 571755102 /nfs/dbraw/zinc/75/51/02/571755102.db2.gz GSTRPKASFUBPTD-NSHDSACASA-N 0 0 179.263 2.031 10 0 AEAERN O[C@@H](CCC[C@H]1CCCO1)C1CC1 70778827 571755129 /nfs/dbraw/zinc/75/51/29/571755129.db2.gz ZJLXSFIIGSEJHR-QWRGUYRKSA-N 0 0 184.279 2.107 10 0 AEAERN Cc1oc(C2([NH3+])CC2)c(C)c1Cl 214431166 571755193 /nfs/dbraw/zinc/75/51/93/571755193.db2.gz XKHDAADFCFUCGZ-UHFFFAOYSA-N 0 0 185.654 2.498 10 0 AEAERN CC(C)[C@H](O)CCC[C@@H]1CCCO1 70777909 571755201 /nfs/dbraw/zinc/75/52/01/571755201.db2.gz MWBKHAKEAPZQBN-GHMZBOCLSA-N 0 0 186.295 2.353 10 0 AEAERN CCC[C@H](O)CCc1cccnc1 70775333 571755260 /nfs/dbraw/zinc/75/52/60/571755260.db2.gz CUMXBCAFDOUYAF-NSHDSACASA-N 0 0 179.263 2.175 10 0 AEAERN CCOCCCC[C@@H](O)C(C)C 70777723 571755302 /nfs/dbraw/zinc/75/53/02/571755302.db2.gz MFXJGKOFEZDWMF-SNVBAGLBSA-N 0 0 174.284 2.210 10 0 AEAERN CCO[C@@H](C)C(=O)Cc1ccccc1 38416471 571755316 /nfs/dbraw/zinc/75/53/16/571755316.db2.gz GAVVSKBKFYQLGG-JTQLQIEISA-N 0 0 192.258 2.223 10 0 AEAERN CC/C=C\[C@@H]1C=CC[C@@H]1CO 214436620 571755321 /nfs/dbraw/zinc/75/53/21/571755321.db2.gz VZZASDMSTKFGID-QBNQYXCASA-N 0 0 152.237 2.137 10 0 AEAERN Cc1ccccc1[C@@H](CO)C(F)F 214442843 571755361 /nfs/dbraw/zinc/75/53/61/571755361.db2.gz BVHKLQKOGNTFSJ-SECBINFHSA-N 0 0 186.201 2.336 10 0 AEAERN O=C1CC=CC(c2ccccc2)=CN1 205066442 571755365 /nfs/dbraw/zinc/75/53/65/571755365.db2.gz NYKJYYBXEMOAOM-UHFFFAOYSA-N 0 0 185.226 2.104 10 0 AEAERN CCC[C@@H](O)CCc1cncc(F)c1 70775326 571755371 /nfs/dbraw/zinc/75/53/71/571755371.db2.gz NFBCGUFDLKPNQF-LLVKDONJSA-N 0 0 197.253 2.314 10 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2.402 10 0 AEAERN C[NH2+]Cc1cc(O)cc(C)c1Cl 214431481 571755657 /nfs/dbraw/zinc/75/56/57/571755657.db2.gz XSHVQFUTCIFPNN-UHFFFAOYSA-N 0 0 185.654 2.073 10 0 AEAERN C[NH2+]Cc1cc(C)c(Cl)c(O)c1 214431399 571755751 /nfs/dbraw/zinc/75/57/51/571755751.db2.gz MATDRKSJZXGXJL-UHFFFAOYSA-N 0 0 185.654 2.073 10 0 AEAERN O[C@@H](/C=C\F)c1cccs1 214438358 571755790 /nfs/dbraw/zinc/75/57/90/571755790.db2.gz MPUIQRKVWOGFNE-SYDCGGLASA-N 0 0 158.197 2.265 10 0 AEAERN c1nc2ccc3c(c2s1)CCN3 205067197 571755793 /nfs/dbraw/zinc/75/57/93/571755793.db2.gz HXVKSDANLFMKOV-UHFFFAOYSA-N 0 0 176.244 2.264 10 0 AEAERN Cc1cc(Cl)c(C)c(CNO)c1 214432341 571755794 /nfs/dbraw/zinc/75/57/94/571755794.db2.gz SRGFIVVBMCFTHE-UHFFFAOYSA-N 0 0 185.654 2.436 10 0 AEAERN COCCCCC[C@H](O)C(C)C 70778069 571755795 /nfs/dbraw/zinc/75/57/95/571755795.db2.gz SLAMPOWVIALOJJ-JTQLQIEISA-N 0 0 174.284 2.210 10 0 AEAERN CCC(CC)C[C@](C)([NH3+])CC(=O)[O-] 13980996 571755801 /nfs/dbraw/zinc/75/58/01/571755801.db2.gz XUHXZCQJBQMOTA-JTQLQIEISA-N 0 0 187.283 2.005 10 0 AEAERN Cc1cc(Cl)c(O)cc1[C@H](C)[NH3+] 214433090 571755856 /nfs/dbraw/zinc/75/58/56/571755856.db2.gz XGIPECAQVDEQNA-LURJTMIESA-N 0 0 185.654 2.374 10 0 AEAERN Cc1cccc([C@H](CO)C(F)F)c1 214443170 571755893 /nfs/dbraw/zinc/75/58/93/571755893.db2.gz QQOOPCUIOBTVKK-VIFPVBQESA-N 0 0 186.201 2.336 10 0 AEAERN Cc1cc(C)c(CNO)cc1Cl 214432746 571755900 /nfs/dbraw/zinc/75/59/00/571755900.db2.gz RXROCHLNSSBQPR-UHFFFAOYSA-N 0 0 185.654 2.436 10 0 AEAERN Cc1cccc([C@@H](CO)C(F)F)c1 214443112 571755965 /nfs/dbraw/zinc/75/59/65/571755965.db2.gz QQOOPCUIOBTVKK-SECBINFHSA-N 0 0 186.201 2.336 10 0 AEAERN OC[C@@H](Cc1ccccc1)C(F)F 214443299 571755969 /nfs/dbraw/zinc/75/59/69/571755969.db2.gz WKDIKECXXMUXGY-SECBINFHSA-N 0 0 186.201 2.103 10 0 AEAERN COCCCCC[C@@H](O)C(C)C 70778065 571755983 /nfs/dbraw/zinc/75/59/83/571755983.db2.gz SLAMPOWVIALOJJ-SNVBAGLBSA-N 0 0 174.284 2.210 10 0 AEAERN CC(C)[C@H](O)CCc1ccoc1 70778280 571755986 /nfs/dbraw/zinc/75/59/86/571755986.db2.gz RYVCZSMTOIRWIJ-SNVBAGLBSA-N 0 0 168.236 2.229 10 0 AEAERN CC[C@@H](O)CCC[C@@H]1CCCO1 70777116 571755991 /nfs/dbraw/zinc/75/59/91/571755991.db2.gz CTYRLZDGPPIEBH-NXEZZACHSA-N 0 0 172.268 2.107 10 0 AEAERN Cc1cc(Cl)c(O)cc1[C@@H](C)[NH3+] 214433049 571756012 /nfs/dbraw/zinc/75/60/12/571756012.db2.gz XGIPECAQVDEQNA-ZCFIWIBFSA-N 0 0 185.654 2.374 10 0 AEAERN CC[C@H](O)CCC[C@@H]1CCCO1 70777113 571756105 /nfs/dbraw/zinc/75/61/05/571756105.db2.gz CTYRLZDGPPIEBH-VHSXEESVSA-N 0 0 172.268 2.107 10 0 AEAERN C/C=C(\C)C(=O)OC/C=C/CC 141301351 571756115 /nfs/dbraw/zinc/75/61/15/571756115.db2.gz XIJPFWOVSKOUMQ-CQCRHSALSA-N 0 0 168.236 2.462 10 0 AEAERN CC[C@H](O)CCC[C@H]1CCCO1 70777119 571756147 /nfs/dbraw/zinc/75/61/47/571756147.db2.gz CTYRLZDGPPIEBH-UWVGGRQHSA-N 0 0 172.268 2.107 10 0 AEAERN O[C@H](CCCC1CCOCC1)C1CC1 70778620 571756161 /nfs/dbraw/zinc/75/61/61/571756161.db2.gz FWJCYYKKEISNQJ-GFCCVEGCSA-N 0 0 198.306 2.354 10 0 AEAERN CC(C)(C)[C@H](O)CC[C@@H]1CCOC1 70779637 571756186 /nfs/dbraw/zinc/75/61/86/571756186.db2.gz OLMKGOCWBGYHJD-NXEZZACHSA-N 0 0 186.295 2.210 10 0 AEAERN CC(C)[C@H](O)CC(=O)C(C)(C)C 38292673 571756188 /nfs/dbraw/zinc/75/61/88/571756188.db2.gz GMYCMCQOPPEVMY-MRVPVSSYSA-N 0 0 172.268 2.009 10 0 AEAERN O[C@H](CC1CCC1)c1ccc(F)nc1 686117943 571756210 /nfs/dbraw/zinc/75/62/10/571756210.db2.gz CUIZQQCIHKDHEB-SNVBAGLBSA-N 0 0 195.237 2.444 10 0 AEAERN Cc1ccc(CC[C@H](O)C2CC2)cn1 70778854 571756257 /nfs/dbraw/zinc/75/62/57/571756257.db2.gz XSQLSTJLEIQFNB-LBPRGKRZSA-N 0 0 191.274 2.094 10 0 AEAERN CC(C)[C@@H](O)CCc1ccoc1 70778284 571756287 /nfs/dbraw/zinc/75/62/87/571756287.db2.gz RYVCZSMTOIRWIJ-JTQLQIEISA-N 0 0 168.236 2.229 10 0 AEAERN Cc1ccc(CC[C@@H](O)C(C)C)cn1 70777938 571756291 /nfs/dbraw/zinc/75/62/91/571756291.db2.gz IWURKOREXPSKDF-GFCCVEGCSA-N 0 0 193.290 2.340 10 0 AEAERN Cc1ccc(CC[C@@H](O)C2CC2)cn1 70778858 571756393 /nfs/dbraw/zinc/75/63/93/571756393.db2.gz XSQLSTJLEIQFNB-GFCCVEGCSA-N 0 0 191.274 2.094 10 0 AEAERN COc1cc(C)cc(Cl)c1CO 214466244 571756414 /nfs/dbraw/zinc/75/64/14/571756414.db2.gz LPOSVBKRVVOHTC-UHFFFAOYSA-N 0 0 186.638 2.149 10 0 AEAERN CCC[C@H](O)CCc1cncc(F)c1 70775323 571756441 /nfs/dbraw/zinc/75/64/41/571756441.db2.gz NFBCGUFDLKPNQF-NSHDSACASA-N 0 0 197.253 2.314 10 0 AEAERN COc1ccc(C)c(Cl)c1CO 214466325 571756442 /nfs/dbraw/zinc/75/64/42/571756442.db2.gz ONLDVFHTBUSTLE-UHFFFAOYSA-N 0 0 186.638 2.149 10 0 AEAERN COCCC[C@@H]1CCCC[C@@H](O)C1 70776181 571756498 /nfs/dbraw/zinc/75/64/98/571756498.db2.gz PMHSGCGVTOFCEG-WDEREUQCSA-N 0 0 186.295 2.354 10 0 AEAERN COCCC[C@H]1CCCC[C@H](O)C1 70776178 571756525 /nfs/dbraw/zinc/75/65/25/571756525.db2.gz PMHSGCGVTOFCEG-MNOVXSKESA-N 0 0 186.295 2.354 10 0 AEAERN Cc1ccc(CC[C@H](O)C(C)C)cn1 70777934 571756530 /nfs/dbraw/zinc/75/65/30/571756530.db2.gz IWURKOREXPSKDF-LBPRGKRZSA-N 0 0 193.290 2.340 10 0 AEAERN CC(C)[C@@H](O)CCc1cncc(F)c1 70778323 571756565 /nfs/dbraw/zinc/75/65/65/571756565.db2.gz VYTSIBTYDGZPLL-NSHDSACASA-N 0 0 197.253 2.170 10 0 AEAERN COc1cc(C)c(Cl)c(CO)c1 214466082 571756582 /nfs/dbraw/zinc/75/65/82/571756582.db2.gz PNEUWQYNPDLDJD-UHFFFAOYSA-N 0 0 186.638 2.149 10 0 AEAERN CC(C)[C@H](N(C)C)C(F)(F)F 17405719 571761793 /nfs/dbraw/zinc/76/17/93/571761793.db2.gz LFXACVIMTWKSPZ-LURJTMIESA-N 0 0 169.190 2.135 10 0 AEAERN COCCC[C@H]1CCCC[C@@H](O)C1 70776185 571756673 /nfs/dbraw/zinc/75/66/73/571756673.db2.gz PMHSGCGVTOFCEG-GHMZBOCLSA-N 0 0 186.295 2.354 10 0 AEAERN CCOCCCC[C@H](O)C(C)C 70777718 571756686 /nfs/dbraw/zinc/75/66/86/571756686.db2.gz MFXJGKOFEZDWMF-JTQLQIEISA-N 0 0 174.284 2.210 10 0 AEAERN CCC[C@@H](O)CCc1ccoc1 70775295 571756690 /nfs/dbraw/zinc/75/66/90/571756690.db2.gz BIELBTMLYHSZGW-SNVBAGLBSA-N 0 0 168.236 2.373 10 0 AEAERN CCCC1=C[C@H]2C(=O)CC[C@@H]12 205105484 571756761 /nfs/dbraw/zinc/75/67/61/571756761.db2.gz RVKLOKWWMCCXLT-DTWKUNHWSA-N 0 0 150.221 2.322 10 0 AEAERN Cc1cc(CO)c(C)c(Cl)c1O 214466160 571756809 /nfs/dbraw/zinc/75/68/09/571756809.db2.gz WJZXZKUFPNHIKN-UHFFFAOYSA-N 0 0 186.638 2.155 10 0 AEAERN CCCC1=C[C@H]2C(=O)CC[C@H]12 205105458 571756817 /nfs/dbraw/zinc/75/68/17/571756817.db2.gz RVKLOKWWMCCXLT-RKDXNWHRSA-N 0 0 150.221 2.322 10 0 AEAERN O[C@@H](CCC[C@@H]1CCCO1)C1CC1 70778832 571756821 /nfs/dbraw/zinc/75/68/21/571756821.db2.gz ZJLXSFIIGSEJHR-MNOVXSKESA-N 0 0 184.279 2.107 10 0 AEAERN CC(C)(C)[C@H](O)CC[C@H]1CCOC1 70779645 571756855 /nfs/dbraw/zinc/75/68/55/571756855.db2.gz OLMKGOCWBGYHJD-VHSXEESVSA-N 0 0 186.295 2.210 10 0 AEAERN CC[C@@H](O)CCCC1CCOCC1 70776939 571756921 /nfs/dbraw/zinc/75/69/21/571756921.db2.gz GVMUCHLBHDRPGL-LLVKDONJSA-N 0 0 186.295 2.354 10 0 AEAERN COc1ccc(-c2cncn2C)cc1 1249884 571757028 /nfs/dbraw/zinc/75/70/28/571757028.db2.gz SDEHSBXWJYPEBO-UHFFFAOYSA-N 0 0 188.230 2.096 10 0 AEAERN CC(C)(C)[C@@H](O)CC[C@H]1CCOC1 70779649 571757030 /nfs/dbraw/zinc/75/70/30/571757030.db2.gz OLMKGOCWBGYHJD-UWVGGRQHSA-N 0 0 186.295 2.210 10 0 AEAERN O[C@H](CCC[C@@H]1CCCO1)C1CC1 70778844 571757104 /nfs/dbraw/zinc/75/71/04/571757104.db2.gz ZJLXSFIIGSEJHR-GHMZBOCLSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@H]1CCc2cccnc21 25920672 571757167 /nfs/dbraw/zinc/75/71/67/571757167.db2.gz WTJXPILYFXGUHE-ZETCQYMHSA-N 0 0 133.194 2.131 10 0 AEAERN CCc1ccccc1N1CCC(=O)C1 37239968 571757181 /nfs/dbraw/zinc/75/71/81/571757181.db2.gz ZMGNGKODOMRMOF-UHFFFAOYSA-N 0 0 189.258 2.028 10 0 AEAERN CC(C)=C/C=C/C(C)=C\CO 15120751 571757119 /nfs/dbraw/zinc/75/71/19/571757119.db2.gz ANRXPGZZNZBSTD-JSRXJHBZSA-N 0 0 152.237 2.447 10 0 AEAERN CC[C@@H](O)CCC[C@H]1CCCO1 70777120 571757212 /nfs/dbraw/zinc/75/72/12/571757212.db2.gz CTYRLZDGPPIEBH-ZJUUUORDSA-N 0 0 172.268 2.107 10 0 AEAERN CC(C)[C@H](O)CCc1cncc(F)c1 70778318 571757284 /nfs/dbraw/zinc/75/72/84/571757284.db2.gz VYTSIBTYDGZPLL-LLVKDONJSA-N 0 0 197.253 2.170 10 0 AEAERN CC[C@H](O)CCCC1CCOCC1 70776935 571757350 /nfs/dbraw/zinc/75/73/50/571757350.db2.gz GVMUCHLBHDRPGL-NSHDSACASA-N 0 0 186.295 2.354 10 0 AEAERN CC(C)[C@H](O)CCC[C@H]1CCCO1 70777915 571757397 /nfs/dbraw/zinc/75/73/97/571757397.db2.gz MWBKHAKEAPZQBN-WDEREUQCSA-N 0 0 186.295 2.353 10 0 AEAERN CC[C@@H](C)[C@@H](C)Nc1nc(C)no1 233863735 571757402 /nfs/dbraw/zinc/75/74/02/571757402.db2.gz XCBQSNHWJRXFBI-RNFRBKRXSA-N 0 0 183.255 2.225 10 0 AEAERN CC(C)[C@@H](O)CCC[C@@H]1CCCO1 70777912 571757463 /nfs/dbraw/zinc/75/74/63/571757463.db2.gz MWBKHAKEAPZQBN-MNOVXSKESA-N 0 0 186.295 2.353 10 0 AEAERN CC(=O)c1cnn(C(C)C)c1Cl 214466726 571757547 /nfs/dbraw/zinc/75/75/47/571757547.db2.gz BWQDVEOBTVFJKF-UHFFFAOYSA-N 0 0 186.642 2.320 10 0 AEAERN CC[C@@H](O)CCc1ccc(C)nc1 70777141 571757593 /nfs/dbraw/zinc/75/75/93/571757593.db2.gz UHWGMAKJDWGNLF-LLVKDONJSA-N 0 0 179.263 2.094 10 0 AEAERN CCC[C@@H](O)CCc1cccnc1 70775336 571757616 /nfs/dbraw/zinc/75/76/16/571757616.db2.gz CUMXBCAFDOUYAF-LLVKDONJSA-N 0 0 179.263 2.175 10 0 AEAERN C[C@@H]1CCc2cnccc21 25920351 571757629 /nfs/dbraw/zinc/75/76/29/571757629.db2.gz WSYRVYBGTDLGMV-SSDOTTSWSA-N 0 0 133.194 2.131 10 0 AEAERN CC1(C)C(=O)C[C@@]2(C)CC[C@H]12 205109291 571757678 /nfs/dbraw/zinc/75/76/78/571757678.db2.gz NHFFWLSUVUFBKS-GMSGAONNSA-N 0 0 152.237 2.402 10 0 AEAERN Cl/C=C\CN1Cc2cccnc2C1 379356854 571757695 /nfs/dbraw/zinc/75/76/95/571757695.db2.gz PPGFBFPMTHGYNW-RQOWECAXSA-N 0 0 194.665 2.150 10 0 AEAERN COC/C=C\c1ccc2c(c1)OCO2 15113499 571757702 /nfs/dbraw/zinc/75/77/02/571757702.db2.gz LQMIARGWLNDOPD-IHWYPQMZSA-N 0 0 192.214 2.075 10 0 AEAERN CCCCC[C@](C)(F)CO 138875018 571757724 /nfs/dbraw/zinc/75/77/24/571757724.db2.gz UAUZAIOTENQPSA-QMMMGPOBSA-N 0 0 148.221 2.287 10 0 AEAERN COc1cc(CO)c(C)cc1Cl 214465844 571757736 /nfs/dbraw/zinc/75/77/36/571757736.db2.gz WNLLLKRYHUZVRJ-UHFFFAOYSA-N 0 0 186.638 2.149 10 0 AEAERN CC1(C)CC(=O)[C@@H]2CC[C@H]1C2 205111188 571757745 /nfs/dbraw/zinc/75/77/45/571757745.db2.gz CUHBLBRSGYCTMT-SFYZADRCSA-N 0 0 152.237 2.402 10 0 AEAERN C[C@@H]1CCc2cccnc21 25920666 571757751 /nfs/dbraw/zinc/75/77/51/571757751.db2.gz WTJXPILYFXGUHE-SSDOTTSWSA-N 0 0 133.194 2.131 10 0 AEAERN CC1(C)CC(=O)[C@H]2CC[C@@H]1C2 205111171 571757783 /nfs/dbraw/zinc/75/77/83/571757783.db2.gz CUHBLBRSGYCTMT-JGVFFNPUSA-N 0 0 152.237 2.402 10 0 AEAERN C[C@H]1CCc2cnccc21 25920358 571757834 /nfs/dbraw/zinc/75/78/34/571757834.db2.gz WSYRVYBGTDLGMV-ZETCQYMHSA-N 0 0 133.194 2.131 10 0 AEAERN COc1c(C)ccc(Cl)c1CO 214466414 571757856 /nfs/dbraw/zinc/75/78/56/571757856.db2.gz REHJHIBPJCEMOR-UHFFFAOYSA-N 0 0 186.638 2.149 10 0 AEAERN CCO[C@H](C)[C@H](O)c1ccc(F)cc1 70829110 571757893 /nfs/dbraw/zinc/75/78/93/571757893.db2.gz XFHKOYHQXIWBBH-KCJUWKMLSA-N 0 0 198.237 2.284 10 0 AEAERN C/C(=C/CO)CC/C=C(\C)CCCO 14823304 571757898 /nfs/dbraw/zinc/75/78/98/571757898.db2.gz IQBYHYQMBCWCQE-SSQAHJBYSA-N 0 0 198.306 2.424 10 0 AEAERN CC1(C)C(=O)C[C@@]2(C)CC[C@@H]12 205109278 571757934 /nfs/dbraw/zinc/75/79/34/571757934.db2.gz NHFFWLSUVUFBKS-OIBJUYFYSA-N 0 0 152.237 2.402 10 0 AEAERN CCO[C@@H](C)[C@@H](O)c1cccc(F)c1 70829311 571757949 /nfs/dbraw/zinc/75/79/49/571757949.db2.gz HOXYWBCVNZWTGC-GZMMTYOYSA-N 0 0 198.237 2.284 10 0 AEAERN CCO[C@@H](C)[C@@H](O)c1ccc(F)cc1 70829113 571758055 /nfs/dbraw/zinc/75/80/55/571758055.db2.gz XFHKOYHQXIWBBH-GZMMTYOYSA-N 0 0 198.237 2.284 10 0 AEAERN C/C=C\c1cc(O)c(OC)c(OC)c1 214450804 571758063 /nfs/dbraw/zinc/75/80/63/571758063.db2.gz JBHSIYWHUIBYPL-PLNGDYQASA-N 0 0 194.230 2.443 10 0 AEAERN CCO[C@@H](C)C(=O)C[C@@H](C)CC 70827820 571758083 /nfs/dbraw/zinc/75/80/83/571758083.db2.gz AZIWHSPDVUSQCA-IUCAKERBSA-N 0 0 172.268 2.417 10 0 AEAERN CCO[C@H](C)[C@@H](O)CCC(C)C 70828664 571758117 /nfs/dbraw/zinc/75/81/17/571758117.db2.gz OFBODMIXFUMIHQ-ZJUUUORDSA-N 0 0 174.284 2.209 10 0 AEAERN CCC/C=C/C=C\C(=O)OC 14616365 571758127 /nfs/dbraw/zinc/75/81/27/571758127.db2.gz MZSLTYYFLBJGRY-MDAAKZFYSA-N 0 0 154.209 2.072 10 0 AEAERN CC[C@@](C)(CC(=O)[O-])[NH+]1CCCCC1 70823283 571758210 /nfs/dbraw/zinc/75/82/10/571758210.db2.gz LGKPTDMCHDJESS-NSHDSACASA-N 0 0 199.294 2.116 10 0 AEAERN OCc1ccccc1SCCF 214454350 571758226 /nfs/dbraw/zinc/75/82/26/571758226.db2.gz FLZNUKGRDZKWEH-UHFFFAOYSA-N 0 0 186.251 2.241 10 0 AEAERN CCO[C@@H](C)C(=O)Cc1ccsc1 70828203 571758306 /nfs/dbraw/zinc/75/83/06/571758306.db2.gz XKIRXFZNFKPRPE-QMMMGPOBSA-N 0 0 198.287 2.285 10 0 AEAERN CC1(C)C(=O)C[C@]2(C)CC[C@@H]12 205109304 571758318 /nfs/dbraw/zinc/75/83/18/571758318.db2.gz NHFFWLSUVUFBKS-XVKPBYJWSA-N 0 0 152.237 2.402 10 0 AEAERN CCO[C@@H](C)[C@@H](O)CCC(C)C 70828661 571758324 /nfs/dbraw/zinc/75/83/24/571758324.db2.gz OFBODMIXFUMIHQ-UWVGGRQHSA-N 0 0 174.284 2.209 10 0 AEAERN CCO[C@H](C)[C@@H](O)c1ccc(F)cc1 70829116 571758368 /nfs/dbraw/zinc/75/83/68/571758368.db2.gz XFHKOYHQXIWBBH-LDYMZIIASA-N 0 0 198.237 2.284 10 0 AEAERN CCO[C@@H](C)[C@H](O)c1ccc(F)cc1 70829106 571758448 /nfs/dbraw/zinc/75/84/48/571758448.db2.gz XFHKOYHQXIWBBH-KWQFWETISA-N 0 0 198.237 2.284 10 0 AEAERN CCC[C@](C)(CC(=O)[O-])[NH+]1CCCC1 70821498 571758472 /nfs/dbraw/zinc/75/84/72/571758472.db2.gz YSLWTQGFRZENOZ-LLVKDONJSA-N 0 0 199.294 2.116 10 0 AEAERN CCC(=O)[C@H](C)[C@@H](O)c1ccccc1 38434751 571758559 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571770024 /nfs/dbraw/zinc/77/00/24/571770024.db2.gz RXGPBYYNLXIKQT-IWSPIJDZSA-N 0 0 156.269 2.297 10 0 AEAERN CCC(CC)Nc1ncccc1N 26516025 571770194 /nfs/dbraw/zinc/77/01/94/571770194.db2.gz WLWHISGHZMOPMP-UHFFFAOYSA-N 0 0 179.267 2.264 10 0 AEAERN C[C@H]1CC[C@@]1(O)Cc1ccc(O)cc1 687799359 571770221 /nfs/dbraw/zinc/77/02/21/571770221.db2.gz ZDAIGZOPUJNNCG-JOYOIKCWSA-N 0 0 192.258 2.096 10 0 AEAERN CC/C=C\[C@@H](NC)C(F)(F)F 18692348 571770257 /nfs/dbraw/zinc/77/02/57/571770257.db2.gz CHTOIKMGUATVEH-WWVFMHICSA-N 0 0 167.174 2.103 10 0 AEAERN S=C1N=NC(C2CCCC2)S1 26549183 571770300 /nfs/dbraw/zinc/77/03/00/571770300.db2.gz LFBRXZIQOFSDIX-UHFFFAOYSA-N 0 0 186.305 2.484 10 0 AEAERN Cc1cc(C2(O)CC2)cc2cc[nH]c12 214484941 571770324 /nfs/dbraw/zinc/77/03/24/571770324.db2.gz QSTNORTYAWGIQO-UHFFFAOYSA-N 0 0 187.242 2.458 10 0 AEAERN O=C1CCC([C@@H]2CCCOC2)CC1 687799297 571770356 /nfs/dbraw/zinc/77/03/56/571770356.db2.gz QYZHHWJOHWDSGS-SNVBAGLBSA-N 0 0 182.263 2.172 10 0 AEAERN CC(C)CCCn1cnnc1Cl 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0 AEAERN CC[C@@H](O)C(=O)c1ccsc1C 233895171 571784983 /nfs/dbraw/zinc/78/49/83/571784983.db2.gz XWQZFLAMSJRVLG-MRVPVSSYSA-N 0 0 184.260 2.010 10 0 AEAERN CC[C@@H](O)C(=O)c1cc(C)ccc1F 233894580 571785019 /nfs/dbraw/zinc/78/50/19/571785019.db2.gz WCISWTRZZAJUCR-SNVBAGLBSA-N 0 0 196.221 2.088 10 0 AEAERN CC1([C@@](C)(O)C[C@@H]2CCCOC2)CC1 689362180 571785036 /nfs/dbraw/zinc/78/50/36/571785036.db2.gz NWBXAXSFSUZLIK-JQWIXIFHSA-N 0 0 198.306 2.354 10 0 AEAERN C[C@@H](C1CC1)[C@@H](O)C[C@@H]1CCCOC1 689363896 571785041 /nfs/dbraw/zinc/78/50/41/571785041.db2.gz NRIRMXPQBSHRFV-NHCYSSNCSA-N 0 0 198.306 2.210 10 0 AEAERN CC[C@H]1OCC[C@H]1C(=O)c1ccc[nH]1 234170951 571785265 /nfs/dbraw/zinc/78/52/65/571785265.db2.gz YFHOOQYTFKGVNW-PSASIEDQSA-N 0 0 193.246 2.013 10 0 AEAERN CC[C@H]1C[C@H]1n1cccc1C=O 234156305 571785274 /nfs/dbraw/zinc/78/52/74/571785274.db2.gz BYRPLKBUODDVBN-WCBMZHEXSA-N 0 0 163.220 2.272 10 0 AEAERN CCc1[nH]c(CC(C)(C)C)nc1O 234169744 571785868 /nfs/dbraw/zinc/78/58/68/571785868.db2.gz VYRIFHKLGWKBQW-UHFFFAOYSA-N 0 0 182.267 2.266 10 0 AEAERN C1=CC[C@H]2CSC[C@@H]2C1 1872932 571785377 /nfs/dbraw/zinc/78/53/77/571785377.db2.gz ASTZLIXTXJMRFI-YUMQZZPRSA-N 0 0 140.251 2.316 10 0 AEAERN CN(C)CC(=O)c1ccccc1 100232418 571785397 /nfs/dbraw/zinc/78/53/97/571785397.db2.gz VKYGTHREOZSKSK-CSKARUKUSA-N 0 0 163.220 2.105 10 0 AEAERN CCOC(=O)N(C)CC=C(C)C 39139318 571785417 /nfs/dbraw/zinc/78/54/17/571785417.db2.gz WOUGNPKEOYHXOP-UHFFFAOYSA-N 0 0 171.240 2.041 10 0 AEAERN CC(C)C[C@H](C)[C@H](O)c1ccnn1C 301013760 571785427 /nfs/dbraw/zinc/78/54/27/571785427.db2.gz ZFKSEWMFVCBDAG-ONGXEEELSA-N 0 0 196.294 2.136 10 0 AEAERN CC(C)[C@@H](CO)Cc1ccccc1 39192481 571785548 /nfs/dbraw/zinc/78/55/48/571785548.db2.gz MOMVXPYYGZAHRC-GFCCVEGCSA-N 0 0 178.275 2.494 10 0 AEAERN C1=CC[C@@H]2CSC[C@H]2C1 1872936 571785804 /nfs/dbraw/zinc/78/58/04/571785804.db2.gz ASTZLIXTXJMRFI-HTQZYQBOSA-N 0 0 140.251 2.316 10 0 AEAERN CC(C)C[C@@H](C)[C@H](O)c1ccnn1C 301013758 571785813 /nfs/dbraw/zinc/78/58/13/571785813.db2.gz ZFKSEWMFVCBDAG-KOLCDFICSA-N 0 0 196.294 2.136 10 0 AEAERN CCC[C@H](O)[C@@H](O)CCC(C)(C)C 200012790 571785832 /nfs/dbraw/zinc/78/58/32/571785832.db2.gz WZYIMGOSIYEOQD-UWVGGRQHSA-N 0 0 188.311 2.335 10 0 AEAERN CC[C@H](C)O[C@H]1CCC(C)(C)[C@H]1O 687800895 571785833 /nfs/dbraw/zinc/78/58/33/571785833.db2.gz JRNLIWFPURANDJ-GUBZILKMSA-N 0 0 186.295 2.351 10 0 AEAERN CC[C@H]1OCC[C@H]1C(=O)c1ccco1 234171927 571785920 /nfs/dbraw/zinc/78/59/20/571785920.db2.gz DSXGCRZLAVZAOI-RKDXNWHRSA-N 0 0 194.230 2.277 10 0 AEAERN C=Cc1c(OC)cc(O)cc1OC 140189599 571785942 /nfs/dbraw/zinc/78/59/42/571785942.db2.gz LHUWFIJCDKAODB-UHFFFAOYSA-N 0 0 180.203 2.052 10 0 AEAERN CC/C=C/C(=O)OC1CCCC1 143203178 571785954 /nfs/dbraw/zinc/78/59/54/571785954.db2.gz KOOJEFYOLQWZDC-FPYGCLRLSA-N 0 0 168.236 2.438 10 0 AEAERN CC[C@H](C)O[C@@H]1CCC(C)(C)[C@@H]1O 687800896 571785956 /nfs/dbraw/zinc/78/59/56/571785956.db2.gz JRNLIWFPURANDJ-IVZWLZJFSA-N 0 0 186.295 2.351 10 0 AEAERN CC[C@@]1(C2CCCCC2)CNC1=O 1995638 571785984 /nfs/dbraw/zinc/78/59/84/571785984.db2.gz LAHHTKGELKMYQK-NSHDSACASA-N 0 0 181.279 2.093 10 0 AEAERN CCc1ccc(CCCON)cc1 19729385 571786021 /nfs/dbraw/zinc/78/60/21/571786021.db2.gz RDAJWZZDGQOLCG-UHFFFAOYSA-N 0 0 179.263 2.072 10 0 AEAERN C1=CN2C=c3ccc(o3)=C2N1 100217580 571786051 /nfs/dbraw/zinc/78/60/51/571786051.db2.gz YABFBYVMTLZQBJ-UHFFFAOYSA-N 0 0 146.149 -0.527 10 0 AEAERN CC1C[C@@H](C)C(O)[C@H](C)C1 1997130 571786106 /nfs/dbraw/zinc/78/61/06/571786106.db2.gz XUKYNHXGHASYPE-OMRMXDSLSA-N 0 0 142.242 2.049 10 0 AEAERN CC[C@]1(C2CCCCC2)CNC1=O 1995639 571786301 /nfs/dbraw/zinc/78/63/01/571786301.db2.gz LAHHTKGELKMYQK-LLVKDONJSA-N 0 0 181.279 2.093 10 0 AEAERN C/C=C/C[C@@H](O)C(C)(C)C 140136013 571786447 /nfs/dbraw/zinc/78/64/47/571786447.db2.gz LAGIHQQIKHKGNQ-HQZHTGGTSA-N 0 0 142.242 2.360 10 0 AEAERN CC[C@H](C)O[C@@H]1CCC(C)(C)[C@H]1O 687800894 571786448 /nfs/dbraw/zinc/78/64/48/571786448.db2.gz JRNLIWFPURANDJ-AEJSXWLSSA-N 0 0 186.295 2.351 10 0 AEAERN CCCCCC[C@]1(C)OC(=O)N=C1N 301014032 571786469 /nfs/dbraw/zinc/78/64/69/571786469.db2.gz MKADFGXQPFRGND-JTQLQIEISA-N 0 0 198.266 2.223 10 0 AEAERN CCc1cc(=S)[nH]c(CC2CC2)n1 234156934 571786524 /nfs/dbraw/zinc/78/65/24/571786524.db2.gz WWQKKHSHFAMRJC-UHFFFAOYSA-N 0 0 194.303 2.280 10 0 AEAERN Nc1cccc(Nc2cccnc2)c1 140125845 571786647 /nfs/dbraw/zinc/78/66/47/571786647.db2.gz CMJXSNIHVCVAEZ-UHFFFAOYSA-N 0 0 185.230 2.407 10 0 AEAERN CC[C@H]1OCC[C@H]1C(=O)c1ccoc1 234172123 571786649 /nfs/dbraw/zinc/78/66/49/571786649.db2.gz ROLFDDYFTCFZMN-NXEZZACHSA-N 0 0 194.230 2.277 10 0 AEAERN CC1C[C@H](C)C(O)[C@@H](C)C1 1997132 571786708 /nfs/dbraw/zinc/78/67/08/571786708.db2.gz XUKYNHXGHASYPE-QXNPHUFVSA-N 0 0 142.242 2.049 10 0 AEAERN CC(C)[C@@H]1CC[C@@H]([C@H](C)O)C1 1868404 571787568 /nfs/dbraw/zinc/78/75/68/571787568.db2.gz XLHVOKIZFAFSCV-IVZWLZJFSA-N 0 0 156.269 2.440 10 0 AEAERN CC[C@@H](O)[C@@H](O)c1cccc(C)c1C 233898798 571786846 /nfs/dbraw/zinc/78/68/46/571786846.db2.gz IWHSMXSDBHWKFM-NEPJUHHUSA-N 0 0 194.274 2.108 10 0 AEAERN CC/C=C\C/C=C/C(=O)OCC 143205503 571786858 /nfs/dbraw/zinc/78/68/58/571786858.db2.gz YJIWDZDTMGROMU-UEPDSTOUSA-N 0 0 168.236 2.462 10 0 AEAERN Cc1cc(CCCCO)ccc1F 19728713 571787582 /nfs/dbraw/zinc/78/75/82/571787582.db2.gz FFEVSRQVLGJZMC-UHFFFAOYSA-N 0 0 182.238 2.449 10 0 AEAERN CCc1occc1C(=O)COC(C)C 234166830 571787122 /nfs/dbraw/zinc/78/71/22/571787122.db2.gz WQBFSMIZKKHVQE-UHFFFAOYSA-N 0 0 196.246 2.450 10 0 AEAERN CC(C)c1cccc(OCCON)c1 19727776 571787156 /nfs/dbraw/zinc/78/71/56/571787156.db2.gz LWPBZAFHFREISI-UHFFFAOYSA-N 0 0 195.262 2.079 10 0 AEAERN C[C@H](O)C[C@@H](C)C(=O)c1ccccc1 39185458 571787159 /nfs/dbraw/zinc/78/71/59/571787159.db2.gz LMLBCYRWCVQZOH-ZJUUUORDSA-N 0 0 192.258 2.276 10 0 AEAERN CCc1nc(N)c2cc(C)ccc2n1 234172635 571787161 /nfs/dbraw/zinc/78/71/61/571787161.db2.gz FMLABPBLXZCZMQ-UHFFFAOYSA-N 0 0 187.246 2.083 10 0 AEAERN CCOC(=O)C/C=C(/C)CC 39184713 571787170 /nfs/dbraw/zinc/78/71/70/571787170.db2.gz ZFLWIBJDUQYYGD-VURMDHGXSA-N 0 0 156.225 2.296 10 0 AEAERN C/C=C/[C@@H](O)CC1CC=CS1 725540369 571787240 /nfs/dbraw/zinc/78/72/40/571787240.db2.gz GQIVRNKHMNWITI-BYDTYLDUSA-N 0 0 169.269 2.496 10 0 AEAERN CC/C=C/C=C/C(C)=C/CO 140182961 571787252 /nfs/dbraw/zinc/78/72/52/571787252.db2.gz UIPJFGTYTWOJAQ-JWVJYVHFSA-N 0 0 152.237 2.447 10 0 AEAERN CCc1nc(-c2ccoc2CC)n[nH]1 234157217 571787284 /nfs/dbraw/zinc/78/72/84/571787284.db2.gz UMIKYYVVGFVDDK-UHFFFAOYSA-N 0 0 191.234 2.190 10 0 AEAERN CC[C@H]1C[C@@H]1n1cccc1C=O 234170860 571787304 /nfs/dbraw/zinc/78/73/04/571787304.db2.gz BYRPLKBUODDVBN-WPRPVWTQSA-N 0 0 163.220 2.272 10 0 AEAERN CCc1nn(C)cc1NC/C=C/Cl 234162289 571787313 /nfs/dbraw/zinc/78/73/13/571787313.db2.gz FQXDZWAKIIEAFO-SNAWJCMRSA-N 0 0 199.685 2.147 10 0 AEAERN CCc1cccc(OC(C)=O)c1 1866908 571787426 /nfs/dbraw/zinc/78/74/26/571787426.db2.gz KAGKFSYVRVNAND-UHFFFAOYSA-N 0 0 164.204 2.174 10 0 AEAERN O=C1C=CCCCC[C@@H]1Cl 39125526 571787490 /nfs/dbraw/zinc/78/74/90/571787490.db2.gz CFRHQSDZGZPPJJ-ZETCQYMHSA-N 0 0 158.628 2.293 10 0 AEAERN CCCCC(O)=CC(=O)SCC 39185360 571787549 /nfs/dbraw/zinc/78/75/49/571787549.db2.gz QDLKEBXUMPJQBU-UHFFFAOYSA-N 0 0 188.292 2.416 10 0 AEAERN CC(C)c1ccccc1OCCNO 19727925 571787698 /nfs/dbraw/zinc/78/76/98/571787698.db2.gz BYYWMVIYAGNKHY-UHFFFAOYSA-N 0 0 195.262 2.168 10 0 AEAERN CCC[C@@H](O)[C@H](O)CCC(C)(C)C 200012754 571787759 /nfs/dbraw/zinc/78/77/59/571787759.db2.gz WZYIMGOSIYEOQD-NXEZZACHSA-N 0 0 188.311 2.335 10 0 AEAERN C[C@@H]1c2ccccc2N(C)C(=O)[C@@H]1C 143179075 571787820 /nfs/dbraw/zinc/78/78/20/571787820.db2.gz WZVLLYXFICXOHL-DTWKUNHWSA-N 0 0 189.258 2.403 10 0 AEAERN CC(C)c1cccc(OCCNO)c1 19727926 571787845 /nfs/dbraw/zinc/78/78/45/571787845.db2.gz ANDNWEXYFYJHNT-UHFFFAOYSA-N 0 0 195.262 2.168 10 0 AEAERN CC1=CCOC(Nc2ccccc2)=N1 140156941 571788057 /nfs/dbraw/zinc/78/80/57/571788057.db2.gz MLRJICOUZJVOEC-UHFFFAOYSA-N 0 0 188.230 2.389 10 0 AEAERN C[C@@H]1CC(=O)[C@H]2CCC[C@@H]2S1 37625777 571788088 /nfs/dbraw/zinc/78/80/88/571788088.db2.gz HCBGNLNIPCVQGA-BHNWBGBOSA-N 0 0 170.277 2.250 10 0 AEAERN C/C=C/[C@@](O)(CC)C(C)C 143130150 571788121 /nfs/dbraw/zinc/78/81/21/571788121.db2.gz UNBFMKIIONVLQL-IWGCBNPKSA-N 0 0 142.242 2.360 10 0 AEAERN CCC(=O)c1c(C)c[nH]c1CC 37624407 571788129 /nfs/dbraw/zinc/78/81/29/571788129.db2.gz LYRBKFFIHKDPQK-UHFFFAOYSA-N 0 0 165.236 2.478 10 0 AEAERN CCONC[C@@H]1CCCC(F)(F)C1 301014634 571788305 /nfs/dbraw/zinc/78/83/05/571788305.db2.gz YHZUOAFHIMRVSE-MRVPVSSYSA-N 0 0 193.237 2.353 10 0 AEAERN CCCCON(Cl)C(=O)CC 39139455 571788307 /nfs/dbraw/zinc/78/83/07/571788307.db2.gz UITLWSIEMMTRIF-UHFFFAOYSA-N 0 0 179.647 2.111 10 0 AEAERN CC[C@@H](OC)c1nc(C)cc(=S)[nH]1 233899477 571788357 /nfs/dbraw/zinc/78/83/57/571788357.db2.gz LKBAMQFOZQFCDZ-SSDOTTSWSA-N 0 0 198.291 2.171 10 0 AEAERN COCNc1ccccc1C 140142044 571788362 /nfs/dbraw/zinc/78/83/62/571788362.db2.gz IQYNGPCFQAUGBS-UHFFFAOYSA-N 0 0 151.209 2.011 10 0 AEAERN C[C@H](NCl)c1ccccc1 2033656 571788384 /nfs/dbraw/zinc/78/83/84/571788384.db2.gz LPTMSYYPRXIMMJ-ZETCQYMHSA-N 0 0 155.628 2.491 10 0 AEAERN c1ccc([C@H]2CS2)cc1 37625660 571788480 /nfs/dbraw/zinc/78/84/80/571788480.db2.gz OQOIYECUXDNABI-MRVPVSSYSA-N 0 0 136.219 2.475 10 0 AEAERN c1ncc2nc(C3CCCC3)[nH]c2n1 140157893 571788487 /nfs/dbraw/zinc/78/84/87/571788487.db2.gz SKVVMHVNJSONSD-UHFFFAOYSA-N 0 0 188.234 2.011 10 0 AEAERN CCC(=O)[C@@H](OC)c1csc(C)n1 687801351 571788490 /nfs/dbraw/zinc/78/84/90/571788490.db2.gz NBTVGWOLYBYULX-VIFPVBQESA-N 0 0 199.275 2.118 10 0 AEAERN C[C@@H]1CC(=O)[C@@H]2CCC[C@@H]2S1 37625775 571788529 /nfs/dbraw/zinc/78/85/29/571788529.db2.gz HCBGNLNIPCVQGA-FJXKBIBVSA-N 0 0 170.277 2.250 10 0 AEAERN CC1(C)CC[C@@H]2CCCC[C@]2(O)C1=O 37624018 571788554 /nfs/dbraw/zinc/78/85/54/571788554.db2.gz BOEDCBIRCRLJGC-JOYOIKCWSA-N 0 0 196.290 2.297 10 0 AEAERN O=C([O-])[C@@H]1CCCCCCCCC[NH2+]1 2035229 571788618 /nfs/dbraw/zinc/78/86/18/571788618.db2.gz NLUJONHBHBECJQ-JTQLQIEISA-N 0 0 199.294 2.164 10 0 AEAERN 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/nfs/dbraw/zinc/79/97/48/571799748.db2.gz ANLNVSWDEOAQHP-UHFFFAOYSA-N 0 0 192.193 2.426 10 0 AEAERN C[C@H]1CCCC[C@]1(O)c1cccnc1 37761205 571799811 /nfs/dbraw/zinc/79/98/11/571799811.db2.gz CNEBIJZKQQMXBB-CMPLNLGQSA-N 0 0 191.274 2.479 10 0 AEAERN CC[C@H](C)[C@@](C)(O)C(C)C 37745621 571799856 /nfs/dbraw/zinc/79/98/56/571799856.db2.gz LTKHKGAPVGSECA-IUCAKERBSA-N 0 0 144.258 2.440 10 0 AEAERN C[C@H]1CCCC[C@@]1(O)c1cccnc1 37761207 571800170 /nfs/dbraw/zinc/80/01/70/571800170.db2.gz CNEBIJZKQQMXBB-JQWIXIFHSA-N 0 0 191.274 2.479 10 0 AEAERN Cc1nc2c(s1)CCCCN2 20383492 571800247 /nfs/dbraw/zinc/80/02/47/571800247.db2.gz DFLPIGHATHMORT-UHFFFAOYSA-N 0 0 168.265 2.200 10 0 AEAERN O=C1Cc2c(ccc3ccccc23)CN1 22010371 571800480 /nfs/dbraw/zinc/80/04/80/571800480.db2.gz LUCPCSJEDVHEON-UHFFFAOYSA-N 0 0 197.237 2.012 10 0 AEAERN CCCC[C@H](CC)c1noc(CN)n1 73640975 571800724 /nfs/dbraw/zinc/80/07/24/571800724.db2.gz RAYYASZAJHSSLH-QMMMGPOBSA-N 0 0 197.282 2.212 10 0 AEAERN CC[C@H](O)CO[C@H]1CCCC[C@H]1C 251109807 571800741 /nfs/dbraw/zinc/80/07/41/571800741.db2.gz TWGWIDSUSCNOKY-VWYCJHECSA-N 0 0 186.295 2.353 10 0 AEAERN CCc1occc1C(=O)[C@@H]1CCOC1 234199781 571800893 /nfs/dbraw/zinc/80/08/93/571800893.db2.gz HKWJYDYDUHGFRH-MRVPVSSYSA-N 0 0 194.230 2.061 10 0 AEAERN CCOCCC(=O)c1ccccc1 39279165 571801032 /nfs/dbraw/zinc/80/10/32/571801032.db2.gz AUOLHXKGWUNYJA-UHFFFAOYSA-N 0 0 178.231 2.296 10 0 AEAERN OC/C=C\Sc1ccccc1 39268545 571801111 /nfs/dbraw/zinc/80/11/11/571801111.db2.gz NYWMOSVTPLUIAN-YWEYNIOJSA-N 0 0 166.245 2.285 10 0 AEAERN CCn1nncc1NC(C)(CC)CC 301021552 571801114 /nfs/dbraw/zinc/80/11/14/571801114.db2.gz ZYIUMLCKWITGPV-UHFFFAOYSA-N 0 0 196.298 2.289 10 0 AEAERN CCO[C@@H]1CC(=O)[C@@H]1c1ccccc1 73733694 571801206 /nfs/dbraw/zinc/80/12/06/571801206.db2.gz GIUOVQIWDFHJCJ-NEPJUHHUSA-N 0 0 190.242 2.148 10 0 AEAERN OCc1cnc2cc(Cl)ccc2c1 72206404 571801213 /nfs/dbraw/zinc/80/12/13/571801213.db2.gz JJBOUUQTEXYDSD-UHFFFAOYSA-N 0 0 193.633 2.381 10 0 AEAERN CC[C@@H]1CCc2oc(C=O)nc2C1 72219837 571801361 /nfs/dbraw/zinc/80/13/61/571801361.db2.gz FYXZOOFKFYTABX-SSDOTTSWSA-N 0 0 179.219 2.002 10 0 AEAERN CCCCC(=O)Cc1ccncc1 39267895 571801437 /nfs/dbraw/zinc/80/14/37/571801437.db2.gz BIQVLKBPKYAXKA-UHFFFAOYSA-N 0 0 177.247 2.383 10 0 AEAERN CCO[C@H]1CC(=O)[C@H]1c1ccccc1 73733701 571801556 /nfs/dbraw/zinc/80/15/56/571801556.db2.gz GIUOVQIWDFHJCJ-NWDGAFQWSA-N 0 0 190.242 2.148 10 0 AEAERN CC[C@H](O)CO[C@@H]1CCCC[C@H]1C 251109803 571801715 /nfs/dbraw/zinc/80/17/15/571801715.db2.gz TWGWIDSUSCNOKY-OUAUKWLOSA-N 0 0 186.295 2.353 10 0 AEAERN Cc1cc(=O)cc(-c2cccnc2)o1 73733735 571801732 /nfs/dbraw/zinc/80/17/32/571801732.db2.gz VNHOXFIGUXHKMK-UHFFFAOYSA-N 0 0 187.198 2.010 10 0 AEAERN CCCC[C@@H](CC)c1noc(CN)n1 73640972 571801946 /nfs/dbraw/zinc/80/19/46/571801946.db2.gz RAYYASZAJHSSLH-MRVPVSSYSA-N 0 0 197.282 2.212 10 0 AEAERN CC[C@@](C)(CC(=O)[O-])[C@@H]1CCCC[NH2+]1 72208384 571801960 /nfs/dbraw/zinc/80/19/60/571801960.db2.gz HAAWUSLZJJOZIP-ONGXEEELSA-N 0 0 199.294 2.020 10 0 AEAERN CCO[C@H]1CC(=O)[C@@H]1c1ccccc1 73733697 571802018 /nfs/dbraw/zinc/80/20/18/571802018.db2.gz GIUOVQIWDFHJCJ-RYUDHWBXSA-N 0 0 190.242 2.148 10 0 AEAERN C/C=C\CCNc1ncc(F)cc1N 401104967 571802358 /nfs/dbraw/zinc/80/23/58/571802358.db2.gz QCUWKTUNJNTDCQ-IHWYPQMZSA-N 0 0 195.241 2.181 10 0 AEAERN CCC[C@@H]1COC[C@@]1(O)[C@@H](C)CC 710887227 571805656 /nfs/dbraw/zinc/80/56/56/571805656.db2.gz ZOILWARZKVWJRO-HBNTYKKESA-N 0 0 186.295 2.210 10 0 AEAERN C[C@](O)(CCC1CC1)c1cccnc1 235723944 571802203 /nfs/dbraw/zinc/80/22/03/571802203.db2.gz SHZCCYZTLWPFAP-LBPRGKRZSA-N 0 0 191.274 2.479 10 0 AEAERN Cc1cc(=O)cc(-c2ccccn2)o1 73733732 571802308 /nfs/dbraw/zinc/80/23/08/571802308.db2.gz YIFDHQXPYWCIRJ-UHFFFAOYSA-N 0 0 187.198 2.010 10 0 AEAERN CCO[C@@H]1CC(=O)[C@H]1c1ccccc1 73733698 571802311 /nfs/dbraw/zinc/80/23/11/571802311.db2.gz GIUOVQIWDFHJCJ-VXGBXAGGSA-N 0 0 190.242 2.148 10 0 AEAERN CCCC(CCC)c1noc(CN)n1 73640994 571802416 /nfs/dbraw/zinc/80/24/16/571802416.db2.gz WWYMUIXLWRYKCQ-UHFFFAOYSA-N 0 0 197.282 2.212 10 0 AEAERN CCOc1cc(CO)cc2occc12 73739761 571802465 /nfs/dbraw/zinc/80/24/65/571802465.db2.gz ZKIDHMVWDMDXKD-UHFFFAOYSA-N 0 0 192.214 2.324 10 0 AEAERN C/C(=C\C(=O)[O-])C[NH2+]CCC(C)(C)C 235723851 571803696 /nfs/dbraw/zinc/80/36/96/571803696.db2.gz JWUIYWVBTPYOTC-VQHVLOKHSA-N 0 0 199.294 2.043 10 0 AEAERN COC(C)(C)[C@@](C)(O)CCC1CC1 301023639 571802701 /nfs/dbraw/zinc/80/27/01/571802701.db2.gz QWQSLCMXUXOPBW-NSHDSACASA-N 0 0 186.295 2.353 10 0 AEAERN CC[C@](C)(CC(=O)[O-])[C@@H]1CCCC[NH2+]1 72208385 571802714 /nfs/dbraw/zinc/80/27/14/571802714.db2.gz HAAWUSLZJJOZIP-GXSJLCMTSA-N 0 0 199.294 2.020 10 0 AEAERN CC[C@](C)(CC(=O)[O-])[C@H]1CCCC[NH2+]1 72208387 571802774 /nfs/dbraw/zinc/80/27/74/571802774.db2.gz HAAWUSLZJJOZIP-MWLCHTKSSA-N 0 0 199.294 2.020 10 0 AEAERN Nc1ccc2c(c1)-c1cc(N)ccc1-2 2577044 571803052 /nfs/dbraw/zinc/80/30/52/571803052.db2.gz FUXIEQVJXMCZDQ-UHFFFAOYSA-N 0 0 182.226 2.498 10 0 AEAERN Cc1cc(=O)cc(-c2ccncc2)o1 73733733 571803092 /nfs/dbraw/zinc/80/30/92/571803092.db2.gz SJNWQWBTBDZFIW-UHFFFAOYSA-N 0 0 187.198 2.010 10 0 AEAERN CCCCCCn1cc(N)ccc1=O 20519761 571803157 /nfs/dbraw/zinc/80/31/57/571803157.db2.gz JBPYZZJVJDTUCH-UHFFFAOYSA-N 0 0 194.278 2.011 10 0 AEAERN C/C=C\Cc1ccccn1 72231197 571803410 /nfs/dbraw/zinc/80/34/10/571803410.db2.gz YKQUHRCKVSSGOQ-IHWYPQMZSA-N 0 0 133.194 2.200 10 0 AEAERN CC[C@H]1CCc2oc(C=O)nc2C1 72219838 571803660 /nfs/dbraw/zinc/80/36/60/571803660.db2.gz FYXZOOFKFYTABX-ZETCQYMHSA-N 0 0 179.219 2.002 10 0 AEAERN OCc1cnc2c(Cl)cccc2c1 72206403 571803819 /nfs/dbraw/zinc/80/38/19/571803819.db2.gz UVIMKEINGZUBCN-UHFFFAOYSA-N 0 0 193.633 2.381 10 0 AEAERN Cc1nc(C2CC2)oc1C 20783421 571804285 /nfs/dbraw/zinc/80/42/85/571804285.db2.gz IESZQNCLMGKDNR-UHFFFAOYSA-N 0 0 137.182 2.169 10 0 AEAERN Cc1ccncc1[C@@H]([NH3+])c1ccccc1 74237631 571808858 /nfs/dbraw/zinc/80/88/58/571808858.db2.gz NBJGXGZAUKFVQL-ZDUSSCGKSA-N 0 0 198.269 2.438 10 0 AEAERN Cc1cc(C)cc([C@H](O)CCCO)c1 235743588 571805164 /nfs/dbraw/zinc/80/51/64/571805164.db2.gz BSTTWRFHEQYSSL-GFCCVEGCSA-N 0 0 194.274 2.109 10 0 AEAERN CCC[C@H]([NH3+])C(=O)c1ccccc1F 74244599 571805324 /nfs/dbraw/zinc/80/53/24/571805324.db2.gz ZNDKBRAUVCMVOZ-JTQLQIEISA-N 0 0 195.237 2.136 10 0 AEAERN CC[C@@H](OC)[C@@H]([NH3+])c1ccc(F)cc1 74239844 571805338 /nfs/dbraw/zinc/80/53/38/571805338.db2.gz FDCYBCMIFOSEOR-MNOVXSKESA-N 0 0 197.253 2.251 10 0 AEAERN CCC[C@H](C)C[C@]1(O)COC[C@@H]1C 710885636 571805479 /nfs/dbraw/zinc/80/54/79/571805479.db2.gz RIGSZECKIZYJBA-DCAQKATOSA-N 0 0 186.295 2.210 10 0 AEAERN CNc1ccc(C2=CCCCC2)nn1 687801864 571805792 /nfs/dbraw/zinc/80/57/92/571805792.db2.gz BKZMHVSHGLNBLY-UHFFFAOYSA-N 0 0 189.262 2.476 10 0 AEAERN CCC[C@H](C)C[C@@]1(O)COC[C@H]1C 710885651 571805925 /nfs/dbraw/zinc/80/59/25/571805925.db2.gz RIGSZECKIZYJBA-HBNTYKKESA-N 0 0 186.295 2.210 10 0 AEAERN CCC[C@@H]1COC[C@@]1(O)[C@H](C)CC 710887222 571805933 /nfs/dbraw/zinc/80/59/33/571805933.db2.gz ZOILWARZKVWJRO-GMTAPVOTSA-N 0 0 186.295 2.210 10 0 AEAERN CCC[C@@H]1COC[C@]1(O)[C@@H](C)CC 710887216 571805948 /nfs/dbraw/zinc/80/59/48/571805948.db2.gz ZOILWARZKVWJRO-AXFHLTTASA-N 0 0 186.295 2.210 10 0 AEAERN CCC[C@H](C)C[C@@]1(O)COC[C@@H]1C 710885648 571805966 /nfs/dbraw/zinc/80/59/66/571805966.db2.gz RIGSZECKIZYJBA-GARJFASQSA-N 0 0 186.295 2.210 10 0 AEAERN CCC[C@@H]1COC[C@]1(O)[C@H](C)CC 710887231 571806144 /nfs/dbraw/zinc/80/61/44/571806144.db2.gz ZOILWARZKVWJRO-MXWKQRLJSA-N 0 0 186.295 2.210 10 0 AEAERN CC[C@H](OC)[C@H]([NH3+])c1ccc(F)cc1 74239840 571806326 /nfs/dbraw/zinc/80/63/26/571806326.db2.gz FDCYBCMIFOSEOR-WDEREUQCSA-N 0 0 197.253 2.251 10 0 AEAERN COC(=O)C=CN[C@H](C)CCC(C)C 234589863 571809965 /nfs/dbraw/zinc/80/99/65/571809965.db2.gz DXQOCKDRVFTUCY-QROSGCPLSA-N 0 0 199.294 2.087 10 0 AEAERN Cc1ccncc1[C@H]([NH3+])c1ccccc1 74237628 571806612 /nfs/dbraw/zinc/80/66/12/571806612.db2.gz NBJGXGZAUKFVQL-CYBMUJFWSA-N 0 0 198.269 2.438 10 0 AEAERN Cn1nccc1[C@H]([NH3+])CCC(C)(C)C 74243045 571806621 /nfs/dbraw/zinc/80/66/21/571806621.db2.gz VMMLCAGFPYJBIP-SECBINFHSA-N 0 0 195.310 2.246 10 0 AEAERN Fc1cccc(-c2ccncc2F)n1 687722446 571806744 /nfs/dbraw/zinc/80/67/44/571806744.db2.gz PEWPPHMYVBAMGE-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN Cc1cc([C@H](O)c2ccccc2)ccn1 200022316 571810059 /nfs/dbraw/zinc/81/00/59/571810059.db2.gz WWXFASNYUOYLET-CYBMUJFWSA-N 0 0 199.253 2.472 10 0 AEAERN CC(C)CCCC[C@@H](C)C(N)=O 39291091 571806771 /nfs/dbraw/zinc/80/67/71/571806771.db2.gz DLPBDNNJLFRCJH-SECBINFHSA-N 0 0 171.284 2.324 10 0 AEAERN CCn1ccnc1C(=O)[C@@H]1CC1(C)C 234202174 571807324 /nfs/dbraw/zinc/80/73/24/571807324.db2.gz MNGORYAJAAINLE-QMMMGPOBSA-N 0 0 192.262 2.132 10 0 AEAERN CC(=O)c1c(C)cc2ccccn12 3204590 571807338 /nfs/dbraw/zinc/80/73/38/571807338.db2.gz XTJODBZJQORDGN-UHFFFAOYSA-N 0 0 173.215 2.450 10 0 AEAERN C[C@H]1S[C@H]1C(=O)Nc1ccccc1 3164149 571807355 /nfs/dbraw/zinc/80/73/55/571807355.db2.gz XZJNKCLVWXJUPD-VXNVDRBHSA-N 0 0 193.271 2.129 10 0 AEAERN CCC[C@@H]([NH3+])C(=O)c1cccc(F)c1 74244605 571807440 /nfs/dbraw/zinc/80/74/40/571807440.db2.gz HDQSTFVRDVORNB-SNVBAGLBSA-N 0 0 195.237 2.136 10 0 AEAERN CN(C)c1ccc(P(C)(C)=O)cc1 3191009 571807542 /nfs/dbraw/zinc/80/75/42/571807542.db2.gz PVPVJMFDTVUUPG-UHFFFAOYSA-N 0 0 197.218 2.001 10 0 AEAERN Cc1cc([C@@H](O)c2ccccc2)ccn1 200022346 571807666 /nfs/dbraw/zinc/80/76/66/571807666.db2.gz WWXFASNYUOYLET-ZDUSSCGKSA-N 0 0 199.253 2.472 10 0 AEAERN COCC(=O)[C@@H](C)c1ccccc1 234592367 571807819 /nfs/dbraw/zinc/80/78/19/571807819.db2.gz IARINVMWYHVBHS-VIFPVBQESA-N 0 0 178.231 2.006 10 0 AEAERN CCC[C@H]([NH3+])C(=O)c1cccc(F)c1 74244603 571807925 /nfs/dbraw/zinc/80/79/25/571807925.db2.gz HDQSTFVRDVORNB-JTQLQIEISA-N 0 0 195.237 2.136 10 0 AEAERN CCC[C@H]([NH3+])C(=O)c1ccc(F)cc1 74244606 571807930 /nfs/dbraw/zinc/80/79/30/571807930.db2.gz OLLSAGICRUNWOK-JTQLQIEISA-N 0 0 195.237 2.136 10 0 AEAERN N[C@H](CCC(F)(F)F)C(F)(F)F 74245572 571808000 /nfs/dbraw/zinc/80/80/00/571808000.db2.gz WRRDCKHMWZWDPQ-GSVOUGTGSA-N 0 0 195.106 2.219 10 0 AEAERN CCCO[C@@]1(C(C)=O)CC[C@H]1C 687722492 571808017 /nfs/dbraw/zinc/80/80/17/571808017.db2.gz LGFRUIDTFDEQPB-SCZZXKLOSA-N 0 0 170.252 2.171 10 0 AEAERN CC[C@@H](OC)[C@H]([NH3+])c1ccc(F)cc1 74239842 571808108 /nfs/dbraw/zinc/80/81/08/571808108.db2.gz FDCYBCMIFOSEOR-GHMZBOCLSA-N 0 0 197.253 2.251 10 0 AEAERN CCc1ccnn1-c1cccc(O)c1 214518102 571808156 /nfs/dbraw/zinc/80/81/56/571808156.db2.gz YLTMJTBTUXLNLJ-UHFFFAOYSA-N 0 0 188.230 2.140 10 0 AEAERN CCCC(=O)c1c(C)nn(C)c1C 3164650 571810123 /nfs/dbraw/zinc/81/01/23/571810123.db2.gz JQXHXFXCIQOFRG-UHFFFAOYSA-N 0 0 180.251 2.020 10 0 AEAERN C[C@@H]1S[C@@H]1C(=O)Nc1ccccc1 3164145 571808169 /nfs/dbraw/zinc/80/81/69/571808169.db2.gz XZJNKCLVWXJUPD-CBAPKCEASA-N 0 0 193.271 2.129 10 0 AEAERN Cc1ccc(NN)cc1CCl 118126047 571808615 /nfs/dbraw/zinc/80/86/15/571808615.db2.gz LGJZTTOXDGWHGN-UHFFFAOYSA-N 0 0 170.643 2.019 10 0 AEAERN CCOC(=O)/C(F)=C\C(C)(C)C 200021651 571808643 /nfs/dbraw/zinc/80/86/43/571808643.db2.gz PZCXJLJARQANBL-VOTSOKGWSA-N 0 0 174.215 2.449 10 0 AEAERN Cc1cc(C)cc([C@@H](O)CCCO)c1 235742469 571808648 /nfs/dbraw/zinc/80/86/48/571808648.db2.gz BSTTWRFHEQYSSL-LBPRGKRZSA-N 0 0 194.274 2.109 10 0 AEAERN CCC[C@@H]([NH3+])C(=O)c1ccc(F)cc1 74244608 571808715 /nfs/dbraw/zinc/80/87/15/571808715.db2.gz OLLSAGICRUNWOK-SNVBAGLBSA-N 0 0 195.237 2.136 10 0 AEAERN CCCCc1noc(C)c1C=O 113290967 571808720 /nfs/dbraw/zinc/80/87/20/571808720.db2.gz RLZFQXGEWLMATI-UHFFFAOYSA-N 0 0 167.208 2.138 10 0 AEAERN C[C@]1(CNc2[nH]cc[nH+]2)CCCS1 235740989 571808764 /nfs/dbraw/zinc/80/87/64/571808764.db2.gz YMQVONYHOUHZOI-SECBINFHSA-N 0 0 197.307 2.107 10 0 AEAERN CCC[C@@H]([NH3+])C(=O)c1ccccc1F 74244601 571808813 /nfs/dbraw/zinc/80/88/13/571808813.db2.gz ZNDKBRAUVCMVOZ-SNVBAGLBSA-N 0 0 195.237 2.136 10 0 AEAERN CCc1occc1C(=O)[C@H]1CCOC1 234202172 571808821 /nfs/dbraw/zinc/80/88/21/571808821.db2.gz HKWJYDYDUHGFRH-QMMMGPOBSA-N 0 0 194.230 2.061 10 0 AEAERN CC[C@H](OC)[C@@H]([NH3+])c1ccc(F)cc1 74239843 571808939 /nfs/dbraw/zinc/80/89/39/571808939.db2.gz FDCYBCMIFOSEOR-QWRGUYRKSA-N 0 0 197.253 2.251 10 0 AEAERN Cn1nccc1[C@@H]([NH3+])CCC(C)(C)C 74243044 571809053 /nfs/dbraw/zinc/80/90/53/571809053.db2.gz VMMLCAGFPYJBIP-VIFPVBQESA-N 0 0 195.310 2.246 10 0 AEAERN C[C@@H]1S[C@H]1C(=O)Nc1ccccc1 3164148 571809415 /nfs/dbraw/zinc/80/94/15/571809415.db2.gz XZJNKCLVWXJUPD-IONNQARKSA-N 0 0 193.271 2.129 10 0 AEAERN C[C@H]1S[C@@H]1C(=O)Nc1ccccc1 3164147 571809520 /nfs/dbraw/zinc/80/95/20/571809520.db2.gz XZJNKCLVWXJUPD-APPZFPTMSA-N 0 0 193.271 2.129 10 0 AEAERN CCCO[C@]1(C(C)=O)CC[C@@H]1C 687722493 571809622 /nfs/dbraw/zinc/80/96/22/571809622.db2.gz LGFRUIDTFDEQPB-WCBMZHEXSA-N 0 0 170.252 2.171 10 0 AEAERN CCc1ccnn1-c1ccc(O)cc1 214517944 571809674 /nfs/dbraw/zinc/80/96/74/571809674.db2.gz SJKFNQHYKKWSAQ-UHFFFAOYSA-N 0 0 188.230 2.140 10 0 AEAERN CCCO[C@@]1(C(C)=O)CC[C@@H]1C 687722496 571810717 /nfs/dbraw/zinc/81/07/17/571810717.db2.gz LGFRUIDTFDEQPB-WPRPVWTQSA-N 0 0 170.252 2.171 10 0 AEAERN CCC(=O)NCCCCC(C)C 74600187 571810822 /nfs/dbraw/zinc/81/08/22/571810822.db2.gz ZXOKNOKSZUDFII-UHFFFAOYSA-N 0 0 171.284 2.339 10 0 AEAERN COC(=O)/C=C/S[C@H](C)C(C)C 234602395 571811019 /nfs/dbraw/zinc/81/10/19/571811019.db2.gz VFSVBQQJTUNIQV-HQZHTGGTSA-N 0 0 188.292 2.451 10 0 AEAERN CCC(=O)[C@@H](C)[N@H+](C)C(C)(C)C 143437669 571811025 /nfs/dbraw/zinc/81/10/25/571811025.db2.gz GRCYGJNVXJTDJX-MRVPVSSYSA-N 0 0 171.284 2.084 10 0 AEAERN Cc1ccc2cc[nH]c2c1N 205190947 571811328 /nfs/dbraw/zinc/81/13/28/571811328.db2.gz NYBCOQCUBWNMIL-UHFFFAOYSA-N 0 0 146.193 2.059 10 0 AEAERN CCOC(=O)N(C)CC(C)(C)C 74597139 571811343 /nfs/dbraw/zinc/81/13/43/571811343.db2.gz XPUKSTVCHUEYFL-UHFFFAOYSA-N 0 0 173.256 2.121 10 0 AEAERN COCC(=O)[C@H](C)c1ccccc1 234593487 571811803 /nfs/dbraw/zinc/81/18/03/571811803.db2.gz IARINVMWYHVBHS-SECBINFHSA-N 0 0 178.231 2.006 10 0 AEAERN CCCN1C(=S)NC(C)(C)C=C1C 3630931 571811926 /nfs/dbraw/zinc/81/19/26/571811926.db2.gz NLYVRFUYRUHARD-UHFFFAOYSA-N 0 0 198.335 2.269 10 0 AEAERN CC[C@](OC)(C(C)=O)C(C)C 687722497 571812163 /nfs/dbraw/zinc/81/21/63/571812163.db2.gz LIPPGVSYRNFJRS-SECBINFHSA-N 0 0 158.241 2.027 10 0 AEAERN COC(=O)NCCCCC(C)C 74600211 571812286 /nfs/dbraw/zinc/81/22/86/571812286.db2.gz YIYICSHQVZVSCO-UHFFFAOYSA-N 0 0 173.256 2.169 10 0 AEAERN COC(=O)/C=C\C=C/c1ccccc1 200027956 571812413 /nfs/dbraw/zinc/81/24/13/571812413.db2.gz OXWQBUHCJNXFLV-OZDSWYPASA-N 0 0 188.226 2.429 10 0 AEAERN CC[C@@](OC)(C(C)=O)C(C)C 687722498 571812619 /nfs/dbraw/zinc/81/26/19/571812619.db2.gz LIPPGVSYRNFJRS-VIFPVBQESA-N 0 0 158.241 2.027 10 0 AEAERN c1cc2c3c(c1)ccn3CCCN2 3609940 571812679 /nfs/dbraw/zinc/81/26/79/571812679.db2.gz JTIUNDJPUKNFER-UHFFFAOYSA-N 0 0 172.231 2.457 10 0 AEAERN CC[C@@]1(c2ccccc2)CCC(=O)N1 3638573 571812778 /nfs/dbraw/zinc/81/27/78/571812778.db2.gz JTSAWYFWKYGLHL-LBPRGKRZSA-N 0 0 189.258 2.202 10 0 AEAERN CC(C)CCCCNC(=O)C1CC1 74600190 571812845 /nfs/dbraw/zinc/81/28/45/571812845.db2.gz SOGIIBGVQYDXMG-UHFFFAOYSA-N 0 0 183.295 2.339 10 0 AEAERN CC[C@]1(c2ccccc2)CCC(=O)N1 3638574 571813335 /nfs/dbraw/zinc/81/33/35/571813335.db2.gz JTSAWYFWKYGLHL-GFCCVEGCSA-N 0 0 189.258 2.202 10 0 AEAERN CNc1cn(-c2ccccc2)nc1C 3622840 571813776 /nfs/dbraw/zinc/81/37/76/571813776.db2.gz XSSYQASBFGMJRY-UHFFFAOYSA-N 0 0 187.246 2.222 10 0 AEAERN COC(=O)/C=C/SCCC(C)C 234602000 571813844 /nfs/dbraw/zinc/81/38/44/571813844.db2.gz GQGAIRAUOJLPGJ-FNORWQNLSA-N 0 0 188.292 2.452 10 0 AEAERN COC(=O)/C=C/S[C@@H](C)C(C)C 234602189 571814254 /nfs/dbraw/zinc/81/42/54/571814254.db2.gz VFSVBQQJTUNIQV-GJIOHYHPSA-N 0 0 188.292 2.451 10 0 AEAERN CC(C)[C@H](C[C@@H]1CCCO1)[C@H](C)O 251355895 571814255 /nfs/dbraw/zinc/81/42/55/571814255.db2.gz UJGLTHDPVWIVFQ-DCAQKATOSA-N 0 0 186.295 2.209 10 0 AEAERN CCCC[C@H]1[C@@H]2C(=O)CC[C@@H]21 27835123 571815788 /nfs/dbraw/zinc/81/57/88/571815788.db2.gz BGMFGRDZCYFRDC-MRTMQBJTSA-N 0 0 152.237 2.402 10 0 AEAERN CC[C@@H](CC(=O)[O-])[N@@H+]1CCCC[C@H]1C 251329050 571814301 /nfs/dbraw/zinc/81/43/01/571814301.db2.gz IETOVWVFEFZOMT-ZJUUUORDSA-N 0 0 199.294 2.114 10 0 AEAERN CC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(=O)[O-] 251358905 571814319 /nfs/dbraw/zinc/81/43/19/571814319.db2.gz ONMFRCRRPLHRSI-AEJSXWLSSA-N 0 0 199.294 2.018 10 0 AEAERN COC(=O)/C=C/Sc1ccoc1C 234602668 571814324 /nfs/dbraw/zinc/81/43/24/571814324.db2.gz NRHIFOPUMLDCLS-GQCTYLIASA-N 0 0 198.243 2.367 10 0 AEAERN CN[C@@H](C(F)F)[C@@H]1Cc2ccccc21 687802180 571815723 /nfs/dbraw/zinc/81/57/23/571815723.db2.gz CMBVPVHDKUIEAT-NXEZZACHSA-N 0 0 197.228 2.179 10 0 AEAERN CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C(=O)[O-] 251358906 571814685 /nfs/dbraw/zinc/81/46/85/571814685.db2.gz ONMFRCRRPLHRSI-IVZWLZJFSA-N 0 0 199.294 2.018 10 0 AEAERN CN[C@@H](C(F)F)[C@H]1Cc2ccccc21 687802182 571814726 /nfs/dbraw/zinc/81/47/26/571814726.db2.gz CMBVPVHDKUIEAT-VHSXEESVSA-N 0 0 197.228 2.179 10 0 AEAERN CC(C)[C@H](C[C@H]1CCCO1)[C@H](C)O 251355894 571814772 /nfs/dbraw/zinc/81/47/72/571814772.db2.gz UJGLTHDPVWIVFQ-AXFHLTTASA-N 0 0 186.295 2.209 10 0 AEAERN CCCNC(=O)N[C@@H](C)c1ccco1 74904413 571814839 /nfs/dbraw/zinc/81/48/39/571814839.db2.gz AKLPNQJUEIFBBI-QMMMGPOBSA-N 0 0 196.250 2.050 10 0 AEAERN CCCC[C@H](C)n1ccc(N)n1 67799527 571815412 /nfs/dbraw/zinc/81/54/12/571815412.db2.gz GLJKYUNGACPJFQ-QMMMGPOBSA-N 0 0 167.256 2.217 10 0 AEAERN CC[C@H](CC(=O)[O-])[N@@H+]1CCCC[C@H]1C 251329047 571815564 /nfs/dbraw/zinc/81/55/64/571815564.db2.gz IETOVWVFEFZOMT-NXEZZACHSA-N 0 0 199.294 2.114 10 0 AEAERN C[C@@H](N=O)C(=O)c1ccccc1 3875822 571815629 /nfs/dbraw/zinc/81/56/29/571815629.db2.gz IMHHVLKOGFPUTE-SSDOTTSWSA-N 0 0 163.176 2.024 10 0 AEAERN COc1cncc([C@@H](O)C(C)C)c1C 687654003 571815770 /nfs/dbraw/zinc/81/57/70/571815770.db2.gz ZJCXNTSMYPPTOO-NSHDSACASA-N 0 0 195.262 2.088 10 0 AEAERN CCCO[C@]1(C(C)=O)CC[C@H]1C 687722489 571815780 /nfs/dbraw/zinc/81/57/80/571815780.db2.gz LGFRUIDTFDEQPB-PSASIEDQSA-N 0 0 170.252 2.171 10 0 AEAERN CC1(C)[C@@H]2C=C[C@@]1(C)C(=O)C2 3650160 571815878 /nfs/dbraw/zinc/81/58/78/571815878.db2.gz BQJYIYRCGDNPLN-XCBNKYQSSA-N 0 0 150.221 2.178 10 0 AEAERN CCCC[C@H](C)n1cc(N)cn1 67799554 571818087 /nfs/dbraw/zinc/81/80/87/571818087.db2.gz SXKSVUUHPBGLJS-QMMMGPOBSA-N 0 0 167.256 2.217 10 0 AEAERN CN[C@H](C(F)F)[C@@H]1Cc2ccccc21 687802183 571816151 /nfs/dbraw/zinc/81/61/51/571816151.db2.gz CMBVPVHDKUIEAT-ZJUUUORDSA-N 0 0 197.228 2.179 10 0 AEAERN C=C(Cl)C(=O)N(C)C[C@@H](C)CC 401120370 571816314 /nfs/dbraw/zinc/81/63/14/571816314.db2.gz IIYHLLDCUYDESM-ZETCQYMHSA-N 0 0 189.686 2.243 10 0 AEAERN CCOc1ccccc1OC(C)=O 39373692 571816567 /nfs/dbraw/zinc/81/65/67/571816567.db2.gz HLPBHWMIZHQNRC-UHFFFAOYSA-N 0 0 180.203 2.011 10 0 AEAERN CC[C@H]1CCC[N@@H+]1[C@H](C)CCC(=O)[O-] 251823569 571819194 /nfs/dbraw/zinc/81/91/94/571819194.db2.gz PKMNVYBIAAAOHQ-ZJUUUORDSA-N 0 0 199.294 2.114 10 0 AEAERN CCc1ccc(CNC(=O)OC)cc1 74985988 571816673 /nfs/dbraw/zinc/81/66/73/571816673.db2.gz RACOSVOIXJQHFG-UHFFFAOYSA-N 0 0 193.246 2.105 10 0 AEAERN Cc1ccc(C(=O)C(F)(F)F)n1C 39055205 571816756 /nfs/dbraw/zinc/81/67/56/571816756.db2.gz GTWBGOXDOHVOJR-UHFFFAOYSA-N 0 0 191.152 2.079 10 0 AEAERN S=C1CC2(CCCCC2)CN1 3817292 571816924 /nfs/dbraw/zinc/81/69/24/571816924.db2.gz VQISVGCZRGIOFD-UHFFFAOYSA-N 0 0 169.293 2.258 10 0 AEAERN CC(C)Cc1ccc(C(=O)C=O)cc1 75579811 571821039 /nfs/dbraw/zinc/82/10/39/571821039.db2.gz JKKRCQVPHWCBRO-UHFFFAOYSA-N 0 0 190.242 2.267 10 0 AEAERN O=C1CC[C@]2(CN1)C[C@H]1CC[C@H](C1)C2 710929114 571821581 /nfs/dbraw/zinc/82/15/81/571821581.db2.gz GJVLMNIRCJGKKB-PEGIJTEDSA-N 0 0 193.290 2.093 10 0 AEAERN CC[C@H](C)OCc1ccc(C=O)o1 75575937 571821586 /nfs/dbraw/zinc/82/15/86/571821586.db2.gz MYWUBIAETHJFDE-QMMMGPOBSA-N 0 0 182.219 2.407 10 0 AEAERN Cc1ccc(-c2cc(C)c(N)nn2)cc1 75601343 571821594 /nfs/dbraw/zinc/82/15/94/571821594.db2.gz QZWIOALUIGZLLO-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1ncn(Nc2ccccc2)c1C 3641468 571817376 /nfs/dbraw/zinc/81/73/76/571817376.db2.gz MFDCGDVOOOUFQR-UHFFFAOYSA-N 0 0 187.246 2.375 10 0 AEAERN CCN(CC)c1csc(C=O)c1 75548233 571821597 /nfs/dbraw/zinc/82/15/97/571821597.db2.gz QRGJZJOZYJHSJF-UHFFFAOYSA-N 0 0 183.276 2.407 10 0 AEAERN Cc1ccc([C@@H](O)c2ccccc2)nc1 75870431 571817549 /nfs/dbraw/zinc/81/75/49/571817549.db2.gz KGRPOLILFIACND-ZDUSSCGKSA-N 0 0 199.253 2.472 10 0 AEAERN Cc1ccc([C@H](O)c2ccccc2)nc1 75870430 571818036 /nfs/dbraw/zinc/81/80/36/571818036.db2.gz KGRPOLILFIACND-CYBMUJFWSA-N 0 0 199.253 2.472 10 0 AEAERN C[C@H](N=O)C(=O)c1ccccc1 3875821 571818074 /nfs/dbraw/zinc/81/80/74/571818074.db2.gz IMHHVLKOGFPUTE-ZETCQYMHSA-N 0 0 163.176 2.024 10 0 AEAERN CN[C@H](C(F)F)[C@H]1Cc2ccccc21 687802181 571818107 /nfs/dbraw/zinc/81/81/07/571818107.db2.gz CMBVPVHDKUIEAT-UWVGGRQHSA-N 0 0 197.228 2.179 10 0 AEAERN CCC(=O)NCc1ccc(CC)cc1 74985970 571818114 /nfs/dbraw/zinc/81/81/14/571818114.db2.gz QRGHPJFDJYSWGN-UHFFFAOYSA-N 0 0 191.274 2.275 10 0 AEAERN N[C@H](C(F)F)C1(c2ccccc2)CC1 687802216 571821523 /nfs/dbraw/zinc/82/15/23/571821523.db2.gz IDVQQHQIQNDEDR-SECBINFHSA-N 0 0 197.228 2.311 10 0 AEAERN CCn1nccc1C(=O)[C@@H]1CC1(C)C 234203425 571818222 /nfs/dbraw/zinc/81/82/22/571818222.db2.gz VEVNKPGGDLCVPB-QMMMGPOBSA-N 0 0 192.262 2.132 10 0 AEAERN CCCC(=O)N[C@H]1CC[C@H](C)[C@@H]1C 84876952 571821622 /nfs/dbraw/zinc/82/16/22/571821622.db2.gz GAEOXVCCXMNROF-GUBZILKMSA-N 0 0 183.295 2.337 10 0 AEAERN CCCNC(=O)N[C@H](C)c1ccco1 74904414 571818418 /nfs/dbraw/zinc/81/84/18/571818418.db2.gz AKLPNQJUEIFBBI-MRVPVSSYSA-N 0 0 196.250 2.050 10 0 AEAERN CCCCCC[C@H](O)COCC 39398298 571818525 /nfs/dbraw/zinc/81/85/25/571818525.db2.gz SCLGMYHFRRWRMC-JTQLQIEISA-N 0 0 174.284 2.354 10 0 AEAERN c1ccc(-c2noc3c2CCN3)cc1 3704104 571818571 /nfs/dbraw/zinc/81/85/71/571818571.db2.gz NINSGOAADFYSKI-UHFFFAOYSA-N 0 0 186.214 2.310 10 0 AEAERN CC1=C[C@H]2[C@@H](C[C@H]1CO)C2(C)C 3921429 571818599 /nfs/dbraw/zinc/81/85/99/571818599.db2.gz LUYUYAZOPRAIRX-LPEHRKFASA-N 0 0 166.264 2.217 10 0 AEAERN O=c1cc(S)c2ccccc2o1 3921148 571818624 /nfs/dbraw/zinc/81/86/24/571818624.db2.gz GKOAXVOTAHPIGQ-UHFFFAOYSA-N 0 0 178.212 2.082 10 0 AEAERN CCn1nccc1C(=O)[C@H]1CC1(C)C 234204247 571818675 /nfs/dbraw/zinc/81/86/75/571818675.db2.gz VEVNKPGGDLCVPB-MRVPVSSYSA-N 0 0 192.262 2.132 10 0 AEAERN CC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C 4537990 571822807 /nfs/dbraw/zinc/82/28/07/571822807.db2.gz NWFBXENNWJYNPD-PRQTWWFRSA-N 0 0 150.221 2.034 10 0 AEAERN CCC[C@@H](NO)c1ccc(O)c(F)c1 388661172 571822869 /nfs/dbraw/zinc/82/28/69/571822869.db2.gz CTJASHCKOVMWMD-SECBINFHSA-N 0 0 199.225 2.351 10 0 AEAERN COc1cncc([C@H](O)C(C)C)c1C 687654002 571819161 /nfs/dbraw/zinc/81/91/61/571819161.db2.gz ZJCXNTSMYPPTOO-LLVKDONJSA-N 0 0 195.262 2.088 10 0 AEAERN CCCCCC[C@@H](O)COCC 39398299 571819342 /nfs/dbraw/zinc/81/93/42/571819342.db2.gz SCLGMYHFRRWRMC-SNVBAGLBSA-N 0 0 174.284 2.354 10 0 AEAERN O[C@H](C(F)F)[C@@H]1CCc2ccccc21 687802227 571819359 /nfs/dbraw/zinc/81/93/59/571819359.db2.gz STNDYDIKDPCJBQ-ZJUUUORDSA-N 0 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WEJSIMPWEOUMJB-SCZZXKLOSA-N 0 0 154.253 2.360 10 0 AEAERN CC(C)(O)[C@]12CCC[C@H](O)[C@@H]1CCC2 38338978 571843583 /nfs/dbraw/zinc/84/35/83/571843583.db2.gz WPSHMNVQRDVMFT-JBLDHEPKSA-N 0 0 198.306 2.089 10 0 AEAERN CCOCCCCCOCC 28278463 571843629 /nfs/dbraw/zinc/84/36/29/571843629.db2.gz NSLVQPIAOXUOQD-UHFFFAOYSA-N 0 0 160.257 2.230 10 0 AEAERN CC1=CC(=O)N[C@@H](c2ccccc2)C1 38337380 571843697 /nfs/dbraw/zinc/84/36/97/571843697.db2.gz VZJZELHDXIOGPY-LLVKDONJSA-N 0 0 187.242 2.194 10 0 AEAERN CC[C@@H]1C[C@H]1Nc1cnc(C)c(C)n1 233916027 571843713 /nfs/dbraw/zinc/84/37/13/571843713.db2.gz ZHADPDMVWJEYBH-NXEZZACHSA-N 0 0 191.278 2.304 10 0 AEAERN CC(C)(C)NC1=NC(=O)CCC1(C)C 38338943 571843719 /nfs/dbraw/zinc/84/37/19/571843719.db2.gz HNSPBOLNFTYYCG-UHFFFAOYSA-N 0 0 196.294 2.120 10 0 AEAERN CC1=NC[C@@H](c2ccccc2)O1 38337423 571843729 /nfs/dbraw/zinc/84/37/29/571843729.db2.gz LZASILNCWXCXGA-JTQLQIEISA-N 0 0 161.204 2.176 10 0 AEAERN CO[C@H](CO)c1ccc(Cl)cc1 38312568 571843744 /nfs/dbraw/zinc/84/37/44/571843744.db2.gz JSUOBGWEMCAUOO-SECBINFHSA-N 0 0 186.638 2.020 10 0 AEAERN C/C=C\NC(=O)CCc1ccccc1 38338818 571843790 /nfs/dbraw/zinc/84/37/90/571843790.db2.gz YOPRWVYNCNAELR-SGAXSIHGSA-N 0 0 189.258 2.269 10 0 AEAERN CC1=CC(=O)N[C@H](c2ccccc2)C1 38337379 571843817 /nfs/dbraw/zinc/84/38/17/571843817.db2.gz VZJZELHDXIOGPY-NSHDSACASA-N 0 0 187.242 2.194 10 0 AEAERN C[C@@H]1[C@H](O)CC[C@H]2CC(=O)CC[C@]21C 38350700 571843864 /nfs/dbraw/zinc/84/38/64/571843864.db2.gz CZRBQQCNSXQPSY-DMWPJOQESA-N 0 0 196.290 2.153 10 0 AEAERN CC1=C[C@H](c2ccccc2)NC(=O)C1 38337377 571844037 /nfs/dbraw/zinc/84/40/37/571844037.db2.gz NLYDEXIDIZXVLT-LLVKDONJSA-N 0 0 187.242 2.194 10 0 AEAERN CC1(C)C[C@@H]2CC(=O)[C@H]1C2 5762511 571847854 /nfs/dbraw/zinc/84/78/54/571847854.db2.gz FKHXZEXCJTWMDL-NKWVEPMBSA-N 0 0 138.210 2.012 10 0 AEAERN COP(=O)(OC)O/C=C/Cl 5701237 571844127 /nfs/dbraw/zinc/84/41/27/571844127.db2.gz DAGDSDBQVXQBAS-ONEGZZNKSA-N 0 0 186.531 2.114 10 0 AEAERN CC1=C[C@@H]2CC[C@@]1(O)C2(C)C 38324829 571844129 /nfs/dbraw/zinc/84/41/29/571844129.db2.gz ZCLFHWDDEMMNFT-WPRPVWTQSA-N 0 0 152.237 2.114 10 0 AEAERN CC(=O)[C@]1(C)CC=CCC1 5712910 571844148 /nfs/dbraw/zinc/84/41/48/571844148.db2.gz CFFJRLJEFATANF-SECBINFHSA-N 0 0 138.210 2.322 10 0 AEAERN CCc1occc1[C@H](O)CC 233912449 571844195 /nfs/dbraw/zinc/84/41/95/571844195.db2.gz GLUUSFUARGLLFT-MRVPVSSYSA-N 0 0 154.209 2.285 10 0 AEAERN OCCCC=C1SCCCS1 38325146 571844196 /nfs/dbraw/zinc/84/41/96/571844196.db2.gz RIFAUIIKGOHXEN-UHFFFAOYSA-N 0 0 190.333 2.470 10 0 AEAERN Cc1cn(C[C@H](C)O)c2c1CCCC2 5712375 571844200 /nfs/dbraw/zinc/84/42/00/571844200.db2.gz UUFRATQHJGGFDW-JTQLQIEISA-N 0 0 193.290 2.056 10 0 AEAERN Nc1ccc(Cl)c2c1CCCC2=O 38325217 571844276 /nfs/dbraw/zinc/84/42/76/571844276.db2.gz KAIAYDWTRGKUOY-UHFFFAOYSA-N 0 0 195.649 2.441 10 0 AEAERN CC[C@H](Cc1ccccc1)NN(C)C 213942287 571848404 /nfs/dbraw/zinc/84/84/04/571848404.db2.gz UBCYVUJRKIDBAC-GFCCVEGCSA-N 0 0 192.306 2.074 10 0 AEAERN CCOCCC[C@@]1(O)CCC1(C)C 689376593 571844328 /nfs/dbraw/zinc/84/43/28/571844328.db2.gz CWXZCOVYIQDJLX-LLVKDONJSA-N 0 0 186.295 2.354 10 0 AEAERN CC(=O)[C@@]1(C)CC=CCC1 5712668 571844344 /nfs/dbraw/zinc/84/43/44/571844344.db2.gz CFFJRLJEFATANF-VIFPVBQESA-N 0 0 138.210 2.322 10 0 AEAERN CCCCCCn1nc(N)cc1C 67799924 571844348 /nfs/dbraw/zinc/84/43/48/571844348.db2.gz VKBYVGRUDWCWQC-UHFFFAOYSA-N 0 0 181.283 2.354 10 0 AEAERN O[C@H]1CCCC[C@@H]1Cc1ccccn1 38337456 571844380 /nfs/dbraw/zinc/84/43/80/571844380.db2.gz RTLJVKSCHRSMRV-PWSUYJOCSA-N 0 0 191.274 2.175 10 0 AEAERN CCc1c(N)ccc2cccnc12 38350398 571844451 /nfs/dbraw/zinc/84/44/51/571844451.db2.gz DFSYTFNHIGFFNT-UHFFFAOYSA-N 0 0 172.231 2.379 10 0 AEAERN C[C@@H]1C[C@H](O)O[C@@H]1c1ccccc1 38350454 571844513 /nfs/dbraw/zinc/84/45/13/571844513.db2.gz HWPJGTCCHRUBAS-IEBDPFPHSA-N 0 0 178.231 2.103 10 0 AEAERN CCc1[nH]c(=O)cc2ccccc12 38338542 571844620 /nfs/dbraw/zinc/84/46/20/571844620.db2.gz NBSZNNGWAMRRQN-UHFFFAOYSA-N 0 0 173.215 2.091 10 0 AEAERN CC(C)(C)[C@@H]1NC(=O)N[C@H]1C(C)(C)C 38338979 571844625 /nfs/dbraw/zinc/84/46/25/571844625.db2.gz GDHPBQQRHOHXOT-HTQZYQBOSA-N 0 0 198.310 2.129 10 0 AEAERN Cc1cn(C[C@@H](C)O)c2c1CCCC2 5712372 571844779 /nfs/dbraw/zinc/84/47/79/571844779.db2.gz UUFRATQHJGGFDW-SNVBAGLBSA-N 0 0 193.290 2.056 10 0 AEAERN O[C@H]1CCCC[C@H]1Cc1ccccn1 38337455 571844789 /nfs/dbraw/zinc/84/47/89/571844789.db2.gz RTLJVKSCHRSMRV-JQWIXIFHSA-N 0 0 191.274 2.175 10 0 AEAERN NC(=O)OCc1coc2ccccc12 38350623 571844796 /nfs/dbraw/zinc/84/47/96/571844796.db2.gz MPRNUEQYUBAQBW-UHFFFAOYSA-N 0 0 191.186 2.028 10 0 AEAERN Cc1cc(NN)c(C)c2ncccc12 38434560 571848805 /nfs/dbraw/zinc/84/88/05/571848805.db2.gz UAXVYKIHLYKHCV-UHFFFAOYSA-N 0 0 187.246 2.137 10 0 AEAERN O=C1O[C@H]2C=CCC[C@H]2/C1=C/Cl 5722326 571844928 /nfs/dbraw/zinc/84/49/28/571844928.db2.gz QEHRPXKZKVMNDU-SACCCDBLSA-N 0 0 184.622 2.001 10 0 AEAERN C[C@@H]1CN(Cc2ccccc2)C(=O)O1 38350625 571844964 /nfs/dbraw/zinc/84/49/64/571844964.db2.gz HWVPGROXODZQNT-SECBINFHSA-N 0 0 191.230 2.027 10 0 AEAERN O=C1Nc2ccc(Cl)cc2CO1 38350519 571845023 /nfs/dbraw/zinc/84/50/23/571845023.db2.gz QTWPCRPGYSNPDQ-UHFFFAOYSA-N 0 0 183.594 2.402 10 0 AEAERN C[C@H]1CN(Cc2ccccc2)C(=O)O1 38350626 571845072 /nfs/dbraw/zinc/84/50/72/571845072.db2.gz HWVPGROXODZQNT-VIFPVBQESA-N 0 0 191.230 2.027 10 0 AEAERN CCOC(=O)N(CC1CC1)CC1CC1 78831392 571849190 /nfs/dbraw/zinc/84/91/90/571849190.db2.gz PHILQAJWQNXDNY-UHFFFAOYSA-N 0 0 197.278 2.265 10 0 AEAERN CO[C@@H](CO)c1ccc(Cl)cc1 38312566 571845222 /nfs/dbraw/zinc/84/52/22/571845222.db2.gz JSUOBGWEMCAUOO-VIFPVBQESA-N 0 0 186.638 2.020 10 0 AEAERN Cc1ncc(C2(O)CC(C)(C)C2)s1 687852146 571845505 /nfs/dbraw/zinc/84/55/05/571845505.db2.gz MYTUXOYXEBMDHV-UHFFFAOYSA-N 0 0 197.303 2.459 10 0 AEAERN CC[C@@H]1CCCC[C@H]1C(=O)[C@@H](C)O 233913524 571845731 /nfs/dbraw/zinc/84/57/31/571845731.db2.gz QXBWWZLHDIQRHQ-OPRDCNLKSA-N 0 0 184.279 2.153 10 0 AEAERN COC1(CC(=O)c2cc[nH]c2)CCC1 234644851 571845738 /nfs/dbraw/zinc/84/57/38/571845738.db2.gz MFFZGXNRGMCFDH-UHFFFAOYSA-N 0 0 193.246 2.157 10 0 AEAERN CC[C@@H]1C[C@H]1Nc1ccnc(OC)c1 233915827 571845759 /nfs/dbraw/zinc/84/57/59/571845759.db2.gz FKDHOILBGANHFO-PSASIEDQSA-N 0 0 192.262 2.301 10 0 AEAERN CC1=CSC([C@@H](NN)C(C)(C)C)C1 725564661 571845814 /nfs/dbraw/zinc/84/58/14/571845814.db2.gz JAALSGZNPQFFRB-SECBINFHSA-N 0 0 199.343 2.437 10 0 AEAERN CC1(C)C[C@@H](O)c2sccc2O1 38416288 571845818 /nfs/dbraw/zinc/84/58/18/571845818.db2.gz QDXLLAHGLDGHCO-ZCFIWIBFSA-N 0 0 184.260 2.343 10 0 AEAERN CC(=O)[C@@H](C)[C@H](O)C1CCCCC1 38363388 571845826 /nfs/dbraw/zinc/84/58/26/571845826.db2.gz GEZKMGKXRKCPNN-KCJUWKMLSA-N 0 0 184.279 2.153 10 0 AEAERN CC1(C)C[C@H](O)c2sccc2O1 38416287 571845899 /nfs/dbraw/zinc/84/58/99/571845899.db2.gz QDXLLAHGLDGHCO-LURJTMIESA-N 0 0 184.260 2.343 10 0 AEAERN CC[C@@H]1C[C@@H]1N[C@@H](C)C(F)F 233914314 571845906 /nfs/dbraw/zinc/84/59/06/571845906.db2.gz ZIWNOAFVBQISTK-XVMARJQXSA-N 0 0 163.211 2.028 10 0 AEAERN O[C@@H]1CC[C@H](c2ccc(F)cc2)C1 38363315 571845951 /nfs/dbraw/zinc/84/59/51/571845951.db2.gz QVIYLEQKCPOJLL-GXSJLCMTSA-N 0 0 180.222 2.454 10 0 AEAERN CC[C@H](O)[C@@H](C(C)=O)c1ccccc1 143850528 571845996 /nfs/dbraw/zinc/84/59/96/571845996.db2.gz GHUYTQIANNWBGI-RYUDHWBXSA-N 0 0 192.258 2.130 10 0 AEAERN C[C@H]1C(=O)CSc2ccccc21 38416161 571846042 /nfs/dbraw/zinc/84/60/42/571846042.db2.gz SYIKWGWYKJTRCB-SSDOTTSWSA-N 0 0 178.256 2.465 10 0 AEAERN Cc1cccc2nnn(C(C)C)c12 38416102 571846172 /nfs/dbraw/zinc/84/61/72/571846172.db2.gz GTGDHXLGOLQARZ-UHFFFAOYSA-N 0 0 175.235 2.321 10 0 AEAERN CC(C)C[C@H]1SCCN1N=O 5759851 571846314 /nfs/dbraw/zinc/84/63/14/571846314.db2.gz FMJPTPCDAGQKQC-SSDOTTSWSA-N 0 0 174.269 2.089 10 0 AEAERN Cc1ccc(CN(C)N=O)cc1 5781410 571846336 /nfs/dbraw/zinc/84/63/36/571846336.db2.gz SGJYQDLYKCDHNS-UHFFFAOYSA-N 0 0 164.208 2.108 10 0 AEAERN CC[C@H](CCO)C(C)(C)C 38433724 571846368 /nfs/dbraw/zinc/84/63/68/571846368.db2.gz RIHGFSPNQUKNDN-MRVPVSSYSA-N 0 0 144.258 2.441 10 0 AEAERN c1coc(-n2nnc3ccccc32)c1 5777787 571846371 /nfs/dbraw/zinc/84/63/71/571846371.db2.gz XCCRLZNHLKXEDU-UHFFFAOYSA-N 0 0 185.186 2.014 10 0 AEAERN CCC1=C(CCO)CCC1 38433698 571846387 /nfs/dbraw/zinc/84/63/87/571846387.db2.gz FZAZWTDLMCVQJO-UHFFFAOYSA-N 0 0 140.226 2.259 10 0 AEAERN CC1=C(C)C[C@H](CO)CC1 5766436 571846401 /nfs/dbraw/zinc/84/64/01/571846401.db2.gz STYNQPWPNFPCLE-SECBINFHSA-N 0 0 140.226 2.115 10 0 AEAERN Cc1nc2cc(C)c(C)cc2c(=O)o1 38416385 571846405 /nfs/dbraw/zinc/84/64/05/571846405.db2.gz TXCLXBACUSXMHA-UHFFFAOYSA-N 0 0 189.214 2.113 10 0 AEAERN CC1(C)Cc2ccccc2[C@@]1(C)O 38416116 571846410 /nfs/dbraw/zinc/84/64/10/571846410.db2.gz QDEHCNSAMHLANG-GFCCVEGCSA-N 0 0 176.259 2.476 10 0 AEAERN CC(C)[C@H](C)CCCCO 5761336 571846419 /nfs/dbraw/zinc/84/64/19/571846419.db2.gz JSRZLXKKHMYWLL-SECBINFHSA-N 0 0 144.258 2.441 10 0 AEAERN Fc1nccc(-c2ccccc2)n1 5775804 571846433 /nfs/dbraw/zinc/84/64/33/571846433.db2.gz ACGIMGVCVHHAML-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN CC(C)C1=C[C@H](O)[C@@H](C)CC1 5751857 571846457 /nfs/dbraw/zinc/84/64/57/571846457.db2.gz WEJSIMPWEOUMJB-WPRPVWTQSA-N 0 0 154.253 2.360 10 0 AEAERN Cc1cncc(C(=O)CC(C)C)n1 38416160 571846505 /nfs/dbraw/zinc/84/65/05/571846505.db2.gz PNHSZFREMPQXSM-UHFFFAOYSA-N 0 0 178.235 2.014 10 0 AEAERN CC(C)C[C@@H]1SCCN1N=O 5760079 571846521 /nfs/dbraw/zinc/84/65/21/571846521.db2.gz FMJPTPCDAGQKQC-ZETCQYMHSA-N 0 0 174.269 2.089 10 0 AEAERN C[C@H](CSCCCO)CC(F)F 687854103 571846817 /nfs/dbraw/zinc/84/68/17/571846817.db2.gz CRROTLDHKXQHDT-ZETCQYMHSA-N 0 0 198.278 2.393 10 0 AEAERN COC[C@H](C)[C@@H]1CC[C@H](C)C[C@H]1O 38392122 571846821 /nfs/dbraw/zinc/84/68/21/571846821.db2.gz RMNCXEZCLGGIIN-XWLWVQCSSA-N 0 0 186.295 2.066 10 0 AEAERN CCC/C=C/C=C/CCO 5819400 571846822 /nfs/dbraw/zinc/84/68/22/571846822.db2.gz DNCPZJXUBYQFED-YTXTXJHMSA-N 0 0 140.226 2.281 10 0 AEAERN CC(C)C1=C[C@@H](O)[C@@H](C)CC1 5751858 571846828 /nfs/dbraw/zinc/84/68/28/571846828.db2.gz WEJSIMPWEOUMJB-WCBMZHEXSA-N 0 0 154.253 2.360 10 0 AEAERN Cc1ccnc(-c2cc(N)ccn2)c1 38363396 571846831 /nfs/dbraw/zinc/84/68/31/571846831.db2.gz IBMYVWVPHXKPMY-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN COC[C@H](C)[C@@H]1CC[C@@H](C)C[C@H]1O 38392121 571846846 /nfs/dbraw/zinc/84/68/46/571846846.db2.gz RMNCXEZCLGGIIN-VPOLOUISSA-N 0 0 186.295 2.066 10 0 AEAERN CC1(C)C=C[C@@H]2C(=O)CC[C@@H]21 38415809 571846876 /nfs/dbraw/zinc/84/68/76/571846876.db2.gz GHDATYYNXZTYPS-YUMQZZPRSA-N 0 0 150.221 2.178 10 0 AEAERN CC1(c2c(C3(C)CC3)c2=O)CC1 5762165 571846897 /nfs/dbraw/zinc/84/68/97/571846897.db2.gz OJYNBBXPTVFYDN-UHFFFAOYSA-N 0 0 162.232 2.025 10 0 AEAERN C[C@]1(CO)CC[C@@H](c2ccccc2)O1 28536527 571846929 /nfs/dbraw/zinc/84/69/29/571846929.db2.gz IAGBXMMRFYEOOP-NWDGAFQWSA-N 0 0 192.258 2.289 10 0 AEAERN CC[C@@H](CCO)C(C)(C)C 38433723 571846933 /nfs/dbraw/zinc/84/69/33/571846933.db2.gz RIHGFSPNQUKNDN-QMMMGPOBSA-N 0 0 144.258 2.441 10 0 AEAERN O=C1CC[C@H]2CC=CCC[C@H]12 28548378 571846949 /nfs/dbraw/zinc/84/69/49/571846949.db2.gz 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CCOc1nccc2c(O)cccc12 38392141 571847702 /nfs/dbraw/zinc/84/77/02/571847702.db2.gz IVWNAYHWSLXQNF-UHFFFAOYSA-N 0 0 189.214 2.339 10 0 AEAERN C[C@@H]1C(=O)CSc2ccccc21 38416162 571847710 /nfs/dbraw/zinc/84/77/10/571847710.db2.gz SYIKWGWYKJTRCB-ZETCQYMHSA-N 0 0 178.256 2.465 10 0 AEAERN CC1=C(C)C[C@@H](CO)CC1 5766451 571847742 /nfs/dbraw/zinc/84/77/42/571847742.db2.gz STYNQPWPNFPCLE-VIFPVBQESA-N 0 0 140.226 2.115 10 0 AEAERN CC[C@@H]1C[C@@H]1Nc1ccc(N)c(N)c1 233918744 571847889 /nfs/dbraw/zinc/84/78/89/571847889.db2.gz YHNGNFFFJSUSQB-HQJQHLMTSA-N 0 0 191.278 2.061 10 0 AEAERN Cc1ncc([C@@H](O)[C@H]2CC23CC3)s1 687854061 571847904 /nfs/dbraw/zinc/84/79/04/571847904.db2.gz SJBFQFSYNIOMIU-APPZFPTMSA-N 0 0 195.287 2.285 10 0 AEAERN O=c1cc[nH]c2ccc3[nH]ccc3c12 28571608 571847909 /nfs/dbraw/zinc/84/79/09/571847909.db2.gz XRAJSCDQISHBOE-UHFFFAOYSA-N 0 0 184.198 2.009 10 0 AEAERN C[C@H](O)CC[C@H](C)CC(F)F 687853948 571847918 /nfs/dbraw/zinc/84/79/18/571847918.db2.gz AEWJIHXOVFTVHH-BQBZGAKWSA-N 0 0 166.211 2.439 10 0 AEAERN O[C@@H]1CC[C@H]2CCCCC[C@@H]12 28544441 571847980 /nfs/dbraw/zinc/84/79/80/571847980.db2.gz QPRCHPXJZUYMCQ-OPRDCNLKSA-N 0 0 154.253 2.338 10 0 AEAERN NC(=O)[C@@H]1CC12CCCCCCC2 38523376 571848004 /nfs/dbraw/zinc/84/80/04/571848004.db2.gz YRZIZWQYARFMFS-VIFPVBQESA-N 0 0 181.279 2.222 10 0 AEAERN C[C@H](O)CC[C@@H](C)CC(F)F 687853961 571848043 /nfs/dbraw/zinc/84/80/43/571848043.db2.gz AEWJIHXOVFTVHH-RQJHMYQMSA-N 0 0 166.211 2.439 10 0 AEAERN Oc1ccccc1[C@@H]1C=CCO1 38522821 571848082 /nfs/dbraw/zinc/84/80/82/571848082.db2.gz KAMLYIDHZKVBIX-JTQLQIEISA-N 0 0 162.188 2.020 10 0 AEAERN CC(C)[C@@H](O)[C@@H]1CCC(C)(C)C1=O 38523460 571848110 /nfs/dbraw/zinc/84/81/10/571848110.db2.gz ADAKMKTUUYUGHX-DTWKUNHWSA-N 0 0 184.279 2.009 10 0 AEAERN CC(C)CNC(=S)c1cccnc1 38523682 571848123 /nfs/dbraw/zinc/84/81/23/571848123.db2.gz NSKJYMHRGSFQON-UHFFFAOYSA-N 0 0 194.303 2.003 10 0 AEAERN O=C1CC[C@@H]2CCC=CC[C@@H]12 28550713 571848133 /nfs/dbraw/zinc/84/81/33/571848133.db2.gz 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/nfs/dbraw/zinc/84/96/74/571849674.db2.gz MJKJKWIQMJXMFB-RKDXNWHRSA-N 0 0 192.262 2.301 10 0 AEAERN C[C@H]1CCC(C)(C)c2cc(=O)[nH]nc21 713094510 571849677 /nfs/dbraw/zinc/84/96/77/571849677.db2.gz HKGVCACCZVHFRL-ZETCQYMHSA-N 0 0 192.262 2.357 10 0 AEAERN COC1(CC(=O)c2ccoc2)CCC1 234648430 571849699 /nfs/dbraw/zinc/84/96/99/571849699.db2.gz HLKPIWIDVVWWJP-UHFFFAOYSA-N 0 0 194.230 2.422 10 0 AEAERN CCCC[C@@]1(C)CCC(=O)O1 5831404 571849716 /nfs/dbraw/zinc/84/97/16/571849716.db2.gz ACJKPCSUVDMEPW-VIFPVBQESA-N 0 0 156.225 2.272 10 0 AEAERN O=C1CC[C@@H]2CCC=CC[C@H]12 28550711 571849867 /nfs/dbraw/zinc/84/98/67/571849867.db2.gz WKOMUHRFQOCLKF-IUCAKERBSA-N 0 0 150.221 2.322 10 0 AEAERN Cn1nc(-c2cccnc2)cc1Cl 38523665 571849807 /nfs/dbraw/zinc/84/98/07/571849807.db2.gz ZHFCYQHKJSYSEY-UHFFFAOYSA-N 0 0 193.637 2.136 10 0 AEAERN COC1(CC(=O)c2ccc[nH]2)CCC1 234647161 571849827 /nfs/dbraw/zinc/84/98/27/571849827.db2.gz PAXTUSLFANSPGG-UHFFFAOYSA-N 0 0 193.246 2.157 10 0 AEAERN CC(=O)c1cc(C)c(O)c(C(C)=O)c1 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/nfs/dbraw/zinc/85/71/67/571857167.db2.gz ABSCYWMYRVUUIC-BIIVOSGPSA-N 0 0 152.237 2.258 10 0 AEAERN CC[C@](C)(O)C(=O)c1ccccc1 6002422 571857282 /nfs/dbraw/zinc/85/72/82/571857282.db2.gz FYWIZDVKHSDFOY-NSHDSACASA-N 0 0 178.231 2.030 10 0 AEAERN CCc1c(N)cc(C)c2[nH]c[nH+]c12 38842360 571857307 /nfs/dbraw/zinc/85/73/07/571857307.db2.gz RDUZGVDLZMRQQK-UHFFFAOYSA-N 0 0 175.235 2.016 10 0 AEAERN Nc1ccc2ccc3cc[nH]c3c2n1 5997870 571857347 /nfs/dbraw/zinc/85/73/47/571857347.db2.gz ZMCYXLBWPFTCKK-UHFFFAOYSA-N 0 0 183.214 2.298 10 0 AEAERN COc1csc(Cl)c1 38853613 571857353 /nfs/dbraw/zinc/85/73/53/571857353.db2.gz GGVGTYZXEGSSKV-UHFFFAOYSA-N 0 0 148.614 2.410 10 0 AEAERN CC[C@@]1(C)N=N[C@](C)(CC)C1=O 196108839 571857361 /nfs/dbraw/zinc/85/73/61/571857361.db2.gz LOHZFXYGRKIOIA-RKDXNWHRSA-N 0 0 168.240 2.359 10 0 AEAERN C[C@H](O)[C@@H]1[C@@H]2CC[C@@H](C2)C1(C)C 6021163 571857457 /nfs/dbraw/zinc/85/74/57/571857457.db2.gz DLLWYTGUPJUVGW-QCLAVDOMSA-N 0 0 168.280 2.440 10 0 AEAERN CC(C)C(=O)C(C)(Cl)Cl 196108442 571857565 /nfs/dbraw/zinc/85/75/65/571857565.db2.gz TYPSXQMUXDUBPF-UHFFFAOYSA-N 0 0 169.051 2.405 10 0 AEAERN C[C@@H]1NC(=O)CCC[C@H]1[Si](C)(C)C 196102104 571857571 /nfs/dbraw/zinc/85/75/71/571857571.db2.gz GPRQKKQPTZATLN-DTWKUNHWSA-N 0 0 199.370 2.383 10 0 AEAERN CC(C)C[C@@H]1OCC[C@H](C)O1 6037615 571857572 /nfs/dbraw/zinc/85/75/72/571857572.db2.gz ZFBLKHRAGAMZDX-DTWKUNHWSA-N 0 0 158.241 2.184 10 0 AEAERN C[C@H](CCO)[Si](C)(C)C 196119714 571857678 /nfs/dbraw/zinc/85/76/78/571857678.db2.gz ZHDVKOUSCOZBPA-SSDOTTSWSA-N 0 0 146.306 2.097 10 0 AEAERN CC[C@H](O)c1cnc(C2CC2)s1 687862371 571857580 /nfs/dbraw/zinc/85/75/80/571857580.db2.gz LWCIRBYNOFSCPG-ZETCQYMHSA-N 0 0 183.276 2.464 10 0 AEAERN O=C1C[C@@H]2C[C@@H]3C[C@H]1C[C@H]2C3 196105535 571857602 /nfs/dbraw/zinc/85/76/02/571857602.db2.gz QUFDNFQTYOIVHJ-HXFLIBJXSA-N 0 0 150.221 2.012 10 0 AEAERN CC(=O)CC(C)(C)Br 196102027 571857619 /nfs/dbraw/zinc/85/76/19/571857619.db2.gz SBDHHQWMOYGQJM-UHFFFAOYSA-N 0 0 179.057 2.139 10 0 AEAERN C[Si](C)(C)C[C@H]1CCCCC(=O)N1 196102060 571857632 /nfs/dbraw/zinc/85/76/32/571857632.db2.gz PALNGCPYTMEBEJ-SECBINFHSA-N 0 0 199.370 2.383 10 0 AEAERN C/C=C(/CO)CC1(O)CCCCC1 38810476 571857659 /nfs/dbraw/zinc/85/76/59/571857659.db2.gz AHIGOTOHNLGGFI-WTDSWWLTSA-N 0 0 184.279 2.010 10 0 AEAERN C[C@@H]1CCCC(C)(C)[C@H]1CO 6030827 571857668 /nfs/dbraw/zinc/85/76/68/571857668.db2.gz WIYBEAHUAVVOHR-BDAKNGLRSA-N 0 0 156.269 2.441 10 0 AEAERN C[C@@H]1C[C@H]2[C@@H](C[C@@H]1O)C2(C)C 6031574 571857676 /nfs/dbraw/zinc/85/76/76/571857676.db2.gz WHXOMZVLSNHION-XAVMHZPKSA-N 0 0 154.253 2.049 10 0 AEAERN OCCC[C@@H](O)CCC1CCCC1 300725169 571857768 /nfs/dbraw/zinc/85/77/68/571857768.db2.gz CYVQCPAKAVEBPU-LLVKDONJSA-N 0 0 186.295 2.090 10 0 AEAERN Cc1cc(C(C)(C)O)cc(C)c1O 38810379 571857780 /nfs/dbraw/zinc/85/77/80/571857780.db2.gz VWIZWNKCFMODOA-UHFFFAOYSA-N 0 0 180.247 2.236 10 0 AEAERN C[C@H]1CC[C@H](C)[C@@H](C)C1=O 6037621 571857796 /nfs/dbraw/zinc/85/77/96/571857796.db2.gz 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/nfs/dbraw/zinc/85/81/84/571858184.db2.gz VPXCDBFDZSBSKZ-UHFFFAOYSA-N 0 0 195.287 2.412 10 0 AEAERN C[C@H]1NC(=O)CCC[C@@H]1[Si](C)(C)C 196102112 571858186 /nfs/dbraw/zinc/85/81/86/571858186.db2.gz GPRQKKQPTZATLN-BDAKNGLRSA-N 0 0 199.370 2.383 10 0 AEAERN Cc1c(C)n(C)c2c(N)cccc12 196101952 571858203 /nfs/dbraw/zinc/85/82/03/571858203.db2.gz ZTGZEBJCDSULJR-UHFFFAOYSA-N 0 0 174.247 2.377 10 0 AEAERN Fc1nccnc1-c1ccccc1 38844053 571858206 /nfs/dbraw/zinc/85/82/06/571858206.db2.gz DMADASLIVWQAGV-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN COC(=O)OC1CCCCC1 5997179 571858233 /nfs/dbraw/zinc/85/82/33/571858233.db2.gz RVXBJNBDERKLJG-UHFFFAOYSA-N 0 0 158.197 2.102 10 0 AEAERN C=C/C=C\NC(=O)Oc1ccccc1 111346525 571858254 /nfs/dbraw/zinc/85/82/54/571858254.db2.gz OIXACKNPAQIZJZ-OQFOIZHKSA-N 0 0 189.214 2.475 10 0 AEAERN CCn1cc(C(=O)[C@H]2CC2(C)C)cn1 234245865 571858258 /nfs/dbraw/zinc/85/82/58/571858258.db2.gz TVLKOLCFUZLQBC-SECBINFHSA-N 0 0 192.262 2.132 10 0 AEAERN CC(C)c1c(N)nnn1CC(C)(C)C 713123711 571858284 /nfs/dbraw/zinc/85/82/84/571858284.db2.gz CZOSLMFACSXHKS-UHFFFAOYSA-N 0 0 196.298 2.030 10 0 AEAERN C[Si](C)(C)C[C@H]1CCCCNC1=O 196102085 571858345 /nfs/dbraw/zinc/85/83/45/571858345.db2.gz HHMYPVLLFVCDOF-SECBINFHSA-N 0 0 199.370 2.241 10 0 AEAERN C[Si](C)(C)C[C@@H]1CCCCNC1=O 196102075 571858352 /nfs/dbraw/zinc/85/83/52/571858352.db2.gz HHMYPVLLFVCDOF-VIFPVBQESA-N 0 0 199.370 2.241 10 0 AEAERN C[C@@H]1CC[C@H]2[C@H](O)[C@@H]1C2(C)C 6031133 571858365 /nfs/dbraw/zinc/85/83/65/571858365.db2.gz LSLAXGOPRFHADY-XAVMHZPKSA-N 0 0 154.253 2.049 10 0 AEAERN COC(=O)c1cc2c([nH]1)[C@H](C)CCC2 38866244 571859558 /nfs/dbraw/zinc/85/95/58/571859558.db2.gz SOINZFARSAIAOP-SSDOTTSWSA-N 0 0 193.246 2.241 10 0 AEAERN C[C@@H]1CCC(C)(C)c2cnc(=O)[nH]c21 713117597 571858410 /nfs/dbraw/zinc/85/84/10/571858410.db2.gz VHCRQFJSAAUXNT-SSDOTTSWSA-N 0 0 192.262 2.357 10 0 AEAERN C[C@@H]1NC(=O)CCC[C@@H]1[Si](C)(C)C 196102121 571858533 /nfs/dbraw/zinc/85/85/33/571858533.db2.gz GPRQKKQPTZATLN-IUCAKERBSA-N 0 0 199.370 2.383 10 0 AEAERN COC(=O)c1cc(O)c(C)c(C)c1C 196114951 571858538 /nfs/dbraw/zinc/85/85/38/571858538.db2.gz CFYCDBJJARBPMJ-UHFFFAOYSA-N 0 0 194.230 2.104 10 0 AEAERN O[C@@]1(C2=COCC2)C[C@H]2CC[C@H](C2)C1 711004208 571858552 /nfs/dbraw/zinc/85/85/52/571858552.db2.gz XBWSNZZWUIIDFW-PEGIJTEDSA-N 0 0 194.274 2.232 10 0 AEAERN CS[C@@H]1Cc2ccccc2C1=O 38844614 571858561 /nfs/dbraw/zinc/85/85/61/571858561.db2.gz JCBKFWMBOGRILT-SECBINFHSA-N 0 0 178.256 2.157 10 0 AEAERN COC[C@H](O)CCCC1CCCC1 300725529 571858617 /nfs/dbraw/zinc/85/86/17/571858617.db2.gz DADAMFUJLUXLFC-LLVKDONJSA-N 0 0 186.295 2.354 10 0 AEAERN COC[C@@H](O)CCCC1CCCC1 300725530 571858638 /nfs/dbraw/zinc/85/86/38/571858638.db2.gz DADAMFUJLUXLFC-NSHDSACASA-N 0 0 186.295 2.354 10 0 AEAERN O[C@@H]1CCCCC=C1Br 196119509 571858652 /nfs/dbraw/zinc/85/86/52/571858652.db2.gz CWUGDGZLEPQBJR-SSDOTTSWSA-N 0 0 191.068 2.200 10 0 AEAERN Cc1ccn(Cc2ccccc2)n1 38810258 571858661 /nfs/dbraw/zinc/85/86/61/571858661.db2.gz PFUAZMMGWCSYPQ-UHFFFAOYSA-N 0 0 172.231 2.240 10 0 AEAERN OC/C=C/c1cnc2ccccc2c1 38844781 571858663 /nfs/dbraw/zinc/85/86/63/571858663.db2.gz POWFQRDLWMFWPX-ONEGZZNKSA-N 0 0 185.226 2.240 10 0 AEAERN CC(C)=C1c2ccccc2C[C@@H]1O 196101599 571858701 /nfs/dbraw/zinc/85/87/01/571858701.db2.gz FZRFJIQDOWAJLY-NSHDSACASA-N 0 0 174.243 2.397 10 0 AEAERN C[C@H]1CCc2ccccc2CC1=O 196102313 571858749 /nfs/dbraw/zinc/85/87/49/571858749.db2.gz UWZFDQHOMKRPMK-VIFPVBQESA-N 0 0 174.243 2.381 10 0 AEAERN CC(CCCO)=C1C=CC=C1 196117864 571858777 /nfs/dbraw/zinc/85/87/77/571858777.db2.gz MMDQQSOQYREAON-UHFFFAOYSA-N 0 0 150.221 2.201 10 0 AEAERN CC(C)n1nccc1[C@@H](O)CC1CC1 300727300 571858782 /nfs/dbraw/zinc/85/87/82/571858782.db2.gz CEEDQHHXMGDDOY-NSHDSACASA-N 0 0 194.278 2.298 10 0 AEAERN O=NC1C(=O)Nc2ccccc21 111389148 571858879 /nfs/dbraw/zinc/85/88/79/571858879.db2.gz XXIJFHJUUXTXIX-UHFFFAOYSA-N 0 0 162.148 2.271 10 0 AEAERN COC(=O)/C=C\N(C)[C@@H](C)C(C)(C)C 211616717 571859584 /nfs/dbraw/zinc/85/95/84/571859584.db2.gz SLNFBYSMUFMJGU-FUOZMLNRSA-N 0 0 199.294 2.040 10 0 AEAERN Nc1ccc2nc3c(cc2c1)CCC3 138912076 571859094 /nfs/dbraw/zinc/85/90/94/571859094.db2.gz IKWGNZWXUULNNG-UHFFFAOYSA-N 0 0 184.242 2.306 10 0 AEAERN CC(C)n1nccc1[C@H](O)CC1CC1 300727299 571859105 /nfs/dbraw/zinc/85/91/05/571859105.db2.gz CEEDQHHXMGDDOY-LLVKDONJSA-N 0 0 194.278 2.298 10 0 AEAERN C[C@@H]1CCc2ccccc2CC1=O 196102306 571859125 /nfs/dbraw/zinc/85/91/25/571859125.db2.gz UWZFDQHOMKRPMK-SECBINFHSA-N 0 0 174.243 2.381 10 0 AEAERN Cc1cc2c(c(O)c1C=O)CCCC2 138943125 571859126 /nfs/dbraw/zinc/85/91/26/571859126.db2.gz XGWLLOSVLMOTCG-UHFFFAOYSA-N 0 0 190.242 2.392 10 0 AEAERN CC(C)=C[C@H](C)CCCO 38864519 571859147 /nfs/dbraw/zinc/85/91/47/571859147.db2.gz UUJJDMPCWMDZON-SECBINFHSA-N 0 0 142.242 2.361 10 0 AEAERN CC(=O)CCNc1ccccc1C 38880623 571859166 /nfs/dbraw/zinc/85/91/66/571859166.db2.gz NRSMXFMSTKFMMQ-UHFFFAOYSA-N 0 0 177.247 2.386 10 0 AEAERN COC(=O)/C=C\N(C)[C@H](C)C(C)(C)C 211616800 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/nfs/dbraw/zinc/90/11/36/571901136.db2.gz UKAWHENYZHQCPX-POYBYMJQSA-N 0 0 178.222 2.439 10 0 AEAERN COC1CCC([C@H]2CC[C@@H](O)C2)CC1 686321311 571901171 /nfs/dbraw/zinc/90/11/71/571901171.db2.gz XMVCJMWHHNPYDO-LVFLEHKBSA-N 0 0 198.306 2.353 10 0 AEAERN CCC(CC)C1N=NC(=S)N1C 8732771 571903956 /nfs/dbraw/zinc/90/39/56/571903956.db2.gz VFEPCNYZPNHVFY-UHFFFAOYSA-N 0 0 185.296 2.007 10 0 AEAERN CCc1nccn1C[C@H](F)CC 393337020 571901481 /nfs/dbraw/zinc/90/14/81/571901481.db2.gz JMZLHBRWBROKOR-MRVPVSSYSA-N 0 0 170.231 2.194 10 0 AEAERN C1=C[C@H](Cc2c[nH]cn2)CCC1 39133279 571901726 /nfs/dbraw/zinc/90/17/26/571901726.db2.gz XXPDCVRVAJAYRH-VIFPVBQESA-N 0 0 162.236 2.309 10 0 AEAERN CC1=C[C@H](Cc2c[nH]cn2)CC1 39133270 571901748 /nfs/dbraw/zinc/90/17/48/571901748.db2.gz AMTURIJBMNVQSA-SECBINFHSA-N 0 0 162.236 2.309 10 0 AEAERN CCCCc1c(OC)noc1C 39113318 571901749 /nfs/dbraw/zinc/90/17/49/571901749.db2.gz DYTWQGUKIQSAQE-UHFFFAOYSA-N 0 0 169.224 2.334 10 0 AEAERN CCCC[C@@H](O)c1cccnc1 32302796 571901819 /nfs/dbraw/zinc/90/18/19/571901819.db2.gz QCFKWFTVGHMPSE-SNVBAGLBSA-N 0 0 165.236 2.305 10 0 AEAERN c1ccc2cc3nonc3cc2c1 39133593 571901820 /nfs/dbraw/zinc/90/18/20/571901820.db2.gz BRAYTECHKQKYES-UHFFFAOYSA-N 0 0 170.171 2.376 10 0 AEAERN CC1(C)[C@@H]2CC[C@H](CCO)[C@H]1C2 8579446 571902018 /nfs/dbraw/zinc/90/20/18/571902018.db2.gz RCRVMCSPZAMFKV-OPRDCNLKSA-N 0 0 168.280 2.441 10 0 AEAERN O=C1CCCc2snc(Cl)c21 39148191 571902057 /nfs/dbraw/zinc/90/20/57/571902057.db2.gz OBAPLQKGBKYJDQ-UHFFFAOYSA-N 0 0 187.651 2.316 10 0 AEAERN CCC[C@@H]1C(=O)[C@H]2CC[C@@H]1C2 39184664 571906377 /nfs/dbraw/zinc/90/63/77/571906377.db2.gz BOKNHLKMBUHXGQ-VGMNWLOBSA-N 0 0 152.237 2.402 10 0 AEAERN CCc1nnc(C(C)C)s1 39140478 571902145 /nfs/dbraw/zinc/90/21/45/571902145.db2.gz LJVPGIKWYUTWDW-UHFFFAOYSA-N 0 0 156.254 2.224 10 0 AEAERN COC1CCC([C@@H]2CC[C@H](O)C2)CC1 686321315 571902155 /nfs/dbraw/zinc/90/21/55/571902155.db2.gz XMVCJMWHHNPYDO-UPOSSJBDSA-N 0 0 198.306 2.353 10 0 AEAERN COc1ccc(/C=C2\C[C@H]2CO)cc1 145311669 571902164 /nfs/dbraw/zinc/90/21/64/571902164.db2.gz BUWDPXCIBBGLGC-RUYJGKKWSA-N 0 0 190.242 2.091 10 0 AEAERN C[C@@H](O)C[C@@H](C)CC(F)F 687880205 571903501 /nfs/dbraw/zinc/90/35/01/571903501.db2.gz XGFSSQKZPIUXGY-PHDIDXHHSA-N 0 0 152.184 2.049 10 0 AEAERN CCOC(=O)N(Cl)C(C)(C)C 39139130 571902341 /nfs/dbraw/zinc/90/23/41/571902341.db2.gz RZYFTRPKMCCEMM-UHFFFAOYSA-N 0 0 179.647 2.397 10 0 AEAERN CC(C)(O)CCCC(F)F 687880542 571903510 /nfs/dbraw/zinc/90/35/10/571903510.db2.gz YUFNEZGHGLAHQE-UHFFFAOYSA-N 0 0 152.184 2.193 10 0 AEAERN C[C@H](O)c1cccc2ccoc12 39136501 571902417 /nfs/dbraw/zinc/90/24/17/571902417.db2.gz OYGYJQSFGYCBGS-ZETCQYMHSA-N 0 0 162.188 2.486 10 0 AEAERN Cn1ccc2cc3c(cc21)NCC3 39147819 571902432 /nfs/dbraw/zinc/90/24/32/571902432.db2.gz TWAIAIGQZSFMBH-UHFFFAOYSA-N 0 0 172.231 2.146 10 0 AEAERN COC1CCC(C[C@H](O)C2CC2)CC1 686321366 571902472 /nfs/dbraw/zinc/90/24/72/571902472.db2.gz YOGNGYZEIHLDKF-NHNAUAITSA-N 0 0 198.306 2.353 10 0 AEAERN CC1=C[C@@]2(C)C=C[C@@H]1CC2=O 39147467 571902630 /nfs/dbraw/zinc/90/26/30/571902630.db2.gz LXUWRRVZPVVVBQ-PSASIEDQSA-N 0 0 148.205 2.098 10 0 AEAERN C[C@H](O)[C@H](C)C/C=C\Cl 387905496 571902727 /nfs/dbraw/zinc/90/27/27/571902727.db2.gz CZUHTPGNAZMFJS-MIAOOFFESA-N 0 0 148.633 2.146 10 0 AEAERN C=COC1CCC(OC)CC1 686226427 571903523 /nfs/dbraw/zinc/90/35/23/571903523.db2.gz DCHJXDQGPVCPDD-UHFFFAOYSA-N 0 0 156.225 2.104 10 0 AEAERN Cc1cc2c(s1)C(=O)CC2 39224371 571912828 /nfs/dbraw/zinc/91/28/28/571912828.db2.gz QIMYWCWNHBMEKH-UHFFFAOYSA-N 0 0 152.218 2.185 10 0 AEAERN C[C@H](O)c1ccc2ccoc2c1 39136495 571902769 /nfs/dbraw/zinc/90/27/69/571902769.db2.gz RKKGICFRWWWURQ-ZETCQYMHSA-N 0 0 162.188 2.486 10 0 AEAERN C=C(NC(=O)CC)c1ccccc1 39139337 571902829 /nfs/dbraw/zinc/90/28/29/571902829.db2.gz YPIDOFMLPMJTJX-UHFFFAOYSA-N 0 0 175.231 2.184 10 0 AEAERN CCCc1nnc(CC)s1 39140477 571902861 /nfs/dbraw/zinc/90/28/61/571902861.db2.gz JXTWGLOBYHJZDF-UHFFFAOYSA-N 0 0 156.254 2.053 10 0 AEAERN CCCC[C@H](CC1(C)CC1)NN 401285647 571902901 /nfs/dbraw/zinc/90/29/01/571902901.db2.gz UIQQOROYEFWEMX-SECBINFHSA-N 0 0 170.300 2.199 10 0 AEAERN CN[C@@H](c1occc1C)C(F)(F)F 686227529 571903537 /nfs/dbraw/zinc/90/35/37/571903537.db2.gz PCZKGJJCOZUINE-ZETCQYMHSA-N 0 0 193.168 2.411 10 0 AEAERN CC[C@H](O)c1sccc1C=O 39147757 571903538 /nfs/dbraw/zinc/90/35/38/571903538.db2.gz KQOHMWZLLJYBLY-ZETCQYMHSA-N 0 0 170.233 2.004 10 0 AEAERN CC(=O)CSCc1ccoc1 39147756 571903019 /nfs/dbraw/zinc/90/30/19/571903019.db2.gz CXYBEAGAIXLVDW-UHFFFAOYSA-N 0 0 170.233 2.102 10 0 AEAERN CC[C@@H](O)c1nccc2occc12 39147911 571903039 /nfs/dbraw/zinc/90/30/39/571903039.db2.gz XIMDZPSOCRDXOV-MRVPVSSYSA-N 0 0 177.203 2.271 10 0 AEAERN c1cc2cc3c(cc2o1)COC3 39136462 571903169 /nfs/dbraw/zinc/90/31/69/571903169.db2.gz ONMGJSHAEOOFGF-UHFFFAOYSA-N 0 0 160.172 2.463 10 0 AEAERN CCOC[C@@H](O)CCCC1CCC1 711148258 571903286 /nfs/dbraw/zinc/90/32/86/571903286.db2.gz FJIZRZLELVMCLZ-NSHDSACASA-N 0 0 186.295 2.354 10 0 AEAERN 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571904934 /nfs/dbraw/zinc/90/49/34/571904934.db2.gz OIOYHICOBICPEI-ZJUUUORDSA-N 0 0 188.311 2.456 10 0 AEAERN CC[C@@H](O)CCCCOC(C)C 70777191 571904948 /nfs/dbraw/zinc/90/49/48/571904948.db2.gz DIBSPQSPPGVLBJ-SNVBAGLBSA-N 0 0 174.284 2.353 10 0 AEAERN CCCC(C)(C)c1nnc(N)s1 8727052 571904985 /nfs/dbraw/zinc/90/49/85/571904985.db2.gz VZMRUPSCIVRGQS-UHFFFAOYSA-N 0 0 185.296 2.198 10 0 AEAERN C[C@H](CC(F)F)C[C@@H](C)O 687880188 571905080 /nfs/dbraw/zinc/90/50/80/571905080.db2.gz XGFSSQKZPIUXGY-NTSWFWBYSA-N 0 0 152.184 2.049 10 0 AEAERN C[C@@H](CO)CCCC(F)F 687880133 571905100 /nfs/dbraw/zinc/90/51/00/571905100.db2.gz WYRZDPQCNDNTFC-ZCFIWIBFSA-N 0 0 152.184 2.050 10 0 AEAERN Cc1ccc(CC(C)(C)O)c(C)c1O 39168935 571905205 /nfs/dbraw/zinc/90/52/05/571905205.db2.gz HRVXAGQZMMMKFO-UHFFFAOYSA-N 0 0 194.274 2.322 10 0 AEAERN O[C@@H](C1CC1)C(Cl)(Cl)Cl 39168803 571905354 /nfs/dbraw/zinc/90/53/54/571905354.db2.gz QINBPBCPWBPDQH-BYPYZUCNSA-N 0 0 189.469 2.128 10 0 AEAERN COC[C@@H](C)CC[C@H](O)C(C)C 70777902 571905295 /nfs/dbraw/zinc/90/52/95/571905295.db2.gz IKBZGMOMUHNSFN-UWVGGRQHSA-N 0 0 174.284 2.066 10 0 AEAERN CCCCOC(=O)Oc1ccccn1 39116767 571905300 /nfs/dbraw/zinc/90/53/00/571905300.db2.gz KOWLZAZNICZNJA-UHFFFAOYSA-N 0 0 195.218 2.397 10 0 AEAERN CC(F)(F)CCCCCO 39168116 571905316 /nfs/dbraw/zinc/90/53/16/571905316.db2.gz MEOZTRFDHYQICX-UHFFFAOYSA-N 0 0 152.184 2.194 10 0 AEAERN O=C1CC2(CN1)C1CCCC2CCC1 39168903 571905349 /nfs/dbraw/zinc/90/53/49/571905349.db2.gz LVXXPJDCJUDQAB-UHFFFAOYSA-N 0 0 193.290 2.093 10 0 AEAERN OCc1cc2cnc3occc3c2o1 39148248 571905368 /nfs/dbraw/zinc/90/53/68/571905368.db2.gz DIXFJIMOXJLBCW-UHFFFAOYSA-N 0 0 189.170 2.066 10 0 AEAERN COC[C@@H](C)CC[C@@H](O)C(C)C 70777897 571905380 /nfs/dbraw/zinc/90/53/80/571905380.db2.gz IKBZGMOMUHNSFN-VHSXEESVSA-N 0 0 174.284 2.066 10 0 AEAERN CC(C)=C1CCCC[C@H]1O 39168050 571905407 /nfs/dbraw/zinc/90/54/07/571905407.db2.gz BWPQOTDMZIKBPZ-SECBINFHSA-N 0 0 140.226 2.258 10 0 AEAERN CC(C)OCCCC[C@H](O)C1CC1 70778911 571905463 /nfs/dbraw/zinc/90/54/63/571905463.db2.gz XEHATOAIRKBRHT-NSHDSACASA-N 0 0 186.295 2.353 10 0 AEAERN COC[C@H](C)CC[C@@H](O)C(C)(C)C 70779683 571905554 /nfs/dbraw/zinc/90/55/54/571905554.db2.gz OIOYHICOBICPEI-NXEZZACHSA-N 0 0 188.311 2.456 10 0 AEAERN CC[C@H]1Cc2ccccc2[C@@H](O)O1 39168506 571905560 /nfs/dbraw/zinc/90/55/60/571905560.db2.gz FAEGODRVNOATST-ONGXEEELSA-N 0 0 178.231 2.029 10 0 AEAERN CC1(C)C[C@@H]2C=C[C@H]1CC2=O 39168107 571905563 /nfs/dbraw/zinc/90/55/63/571905563.db2.gz ZHQCCPWSHPNZGY-YUMQZZPRSA-N 0 0 150.221 2.178 10 0 AEAERN CC(C)(C)C1=CCC[C@@H]1O 39168071 571905583 /nfs/dbraw/zinc/90/55/83/571905583.db2.gz HTNSSPFBLVSKOZ-QMMMGPOBSA-N 0 0 140.226 2.114 10 0 AEAERN Cc1cccnc1-n1cc[nH]c1=S 39148333 571905618 /nfs/dbraw/zinc/90/56/18/571905618.db2.gz ISTJXGOWQFUHDZ-UHFFFAOYSA-N 0 0 191.259 2.238 10 0 AEAERN Cc1ccc2c(ccn2C[C@H](C)O)c1 39148266 571905627 /nfs/dbraw/zinc/90/56/27/571905627.db2.gz GJNZFRRBZYEHKQ-JTQLQIEISA-N 0 0 189.258 2.331 10 0 AEAERN 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132.166 2.010 10 0 AEAERN CC(C)C[C@H](CO)C[C@@H]1CCOC1 400521633 571908404 /nfs/dbraw/zinc/90/84/04/571908404.db2.gz DWUPFKAOUTXUHG-QWRGUYRKSA-N 0 0 186.295 2.068 10 0 AEAERN C/C(=C/[C@@H]1CCC=CO1)[C@H](C)O 379317681 571908426 /nfs/dbraw/zinc/90/84/26/571908426.db2.gz GZDNSXYGDAISII-OWSSEVEYSA-N 0 0 168.236 2.006 10 0 AEAERN O[C@@H](CCCC(F)F)C1CC1 687880911 571908442 /nfs/dbraw/zinc/90/84/42/571908442.db2.gz ZWUOEDHAKFSNLB-ZETCQYMHSA-N 0 0 164.195 2.193 10 0 AEAERN CSC(=O)c1ccc(C)cc1 39199453 571908468 /nfs/dbraw/zinc/90/84/68/571908468.db2.gz NSIWCLPQLNFFSQ-UHFFFAOYSA-N 0 0 166.245 2.498 10 0 AEAERN C[C@@H](c1ccccc1)[C@@H]1C[C@@H]1CO 39185021 571908490 /nfs/dbraw/zinc/90/84/90/571908490.db2.gz JSKYTPJTMAQWKY-WCQGTBRESA-N 0 0 176.259 2.419 10 0 AEAERN CCCCc1ncccc1C=O 113391620 571908529 /nfs/dbraw/zinc/90/85/29/571908529.db2.gz SJCJSNMPJDIYFF-UHFFFAOYSA-N 0 0 163.220 2.237 10 0 AEAERN COC(=O)/C=C1\CCCC12CCC2 394725203 571908540 /nfs/dbraw/zinc/90/85/40/571908540.db2.gz 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/nfs/dbraw/zinc/90/90/53/571909053.db2.gz KFGXSKKAPVVPEV-UTLUCORTSA-N 0 0 152.237 2.114 10 0 AEAERN CC[C@H](O)Cc1c[nH]c2ccccc12 39212794 571909100 /nfs/dbraw/zinc/90/91/00/571909100.db2.gz SYABOEKWPYOLAW-JTQLQIEISA-N 0 0 189.258 2.481 10 0 AEAERN CC=CC(=O)c1ccccn1 687728974 571909109 /nfs/dbraw/zinc/90/91/09/571909109.db2.gz JJOLCRPHGUFLCT-WEVVVXLNSA-N 0 0 147.177 2.167 10 0 AEAERN Cc1cc(N(C)C)cc(C)c1O 39210037 571909372 /nfs/dbraw/zinc/90/93/72/571909372.db2.gz DBUQBOODRXRUEW-UHFFFAOYSA-N 0 0 165.236 2.075 10 0 AEAERN C[C@H]1C[C@H](O)[C@@H]2C[C@H]1C2(C)C 39204666 571909388 /nfs/dbraw/zinc/90/93/88/571909388.db2.gz VIGNRSKBPLHDGV-KZVJFYERSA-N 0 0 154.253 2.049 10 0 AEAERN C[C@@H](O)[C@H]1C=Cc2ccccc21 39214423 571909391 /nfs/dbraw/zinc/90/93/91/571909391.db2.gz FSIVMJKVDYYKQA-PSASIEDQSA-N 0 0 160.216 2.178 10 0 AEAERN Cc1cc2ccc3nccn3c2[nH]1 39212752 571909620 /nfs/dbraw/zinc/90/96/20/571909620.db2.gz DYNGMZHJDWBKON-UHFFFAOYSA-N 0 0 171.203 2.124 10 0 AEAERN C[C@H](O)c1ccc2c(c1N)CCCC2 39204453 571909488 /nfs/dbraw/zinc/90/94/88/571909488.db2.gz KEUZWJXQYAHNDD-QMMMGPOBSA-N 0 0 191.274 2.201 10 0 AEAERN CC[C@@H]1C(=O)CC[C@H]1C 39207143 571909501 /nfs/dbraw/zinc/90/95/01/571909501.db2.gz MPRUDBYRZXTWRI-RQJHMYQMSA-N 0 0 126.199 2.012 10 0 AEAERN C[C@@H]1C[C@H](O)[C@H]2C[C@@H]1C2(C)C 39204668 571909533 /nfs/dbraw/zinc/90/95/33/571909533.db2.gz VIGNRSKBPLHDGV-XAVMHZPKSA-N 0 0 154.253 2.049 10 0 AEAERN Cc1cc2ccncc2nc1C 39209445 571909526 /nfs/dbraw/zinc/90/95/26/571909526.db2.gz KBQHMKMTEXTGMD-UHFFFAOYSA-N 0 0 158.204 2.247 10 0 AEAERN S=C1NCCSc2ccccc21 39205485 571909830 /nfs/dbraw/zinc/90/98/30/571909830.db2.gz JLZLBGYZJILXCA-UHFFFAOYSA-N 0 0 195.312 2.057 10 0 AEAERN COCc1ccnc2ccccc12 39213206 571909852 /nfs/dbraw/zinc/90/98/52/571909852.db2.gz XVKXIPPFQONSFM-UHFFFAOYSA-N 0 0 173.215 2.381 10 0 AEAERN CC(C)C[C@H](CO)C[C@H]1CCOC1 400521632 571909868 /nfs/dbraw/zinc/90/98/68/571909868.db2.gz DWUPFKAOUTXUHG-MNOVXSKESA-N 0 0 186.295 2.068 10 0 AEAERN C=C=CC[C@H](O)c1ccccc1 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176.215 2.385 10 0 AEAERN Nc1ccc2ccc3[nH]ccc3c2n1 39269226 571919253 /nfs/dbraw/zinc/91/92/53/571919253.db2.gz FAVPZDACWILINV-UHFFFAOYSA-N 0 0 183.214 2.298 10 0 AEAERN CC/C(=C\CO)c1ccc(O)cc1 687679625 571919231 /nfs/dbraw/zinc/91/92/31/571919231.db2.gz BGEBTULSJQIYKA-VQHVLOKHSA-N 0 0 178.231 2.178 10 0 AEAERN CC1=C[C@H](O)O[C@H](c2ccccc2)C1 39268779 571919233 /nfs/dbraw/zinc/91/92/33/571919233.db2.gz IGRAXVOCLMPQRF-NWDGAFQWSA-N 0 0 190.242 2.413 10 0 AEAERN C[C@@H]1CC(C)(C)CC[C@@H]1O 39274538 571919873 /nfs/dbraw/zinc/91/98/73/571919873.db2.gz OMULITXKHULTEE-SFYZADRCSA-N 0 0 142.242 2.194 10 0 AEAERN COC(=O)C/C=C/c1ccc(C)o1 687679882 571919398 /nfs/dbraw/zinc/91/93/98/571919398.db2.gz YUDBWTAWCRDTNV-ONEGZZNKSA-N 0 0 180.203 2.164 10 0 AEAERN COc1nccc(-c2ccccc2)n1 39264250 571919408 /nfs/dbraw/zinc/91/94/08/571919408.db2.gz OEWGJVCKNFGFNC-UHFFFAOYSA-N 0 0 186.214 2.152 10 0 AEAERN Cc1ccc([C@@H]2C=CC(=O)O2)cc1C 39279113 571919568 /nfs/dbraw/zinc/91/95/68/571919568.db2.gz JWQFDADPBLBMHR-NSHDSACASA-N 0 0 188.226 2.458 10 0 AEAERN C[C@@H]1CC(C)(C)CC[C@H]1O 39274540 571919493 /nfs/dbraw/zinc/91/94/93/571919493.db2.gz OMULITXKHULTEE-HTQZYQBOSA-N 0 0 142.242 2.194 10 0 AEAERN COc1cccc2c1C=CC2 39274934 571919883 /nfs/dbraw/zinc/91/98/83/571919883.db2.gz CKSXTGYGVIQEMH-UHFFFAOYSA-N 0 0 146.189 2.265 10 0 AEAERN O=C1CC[C@@H]1C1=CCCCC1 39264290 571919518 /nfs/dbraw/zinc/91/95/18/571919518.db2.gz DTEAGUWJDWDYLF-SECBINFHSA-N 0 0 150.221 2.466 10 0 AEAERN CCC(CC)CO[C@H](C)[C@@H](C)O 300776221 571919545 /nfs/dbraw/zinc/91/95/45/571919545.db2.gz SOVBSKNRRZYHRH-RKDXNWHRSA-N 0 0 174.284 2.209 10 0 AEAERN OCC/C=C/Cc1cccc(F)c1 687679909 571919556 /nfs/dbraw/zinc/91/95/56/571919556.db2.gz NGSRHFRPBORQEP-OWOJBTEDSA-N 0 0 180.222 2.307 10 0 AEAERN CC(=O)C12CCC(CC1)C2 39279504 571919558 /nfs/dbraw/zinc/91/95/58/571919558.db2.gz KHFLDFPQRASTFG-UHFFFAOYSA-N 0 0 138.210 2.156 10 0 AEAERN Cc1cccc2c1CN=C(Cl)N2 39271346 571919660 /nfs/dbraw/zinc/91/96/60/571919660.db2.gz DAPIVSNVVISLSW-UHFFFAOYSA-N 0 0 180.638 2.325 10 0 AEAERN CC(C)c1nc2n(n1)CCC[C@@H]2C 113407072 571919746 /nfs/dbraw/zinc/91/97/46/571919746.db2.gz NMZJSMIXKROZLJ-QMMMGPOBSA-N 0 0 179.267 2.299 10 0 AEAERN CCC(=O)[C@@](F)(Cl)CC 39271196 571919814 /nfs/dbraw/zinc/91/98/14/571919814.db2.gz UINBGUFCQOCSSY-ZCFIWIBFSA-N 0 0 152.596 2.280 10 0 AEAERN CC1=C[C@@H](O)O[C@H](c2ccccc2)C1 39268780 571919827 /nfs/dbraw/zinc/91/98/27/571919827.db2.gz IGRAXVOCLMPQRF-RYUDHWBXSA-N 0 0 190.242 2.413 10 0 AEAERN COCC(C)(C)C[C@@H]1CCCC1=O 712668397 571919833 /nfs/dbraw/zinc/91/98/33/571919833.db2.gz JMCLDBOCILCHMB-VIFPVBQESA-N 0 0 184.279 2.418 10 0 AEAERN CCOCc1cccs1 39269992 571919860 /nfs/dbraw/zinc/91/98/60/571919860.db2.gz WYPGYMNZQXKDRR-UHFFFAOYSA-N 0 0 142.223 2.285 10 0 AEAERN Nc1ccnc2ccc3[nH]ccc3c12 39269223 571919787 /nfs/dbraw/zinc/91/97/87/571919787.db2.gz FCFBSKOKINDQGK-UHFFFAOYSA-N 0 0 183.214 2.298 10 0 AEAERN O=Cc1cc2cccccc-2c1C=O 39263084 571919798 /nfs/dbraw/zinc/91/97/98/571919798.db2.gz LRJOOGIYYXAZNC-UHFFFAOYSA-N 0 0 184.194 2.416 10 0 AEAERN O=c1[nH]c2ccc3ccccc3c2o1 39274662 571919801 /nfs/dbraw/zinc/91/98/01/571919801.db2.gz HNPPDWSHJHNELW-UHFFFAOYSA-N 0 0 185.182 2.274 10 0 AEAERN COc1cc2c(cc1C)CCC[C@H]2O 39277387 571919805 /nfs/dbraw/zinc/91/98/05/571919805.db2.gz KRHGYKLPDFONPY-LLVKDONJSA-N 0 0 192.258 2.373 10 0 AEAERN CCCCCn1cccn1 39271221 571919964 /nfs/dbraw/zinc/91/99/64/571919964.db2.gz GEPBNSNQBGDCTO-UHFFFAOYSA-N 0 0 138.214 2.073 10 0 AEAERN O=[S@@](c1ccccc1)c1ccc[nH]1 39263623 571920004 /nfs/dbraw/zinc/92/00/04/571920004.db2.gz XXKPCVPCXAWWIU-CYBMUJFWSA-N 0 0 191.255 2.181 10 0 AEAERN C/C=C/[C@@H](O)C(Cl)(Cl)Cl 39278038 571920036 /nfs/dbraw/zinc/92/00/36/571920036.db2.gz APFUCUZIMOHDTP-FSSWKIGTSA-N 0 0 189.469 2.294 10 0 AEAERN CC1(C)[C@@H]2CC(CCO)=C[C@H]1C2 39270436 571920074 /nfs/dbraw/zinc/92/00/74/571920074.db2.gz INGORVXUMWLHFR-VHSXEESVSA-N 0 0 166.264 2.361 10 0 AEAERN CCCC[C@H]1CCC1=O 39271657 571920100 /nfs/dbraw/zinc/92/01/00/571920100.db2.gz KYEUSBNBGPTJSX-ZETCQYMHSA-N 0 0 126.199 2.156 10 0 AEAERN Cc1cccc2c1N(C)CCC2 39276304 571920165 /nfs/dbraw/zinc/92/01/65/571920165.db2.gz NJTSFGBMNQQXDS-UHFFFAOYSA-N 0 0 161.248 2.377 10 0 AEAERN CC(=O)[C@H]1[C@@H](C)C1(Cl)Cl 39271674 571920170 /nfs/dbraw/zinc/92/01/70/571920170.db2.gz VNUBVIMQLGLUEM-NQXXGFSBSA-N 0 0 167.035 2.015 10 0 AEAERN CC(=O)[C@H]1[C@H](C)C1(Cl)Cl 39271675 571920276 /nfs/dbraw/zinc/92/02/76/571920276.db2.gz VNUBVIMQLGLUEM-WVZVXSGGSA-N 0 0 167.035 2.015 10 0 AEAERN Nc1ccc2c(ccc3cc[nH]c32)n1 39269222 571920288 /nfs/dbraw/zinc/92/02/88/571920288.db2.gz GLDZWJBIIKQEQX-UHFFFAOYSA-N 0 0 183.214 2.298 10 0 AEAERN Nc1ccnc2ccc3cc[nH]c3c12 39269221 571920290 /nfs/dbraw/zinc/92/02/90/571920290.db2.gz FLPOLTKFKUFUEL-UHFFFAOYSA-N 0 0 183.214 2.298 10 0 AEAERN CCC(=O)[C@](F)(Cl)CC 39271197 571920324 /nfs/dbraw/zinc/92/03/24/571920324.db2.gz UINBGUFCQOCSSY-LURJTMIESA-N 0 0 152.596 2.280 10 0 AEAERN CCCC[C@@H]1CCC1=O 39271656 571920355 /nfs/dbraw/zinc/92/03/55/571920355.db2.gz KYEUSBNBGPTJSX-SSDOTTSWSA-N 0 0 126.199 2.156 10 0 AEAERN CC(C)(C)C1CCN(O)CC1 39274307 571920410 /nfs/dbraw/zinc/92/04/10/571920410.db2.gz WQARHOBLTFZXDA-UHFFFAOYSA-N 0 0 157.257 2.134 10 0 AEAERN CSCCc1ccc2c(c1)OCO2 39271011 571920413 /nfs/dbraw/zinc/92/04/13/571920413.db2.gz VXICFKRSWQYWHO-UHFFFAOYSA-N 0 0 196.271 2.321 10 0 AEAERN CCCc1cc2ccccc2c(=O)[nH]1 39279600 571920417 /nfs/dbraw/zinc/92/04/17/571920417.db2.gz FOZJMQWBJQCDAT-UHFFFAOYSA-N 0 0 187.242 2.481 10 0 AEAERN CCC(CC)CO[C@@H](C)[C@H](C)O 300776220 571920425 /nfs/dbraw/zinc/92/04/25/571920425.db2.gz SOVBSKNRRZYHRH-IUCAKERBSA-N 0 0 174.284 2.209 10 0 AEAERN C[C@H](/C=C/CO)OCc1ccccc1 39268244 571920431 /nfs/dbraw/zinc/92/04/31/571920431.db2.gz AJVCHDBBLSJHBP-MVIFTORASA-N 0 0 192.258 2.140 10 0 AEAERN CC1=C[C@@H](O)O[C@@H](c2ccccc2)C1 39268782 571920435 /nfs/dbraw/zinc/92/04/35/571920435.db2.gz IGRAXVOCLMPQRF-NEPJUHHUSA-N 0 0 190.242 2.413 10 0 AEAERN C[C@@H]1N=C(c2ccccc2)C(C)(C)N1 39275268 571920459 /nfs/dbraw/zinc/92/04/59/571920459.db2.gz AFYOGFLIUFQHKM-SECBINFHSA-N 0 0 188.274 2.204 10 0 AEAERN O=[S@](c1ccccc1)c1cc[nH]c1 39263660 571920462 /nfs/dbraw/zinc/92/04/62/571920462.db2.gz IGTVXPLEOSTORW-ZDUSSCGKSA-N 0 0 191.255 2.181 10 0 AEAERN Cc1nccc2c(C=O)csc12 30677833 571920496 /nfs/dbraw/zinc/92/04/96/571920496.db2.gz YHTMAXIRWLKFSM-UHFFFAOYSA-N 0 0 177.228 2.417 10 0 AEAERN CC(=O)[C@H]1CC=CC[C@@H]1C 39276203 571920500 /nfs/dbraw/zinc/92/05/00/571920500.db2.gz CWSPUCTYCYIRMV-CBAPKCEASA-N 0 0 138.210 2.178 10 0 AEAERN OCCO[C@H]1CCC[C@H]2CCCC[C@H]12 39279169 571920504 /nfs/dbraw/zinc/92/05/04/571920504.db2.gz NBJUEVWVAJZFLO-WOPDTQHZSA-N 0 0 198.306 2.354 10 0 AEAERN CC(=O)[C@@H]1CC=CC[C@@H]1C 39276205 571920527 /nfs/dbraw/zinc/92/05/27/571920527.db2.gz CWSPUCTYCYIRMV-IONNQARKSA-N 0 0 138.210 2.178 10 0 AEAERN ClC1=NCc2sccc2N1 39271342 571920548 /nfs/dbraw/zinc/92/05/48/571920548.db2.gz DNOZNRBFLLJIBF-UHFFFAOYSA-N 0 0 172.640 2.078 10 0 AEAERN CC(C)c1nc2n(n1)CCC[C@H]2C 113407070 571920554 /nfs/dbraw/zinc/92/05/54/571920554.db2.gz NMZJSMIXKROZLJ-MRVPVSSYSA-N 0 0 179.267 2.299 10 0 AEAERN COc1ccc(NC(=O)S)cc1 39274709 571920595 /nfs/dbraw/zinc/92/05/95/571920595.db2.gz WNSJUSDEXXBKBS-UHFFFAOYSA-N 0 0 183.232 2.157 10 0 AEAERN C[C@H]1CC[C@@H](C)CC(=O)C1 39271458 571920633 /nfs/dbraw/zinc/92/06/33/571920633.db2.gz FWSKLKSKRMVOHH-OCAPTIKFSA-N 0 0 140.226 2.402 10 0 AEAERN C[C@H](O)[C@H](C)CNc1ccccc1 39275444 571920672 /nfs/dbraw/zinc/92/06/72/571920672.db2.gz AEXUPYKDIDMVBG-ZJUUUORDSA-N 0 0 179.263 2.115 10 0 AEAERN CNC(=S)CCc1ccccc1 39277506 571920709 /nfs/dbraw/zinc/92/07/09/571920709.db2.gz ZSWUTKDCWXAFTE-UHFFFAOYSA-N 0 0 179.288 2.166 10 0 AEAERN O[C@@H]1CCc2cc(F)cc(F)c2CC1 139479607 571920787 /nfs/dbraw/zinc/92/07/87/571920787.db2.gz HEXJIKACVVQMNL-SECBINFHSA-N 0 0 198.212 2.205 10 0 AEAERN CC(C)[C@H]1C(=O)Nc2ccc(O)cc21 139474443 571920888 /nfs/dbraw/zinc/92/08/88/571920888.db2.gz ONHLSZHVSXMLRP-SNVBAGLBSA-N 0 0 191.230 2.084 10 0 AEAERN O[C@H]1CCCc2c(F)cc(F)cc2C1 139455112 571920906 /nfs/dbraw/zinc/92/09/06/571920906.db2.gz CMSRNBNVKCBFFN-VIFPVBQESA-N 0 0 198.212 2.205 10 0 AEAERN CC(C)=C[C@H](O)C1=CC1(C)C 39343440 571920958 /nfs/dbraw/zinc/92/09/58/571920958.db2.gz FDSMVUBXGZGDTB-VIFPVBQESA-N 0 0 152.237 2.280 10 0 AEAERN C[C@@H]1c2ccccc2NC(=O)[C@@H]1C 39318530 571921231 /nfs/dbraw/zinc/92/12/31/571921231.db2.gz SEQPVCIAWHVRTD-JGVFFNPUSA-N 0 0 175.231 2.378 10 0 AEAERN CC/C(=C\CO)c1cccc(O)c1 687679632 571921240 /nfs/dbraw/zinc/92/12/40/571921240.db2.gz POBKIXVEAZZQMI-RMKNXTFCSA-N 0 0 178.231 2.178 10 0 AEAERN O[C@@H]1CCc2cc(Cl)ccc2C1 139444147 571921256 /nfs/dbraw/zinc/92/12/56/571921256.db2.gz ODXLKJXRXRPXLV-SNVBAGLBSA-N 0 0 182.650 2.190 10 0 AEAERN CC(=O)COC[C@H]1CCC[C@H](C)C1 300781346 571921296 /nfs/dbraw/zinc/92/12/96/571921296.db2.gz RYDYITOFLXARGY-ONGXEEELSA-N 0 0 184.279 2.418 10 0 AEAERN CCOC(=O)/C=C\c1occc1C 687679888 571921272 /nfs/dbraw/zinc/92/12/72/571921272.db2.gz ZVDYALLUOCBVKB-PLNGDYQASA-N 0 0 180.203 2.164 10 0 AEAERN S=C1NCCC[C@H]1c1ccccc1 196142885 571921287 /nfs/dbraw/zinc/92/12/87/571921287.db2.gz UUXHNCLSMGTVQB-JTQLQIEISA-N 0 0 191.299 2.481 10 0 AEAERN CSC[C@@H](C)[C@@H](O)c1cccnc1 300777977 571921311 /nfs/dbraw/zinc/92/13/11/571921311.db2.gz AEXXNWJRFIILAS-PSASIEDQSA-N 0 0 197.303 2.114 10 0 AEAERN Nc1ccc(C=Cc2c[nH]cn2)cc1 139454139 571921321 /nfs/dbraw/zinc/92/13/21/571921321.db2.gz ZOCBAVZJRMAEHG-ZZXKWVIFSA-N 0 0 185.230 2.162 10 0 AEAERN CCOc1cc(C)nc(Cl)c1 39330111 571921399 /nfs/dbraw/zinc/92/13/99/571921399.db2.gz CUZSMXYTVABRJM-UHFFFAOYSA-N 0 0 171.627 2.442 10 0 AEAERN O[C@H]1CCc2cc(F)cc(F)c2CC1 139479497 571921420 /nfs/dbraw/zinc/92/14/20/571921420.db2.gz HEXJIKACVVQMNL-VIFPVBQESA-N 0 0 198.212 2.205 10 0 AEAERN CC(C)[S@@](=O)Cc1ccccc1 143212427 571921454 /nfs/dbraw/zinc/92/14/54/571921454.db2.gz LWCUUNUBFHTRDL-GFCCVEGCSA-N 0 0 182.288 2.344 10 0 AEAERN CCCCOc1cccnc1 39338393 571921440 /nfs/dbraw/zinc/92/14/40/571921440.db2.gz SEFRRCOWPOLZOE-UHFFFAOYSA-N 0 0 151.209 2.261 10 0 AEAERN CCC(=O)[C@H]1CC=CCC1 39332641 571921467 /nfs/dbraw/zinc/92/14/67/571921467.db2.gz XQJGIRRVOAVGGT-QMMMGPOBSA-N 0 0 138.210 2.322 10 0 AEAERN CCc1c2cccccc-2[nH]c1=O 39317125 571921488 /nfs/dbraw/zinc/92/14/88/571921488.db2.gz CKGJZQIXZIBOJC-UHFFFAOYSA-N 0 0 173.215 2.042 10 0 AEAERN CCc1cnn(-c2ccccc2)c1 39334932 571921520 /nfs/dbraw/zinc/92/15/20/571921520.db2.gz LNMOYEQAVVCQKY-UHFFFAOYSA-N 0 0 172.231 2.435 10 0 AEAERN Cc1ccc(C/C=C/CCO)cc1 687679582 571921523 /nfs/dbraw/zinc/92/15/23/571921523.db2.gz PYKSKWKPEPFUNW-NSCUHMNNSA-N 0 0 176.259 2.476 10 0 AEAERN C[C@@H]1C(=O)Nc2ccccc2[C@H]1C 39318532 571921544 /nfs/dbraw/zinc/92/15/44/571921544.db2.gz SEQPVCIAWHVRTD-YUMQZZPRSA-N 0 0 175.231 2.378 10 0 AEAERN OCC/C=C/Cc1ccccc1F 687679903 571921541 /nfs/dbraw/zinc/92/15/41/571921541.db2.gz DDXOLURKVRSUFS-OWOJBTEDSA-N 0 0 180.222 2.307 10 0 AEAERN OCC/C=C/Cc1ccc(F)cc1 687679921 571921551 /nfs/dbraw/zinc/92/15/51/571921551.db2.gz QBNBJFCOMSSKPK-OWOJBTEDSA-N 0 0 180.222 2.307 10 0 AEAERN CC(=O)NC1=C2CCCC[C@H]2SC1 139439316 571921566 /nfs/dbraw/zinc/92/15/66/571921566.db2.gz RXSBNJZLXPIBPL-SNVBAGLBSA-N 0 0 197.303 2.066 10 0 AEAERN Cc1cccc(C/C=C/CCO)c1 687679583 571921601 /nfs/dbraw/zinc/92/16/01/571921601.db2.gz XOVNOTCCXCGEKM-NSCUHMNNSA-N 0 0 176.259 2.476 10 0 AEAERN CC(C)=C[C@@H](O)C1=CC1(C)C 39343441 571921617 /nfs/dbraw/zinc/92/16/17/571921617.db2.gz FDSMVUBXGZGDTB-SECBINFHSA-N 0 0 152.237 2.280 10 0 AEAERN CCCc1ccnc(=S)[nH]1 39318554 571921624 /nfs/dbraw/zinc/92/16/24/571921624.db2.gz SACRINBGNIWUIP-UHFFFAOYSA-N 0 0 154.238 2.092 10 0 AEAERN CCC(=O)[C@@H]1CC=CCC1 39332642 571921626 /nfs/dbraw/zinc/92/16/26/571921626.db2.gz XQJGIRRVOAVGGT-MRVPVSSYSA-N 0 0 138.210 2.322 10 0 AEAERN CCCCC[S@@](=O)C(C)C 137644938 571921657 /nfs/dbraw/zinc/92/16/57/571921657.db2.gz XWGWVOGOXYPHJO-JTQLQIEISA-N 0 0 162.298 2.334 10 0 AEAERN COC1(OC)CCCCCC1 39332521 571921717 /nfs/dbraw/zinc/92/17/17/571921717.db2.gz SCMRFBUXJKBAHD-UHFFFAOYSA-N 0 0 158.241 2.330 10 0 AEAERN CC(C)C[C@H](O)C1=CC1(C)C 39343438 571921868 /nfs/dbraw/zinc/92/18/68/571921868.db2.gz UZWOPPWDPXPQQG-VIFPVBQESA-N 0 0 154.253 2.360 10 0 AEAERN CCC[C@@H]1Oc2ccccc2NC1=O 39332598 571921876 /nfs/dbraw/zinc/92/18/76/571921876.db2.gz CQAWVZXZFXMKEN-JTQLQIEISA-N 0 0 191.230 2.186 10 0 AEAERN Oc1cccc2c1SCC2 39343484 571921911 /nfs/dbraw/zinc/92/19/11/571921911.db2.gz GHMLPRFJQKRZGF-UHFFFAOYSA-N 0 0 152.218 2.040 10 0 AEAERN CC(C)(O)c1cc(Cl)ccc1O 39332904 571921924 /nfs/dbraw/zinc/92/19/24/571921924.db2.gz IQRRLQMGSBODDN-UHFFFAOYSA-N 0 0 186.638 2.273 10 0 AEAERN CC(C)(C)N(O)c1ccc(CO)cc1 196140547 571921959 /nfs/dbraw/zinc/92/19/59/571921959.db2.gz NXWQMBVIZLKTIE-UHFFFAOYSA-N 0 0 195.262 2.173 10 0 AEAERN O=C1CCCC[C@@]12C=CCC2 39341602 571922016 /nfs/dbraw/zinc/92/20/16/571922016.db2.gz DQEWRUCBOXVWKE-JTQLQIEISA-N 0 0 150.221 2.466 10 0 AEAERN CC(C)C[C@@H](O)C1=CC1(C)C 39343439 571922023 /nfs/dbraw/zinc/92/20/23/571922023.db2.gz UZWOPPWDPXPQQG-SECBINFHSA-N 0 0 154.253 2.360 10 0 AEAERN CNC(=O)Sc1ccc(F)cc1 39331566 571922035 /nfs/dbraw/zinc/92/20/35/571922035.db2.gz SUDATYLGWISGOS-UHFFFAOYSA-N 0 0 185.223 2.257 10 0 AEAERN Cc1ccsc1C1OCCO1 39341936 571922060 /nfs/dbraw/zinc/92/20/60/571922060.db2.gz UXXOEDMEGTWEBV-UHFFFAOYSA-N 0 0 170.233 2.102 10 0 AEAERN CC(C)[S@](=O)Cc1ccccc1 143212610 571922113 /nfs/dbraw/zinc/92/21/13/571922113.db2.gz LWCUUNUBFHTRDL-LBPRGKRZSA-N 0 0 182.288 2.344 10 0 AEAERN O[C@H]1CCCc2cc(F)cc(F)c21 139443276 571922172 /nfs/dbraw/zinc/92/21/72/571922172.db2.gz TZVSCDQSGHNCOE-VIFPVBQESA-N 0 0 184.185 2.335 10 0 AEAERN C=C/C(F)=C/Cl 113412712 571922202 /nfs/dbraw/zinc/92/22/02/571922202.db2.gz MOGCPCFNQVXENK-ARJAWSKDSA-N 0 0 106.527 2.222 10 0 AEAERN CC(=O)CCC=C=C(C)C 196143051 571922262 /nfs/dbraw/zinc/92/22/62/571922262.db2.gz GKMIKGPHKNLELE-UHFFFAOYSA-N 0 0 138.210 2.477 10 0 AEAERN C[C@@H]1C(=O)Nc2ccccc2[C@@H]1C 39318533 571922525 /nfs/dbraw/zinc/92/25/25/571922525.db2.gz SEQPVCIAWHVRTD-SFYZADRCSA-N 0 0 175.231 2.378 10 0 AEAERN Cc1ccc([C@H]2OC(=O)N[C@@H]2C)cc1 39343648 571922351 /nfs/dbraw/zinc/92/23/51/571922351.db2.gz IDAPRNCNPGFWNT-SCZZXKLOSA-N 0 0 191.230 2.164 10 0 AEAERN OCC/C=C/CC1CCSCC1 687680647 571922357 /nfs/dbraw/zinc/92/23/57/571922357.db2.gz PIFFZWLRGUSABD-OWOJBTEDSA-N 0 0 186.320 2.458 10 0 AEAERN C1=CC(=C2CCOCC2)C=C1 39342073 571922363 /nfs/dbraw/zinc/92/23/63/571922363.db2.gz BNVOPPDJIMGSJB-UHFFFAOYSA-N 0 0 148.205 2.219 10 0 AEAERN CCOC(=O)/C=C1/CCS[C@@H]1C 687680590 571922488 /nfs/dbraw/zinc/92/24/88/571922488.db2.gz YTMXTPIWRHQRAK-QHRPWQPMSA-N 0 0 186.276 2.001 10 0 AEAERN c1cnc2c(c1)-c1cnccc1-2 39319760 571922660 /nfs/dbraw/zinc/92/26/60/571922660.db2.gz YBWQKNQBFSFJMQ-UHFFFAOYSA-N 0 0 154.172 2.124 10 0 AEAERN CCc1n[nH]c(CCC(C)(C)C)n1 300777835 571922673 /nfs/dbraw/zinc/92/26/73/571922673.db2.gz AVAQVCSIJSLNKJ-UHFFFAOYSA-N 0 0 181.283 2.346 10 0 AEAERN C[C@H]1C(=O)Nc2ccccc2[C@@H]1C 39318531 571922740 /nfs/dbraw/zinc/92/27/40/571922740.db2.gz SEQPVCIAWHVRTD-HTQZYQBOSA-N 0 0 175.231 2.378 10 0 AEAERN CCC[C@H]1Oc2ccccc2NC1=O 39332597 571922960 /nfs/dbraw/zinc/92/29/60/571922960.db2.gz CQAWVZXZFXMKEN-SNVBAGLBSA-N 0 0 191.230 2.186 10 0 AEAERN CC(C)=C[C@H]1CCC[C@@H]1O 196143071 571922771 /nfs/dbraw/zinc/92/27/71/571922771.db2.gz KKCXNKZRQMDFOD-BDAKNGLRSA-N 0 0 140.226 2.114 10 0 AEAERN O=C1CCCC[C@]12C=CCC2 39341601 571922778 /nfs/dbraw/zinc/92/27/78/571922778.db2.gz DQEWRUCBOXVWKE-SNVBAGLBSA-N 0 0 150.221 2.466 10 0 AEAERN Cc1ccc([C@@H]2OC(=O)N[C@H]2C)cc1 39343647 571922869 /nfs/dbraw/zinc/92/28/69/571922869.db2.gz IDAPRNCNPGFWNT-WCBMZHEXSA-N 0 0 191.230 2.164 10 0 AEAERN Cc1ccc([C@H]2OC(=O)N[C@H]2C)cc1 39343646 571922875 /nfs/dbraw/zinc/92/28/75/571922875.db2.gz IDAPRNCNPGFWNT-WPRPVWTQSA-N 0 0 191.230 2.164 10 0 AEAERN CCc1ccc(O)c2c1CCC2 39339345 571922880 /nfs/dbraw/zinc/92/28/80/571922880.db2.gz YCSIKECJCUUAQN-UHFFFAOYSA-N 0 0 162.232 2.443 10 0 AEAERN CC(=O)COC[C@H]1CCC[C@@H](C)C1 300781340 571922901 /nfs/dbraw/zinc/92/29/01/571922901.db2.gz RYDYITOFLXARGY-KOLCDFICSA-N 0 0 184.279 2.418 10 0 AEAERN CCOC(=O)/C=C1/CCS[C@H]1C 687680591 571922917 /nfs/dbraw/zinc/92/29/17/571922917.db2.gz YTMXTPIWRHQRAK-VQKCLUMFSA-N 0 0 186.276 2.001 10 0 AEAERN COC(=O)/C=C/[C@H]1CCCCS1 687680617 571922967 /nfs/dbraw/zinc/92/29/67/571922967.db2.gz NVCOZLZQRYKXFN-HQZHTGGTSA-N 0 0 186.276 2.001 10 0 AEAERN CC1C[C@@H]2CC(O)C[C@H](C1)C2 39348812 571923385 /nfs/dbraw/zinc/92/33/85/571923385.db2.gz GLQLJZMRXJFYIM-XWJSGITJSA-N 0 0 154.253 2.194 10 0 AEAERN COC(=O)/C=C/[C@@H]1CCCCS1 687680616 571923387 /nfs/dbraw/zinc/92/33/87/571923387.db2.gz NVCOZLZQRYKXFN-GJIOHYHPSA-N 0 0 186.276 2.001 10 0 AEAERN CSC[C@H](C)[C@@H](O)c1cccnc1 300777981 571923473 /nfs/dbraw/zinc/92/34/73/571923473.db2.gz AEXXNWJRFIILAS-WCBMZHEXSA-N 0 0 197.303 2.114 10 0 AEAERN CC(C)[C@H](O)C=C(Cl)Cl 39377264 571923608 /nfs/dbraw/zinc/92/36/08/571923608.db2.gz VSPOVVCEQXSGTN-RXMQYKEDSA-N 0 0 169.051 2.322 10 0 AEAERN CSC[C@H](C)[C@H](O)c1cccnc1 300777983 571923682 /nfs/dbraw/zinc/92/36/82/571923682.db2.gz AEXXNWJRFIILAS-WPRPVWTQSA-N 0 0 197.303 2.114 10 0 AEAERN COC(=O)C/C=C/[C@H]1CCCS1 687680565 571923693 /nfs/dbraw/zinc/92/36/93/571923693.db2.gz OIEMHFXJIXDFEM-KHVHVRLGSA-N 0 0 186.276 2.001 10 0 AEAERN COc1ccc2c(C)c[nH]c2c1OC 39365867 571923769 /nfs/dbraw/zinc/92/37/69/571923769.db2.gz ZDPZFOWIHNTEBY-UHFFFAOYSA-N 0 0 191.230 2.494 10 0 AEAERN CCOC(=O)/C=C/[C@@H]1CCCS1 687680547 571923949 /nfs/dbraw/zinc/92/39/49/571923949.db2.gz JXGIXVRSLWOJJO-GJIOHYHPSA-N 0 0 186.276 2.001 10 0 AEAERN CC/C(=C/c1ccccc1O)CO 39378610 571924532 /nfs/dbraw/zinc/92/45/32/571924532.db2.gz OHPMKUOJONIUEH-CLFYSBASSA-N 0 0 178.231 2.178 10 0 AEAERN COC(C)(C)[C@@H](C)[C@H](O)C(C)C 300782404 571924537 /nfs/dbraw/zinc/92/45/37/571924537.db2.gz VKHRHGRMDCZKIS-DTWKUNHWSA-N 0 0 174.284 2.064 10 0 AEAERN CC(C)[C@@H](O)C=C(Cl)Cl 39377265 571924103 /nfs/dbraw/zinc/92/41/03/571924103.db2.gz VSPOVVCEQXSGTN-YFKPBYRVSA-N 0 0 169.051 2.322 10 0 AEAERN CC(C)=Cn1cccc1 39073521 571924140 /nfs/dbraw/zinc/92/41/40/571924140.db2.gz HIJFFYDIFBPAKM-UHFFFAOYSA-N 0 0 121.183 2.369 10 0 AEAERN OCn1ccc(Cc2ccccc2)c1 39349161 571924159 /nfs/dbraw/zinc/92/41/59/571924159.db2.gz CIIUBDPSRJOJCR-UHFFFAOYSA-N 0 0 187.242 2.029 10 0 AEAERN COC(=O)C/C=C/[C@@H]1CCCS1 687680564 571924182 /nfs/dbraw/zinc/92/41/82/571924182.db2.gz OIEMHFXJIXDFEM-BYDTYLDUSA-N 0 0 186.276 2.001 10 0 AEAERN c1cc2csnc2s1 39348660 571924274 /nfs/dbraw/zinc/92/42/74/571924274.db2.gz OOJKFYBBBHWBTA-UHFFFAOYSA-N 0 0 141.220 2.358 10 0 AEAERN COC(=O)/C=C/C[C@H]1CCCS1 687680613 571924301 /nfs/dbraw/zinc/92/43/01/571924301.db2.gz BJQYLFFTMJLMLK-HYTREOMXSA-N 0 0 186.276 2.001 10 0 AEAERN CO[C@H](C)CCC(=O)c1ccns1 400541535 571924373 /nfs/dbraw/zinc/92/43/73/571924373.db2.gz YHRRZMFRLJKXEO-SSDOTTSWSA-N 0 0 199.275 2.141 10 0 AEAERN Cc1ccc(C)c2nsnc12 39367028 571924480 /nfs/dbraw/zinc/92/44/80/571924480.db2.gz HGMZVWRYEANWTD-UHFFFAOYSA-N 0 0 164.233 2.308 10 0 AEAERN CN(C)c1cccc2c1CCCC2=O 39369619 571924642 /nfs/dbraw/zinc/92/46/42/571924642.db2.gz PCIOSAVTLUMLDP-UHFFFAOYSA-N 0 0 189.258 2.272 10 0 AEAERN CCCCCC[C@@H](F)CO 39374289 571924696 /nfs/dbraw/zinc/92/46/96/571924696.db2.gz PXUHUAWWMDRECM-MRVPVSSYSA-N 0 0 148.221 2.287 10 0 AEAERN COC(=O)/C=C/Cc1cccs1 687680092 571924727 /nfs/dbraw/zinc/92/47/27/571924727.db2.gz UKMAMHDCAUGVRJ-QHHAFSJGSA-N 0 0 182.244 2.020 10 0 AEAERN Cc1nc(CO)n(CC(C)(C)C)c1C 713129597 571924872 /nfs/dbraw/zinc/92/48/72/571924872.db2.gz HWDDELBKFIYHHR-UHFFFAOYSA-N 0 0 196.294 2.038 10 0 AEAERN COC(=O)/C=C\C=C/C1CCCC1 687679955 571924880 /nfs/dbraw/zinc/92/48/80/571924880.db2.gz SXZLQPFFFNREJV-XEQVNJCQSA-N 0 0 180.247 2.462 10 0 AEAERN CCNC(=S)SCC(C)C 39368483 571924887 /nfs/dbraw/zinc/92/48/87/571924887.db2.gz IIJLXYXLGPKNBF-UHFFFAOYSA-N 0 0 177.338 2.270 10 0 AEAERN OC1(c2nccs2)CCCCC1 39366336 571924963 /nfs/dbraw/zinc/92/49/63/571924963.db2.gz BOXJDMBKFGWYJM-UHFFFAOYSA-N 0 0 183.276 2.295 10 0 AEAERN c1cc2ccc3nnsc3c2cn1 39382229 571925023 /nfs/dbraw/zinc/92/50/23/571925023.db2.gz QENNNRCADWOEQS-UHFFFAOYSA-N 0 0 187.227 2.240 10 0 AEAERN CC(C)(C)CCC[C@@H](O)c1cn[nH]n1 300783072 571925108 /nfs/dbraw/zinc/92/51/08/571925108.db2.gz BLWFAGSRHARAJQ-SECBINFHSA-N 0 0 197.282 2.055 10 0 AEAERN CCC(=O)CC(C)(F)F 39382632 571925155 /nfs/dbraw/zinc/92/51/55/571925155.db2.gz QTYINGFTLXNXLW-UHFFFAOYSA-N 0 0 136.141 2.011 10 0 AEAERN CC(C)c1nc(Cl)sc1CO 39348384 571925195 /nfs/dbraw/zinc/92/51/95/571925195.db2.gz STUXOONJFFCWIP-UHFFFAOYSA-N 0 0 191.683 2.412 10 0 AEAERN COc1cscc1C 39384368 571925199 /nfs/dbraw/zinc/92/51/99/571925199.db2.gz HGDGACBSGVRCSM-UHFFFAOYSA-N 0 0 128.196 2.065 10 0 AEAERN Cc1ccnc2nccc(C)c12 39365565 571925242 /nfs/dbraw/zinc/92/52/42/571925242.db2.gz SGGZIDMHAYQQCA-UHFFFAOYSA-N 0 0 158.204 2.247 10 0 AEAERN COc1cc2c(cc1C)CCC2 39383433 571925302 /nfs/dbraw/zinc/92/53/02/571925302.db2.gz LDJOSONRJMJPSF-UHFFFAOYSA-N 0 0 162.232 2.492 10 0 AEAERN O=c1[nH]c(Cl)cc2occc12 39369288 571925407 /nfs/dbraw/zinc/92/54/07/571925407.db2.gz TYQHRHDUETZJST-UHFFFAOYSA-N 0 0 169.567 2.187 10 0 AEAERN CSC[C@H](C)[C@H](O)c1ccoc1 300782915 571925422 /nfs/dbraw/zinc/92/54/22/571925422.db2.gz VNIRDUSTFCDXBN-CBAPKCEASA-N 0 0 186.276 2.312 10 0 AEAERN CC1=CC[C@H](C)C(C)(C)[C@H]1O 196148234 571925476 /nfs/dbraw/zinc/92/54/76/571925476.db2.gz WPCLSYWNVFMUKD-IUCAKERBSA-N 0 0 154.253 2.360 10 0 AEAERN COC(=O)/C=C\c1coc(Cl)c1 687680664 571925539 /nfs/dbraw/zinc/92/55/39/571925539.db2.gz LZQMAXJFWWWMNN-IHWYPQMZSA-N 0 0 186.594 2.119 10 0 AEAERN COC(=O)C(=O)Cc1cccc(C)c1 687681387 571925567 /nfs/dbraw/zinc/92/55/67/571925567.db2.gz ICPBCGNXIWJUQK-JXMROGBWSA-N 0 0 192.214 2.067 10 0 AEAERN C=C(SCC)C(=S)NCC 39365216 571925666 /nfs/dbraw/zinc/92/56/66/571925666.db2.gz FICXZHQACUUQQD-UHFFFAOYSA-N 0 0 175.322 2.190 10 0 AEAERN COC(C)(C)[C@H](C)[C@H](O)C(C)C 300782412 571925691 /nfs/dbraw/zinc/92/56/91/571925691.db2.gz VKHRHGRMDCZKIS-RKDXNWHRSA-N 0 0 174.284 2.064 10 0 AEAERN CC(C)N(O)C(=O)OC(C)(C)C 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/nfs/dbraw/zinc/93/50/38/571935038.db2.gz UOWHIBDIGTZXQN-QXFUBDJGSA-N 0 0 152.237 2.402 10 0 AEAERN Cc1ncc([C@]2(O)CCC2(C)C)s1 687899641 571935050 /nfs/dbraw/zinc/93/50/50/571935050.db2.gz BMYSJZBLHYWGBP-SNVBAGLBSA-N 0 0 197.303 2.459 10 0 AEAERN C[C@H]1CC[C@H]2CCCC(=O)[C@@H]12 39650770 571935245 /nfs/dbraw/zinc/93/52/45/571935245.db2.gz UOWHIBDIGTZXQN-XKSSXDPKSA-N 0 0 152.237 2.402 10 0 AEAERN CCOC(=O)N1[C@@H](C)CC[C@H]1C 39644050 571935247 /nfs/dbraw/zinc/93/52/47/571935247.db2.gz QNCVOSGYCFMOFD-OCAPTIKFSA-N 0 0 171.240 2.016 10 0 AEAERN O=Cc1c[nH]c2ccc3cc[nH]c3c12 39630791 571935249 /nfs/dbraw/zinc/93/52/49/571935249.db2.gz YZOHBGQAAADKRF-UHFFFAOYSA-N 0 0 184.198 2.462 10 0 AEAERN O=Cc1nsnc1-c1ccccc1 39648819 571935265 /nfs/dbraw/zinc/93/52/65/571935265.db2.gz RVLTVNYPRRGRIH-UHFFFAOYSA-N 0 0 190.227 2.018 10 0 AEAERN C[C@@H]1[C@@H]2C[C@H]3C[C@@H](C2)[C@@H](O)[C@@H]1C3 39644655 571935306 /nfs/dbraw/zinc/93/53/06/571935306.db2.gz RIVBKQYYKFPXEX-UATFONFRSA-N 0 0 166.264 2.049 10 0 AEAERN CCCCN(CCC)C(=O)CC 79274932 571935404 /nfs/dbraw/zinc/93/54/04/571935404.db2.gz QLWJDIXJAIOIOV-UHFFFAOYSA-N 0 0 171.284 2.435 10 0 AEAERN CC(=O)c1cc(Br)co1 39651336 571935491 /nfs/dbraw/zinc/93/54/91/571935491.db2.gz GZKKMOATJGYHHT-UHFFFAOYSA-N 0 0 189.008 2.245 10 0 AEAERN Cc1ncc([C@@]2(O)CC[C@H](C)C2)s1 687900378 571939900 /nfs/dbraw/zinc/93/99/00/571939900.db2.gz FYKNISXMUJGYNR-OIBJUYFYSA-N 0 0 197.303 2.459 10 0 AEAERN [NH3+]CC[C@H](CCC1CCCC1)C(=O)[O-] 300803529 571935506 /nfs/dbraw/zinc/93/55/06/571935506.db2.gz VVYHIJDBWQWXTO-JTQLQIEISA-N 0 0 199.294 2.006 10 0 AEAERN C[C@@H]1CC[C@H]2CCCC(=O)[C@@H]12 39650769 571935412 /nfs/dbraw/zinc/93/54/12/571935412.db2.gz UOWHIBDIGTZXQN-MRTMQBJTSA-N 0 0 152.237 2.402 10 0 AEAERN Cc1ccc2c(C)c(=O)n(C)c-2cc1 139077817 571935640 /nfs/dbraw/zinc/93/56/40/571935640.db2.gz BUPNEDNELGNYFR-UHFFFAOYSA-N 0 0 187.242 2.107 10 0 AEAERN CC(C)n1nccc1[C@@H](C)C[C@@H](C)O 300803552 571935660 /nfs/dbraw/zinc/93/56/60/571935660.db2.gz WTBOMFSFZNLDRV-VHSXEESVSA-N 0 0 196.294 2.338 10 0 AEAERN CCC(CC)[N@H+](C)C/C=C(\C)C(=O)[O-] 214611668 571935530 /nfs/dbraw/zinc/93/55/30/571935530.db2.gz VKEOLTSDEHVWCC-VQHVLOKHSA-N 0 0 199.294 2.138 10 0 AEAERN Cc1cc(-c2cccs2)n(C)n1 113828093 571935532 /nfs/dbraw/zinc/93/55/32/571935532.db2.gz XABGQQHKZMCMGD-UHFFFAOYSA-N 0 0 178.260 2.457 10 0 AEAERN c1ccc2c(c1)ccc1nonc12 39629434 571935695 /nfs/dbraw/zinc/93/56/95/571935695.db2.gz NJTRQUAVHGAZEB-UHFFFAOYSA-N 0 0 170.171 2.376 10 0 AEAERN Cc1ccncc1-c1ncc(N)cc1C 235778571 571935703 /nfs/dbraw/zinc/93/57/03/571935703.db2.gz HKDJCJYBRBCYPB-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CC(C)N(C=O)Cc1ccccc1 39643830 571935716 /nfs/dbraw/zinc/93/57/16/571935716.db2.gz RHXFJGMJSZASIN-UHFFFAOYSA-N 0 0 177.247 2.053 10 0 AEAERN CC[C@@H]1OCC[C@H]1[C@@H](O)c1ccco1 233966680 571935720 /nfs/dbraw/zinc/93/57/20/571935720.db2.gz SYUVMWCJDFOFCC-WCABBAIRSA-N 0 0 196.246 2.128 10 0 AEAERN CC(C)n1nccc1[C@H](C)C[C@H](C)O 300803554 571935723 /nfs/dbraw/zinc/93/57/23/571935723.db2.gz WTBOMFSFZNLDRV-ZJUUUORDSA-N 0 0 196.294 2.338 10 0 AEAERN C[C@H]1CC(=O)[C@H](C)C1(C)C 39641582 571935743 /nfs/dbraw/zinc/93/57/43/571935743.db2.gz WFQIZSACCHAGQV-BQBZGAKWSA-N 0 0 140.226 2.258 10 0 AEAERN CC(C)n1nccc1[C@@H](C)C[C@H](C)O 300803550 571935807 /nfs/dbraw/zinc/93/58/07/571935807.db2.gz WTBOMFSFZNLDRV-UWVGGRQHSA-N 0 0 196.294 2.338 10 0 AEAERN CCn1c(=O)c(C)cc2ccccc21 113826964 571935939 /nfs/dbraw/zinc/93/59/39/571935939.db2.gz DDQLVOHUXRHULO-UHFFFAOYSA-N 0 0 187.242 2.330 10 0 AEAERN CC[C@@H](C)C(=O)C1(O)CCCCC1 233968382 571936028 /nfs/dbraw/zinc/93/60/28/571936028.db2.gz HFGALWSVXNQHBS-SECBINFHSA-N 0 0 184.279 2.297 10 0 AEAERN CC(C)O[C@H]1CCCCC[C@@H]1O 39651726 571936108 /nfs/dbraw/zinc/93/61/08/571936108.db2.gz JUOHXBZJLMSWBS-UWVGGRQHSA-N 0 0 172.268 2.105 10 0 AEAERN C[C@@H]1Oc2cccc(O)c2[C@@H]1C 75546082 571936116 /nfs/dbraw/zinc/93/61/16/571936116.db2.gz AESWLPAJLZVDND-RQJHMYQMSA-N 0 0 164.204 2.277 10 0 AEAERN CC1(C)CCc2ccc(N)cc2O1 39651691 571936090 /nfs/dbraw/zinc/93/60/90/571936090.db2.gz XDAJHJKOMORXGM-UHFFFAOYSA-N 0 0 177.247 2.372 10 0 AEAERN O=Cc1cc2ccc3[nH]ccc3c2[nH]1 39630789 571936158 /nfs/dbraw/zinc/93/61/58/571936158.db2.gz CWPMQQGFHVGASW-UHFFFAOYSA-N 0 0 184.198 2.462 10 0 AEAERN CCCSC/C=C(\C)C(=O)OC 214616145 571936165 /nfs/dbraw/zinc/93/61/65/571936165.db2.gz FUWRUPMWAGFRIH-VMPITWQZSA-N 0 0 188.292 2.249 10 0 AEAERN C[C@@H]1C(=O)C[C@@H](C)C1(C)C 39641583 571936170 /nfs/dbraw/zinc/93/61/70/571936170.db2.gz WFQIZSACCHAGQV-RNFRBKRXSA-N 0 0 140.226 2.258 10 0 AEAERN C[C@H]1CC(=O)N(Cc2ccccc2)C1 39642955 571936213 /nfs/dbraw/zinc/93/62/13/571936213.db2.gz CCMHVWWCZGBLDB-JTQLQIEISA-N 0 0 189.258 2.055 10 0 AEAERN [NH3+]CC[C@@H](CCC1CCCC1)C(=O)[O-] 300803531 571936260 /nfs/dbraw/zinc/93/62/60/571936260.db2.gz VVYHIJDBWQWXTO-SNVBAGLBSA-N 0 0 199.294 2.006 10 0 AEAERN O=Cc1c(O)ccc2sccc12 39649085 571936331 /nfs/dbraw/zinc/93/63/31/571936331.db2.gz BYXFSEODFBCMNO-UHFFFAOYSA-N 0 0 178.212 2.419 10 0 AEAERN CCOC(=O)/C=C/[C@H]1CC=CCC1 34622123 571936350 /nfs/dbraw/zinc/93/63/50/571936350.db2.gz LWSAIPNOVZOFMP-DDXVTDLHSA-N 0 0 180.247 2.462 10 0 AEAERN Cc1ccc([C@@H](C)OCCO)cc1 34622130 571936391 /nfs/dbraw/zinc/93/63/91/571936391.db2.gz WWXUYLAOEBBBSX-SNVBAGLBSA-N 0 0 180.247 2.065 10 0 AEAERN CCC(CC)CO[C@H]1CCC[C@@H]1O 300801352 571936362 /nfs/dbraw/zinc/93/63/62/571936362.db2.gz DZAOBOYTNWKOSH-QWRGUYRKSA-N 0 0 186.295 2.353 10 0 AEAERN CN(CC(C)(C)C)c1cc(N)ns1 234292233 571939919 /nfs/dbraw/zinc/93/99/19/571939919.db2.gz CFJSDTTZPASTTJ-UHFFFAOYSA-N 0 0 199.323 2.208 10 0 AEAERN Cc1cc(C)c(C)c(OC(N)=O)c1 39649821 571936473 /nfs/dbraw/zinc/93/64/73/571936473.db2.gz STDDOQHTBALAFC-UHFFFAOYSA-N 0 0 179.219 2.069 10 0 AEAERN COP(=O)(OC)C(Cl)C=O 39646434 571936489 /nfs/dbraw/zinc/93/64/89/571936489.db2.gz ONPBBWQFZLRRMY-ONEGZZNKSA-N 0 0 186.531 2.068 10 0 AEAERN C[C@H]1Oc2cccc(O)c2[C@H]1C 75546076 571939924 /nfs/dbraw/zinc/93/99/24/571939924.db2.gz AESWLPAJLZVDND-NKWVEPMBSA-N 0 0 164.204 2.277 10 0 AEAERN C[C@@H]1CC(=O)N(Cc2ccccc2)C1 39642954 571936653 /nfs/dbraw/zinc/93/66/53/571936653.db2.gz CCMHVWWCZGBLDB-SNVBAGLBSA-N 0 0 189.258 2.055 10 0 AEAERN C[C@H]1CC(=O)[C@@H](C)C1(C)C 39641585 571936731 /nfs/dbraw/zinc/93/67/31/571936731.db2.gz WFQIZSACCHAGQV-NKWVEPMBSA-N 0 0 140.226 2.258 10 0 AEAERN COCNc1ccc(C)cc1 39642390 571936746 /nfs/dbraw/zinc/93/67/46/571936746.db2.gz KZDXSQUQFVFDTI-UHFFFAOYSA-N 0 0 151.209 2.011 10 0 AEAERN CC[C@@](C)(O)c1ccc(OC)cc1F 233965759 571936931 /nfs/dbraw/zinc/93/69/31/571936931.db2.gz PHYSPKGUCMWRKS-LLVKDONJSA-N 0 0 198.237 2.452 10 0 AEAERN CC1(C)[C@H]2CC(=O)C3(CC3)[C@@H]1C2 39651783 571940078 /nfs/dbraw/zinc/94/00/78/571940078.db2.gz DWGXQWXPVHNLHF-HTQZYQBOSA-N 0 0 164.248 2.402 10 0 AEAERN FC(F)c1ccco1 39647126 571937057 /nfs/dbraw/zinc/93/70/57/571937057.db2.gz ZGDAEJZKIJMRJK-UHFFFAOYSA-N 0 0 118.082 2.217 10 0 AEAERN O=C(C1C=CC=CC=C1)C1CC1 39644699 571937060 /nfs/dbraw/zinc/93/70/60/571937060.db2.gz BIUDIAHSHUCTSM-UHFFFAOYSA-N 0 0 160.216 2.264 10 0 AEAERN C[C@@H]1CC(=O)[C@H](C)C1(C)C 39641580 571937151 /nfs/dbraw/zinc/93/71/51/571937151.db2.gz WFQIZSACCHAGQV-RQJHMYQMSA-N 0 0 140.226 2.258 10 0 AEAERN Cc1cc(O)c2c(c1)O[C@@H](C)C2 75546094 571937223 /nfs/dbraw/zinc/93/72/23/571937223.db2.gz JXWNKMODOYOWKA-ZETCQYMHSA-N 0 0 164.204 2.024 10 0 AEAERN C[C@@H]1Cc2cccc(N)c2S1 39645764 571937226 /nfs/dbraw/zinc/93/72/26/571937226.db2.gz OYJSYUMGPXRKRC-ZCFIWIBFSA-N 0 0 165.261 2.306 10 0 AEAERN Cc1cc(C2CCCCC2)n[nH]c1=O 39627707 571937233 /nfs/dbraw/zinc/93/72/33/571937233.db2.gz BBVXPJDXIWNCJV-UHFFFAOYSA-N 0 0 192.262 2.126 10 0 AEAERN CC[C@@](C)(O)[C@H](O)c1ccccc1C 233964942 571937237 /nfs/dbraw/zinc/93/72/37/571937237.db2.gz MTHJWENCVUVDTR-VXGBXAGGSA-N 0 0 194.274 2.189 10 0 AEAERN Cc1ncc([C@@]2(O)CCC2(C)C)s1 687899638 571937542 /nfs/dbraw/zinc/93/75/42/571937542.db2.gz BMYSJZBLHYWGBP-JTQLQIEISA-N 0 0 197.303 2.459 10 0 AEAERN C[C@@H](C1CC1)[C@H](CC(C)(C)C)NN 713143020 571937660 /nfs/dbraw/zinc/93/76/60/571937660.db2.gz KVTVUAANHJHDAC-WPRPVWTQSA-N 0 0 184.327 2.301 10 0 AEAERN CCC(CC)CO[C@@H]1CCC[C@H]1O 300801347 571937752 /nfs/dbraw/zinc/93/77/52/571937752.db2.gz DZAOBOYTNWKOSH-GHMZBOCLSA-N 0 0 186.295 2.353 10 0 AEAERN CC[C@@](C)(O)[C@H](O)c1cccc(C)c1 233964798 571937799 /nfs/dbraw/zinc/93/77/99/571937799.db2.gz HGKXYKBZZOUTQH-VXGBXAGGSA-N 0 0 194.274 2.189 10 0 AEAERN COC(=O)/C(C)=C\CSC(C)C 214616489 571937858 /nfs/dbraw/zinc/93/78/58/571937858.db2.gz MBDLGELGXGGHBR-YVMONPNESA-N 0 0 188.292 2.247 10 0 AEAERN CCC(CC)CO[C@H]1CCC[C@H]1O 300801350 571937866 /nfs/dbraw/zinc/93/78/66/571937866.db2.gz DZAOBOYTNWKOSH-MNOVXSKESA-N 0 0 186.295 2.353 10 0 AEAERN CC[C@@H]1OCC[C@H]1[C@@H](O)c1ccoc1 233966753 571937959 /nfs/dbraw/zinc/93/79/59/571937959.db2.gz RRDXRTKSMFRWQG-VWYCJHECSA-N 0 0 196.246 2.128 10 0 AEAERN COC[C@H](C)[C@](C)(O)c1ccccc1 69903221 571938115 /nfs/dbraw/zinc/93/81/15/571938115.db2.gz XBYSLZCTBQVAND-JQWIXIFHSA-N 0 0 194.274 2.177 10 0 AEAERN CCc1occc1[C@H](NN)C1CCC1 234291840 571938190 /nfs/dbraw/zinc/93/81/90/571938190.db2.gz DTOFKCACCLKWOK-LLVKDONJSA-N 0 0 194.278 2.147 10 0 AEAERN Cc1ncc([C@]2(O)CC[C@@H](C)C2)s1 687900379 571938334 /nfs/dbraw/zinc/93/83/34/571938334.db2.gz FYKNISXMUJGYNR-XCBNKYQSSA-N 0 0 197.303 2.459 10 0 AEAERN CCCNC(=O)N/C=C(\C)C(C)C 218869585 571938360 /nfs/dbraw/zinc/93/83/60/571938360.db2.gz MCGIPOOWSLBHIV-VQHVLOKHSA-N 0 0 184.283 2.255 10 0 AEAERN CCc1occc1[C@H](O)C1CC1 234293676 571938383 /nfs/dbraw/zinc/93/83/83/571938383.db2.gz PIRYSLWOFXOJJA-SNVBAGLBSA-N 0 0 166.220 2.285 10 0 AEAERN CCOC(=O)/C=C/[C@@H]1CC=CCC1 34622124 571938446 /nfs/dbraw/zinc/93/84/46/571938446.db2.gz LWSAIPNOVZOFMP-AAXQSMANSA-N 0 0 180.247 2.462 10 0 AEAERN CC[C@H](CCCO)CC(F)F 687900669 571938510 /nfs/dbraw/zinc/93/85/10/571938510.db2.gz LTZYENLOYSOZDM-SSDOTTSWSA-N 0 0 166.211 2.440 10 0 AEAERN Cc1cc2ncccc2c(N)c1C 75562832 571938531 /nfs/dbraw/zinc/93/85/31/571938531.db2.gz FIXXDTUVJKKUNE-UHFFFAOYSA-N 0 0 172.231 2.434 10 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PIYOECINSAPLKY-JTQLQIEISA-N 0 0 170.252 2.171 10 0 AEAERN CCCO[C@]1(C(C)=O)CC[C@H]2C[C@H]21 687690356 571963664 /nfs/dbraw/zinc/96/36/64/571963664.db2.gz FUQWRQAJTVWRPY-AXFHLTTASA-N 0 0 182.263 2.171 10 0 AEAERN CCC(CC)Nc1ccncn1 40862887 571963690 /nfs/dbraw/zinc/96/36/90/571963690.db2.gz QLPJYKPJILNGCP-UHFFFAOYSA-N 0 0 165.240 2.077 10 0 AEAERN CO[C@](C)(C(C)=O)C1CCCC1 687690627 571963746 /nfs/dbraw/zinc/96/37/46/571963746.db2.gz PIYOECINSAPLKY-SNVBAGLBSA-N 0 0 170.252 2.171 10 0 AEAERN CCO[C@H](C)c1cccc(N)c1 40908317 571963762 /nfs/dbraw/zinc/96/37/62/571963762.db2.gz MVVCXMOZCZDDKO-MRVPVSSYSA-N 0 0 165.236 2.366 10 0 AEAERN COC[C@@](O)(C1=CCCCC1)C1CC1 234797688 571963770 /nfs/dbraw/zinc/96/37/70/571963770.db2.gz VQZUWBSDLSCAMZ-GFCCVEGCSA-N 0 0 196.290 2.274 10 0 AEAERN CS(C)=Nc1ccc(Cl)cn1 12371976 571963818 /nfs/dbraw/zinc/96/38/18/571963818.db2.gz XWTHBPQLUOPCMU-UHFFFAOYSA-N 0 0 188.683 2.428 10 0 AEAERN CC[C@@H](C)[C@@]1(C(=O)OC)CCC=CO1 317319334 571963856 /nfs/dbraw/zinc/96/38/56/571963856.db2.gz CCYZVQRYTDOMMO-MWLCHTKSSA-N 0 0 198.262 2.268 10 0 AEAERN CO[C@]1(C(C)=O)CCCC1(C)C 687690417 571963860 /nfs/dbraw/zinc/96/38/60/571963860.db2.gz HBNQGZYSPKUJNG-JTQLQIEISA-N 0 0 170.252 2.171 10 0 AEAERN CCO[C@]1(C(C)=O)C[C@H](C)[C@@H]1C 687690539 571963863 /nfs/dbraw/zinc/96/38/63/571963863.db2.gz LHXAECLKONMTAT-OYNCUSHFSA-N 0 0 170.252 2.027 10 0 AEAERN CCC(CC)n1cccn1 40931878 571963954 /nfs/dbraw/zinc/96/39/54/571963954.db2.gz KCZANJXDZAFROI-UHFFFAOYSA-N 0 0 138.214 2.244 10 0 AEAERN CCC(=O)[C@@H](OC)[C@@H](C)C(C)C 687691343 571965062 /nfs/dbraw/zinc/96/50/62/571965062.db2.gz PNLBTUSJXZJRAH-WPRPVWTQSA-N 0 0 172.268 2.273 10 0 AEAERN C/C=C\C(=O)N1CCC2(CCCC2)C1 308521169 571963983 /nfs/dbraw/zinc/96/39/83/571963983.db2.gz HRNDRVSNWIOZSS-DJWKRKHSSA-N 0 0 193.290 2.355 10 0 AEAERN O=C(CC1CCCC1)c1c[nH]cn1 32135336 571964132 /nfs/dbraw/zinc/96/41/32/571964132.db2.gz ANGNJTMSOJOKGL-UHFFFAOYSA-N 0 0 178.235 2.173 10 0 AEAERN CO[C@@]1(C(C)=O)CC(C)(C)C[C@@H]1C 687690481 571964158 /nfs/dbraw/zinc/96/41/58/571964158.db2.gz HZXAVKHRWDUJCQ-KWQFWETISA-N 0 0 184.279 2.417 10 0 AEAERN CCO[C@]1(C(C)=O)C[C@@H](C)[C@@H]1C 687690537 571964239 /nfs/dbraw/zinc/96/42/39/571964239.db2.gz LHXAECLKONMTAT-KHQFGBGNSA-N 0 0 170.252 2.027 10 0 AEAERN CCc1[nH]c(C)cc1C 32134637 571964306 /nfs/dbraw/zinc/96/43/06/571964306.db2.gz RXOIPCVFTATXDV-UHFFFAOYSA-N 0 0 123.199 2.194 10 0 AEAERN CCO[C@]1(C(C)=O)C[C@H](C)[C@H]1C 687690540 571964368 /nfs/dbraw/zinc/96/43/68/571964368.db2.gz LHXAECLKONMTAT-QXFUBDJGSA-N 0 0 170.252 2.027 10 0 AEAERN C[C@H]1C=C[C@H]2C(=O)CC[C@@H]2C1 32132735 571964477 /nfs/dbraw/zinc/96/44/77/571964477.db2.gz FFZNHTTZIWXYJX-DJLDLDEBSA-N 0 0 150.221 2.178 10 0 AEAERN CCCC(=O)[C@]1(OC)C[C@@H](C)[C@@H]1C 687690293 571964479 /nfs/dbraw/zinc/96/44/79/571964479.db2.gz CPPZRSJDRVDESF-YWVKMMECSA-N 0 0 184.279 2.417 10 0 AEAERN CC1(C)CC[C@@H](C(=O)c2ncc[nH]2)C1 32134464 571964481 /nfs/dbraw/zinc/96/44/81/571964481.db2.gz KAEHOWVSCLEUEO-MRVPVSSYSA-N 0 0 192.262 2.419 10 0 AEAERN CC(C)=C1CCC(O)CC1 32133537 571964416 /nfs/dbraw/zinc/96/44/16/571964416.db2.gz BHGNYQMQMOKBDW-UHFFFAOYSA-N 0 0 140.226 2.258 10 0 AEAERN CCO[C@]1(C(C)=O)C[C@@H](C)[C@H]1C 687690538 571964520 /nfs/dbraw/zinc/96/45/20/571964520.db2.gz LHXAECLKONMTAT-NQMVMOMDSA-N 0 0 170.252 2.027 10 0 AEAERN CC=C=CC(C)(C)[C@H](C)O 32135724 571964531 /nfs/dbraw/zinc/96/45/31/571964531.db2.gz IDXXZPATUABJSR-XDKWHASVSA-N 0 0 140.226 2.125 10 0 AEAERN Cc1ccc2[nH]c(C(C)(C)[NH3+])nc2c1 40911238 571964550 /nfs/dbraw/zinc/96/45/50/571964550.db2.gz YBJICCFRPPFWJM-UHFFFAOYSA-N 0 0 189.262 2.065 10 0 AEAERN CCCC(=O)[C@]1(OC)C[C@@H](C)[C@H]1C 687690290 571964558 /nfs/dbraw/zinc/96/45/58/571964558.db2.gz CPPZRSJDRVDESF-KKZNHRDASA-N 0 0 184.279 2.417 10 0 AEAERN CCN(C)c1ccc(CO)c(Cl)c1 233980843 571964581 /nfs/dbraw/zinc/96/45/81/571964581.db2.gz QDOZAGLXUSUGOY-UHFFFAOYSA-N 0 0 199.681 2.288 10 0 AEAERN Cc1nn([C@H](C)C2CC2)c(C)c1C=O 40931908 571964644 /nfs/dbraw/zinc/96/46/44/571964644.db2.gz OAFSVOKASORXKJ-MRVPVSSYSA-N 0 0 192.262 2.283 10 0 AEAERN Cc1ccc(C(=O)[C@H]2CCOC2)cc1 40941738 571964769 /nfs/dbraw/zinc/96/47/69/571964769.db2.gz PIOSQPYTSOUDBN-NSHDSACASA-N 0 0 190.242 2.214 10 0 AEAERN c1ccc2c(c1)CC(c1ncc[nH]1)C2 40846218 571964782 /nfs/dbraw/zinc/96/47/82/571964782.db2.gz KMKRWMBSKDDVCW-UHFFFAOYSA-N 0 0 184.242 2.292 10 0 AEAERN C[C@@H]1C=C[C@H]2C(=O)CC[C@@H]2C1 32132737 571964821 /nfs/dbraw/zinc/96/48/21/571964821.db2.gz FFZNHTTZIWXYJX-IWSPIJDZSA-N 0 0 150.221 2.178 10 0 AEAERN CCO[C@@H](C)c1cccc(N)c1 40908316 571964824 /nfs/dbraw/zinc/96/48/24/571964824.db2.gz MVVCXMOZCZDDKO-QMMMGPOBSA-N 0 0 165.236 2.366 10 0 AEAERN CC(C)CCCNc1ccncn1 40863318 571964840 /nfs/dbraw/zinc/96/48/40/571964840.db2.gz PSHWARAXAHCKMR-UHFFFAOYSA-N 0 0 179.267 2.325 10 0 AEAERN CC(C)[C@H]1C=C[C@@H](C)CC1=O 32135313 571964935 /nfs/dbraw/zinc/96/49/35/571964935.db2.gz GPUOMCZFJZZLJT-RKDXNWHRSA-N 0 0 152.237 2.424 10 0 AEAERN C/C=C(\C)CCCCO 59687385 571965047 /nfs/dbraw/zinc/96/50/47/571965047.db2.gz RZLDFOKIYOYQOM-FPYGCLRLSA-N 0 0 128.215 2.115 10 0 AEAERN CCCC(=O)[C@@H](OC)C1CCC1 687690935 571965234 /nfs/dbraw/zinc/96/52/34/571965234.db2.gz WSYNRQIJGHAXSQ-JTQLQIEISA-N 0 0 170.252 2.171 10 0 AEAERN COC(C(C)=O)(C(C)C)C(C)C 687691512 571965261 /nfs/dbraw/zinc/96/52/61/571965261.db2.gz YEBCWOAEKUKNQB-UHFFFAOYSA-N 0 0 172.268 2.273 10 0 AEAERN CCC(=O)[C@H](OC)[C@H](C)C(C)C 687691340 571965281 /nfs/dbraw/zinc/96/52/81/571965281.db2.gz PNLBTUSJXZJRAH-PSASIEDQSA-N 0 0 172.268 2.273 10 0 AEAERN CCC(=O)[C@@]1(OC)CCC1(C)C 687691027 571965349 /nfs/dbraw/zinc/96/53/49/571965349.db2.gz RNSQSTRZGKTSKR-JTQLQIEISA-N 0 0 170.252 2.171 10 0 AEAERN CCCCC[C@H](CC)NC=O 113462160 571965435 /nfs/dbraw/zinc/96/54/35/571965435.db2.gz GZVWEBVHHFOOGE-VIFPVBQESA-N 0 0 157.257 2.091 10 0 AEAERN CC=C=CC(C)(C)[C@@H](C)O 32135723 571965442 /nfs/dbraw/zinc/96/54/42/571965442.db2.gz IDXXZPATUABJSR-QFSRMBNQSA-N 0 0 140.226 2.125 10 0 AEAERN CCC(=O)[C@H](OC)[C@@H](C)C(C)C 687691342 571965457 /nfs/dbraw/zinc/96/54/57/571965457.db2.gz PNLBTUSJXZJRAH-WCBMZHEXSA-N 0 0 172.268 2.273 10 0 AEAERN CO[C@H](C(C)=O)[C@H](C)C(C)(C)C 687691333 571965489 /nfs/dbraw/zinc/96/54/89/571965489.db2.gz PCKGYSJZSDFWTE-CBAPKCEASA-N 0 0 172.268 2.273 10 0 AEAERN CC(C)=Cc1cc(C)cc(N)n1 40917904 571965516 /nfs/dbraw/zinc/96/55/16/571965516.db2.gz BHPPONCQQUIFAK-UHFFFAOYSA-N 0 0 162.236 2.395 10 0 in-vivo AEAERN CCO[C@@H](C)c1ccc(N)cc1 40908982 571965526 /nfs/dbraw/zinc/96/55/26/571965526.db2.gz XJRAWPJGBAMWRM-QMMMGPOBSA-N 0 0 165.236 2.366 10 0 AEAERN CO[C@@H](C(C)=O)[C@H](C)C(C)(C)C 687691334 571965584 /nfs/dbraw/zinc/96/55/84/571965584.db2.gz PCKGYSJZSDFWTE-IONNQARKSA-N 0 0 172.268 2.273 10 0 AEAERN CC1(C)CC[C@H](C(=O)c2ncc[nH]2)C1 32134465 571965778 /nfs/dbraw/zinc/96/57/78/571965778.db2.gz KAEHOWVSCLEUEO-QMMMGPOBSA-N 0 0 192.262 2.419 10 0 AEAERN COC1(C(C)=O)CC(C(C)C)C1 687690955 571965777 /nfs/dbraw/zinc/96/57/77/571965777.db2.gz XBAYIACVBWWLEO-UHFFFAOYSA-N 0 0 170.252 2.027 10 0 AEAERN C[C@@H](CCO)C1SCCCS1 32302382 571975862 /nfs/dbraw/zinc/97/58/62/571975862.db2.gz ZLFMJMFSWUHCLE-ZETCQYMHSA-N 0 0 192.349 2.201 10 0 AEAERN Cc1noc(C)c1C[C@@H]1CCCC1=O 32135252 571965810 /nfs/dbraw/zinc/96/58/10/571965810.db2.gz BJPMECVZYIVUBJ-VIFPVBQESA-N 0 0 193.246 2.203 10 0 AEAERN c1cc(NCCC2CCCC2)ncn1 40863201 571965876 /nfs/dbraw/zinc/96/58/76/571965876.db2.gz UEFRMPSMZORLOG-UHFFFAOYSA-N 0 0 191.278 2.469 10 0 AEAERN CCOc1ccc2c(c1)N[C@@H](C)C2 59692372 571965926 /nfs/dbraw/zinc/96/59/26/571965926.db2.gz UQFIUQGCXBWHNI-QMMMGPOBSA-N 0 0 177.247 2.442 10 0 AEAERN CCO[C@@H]([C@@H](O)C(F)F)C(C)(C)C 687690858 571965962 /nfs/dbraw/zinc/96/59/62/571965962.db2.gz YAHLWNPTSMMAMY-RQJHMYQMSA-N 0 0 196.237 2.064 10 0 AEAERN CCCCC[C@@H](CC)NC=O 113462158 571966048 /nfs/dbraw/zinc/96/60/48/571966048.db2.gz GZVWEBVHHFOOGE-SECBINFHSA-N 0 0 157.257 2.091 10 0 AEAERN CCn1nc(CC(C)(C)C)cc1N 41043651 571966842 /nfs/dbraw/zinc/96/68/42/571966842.db2.gz GGGFDTYZAMFHBG-UHFFFAOYSA-N 0 0 181.283 2.074 10 0 AEAERN Cc1ccc(-c2ccc(N)cc2N)o1 41048882 571966212 /nfs/dbraw/zinc/96/62/12/571966212.db2.gz LMAVQPGZIYXQTM-UHFFFAOYSA-N 0 0 188.230 2.419 10 0 AEAERN O=C1CS[C@@H](c2ccccc2)CO1 32146547 571966216 /nfs/dbraw/zinc/96/62/16/571966216.db2.gz WUHIDFYVWSXODK-SECBINFHSA-N 0 0 194.255 2.018 10 0 AEAERN CCO[C@@H]([C@H](O)C(F)F)C(C)(C)C 687690852 571966226 /nfs/dbraw/zinc/96/62/26/571966226.db2.gz YAHLWNPTSMMAMY-BQBZGAKWSA-N 0 0 196.237 2.064 10 0 AEAERN CCCc1nc[nH]c1Br 219302953 571966235 /nfs/dbraw/zinc/96/62/35/571966235.db2.gz KXMOGRLVVDDIJP-UHFFFAOYSA-N 0 0 189.056 2.125 10 0 AEAERN CCO[C@H]([C@@H](O)C(F)F)C(C)(C)C 687690856 571966262 /nfs/dbraw/zinc/96/62/62/571966262.db2.gz YAHLWNPTSMMAMY-RNFRBKRXSA-N 0 0 196.237 2.064 10 0 AEAERN CCCC(=O)[C@H](OC)C1CCC1 687690937 571966278 /nfs/dbraw/zinc/96/62/78/571966278.db2.gz WSYNRQIJGHAXSQ-SNVBAGLBSA-N 0 0 170.252 2.171 10 0 AEAERN CCC(=O)[C@](CC)(OC)C1CC1 687690942 571966341 /nfs/dbraw/zinc/96/63/41/571966341.db2.gz PRFOXHPNVXGPOZ-SNVBAGLBSA-N 0 0 170.252 2.171 10 0 AEAERN CCC(=O)[C@@](CC)(OC)C1CC1 687690940 571966343 /nfs/dbraw/zinc/96/63/43/571966343.db2.gz PRFOXHPNVXGPOZ-JTQLQIEISA-N 0 0 170.252 2.171 10 0 AEAERN O=C(OC1CCC1)c1cccs1 32135913 571966367 /nfs/dbraw/zinc/96/63/67/571966367.db2.gz DHUOKTLFCCANGE-UHFFFAOYSA-N 0 0 182.244 2.457 10 0 AEAERN CCCCON1[C@@H](C)C1(C)C 39089377 571966406 /nfs/dbraw/zinc/96/64/06/571966406.db2.gz ZAMYVEZNMBVHQL-PEHGTWAWSA-N 0 0 157.257 2.201 10 0 AEAERN CC(C)CON1[C@H](C)C1(C)C 39089378 571966417 /nfs/dbraw/zinc/96/64/17/571966417.db2.gz VLDVIGWSFJMQPP-HNHGDDPOSA-N 0 0 157.257 2.057 10 0 AEAERN CCC(=O)[C@@H](OC)[C@H](C)C(C)C 687691341 571966444 /nfs/dbraw/zinc/96/64/44/571966444.db2.gz PNLBTUSJXZJRAH-SCZZXKLOSA-N 0 0 172.268 2.273 10 0 AEAERN CC=C=CC(C)(C)C(C)=O 32147628 571966525 /nfs/dbraw/zinc/96/65/25/571966525.db2.gz ZKKRTHZHOGVBSI-UHFFFAOYSA-N 0 0 138.210 2.333 10 0 AEAERN C[C@H]1CC(=O)[C@H](C)C[C@@H]1C 32153822 571966547 /nfs/dbraw/zinc/96/65/47/571966547.db2.gz YGFCMJOPWRPFJQ-BIIVOSGPSA-N 0 0 140.226 2.258 10 0 AEAERN C/C=C(/CO)CCCC 80876390 571966585 /nfs/dbraw/zinc/96/65/85/571966585.db2.gz AITTZSSABXLAKU-XBXARRHUSA-N 0 0 128.215 2.115 10 0 AEAERN O=C1CCC(C2=CCCO2)CC1 687691428 571966592 /nfs/dbraw/zinc/96/65/92/571966592.db2.gz ZVRRYYPSUPLELP-UHFFFAOYSA-N 0 0 166.220 2.050 10 0 AEAERN CC[C@H](O)C(C)(C)CC 32150707 571966609 /nfs/dbraw/zinc/96/66/09/571966609.db2.gz BARKHVPKOOSMNW-ZETCQYMHSA-N 0 0 130.231 2.194 10 0 AEAERN CC(C)[C@@H](CO)Nc1cccc(F)c1 41049659 571966619 /nfs/dbraw/zinc/96/66/19/571966619.db2.gz AIYFLXYRHSLJQC-LLVKDONJSA-N 0 0 197.253 2.255 10 0 AEAERN CCO[C@H]([C@H](O)C(F)F)C(C)(C)C 687690854 571966725 /nfs/dbraw/zinc/96/67/25/571966725.db2.gz YAHLWNPTSMMAMY-NKWVEPMBSA-N 0 0 196.237 2.064 10 0 AEAERN CCO[C@H](C)[C@@H](O)CC1CCCC1 80742697 571966803 /nfs/dbraw/zinc/96/68/03/571966803.db2.gz DEKMDFYICANSSM-KOLCDFICSA-N 0 0 186.295 2.353 10 0 AEAERN CCO[C@@H](C)C(=O)CC(C)C 80742410 571966834 /nfs/dbraw/zinc/96/68/34/571966834.db2.gz RTMFOSPFULTRSP-QMMMGPOBSA-N 0 0 158.241 2.027 10 0 AEAERN C[C@H](O)CCC(C)(C)C 32152405 571966818 /nfs/dbraw/zinc/96/68/18/571966818.db2.gz NMSUCVXVCHZTEH-ZETCQYMHSA-N 0 0 130.231 2.194 10 0 AEAERN C[C@]1(c2ccc3[nH]cnc3c2)CCO1 219295497 571966886 /nfs/dbraw/zinc/96/68/86/571966886.db2.gz SSLWFBSMWXRUKJ-LLVKDONJSA-N 0 0 188.230 2.198 10 0 AEAERN CCC[C@@H](CC(=O)[O-])[NH+]1CCCCC1 80684279 571967003 /nfs/dbraw/zinc/96/70/03/571967003.db2.gz GSQGFGUOGSQTIA-JTQLQIEISA-N 0 0 199.294 2.116 10 0 AEAERN Cc1ncc([C@@H](C)C[C@@H](C)O)s1 687927433 571967162 /nfs/dbraw/zinc/96/71/62/571967162.db2.gz ZPFYZEAQRQGNSE-NKWVEPMBSA-N 0 0 185.292 2.326 10 0 AEAERN CC(C)[C@H](CO)Nc1ccccc1 41049626 571967165 /nfs/dbraw/zinc/96/71/65/571967165.db2.gz MDSRSOGYAJCABH-NSHDSACASA-N 0 0 179.263 2.115 10 0 AEAERN O=C1CS[C@H](c2ccccc2)CO1 32146552 571967177 /nfs/dbraw/zinc/96/71/77/571967177.db2.gz 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2.396 10 0 AEAERN CC[C@@H](C)[C@@H](O)c1ccnc(C)c1 233989288 571977521 /nfs/dbraw/zinc/97/75/21/571977521.db2.gz CYMYOFYSLJIJKM-LDYMZIIASA-N 0 0 179.263 2.470 10 0 AEAERN COc1ccc([Si](C)(C)C)c(F)c1 196429641 571977522 /nfs/dbraw/zinc/97/75/22/571977522.db2.gz KSOIWGWZYSRFGZ-UHFFFAOYSA-N 0 0 198.313 2.380 10 0 AEAERN O[C@H]1CSc2c(Cl)cccc21 196426968 571977572 /nfs/dbraw/zinc/97/75/72/571977572.db2.gz SKPKXJLISPWXHT-ZETCQYMHSA-N 0 0 186.663 2.479 10 0 AEAERN CC[C@@H]1Cn2c(nc3ccccc32)O1 13209125 571977577 /nfs/dbraw/zinc/97/75/77/571977577.db2.gz TUUXUMGGHRZSML-MRVPVSSYSA-N 0 0 188.230 2.207 10 0 AEAERN CC(=O)Nc1cc(C)cc(C)c1C=O 214637255 571977614 /nfs/dbraw/zinc/97/76/14/571977614.db2.gz PKXNRBYIOSEVLH-UHFFFAOYSA-N 0 0 191.230 2.074 10 0 AEAERN COc1cccc(O)c1SC 32303172 571977617 /nfs/dbraw/zinc/97/76/17/571977617.db2.gz ORZZILBKVJNLBC-UHFFFAOYSA-N 0 0 170.233 2.123 10 0 AEAERN CC1(C)CC=C[C@H](CCO)C1 196426924 571977632 /nfs/dbraw/zinc/97/76/32/571977632.db2.gz JWGVNYKCXJQRDU-SECBINFHSA-N 0 0 154.253 2.361 10 0 AEAERN CC(C)(C)c1cc2cc(N)ncc2[nH]1 139868052 571977640 /nfs/dbraw/zinc/97/76/40/571977640.db2.gz SRMHJURJTULIRE-UHFFFAOYSA-N 0 0 189.262 2.443 10 0 AEAERN Cc1ccc(-c2cccnc2)[nH]1 41167441 571977688 /nfs/dbraw/zinc/97/76/88/571977688.db2.gz CVYXUQMKBROYRL-UHFFFAOYSA-N 0 0 158.204 2.385 10 0 AEAERN Cc1ccc(-c2nccn2C)cc1 41168539 571977877 /nfs/dbraw/zinc/97/78/77/571977877.db2.gz XSPIVFCOTYAUEP-UHFFFAOYSA-N 0 0 172.231 2.396 10 0 AEAERN CC(C)C[C@H](C)CC(=O)[C@H](O)C1CC1 300835636 571977924 /nfs/dbraw/zinc/97/79/24/571977924.db2.gz COXKGWQWZVCHBW-JOYOIKCWSA-N 0 0 198.306 2.399 10 0 AEAERN CCOc1ccc2cccnc2n1 13228379 571977909 /nfs/dbraw/zinc/97/79/09/571977909.db2.gz VTDUCLVAOANJJJ-UHFFFAOYSA-N 0 0 174.203 2.029 10 0 AEAERN CC(=O)Nc1ccc(Cl)c(C=O)c1 139856971 571977922 /nfs/dbraw/zinc/97/79/22/571977922.db2.gz JSDYPRCAEGGTFA-UHFFFAOYSA-N 0 0 197.621 2.111 10 0 AEAERN Cc1ccc(C)c([C@@H](C)CO)c1 41167860 571978250 /nfs/dbraw/zinc/97/82/50/571978250.db2.gz LZTYUZRJLSXFDK-JTQLQIEISA-N 0 0 164.248 2.399 10 0 AEAERN CC(C)C[C@@H](C)CC(=O)[C@H](O)C1CC1 300835632 571978266 /nfs/dbraw/zinc/97/82/66/571978266.db2.gz COXKGWQWZVCHBW-BXKDBHETSA-N 0 0 198.306 2.399 10 0 AEAERN Cc1cc([C@H](C)CO)ccc1F 41168176 571978452 /nfs/dbraw/zinc/97/84/52/571978452.db2.gz LWPHJSMBQYBSOH-MRVPVSSYSA-N 0 0 168.211 2.230 10 0 AEAERN CC(C)c1ccc(N(C)N)cc1 41167876 571978476 /nfs/dbraw/zinc/97/84/76/571978476.db2.gz VDXMQQRDGBCKCL-UHFFFAOYSA-N 0 0 164.252 2.120 10 0 AEAERN CC[C@H](C)[C@@H](O)c1cccc(N)c1 233995099 571978554 /nfs/dbraw/zinc/97/85/54/571978554.db2.gz JJVSBRDHWPVQEU-GZMMTYOYSA-N 0 0 179.263 2.348 10 0 AEAERN CC(C)C[C@@H](C)Cn1cc(CO)cn1 300838529 571978590 /nfs/dbraw/zinc/97/85/90/571978590.db2.gz CVSCYMPVQSFYFN-SNVBAGLBSA-N 0 0 196.294 2.058 10 0 AEAERN CC(C)C[C@@H](C)CC(=O)[C@@H](O)C1CC1 300835638 571978681 /nfs/dbraw/zinc/97/86/81/571978681.db2.gz COXKGWQWZVCHBW-SKDRFNHKSA-N 0 0 198.306 2.399 10 0 AEAERN CCO[C@@H]1C[C@H]1[C@@H](O)CC(C)(C)C 713168794 571978682 /nfs/dbraw/zinc/97/86/82/571978682.db2.gz BBOVEZKBCBGTCA-LPEHRKFASA-N 0 0 186.295 2.209 10 0 AEAERN CC(C)C[C@@H](C)c1cc(CCO)on1 300835617 571978697 /nfs/dbraw/zinc/97/86/97/571978697.db2.gz COPTZZJCMFKNFP-SECBINFHSA-N 0 0 197.278 2.359 10 0 AEAERN CCO[C@@H]1C[C@H]1[C@H](O)CC(C)(C)C 713168791 571978993 /nfs/dbraw/zinc/97/89/93/571978993.db2.gz BBOVEZKBCBGTCA-IVZWLZJFSA-N 0 0 186.295 2.209 10 0 AEAERN Cc1cc([C@@H](C)CO)ccc1F 41168175 571978758 /nfs/dbraw/zinc/97/87/58/571978758.db2.gz LWPHJSMBQYBSOH-QMMMGPOBSA-N 0 0 168.211 2.230 10 0 AEAERN COC[C@H](C)[C@H](O)c1ccccc1 39476331 571978804 /nfs/dbraw/zinc/97/88/04/571978804.db2.gz VTBVRCTZGIEDOK-ONGXEEELSA-N 0 0 180.247 2.003 10 0 AEAERN COc1ccc(C[C@@H](C)CO)c(F)c1 234865219 571978856 /nfs/dbraw/zinc/97/88/56/571978856.db2.gz GOJXAIROTDRILH-MRVPVSSYSA-N 0 0 198.237 2.005 10 0 AEAERN Cc1cccc([C@H](C)CCO)c1 41167868 571978873 /nfs/dbraw/zinc/97/88/73/571978873.db2.gz VDRJXKDXGJEFQE-SNVBAGLBSA-N 0 0 164.248 2.481 10 0 AEAERN CC1(C)CC=C[C@@H](CCO)C1 196426933 571978875 /nfs/dbraw/zinc/97/88/75/571978875.db2.gz JWGVNYKCXJQRDU-VIFPVBQESA-N 0 0 154.253 2.361 10 0 AEAERN CCO[C@@H]1C[C@@H]1[C@H](O)CC(C)(C)C 713168795 571978891 /nfs/dbraw/zinc/97/88/91/571978891.db2.gz BBOVEZKBCBGTCA-OPRDCNLKSA-N 0 0 186.295 2.209 10 0 AEAERN Cc1cccc([C@@H](C)CCO)c1 41167866 571978935 /nfs/dbraw/zinc/97/89/35/571978935.db2.gz VDRJXKDXGJEFQE-JTQLQIEISA-N 0 0 164.248 2.481 10 0 AEAERN CC(C)(C)CCC[C@@H]1CCNC1=O 300836515 571978951 /nfs/dbraw/zinc/97/89/51/571978951.db2.gz JDOZZUSMNVAFHQ-SECBINFHSA-N 0 0 183.295 2.339 10 0 AEAERN C[C@H](O)COCC1CCCCCC1 300833631 571978956 /nfs/dbraw/zinc/97/89/56/571978956.db2.gz CWIWIWRATYKMBK-JTQLQIEISA-N 0 0 186.295 2.354 10 0 AEAERN Cc1ccc(C)c([C@H](C)CO)c1 41167862 571979013 /nfs/dbraw/zinc/97/90/13/571979013.db2.gz LZTYUZRJLSXFDK-SNVBAGLBSA-N 0 0 164.248 2.399 10 0 AEAERN Cc1ccc([C@H](C)CO)cc1C 41167858 571979110 /nfs/dbraw/zinc/97/91/10/571979110.db2.gz SPEUXKMHBWIERU-SNVBAGLBSA-N 0 0 164.248 2.399 10 0 AEAERN CCC(CC)[C@@H](O)c1cc(C)n(C)n1 300838566 571979125 /nfs/dbraw/zinc/97/91/25/571979125.db2.gz GHFAMWPEGUYERQ-LLVKDONJSA-N 0 0 196.294 2.198 10 0 AEAERN CO[C@H]1CCC[C@](O)(CCC2CC2)C1 234865287 571979172 /nfs/dbraw/zinc/97/91/72/571979172.db2.gz QYHDSYDCZRCSKN-RYUDHWBXSA-N 0 0 198.306 2.497 10 0 AEAERN CCCOC[C@@H](O)[C@H](C)CC(C)C 300833872 571979259 /nfs/dbraw/zinc/97/92/59/571979259.db2.gz CJHOFNYHTNKQKB-GHMZBOCLSA-N 0 0 188.311 2.456 10 0 AEAERN CC(C)C[C@H](C)c1cc(CCO)on1 300835619 571979546 /nfs/dbraw/zinc/97/95/46/571979546.db2.gz COPTZZJCMFKNFP-VIFPVBQESA-N 0 0 197.278 2.359 10 0 AEAERN CCCOC[C@@H](O)[C@@H](C)CC(C)C 300833878 571979550 /nfs/dbraw/zinc/97/95/50/571979550.db2.gz CJHOFNYHTNKQKB-WDEREUQCSA-N 0 0 188.311 2.456 10 0 AEAERN COC[C@@H](C)[C@@H](O)c1ccccc1 39476336 571979619 /nfs/dbraw/zinc/97/96/19/571979619.db2.gz VTBVRCTZGIEDOK-MWLCHTKSSA-N 0 0 180.247 2.003 10 0 AEAERN CCCOC[C@H](O)[C@@H](C)CC(C)C 300833876 571979717 /nfs/dbraw/zinc/97/97/17/571979717.db2.gz CJHOFNYHTNKQKB-QWRGUYRKSA-N 0 0 188.311 2.456 10 0 AEAERN CC(C)C[C@H](C)CC(=O)[C@@H](O)C1CC1 300835634 571979737 /nfs/dbraw/zinc/97/97/37/571979737.db2.gz COXKGWQWZVCHBW-CABZTGNLSA-N 0 0 198.306 2.399 10 0 AEAERN C/C=C/COc1cc(N)ccc1OC 234859196 571979805 /nfs/dbraw/zinc/97/98/05/571979805.db2.gz OMBOOBGAWLGNQR-ONEGZZNKSA-N 0 0 193.246 2.232 10 0 AEAERN CC(C)(C)CCC[C@@]1(O)CCOC1 300831585 571979822 /nfs/dbraw/zinc/97/98/22/571979822.db2.gz IJHWANVPOZACEB-LLVKDONJSA-N 0 0 186.295 2.354 10 0 AEAERN C[C@H]1C[C@H](CC(N)=O)c2ccccc21 41204723 571980100 /nfs/dbraw/zinc/98/01/00/571980100.db2.gz WMHKMESDJIDYLM-DTWKUNHWSA-N 0 0 189.258 2.153 10 0 AEAERN CCc1ccc(N2CCCC2=O)cc1 41204698 571980125 /nfs/dbraw/zinc/98/01/25/571980125.db2.gz SAANJXKHPZBABZ-UHFFFAOYSA-N 0 0 189.258 2.376 10 0 AEAERN C[C@H](CO)c1ccc2c(c1)CCC2 41199582 571980145 /nfs/dbraw/zinc/98/01/45/571980145.db2.gz ZPCFABQDUUDDGO-SECBINFHSA-N 0 0 176.259 2.271 10 0 AEAERN CCOc1c(C)cccc1[C@@H](C)O 41201390 571980208 /nfs/dbraw/zinc/98/02/08/571980208.db2.gz ONBDWSOCEGDHFS-SECBINFHSA-N 0 0 180.247 2.447 10 0 AEAERN Cc1cc(Cc2ccc(F)cc2)n[nH]1 41204962 571980239 /nfs/dbraw/zinc/98/02/39/571980239.db2.gz ICIAWGZCKYGJQG-UHFFFAOYSA-N 0 0 190.221 2.448 10 0 AEAERN CC[C@H](C[C@H](O)C(C)C)C(C)=O 300855132 571990929 /nfs/dbraw/zinc/99/09/29/571990929.db2.gz HYLWFMJKKVBEFS-ZJUUUORDSA-N 0 0 172.268 2.009 10 0 AEAERN Cc1cccc(Cc2cc(N)on2)c1 41204132 571980288 /nfs/dbraw/zinc/98/02/88/571980288.db2.gz MMUMZPDOQAKWLS-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN Cc1cc(Cc2ccccc2F)n[nH]1 41204961 571980319 /nfs/dbraw/zinc/98/03/19/571980319.db2.gz QXBBQFGNDRASLN-UHFFFAOYSA-N 0 0 190.221 2.448 10 0 AEAERN CO[C@H]1CCCC[C@]1(O)CCC1CC1 234870457 571980326 /nfs/dbraw/zinc/98/03/26/571980326.db2.gz JCAPJHDGUXUDNU-RYUDHWBXSA-N 0 0 198.306 2.497 10 0 AEAERN Cc1ccc2c(c1)[C@@H](CCO)CC2 41199617 571980331 /nfs/dbraw/zinc/98/03/31/571980331.db2.gz AKJMJERMARGKLF-LLVKDONJSA-N 0 0 176.259 2.407 10 0 AEAERN COC1(C[C@H](O)CC2CCC2)CCC1 234864310 571980332 /nfs/dbraw/zinc/98/03/32/571980332.db2.gz IZJNMTMNIIXGIU-LLVKDONJSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@H]1C[C@@H](CC(N)=O)c2ccccc21 41204727 571980340 /nfs/dbraw/zinc/98/03/40/571980340.db2.gz WMHKMESDJIDYLM-IUCAKERBSA-N 0 0 189.258 2.153 10 0 AEAERN CC(C)C[C@@H](C)C[C@@H](O)C(C)(C)O 300839330 571980350 /nfs/dbraw/zinc/98/03/50/571980350.db2.gz CYFLXVKNRNWOOL-NXEZZACHSA-N 0 0 188.311 2.191 10 0 AEAERN Cc1ccc2c(c1)[C@H](CCO)CC2 41199614 571980678 /nfs/dbraw/zinc/98/06/78/571980678.db2.gz AKJMJERMARGKLF-NSHDSACASA-N 0 0 176.259 2.407 10 0 AEAERN CC(C)C[C@@H](C)[C@@H](O)c1ccn(C)n1 300837917 571980390 /nfs/dbraw/zinc/98/03/90/571980390.db2.gz CVNWBJVZPCAHRI-MWLCHTKSSA-N 0 0 196.294 2.136 10 0 AEAERN Cc1cccc2c1CC[C@@H]2CCO 41199620 571980395 /nfs/dbraw/zinc/98/03/95/571980395.db2.gz CSTILRIQGOJFHY-SNVBAGLBSA-N 0 0 176.259 2.407 10 0 AEAERN CC(C)C[C@H](C)[C@@H](O)c1ccn(C)n1 300837915 571980397 /nfs/dbraw/zinc/98/03/97/571980397.db2.gz CVNWBJVZPCAHRI-GXSJLCMTSA-N 0 0 196.294 2.136 10 0 AEAERN Cc1ccc([C@@H](CO)C2CC2)cc1 41199564 571980400 /nfs/dbraw/zinc/98/04/00/571980400.db2.gz OWOXYWVZCBVZLY-GFCCVEGCSA-N 0 0 176.259 2.481 10 0 AEAERN CC[C@H](C)[C@@H](C)Nc1nc(C)no1 233998397 571980516 /nfs/dbraw/zinc/98/05/16/571980516.db2.gz XCBQSNHWJRXFBI-NKWVEPMBSA-N 0 0 183.255 2.225 10 0 AEAERN CC(C)[C@H](O)CCC(=O)C(C)(C)C 300840661 571980525 /nfs/dbraw/zinc/98/05/25/571980525.db2.gz FEOAPPKDHZVYNC-SECBINFHSA-N 0 0 186.295 2.399 10 0 AEAERN CO[C@@H]1CCC[C@H]([C@H](O)[C@H]2C[C@@H]2C)C1 686332817 571980561 /nfs/dbraw/zinc/98/05/61/571980561.db2.gz SPVJVWJPFADBMV-SVNGYHJRSA-N 0 0 198.306 2.209 10 0 AEAERN CNC(=O)[C@@H]1[C@H](C)CC[C@@H]1C(C)C 206766568 571980574 /nfs/dbraw/zinc/98/05/74/571980574.db2.gz JIRUTCONTJOCMV-OPRDCNLKSA-N 0 0 183.295 2.051 10 0 AEAERN Cc1cccc(C)c1O[C@H](C)CO 41201364 571980606 /nfs/dbraw/zinc/98/06/06/571980606.db2.gz BLQRVFGSRGFRCD-SNVBAGLBSA-N 0 0 180.247 2.063 10 0 AEAERN CC(C)C[C@H](C)[C@@H]1OCC[C@@H]1CO 300839388 571980661 /nfs/dbraw/zinc/98/06/61/571980661.db2.gz DAONJDGPQQXXOM-AXFHLTTASA-N 0 0 186.295 2.066 10 0 AEAERN CC[C@H](C)[C@H](O)c1ccnc(C)c1 233995830 571980752 /nfs/dbraw/zinc/98/07/52/571980752.db2.gz CYMYOFYSLJIJKM-KWQFWETISA-N 0 0 179.263 2.470 10 0 AEAERN CCc1ccc(-c2cnc(N)o2)cc1 41204141 571980774 /nfs/dbraw/zinc/98/07/74/571980774.db2.gz ADXSOXQABHMWQW-UHFFFAOYSA-N 0 0 188.230 2.486 10 0 AEAERN CCC[C@@H](C)c1noc(C)c1CO 113482060 571980785 /nfs/dbraw/zinc/98/07/85/571980785.db2.gz MRWAOUXUGWRMTF-SSDOTTSWSA-N 0 0 183.251 2.379 10 0 AEAERN C(=C\c1ccccc1)\CCn1cncn1 220941812 571980788 /nfs/dbraw/zinc/98/07/88/571980788.db2.gz NTZLNCDOPJHFDQ-YWEYNIOJSA-N 0 0 199.257 2.382 10 0 AEAERN CO[C@@H]1CCC[C@H]([C@H](O)[C@@H]2C[C@@H]2C)C1 686332814 571980857 /nfs/dbraw/zinc/98/08/57/571980857.db2.gz SPVJVWJPFADBMV-HGCLJGPKSA-N 0 0 198.306 2.209 10 0 AEAERN OCC[C@@H]1CCc2c(F)cccc21 41201215 571980880 /nfs/dbraw/zinc/98/08/80/571980880.db2.gz HMHXSIJIGAOYRP-QMMMGPOBSA-N 0 0 180.222 2.238 10 0 AEAERN OC[C@H](c1ccc(F)cc1)C1CC1 41201200 571980960 /nfs/dbraw/zinc/98/09/60/571980960.db2.gz UFBYIHBZPJADFP-NSHDSACASA-N 0 0 180.222 2.312 10 0 AEAERN Cc1cccc2c1CC[C@H]2CCO 41199623 571980969 /nfs/dbraw/zinc/98/09/69/571980969.db2.gz CSTILRIQGOJFHY-JTQLQIEISA-N 0 0 176.259 2.407 10 0 AEAERN NC(=S)CCc1ccc(F)cc1 41202359 571980980 /nfs/dbraw/zinc/98/09/80/571980980.db2.gz RWYFDCUUWDOEPZ-UHFFFAOYSA-N 0 0 183.251 2.044 10 0 AEAERN Cc1ccc([C@@H]2CN(C)C(=O)O2)cc1 41205171 571982271 /nfs/dbraw/zinc/98/22/71/571982271.db2.gz HUVIMINMBKFICS-JTQLQIEISA-N 0 0 191.230 2.118 10 0 AEAERN Cc1cc(C)c(O[C@@H](C)CO)c(C)c1 41206815 571982533 /nfs/dbraw/zinc/98/25/33/571982533.db2.gz FNDFQGWYCQRVQI-NSHDSACASA-N 0 0 194.274 2.371 10 0 AEAERN Cc1cccc(C(C)C)c1N(C)N 41200627 571981577 /nfs/dbraw/zinc/98/15/77/571981577.db2.gz XIFUUDQDQRFRIG-UHFFFAOYSA-N 0 0 178.279 2.428 10 0 AEAERN Cc1ccc2c(c1)[C@H](O)[C@H](C)CC2=O 13460848 571981332 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/nfs/dbraw/zinc/01/14/92/572011492.db2.gz UUPBLFZMUAPTJW-VHSXEESVSA-N 0 0 196.338 2.445 10 0 AEAERN CCC(C)(C)C[C@H](NN)[C@@H]1CC12CC2 713190722 572010385 /nfs/dbraw/zinc/01/03/85/572010385.db2.gz UUPBLFZMUAPTJW-UWVGGRQHSA-N 0 0 196.338 2.445 10 0 AEAERN C/C=C(/C)CCC(C)=O 14591971 572010432 /nfs/dbraw/zinc/01/04/32/572010432.db2.gz UBAUYTYZPNZXIM-DAXSKMNVSA-N 0 0 126.199 2.322 10 0 endogenous,in-man AEAERN CCC[C@@H](C)[C@@H](O)C1CCOCC1 68956378 572010433 /nfs/dbraw/zinc/01/04/33/572010433.db2.gz XVNXIMXYCKDAJY-MWLCHTKSSA-N 0 0 186.295 2.210 10 0 AEAERN CC(=O)[C@H](C)OCc1ccccc1F 68954442 572010443 /nfs/dbraw/zinc/01/04/43/572010443.db2.gz ZOQNSPLTSDPDGI-VIFPVBQESA-N 0 0 196.221 2.320 10 0 AEAERN CCC(=O)COCc1ccccc1F 68954447 572010445 /nfs/dbraw/zinc/01/04/45/572010445.db2.gz UGGYQAOIHLDWMT-UHFFFAOYSA-N 0 0 196.221 2.321 10 0 AEAERN CC12[C@H]3CC(C[C@H]31)[C@@]2(C)CCO 14614797 572010457 /nfs/dbraw/zinc/01/04/57/572010457.db2.gz KIIXOVVGHFZKMM-BAUKGFNRSA-N 0 0 166.264 2.051 10 0 endogenous,in-man AEAERN C[C@H](O)CCOCc1ccccc1F 68954570 572010482 /nfs/dbraw/zinc/01/04/82/572010482.db2.gz YCKDEDWBBYFRKS-VIFPVBQESA-N 0 0 198.237 2.113 10 0 AEAERN CC(=O)[C@@H](C)OCc1ccccc1F 68954445 572010489 /nfs/dbraw/zinc/01/04/89/572010489.db2.gz ZOQNSPLTSDPDGI-SECBINFHSA-N 0 0 196.221 2.320 10 0 AEAERN CC1=C[C@@H](O)C(=C(C)C)CC1 14588446 572010532 /nfs/dbraw/zinc/01/05/32/572010532.db2.gz SOKGDOREHWFRJQ-SNVBAGLBSA-N 0 0 152.237 2.424 10 0 AEAERN CC(C)CCC(=O)C1CCOCC1 68956643 572010553 /nfs/dbraw/zinc/01/05/53/572010553.db2.gz BQPYXPQGOCCDCD-UHFFFAOYSA-N 0 0 184.279 2.418 10 0 AEAERN C=C/C=C/CCC[C@@H](C)O 14614337 572010591 /nfs/dbraw/zinc/01/05/91/572010591.db2.gz KOFXIBPKWDCMSE-XNPJLODASA-N 0 0 140.226 2.280 10 0 AEAERN CC[C@@H](C)c1cnc(C)c(OC)n1 14589680 572010662 /nfs/dbraw/zinc/01/06/62/572010662.db2.gz CQKQPXBHCKUVTC-SSDOTTSWSA-N 0 0 180.251 2.307 10 0 AEAERN C=C/C=C/CCC[C@H](C)O 14614338 572010898 /nfs/dbraw/zinc/01/08/98/572010898.db2.gz KOFXIBPKWDCMSE-MOVJSRMASA-N 0 0 140.226 2.280 10 0 AEAERN CCCCC[C@H](O)C1CCOCC1 68956387 572010950 /nfs/dbraw/zinc/01/09/50/572010950.db2.gz ZIINBQUKYCDDMA-NSHDSACASA-N 0 0 186.295 2.354 10 0 AEAERN COc1ccc(OC)c(OC)c1C 14590485 572011512 /nfs/dbraw/zinc/01/15/12/572011512.db2.gz LGTNJVXAUPLFNU-UHFFFAOYSA-N 0 0 182.219 2.021 10 0 AEAERN CCCCCC[C@@H](C)[NH2+]CC(=O)[O-] 34959418 572011021 /nfs/dbraw/zinc/01/10/21/572011021.db2.gz UKPOLNAPFOZABO-SECBINFHSA-N 0 0 187.283 2.020 10 0 AEAERN CSC1=Nc2ccccc2C1=O 14593618 572011028 /nfs/dbraw/zinc/01/10/28/572011028.db2.gz OFSIROMTLBHYCO-UHFFFAOYSA-N 0 0 177.228 2.276 10 0 AEAERN CC1=CC[C@H](C(C)C)[C@@H](O)C1 14588937 572011059 /nfs/dbraw/zinc/01/10/59/572011059.db2.gz UDQXLNRIDGDFAR-ZJUUUORDSA-N 0 0 154.253 2.360 10 0 endogenous,in-man AEAERN C[C@H](c1ccc(N)cc1)n1cccn1 33426849 572011081 /nfs/dbraw/zinc/01/10/81/572011081.db2.gz CAJOZYHHKXMORI-SECBINFHSA-N 0 0 187.246 2.075 10 0 AEAERN C[C@H](O)[C@@H](C)OCc1ccccc1F 68954520 572011087 /nfs/dbraw/zinc/01/10/87/572011087.db2.gz QYONCHADXBZIOT-DTWKUNHWSA-N 0 0 198.237 2.112 10 0 AEAERN CC(C)[C@H]1CC=C(CO)CC1 14588940 572011091 /nfs/dbraw/zinc/01/10/91/572011091.db2.gz FFOYLHBMVUGHSX-JTQLQIEISA-N 0 0 154.253 2.361 10 0 AEAERN CC1=C[C@H](CO)C(C)(C)[C@@H]1C 14612654 572011108 /nfs/dbraw/zinc/01/11/08/572011108.db2.gz KMSIDXMGNKQFNQ-RKDXNWHRSA-N 0 0 154.253 2.217 10 0 AEAERN CC/C=C/C[C@H](O)CC 14616894 572011514 /nfs/dbraw/zinc/01/15/14/572011514.db2.gz UGRZKHOGKYSHQP-HQZHTGGTSA-N 0 0 128.215 2.114 10 0 AEAERN CC[C@H](O)COCc1ccccc1F 68954555 572011144 /nfs/dbraw/zinc/01/11/44/572011144.db2.gz QOKJZVYXOFSSFC-JTQLQIEISA-N 0 0 198.237 2.113 10 0 AEAERN Cc1ccc(-c2ncc(N)cn2)c(C)c1 34961977 572011185 /nfs/dbraw/zinc/01/11/85/572011185.db2.gz LQTZWLFUYBUUEW-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CCOC(=O)C(C)(C)c1ccco1 68978529 572011188 /nfs/dbraw/zinc/01/11/88/572011188.db2.gz LOYJROZYAGBTGP-UHFFFAOYSA-N 0 0 182.219 2.120 10 0 AEAERN Cn1c(C=O)cc2c1-c1ccccc1C2 75123734 572011306 /nfs/dbraw/zinc/01/13/06/572011306.db2.gz XIOFQAVKUZQYSI-UHFFFAOYSA-N 0 0 197.237 2.409 10 0 AEAERN CCOC(=O)[C@@H](CC)c1ccoc1 68978496 572011365 /nfs/dbraw/zinc/01/13/65/572011365.db2.gz CJNNXTISYSYVHQ-VIFPVBQESA-N 0 0 182.219 2.336 10 0 AEAERN CC(C)=Cc1cc(C)no1 39278281 572011604 /nfs/dbraw/zinc/01/16/04/572011604.db2.gz NCBAUQNLXGYFCM-UHFFFAOYSA-N 0 0 137.182 2.406 10 0 AEAERN CCN(CC1CC1)c1cccc(F)n1 68948229 572011645 /nfs/dbraw/zinc/01/16/45/572011645.db2.gz QLNGBZPZIWDCRR-UHFFFAOYSA-N 0 0 194.253 2.457 10 0 AEAERN CCN(CC1CC1)c1ccc(C=O)o1 68947330 572011706 /nfs/dbraw/zinc/01/17/06/572011706.db2.gz JEIJREGCPBNIPT-UHFFFAOYSA-N 0 0 193.246 2.328 10 0 AEAERN CCCC[C@@](CC)([NH2+]C1CC1)C(=O)[O-] 68986309 572011780 /nfs/dbraw/zinc/01/17/80/572011780.db2.gz XHWITUHYNXBBLC-LLVKDONJSA-N 0 0 199.294 2.162 10 0 AEAERN CCCCC1(CC)CC(=O)NC(=O)C1 68989609 572012268 /nfs/dbraw/zinc/01/22/68/572012268.db2.gz IDHPRKYLHHMIHK-UHFFFAOYSA-N 0 0 197.278 2.010 10 0 AEAERN CCCC[C@](CC)([NH2+]C1CC1)C(=O)[O-] 68986306 572012364 /nfs/dbraw/zinc/01/23/64/572012364.db2.gz XHWITUHYNXBBLC-NSHDSACASA-N 0 0 199.294 2.162 10 0 AEAERN C[C@@H]1CCCc2cccc(=O)cc21 14636546 572012381 /nfs/dbraw/zinc/01/23/81/572012381.db2.gz PTSMDILTYWXXSJ-SECBINFHSA-N 0 0 174.243 2.487 10 0 AEAERN CC[C@@H](OC)[C@H](O)CC1CCCC1 124499811 572012475 /nfs/dbraw/zinc/01/24/75/572012475.db2.gz LRXHOUUMNNXDPZ-GHMZBOCLSA-N 0 0 186.295 2.353 10 0 AEAERN CCCOC[C@H](O)[C@@H]1CCC[C@H]1C 300231502 572012492 /nfs/dbraw/zinc/01/24/92/572012492.db2.gz CUPBORNPVIIDIW-MXWKQRLJSA-N 0 0 186.295 2.210 10 0 AEAERN CCCCC(=O)[C@H](C)COC 687698353 572012505 /nfs/dbraw/zinc/01/25/05/572012505.db2.gz CRSFUDIQBKQHOJ-MRVPVSSYSA-N 0 0 158.241 2.028 10 0 AEAERN COC[C@H](C)C(=O)[C@H]1CC[C@@H](C)C1 687698344 572012531 /nfs/dbraw/zinc/01/25/31/572012531.db2.gz BKANUCVSIGCZDV-UTLUCORTSA-N 0 0 184.279 2.274 10 0 AEAERN CCCOC[C@H](O)[C@H]1CCC[C@H]1C 300231503 572012736 /nfs/dbraw/zinc/01/27/36/572012736.db2.gz CUPBORNPVIIDIW-VWYCJHECSA-N 0 0 186.295 2.210 10 0 AEAERN COC[C@@H](C)C(=O)c1ccoc1C 687698349 572012796 /nfs/dbraw/zinc/01/27/96/572012796.db2.gz CIVZFZIDJNNJLJ-SSDOTTSWSA-N 0 0 182.219 2.053 10 0 AEAERN CCCC[C@](CC)([NH2+]CC)C(=O)[O-] 68986318 572012958 /nfs/dbraw/zinc/01/29/58/572012958.db2.gz WMRVENKTYQNYMW-JTQLQIEISA-N 0 0 187.283 2.020 10 0 AEAERN Cc1c(C=O)cnn1CCC(C)C 42355319 572012981 /nfs/dbraw/zinc/01/29/81/572012981.db2.gz DBXAACKGGKSYEH-UHFFFAOYSA-N 0 0 180.251 2.050 10 0 AEAERN COC[C@H](C)C(=O)[C@@H]1CC[C@H](C)C1 687698343 572012982 /nfs/dbraw/zinc/01/29/82/572012982.db2.gz BKANUCVSIGCZDV-LPEHRKFASA-N 0 0 184.279 2.274 10 0 AEAERN COC[C@H](C)C(=O)c1ccoc1C 687698350 572013058 /nfs/dbraw/zinc/01/30/58/572013058.db2.gz CIVZFZIDJNNJLJ-ZETCQYMHSA-N 0 0 182.219 2.053 10 0 AEAERN CC(C)OC[C@H](O)[C@@H]1CCC[C@H]1C 300232535 572013163 /nfs/dbraw/zinc/01/31/63/572013163.db2.gz HMIWIRGBRRMCEK-MXWKQRLJSA-N 0 0 186.295 2.209 10 0 AEAERN CC(C)OC[C@H](O)[C@H]1CCC[C@H]1C 300232536 572013420 /nfs/dbraw/zinc/01/34/20/572013420.db2.gz HMIWIRGBRRMCEK-VWYCJHECSA-N 0 0 186.295 2.209 10 0 AEAERN COC[C@H](C)C(=O)[C@@H]1CC[C@@H](C)C1 687698342 572013875 /nfs/dbraw/zinc/01/38/75/572013875.db2.gz BKANUCVSIGCZDV-KXUCPTDWSA-N 0 0 184.279 2.274 10 0 AEAERN CCOC(OCC)c1ccncc1 114247952 572014002 /nfs/dbraw/zinc/01/40/02/572014002.db2.gz AQLFDWKAJBODBL-UHFFFAOYSA-N 0 0 181.235 2.153 10 0 AEAERN COc1cccnc1[C@@H](C)CC(C)=O 234954261 572014039 /nfs/dbraw/zinc/01/40/39/572014039.db2.gz ALUITHRWBLNCOY-QMMMGPOBSA-N 0 0 193.246 2.173 10 0 AEAERN CC[C@H](O)[C@@H](O)C[C@H](C)CC(C)C 300886308 572014647 /nfs/dbraw/zinc/01/46/47/572014647.db2.gz JKNAOGMUPLZVRV-VWYCJHECSA-N 0 0 188.311 2.191 10 0 AEAERN Cc1n[nH]cc1Cn1c(C)ccc1C 42356571 572014107 /nfs/dbraw/zinc/01/41/07/572014107.db2.gz FNNZNIGAXKXRSZ-UHFFFAOYSA-N 0 0 189.262 2.185 10 0 AEAERN Nc1ncc(-c2ccccc2O)s1 14628510 572014232 /nfs/dbraw/zinc/01/42/32/572014232.db2.gz RUWPMASOGPFRAL-UHFFFAOYSA-N 0 0 192.243 2.098 10 0 AEAERN CCCCC(=O)[C@@H](C)COC 687698354 572014396 /nfs/dbraw/zinc/01/43/96/572014396.db2.gz CRSFUDIQBKQHOJ-QMMMGPOBSA-N 0 0 158.241 2.028 10 0 AEAERN CCCC[C@@](CC)([NH2+]CC)C(=O)[O-] 68986320 572014456 /nfs/dbraw/zinc/01/44/56/572014456.db2.gz WMRVENKTYQNYMW-SNVBAGLBSA-N 0 0 187.283 2.020 10 0 AEAERN CCCC(=O)CC(F)(F)F 42413128 572014584 /nfs/dbraw/zinc/01/45/84/572014584.db2.gz ZNPTZZRIBUAVRB-UHFFFAOYSA-N 0 0 154.131 2.308 10 0 AEAERN CC1(C)C[C@@H]1C(=O)C[C@@H]1CCCO1 687698635 572014597 /nfs/dbraw/zinc/01/45/97/572014597.db2.gz FHXAMEYRBFYLSA-DTWKUNHWSA-N 0 0 182.263 2.171 10 0 AEAERN c1ccc2c(NCC3CC3)nncc2c1 35206273 572014607 /nfs/dbraw/zinc/01/46/07/572014607.db2.gz IBSKICSIUSLMRV-UHFFFAOYSA-N 0 0 199.257 2.452 10 0 AEAERN CC[C@H](O)[C@H](O)C[C@H](C)CC(C)C 300886306 572014776 /nfs/dbraw/zinc/01/47/76/572014776.db2.gz JKNAOGMUPLZVRV-OUAUKWLOSA-N 0 0 188.311 2.191 10 0 AEAERN C[C@@H]1CCC[C@@H]1[C@H](CC1CCC1)NN 300235458 572014857 /nfs/dbraw/zinc/01/48/57/572014857.db2.gz QTXHUYRBLIPWNT-USWWRNFRSA-N 0 0 196.338 2.445 10 0 AEAERN CC(C)CCOCCC(=O)C(F)F 687698692 572015072 /nfs/dbraw/zinc/01/50/72/572015072.db2.gz SRHAVQOPEROTLR-UHFFFAOYSA-N 0 0 194.221 2.273 10 0 AEAERN c1c[nH]c(C2SCCS2)c1 14684331 572015135 /nfs/dbraw/zinc/01/51/35/572015135.db2.gz DIBJEPBBMNOJIQ-UHFFFAOYSA-N 0 0 171.290 2.493 10 0 AEAERN C[C@@H]1CCC[C@H]1[C@H](CC1CC1)NN 300233527 572015227 /nfs/dbraw/zinc/01/52/27/572015227.db2.gz KVKYVJWLTNGKDG-IEBDPFPHSA-N 0 0 182.311 2.055 10 0 AEAERN Cc1cc(C)c2c(c1)[C@H](O)CC2 42405551 572015233 /nfs/dbraw/zinc/01/52/33/572015233.db2.gz FQIRCPVPYXSSID-LLVKDONJSA-N 0 0 162.232 2.283 10 0 AEAERN Cc1ccncc1[C@@H](O)c1ccccc1 82089082 572015290 /nfs/dbraw/zinc/01/52/90/572015290.db2.gz KNCWDFCMDMWULD-ZDUSSCGKSA-N 0 0 199.253 2.472 10 0 AEAERN CC[C@H](O)[C@H](O)C[C@@H](C)CC(C)C 300886304 572016046 /nfs/dbraw/zinc/01/60/46/572016046.db2.gz JKNAOGMUPLZVRV-GARJFASQSA-N 0 0 188.311 2.191 10 0 AEAERN CCOc1cc(=O)c2ccccc2[nH]1 14684883 572015504 /nfs/dbraw/zinc/01/55/04/572015504.db2.gz SUALVZVEEBXYAO-UHFFFAOYSA-N 0 0 189.214 2.339 10 0 AEAERN Cc1cc(C)c2c(c1)[C@@H](O)CC2 42405553 572015520 /nfs/dbraw/zinc/01/55/20/572015520.db2.gz FQIRCPVPYXSSID-NSHDSACASA-N 0 0 162.232 2.283 10 0 AEAERN C[C@@H]1CCC[C@H]1[C@H](CCC1CC1)NN 300236031 572015532 /nfs/dbraw/zinc/01/55/32/572015532.db2.gz SSJPZGFNKKJQMG-JLLWLGSASA-N 0 0 196.338 2.445 10 0 AEAERN CCOc1ccccc1OCC(C)=O 35183367 572015572 /nfs/dbraw/zinc/01/55/72/572015572.db2.gz ZBYSCGPMXUZBJS-UHFFFAOYSA-N 0 0 194.230 2.053 10 0 AEAERN Cc1c[nH]c(-c2cc(N)ccc2C)n1 42414892 572015712 /nfs/dbraw/zinc/01/57/12/572015712.db2.gz TXOKOKFWCRGLGT-UHFFFAOYSA-N 0 0 187.246 2.276 10 0 AEAERN CC1(C)C[C@@H]1C(=O)C[C@H]1CCCO1 687698637 572015731 /nfs/dbraw/zinc/01/57/31/572015731.db2.gz FHXAMEYRBFYLSA-RKDXNWHRSA-N 0 0 182.263 2.171 10 0 AEAERN C/C=C/c1cc(O)ccc1O 14679984 572015815 /nfs/dbraw/zinc/01/58/15/572015815.db2.gz HPEYYYAUBAHOIZ-NSCUHMNNSA-N 0 0 150.177 2.131 10 0 AEAERN Cc1c[nH]c(-c2ccc(C)c(N)c2)n1 42414882 572015827 /nfs/dbraw/zinc/01/58/27/572015827.db2.gz FXLPTUGZGZWTIQ-UHFFFAOYSA-N 0 0 187.246 2.276 10 0 AEAERN COc1ccc(NCCC2CC2)nc1 234977328 572015887 /nfs/dbraw/zinc/01/58/87/572015887.db2.gz BJOGEVLQFKCIMO-UHFFFAOYSA-N 0 0 192.262 2.302 10 0 AEAERN CCc1cccc(CCCO)c1 82041703 572016014 /nfs/dbraw/zinc/01/60/14/572016014.db2.gz FTYOXDLACAPIJL-UHFFFAOYSA-N 0 0 164.248 2.174 10 0 AEAERN Cc1occc1C(=O)C[C@@H]1CCCO1 687698817 572016385 /nfs/dbraw/zinc/01/63/85/572016385.db2.gz OVAGXDPLROCBHP-VIFPVBQESA-N 0 0 194.230 2.340 10 0 AEAERN CCc1ccccc1OCC(C)=O 35182458 572016179 /nfs/dbraw/zinc/01/61/79/572016179.db2.gz ANSFUNRJJFRVTH-UHFFFAOYSA-N 0 0 178.231 2.217 10 0 AEAERN C[C@@H]1CCC[C@@H]1[C@H](CCC1CC1)NN 300236032 572016210 /nfs/dbraw/zinc/01/62/10/572016210.db2.gz SSJPZGFNKKJQMG-USWWRNFRSA-N 0 0 196.338 2.445 10 0 AEAERN CCCC[C@H](NN)[C@H]1CCC[C@H]1C 300235367 572016270 /nfs/dbraw/zinc/01/62/70/572016270.db2.gz QNMWQBOEOSQECH-VWYCJHECSA-N 0 0 184.327 2.445 10 0 AEAERN CC[C@H](O)[C@@H](O)C[C@@H](C)CC(C)C 300886302 572016712 /nfs/dbraw/zinc/01/67/12/572016712.db2.gz JKNAOGMUPLZVRV-DCAQKATOSA-N 0 0 188.311 2.191 10 0 AEAERN CC(=O)[C@]1(C)C2C[C@H]3[C@@H](C2)C31C 14690788 572016770 /nfs/dbraw/zinc/01/67/70/572016770.db2.gz OTAKYGLQNSNZRX-BAUKGFNRSA-N 0 0 164.248 2.258 10 0 endogenous,in-man AEAERN CC1(C)C[C@H]1C(=O)C[C@H]1CCCO1 687698634 572016821 /nfs/dbraw/zinc/01/68/21/572016821.db2.gz FHXAMEYRBFYLSA-BDAKNGLRSA-N 0 0 182.263 2.171 10 0 AEAERN Cc1ccoc1C(=O)C[C@@H]1CCCO1 687698855 572016844 /nfs/dbraw/zinc/01/68/44/572016844.db2.gz XUNOKYHFYJOBSB-VIFPVBQESA-N 0 0 194.230 2.340 10 0 AEAERN Cc1occc1C(=O)C[C@H]1CCCO1 687698816 572016875 /nfs/dbraw/zinc/01/68/75/572016875.db2.gz OVAGXDPLROCBHP-SECBINFHSA-N 0 0 194.230 2.340 10 0 AEAERN CCCCC(=O)Oc1ccncc1 82146811 572016900 /nfs/dbraw/zinc/01/69/00/572016900.db2.gz UFZLMNRTSCZUCW-UHFFFAOYSA-N 0 0 179.219 2.177 10 0 AEAERN CCCC[C@H](NN)[C@@H]1CCC[C@H]1C 300235366 572017038 /nfs/dbraw/zinc/01/70/38/572017038.db2.gz QNMWQBOEOSQECH-MXWKQRLJSA-N 0 0 184.327 2.445 10 0 AEAERN CCc1cnccc1C(=O)C(F)F 687699114 572017366 /nfs/dbraw/zinc/01/73/66/572017366.db2.gz JJVNLEPAMRFKJM-UHFFFAOYSA-N 0 0 185.173 2.092 10 0 AEAERN CCOC1(C(=O)C(F)F)CCCC1 687699109 572017480 /nfs/dbraw/zinc/01/74/80/572017480.db2.gz CYUGPFUQAZUOIG-UHFFFAOYSA-N 0 0 192.205 2.170 10 0 AEAERN COCCC(=O)CC1=CCCCC1 687699258 572017489 /nfs/dbraw/zinc/01/74/89/572017489.db2.gz MISXQPIATLJWJS-UHFFFAOYSA-N 0 0 182.263 2.483 10 0 AEAERN CCCC[C@@H](C)[C@H](O)COCC 300886528 572017685 /nfs/dbraw/zinc/01/76/85/572017685.db2.gz GVXFZOOODUMCIB-NXEZZACHSA-N 0 0 174.284 2.210 10 0 AEAERN CCc1nc(CC)c(CC)o1 33506592 572017693 /nfs/dbraw/zinc/01/76/93/572017693.db2.gz ZLXVSQONSJKXKB-UHFFFAOYSA-N 0 0 153.225 2.362 10 0 AEAERN CCOC(=O)N1CCC[C@@H]1C1CC1 82355327 572017778 /nfs/dbraw/zinc/01/77/78/572017778.db2.gz YROGXQGFAWTJSF-SECBINFHSA-N 0 0 183.251 2.017 10 0 AEAERN CC(C)C[C@@H](C)C[C@H](NN)C(F)F 300887877 572018096 /nfs/dbraw/zinc/01/80/96/572018096.db2.gz JNSZRGUCYUSXDZ-SFYZADRCSA-N 0 0 194.269 2.156 10 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/nfs/dbraw/zinc/10/42/46/572104246.db2.gz RIHHAUXARXELQE-SCZZXKLOSA-N 0 0 177.247 2.233 10 0 AEAERN Cc1ccc2c(c1C)NC[C@@H](C)[C@H]2O 71480786 572104275 /nfs/dbraw/zinc/10/42/75/572104275.db2.gz GFYBMEMZXOGXGK-PRHODGIISA-N 0 0 191.274 2.398 10 0 AEAERN Cc1cc(-c2ccc(N)c(C)n2)ccn1 235863653 572104309 /nfs/dbraw/zinc/10/43/09/572104309.db2.gz LATCKBXWCQYNGU-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN C[C@H]1OCC[C@]1(CO)CC(C)(C)C 713217462 572104315 /nfs/dbraw/zinc/10/43/15/572104315.db2.gz KPAKHCZJLGLVKY-MWLCHTKSSA-N 0 0 186.295 2.210 10 0 AEAERN Cc1cc(C)c2c(c1)[C@H](O)[C@@H](C)CN2 71480817 572104327 /nfs/dbraw/zinc/10/43/27/572104327.db2.gz FUPGLXVWVGUXMH-JOYOIKCWSA-N 0 0 191.274 2.398 10 0 AEAERN CC[C@H](NN)C1=CCCCCC1 234050976 572104410 /nfs/dbraw/zinc/10/44/10/572104410.db2.gz FQEDJAQPJNKZIR-JTQLQIEISA-N 0 0 168.284 2.119 10 0 AEAERN C[C@H]1CNc2cc(Cl)ccc2[C@@H]1O 71480432 572104422 /nfs/dbraw/zinc/10/44/22/572104422.db2.gz RVQNPGXJESZDAR-QUBYGPBYSA-N 0 0 197.665 2.435 10 0 AEAERN C[C@H](O)CC(C)(C)CC(F)F 17411732 572104931 /nfs/dbraw/zinc/10/49/31/572104931.db2.gz RRCONWXRFNUQPA-LURJTMIESA-N 0 0 166.211 2.439 10 0 AEAERN CC(C)OC(=O)OC(C)(C)C 17409391 572104458 /nfs/dbraw/zinc/10/44/58/572104458.db2.gz IYZPIFPRGKIJQT-UHFFFAOYSA-N 0 0 160.213 2.347 10 0 AEAERN C[C@@H]1CNc2cc(Cl)ccc2[C@H]1O 71480433 572104468 /nfs/dbraw/zinc/10/44/68/572104468.db2.gz RVQNPGXJESZDAR-LDWIPMOCSA-N 0 0 197.665 2.435 10 0 AEAERN Cc1ccc2c(c1)NC[C@H](C)[C@H]2O 71480401 572104521 /nfs/dbraw/zinc/10/45/21/572104521.db2.gz ZPEIFKCBKZLKLH-GZMMTYOYSA-N 0 0 177.247 2.090 10 0 AEAERN COC[C@H](C)[C@H](O)[C@@H](C)C(C)(C)C 687782733 572104539 /nfs/dbraw/zinc/10/45/39/572104539.db2.gz MZRPCMXCNHADFH-AEJSXWLSSA-N 0 0 188.311 2.312 10 0 AEAERN Cc1cc(C)c2c(c1)NC[C@H](C)[C@@H]2O 71480879 572104548 /nfs/dbraw/zinc/10/45/48/572104548.db2.gz VAULQRMXUZILPH-CABZTGNLSA-N 0 0 191.274 2.398 10 0 AEAERN Cc1ccc2c(c1)[C@@H](O)[C@H](C)CN2 71480496 572104560 /nfs/dbraw/zinc/10/45/60/572104560.db2.gz UNENKOPVTAJGNA-KCJUWKMLSA-N 0 0 177.247 2.090 10 0 AEAERN CCc1occc1[C@@]1(O)C[C@@H]1CC 234049180 572104566 /nfs/dbraw/zinc/10/45/66/572104566.db2.gz SZQZHFHEKUOKBJ-GZMMTYOYSA-N 0 0 180.247 2.460 10 0 AEAERN C[C@@H](O)C1C(C)(C)CC1(C)C 17416806 572104587 /nfs/dbraw/zinc/10/45/87/572104587.db2.gz ZDPJOVXXOVRNBZ-SSDOTTSWSA-N 0 0 156.269 2.440 10 0 AEAERN Cc1cc(C)c2c(c1)[C@@H](O)[C@H](C)CN2 71480816 572104589 /nfs/dbraw/zinc/10/45/89/572104589.db2.gz FUPGLXVWVGUXMH-SKDRFNHKSA-N 0 0 191.274 2.398 10 0 AEAERN Cc1cc(C)c2c(c1)NC[C@H](C)[C@H]2O 71480881 572104610 /nfs/dbraw/zinc/10/46/10/572104610.db2.gz VAULQRMXUZILPH-JOYOIKCWSA-N 0 0 191.274 2.398 10 0 AEAERN Cc1cccc2c1N[C@@H](C)C[C@@H]2O 71481064 572104621 /nfs/dbraw/zinc/10/46/21/572104621.db2.gz RIHHAUXARXELQE-WPRPVWTQSA-N 0 0 177.247 2.233 10 0 AEAERN CCC(C)(C)C[C@@H](O)c1ncc[nH]1 713217494 572104642 /nfs/dbraw/zinc/10/46/42/572104642.db2.gz LIPNWCSIIDPUQQ-MRVPVSSYSA-N 0 0 182.267 2.269 10 0 AEAERN CO[C@@H]1c2ccccc2NC[C@H]1C 71480269 572104652 /nfs/dbraw/zinc/10/46/52/572104652.db2.gz OSKVIDOHHVQJJL-KCJUWKMLSA-N 0 0 177.247 2.436 10 0 AEAERN C[C@@H]1CNc2ccc(Cl)cc2[C@H]1O 71480561 572104939 /nfs/dbraw/zinc/10/49/39/572104939.db2.gz FIVGWERKXYRMEJ-LDWIPMOCSA-N 0 0 197.665 2.435 10 0 AEAERN CCc1ccc2c(c1)[C@H](O)C[C@H](C)N2 71481423 572104841 /nfs/dbraw/zinc/10/48/41/572104841.db2.gz GSYVGHXORNTOFF-QPUJVOFHSA-N 0 0 191.274 2.487 10 0 AEAERN Cc1cc(C)c2c(c1)NC[C@@H](C)[C@H]2O 71480882 572104765 /nfs/dbraw/zinc/10/47/65/572104765.db2.gz VAULQRMXUZILPH-BXKDBHETSA-N 0 0 191.274 2.398 10 0 AEAERN Cc1cc2c(cc1C)[C@@H](O)[C@@H](C)CN2 71480911 572104773 /nfs/dbraw/zinc/10/47/73/572104773.db2.gz YWFDJHDZKLXTDA-CABZTGNLSA-N 0 0 191.274 2.398 10 0 AEAERN CC1(C)C[C@@H](O)C[C@@](C)(F)C1 17418204 572104944 /nfs/dbraw/zinc/10/49/44/572104944.db2.gz HQJRAIYSTOUAKG-VXNVDRBHSA-N 0 0 160.232 2.286 10 0 AEAERN CC(C)C[C@H](O)CC(F)(F)F 17408083 572104781 /nfs/dbraw/zinc/10/47/81/572104781.db2.gz JPCPSMPFMGTZNK-LURJTMIESA-N 0 0 170.174 2.346 10 0 AEAERN Cc1ccc2c(c1C)NC[C@H](C)[C@H]2O 71480785 572104787 /nfs/dbraw/zinc/10/47/87/572104787.db2.gz GFYBMEMZXOGXGK-QPUJVOFHSA-N 0 0 191.274 2.398 10 0 AEAERN Cc1[nH]c(C)c(C(C)C)[nH+]1 34728678 572104794 /nfs/dbraw/zinc/10/47/94/572104794.db2.gz ZKBYAEJWKFPNDI-UHFFFAOYSA-N 0 0 138.214 2.150 10 0 AEAERN C[C@H]1C[C@@H](O)c2cccc(F)c2N1 71481098 572104797 /nfs/dbraw/zinc/10/47/97/572104797.db2.gz UZOPWCOAVUZMAW-IMTBSYHQSA-N 0 0 181.210 2.063 10 0 AEAERN CC(C)C[C@](C)(N)C(F)(F)F 17413645 572104822 /nfs/dbraw/zinc/10/48/22/572104822.db2.gz KKZSEERGWOLWSE-LURJTMIESA-N 0 0 169.190 2.312 10 0 AEAERN Cc1cccc2c1N[C@@H](C)C[C@H]2O 71481066 572104858 /nfs/dbraw/zinc/10/48/58/572104858.db2.gz RIHHAUXARXELQE-WCBMZHEXSA-N 0 0 177.247 2.233 10 0 AEAERN Cc1occ2c1CCCC2 26050846 572104861 /nfs/dbraw/zinc/10/48/61/572104861.db2.gz XOJDKNLNIITMOT-UHFFFAOYSA-N 0 0 136.194 2.467 10 0 AEAERN Cc1ccc(C)c(O[C@H](C)CO)c1 34729133 572104874 /nfs/dbraw/zinc/10/48/74/572104874.db2.gz VGNRIKSOWPMTKG-SNVBAGLBSA-N 0 0 180.247 2.063 10 0 AEAERN Cc1ccc(C)c2c1NC[C@@H](C)[C@@H]2O 71480848 572104879 /nfs/dbraw/zinc/10/48/79/572104879.db2.gz CYJQKTIRFHKBJL-SKDRFNHKSA-N 0 0 191.274 2.398 10 0 AEAERN CC1(C)CC(=O)C[C@](C)(F)C1 17418879 572104881 /nfs/dbraw/zinc/10/48/81/572104881.db2.gz NAEWHLWAAUJNBY-VIFPVBQESA-N 0 0 158.216 2.494 10 0 AEAERN Cc1cccc2c1NC[C@@H](C)[C@H]2O 71480274 572104916 /nfs/dbraw/zinc/10/49/16/572104916.db2.gz NRIRFPQILVWAMS-LDYMZIIASA-N 0 0 177.247 2.090 10 0 AEAERN C[C@@H]1OC[C@](O)(CC(C)(C)C)[C@H]1C 713215885 572104904 /nfs/dbraw/zinc/10/49/04/572104904.db2.gz DDXQCOSTKOLCQB-ATZCPNFKSA-N 0 0 186.295 2.209 10 0 AEAERN CO[C@@H]1c2ccccc2NC[C@@H]1C 71480270 572105016 /nfs/dbraw/zinc/10/50/16/572105016.db2.gz OSKVIDOHHVQJJL-KWQFWETISA-N 0 0 177.247 2.436 10 0 AEAERN O[C@H](C(C1CC1)C1CC1)C(F)(F)F 687782747 572105064 /nfs/dbraw/zinc/10/50/64/572105064.db2.gz PGQROYFPMIXWTM-MRVPVSSYSA-N 0 0 194.196 2.346 10 0 AEAERN C[C@@H]1C[C@@H](O)c2cccc(F)c2N1 71481097 572105034 /nfs/dbraw/zinc/10/50/34/572105034.db2.gz UZOPWCOAVUZMAW-HZGVNTEJSA-N 0 0 181.210 2.063 10 0 AEAERN CCc1ccc2c(c1)[C@@H](O)[C@@H](C)CN2 71480658 572105039 /nfs/dbraw/zinc/10/50/39/572105039.db2.gz OEYJKHDVUXTZLH-UFBFGSQYSA-N 0 0 191.274 2.344 10 0 AEAERN Cc1cc2c(cc1C)[C@H](O)[C@@H](C)CN2 71480913 572105051 /nfs/dbraw/zinc/10/50/51/572105051.db2.gz YWFDJHDZKLXTDA-JOYOIKCWSA-N 0 0 191.274 2.398 10 0 AEAERN Cc1ccc2c(c1)NC[C@@H](C)[C@H]2O 71480402 572105060 /nfs/dbraw/zinc/10/50/60/572105060.db2.gz ZPEIFKCBKZLKLH-LDYMZIIASA-N 0 0 177.247 2.090 10 0 AEAERN Cc1ccc2c(c1)[C@@H](O)[C@@H](C)CN2 71480498 572105142 /nfs/dbraw/zinc/10/51/42/572105142.db2.gz UNENKOPVTAJGNA-KWQFWETISA-N 0 0 177.247 2.090 10 0 AEAERN O[C@@H](C(C1CC1)C1CC1)C(F)(F)F 687782750 572105198 /nfs/dbraw/zinc/10/51/98/572105198.db2.gz PGQROYFPMIXWTM-QMMMGPOBSA-N 0 0 194.196 2.346 10 0 AEAERN C[C@H]1CNc2c(Cl)cccc2[C@H]1O 71480338 572105231 /nfs/dbraw/zinc/10/52/31/572105231.db2.gz CICJFFPMFADGMJ-WKEGUHRASA-N 0 0 197.665 2.435 10 0 AEAERN Cc1cc(C)c2c(c1)[C@@H](O)[C@@H](C)CN2 71480818 572105258 /nfs/dbraw/zinc/10/52/58/572105258.db2.gz FUPGLXVWVGUXMH-CABZTGNLSA-N 0 0 191.274 2.398 10 0 AEAERN C[C@H]1C[C@H](O)c2cccc(F)c2N1 71481096 572105269 /nfs/dbraw/zinc/10/52/69/572105269.db2.gz UZOPWCOAVUZMAW-RCOVLWMOSA-N 0 0 181.210 2.063 10 0 AEAERN CCc1cccc2c1NC[C@@H](C)[C@H]2O 71480626 572105278 /nfs/dbraw/zinc/10/52/78/572105278.db2.gz DPFPJNSBCIOIPZ-PRHODGIISA-N 0 0 191.274 2.344 10 0 AEAERN C[C@H]1CNc2cc(Cl)ccc2[C@H]1O 71480434 572105282 /nfs/dbraw/zinc/10/52/82/572105282.db2.gz RVQNPGXJESZDAR-WKEGUHRASA-N 0 0 197.665 2.435 10 0 AEAERN C[C@@H]1OCC[C@@]1(CO)CC(C)(C)C 713217463 572105286 /nfs/dbraw/zinc/10/52/86/572105286.db2.gz KPAKHCZJLGLVKY-ONGXEEELSA-N 0 0 186.295 2.210 10 0 AEAERN C[C@@H]1CNc2c(Cl)cccc2[C@@H]1O 71480335 572105290 /nfs/dbraw/zinc/10/52/90/572105290.db2.gz CICJFFPMFADGMJ-LHLIQPBNSA-N 0 0 197.665 2.435 10 0 AEAERN Cc1cccc2c1NC[C@@H](C)[C@@H]2O 71480272 572105294 /nfs/dbraw/zinc/10/52/94/572105294.db2.gz NRIRFPQILVWAMS-KCJUWKMLSA-N 0 0 177.247 2.090 10 0 AEAERN Cc1ccc(C)c(O[C@@H](C)CO)c1 34729130 572105313 /nfs/dbraw/zinc/10/53/13/572105313.db2.gz VGNRIKSOWPMTKG-JTQLQIEISA-N 0 0 180.247 2.063 10 0 AEAERN CC(C)C[C@](C)(O)C(F)(F)F 17413852 572105327 /nfs/dbraw/zinc/10/53/27/572105327.db2.gz ALTLGFKEUGDKQF-LURJTMIESA-N 0 0 170.174 2.346 10 0 AEAERN Cc1ccc2c(c1C)NC[C@H](C)[C@@H]2O 71480783 572105343 /nfs/dbraw/zinc/10/53/43/572105343.db2.gz GFYBMEMZXOGXGK-UFBFGSQYSA-N 0 0 191.274 2.398 10 0 AEAERN CC(C)C[C@@](C)(N)C(F)(F)F 17413643 572105357 /nfs/dbraw/zinc/10/53/57/572105357.db2.gz KKZSEERGWOLWSE-ZCFIWIBFSA-N 0 0 169.190 2.312 10 0 AEAERN CO[C@H]1c2ccccc2NC[C@@H]1C 71480268 572105384 /nfs/dbraw/zinc/10/53/84/572105384.db2.gz OSKVIDOHHVQJJL-GZMMTYOYSA-N 0 0 177.247 2.436 10 0 AEAERN C[C@H](O)C=C=C1C(C)(C)CC[C@]1(C)O 34725117 572105395 /nfs/dbraw/zinc/10/53/95/572105395.db2.gz LOBIXGQFBGBXGT-YWZYCOTJSA-N 0 0 196.290 2.020 10 0 AEAERN CCc1cccc2c1NC[C@H](C)[C@@H]2O 71480623 572105409 /nfs/dbraw/zinc/10/54/09/572105409.db2.gz DPFPJNSBCIOIPZ-UFBFGSQYSA-N 0 0 191.274 2.344 10 0 AEAERN CCc1ccc2c(c1)[C@@H](O)C[C@@H](C)N2 71481424 572105442 /nfs/dbraw/zinc/10/54/42/572105442.db2.gz GSYVGHXORNTOFF-PELKAZGASA-N 0 0 191.274 2.487 10 0 AEAERN CC1=C(c2ccccc2)[C@@H]1CO 207222436 572105445 /nfs/dbraw/zinc/10/54/45/572105445.db2.gz GYZARZPIPJVAIO-SNVBAGLBSA-N 0 0 160.216 2.082 10 0 AEAERN Cc1ccc(C)c2c1NC[C@H](C)[C@H]2O 71480849 572105508 /nfs/dbraw/zinc/10/55/08/572105508.db2.gz CYJQKTIRFHKBJL-JOYOIKCWSA-N 0 0 191.274 2.398 10 0 AEAERN C[C@H]1OCC[C@@]1(CO)CC(C)(C)C 713217461 572105532 /nfs/dbraw/zinc/10/55/32/572105532.db2.gz KPAKHCZJLGLVKY-KOLCDFICSA-N 0 0 186.295 2.210 10 0 AEAERN CO[C@H]1c2ccccc2NC[C@H]1C 71480267 572105551 /nfs/dbraw/zinc/10/55/51/572105551.db2.gz OSKVIDOHHVQJJL-LDYMZIIASA-N 0 0 177.247 2.436 10 0 AEAERN CCc1c(C)c(C=O)n(C)c1C 34722905 572105556 /nfs/dbraw/zinc/10/55/56/572105556.db2.gz MSDPXGKORKYFFW-UHFFFAOYSA-N 0 0 165.236 2.017 10 0 AEAERN CC[C@H](NN)c1c(C)cc(C)cc1F 234052219 572105578 /nfs/dbraw/zinc/10/55/78/572105578.db2.gz ZBMYDUKHRYOUEW-JTQLQIEISA-N 0 0 196.269 2.357 10 0 AEAERN CC[C@H](NN)c1c(C)cccc1C 234052247 572105589 /nfs/dbraw/zinc/10/55/89/572105589.db2.gz ZBSYDMKNFXTWRN-JTQLQIEISA-N 0 0 178.279 2.218 10 0 AEAERN Cc1cc(C)c2c(c1)NC[C@@H](C)[C@@H]2O 71480880 572105594 /nfs/dbraw/zinc/10/55/94/572105594.db2.gz VAULQRMXUZILPH-SKDRFNHKSA-N 0 0 191.274 2.398 10 0 AEAERN Cc1ccc2c(c1)[C@H](O)[C@H](C)CN2 71480495 572105677 /nfs/dbraw/zinc/10/56/77/572105677.db2.gz UNENKOPVTAJGNA-LDYMZIIASA-N 0 0 177.247 2.090 10 0 AEAERN C[C@@H](O)C=C=C1C(C)(C)CC[C@@]1(C)O 34725115 572105662 /nfs/dbraw/zinc/10/56/62/572105662.db2.gz LOBIXGQFBGBXGT-XCAIBUFFSA-N 0 0 196.290 2.020 10 0 AEAERN C[C@@H]1OCC[C@]1(CO)CC(C)(C)C 713217460 572105674 /nfs/dbraw/zinc/10/56/74/572105674.db2.gz KPAKHCZJLGLVKY-GXSJLCMTSA-N 0 0 186.295 2.210 10 0 AEAERN Cc1cc2c(cc1C)[C@@H](O)[C@H](C)CN2 71480912 572105709 /nfs/dbraw/zinc/10/57/09/572105709.db2.gz YWFDJHDZKLXTDA-SKDRFNHKSA-N 0 0 191.274 2.398 10 0 AEAERN C[C@@H](O)C=C=C1C(C)(C)CC[C@]1(C)O 34725120 572105739 /nfs/dbraw/zinc/10/57/39/572105739.db2.gz LOBIXGQFBGBXGT-CEAYOQMPSA-N 0 0 196.290 2.020 10 0 AEAERN CCc1cccc2c1N[C@H](C)C[C@@H]2O 71481395 572105740 /nfs/dbraw/zinc/10/57/40/572105740.db2.gz OZYSLLOJEYDEJO-KCJUWKMLSA-N 0 0 191.274 2.487 10 0 AEAERN C[C@@H]1C[C@H](O)c2cccc(F)c2N1 71481095 572105753 /nfs/dbraw/zinc/10/57/53/572105753.db2.gz UZOPWCOAVUZMAW-MUWHJKNJSA-N 0 0 181.210 2.063 10 0 AEAERN Cc1cc2c(cc1C)[C@H](O)[C@H](C)CN2 71480914 572105757 /nfs/dbraw/zinc/10/57/57/572105757.db2.gz YWFDJHDZKLXTDA-BXKDBHETSA-N 0 0 191.274 2.398 10 0 AEAERN COc1cccc2c1CCCO2 34742575 572105762 /nfs/dbraw/zinc/10/57/62/572105762.db2.gz BERXQZNEZOOISX-UHFFFAOYSA-N 0 0 164.204 2.020 10 0 AEAERN CCc1occc1[C@]1(O)C[C@@H]1CC 234049341 572105776 /nfs/dbraw/zinc/10/57/76/572105776.db2.gz SZQZHFHEKUOKBJ-KWQFWETISA-N 0 0 180.247 2.460 10 0 AEAERN Cc1ccc2c(c1)NC[C@@H](C)[C@@H]2O 71480400 572105783 /nfs/dbraw/zinc/10/57/83/572105783.db2.gz ZPEIFKCBKZLKLH-KCJUWKMLSA-N 0 0 177.247 2.090 10 0 AEAERN Cc1cccc2c1N[C@H](C)C[C@H]2O 71481065 572105789 /nfs/dbraw/zinc/10/57/89/572105789.db2.gz RIHHAUXARXELQE-PSASIEDQSA-N 0 0 177.247 2.233 10 0 AEAERN Cc1ccc2c(c1)NC[C@H](C)[C@@H]2O 71480399 572105802 /nfs/dbraw/zinc/10/58/02/572105802.db2.gz ZPEIFKCBKZLKLH-KWQFWETISA-N 0 0 177.247 2.090 10 0 AEAERN CCc1ccc2c(c1)[C@@H](O)[C@H](C)CN2 71480656 572105808 /nfs/dbraw/zinc/10/58/08/572105808.db2.gz OEYJKHDVUXTZLH-PELKAZGASA-N 0 0 191.274 2.344 10 0 AEAERN CCc1ccc2c(c1)[C@H](O)[C@@H](C)CN2 71480657 572105819 /nfs/dbraw/zinc/10/58/19/572105819.db2.gz OEYJKHDVUXTZLH-QPUJVOFHSA-N 0 0 191.274 2.344 10 0 AEAERN COC[C@H](C)[C@@H](O)[C@@H](C)C(C)(C)C 687782735 572105821 /nfs/dbraw/zinc/10/58/21/572105821.db2.gz MZRPCMXCNHADFH-IVZWLZJFSA-N 0 0 188.311 2.312 10 0 AEAERN Cc1ccc(C)c2c1NC[C@@H](C)[C@H]2O 71480847 572105842 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C[C@@H]1CNc2c(Cl)cccc2[C@H]1O 71480337 572106018 /nfs/dbraw/zinc/10/60/18/572106018.db2.gz CICJFFPMFADGMJ-LDWIPMOCSA-N 0 0 197.665 2.435 10 0 AEAERN C[C@@H]1CNc2cc(Cl)ccc2[C@@H]1O 71480431 572106026 /nfs/dbraw/zinc/10/60/26/572106026.db2.gz RVQNPGXJESZDAR-LHLIQPBNSA-N 0 0 197.665 2.435 10 0 AEAERN CC1=C(c2ccccc2)[C@H]1CO 207222482 572106032 /nfs/dbraw/zinc/10/60/32/572106032.db2.gz GYZARZPIPJVAIO-JTQLQIEISA-N 0 0 160.216 2.082 10 0 AEAERN CC(=O)c1ccc(O)c(C(C)C)c1O 34722381 572106071 /nfs/dbraw/zinc/10/60/71/572106071.db2.gz BAZIJDCDORCIPU-UHFFFAOYSA-N 0 0 194.230 2.424 10 0 AEAERN C[C@H]1CNc2ccc(Cl)cc2[C@@H]1O 71480560 572106057 /nfs/dbraw/zinc/10/60/57/572106057.db2.gz FIVGWERKXYRMEJ-QUBYGPBYSA-N 0 0 197.665 2.435 10 0 AEAERN CCN(CC)c1ccc(F)cc1CO 37234094 572106058 /nfs/dbraw/zinc/10/60/58/572106058.db2.gz UHFCNQUYUHVDAN-UHFFFAOYSA-N 0 0 197.253 2.164 10 0 AEAERN Cc1ccc2c(c1C)NC[C@@H](C)[C@@H]2O 71480784 572106060 /nfs/dbraw/zinc/10/60/60/572106060.db2.gz GFYBMEMZXOGXGK-PELKAZGASA-N 0 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/nfs/dbraw/zinc/10/62/27/572106227.db2.gz OZYSLLOJEYDEJO-KWQFWETISA-N 0 0 191.274 2.487 10 0 AEAERN CCN(CC)c1ccc(F)cc1C=O 37233681 572106242 /nfs/dbraw/zinc/10/62/42/572106242.db2.gz KTSORXMHBBFJIF-UHFFFAOYSA-N 0 0 195.237 2.484 10 0 AEAERN C[C@H]1CNc2ccc(Cl)cc2[C@H]1O 71480562 572106273 /nfs/dbraw/zinc/10/62/73/572106273.db2.gz FIVGWERKXYRMEJ-WKEGUHRASA-N 0 0 197.665 2.435 10 0 AEAERN Cc1ccc2c(c1)[C@H](O)[C@@H](C)CN2 71480497 572106284 /nfs/dbraw/zinc/10/62/84/572106284.db2.gz UNENKOPVTAJGNA-GZMMTYOYSA-N 0 0 177.247 2.090 10 0 AEAERN Cc1cc(C)c2c(c1)[C@H](O)[C@H](C)CN2 71480815 572106299 /nfs/dbraw/zinc/10/62/99/572106299.db2.gz FUPGLXVWVGUXMH-BXKDBHETSA-N 0 0 191.274 2.398 10 0 AEAERN CCc1ccc2c(c1)[C@H](O)[C@H](C)CN2 71480655 572106314 /nfs/dbraw/zinc/10/63/14/572106314.db2.gz OEYJKHDVUXTZLH-PRHODGIISA-N 0 0 191.274 2.344 10 0 AEAERN Nc1coc2ccccc12 26059986 572106333 /nfs/dbraw/zinc/10/63/33/572106333.db2.gz XZYWHOBAUVAMDI-UHFFFAOYSA-N 0 0 133.150 2.015 10 0 AEAERN Fc1cccc(CCc2c[nH]cn2)c1 43197303 572106347 /nfs/dbraw/zinc/10/63/47/572106347.db2.gz FPRNXRDONVGNCO-UHFFFAOYSA-N 0 0 190.221 2.334 10 0 AEAERN CC(=O)n1c(C=O)cc2oc(C)cc21 34770540 572107469 /nfs/dbraw/zinc/10/74/69/572107469.db2.gz MQZWKYRLKYWBGO-UHFFFAOYSA-N 0 0 191.186 2.015 10 0 AEAERN C[C@H]1CNc2c(Cl)cccc2[C@@H]1O 71480336 572106368 /nfs/dbraw/zinc/10/63/68/572106368.db2.gz CICJFFPMFADGMJ-QUBYGPBYSA-N 0 0 197.665 2.435 10 0 AEAERN O=C1[C@H]2C[C@H]2[C@H]2CCCC[C@@H]12 17487141 572106386 /nfs/dbraw/zinc/10/63/86/572106386.db2.gz NAMNRYRTFZXMSO-KZVJFYERSA-N 0 0 150.221 2.012 10 0 AEAERN O=C1C[C@@H]2CCC[C@](F)(C1)C2 34773442 572107472 /nfs/dbraw/zinc/10/74/72/572107472.db2.gz SMRRHXWTCQFVAD-IONNQARKSA-N 0 0 156.200 2.248 10 0 AEAERN COC[C@H](C)[C@H](O)[C@H](C)C(C)(C)C 687782734 572106435 /nfs/dbraw/zinc/10/64/35/572106435.db2.gz MZRPCMXCNHADFH-GUBZILKMSA-N 0 0 188.311 2.312 10 0 AEAERN O=C1C[C@@H]2C[C@H]1Cc1ccccc12 34741303 572106441 /nfs/dbraw/zinc/10/64/41/572106441.db2.gz CVXFSOOXPBEKAM-VHSXEESVSA-N 0 0 172.227 2.305 10 0 AEAERN CCCN(C)c1ccc(F)cc1CO 37234611 572106453 /nfs/dbraw/zinc/10/64/53/572106453.db2.gz JFFIPLBASQMSMD-UHFFFAOYSA-N 0 0 197.253 2.164 10 0 AEAERN CCc1nccn1C(C)C 34742331 572106458 /nfs/dbraw/zinc/10/64/58/572106458.db2.gz HFAJKGQCFGQDTQ-UHFFFAOYSA-N 0 0 138.214 2.026 10 0 AEAERN CC/C(=C\C[N@@H+](C)[C@@H](C)CC)C(=O)[O-] 216763249 572106526 /nfs/dbraw/zinc/10/65/26/572106526.db2.gz NAEZRZADBDRBKV-HZAKCSEPSA-N 0 0 199.294 2.138 10 0 AEAERN CC[C@H](O)C(=O)c1cc(C)cc(C)c1 234058486 572107484 /nfs/dbraw/zinc/10/74/84/572107484.db2.gz LRXRRHQJCXICBT-NSHDSACASA-N 0 0 192.258 2.257 10 0 AEAERN CCCC[C@H](C)C1N=NC(=S)N1C 300937881 572106650 /nfs/dbraw/zinc/10/66/50/572106650.db2.gz NKQFMIRPFSXPSG-ZETCQYMHSA-N 0 0 199.323 2.398 10 0 AEAERN C[C@](O)(CC1CC1)C[C@H]1CCCO1 687783869 572106898 /nfs/dbraw/zinc/10/68/98/572106898.db2.gz UHRBVPSNKOWQAU-MNOVXSKESA-N 0 0 184.279 2.107 10 0 AEAERN Cc1ccc(C)c2c1CC[C@H]2O 34753389 572107045 /nfs/dbraw/zinc/10/70/45/572107045.db2.gz FJTGBMKHPGXASE-SNVBAGLBSA-N 0 0 162.232 2.283 10 0 AEAERN CC[C@H]1OCC[C@@H]1Cn1cccc1 234056668 572107063 /nfs/dbraw/zinc/10/70/63/572107063.db2.gz DTFAFSFYZRZRML-GHMZBOCLSA-N 0 0 179.263 2.303 10 0 AEAERN CS[C@H]1CCC[C@@H]1NCC(F)F 235143016 572107091 /nfs/dbraw/zinc/10/70/91/572107091.db2.gz PBAZUWQOAZTHIV-BQBZGAKWSA-N 0 0 195.278 2.125 10 0 AEAERN CC[C@H](O)C(=O)C1CCC(C)CC1 234054119 572107136 /nfs/dbraw/zinc/10/71/36/572107136.db2.gz QLRWDWNFCUJTKU-RTBKNWGFSA-N 0 0 184.279 2.153 10 0 AEAERN Cc1ccc(C)c2c1CC[C@@H]2O 34753388 572107142 /nfs/dbraw/zinc/10/71/42/572107142.db2.gz FJTGBMKHPGXASE-JTQLQIEISA-N 0 0 162.232 2.283 10 0 AEAERN C[C@@](O)(CC1CC1)C[C@@H]1CCCO1 687783871 572107631 /nfs/dbraw/zinc/10/76/31/572107631.db2.gz UHRBVPSNKOWQAU-WDEREUQCSA-N 0 0 184.279 2.107 10 0 AEAERN O=C1C[C@H]2CCC[C@@](F)(C1)C2 34773444 572107706 /nfs/dbraw/zinc/10/77/06/572107706.db2.gz SMRRHXWTCQFVAD-APPZFPTMSA-N 0 0 156.200 2.248 10 0 AEAERN CC[C@H](O)[C@@H](O)c1ccc(C)c(C)c1 234059027 572107785 /nfs/dbraw/zinc/10/77/85/572107785.db2.gz FLTNMZAPZKDPOM-RYUDHWBXSA-N 0 0 194.274 2.108 10 0 AEAERN O[C@@H]1c2ccncc2[C@H]2CCCC[C@@H]12 34760028 572107791 /nfs/dbraw/zinc/10/77/91/572107791.db2.gz VXKJDBOJMVHLDW-SBMIAAHKSA-N 0 0 189.258 2.402 10 0 AEAERN CC[C@H](O)[C@@H](O)c1cccc(C)c1C 234059585 572107827 /nfs/dbraw/zinc/10/78/27/572107827.db2.gz IWHSMXSDBHWKFM-RYUDHWBXSA-N 0 0 194.274 2.108 10 0 AEAERN C[C@](O)(CC1CC1)C[C@@H]1CCCO1 687783870 572107854 /nfs/dbraw/zinc/10/78/54/572107854.db2.gz UHRBVPSNKOWQAU-QWRGUYRKSA-N 0 0 184.279 2.107 10 0 AEAERN CC1=C(C)[C@H](O)C[C@H]1C(C)C 34770966 572108153 /nfs/dbraw/zinc/10/81/53/572108153.db2.gz DJXVVZQRGHGATF-VHSXEESVSA-N 0 0 154.253 2.360 10 0 AEAERN CCc1cc2c(s1)SCC(=O)N2 34753477 572107923 /nfs/dbraw/zinc/10/79/23/572107923.db2.gz KSXRNMPKNSGFBI-UHFFFAOYSA-N 0 0 199.300 2.355 10 0 AEAERN Cc1cccc([C@@H]2C[C@@H](O)CCO2)c1 34752458 572107930 /nfs/dbraw/zinc/10/79/30/572107930.db2.gz OAZXZBVUJRKNQY-RYUDHWBXSA-N 0 0 192.258 2.207 10 0 AEAERN CC[C@H](O)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 234057586 572108006 /nfs/dbraw/zinc/10/80/06/572108006.db2.gz NYVJNABZEMDNLK-YTWAJWBKSA-N 0 0 198.306 2.399 10 0 AEAERN CC(=O)/C=C/C(F)(F)C(F)F 17553637 572108121 /nfs/dbraw/zinc/10/81/21/572108121.db2.gz LQIJUGWTOVTPFD-NSCUHMNNSA-N 0 0 170.105 2.032 10 0 AEAERN CC1(C)CCc2cnccc2[C@@H]1O 34760070 572108301 /nfs/dbraw/zinc/10/83/01/572108301.db2.gz KAIVQOVROLZJPN-JTQLQIEISA-N 0 0 177.247 2.087 10 0 AEAERN CC(C)C1=CC[C@H](C)C[C@H]1O 34762467 572108322 /nfs/dbraw/zinc/10/83/22/572108322.db2.gz LWWSLALQNBCHNL-WCBMZHEXSA-N 0 0 154.253 2.360 10 0 AEAERN CC[C@H](O)C(=O)c1ccc(F)cc1C 234059187 572108375 /nfs/dbraw/zinc/10/83/75/572108375.db2.gz DXJMWDTZLZKTID-JTQLQIEISA-N 0 0 196.221 2.088 10 0 AEAERN CC1=C(C(C)C)C[C@@H](O)[C@@H]1C 34770965 572108411 /nfs/dbraw/zinc/10/84/11/572108411.db2.gz ODPLJTOIHQLQRL-PSASIEDQSA-N 0 0 154.253 2.360 10 0 AEAERN CCc1cccc2cc[nH]c(=O)c12 34752542 572108437 /nfs/dbraw/zinc/10/84/37/572108437.db2.gz XPIYWINOFJSIIA-UHFFFAOYSA-N 0 0 173.215 2.091 10 0 AEAERN CC[C@H]1C(=O)Nc2c(F)cc(F)cc21 234058409 572108454 /nfs/dbraw/zinc/10/84/54/572108454.db2.gz RUSFOHWEZFPWTR-ZCFIWIBFSA-N 0 0 197.184 2.411 10 0 AEAERN C[C@@H]1c2cnccc2[C@@H](O)C1(C)C 34760024 572108461 /nfs/dbraw/zinc/10/84/61/572108461.db2.gz AYWJFEIGKIBWLQ-GMSGAONNSA-N 0 0 177.247 2.258 10 0 AEAERN CC(C)C1=CC[C@H](C)C[C@@H]1O 34762474 572108500 /nfs/dbraw/zinc/10/85/00/572108500.db2.gz LWWSLALQNBCHNL-WPRPVWTQSA-N 0 0 154.253 2.360 10 0 AEAERN CC[C@H](O)C(=O)c1cc(C)ccc1F 234058546 572108751 /nfs/dbraw/zinc/10/87/51/572108751.db2.gz WCISWTRZZAJUCR-JTQLQIEISA-N 0 0 196.221 2.088 10 0 AEAERN c1cc2c(ncc3c[nH]nc32)s1 34766029 572108768 /nfs/dbraw/zinc/10/87/68/572108768.db2.gz JTKCWCLURNYERZ-UHFFFAOYSA-N 0 0 175.216 2.173 10 0 AEAERN COc1ccc2cc(C)cn2c1 34763302 572108772 /nfs/dbraw/zinc/10/87/72/572108772.db2.gz AYHMUWCSCLLKRK-UHFFFAOYSA-N 0 0 161.204 2.256 10 0 AEAERN CC[C@H](C(=O)c1ccccc1)N(C)C 37333573 572111155 /nfs/dbraw/zinc/11/11/55/572111155.db2.gz DMSXSNDLCZVILT-LLVKDONJSA-N 0 0 191.274 2.210 10 0 AEAERN CCOc1ccc2c(ccn2C)c1O 34745030 572108826 /nfs/dbraw/zinc/10/88/26/572108826.db2.gz VASQXZIEEJSNHC-UHFFFAOYSA-N 0 0 191.230 2.283 10 0 AEAERN CC(C)CC[C@@](C)(O)C(F)F 17546412 572108853 /nfs/dbraw/zinc/10/88/53/572108853.db2.gz LYLJLXFJGMSWEV-MRVPVSSYSA-N 0 0 166.211 2.439 10 0 AEAERN CC1=CC[C@](O)(C(C)C)C=C1 34742767 572108959 /nfs/dbraw/zinc/10/89/59/572108959.db2.gz CALVDKLTOSHCMT-JTQLQIEISA-N 0 0 152.237 2.280 10 0 AEAERN Cc1cccc([C@H]2C[C@@H](O)CCO2)c1 34752459 572108991 /nfs/dbraw/zinc/10/89/91/572108991.db2.gz OAZXZBVUJRKNQY-NWDGAFQWSA-N 0 0 192.258 2.207 10 0 AEAERN Cc1cccc([C@H]2C[C@H](O)CCO2)c1 34752457 572109054 /nfs/dbraw/zinc/10/90/54/572109054.db2.gz OAZXZBVUJRKNQY-VXGBXAGGSA-N 0 0 192.258 2.207 10 0 AEAERN CC[C@H](O)[C@@H](O)c1ccc(C)cc1C 234059079 572109057 /nfs/dbraw/zinc/10/90/57/572109057.db2.gz LDLJMKYDAAMZQI-RYUDHWBXSA-N 0 0 194.274 2.108 10 0 AEAERN CC[C@H](O)[C@@H](O)c1cc(C)cc(C)c1 234058630 572109064 /nfs/dbraw/zinc/10/90/64/572109064.db2.gz VDCNXKFYXJURTJ-RYUDHWBXSA-N 0 0 194.274 2.108 10 0 AEAERN CC(C)C1=CC[C@@H](C)C[C@H]1O 34762464 572109105 /nfs/dbraw/zinc/10/91/05/572109105.db2.gz LWWSLALQNBCHNL-PSASIEDQSA-N 0 0 154.253 2.360 10 0 AEAERN CN(C)c1ccn2cccc2c1 34750559 572109312 /nfs/dbraw/zinc/10/93/12/572109312.db2.gz XOTFSKBKWGTKPU-UHFFFAOYSA-N 0 0 160.220 2.005 10 0 AEAERN CC[C@H](O)C(=O)[C@H]1CCC[C@@H](C)C1 234057806 572109301 /nfs/dbraw/zinc/10/93/01/572109301.db2.gz WFHONIRSOKEKQV-UTLUCORTSA-N 0 0 184.279 2.153 10 0 AEAERN CCCC[C@@H](C)Nc1cn[nH]c1 37260784 572109306 /nfs/dbraw/zinc/10/93/06/572109306.db2.gz NOGNSDNKKATOCC-MRVPVSSYSA-N 0 0 167.256 2.400 10 0 AEAERN COC(OC)c1ccsc1 34768314 572109338 /nfs/dbraw/zinc/10/93/38/572109338.db2.gz SSXDJHBUYFUCQH-UHFFFAOYSA-N 0 0 158.222 2.040 10 0 AEAERN CO[C@H](C(C)C)[C@H](C)/C=C(\C)CO 34745226 572109404 /nfs/dbraw/zinc/10/94/04/572109404.db2.gz 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/nfs/dbraw/zinc/10/98/44/572109844.db2.gz SOABOGWIZCYRHC-UHFFFAOYSA-N 0 0 192.262 2.130 10 0 AEAERN CC1(C)CCc2cnccc2[C@H]1O 34760071 572109881 /nfs/dbraw/zinc/10/98/81/572109881.db2.gz KAIVQOVROLZJPN-SNVBAGLBSA-N 0 0 177.247 2.087 10 0 AEAERN CCCC[C@H](C)Nc1cn[nH]c1 37260786 572109886 /nfs/dbraw/zinc/10/98/86/572109886.db2.gz NOGNSDNKKATOCC-QMMMGPOBSA-N 0 0 167.256 2.400 10 0 AEAERN Cc1c(N)ccc2cc[nH]c12 34761575 572109892 /nfs/dbraw/zinc/10/98/92/572109892.db2.gz GGWWAXYFAZKAJG-UHFFFAOYSA-N 0 0 146.193 2.059 10 0 AEAERN CC1=CC[C@@](O)(C(C)C)C=C1 34742768 572109923 /nfs/dbraw/zinc/10/99/23/572109923.db2.gz CALVDKLTOSHCMT-SNVBAGLBSA-N 0 0 152.237 2.280 10 0 AEAERN CCCC[C@@H](C)Nc1cnn(C)c1 37259875 572109992 /nfs/dbraw/zinc/10/99/92/572109992.db2.gz BJFMQJGJIMCGNB-SECBINFHSA-N 0 0 181.283 2.411 10 0 AEAERN CCCC[C@H]1CC(=O)N[C@H](C)C1 207256101 572111083 /nfs/dbraw/zinc/11/10/83/572111083.db2.gz MBTJFCMGYGPQQL-RKDXNWHRSA-N 0 0 169.268 2.091 10 0 AEAERN CC(C)C[C@@](C)(O)C[C@H]1CCCO1 687783697 572110286 /nfs/dbraw/zinc/11/02/86/572110286.db2.gz IPBMHDCHAQIISP-GHMZBOCLSA-N 0 0 186.295 2.353 10 0 AEAERN C[C@H]1C[C@H]1Cn1cc[nH+]c1NC1CC1 235626280 572110343 /nfs/dbraw/zinc/11/03/43/572110343.db2.gz FQQNWAWHHYAUEO-IUCAKERBSA-N 0 0 191.278 2.113 10 0 AEAERN COC(=O)CCCOCCC(C)C 37286814 572110363 /nfs/dbraw/zinc/11/03/63/572110363.db2.gz HCPAYYUVHDBZEB-UHFFFAOYSA-N 0 0 188.267 2.002 10 0 AEAERN CCC[N@H+](CC)CC(=O)C(C)(C)C 37335000 572110403 /nfs/dbraw/zinc/11/04/03/572110403.db2.gz SCTWNWAXYCJFCY-UHFFFAOYSA-N 0 0 185.311 2.334 10 0 AEAERN CC[N@H+](CC(C)C)[C@H]1CCCC1=O 37336281 572110426 /nfs/dbraw/zinc/11/04/26/572110426.db2.gz WLMADUDIHNIWEM-JTQLQIEISA-N 0 0 183.295 2.086 10 0 AEAERN CCCC[N@H+](CC)[C@@H]1CCCC1=O 37331574 572111100 /nfs/dbraw/zinc/11/11/00/572111100.db2.gz CPSMVJMEPYNGGD-SNVBAGLBSA-N 0 0 183.295 2.230 10 0 AEAERN CCC[N@H+](C(C)C)[C@@H](C)C(C)=O 37335070 572111113 /nfs/dbraw/zinc/11/11/13/572111113.db2.gz ALNZYUBILFGAKD-VIFPVBQESA-N 0 0 171.284 2.084 10 0 AEAERN CCC[N@H+](CC(=O)C(C)(C)C)C1CC1 37335385 572110730 /nfs/dbraw/zinc/11/07/30/572110730.db2.gz KQVKTSYEWGDBMI-UHFFFAOYSA-N 0 0 197.322 2.476 10 0 AEAERN CC[N@H+](CC(=O)C(C)(C)C)C1CC1 37334137 572110777 /nfs/dbraw/zinc/11/07/77/572110777.db2.gz HDVHQEPEHAJXKL-UHFFFAOYSA-N 0 0 183.295 2.086 10 0 AEAERN C[C@@H](C1CC1)[N@H+](C)CC(=O)C(C)(C)C 37338919 572111171 /nfs/dbraw/zinc/11/11/71/572111171.db2.gz HYPZEZDUAPEMRV-VIFPVBQESA-N 0 0 197.322 2.332 10 0 AEAERN CCCC[C@H]1CC(=O)N[C@@H](C)C1 207256015 572110893 /nfs/dbraw/zinc/11/08/93/572110893.db2.gz MBTJFCMGYGPQQL-DTWKUNHWSA-N 0 0 169.268 2.091 10 0 AEAERN COC(C)(C)[C@@H](O)CC(C)(C)C 713218505 572111013 /nfs/dbraw/zinc/11/10/13/572111013.db2.gz PFMSXJINCSNBFM-QMMMGPOBSA-N 0 0 174.284 2.209 10 0 AEAERN CCCC[C@@H]1CC(=O)N[C@H](C)C1 207256146 572111409 /nfs/dbraw/zinc/11/14/09/572111409.db2.gz MBTJFCMGYGPQQL-BDAKNGLRSA-N 0 0 169.268 2.091 10 0 AEAERN CCC[N@H+](C1CC1)[C@H]1CCCCC1=O 37335284 572111488 /nfs/dbraw/zinc/11/14/88/572111488.db2.gz COPRFECHASKAME-NSHDSACASA-N 0 0 195.306 2.373 10 0 AEAERN CCCCCCOc1cnccn1 114364556 572111521 /nfs/dbraw/zinc/11/15/21/572111521.db2.gz PHGHIAQSAVHENI-UHFFFAOYSA-N 0 0 180.251 2.436 10 0 AEAERN CC(=O)c1cnc(C)n1C(C)(C)C 34883959 572111523 /nfs/dbraw/zinc/11/15/23/572111523.db2.gz FLRIKQFCUGNIDT-UHFFFAOYSA-N 0 0 180.251 2.149 10 0 AEAERN CCCC[C@@H]1CC(=O)N[C@@H](C)C1 207256055 572111846 /nfs/dbraw/zinc/11/18/46/572111846.db2.gz MBTJFCMGYGPQQL-IUCAKERBSA-N 0 0 169.268 2.091 10 0 AEAERN CC(C)C[C@@](C)(O)C[C@@H]1CCCO1 687783700 572111862 /nfs/dbraw/zinc/11/18/62/572111862.db2.gz IPBMHDCHAQIISP-WDEREUQCSA-N 0 0 186.295 2.353 10 0 AEAERN CC(C)C[C@](C)(O)C[C@H]1CCCO1 687783698 572112010 /nfs/dbraw/zinc/11/20/10/572112010.db2.gz IPBMHDCHAQIISP-MNOVXSKESA-N 0 0 186.295 2.353 10 0 AEAERN CCCC1(c2nc(C)c(CO)o2)CC1 400935481 572112028 /nfs/dbraw/zinc/11/20/28/572112028.db2.gz QKCKFIMKKFMPRX-UHFFFAOYSA-N 0 0 195.262 2.307 10 0 AEAERN CCCSCCCC(=O)OC 37287024 572112635 /nfs/dbraw/zinc/11/26/35/572112635.db2.gz OXCIYTUSQHENDA-UHFFFAOYSA-N 0 0 176.281 2.083 10 0 AEAERN CC[C@H](C)[N@H+](C)CC(=O)C(C)(C)C 37336146 572112081 /nfs/dbraw/zinc/11/20/81/572112081.db2.gz RJPRYGMJUVNZAI-VIFPVBQESA-N 0 0 185.311 2.332 10 0 AEAERN COC(=O)CCCNc1ccccc1 37286411 572112097 /nfs/dbraw/zinc/11/20/97/572112097.db2.gz AKLLCCKTVZPGBX-UHFFFAOYSA-N 0 0 193.246 2.052 10 0 AEAERN CCCCc1noc([C@H](C)NCC)n1 82778132 572112164 /nfs/dbraw/zinc/11/21/64/572112164.db2.gz GBGVDMGAPQWIKH-QMMMGPOBSA-N 0 0 197.282 2.083 10 0 AEAERN CCC(C)(C)OCCCC(=O)OC 37286890 572112649 /nfs/dbraw/zinc/11/26/49/572112649.db2.gz CQEGKRLQDKAFEM-UHFFFAOYSA-N 0 0 188.267 2.145 10 0 AEAERN COc1cc(C)cc(/C(C)=C/CO)c1 34875406 572112650 /nfs/dbraw/zinc/11/26/50/572112650.db2.gz YVUSDPFZSYCDFY-ONNFQVAWSA-N 0 0 192.258 2.399 10 0 AEAERN CCCCC[N@H+](C)[C@@H]1CCCC1=O 37336802 572112259 /nfs/dbraw/zinc/11/22/59/572112259.db2.gz CJPOQLXWEHXAGI-SNVBAGLBSA-N 0 0 183.295 2.230 10 0 AEAERN CCCCC[N@H+](C)[C@@H](C)C(C)=O 37336772 572112271 /nfs/dbraw/zinc/11/22/71/572112271.db2.gz KCOWFKDRRKTVKG-VIFPVBQESA-N 0 0 171.284 2.086 10 0 AEAERN CC[C@@H](C)[N@H+](CC)[C@@H](C)C(C)=O 37336462 572112280 /nfs/dbraw/zinc/11/22/80/572112280.db2.gz WCLIXXLYRUTQHF-BDAKNGLRSA-N 0 0 171.284 2.084 10 0 AEAERN CCSCc1cn(C(C)C)nn1 393339283 572112288 /nfs/dbraw/zinc/11/22/88/572112288.db2.gz SWDKULDOBFHKOG-UHFFFAOYSA-N 0 0 185.296 2.112 10 0 AEAERN CC(C)C[C@H](C)CC(C)(CO)CO 300941970 572112301 /nfs/dbraw/zinc/11/23/01/572112301.db2.gz OUEOWDWZJOJOOP-JTQLQIEISA-N 0 0 188.311 2.050 10 0 AEAERN CCc1ccc(C(=O)CN(C)C)s1 37333618 572112307 /nfs/dbraw/zinc/11/23/07/572112307.db2.gz RPSSDZZQPDKWQS-UHFFFAOYSA-N 0 0 197.303 2.055 10 0 AEAERN CC[C@H](O)C(=O)c1ccsc1C 234059969 572112323 /nfs/dbraw/zinc/11/23/23/572112323.db2.gz XWQZFLAMSJRVLG-QMMMGPOBSA-N 0 0 184.260 2.010 10 0 AEAERN CCCC[N@H+](C)[C@@H]1CCCCC1=O 37331390 572112335 /nfs/dbraw/zinc/11/23/35/572112335.db2.gz BIUGPHCTYZATHI-SNVBAGLBSA-N 0 0 183.295 2.230 10 0 AEAERN CC[N@H+](CC(=O)C(C)(C)C)C(C)C 37334523 572112349 /nfs/dbraw/zinc/11/23/49/572112349.db2.gz IIUWWNUAWWFFGX-UHFFFAOYSA-N 0 0 185.311 2.332 10 0 AEAERN COC(C)(C)[C@H](O)CC(C)(C)C 713218503 572112376 /nfs/dbraw/zinc/11/23/76/572112376.db2.gz PFMSXJINCSNBFM-MRVPVSSYSA-N 0 0 174.284 2.209 10 0 AEAERN CCCCc1noc([C@@H](C)NCC)n1 82778129 572112389 /nfs/dbraw/zinc/11/23/89/572112389.db2.gz GBGVDMGAPQWIKH-MRVPVSSYSA-N 0 0 197.282 2.083 10 0 AEAERN CC[N@H+](CC(C)C)[C@@H]1CCCC1=O 37336279 572112452 /nfs/dbraw/zinc/11/24/52/572112452.db2.gz WLMADUDIHNIWEM-SNVBAGLBSA-N 0 0 183.295 2.086 10 0 AEAERN CC[C@@H](C)[N@H+](C)CC(=O)C(C)(C)C 37336144 572112480 /nfs/dbraw/zinc/11/24/80/572112480.db2.gz RJPRYGMJUVNZAI-SECBINFHSA-N 0 0 185.311 2.332 10 0 AEAERN CCCC[N@H+](CC)[C@H]1CCCC1=O 37331576 572112494 /nfs/dbraw/zinc/11/24/94/572112494.db2.gz CPSMVJMEPYNGGD-JTQLQIEISA-N 0 0 183.295 2.230 10 0 AEAERN CCCCC[N@H+](C)[C@H]1CCCC1=O 37336804 572112524 /nfs/dbraw/zinc/11/25/24/572112524.db2.gz CJPOQLXWEHXAGI-JTQLQIEISA-N 0 0 183.295 2.230 10 0 AEAERN C[N@H+](CC(=O)C(C)(C)C)C1CCCC1 37334786 572112542 /nfs/dbraw/zinc/11/25/42/572112542.db2.gz RIKCMQBEKGTQMP-UHFFFAOYSA-N 0 0 197.322 2.476 10 0 AEAERN CCCC[N@H+](C)[C@H]1CCCCC1=O 37331392 572112561 /nfs/dbraw/zinc/11/25/61/572112561.db2.gz BIUGPHCTYZATHI-JTQLQIEISA-N 0 0 183.295 2.230 10 0 AEAERN CCC(CC)[N@H+](C)[C@@H](C)C(C)=O 37339120 572112570 /nfs/dbraw/zinc/11/25/70/572112570.db2.gz PKHFICMRZWYAGB-QMMMGPOBSA-N 0 0 171.284 2.084 10 0 AEAERN CC[C@@H](C(=O)c1ccccc1)N(C)C 37333571 572112600 /nfs/dbraw/zinc/11/26/00/572112600.db2.gz DMSXSNDLCZVILT-NSHDSACASA-N 0 0 191.274 2.210 10 0 AEAERN CC[C@@H](C)SCCCC(=O)OC 37287021 572112676 /nfs/dbraw/zinc/11/26/76/572112676.db2.gz XNDFHHGWOQFLAV-MRVPVSSYSA-N 0 0 190.308 2.471 10 0 AEAERN CC[N@@H+](C1CCCC1)[C@H](C)C(C)=O 37337451 572112679 /nfs/dbraw/zinc/11/26/79/572112679.db2.gz OENPSNIKSOBXOO-SECBINFHSA-N 0 0 183.295 2.228 10 0 AEAERN C[C@H](C1CC1)[N@H+](C)CC(=O)C(C)(C)C 37338920 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/nfs/dbraw/zinc/12/75/13/572127513.db2.gz QWQBJTAABRSSQL-LPEHRKFASA-N 0 0 174.284 2.209 10 0 AEAERN CC(C)CCO[C@H](C)C[C@H](C)O 82815501 572127591 /nfs/dbraw/zinc/12/75/91/572127591.db2.gz PFVXWCVGQSZUOA-VHSXEESVSA-N 0 0 174.284 2.209 10 0 AEAERN CCC[C@H](C)[C@@H](O)C[C@H](C)OC 300349461 572127617 /nfs/dbraw/zinc/12/76/17/572127617.db2.gz QWQBJTAABRSSQL-GUBZILKMSA-N 0 0 174.284 2.209 10 0 AEAERN C[C@H](SCc1ccoc1)[C@@H](C)O 300341343 572127674 /nfs/dbraw/zinc/12/76/74/572127674.db2.gz UODFGCZPINGVRI-SFYZADRCSA-N 0 0 186.276 2.282 10 0 AEAERN CC(C)CCO[C@@H](C)C[C@H](C)O 82815500 572127702 /nfs/dbraw/zinc/12/77/02/572127702.db2.gz PFVXWCVGQSZUOA-UWVGGRQHSA-N 0 0 174.284 2.209 10 0 AEAERN CCCCC[C@@H](O)c1ccncn1 69639095 572127766 /nfs/dbraw/zinc/12/77/66/572127766.db2.gz DKSXPQWEGNKAIS-SNVBAGLBSA-N 0 0 180.251 2.090 10 0 AEAERN C[C@H](CC1CC1)NCC(F)(F)F 69665220 572127770 /nfs/dbraw/zinc/12/77/70/572127770.db2.gz RULMBYBFYYVDIH-ZCFIWIBFSA-N 0 0 181.201 2.327 10 0 AEAERN CCn1ccnc1C(C)(C)CC(C)=O 82816208 572127776 /nfs/dbraw/zinc/12/77/76/572127776.db2.gz GOYGKVDHGUPEAT-UHFFFAOYSA-N 0 0 194.278 2.160 10 0 AEAERN CCCCCO[C@@H](C)C[C@H](C)O 82815565 572127540 /nfs/dbraw/zinc/12/75/40/572127540.db2.gz AHXJSJJQBBBUML-UWVGGRQHSA-N 0 0 174.284 2.353 10 0 AEAERN C[C@H](O)C[C@@H](C)Oc1ccccc1 82815463 572127793 /nfs/dbraw/zinc/12/77/93/572127793.db2.gz QACLFMNGNFHTBM-VHSXEESVSA-N 0 0 180.247 2.225 10 0 AEAERN C[C@H](O)C[C@H](C)Oc1cccc(F)c1 82815472 572127884 /nfs/dbraw/zinc/12/78/84/572127884.db2.gz HDXIDQPEVMGKFR-IUCAKERBSA-N 0 0 198.237 2.364 10 0 AEAERN Cc1cccc2[nH]c(-c3cc[nH]n3)nc12 82821720 572127933 /nfs/dbraw/zinc/12/79/33/572127933.db2.gz WPIGLOYSFZSOEG-UHFFFAOYSA-N 0 0 198.229 2.261 10 0 AEAERN CC[C@H](C[C@@H](C)CC(C)C)NN 300950920 572127960 /nfs/dbraw/zinc/12/79/60/572127960.db2.gz PRUBBHQGFDHKLP-VHSXEESVSA-N 0 0 172.316 2.301 10 0 AEAERN CCCC[C@H](NN)c1cnc(C)s1 300349188 572127962 /nfs/dbraw/zinc/12/79/62/572127962.db2.gz YYFICAQPYSYUQU-QMMMGPOBSA-N 0 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/nfs/dbraw/zinc/12/81/39/572128139.db2.gz URQXAJFBTJKILV-UHFFFAOYSA-N 0 0 198.229 2.261 10 0 AEAERN C[C@H](O)C[C@@H](C)Oc1cccc(F)c1 82815470 572128167 /nfs/dbraw/zinc/12/81/67/572128167.db2.gz HDXIDQPEVMGKFR-DTWKUNHWSA-N 0 0 198.237 2.364 10 0 AEAERN C[C@@H](C[C@@H](C)O)Oc1ccccc1 82815465 572128220 /nfs/dbraw/zinc/12/82/20/572128220.db2.gz QACLFMNGNFHTBM-ZJUUUORDSA-N 0 0 180.247 2.225 10 0 AEAERN CCn1cc(C(C)(C)CC(C)=O)cn1 82816167 572128264 /nfs/dbraw/zinc/12/82/64/572128264.db2.gz BUQYLOOUWIHPPQ-UHFFFAOYSA-N 0 0 194.278 2.160 10 0 AEAERN CCC[C@H](C)[C@](C)(O)[C@H](C)OC 300348777 572128289 /nfs/dbraw/zinc/12/82/89/572128289.db2.gz OZVHIIZYAOPRFW-GUBZILKMSA-N 0 0 174.284 2.209 10 0 AEAERN CC(C)(C)CC[C@@H](O)c1ccncn1 69639087 572128304 /nfs/dbraw/zinc/12/83/04/572128304.db2.gz PPAVJJRRFAWTIW-SNVBAGLBSA-N 0 0 194.278 2.336 10 0 AEAERN CC(C)CCO[C@@H](C)C[C@@H](C)O 82815498 572128396 /nfs/dbraw/zinc/12/83/96/572128396.db2.gz PFVXWCVGQSZUOA-ZJUUUORDSA-N 0 0 174.284 2.209 10 0 AEAERN 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GHGFLVGVQLTXKO-UHFFFAOYSA-N 0 0 194.278 2.160 10 0 AEAERN C[C@H](O)C[C@H](C)Oc1ccccc1 82815464 572128873 /nfs/dbraw/zinc/12/88/73/572128873.db2.gz QACLFMNGNFHTBM-UWVGGRQHSA-N 0 0 180.247 2.225 10 0 AEAERN C[C@@H](O)C[C@@H](C)Oc1ccc(F)cc1 82815460 572128765 /nfs/dbraw/zinc/12/87/65/572128765.db2.gz MPNIQLZAEDAEQN-RKDXNWHRSA-N 0 0 198.237 2.364 10 0 AEAERN CCC[C@@H](C)[C@@](O)(COC)C1CC1 300349344 572128856 /nfs/dbraw/zinc/12/88/56/572128856.db2.gz QPHPFIKNLHCJDO-KOLCDFICSA-N 0 0 186.295 2.210 10 0 AEAERN CC(C)(C)CC[C@H](O)c1ccncn1 69639085 572129290 /nfs/dbraw/zinc/12/92/90/572129290.db2.gz PPAVJJRRFAWTIW-JTQLQIEISA-N 0 0 194.278 2.336 10 0 AEAERN CCC[C@@H](C)CC(=O)c1ccncn1 69638922 572129314 /nfs/dbraw/zinc/12/93/14/572129314.db2.gz XWOAHCRQCQYAPD-SECBINFHSA-N 0 0 192.262 2.486 10 0 AEAERN CCCCCC(=O)c1ccncn1 69638899 572129341 /nfs/dbraw/zinc/12/93/41/572129341.db2.gz GTBRESPNORGHOI-UHFFFAOYSA-N 0 0 178.235 2.240 10 0 AEAERN COCC(=O)C1C[C@@H](C)C[C@@H](C)C1 82833286 572129638 /nfs/dbraw/zinc/12/96/38/572129638.db2.gz PTDOHJWAKQWBCS-ULKQDVFKSA-N 0 0 184.279 2.274 10 0 AEAERN C[C@@H](CC1CC1)NCC(F)(F)F 69665218 572129489 /nfs/dbraw/zinc/12/94/89/572129489.db2.gz RULMBYBFYYVDIH-LURJTMIESA-N 0 0 181.201 2.327 10 0 AEAERN CC[C@H](C)CC(=O)c1ccncn1 69638927 572129521 /nfs/dbraw/zinc/12/95/21/572129521.db2.gz WXHXPSLXZAJAKZ-QMMMGPOBSA-N 0 0 178.235 2.096 10 0 AEAERN CC(C)(C)CCC(=O)c1ccncn1 69638879 572129569 /nfs/dbraw/zinc/12/95/69/572129569.db2.gz JZLUFMBDLVRGLY-UHFFFAOYSA-N 0 0 192.262 2.486 10 0 AEAERN CCc1ccc(CC(=N)OC)cc1 71497288 572129573 /nfs/dbraw/zinc/12/95/73/572129573.db2.gz UMAPLWQYOOYCHG-UHFFFAOYSA-N 0 0 177.247 2.415 10 0 AEAERN COC[C@@H](O)C1C[C@@H](C)C[C@@H](C)C1 82833338 572129611 /nfs/dbraw/zinc/12/96/11/572129611.db2.gz BMZUFRLPNKOBIE-KJLIAQIISA-N 0 0 186.295 2.066 10 0 AEAERN CC[C@@H](C[C@H](C)CC(C)C)NN 300950921 572129782 /nfs/dbraw/zinc/12/97/82/572129782.db2.gz PRUBBHQGFDHKLP-ZJUUUORDSA-N 0 0 172.316 2.301 10 0 AEAERN CC[C@@H](C[C@@H](C)CC(C)C)NN 300950918 572129836 /nfs/dbraw/zinc/12/98/36/572129836.db2.gz PRUBBHQGFDHKLP-UWVGGRQHSA-N 0 0 172.316 2.301 10 0 AEAERN CC[C@@](O)(CCCC(F)F)COC 687890452 572129839 /nfs/dbraw/zinc/12/98/39/572129839.db2.gz NHQNQHISFMWHRX-SECBINFHSA-N 0 0 196.237 2.209 10 0 AEAERN CC[C@@H](C)CC(=O)c1ccncn1 69638926 572130080 /nfs/dbraw/zinc/13/00/80/572130080.db2.gz WXHXPSLXZAJAKZ-MRVPVSSYSA-N 0 0 178.235 2.096 10 0 AEAERN CC(C)CCC(=O)c1ccncn1 69638857 572130101 /nfs/dbraw/zinc/13/01/01/572130101.db2.gz PZDYQBMCIKFKLX-UHFFFAOYSA-N 0 0 178.235 2.096 10 0 AEAERN Cc1ccc([C@@H](O)c2ccccn2)cc1 37464703 572130164 /nfs/dbraw/zinc/13/01/64/572130164.db2.gz CYZSQCGJSQBXJY-CYBMUJFWSA-N 0 0 199.253 2.472 10 0 AEAERN CCCCC[C@H](O)c1ccncn1 69639092 572130221 /nfs/dbraw/zinc/13/02/21/572130221.db2.gz DKSXPQWEGNKAIS-JTQLQIEISA-N 0 0 180.251 2.090 10 0 AEAERN CCC[C@@H](C)C[C@@H](O)c1ccncn1 69639061 572130265 /nfs/dbraw/zinc/13/02/65/572130265.db2.gz XFXGABWHKVBVOO-MWLCHTKSSA-N 0 0 194.278 2.336 10 0 AEAERN CC[C@@H](O)CNc1cccc(F)c1C 43320912 572130376 /nfs/dbraw/zinc/13/03/76/572130376.db2.gz NOINLDMNRWVGBI-SECBINFHSA-N 0 0 197.253 2.317 10 0 AEAERN CC(C)C[C@H](O)Cc1ccccn1 37465387 572130435 /nfs/dbraw/zinc/13/04/35/572130435.db2.gz SZFDZRAROWAGOY-NSHDSACASA-N 0 0 179.263 2.031 10 0 AEAERN Cc1ccc(CCCCON)cc1 71497941 572130444 /nfs/dbraw/zinc/13/04/44/572130444.db2.gz SOMRPIFBEMXVDF-UHFFFAOYSA-N 0 0 179.263 2.208 10 0 AEAERN C[C@@H]1CC(n2ccc(N)n2)C[C@H](C)C1 82832706 572130467 /nfs/dbraw/zinc/13/04/67/572130467.db2.gz YHOUHICSWLIORU-ULKQDVFKSA-N 0 0 193.294 2.463 10 0 AEAERN CCC(=O)NC1C[C@@H](C)C[C@@H](C)C1 82828918 572130623 /nfs/dbraw/zinc/13/06/23/572130623.db2.gz VOUBDFBZNKXVAO-ULKQDVFKSA-N 0 0 183.295 2.337 10 0 AEAERN Cc1ccc([C@H](O)c2ccccn2)cc1 37464701 572130643 /nfs/dbraw/zinc/13/06/43/572130643.db2.gz CYZSQCGJSQBXJY-ZDUSSCGKSA-N 0 0 199.253 2.472 10 0 AEAERN CC(C)C[C@@H](O)Cc1ccccn1 37465389 572130653 /nfs/dbraw/zinc/13/06/53/572130653.db2.gz SZFDZRAROWAGOY-LLVKDONJSA-N 0 0 179.263 2.031 10 0 AEAERN C[C@@H]1CC(C(N)=S)C[C@H](C)C1 82832694 572130762 /nfs/dbraw/zinc/13/07/62/572130762.db2.gz LBHPQUCAQRBYPT-DHBOJHSNSA-N 0 0 171.309 2.345 10 0 AEAERN C[C@@H]1CC([C@@H](C)O)C[C@H](C)C1 82833111 572130815 /nfs/dbraw/zinc/13/08/15/572130815.db2.gz VOPPFSZUSWSWSJ-WSSOQDAQSA-N 0 0 156.269 2.440 10 0 AEAERN CC(=O)COc1ccc(C)cc1C 35181826 572130941 /nfs/dbraw/zinc/13/09/41/572130941.db2.gz TUXSJVOJMLOTOZ-UHFFFAOYSA-N 0 0 178.231 2.271 10 0 AEAERN CC[C@@H](CC1CC1)Nc1ncccn1 69667517 572131166 /nfs/dbraw/zinc/13/11/66/572131166.db2.gz QWAYWHJZCQXHMW-JTQLQIEISA-N 0 0 191.278 2.467 10 0 AEAERN CC[C@H](CC1CC1)Nc1cnccn1 69667496 572131076 /nfs/dbraw/zinc/13/10/76/572131076.db2.gz CVPDVTOLIBZRQT-SNVBAGLBSA-N 0 0 191.278 2.467 10 0 AEAERN CC[C@](O)(CCCC(F)F)COC 687890458 572131081 /nfs/dbraw/zinc/13/10/81/572131081.db2.gz NHQNQHISFMWHRX-VIFPVBQESA-N 0 0 196.237 2.209 10 0 AEAERN CC[C@H](CC1CC1)Nc1ncccn1 69667519 572131322 /nfs/dbraw/zinc/13/13/22/572131322.db2.gz QWAYWHJZCQXHMW-SNVBAGLBSA-N 0 0 191.278 2.467 10 0 AEAERN Cc1ccc(/C=C/CCON)cc1 71497318 572131363 /nfs/dbraw/zinc/13/13/63/572131363.db2.gz DPMQYKYKZHGAGR-DUXPYHPUSA-N 0 0 177.247 2.289 10 0 AEAERN C[C@@H]1CC(n2nccc2N)C[C@H](C)C1 82830697 572131522 /nfs/dbraw/zinc/13/15/22/572131522.db2.gz KHVOQQGWSNBVDA-ULKQDVFKSA-N 0 0 193.294 2.463 10 0 AEAERN Cc1cccc([C@@H](O)c2ccccn2)c1 37464691 572131546 /nfs/dbraw/zinc/13/15/46/572131546.db2.gz KQSWSKLRVVLTOI-CYBMUJFWSA-N 0 0 199.253 2.472 10 0 AEAERN C[C@@H]1CC(n2cc(N)cn2)C[C@H](C)C1 82832700 572131593 /nfs/dbraw/zinc/13/15/93/572131593.db2.gz AXFWXNPBRFZCNB-SLHIUPAKSA-N 0 0 193.294 2.463 10 0 AEAERN C[C@@H]1CC(NC(=O)C2CC2)C[C@H](C)C1 82828921 572131596 /nfs/dbraw/zinc/13/15/96/572131596.db2.gz YWDMJDNNYKGCPV-SLHIUPAKSA-N 0 0 195.306 2.337 10 0 AEAERN Cc1cccc([C@H](O)c2ccccn2)c1 37464689 572131654 /nfs/dbraw/zinc/13/16/54/572131654.db2.gz KQSWSKLRVVLTOI-ZDUSSCGKSA-N 0 0 199.253 2.472 10 0 AEAERN CC[C@H](CC1CC1)Nc1cccnn1 69667474 572131928 /nfs/dbraw/zinc/13/19/28/572131928.db2.gz CGAQNALOIMFCHW-SNVBAGLBSA-N 0 0 191.278 2.467 10 0 AEAERN C[C@H]1CC[C@H](n2nccc2N)C[C@@H]1C 82837742 572131966 /nfs/dbraw/zinc/13/19/66/572131966.db2.gz OCTROJOCIMUEHG-GUBZILKMSA-N 0 0 193.294 2.463 10 0 AEAERN C[C@H]1CC(OCCCO)C[C@H](C)C1 82834540 572132328 /nfs/dbraw/zinc/13/23/28/572132328.db2.gz SYLLHGMVMSBHKA-NXEZZACHSA-N 0 0 186.295 2.210 10 0 AEAERN CN(Cl)Cc1ccccc1 81145082 572132467 /nfs/dbraw/zinc/13/24/67/572132467.db2.gz OOFMUZPRQRQMQF-UHFFFAOYSA-N 0 0 155.628 2.272 10 0 AEAERN CC[C@@H](CC1CC1)Nc1ccncn1 69667634 572132618 /nfs/dbraw/zinc/13/26/18/572132618.db2.gz SBJMAPPLEPTIGQ-JTQLQIEISA-N 0 0 191.278 2.467 10 0 AEAERN CC[C@H](CC1CC1)Nc1ccncn1 69667638 572132728 /nfs/dbraw/zinc/13/27/28/572132728.db2.gz SBJMAPPLEPTIGQ-SNVBAGLBSA-N 0 0 191.278 2.467 10 0 AEAERN C[C@@H]1CC(n2cncn2)C[C@H](C)C1 82833889 572132752 /nfs/dbraw/zinc/13/27/52/572132752.db2.gz YBKMUHZZUQITFK-ULKQDVFKSA-N 0 0 179.267 2.275 10 0 AEAERN CC(=O)COC1C[C@@H](C)C[C@@H](C)C1 82834505 572132779 /nfs/dbraw/zinc/13/27/79/572132779.db2.gz XFGDQFFGHHNGMQ-SLHIUPAKSA-N 0 0 184.279 2.417 10 0 AEAERN C[C@H]1CC[C@@H](n2nccc2N)C[C@@H]1C 82837745 572132835 /nfs/dbraw/zinc/13/28/35/572132835.db2.gz OCTROJOCIMUEHG-LPEHRKFASA-N 0 0 193.294 2.463 10 0 AEAERN CC[C@H](O)COC[C@@H]1CC=CC[C@H]1C 402317007 572132856 /nfs/dbraw/zinc/13/28/56/572132856.db2.gz QPPRTFUXQABIKO-WOPDTQHZSA-N 0 0 198.306 2.376 10 0 AEAERN Cc1cc(C)nc(-c2ccccc2N)n1 71491509 572132889 /nfs/dbraw/zinc/13/28/89/572132889.db2.gz VPNFEWWCJYVJMN-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1cc(-c2ccccc2N)nc(C)n1 71491465 572132916 /nfs/dbraw/zinc/13/29/16/572132916.db2.gz QTTGUCLIQPGGQG-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CC[C@H](O)COC[C@H]1CC=CC[C@H]1C 402317005 572133142 /nfs/dbraw/zinc/13/31/42/572133142.db2.gz QPPRTFUXQABIKO-UTUOFQBUSA-N 0 0 198.306 2.376 10 0 AEAERN CC[C@H](CC1CC1)[NH2+][C@H](C)CC(=O)[O-] 69673181 572133222 /nfs/dbraw/zinc/13/32/22/572133222.db2.gz CKUFYGZLCMWQSM-PSASIEDQSA-N 0 0 199.294 2.018 10 0 AEAERN CC[C@H](O)COC[C@@H]1CC=CC[C@@H]1C 402316999 572133379 /nfs/dbraw/zinc/13/33/79/572133379.db2.gz QPPRTFUXQABIKO-SRVKXCTJSA-N 0 0 198.306 2.376 10 0 AEAERN C[C@@H]1CC(OC[C@@H](C)O)C[C@H](C)C1 82834535 572133406 /nfs/dbraw/zinc/13/34/06/572133406.db2.gz ZGYGSNPALUEIGX-GZBOUJLJSA-N 0 0 186.295 2.209 10 0 AEAERN Cc1cc(-c2ccc(N)cc2)nc(C)n1 71491469 572133558 /nfs/dbraw/zinc/13/35/58/572133558.db2.gz IENOVFHCMYJZEP-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN C=CC(=O)NC1C[C@@H](C)C[C@@H](C)C1 82835199 572133594 /nfs/dbraw/zinc/13/35/94/572133594.db2.gz YGMMJRPELKDNEB-ULKQDVFKSA-N 0 0 181.279 2.113 10 0 AEAERN C[C@H](O)[C@@H](C)OC[C@H]1CC=CC[C@H]1C 402313107 572133623 /nfs/dbraw/zinc/13/36/23/572133623.db2.gz PXFISGDFODTUSL-WRWGMCAJSA-N 0 0 198.306 2.375 10 0 AEAERN CCC[C@@H](C)[C@H](O)C1(O)CCCC1 300349868 572133733 /nfs/dbraw/zinc/13/37/33/572133733.db2.gz SKICPUOKCVARGG-ZJUUUORDSA-N 0 0 186.295 2.089 10 0 AEAERN CCC[C@@H](C)[C@@](C)(O)COCC 300350017 572133777 /nfs/dbraw/zinc/13/37/77/572133777.db2.gz STZFNSVVSBCDIV-ZJUUUORDSA-N 0 0 174.284 2.210 10 0 AEAERN CCC[C@@H](C)[C@H](O)C(O)(CC)CC 300350219 572133841 /nfs/dbraw/zinc/13/38/41/572133841.db2.gz UJZQZTSIKNVINW-ZJUUUORDSA-N 0 0 188.311 2.335 10 0 AEAERN CC[C@H](CC1CC1)[NH2+][C@@H](C)CC(=O)[O-] 69673173 572133896 /nfs/dbraw/zinc/13/38/96/572133896.db2.gz CKUFYGZLCMWQSM-WCBMZHEXSA-N 0 0 199.294 2.018 10 0 AEAERN C[C@@H]1CC(N2CCC(=O)C2)C[C@H](C)C1 82835146 572133901 /nfs/dbraw/zinc/13/39/01/572133901.db2.gz UUWLPZIIDDHDAD-ZACCUICWSA-N 0 0 195.306 2.086 10 0 AEAERN CCC[C@H](C)[C@H](O)[C@H](O)C(C)(C)C 300349894 572133915 /nfs/dbraw/zinc/13/39/15/572133915.db2.gz SOHLFJSXGNLCNY-GUBZILKMSA-N 0 0 188.311 2.191 10 0 AEAERN CC[C@@H](CC1CC1)[NH2+]CCCC(=O)[O-] 69673400 572134024 /nfs/dbraw/zinc/13/40/24/572134024.db2.gz ZOXCQQKZAFRYIX-JTQLQIEISA-N 0 0 199.294 2.020 10 0 AEAERN CC[C@@H](CC1CC1)[NH2+][C@@H](C)CC(=O)[O-] 69673171 572134086 /nfs/dbraw/zinc/13/40/86/572134086.db2.gz CKUFYGZLCMWQSM-WPRPVWTQSA-N 0 0 199.294 2.018 10 0 AEAERN CC[C@@H](CC1CC1)[NH2+][C@H](C)CC(=O)[O-] 69673178 572134287 /nfs/dbraw/zinc/13/42/87/572134287.db2.gz CKUFYGZLCMWQSM-SCZZXKLOSA-N 0 0 199.294 2.018 10 0 AEAERN Cc1cc(-c2cccc(N)c2)nc(C)n1 71491468 572134314 /nfs/dbraw/zinc/13/43/14/572134314.db2.gz CCMMAOIGOOLIIE-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CN[C@@H](C)c1nnc([C@H](C)C(C)C)o1 69691265 572136634 /nfs/dbraw/zinc/13/66/34/572136634.db2.gz DCLNTEHSVVVVHH-SFYZADRCSA-N 0 0 197.282 2.110 10 0 AEAERN CCC[C@H](C)[C@H](O)[C@H](CC)OC 300350247 572134620 /nfs/dbraw/zinc/13/46/20/572134620.db2.gz UONQIABXCMYGOF-GUBZILKMSA-N 0 0 174.284 2.209 10 0 AEAERN CCC[C@H](C)[C@@H](O)[C@H](O)C(C)(C)C 300349893 572134679 /nfs/dbraw/zinc/13/46/79/572134679.db2.gz SOHLFJSXGNLCNY-AEJSXWLSSA-N 0 0 188.311 2.191 10 0 AEAERN CCCN(CCC)[S@@](=O)C(C)C 687787365 572134707 /nfs/dbraw/zinc/13/47/07/572134707.db2.gz BUXXKGMIHPUFNZ-LBPRGKRZSA-N 0 0 191.340 2.181 10 0 AEAERN CCC(C)(C)CN[S@](=O)C(C)C 687787280 572134937 /nfs/dbraw/zinc/13/49/37/572134937.db2.gz SDCOHWMNVLQPFT-GFCCVEGCSA-N 0 0 191.340 2.084 10 0 AEAERN CCC(C)(CC)N[S@](=O)C(C)C 687787306 572134988 /nfs/dbraw/zinc/13/49/88/572134988.db2.gz UAMVVADESFQGAO-GFCCVEGCSA-N 0 0 191.340 2.227 10 0 AEAERN CC[C@@H](N)c1nnc([C@@H](C)C(C)C)o1 69691323 572135223 /nfs/dbraw/zinc/13/52/23/572135223.db2.gz IYLUOXZZQAPABB-JGVFFNPUSA-N 0 0 197.282 2.239 10 0 AEAERN CCC(C)(C)CN[S@@](=O)C(C)C 687787281 572135240 /nfs/dbraw/zinc/13/52/40/572135240.db2.gz SDCOHWMNVLQPFT-LBPRGKRZSA-N 0 0 191.340 2.084 10 0 AEAERN CCC(C)(CC)N[S@@](=O)C(C)C 687787307 572135244 /nfs/dbraw/zinc/13/52/44/572135244.db2.gz UAMVVADESFQGAO-LBPRGKRZSA-N 0 0 191.340 2.227 10 0 AEAERN CCC(CC)CNc1cnnn1CC 300953993 572135367 /nfs/dbraw/zinc/13/53/67/572135367.db2.gz ONTCQDGXOZHIJJ-UHFFFAOYSA-N 0 0 196.298 2.146 10 0 AEAERN CN[C@H](C)c1nnc([C@@H](C)C(C)C)o1 69691264 572135502 /nfs/dbraw/zinc/13/55/02/572135502.db2.gz DCLNTEHSVVVVHH-JGVFFNPUSA-N 0 0 197.282 2.110 10 0 AEAERN CC[C@H](O)C(=O)c1sccc1C 234060361 572135702 /nfs/dbraw/zinc/13/57/02/572135702.db2.gz CNEQOOSETFXVAH-ZETCQYMHSA-N 0 0 184.260 2.010 10 0 AEAERN CCC[C@@H](C)[C@@](O)(CC)COC 300350622 572135739 /nfs/dbraw/zinc/13/57/39/572135739.db2.gz XAUHTXHEQBVGMS-NXEZZACHSA-N 0 0 174.284 2.210 10 0 AEAERN CCC[C@H](C)[C@](C)(O)[C@H]1CCOC1 300350642 572136017 /nfs/dbraw/zinc/13/60/17/572136017.db2.gz XETVELVWBMXPMG-DCAQKATOSA-N 0 0 186.295 2.210 10 0 AEAERN CC[C@H](N)c1nnc([C@H](C)C(C)C)o1 69691325 572136098 /nfs/dbraw/zinc/13/60/98/572136098.db2.gz IYLUOXZZQAPABB-SFYZADRCSA-N 0 0 197.282 2.239 10 0 AEAERN CN[C@@H](C)c1nnc([C@@H](C)C(C)C)o1 69691268 572136106 /nfs/dbraw/zinc/13/61/06/572136106.db2.gz DCLNTEHSVVVVHH-YUMQZZPRSA-N 0 0 197.282 2.110 10 0 AEAERN CCC[C@H](C)[NH2+][C@H]1CCC[C@H]1C(=O)[O-] 300350928 572136146 /nfs/dbraw/zinc/13/61/46/572136146.db2.gz YZNILEKTHJCKCX-AEJSXWLSSA-N 0 0 199.294 2.018 10 0 AEAERN CCC[C@H](C)[C@]1(CO)CCO[C@H]1C 300350967 572136200 /nfs/dbraw/zinc/13/62/00/572136200.db2.gz ZFUSVAKFXNCRSJ-GARJFASQSA-N 0 0 186.295 2.210 10 0 AEAERN CCC[C@H](CC)[N@@H+]1CCC[C@H]1C(=O)[O-] 300352143 572136285 /nfs/dbraw/zinc/13/62/85/572136285.db2.gz ILLUXRDNRVYLAU-UWVGGRQHSA-N 0 0 199.294 2.114 10 0 AEAERN CC[C@H](N)c1nnc([C@@H](C)C(C)C)o1 69691319 572136319 /nfs/dbraw/zinc/13/63/19/572136319.db2.gz IYLUOXZZQAPABB-YUMQZZPRSA-N 0 0 197.282 2.239 10 0 AEAERN CCCC[C@@](C)(O)c1cccnc1 300352106 572136357 /nfs/dbraw/zinc/13/63/57/572136357.db2.gz HYZKBVQMENYVMK-LLVKDONJSA-N 0 0 179.263 2.479 10 0 AEAERN CCC[C@H](C)[C@H](O)[C@@H]1OCC[C@H]1C 300351025 572136397 /nfs/dbraw/zinc/13/63/97/572136397.db2.gz ZRRRMNMQQCNEHQ-ZRUFSTJUSA-N 0 0 186.295 2.209 10 0 AEAERN CCC[C@H](C)[C@@H]1CCC[C@H](C(=O)[O-])[NH2+]1 300350790 572136683 /nfs/dbraw/zinc/13/66/83/572136683.db2.gz YBABSXPZFBTYEG-LPEHRKFASA-N 0 0 199.294 2.018 10 0 AEAERN CC[C@@H](N)c1nnc([C@H](C)C(C)C)o1 69691327 572136692 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CCC[C@H]([NH2+][C@H]1C[C@H]1CCC)C(=O)[O-] 300383708 572148271 /nfs/dbraw/zinc/14/82/71/572148271.db2.gz LQPGRODCEVCQTJ-UTLUCORTSA-N 0 0 199.294 2.018 10 0 AEAERN C[C@H]1Cn2cccc2[C@@H]1C 18292523 572148434 /nfs/dbraw/zinc/14/84/34/572148434.db2.gz LPBBSTYIOVFJOE-JGVFFNPUSA-N 0 0 135.210 2.241 10 0 AEAERN Cc1cc(/C=C/CCON)ccc1F 71507050 572149269 /nfs/dbraw/zinc/14/92/69/572149269.db2.gz NAZZMMDNWGZLRN-DUXPYHPUSA-N 0 0 195.237 2.428 10 0 AEAERN CCC[C@@H](C)[C@@H](O)c1cccnc1N 69844363 572148569 /nfs/dbraw/zinc/14/85/69/572148569.db2.gz JIOCYRLPXLBVOV-PSASIEDQSA-N 0 0 194.278 2.133 10 0 AEAERN CC[C@H](C)[C@H](O)[C@@H]1CCO[C@H]1CC 300384266 572148712 /nfs/dbraw/zinc/14/87/12/572148712.db2.gz PWTRQSSMIYORGV-VLEAKVRGSA-N 0 0 186.295 2.209 10 0 AEAERN CCC[C@H]([NH2+][C@@H]1C[C@H]1CCC)C(=O)[O-] 300383707 572148739 /nfs/dbraw/zinc/14/87/39/572148739.db2.gz LQPGRODCEVCQTJ-KXUCPTDWSA-N 0 0 199.294 2.018 10 0 AEAERN CC(C)CC[C@H](O)c1c[nH+]ccc1N 69844780 572149277 /nfs/dbraw/zinc/14/92/77/572149277.db2.gz OKZFJWXPDQGSSS-NSHDSACASA-N 0 0 194.278 2.133 10 0 AEAERN CC[C@H](O)[C@@H](O)CCCC(C)(C)C 300957765 572149282 /nfs/dbraw/zinc/14/92/82/572149282.db2.gz YBZRKKHEEJKIJP-UWVGGRQHSA-N 0 0 188.311 2.335 10 0 AEAERN CC(C)CCC(=O)c1cccnc1N 69844624 572149001 /nfs/dbraw/zinc/14/90/01/572149001.db2.gz VBVIODPEXYWPRW-UHFFFAOYSA-N 0 0 192.262 2.283 10 0 AEAERN CCC[C@H](C)[C@@H](O)c1cccnc1N 69844364 572149081 /nfs/dbraw/zinc/14/90/81/572149081.db2.gz JIOCYRLPXLBVOV-WCBMZHEXSA-N 0 0 194.278 2.133 10 0 AEAERN CC[C@@H](O)[C@@H](O)CCCC(C)(C)C 300957769 572149095 /nfs/dbraw/zinc/14/90/95/572149095.db2.gz YBZRKKHEEJKIJP-ZJUUUORDSA-N 0 0 188.311 2.335 10 0 AEAERN CCCN(C(C)C)[S@](=O)C(C)C 687787800 572149193 /nfs/dbraw/zinc/14/91/93/572149193.db2.gz LLHDVIRIAGMXNY-GFCCVEGCSA-N 0 0 191.340 2.179 10 0 AEAERN CCCCC[C@@H](O)c1cccnc1N 69844417 572149195 /nfs/dbraw/zinc/14/91/95/572149195.db2.gz GLCMICHGGPHPFD-SNVBAGLBSA-N 0 0 194.278 2.278 10 0 AEAERN CCC[C@H](C)[C@H](O)c1cccnc1N 69844362 572149126 /nfs/dbraw/zinc/14/91/26/572149126.db2.gz JIOCYRLPXLBVOV-WPRPVWTQSA-N 0 0 194.278 2.133 10 0 AEAERN C[C@H]1C[C@H](OCCCO)CC[C@H]1C 82841072 572149176 /nfs/dbraw/zinc/14/91/76/572149176.db2.gz VTNHOGWPASJYFD-OUAUKWLOSA-N 0 0 186.295 2.210 10 0 AEAERN CC[C@H](C)[C@H](O)[C@H]1CCO[C@@H]1CC 300384263 572149361 /nfs/dbraw/zinc/14/93/61/572149361.db2.gz PWTRQSSMIYORGV-MMWGEVLESA-N 0 0 186.295 2.209 10 0 AEAERN C[C@@H]1c2cccn2C[C@@H]1C 18292525 572149438 /nfs/dbraw/zinc/14/94/38/572149438.db2.gz LPBBSTYIOVFJOE-YUMQZZPRSA-N 0 0 135.210 2.241 10 0 AEAERN C[C@@H]1Cn2cccc2[C@@H]1C 18292522 572149470 /nfs/dbraw/zinc/14/94/70/572149470.db2.gz LPBBSTYIOVFJOE-HTQZYQBOSA-N 0 0 135.210 2.241 10 0 AEAERN C[C@H]1CC[C@@H](OCCCO)C[C@@H]1C 82841075 572149534 /nfs/dbraw/zinc/14/95/34/572149534.db2.gz VTNHOGWPASJYFD-GARJFASQSA-N 0 0 186.295 2.210 10 0 AEAERN CCCCOCCc1cccnc1N 69841426 572149591 /nfs/dbraw/zinc/14/95/91/572149591.db2.gz MQRJEDKRPJIOGO-UHFFFAOYSA-N 0 0 194.278 2.023 10 0 AEAERN CCCN(C(C)C)[S@@](=O)C(C)C 687787802 572149624 /nfs/dbraw/zinc/14/96/24/572149624.db2.gz LLHDVIRIAGMXNY-LBPRGKRZSA-N 0 0 191.340 2.179 10 0 AEAERN CCC(CC)[C@H](O)c1cccnc1N 69843570 572149689 /nfs/dbraw/zinc/14/96/89/572149689.db2.gz VCKPXZLRJONUHO-JTQLQIEISA-N 0 0 194.278 2.133 10 0 AEAERN CC[C@H](O)[C@H](O)CCCC(C)(C)C 300957768 572149747 /nfs/dbraw/zinc/14/97/47/572149747.db2.gz YBZRKKHEEJKIJP-VHSXEESVSA-N 0 0 188.311 2.335 10 0 AEAERN CCCCC[C@H](O)c1cccnc1N 69844415 572149959 /nfs/dbraw/zinc/14/99/59/572149959.db2.gz GLCMICHGGPHPFD-JTQLQIEISA-N 0 0 194.278 2.278 10 0 AEAERN CCC[C@@H](C)[C@H](O)c1cccnc1N 69844361 572149927 /nfs/dbraw/zinc/14/99/27/572149927.db2.gz JIOCYRLPXLBVOV-SCZZXKLOSA-N 0 0 194.278 2.133 10 0 AEAERN CC[C@](C)(O)[C@@H]1CCC[C@H](OC)C1 686326794 572150057 /nfs/dbraw/zinc/15/00/57/572150057.db2.gz PDNMCELYNAUZHX-VWYCJHECSA-N 0 0 186.295 2.353 10 0 AEAERN CC[C@@H]1OCC[C@@H]1[C@H](O)CCC1CC1 300386467 572150101 /nfs/dbraw/zinc/15/01/01/572150101.db2.gz RODIQTAIYLDUNU-UTUOFQBUSA-N 0 0 198.306 2.353 10 0 AEAERN CCCCCc1cccnc1N 69841336 572150167 /nfs/dbraw/zinc/15/01/67/572150167.db2.gz ZGLOYRABIUEIDS-UHFFFAOYSA-N 0 0 164.252 2.397 10 0 AEAERN CC[C@@H]1OCC[C@@H]1[C@@H](O)CCC1CC1 300386470 572150284 /nfs/dbraw/zinc/15/02/84/572150284.db2.gz RODIQTAIYLDUNU-WOPDTQHZSA-N 0 0 198.306 2.353 10 0 AEAERN CCC(CC)[C@@H](O)c1cccnc1N 69843571 572150338 /nfs/dbraw/zinc/15/03/38/572150338.db2.gz VCKPXZLRJONUHO-SNVBAGLBSA-N 0 0 194.278 2.133 10 0 AEAERN CC[C@](C)(O)[C@H]1CCC[C@@H](OC)C1 686326789 572150515 /nfs/dbraw/zinc/15/05/15/572150515.db2.gz PDNMCELYNAUZHX-AXFHLTTASA-N 0 0 186.295 2.353 10 0 AEAERN CC(=O)CO[C@H]1CC[C@@H](C)[C@@H](C)C1 82840961 572150670 /nfs/dbraw/zinc/15/06/70/572150670.db2.gz ZIUDTYNLPOCRNH-YWVKMMECSA-N 0 0 184.279 2.417 10 0 AEAERN CCC[C@@](C)(O)C(F)(F)F 43367936 572152094 /nfs/dbraw/zinc/15/20/94/572152094.db2.gz WZVNNQRNOIMLJS-RXMQYKEDSA-N 0 0 156.147 2.100 10 0 AEAERN CCCCC[C@H]1CC(=O)CCO1 69850983 572151033 /nfs/dbraw/zinc/15/10/33/572151033.db2.gz FJOUCLXTCWFRQZ-JTQLQIEISA-N 0 0 170.252 2.315 10 0 AEAERN CCCCCC[C@H]1C[C@@H](O)CCO1 69850584 572151170 /nfs/dbraw/zinc/15/11/70/572151170.db2.gz IESUBAXERXVKAN-QWRGUYRKSA-N 0 0 186.295 2.497 10 0 AEAERN CCCCC[C@@H]1C[C@@H](O)CCO1 69850693 572151312 /nfs/dbraw/zinc/15/13/12/572151312.db2.gz SPBQBYVKICUPLC-VHSXEESVSA-N 0 0 172.268 2.107 10 0 AEAERN CCCC1(CCC)C[C@@H](O)CCO1 69852581 572151351 /nfs/dbraw/zinc/15/13/51/572151351.db2.gz BFXKFUKLMRDGQJ-JTQLQIEISA-N 0 0 186.295 2.497 10 0 AEAERN CCCCC[C@@H]1C[C@H](O)CCO1 69850691 572151359 /nfs/dbraw/zinc/15/13/59/572151359.db2.gz SPBQBYVKICUPLC-NXEZZACHSA-N 0 0 172.268 2.107 10 0 AEAERN CCC(C)(C)N(C)[S@@](=O)C(C)C 687787875 572151376 /nfs/dbraw/zinc/15/13/76/572151376.db2.gz NIOOZPFJACKDOC-LBPRGKRZSA-N 0 0 191.340 2.179 10 0 AEAERN C[C@H]1C[C@@H](OCCCO)CC[C@H]1C 82841068 572151438 /nfs/dbraw/zinc/15/14/38/572151438.db2.gz VTNHOGWPASJYFD-VWYCJHECSA-N 0 0 186.295 2.210 10 0 AEAERN C[C@H]1CC[C@H](OCCCO)C[C@@H]1C 82841070 572151506 /nfs/dbraw/zinc/15/15/06/572151506.db2.gz VTNHOGWPASJYFD-DCAQKATOSA-N 0 0 186.295 2.210 10 0 AEAERN C[C@@H]1CN[C@@H](c2ccco2)C1(F)F 35300458 572151634 /nfs/dbraw/zinc/15/16/34/572151634.db2.gz ADVQKUAPCOVICG-SVRRBLITSA-N 0 0 187.189 2.195 10 0 AEAERN CC(=O)CO[C@H]1CC[C@H](C)[C@@H](C)C1 82840967 572151635 /nfs/dbraw/zinc/15/16/35/572151635.db2.gz ZIUDTYNLPOCRNH-QXEWZRGKSA-N 0 0 184.279 2.417 10 0 AEAERN CCCCCC[C@@H]1C[C@H](O)CCO1 69850581 572151647 /nfs/dbraw/zinc/15/16/47/572151647.db2.gz IESUBAXERXVKAN-GHMZBOCLSA-N 0 0 186.295 2.497 10 0 AEAERN CCC(C)(C)N(C)[S@](=O)C(C)C 687787874 572151672 /nfs/dbraw/zinc/15/16/72/572151672.db2.gz NIOOZPFJACKDOC-GFCCVEGCSA-N 0 0 191.340 2.179 10 0 AEAERN CCCC[C@@]1(CC)C[C@@H](O)CCO1 69852755 572151675 /nfs/dbraw/zinc/15/16/75/572151675.db2.gz NFGFRKXCIWOKSX-QWRGUYRKSA-N 0 0 186.295 2.497 10 0 AEAERN CC[C@](C)(O)[C@H]1CCC[C@H](OC)C1 686326792 572151729 /nfs/dbraw/zinc/15/17/29/572151729.db2.gz PDNMCELYNAUZHX-DCAQKATOSA-N 0 0 186.295 2.353 10 0 AEAERN CCCCC[C@@H]1CC(=O)CCO1 69850981 572151757 /nfs/dbraw/zinc/15/17/57/572151757.db2.gz FJOUCLXTCWFRQZ-SNVBAGLBSA-N 0 0 170.252 2.315 10 0 AEAERN CCCC1(CCC)C[C@H](O)CCO1 69852579 572151887 /nfs/dbraw/zinc/15/18/87/572151887.db2.gz BFXKFUKLMRDGQJ-SNVBAGLBSA-N 0 0 186.295 2.497 10 0 AEAERN CCCC[C@]1(CC)C[C@@H](O)CCO1 69852752 572151927 /nfs/dbraw/zinc/15/19/27/572151927.db2.gz NFGFRKXCIWOKSX-WDEREUQCSA-N 0 0 186.295 2.497 10 0 AEAERN C[C@H]1CC[C@@H](NC(=O)C2CC2)C[C@@H]1C 82848174 572151984 /nfs/dbraw/zinc/15/19/84/572151984.db2.gz UPBZJBCQQYCELW-ATZCPNFKSA-N 0 0 195.306 2.337 10 0 AEAERN CCCCCC[C@H]1C[C@H](O)CCO1 69850582 572152036 /nfs/dbraw/zinc/15/20/36/572152036.db2.gz IESUBAXERXVKAN-MNOVXSKESA-N 0 0 186.295 2.497 10 0 AEAERN C[C@H]1CC[C@H](n2ccc(N)n2)C[C@@H]1C 82841838 572152211 /nfs/dbraw/zinc/15/22/11/572152211.db2.gz AHPZLXLWWSKWIJ-GUBZILKMSA-N 0 0 193.294 2.463 10 0 AEAERN CCCCCC[C@@H]1C[C@@H](O)CCO1 69850583 572152147 /nfs/dbraw/zinc/15/21/47/572152147.db2.gz IESUBAXERXVKAN-WDEREUQCSA-N 0 0 186.295 2.497 10 0 AEAERN CC[C@](C)(O)[C@@H]1CCC[C@@H](OC)C1 686326793 572152177 /nfs/dbraw/zinc/15/21/77/572152177.db2.gz PDNMCELYNAUZHX-MXWKQRLJSA-N 0 0 186.295 2.353 10 0 AEAERN Cc1occc(=O)c1-c1ccco1 35299589 572152397 /nfs/dbraw/zinc/15/23/97/572152397.db2.gz ZECJWMAKTBJTAP-UHFFFAOYSA-N 0 0 176.171 2.208 10 0 AEAERN CCC1CCC([C@@H](O)COC)CC1 82849288 572152537 /nfs/dbraw/zinc/15/25/37/572152537.db2.gz VQNSZFSMFFQRNV-ILDUYXDCSA-N 0 0 186.295 2.210 10 0 AEAERN C[C@H]1CC[C@@H](CO)C[C@@H]1C 82842901 572152627 /nfs/dbraw/zinc/15/26/27/572152627.db2.gz JBEUJBUQQDEQNV-XHNCKOQMSA-N 0 0 142.242 2.051 10 0 AEAERN COCC(=O)[C@H]1CC[C@H](C)[C@@H](C)C1 82843253 572152663 /nfs/dbraw/zinc/15/26/63/572152663.db2.gz KQSGKSKYUXUBAY-GUBZILKMSA-N 0 0 184.279 2.274 10 0 AEAERN COCC(=O)[C@H]1CC[C@@H](C)[C@@H](C)C1 82843252 572152683 /nfs/dbraw/zinc/15/26/83/572152683.db2.gz KQSGKSKYUXUBAY-UTLUCORTSA-N 0 0 184.279 2.274 10 0 AEAERN C[C@@H]1CCC[C@](O)(C(F)(F)F)C1 43367820 572152611 /nfs/dbraw/zinc/15/26/11/572152611.db2.gz LRDQXYCIZJDNET-RNFRBKRXSA-N 0 0 182.185 2.490 10 0 AEAERN C[C@H]1CC[C@H](CCO)C[C@@H]1C 82844478 572152791 /nfs/dbraw/zinc/15/27/91/572152791.db2.gz OWXGKOKRJPGOHB-LPEHRKFASA-N 0 0 156.269 2.441 10 0 AEAERN CCCCC[C@H]1C[C@@H](O)CCO1 69850694 572152810 /nfs/dbraw/zinc/15/28/10/572152810.db2.gz SPBQBYVKICUPLC-UWVGGRQHSA-N 0 0 172.268 2.107 10 0 AEAERN C[C@H]1CCC[C@](O)(C(F)(F)F)C1 43367821 572152811 /nfs/dbraw/zinc/15/28/11/572152811.db2.gz LRDQXYCIZJDNET-NKWVEPMBSA-N 0 0 182.185 2.490 10 0 AEAERN C[C@H]1CC[C@H](n2cc(N)cn2)C[C@@H]1C 82841822 572152827 /nfs/dbraw/zinc/15/28/27/572152827.db2.gz UKZWKNKZMZOXTB-QXEWZRGKSA-N 0 0 193.294 2.463 10 0 AEAERN CCCCC[C@H]1C[C@H](O)CCO1 69850692 572152832 /nfs/dbraw/zinc/15/28/32/572152832.db2.gz SPBQBYVKICUPLC-ZJUUUORDSA-N 0 0 172.268 2.107 10 0 AEAERN CCCC[C@@]1(CC)C[C@H](O)CCO1 69852750 572152844 /nfs/dbraw/zinc/15/28/44/572152844.db2.gz NFGFRKXCIWOKSX-MNOVXSKESA-N 0 0 186.295 2.497 10 0 AEAERN C[C@H]1CC[C@@H](n2cncn2)C[C@@H]1C 82844885 572152920 /nfs/dbraw/zinc/15/29/20/572152920.db2.gz XACAVNBBTDTZTF-LPEHRKFASA-N 0 0 179.267 2.275 10 0 AEAERN CC[C@@H]1OCC[C@H]1[C@H](O)CCC1CC1 300386464 572152966 /nfs/dbraw/zinc/15/29/66/572152966.db2.gz RODIQTAIYLDUNU-TUAOUCFPSA-N 0 0 198.306 2.353 10 0 AEAERN C[C@H]1CC[C@H](NC(=O)C2CC2)C[C@@H]1C 82848172 572152970 /nfs/dbraw/zinc/15/29/70/572152970.db2.gz UPBZJBCQQYCELW-QXEWZRGKSA-N 0 0 195.306 2.337 10 0 AEAERN COC[C@H](C)[C@H](O)c1ccccc1F 69903682 572154136 /nfs/dbraw/zinc/15/41/36/572154136.db2.gz LEAOXQJZVPSTKO-KWQFWETISA-N 0 0 198.237 2.142 10 0 AEAERN CCCC[C@]1(CC)C[C@H](O)CCO1 69852747 572153004 /nfs/dbraw/zinc/15/30/04/572153004.db2.gz NFGFRKXCIWOKSX-GHMZBOCLSA-N 0 0 186.295 2.497 10 0 AEAERN CCC1CCC([C@H](O)COC)CC1 82849287 572153086 /nfs/dbraw/zinc/15/30/86/572153086.db2.gz VQNSZFSMFFQRNV-VQXHTEKXSA-N 0 0 186.295 2.210 10 0 AEAERN C[C@H]1CCC[C@@](O)(C(F)(F)F)C1 43367823 572153165 /nfs/dbraw/zinc/15/31/65/572153165.db2.gz LRDQXYCIZJDNET-BQBZGAKWSA-N 0 0 182.185 2.490 10 0 AEAERN CCC1CCC(C(=O)COC)CC1 82849229 572153182 /nfs/dbraw/zinc/15/31/82/572153182.db2.gz DIUFHDQJHNZIJV-UHFFFAOYSA-N 0 0 184.279 2.418 10 0 AEAERN CCC(CC)[C@H](O)C(F)(F)F 43367814 572153205 /nfs/dbraw/zinc/15/32/05/572153205.db2.gz ZNVXSKNYFUAYMS-LURJTMIESA-N 0 0 170.174 2.346 10 0 AEAERN CC[C@@](O)(C(C)C)C(F)(F)F 43367768 572153267 /nfs/dbraw/zinc/15/32/67/572153267.db2.gz CFANUKQKJKLVDE-ZCFIWIBFSA-N 0 0 170.174 2.346 10 0 AEAERN C[C@H]1CC[C@@H](n2ccc(N)n2)C[C@@H]1C 82841842 572153270 /nfs/dbraw/zinc/15/32/70/572153270.db2.gz AHPZLXLWWSKWIJ-LPEHRKFASA-N 0 0 193.294 2.463 10 0 AEAERN C[C@H]1C[C@@H]([C@@H](C)O)CC[C@H]1C 82842818 572153296 /nfs/dbraw/zinc/15/32/96/572153296.db2.gz WBADAEBTCOAVFR-RGOKHQFPSA-N 0 0 156.269 2.440 10 0 AEAERN COC[C@H](C)[C@@H](O)c1cccc(C)c1 69903741 572153324 /nfs/dbraw/zinc/15/33/24/572153324.db2.gz KIYLNNWSKBNKNJ-CMPLNLGQSA-N 0 0 194.274 2.311 10 0 AEAERN COC[C@H](C)[C@@H](O)c1cccs1 69903618 572153331 /nfs/dbraw/zinc/15/33/31/572153331.db2.gz DZYZZNSPARPNQF-IONNQARKSA-N 0 0 186.276 2.064 10 0 AEAERN C[C@H]1CC[C@H](C(N)=S)C[C@@H]1C 82841806 572153337 /nfs/dbraw/zinc/15/33/37/572153337.db2.gz FXFRASQZGQJQJH-FXQIFTODSA-N 0 0 171.309 2.345 10 0 AEAERN C[C@H]1C[C@H]([C@@H](C)O)CC[C@H]1C 82842822 572153363 /nfs/dbraw/zinc/15/33/63/572153363.db2.gz WBADAEBTCOAVFR-UTINFBMNSA-N 0 0 156.269 2.440 10 0 AEAERN C[C@H]1CC[C@H](CO)C[C@@H]1C 82842899 572153416 /nfs/dbraw/zinc/15/34/16/572153416.db2.gz JBEUJBUQQDEQNV-CIUDSAMLSA-N 0 0 142.242 2.051 10 0 AEAERN C[C@H]1CC[C@@H](n2cc(N)cn2)C[C@@H]1C 82841826 572153481 /nfs/dbraw/zinc/15/34/81/572153481.db2.gz UKZWKNKZMZOXTB-ATZCPNFKSA-N 0 0 193.294 2.463 10 0 AEAERN CCC[C@](C)(O)C(F)(F)F 43367935 572154173 /nfs/dbraw/zinc/15/41/73/572154173.db2.gz WZVNNQRNOIMLJS-YFKPBYRVSA-N 0 0 156.147 2.100 10 0 AEAERN COC[C@@H](C)[C@H](O)c1ccsc1 69903592 572153628 /nfs/dbraw/zinc/15/36/28/572153628.db2.gz ONIBSABMMRQRTF-APPZFPTMSA-N 0 0 186.276 2.064 10 0 AEAERN C[C@@H]1CCC[C@@](O)(C(F)(F)F)C1 43367822 572153645 /nfs/dbraw/zinc/15/36/45/572153645.db2.gz LRDQXYCIZJDNET-RQJHMYQMSA-N 0 0 182.185 2.490 10 0 AEAERN COC[C@H](C)[C@H](O)C1CCCCC1 69903756 572153768 /nfs/dbraw/zinc/15/37/68/572153768.db2.gz SHIIPNDRAWQKOT-ONGXEEELSA-N 0 0 186.295 2.210 10 0 AEAERN COC[C@H](C)[C@@H](O)c1ccc(F)cc1 69903642 572153771 /nfs/dbraw/zinc/15/37/71/572153771.db2.gz WGWWUTLMBGAWIO-GZMMTYOYSA-N 0 0 198.237 2.142 10 0 AEAERN CCC(CC)[C@H](O)[C@H](C)COC 69903733 572153804 /nfs/dbraw/zinc/15/38/04/572153804.db2.gz QBMRKYUNZDOGDX-PSASIEDQSA-N 0 0 174.284 2.066 10 0 AEAERN COC[C@@H](O)[C@H]1CC[C@@H](C)[C@@H](C)C1 82843424 572153847 /nfs/dbraw/zinc/15/38/47/572153847.db2.gz QTNVPOKWPRUJPX-VPOLOUISSA-N 0 0 186.295 2.066 10 0 AEAERN C[C@H]1CC[C@@H](C(N)=S)C[C@@H]1C 82841810 572153893 /nfs/dbraw/zinc/15/38/93/572153893.db2.gz FXFRASQZGQJQJH-BIIVOSGPSA-N 0 0 171.309 2.345 10 0 AEAERN COC[C@@H](C)[C@@H](O)c1cccs1 69903620 572153897 /nfs/dbraw/zinc/15/38/97/572153897.db2.gz DZYZZNSPARPNQF-VXNVDRBHSA-N 0 0 186.276 2.064 10 0 AEAERN COC[C@@H](O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 82843428 572153922 /nfs/dbraw/zinc/15/39/22/572153922.db2.gz QTNVPOKWPRUJPX-LMLFDSFASA-N 0 0 186.295 2.066 10 0 AEAERN CCC(CC)[C@@H](O)C(F)(F)F 43367815 572153943 /nfs/dbraw/zinc/15/39/43/572153943.db2.gz ZNVXSKNYFUAYMS-ZCFIWIBFSA-N 0 0 170.174 2.346 10 0 AEAERN COC[C@@H](C)[C@H](O)c1ccccc1C 69903739 572154072 /nfs/dbraw/zinc/15/40/72/572154072.db2.gz AVMTVGYTOSWJLU-PWSUYJOCSA-N 0 0 194.274 2.311 10 0 AEAERN C[C@H]1CC[C@@H](CCO)C[C@@H]1C 82844481 572154080 /nfs/dbraw/zinc/15/40/80/572154080.db2.gz OWXGKOKRJPGOHB-GUBZILKMSA-N 0 0 156.269 2.441 10 0 AEAERN CCC(CC)[C@@H](O)[C@@H](C)COC 69903731 572154102 /nfs/dbraw/zinc/15/41/02/572154102.db2.gz QBMRKYUNZDOGDX-WPRPVWTQSA-N 0 0 174.284 2.066 10 0 AEAERN COC[C@H](C)[C@H](O)c1ccsc1 69903590 572154106 /nfs/dbraw/zinc/15/41/06/572154106.db2.gz ONIBSABMMRQRTF-CBAPKCEASA-N 0 0 186.276 2.064 10 0 AEAERN C[C@H]1CC[C@H](n2cncn2)C[C@@H]1C 82844880 572154107 /nfs/dbraw/zinc/15/41/07/572154107.db2.gz XACAVNBBTDTZTF-GUBZILKMSA-N 0 0 179.267 2.275 10 0 AEAERN COC[C@H](C)[C@@H](O)c1cccc(F)c1 69903689 572154109 /nfs/dbraw/zinc/15/41/09/572154109.db2.gz HQWUMDRHSQKFDE-GZMMTYOYSA-N 0 0 198.237 2.142 10 0 AEAERN CCCC[C@@H](C)C(=O)c1cncnc1 300958427 572154283 /nfs/dbraw/zinc/15/42/83/572154283.db2.gz QBJGAYDLOGUCFQ-SECBINFHSA-N 0 0 192.262 2.486 10 0 AEAERN CCC[C@H]1C[C@@](O)(CCC)CCO1 69896195 572154316 /nfs/dbraw/zinc/15/43/16/572154316.db2.gz HYTGCFNHZVNLNJ-WDEREUQCSA-N 0 0 186.295 2.497 10 0 AEAERN COC[C@@H](C)[C@@H](O)c1ccccc1C 69903738 572154318 /nfs/dbraw/zinc/15/43/18/572154318.db2.gz AVMTVGYTOSWJLU-ZYHUDNBSSA-N 0 0 194.274 2.311 10 0 AEAERN COC[C@@H](C)[C@H](O)c1ccc(C)cc1 69903703 572154326 /nfs/dbraw/zinc/15/43/26/572154326.db2.gz IYGFXUXQMSNHES-PWSUYJOCSA-N 0 0 194.274 2.311 10 0 AEAERN COC[C@@H](C)[C@@H](O)c1ccc(F)cc1 69903643 572154328 /nfs/dbraw/zinc/15/43/28/572154328.db2.gz WGWWUTLMBGAWIO-LDYMZIIASA-N 0 0 198.237 2.142 10 0 AEAERN CCCCC[C@H](O)[C@H](C)COC 69904008 572154352 /nfs/dbraw/zinc/15/43/52/572154352.db2.gz DYEBTQRRDDQRKU-ZJUUUORDSA-N 0 0 174.284 2.210 10 0 AEAERN COC(=N)CCc1cccc(F)c1 71498738 572154355 /nfs/dbraw/zinc/15/43/55/572154355.db2.gz GYPNTYSFDIJIKN-UHFFFAOYSA-N 0 0 181.210 2.382 10 0 AEAERN COC[C@@H](C)[C@H](O)c1cccc(F)c1 69903687 572154357 /nfs/dbraw/zinc/15/43/57/572154357.db2.gz HQWUMDRHSQKFDE-KCJUWKMLSA-N 0 0 198.237 2.142 10 0 AEAERN COC[C@@H](C)[C@H](O)c1ccc(F)cc1 69903641 572154367 /nfs/dbraw/zinc/15/43/67/572154367.db2.gz WGWWUTLMBGAWIO-KCJUWKMLSA-N 0 0 198.237 2.142 10 0 AEAERN COC[C@@H](C)[C@@H](O)c1cccc(F)c1 69903691 572155217 /nfs/dbraw/zinc/15/52/17/572155217.db2.gz HQWUMDRHSQKFDE-LDYMZIIASA-N 0 0 198.237 2.142 10 0 AEAERN COC[C@@H](C)[C@H](O)c1cccs1 69903617 572154536 /nfs/dbraw/zinc/15/45/36/572154536.db2.gz DZYZZNSPARPNQF-APPZFPTMSA-N 0 0 186.276 2.064 10 0 AEAERN CC(C)[S@](=O)N(C)CC(C)(C)C 687787928 572154564 /nfs/dbraw/zinc/15/45/64/572154564.db2.gz PWBBLPHJGNNZIC-LBPRGKRZSA-N 0 0 191.340 2.036 10 0 AEAERN COC[C@H](C)[C@H](O)c1ccccc1C 69903736 572155339 /nfs/dbraw/zinc/15/53/39/572155339.db2.gz AVMTVGYTOSWJLU-JQWIXIFHSA-N 0 0 194.274 2.311 10 0 AEAERN COC[C@H](C)[C@H](O)c1cccs1 69903616 572155343 /nfs/dbraw/zinc/15/53/43/572155343.db2.gz DZYZZNSPARPNQF-CBAPKCEASA-N 0 0 186.276 2.064 10 0 AEAERN COC[C@H](C)[C@@H](O)c1ccccc1C 69903735 572155375 /nfs/dbraw/zinc/15/53/75/572155375.db2.gz AVMTVGYTOSWJLU-CMPLNLGQSA-N 0 0 194.274 2.311 10 0 AEAERN CCC[C@H]1C[C@](O)(CCC)CCO1 69896190 572154707 /nfs/dbraw/zinc/15/47/07/572154707.db2.gz HYTGCFNHZVNLNJ-QWRGUYRKSA-N 0 0 186.295 2.497 10 0 AEAERN COC[C@@H](C)[C@H](O)C1CCCCC1 69903758 572154719 /nfs/dbraw/zinc/15/47/19/572154719.db2.gz SHIIPNDRAWQKOT-KOLCDFICSA-N 0 0 186.295 2.210 10 0 AEAERN CCCCC[C@@H](O)[C@H](C)COC 69904009 572154800 /nfs/dbraw/zinc/15/48/00/572154800.db2.gz DYEBTQRRDDQRKU-NXEZZACHSA-N 0 0 174.284 2.210 10 0 AEAERN COC[C@@H](C)Sc1ccc(N)cc1 69902427 572154917 /nfs/dbraw/zinc/15/49/17/572154917.db2.gz BFPIZRAPDXQJCM-MRVPVSSYSA-N 0 0 197.303 2.396 10 0 AEAERN COC[C@@H](C)[C@@H](O)c1cccc(C)c1 69903744 572154949 /nfs/dbraw/zinc/15/49/49/572154949.db2.gz KIYLNNWSKBNKNJ-ZYHUDNBSSA-N 0 0 194.274 2.311 10 0 AEAERN CCC[C@@H]1C[C@@](O)(CCC)CCO1 69896193 572154953 /nfs/dbraw/zinc/15/49/53/572154953.db2.gz HYTGCFNHZVNLNJ-GHMZBOCLSA-N 0 0 186.295 2.497 10 0 AEAERN CCCCC[C@@H](O)[C@@H](C)COC 69904005 572154955 /nfs/dbraw/zinc/15/49/55/572154955.db2.gz DYEBTQRRDDQRKU-VHSXEESVSA-N 0 0 174.284 2.210 10 0 AEAERN COC[C@@H](C)[C@@H](O)c1ccccc1F 69903685 572154974 /nfs/dbraw/zinc/15/49/74/572154974.db2.gz LEAOXQJZVPSTKO-LDYMZIIASA-N 0 0 198.237 2.142 10 0 AEAERN COC[C@@H](C)[C@H](O)c1ccccc1F 69903683 572154983 /nfs/dbraw/zinc/15/49/83/572154983.db2.gz LEAOXQJZVPSTKO-KCJUWKMLSA-N 0 0 198.237 2.142 10 0 AEAERN COC[C@@H](C)Sc1ccccc1N 69902394 572155098 /nfs/dbraw/zinc/15/50/98/572155098.db2.gz MTNNLBCADLXJCN-MRVPVSSYSA-N 0 0 197.303 2.396 10 0 AEAERN CCC(CC)[C@@H](O)[C@H](C)COC 69903734 572155164 /nfs/dbraw/zinc/15/51/64/572155164.db2.gz QBMRKYUNZDOGDX-SCZZXKLOSA-N 0 0 174.284 2.066 10 0 AEAERN CCC[C@H](C)[C@H](O)[C@@H](C)COC 69903994 572155248 /nfs/dbraw/zinc/15/52/48/572155248.db2.gz ICQPKWOFCDWGDU-GUBZILKMSA-N 0 0 174.284 2.066 10 0 AEAERN CC(=O)C1(/C=C/CO)CCCCC1 35306718 572155541 /nfs/dbraw/zinc/15/55/41/572155541.db2.gz SCJUOLWPJSTYJW-VMPITWQZSA-N 0 0 182.263 2.074 10 0 AEAERN CCC(CC)[C@H](O)[C@@H](C)COC 69903729 572155390 /nfs/dbraw/zinc/15/53/90/572155390.db2.gz QBMRKYUNZDOGDX-WCBMZHEXSA-N 0 0 174.284 2.066 10 0 AEAERN COC[C@H](C)[C@@H](O)C1CCCCC1 69903761 572155392 /nfs/dbraw/zinc/15/53/92/572155392.db2.gz SHIIPNDRAWQKOT-GXSJLCMTSA-N 0 0 186.295 2.210 10 0 AEAERN COC[C@H](C)[C@H](O)c1ccc(C)cc1 69903699 572155402 /nfs/dbraw/zinc/15/54/02/572155402.db2.gz IYGFXUXQMSNHES-JQWIXIFHSA-N 0 0 194.274 2.311 10 0 AEAERN COC[C@H](C)[C@H](O)c1cccc(C)c1 69903742 572155469 /nfs/dbraw/zinc/15/54/69/572155469.db2.gz KIYLNNWSKBNKNJ-JQWIXIFHSA-N 0 0 194.274 2.311 10 0 AEAERN CC(C)[S@@](=O)N(C)CC(C)(C)C 687787927 572155600 /nfs/dbraw/zinc/15/56/00/572155600.db2.gz PWBBLPHJGNNZIC-GFCCVEGCSA-N 0 0 191.340 2.036 10 0 AEAERN COC[C@@H](C)Oc1cccc(O)c1C 69902873 572155653 /nfs/dbraw/zinc/15/56/53/572155653.db2.gz OQAJQDRMQUYWOP-MRVPVSSYSA-N 0 0 196.246 2.114 10 0 AEAERN C[C@H]1CCC[C@H](n2nccc2N)[C@@H]1C 82859699 572155662 /nfs/dbraw/zinc/15/56/62/572155662.db2.gz DUADZJISZLLLJB-AEJSXWLSSA-N 0 0 193.294 2.463 10 0 AEAERN COC[C@H](C)[C@@H](O)c1ccsc1 69903594 572155846 /nfs/dbraw/zinc/15/58/46/572155846.db2.gz ONIBSABMMRQRTF-IONNQARKSA-N 0 0 186.276 2.064 10 0 AEAERN COC[C@H](C)Oc1cccc(O)c1C 69902872 572155861 /nfs/dbraw/zinc/15/58/61/572155861.db2.gz OQAJQDRMQUYWOP-QMMMGPOBSA-N 0 0 196.246 2.114 10 0 AEAERN CCCC[C@H](C)C(=O)c1cncnc1 300958428 572155908 /nfs/dbraw/zinc/15/59/08/572155908.db2.gz QBJGAYDLOGUCFQ-VIFPVBQESA-N 0 0 192.262 2.486 10 0 AEAERN COC[C@@H](C)[C@@H](O)c1ccsc1 69903595 572155925 /nfs/dbraw/zinc/15/59/25/572155925.db2.gz ONIBSABMMRQRTF-VXNVDRBHSA-N 0 0 186.276 2.064 10 0 AEAERN COC[C@H](C)Sc1ccccc1N 69902392 572155943 /nfs/dbraw/zinc/15/59/43/572155943.db2.gz MTNNLBCADLXJCN-QMMMGPOBSA-N 0 0 197.303 2.396 10 0 AEAERN COC[C@H](C)[C@@H](O)c1ccccc1F 69903684 572155947 /nfs/dbraw/zinc/15/59/47/572155947.db2.gz LEAOXQJZVPSTKO-GZMMTYOYSA-N 0 0 198.237 2.142 10 0 AEAERN COC[C@H](C)[C@H](O)c1ccc(F)cc1 69903640 572155973 /nfs/dbraw/zinc/15/59/73/572155973.db2.gz WGWWUTLMBGAWIO-KWQFWETISA-N 0 0 198.237 2.142 10 0 AEAERN COC[C@H](C)[C@H](O)c1cccc(F)c1 69903686 572155996 /nfs/dbraw/zinc/15/59/96/572155996.db2.gz HQWUMDRHSQKFDE-KWQFWETISA-N 0 0 198.237 2.142 10 0 AEAERN C[C@H]1CCC[C@@H](n2nccc2N)[C@@H]1C 82859701 572156652 /nfs/dbraw/zinc/15/66/52/572156652.db2.gz DUADZJISZLLLJB-IVZWLZJFSA-N 0 0 193.294 2.463 10 0 AEAERN COC(=N)CCc1ccccc1F 71498662 572156550 /nfs/dbraw/zinc/15/65/50/572156550.db2.gz TZHJULFIYULFTN-UHFFFAOYSA-N 0 0 181.210 2.382 10 0 AEAERN CCCC[C@@H](C)C(=O)c1cnccn1 300956599 572156898 /nfs/dbraw/zinc/15/68/98/572156898.db2.gz PTMOHYRBWQVTCM-SECBINFHSA-N 0 0 192.262 2.486 10 0 AEAERN CC(=O)[C@](C)(O)c1cccc(Cl)c1 35323511 572156908 /nfs/dbraw/zinc/15/69/08/572156908.db2.gz GPBVTYOUBQWKAH-JTQLQIEISA-N 0 0 198.649 2.137 10 0 AEAERN CC[C@H]1CCC[C@H](C(=O)OC)C1 234063568 572156916 /nfs/dbraw/zinc/15/69/16/572156916.db2.gz LGVJFUGROFSUIM-IUCAKERBSA-N 0 0 170.252 2.376 10 0 AEAERN COC[C@H](C)Oc1ccc(C)cc1 82865162 572157410 /nfs/dbraw/zinc/15/74/10/572157410.db2.gz MTSHUVOLRLRBPR-JTQLQIEISA-N 0 0 180.247 2.409 10 0 AEAERN Nc1cc(-c2coc3ccccc23)[nH]n1 69910524 572157158 /nfs/dbraw/zinc/15/71/58/572157158.db2.gz QPHNETOTLJMARQ-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN Nc1ccc(COCC2CC2)c(F)c1 82864906 572157210 /nfs/dbraw/zinc/15/72/10/572157210.db2.gz GUWMIJRFIADFCY-UHFFFAOYSA-N 0 0 195.237 2.335 10 0 AEAERN COC[C@H](C)Oc1cccc(C)c1 82865215 572157271 /nfs/dbraw/zinc/15/72/71/572157271.db2.gz ZLXAURAJNWZRLK-JTQLQIEISA-N 0 0 180.247 2.409 10 0 AEAERN COC[C@H](C)[C@@H](O)CCC(C)C 69904623 572157347 /nfs/dbraw/zinc/15/73/47/572157347.db2.gz SDJSFOLGIBVZSA-UWVGGRQHSA-N 0 0 174.284 2.066 10 0 AEAERN COC[C@H](C)[C@H](O)CCC(C)C 69904624 572157614 /nfs/dbraw/zinc/15/76/14/572157614.db2.gz SDJSFOLGIBVZSA-VHSXEESVSA-N 0 0 174.284 2.066 10 0 AEAERN CNc1ccc(O[C@@H](C)COC)cc1 69905954 572157674 /nfs/dbraw/zinc/15/76/74/572157674.db2.gz IXUJQBNHOXNKDC-VIFPVBQESA-N 0 0 195.262 2.142 10 0 AEAERN CC(=O)[C@@](C)(O)c1cccc(Cl)c1 35323513 572157689 /nfs/dbraw/zinc/15/76/89/572157689.db2.gz GPBVTYOUBQWKAH-SNVBAGLBSA-N 0 0 198.649 2.137 10 0 AEAERN CCCC[C@H](C)C(=O)c1cnccn1 300956602 572158041 /nfs/dbraw/zinc/15/80/41/572158041.db2.gz PTMOHYRBWQVTCM-VIFPVBQESA-N 0 0 192.262 2.486 10 0 AEAERN Nc1cc(F)ccc1COCC1CC1 82864655 572157828 /nfs/dbraw/zinc/15/78/28/572157828.db2.gz XIMKXBWYCBOKSA-UHFFFAOYSA-N 0 0 195.237 2.335 10 0 AEAERN COC[C@@H](C)[C@@H](O)CCC(C)C 69904625 572157890 /nfs/dbraw/zinc/15/78/90/572157890.db2.gz SDJSFOLGIBVZSA-ZJUUUORDSA-N 0 0 174.284 2.066 10 0 AEAERN COC[C@@H](C)Oc1ccccc1C 82865107 572157895 /nfs/dbraw/zinc/15/78/95/572157895.db2.gz QIIZLMMTIQZBBQ-SNVBAGLBSA-N 0 0 180.247 2.409 10 0 AEAERN COC[C@@H](C)Oc1ccc(C)cc1 82865163 572158026 /nfs/dbraw/zinc/15/80/26/572158026.db2.gz MTSHUVOLRLRBPR-SNVBAGLBSA-N 0 0 180.247 2.409 10 0 AEAERN COC[C@@H](C)[C@H](O)CCC(C)C 69904626 572158094 /nfs/dbraw/zinc/15/80/94/572158094.db2.gz SDJSFOLGIBVZSA-NXEZZACHSA-N 0 0 174.284 2.066 10 0 AEAERN CCc1cccc([C@@](C)(O)C(C)=O)c1 35323521 572158150 /nfs/dbraw/zinc/15/81/50/572158150.db2.gz WBAJDGPCPHWAIO-LBPRGKRZSA-N 0 0 192.258 2.046 10 0 AEAERN Cc1ccc2occc2n1 18551783 572158589 /nfs/dbraw/zinc/15/85/89/572158589.db2.gz YOEOYBCPFXKKKA-UHFFFAOYSA-N 0 0 133.150 2.136 10 0 AEAERN CCCOC(=O)/C=C/C(C)C 114406301 572158604 /nfs/dbraw/zinc/15/86/04/572158604.db2.gz ACBGAVGZHKTHSY-AATRIKPKSA-N 0 0 156.225 2.152 10 0 AEAERN COC[C@@H](C)Oc1cccc(C)c1 82865216 572158724 /nfs/dbraw/zinc/15/87/24/572158724.db2.gz ZLXAURAJNWZRLK-SNVBAGLBSA-N 0 0 180.247 2.409 10 0 AEAERN C[C@H]1CC[C@@H](C)[C@@](C)(O)C1 82861537 572158756 /nfs/dbraw/zinc/15/87/56/572158756.db2.gz FCZWEWBNRGMFBE-YIZRAAEISA-N 0 0 142.242 2.194 10 0 AEAERN CCc1cccc([C@](C)(O)C(C)=O)c1 35323519 572158864 /nfs/dbraw/zinc/15/88/64/572158864.db2.gz WBAJDGPCPHWAIO-GFCCVEGCSA-N 0 0 192.258 2.046 10 0 AEAERN CCCOCc1ccc(F)cc1N 82864660 572159077 /nfs/dbraw/zinc/15/90/77/572159077.db2.gz ZZTYWQISSMLGGQ-UHFFFAOYSA-N 0 0 183.226 2.335 10 0 AEAERN C[C@H]1CC[C@H](C)[C@@](C)(O)C1 82861535 572159106 /nfs/dbraw/zinc/15/91/06/572159106.db2.gz FCZWEWBNRGMFBE-CIUDSAMLSA-N 0 0 142.242 2.194 10 0 AEAERN C[C@H]1CCC[C@](C)(O)[C@@H]1C 82861153 572159130 /nfs/dbraw/zinc/15/91/30/572159130.db2.gz YQDVXJIYPMUZPR-YIZRAAEISA-N 0 0 142.242 2.194 10 0 AEAERN Cc1ccc(-c2c(C)ccnc2N)cn1 69942658 572159240 /nfs/dbraw/zinc/15/92/40/572159240.db2.gz GQTANTZMBJQRCY-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN COC(=N)CCc1cccc(OC)c1 71506299 572160449 /nfs/dbraw/zinc/16/04/49/572160449.db2.gz FTADQCPLKWIUDP-UHFFFAOYSA-N 0 0 193.246 2.251 10 0 AEAERN C[C@H]1CCC[C@@](C)(O)[C@@H]1C 82861151 572159372 /nfs/dbraw/zinc/15/93/72/572159372.db2.gz YQDVXJIYPMUZPR-DJLDLDEBSA-N 0 0 142.242 2.194 10 0 AEAERN CCOc1ccc(N)c2cnccc12 35332983 572159443 /nfs/dbraw/zinc/15/94/43/572159443.db2.gz IHMASLYIECIYAL-UHFFFAOYSA-N 0 0 188.230 2.216 10 0 AEAERN CC(C)n1ccc(CC[C@@H](C)CO)n1 82867206 572160457 /nfs/dbraw/zinc/16/04/57/572160457.db2.gz ISOGHUZXYILWBO-SNVBAGLBSA-N 0 0 196.294 2.025 10 0 AEAERN CCC(=O)CCc1ccn(C(C)C)n1 82866524 572159573 /nfs/dbraw/zinc/15/95/73/572159573.db2.gz MBWBPSHSPIAXLT-UHFFFAOYSA-N 0 0 194.278 2.376 10 0 AEAERN Cc1cnc2ccoc2c1 18544465 572159660 /nfs/dbraw/zinc/15/96/60/572159660.db2.gz NMYHYCPTLGBAPN-UHFFFAOYSA-N 0 0 133.150 2.136 10 0 AEAERN CCC(CC)n1ccc(CCCO)n1 82877338 572159717 /nfs/dbraw/zinc/15/97/17/572159717.db2.gz SUGUYKNRBZRQHT-UHFFFAOYSA-N 0 0 196.294 2.169 10 0 AEAERN CC[C@H](CO)[C@@]12CCCCC[C@@H]1O2 35332038 572159795 /nfs/dbraw/zinc/15/97/95/572159795.db2.gz DPYVNDAIAZBQDP-VWYCJHECSA-N 0 0 184.279 2.107 10 0 AEAERN CCC(CC)n1ccc(C[C@@H](C)O)n1 82876410 572159820 /nfs/dbraw/zinc/15/98/20/572159820.db2.gz YKJXIHGBSVSTSP-SECBINFHSA-N 0 0 196.294 2.168 10 0 AEAERN CC(C)n1ccc(C[C@@H](C)[C@H](C)O)n1 82866935 572159823 /nfs/dbraw/zinc/15/98/23/572159823.db2.gz CIUSMQRKTPUHAG-ZJUUUORDSA-N 0 0 196.294 2.023 10 0 AEAERN CC(C)c1ccc(C(=O)CCO)cc1 71506096 572159943 /nfs/dbraw/zinc/15/99/43/572159943.db2.gz SDFOBFLCPSYJQP-UHFFFAOYSA-N 0 0 192.258 2.375 10 0 AEAERN CCC(=O)Cc1ccn([C@@H](C)CC)n1 82876539 572159908 /nfs/dbraw/zinc/15/99/08/572159908.db2.gz NOCUWYQNPTXYBP-VIFPVBQESA-N 0 0 194.278 2.376 10 0 AEAERN COC(=N)Cc1ccc(OC)c(C)c1 71506320 572159923 /nfs/dbraw/zinc/15/99/23/572159923.db2.gz VPDFODVSLRUYAS-UHFFFAOYSA-N 0 0 193.246 2.170 10 0 AEAERN CCC[C@@H]1C[C@@H]1[NH2+]CCCCC(=O)[O-] 300390265 572159986 /nfs/dbraw/zinc/15/99/86/572159986.db2.gz UBEJKTKZMTWQRZ-ZJUUUORDSA-N 0 0 199.294 2.020 10 0 AEAERN CC(C)[S@](=O)N[C@@H](C)C(C)(C)C 687788030 572160015 /nfs/dbraw/zinc/16/00/15/572160015.db2.gz UFDHEWMZXWDAMK-UFBFGSQYSA-N 0 0 191.340 2.083 10 0 AEAERN CC[C@H](C)n1ccc(CCC(C)=O)n1 82876077 572160049 /nfs/dbraw/zinc/16/00/49/572160049.db2.gz DRWXVDYGJIDOPV-VIFPVBQESA-N 0 0 194.278 2.376 10 0 AEAERN CC(=O)[C@H](C)Cc1ccn(C(C)C)n1 82866526 572160064 /nfs/dbraw/zinc/16/00/64/572160064.db2.gz SBJNCLBIWDYOSQ-SECBINFHSA-N 0 0 194.278 2.232 10 0 AEAERN CCC(=O)Cc1ccn([C@H](C)CC)n1 82876537 572160074 /nfs/dbraw/zinc/16/00/74/572160074.db2.gz NOCUWYQNPTXYBP-SECBINFHSA-N 0 0 194.278 2.376 10 0 AEAERN CC(C)[C@@H](O)Cc1ccn(C(C)C)n1 82866689 572160088 /nfs/dbraw/zinc/16/00/88/572160088.db2.gz ZEAOOYWIMMSDEW-NSHDSACASA-N 0 0 196.294 2.023 10 0 AEAERN COC(=N)CCc1ccccc1OC 71506285 572160187 /nfs/dbraw/zinc/16/01/87/572160187.db2.gz ODIYTZIWJYXQRS-UHFFFAOYSA-N 0 0 193.246 2.251 10 0 AEAERN CC[C@H](O)Cc1ccn([C@@H](C)CC)n1 82876429 572160216 /nfs/dbraw/zinc/16/02/16/572160216.db2.gz COJFYVFUIJQXDL-ONGXEEELSA-N 0 0 196.294 2.168 10 0 AEAERN CC[C@H](CO)[C@]12CCCCC[C@@H]1O2 35332046 572160229 /nfs/dbraw/zinc/16/02/29/572160229.db2.gz DPYVNDAIAZBQDP-OUAUKWLOSA-N 0 0 184.279 2.107 10 0 AEAERN CC[C@@H](C)n1ccc(CCC(C)=O)n1 82876075 572160244 /nfs/dbraw/zinc/16/02/44/572160244.db2.gz DRWXVDYGJIDOPV-SECBINFHSA-N 0 0 194.278 2.376 10 0 AEAERN CCCC[C@@H](O)c1c(C)ccnc1N 69941959 572160286 /nfs/dbraw/zinc/16/02/86/572160286.db2.gz JNQRYDYAQWFPKT-SECBINFHSA-N 0 0 194.278 2.196 10 0 AEAERN CC[C@H](O)Cc1ccn([C@H](C)CC)n1 82876428 572160382 /nfs/dbraw/zinc/16/03/82/572160382.db2.gz COJFYVFUIJQXDL-KOLCDFICSA-N 0 0 196.294 2.168 10 0 AEAERN CC[C@H](C)n1ccc(CC(C)(C)O)n1 82876301 572160487 /nfs/dbraw/zinc/16/04/87/572160487.db2.gz NUXNNLSCUNKXAC-VIFPVBQESA-N 0 0 196.294 2.168 10 0 AEAERN CCC[C@@H](O)Cc1ccn(C(C)C)n1 82866707 572160498 /nfs/dbraw/zinc/16/04/98/572160498.db2.gz OMWAXCKXYGWDHI-LLVKDONJSA-N 0 0 196.294 2.168 10 0 AEAERN CC[C@@H](C)n1ccc(CC[C@@H](C)O)n1 82876904 572160590 /nfs/dbraw/zinc/16/05/90/572160590.db2.gz GTRVQYYBNXXWFZ-NXEZZACHSA-N 0 0 196.294 2.168 10 0 AEAERN CC[C@H](C)n1ccc(C[C@H](O)CC)n1 82876425 572160605 /nfs/dbraw/zinc/16/06/05/572160605.db2.gz COJFYVFUIJQXDL-GXSJLCMTSA-N 0 0 196.294 2.168 10 0 AEAERN CC[C@@H](C)n1ccc(CC(C)(C)O)n1 82876299 572160619 /nfs/dbraw/zinc/16/06/19/572160619.db2.gz NUXNNLSCUNKXAC-SECBINFHSA-N 0 0 196.294 2.168 10 0 AEAERN CC(=O)CCCc1ccn(C(C)C)n1 82867126 572160622 /nfs/dbraw/zinc/16/06/22/572160622.db2.gz WPWWGDXGCPEUDP-UHFFFAOYSA-N 0 0 194.278 2.376 10 0 AEAERN CCC(CC)n1ccc(C[C@H](C)O)n1 82876412 572160698 /nfs/dbraw/zinc/16/06/98/572160698.db2.gz YKJXIHGBSVSTSP-VIFPVBQESA-N 0 0 196.294 2.168 10 0 AEAERN CC(C)n1ccc(CCC[C@H](C)O)n1 82867189 572160711 /nfs/dbraw/zinc/16/07/11/572160711.db2.gz MHBACRAAUVLNGA-JTQLQIEISA-N 0 0 196.294 2.168 10 0 AEAERN CC(C)C(=O)Cc1ccn(C(C)C)n1 82866766 572160715 /nfs/dbraw/zinc/16/07/15/572160715.db2.gz MZKZOKIAYUAXMQ-UHFFFAOYSA-N 0 0 194.278 2.232 10 0 AEAERN COC(=N)Cc1cc(C)ccc1OC 71506321 572160761 /nfs/dbraw/zinc/16/07/61/572160761.db2.gz KVLBNIHIBMIRNC-UHFFFAOYSA-N 0 0 193.246 2.170 10 0 AEAERN O=C1CC=C2CCC[C@@H]2C1 18509460 572160860 /nfs/dbraw/zinc/16/08/60/572160860.db2.gz NLAPZRXPCKKYMB-MRVPVSSYSA-N 0 0 136.194 2.076 10 0 AEAERN CC[C@H](C)n1ccc(CCCCO)n1 82877585 572160831 /nfs/dbraw/zinc/16/08/31/572160831.db2.gz HBWQDIZJORFFFD-JTQLQIEISA-N 0 0 196.294 2.169 10 0 AEAERN CC[C@@H](O)Cc1ccn([C@H](C)CC)n1 82876423 572160836 /nfs/dbraw/zinc/16/08/36/572160836.db2.gz COJFYVFUIJQXDL-MWLCHTKSSA-N 0 0 196.294 2.168 10 0 AEAERN CCCC[C@H](O)c1cc(C)cnc1N 69942866 572160919 /nfs/dbraw/zinc/16/09/19/572160919.db2.gz UGOSEAFLBKJQTG-JTQLQIEISA-N 0 0 194.278 2.196 10 0 AEAERN CC(C)[S@@](=O)N[C@H](C)C(C)(C)C 687788028 572160958 /nfs/dbraw/zinc/16/09/58/572160958.db2.gz UFDHEWMZXWDAMK-PRHODGIISA-N 0 0 191.340 2.083 10 0 AEAERN CC[C@@H](C)n1ccc(CC[C@H](C)O)n1 82876907 572161060 /nfs/dbraw/zinc/16/10/60/572161060.db2.gz GTRVQYYBNXXWFZ-ZJUUUORDSA-N 0 0 196.294 2.168 10 0 AEAERN CCCC[C@@H](O)c1cc(C)cnc1N 69942867 572161061 /nfs/dbraw/zinc/16/10/61/572161061.db2.gz UGOSEAFLBKJQTG-SNVBAGLBSA-N 0 0 194.278 2.196 10 0 AEAERN CC(C)[S@](=O)N[C@H](C)C(C)(C)C 687788027 572161298 /nfs/dbraw/zinc/16/12/98/572161298.db2.gz UFDHEWMZXWDAMK-PELKAZGASA-N 0 0 191.340 2.083 10 0 AEAERN CC(C)c1ccc(CCN(C)N)cc1 71506221 572161346 /nfs/dbraw/zinc/16/13/46/572161346.db2.gz UWPBAUYOQASCLD-UHFFFAOYSA-N 0 0 192.306 2.158 10 0 AEAERN CC(C)[S@@](=O)N[C@@H](C)C(C)(C)C 687788029 572161362 /nfs/dbraw/zinc/16/13/62/572161362.db2.gz UFDHEWMZXWDAMK-QPUJVOFHSA-N 0 0 191.340 2.083 10 0 AEAERN CC[C@](C)(O)Cc1ccn(C(C)C)n1 82866655 572161425 /nfs/dbraw/zinc/16/14/25/572161425.db2.gz OJBBHORAVNDTFB-NSHDSACASA-N 0 0 196.294 2.168 10 0 AEAERN CCCC[C@H](O)c1c(C)ccnc1N 69941957 572161445 /nfs/dbraw/zinc/16/14/45/572161445.db2.gz JNQRYDYAQWFPKT-VIFPVBQESA-N 0 0 194.278 2.196 10 0 AEAERN CCCc1ccc(C(=O)CCO)cc1 71506103 572161474 /nfs/dbraw/zinc/16/14/74/572161474.db2.gz BDJFTOUAOKQUEN-UHFFFAOYSA-N 0 0 192.258 2.204 10 0 AEAERN CCC[C@H](O)Cc1ccn(C(C)C)n1 82866706 572161561 /nfs/dbraw/zinc/16/15/61/572161561.db2.gz OMWAXCKXYGWDHI-NSHDSACASA-N 0 0 196.294 2.168 10 0 AEAERN Cc1cc(C)c2c(c1)CC[C@H]2O 43393165 572161574 /nfs/dbraw/zinc/16/15/74/572161574.db2.gz UFCFRSDXQDWNLM-SNVBAGLBSA-N 0 0 162.232 2.283 10 0 AEAERN CC(C)n1ccc(CC[C@H](C)CO)n1 82867207 572161584 /nfs/dbraw/zinc/16/15/84/572161584.db2.gz ISOGHUZXYILWBO-JTQLQIEISA-N 0 0 196.294 2.025 10 0 AEAERN CC(=O)[C@@H](C)Cc1ccn(C(C)C)n1 82866527 572161588 /nfs/dbraw/zinc/16/15/88/572161588.db2.gz SBJNCLBIWDYOSQ-VIFPVBQESA-N 0 0 194.278 2.232 10 0 AEAERN CC(C)n1ccc(C[C@H](C)[C@@H](C)O)n1 82866934 572161831 /nfs/dbraw/zinc/16/18/31/572161831.db2.gz CIUSMQRKTPUHAG-VHSXEESVSA-N 0 0 196.294 2.023 10 0 AEAERN CCc1onc(C2CC2)c1C 18590210 572161845 /nfs/dbraw/zinc/16/18/45/572161845.db2.gz YDAIWYQPCIMRQZ-UHFFFAOYSA-N 0 0 151.209 2.423 10 0 AEAERN 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572175950 /nfs/dbraw/zinc/17/59/50/572175950.db2.gz FVJDYCQYWAIKOF-OJOKCITNSA-N 0 0 150.221 2.012 10 0 AEAERN CCc1cccc(OC[C@H](O)CC)c1 37694821 572175994 /nfs/dbraw/zinc/17/59/94/572175994.db2.gz APDYZISIOKNJFP-LLVKDONJSA-N 0 0 194.274 2.399 10 0 AEAERN CSC[C@H](C)C(=O)Cc1ccco1 300961790 572177297 /nfs/dbraw/zinc/17/72/97/572177297.db2.gz PMSLITDECRCFHD-QMMMGPOBSA-N 0 0 198.287 2.390 10 0 AEAERN CCc1ccccc1NC[C@@H](O)CC 37688581 572176153 /nfs/dbraw/zinc/17/61/53/572176153.db2.gz NZGKCHVTUODEHI-NSHDSACASA-N 0 0 193.290 2.432 10 0 AEAERN CC[C@@H](O)COc1ccc(C)cc1 37694713 572176222 /nfs/dbraw/zinc/17/62/22/572176222.db2.gz VJNFANFGMXLCQJ-SNVBAGLBSA-N 0 0 180.247 2.145 10 0 AEAERN CCCCOc1nccc(C)c1N 70063217 572176236 /nfs/dbraw/zinc/17/62/36/572176236.db2.gz ARGGJMQSUJAVOJ-UHFFFAOYSA-N 0 0 180.251 2.151 10 0 AEAERN CC(C)SCC(=O)c1ccc[nH]1 37687613 572176257 /nfs/dbraw/zinc/17/62/57/572176257.db2.gz VFUYBJINDJIZOT-UHFFFAOYSA-N 0 0 183.276 2.339 10 0 AEAERN CC[C@H](O)COc1ccc(C)cc1 37694712 572176719 /nfs/dbraw/zinc/17/67/19/572176719.db2.gz VJNFANFGMXLCQJ-JTQLQIEISA-N 0 0 180.247 2.145 10 0 AEAERN CCCCCC[C@H](O)c1ccncn1 70097086 572176886 /nfs/dbraw/zinc/17/68/86/572176886.db2.gz UBKVAPPHBMNZGS-NSHDSACASA-N 0 0 194.278 2.480 10 0 AEAERN CC[C@H](O)[C@H](O)c1ccc(C)cc1C 234072174 572176929 /nfs/dbraw/zinc/17/69/29/572176929.db2.gz LDLJMKYDAAMZQI-NWDGAFQWSA-N 0 0 194.274 2.108 10 0 AEAERN COCCCC[C@](C)(O)[C@H]1C[C@H]1C 686327478 572177100 /nfs/dbraw/zinc/17/71/00/572177100.db2.gz ACAGOYSLSGQMMD-VWYCJHECSA-N 0 0 186.295 2.210 10 0 AEAERN CC[C@H](O)[C@H](O)c1ccc(C)c(C)c1 234072114 572177117 /nfs/dbraw/zinc/17/71/17/572177117.db2.gz FLTNMZAPZKDPOM-NWDGAFQWSA-N 0 0 194.274 2.108 10 0 AEAERN CC[C@H](O)[C@H](O)c1cccc(C)c1C 234072644 572178862 /nfs/dbraw/zinc/17/88/62/572178862.db2.gz IWHSMXSDBHWKFM-NWDGAFQWSA-N 0 0 194.274 2.108 10 0 AEAERN COC(=N)Cc1cc(F)ccc1OC 71507441 572177147 /nfs/dbraw/zinc/17/71/47/572177147.db2.gz HWBSVUYDDZDGFE-UHFFFAOYSA-N 0 0 197.209 2.000 10 0 AEAERN CC[C@H](O)COc1cc(C)cc(C)c1 37695540 572177535 /nfs/dbraw/zinc/17/75/35/572177535.db2.gz ZNTWRDAIUHWZTN-NSHDSACASA-N 0 0 194.274 2.453 10 0 AEAERN C[C@H]1CN[C@H](c2ccccc2Cl)O1 71507596 572177590 /nfs/dbraw/zinc/17/75/90/572177590.db2.gz RYGHAORRWJZXKK-XVKPBYJWSA-N 0 0 197.665 2.347 10 0 AEAERN CC(C)[NH2+][C@H](c1cnco1)C(C)C 84337092 572177647 /nfs/dbraw/zinc/17/76/47/572177647.db2.gz IWAOMIMMPJJSMR-JTQLQIEISA-N 0 0 182.267 2.370 10 0 AEAERN CC(C)=CCOc1ccccc1C[NH3+] 37698962 572177718 /nfs/dbraw/zinc/17/77/18/572177718.db2.gz GDHMTAWKDNBGOJ-UHFFFAOYSA-N 0 0 191.274 2.490 10 0 AEAERN CC[C@H](O)COc1ccc(C)c(C)c1 37695513 572177740 /nfs/dbraw/zinc/17/77/40/572177740.db2.gz LSYYGBHKJOGKIG-NSHDSACASA-N 0 0 194.274 2.453 10 0 AEAERN Cc1cc([C@@H]2CCCCC[NH2+]2)no1 19119312 572178883 /nfs/dbraw/zinc/17/88/83/572178883.db2.gz YTOKEOFXRZLRJX-VIFPVBQESA-N 0 0 180.251 2.188 10 0 AEAERN CCc1ccc(OCC(C)(C)O)cc1 37695275 572177807 /nfs/dbraw/zinc/17/78/07/572177807.db2.gz SLHXEYZQUNILAU-UHFFFAOYSA-N 0 0 194.274 2.399 10 0 AEAERN CCC[C@H](C)O[C@H]1CCCC[C@H]1O 687790296 572177881 /nfs/dbraw/zinc/17/78/81/572177881.db2.gz LNLCVZFLJNNMNA-AXFHLTTASA-N 0 0 186.295 2.495 10 0 AEAERN COC(=N)CCOc1ccc(F)cc1 71507445 572177901 /nfs/dbraw/zinc/17/79/01/572177901.db2.gz MGBTYRONPYTHGA-UHFFFAOYSA-N 0 0 197.209 2.218 10 0 AEAERN CC[C@H](O)COc1cccc(C)c1 37695587 572177913 /nfs/dbraw/zinc/17/79/13/572177913.db2.gz VOVTZLSOGNEITD-JTQLQIEISA-N 0 0 180.247 2.145 10 0 AEAERN CCC[C@H](C)O[C@@H]1CCCC[C@@H]1O 687790298 572178107 /nfs/dbraw/zinc/17/81/07/572178107.db2.gz LNLCVZFLJNNMNA-GARJFASQSA-N 0 0 186.295 2.495 10 0 AEAERN CC[C@@H](O)COc1cc(C)ccc1C 37695487 572179156 /nfs/dbraw/zinc/17/91/56/572179156.db2.gz OGZJMYZOUHFMSL-LLVKDONJSA-N 0 0 194.274 2.453 10 0 AEAERN CCc1ccccc1OCC(C)(C)O 37694968 572178390 /nfs/dbraw/zinc/17/83/90/572178390.db2.gz CUEOHGXVJBCQMA-UHFFFAOYSA-N 0 0 194.274 2.399 10 0 AEAERN CCC[C@H](C)O[C@H]1CCCC[C@@H]1O 687790297 572178393 /nfs/dbraw/zinc/17/83/93/572178393.db2.gz LNLCVZFLJNNMNA-DCAQKATOSA-N 0 0 186.295 2.495 10 0 AEAERN COC(=N)CCOc1ccccc1F 71507443 572178400 /nfs/dbraw/zinc/17/84/00/572178400.db2.gz HBKMNVKOVPLBGO-UHFFFAOYSA-N 0 0 197.209 2.218 10 0 AEAERN CCc1ccc(OC[C@H](O)CC)cc1 37695256 572178611 /nfs/dbraw/zinc/17/86/11/572178611.db2.gz GPAVFBSZJSPOGI-LLVKDONJSA-N 0 0 194.274 2.399 10 0 AEAERN COC(=N)Cc1ccc(OC)c(F)c1 71507440 572178836 /nfs/dbraw/zinc/17/88/36/572178836.db2.gz CBTFPKNVSVPWJA-UHFFFAOYSA-N 0 0 197.209 2.000 10 0 AEAERN CC[C@@H](O)COc1cc(C)cc(C)c1 37695541 572178838 /nfs/dbraw/zinc/17/88/38/572178838.db2.gz ZNTWRDAIUHWZTN-LLVKDONJSA-N 0 0 194.274 2.453 10 0 AEAERN CC[C@H](O)COc1ccccc1C 37695614 572178741 /nfs/dbraw/zinc/17/87/41/572178741.db2.gz ODQOLOYUQYKTJW-JTQLQIEISA-N 0 0 180.247 2.145 10 0 AEAERN CCOC(=O)c1cn([C@@H](C)CC)cn1 300961319 572178705 /nfs/dbraw/zinc/17/87/05/572178705.db2.gz QYMBHDBEQUADMC-QMMMGPOBSA-N 0 0 196.250 2.031 10 0 AEAERN COC(=N)CCOc1cccc(F)c1 71507444 572178766 /nfs/dbraw/zinc/17/87/66/572178766.db2.gz NKIGIOOGJHMVLU-UHFFFAOYSA-N 0 0 197.209 2.218 10 0 AEAERN CCCC(F)(F)C(C)=O 221036015 572178780 /nfs/dbraw/zinc/17/87/80/572178780.db2.gz FUYQCOSNPRCPNR-UHFFFAOYSA-N 0 0 136.141 2.011 10 0 AEAERN CC[C@@H](O)COc1ccccc1C 37695616 572178785 /nfs/dbraw/zinc/17/87/85/572178785.db2.gz ODQOLOYUQYKTJW-SNVBAGLBSA-N 0 0 180.247 2.145 10 0 AEAERN CC[C@H](O)[C@H](O)c1cc(C)cc(C)c1 234071691 572178787 /nfs/dbraw/zinc/17/87/87/572178787.db2.gz VDCNXKFYXJURTJ-NWDGAFQWSA-N 0 0 194.274 2.108 10 0 AEAERN C[C@@H]1CN[C@H](c2ccccc2Cl)O1 71507595 572178793 /nfs/dbraw/zinc/17/87/93/572178793.db2.gz RYGHAORRWJZXKK-XCBNKYQSSA-N 0 0 197.665 2.347 10 0 AEAERN CCc1ccc(OC[C@@H](O)CC)cc1 37695258 572178802 /nfs/dbraw/zinc/17/88/02/572178802.db2.gz GPAVFBSZJSPOGI-NSHDSACASA-N 0 0 194.274 2.399 10 0 AEAERN CC[C@@H](O)COc1ccc(C)c(C)c1 37695514 572178823 /nfs/dbraw/zinc/17/88/23/572178823.db2.gz LSYYGBHKJOGKIG-LLVKDONJSA-N 0 0 194.274 2.453 10 0 AEAERN CSC[C@@H](C)C(=O)Cc1ccco1 300961788 572179095 /nfs/dbraw/zinc/17/90/95/572179095.db2.gz PMSLITDECRCFHD-MRVPVSSYSA-N 0 0 198.287 2.390 10 0 AEAERN CC[C@H](O)COc1cc(C)ccc1C 37695485 572179207 /nfs/dbraw/zinc/17/92/07/572179207.db2.gz OGZJMYZOUHFMSL-NSHDSACASA-N 0 0 194.274 2.453 10 0 AEAERN CCC(=O)[C@@H](C)OCC(C)C 82948344 572180785 /nfs/dbraw/zinc/18/07/85/572180785.db2.gz CQCOTQPCKLHJAI-MRVPVSSYSA-N 0 0 158.241 2.027 10 0 AEAERN CCCCCC[C@@H](O)c1ccncn1 70097087 572179315 /nfs/dbraw/zinc/17/93/15/572179315.db2.gz UBKVAPPHBMNZGS-LLVKDONJSA-N 0 0 194.278 2.480 10 0 AEAERN C[NH2+][C@@H](c1c(C)noc1C)C(C)C 84337103 572179323 /nfs/dbraw/zinc/17/93/23/572179323.db2.gz OUUWMVNJAOECBP-SNVBAGLBSA-N 0 0 182.267 2.208 10 0 AEAERN CC[C@@H](O)COc1cccc(C)c1 37695588 572179436 /nfs/dbraw/zinc/17/94/36/572179436.db2.gz VOVTZLSOGNEITD-SNVBAGLBSA-N 0 0 180.247 2.145 10 0 AEAERN COCCCC[C@](C)(O)[C@@H]1C[C@@H]1C 686327469 572179459 /nfs/dbraw/zinc/17/94/59/572179459.db2.gz ACAGOYSLSGQMMD-AXFHLTTASA-N 0 0 186.295 2.210 10 0 AEAERN CCC(=O)[C@H](C)O[C@@H](C)CC 82948589 572180798 /nfs/dbraw/zinc/18/07/98/572180798.db2.gz JGODQJIXMVXFJO-YUMQZZPRSA-N 0 0 158.241 2.169 10 0 AEAERN CCCc1nccn1[C@H](C)C(=O)CC 82948263 572179584 /nfs/dbraw/zinc/17/95/84/572179584.db2.gz CTMCXISTVMCOMX-SECBINFHSA-N 0 0 194.278 2.376 10 0 AEAERN COCCCC[C@](C)(O)[C@@H]1C[C@H]1C 686327476 572179713 /nfs/dbraw/zinc/17/97/13/572179713.db2.gz ACAGOYSLSGQMMD-MXWKQRLJSA-N 0 0 186.295 2.210 10 0 AEAERN CCc1ccccc1OC[C@@H](O)CC 37694959 572179836 /nfs/dbraw/zinc/17/98/36/572179836.db2.gz OGOLAFULAUBXCG-NSHDSACASA-N 0 0 194.274 2.399 10 0 AEAERN CC[C@@H](O)COc1cccc(C)c1C 37695202 572179860 /nfs/dbraw/zinc/17/98/60/572179860.db2.gz VGNFEGLLYWRDJK-LLVKDONJSA-N 0 0 194.274 2.453 10 0 AEAERN Cc1cccc(NCCCCO)c1 43445264 572179905 /nfs/dbraw/zinc/17/99/05/572179905.db2.gz MKESKIPUIFRYRB-UHFFFAOYSA-N 0 0 179.263 2.179 10 0 AEAERN CCC(=O)[C@H](C)OCC(C)C 82948346 572179913 /nfs/dbraw/zinc/17/99/13/572179913.db2.gz CQCOTQPCKLHJAI-QMMMGPOBSA-N 0 0 158.241 2.027 10 0 AEAERN CC[C@H](O)COc1cccc(C)c1C 37695200 572179922 /nfs/dbraw/zinc/17/99/22/572179922.db2.gz VGNFEGLLYWRDJK-NSHDSACASA-N 0 0 194.274 2.453 10 0 AEAERN CCCCO[C@H](C)C(=O)CC 82948563 572179932 /nfs/dbraw/zinc/17/99/32/572179932.db2.gz ZUNMWESSBBMBIC-MRVPVSSYSA-N 0 0 158.241 2.171 10 0 AEAERN CCC[C@H](C)O[C@@H]1CCCC[C@H]1O 687790299 572179946 /nfs/dbraw/zinc/17/99/46/572179946.db2.gz LNLCVZFLJNNMNA-HBNTYKKESA-N 0 0 186.295 2.495 10 0 AEAERN COCCCC[C@](C)(O)[C@H]1C[C@@H]1C 686327474 572179979 /nfs/dbraw/zinc/17/99/79/572179979.db2.gz ACAGOYSLSGQMMD-DCAQKATOSA-N 0 0 186.295 2.210 10 0 AEAERN CC(=O)c1c(C)nc2n1CCC[C@@H]2C 84353110 572180107 /nfs/dbraw/zinc/18/01/07/572180107.db2.gz UVNHGDHKRTVUNJ-ZETCQYMHSA-N 0 0 192.262 2.291 10 0 AEAERN CCC(=O)[C@@H](C)OCCC(C)C 82948333 572180175 /nfs/dbraw/zinc/18/01/75/572180175.db2.gz CHGFGFNXVQDGSD-SECBINFHSA-N 0 0 172.268 2.417 10 0 AEAERN C/C=C/COc1ccccc1C[NH2+]C 37702428 572180237 /nfs/dbraw/zinc/18/02/37/572180237.db2.gz WARYAPHYUURTPJ-ONEGZZNKSA-N 0 0 191.274 2.361 10 0 AEAERN CCCCN(C)N(C)CCCC 19170855 572180275 /nfs/dbraw/zinc/18/02/75/572180275.db2.gz HUUBGMAZZGQSLS-UHFFFAOYSA-N 0 0 172.316 2.365 10 0 AEAERN CCC(=O)[C@@H](C)N(C)Cc1ccco1 82947313 572180342 /nfs/dbraw/zinc/18/03/42/572180342.db2.gz GFFVBAIKCSGFDT-SECBINFHSA-N 0 0 195.262 2.079 10 0 AEAERN CC[C@@H](C)SCCCCO 35650344 572180362 /nfs/dbraw/zinc/18/03/62/572180362.db2.gz AHODLVJYSWWVGV-MRVPVSSYSA-N 0 0 162.298 2.291 10 0 AEAERN CCC(=O)[C@H](C)OC1CCCC1 82948396 572181299 /nfs/dbraw/zinc/18/12/99/572181299.db2.gz XYLOLEATHBRITE-QMMMGPOBSA-N 0 0 170.252 2.313 10 0 AEAERN CCC(=O)[C@@H](C)O[C@H](C)CC 82948590 572180440 /nfs/dbraw/zinc/18/04/40/572180440.db2.gz JGODQJIXMVXFJO-HTQZYQBOSA-N 0 0 158.241 2.169 10 0 AEAERN CCC(=O)[C@H](C)N(C)Cc1ccoc1 82947511 572180454 /nfs/dbraw/zinc/18/04/54/572180454.db2.gz SWQKCPGRPAWULY-VIFPVBQESA-N 0 0 195.262 2.079 10 0 AEAERN CC(C)OCCCC(=O)[C@H]1C[C@H]1C 689404314 572180456 /nfs/dbraw/zinc/18/04/56/572180456.db2.gz LVIJMIZSOAYAKG-ZJUUUORDSA-N 0 0 184.279 2.417 10 0 AEAERN CCC(=O)[C@H](C)Oc1ccccc1 82948473 572180463 /nfs/dbraw/zinc/18/04/63/572180463.db2.gz MINOGJNIZXEJNA-VIFPVBQESA-N 0 0 178.231 2.433 10 0 AEAERN CC[C@H](C)SCCCCO 35650345 572180577 /nfs/dbraw/zinc/18/05/77/572180577.db2.gz AHODLVJYSWWVGV-QMMMGPOBSA-N 0 0 162.298 2.291 10 0 AEAERN CCCCO[C@@H](C)C(=O)CC 82948561 572180590 /nfs/dbraw/zinc/18/05/90/572180590.db2.gz ZUNMWESSBBMBIC-QMMMGPOBSA-N 0 0 158.241 2.171 10 0 AEAERN CCC(=O)[C@@H](C)O[C@@H](C)CC 82948592 572180638 /nfs/dbraw/zinc/18/06/38/572180638.db2.gz JGODQJIXMVXFJO-JGVFFNPUSA-N 0 0 158.241 2.169 10 0 AEAERN CCC(=O)[C@@H](C)N(C)Cc1ccoc1 82947509 572180661 /nfs/dbraw/zinc/18/06/61/572180661.db2.gz SWQKCPGRPAWULY-SECBINFHSA-N 0 0 195.262 2.079 10 0 AEAERN CC(C)OCCCC(=O)[C@@H]1C[C@@H]1C 689404307 572180922 /nfs/dbraw/zinc/18/09/22/572180922.db2.gz LVIJMIZSOAYAKG-VHSXEESVSA-N 0 0 184.279 2.417 10 0 AEAERN CCSCCCN[C@@H](C)C(F)F 300963313 572181075 /nfs/dbraw/zinc/18/10/75/572181075.db2.gz QVZSUVVFZIWHAH-ZETCQYMHSA-N 0 0 197.294 2.373 10 0 AEAERN CC(C)OCCCC(=O)[C@@H]1C[C@H]1C 689404289 572181153 /nfs/dbraw/zinc/18/11/53/572181153.db2.gz LVIJMIZSOAYAKG-NXEZZACHSA-N 0 0 184.279 2.417 10 0 AEAERN CCOCc1cccc(N)c1C 35649328 572181196 /nfs/dbraw/zinc/18/11/96/572181196.db2.gz IFZQWVWSFBYCFN-UHFFFAOYSA-N 0 0 165.236 2.114 10 0 AEAERN CCOc1cccc2c1NCCC2 19257526 572181486 /nfs/dbraw/zinc/18/14/86/572181486.db2.gz KAQIJCBMPURSIN-UHFFFAOYSA-N 0 0 177.247 2.443 10 0 AEAERN Cc1c(C)c2c(c(C)c1C=O)CCO2 78176292 572181593 /nfs/dbraw/zinc/18/15/93/572181593.db2.gz AMWYVCNBPNRFDS-UHFFFAOYSA-N 0 0 190.242 2.359 10 0 AEAERN CCC(=O)[C@H](C)O[C@H](C)CC 82948587 572181600 /nfs/dbraw/zinc/18/16/00/572181600.db2.gz JGODQJIXMVXFJO-SFYZADRCSA-N 0 0 158.241 2.169 10 0 AEAERN CC(C)OCCCC(=O)[C@H]1C[C@@H]1C 689404298 572181659 /nfs/dbraw/zinc/18/16/59/572181659.db2.gz LVIJMIZSOAYAKG-UWVGGRQHSA-N 0 0 184.279 2.417 10 0 AEAERN CCC(=O)[C@H](C)OCCC(C)C 82948335 572181781 /nfs/dbraw/zinc/18/17/81/572181781.db2.gz CHGFGFNXVQDGSD-VIFPVBQESA-N 0 0 172.268 2.417 10 0 AEAERN CC[C@H]1OCC[C@H]1Cn1cccc1 234073953 572181857 /nfs/dbraw/zinc/18/18/57/572181857.db2.gz DTFAFSFYZRZRML-WDEREUQCSA-N 0 0 179.263 2.303 10 0 AEAERN CC(=O)CCOc1cc(C)ccc1F 82939846 572181933 /nfs/dbraw/zinc/18/19/33/572181933.db2.gz ZOWJLNCMPMYVJM-UHFFFAOYSA-N 0 0 196.221 2.492 10 0 AEAERN CCC(=O)[C@H](C)N(C)Cc1ccco1 82947315 572181983 /nfs/dbraw/zinc/18/19/83/572181983.db2.gz GFFVBAIKCSGFDT-VIFPVBQESA-N 0 0 195.262 2.079 10 0 AEAERN CC(C)COCc1cccc(N)c1 19265752 572182022 /nfs/dbraw/zinc/18/20/22/572182022.db2.gz GDMRKZMBDFUELG-UHFFFAOYSA-N 0 0 179.263 2.441 10 0 AEAERN Cc1c[nH]c(N[C@H]2CC[C@H](C)C2)[nH+]1 235654417 572182137 /nfs/dbraw/zinc/18/21/37/572182137.db2.gz YPOGYNBDJBICJQ-CBAPKCEASA-N 0 0 179.267 2.319 10 0 AEAERN Cc1cccc(NCCCCO)c1C 43445401 572182166 /nfs/dbraw/zinc/18/21/66/572182166.db2.gz BCNANPWSZMDGHP-UHFFFAOYSA-N 0 0 193.290 2.488 10 0 AEAERN CCCCC[C@@H](O)c1cnn(C)c1 70168992 572182308 /nfs/dbraw/zinc/18/23/08/572182308.db2.gz AYOWWPKFJPXVHF-SNVBAGLBSA-N 0 0 182.267 2.034 10 0 AEAERN C[C@H]1CCCC[C@@H]1n1nccc1N 19262397 572182326 /nfs/dbraw/zinc/18/23/26/572182326.db2.gz XMEDQNIRXHCZTN-IUCAKERBSA-N 0 0 179.267 2.217 10 0 AEAERN CC(=O)CCN(C)c1ccc(F)cc1 70162238 572182405 /nfs/dbraw/zinc/18/24/05/572182405.db2.gz OZHZDTIQAZMDAK-UHFFFAOYSA-N 0 0 195.237 2.241 10 0 AEAERN CCCc1nccn1[C@@H](C)C(=O)CC 82948261 572182443 /nfs/dbraw/zinc/18/24/43/572182443.db2.gz CTMCXISTVMCOMX-VIFPVBQESA-N 0 0 194.278 2.376 10 0 AEAERN Cc1cn(C)c(N[C@H]2CC[C@H](C)C2)[nH+]1 235654696 572182461 /nfs/dbraw/zinc/18/24/61/572182461.db2.gz JSZSPGILKOSVBI-WPRPVWTQSA-N 0 0 193.294 2.329 10 0 AEAERN CC[C@H](O)COc1cc(C)ccc1F 82939460 572182670 /nfs/dbraw/zinc/18/26/70/572182670.db2.gz YJBAWZLAJOAFGL-VIFPVBQESA-N 0 0 198.237 2.284 10 0 AEAERN Cc1cc(C)cc(NCCCCO)c1 43445382 572182665 /nfs/dbraw/zinc/18/26/65/572182665.db2.gz FHBFVIVOAROPLJ-UHFFFAOYSA-N 0 0 193.290 2.488 10 0 AEAERN Cc1ccc(F)c(OCCCCO)c1 82939448 572182832 /nfs/dbraw/zinc/18/28/32/572182832.db2.gz VGLJZPYUOLUUCH-UHFFFAOYSA-N 0 0 198.237 2.285 10 0 AEAERN CCC(=O)[C@@H](C)Oc1ccccc1 82948471 572182844 /nfs/dbraw/zinc/18/28/44/572182844.db2.gz MINOGJNIZXEJNA-SECBINFHSA-N 0 0 178.231 2.433 10 0 AEAERN C[C@@H]1CCCC[C@H]1n1nccc1N 19262399 572183785 /nfs/dbraw/zinc/18/37/85/572183785.db2.gz XMEDQNIRXHCZTN-RKDXNWHRSA-N 0 0 179.267 2.217 10 0 AEAERN CC[C@@H](O)COc1cc(C)ccc1F 82939461 572182894 /nfs/dbraw/zinc/18/28/94/572182894.db2.gz YJBAWZLAJOAFGL-SECBINFHSA-N 0 0 198.237 2.284 10 0 AEAERN Cc1cc2nc(N)sc2s1 84225197 572183791 /nfs/dbraw/zinc/18/37/91/572183791.db2.gz GHERZKLGLWKRID-UHFFFAOYSA-N 0 0 170.262 2.248 10 0 AEAERN C[C@H]1CCCC[C@H]1n1nccc1N 19262401 572182935 /nfs/dbraw/zinc/18/29/35/572182935.db2.gz XMEDQNIRXHCZTN-DTWKUNHWSA-N 0 0 179.267 2.217 10 0 AEAERN Cc1nnc(/C=C\C(C)(C)C)o1 379338893 572182943 /nfs/dbraw/zinc/18/29/43/572182943.db2.gz RNOLQEMLVDASRI-WAYWQWQTSA-N 0 0 166.224 2.437 10 0 AEAERN CCCC[C@@H](C)C(=O)COCC 300964116 572182951 /nfs/dbraw/zinc/18/29/51/572182951.db2.gz QYVDRNPHLOLPTE-SECBINFHSA-N 0 0 172.268 2.418 10 0 AEAERN CC(=O)CCOC1CCCCC1 70162212 572183048 /nfs/dbraw/zinc/18/30/48/572183048.db2.gz ZTCYRMCMQQWYOV-UHFFFAOYSA-N 0 0 170.252 2.315 10 0 AEAERN C[C@H](Nc1cc[nH+]cc1)[C@@H]1CCCO1 35736191 572183076 /nfs/dbraw/zinc/18/30/76/572183076.db2.gz MNRNHQAIHSAVIM-ONGXEEELSA-N 0 0 192.262 2.061 10 0 AEAERN CC[C@H]1CSC(N[C@@H](C)C2CC2)=[NH+]1 35734007 572183317 /nfs/dbraw/zinc/18/33/17/572183317.db2.gz JFHADGKCHFPOSM-CBAPKCEASA-N 0 0 198.335 2.256 10 0 AEAERN C[C@H]1COc2ccc(Cl)cc2[C@@H]1[NH3+] 35753027 572183336 /nfs/dbraw/zinc/18/33/36/572183336.db2.gz LVBNCGGKKXAQTF-QUBYGPBYSA-N 0 0 197.665 2.368 10 0 AEAERN CC(=O)CCN(C)c1cccc(F)c1 70162250 572183425 /nfs/dbraw/zinc/18/34/25/572183425.db2.gz XOGBZNPPYZYDFK-UHFFFAOYSA-N 0 0 195.237 2.241 10 0 AEAERN c1ccc2c(c1)OCC[C@H]2[NH2+]C1CC1 19268130 572183438 /nfs/dbraw/zinc/18/34/38/572183438.db2.gz XUXRXLASGNDMFG-LLVKDONJSA-N 0 0 189.258 2.262 10 0 AEAERN CCCC[C@H](C)C(=O)COCC 300964117 572183574 /nfs/dbraw/zinc/18/35/74/572183574.db2.gz QYVDRNPHLOLPTE-VIFPVBQESA-N 0 0 172.268 2.418 10 0 AEAERN C[C@@H]1CCCC[C@@H]1n1nccc1N 19262394 572183724 /nfs/dbraw/zinc/18/37/24/572183724.db2.gz XMEDQNIRXHCZTN-BDAKNGLRSA-N 0 0 179.267 2.217 10 0 AEAERN CC(=O)CCO[C@H](C)CC(C)C 70162210 572183812 /nfs/dbraw/zinc/18/38/12/572183812.db2.gz IFJLHJKNWOVFBJ-SNVBAGLBSA-N 0 0 172.268 2.417 10 0 AEAERN CCC(=O)[C@H](C)SCCCOC 82954180 572183819 /nfs/dbraw/zinc/18/38/19/572183819.db2.gz XQDOWNRTCOISLM-QMMMGPOBSA-N 0 0 190.308 2.124 10 0 AEAERN CC(=O)CCN(C)c1ccccc1C 70162246 572183875 /nfs/dbraw/zinc/18/38/75/572183875.db2.gz UUGFSYMIJMWCEH-UHFFFAOYSA-N 0 0 191.274 2.410 10 0 AEAERN C[C@H](Nc1cc[nH+]cc1)[C@H]1CCCO1 35736193 572183891 /nfs/dbraw/zinc/18/38/91/572183891.db2.gz MNRNHQAIHSAVIM-GXSJLCMTSA-N 0 0 192.262 2.061 10 0 AEAERN Cc1ccc(C)c(-n2cc(N)cn2)c1 35728299 572183928 /nfs/dbraw/zinc/18/39/28/572183928.db2.gz BEQOLZAASPGMNI-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN CCC(C)(C)CF 112935357 572183942 /nfs/dbraw/zinc/18/39/42/572183942.db2.gz XMZRJLDTNODSMN-UHFFFAOYSA-N 0 0 104.168 2.392 10 0 AEAERN CCCCCOCC(=O)OC(C)C 43446942 572185184 /nfs/dbraw/zinc/18/51/84/572185184.db2.gz DGWDMXZENBBGKJ-UHFFFAOYSA-N 0 0 188.267 2.145 10 0 AEAERN O[C@H](Cc1cc(F)ccc1F)C1CC1 43459482 572184035 /nfs/dbraw/zinc/18/40/35/572184035.db2.gz XBFUUNQDUXSIKO-LLVKDONJSA-N 0 0 198.212 2.278 10 0 AEAERN CSc1ccc(OCC(C)=O)cc1 70159228 572184218 /nfs/dbraw/zinc/18/42/18/572184218.db2.gz ITCQEORDNHZVLO-UHFFFAOYSA-N 0 0 196.271 2.376 10 0 AEAERN CC[C@H]1CSC(N[C@H](C)C2CC2)=[NH+]1 35734009 572184221 /nfs/dbraw/zinc/18/42/21/572184221.db2.gz JFHADGKCHFPOSM-APPZFPTMSA-N 0 0 198.335 2.256 10 0 AEAERN CC(=O)CCO[C@@H](C)CC(C)C 70162211 572184229 /nfs/dbraw/zinc/18/42/29/572184229.db2.gz IFJLHJKNWOVFBJ-JTQLQIEISA-N 0 0 172.268 2.417 10 0 AEAERN Cc1ccc(CNc2cn[nH]c2)cc1 35764066 572184444 /nfs/dbraw/zinc/18/44/44/572184444.db2.gz VHROBVHESNPHDL-UHFFFAOYSA-N 0 0 187.246 2.330 10 0 AEAERN CC(=O)CCN(C)c1cccc(C)c1 70162247 572184636 /nfs/dbraw/zinc/18/46/36/572184636.db2.gz VERGVYVQVXHBSG-UHFFFAOYSA-N 0 0 191.274 2.410 10 0 AEAERN CC1(C)COc2ccc(F)cc2C1=O 35784446 572184744 /nfs/dbraw/zinc/18/47/44/572184744.db2.gz MHDYBKNTTRNOQO-UHFFFAOYSA-N 0 0 194.205 2.427 10 0 AEAERN CCCCC[C@H](O)c1cnn(C)c1 70168991 572184916 /nfs/dbraw/zinc/18/49/16/572184916.db2.gz AYOWWPKFJPXVHF-JTQLQIEISA-N 0 0 182.267 2.034 10 0 AEAERN CC(=O)c1nc(CCC(C)(C)C)no1 300964660 572185036 /nfs/dbraw/zinc/18/50/36/572185036.db2.gz YWYHBFAZAQLDDS-UHFFFAOYSA-N 0 0 196.250 2.251 10 0 AEAERN C[C@@H]1COc2ccc(Cl)cc2[C@@H]1[NH3+] 35753024 572185050 /nfs/dbraw/zinc/18/50/50/572185050.db2.gz LVBNCGGKKXAQTF-LHLIQPBNSA-N 0 0 197.665 2.368 10 0 AEAERN CCC(=O)[C@H](C)OCc1ccco1 82948670 572185200 /nfs/dbraw/zinc/18/52/00/572185200.db2.gz DSPZRAVDRXSLDU-QMMMGPOBSA-N 0 0 182.219 2.164 10 0 AEAERN CC(C)CCOCCC1(O)CCC1 687790529 572185244 /nfs/dbraw/zinc/18/52/44/572185244.db2.gz BKTLGSVRKPOKMG-UHFFFAOYSA-N 0 0 186.295 2.354 10 0 AEAERN O[C@@H](Cc1cc(F)ccc1F)C1CC1 43459481 572185439 /nfs/dbraw/zinc/18/54/39/572185439.db2.gz XBFUUNQDUXSIKO-NSHDSACASA-N 0 0 198.212 2.278 10 0 AEAERN O=c1cccc(Nc2ccccc2)[nH]1 35803463 572185459 /nfs/dbraw/zinc/18/54/59/572185459.db2.gz ALLSGODWVLGWIO-UHFFFAOYSA-N 0 0 186.214 2.119 10 0 AEAERN C[C@@H](NN1CCCCC1)C(C)(C)C 687711692 572185500 /nfs/dbraw/zinc/18/55/00/572185500.db2.gz JWIKMDJPXRXEMA-SNVBAGLBSA-N 0 0 184.327 2.412 10 0 AEAERN COCCCOc1cccc(O)c1C 37754091 572185548 /nfs/dbraw/zinc/18/55/48/572185548.db2.gz NSVMARBPGZYJQH-UHFFFAOYSA-N 0 0 196.246 2.116 10 0 AEAERN CCC(=O)[C@@H](C)OCc1ccco1 82948669 572185567 /nfs/dbraw/zinc/18/55/67/572185567.db2.gz DSPZRAVDRXSLDU-MRVPVSSYSA-N 0 0 182.219 2.164 10 0 AEAERN CCO[C@@H]([C@H](N)C(F)F)C(C)(C)C 687791049 572185690 /nfs/dbraw/zinc/18/56/90/572185690.db2.gz KCPFZWBLDHCRBH-BQBZGAKWSA-N 0 0 195.253 2.030 10 0 AEAERN C[C@H](Nn1cccc1)C(C)(C)C 687711592 572185773 /nfs/dbraw/zinc/18/57/73/572185773.db2.gz ZNEQMNFNNUGTAP-VIFPVBQESA-N 0 0 166.268 2.466 10 0 AEAERN O=c1ccc2cc3[nH]ccc3cc2o1 35923630 572185799 /nfs/dbraw/zinc/18/57/99/572185799.db2.gz GGNBXGVBNGXKFW-UHFFFAOYSA-N 0 0 185.182 2.274 10 0 AEAERN CCC[C@H](N)c1nc(C2CCC2)no1 83119994 572185932 /nfs/dbraw/zinc/18/59/32/572185932.db2.gz DGYKCRNUEMFMFU-QMMMGPOBSA-N 0 0 195.266 2.137 10 0 AEAERN CSC[C@@H](C)c1nnc(C2CC2)[nH]1 300965020 572185960 /nfs/dbraw/zinc/18/59/60/572185960.db2.gz PYQMPEUTCMJXGM-ZCFIWIBFSA-N 0 0 197.307 2.149 10 0 AEAERN CCCC[C@@H](C)[C@@H](O)c1cnccn1 300965260 572185995 /nfs/dbraw/zinc/18/59/95/572185995.db2.gz RBWOOFKNGMFIKD-MWLCHTKSSA-N 0 0 194.278 2.336 10 0 AEAERN COc1c(C(C)C)cc(N)c(C)c1N 35837322 572186066 /nfs/dbraw/zinc/18/60/66/572186066.db2.gz OYLLPFNFJWYLDK-UHFFFAOYSA-N 0 0 194.278 2.291 10 0 AEAERN CCCn1nccc1C(=O)C1CCC1 83120268 572186087 /nfs/dbraw/zinc/18/60/87/572186087.db2.gz BZULSGJXZHBCBK-UHFFFAOYSA-N 0 0 192.262 2.276 10 0 AEAERN CC(C)[C@H]1CC(=O)C(C)(C)[C@H](O)C1 35923625 572186096 /nfs/dbraw/zinc/18/60/96/572186096.db2.gz PHQAJNIYTISHSG-RKDXNWHRSA-N 0 0 184.279 2.009 10 0 AEAERN CCN[C@H](C(F)F)[C@@H](CC)OCC 687791045 572186288 /nfs/dbraw/zinc/18/62/88/572186288.db2.gz JGTJOSNMKLLIMK-SFYZADRCSA-N 0 0 195.253 2.045 10 0 AEAERN Cc1ccc([C@H]2CC[C@H](O)[C@@H]2C)cn1 83035532 572186401 /nfs/dbraw/zinc/18/64/01/572186401.db2.gz CRRCIUPGNVWVLT-USWWRNFRSA-N 0 0 191.274 2.264 10 0 AEAERN CCCn1cc(C(=O)C2CCC2)cn1 83120291 572186487 /nfs/dbraw/zinc/18/64/87/572186487.db2.gz WCJXWZAHKIEVTC-UHFFFAOYSA-N 0 0 192.262 2.276 10 0 AEAERN CCO[C@H]([C@H](N)C(F)F)C(C)(C)C 687791050 572186513 /nfs/dbraw/zinc/18/65/13/572186513.db2.gz KCPFZWBLDHCRBH-NKWVEPMBSA-N 0 0 195.253 2.030 10 0 AEAERN C[C@@H](CO)C(=O)c1ccc(Cl)cc1 35882096 572186477 /nfs/dbraw/zinc/18/64/77/572186477.db2.gz WBHOXAJJUVMKIO-ZETCQYMHSA-N 0 0 198.649 2.151 10 0 AEAERN CC[C@H](NC)c1nc(C2CCC2)no1 83120102 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/nfs/dbraw/zinc/19/70/18/572197018.db2.gz DHAJJQBDKCFWDJ-UHFFFAOYSA-N 0 0 195.653 2.187 10 0 AEAERN COC[C@@](C)(O)CC(C)(C)C(C)C 713227752 572197031 /nfs/dbraw/zinc/19/70/31/572197031.db2.gz CQJTUJMUQYQSOG-NSHDSACASA-N 0 0 188.311 2.456 10 0 AEAERN Cc1cc([C@@H](C)NO)ccc1F 19728794 572197099 /nfs/dbraw/zinc/19/70/99/572197099.db2.gz VQMOIAJFQOHPGY-SSDOTTSWSA-N 0 0 169.199 2.174 10 0 AEAERN CCCC[C@@H](C)[C@H](CC1CC1)NN 300974407 572197191 /nfs/dbraw/zinc/19/71/91/572197191.db2.gz SMNHGPFSDKPQDX-KOLCDFICSA-N 0 0 184.327 2.445 10 0 AEAERN COC[C@](C)(O)CC(C)(C)C(C)C 713227751 572197155 /nfs/dbraw/zinc/19/71/55/572197155.db2.gz CQJTUJMUQYQSOG-LLVKDONJSA-N 0 0 188.311 2.456 10 0 AEAERN CCCn1cc([C@@H](O)C2CCC2)cn1 83120485 572197157 /nfs/dbraw/zinc/19/71/57/572197157.db2.gz BAQVKFSZYCZIIC-NSHDSACASA-N 0 0 194.278 2.127 10 0 AEAERN O[C@@H](CCC(F)(F)F)C1CCC1 83120740 572197495 /nfs/dbraw/zinc/19/74/95/572197495.db2.gz NQNMCCNSBDNTNG-ZETCQYMHSA-N 0 0 182.185 2.490 10 0 AEAERN Cc1csc(N)c1C(=O)OC(C)C 36224712 572197581 /nfs/dbraw/zinc/19/75/81/572197581.db2.gz POZZVKYTWRGIQN-UHFFFAOYSA-N 0 0 199.275 2.204 10 0 AEAERN Cc1ccc(C)c([C@@H](C)NO)c1 19728782 572197677 /nfs/dbraw/zinc/19/76/77/572197677.db2.gz FKNYLHRZPXYSGL-SECBINFHSA-N 0 0 165.236 2.343 10 0 AEAERN Cc1cc(C)c(CON)c(C)c1 19733275 572197671 /nfs/dbraw/zinc/19/76/71/572197671.db2.gz GQUHNSFHEYSEIK-UHFFFAOYSA-N 0 0 165.236 2.002 10 0 AEAERN CCSCCCCCCO 78220103 572197805 /nfs/dbraw/zinc/19/78/05/572197805.db2.gz CHFCUNMIFXIPLU-UHFFFAOYSA-N 0 0 162.298 2.292 10 0 AEAERN CC(C)(CCO)Oc1ccccc1 112992778 572197855 /nfs/dbraw/zinc/19/78/55/572197855.db2.gz FZQRNAUORMKLKG-UHFFFAOYSA-N 0 0 180.247 2.226 10 0 AEAERN CCCCCCc1cc(CCO)on1 83187159 572197867 /nfs/dbraw/zinc/19/78/67/572197867.db2.gz ONRBMLIACIXPHX-UHFFFAOYSA-N 0 0 197.278 2.332 10 0 AEAERN Cc1ccc(N)c2nc(C(C)C)cn12 36226499 572197906 /nfs/dbraw/zinc/19/79/06/572197906.db2.gz SXCQIZPXMVQNMS-UHFFFAOYSA-N 0 0 189.262 2.348 10 0 AEAERN Cc1cc([C@H](C)ON)ccc1F 19728761 572197928 /nfs/dbraw/zinc/19/79/28/572197928.db2.gz HCXYOQFODWHHIC-ZETCQYMHSA-N 0 0 169.199 2.085 10 0 AEAERN Cc1ccc([C@H](C)ON)cc1C 19728747 572198181 /nfs/dbraw/zinc/19/81/81/572198181.db2.gz BZWLRXFTHSSMOS-VIFPVBQESA-N 0 0 165.236 2.255 10 0 AEAERN CCc1ccc2c(=O)[nH]ccc2c1 36244074 572198010 /nfs/dbraw/zinc/19/80/10/572198010.db2.gz QMWQSIMFMJTJJI-UHFFFAOYSA-N 0 0 173.215 2.091 10 0 AEAERN CCC[C@H](C)c1cc(CCO)on1 83187256 572198074 /nfs/dbraw/zinc/19/80/74/572198074.db2.gz AKRFSNBZDVJIPS-QMMMGPOBSA-N 0 0 183.251 2.113 10 0 AEAERN CCCn1cc([C@H](O)C2CCC2)cn1 83120483 572198102 /nfs/dbraw/zinc/19/81/02/572198102.db2.gz BAQVKFSZYCZIIC-LLVKDONJSA-N 0 0 194.278 2.127 10 0 AEAERN CCCC(=O)Nc1ccc(=S)[nH]c1 36222362 572198197 /nfs/dbraw/zinc/19/81/97/572198197.db2.gz IIBCCIKWUGDCDB-UHFFFAOYSA-N 0 0 196.275 2.483 10 0 AEAERN CCC(=O)Nc1ccc(=S)[nH]c1 36222361 572198280 /nfs/dbraw/zinc/19/82/80/572198280.db2.gz IZKMLLCYOSGYIL-UHFFFAOYSA-N 0 0 182.248 2.093 10 0 AEAERN Cc1cc(C)cc(-n2ccc(N)n2)c1 19732215 572198283 /nfs/dbraw/zinc/19/82/83/572198283.db2.gz IRZNCUCHQCTOFH-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN C[C@@H]1CCc2cc(NN)sc2C1 36224411 572198296 /nfs/dbraw/zinc/19/82/96/572198296.db2.gz OYOFYFRYEQPSHO-ZCFIWIBFSA-N 0 0 182.292 2.159 10 0 AEAERN C[C@@H](ON)c1ccc(Cl)cc1 19728754 572198530 /nfs/dbraw/zinc/19/85/30/572198530.db2.gz PAZJIAFPIZYYNS-ZCFIWIBFSA-N 0 0 171.627 2.291 10 0 AEAERN C[C@@H](c1ccncc1)n1cccc1 43531683 572198550 /nfs/dbraw/zinc/19/85/50/572198550.db2.gz ZEVDEAJNQDFDGH-JTQLQIEISA-N 0 0 172.231 2.492 10 0 AEAERN CCc1ccc([C@@H](C)NO)cc1 19728774 572198568 /nfs/dbraw/zinc/19/85/68/572198568.db2.gz LHHQTEINEINMEZ-MRVPVSSYSA-N 0 0 165.236 2.289 10 0 AEAERN CCc1c(C)sc2nc(C=O)cn12 19767965 572198864 /nfs/dbraw/zinc/19/88/64/572198864.db2.gz MJKRANKUUVXOJJ-UHFFFAOYSA-N 0 0 194.259 2.079 10 0 AEAERN C/C=C/CCNc1cnnn1CCC 300973549 572198868 /nfs/dbraw/zinc/19/88/68/572198868.db2.gz RAGVWLXAGHSMBH-HWKANZROSA-N 0 0 194.282 2.066 10 0 AEAERN Cc1ccc([C@@H](C)NO)cc1C 19728780 572198897 /nfs/dbraw/zinc/19/88/97/572198897.db2.gz LFJYWPLDDVSOPO-SECBINFHSA-N 0 0 165.236 2.343 10 0 AEAERN CCC[C@@H](C)c1cc(CCO)on1 83187253 572198902 /nfs/dbraw/zinc/19/89/02/572198902.db2.gz AKRFSNBZDVJIPS-MRVPVSSYSA-N 0 0 183.251 2.113 10 0 AEAERN C[C@H](c1ccncc1)n1cccc1 43531686 572198936 /nfs/dbraw/zinc/19/89/36/572198936.db2.gz ZEVDEAJNQDFDGH-SNVBAGLBSA-N 0 0 172.231 2.492 10 0 AEAERN Cc1cc([C@@H](C)ON)ccc1F 19728760 572198977 /nfs/dbraw/zinc/19/89/77/572198977.db2.gz HCXYOQFODWHHIC-SSDOTTSWSA-N 0 0 169.199 2.085 10 0 AEAERN CC[C@H]1CNc2cc(OC)ccc2O1 36220525 572199045 /nfs/dbraw/zinc/19/90/45/572199045.db2.gz BWWUMLNMYDIBKE-QMMMGPOBSA-N 0 0 193.246 2.278 10 0 AEAERN Cc1cccc(CN(C=O)C2CC2)c1 83145008 572199321 /nfs/dbraw/zinc/19/93/21/572199321.db2.gz BUGUMTWOCOBXDG-UHFFFAOYSA-N 0 0 189.258 2.116 10 0 AEAERN Cc1ccc(Cc2cnoc2N)cc1 19785772 572199368 /nfs/dbraw/zinc/19/93/68/572199368.db2.gz HWVCGAFSHCLROS-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN CCCC[C@H](C)[C@@H](CC1CC1)NN 300974406 572199371 /nfs/dbraw/zinc/19/93/71/572199371.db2.gz SMNHGPFSDKPQDX-GXSJLCMTSA-N 0 0 184.327 2.445 10 0 AEAERN CCC(=O)c1ccc2c(c1)NCCO2 36182154 572199387 /nfs/dbraw/zinc/19/93/87/572199387.db2.gz VPZXHXKTJHSQHY-UHFFFAOYSA-N 0 0 191.230 2.084 10 0 AEAERN CC(C)SCCN1CCSC1 687712207 572199394 /nfs/dbraw/zinc/19/93/94/572199394.db2.gz WDORPMHRTFZURG-UHFFFAOYSA-N 0 0 191.365 2.134 10 0 AEAERN CCCCCN(C=O)C(C)C 83145066 572199397 /nfs/dbraw/zinc/19/93/97/572199397.db2.gz RLUQOLLKYSWWHC-UHFFFAOYSA-N 0 0 157.257 2.043 10 0 AEAERN CCCC[C@H](C)[C@H](CC1CC1)NN 300974409 572199428 /nfs/dbraw/zinc/19/94/28/572199428.db2.gz SMNHGPFSDKPQDX-ONGXEEELSA-N 0 0 184.327 2.445 10 0 AEAERN Cc1cc(N)c2nc(C(C)C)cn2c1 36242335 572199466 /nfs/dbraw/zinc/19/94/66/572199466.db2.gz QLNYKTYGOZFNOI-UHFFFAOYSA-N 0 0 189.262 2.348 10 0 AEAERN CC(C)C(=O)Nc1ccc(=S)[nH]c1 36222364 572199494 /nfs/dbraw/zinc/19/94/94/572199494.db2.gz HRARDFWBDINRFW-UHFFFAOYSA-N 0 0 196.275 2.339 10 0 AEAERN CCCC[C@@H](C)[C@@H](CC1CC1)NN 300974408 572199504 /nfs/dbraw/zinc/19/95/04/572199504.db2.gz SMNHGPFSDKPQDX-MWLCHTKSSA-N 0 0 184.327 2.445 10 0 AEAERN CC(C)C[C@@H](O)c1ccc(N)cc1 19780055 572199508 /nfs/dbraw/zinc/19/95/08/572199508.db2.gz NQZXSAKNKBJQEQ-LLVKDONJSA-N 0 0 179.263 2.348 10 0 AEAERN Cc1ccc(NC#N)cc1C 39631670 572199695 /nfs/dbraw/zinc/19/96/95/572199695.db2.gz NYZFCEFPCDHZGJ-UHFFFAOYSA-N 0 0 146.193 2.196 10 0 AEAERN CC(=O)N(Cc1ccc(C)o1)C(C)C 70227169 572200595 /nfs/dbraw/zinc/20/05/95/572200595.db2.gz RJRQYIJSRHHYAZ-UHFFFAOYSA-N 0 0 195.262 2.345 10 0 AEAERN CC(C)c1csc2ncc(CO)n12 36255230 572200019 /nfs/dbraw/zinc/20/00/19/572200019.db2.gz ZVTRWFCRIFDQCR-UHFFFAOYSA-N 0 0 196.275 2.012 10 0 AEAERN CCN(C=O)Cc1ccccc1Cl 83145022 572200028 /nfs/dbraw/zinc/20/00/28/572200028.db2.gz VHEUQJKUKWLAPZ-UHFFFAOYSA-N 0 0 197.665 2.318 10 0 AEAERN CCN[C@H](C)c1nc(C2CCC2)no1 83137302 572200055 /nfs/dbraw/zinc/20/00/55/572200055.db2.gz YTZHXEDURSVYQQ-SSDOTTSWSA-N 0 0 195.266 2.008 10 0 AEAERN CCOC(=O)N[C@H](CC)C(C)C 70228313 572200087 /nfs/dbraw/zinc/20/00/87/572200087.db2.gz DYZBXPKEPCTAOO-MRVPVSSYSA-N 0 0 173.256 2.167 10 0 AEAERN CC(C)CCCCCCNC=O 83145091 572200111 /nfs/dbraw/zinc/20/01/11/572200111.db2.gz MTFOFHWSSLSVOE-UHFFFAOYSA-N 0 0 171.284 2.339 10 0 AEAERN CCC(=O)N(C)C(CC)CC 70226918 572200145 /nfs/dbraw/zinc/20/01/45/572200145.db2.gz KIFVXWIGRMLRNA-UHFFFAOYSA-N 0 0 157.257 2.043 10 0 AEAERN CCC[C@@H](CC)NC(=O)OCC 70232719 572200149 /nfs/dbraw/zinc/20/01/49/572200149.db2.gz PLQOWUXFPCBBEJ-MRVPVSSYSA-N 0 0 173.256 2.311 10 0 AEAERN CCC[C@H](C)N(C)C(=O)OCC 70226651 572200178 /nfs/dbraw/zinc/20/01/78/572200178.db2.gz PGQIZBSZPNGUJN-QMMMGPOBSA-N 0 0 173.256 2.263 10 0 AEAERN CCC[C@@H](NC=O)c1ccccc1 83145157 572200191 /nfs/dbraw/zinc/20/01/91/572200191.db2.gz JYJDLUTZOVMMRF-LLVKDONJSA-N 0 0 177.247 2.274 10 0 AEAERN Cc1cccc(Cc2cnoc2N)c1 19785771 572200192 /nfs/dbraw/zinc/20/01/92/572200192.db2.gz AMBGVQGVYXJYHT-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN CCONCc1cc(C)sc1C 109497493 572200215 /nfs/dbraw/zinc/20/02/15/572200215.db2.gz SJDQMQYAOGBRCG-UHFFFAOYSA-N 0 0 185.292 2.406 10 0 AEAERN CCC(CC)N(C=O)CC(F)(F)F 83145394 572200277 /nfs/dbraw/zinc/20/02/77/572200277.db2.gz XXXAIQBIDNYPLP-UHFFFAOYSA-N 0 0 197.200 2.196 10 0 AEAERN CC(C)c1ccc(CN(C)C=O)cc1 83144972 572200365 /nfs/dbraw/zinc/20/03/65/572200365.db2.gz HUWBTUHXVJZNMZ-UHFFFAOYSA-N 0 0 191.274 2.398 10 0 AEAERN CCOCCCC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 689406934 572200367 /nfs/dbraw/zinc/20/03/67/572200367.db2.gz JRVHDMACKFDLMY-JGPRNRPPSA-N 0 0 196.290 2.418 10 0 AEAERN C/C=C\CNCC(F)(F)C(F)F 393350457 572200403 /nfs/dbraw/zinc/20/04/03/572200403.db2.gz XIXLFRVATABKQG-IHWYPQMZSA-N 0 0 185.164 2.053 10 0 AEAERN CCN(C=O)Cc1cccc(Cl)c1 83145021 572200449 /nfs/dbraw/zinc/20/04/49/572200449.db2.gz VALAJJHAQZDPRW-UHFFFAOYSA-N 0 0 197.665 2.318 10 0 AEAERN CN(C(=O)Oc1ccccc1)C1CC1 70226654 572200459 /nfs/dbraw/zinc/20/04/59/572200459.db2.gz AWSIWJGAXUDTIJ-UHFFFAOYSA-N 0 0 191.230 2.280 10 0 AEAERN C[C@H]1Nc2cc(Cl)ccc2OC1=O 36258987 572200659 /nfs/dbraw/zinc/20/06/59/572200659.db2.gz NKCOHZGTLQANTM-RXMQYKEDSA-N 0 0 197.621 2.059 10 0 AEAERN CCOC(=O)N(C)Cc1ccoc1C 70228101 572200679 /nfs/dbraw/zinc/20/06/79/572200679.db2.gz VGQHMBDVVPMYQJ-UHFFFAOYSA-N 0 0 197.234 2.176 10 0 AEAERN O=CN(Cc1ccco1)C1CCCC1 83145019 572200722 /nfs/dbraw/zinc/20/07/22/572200722.db2.gz ZJSMTVBKPBXMRT-UHFFFAOYSA-N 0 0 193.246 2.181 10 0 AEAERN CC(C)C[C@H](O)c1ccc(N)cc1 19780056 572200730 /nfs/dbraw/zinc/20/07/30/572200730.db2.gz NQZXSAKNKBJQEQ-NSHDSACASA-N 0 0 179.263 2.348 10 0 AEAERN CCOC(=O)N[C@@H](CC)C(C)C 70228312 572200894 /nfs/dbraw/zinc/20/08/94/572200894.db2.gz DYZBXPKEPCTAOO-QMMMGPOBSA-N 0 0 173.256 2.167 10 0 AEAERN CCC[C@H](NC=O)c1ccccc1 83145156 572201006 /nfs/dbraw/zinc/20/10/06/572201006.db2.gz JYJDLUTZOVMMRF-NSHDSACASA-N 0 0 177.247 2.274 10 0 AEAERN CCCCCOc1ccc(C=O)cn1 83141660 572201072 /nfs/dbraw/zinc/20/10/72/572201072.db2.gz USQWTPKQDRABSD-UHFFFAOYSA-N 0 0 193.246 2.463 10 0 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/nfs/dbraw/zinc/21/03/77/572210377.db2.gz ICOWDDIAQNRGHR-MNOVXSKESA-N 0 0 182.263 2.315 10 0 AEAERN O=C1c2ccccc2C[C@@H]2CC[C@H]12 36458897 572210425 /nfs/dbraw/zinc/21/04/25/572210425.db2.gz ZBBXTKGZMVVVBI-ONGXEEELSA-N 0 0 172.227 2.452 10 0 AEAERN COC[C@@H](C(C)C)n1cccc1 83400514 572210445 /nfs/dbraw/zinc/21/04/45/572210445.db2.gz IGXJXJUHFLOSAC-JTQLQIEISA-N 0 0 167.252 2.332 10 0 AEAERN COC[C@H](Nc1ccccn1)C(C)C 83402448 572210450 /nfs/dbraw/zinc/21/04/50/572210450.db2.gz UVXMQOLSXRYHSH-JTQLQIEISA-N 0 0 194.278 2.165 10 0 AEAERN COC[C@H](C)C(=O)c1occc1C 687795228 572210490 /nfs/dbraw/zinc/21/04/90/572210490.db2.gz SOXYOFGMCYCINB-QMMMGPOBSA-N 0 0 182.219 2.053 10 0 AEAERN C[C@@H]1C=CC(=O)N[C@H]1c1ccccc1 36459227 572210548 /nfs/dbraw/zinc/21/05/48/572210548.db2.gz YWIPGAUIVZGGOW-BXKDBHETSA-N 0 0 187.242 2.050 10 0 AEAERN COC[C@@H](Nc1ccccn1)C(C)C 83402447 572210593 /nfs/dbraw/zinc/21/05/93/572210593.db2.gz UVXMQOLSXRYHSH-SNVBAGLBSA-N 0 0 194.278 2.165 10 0 AEAERN CCC[C@@H](CC(C1CC1)C1CC1)NN 401029689 572210746 /nfs/dbraw/zinc/21/07/46/572210746.db2.gz VUEQSKMLUYBXLU-NSHDSACASA-N 0 0 196.338 2.445 10 0 AEAERN Cc1ccc2nc(F)c(C=O)cc2c1 36448396 572210758 /nfs/dbraw/zinc/21/07/58/572210758.db2.gz FEUSSRIBUBREQU-UHFFFAOYSA-N 0 0 189.189 2.495 10 0 AEAERN c1coc([C@@H]2OCCS2)c1 36455778 572210786 /nfs/dbraw/zinc/21/07/86/572210786.db2.gz UIUKWKHPHFBJPG-SSDOTTSWSA-N 0 0 156.206 2.042 10 0 AEAERN CC(C)(CO)COc1ccccc1F 41209346 572211286 /nfs/dbraw/zinc/21/12/86/572211286.db2.gz QGFXTMNQRLMESK-UHFFFAOYSA-N 0 0 198.237 2.223 10 0 AEAERN COC[C@@H](C)C(=O)c1occc1C 687795227 572211015 /nfs/dbraw/zinc/21/10/15/572211015.db2.gz SOXYOFGMCYCINB-MRVPVSSYSA-N 0 0 182.219 2.053 10 0 AEAERN Cc1ccc(-c2ccc(N)c(C)n2)cn1 235896996 572211032 /nfs/dbraw/zinc/21/10/32/572211032.db2.gz HBIUECCXPSELAA-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN C[C@H]1Oc2ccccc2NC1=S 36448241 572211287 /nfs/dbraw/zinc/21/12/87/572211287.db2.gz IHILERIJXPYKFR-ZCFIWIBFSA-N 0 0 179.244 2.207 10 0 AEAERN CSC1=CCC(C)(C)[C@H]1O 36447984 572211128 /nfs/dbraw/zinc/21/11/28/572211128.db2.gz DOQBLTOGBPHAQY-ZETCQYMHSA-N 0 0 158.266 2.024 10 0 AEAERN Cc1cccc2c1[C@H](CO)CCC2 36448197 572211153 /nfs/dbraw/zinc/21/11/53/572211153.db2.gz CCXCYNCOEVWYRQ-NSHDSACASA-N 0 0 176.259 2.407 10 0 AEAERN C[C@H](/C=C/c1ccccc1)CO 20232572 572211280 /nfs/dbraw/zinc/21/12/80/572211280.db2.gz ICQGZSWKLHHNPD-QROSGCPLSA-N 0 0 162.232 2.328 10 0 AEAERN C=C=C[C@@H](O)c1ccc(OC)cc1 36458979 572211156 /nfs/dbraw/zinc/21/11/56/572211156.db2.gz AKOZPZIVSQXNQH-LLVKDONJSA-N 0 0 176.215 2.070 10 0 AEAERN Nc1ccc2c(c1N)Cc1ccccc1-2 113088608 572211112 /nfs/dbraw/zinc/21/11/12/572211112.db2.gz NVFINOHFZXRPAD-UHFFFAOYSA-N 0 0 196.253 2.422 10 0 AEAERN CO[C@@H]1CCCC[C@@H]1SC 196469146 572211383 /nfs/dbraw/zinc/21/13/83/572211383.db2.gz IUXLFSILVNJYDN-SFYZADRCSA-N 0 0 160.282 2.307 10 0 AEAERN CC1(C)CC[C@]2(C)CC(=O)[C@@H]12 196469179 572211396 /nfs/dbraw/zinc/21/13/96/572211396.db2.gz XOZQKBBZUFTCFL-WCBMZHEXSA-N 0 0 152.237 2.402 10 0 AEAERN C[C@@]12CC=C[C@]1(Cl)CCC2=O 36458868 572211436 /nfs/dbraw/zinc/21/14/36/572211436.db2.gz MDBGHXYKNIUHGJ-IUCAKERBSA-N 0 0 170.639 2.293 10 0 AEAERN C[C@@H]1Oc2ccccc2NC1=S 36448242 572211484 /nfs/dbraw/zinc/21/14/84/572211484.db2.gz IHILERIJXPYKFR-LURJTMIESA-N 0 0 179.244 2.207 10 0 AEAERN C[C@@]1(C[C@H]2CCCO2)CCC(=O)C1 687795307 572211503 /nfs/dbraw/zinc/21/15/03/572211503.db2.gz ICOWDDIAQNRGHR-GHMZBOCLSA-N 0 0 182.263 2.315 10 0 AEAERN Cc1ccc(O)c(CC(F)(F)F)n1 36456159 572211539 /nfs/dbraw/zinc/21/15/39/572211539.db2.gz ODWCZRBMNSUVEW-UHFFFAOYSA-N 0 0 191.152 2.200 10 0 AEAERN CCCCCCSC(N)=O 36455824 572211574 /nfs/dbraw/zinc/21/15/74/572211574.db2.gz IJXJRILKDAQRCP-UHFFFAOYSA-N 0 0 161.270 2.379 10 0 AEAERN CCc1c[nH]nc1-c1ccccc1N 20216414 572211681 /nfs/dbraw/zinc/21/16/81/572211681.db2.gz ITIGGAZACPJUOH-UHFFFAOYSA-N 0 0 187.246 2.221 10 0 AEAERN CC1=CC[C@H](C)C(=O)CC1 36455620 572211683 /nfs/dbraw/zinc/21/16/83/572211683.db2.gz JXCRGNLCWCFASJ-QMMMGPOBSA-N 0 0 138.210 2.322 10 0 AEAERN CC1=CC[C@@H](C)C(=O)CC1 36455619 572211689 /nfs/dbraw/zinc/21/16/89/572211689.db2.gz JXCRGNLCWCFASJ-MRVPVSSYSA-N 0 0 138.210 2.322 10 0 AEAERN CC[C@@H](C)Oc1ccccc1CO 20217443 572211703 /nfs/dbraw/zinc/21/17/03/572211703.db2.gz IXZTZZKMNSDBHP-SECBINFHSA-N 0 0 180.247 2.356 10 0 AEAERN CC1(C)CC[C@@]2(C)CC(=O)[C@H]12 196469142 572211779 /nfs/dbraw/zinc/21/17/79/572211779.db2.gz XOZQKBBZUFTCFL-SCZZXKLOSA-N 0 0 152.237 2.402 10 0 AEAERN CNC(=S)O[C@@H]1C=CCCCC1 36448343 572211858 /nfs/dbraw/zinc/21/18/58/572211858.db2.gz ZTYBUNGHSNVSET-MRVPVSSYSA-N 0 0 185.292 2.006 10 0 AEAERN CC(C)C(C)(C)C[C@H](O)CCCO 713231211 572211872 /nfs/dbraw/zinc/21/18/72/572211872.db2.gz VYAZWHIQZYLTIK-SNVBAGLBSA-N 0 0 188.311 2.192 10 0 AEAERN CC(C)=CC[C@H]1OC(=O)N[C@H]1C(C)C 36448547 572211918 /nfs/dbraw/zinc/21/19/18/572211918.db2.gz XWMSRDPPEPHSMZ-ZJUUUORDSA-N 0 0 197.278 2.476 10 0 AEAERN CCC[C@@H](C)[NH2+][C@H](CCC)C(=O)[O-] 83404944 572212017 /nfs/dbraw/zinc/21/20/17/572212017.db2.gz AMZSHEQDHJREJH-RKDXNWHRSA-N 0 0 187.283 2.018 10 0 AEAERN O=C1CCC[C@@]2(CCSC2)C1 36448109 572212034 /nfs/dbraw/zinc/21/20/34/572212034.db2.gz VBTSICRLOFUOAI-SECBINFHSA-N 0 0 170.277 2.253 10 0 AEAERN COc1ccc2c(c1)C=C2 36455591 572212057 /nfs/dbraw/zinc/21/20/57/572212057.db2.gz RCDGHUGLRZAHAC-UHFFFAOYSA-N 0 0 132.162 2.179 10 0 AEAERN COC[C@@H](O)CC(C)(C)C(C)C 713230097 572212758 /nfs/dbraw/zinc/21/27/58/572212758.db2.gz QTOFWEXBVTXQCW-VIFPVBQESA-N 0 0 174.284 2.066 10 0 AEAERN CC(C)C(C)(C)C[C@@H](O)CCCO 713230879 572212196 /nfs/dbraw/zinc/21/21/96/572212196.db2.gz VYAZWHIQZYLTIK-JTQLQIEISA-N 0 0 188.311 2.192 10 0 AEAERN Cc1ccc(S[C@@H](C)CO)cc1 36459126 572212227 /nfs/dbraw/zinc/21/22/27/572212227.db2.gz PQLOGQQOSRJODI-VIFPVBQESA-N 0 0 182.288 2.468 10 0 AEAERN O=c1ccoc(Cc2ccccc2)c1 36466719 572213663 /nfs/dbraw/zinc/21/36/63/572213663.db2.gz BOUHFUZGDCMIBB-UHFFFAOYSA-N 0 0 186.210 2.231 10 0 AEAERN CC1=CC[C@@]23C=CC[C@@H](C[C@H]12)C3=O 36458939 572212257 /nfs/dbraw/zinc/21/22/57/572212257.db2.gz PFIOODSALBXKPT-UMNHJUIQSA-N 0 0 174.243 2.488 10 0 AEAERN CCC[C@H](C)[NH2+][C@H](CCC)C(=O)[O-] 83404946 572212375 /nfs/dbraw/zinc/21/23/75/572212375.db2.gz AMZSHEQDHJREJH-DTWKUNHWSA-N 0 0 187.283 2.018 10 0 AEAERN CCC[C@H]([NH2+][C@H](CC)C1CC1)C(=O)[O-] 83404584 572212510 /nfs/dbraw/zinc/21/25/10/572212510.db2.gz PYRFRUTUHMDGQX-ZJUUUORDSA-N 0 0 199.294 2.018 10 0 AEAERN C[C@@H]1CC[C@@]2(C)CC(=O)[C@@H]2C1 196469207 572212558 /nfs/dbraw/zinc/21/25/58/572212558.db2.gz CWZAXAXPPVHGNZ-WEDXCCLWSA-N 0 0 152.237 2.402 10 0 AEAERN C1CC[C@@H]2S[C@@H]2CC1 36466099 572212614 /nfs/dbraw/zinc/21/26/14/572212614.db2.gz JSFXOWVGCJQHLJ-KNVOCYPGSA-N 0 0 128.240 2.435 10 0 AEAERN CCCC[C@@H]1C=C[C@H](O)C1 196468735 572212724 /nfs/dbraw/zinc/21/27/24/572212724.db2.gz QELOUGGDDANVNK-BDAKNGLRSA-N 0 0 140.226 2.114 10 0 AEAERN CCCC[C@H]1C=C[C@@H](O)C1 196468709 572212746 /nfs/dbraw/zinc/21/27/46/572212746.db2.gz QELOUGGDDANVNK-DTWKUNHWSA-N 0 0 140.226 2.114 10 0 AEAERN CC12C=CC(C=C1)CCC2=O 196467546 572212751 /nfs/dbraw/zinc/21/27/51/572212751.db2.gz STVNBMRBHVRWCD-UHFFFAOYSA-N 0 0 148.205 2.098 10 0 AEAERN Cc1cc2c(s1)C(=O)[C@@H](C)C2 36489802 572212767 /nfs/dbraw/zinc/21/27/67/572212767.db2.gz MWWYRYMDLMZFQO-YFKPBYRVSA-N 0 0 166.245 2.431 10 0 AEAERN O[C@@H]1CCCCc2occc21 196464472 572212784 /nfs/dbraw/zinc/21/27/84/572212784.db2.gz XRJGZWBJANSIQJ-MRVPVSSYSA-N 0 0 152.193 2.039 10 0 AEAERN CCc1cccc(OC)c1C=O 36489809 572212818 /nfs/dbraw/zinc/21/28/18/572212818.db2.gz MEEZVBBMMLYFQN-UHFFFAOYSA-N 0 0 164.204 2.070 10 0 AEAERN CC1(C)CC[C@]2(C)CC(=O)[C@H]12 196469153 572212873 /nfs/dbraw/zinc/21/28/73/572212873.db2.gz XOZQKBBZUFTCFL-PSASIEDQSA-N 0 0 152.237 2.402 10 0 AEAERN CCC[C@H]([NH2+][C@H](C)CCC)C(=O)[O-] 83404942 572212922 /nfs/dbraw/zinc/21/29/22/572212922.db2.gz AMZSHEQDHJREJH-BDAKNGLRSA-N 0 0 187.283 2.018 10 0 AEAERN CCONCc1ccccc1C 70267537 572212938 /nfs/dbraw/zinc/21/29/38/572212938.db2.gz AQCOCHOCHYSTBF-UHFFFAOYSA-N 0 0 165.236 2.036 10 0 AEAERN COCc1ccc2c(c1)CCCN2 20247843 572212945 /nfs/dbraw/zinc/21/29/45/572212945.db2.gz MYUWQFPWQYACDY-UHFFFAOYSA-N 0 0 177.247 2.191 10 0 AEAERN COC[C@H](O)CC(C)(C)C(C)C 713230095 572212950 /nfs/dbraw/zinc/21/29/50/572212950.db2.gz QTOFWEXBVTXQCW-SECBINFHSA-N 0 0 174.284 2.066 10 0 AEAERN CN[C@@H](Cc1ccoc1)C(C)(F)F 393359969 572212962 /nfs/dbraw/zinc/21/29/62/572212962.db2.gz TXUFLTNUXSONJK-QMMMGPOBSA-N 0 0 189.205 2.065 10 0 AEAERN CC1C[C@@H](C)C(CO)[C@H](C)C1 20233032 572212995 /nfs/dbraw/zinc/21/29/95/572212995.db2.gz CRBABKUHZTZOJD-DSAQSWLYSA-N 0 0 156.269 2.297 10 0 AEAERN Cc1coc2c1[C@@H](O)CCCC2 196464600 572213021 /nfs/dbraw/zinc/21/30/21/572213021.db2.gz NKMPDUPSHIPDCM-QMMMGPOBSA-N 0 0 166.220 2.348 10 0 AEAERN CC1(C)CC[C@@]2(C)CC(=O)[C@@H]12 196469165 572213059 /nfs/dbraw/zinc/21/30/59/572213059.db2.gz XOZQKBBZUFTCFL-WPRPVWTQSA-N 0 0 152.237 2.402 10 0 AEAERN CCONCc1cc(C)ccc1C 70267534 572213943 /nfs/dbraw/zinc/21/39/43/572213943.db2.gz MPTROXBLHKOYHQ-UHFFFAOYSA-N 0 0 179.263 2.345 10 0 AEAERN CCONCc1cc(C)cc(C)c1 70267575 572213944 /nfs/dbraw/zinc/21/39/44/572213944.db2.gz XAPNHTZBCUFBFO-UHFFFAOYSA-N 0 0 179.263 2.345 10 0 AEAERN O[C@H]1CCCCCc2occc21 196464505 572213126 /nfs/dbraw/zinc/21/31/26/572213126.db2.gz RMKGPPKICPQPFS-VIFPVBQESA-N 0 0 166.220 2.430 10 0 AEAERN CC1(C)C[C@H]2[C@@H](C1)C(=O)OC2(C)C 43762308 572213181 /nfs/dbraw/zinc/21/31/81/572213181.db2.gz FZYYPJBMFLTQOI-SFYZADRCSA-N 0 0 182.263 2.374 10 0 AEAERN CC(C)(C)C(=O)Oc1cccc(N)c1 36466865 572213200 /nfs/dbraw/zinc/21/32/00/572213200.db2.gz FFQYYRYSKOPMBQ-UHFFFAOYSA-N 0 0 193.246 2.220 10 0 AEAERN CCONCc1cccc(Cl)c1 70267542 572213952 /nfs/dbraw/zinc/21/39/52/572213952.db2.gz UXGLVTSMOUKXGS-UHFFFAOYSA-N 0 0 185.654 2.381 10 0 AEAERN Cc1ccc2c(c1)CC(=O)[C@H]2C 36466332 572213296 /nfs/dbraw/zinc/21/32/96/572213296.db2.gz GUIYYEZQNGQJNW-QMMMGPOBSA-N 0 0 160.216 2.224 10 0 AEAERN O=C1CC[C@]23C=CC[C@H]2CC[C@@H]13 43762620 572213357 /nfs/dbraw/zinc/21/33/57/572213357.db2.gz FTWREBQOPBMIFM-ATZCPNFKSA-N 0 0 162.232 2.322 10 0 AEAERN CCONCc1ccc(C)cc1 70267545 572213377 /nfs/dbraw/zinc/21/33/77/572213377.db2.gz SXYHOHMQELUCGY-UHFFFAOYSA-N 0 0 165.236 2.036 10 0 AEAERN CCONCc1cccc(F)c1F 70267588 572213411 /nfs/dbraw/zinc/21/34/11/572213411.db2.gz KVXQQVWMIISWCR-UHFFFAOYSA-N 0 0 187.189 2.006 10 0 AEAERN CCONCc1cc(C)ccc1OC 70267580 572213417 /nfs/dbraw/zinc/21/34/17/572213417.db2.gz HMEUYHOHSLSLIK-UHFFFAOYSA-N 0 0 195.262 2.045 10 0 AEAERN CCCC[C@@H]1C=C[C@@H](O)C1 196468720 572213442 /nfs/dbraw/zinc/21/34/42/572213442.db2.gz QELOUGGDDANVNK-RKDXNWHRSA-N 0 0 140.226 2.114 10 0 AEAERN CCC[C@H](C)[N@@H+]1CCCC[C@@H]1C(=O)[O-] 83404311 572213451 /nfs/dbraw/zinc/21/34/51/572213451.db2.gz VDTQEOSKDDBRPK-VHSXEESVSA-N 0 0 199.294 2.114 10 0 AEAERN Cc1ccc2c(c1)CC(=O)[C@@H]2C 36466331 572213958 /nfs/dbraw/zinc/21/39/58/572213958.db2.gz GUIYYEZQNGQJNW-MRVPVSSYSA-N 0 0 160.216 2.224 10 0 AEAERN O[C@H]1CCCCc2occc21 196464482 572213460 /nfs/dbraw/zinc/21/34/60/572213460.db2.gz XRJGZWBJANSIQJ-QMMMGPOBSA-N 0 0 152.193 2.039 10 0 AEAERN CCC(=O)c1cc(C(C)=O)ccc1O 36466831 572213468 /nfs/dbraw/zinc/21/34/68/572213468.db2.gz XQHZFCGIGBGNQX-UHFFFAOYSA-N 0 0 192.214 2.188 10 0 AEAERN CCONCc1cccc(C)c1 70267574 572213488 /nfs/dbraw/zinc/21/34/88/572213488.db2.gz TYMYOWYBQBOQNS-UHFFFAOYSA-N 0 0 165.236 2.036 10 0 AEAERN O[C@@H]1CCCCCc2occc21 196464494 572213575 /nfs/dbraw/zinc/21/35/75/572213575.db2.gz RMKGPPKICPQPFS-SECBINFHSA-N 0 0 166.220 2.430 10 0 AEAERN CCC[C@H](C)[NH2+][C@@H](CCC)C(=O)[O-] 83404943 572213578 /nfs/dbraw/zinc/21/35/78/572213578.db2.gz AMZSHEQDHJREJH-IUCAKERBSA-N 0 0 187.283 2.018 10 0 AEAERN Cc1coc2c1[C@H](O)CCCC2 196464587 572213595 /nfs/dbraw/zinc/21/35/95/572213595.db2.gz NKMPDUPSHIPDCM-MRVPVSSYSA-N 0 0 166.220 2.348 10 0 AEAERN C[C@@]12C=C[C@@](C)(CC1)C(=O)C2 196464114 572213671 /nfs/dbraw/zinc/21/36/71/572213671.db2.gz SMLMLUXFNGKSJJ-ZJUUUORDSA-N 0 0 150.221 2.322 10 0 AEAERN c1ccc(-c2ncns2)cc1 36466360 572213674 /nfs/dbraw/zinc/21/36/74/572213674.db2.gz LQIITQSGYNMPGU-UHFFFAOYSA-N 0 0 162.217 2.205 10 0 AEAERN O[C@@H](C1=CCCC1)c1ccco1 36466366 572213871 /nfs/dbraw/zinc/21/38/71/572213871.db2.gz HSVBTIUIXBEBIM-JTQLQIEISA-N 0 0 164.204 2.423 10 0 AEAERN CC1(C)CC(=O)CC[C@]1(C)CCO 196211599 572216753 /nfs/dbraw/zinc/21/67/53/572216753.db2.gz SCABARDUXZRJRV-LLVKDONJSA-N 0 0 184.279 2.154 10 0 AEAERN O[C@H](C1=CCCC1)c1ccco1 36466365 572214043 /nfs/dbraw/zinc/21/40/43/572214043.db2.gz HSVBTIUIXBEBIM-SNVBAGLBSA-N 0 0 164.204 2.423 10 0 AEAERN CC1(C)CC=CCCC1=O 196473653 572214084 /nfs/dbraw/zinc/21/40/84/572214084.db2.gz JFVGUKIBHULTGL-UHFFFAOYSA-N 0 0 138.210 2.322 10 0 AEAERN CC(C)(C)C[C@@]1(O)CO[C@H](C2CC2)C1 713230268 572214136 /nfs/dbraw/zinc/21/41/36/572214136.db2.gz RZUPHOGTBJGAKA-CMPLNLGQSA-N 0 0 198.306 2.353 10 0 AEAERN CC(C)(C)C[C@]1(O)CO[C@H](C2CC2)C1 713230272 572214937 /nfs/dbraw/zinc/21/49/37/572214937.db2.gz RZUPHOGTBJGAKA-JQWIXIFHSA-N 0 0 198.306 2.353 10 0 AEAERN 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O[C@H]1CC=CC[C@@H]1c1ccccc1 196479094 572214510 /nfs/dbraw/zinc/21/45/10/572214510.db2.gz CBVABDHVDAMVMX-NEPJUHHUSA-N 0 0 174.243 2.481 10 0 AEAERN CCONC/C=C/c1ccccc1 70267536 572214519 /nfs/dbraw/zinc/21/45/19/572214519.db2.gz LIUTYBBXQIANJB-RMKNXTFCSA-N 0 0 177.247 2.241 10 0 AEAERN Cc1cccc2c1[C@H](CO)CC2 196476261 572214525 /nfs/dbraw/zinc/21/45/25/572214525.db2.gz GZGQSWGCJGIMIO-JTQLQIEISA-N 0 0 162.232 2.017 10 0 AEAERN Cc1ccc(C)c(C(=O)[O-])c1[N+]#N 196479545 572214528 /nfs/dbraw/zinc/21/45/28/572214528.db2.gz TYKBUMGEJBULMW-UHFFFAOYSA-O 0 0 177.183 2.486 10 0 AEAERN Clc1cnc2c(c1)CC=C2 196478748 572214535 /nfs/dbraw/zinc/21/45/35/572214535.db2.gz FLHAWTFTSLFKRK-UHFFFAOYSA-N 0 0 151.596 2.304 10 0 AEAERN CCCCC(=O)CCCOC 83439075 572214548 /nfs/dbraw/zinc/21/45/48/572214548.db2.gz ZWVUPSHHVBUWIU-UHFFFAOYSA-N 0 0 158.241 2.172 10 0 AEAERN O=C1CCCC[C@H]1[C@@H]1CCCC[C@H]1O 36466945 572214550 /nfs/dbraw/zinc/21/45/50/572214550.db2.gz OZXHEKGPPPWDHZ-GARJFASQSA-N 0 0 196.290 2.297 10 0 AEAERN CCCCC[C@H](O)CCCOC 83439160 572214551 /nfs/dbraw/zinc/21/45/51/572214551.db2.gz PSFSXSFENMLBSF-JTQLQIEISA-N 0 0 174.284 2.354 10 0 AEAERN CC(C)CSC[C@H](O)C(F)F 687712861 572214578 /nfs/dbraw/zinc/21/45/78/572214578.db2.gz KNHNLOCRJHBAPF-LURJTMIESA-N 0 0 184.251 2.002 10 0 AEAERN COCCC[C@H](O)CC1CCCC1 83439134 572214597 /nfs/dbraw/zinc/21/45/97/572214597.db2.gz UUAPIRLMNTVALR-NSHDSACASA-N 0 0 186.295 2.354 10 0 AEAERN O[C@@H]1CC=CC[C@@H]1c1ccccc1 196479118 572214711 /nfs/dbraw/zinc/21/47/11/572214711.db2.gz CBVABDHVDAMVMX-VXGBXAGGSA-N 0 0 174.243 2.481 10 0 AEAERN COCCCC(=O)CCC(F)(F)F 83439106 572214707 /nfs/dbraw/zinc/21/47/07/572214707.db2.gz OWJVCYFHPZXREL-UHFFFAOYSA-N 0 0 198.184 2.325 10 0 AEAERN Cc1ccc(OCC(C)(C)CO)cc1 41206757 572214713 /nfs/dbraw/zinc/21/47/13/572214713.db2.gz TWMBECRFYWOOFU-UHFFFAOYSA-N 0 0 194.274 2.392 10 0 AEAERN CC(C)(C)C[C@@]1(O)CO[C@@H](C2CC2)C1 713230277 572214720 /nfs/dbraw/zinc/21/47/20/572214720.db2.gz RZUPHOGTBJGAKA-ZYHUDNBSSA-N 0 0 198.306 2.353 10 0 AEAERN CCC[C@H](C)O[C@H](C)C(C)=O 687712874 572214851 /nfs/dbraw/zinc/21/48/51/572214851.db2.gz VUWONRVSLRRQON-IONNQARKSA-N 0 0 158.241 2.169 10 0 AEAERN CC(C)(C)[N@H+](CCC(=O)[O-])C1CCC1 83405954 572214890 /nfs/dbraw/zinc/21/48/90/572214890.db2.gz FILOKHAYHWISSQ-UHFFFAOYSA-N 0 0 199.294 2.114 10 0 AEAERN CCC(=O)[C@H]1S[C@H]2C=C[C@@H]1C2 196473803 572214902 /nfs/dbraw/zinc/21/49/02/572214902.db2.gz NMYZAXMKNYEBNC-FJXKBIBVSA-N 0 0 168.261 2.026 10 0 AEAERN OCc1c2n(c3ccccc13)CCC2 196477979 572214934 /nfs/dbraw/zinc/21/49/34/572214934.db2.gz XFYGCVAWQJMOTD-UHFFFAOYSA-N 0 0 187.242 2.080 10 0 AEAERN CC[C@H](C)C[C@H](O)CCCOC 83439286 572214948 /nfs/dbraw/zinc/21/49/48/572214948.db2.gz KUYOLMQNWJDNHW-VHSXEESVSA-N 0 0 174.284 2.210 10 0 AEAERN CC(C)(C)C[C@]1(O)CO[C@@H](C2CC2)C1 713230275 572215302 /nfs/dbraw/zinc/21/53/02/572215302.db2.gz RZUPHOGTBJGAKA-PWSUYJOCSA-N 0 0 198.306 2.353 10 0 AEAERN CC(C)O[C@H]1CCCC(C)(C)[C@H]1O 687795501 572215007 /nfs/dbraw/zinc/21/50/07/572215007.db2.gz ALMPEISFAXUBFR-UWVGGRQHSA-N 0 0 186.295 2.351 10 0 AEAERN CC(C)O[C@@H]1CCCC(C)(C)[C@H]1O 687795503 572215057 /nfs/dbraw/zinc/21/50/57/572215057.db2.gz ALMPEISFAXUBFR-ZJUUUORDSA-N 0 0 186.295 2.351 10 0 AEAERN COCCCC(=O)Cc1ccsc1 83439040 572215245 /nfs/dbraw/zinc/21/52/45/572215245.db2.gz PNFZAKOIXVUSSZ-UHFFFAOYSA-N 0 0 198.287 2.286 10 0 AEAERN COC1=NCc2ccccc2N[C@@H]1C 196478413 572215276 /nfs/dbraw/zinc/21/52/76/572215276.db2.gz CAVJMFMNCQQUQB-MRVPVSSYSA-N 0 0 190.246 2.046 10 0 AEAERN CC(C)=C[C@@H](O)CNc1ccccc1 196476880 572215315 /nfs/dbraw/zinc/21/53/15/572215315.db2.gz QIWXMCAQJUEXSB-GFCCVEGCSA-N 0 0 191.274 2.426 10 0 AEAERN C[C@@H]1CCC[C@@]1(O)C[C@H]1CCCO1 687795639 572215327 /nfs/dbraw/zinc/21/53/27/572215327.db2.gz SNMDLGAXRWSUJC-GMTAPVOTSA-N 0 0 184.279 2.107 10 0 AEAERN Cc1cscc1[C@H](O)C(F)F 687712885 572215349 /nfs/dbraw/zinc/21/53/49/572215349.db2.gz ZBRPHCHQMCUCIL-LURJTMIESA-N 0 0 178.203 2.355 10 0 AEAERN CC[C@@H](C)CC(=O)CCCOC 83439095 572215449 /nfs/dbraw/zinc/21/54/49/572215449.db2.gz BGKRCTKUWBILGS-SECBINFHSA-N 0 0 172.268 2.418 10 0 AEAERN O[C@H]1CC=CC[C@H]1c1ccccc1 196479089 572215464 /nfs/dbraw/zinc/21/54/64/572215464.db2.gz CBVABDHVDAMVMX-RYUDHWBXSA-N 0 0 174.243 2.481 10 0 AEAERN CC[C@@H](C)C[C@@H](O)CCCOC 83439288 572215534 /nfs/dbraw/zinc/21/55/34/572215534.db2.gz KUYOLMQNWJDNHW-ZJUUUORDSA-N 0 0 174.284 2.210 10 0 AEAERN CC[C@H](C)CC(=O)CCCOC 83439096 572215627 /nfs/dbraw/zinc/21/56/27/572215627.db2.gz BGKRCTKUWBILGS-VIFPVBQESA-N 0 0 172.268 2.418 10 0 AEAERN CC(C)O[C@@H]1CCCC(C)(C)[C@@H]1O 687795500 572215637 /nfs/dbraw/zinc/21/56/37/572215637.db2.gz ALMPEISFAXUBFR-NXEZZACHSA-N 0 0 186.295 2.351 10 0 AEAERN O[C@@H]1CC=CC[C@H]1c1ccccc1 196479107 572215647 /nfs/dbraw/zinc/21/56/47/572215647.db2.gz CBVABDHVDAMVMX-NWDGAFQWSA-N 0 0 174.243 2.481 10 0 AEAERN CC(C)CSC[C@@H](O)C(F)F 687712862 572215708 /nfs/dbraw/zinc/21/57/08/572215708.db2.gz KNHNLOCRJHBAPF-ZCFIWIBFSA-N 0 0 184.251 2.002 10 0 AEAERN Cc1cccc2c1[C@@H](CO)CC2 196476292 572215753 /nfs/dbraw/zinc/21/57/53/572215753.db2.gz GZGQSWGCJGIMIO-SNVBAGLBSA-N 0 0 162.232 2.017 10 0 AEAERN C[C@@H]1CCC[C@]1(O)C[C@H]1CCCO1 687795640 572215770 /nfs/dbraw/zinc/21/57/70/572215770.db2.gz SNMDLGAXRWSUJC-MXWKQRLJSA-N 0 0 184.279 2.107 10 0 AEAERN CC(C)O[C@H]1CCCC(C)(C)[C@@H]1O 687795502 572215796 /nfs/dbraw/zinc/21/57/96/572215796.db2.gz ALMPEISFAXUBFR-VHSXEESVSA-N 0 0 186.295 2.351 10 0 AEAERN C=C/C(C)=C/CCC(C)=O 196474446 572215799 /nfs/dbraw/zinc/21/57/99/572215799.db2.gz HFHPKUFTBXCZTD-SOFGYWHQSA-N 0 0 138.210 2.488 10 0 AEAERN CCCCC[C@@H](O)CCCOC 83439161 572215802 /nfs/dbraw/zinc/21/58/02/572215802.db2.gz PSFSXSFENMLBSF-SNVBAGLBSA-N 0 0 174.284 2.354 10 0 AEAERN Clc1cnc2c(c1)C=CC2 196478762 572215880 /nfs/dbraw/zinc/21/58/80/572215880.db2.gz UUAJBXHJJCEHMI-UHFFFAOYSA-N 0 0 151.596 2.304 10 0 AEAERN O=CCc1c(F)cccc1F 687712857 572216041 /nfs/dbraw/zinc/21/60/41/572216041.db2.gz ITULFBRWFHVBBH-SNAWJCMRSA-N 0 0 156.131 2.494 10 0 AEAERN O=c1ccoc(-c2cccs2)c1 196475890 572216073 /nfs/dbraw/zinc/21/60/73/572216073.db2.gz QOAJFDDZZLCTIQ-UHFFFAOYSA-N 0 0 178.212 2.368 10 0 AEAERN Cc1cscc1[C@@H](O)C(F)F 687712886 572216099 /nfs/dbraw/zinc/21/60/99/572216099.db2.gz ZBRPHCHQMCUCIL-ZCFIWIBFSA-N 0 0 178.203 2.355 10 0 AEAERN C[C@]12CC=C[C@@H]1CCCC2=O 196213012 572216124 /nfs/dbraw/zinc/21/61/24/572216124.db2.gz ROEATPDVISKQJB-WPRPVWTQSA-N 0 0 150.221 2.322 10 0 AEAERN CCC[C@H](C)O[C@@H](C)C(C)=O 687712873 572216208 /nfs/dbraw/zinc/21/62/08/572216208.db2.gz VUWONRVSLRRQON-CBAPKCEASA-N 0 0 158.241 2.169 10 0 AEAERN CC1([C@@H]2CCCC2=O)CC1 196208499 572216269 /nfs/dbraw/zinc/21/62/69/572216269.db2.gz PKVFYNKVHONOGY-SSDOTTSWSA-N 0 0 138.210 2.156 10 0 AEAERN C[C@@H]1CCN(C=O)c2ccccc21 196204951 572216361 /nfs/dbraw/zinc/21/63/61/572216361.db2.gz UGCOPWYXCQZVJI-SECBINFHSA-N 0 0 175.231 2.157 10 0 AEAERN C[C@@]12CC=C[C@H]1CCCC2=O 196213018 572216370 /nfs/dbraw/zinc/21/63/70/572216370.db2.gz ROEATPDVISKQJB-PSASIEDQSA-N 0 0 150.221 2.322 10 0 AEAERN CCc1ccc2c(c1)NCCO2 20269529 572216413 /nfs/dbraw/zinc/21/64/13/572216413.db2.gz SQIOKIUOUDQCCQ-UHFFFAOYSA-N 0 0 163.220 2.053 10 0 AEAERN CCC[C@@H](C)O[C@@H](C)C(C)=O 687712872 572216420 /nfs/dbraw/zinc/21/64/20/572216420.db2.gz VUWONRVSLRRQON-APPZFPTMSA-N 0 0 158.241 2.169 10 0 AEAERN C[C@H]1CCN(C=O)c2ccccc21 196204955 572216524 /nfs/dbraw/zinc/21/65/24/572216524.db2.gz UGCOPWYXCQZVJI-VIFPVBQESA-N 0 0 175.231 2.157 10 0 AEAERN C[C@@]12CC=C[C@@H]1CCCC2=O 196213004 572216532 /nfs/dbraw/zinc/21/65/32/572216532.db2.gz ROEATPDVISKQJB-WCBMZHEXSA-N 0 0 150.221 2.322 10 0 AEAERN CCC[C@@H](C)O[C@H](C)C(C)=O 687712875 572216535 /nfs/dbraw/zinc/21/65/35/572216535.db2.gz VUWONRVSLRRQON-VXNVDRBHSA-N 0 0 158.241 2.169 10 0 AEAERN CNc1nc(Cl)c(C)c(Cl)n1 196212511 572216599 /nfs/dbraw/zinc/21/65/99/572216599.db2.gz YNKHUHKKCYHXRU-UHFFFAOYSA-N 0 0 192.049 2.134 10 0 AEAERN CC1([C@H]2CCCC2=O)CC1 196208503 572216623 /nfs/dbraw/zinc/21/66/23/572216623.db2.gz PKVFYNKVHONOGY-ZETCQYMHSA-N 0 0 138.210 2.156 10 0 AEAERN CC1(C)CC(=O)CC[C@@]1(C)CCO 196211594 572216657 /nfs/dbraw/zinc/21/66/57/572216657.db2.gz SCABARDUXZRJRV-NSHDSACASA-N 0 0 184.279 2.154 10 0 AEAERN Cc1ncc(C2CC2)nc1Cl 140438632 572216696 /nfs/dbraw/zinc/21/66/96/572216696.db2.gz AZWSNRGDBYXJCA-UHFFFAOYSA-N 0 0 168.627 2.316 10 0 AEAERN C/C(=C/C[NH2+][C@H](C)C(C)(C)C)C(=O)[O-] 235196175 572217106 /nfs/dbraw/zinc/21/71/06/572217106.db2.gz YTYRUKQZMAVYLL-JGAIRUGNSA-N 0 0 199.294 2.042 10 0 AEAERN Cc1cnn(C[C@@H](C)CC(C)C)c1N 300981941 572217130 /nfs/dbraw/zinc/21/71/30/572217130.db2.gz UHZGUBXUVJWJHO-VIFPVBQESA-N 0 0 195.310 2.456 10 0 AEAERN Cc1cnn(C[C@H](C)CC(C)C)c1N 300981940 572217162 /nfs/dbraw/zinc/21/71/62/572217162.db2.gz UHZGUBXUVJWJHO-SECBINFHSA-N 0 0 195.310 2.456 10 0 AEAERN CSc1cc(C)nc(C)c1N 140421207 572217626 /nfs/dbraw/zinc/21/76/26/572217626.db2.gz LHSQVCNGBOBLCJ-UHFFFAOYSA-N 0 0 168.265 2.003 10 0 AEAERN CCC(CC)[N@@H+]1CCC[C@@]1(C)C(=O)[O-] 83417471 572217717 /nfs/dbraw/zinc/21/77/17/572217717.db2.gz TXCMHOWPZCSYFD-NSHDSACASA-N 0 0 199.294 2.114 10 0 AEAERN CCC(CC)[N@@H+]1CCC[C@]1(C)C(=O)[O-] 83417475 572217819 /nfs/dbraw/zinc/21/78/19/572217819.db2.gz TXCMHOWPZCSYFD-LLVKDONJSA-N 0 0 199.294 2.114 10 0 AEAERN CCC[C@H](C)[N@@H+]1CCC[C@@]1(C)C(=O)[O-] 83417597 572218211 /nfs/dbraw/zinc/21/82/11/572218211.db2.gz VDPIEZCAUKMIBF-ONGXEEELSA-N 0 0 199.294 2.114 10 0 AEAERN CC[C@@H](C)SCCC(=O)OC 20368815 572218650 /nfs/dbraw/zinc/21/86/50/572218650.db2.gz IURCCJGUDNRYJN-SSDOTTSWSA-N 0 0 176.281 2.081 10 0 AEAERN CCCCCC(=O)CC(C)(C)O 113115229 572218742 /nfs/dbraw/zinc/21/87/42/572218742.db2.gz QXLWDQFWFHMKRQ-UHFFFAOYSA-N 0 0 172.268 2.297 10 0 AEAERN CCC(CC)[N@@H+]1CCC[C@@H]1CC(=O)[O-] 83414086 572219006 /nfs/dbraw/zinc/21/90/06/572219006.db2.gz KBQIQQJTNRDUKT-SNVBAGLBSA-N 0 0 199.294 2.114 10 0 AEAERN CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CC(=O)[O-] 83414237 572219014 /nfs/dbraw/zinc/21/90/14/572219014.db2.gz APRGEMMSPUEUBG-NXEZZACHSA-N 0 0 199.294 2.114 10 0 AEAERN CC[C@H]1CC[C@H](C2=NC(=O)CN2C)C1 234102661 572219165 /nfs/dbraw/zinc/21/91/65/572219165.db2.gz JMORSWFDGNYXJN-IUCAKERBSA-N 0 0 194.278 2.419 10 0 AEAERN COCC[C@H](O)c1csc(C)c1 83450367 572220913 /nfs/dbraw/zinc/22/09/13/572220913.db2.gz QCXOSGMEJLSRBW-VIFPVBQESA-N 0 0 186.276 2.126 10 0 AEAERN C/C=C\[C@H](O)Cc1ccccc1 113117047 572219478 /nfs/dbraw/zinc/21/94/78/572219478.db2.gz GPIJVAFBKLDRHQ-ZYVOWACSSA-N 0 0 162.232 2.166 10 0 AEAERN CCC(CC)Nc1ccc(N)nc1 20381620 572219500 /nfs/dbraw/zinc/21/95/00/572219500.db2.gz UITDUYNBELSUAR-UHFFFAOYSA-N 0 0 179.267 2.264 10 0 AEAERN C/C=C\[C@@H](O)Cc1ccccc1 113117042 572219565 /nfs/dbraw/zinc/21/95/65/572219565.db2.gz GPIJVAFBKLDRHQ-WPPTZLTKSA-N 0 0 162.232 2.166 10 0 AEAERN CCn1ccc2ccc(O)cc21 113110617 572219574 /nfs/dbraw/zinc/21/95/74/572219574.db2.gz ARUOAYPDUVGWEV-UHFFFAOYSA-N 0 0 161.204 2.367 10 0 AEAERN CCC(CC)[N@@H+]1CCC[C@H]1CC(=O)[O-] 83414088 572219642 /nfs/dbraw/zinc/21/96/42/572219642.db2.gz KBQIQQJTNRDUKT-JTQLQIEISA-N 0 0 199.294 2.114 10 0 AEAERN CCC(=O)c1c[nH]c2ncccc12 20431131 572220048 /nfs/dbraw/zinc/22/00/48/572220048.db2.gz DIYZHCQHHNVVCG-UHFFFAOYSA-N 0 0 174.203 2.156 10 0 AEAERN CCC(=O)Nc1ccc(CC)c(N)c1 20342969 572220057 /nfs/dbraw/zinc/22/00/57/572220057.db2.gz HTBOBHAZFUZSBN-UHFFFAOYSA-N 0 0 192.262 2.180 10 0 AEAERN CCCOC[C@@H](O)c1ccsc1 83450441 572220073 /nfs/dbraw/zinc/22/00/73/572220073.db2.gz HQAUQNLJQOBUKS-SECBINFHSA-N 0 0 186.276 2.208 10 0 AEAERN CC(C)[C@H](C)N(C)c1ccc(N)cn1 36787072 572220317 /nfs/dbraw/zinc/22/03/17/572220317.db2.gz HXDVTOKPOARGGN-VIFPVBQESA-N 0 0 193.294 2.145 10 0 AEAERN Cc1cccc(-c2nsc(N)n2)c1 20388108 572220337 /nfs/dbraw/zinc/22/03/37/572220337.db2.gz YZVFPRZTCIHIIP-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN CC1(C)CCC[C@]1(O)C[C@H]1CCCO1 687797278 572220367 /nfs/dbraw/zinc/22/03/67/572220367.db2.gz IFNKOTZJZAMJML-PWSUYJOCSA-N 0 0 198.306 2.497 10 0 AEAERN CCO[C@H](C)[C@@H](O)c1ccsc1 83450712 572220554 /nfs/dbraw/zinc/22/05/54/572220554.db2.gz BPNVUFFKAOILQD-VXNVDRBHSA-N 0 0 186.276 2.207 10 0 AEAERN Cc1ccc(N)cc1OCC1CC1 36765139 572220609 /nfs/dbraw/zinc/22/06/09/572220609.db2.gz PQPDSZTYLZJULG-UHFFFAOYSA-N 0 0 177.247 2.366 10 0 AEAERN CC1(C)CCC[C@@]1(O)C[C@@H]1CCCO1 687797276 572220613 /nfs/dbraw/zinc/22/06/13/572220613.db2.gz IFNKOTZJZAMJML-CMPLNLGQSA-N 0 0 198.306 2.497 10 0 AEAERN CCc1ccc(NC(=O)OC)cc1N 36744464 572220623 /nfs/dbraw/zinc/22/06/23/572220623.db2.gz LNMXNXYRXRVRRC-UHFFFAOYSA-N 0 0 194.234 2.010 10 0 AEAERN CCCn1nncc1NC[C@@H](C)CC 300983689 572220797 /nfs/dbraw/zinc/22/07/97/572220797.db2.gz SINJKTQAJBNCQX-VIFPVBQESA-N 0 0 196.298 2.146 10 0 AEAERN Cc1nn(C)c(SCC(C)C)c1N 36749655 572220805 /nfs/dbraw/zinc/22/08/05/572220805.db2.gz UPHWLFQIZXHLLR-UHFFFAOYSA-N 0 0 199.323 2.059 10 0 AEAERN COCC[C@@H](O)c1csc(C)c1 83450359 572220807 /nfs/dbraw/zinc/22/08/07/572220807.db2.gz QCXOSGMEJLSRBW-SECBINFHSA-N 0 0 186.276 2.126 10 0 AEAERN CC[C@H]1CCC[C@H]([NH2+]CC(=O)[O-])CC1 83435341 572221000 /nfs/dbraw/zinc/22/10/00/572221000.db2.gz XYJMBBKWFWTDSG-UWVGGRQHSA-N 0 0 199.294 2.020 10 0 AEAERN CCCC[C@@H](C)c1nnc([C@@H](C)N)o1 300983827 572220848 /nfs/dbraw/zinc/22/08/48/572220848.db2.gz USUAXUSIFPBSMY-HTQZYQBOSA-N 0 0 197.282 2.383 10 0 AEAERN CCO[C@@H](C)C(=O)c1ccsc1 83450245 572220861 /nfs/dbraw/zinc/22/08/61/572220861.db2.gz SIULHJHUMAAFIQ-ZETCQYMHSA-N 0 0 184.260 2.356 10 0 AEAERN CCO[C@@H](C)[C@H](O)c1ccsc1 83450703 572220870 /nfs/dbraw/zinc/22/08/70/572220870.db2.gz BPNVUFFKAOILQD-CBAPKCEASA-N 0 0 186.276 2.207 10 0 AEAERN CC(C)[C@@H](C)N(C)c1ccc(N)cn1 36787071 572220885 /nfs/dbraw/zinc/22/08/85/572220885.db2.gz HXDVTOKPOARGGN-SECBINFHSA-N 0 0 193.294 2.145 10 0 AEAERN CC[C@@H](C)CNc1c(C)n[nH]c1C 36734513 572220929 /nfs/dbraw/zinc/22/09/29/572220929.db2.gz UQFMTCYWLUKQBL-SSDOTTSWSA-N 0 0 181.283 2.485 10 0 AEAERN CC[C@@H](C)Sc1c(N)c(C)nn1C 36749647 572220934 /nfs/dbraw/zinc/22/09/34/572220934.db2.gz AVODDXZXPKOILD-ZCFIWIBFSA-N 0 0 199.323 2.201 10 0 AEAERN Cc1cc(-c2n[nH]cc2C=O)c(C)o1 20439640 572220937 /nfs/dbraw/zinc/22/09/37/572220937.db2.gz KZFVKYVFCLQKPY-UHFFFAOYSA-N 0 0 190.202 2.099 10 0 AEAERN CCCn1nncc1NC[C@H](C)CC 300983688 572220959 /nfs/dbraw/zinc/22/09/59/572220959.db2.gz SINJKTQAJBNCQX-SECBINFHSA-N 0 0 196.298 2.146 10 0 AEAERN C[C@H]1CC[C@H](n2cccc2C=O)CO1 402381366 572221038 /nfs/dbraw/zinc/22/10/38/572221038.db2.gz MUSYGKLLJVUZFJ-ONGXEEELSA-N 0 0 193.246 2.041 10 0 AEAERN CCO[C@@H](C)[C@@H](O)c1ccsc1 83450709 572221118 /nfs/dbraw/zinc/22/11/18/572221118.db2.gz BPNVUFFKAOILQD-IONNQARKSA-N 0 0 186.276 2.207 10 0 AEAERN CC[C@H](C)Sc1c(N)c(C)nn1C 36749648 572221246 /nfs/dbraw/zinc/22/12/46/572221246.db2.gz AVODDXZXPKOILD-LURJTMIESA-N 0 0 199.323 2.201 10 0 AEAERN Cc1n[nH]c(C)c1NCCC(C)C 36736132 572221283 /nfs/dbraw/zinc/22/12/83/572221283.db2.gz BPJQFGKCVFVPNC-UHFFFAOYSA-N 0 0 181.283 2.485 10 0 AEAERN CCCC[C@H](C)c1nnc([C@H](C)N)o1 300983830 572221277 /nfs/dbraw/zinc/22/12/77/572221277.db2.gz USUAXUSIFPBSMY-YUMQZZPRSA-N 0 0 197.282 2.383 10 0 AEAERN CCN1CCC(=O)[C@@H]1[C@@H]1CC=CCC1 711976428 572221318 /nfs/dbraw/zinc/22/13/18/572221318.db2.gz UFXIEPWEYRRXPD-PWSUYJOCSA-N 0 0 193.290 2.006 10 0 AEAERN CCCOCC(=O)c1ccsc1 83450085 572221332 /nfs/dbraw/zinc/22/13/32/572221332.db2.gz HLYSKLHPPNSRDF-UHFFFAOYSA-N 0 0 184.260 2.357 10 0 AEAERN CCCC[C@H](C)c1nnc([C@@H](C)N)o1 300983828 572221724 /nfs/dbraw/zinc/22/17/24/572221724.db2.gz USUAXUSIFPBSMY-JGVFFNPUSA-N 0 0 197.282 2.383 10 0 AEAERN CC1(C)CCC[C@]1(O)C[C@@H]1CCCO1 687797277 572221597 /nfs/dbraw/zinc/22/15/97/572221597.db2.gz IFNKOTZJZAMJML-JQWIXIFHSA-N 0 0 198.306 2.497 10 0 AEAERN N[C@@H](c1cccs1)C(F)F 20475297 572221616 /nfs/dbraw/zinc/22/16/16/572221616.db2.gz YQOIKXZOOZRPGG-YFKPBYRVSA-N 0 0 163.192 2.013 10 0 AEAERN CC(C)OC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 70286901 572221734 /nfs/dbraw/zinc/22/17/34/572221734.db2.gz WLYSYRLTVVAFAT-IVZWLZJFSA-N 0 0 182.263 2.374 10 0 AEAERN O=Cc1cnc(-c2cccc(F)c2)o1 20440399 572221762 /nfs/dbraw/zinc/22/17/62/572221762.db2.gz VBEXJRYVOHYTDK-UHFFFAOYSA-N 0 0 191.161 2.293 10 0 AEAERN CCC[C@@H](O)C(=O)CCC(C)C 113141066 572221769 /nfs/dbraw/zinc/22/17/69/572221769.db2.gz JQYIXGZDAVFTGJ-SECBINFHSA-N 0 0 172.268 2.153 10 0 AEAERN CC(C)N(C)c1ccc(CO)cc1F 20434987 572221794 /nfs/dbraw/zinc/22/17/94/572221794.db2.gz UWVQGRGNWGFKKV-UHFFFAOYSA-N 0 0 197.253 2.163 10 0 AEAERN CC1(C)CCC[C@@]1(O)C[C@H]1CCCO1 687797279 572221800 /nfs/dbraw/zinc/22/18/00/572221800.db2.gz IFNKOTZJZAMJML-ZYHUDNBSSA-N 0 0 198.306 2.497 10 0 AEAERN CCc1ccc(C(=O)C(F)F)o1 234108394 572221815 /nfs/dbraw/zinc/22/18/15/572221815.db2.gz SWQZQWKQUPGTAG-UHFFFAOYSA-N 0 0 174.146 2.290 10 0 AEAERN CC(C)C(C)(C)COc1cnn(C)c1 713235377 572221828 /nfs/dbraw/zinc/22/18/28/572221828.db2.gz JXZHUOJHNPIDMB-UHFFFAOYSA-N 0 0 196.294 2.481 10 0 AEAERN CC[C@@H]1CCC[C@@H]([NH2+]CC(=O)[O-])CC1 83435342 572221836 /nfs/dbraw/zinc/22/18/36/572221836.db2.gz XYJMBBKWFWTDSG-NXEZZACHSA-N 0 0 199.294 2.020 10 0 AEAERN CC[C@H](C)CNc1c(C)n[nH]c1C 36734515 572221851 /nfs/dbraw/zinc/22/18/51/572221851.db2.gz UQFMTCYWLUKQBL-ZETCQYMHSA-N 0 0 181.283 2.485 10 0 AEAERN CCCC[C@@H](C)c1nnc([C@H](C)N)o1 300983829 572221910 /nfs/dbraw/zinc/22/19/10/572221910.db2.gz USUAXUSIFPBSMY-SFYZADRCSA-N 0 0 197.282 2.383 10 0 AEAERN CCCOC[C@H](O)c1ccsc1 83450438 572221921 /nfs/dbraw/zinc/22/19/21/572221921.db2.gz HQAUQNLJQOBUKS-VIFPVBQESA-N 0 0 186.276 2.208 10 0 AEAERN CC(C)C[C@@H](C)CC(=O)[C@H](C)O 300989323 572223788 /nfs/dbraw/zinc/22/37/88/572223788.db2.gz VIEJDNIUXJBARR-BDAKNGLRSA-N 0 0 172.268 2.009 10 0 AEAERN COCCC(=O)c1csc(C)c1 83450052 572221952 /nfs/dbraw/zinc/22/19/52/572221952.db2.gz OAJPSBTXULSEBO-UHFFFAOYSA-N 0 0 184.260 2.276 10 0 AEAERN CCOc1cccc(Cl)c1CO 20435119 572221992 /nfs/dbraw/zinc/22/19/92/572221992.db2.gz CMMXDLFJBSBLQG-UHFFFAOYSA-N 0 0 186.638 2.231 10 0 AEAERN CCO[C@H](C)C(=O)c1ccsc1 83450252 572221996 /nfs/dbraw/zinc/22/19/96/572221996.db2.gz SIULHJHUMAAFIQ-SSDOTTSWSA-N 0 0 184.260 2.356 10 0 AEAERN CCn1cc(OCC(C)(C)C)cn1 713235359 572222059 /nfs/dbraw/zinc/22/20/59/572222059.db2.gz JWBWSOAJUFNGNY-UHFFFAOYSA-N 0 0 182.267 2.328 10 0 AEAERN CCC[C@H](O)C(=O)CCC(C)C 113141068 572222233 /nfs/dbraw/zinc/22/22/33/572222233.db2.gz JQYIXGZDAVFTGJ-VIFPVBQESA-N 0 0 172.268 2.153 10 0 AEAERN CC[C@H]1OCC[C@@H]1C(=O)c1ccc[nH]1 234117764 572222360 /nfs/dbraw/zinc/22/23/60/572222360.db2.gz YFHOOQYTFKGVNW-WCBMZHEXSA-N 0 0 193.246 2.013 10 0 AEAERN N[C@H](c1cccs1)C(F)F 20475296 572222378 /nfs/dbraw/zinc/22/23/78/572222378.db2.gz YQOIKXZOOZRPGG-RXMQYKEDSA-N 0 0 163.192 2.013 10 0 AEAERN CCN1CCC(=O)[C@H]1[C@@H]1CC=CCC1 711976430 572222448 /nfs/dbraw/zinc/22/24/48/572222448.db2.gz UFXIEPWEYRRXPD-ZYHUDNBSSA-N 0 0 193.290 2.006 10 0 AEAERN O=Cc1ncoc1-c1ccccc1 20441814 572222508 /nfs/dbraw/zinc/22/25/08/572222508.db2.gz OCMPSYIMJNFVPT-UHFFFAOYSA-N 0 0 173.171 2.154 10 0 AEAERN CC(C)[C@H](C)N(C)c1ccc(N)nc1 36787090 572222509 /nfs/dbraw/zinc/22/25/09/572222509.db2.gz DOQPILJMJZYZLH-VIFPVBQESA-N 0 0 193.294 2.145 10 0 AEAERN Cc1ccc([C@H](N)C(F)F)cc1 20475293 572222518 /nfs/dbraw/zinc/22/25/18/572222518.db2.gz XQJZDFKEAZDEGB-QMMMGPOBSA-N 0 0 171.190 2.260 10 0 AEAERN CC[C@H]1CCC[C@@H]([NH2+]CC(=O)[O-])CC1 83435343 572222519 /nfs/dbraw/zinc/22/25/19/572222519.db2.gz XYJMBBKWFWTDSG-VHSXEESVSA-N 0 0 199.294 2.020 10 0 AEAERN CCO[C@H](C)[C@H](O)c1ccsc1 83450706 572222545 /nfs/dbraw/zinc/22/25/45/572222545.db2.gz BPNVUFFKAOILQD-APPZFPTMSA-N 0 0 186.276 2.207 10 0 AEAERN CCCCNc1c(C)n[nH]c1C 36734760 572222570 /nfs/dbraw/zinc/22/25/70/572222570.db2.gz COCXXKDDRSZRMV-UHFFFAOYSA-N 0 0 167.256 2.239 10 0 AEAERN CC[C@@H]1CCC[C@H]([NH2+]CC(=O)[O-])CC1 83435340 572222636 /nfs/dbraw/zinc/22/26/36/572222636.db2.gz XYJMBBKWFWTDSG-ZJUUUORDSA-N 0 0 199.294 2.020 10 0 AEAERN Cc1ccc([C@@H](N)C(F)F)s1 20475350 572222659 /nfs/dbraw/zinc/22/26/59/572222659.db2.gz INGIQUGOPJYMIY-ZCFIWIBFSA-N 0 0 177.219 2.321 10 0 AEAERN Cc1cc(F)c2nc(N)sc2c1 20432684 572222743 /nfs/dbraw/zinc/22/27/43/572222743.db2.gz 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/nfs/dbraw/zinc/22/30/86/572223086.db2.gz WLYSYRLTVVAFAT-AEJSXWLSSA-N 0 0 182.263 2.374 10 0 AEAERN CCN1CCC(=O)[C@@H]1[C@H]1CC=CCC1 711976425 572223087 /nfs/dbraw/zinc/22/30/87/572223087.db2.gz UFXIEPWEYRRXPD-JQWIXIFHSA-N 0 0 193.290 2.006 10 0 AEAERN CCSCC(=O)c1cccnc1 83484579 572223175 /nfs/dbraw/zinc/22/31/75/572223175.db2.gz WWEDCUCIVAHABJ-UHFFFAOYSA-N 0 0 181.260 2.017 10 0 AEAERN Cc1ccc(-c2ocnc2C=O)cc1 20441822 572223189 /nfs/dbraw/zinc/22/31/89/572223189.db2.gz RIXUYTJWXBZWKF-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN O=Cc1cc(-c2cccs2)no1 20443966 572223213 /nfs/dbraw/zinc/22/32/13/572223213.db2.gz KPDYXHQVGQDRQN-UHFFFAOYSA-N 0 0 179.200 2.216 10 0 AEAERN CCN1CCC(=O)[C@H]1[C@H]1CC=CCC1 711976423 572223360 /nfs/dbraw/zinc/22/33/60/572223360.db2.gz UFXIEPWEYRRXPD-CMPLNLGQSA-N 0 0 193.290 2.006 10 0 AEAERN O=Cc1cnc(-c2ccccc2F)o1 20440402 572223392 /nfs/dbraw/zinc/22/33/92/572223392.db2.gz GVNMYVWNTDXLHO-UHFFFAOYSA-N 0 0 191.161 2.293 10 0 AEAERN CC(C)N(C)c1ccc(CO)cc1 20434989 572223469 /nfs/dbraw/zinc/22/34/69/572223469.db2.gz YTDRIFFDMBAFAI-UHFFFAOYSA-N 0 0 179.263 2.024 10 0 AEAERN Cc1ccc2c(c1)C[C@@H](O)C(C)(C)N2 38882745 572223564 /nfs/dbraw/zinc/22/35/64/572223564.db2.gz UQDXFCIBPPJYQT-LLVKDONJSA-N 0 0 191.274 2.103 10 0 AEAERN CCCCCCC(N)=S 20519759 572223779 /nfs/dbraw/zinc/22/37/79/572223779.db2.gz ISWCTJVOHFJRJT-UHFFFAOYSA-N 0 0 145.271 2.243 10 0 AEAERN CC[C@H]1OCC[C@H]1C(=O)C1CCC1 234113597 572224270 /nfs/dbraw/zinc/22/42/70/572224270.db2.gz PMKIVRVJNATVLI-NXEZZACHSA-N 0 0 182.263 2.171 10 0 AEAERN CC[C@H]1OCC[C@@H]1C(=O)c1ccoc1 234118424 572224365 /nfs/dbraw/zinc/22/43/65/572224365.db2.gz ROLFDDYFTCFZMN-VHSXEESVSA-N 0 0 194.230 2.277 10 0 AEAERN CCSCC(=O)c1cncc(F)c1 83484635 572224804 /nfs/dbraw/zinc/22/48/04/572224804.db2.gz TVOSZOTYUAXUJR-UHFFFAOYSA-N 0 0 199.250 2.157 10 0 AEAERN CC1(C)CC[C@H](NN)c2ccccc21 20525821 572224829 /nfs/dbraw/zinc/22/48/29/572224829.db2.gz XRFLTBMQTXHFPV-NSHDSACASA-N 0 0 190.290 2.262 10 0 AEAERN CC(C)[C@@H](C)Nc1ccc(N)nc1 20523336 572225167 /nfs/dbraw/zinc/22/51/67/572225167.db2.gz CMMVMAMUOQIXAT-MRVPVSSYSA-N 0 0 179.267 2.120 10 0 AEAERN CCN(C)C(=O)NCCC1=CCCC1 229054847 572225148 /nfs/dbraw/zinc/22/51/48/572225148.db2.gz WKORHZQUAHVQEX-UHFFFAOYSA-N 0 0 196.294 2.148 10 0 AEAERN CCSC[C@@H](O)Cc1ccccc1 83484648 572225188 /nfs/dbraw/zinc/22/51/88/572225188.db2.gz FRDSPVFUEKBLOT-NSHDSACASA-N 0 0 196.315 2.343 10 0 AEAERN CC(C)CSc1ncccc1N 20484054 572225219 /nfs/dbraw/zinc/22/52/19/572225219.db2.gz SUWRHGMXKUMTQT-UHFFFAOYSA-N 0 0 182.292 2.412 10 0 AEAERN CC[C@H]1OCC[C@H]1C(=O)C(C)(C)C 234113450 572225278 /nfs/dbraw/zinc/22/52/78/572225278.db2.gz DLVDQDWNMBIEEZ-RKDXNWHRSA-N 0 0 184.279 2.417 10 0 AEAERN CC(C)CSc1ccc(N)nc1 20484032 572226519 /nfs/dbraw/zinc/22/65/19/572226519.db2.gz AOTSQFWMXJJYAK-UHFFFAOYSA-N 0 0 182.292 2.412 10 0 AEAERN CC[C@](C)(C(=O)OC)C(F)(F)F 113148492 572225361 /nfs/dbraw/zinc/22/53/61/572225361.db2.gz RTIQRQJBNYTCIU-ZCFIWIBFSA-N 0 0 184.157 2.138 10 0 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CCCSC[C@H](O)c1ccoc1 83487077 572225788 /nfs/dbraw/zinc/22/57/88/572225788.db2.gz OYQLUWCXLIAJQK-VIFPVBQESA-N 0 0 186.276 2.456 10 0 AEAERN CC(C)C[C@H](C)CC(=O)[C@H](C)O 300989330 572225860 /nfs/dbraw/zinc/22/58/60/572225860.db2.gz VIEJDNIUXJBARR-IUCAKERBSA-N 0 0 172.268 2.009 10 0 AEAERN CCNc1ccnc(CSCC)n1 83486105 572225867 /nfs/dbraw/zinc/22/58/67/572225867.db2.gz LLMOATQUXFJVIR-UHFFFAOYSA-N 0 0 197.307 2.162 10 0 AEAERN Cc1cc(-c2ccncc2C)ncc1N 300988525 572225930 /nfs/dbraw/zinc/22/59/30/572225930.db2.gz UMRDCVQYEIWYKR-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CCCSCC(=O)c1cccnc1 83486747 572225946 /nfs/dbraw/zinc/22/59/46/572225946.db2.gz NNTRNKUYRJVJKX-UHFFFAOYSA-N 0 0 195.287 2.408 10 0 AEAERN CCC(C)(C)Nc1ccc(N)nc1 20584616 572225959 /nfs/dbraw/zinc/22/59/59/572225959.db2.gz KFGZRNWYOMWLKK-UHFFFAOYSA-N 0 0 179.267 2.264 10 0 AEAERN CCCSC[C@@H](O)c1ccoc1 83487078 572226005 /nfs/dbraw/zinc/22/60/05/572226005.db2.gz OYQLUWCXLIAJQK-SECBINFHSA-N 0 0 186.276 2.456 10 0 AEAERN CC(C)SCC(=O)c1cccnc1 83488501 572226045 /nfs/dbraw/zinc/22/60/45/572226045.db2.gz UNJDLWREQAMHBE-UHFFFAOYSA-N 0 0 195.287 2.406 10 0 AEAERN CC[C@H]1OCC[C@@H]1C(=O)c1ccco1 234118295 572226102 /nfs/dbraw/zinc/22/61/02/572226102.db2.gz DSXGCRZLAVZAOI-DTWKUNHWSA-N 0 0 194.230 2.277 10 0 AEAERN CCCSC[C@H](O)CC1CC1 83487097 572226134 /nfs/dbraw/zinc/22/61/34/572226134.db2.gz LZGXORGFOXXCAR-SECBINFHSA-N 0 0 174.309 2.291 10 0 AEAERN CCC(C)(C)n1cn[nH]c1=S 20583533 572226397 /nfs/dbraw/zinc/22/63/97/572226397.db2.gz DUDJWSQACVJULC-UHFFFAOYSA-N 0 0 171.269 2.086 10 0 AEAERN C=Cc1nc(CSCCC)no1 83486439 572226407 /nfs/dbraw/zinc/22/64/07/572226407.db2.gz ATANOWVMLZVZKM-UHFFFAOYSA-N 0 0 184.264 2.356 10 0 AEAERN CCCSCc1nccc(NC)n1 83487951 572226428 /nfs/dbraw/zinc/22/64/28/572226428.db2.gz SBONEQRURXQHKK-UHFFFAOYSA-N 0 0 197.307 2.162 10 0 AEAERN CCCSC[C@@H](O)c1cccnc1 83486940 572226506 /nfs/dbraw/zinc/22/65/06/572226506.db2.gz GWGKTGUATQZWTA-SNVBAGLBSA-N 0 0 197.303 2.258 10 0 AEAERN CCC(CC)n1cn[nH]c1=S 20583523 572226443 /nfs/dbraw/zinc/22/64/43/572226443.db2.gz ORJTXQKJNAGBOX-UHFFFAOYSA-N 0 0 171.269 2.302 10 0 AEAERN S=c1[nH]ncn1C1CCCC1 20583520 572226474 /nfs/dbraw/zinc/22/64/74/572226474.db2.gz FJEZKBOFSPLWGL-UHFFFAOYSA-N 0 0 169.253 2.056 10 0 AEAERN CC[C@@H]1CC[C@H]([C@@H](O)C(F)F)C1 687797685 572226481 /nfs/dbraw/zinc/22/64/81/572226481.db2.gz BKWROMRETVTWDK-GJMOJQLCSA-N 0 0 178.222 2.439 10 0 AEAERN CCCSC[C@H](O)c1ccco1 83487079 572226550 /nfs/dbraw/zinc/22/65/50/572226550.db2.gz OVPXWOURTLBXSB-QMMMGPOBSA-N 0 0 186.276 2.456 10 0 AEAERN CCSCCCN1CCSC1 687797664 572226599 /nfs/dbraw/zinc/22/65/99/572226599.db2.gz ADATUWQQLGCHKN-UHFFFAOYSA-N 0 0 191.365 2.136 10 0 AEAERN Fc1cc(Cl)c2c(n1)CCC2 687822473 572226724 /nfs/dbraw/zinc/22/67/24/572226724.db2.gz KPSYDTPSIVBOLP-UHFFFAOYSA-N 0 0 171.602 2.363 10 0 AEAERN C[C@@H]1COCC[C@H]1C(=O)CCC1CC1 300990882 572226734 /nfs/dbraw/zinc/22/67/34/572226734.db2.gz JHZAFCRHCHHFNR-MWLCHTKSSA-N 0 0 196.290 2.418 10 0 AEAERN CCCSCc1nc(C)cc(N)n1 83487933 572226737 /nfs/dbraw/zinc/22/67/37/572226737.db2.gz GWQRJGWZVFOAQS-UHFFFAOYSA-N 0 0 197.307 2.010 10 0 AEAERN CCN[C@H](C(F)(F)F)C1(C)CC1 687797747 572226777 /nfs/dbraw/zinc/22/67/77/572226777.db2.gz BYBSNVOFNGJGCK-LURJTMIESA-N 0 0 181.201 2.327 10 0 AEAERN CC(C)SCC(=O)CC1CC1 83488443 572226808 /nfs/dbraw/zinc/22/68/08/572226808.db2.gz AGSSFZMNWOXKKA-UHFFFAOYSA-N 0 0 172.293 2.497 10 0 AEAERN CC[C@@](C)(C(=O)OC)C(F)(F)F 113148490 572226895 /nfs/dbraw/zinc/22/68/95/572226895.db2.gz RTIQRQJBNYTCIU-LURJTMIESA-N 0 0 184.157 2.138 10 0 AEAERN CC1(C)CC[C@@H](NN)c2ccccc21 20525820 572226967 /nfs/dbraw/zinc/22/69/67/572226967.db2.gz XRFLTBMQTXHFPV-LLVKDONJSA-N 0 0 190.290 2.262 10 0 AEAERN CC(C)[C@H](C)Nc1ccc(N)nc1 20523337 572227172 /nfs/dbraw/zinc/22/71/72/572227172.db2.gz CMMVMAMUOQIXAT-QMMMGPOBSA-N 0 0 179.267 2.120 10 0 AEAERN CCCSC[C@H](O)c1cccnc1 83486939 572227142 /nfs/dbraw/zinc/22/71/42/572227142.db2.gz GWGKTGUATQZWTA-JTQLQIEISA-N 0 0 197.303 2.258 10 0 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/nfs/dbraw/zinc/22/79/78/572227978.db2.gz RBFLUEYPUXXBAW-LLVKDONJSA-N 0 0 186.295 2.498 10 0 AEAERN CC(F)(F)C(=O)CC[C@@H]1CCOC1 401046702 572228024 /nfs/dbraw/zinc/22/80/24/572228024.db2.gz JADTYCCIQVFVEG-SSDOTTSWSA-N 0 0 192.205 2.027 10 0 AEAERN O[C@H](CC[C@H]1CCCO1)c1ccc[nH]1 83524746 572228028 /nfs/dbraw/zinc/22/80/28/572228028.db2.gz VSJMBQMYZUNGEN-MWLCHTKSSA-N 0 0 195.262 2.007 10 0 AEAERN O[C@@H](CC[C@@H]1CCCO1)c1cc[nH]c1 83524757 572228034 /nfs/dbraw/zinc/22/80/34/572228034.db2.gz PHGQZWWKUDOIPT-QWRGUYRKSA-N 0 0 195.262 2.007 10 0 AEAERN CC(C)Cn1c(C2CC2)n[nH]c1=S 20590264 572228092 /nfs/dbraw/zinc/22/80/92/572228092.db2.gz CCTXTCJOVHLIGB-UHFFFAOYSA-N 0 0 197.307 2.474 10 0 AEAERN CC1(C[C@H](O)C[C@H]2CCCOC2)CC1 689449794 572228169 /nfs/dbraw/zinc/22/81/69/572228169.db2.gz UBKMKIMCQOMXKY-GHMZBOCLSA-N 0 0 198.306 2.354 10 0 AEAERN CC[C@@H](C)n1c(C)n[nH]c1=S 20590064 572228171 /nfs/dbraw/zinc/22/81/71/572228171.db2.gz LJFFPIBKZYMBAZ-RXMQYKEDSA-N 0 0 171.269 2.220 10 0 AEAERN 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/nfs/dbraw/zinc/24/54/97/572245497.db2.gz KQFYALIRCTXWDY-SDLBARTOSA-N 0 0 138.210 2.178 10 0 AEAERN CCC(CC)C(=O)C1CC1 21376962 572244760 /nfs/dbraw/zinc/24/47/60/572244760.db2.gz DSVUYZAMWXBNJF-UHFFFAOYSA-N 0 0 140.226 2.402 10 0 AEAERN c1[nH]nc2c1CCCCCC2 21353677 572244804 /nfs/dbraw/zinc/24/48/04/572244804.db2.gz BMPABDVFVCBJSM-UHFFFAOYSA-N 0 0 150.225 2.069 10 0 AEAERN CCOC(=N)c1cccc(OCC)c1 37928023 572245132 /nfs/dbraw/zinc/24/51/32/572245132.db2.gz PDTOPGVMNMJHMH-UHFFFAOYSA-N 0 0 193.246 2.447 10 0 AEAERN CC(C)O[C@H]1[C@@H](C)C[C@@H](C)C[C@H]1O 687714965 572249129 /nfs/dbraw/zinc/24/91/29/572249129.db2.gz ZXLKORSPENOHLC-YTWAJWBKSA-N 0 0 186.295 2.207 10 0 AEAERN C[C@H](CC(F)F)CC1(CO)CC1 687892625 572249142 /nfs/dbraw/zinc/24/91/42/572249142.db2.gz URYKTQINHFBUNI-SSDOTTSWSA-N 0 0 178.222 2.440 10 0 AEAERN CCCSC[C@@H](NCC)C(F)F 687714350 572245696 /nfs/dbraw/zinc/24/56/96/572245696.db2.gz CGJXDDCOHMILQO-SSDOTTSWSA-N 0 0 197.294 2.373 10 0 AEAERN CCC(CC)[C@@H](O)C1CC1 21368189 572245777 /nfs/dbraw/zinc/24/57/77/572245777.db2.gz OOCHXGQTNFAXPV-SECBINFHSA-N 0 0 142.242 2.194 10 0 AEAERN CCCSC[C@H](NCC)C(F)F 687714351 572246059 /nfs/dbraw/zinc/24/60/59/572246059.db2.gz CGJXDDCOHMILQO-ZETCQYMHSA-N 0 0 197.294 2.373 10 0 AEAERN CCCC(=O)[C@@H](C)C1CC1 21407713 572246161 /nfs/dbraw/zinc/24/61/61/572246161.db2.gz LTJCHMOPEBFPLP-ZETCQYMHSA-N 0 0 140.226 2.402 10 0 AEAERN Cc1cnc(CNc2ccccc2)cn1 37927640 572246314 /nfs/dbraw/zinc/24/63/14/572246314.db2.gz WEOOMRVHBJVICU-UHFFFAOYSA-N 0 0 199.257 2.397 10 0 AEAERN CC(C)[C@H](C)O[C@@H]1CCCC[C@H]1O 687715044 572251397 /nfs/dbraw/zinc/25/13/97/572251397.db2.gz PHBQMXFQQMSECQ-HBNTYKKESA-N 0 0 186.295 2.351 10 0 AEAERN CC(C)[C@H](C)O[C@H]1CCCC[C@@H]1O 687715042 572252263 /nfs/dbraw/zinc/25/22/63/572252263.db2.gz PHBQMXFQQMSECQ-DCAQKATOSA-N 0 0 186.295 2.351 10 0 AEAERN CCC[N@@H+]1CCC(=O)[C@H]1CC(C)(C)C 712047501 572247127 /nfs/dbraw/zinc/24/71/27/572247127.db2.gz WBZGRLICALVBIR-SNVBAGLBSA-N 0 0 197.322 2.476 10 0 AEAERN CONCc1ccccc1OC(C)C 109747522 572247086 /nfs/dbraw/zinc/24/70/86/572247086.db2.gz YBBMCHHXDYQGRU-UHFFFAOYSA-N 0 0 195.262 2.125 10 0 AEAERN CC[C@H](C)OCC(=O)c1cccn1C 48265079 572247341 /nfs/dbraw/zinc/24/73/41/572247341.db2.gz FDRGBUJROJSNBI-VIFPVBQESA-N 0 0 195.262 2.023 10 0 AEAERN CCC[N@@H+]1CCC(=O)[C@@H]1CC(C)(C)C 712047500 572247362 /nfs/dbraw/zinc/24/73/62/572247362.db2.gz WBZGRLICALVBIR-JTQLQIEISA-N 0 0 197.322 2.476 10 0 AEAERN CC[C@@H](C)OCC(=O)c1cccn1C 48265077 572248015 /nfs/dbraw/zinc/24/80/15/572248015.db2.gz FDRGBUJROJSNBI-SECBINFHSA-N 0 0 195.262 2.023 10 0 AEAERN CC[C@H](O)COc1c(C)cccc1C 48235753 572248455 /nfs/dbraw/zinc/24/84/55/572248455.db2.gz VFPAWDKEZDDBFS-NSHDSACASA-N 0 0 194.274 2.453 10 0 AEAERN CC[C@H](C)OCCCC(C)=O 48265111 572248499 /nfs/dbraw/zinc/24/84/99/572248499.db2.gz CGWSSXOHUBJVNC-VIFPVBQESA-N 0 0 158.241 2.171 10 0 AEAERN CC[C@@H](C)OCC(=O)c1ccco1 48265192 572248558 /nfs/dbraw/zinc/24/85/58/572248558.db2.gz WSLFLDVZGKZZPV-MRVPVSSYSA-N 0 0 182.219 2.277 10 0 AEAERN CC[C@H](C)OCC(=O)C(C)(C)C 48265267 572248575 /nfs/dbraw/zinc/24/85/75/572248575.db2.gz IVZQGGUNAGEXQD-QMMMGPOBSA-N 0 0 172.268 2.417 10 0 AEAERN CC[C@@H](C)OCC(=O)c1ccn(C)c1 48265234 572248587 /nfs/dbraw/zinc/24/85/87/572248587.db2.gz WBHUXXHZKLMOKD-SECBINFHSA-N 0 0 195.262 2.023 10 0 AEAERN CC[C@@H](C)OCC(=O)C(C)(C)C 48265265 572248682 /nfs/dbraw/zinc/24/86/82/572248682.db2.gz IVZQGGUNAGEXQD-MRVPVSSYSA-N 0 0 172.268 2.417 10 0 AEAERN CC[C@H](C)OCC(=O)c1ccco1 48265194 572248792 /nfs/dbraw/zinc/24/87/92/572248792.db2.gz WSLFLDVZGKZZPV-QMMMGPOBSA-N 0 0 182.219 2.277 10 0 AEAERN CC[C@H](C)OCC(=O)c1ccn(C)c1 48265236 572248827 /nfs/dbraw/zinc/24/88/27/572248827.db2.gz WBHUXXHZKLMOKD-VIFPVBQESA-N 0 0 195.262 2.023 10 0 AEAERN CC[C@@H](O)COc1c(C)cccc1C 48235754 572248834 /nfs/dbraw/zinc/24/88/34/572248834.db2.gz VFPAWDKEZDDBFS-LLVKDONJSA-N 0 0 194.274 2.453 10 0 AEAERN C[C@@H]1CC(C)(C)N1CC(F)(F)F 687714564 572248861 /nfs/dbraw/zinc/24/88/61/572248861.db2.gz XYBKOLWZUNPXLK-ZCFIWIBFSA-N 0 0 181.201 2.422 10 0 AEAERN C[C@H]1CC(C)(C)N1CC(F)(F)F 687714563 572248868 /nfs/dbraw/zinc/24/88/68/572248868.db2.gz XYBKOLWZUNPXLK-LURJTMIESA-N 0 0 181.201 2.422 10 0 AEAERN CC[C@@H](C)OCCCC(C)=O 48265110 572248871 /nfs/dbraw/zinc/24/88/71/572248871.db2.gz CGWSSXOHUBJVNC-SECBINFHSA-N 0 0 158.241 2.171 10 0 AEAERN COC[C@@H](C)[C@@H](O)CCCC(F)F 687892612 572249112 /nfs/dbraw/zinc/24/91/12/572249112.db2.gz URRIXZOCZADBNJ-SFYZADRCSA-N 0 0 196.237 2.065 10 0 AEAERN COC[C@H](C)[C@@H](O)CCCC(F)F 687892613 572249195 /nfs/dbraw/zinc/24/91/95/572249195.db2.gz URRIXZOCZADBNJ-YUMQZZPRSA-N 0 0 196.237 2.065 10 0 AEAERN CO[C@@H](C)[C@](C)(O)CCCC(F)F 687892560 572249200 /nfs/dbraw/zinc/24/92/00/572249200.db2.gz ULQZXYUTINPTRK-IONNQARKSA-N 0 0 196.237 2.208 10 0 AEAERN CC(C)O[C@H]1[C@@H](C)C[C@@H](C)C[C@@H]1O 687714963 572249423 /nfs/dbraw/zinc/24/94/23/572249423.db2.gz ZXLKORSPENOHLC-RCWTZXSCSA-N 0 0 186.295 2.207 10 0 AEAERN C[C@@H](CC(F)F)CC1(CO)CC1 687892627 572249463 /nfs/dbraw/zinc/24/94/63/572249463.db2.gz URYKTQINHFBUNI-ZETCQYMHSA-N 0 0 178.222 2.440 10 0 AEAERN CCO[C@](C)(CC1CC1)C(C)=O 687714748 572249548 /nfs/dbraw/zinc/24/95/48/572249548.db2.gz ORTKFRGVQGHKJD-SNVBAGLBSA-N 0 0 170.252 2.171 10 0 AEAERN COC[C@@H](C)[C@H](O)CCCC(F)F 687892594 572249489 /nfs/dbraw/zinc/24/94/89/572249489.db2.gz URRIXZOCZADBNJ-HTQZYQBOSA-N 0 0 196.237 2.065 10 0 AEAERN C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)C1 687714739 572249581 /nfs/dbraw/zinc/24/95/81/572249581.db2.gz IZPPMUMGFVWXEQ-DSYKOEDSSA-N 0 0 182.185 2.346 10 0 AEAERN CCCC1(C(=O)OC2CC2)CC1 393374102 572249667 /nfs/dbraw/zinc/24/96/67/572249667.db2.gz ROFMAXYNMOBDCK-UHFFFAOYSA-N 0 0 168.236 2.272 10 0 AEAERN CCO[C@@](C)(CC1CC1)C(C)=O 687714747 572249699 /nfs/dbraw/zinc/24/96/99/572249699.db2.gz ORTKFRGVQGHKJD-JTQLQIEISA-N 0 0 170.252 2.171 10 0 AEAERN Nc1ccc(Cl)c(N2CCC2)c1 687714746 572249726 /nfs/dbraw/zinc/24/97/26/572249726.db2.gz VEPYFHYBGPUUQW-UHFFFAOYSA-N 0 0 182.654 2.132 10 0 AEAERN COC[C@H](C)[C@H](O)CCCC(F)F 687892607 572249744 /nfs/dbraw/zinc/24/97/44/572249744.db2.gz URRIXZOCZADBNJ-JGVFFNPUSA-N 0 0 196.237 2.065 10 0 AEAERN CO[C@H](C)[C@](C)(O)CCCC(F)F 687892565 572249786 /nfs/dbraw/zinc/24/97/86/572249786.db2.gz ULQZXYUTINPTRK-VXNVDRBHSA-N 0 0 196.237 2.208 10 0 AEAERN CCC(C)(C)c1cc(C=O)no1 725349692 572249997 /nfs/dbraw/zinc/24/99/97/572249997.db2.gz PESPNIXNCPYQNR-UHFFFAOYSA-N 0 0 167.208 2.175 10 0 AEAERN CC(C)O[C@@H]1[C@@H](C)C[C@@H](C)C[C@H]1O 687714962 572250043 /nfs/dbraw/zinc/25/00/43/572250043.db2.gz ZXLKORSPENOHLC-LMLFDSFASA-N 0 0 186.295 2.207 10 0 AEAERN CC(C)O[C@@H]1[C@@H](C)C[C@@H](C)C[C@@H]1O 687714964 572250262 /nfs/dbraw/zinc/25/02/62/572250262.db2.gz ZXLKORSPENOHLC-VPOLOUISSA-N 0 0 186.295 2.207 10 0 AEAERN CO[C@@H](C)[C@@](C)(O)CCCC(F)F 687892558 572250272 /nfs/dbraw/zinc/25/02/72/572250272.db2.gz ULQZXYUTINPTRK-CBAPKCEASA-N 0 0 196.237 2.208 10 0 AEAERN C[C@H]1CCC(=O)C[C@H]1C(F)F 725353240 572250456 /nfs/dbraw/zinc/25/04/56/572250456.db2.gz AQXNATRSAAEUTI-CAHLUQPWSA-N 0 0 162.179 2.257 10 0 AEAERN CO[C@H](C)[C@@](C)(O)CCCC(F)F 687892555 572250539 /nfs/dbraw/zinc/25/05/39/572250539.db2.gz ULQZXYUTINPTRK-APPZFPTMSA-N 0 0 196.237 2.208 10 0 AEAERN CN[C@@H](CCC1CC1)C(F)F 234398669 572250568 /nfs/dbraw/zinc/25/05/68/572250568.db2.gz OTYFSJKUGDVKLD-ZETCQYMHSA-N 0 0 163.211 2.030 10 0 AEAERN Nc1cc(N2CCC2)ccc1Cl 687714745 572250611 /nfs/dbraw/zinc/25/06/11/572250611.db2.gz QFYQNFOSNXCUHO-UHFFFAOYSA-N 0 0 182.654 2.132 10 0 AEAERN C[C@@H]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 687714740 572250627 /nfs/dbraw/zinc/25/06/27/572250627.db2.gz IZPPMUMGFVWXEQ-FSDSQADBSA-N 0 0 182.185 2.346 10 0 AEAERN CC/C=C\COC(=O)C1CCC1 393374673 572250744 /nfs/dbraw/zinc/25/07/44/572250744.db2.gz SNMDCQLETFFLAR-ARJAWSKDSA-N 0 0 168.236 2.296 10 0 AEAERN CC(C)[C@H](C)O[C@@H]1CCC[C@H](O)C1 687715051 572251013 /nfs/dbraw/zinc/25/10/13/572251013.db2.gz ZZBXHKVGGNNJHO-GARJFASQSA-N 0 0 186.295 2.351 10 0 AEAERN COC1CCC([C@](C)(O)C2CC2)CC1 686329539 572251051 /nfs/dbraw/zinc/25/10/51/572251051.db2.gz LGIDLRXLGLGFPJ-HTAVTVPLSA-N 0 0 198.306 2.353 10 0 AEAERN CC[C@@H]1C=C[C@@](C)(O)CC1 725353374 572251138 /nfs/dbraw/zinc/25/11/38/572251138.db2.gz WARCXAUPUZJRDJ-RKDXNWHRSA-N 0 0 140.226 2.114 10 0 AEAERN CC(C)[C@H](C)O[C@@H]1CCC[C@@H](O)C1 687715052 572251205 /nfs/dbraw/zinc/25/12/05/572251205.db2.gz ZZBXHKVGGNNJHO-HBNTYKKESA-N 0 0 186.295 2.351 10 0 AEAERN CC1(C)C=C[C@](O)(C(F)F)CC1 725353727 572251231 /nfs/dbraw/zinc/25/12/31/572251231.db2.gz HALYOWBVMXKJDT-SECBINFHSA-N 0 0 176.206 2.359 10 0 AEAERN CC[C@H](O)CO[C@@H]1CCC[C@H](C)C1 50182218 572251719 /nfs/dbraw/zinc/25/17/19/572251719.db2.gz PAPZVVPELPTJQC-GARJFASQSA-N 0 0 186.295 2.353 10 0 AEAERN CC[C@H](O)CO[C@H]1CCC[C@H](C)C1 50182220 572251798 /nfs/dbraw/zinc/25/17/98/572251798.db2.gz PAPZVVPELPTJQC-DCAQKATOSA-N 0 0 186.295 2.353 10 0 AEAERN CC(C)[C@H](C)O[C@H]1CCC[C@@H](O)C1 687715049 572251911 /nfs/dbraw/zinc/25/19/11/572251911.db2.gz ZZBXHKVGGNNJHO-AXFHLTTASA-N 0 0 186.295 2.351 10 0 AEAERN COC1CCC([C@@](C)(O)C2CC2)CC1 686329540 572251946 /nfs/dbraw/zinc/25/19/46/572251946.db2.gz LGIDLRXLGLGFPJ-MCIGGMRASA-N 0 0 198.306 2.353 10 0 AEAERN CC(C)[C@H](C)O[C@H]1CCC[C@H](O)C1 687715050 572252040 /nfs/dbraw/zinc/25/20/40/572252040.db2.gz ZZBXHKVGGNNJHO-DCAQKATOSA-N 0 0 186.295 2.351 10 0 AEAERN CC/C=C/COC(=O)C1CCC1 393374675 572252152 /nfs/dbraw/zinc/25/21/52/572252152.db2.gz SNMDCQLETFFLAR-ONEGZZNKSA-N 0 0 168.236 2.296 10 0 AEAERN CC(C)[C@H](C)O[C@@H]1CCCC[C@@H]1O 687715043 572252478 /nfs/dbraw/zinc/25/24/78/572252478.db2.gz PHBQMXFQQMSECQ-GARJFASQSA-N 0 0 186.295 2.351 10 0 AEAERN CC(C)[C@H](C)O[C@H]1CCCC[C@H]1O 687715041 572252688 /nfs/dbraw/zinc/25/26/88/572252688.db2.gz PHBQMXFQQMSECQ-AXFHLTTASA-N 0 0 186.295 2.351 10 0 AEAERN CCC[C@H](C/C(Cl)=C\CO)OC 307976856 572328251 /nfs/dbraw/zinc/32/82/51/572328251.db2.gz IWXIXLYEMHALJE-WHXYTISESA-N 0 0 192.686 2.307 10 0 AEAERN COCC[C@](C)(O)CCC(C)C 83503806 572326354 /nfs/dbraw/zinc/32/63/54/572326354.db2.gz ORHQVZRTMSHXOO-SNVBAGLBSA-N 0 0 174.284 2.210 10 0 AEAERN CCCCC[C@@H](O)[C@@H]1CCCOC1 83505511 572326356 /nfs/dbraw/zinc/32/63/56/572326356.db2.gz HJZKNRKSVWRYES-GHMZBOCLSA-N 0 0 186.295 2.354 10 0 AEAERN CCCCCO[C@@H](O)C(F)(F)F 238196095 572326358 /nfs/dbraw/zinc/32/63/58/572326358.db2.gz WKBSLJSXXFGNBF-ZCFIWIBFSA-N 0 0 186.173 2.074 10 0 AEAERN COCC[C@@](C)(O)CC1CCCC1 83503817 572327259 /nfs/dbraw/zinc/32/72/59/572327259.db2.gz POUGHXJRVPRWHK-LLVKDONJSA-N 0 0 186.295 2.354 10 0 AEAERN CCC(CC)[C@@H](O)C[C@H]1CCCO1 83504903 572327274 /nfs/dbraw/zinc/32/72/74/572327274.db2.gz NAAOAFDKPGLOFL-MNOVXSKESA-N 0 0 186.295 2.353 10 0 AEAERN CCC[C@@H](C)C[C@](C)(O)COC 83503935 572327285 /nfs/dbraw/zinc/32/72/85/572327285.db2.gz KJSFEDBOKTXFAH-ZJUUUORDSA-N 0 0 174.284 2.210 10 0 AEAERN CCSCOc1ccc(F)nc1 307975010 572327286 /nfs/dbraw/zinc/32/72/86/572327286.db2.gz KCTKZOSEJBPDMP-UHFFFAOYSA-N 0 0 187.239 2.310 10 0 AEAERN CCC[C@H](C)C[C@@](C)(O)COC 83503938 572327302 /nfs/dbraw/zinc/32/73/02/572327302.db2.gz KJSFEDBOKTXFAH-VHSXEESVSA-N 0 0 174.284 2.210 10 0 AEAERN CC[C@H](C)C[C@@H](O)[C@@H]1CCCOC1 83505565 572327306 /nfs/dbraw/zinc/32/73/06/572327306.db2.gz ASDCWQGOFUOUMW-HBNTYKKESA-N 0 0 186.295 2.210 10 0 AEAERN CCCCCO[C@]1(C)CCC[C@@H]1O 238197889 572327315 /nfs/dbraw/zinc/32/73/15/572327315.db2.gz BEFFYSSLJSDGGI-WDEREUQCSA-N 0 0 186.295 2.497 10 0 AEAERN CCCCC[C@@](C)(O)CCOC 83503772 572327369 /nfs/dbraw/zinc/32/73/69/572327369.db2.gz WRPVUOKOECOJJV-SNVBAGLBSA-N 0 0 174.284 2.354 10 0 AEAERN CCON[C@H]1C=CCCCCC1 307975517 572327373 /nfs/dbraw/zinc/32/73/73/572327373.db2.gz GHRAGXFHHHKXHX-JTQLQIEISA-N 0 0 169.268 2.416 10 0 AEAERN CCON[C@@H]1C=CCCCCC1 307975518 572327332 /nfs/dbraw/zinc/32/73/32/572327332.db2.gz GHRAGXFHHHKXHX-SNVBAGLBSA-N 0 0 169.268 2.416 10 0 AEAERN CC[C@@H](C)C[C@H](O)C1CCOCC1 83505492 572327334 /nfs/dbraw/zinc/32/73/34/572327334.db2.gz WQEMJCDYQLPLIL-KOLCDFICSA-N 0 0 186.295 2.210 10 0 AEAERN Cn1cc([C@H](O)CCC(C)(C)C)cn1 83504719 572327385 /nfs/dbraw/zinc/32/73/85/572327385.db2.gz ZKNJLBSQMRADOK-SNVBAGLBSA-N 0 0 196.294 2.280 10 0 AEAERN CC[C@@H](C)C[C@](C)(O)CCOC 83503819 572327397 /nfs/dbraw/zinc/32/73/97/572327397.db2.gz ZLRLJONGLPPUPQ-NXEZZACHSA-N 0 0 174.284 2.210 10 0 AEAERN CCCC[C@@]1(O)CCO[C@@H](CC)C1 83506169 572327406 /nfs/dbraw/zinc/32/74/06/572327406.db2.gz GPAGSUMIULKVRR-WDEREUQCSA-N 0 0 186.295 2.497 10 0 AEAERN CC(C)[C@@H](C)CC(C)(C)C(N)=O 238196298 572327443 /nfs/dbraw/zinc/32/74/43/572327443.db2.gz XRRWZNSPJZBHIV-QMMMGPOBSA-N 0 0 171.284 2.180 10 0 AEAERN CC(C)(C)CC[C@@H](O)[C@@H]1CCOC1 83505107 572327444 /nfs/dbraw/zinc/32/74/44/572327444.db2.gz KHFKHCFTTKGXEC-NXEZZACHSA-N 0 0 186.295 2.210 10 0 AEAERN CCC(O)(CC)CC1CCOCC1 83503342 572327448 /nfs/dbraw/zinc/32/74/48/572327448.db2.gz AAEQLZZRAQLSKE-UHFFFAOYSA-N 0 0 186.295 2.354 10 0 AEAERN CCCCCO[C@@H]1CC[C@@H](C)[C@@H]1O 238196532 572327467 /nfs/dbraw/zinc/32/74/67/572327467.db2.gz FDNQSCARPPJGAE-MXWKQRLJSA-N 0 0 186.295 2.353 10 0 AEAERN CCC[C@H](C)C[C@@H](O)[C@@H]1CCOC1 83505177 572327478 /nfs/dbraw/zinc/32/74/78/572327478.db2.gz JPHCDSDIUHGQIR-HBNTYKKESA-N 0 0 186.295 2.210 10 0 AEAERN CCC(CC)[C@H](O)C[C@H]1CCCO1 83504902 572327512 /nfs/dbraw/zinc/32/75/12/572327512.db2.gz NAAOAFDKPGLOFL-GHMZBOCLSA-N 0 0 186.295 2.353 10 0 AEAERN CCC(=O)CCCC(=O)C1CC1 238196071 572327693 /nfs/dbraw/zinc/32/76/93/572327693.db2.gz RZRNTIWFWBRTTI-UHFFFAOYSA-N 0 0 168.236 2.115 10 0 AEAERN COC(=S)SCc1cccnc1 307974974 572327697 /nfs/dbraw/zinc/32/76/97/572327697.db2.gz JZQQKLGJRKEFPP-UHFFFAOYSA-N 0 0 199.300 2.246 10 0 AEAERN Cc1cc(/C=C/CO)ccc1F 59813105 572328245 /nfs/dbraw/zinc/32/82/45/572328245.db2.gz HCCWNHPMAKYHCK-NSCUHMNNSA-N 0 0 166.195 2.140 10 0 AEAERN CCCCCCC(C)=C(CO)CO 238197784 572328080 /nfs/dbraw/zinc/32/80/80/572328080.db2.gz YCLLUOMWNFABHD-UHFFFAOYSA-N 0 0 186.295 2.258 10 0 AEAERN COCC(C)(C)[C@@H](O)CC(C)(C)C 713239167 572328268 /nfs/dbraw/zinc/32/82/68/572328268.db2.gz AIYSSGRDXMEGHA-VIFPVBQESA-N 0 0 188.311 2.456 10 0 AEAERN CC[C@@](O)(CC1CCOCC1)C1CC1 83507471 572328290 /nfs/dbraw/zinc/32/82/90/572328290.db2.gz JBDGYAHZFZLHNQ-GFCCVEGCSA-N 0 0 198.306 2.354 10 0 AEAERN CCCCCCC(=O)[C@@H](O)SC 238197167 572328306 /nfs/dbraw/zinc/32/83/06/572328306.db2.gz WMXDWHQGANCAIG-VIFPVBQESA-N 0 0 190.308 2.207 10 0 AEAERN CCCCCO[C@@]1(C)CCC[C@@H]1O 238196816 572328449 /nfs/dbraw/zinc/32/84/49/572328449.db2.gz BEFFYSSLJSDGGI-QWRGUYRKSA-N 0 0 186.295 2.497 10 0 AEAERN C/C(=C\CO)CC[C@](C)(O)C(C)C 238196260 572326129 /nfs/dbraw/zinc/32/61/29/572326129.db2.gz XGCNVXOEKOBJAG-RUYJGKKWSA-N 0 0 186.295 2.112 10 0 AEAERN CCCCCC[C@@]1(O)CCOC1 83504225 572326145 /nfs/dbraw/zinc/32/61/45/572326145.db2.gz QXSXKGCQQRACDC-SNVBAGLBSA-N 0 0 172.268 2.108 10 0 AEAERN CCCCC[C@@H](O)[C@H]1CCCOC1 83505513 572326156 /nfs/dbraw/zinc/32/61/56/572326156.db2.gz HJZKNRKSVWRYES-WDEREUQCSA-N 0 0 186.295 2.354 10 0 AEAERN CC(C)CC[C@H](O)[C@H]1CCCOC1 83505552 572326162 /nfs/dbraw/zinc/32/61/62/572326162.db2.gz PNZWKDDUIWDDIV-QWRGUYRKSA-N 0 0 186.295 2.210 10 0 AEAERN Cn1cc([C@@H](O)CCC(C)(C)C)cn1 83504718 572326173 /nfs/dbraw/zinc/32/61/73/572326173.db2.gz ZKNJLBSQMRADOK-JTQLQIEISA-N 0 0 196.294 2.280 10 0 AEAERN CCCCC[C@](C)(O)CCOC 83503771 572326189 /nfs/dbraw/zinc/32/61/89/572326189.db2.gz WRPVUOKOECOJJV-JTQLQIEISA-N 0 0 174.284 2.354 10 0 AEAERN C/C=C(\C)[C@@H](O)c1ccncc1 307974912 572326194 /nfs/dbraw/zinc/32/61/94/572326194.db2.gz DYEVSQLWODLETM-SIUBYYJGSA-N 0 0 163.220 2.081 10 0 AEAERN CCC[C@@H](C)C[C@]1(O)CCCOC1 83506476 572326198 /nfs/dbraw/zinc/32/61/98/572326198.db2.gz NJLCCGJSNQLDQF-GHMZBOCLSA-N 0 0 186.295 2.354 10 0 AEAERN CCC(CC)[C@H](O)C[C@@H]1CCCO1 83504900 572326199 /nfs/dbraw/zinc/32/61/99/572326199.db2.gz NAAOAFDKPGLOFL-WDEREUQCSA-N 0 0 186.295 2.353 10 0 AEAERN CCCCC[C@@]1(O)CCO[C@H](C)C1 83506087 572326212 /nfs/dbraw/zinc/32/62/12/572326212.db2.gz MCQFBYAUZRCRPS-GHMZBOCLSA-N 0 0 186.295 2.497 10 0 AEAERN CCCCCC1(O)CCOCC1 83504129 572326215 /nfs/dbraw/zinc/32/62/15/572326215.db2.gz NCRAARPAPMEOFK-UHFFFAOYSA-N 0 0 172.268 2.108 10 0 AEAERN CCCC[C@H](O)CC1CCOCC1 83505730 572326227 /nfs/dbraw/zinc/32/62/27/572326227.db2.gz AIKUKZYTHPMMDC-NSHDSACASA-N 0 0 186.295 2.354 10 0 AEAERN COCC[C@@](C)(O)CCC(C)C 83503805 572326241 /nfs/dbraw/zinc/32/62/41/572326241.db2.gz ORHQVZRTMSHXOO-JTQLQIEISA-N 0 0 174.284 2.210 10 0 AEAERN CC[C@@](C)(O)Cc1cccc(OC)c1 83503284 572326250 /nfs/dbraw/zinc/32/62/50/572326250.db2.gz AHEVSJXPAFOEPI-GFCCVEGCSA-N 0 0 194.274 2.399 10 0 AEAERN CCCC[C@]1(O)CCO[C@@H](CC)C1 83506168 572326256 /nfs/dbraw/zinc/32/62/56/572326256.db2.gz GPAGSUMIULKVRR-QWRGUYRKSA-N 0 0 186.295 2.497 10 0 AEAERN CCCCC[C@@]1(O)CCO[C@@H](C)C1 83506089 572326271 /nfs/dbraw/zinc/32/62/71/572326271.db2.gz MCQFBYAUZRCRPS-WDEREUQCSA-N 0 0 186.295 2.497 10 0 AEAERN CCC[C@H](C)C[C@]1(O)CCCOC1 83506477 572326289 /nfs/dbraw/zinc/32/62/89/572326289.db2.gz NJLCCGJSNQLDQF-WDEREUQCSA-N 0 0 186.295 2.354 10 0 AEAERN CC(C)C[C@@H]1CC[C@H](O)C1 59787682 572326315 /nfs/dbraw/zinc/32/63/15/572326315.db2.gz GUSLPUXZPBPLOD-IUCAKERBSA-N 0 0 142.242 2.194 10 0 AEAERN CCC(CC)[C@@H](O)C[C@@H]1CCCO1 83504901 572326343 /nfs/dbraw/zinc/32/63/43/572326343.db2.gz NAAOAFDKPGLOFL-QWRGUYRKSA-N 0 0 186.295 2.353 10 0 AEAERN CCCCC[C@]1(O)CCCOC1 83506418 572326360 /nfs/dbraw/zinc/32/63/60/572326360.db2.gz GDGNFKQHVAQWEK-JTQLQIEISA-N 0 0 172.268 2.108 10 0 AEAERN CCCCC[C@@H]1C[C@@H](O)[C@H](C)O1 307975169 572326406 /nfs/dbraw/zinc/32/64/06/572326406.db2.gz FKUOZVDODRCRHA-IVZWLZJFSA-N 0 0 172.268 2.105 10 0 AEAERN CC(C)CC[C@@H](O)[C@H]1CCCOC1 83505553 572326407 /nfs/dbraw/zinc/32/64/07/572326407.db2.gz PNZWKDDUIWDDIV-WDEREUQCSA-N 0 0 186.295 2.210 10 0 AEAERN CC[C@H](C)C[C@@H](O)C1CCOCC1 83505495 572326425 /nfs/dbraw/zinc/32/64/25/572326425.db2.gz WQEMJCDYQLPLIL-GXSJLCMTSA-N 0 0 186.295 2.210 10 0 AEAERN CCC[C@H](C)C[C@](C)(O)COC 83503936 572326430 /nfs/dbraw/zinc/32/64/30/572326430.db2.gz KJSFEDBOKTXFAH-UWVGGRQHSA-N 0 0 174.284 2.210 10 0 AEAERN CCCCCC[C@@]1(O)CCCOC1 83506429 572326441 /nfs/dbraw/zinc/32/64/41/572326441.db2.gz HWMKBWVJWDJKRA-LLVKDONJSA-N 0 0 186.295 2.498 10 0 AEAERN CCCC[C@]1(O)CCO[C@H](CC)C1 83506166 572326444 /nfs/dbraw/zinc/32/64/44/572326444.db2.gz GPAGSUMIULKVRR-MNOVXSKESA-N 0 0 186.295 2.497 10 0 AEAERN COc1ccc(C2(O)CCC2)c(F)c1 234967754 572328533 /nfs/dbraw/zinc/32/85/33/572328533.db2.gz HASOGFFJYMIFSD-UHFFFAOYSA-N 0 0 196.221 2.206 10 0 AEAERN CCCCC[C@]1(O)CCO[C@H](C)C1 83506086 572326473 /nfs/dbraw/zinc/32/64/73/572326473.db2.gz MCQFBYAUZRCRPS-MNOVXSKESA-N 0 0 186.295 2.497 10 0 AEAERN COCC[C@](C)(O)CC1CCCC1 83503818 572326477 /nfs/dbraw/zinc/32/64/77/572326477.db2.gz POUGHXJRVPRWHK-NSHDSACASA-N 0 0 186.295 2.354 10 0 AEAERN CCC[C@@H](C)CC1(O)CCOCC1 83504158 572326486 /nfs/dbraw/zinc/32/64/86/572326486.db2.gz VENFZGPDALITNO-SNVBAGLBSA-N 0 0 186.295 2.354 10 0 AEAERN CC(C)C[C@@H]1CC[C@@H](O)C1 59787686 572326492 /nfs/dbraw/zinc/32/64/92/572326492.db2.gz GUSLPUXZPBPLOD-DTWKUNHWSA-N 0 0 142.242 2.194 10 0 AEAERN C[C@]1(O)C[C@@H]2CCCCC[C@H]2O1 255977754 572326496 /nfs/dbraw/zinc/32/64/96/572326496.db2.gz HXFRXMOKMGXICB-IVZWLZJFSA-N 0 0 170.252 2.064 10 0 AEAERN CC(C)(C)CC[C@H](O)[C@H]1CCOC1 83505108 572326543 /nfs/dbraw/zinc/32/65/43/572326543.db2.gz KHFKHCFTTKGXEC-UWVGGRQHSA-N 0 0 186.295 2.210 10 0 AEAERN CCCCO[C@H]1CCC(C)(C)[C@H]1O 86866648 572326556 /nfs/dbraw/zinc/32/65/56/572326556.db2.gz IULOPBMISYZSPV-UWVGGRQHSA-N 0 0 186.295 2.353 10 0 AEAERN CCC[C@@H](C)C[C@@H](O)c1cnn(C)c1 83504746 572326564 /nfs/dbraw/zinc/32/65/64/572326564.db2.gz QKXYQNRIOJKPJY-MWLCHTKSSA-N 0 0 196.294 2.280 10 0 AEAERN CCCCC[C@H](O)[C@H]1CCCOC1 83505512 572326568 /nfs/dbraw/zinc/32/65/68/572326568.db2.gz HJZKNRKSVWRYES-QWRGUYRKSA-N 0 0 186.295 2.354 10 0 AEAERN C/C=C(\C)[C@H](O)c1ccncc1 307974911 572326589 /nfs/dbraw/zinc/32/65/89/572326589.db2.gz DYEVSQLWODLETM-ANRVEHPFSA-N 0 0 163.220 2.081 10 0 AEAERN COC[C@](C)(O)CCC(C)(C)C 83503876 572326611 /nfs/dbraw/zinc/32/66/11/572326611.db2.gz ZIFKRZQJZFSKNQ-SNVBAGLBSA-N 0 0 174.284 2.210 10 0 AEAERN CCCC[C@@]1(O)CCO[C@H](CC)C1 83506167 572326625 /nfs/dbraw/zinc/32/66/25/572326625.db2.gz GPAGSUMIULKVRR-GHMZBOCLSA-N 0 0 186.295 2.497 10 0 AEAERN CCC[C@H](C)C[C@@H](O)c1cnn(C)c1 83504747 572326644 /nfs/dbraw/zinc/32/66/44/572326644.db2.gz QKXYQNRIOJKPJY-GXSJLCMTSA-N 0 0 196.294 2.280 10 0 AEAERN CCCCC[C@]1(O)CCO[C@@H](C)C1 83506088 572327228 /nfs/dbraw/zinc/32/72/28/572327228.db2.gz MCQFBYAUZRCRPS-QWRGUYRKSA-N 0 0 186.295 2.497 10 0 AEAERN CCC[NH2+][C@]1(C(=O)[O-])CCCC1(C)C 86866185 572326700 /nfs/dbraw/zinc/32/67/00/572326700.db2.gz SLKAFTSNTOCMFD-NSHDSACASA-N 0 0 199.294 2.020 10 0 AEAERN CCCC[C@@H](O)CC1CCOCC1 83505731 572326727 /nfs/dbraw/zinc/32/67/27/572326727.db2.gz AIKUKZYTHPMMDC-LLVKDONJSA-N 0 0 186.295 2.354 10 0 AEAERN C[C@@H]1Cc2c1c(=O)n(C)c1ccccc21 196354433 572326745 /nfs/dbraw/zinc/32/67/45/572326745.db2.gz 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572386458 /nfs/dbraw/zinc/38/64/58/572386458.db2.gz QBDNBOHKJFCKEW-UHFFFAOYSA-N 0 0 172.231 2.146 10 0 AEAERN CC[C@@H](O)CCc1ccc(O)cc1 87182131 572386459 /nfs/dbraw/zinc/38/64/59/572386459.db2.gz NAXYJFMBHVNDCG-SNVBAGLBSA-N 0 0 180.247 2.096 10 0 AEAERN CCCCC(=O)OC[C@H](F)CC 308001447 572383940 /nfs/dbraw/zinc/38/39/40/572383940.db2.gz ZSFVZMGAVHOHQK-MRVPVSSYSA-N 0 0 176.231 2.468 10 0 AEAERN CC[C@@H](C)[C@H](NN)C1CC(C2CC2)C1 714388695 572384060 /nfs/dbraw/zinc/38/40/60/572384060.db2.gz OGRYZJOJWBJHDA-RVHAWEMESA-N 0 0 196.338 2.301 10 0 AEAERN CCCCCC[C@H](O)c1c[nH]cn1 238225674 572384104 /nfs/dbraw/zinc/38/41/04/572384104.db2.gz KSILUSLPUXDJRP-JTQLQIEISA-N 0 0 182.267 2.414 10 0 AEAERN CCOCCC[C@@H](O)C1(CC)CC1 689451551 572384175 /nfs/dbraw/zinc/38/41/75/572384175.db2.gz YDKHNHKYKKJZRI-SNVBAGLBSA-N 0 0 186.295 2.354 10 0 AEAERN CCC(CC)n1cc(C(C)=O)cn1 87173809 572384222 /nfs/dbraw/zinc/38/42/22/572384222.db2.gz ZPGRZGKGHKVZPE-UHFFFAOYSA-N 0 0 180.251 2.447 10 0 AEAERN CC/C=C\C(=O)O[C@@H](C)C(F)F 308001563 572384296 /nfs/dbraw/zinc/38/42/96/572384296.db2.gz ZWIBPFGYBBBGPU-XSIKTDMUSA-N 0 0 178.178 2.149 10 0 AEAERN CC[C@@H](O)[C@H](C)Cc1ccc(O)cc1 87182248 572386430 /nfs/dbraw/zinc/38/64/30/572386430.db2.gz KRKNEHNUOOPOAO-BXKDBHETSA-N 0 0 194.274 2.342 10 0 AEAERN COCSc1cccc(OC)c1 308001819 572384477 /nfs/dbraw/zinc/38/44/77/572384477.db2.gz AGLCUPLJPBWWRZ-UHFFFAOYSA-N 0 0 184.260 2.391 10 0 AEAERN O=Cc1ccc(C=O)n1-c1ccccc1 238678306 572384489 /nfs/dbraw/zinc/38/44/89/572384489.db2.gz TUIAUGLIUNWWEO-UHFFFAOYSA-N 0 0 199.209 2.102 10 0 AEAERN FC(F)(F)CNCC1CC=CC1 83740843 572384490 /nfs/dbraw/zinc/38/44/90/572384490.db2.gz MRHWPWGHECSGRB-UHFFFAOYSA-N 0 0 179.185 2.105 10 0 AEAERN CCC[C@H](C)CC(=O)c1c[nH]nc1N 83747110 572384534 /nfs/dbraw/zinc/38/45/34/572384534.db2.gz TUNXAJXAFLATRP-ZETCQYMHSA-N 0 0 195.266 2.001 10 0 AEAERN CC/C=C/C(=O)O[C@@H](C)C(F)F 308001560 572384643 /nfs/dbraw/zinc/38/46/43/572384643.db2.gz ZWIBPFGYBBBGPU-OVCGOVNKSA-N 0 0 178.178 2.149 10 0 AEAERN CCCCCC[C@H](O)/C=C(/C)CO 238225611 572384701 /nfs/dbraw/zinc/38/47/01/572384701.db2.gz HBYGSYKQVZXUPE-IEHMKBBKSA-N 0 0 186.295 2.256 10 0 AEAERN CC/C=C/C(=O)O[C@H](C)C(F)F 308001558 572384705 /nfs/dbraw/zinc/38/47/05/572384705.db2.gz ZWIBPFGYBBBGPU-BMMSZFGTSA-N 0 0 178.178 2.149 10 0 AEAERN CCOCCC[C@H](O)C1(CC)CC1 689451549 572384710 /nfs/dbraw/zinc/38/47/10/572384710.db2.gz YDKHNHKYKKJZRI-JTQLQIEISA-N 0 0 186.295 2.354 10 0 AEAERN CC(C)SCc1ccnc(N)c1 52756500 572384731 /nfs/dbraw/zinc/38/47/31/572384731.db2.gz RHWLNAIGOMPHCB-UHFFFAOYSA-N 0 0 182.292 2.305 10 0 AEAERN CC(C)(C)c1cnc(CNC2CC2)o1 88300757 572384796 /nfs/dbraw/zinc/38/47/96/572384796.db2.gz YLDBRRVESZMFPR-UHFFFAOYSA-N 0 0 194.278 2.224 10 0 AEAERN Cn1cc(N)cc1-c1ccccc1 76599252 572384826 /nfs/dbraw/zinc/38/48/26/572384826.db2.gz AFMKZYFJVKPJRY-UHFFFAOYSA-N 0 0 172.231 2.274 10 0 AEAERN CC/C=C\C(=O)O[C@H](C)C(F)F 308001561 572384853 /nfs/dbraw/zinc/38/48/53/572384853.db2.gz ZWIBPFGYBBBGPU-WWVFMHICSA-N 0 0 178.178 2.149 10 0 AEAERN C=C=CCCCC[C@@H](O)CCCO 238680713 572385056 /nfs/dbraw/zinc/38/50/56/572385056.db2.gz XIKHFCSZXDHYEC-LLVKDONJSA-N 0 0 184.279 2.021 10 0 AEAERN CCC(CC)n1cc([C@H](C)O)cn1 87173941 572385134 /nfs/dbraw/zinc/38/51/34/572385134.db2.gz DMWYVHZYKMGTIP-QMMMGPOBSA-N 0 0 182.267 2.298 10 0 AEAERN Cc1cc2c(C=O)cccc2n1C 76599786 572387133 /nfs/dbraw/zinc/38/71/33/572387133.db2.gz PLPYQRWZEPBUDL-UHFFFAOYSA-N 0 0 173.215 2.299 10 0 AEAERN CCCP(=O)(CCC)CCO 238226067 572385322 /nfs/dbraw/zinc/38/53/22/572385322.db2.gz RIHYIMVDRQUMKJ-UHFFFAOYSA-N 0 0 178.212 2.162 10 0 AEAERN O=NN(Cc1cccc(O)c1)C1CC1 238678176 572385388 /nfs/dbraw/zinc/38/53/88/572385388.db2.gz DNSYXCLZNHYRMN-UHFFFAOYSA-N 0 0 192.218 2.038 10 0 AEAERN CCCCC(=O)CCC[C@@H](C)O 238223273 572385392 /nfs/dbraw/zinc/38/53/92/572385392.db2.gz KQPIBBXEIXKLGX-SECBINFHSA-N 0 0 172.268 2.297 10 0 AEAERN CCn1cc([C@@H]2CCCCC2=O)cn1 60710673 572385398 /nfs/dbraw/zinc/38/53/98/572385398.db2.gz MCTHPLOJBWPHJS-JTQLQIEISA-N 0 0 192.262 2.130 10 0 AEAERN O=C1CCCC[C@H]1c1cncc(F)c1 60710648 572385404 /nfs/dbraw/zinc/38/54/04/572385404.db2.gz DZUIINDXALESEH-JTQLQIEISA-N 0 0 193.221 2.447 10 0 AEAERN CCC(=O)NC[C@@H](CC)C(C)C 308001931 572385420 /nfs/dbraw/zinc/38/54/20/572385420.db2.gz AJULSLRQLXMMNZ-SECBINFHSA-N 0 0 171.284 2.195 10 0 AEAERN CCCCC(=O)CSC(C)=O 238223590 572385471 /nfs/dbraw/zinc/38/54/71/572385471.db2.gz XGTRDMNYDTVJLM-UHFFFAOYSA-N 0 0 174.265 2.025 10 0 AEAERN CCn1cc([C@H]2CCCCC2=O)cn1 60710677 572385488 /nfs/dbraw/zinc/38/54/88/572385488.db2.gz MCTHPLOJBWPHJS-SNVBAGLBSA-N 0 0 192.262 2.130 10 0 AEAERN CCCNc1cc(COCC)ccn1 52734248 572385526 /nfs/dbraw/zinc/38/55/26/572385526.db2.gz UEZAXTAQRYWMPD-UHFFFAOYSA-N 0 0 194.278 2.440 10 0 AEAERN CC/C=C/OCCCCCCO 238223299 572385544 /nfs/dbraw/zinc/38/55/44/572385544.db2.gz AMPJDFKJPIDIER-YCRREMRBSA-N 0 0 172.268 2.479 10 0 AEAERN CCSCc1cccnc1NC 52755848 572385570 /nfs/dbraw/zinc/38/55/70/572385570.db2.gz WXADKSPRONOZLI-UHFFFAOYSA-N 0 0 182.292 2.376 10 0 AEAERN CCCc1nc(C)c(C[NH2+]CC)o1 238225986 572385571 /nfs/dbraw/zinc/38/55/71/572385571.db2.gz RQJOZWPYUKCUSM-UHFFFAOYSA-N 0 0 182.267 2.045 10 0 AEAERN CCC(CC)n1cc([C@@H](C)O)cn1 87173937 572385673 /nfs/dbraw/zinc/38/56/73/572385673.db2.gz DMWYVHZYKMGTIP-MRVPVSSYSA-N 0 0 182.267 2.298 10 0 AEAERN CCCCC(=O)C[C@@H](C)C(C)=O 238223602 572385734 /nfs/dbraw/zinc/38/57/34/572385734.db2.gz SERBQUJCWRNZNT-MRVPVSSYSA-N 0 0 170.252 2.361 10 0 AEAERN Nc1ccccc1OCOCC1CC1 236339012 572385817 /nfs/dbraw/zinc/38/58/17/572385817.db2.gz PXUPYILGIHLAFF-UHFFFAOYSA-N 0 0 193.246 2.032 10 0 AEAERN CCCCCC[C@H]1CC(=O)NC(C)=[NH+]1 238226140 572385876 /nfs/dbraw/zinc/38/58/76/572385876.db2.gz SAISWSDRKFZVJS-JTQLQIEISA-N 0 0 196.294 2.264 10 0 AEAERN CCC(CC)n1nc(C)c(CO)c1C 87173920 572385912 /nfs/dbraw/zinc/38/59/12/572385912.db2.gz UYTQDGDQKHVBBJ-UHFFFAOYSA-N 0 0 196.294 2.353 10 0 AEAERN CCCOCc1cccnc1NC 52755401 572385919 /nfs/dbraw/zinc/38/59/19/572385919.db2.gz PRYNLBCFCGZCJR-UHFFFAOYSA-N 0 0 180.251 2.050 10 0 AEAERN CCCCNC(=O)C1C=CC=CC=C1 238225889 572386068 /nfs/dbraw/zinc/38/60/68/572386068.db2.gz FEHAIWXHWIQPKT-UHFFFAOYSA-N 0 0 191.274 2.201 10 0 AEAERN c1csc(NC2CSC2)c1 76598911 572386078 /nfs/dbraw/zinc/38/60/78/572386078.db2.gz SCJDOHFOPFJUBY-UHFFFAOYSA-N 0 0 171.290 2.275 10 0 AEAERN CCCc1nc(C(C)C)ncc1CO 238225396 572386106 /nfs/dbraw/zinc/38/61/06/572386106.db2.gz WOTHYTDNCLRQKJ-UHFFFAOYSA-N 0 0 194.278 2.045 10 0 AEAERN Cn1ccc(N)c1-c1ccccc1 76599255 572386445 /nfs/dbraw/zinc/38/64/45/572386445.db2.gz XIRRNSCRCHENPW-UHFFFAOYSA-N 0 0 172.231 2.274 10 0 AEAERN OCCc1cccc(OCC2CC2)c1 238686977 572386259 /nfs/dbraw/zinc/38/62/59/572386259.db2.gz RVSJKRFHTGGUHX-UHFFFAOYSA-N 0 0 192.258 2.010 10 0 AEAERN CCCCC[C@@]1(O)CCCC1=O 238225259 572386325 /nfs/dbraw/zinc/38/63/25/572386325.db2.gz ZWBCQNLNQLHMNQ-SNVBAGLBSA-N 0 0 170.252 2.051 10 0 AEAERN O=C1CCCC[C@@H]1c1cncc(F)c1 60710651 572386403 /nfs/dbraw/zinc/38/64/03/572386403.db2.gz DZUIINDXALESEH-SNVBAGLBSA-N 0 0 193.221 2.447 10 0 AEAERN CC[C@@H](Cc1ccc(O)cc1)[C@@H](C)O 87182099 572387167 /nfs/dbraw/zinc/38/71/67/572387167.db2.gz ZWAQYOOZNONRNS-KOLCDFICSA-N 0 0 194.274 2.342 10 0 AEAERN Oc1cccc(CC[C@H](O)C2CC2)c1 87182239 572386595 /nfs/dbraw/zinc/38/65/95/572386595.db2.gz ASOBEBBGYILAID-LBPRGKRZSA-N 0 0 192.258 2.096 10 0 AEAERN Cc1cc(C=O)c2ccn(C)c2c1 76599793 572387184 /nfs/dbraw/zinc/38/71/84/572387184.db2.gz XBJXZVKPBKLVIO-UHFFFAOYSA-N 0 0 173.215 2.299 10 0 AEAERN CC(=O)CCc1ccc(Cl)o1 76599571 572386653 /nfs/dbraw/zinc/38/66/53/572386653.db2.gz BFNFVMPQAKDMDA-UHFFFAOYSA-N 0 0 172.611 2.455 10 0 AEAERN CC[C@H](C)[C@H]1CSCCC1=O 76599497 572386697 /nfs/dbraw/zinc/38/66/97/572386697.db2.gz SVDNJJOSHRXASO-JGVFFNPUSA-N 0 0 172.293 2.355 10 0 AEAERN CC[C@H](C)[C@@H]1CCSCC1=O 76599501 572386723 /nfs/dbraw/zinc/38/67/23/572386723.db2.gz FHVPGSIGBPYKRW-YUMQZZPRSA-N 0 0 172.293 2.355 10 0 AEAERN CC[C@H](O)CCc1cccc(O)c1 87182133 572386743 /nfs/dbraw/zinc/38/67/43/572386743.db2.gz FMHMEHKDSORZSR-JTQLQIEISA-N 0 0 180.247 2.096 10 0 AEAERN CCC(CC)n1nnc(N)c1C1CC1 87177813 572386758 /nfs/dbraw/zinc/38/67/58/572386758.db2.gz HJTLONMEYGWTAO-UHFFFAOYSA-N 0 0 194.282 2.099 10 0 AEAERN OCCc1ccc(-c2ccccc2)nc1 238686437 572386763 /nfs/dbraw/zinc/38/67/63/572386763.db2.gz VNGXTYKBERCSAU-UHFFFAOYSA-N 0 0 199.253 2.283 10 0 AEAERN CC[C@H](O)[C@@H](C)Cc1ccc(O)cc1 87182242 572386776 /nfs/dbraw/zinc/38/67/76/572386776.db2.gz KRKNEHNUOOPOAO-CABZTGNLSA-N 0 0 194.274 2.342 10 0 AEAERN CC[C@H](O)CCCc1cccc(O)c1 87184107 572386826 /nfs/dbraw/zinc/38/68/26/572386826.db2.gz OEXGZNZBDNSVPY-NSHDSACASA-N 0 0 194.274 2.486 10 0 AEAERN CC[C@H](O)[C@H](C)Cc1cccc(O)c1 87182253 572386868 /nfs/dbraw/zinc/38/68/68/572386868.db2.gz MLRRUGBEEPKYPY-SKDRFNHKSA-N 0 0 194.274 2.342 10 0 AEAERN CC(C)[C@@H](O)CCc1ccc(O)cc1 87182139 572386884 /nfs/dbraw/zinc/38/68/84/572386884.db2.gz OMHXWUHCGQGLOJ-LBPRGKRZSA-N 0 0 194.274 2.342 10 0 AEAERN CCC(=O)CCc1cccc(O)c1 87178647 572386890 /nfs/dbraw/zinc/38/68/90/572386890.db2.gz CCGUNRRATHDAAP-UHFFFAOYSA-N 0 0 178.231 2.304 10 0 AEAERN CCC[C@H](O)CCc1ccc(O)cc1 87182114 572386936 /nfs/dbraw/zinc/38/69/36/572386936.db2.gz YZWXEKGMQIAKAD-NSHDSACASA-N 0 0 194.274 2.486 10 0 AEAERN CC[C@H](Cc1ccc(O)cc1)[C@H](C)O 87182104 572387024 /nfs/dbraw/zinc/38/70/24/572387024.db2.gz ZWAQYOOZNONRNS-GXSJLCMTSA-N 0 0 194.274 2.342 10 0 AEAERN CCCC[C@H](NC(=O)CC)C(=O)CC 238226590 572387061 /nfs/dbraw/zinc/38/70/61/572387061.db2.gz ZOGMZCMSEZNOQB-VIFPVBQESA-N 0 0 199.294 2.051 10 0 AEAERN CC[C@H](C)[C@H]1CCSCC1=O 76599507 572387092 /nfs/dbraw/zinc/38/70/92/572387092.db2.gz FHVPGSIGBPYKRW-JGVFFNPUSA-N 0 0 172.293 2.355 10 0 AEAERN CC(C)C[C@H]1CCSCC1=O 76599524 572387322 /nfs/dbraw/zinc/38/73/22/572387322.db2.gz NDOZVCRSCGPSOA-MRVPVSSYSA-N 0 0 172.293 2.355 10 0 AEAERN Cc1ccc2ccn(C)c2c1C=O 76599781 572387835 /nfs/dbraw/zinc/38/78/35/572387835.db2.gz ZSPLGPTXIFCSQU-UHFFFAOYSA-N 0 0 173.215 2.299 10 0 AEAERN CCC(=O)[C@@H](CCO)c1ccccc1 238224905 572387864 /nfs/dbraw/zinc/38/78/64/572387864.db2.gz LQNVUIXUCCBPIA-NSHDSACASA-N 0 0 192.258 2.132 10 0 AEAERN CC[C@@H](O)CCc1cccc(O)c1 87182135 572387865 /nfs/dbraw/zinc/38/78/65/572387865.db2.gz FMHMEHKDSORZSR-SNVBAGLBSA-N 0 0 180.247 2.096 10 0 AEAERN CCC[C@@H](O)CCc1cccc(O)c1 87182120 572387385 /nfs/dbraw/zinc/38/73/85/572387385.db2.gz OBAOWIJOXYMTAE-LLVKDONJSA-N 0 0 194.274 2.486 10 0 AEAERN CC[C@@H](C)[C@@H]1CCSCC1=O 76599499 572387412 /nfs/dbraw/zinc/38/74/12/572387412.db2.gz FHVPGSIGBPYKRW-SFYZADRCSA-N 0 0 172.293 2.355 10 0 AEAERN CC(C)[C@H](O)CCc1ccc(O)cc1 87182137 572387478 /nfs/dbraw/zinc/38/74/78/572387478.db2.gz OMHXWUHCGQGLOJ-GFCCVEGCSA-N 0 0 194.274 2.342 10 0 AEAERN CC[C@H](Cc1cccc(O)c1)[C@H](C)O 87182112 572387574 /nfs/dbraw/zinc/38/75/74/572387574.db2.gz JDODUDUISJEZOJ-GXSJLCMTSA-N 0 0 194.274 2.342 10 0 AEAERN CCCc1nc(CC)c(C=O)s1 238226625 572388705 /nfs/dbraw/zinc/38/87/05/572388705.db2.gz LURXYKMOXIISIR-UHFFFAOYSA-N 0 0 183.276 2.471 10 0 AEAERN CCC[C@@H](C)CC(=O)c1c[nH]nc1N 83747109 572387641 /nfs/dbraw/zinc/38/76/41/572387641.db2.gz TUNXAJXAFLATRP-SSDOTTSWSA-N 0 0 195.266 2.001 10 0 AEAERN CCC[C@H](O)CCc1cccc(O)c1 87182118 572388901 /nfs/dbraw/zinc/38/89/01/572388901.db2.gz OBAOWIJOXYMTAE-NSHDSACASA-N 0 0 194.274 2.486 10 0 AEAERN CC[C@H](Cc1ccc(O)cc1)[C@@H](C)O 87182101 572387696 /nfs/dbraw/zinc/38/76/96/572387696.db2.gz ZWAQYOOZNONRNS-MWLCHTKSSA-N 0 0 194.274 2.342 10 0 AEAERN O[C@@H]1CC[C@@H]2SCCC[C@H]2C1 76599553 572387724 /nfs/dbraw/zinc/38/77/24/572387724.db2.gz AXKKFBBGNWBADM-YIZRAAEISA-N 0 0 172.293 2.043 10 0 AEAERN CC[C@@H](O)[C@H](C)Cc1cccc(O)c1 87182255 572387914 /nfs/dbraw/zinc/38/79/14/572387914.db2.gz MLRRUGBEEPKYPY-BXKDBHETSA-N 0 0 194.274 2.342 10 0 AEAERN CC[C@@H](C)[C@H]1CCSCC1=O 76599504 572387930 /nfs/dbraw/zinc/38/79/30/572387930.db2.gz FHVPGSIGBPYKRW-HTQZYQBOSA-N 0 0 172.293 2.355 10 0 AEAERN CC[C@@H](Cc1cccc(O)c1)[C@H](C)O 87182110 572387947 /nfs/dbraw/zinc/38/79/47/572387947.db2.gz JDODUDUISJEZOJ-ONGXEEELSA-N 0 0 194.274 2.342 10 0 AEAERN Oc1ccc(CC[C@@H](O)C2CC2)cc1 87182237 572387954 /nfs/dbraw/zinc/38/79/54/572387954.db2.gz JKLPURZWFQDNDC-GFCCVEGCSA-N 0 0 192.258 2.096 10 0 AEAERN C[C@H](O)CCCc1cccc(O)c1 87184044 572388026 /nfs/dbraw/zinc/38/80/26/572388026.db2.gz PKHUNDXSLUQJMB-VIFPVBQESA-N 0 0 180.247 2.096 10 0 AEAERN CCOCOc1ccc(C)cc1C=O 83756150 572388081 /nfs/dbraw/zinc/38/80/81/572388081.db2.gz WKDDHFCTSIETLH-UHFFFAOYSA-N 0 0 194.230 2.180 10 0 AEAERN CC[C@@H](O)CCCc1ccc(O)cc1 87184115 572388094 /nfs/dbraw/zinc/38/80/94/572388094.db2.gz KKUONWFXBKFATQ-LLVKDONJSA-N 0 0 194.274 2.486 10 0 AEAERN CC[C@@H](Cc1cccc(O)c1)[C@@H](C)O 87182106 572388115 /nfs/dbraw/zinc/38/81/15/572388115.db2.gz JDODUDUISJEZOJ-KOLCDFICSA-N 0 0 194.274 2.342 10 0 AEAERN CC[C@H](O)c1ccccc1OCOC 83749068 572388143 /nfs/dbraw/zinc/38/81/43/572388143.db2.gz HYXYUGACONRPTF-JTQLQIEISA-N 0 0 196.246 2.113 10 0 AEAERN CCCCC[C@@]1(C)C[C@@H](CO)O1 238224864 572388148 /nfs/dbraw/zinc/38/81/48/572388148.db2.gz QBAGBGFZMUFDGJ-UWVGGRQHSA-N 0 0 172.268 2.107 10 0 AEAERN Cc1ccc2cc(C=O)n(C)c2c1 76599766 572388205 /nfs/dbraw/zinc/38/82/05/572388205.db2.gz SCUHMPBADPYJFG-UHFFFAOYSA-N 0 0 173.215 2.299 10 0 AEAERN CCCc1c(N)nnn1C(CC)CC 87177808 572388256 /nfs/dbraw/zinc/38/82/56/572388256.db2.gz UEBVXOFHUOQIDN-UHFFFAOYSA-N 0 0 196.298 2.174 10 0 AEAERN c1nc2cc(NC3CC3)ccc2[nH]1 76599811 572388257 /nfs/dbraw/zinc/38/82/57/572388257.db2.gz KBWAZQSWKJKJHA-UHFFFAOYSA-N 0 0 173.219 2.137 10 0 AEAERN OCCCSCc1ccc(O)cc1 87179263 572388297 /nfs/dbraw/zinc/38/82/97/572388297.db2.gz LUAXZYGLXPFUJF-UHFFFAOYSA-N 0 0 198.287 2.008 10 0 AEAERN CCOCOc1cc(C)c(N)cc1C 83755881 572388377 /nfs/dbraw/zinc/38/83/77/572388377.db2.gz ISVYEUJYGOBUQR-UHFFFAOYSA-N 0 0 195.262 2.258 10 0 AEAERN Cc1ccc2c(ccn2C)c1C=O 76599795 572388381 /nfs/dbraw/zinc/38/83/81/572388381.db2.gz DTMVCFOFTSZESY-UHFFFAOYSA-N 0 0 173.215 2.299 10 0 AEAERN CCCCC[C@H](C)COCCO 238226201 572388402 /nfs/dbraw/zinc/38/84/02/572388402.db2.gz VWAMRCFOIOVHBL-JTQLQIEISA-N 0 0 174.284 2.212 10 0 AEAERN O=C(CCc1cccc(O)c1)C1CC1 87178725 572388424 /nfs/dbraw/zinc/38/84/24/572388424.db2.gz YTFLWUIBRCFFFE-UHFFFAOYSA-N 0 0 190.242 2.304 10 0 AEAERN CC[C@H](O)[C@H](C)Cc1ccc(O)cc1 87182245 572388460 /nfs/dbraw/zinc/38/84/60/572388460.db2.gz KRKNEHNUOOPOAO-SKDRFNHKSA-N 0 0 194.274 2.342 10 0 AEAERN Cc1c(Br)ccn1C 76600134 572388474 /nfs/dbraw/zinc/38/84/74/572388474.db2.gz FEKFRIYSGCZUQC-UHFFFAOYSA-N 0 0 174.041 2.096 10 0 AEAERN CC[C@@H](O)CCCc1cccc(O)c1 87184109 572388476 /nfs/dbraw/zinc/38/84/76/572388476.db2.gz OEXGZNZBDNSVPY-LLVKDONJSA-N 0 0 194.274 2.486 10 0 AEAERN COCOc1ccc(C)cc1[C@H](C)O 83749079 572388501 /nfs/dbraw/zinc/38/85/01/572388501.db2.gz AXEXHWQYVZYDMI-VIFPVBQESA-N 0 0 196.246 2.031 10 0 AEAERN CCC(CC)C1(CO)CCOCC1 87176056 572388504 /nfs/dbraw/zinc/38/85/04/572388504.db2.gz ZPMRGZBRFFVODF-UHFFFAOYSA-N 0 0 186.295 2.212 10 0 AEAERN CCC[C@@H](O)CCc1ccc(O)cc1 87182116 572388516 /nfs/dbraw/zinc/38/85/16/572388516.db2.gz YZWXEKGMQIAKAD-LLVKDONJSA-N 0 0 194.274 2.486 10 0 AEAERN C[C@@H](O)CCCc1cccc(O)c1 87184046 572388529 /nfs/dbraw/zinc/38/85/29/572388529.db2.gz PKHUNDXSLUQJMB-SECBINFHSA-N 0 0 180.247 2.096 10 0 AEAERN C[C@@H](Cc1cccc(O)c1)C[C@@H](C)O 87184147 572388561 /nfs/dbraw/zinc/38/85/61/572388561.db2.gz FOHGUQQMOAHCCS-NXEZZACHSA-N 0 0 194.274 2.342 10 0 AEAERN CC(C)C[C@@H]1CCSCC1=O 76599522 572388580 /nfs/dbraw/zinc/38/85/80/572388580.db2.gz NDOZVCRSCGPSOA-QMMMGPOBSA-N 0 0 172.293 2.355 10 0 AEAERN CCCC(=O)C(C)(C)CC(C)=O 238224844 572388600 /nfs/dbraw/zinc/38/86/00/572388600.db2.gz GCZBUIOZACQKIP-UHFFFAOYSA-N 0 0 170.252 2.361 10 0 AEAERN CC[C@H](O)[C@@H](C)Cc1cccc(O)c1 87182250 572388693 /nfs/dbraw/zinc/38/86/93/572388693.db2.gz MLRRUGBEEPKYPY-CABZTGNLSA-N 0 0 194.274 2.342 10 0 AEAERN CC[C@@H](Cc1ccc(O)cc1)[C@H](C)O 87182102 572388653 /nfs/dbraw/zinc/38/86/53/572388653.db2.gz ZWAQYOOZNONRNS-ONGXEEELSA-N 0 0 194.274 2.342 10 0 AEAERN Oc1ccc(CC[C@H](O)C2CC2)cc1 87182235 572388664 /nfs/dbraw/zinc/38/86/64/572388664.db2.gz JKLPURZWFQDNDC-LBPRGKRZSA-N 0 0 192.258 2.096 10 0 AEAERN C=C=CCC[C@@H](O)c1ccco1 238700399 572388788 /nfs/dbraw/zinc/38/87/88/572388788.db2.gz KEAMKILNBXNUNW-SECBINFHSA-N 0 0 164.204 2.434 10 0 AEAERN CC(C)[C@@H](O)CCc1cccc(O)c1 87182143 572388791 /nfs/dbraw/zinc/38/87/91/572388791.db2.gz XCZJYORPKUIVMO-LBPRGKRZSA-N 0 0 194.274 2.342 10 0 AEAERN Oc1cccc(CC[C@@H](O)C2CC2)c1 87182240 572388833 /nfs/dbraw/zinc/38/88/33/572388833.db2.gz ASOBEBBGYILAID-GFCCVEGCSA-N 0 0 192.258 2.096 10 0 AEAERN OCCCSCc1cccc(O)c1 87179261 572388989 /nfs/dbraw/zinc/38/89/89/572388989.db2.gz YZRLIKOQRBRGQK-UHFFFAOYSA-N 0 0 198.287 2.008 10 0 AEAERN O=C(CCc1ccc(O)cc1)C1CC1 87178727 572389036 /nfs/dbraw/zinc/38/90/36/572389036.db2.gz RJWRZYWTURANBA-UHFFFAOYSA-N 0 0 190.242 2.304 10 0 AEAERN CC[C@@H](O)[C@@H](C)Cc1cccc(O)c1 87182251 572389078 /nfs/dbraw/zinc/38/90/78/572389078.db2.gz MLRRUGBEEPKYPY-JOYOIKCWSA-N 0 0 194.274 2.342 10 0 AEAERN CC[C@H](Cc1cccc(O)c1)[C@@H](C)O 87182108 572389117 /nfs/dbraw/zinc/38/91/17/572389117.db2.gz JDODUDUISJEZOJ-MWLCHTKSSA-N 0 0 194.274 2.342 10 0 AEAERN CC(C)(C)C[C@H]1CSCC1=O 76599510 572389180 /nfs/dbraw/zinc/38/91/80/572389180.db2.gz VQXTWRYKAUIPHL-ZETCQYMHSA-N 0 0 172.293 2.355 10 0 AEAERN COC[C@@H](O)C1=CCCCCCC1 234706372 572389187 /nfs/dbraw/zinc/38/91/87/572389187.db2.gz OBTITXHZHAECGO-LLVKDONJSA-N 0 0 184.279 2.274 10 0 AEAERN Cc1c(C=O)ccc2c1ccn2C 76599773 572389258 /nfs/dbraw/zinc/38/92/58/572389258.db2.gz VBSMYVFPSYHMOQ-UHFFFAOYSA-N 0 0 173.215 2.299 10 0 AEAERN CC[C@@H](O)[C@@H](C)Cc1ccc(O)cc1 87182244 572389274 /nfs/dbraw/zinc/38/92/74/572389274.db2.gz KRKNEHNUOOPOAO-JOYOIKCWSA-N 0 0 194.274 2.342 10 0 AEAERN CC[C@H](O)c1ccc(OCOC)cc1 83749076 572389319 /nfs/dbraw/zinc/38/93/19/572389319.db2.gz LGIPNIZQPMQELF-NSHDSACASA-N 0 0 196.246 2.113 10 0 AEAERN CCCCC[C@@]1(C)C[C@H](CO)O1 238224882 572389328 /nfs/dbraw/zinc/38/93/28/572389328.db2.gz QBAGBGFZMUFDGJ-ZJUUUORDSA-N 0 0 172.268 2.107 10 0 AEAERN CC[C@@H](C)[C@H]1CSCCC1=O 76599494 572389375 /nfs/dbraw/zinc/38/93/75/572389375.db2.gz SVDNJJOSHRXASO-HTQZYQBOSA-N 0 0 172.293 2.355 10 0 AEAERN COCOc1c(C)cc(C=O)cc1C 83748967 572389415 /nfs/dbraw/zinc/38/94/15/572389415.db2.gz PLTHRUKQTSGUBT-UHFFFAOYSA-N 0 0 194.230 2.099 10 0 AEAERN CCOCOc1c(C)cc(C)cc1N 83755876 572389518 /nfs/dbraw/zinc/38/95/18/572389518.db2.gz UPOAACNUINEAJT-UHFFFAOYSA-N 0 0 195.262 2.258 10 0 AEAERN CC(C)(C)CO[C@H](O)C(C)(C)C 114421532 572389532 /nfs/dbraw/zinc/38/95/32/572389532.db2.gz LNVJBCVSLPMWPS-QMMMGPOBSA-N 0 0 174.284 2.414 10 0 AEAERN CCOCOc1ccc(F)cc1 83756645 572389653 /nfs/dbraw/zinc/38/96/53/572389653.db2.gz KFCTVWDYXGQALV-UHFFFAOYSA-N 0 0 170.183 2.199 10 0 AEAERN CCCCCC[C@H]1CNC(=S)O1 238226718 572389562 /nfs/dbraw/zinc/38/95/62/572389562.db2.gz KVBYNNJCBBFFBT-QMMMGPOBSA-N 0 0 187.308 2.230 10 0 AEAERN CCCc1nc(CC)c(C=O)o1 238226610 572389629 /nfs/dbraw/zinc/38/96/29/572389629.db2.gz NDAAPRUBADQXLQ-UHFFFAOYSA-N 0 0 167.208 2.002 10 0 AEAERN CC[C@@H](C)[C@@H]1CSCCC1=O 76599490 572389632 /nfs/dbraw/zinc/38/96/32/572389632.db2.gz SVDNJJOSHRXASO-SFYZADRCSA-N 0 0 172.293 2.355 10 0 AEAERN CCOCOc1cccc(F)c1 83756647 572389699 /nfs/dbraw/zinc/38/96/99/572389699.db2.gz UUBZWGGBEGMWBD-UHFFFAOYSA-N 0 0 170.183 2.199 10 0 AEAERN Cc1cc(C=O)c2c(ccn2C)c1 76599788 572389744 /nfs/dbraw/zinc/38/97/44/572389744.db2.gz RNCNHLBBDWWJDQ-UHFFFAOYSA-N 0 0 173.215 2.299 10 0 AEAERN C(=C\c1cncs1)\c1ccncn1 393725419 572389770 /nfs/dbraw/zinc/38/97/70/572389770.db2.gz NUBOMGWJVRAYBO-UPHRSURJSA-N 0 0 189.243 2.104 10 0 AEAERN Cc1cn(C)c2ccc(C=O)cc12 76599770 572389797 /nfs/dbraw/zinc/38/97/97/572389797.db2.gz FHMYNFFHXKSKSQ-UHFFFAOYSA-N 0 0 173.215 2.299 10 0 AEAERN CCOCOc1ccccc1C 83756641 572389820 /nfs/dbraw/zinc/38/98/20/572389820.db2.gz UYROQDOCMHNHJG-UHFFFAOYSA-N 0 0 166.220 2.368 10 0 AEAERN CC(C)(C)C[C@@H]1CSCC1=O 76599508 572389907 /nfs/dbraw/zinc/38/99/07/572389907.db2.gz VQXTWRYKAUIPHL-SSDOTTSWSA-N 0 0 172.293 2.355 10 0 AEAERN O[C@@H]1CC[C@@H]2SCCC[C@@H]2C1 76599551 572389917 /nfs/dbraw/zinc/38/99/17/572389917.db2.gz AXKKFBBGNWBADM-HLTSFMKQSA-N 0 0 172.293 2.043 10 0 AEAERN CCCn1ncc(SC(C)C)c1N 87196250 572389975 /nfs/dbraw/zinc/38/99/75/572389975.db2.gz SHGNFZQXMKMTIE-UHFFFAOYSA-N 0 0 199.323 2.376 10 0 AEAERN Cc1c(C=O)c(Cl)n(C)c1C 76599052 572389980 /nfs/dbraw/zinc/38/99/80/572389980.db2.gz RGKMPHUOJKKNCM-UHFFFAOYSA-N 0 0 171.627 2.108 10 0 AEAERN COCSc1ccc([C@@H](C)O)cc1 83755800 572389942 /nfs/dbraw/zinc/38/99/42/572389942.db2.gz WHXOSXAZIHWXAE-MRVPVSSYSA-N 0 0 198.287 2.436 10 0 AEAERN Cc1c(C=O)ccc2ccn(C)c12 76599776 572389951 /nfs/dbraw/zinc/38/99/51/572389951.db2.gz YOHUQRFZFKQDSY-UHFFFAOYSA-N 0 0 173.215 2.299 10 0 AEAERN CCCC(=O)CC[C@H](CC)NC(C)=O 238228371 572390621 /nfs/dbraw/zinc/39/06/21/572390621.db2.gz OKGKDVPXJVFECJ-JTQLQIEISA-N 0 0 199.294 2.051 10 0 AEAERN CCOCOc1ccccc1[C@H](C)O 83756240 572390173 /nfs/dbraw/zinc/39/01/73/572390173.db2.gz UPIVLQCVMZHVMP-VIFPVBQESA-N 0 0 196.246 2.113 10 0 AEAERN CCOCOc1ccc([C@H](C)O)cc1 83756236 572390286 /nfs/dbraw/zinc/39/02/86/572390286.db2.gz RYIKGWBAMIKJBA-VIFPVBQESA-N 0 0 196.246 2.113 10 0 AEAERN CCOCOc1ccc(C)cc1 83756644 572390406 /nfs/dbraw/zinc/39/04/06/572390406.db2.gz BJHFFBLZQNKMDN-UHFFFAOYSA-N 0 0 166.220 2.368 10 0 AEAERN CCSc1cnn(CC(C)C)c1N 87196225 572390458 /nfs/dbraw/zinc/39/04/58/572390458.db2.gz NDGKHCVURGBUQM-UHFFFAOYSA-N 0 0 199.323 2.233 10 0 AEAERN C[C@@H](Cc1ccc(O)cc1)C[C@@H](C)O 87184156 572390500 /nfs/dbraw/zinc/39/05/00/572390500.db2.gz HGGNQECLDYXLNM-NXEZZACHSA-N 0 0 194.274 2.342 10 0 AEAERN CCc1c(N)c2ccccc2n1C 76600468 572390945 /nfs/dbraw/zinc/39/09/45/572390945.db2.gz KMSWJGJXDLMLGQ-UHFFFAOYSA-N 0 0 174.247 2.323 10 0 AEAERN CCOCSc1ccccc1N 83756187 572390519 /nfs/dbraw/zinc/39/05/19/572390519.db2.gz GCYHYUPUPWYGCT-UHFFFAOYSA-N 0 0 183.276 2.355 10 0 AEAERN CC[C@](C)(CO)Cc1cccc(O)c1 87184887 572390625 /nfs/dbraw/zinc/39/06/25/572390625.db2.gz GMKDOTQWPKCPOD-LBPRGKRZSA-N 0 0 194.274 2.343 10 0 AEAERN Cc1cc2n(c1)-c1ccoc1NC2 76600304 572390632 /nfs/dbraw/zinc/39/06/32/572390632.db2.gz UWBQLKWQEPCGGE-UHFFFAOYSA-N 0 0 174.203 2.304 10 0 AEAERN CCCCCC[C@H]1C[C@H]1C(N)=O 238227378 572390640 /nfs/dbraw/zinc/39/06/40/572390640.db2.gz WMDWNGVALHEFDW-DTWKUNHWSA-N 0 0 169.268 2.078 10 0 AEAERN COCOc1cc(C)ccc1[C@@H](C)O 83749104 572390666 /nfs/dbraw/zinc/39/06/66/572390666.db2.gz RIKFVXCVWQXAAN-SECBINFHSA-N 0 0 196.246 2.031 10 0 AEAERN CCCCOCC[C@H](C)CCO 238228355 572390672 /nfs/dbraw/zinc/39/06/72/572390672.db2.gz IDKPTFWLTPUZFI-SNVBAGLBSA-N 0 0 174.284 2.212 10 0 AEAERN CCOCOc1c(C)ccc(N)c1C 83755874 572390674 /nfs/dbraw/zinc/39/06/74/572390674.db2.gz RESWUSAUPYAKHA-UHFFFAOYSA-N 0 0 195.262 2.258 10 0 AEAERN COCSc1cccc([C@H](C)O)c1 83755801 572390708 /nfs/dbraw/zinc/39/07/08/572390708.db2.gz KJOXEQPLMDYRHX-QMMMGPOBSA-N 0 0 198.287 2.436 10 0 AEAERN CCC[C@H](CO)Cc1ccc(O)cc1 87184899 572390719 /nfs/dbraw/zinc/39/07/19/572390719.db2.gz FTDBBLDMAPEJLE-NSHDSACASA-N 0 0 194.274 2.343 10 0 AEAERN CCc1c(N)ccc2c1ccn2C 76600458 572390736 /nfs/dbraw/zinc/39/07/36/572390736.db2.gz ALTUDKGYWHJDAN-UHFFFAOYSA-N 0 0 174.247 2.323 10 0 AEAERN CCCCCC[C@H]1C[C@@H]1CC(N)=O 238227143 572390757 /nfs/dbraw/zinc/39/07/57/572390757.db2.gz NLPMXNRLXLNJGW-VHSXEESVSA-N 0 0 183.295 2.468 10 0 AEAERN CCC[C@H](CO)Cc1cccc(O)c1 87184903 572390777 /nfs/dbraw/zinc/39/07/77/572390777.db2.gz ONVDWKUEXZDYEZ-NSHDSACASA-N 0 0 194.274 2.343 10 0 AEAERN COCOc1ccc(C)cc1[C@@H](C)O 83749078 572390794 /nfs/dbraw/zinc/39/07/94/572390794.db2.gz AXEXHWQYVZYDMI-SECBINFHSA-N 0 0 196.246 2.031 10 0 AEAERN COCSc1ccc([C@H](C)O)cc1 83755799 572390810 /nfs/dbraw/zinc/39/08/10/572390810.db2.gz WHXOSXAZIHWXAE-QMMMGPOBSA-N 0 0 198.287 2.436 10 0 AEAERN Cn1ccc(-c2ccc(C=O)o2)c1 76600697 572390872 /nfs/dbraw/zinc/39/08/72/572390872.db2.gz DZALSSLJMHTYAX-UHFFFAOYSA-N 0 0 175.187 2.098 10 0 AEAERN CC[C@@](C)(CO)Cc1cccc(O)c1 87184889 572391085 /nfs/dbraw/zinc/39/10/85/572391085.db2.gz GMKDOTQWPKCPOD-GFCCVEGCSA-N 0 0 194.274 2.343 10 0 AEAERN CCCCNC(=O)C[Si](C)(C)C 238228301 572391113 /nfs/dbraw/zinc/39/11/13/572391113.db2.gz URQZRGNNOQNWDJ-UHFFFAOYSA-N 0 0 187.359 2.241 10 0 AEAERN Cc1cc2c(ccn2C)c(N)c1C 76600462 572391212 /nfs/dbraw/zinc/39/12/12/572391212.db2.gz QBYPOVZSCCPSDW-UHFFFAOYSA-N 0 0 174.247 2.377 10 0 AEAERN CCCCCC[C@H]1C[C@@H]1C(N)=O 238227113 572391229 /nfs/dbraw/zinc/39/12/29/572391229.db2.gz WMDWNGVALHEFDW-IUCAKERBSA-N 0 0 169.268 2.078 10 0 AEAERN CCOCSc1ccc(N)cc1 83756195 572391282 /nfs/dbraw/zinc/39/12/82/572391282.db2.gz KXTXLHWROAGYGX-UHFFFAOYSA-N 0 0 183.276 2.355 10 0 AEAERN Cc1cc(N)cc2cc(C)n(C)c12 76600465 572391302 /nfs/dbraw/zinc/39/13/02/572391302.db2.gz KWYOEVFLOSEVGC-UHFFFAOYSA-N 0 0 174.247 2.377 10 0 AEAERN CCCCCC[C@H]1OCCC1=O 238227990 572391321 /nfs/dbraw/zinc/39/13/21/572391321.db2.gz OTVNAXKIHITCRK-SNVBAGLBSA-N 0 0 170.252 2.315 10 0 AEAERN CCOCOc1cccc(C(C)=O)c1 83756094 572391433 /nfs/dbraw/zinc/39/14/33/572391433.db2.gz WFOCQJVCNYWSPT-UHFFFAOYSA-N 0 0 194.230 2.262 10 0 AEAERN CC(C)[C@@H](CO)Cc1cccc(O)c1 87184914 572391458 /nfs/dbraw/zinc/39/14/58/572391458.db2.gz ALVKKSUZCVFPMK-LLVKDONJSA-N 0 0 194.274 2.199 10 0 AEAERN CCCC(=O)CC1=CC[C@@H](C)O1 238227359 572391480 /nfs/dbraw/zinc/39/14/80/572391480.db2.gz JLQVRHLVAAOXED-MRVPVSSYSA-N 0 0 168.236 2.438 10 0 AEAERN CC(C)OC[C@@H](CO)C(C)(C)C 308007863 572391483 /nfs/dbraw/zinc/39/14/83/572391483.db2.gz DYBRCZSDTMRSJT-SECBINFHSA-N 0 0 174.284 2.066 10 0 AEAERN Cc1ccc2c(c(N)cn2C)c1C 76600437 572391559 /nfs/dbraw/zinc/39/15/59/572391559.db2.gz MFFMUKRFIVWEOA-UHFFFAOYSA-N 0 0 174.247 2.377 10 0 AEAERN CC[C@@H](O)c1ccc(OCOC)cc1 83749077 572391626 /nfs/dbraw/zinc/39/16/26/572391626.db2.gz LGIPNIZQPMQELF-LLVKDONJSA-N 0 0 196.246 2.113 10 0 AEAERN COC[C@H](C)Nc1cccc(C)c1N 234706731 572391637 /nfs/dbraw/zinc/39/16/37/572391637.db2.gz RKDCBAWZWNQBKQ-VIFPVBQESA-N 0 0 194.278 2.024 10 0 AEAERN CCC[C@@H](CO)Cc1cccc(O)c1 87184905 572391644 /nfs/dbraw/zinc/39/16/44/572391644.db2.gz ONVDWKUEXZDYEZ-LLVKDONJSA-N 0 0 194.274 2.343 10 0 AEAERN CCOCOc1ccc(CC)cc1N 83755886 572391659 /nfs/dbraw/zinc/39/16/59/572391659.db2.gz XXZCMASUPQLBKZ-UHFFFAOYSA-N 0 0 195.262 2.204 10 0 AEAERN CCC1(CC)NC(=O)C(CC)(CC)O1 238227668 572391702 /nfs/dbraw/zinc/39/17/02/572391702.db2.gz XZYYPSIJLMNUKU-UHFFFAOYSA-N 0 0 199.294 2.208 10 0 AEAERN CCOCOc1cccc([C@H](C)O)c1 83756244 572391768 /nfs/dbraw/zinc/39/17/68/572391768.db2.gz XEWOTOXEAIPLLG-VIFPVBQESA-N 0 0 196.246 2.113 10 0 AEAERN CCCCOC(=O)[C@H](F)C(C)C 308007140 572391752 /nfs/dbraw/zinc/39/17/52/572391752.db2.gz DOWLERMWZGUSLC-MRVPVSSYSA-N 0 0 176.231 2.324 10 0 AEAERN CCOCOc1ccccc1[C@@H](C)O 83756239 572391828 /nfs/dbraw/zinc/39/18/28/572391828.db2.gz UPIVLQCVMZHVMP-SECBINFHSA-N 0 0 196.246 2.113 10 0 AEAERN CCc1ccc2c(c1)c(N)cn2C 76600427 572392884 /nfs/dbraw/zinc/39/28/84/572392884.db2.gz SDAAXPQQTXPXOB-UHFFFAOYSA-N 0 0 174.247 2.323 10 0 AEAERN CCCC(=O)CC(C)(C)C(C)=O 238227150 572391843 /nfs/dbraw/zinc/39/18/43/572391843.db2.gz YUCPYFHYOALUCS-UHFFFAOYSA-N 0 0 170.252 2.361 10 0 AEAERN CCCCn1ncc(SCC)c1N 87196259 572391855 /nfs/dbraw/zinc/39/18/55/572391855.db2.gz VNBQSNWOANRQCT-UHFFFAOYSA-N 0 0 199.323 2.377 10 0 AEAERN CC(C)[C@H](CO)Cc1ccc(O)cc1 87184908 572391864 /nfs/dbraw/zinc/39/18/64/572391864.db2.gz VXUNHQJPTFIBAO-NSHDSACASA-N 0 0 194.274 2.199 10 0 AEAERN CC(C)[C@H](CO)Cc1cccc(O)c1 87184912 572391894 /nfs/dbraw/zinc/39/18/94/572391894.db2.gz ALVKKSUZCVFPMK-NSHDSACASA-N 0 0 194.274 2.199 10 0 AEAERN Cc1cc2n(c1)-c1cocc1NC2 76600302 572391935 /nfs/dbraw/zinc/39/19/35/572391935.db2.gz SWAWSPNTYOOOGA-UHFFFAOYSA-N 0 0 174.203 2.304 10 0 AEAERN CCc1ccccc1OCOC 83755810 572392032 /nfs/dbraw/zinc/39/20/32/572392032.db2.gz ASYHVUOFHHCJFC-UHFFFAOYSA-N 0 0 166.220 2.232 10 0 AEAERN CCCC(=O)CC1=CC[C@H](C)O1 238227374 572392955 /nfs/dbraw/zinc/39/29/55/572392955.db2.gz JLQVRHLVAAOXED-QMMMGPOBSA-N 0 0 168.236 2.438 10 0 AEAERN C[C@H](O)C[C@H](C)Cc1cccc(O)c1 87184153 572392068 /nfs/dbraw/zinc/39/20/68/572392068.db2.gz FOHGUQQMOAHCCS-UWVGGRQHSA-N 0 0 194.274 2.342 10 0 AEAERN Cc1cc2c(ccn2C)c(C)c1N 76600464 572392120 /nfs/dbraw/zinc/39/21/20/572392120.db2.gz KCJVPSFZVYUATH-UHFFFAOYSA-N 0 0 174.247 2.377 10 0 AEAERN COCOc1cc(C)ccc1[C@H](C)O 83749105 572392148 /nfs/dbraw/zinc/39/21/48/572392148.db2.gz RIKFVXCVWQXAAN-VIFPVBQESA-N 0 0 196.246 2.031 10 0 AEAERN CCCCOC(=O)[C@@H](F)C(C)C 308007142 572392152 /nfs/dbraw/zinc/39/21/52/572392152.db2.gz DOWLERMWZGUSLC-QMMMGPOBSA-N 0 0 176.231 2.324 10 0 AEAERN CCc1cccc(OCOC)c1 83755809 572392180 /nfs/dbraw/zinc/39/21/80/572392180.db2.gz RYRDRIKEEWEXRB-UHFFFAOYSA-N 0 0 166.220 2.232 10 0 AEAERN C[C@H](O)C[C@@H](C)Cc1ccc(O)cc1 87184160 572392262 /nfs/dbraw/zinc/39/22/62/572392262.db2.gz HGGNQECLDYXLNM-ZJUUUORDSA-N 0 0 194.274 2.342 10 0 AEAERN C[C@@H](O)C[C@H](C)Cc1ccc(O)cc1 87184158 572392270 /nfs/dbraw/zinc/39/22/70/572392270.db2.gz HGGNQECLDYXLNM-VHSXEESVSA-N 0 0 194.274 2.342 10 0 AEAERN CCCCOCC[C@@H](C)CCO 238227963 572392289 /nfs/dbraw/zinc/39/22/89/572392289.db2.gz IDKPTFWLTPUZFI-JTQLQIEISA-N 0 0 174.284 2.212 10 0 AEAERN COCSc1cccc([C@@H](C)O)c1 83755802 572392295 /nfs/dbraw/zinc/39/22/95/572392295.db2.gz KJOXEQPLMDYRHX-MRVPVSSYSA-N 0 0 198.287 2.436 10 0 AEAERN CCCCCC[C@@H]1C=CC(=O)N1 238227506 572392369 /nfs/dbraw/zinc/39/23/69/572392369.db2.gz AOCPGSLNMQYHEM-SECBINFHSA-N 0 0 167.252 2.011 10 0 AEAERN CC[C@@H](O)c1ccccc1OCOC 83749069 572392390 /nfs/dbraw/zinc/39/23/90/572392390.db2.gz HYXYUGACONRPTF-SNVBAGLBSA-N 0 0 196.246 2.113 10 0 AEAERN CCOCOc1ccc([C@@H](C)O)cc1 83756235 572392437 /nfs/dbraw/zinc/39/24/37/572392437.db2.gz RYIKGWBAMIKJBA-SECBINFHSA-N 0 0 196.246 2.113 10 0 AEAERN CCOCOc1cccc(O)c1C 83756326 572392464 /nfs/dbraw/zinc/39/24/64/572392464.db2.gz XHENWIFBRZYHSW-UHFFFAOYSA-N 0 0 182.219 2.073 10 0 AEAERN Cc1cc2c(N)cn(C)c2cc1C 76600436 572392711 /nfs/dbraw/zinc/39/27/11/572392711.db2.gz WRADAQMXZFHWHX-UHFFFAOYSA-N 0 0 174.247 2.377 10 0 AEAERN CCOCOc1c(C)cc(N)cc1C 83755883 572392742 /nfs/dbraw/zinc/39/27/42/572392742.db2.gz GTKMJFOVAGKWOU-UHFFFAOYSA-N 0 0 195.262 2.258 10 0 AEAERN CCOCOc1cccc([C@@H](C)O)c1 83756243 572392768 /nfs/dbraw/zinc/39/27/68/572392768.db2.gz XEWOTOXEAIPLLG-SECBINFHSA-N 0 0 196.246 2.113 10 0 AEAERN CCCCOC(=O)CSC(F)F 308007974 572392782 /nfs/dbraw/zinc/39/27/82/572392782.db2.gz DYCYNOPJWOCRAE-UHFFFAOYSA-N 0 0 198.234 2.286 10 0 AEAERN CCCC(=O)CC[C@@H](CC)NC(C)=O 238228194 572392790 /nfs/dbraw/zinc/39/27/90/572392790.db2.gz OKGKDVPXJVFECJ-SNVBAGLBSA-N 0 0 199.294 2.051 10 0 AEAERN CC[C@H](C)OC(=O)C1CC=CC1 308007711 572392992 /nfs/dbraw/zinc/39/29/92/572392992.db2.gz DWJHIYMNMSCQRT-QMMMGPOBSA-N 0 0 168.236 2.294 10 0 AEAERN c1nc2cc(NC3CC3)ccc2o1 76600310 572392844 /nfs/dbraw/zinc/39/28/44/572392844.db2.gz FQPFZSSBZWANIE-UHFFFAOYSA-N 0 0 174.203 2.402 10 0 AEAERN CC(C)[C@@H](CO)Cc1ccc(O)cc1 87184910 572392875 /nfs/dbraw/zinc/39/28/75/572392875.db2.gz VXUNHQJPTFIBAO-LLVKDONJSA-N 0 0 194.274 2.199 10 0 AEAERN CCCCCC[C@H]1C[C@H](CO)CO1 238227249 572392906 /nfs/dbraw/zinc/39/29/06/572392906.db2.gz JRLNCGHBVBTOCL-MNOVXSKESA-N 0 0 186.295 2.354 10 0 AEAERN CCCN(CC)c1nc(C)co1 308008338 572393011 /nfs/dbraw/zinc/39/30/11/572393011.db2.gz FACKTIYLAPVDFS-UHFFFAOYSA-N 0 0 168.240 2.219 10 0 AEAERN C[C@H](O)C[C@@H](C)Cc1cccc(O)c1 87184151 572393012 /nfs/dbraw/zinc/39/30/12/572393012.db2.gz FOHGUQQMOAHCCS-ZJUUUORDSA-N 0 0 194.274 2.342 10 0 AEAERN CC[C@@](C)(CO)Cc1ccc(O)cc1 87184886 572393033 /nfs/dbraw/zinc/39/30/33/572393033.db2.gz XEIJYCPJBLVUCA-GFCCVEGCSA-N 0 0 194.274 2.343 10 0 AEAERN CCCCCC[C@H]1C[C@@H](CO)CO1 238226962 572393054 /nfs/dbraw/zinc/39/30/54/572393054.db2.gz JRLNCGHBVBTOCL-QWRGUYRKSA-N 0 0 186.295 2.354 10 0 AEAERN Cc1c(N)cc(C)c2c1ccn2C 76600454 572393112 /nfs/dbraw/zinc/39/31/12/572393112.db2.gz VUOZESGDOZROFY-UHFFFAOYSA-N 0 0 174.247 2.377 10 0 AEAERN CCC[C@@H](CO)Cc1ccc(O)cc1 87184901 572393229 /nfs/dbraw/zinc/39/32/29/572393229.db2.gz FTDBBLDMAPEJLE-LLVKDONJSA-N 0 0 194.274 2.343 10 0 AEAERN Cc1cc(C)c2c(N)cn(C)c2c1 76600433 572393236 /nfs/dbraw/zinc/39/32/36/572393236.db2.gz GHGLYLJSUQPEBH-UHFFFAOYSA-N 0 0 174.247 2.377 10 0 AEAERN CCCCCC[C@H]1C[C@H]1CC(N)=O 238227406 572393364 /nfs/dbraw/zinc/39/33/64/572393364.db2.gz NLPMXNRLXLNJGW-UWVGGRQHSA-N 0 0 183.295 2.468 10 0 AEAERN Cc1ccc2c(N)cn(C)c2c1C 76600430 572393370 /nfs/dbraw/zinc/39/33/70/572393370.db2.gz HDBBOBWDXZCUBT-UHFFFAOYSA-N 0 0 174.247 2.377 10 0 AEAERN C[C@H](O)C[C@H](C)Cc1ccc(O)cc1 87184161 572393482 /nfs/dbraw/zinc/39/34/82/572393482.db2.gz HGGNQECLDYXLNM-UWVGGRQHSA-N 0 0 194.274 2.342 10 0 AEAERN CCc1cc2c(ccn2C)cc1N 76600450 572393436 /nfs/dbraw/zinc/39/34/36/572393436.db2.gz CEWOUKWNFJOLAO-UHFFFAOYSA-N 0 0 174.247 2.323 10 0 AEAERN CCCCCC[C@H]1NC(=O)C1(C)C 238227498 572393546 /nfs/dbraw/zinc/39/35/46/572393546.db2.gz RZBCMKSRARTZRP-SECBINFHSA-N 0 0 183.295 2.481 10 0 AEAERN CCCC(=O)CC(O)(CC)CC 238227294 572393647 /nfs/dbraw/zinc/39/36/47/572393647.db2.gz UMLZWYJQCNECPB-UHFFFAOYSA-N 0 0 172.268 2.297 10 0 AEAERN Cc1cc(N)c2ccn(C)c2c1C 76600460 572393765 /nfs/dbraw/zinc/39/37/65/572393765.db2.gz YBPMGTRPESIZRZ-UHFFFAOYSA-N 0 0 174.247 2.377 10 0 AEAERN CSCC(=O)C(C1CC1)C1CC1 308007284 572393806 /nfs/dbraw/zinc/39/38/06/572393806.db2.gz MXIBTQRFDYHZLA-UHFFFAOYSA-N 0 0 184.304 2.355 10 0 AEAERN Cc1cc(N)c2c(ccn2C)c1C 76600455 572393822 /nfs/dbraw/zinc/39/38/22/572393822.db2.gz LXNBDUWTUCXOLZ-UHFFFAOYSA-N 0 0 174.247 2.377 10 0 AEAERN CCCC(=O)CCC(=O)NC(C)(C)C 238227552 572393842 /nfs/dbraw/zinc/39/38/42/572393842.db2.gz IAAYAAUXJUFTTJ-UHFFFAOYSA-N 0 0 199.294 2.051 10 0 AEAERN CSc1cnn(CCC(C)C)c1N 87196159 572393948 /nfs/dbraw/zinc/39/39/48/572393948.db2.gz BSXZCUPKDVNABH-UHFFFAOYSA-N 0 0 199.323 2.233 10 0 AEAERN CCCSc1cnn(CCC)c1N 87196248 572394033 /nfs/dbraw/zinc/39/40/33/572394033.db2.gz NOBRDCAJAATTSM-UHFFFAOYSA-N 0 0 199.323 2.377 10 0 AEAERN C/C=C\[C@@H]1C[C@@H]2CCC[C@@H]2[C@H]1O 308008075 572394110 /nfs/dbraw/zinc/39/41/10/572394110.db2.gz NQVXOVRKSIEPHY-LIRYHXQOSA-N 0 0 166.264 2.360 10 0 AEAERN CCCCCC[C@H]1CO[C@H](O)C1 238226857 572394488 /nfs/dbraw/zinc/39/44/88/572394488.db2.gz 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c1csc(N[C@H]2CCCOC2)c1 76608210 572409087 /nfs/dbraw/zinc/40/90/87/572409087.db2.gz SOPNOUKTKZMJJC-QMMMGPOBSA-N 0 0 183.276 2.339 10 0 AEAERN CCC(=O)[C@H](CCO)c1ccccc1 238232228 572409110 /nfs/dbraw/zinc/40/91/10/572409110.db2.gz LQNVUIXUCCBPIA-LLVKDONJSA-N 0 0 192.258 2.132 10 0 AEAERN CCC[C@@H](CCC(C)=O)C(C)=O 238795295 572409127 /nfs/dbraw/zinc/40/91/27/572409127.db2.gz GKYRPJADVFZZLK-JTQLQIEISA-N 0 0 170.252 2.361 10 0 AEAERN O=Cc1cccc(-c2cccnc2)c1O 238715817 572409162 /nfs/dbraw/zinc/40/91/62/572409162.db2.gz RRMQSEFBHXLNKS-UHFFFAOYSA-N 0 0 199.209 2.267 10 0 AEAERN OCCCc1cncc2ccccc12 44382335 572409673 /nfs/dbraw/zinc/40/96/73/572409673.db2.gz VKKLDZTYSFTMLA-UHFFFAOYSA-N 0 0 187.242 2.160 10 0 AEAERN CCCC[C@@H]1NC(=O)O[C@@H]1CCC 238795331 572409183 /nfs/dbraw/zinc/40/91/83/572409183.db2.gz KSYYWIGRWFYKSB-DTWKUNHWSA-N 0 0 185.267 2.454 10 0 AEAERN CCC1(CC)CC[N@@H+](/C=C\C(=O)[O-])C1 87256688 572409188 /nfs/dbraw/zinc/40/91/88/572409188.db2.gz LDBUNVCJVRBIOY-ALCCZGGFSA-N 0 0 197.278 2.097 10 0 AEAERN OCCc1cc(F)cc(C(F)F)c1 44381705 572409210 /nfs/dbraw/zinc/40/92/10/572409210.db2.gz INQKVRHYSFUARU-UHFFFAOYSA-N 0 0 190.164 2.298 10 0 AEAERN Cc1cc(CCCO)sc1C 44382906 572409236 /nfs/dbraw/zinc/40/92/36/572409236.db2.gz NCFXTVQWLIKDJW-UHFFFAOYSA-N 0 0 170.277 2.290 10 0 AEAERN Cc1cc(F)cc(C)c1CCCO 44382828 572409252 /nfs/dbraw/zinc/40/92/52/572409252.db2.gz PLMCPCGQPYQDLA-UHFFFAOYSA-N 0 0 182.238 2.367 10 0 AEAERN CCCC[C@H](C=C=CCO)COC 238792766 572409680 /nfs/dbraw/zinc/40/96/80/572409680.db2.gz CEBYAXRRHDBPJQ-JDLXGLENSA-N 0 0 184.279 2.143 10 0 AEAERN c1scc2c1NC[C@H]1CCCN21 76604482 572409466 /nfs/dbraw/zinc/40/94/66/572409466.db2.gz CPYRMTCDXICLGO-SSDOTTSWSA-N 0 0 180.276 2.142 10 0 AEAERN CCCCO[C@@H](C)CCCCO 238232183 572409494 /nfs/dbraw/zinc/40/94/94/572409494.db2.gz MVGRTABTBMQCJT-JTQLQIEISA-N 0 0 174.284 2.354 10 0 AEAERN CC(C)[C@H]1CNc2cocc2N1C 76604338 572409540 /nfs/dbraw/zinc/40/95/40/572409540.db2.gz UKZAYPUGDDLMIH-SECBINFHSA-N 0 0 180.251 2.166 10 0 AEAERN OCCc1ccc(C(F)F)c(F)c1 44381575 572409566 /nfs/dbraw/zinc/40/95/66/572409566.db2.gz QXNDBTXAOGAKFP-UHFFFAOYSA-N 0 0 190.164 2.298 10 0 AEAERN OCCCc1cnc2ccccc2c1 44382330 572409626 /nfs/dbraw/zinc/40/96/26/572409626.db2.gz VGNXCIFPHCFVMH-UHFFFAOYSA-N 0 0 187.242 2.160 10 0 AEAERN CCC[C@@H](CO)C(=O)c1ccccc1 238795749 572409697 /nfs/dbraw/zinc/40/96/97/572409697.db2.gz SBPAYUQBARTDML-NSHDSACASA-N 0 0 192.258 2.278 10 0 AEAERN Cc1cc2cc(CCO)ccc2[nH]1 44380125 572409704 /nfs/dbraw/zinc/40/97/04/572409704.db2.gz QEWGJGMCQTXPRP-UHFFFAOYSA-N 0 0 175.231 2.011 10 0 AEAERN CCCC[C@H](O)C(=O)[C@H](F)CCC 238232105 572409795 /nfs/dbraw/zinc/40/97/95/572409795.db2.gz GADFIXKFPSPHAD-BDAKNGLRSA-N 0 0 190.258 2.245 10 0 AEAERN OCCc1ccccc1C(F)F 44381043 572409816 /nfs/dbraw/zinc/40/98/16/572409816.db2.gz ZOCLUOAJPYZOEI-UHFFFAOYSA-N 0 0 172.174 2.159 10 0 AEAERN Cc1ccc(F)c(CCCO)c1F 44382752 572409915 /nfs/dbraw/zinc/40/99/15/572409915.db2.gz ARHSXMMGIDWJOK-UHFFFAOYSA-N 0 0 186.201 2.198 10 0 AEAERN CCCC[C@@H]1[C@H](O)OC[C@@H]1C(C)C 238795693 572409924 /nfs/dbraw/zinc/40/99/24/572409924.db2.gz RNKNKKMIDDCSQV-HBNTYKKESA-N 0 0 186.295 2.414 10 0 AEAERN Oc1ccccc1-c1cn2[nH]ccc2n1 250235212 572412493 /nfs/dbraw/zinc/41/24/93/572412493.db2.gz JFANSHHORXWSRU-UHFFFAOYSA-N 0 0 199.213 2.035 10 0 AEAERN CCCC(=O)[C@@H](CCC)CCO 238795553 572410006 /nfs/dbraw/zinc/41/00/06/572410006.db2.gz DIIBUYUOPHOKSD-VIFPVBQESA-N 0 0 172.268 2.154 10 0 AEAERN CCCC[C@@H](O)C/C=C/COC 238794227 572412494 /nfs/dbraw/zinc/41/24/94/572412494.db2.gz PRIQBILSKNGLBH-BRAIEQGRSA-N 0 0 172.268 2.130 10 0 AEAERN Cc1cc(Cl)c(CCO)cc1F 44380527 572410024 /nfs/dbraw/zinc/41/00/24/572410024.db2.gz KMNDFMITGWXIRT-UHFFFAOYSA-N 0 0 188.629 2.322 10 0 AEAERN Cc1c[nH]c2ccc(CCO)cc12 44381814 572410102 /nfs/dbraw/zinc/41/01/02/572410102.db2.gz WZCPXQZYDKWTSE-UHFFFAOYSA-N 0 0 175.231 2.011 10 0 AEAERN CCCC[C@H]1C(=O)C[C@@H]1OCC 238795670 572410305 /nfs/dbraw/zinc/41/03/05/572410305.db2.gz IBQQHBBOSGVCOR-WPRPVWTQSA-N 0 0 170.252 2.171 10 0 AEAERN C[C@@H]1C[C@@H]1[C@H](O)CCC(F)(F)F 83807680 572410307 /nfs/dbraw/zinc/41/03/07/572410307.db2.gz DEJRNTBYJMRZCG-DSYKOEDSSA-N 0 0 182.185 2.346 10 0 AEAERN Cn1cc(N)c2c(Cl)cccc21 76604722 572412541 /nfs/dbraw/zinc/41/25/41/572412541.db2.gz DXJFFUCZRKZOCE-UHFFFAOYSA-N 0 0 180.638 2.414 10 0 AEAERN CCCC[C@@H]1OC(N)=N[C@@H]1CCCC 238795520 572410367 /nfs/dbraw/zinc/41/03/67/572410367.db2.gz KISOSYIGFRDEGD-ZJUUUORDSA-N 0 0 198.310 2.449 10 0 AEAERN OCCc1cc(F)ccc1C(F)F 44381570 572410394 /nfs/dbraw/zinc/41/03/94/572410394.db2.gz UUEQTTXOYGFJEY-UHFFFAOYSA-N 0 0 190.164 2.298 10 0 AEAERN CC(C)c1cc2c(o1)COCC2=O 76603778 572410508 /nfs/dbraw/zinc/41/05/08/572410508.db2.gz RLIBGWRLMMPNJR-UHFFFAOYSA-N 0 0 180.203 2.116 10 0 AEAERN CCCCCCc1cncnc1N 238232344 572410541 /nfs/dbraw/zinc/41/05/41/572410541.db2.gz OQYQZLXCBWDUGD-UHFFFAOYSA-N 0 0 179.267 2.182 10 0 AEAERN CCCC[C@@H]1NC(=O)O[C@H]1CCC 238795342 572410575 /nfs/dbraw/zinc/41/05/75/572410575.db2.gz KSYYWIGRWFYKSB-IUCAKERBSA-N 0 0 185.267 2.454 10 0 AEAERN CCCC[C@@H]1N=C(N)O[C@H]1CCCC 238795521 572410625 /nfs/dbraw/zinc/41/06/25/572410625.db2.gz KISOSYIGFRDEGD-UWVGGRQHSA-N 0 0 198.310 2.449 10 0 AEAERN CCCCO[C@@]1(C)CCC[C@@H]1O 238234469 572413839 /nfs/dbraw/zinc/41/38/39/572413839.db2.gz ZFAMAUYNVAMEKM-UWVGGRQHSA-N 0 0 172.268 2.107 10 0 AEAERN CCCCO[C@@]1(C)CCC[C@H]1O 238234484 572411308 /nfs/dbraw/zinc/41/13/08/572411308.db2.gz ZFAMAUYNVAMEKM-ZJUUUORDSA-N 0 0 172.268 2.107 10 0 AEAERN CCCCC/C=C(/CO)[C@H](O)CC 238234784 572411345 /nfs/dbraw/zinc/41/13/45/572411345.db2.gz QVBZZADTSMFVMN-HIJJYWJESA-N 0 0 186.295 2.256 10 0 AEAERN CCC[C@@H](CC)CCCC(N)=O 238794994 572411446 /nfs/dbraw/zinc/41/14/46/572411446.db2.gz IAPHZKYAUQSVJT-SECBINFHSA-N 0 0 171.284 2.468 10 0 AEAERN CCCCC(F)(F)[C@H](O)OCC 238233055 572411475 /nfs/dbraw/zinc/41/14/75/572411475.db2.gz LOHGRQKYNNMKDW-SSDOTTSWSA-N 0 0 182.210 2.167 10 0 AEAERN CCCC[C@@H](NC(=O)CC)C(=O)CC 238793783 572413857 /nfs/dbraw/zinc/41/38/57/572413857.db2.gz ZOGMZCMSEZNOQB-SECBINFHSA-N 0 0 199.294 2.051 10 0 AEAERN CCCC[C@H]1C(=O)C[C@H]1OCC 238795696 572411654 /nfs/dbraw/zinc/41/16/54/572411654.db2.gz IBQQHBBOSGVCOR-WCBMZHEXSA-N 0 0 170.252 2.171 10 0 AEAERN CCC[C@@H](CO)COc1ccccc1 238795761 572411714 /nfs/dbraw/zinc/41/17/14/572411714.db2.gz HJJOWNDQDCQSOC-NSHDSACASA-N 0 0 194.274 2.474 10 0 AEAERN O=Cc1nsc2ccc(F)cc12 76604772 572411793 /nfs/dbraw/zinc/41/17/93/572411793.db2.gz HULRRLKIZRSPCA-UHFFFAOYSA-N 0 0 181.191 2.248 10 0 AEAERN CCCCC/C=C/C=C/[C@@H](O)CO 238235215 572411876 /nfs/dbraw/zinc/41/18/76/572411876.db2.gz CPEYWNVITWNUBV-RUVHZOEGSA-N 0 0 184.279 2.032 10 0 AEAERN CCCCCCc1ncncc1N 238233033 572412006 /nfs/dbraw/zinc/41/20/06/572412006.db2.gz CCSNIKGAZZBMDW-UHFFFAOYSA-N 0 0 179.267 2.182 10 0 AEAERN OCCCc1cccc2cnccc12 44396162 572412032 /nfs/dbraw/zinc/41/20/32/572412032.db2.gz MVSOKLNVDOQUPJ-UHFFFAOYSA-N 0 0 187.242 2.160 10 0 AEAERN CCCCO[C@H](C)CCCCO 238234718 572412116 /nfs/dbraw/zinc/41/21/16/572412116.db2.gz MVGRTABTBMQCJT-SNVBAGLBSA-N 0 0 174.284 2.354 10 0 AEAERN CCCCC/C=C/C=C/[C@@H](O)CCO 238235198 572412190 /nfs/dbraw/zinc/41/21/90/572412190.db2.gz MWAXDVIQZYFULS-NSBFDGAOSA-N 0 0 198.306 2.422 10 0 AEAERN CCCCO[C@H](C)C[C@@H](O)CC 238234792 572412194 /nfs/dbraw/zinc/41/21/94/572412194.db2.gz ZRSXCSDCPUIIGS-ZJUUUORDSA-N 0 0 174.284 2.353 10 0 AEAERN CCCCC(F)(F)[C@@H](O)OCC 238233038 572412280 /nfs/dbraw/zinc/41/22/80/572412280.db2.gz LOHGRQKYNNMKDW-ZETCQYMHSA-N 0 0 182.210 2.167 10 0 AEAERN CCCCO[C@H](C)[C@@H](CC)CO 238235137 572412311 /nfs/dbraw/zinc/41/23/11/572412311.db2.gz IMXZCVDOGDTRJO-ZJUUUORDSA-N 0 0 174.284 2.210 10 0 AEAERN CCCCO[C@@H](C)[C@H](CC)CO 238232786 572412409 /nfs/dbraw/zinc/41/24/09/572412409.db2.gz IMXZCVDOGDTRJO-VHSXEESVSA-N 0 0 174.284 2.210 10 0 AEAERN CCCC[C@@H](O)Cc1ccccc1N 238794231 572412441 /nfs/dbraw/zinc/41/24/41/572412441.db2.gz UITCZGTYAAYAAN-LLVKDONJSA-N 0 0 193.290 2.362 10 0 AEAERN CCCCCCc1nc(C)cc(=O)[nH]1 238232868 572412706 /nfs/dbraw/zinc/41/27/06/572412706.db2.gz KJYSTIBUIHXETH-UHFFFAOYSA-N 0 0 194.278 2.201 10 0 AEAERN Cc1ccc([C@H](OCCO)C(C)C)o1 238793341 572412714 /nfs/dbraw/zinc/41/27/14/572412714.db2.gz RFGAJFXKYKZELM-LLVKDONJSA-N 0 0 198.262 2.294 10 0 AEAERN O=C1CCC[C@@H]2CCCS[C@H]12 208655724 572412767 /nfs/dbraw/zinc/41/27/67/572412767.db2.gz YGUUXDDMNRPXDA-APPZFPTMSA-N 0 0 170.277 2.251 10 0 AEAERN CC(C)[C@H]1CC=C(C[C@H](O)CO)CC1 238794111 572412838 /nfs/dbraw/zinc/41/28/38/572412838.db2.gz ZCDPPQUKXVXOPZ-RYUDHWBXSA-N 0 0 198.306 2.112 10 0 AEAERN CCCC[C@H](O)Cc1ccccc1N 238234416 572412858 /nfs/dbraw/zinc/41/28/58/572412858.db2.gz UITCZGTYAAYAAN-NSHDSACASA-N 0 0 193.290 2.362 10 0 AEAERN CCCC[C@H](O)C/C=C/COC 238234343 572412977 /nfs/dbraw/zinc/41/29/77/572412977.db2.gz PRIQBILSKNGLBH-PORFMDCZSA-N 0 0 172.268 2.130 10 0 AEAERN CCC(=O)NCc1sccc1CC 87263251 572413210 /nfs/dbraw/zinc/41/32/10/572413210.db2.gz JWXBDCLEDPMLBL-UHFFFAOYSA-N 0 0 197.303 2.337 10 0 AEAERN CCCCO[C@H](C)C/C=C/CO 238234881 572413242 /nfs/dbraw/zinc/41/32/42/572413242.db2.gz FTNXUCNEZCYDGV-BRAIEQGRSA-N 0 0 172.268 2.130 10 0 AEAERN CO/C(=C\C1(O)CC1)c1ccccc1 206990585 572413387 /nfs/dbraw/zinc/41/33/87/572413387.db2.gz CAVBLJWSICLBRZ-LUAWRHEFSA-N 0 0 190.242 2.199 10 0 AEAERN CCCC[C@@H](O)C/C=C/OCOC 238794125 572413398 /nfs/dbraw/zinc/41/33/98/572413398.db2.gz HTUZATOWLDEIJV-VHODGJRUSA-N 0 0 188.267 2.062 10 0 AEAERN CC(C)[C@H]1CC=C(C[C@@H](O)CO)CC1 238794106 572413539 /nfs/dbraw/zinc/41/35/39/572413539.db2.gz ZCDPPQUKXVXOPZ-NWDGAFQWSA-N 0 0 198.306 2.112 10 0 AEAERN CCCCCCc1ncc(C=O)cn1 238232978 572413605 /nfs/dbraw/zinc/41/36/05/572413605.db2.gz LSFPMDNLTRMKNP-UHFFFAOYSA-N 0 0 192.262 2.412 10 0 AEAERN CON=C(C)c1ccc(N)cc1Cl 379414003 572413695 /nfs/dbraw/zinc/41/36/95/572413695.db2.gz NBAQFXAAPOPTKD-UHFFFAOYSA-N 0 0 198.653 2.293 10 0 AEAERN Cn1ccc2cc(Cl)c(N)cc21 76604725 572413742 /nfs/dbraw/zinc/41/37/42/572413742.db2.gz ZBNJBGIQLOKQSE-UHFFFAOYSA-N 0 0 180.638 2.414 10 0 AEAERN CCCCCCc1ncncc1O 238233045 572413776 /nfs/dbraw/zinc/41/37/76/572413776.db2.gz AQYAXQUKGUARTK-UHFFFAOYSA-N 0 0 180.251 2.305 10 0 AEAERN O=C1CCC[C@H]2CCCS[C@@H]12 208655791 572413784 /nfs/dbraw/zinc/41/37/84/572413784.db2.gz YGUUXDDMNRPXDA-IONNQARKSA-N 0 0 170.277 2.251 10 0 AEAERN CCCC[C@@H](O)C(=O)[C@H](F)CCC 238794087 572413888 /nfs/dbraw/zinc/41/38/88/572413888.db2.gz GADFIXKFPSPHAD-RKDXNWHRSA-N 0 0 190.258 2.245 10 0 AEAERN CCCCO[C@H](C)[C@H](CC)CO 238235201 572414048 /nfs/dbraw/zinc/41/40/48/572414048.db2.gz IMXZCVDOGDTRJO-NXEZZACHSA-N 0 0 174.284 2.210 10 0 AEAERN CCCOC(=O)c1ccc(C)cc1N 238232837 572414054 /nfs/dbraw/zinc/41/40/54/572414054.db2.gz SKDXIUZPFVUYAF-UHFFFAOYSA-N 0 0 193.246 2.144 10 0 AEAERN C/C=C/[C@H](O)CC[C@H](O)CCCC 238794185 572414089 /nfs/dbraw/zinc/41/40/89/572414089.db2.gz UMWNWOLZYLRHSP-XDFYEUQUSA-N 0 0 186.295 2.255 10 0 AEAERN CCCCO[C@H](C)C[C@H](O)CC 238234858 572414159 /nfs/dbraw/zinc/41/41/59/572414159.db2.gz ZRSXCSDCPUIIGS-NXEZZACHSA-N 0 0 174.284 2.353 10 0 AEAERN CCCC[C@@H](O)C(=O)C(C)(C)C 238794063 572414196 /nfs/dbraw/zinc/41/41/96/572414196.db2.gz JQSQFNZVDZPXFL-MRVPVSSYSA-N 0 0 172.268 2.153 10 0 AEAERN COC(OC)(OC)[C@H]1CC[C@H](C)C1 83789571 572414350 /nfs/dbraw/zinc/41/43/50/572414350.db2.gz NSRGAQUISAPRJP-IUCAKERBSA-N 0 0 188.267 2.016 10 0 AEAERN CCCCC/C=C(/CO)[C@@H](O)CC 238234749 572414339 /nfs/dbraw/zinc/41/43/39/572414339.db2.gz QVBZZADTSMFVMN-IEHMKBBKSA-N 0 0 186.295 2.256 10 0 AEAERN CCCCC/C=C(/CO)CCCO 238234689 572414429 /nfs/dbraw/zinc/41/44/29/572414429.db2.gz UZKJYOGAMVQQSD-YRNVUSSQSA-N 0 0 186.295 2.258 10 0 AEAERN CC(C)CC1(CNC=O)CCCC1 87311481 572414470 /nfs/dbraw/zinc/41/44/70/572414470.db2.gz LWAFUXSFDSCMEE-UHFFFAOYSA-N 0 0 183.295 2.339 10 0 AEAERN CCCC[C@@H](O)[C@H]1CCC=CO1 238794386 572414512 /nfs/dbraw/zinc/41/45/12/572414512.db2.gz VIWGCIJCXXFZPY-NXEZZACHSA-N 0 0 170.252 2.230 10 0 AEAERN COC(OC)(OC)[C@@H]1CC[C@@H](C)C1 83789573 572414797 /nfs/dbraw/zinc/41/47/97/572414797.db2.gz NSRGAQUISAPRJP-RKDXNWHRSA-N 0 0 188.267 2.016 10 0 AEAERN CC(C)OCCC[C@H](O)C1CCC1 689632903 572414859 /nfs/dbraw/zinc/41/48/59/572414859.db2.gz SVWKLOBWZBMABM-NSHDSACASA-N 0 0 186.295 2.353 10 0 AEAERN CCCC[C@@H](O)C(=O)[C@@H](F)CCC 238794083 572414829 /nfs/dbraw/zinc/41/48/29/572414829.db2.gz GADFIXKFPSPHAD-DTWKUNHWSA-N 0 0 190.258 2.245 10 0 AEAERN CCCC=C=C[C@H]1CCCC(=O)N1 208702820 572415031 /nfs/dbraw/zinc/41/50/31/572415031.db2.gz ZYVZWPNJZZOYQO-MDNDIQLQSA-N 0 0 179.263 2.167 10 0 AEAERN CCCCC/C=C1/COC[C@H](O)C1 238237449 572415140 /nfs/dbraw/zinc/41/51/40/572415140.db2.gz VQXKDGHOSMWJOK-CDCCAWJDSA-N 0 0 184.279 2.274 10 0 AEAERN CCCCO[P@](C)(=O)[C@@H](O)CC 238237263 572415145 /nfs/dbraw/zinc/41/51/45/572415145.db2.gz LDSLUZAGSMKOAO-PELKAZGASA-N 0 0 194.211 2.439 10 0 AEAERN C=CC(=O)NCc1sccc1CC 87308675 572415285 /nfs/dbraw/zinc/41/52/85/572415285.db2.gz YYZRFCCMEHBAPT-UHFFFAOYSA-N 0 0 195.287 2.113 10 0 AEAERN CCCC[C@@]1(CC)CNC(=O)OC1 238796330 572416236 /nfs/dbraw/zinc/41/62/36/572416236.db2.gz PBXJVJZIEUSHRB-JTQLQIEISA-N 0 0 185.267 2.313 10 0 AEAERN CCCC[C@H](O)[C@H]1CC[C@@H]1OCC 238236505 572415506 /nfs/dbraw/zinc/41/55/06/572415506.db2.gz DMIHMPFYPACHLY-VWYCJHECSA-N 0 0 186.295 2.353 10 0 AEAERN COc1ccc2c(c1)ncc1nc[nH]c12 197195655 572415583 /nfs/dbraw/zinc/41/55/83/572415583.db2.gz OLTSIDBOXOCEDF-UHFFFAOYSA-N 0 0 199.213 2.120 10 0 AEAERN CC1=NCc2cc3ccccc3nc2N1 238237518 572415850 /nfs/dbraw/zinc/41/58/50/572415850.db2.gz QDZAWFROVPANIA-UHFFFAOYSA-N 0 0 197.241 2.388 10 0 AEAERN CCCC[C@@H]1CCCC[C@]1([NH3+])C(=O)[O-] 238794918 572415907 /nfs/dbraw/zinc/41/59/07/572415907.db2.gz RKTGSQFPIVTDHL-MWLCHTKSSA-N 0 0 199.294 2.149 10 0 AEAERN CCCCC/C=C/[C@@H]1COC(=O)N1 238236804 572415996 /nfs/dbraw/zinc/41/59/96/572415996.db2.gz UIWARIMPZPTGCT-XCODYQFDSA-N 0 0 183.251 2.231 10 0 AEAERN CCCCC/C=C/[C@H]1COC(=O)N1 238237274 572416005 /nfs/dbraw/zinc/41/60/05/572416005.db2.gz UIWARIMPZPTGCT-UCUJLANTSA-N 0 0 183.251 2.231 10 0 AEAERN CCCC[C@@H](SCCC)C(N)=O 238794514 572416013 /nfs/dbraw/zinc/41/60/13/572416013.db2.gz BIOUKKZNAQJYDR-MRVPVSSYSA-N 0 0 189.324 2.174 10 0 AEAERN CCCCC/C=C1/COC[C@@H](O)C1 238237438 572416054 /nfs/dbraw/zinc/41/60/54/572416054.db2.gz VQXKDGHOSMWJOK-RUYJGKKWSA-N 0 0 184.279 2.274 10 0 AEAERN CCCCC[C@H](O)C/C=C(/C)CO 238237013 572416110 /nfs/dbraw/zinc/41/61/10/572416110.db2.gz KHYQSKKLOCWUHI-BRNRAETOSA-N 0 0 186.295 2.256 10 0 AEAERN CCCC[C@@]1(C(N)=O)C[C@H]2CC[C@@H]1C2 238796205 572416125 /nfs/dbraw/zinc/41/61/25/572416125.db2.gz RJRABAPRUXZTKD-HOSYDEDBSA-N 0 0 195.306 2.468 10 0 AEAERN CCCC[C@@H](O)c1cc(O)cc(O)c1 238794443 572416163 /nfs/dbraw/zinc/41/61/63/572416163.db2.gz BGRPHMXNTUBFBT-LLVKDONJSA-N 0 0 196.246 2.321 10 0 in-vitro AEAERN CCCCO[C@]1(C)CCC[C@H]1O 238236782 572416218 /nfs/dbraw/zinc/41/62/18/572416218.db2.gz ZFAMAUYNVAMEKM-NXEZZACHSA-N 0 0 172.268 2.107 10 0 AEAERN CCCC[C@H](C(=O)CC)[C@@H](C)O 238794524 572416286 /nfs/dbraw/zinc/41/62/86/572416286.db2.gz DYPVOMVQIHHTQE-BDAKNGLRSA-N 0 0 172.268 2.153 10 0 AEAERN C=C/C=C/CCn1cccc1C=O 713706125 572416413 /nfs/dbraw/zinc/41/64/13/572416413.db2.gz ZZBJFPKZTWZCIS-ONEGZZNKSA-N 0 0 175.231 2.433 10 0 AEAERN CCC[C@@H](CC(C)C)OCCO 238794937 572416467 /nfs/dbraw/zinc/41/64/67/572416467.db2.gz HDDLHMLUHNCGOV-JTQLQIEISA-N 0 0 174.284 2.210 10 0 AEAERN CCCCO[P@@](C)(=O)[C@@H](O)CC 238237044 572416472 /nfs/dbraw/zinc/41/64/72/572416472.db2.gz LDSLUZAGSMKOAO-PRHODGIISA-N 0 0 194.211 2.439 10 0 AEAERN CCC[C@@H](CC(C)=O)OCC 238794926 572416619 /nfs/dbraw/zinc/41/66/19/572416619.db2.gz IALGMBQXWFSWCU-VIFPVBQESA-N 0 0 158.241 2.171 10 0 AEAERN CCCC[C@@]1(CC)CCC(=O)NC1=O 238796313 572416668 /nfs/dbraw/zinc/41/66/68/572416668.db2.gz LRJYEMWLIPPKFP-NSHDSACASA-N 0 0 197.278 2.010 10 0 AEAERN Nc1ccc2nc(-c3ccoc3)cn2c1 87307661 572416704 /nfs/dbraw/zinc/41/67/04/572416704.db2.gz CARKZIXJHHRWBL-UHFFFAOYSA-N 0 0 199.213 2.177 10 0 AEAERN Fc1ccc2c(c1)ncc1nc[nH]c12 197195675 572416716 /nfs/dbraw/zinc/41/67/16/572416716.db2.gz GTEROVGHNAPRPL-UHFFFAOYSA-N 0 0 187.177 2.250 10 0 AEAERN Nc1cccc([C@H](O)CCC2CC2)c1 236355877 572416770 /nfs/dbraw/zinc/41/67/70/572416770.db2.gz BXVRTXWFLKKARV-GFCCVEGCSA-N 0 0 191.274 2.492 10 0 AEAERN CCCC[C@H](C(=O)CC)[C@H](C)O 238794557 572416776 /nfs/dbraw/zinc/41/67/76/572416776.db2.gz DYPVOMVQIHHTQE-IUCAKERBSA-N 0 0 172.268 2.153 10 0 AEAERN COC(OC)(OC)[C@H]1CC[C@@H](C)C1 83789569 572416803 /nfs/dbraw/zinc/41/68/03/572416803.db2.gz NSRGAQUISAPRJP-BDAKNGLRSA-N 0 0 188.267 2.016 10 0 AEAERN CC(C)CC1(CNN)CCCC1 87315924 572416809 /nfs/dbraw/zinc/41/68/09/572416809.db2.gz ORUBTSHCLKKTGE-UHFFFAOYSA-N 0 0 170.300 2.056 10 0 AEAERN CCCC[C@H](O)c1cc(O)cc(O)c1 238237249 572416859 /nfs/dbraw/zinc/41/68/59/572416859.db2.gz BGRPHMXNTUBFBT-NSHDSACASA-N 0 0 196.246 2.321 10 0 in-vitro AEAERN CCCC[C@@H](OC)/C(C)=C/CO 238794486 572416889 /nfs/dbraw/zinc/41/68/89/572416889.db2.gz JYBWCEVULUMXIJ-TTZKWOQHSA-N 0 0 172.268 2.130 10 0 AEAERN C=C=C[C@@H](CCCC)OC(=O)NC 238794462 572416915 /nfs/dbraw/zinc/41/69/15/572416915.db2.gz GRYUSVNXUGABJV-VIFPVBQESA-N 0 0 183.251 2.242 10 0 AEAERN O=C1CSCC[C@H]1C1CCCC1 76629578 572417074 /nfs/dbraw/zinc/41/70/74/572417074.db2.gz HPXSXNRUNYDACX-VIFPVBQESA-N 0 0 184.304 2.499 10 0 AEAERN COC(OC)(OC)[C@@H]1CC[C@H](C)C1 83789575 572417077 /nfs/dbraw/zinc/41/70/77/572417077.db2.gz NSRGAQUISAPRJP-DTWKUNHWSA-N 0 0 188.267 2.016 10 0 AEAERN C/C=C(/C)[C@H](O)C1=CC1(C)C 208691346 572416975 /nfs/dbraw/zinc/41/69/75/572416975.db2.gz DTGRUAXTQGTKSR-PGBBXKAQSA-N 0 0 152.237 2.280 10 0 AEAERN CCCC[C@@]1(CCCO)CCCO1 238796372 572416981 /nfs/dbraw/zinc/41/69/81/572416981.db2.gz BBRCRGPLNCJKQT-LLVKDONJSA-N 0 0 186.295 2.498 10 0 AEAERN CCCC[C@H](O)/C=C/OCOCC 238237091 572417007 /nfs/dbraw/zinc/41/70/07/572417007.db2.gz GKBAOVSAZBJRBZ-JARNTUPDSA-N 0 0 188.267 2.062 10 0 AEAERN CCCCO[P@](C)(=O)[C@@H](C)O 238237253 572417240 /nfs/dbraw/zinc/41/72/40/572417240.db2.gz MTRWFQLPGCILBN-CPCISQLKSA-N 0 0 180.184 2.049 10 0 AEAERN CCCC[C@H](O)/C=C/C=C/OC 238237002 572417442 /nfs/dbraw/zinc/41/74/42/572417442.db2.gz QDJFZTAKTYQYHR-AVNQPTHFSA-N 0 0 170.252 2.254 10 0 AEAERN CCCn1nccc1C(=O)[C@H]1C[C@@H]1C 83806599 572418135 /nfs/dbraw/zinc/41/81/35/572418135.db2.gz SZRNFKLQMNUBIJ-IUCAKERBSA-N 0 0 192.262 2.132 10 0 AEAERN CCCC[C@@H](O)/C=C/C=C/OC 238794431 572417505 /nfs/dbraw/zinc/41/75/05/572417505.db2.gz QDJFZTAKTYQYHR-ZVMXJLBNSA-N 0 0 170.252 2.254 10 0 AEAERN CCCCO[P@](C)(=O)[C@H](C)O 238237280 572417524 /nfs/dbraw/zinc/41/75/24/572417524.db2.gz MTRWFQLPGCILBN-HQJQHLMTSA-N 0 0 180.184 2.049 10 0 AEAERN CCCC[C@H](C(C)=O)[C@@H](O)CC 238794533 572417529 /nfs/dbraw/zinc/41/75/29/572417529.db2.gz NCMCFBNQLXXMJS-ZJUUUORDSA-N 0 0 172.268 2.153 10 0 AEAERN CCCCO[C@]1(C)CCC[C@@H]1O 238236772 572417543 /nfs/dbraw/zinc/41/75/43/572417543.db2.gz ZFAMAUYNVAMEKM-VHSXEESVSA-N 0 0 172.268 2.107 10 0 AEAERN Cc1nsc(C)c1C[NH2+]C(C)C 76629606 572417554 /nfs/dbraw/zinc/41/75/54/572417554.db2.gz OFSMPEGVQUDOKT-UHFFFAOYSA-N 0 0 184.308 2.258 10 0 AEAERN CCCC[C@H](/C=C(/C)CO)OC 238794492 572417563 /nfs/dbraw/zinc/41/75/63/572417563.db2.gz PKDHPHBIGSLDAR-UJICNMFASA-N 0 0 172.268 2.130 10 0 AEAERN CCCCO[P@](C)(=O)[C@H](O)CC 238237293 572417881 /nfs/dbraw/zinc/41/78/81/572417881.db2.gz LDSLUZAGSMKOAO-UFBFGSQYSA-N 0 0 194.211 2.439 10 0 AEAERN Cc1cscc1CNCC(F)F 87310834 572417725 /nfs/dbraw/zinc/41/77/25/572417725.db2.gz AOJOTBMAAWHWRS-UHFFFAOYSA-N 0 0 191.246 2.411 10 0 AEAERN CCCC[C@@H](O)/C=C/OCOCC 238794436 572417757 /nfs/dbraw/zinc/41/77/57/572417757.db2.gz GKBAOVSAZBJRBZ-QROSGCPLSA-N 0 0 188.267 2.062 10 0 AEAERN CCCC[C@H](C(=O)C(C)C)[C@H](C)O 238794556 572417770 /nfs/dbraw/zinc/41/77/70/572417770.db2.gz DNQQRJJMOSLTCD-UWVGGRQHSA-N 0 0 186.295 2.399 10 0 AEAERN CCCn1ccnc1C(=O)[C@@H]1C[C@@H]1C 83806486 572417817 /nfs/dbraw/zinc/41/78/17/572417817.db2.gz VOLABBZAIWJLGG-DTWKUNHWSA-N 0 0 192.262 2.132 10 0 AEAERN CCCCC[C@H](O)CCn1cccn1 238237494 572417818 /nfs/dbraw/zinc/41/78/18/572417818.db2.gz IEXWPKSHIIWLDT-NSHDSACASA-N 0 0 196.294 2.214 10 0 AEAERN CCCCO[P@@](C)(=O)[C@H](C)O 238237055 572417833 /nfs/dbraw/zinc/41/78/33/572417833.db2.gz MTRWFQLPGCILBN-RDDDGLTNSA-N 0 0 180.184 2.049 10 0 AEAERN CSCCC(=O)c1cncs1 235039431 572417920 /nfs/dbraw/zinc/41/79/20/572417920.db2.gz RYOWCOYGKXYFKO-UHFFFAOYSA-N 0 0 187.289 2.079 10 0 AEAERN CCCn1ccnc1C(=O)[C@H]1C[C@@H]1C 83806488 572417931 /nfs/dbraw/zinc/41/79/31/572417931.db2.gz VOLABBZAIWJLGG-IUCAKERBSA-N 0 0 192.262 2.132 10 0 AEAERN CCOC(=O)NCc1cscc1C 87311511 572417970 /nfs/dbraw/zinc/41/79/70/572417970.db2.gz CUHXPXZXFNTBOL-UHFFFAOYSA-N 0 0 199.275 2.303 10 0 AEAERN O=C1CSCC[C@@H]1C1CCCC1 76629582 572418010 /nfs/dbraw/zinc/41/80/10/572418010.db2.gz HPXSXNRUNYDACX-SECBINFHSA-N 0 0 184.304 2.499 10 0 AEAERN C[C@H](NC=O)C12CCC(C)(CC1)CC2 44460188 572418041 /nfs/dbraw/zinc/41/80/41/572418041.db2.gz GSLVVAYIOGBOJD-UNXYVOJBSA-N 0 0 195.306 2.481 10 0 AEAERN Nc1cc(NCCCC2CC2)sn1 236357927 572418099 /nfs/dbraw/zinc/41/80/99/572418099.db2.gz CJTAUTHADQUQQC-UHFFFAOYSA-N 0 0 197.307 2.327 10 0 AEAERN CCCC[C@H](O)[C@@H]1CCC=CO1 238235353 572418102 /nfs/dbraw/zinc/41/81/02/572418102.db2.gz VIWGCIJCXXFZPY-UWVGGRQHSA-N 0 0 170.252 2.230 10 0 AEAERN CCCC[C@H](C(C)=O)[C@H](O)CC 238794574 572418159 /nfs/dbraw/zinc/41/81/59/572418159.db2.gz NCMCFBNQLXXMJS-NXEZZACHSA-N 0 0 172.268 2.153 10 0 AEAERN CCCC[C@H](O)[C@H]1CCC=CO1 238236435 572418175 /nfs/dbraw/zinc/41/81/75/572418175.db2.gz VIWGCIJCXXFZPY-VHSXEESVSA-N 0 0 170.252 2.230 10 0 AEAERN CCCC[C@H](C(N)=O)[C@@H](C)CC 238794517 572418238 /nfs/dbraw/zinc/41/82/38/572418238.db2.gz AAGOYBOZLBQSMB-IUCAKERBSA-N 0 0 171.284 2.324 10 0 AEAERN O=C1CCSC[C@@H]1C1CCCC1 76629572 572418239 /nfs/dbraw/zinc/41/82/39/572418239.db2.gz UIWHMLPYFAYANG-SECBINFHSA-N 0 0 184.304 2.499 10 0 AEAERN CCCn1nccc1C(=O)[C@@H]1C[C@H]1C 83806601 572418247 /nfs/dbraw/zinc/41/82/47/572418247.db2.gz SZRNFKLQMNUBIJ-RKDXNWHRSA-N 0 0 192.262 2.132 10 0 AEAERN C[C@@H]1C[C@H]1C(=O)CC[C@@H]1CCCO1 83807184 572418281 /nfs/dbraw/zinc/41/82/81/572418281.db2.gz AYZNZMYHUILTDU-KXUCPTDWSA-N 0 0 182.263 2.171 10 0 AEAERN C=C/C=C\CCn1cccc1C=O 713706122 572418334 /nfs/dbraw/zinc/41/83/34/572418334.db2.gz ZZBJFPKZTWZCIS-ARJAWSKDSA-N 0 0 175.231 2.433 10 0 AEAERN CCCCC/C=C/CC[C@H]([NH3+])C(=O)[O-] 238235673 572418739 /nfs/dbraw/zinc/41/87/39/572418739.db2.gz QTEAXLGTHKQERR-FGEFZZPRSA-N 0 0 199.294 2.315 10 0 AEAERN CCCn1ccnc1C(=O)[C@@H]1C[C@H]1C 83806489 572418706 /nfs/dbraw/zinc/41/87/06/572418706.db2.gz VOLABBZAIWJLGG-RKDXNWHRSA-N 0 0 192.262 2.132 10 0 AEAERN O=Cc1cc(O)ccc1-c1cccnc1 117157950 572418505 /nfs/dbraw/zinc/41/85/05/572418505.db2.gz DTLWOCJITUYHLQ-UHFFFAOYSA-N 0 0 199.209 2.267 10 0 AEAERN CCCC[C@@]1(CC)OCCC1=O 238796338 572418577 /nfs/dbraw/zinc/41/85/77/572418577.db2.gz YYRPHVSXJHGQFT-SNVBAGLBSA-N 0 0 170.252 2.315 10 0 AEAERN CCCC[C@@]([NH3+])(C(=O)[O-])C1=CCCC1 238796142 572418601 /nfs/dbraw/zinc/41/86/01/572418601.db2.gz MTJJHOMLZUPTPX-NSHDSACASA-N 0 0 197.278 2.069 10 0 AEAERN CCCC[C@H](C(=O)C(C)C)[C@@H](C)O 238794523 572418626 /nfs/dbraw/zinc/41/86/26/572418626.db2.gz DNQQRJJMOSLTCD-ZJUUUORDSA-N 0 0 186.295 2.399 10 0 AEAERN C[C@@H]1C[C@@H]1C(=O)CC[C@@H]1CCCO1 83807180 572418635 /nfs/dbraw/zinc/41/86/35/572418635.db2.gz AYZNZMYHUILTDU-UTLUCORTSA-N 0 0 182.263 2.171 10 0 AEAERN C[C@@H](NC=O)C12CCC(C)(CC1)CC2 44460189 572418661 /nfs/dbraw/zinc/41/86/61/572418661.db2.gz GSLVVAYIOGBOJD-VOMCLLRMSA-N 0 0 195.306 2.481 10 0 AEAERN CC[C@@H](O)c1cnn(CC2CCC2)c1 83842010 572418681 /nfs/dbraw/zinc/41/86/81/572418681.db2.gz AEXHEAWITJORHR-LLVKDONJSA-N 0 0 194.278 2.127 10 0 AEAERN CCCC[C@@H]1CCCC[C@@]1([NH3+])C(=O)[O-] 238794908 572418686 /nfs/dbraw/zinc/41/86/86/572418686.db2.gz RKTGSQFPIVTDHL-KOLCDFICSA-N 0 0 199.294 2.149 10 0 AEAERN CCC(=O)c1cnn(CC2CCC2)c1 83841966 572418748 /nfs/dbraw/zinc/41/87/48/572418748.db2.gz QKZDQEMKRTXVEG-UHFFFAOYSA-N 0 0 192.262 2.276 10 0 AEAERN CO[C@H](c1ccccc1)[C@H](C)CO 207030378 572418826 /nfs/dbraw/zinc/41/88/26/572418826.db2.gz WJXHPEWBEOYLAZ-KOLCDFICSA-N 0 0 180.247 2.003 10 0 AEAERN CCCn1cc(C(=O)[C@H]2C[C@@H]2C)cn1 83806898 572418909 /nfs/dbraw/zinc/41/89/09/572418909.db2.gz IUGQPSIFXQKJOC-WPRPVWTQSA-N 0 0 192.262 2.132 10 0 AEAERN CCCCC1(CCCC)C(=O)NC1=O 238237874 572418915 /nfs/dbraw/zinc/41/89/15/572418915.db2.gz MGMFNUBNOIFWBE-UHFFFAOYSA-N 0 0 197.278 2.010 10 0 AEAERN CCCNC(=O)N(O)c1ccccc1 238237829 572418926 /nfs/dbraw/zinc/41/89/26/572418926.db2.gz FIHBMMJNCANXPT-UHFFFAOYSA-N 0 0 194.234 2.002 10 0 AEAERN Cc1cn(C)c2ccc3c(c12)NCC3 76631777 572418955 /nfs/dbraw/zinc/41/89/55/572418955.db2.gz TYMBKPTZOQLWLJ-UHFFFAOYSA-N 0 0 186.258 2.455 10 0 AEAERN CCCC[C@H](C)CCCC(N)=O 238796761 572419152 /nfs/dbraw/zinc/41/91/52/572419152.db2.gz QANYXKBQWSSTGA-VIFPVBQESA-N 0 0 171.284 2.468 10 0 AEAERN C[C@H](O)C[C@H]1CC(C)(C)CCC1=O 76629081 572419174 /nfs/dbraw/zinc/41/91/74/572419174.db2.gz UJRXTBFNTHUQIH-IUCAKERBSA-N 0 0 184.279 2.153 10 0 AEAERN Cc1ccc2c3c(cn2C)C[NH2+]Cc13 76631799 572419283 /nfs/dbraw/zinc/41/92/83/572419283.db2.gz MIGFKDSFZPAHMW-UHFFFAOYSA-N 0 0 186.258 2.090 10 0 AEAERN C/C=C(\NC(C)=O)c1ccc(C)cc1 210633460 572419286 /nfs/dbraw/zinc/41/92/86/572419286.db2.gz BGHMUNSNTCANOX-QCDXTXTGSA-N 0 0 189.258 2.492 10 0 AEAERN CCCn1cc(C(=O)[C@@H]2C[C@@H]2C)cn1 83806896 572419291 /nfs/dbraw/zinc/41/92/91/572419291.db2.gz IUGQPSIFXQKJOC-WCBMZHEXSA-N 0 0 192.262 2.132 10 0 AEAERN CC(C)CCC(=O)c1ncc[nH]1 87339372 572419393 /nfs/dbraw/zinc/41/93/93/572419393.db2.gz UCJNEOYCYDYFKR-UHFFFAOYSA-N 0 0 166.224 2.029 10 0 AEAERN CCCn1cc(C(=O)[C@@H]2C[C@H]2C)cn1 83806899 572419420 /nfs/dbraw/zinc/41/94/20/572419420.db2.gz IUGQPSIFXQKJOC-PSASIEDQSA-N 0 0 192.262 2.132 10 0 AEAERN C/C=C/c1nnc([C@@H](N)[C@H](C)CC)o1 238797992 572419438 /nfs/dbraw/zinc/41/94/38/572419438.db2.gz BDXJONAITZNBMQ-VZHGHLCVSA-N 0 0 195.266 2.149 10 0 AEAERN CC[C@H](O)c1cnn(CC2CCC2)c1 83842009 572419446 /nfs/dbraw/zinc/41/94/46/572419446.db2.gz AEXHEAWITJORHR-NSHDSACASA-N 0 0 194.278 2.127 10 0 AEAERN CCCn1nccc1C(=O)[C@@H]1C[C@@H]1C 83806597 572419581 /nfs/dbraw/zinc/41/95/81/572419581.db2.gz SZRNFKLQMNUBIJ-DTWKUNHWSA-N 0 0 192.262 2.132 10 0 AEAERN Cn1cc(N)cc1Cc1ccccc1 76631769 572420893 /nfs/dbraw/zinc/42/08/93/572420893.db2.gz YZBWITJTSMXWCS-UHFFFAOYSA-N 0 0 186.258 2.198 10 0 AEAERN COC[C@@](C)(O)c1cc(C)cc(C)c1 53173299 572419679 /nfs/dbraw/zinc/41/96/79/572419679.db2.gz RFCTYPIXOOFXRR-GFCCVEGCSA-N 0 0 194.274 2.157 10 0 AEAERN CCC[C@@H](C)C[C@H](O)c1ncc[nH]1 87340283 572419695 /nfs/dbraw/zinc/41/96/95/572419695.db2.gz CECJLSABWTVQSN-BDAKNGLRSA-N 0 0 182.267 2.269 10 0 AEAERN CC[C@@H](C)[C@H](C)n1cc(C=O)cn1 238797545 572419830 /nfs/dbraw/zinc/41/98/30/572419830.db2.gz XSAYPFULLKHRPL-BDAKNGLRSA-N 0 0 180.251 2.303 10 0 AEAERN C/C=C/C(=O)N(CC)[C@@H](C)CC 87333646 572419858 /nfs/dbraw/zinc/41/98/58/572419858.db2.gz DCGYBZNFOFCZTA-QRJSTWQJSA-N 0 0 169.268 2.210 10 0 AEAERN CN(C(=O)/C=C\Cl)c1ccccc1 214669243 572419962 /nfs/dbraw/zinc/41/99/62/572419962.db2.gz MJLIBECIBZYHJD-FPLPWBNLSA-N 0 0 195.649 2.402 10 0 AEAERN CCCC[C@H](C)[C@H](O)CC[C@@H](C)O 238797174 572419964 /nfs/dbraw/zinc/41/99/64/572419964.db2.gz BGQZDQRETKTGRO-HBNTYKKESA-N 0 0 188.311 2.335 10 0 AEAERN CCCC[C@H](C(=O)OC)c1ccc[nH]1 238796602 572419976 /nfs/dbraw/zinc/41/99/76/572419976.db2.gz DABPOUDJOVHCRH-VIFPVBQESA-N 0 0 195.262 2.462 10 0 AEAERN C/C=C/NC(=O)Oc1ccccc1F 207026626 572420007 /nfs/dbraw/zinc/42/00/07/572420007.db2.gz WYIJVRVZSXMERD-FARCUNLSSA-N 0 0 195.193 2.448 10 0 AEAERN CCC[C@H](C)C[C@@H](O)c1ncc[nH]1 87340289 572421341 /nfs/dbraw/zinc/42/13/41/572421341.db2.gz CECJLSABWTVQSN-DTWKUNHWSA-N 0 0 182.267 2.269 10 0 AEAERN CC(=O)C[C@H]1C[C@@H]1C1CC1 23842940 572420057 /nfs/dbraw/zinc/42/00/57/572420057.db2.gz MFMOHZKRULFRGY-DTWKUNHWSA-N 0 0 138.210 2.012 10 0 AEAERN CCCCC[C@H](O)Cc1cc[nH]c1 238237811 572420088 /nfs/dbraw/zinc/42/00/88/572420088.db2.gz HWIHEKWNSDRBKZ-NSHDSACASA-N 0 0 181.279 2.498 10 0 AEAERN CC[C@@H](C)[C@H](C)n1cc(N)cn1 238797556 572420104 /nfs/dbraw/zinc/42/01/04/572420104.db2.gz WMGSJEDAPBWFSN-SFYZADRCSA-N 0 0 167.256 2.072 10 0 AEAERN C/C=C/C(=O)N[C@@H](C)CCCC 87333741 572420207 /nfs/dbraw/zinc/42/02/07/572420207.db2.gz GZYZMWCSPAGIBJ-IWGCBNPKSA-N 0 0 169.268 2.257 10 0 AEAERN CCC[C@H](C)C[C@H](O)c1ncc[nH]1 87340285 572420214 /nfs/dbraw/zinc/42/02/14/572420214.db2.gz CECJLSABWTVQSN-IUCAKERBSA-N 0 0 182.267 2.269 10 0 AEAERN CCCCC/C=C/CC[C@@H]([NH3+])C(=O)[O-] 238235542 572420256 /nfs/dbraw/zinc/42/02/56/572420256.db2.gz QTEAXLGTHKQERR-VQCYPWCPSA-N 0 0 199.294 2.315 10 0 AEAERN CCCn1cc(C(=O)[C@H]2C[C@H]2C)cn1 83806900 572420282 /nfs/dbraw/zinc/42/02/82/572420282.db2.gz IUGQPSIFXQKJOC-SCZZXKLOSA-N 0 0 192.262 2.132 10 0 AEAERN CCCC[C@H](OC)/C(C)=C/CO 238237901 572420300 /nfs/dbraw/zinc/42/03/00/572420300.db2.gz JYBWCEVULUMXIJ-PCYYEKQGSA-N 0 0 172.268 2.130 10 0 AEAERN C[C@@H](O)C[C@@H]1CC(C)(C)CCC1=O 76629076 572420415 /nfs/dbraw/zinc/42/04/15/572420415.db2.gz UJRXTBFNTHUQIH-RKDXNWHRSA-N 0 0 184.279 2.153 10 0 AEAERN CCCC[C@H](C)[C@@H](O)CC[C@@H](C)O 238797134 572420445 /nfs/dbraw/zinc/42/04/45/572420445.db2.gz BGQZDQRETKTGRO-AXFHLTTASA-N 0 0 188.311 2.335 10 0 AEAERN CCc1oc(C)cc1C(C)=O 77075758 572420517 /nfs/dbraw/zinc/42/05/17/572420517.db2.gz BTMXSWRDEJFSLG-UHFFFAOYSA-N 0 0 152.193 2.353 10 0 AEAERN C[C@@H]1C[C@@H]1[C@H](O)CCC[C@@H]1CCCO1 83807508 572420536 /nfs/dbraw/zinc/42/05/36/572420536.db2.gz AHWXJOSAGIQLNX-WISYIIOYSA-N 0 0 198.306 2.353 10 0 AEAERN Cc1cc2c3c(cn(C)c3c1)C[NH2+]C2 76631801 572420546 /nfs/dbraw/zinc/42/05/46/572420546.db2.gz KKXJQGWBQMJZAX-UHFFFAOYSA-N 0 0 186.258 2.090 10 0 AEAERN CCCC[C@H](CC)NC(=O)CC(C)=O 238797788 572420555 /nfs/dbraw/zinc/42/05/55/572420555.db2.gz CDCLWVQRNPZGIB-JTQLQIEISA-N 0 0 199.294 2.051 10 0 AEAERN CC(C)(C)CC[C@H](O)c1ncc[nH]1 87339872 572420560 /nfs/dbraw/zinc/42/05/60/572420560.db2.gz JRCYFIWSPVBREM-QMMMGPOBSA-N 0 0 182.267 2.269 10 0 AEAERN Cc1cc(C=O)c2cc(O)ccc2n1 76632134 572420564 /nfs/dbraw/zinc/42/05/64/572420564.db2.gz RZGWHTUYFKAYBL-UHFFFAOYSA-N 0 0 187.198 2.061 10 0 AEAERN C/C=C/C(=O)N(C)CCCCC 87333648 572420628 /nfs/dbraw/zinc/42/06/28/572420628.db2.gz RULDYQFFKVLDDS-VMPITWQZSA-N 0 0 169.268 2.211 10 0 AEAERN C[C@H](O)C[C@@H]1CC(C)(C)CCC1=O 76629067 572420637 /nfs/dbraw/zinc/42/06/37/572420637.db2.gz UJRXTBFNTHUQIH-DTWKUNHWSA-N 0 0 184.279 2.153 10 0 AEAERN CC(C)(C)CCC(=O)c1ncc[nH]1 87339512 572420640 /nfs/dbraw/zinc/42/06/40/572420640.db2.gz LQJAWTHOCQNADX-UHFFFAOYSA-N 0 0 180.251 2.419 10 0 AEAERN CCC[C@@H](C)C[C@@H](O)c1ncc[nH]1 87340287 572420851 /nfs/dbraw/zinc/42/08/51/572420851.db2.gz CECJLSABWTVQSN-RKDXNWHRSA-N 0 0 182.267 2.269 10 0 AEAERN CCCn1nccc1C(=O)[C@H]1C[C@H]1C 83806604 572420878 /nfs/dbraw/zinc/42/08/78/572420878.db2.gz SZRNFKLQMNUBIJ-BDAKNGLRSA-N 0 0 192.262 2.132 10 0 AEAERN CCOc1cccc(C[C@H](C)CO)c1 87334945 572420911 /nfs/dbraw/zinc/42/09/11/572420911.db2.gz NCWHWWXJYVQJNY-JTQLQIEISA-N 0 0 194.274 2.256 10 0 AEAERN CC[C@@H](C)CC(=O)c1ncc[nH]1 87339471 572420954 /nfs/dbraw/zinc/42/09/54/572420954.db2.gz WZWFBELMHGIZJT-SSDOTTSWSA-N 0 0 166.224 2.029 10 0 AEAERN CC[C@@H](C)[C@H](N)c1nnc(C(C)C)o1 238797979 572420994 /nfs/dbraw/zinc/42/09/94/572420994.db2.gz XGURJMRENGFDOB-SFYZADRCSA-N 0 0 197.282 2.239 10 0 AEAERN Cn1ccc(N)c1Cc1ccccc1 76631759 572421030 /nfs/dbraw/zinc/42/10/30/572421030.db2.gz FRTIRQUNVUPBQG-UHFFFAOYSA-N 0 0 186.258 2.198 10 0 AEAERN CCCC[C@H](C(C)=O)C(C)(C)O 238796609 572421041 /nfs/dbraw/zinc/42/10/41/572421041.db2.gz GKCFXCSYNNAFIV-SECBINFHSA-N 0 0 172.268 2.153 10 0 AEAERN CSCCC(=O)[C@H]1CC1(C)C 235037532 572421119 /nfs/dbraw/zinc/42/11/19/572421119.db2.gz JLKARBBNRWMGQT-SSDOTTSWSA-N 0 0 172.293 2.355 10 0 AEAERN C=C=C[C@H](CCCC)OC(=O)NC 238237617 572421127 /nfs/dbraw/zinc/42/11/27/572421127.db2.gz GRYUSVNXUGABJV-SECBINFHSA-N 0 0 183.251 2.242 10 0 AEAERN CCCCC[C@H](O)c1ncc[nH]1 87339692 572421307 /nfs/dbraw/zinc/42/13/07/572421307.db2.gz DOOLJHQEEDCGPH-QMMMGPOBSA-N 0 0 168.240 2.023 10 0 AEAERN CCCCC[C@@H](O)c1ncc[nH]1 87339694 572421478 /nfs/dbraw/zinc/42/14/78/572421478.db2.gz DOOLJHQEEDCGPH-MRVPVSSYSA-N 0 0 168.240 2.023 10 0 AEAERN Cc1cc2c3c(ccc2n1C)CCN3 76631775 572421439 /nfs/dbraw/zinc/42/14/39/572421439.db2.gz CZVZSLWNULPWJF-UHFFFAOYSA-N 0 0 186.258 2.455 10 0 AEAERN Cc1ccc2c3c(cn(C)c13)C[NH2+]C2 76631796 572421528 /nfs/dbraw/zinc/42/15/28/572421528.db2.gz KMRHLUYUQQYGSN-UHFFFAOYSA-N 0 0 186.258 2.090 10 0 AEAERN CCC[C@@H](C)CC(=O)c1ncc[nH]1 87339366 572421594 /nfs/dbraw/zinc/42/15/94/572421594.db2.gz VKXNMERALLQRGQ-MRVPVSSYSA-N 0 0 180.251 2.419 10 0 AEAERN C/C=C/C(=O)N(CC)[C@H](C)CC 87333644 572421649 /nfs/dbraw/zinc/42/16/49/572421649.db2.gz DCGYBZNFOFCZTA-WHXYTISESA-N 0 0 169.268 2.210 10 0 AEAERN CC(=O)C[C@H]1C[C@H]1C1CC1 23842946 572421659 /nfs/dbraw/zinc/42/16/59/572421659.db2.gz MFMOHZKRULFRGY-IUCAKERBSA-N 0 0 138.210 2.012 10 0 AEAERN O=Cc1c(Cl)n[nH]c1C1CCC1 76629840 572421797 /nfs/dbraw/zinc/42/17/97/572421797.db2.gz ISEYBJULXGIYMQ-UHFFFAOYSA-N 0 0 184.626 2.143 10 0 AEAERN Cc1ncoc1-c1ccccc1C=O 76632128 572421811 /nfs/dbraw/zinc/42/18/11/572421811.db2.gz JGTHXCLFKFCYQS-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN C[C@@H](O)C[C@H]1CC(C)(C)CCC1=O 76629087 572421836 /nfs/dbraw/zinc/42/18/36/572421836.db2.gz UJRXTBFNTHUQIH-BDAKNGLRSA-N 0 0 184.279 2.153 10 0 AEAERN CCCC[C@H](O)[C@@H]1CC[C@@H]1OCC 238235455 572421945 /nfs/dbraw/zinc/42/19/45/572421945.db2.gz DMIHMPFYPACHLY-DCAQKATOSA-N 0 0 186.295 2.353 10 0 AEAERN CC[C@@H](C)[C@@H](C(N)=O)C1CCCC1 238797568 572421970 /nfs/dbraw/zinc/42/19/70/572421970.db2.gz RDVHNAWYAGNXQP-PSASIEDQSA-N 0 0 183.295 2.324 10 0 AEAERN CCC[C@H](C)CC(=O)c1ncc[nH]1 87339368 572422030 /nfs/dbraw/zinc/42/20/30/572422030.db2.gz VKXNMERALLQRGQ-QMMMGPOBSA-N 0 0 180.251 2.419 10 0 AEAERN Cc1cc(C)c(OC[C@H](C)O)c(C)c1 44473785 572422060 /nfs/dbraw/zinc/42/20/60/572422060.db2.gz KFYDWOVGOBJFHX-NSHDSACASA-N 0 0 194.274 2.371 10 0 AEAERN Cc1nc(-c2cccnc2)oc1C 117163071 572422162 /nfs/dbraw/zinc/42/21/62/572422162.db2.gz UCEOOTYCXAIKBA-UHFFFAOYSA-N 0 0 174.203 2.353 10 0 AEAERN Cn1ccc(C=O)c1Cc1ccco1 76633394 572423936 /nfs/dbraw/zinc/42/39/36/572423936.db2.gz VXWCVFYJLPQAOC-UHFFFAOYSA-N 0 0 189.214 2.021 10 0 AEAERN CC[C@@H](F)CSc1nccn1C 308017902 572423937 /nfs/dbraw/zinc/42/39/37/572423937.db2.gz RLSCUBDUBCBJOB-SSDOTTSWSA-N 0 0 188.271 2.260 10 0 AEAERN CC(C)(C)CC[C@@H](O)c1ncc[nH]1 87339875 572422469 /nfs/dbraw/zinc/42/24/69/572422469.db2.gz JRCYFIWSPVBREM-MRVPVSSYSA-N 0 0 182.267 2.269 10 0 AEAERN CCCC[C@@](C)(O)C[C@@H](O)C(C)C 238796007 572422489 /nfs/dbraw/zinc/42/24/89/572422489.db2.gz VNSKWVUOAHAZHL-GHMZBOCLSA-N 0 0 188.311 2.335 10 0 AEAERN COC[C@](C)(O)c1cc(C)cc(C)c1 53173300 572422493 /nfs/dbraw/zinc/42/24/93/572422493.db2.gz RFCTYPIXOOFXRR-LBPRGKRZSA-N 0 0 194.274 2.157 10 0 AEAERN CCCC[C@@](C)(O)[C@H](O)CCC 238796043 572422531 /nfs/dbraw/zinc/42/25/31/572422531.db2.gz QSLDHUNCYZAFQZ-NXEZZACHSA-N 0 0 174.284 2.089 10 0 AEAERN CC[C@H](C)CC(=O)c1ncc[nH]1 87339473 572422622 /nfs/dbraw/zinc/42/26/22/572422622.db2.gz WZWFBELMHGIZJT-ZETCQYMHSA-N 0 0 166.224 2.029 10 0 AEAERN CC[C@@H](O)CNc1ccc(F)c(C)c1 61097518 572422641 /nfs/dbraw/zinc/42/26/41/572422641.db2.gz WYXGROISUFFYAA-SNVBAGLBSA-N 0 0 197.253 2.317 10 0 AEAERN C/C=C/C(=O)N[C@H](C)CCCC 87333739 572422692 /nfs/dbraw/zinc/42/26/92/572422692.db2.gz GZYZMWCSPAGIBJ-VPIOIWJLSA-N 0 0 169.268 2.257 10 0 AEAERN CCCC[C@@H](C(=O)C(C)C)[C@@H](C)O 238238588 572422666 /nfs/dbraw/zinc/42/26/66/572422666.db2.gz DNQQRJJMOSLTCD-NXEZZACHSA-N 0 0 186.295 2.399 10 0 AEAERN CCCCC[C@H](O)[C@@H]1C=C(C)OC1=O 238238500 572422788 /nfs/dbraw/zinc/42/27/88/572422788.db2.gz HHSTZDRXVPQUHC-UWVGGRQHSA-N 0 0 198.262 2.004 10 0 AEAERN CCCC[C@@](C)(O)C(=O)CCC 238795978 572422891 /nfs/dbraw/zinc/42/28/91/572422891.db2.gz CHANUQSECBTVIS-SNVBAGLBSA-N 0 0 172.268 2.297 10 0 AEAERN Cc1coc(-c2ccc(C=O)n2C)c1 76633390 572422892 /nfs/dbraw/zinc/42/28/92/572422892.db2.gz FHJMUKUSYVHUFK-UHFFFAOYSA-N 0 0 189.214 2.406 10 0 AEAERN CC(C)(O)c1cccc2cnccc12 61123416 572422954 /nfs/dbraw/zinc/42/29/54/572422954.db2.gz UTDIXBPPVGAHEV-UHFFFAOYSA-N 0 0 187.242 2.462 10 0 AEAERN Cc1ccc(-c2ccc(C=O)n2C)o1 76633387 572422979 /nfs/dbraw/zinc/42/29/79/572422979.db2.gz NLKMLUDHPQPWIY-UHFFFAOYSA-N 0 0 189.214 2.406 10 0 AEAERN Cc1c(C=O)c2cccc(O)c2n1C 76633410 572423953 /nfs/dbraw/zinc/42/39/53/572423953.db2.gz SLHDMDGOZRYTIS-UHFFFAOYSA-N 0 0 189.214 2.005 10 0 AEAERN CCc1c(C[NH3+])n(C)c2ccccc12 76633229 572423058 /nfs/dbraw/zinc/42/30/58/572423058.db2.gz QLNMTVCXMNSIPN-UHFFFAOYSA-N 0 0 188.274 2.199 10 0 AEAERN CCC[C@@H]([NH3+])c1cccc(F)c1CO 238238557 572423075 /nfs/dbraw/zinc/42/30/75/572423075.db2.gz IVJDAUZJCDXFSI-LLVKDONJSA-N 0 0 197.253 2.118 10 0 AEAERN C[C@@H](O)[C@H](C)CC(F)(F)C(F)F 308018566 572423146 /nfs/dbraw/zinc/42/31/46/572423146.db2.gz SXFQKWFKGHTATR-RFZPGFLSSA-N 0 0 188.164 2.294 10 0 AEAERN CCCCC[C@H](O)[C@@H]1CCC(=O)C1 238238532 572423171 /nfs/dbraw/zinc/42/31/71/572423171.db2.gz CXXSRVNISWRPSZ-KOLCDFICSA-N 0 0 184.279 2.297 10 0 AEAERN CCCC[C@@](C)(O)CCCCCO 238795994 572423406 /nfs/dbraw/zinc/42/34/06/572423406.db2.gz DKTQMWGMNOXURE-LLVKDONJSA-N 0 0 188.311 2.480 10 0 AEAERN CC(=O)c1cc2cccc(O)c2n1C 76633412 572423424 /nfs/dbraw/zinc/42/34/24/572423424.db2.gz JSZDYKCDBWSNIQ-UHFFFAOYSA-N 0 0 189.214 2.087 10 0 AEAERN Cc1c(C=O)c2ccc(O)cc2n1C 76633402 572423451 /nfs/dbraw/zinc/42/34/51/572423451.db2.gz NZZPNXSOTFSFCA-UHFFFAOYSA-N 0 0 189.214 2.005 10 0 AEAERN CC(C)(C)[C@H](O)[C@@H]1CCCCC1=O 196628250 572423577 /nfs/dbraw/zinc/42/35/77/572423577.db2.gz UJBROTKAQRKNHQ-PSASIEDQSA-N 0 0 184.279 2.153 10 0 AEAERN CCc1oc(C(F)(F)F)cc1C[NH3+] 77075983 572423701 /nfs/dbraw/zinc/42/37/01/572423701.db2.gz UEHIZCJJQVKJBC-UHFFFAOYSA-N 0 0 193.168 2.320 10 0 AEAERN CC[C@H]1Cc2ccccc2[C@H]1O 44469932 572423708 /nfs/dbraw/zinc/42/37/08/572423708.db2.gz KQRPNIYUOJXXFR-KWQFWETISA-N 0 0 162.232 2.302 10 0 AEAERN CC[C@@H]1CCC(=O)C[C@H]1C 196620674 572423727 /nfs/dbraw/zinc/42/37/27/572423727.db2.gz GCFDTWDEMHGEGF-HTQZYQBOSA-N 0 0 140.226 2.402 10 0 AEAERN Cn1cc(C=O)cc1Cc1ccco1 76633397 572423730 /nfs/dbraw/zinc/42/37/30/572423730.db2.gz QMUAYVRYANTWGO-UHFFFAOYSA-N 0 0 189.214 2.021 10 0 AEAERN CC[C@@H]1CCC(=O)C[C@@H]1C 196620656 572423790 /nfs/dbraw/zinc/42/37/90/572423790.db2.gz GCFDTWDEMHGEGF-JGVFFNPUSA-N 0 0 140.226 2.402 10 0 AEAERN CC[C@H](F)CSc1nccn1C 308017903 572423844 /nfs/dbraw/zinc/42/38/44/572423844.db2.gz RLSCUBDUBCBJOB-ZETCQYMHSA-N 0 0 188.271 2.260 10 0 AEAERN Cc1ccccc1OC(=S)N(C)C 196628154 572423927 /nfs/dbraw/zinc/42/39/27/572423927.db2.gz CGVLMGYADJZSDJ-UHFFFAOYSA-N 0 0 195.287 2.220 10 0 AEAERN Cc1ccoc1-c1ccc(C=O)n1C 76633385 572424011 /nfs/dbraw/zinc/42/40/11/572424011.db2.gz KOSRYWXGRACPLW-UHFFFAOYSA-N 0 0 189.214 2.406 10 0 AEAERN C[C@H](O)[C@H](C)CC(F)(F)C(F)F 308018569 572424026 /nfs/dbraw/zinc/42/40/26/572424026.db2.gz SXFQKWFKGHTATR-UHNVWZDZSA-N 0 0 188.164 2.294 10 0 AEAERN CCCCNC(=S)OC(C)C 196628074 572424046 /nfs/dbraw/zinc/42/40/46/572424046.db2.gz AFRDNVFZWUCVKX-UHFFFAOYSA-N 0 0 175.297 2.086 10 0 AEAERN CC[C@H]1CCC(=O)C[C@H]1C 196620687 572424220 /nfs/dbraw/zinc/42/42/20/572424220.db2.gz GCFDTWDEMHGEGF-SFYZADRCSA-N 0 0 140.226 2.402 10 0 AEAERN CCCC[C@@](C)(O)C[C@@H](O)CC 238796009 572424236 /nfs/dbraw/zinc/42/42/36/572424236.db2.gz PDNNBOUJFKARTH-VHSXEESVSA-N 0 0 174.284 2.089 10 0 AEAERN CC[C@@H]1Cc2ccccc2[C@H]1O 44469929 572424275 /nfs/dbraw/zinc/42/42/75/572424275.db2.gz KQRPNIYUOJXXFR-KCJUWKMLSA-N 0 0 162.232 2.302 10 0 AEAERN Cn1cc(C=O)c(Cc2ccco2)c1 76633393 572424277 /nfs/dbraw/zinc/42/42/77/572424277.db2.gz YAEMVMNTRIFUOL-UHFFFAOYSA-N 0 0 189.214 2.021 10 0 AEAERN CC(C)(C)[C@H](O)[C@H]1CCCCC1=O 196628286 572424306 /nfs/dbraw/zinc/42/43/06/572424306.db2.gz UJBROTKAQRKNHQ-WCBMZHEXSA-N 0 0 184.279 2.153 10 0 AEAERN CC[Si](CC)(CC)[C@H](C)O 196627486 572424388 /nfs/dbraw/zinc/42/43/88/572424388.db2.gz KYEPYBOXOPVJIH-MRVPVSSYSA-N 0 0 160.333 2.415 10 0 AEAERN CC(C)c1ccc(COC(N)=O)cc1 238238633 572424402 /nfs/dbraw/zinc/42/44/02/572424402.db2.gz OKCUVZFVQSYWQJ-UHFFFAOYSA-N 0 0 193.246 2.405 10 0 AEAERN CCCC[C@@](C)(O)[C@@H](O)CCC 238796031 572424433 /nfs/dbraw/zinc/42/44/33/572424433.db2.gz QSLDHUNCYZAFQZ-VHSXEESVSA-N 0 0 174.284 2.089 10 0 AEAERN C[C@H](O)CCc1ccsc1 44469670 572424501 /nfs/dbraw/zinc/42/45/01/572424501.db2.gz IOGDEMOJKYADTN-ZETCQYMHSA-N 0 0 156.250 2.062 10 0 AEAERN CC[C@H]1CCC(=O)C[C@@H]1C 196620663 572424553 /nfs/dbraw/zinc/42/45/53/572424553.db2.gz GCFDTWDEMHGEGF-YUMQZZPRSA-N 0 0 140.226 2.402 10 0 AEAERN CC[C@H]1Cc2ccccc2[C@@H]1O 44469926 572424703 /nfs/dbraw/zinc/42/47/03/572424703.db2.gz KQRPNIYUOJXXFR-GZMMTYOYSA-N 0 0 162.232 2.302 10 0 AEAERN CC[Si](CC)(CC)[C@@H](C)O 196627471 572424740 /nfs/dbraw/zinc/42/47/40/572424740.db2.gz KYEPYBOXOPVJIH-QMMMGPOBSA-N 0 0 160.333 2.415 10 0 AEAERN O=c1[nH]sc2c(Cl)cccc12 196632097 572424765 /nfs/dbraw/zinc/42/47/65/572424765.db2.gz ACUCQMXQTYCCHN-UHFFFAOYSA-N 0 0 185.635 2.243 10 0 AEAERN CCCC[C@@H](C(=O)CC)[C@@H](C)O 238238603 572424804 /nfs/dbraw/zinc/42/48/04/572424804.db2.gz DYPVOMVQIHHTQE-RKDXNWHRSA-N 0 0 172.268 2.153 10 0 AEAERN CCCC[C@@](C)(O)C[C@H](O)CC 238796013 572424829 /nfs/dbraw/zinc/42/48/29/572424829.db2.gz PDNNBOUJFKARTH-NXEZZACHSA-N 0 0 174.284 2.089 10 0 AEAERN C[C@H](O)C=C=C1CCCCC1 196627660 572424910 /nfs/dbraw/zinc/42/49/10/572424910.db2.gz JGFJWYGBSQNLLN-VIFPVBQESA-N 0 0 152.237 2.413 10 0 AEAERN CC[C@H](O)CNc1ccc(F)c(C)c1 61097516 572424988 /nfs/dbraw/zinc/42/49/88/572424988.db2.gz WYXGROISUFFYAA-JTQLQIEISA-N 0 0 197.253 2.317 10 0 AEAERN CC[C@H](Cc1nnc(C)o1)SC 308017879 572425000 /nfs/dbraw/zinc/42/50/00/572425000.db2.gz RKXIQSNIWGRPKL-SSDOTTSWSA-N 0 0 186.280 2.062 10 0 AEAERN c1ccc2c(c1)NC[C@H]1CCCN2C1 76633172 572425006 /nfs/dbraw/zinc/42/50/06/572425006.db2.gz YWLXIXYAGMPYPQ-SNVBAGLBSA-N 0 0 188.274 2.329 10 0 AEAERN CC[C@@H](Cc1nnc(C)o1)SC 308017881 572425073 /nfs/dbraw/zinc/42/50/73/572425073.db2.gz RKXIQSNIWGRPKL-ZETCQYMHSA-N 0 0 186.280 2.062 10 0 AEAERN C[C@@H](CC(F)(F)C(F)F)[C@@H](C)O 308018563 572425093 /nfs/dbraw/zinc/42/50/93/572425093.db2.gz SXFQKWFKGHTATR-CRCLSJGQSA-N 0 0 188.164 2.294 10 0 AEAERN Cn1cnc2cc(NC3CC3)ccc21 76632529 572425116 /nfs/dbraw/zinc/42/51/16/572425116.db2.gz ZTCYPCIDQLTFBV-UHFFFAOYSA-N 0 0 187.246 2.148 10 0 AEAERN CCCC[C@@](C)(O)CCCCO 238795996 572425232 /nfs/dbraw/zinc/42/52/32/572425232.db2.gz DBWANRURMCACBL-SNVBAGLBSA-N 0 0 174.284 2.090 10 0 AEAERN C[C@@H](O)C=C=C1CCCCC1 196627679 572425277 /nfs/dbraw/zinc/42/52/77/572425277.db2.gz JGFJWYGBSQNLLN-SECBINFHSA-N 0 0 152.237 2.413 10 0 AEAERN Cc1ccc([C@@H](O)[C@H]2CC2(C)C)cn1 235918005 572425294 /nfs/dbraw/zinc/42/52/94/572425294.db2.gz CBHHGYBPXIJAOM-GHMZBOCLSA-N 0 0 191.274 2.470 10 0 AEAERN O=C([O-])CCCCCC[NH+]1CCCC1 83823268 572425410 /nfs/dbraw/zinc/42/54/10/572425410.db2.gz MJHBDPVPHGKDQB-UHFFFAOYSA-N 0 0 199.294 2.117 10 0 AEAERN CC[C@@H]1CC[C@@H](O)C[C@@H]1C 196620823 572425429 /nfs/dbraw/zinc/42/54/29/572425429.db2.gz PSKINHXGAINWRI-DJLDLDEBSA-N 0 0 142.242 2.194 10 0 AEAERN CCCC[C@H](SCCC)C(N)=O 238238434 572425433 /nfs/dbraw/zinc/42/54/33/572425433.db2.gz BIOUKKZNAQJYDR-QMMMGPOBSA-N 0 0 189.324 2.174 10 0 AEAERN CCCCOc1cc(N)ccc1C=O 238238653 572425473 /nfs/dbraw/zinc/42/54/73/572425473.db2.gz YEKIPFWAOALIFE-UHFFFAOYSA-N 0 0 193.246 2.260 10 0 AEAERN CCCC[C@@](C)(O)C[C@H](O)C(C)C 238796011 572425477 /nfs/dbraw/zinc/42/54/77/572425477.db2.gz VNSKWVUOAHAZHL-WDEREUQCSA-N 0 0 188.311 2.335 10 0 AEAERN Cc1oc([Si](C)(C)C)c(C)c1C=O 196632881 572425500 /nfs/dbraw/zinc/42/55/00/572425500.db2.gz VPLHQTGEZCVDHW-UHFFFAOYSA-N 0 0 196.322 2.254 10 0 AEAERN CC[C@@H]1CC[C@H](O)C[C@@H]1C 196620781 572425571 /nfs/dbraw/zinc/42/55/71/572425571.db2.gz PSKINHXGAINWRI-YIZRAAEISA-N 0 0 142.242 2.194 10 0 AEAERN CCCC[C@@H](C(N)=O)[C@@H](C)CC 238238491 572425624 /nfs/dbraw/zinc/42/56/24/572425624.db2.gz AAGOYBOZLBQSMB-DTWKUNHWSA-N 0 0 171.284 2.324 10 0 AEAERN CC1(C)C[C@@H]2CC[C@H]2C1=O 196622780 572425694 /nfs/dbraw/zinc/42/56/94/572425694.db2.gz NCACSEMUDSVPEC-NKWVEPMBSA-N 0 0 138.210 2.012 10 0 AEAERN C=C=C(C)C(=O)Nc1ccccc1 196631789 572425745 /nfs/dbraw/zinc/42/57/45/572425745.db2.gz ZTNJOVVUPOXZGE-UHFFFAOYSA-N 0 0 173.215 2.356 10 0 AEAERN CC(C)(C)[C@@H](O)[C@@H]1CCCCC1=O 196628268 572425751 /nfs/dbraw/zinc/42/57/51/572425751.db2.gz UJBROTKAQRKNHQ-SCZZXKLOSA-N 0 0 184.279 2.153 10 0 AEAERN CCC[C@H](NN)[C@@H](C)CC(C)C 308019744 572426225 /nfs/dbraw/zinc/42/62/25/572426225.db2.gz TZXCIJCUMFSNQU-UWVGGRQHSA-N 0 0 172.316 2.301 10 0 AEAERN CC1(C)C[C@H]2CC[C@@H]2C1=O 196622767 572426180 /nfs/dbraw/zinc/42/61/80/572426180.db2.gz NCACSEMUDSVPEC-RQJHMYQMSA-N 0 0 138.210 2.012 10 0 AEAERN Cc1ccc(OC(=S)N(C)C)cc1 196628175 572426256 /nfs/dbraw/zinc/42/62/56/572426256.db2.gz KVHWLHSOXWHQHR-UHFFFAOYSA-N 0 0 195.287 2.220 10 0 AEAERN C[C@@]1(C[C@@H](O)C2CC2)CC1(F)F 689633618 572426375 /nfs/dbraw/zinc/42/63/75/572426375.db2.gz FYQGLMMBTNJKTG-HTQZYQBOSA-N 0 0 176.206 2.193 10 0 AEAERN CC1(C)C[C@@H]2CC[C@@H]2C1=O 196622754 572426443 /nfs/dbraw/zinc/42/64/43/572426443.db2.gz NCACSEMUDSVPEC-BQBZGAKWSA-N 0 0 138.210 2.012 10 0 AEAERN CC(C)(C)[C@@H](O)[C@H]1CCCCC1=O 196628303 572426480 /nfs/dbraw/zinc/42/64/80/572426480.db2.gz UJBROTKAQRKNHQ-WPRPVWTQSA-N 0 0 184.279 2.153 10 0 AEAERN C[C@@H](O)CCCNc1ccccc1 83823507 572426497 /nfs/dbraw/zinc/42/64/97/572426497.db2.gz MCERGVNYQAXMHW-SNVBAGLBSA-N 0 0 179.263 2.260 10 0 AEAERN CCC[C@@H]([NH3+])c1cccc(C(C)=O)n1 238237965 572426508 /nfs/dbraw/zinc/42/65/08/572426508.db2.gz HPYUAFSHUGGHLC-SECBINFHSA-N 0 0 192.262 2.084 10 0 AEAERN OCc1csc(=S)s1 196634176 572426577 /nfs/dbraw/zinc/42/65/77/572426577.db2.gz QHFQATPHRJNRGP-UHFFFAOYSA-N 0 0 164.276 2.031 10 0 AEAERN CC[C@@H](O)c1ccc(CCOC)cc1 88330583 572428214 /nfs/dbraw/zinc/42/82/14/572428214.db2.gz NZMMESMESDJNIJ-GFCCVEGCSA-N 0 0 194.274 2.319 10 0 AEAERN C[C@]1(C[C@@H](O)C2CC2)CC1(F)F 689633622 572428218 /nfs/dbraw/zinc/42/82/18/572428218.db2.gz FYQGLMMBTNJKTG-SFYZADRCSA-N 0 0 176.206 2.193 10 0 AEAERN 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/nfs/dbraw/zinc/43/46/16/572434616.db2.gz IRABFEXBKZJETR-HMDXOVGESA-N 0 0 199.294 2.013 10 0 AEAERN CCCC[C@@H](C(N)=O)[C@H](C)CC 238239007 572434743 /nfs/dbraw/zinc/43/47/43/572434743.db2.gz AAGOYBOZLBQSMB-RKDXNWHRSA-N 0 0 171.284 2.324 10 0 AEAERN O[C@@H](CC1CCC1)CC(F)(F)F 83840641 572434816 /nfs/dbraw/zinc/43/48/16/572434816.db2.gz LIPBAYRCRVIFOT-ZETCQYMHSA-N 0 0 182.185 2.490 10 0 AEAERN Cc1[nH]nc2c1N[C@H]1CCC[C@H]1CC2 76635228 572434940 /nfs/dbraw/zinc/43/49/40/572434940.db2.gz NXGDHUFEQOTUQO-IUCAKERBSA-N 0 0 191.278 2.245 10 0 AEAERN O=C1NC[C@@]2(C3CCCCC3)CC[C@@H]12 214745957 572434951 /nfs/dbraw/zinc/43/49/51/572434951.db2.gz CYXULXMESPDVSH-CMPLNLGQSA-N 0 0 193.290 2.093 10 0 AEAERN Nc1cccc(OCOCC2CC2)c1 236371367 572435057 /nfs/dbraw/zinc/43/50/57/572435057.db2.gz VAFSQUDDANXDPT-UHFFFAOYSA-N 0 0 193.246 2.032 10 0 AEAERN O[C@@H](CC1CCC1)C[C@@H]1CCCO1 83840514 572435371 /nfs/dbraw/zinc/43/53/71/572435371.db2.gz IBEIHXNEBWLTHJ-QWRGUYRKSA-N 0 0 184.279 2.107 10 0 AEAERN CC(C)c1cc(CNC2CC2)no1 88383499 572435188 /nfs/dbraw/zinc/43/51/88/572435188.db2.gz GSDAGSGXWVZSOQ-UHFFFAOYSA-N 0 0 180.251 2.050 10 0 AEAERN O=C1NCC2(CC3CCCC3)CC1C2 214746892 572435202 /nfs/dbraw/zinc/43/52/02/572435202.db2.gz JGRKXLGRJBZJRX-UHFFFAOYSA-N 0 0 193.290 2.093 10 0 AEAERN O=C1NC[C@]2(CC3CCCC3)CC[C@@H]12 214746325 572435264 /nfs/dbraw/zinc/43/52/64/572435264.db2.gz IXSLCGKAEAKMCA-CMPLNLGQSA-N 0 0 193.290 2.093 10 0 AEAERN Cc1ccc(-c2nccc(C)c2N)cn1 235915830 572435295 /nfs/dbraw/zinc/43/52/95/572435295.db2.gz YLIKOFRLRRUWHR-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1ccc(C)n1-c1cc(N)cn1C 76633640 572435302 /nfs/dbraw/zinc/43/53/02/572435302.db2.gz NFWUPPUFQPKVBQ-UHFFFAOYSA-N 0 0 189.262 2.015 10 0 AEAERN Cc1[nH]cc(-c2cc(N)cn2C)c1C 76633646 572435327 /nfs/dbraw/zinc/43/53/27/572435327.db2.gz SESJIHXFIKLJHY-UHFFFAOYSA-N 0 0 189.262 2.219 10 0 AEAERN O=C1NC[C@@]2(CC3CCCC3)CC[C@@H]12 214746374 572435390 /nfs/dbraw/zinc/43/53/90/572435390.db2.gz IXSLCGKAEAKMCA-JQWIXIFHSA-N 0 0 193.290 2.093 10 0 AEAERN c1occ2c1NCC[C@H]1CCCCN21 76635499 572435398 /nfs/dbraw/zinc/43/53/98/572435398.db2.gz ITKYZWPBYJYGAZ-SECBINFHSA-N 0 0 192.262 2.454 10 0 AEAERN O=C1NC[C@]2(C3CCCCC3)CC[C@@H]12 214745906 572435404 /nfs/dbraw/zinc/43/54/04/572435404.db2.gz CYXULXMESPDVSH-JQWIXIFHSA-N 0 0 193.290 2.093 10 0 AEAERN CCCC[C@@H](C(=O)C(C)C)[C@H](C)O 238239092 572435473 /nfs/dbraw/zinc/43/54/73/572435473.db2.gz DNQQRJJMOSLTCD-VHSXEESVSA-N 0 0 186.295 2.399 10 0 AEAERN O=C1NC[C@]2(CC3CCCCC3)C[C@H]12 214746447 572435474 /nfs/dbraw/zinc/43/54/74/572435474.db2.gz LLEROGCFZPORJC-PWSUYJOCSA-N 0 0 193.290 2.093 10 0 AEAERN Nc1c(Cl)n2c3c(cccc13)CC2 76635600 572435532 /nfs/dbraw/zinc/43/55/32/572435532.db2.gz XNHIWMAALJURIQ-UHFFFAOYSA-N 0 0 192.649 2.433 10 0 AEAERN O=C1NC[C@]2(CC3CCCC3)CC[C@H]12 214746230 572435585 /nfs/dbraw/zinc/43/55/85/572435585.db2.gz IXSLCGKAEAKMCA-ZYHUDNBSSA-N 0 0 193.290 2.093 10 0 AEAERN O[C@@H](Cc1ccncc1)CC1CCC1 83840744 572435618 /nfs/dbraw/zinc/43/56/18/572435618.db2.gz CEADEJBZRMIWKD-GFCCVEGCSA-N 0 0 191.274 2.175 10 0 AEAERN Cc1[nH]nc2c1N[C@@H]1CCC[C@H]1CC2 76635234 572435675 /nfs/dbraw/zinc/43/56/75/572435675.db2.gz NXGDHUFEQOTUQO-DTWKUNHWSA-N 0 0 191.278 2.245 10 0 AEAERN CCCC[C@@H](C(=O)CC)[C@H](C)O 238239105 572435686 /nfs/dbraw/zinc/43/56/86/572435686.db2.gz DYPVOMVQIHHTQE-DTWKUNHWSA-N 0 0 172.268 2.153 10 0 AEAERN CCCCC[C@H]1C(=O)NCC1(C)C 238240387 572435742 /nfs/dbraw/zinc/43/57/42/572435742.db2.gz RKRIPPCGCJAPBL-VIFPVBQESA-N 0 0 183.295 2.339 10 0 AEAERN O=C1NC[C@@]2(C3CCCCCC3)C[C@@H]12 214746151 572435761 /nfs/dbraw/zinc/43/57/61/572435761.db2.gz RWNPBIOPTJIMOD-CMPLNLGQSA-N 0 0 193.290 2.093 10 0 AEAERN O=C1NC[C@]2(C3CCCCCC3)C[C@H]12 214746007 572435769 /nfs/dbraw/zinc/43/57/69/572435769.db2.gz RWNPBIOPTJIMOD-PWSUYJOCSA-N 0 0 193.290 2.093 10 0 AEAERN CCSC[C@H](O)CC1CCC1 83840856 572435771 /nfs/dbraw/zinc/43/57/71/572435771.db2.gz SYAQYQDZTWNIDZ-SECBINFHSA-N 0 0 174.309 2.291 10 0 AEAERN Nc1ncccc1[C@H]1CCCS1 53277247 572435781 /nfs/dbraw/zinc/43/57/81/572435781.db2.gz JAJWXPQYEROJAE-MRVPVSSYSA-N 0 0 180.276 2.232 10 0 AEAERN CC[C@@H](F)CSc1ncccn1 308025669 572435794 /nfs/dbraw/zinc/43/57/94/572435794.db2.gz YZMCVSPVKSKKOI-SSDOTTSWSA-N 0 0 186.255 2.317 10 0 AEAERN Cc1c(-c2cc(N)c[nH]2)cn(C)c1C 76633648 572435812 /nfs/dbraw/zinc/43/58/12/572435812.db2.gz BBHIHSGRQLHVHS-UHFFFAOYSA-N 0 0 189.262 2.219 10 0 AEAERN Cc1cc(C[C@H]2CCCCC2=O)[nH]n1 76635467 572435830 /nfs/dbraw/zinc/43/58/30/572435830.db2.gz HHLSQWRBHSOJTA-SECBINFHSA-N 0 0 192.262 2.020 10 0 AEAERN O=C1NC[C@]2(C3CCCCC3)CC[C@H]12 214745804 572435906 /nfs/dbraw/zinc/43/59/06/572435906.db2.gz CYXULXMESPDVSH-PWSUYJOCSA-N 0 0 193.290 2.093 10 0 AEAERN O=C(CC1CCC1)C[C@@H]1CCCO1 83840063 572435989 /nfs/dbraw/zinc/43/59/89/572435989.db2.gz PSVWDFXNDFCIGS-NSHDSACASA-N 0 0 182.263 2.315 10 0 AEAERN O=C(Cc1ccccn1)CC1CCC1 83840073 572436120 /nfs/dbraw/zinc/43/61/20/572436120.db2.gz GZJZAUSLSDXDSV-UHFFFAOYSA-N 0 0 189.258 2.383 10 0 AEAERN O=C1NC[C@@]2(C3CCCCC3)CC[C@H]12 214745853 572436132 /nfs/dbraw/zinc/43/61/32/572436132.db2.gz CYXULXMESPDVSH-ZYHUDNBSSA-N 0 0 193.290 2.093 10 0 AEAERN O[C@H](Cc1ccccn1)CC1CCC1 83840545 572436151 /nfs/dbraw/zinc/43/61/51/572436151.db2.gz PQHAIMZXBCWNLX-LBPRGKRZSA-N 0 0 191.274 2.175 10 0 AEAERN O=C1NC[C@@]2(CC3CCCCC3)C[C@@H]12 214746588 572436155 /nfs/dbraw/zinc/43/61/55/572436155.db2.gz LLEROGCFZPORJC-CMPLNLGQSA-N 0 0 193.290 2.093 10 0 AEAERN CCSCC(=O)CC1CCC1 83840265 572436196 /nfs/dbraw/zinc/43/61/96/572436196.db2.gz IFCWQHQRPACEOR-UHFFFAOYSA-N 0 0 172.293 2.499 10 0 AEAERN c1occ2c1NCC[C@@H]1CCCCN21 76635502 572436211 /nfs/dbraw/zinc/43/62/11/572436211.db2.gz ITKYZWPBYJYGAZ-VIFPVBQESA-N 0 0 192.262 2.454 10 0 AEAERN CCSC[C@@H](O)CC1CCC1 83840857 572436335 /nfs/dbraw/zinc/43/63/35/572436335.db2.gz SYAQYQDZTWNIDZ-VIFPVBQESA-N 0 0 174.309 2.291 10 0 AEAERN CCOC(=O)N(C)CCC(F)(F)F 88393560 572436390 /nfs/dbraw/zinc/43/63/90/572436390.db2.gz AUGKPJNTMLQMPL-UHFFFAOYSA-N 0 0 199.172 2.027 10 0 AEAERN O[C@@H](CC1CCC1)C[C@H]1CCCO1 83840519 572436416 /nfs/dbraw/zinc/43/64/16/572436416.db2.gz IBEIHXNEBWLTHJ-WDEREUQCSA-N 0 0 184.279 2.107 10 0 AEAERN O=C(Cc1cccnc1)CC1CCC1 83840173 572436586 /nfs/dbraw/zinc/43/65/86/572436586.db2.gz ODTMBRFHYYMTMR-UHFFFAOYSA-N 0 0 189.258 2.383 10 0 AEAERN CC1(C)COc2ccc(N)cc2OC1 76635781 572436601 /nfs/dbraw/zinc/43/66/01/572436601.db2.gz BTCGBYGHYVEFRV-UHFFFAOYSA-N 0 0 193.246 2.066 10 0 AEAERN CCCCC[C@H](O)[C@H]1C=C(C)OC1=O 238239322 572436613 /nfs/dbraw/zinc/43/66/13/572436613.db2.gz HHSTZDRXVPQUHC-ZJUUUORDSA-N 0 0 198.262 2.004 10 0 AEAERN CCC(=O)c1cc(C=O)oc1CC 238240354 572436662 /nfs/dbraw/zinc/43/66/62/572436662.db2.gz ASIAOGDTQZLHIB-UHFFFAOYSA-N 0 0 180.203 2.247 10 0 AEAERN COCCCC(=O)CC1CCC1 83840264 572436713 /nfs/dbraw/zinc/43/67/13/572436713.db2.gz UJUNXLUOQYNYMQ-UHFFFAOYSA-N 0 0 170.252 2.172 10 0 AEAERN c1cc2c(s1)NC[C@H]1CCCN2C1 76636209 572436716 /nfs/dbraw/zinc/43/67/16/572436716.db2.gz LQYDSDKTIWAVMS-MRVPVSSYSA-N 0 0 194.303 2.390 10 0 AEAERN FCCCCCNCC(F)(F)F 308026029 572436826 /nfs/dbraw/zinc/43/68/26/572436826.db2.gz XBHHZSNJIXLDGQ-UHFFFAOYSA-N 0 0 187.180 2.278 10 0 AEAERN CC[C@H](F)CSc1ncccn1 308025671 572436899 /nfs/dbraw/zinc/43/68/99/572436899.db2.gz YZMCVSPVKSKKOI-ZETCQYMHSA-N 0 0 186.255 2.317 10 0 AEAERN Cc1cccc(C)c1N1CCC(=O)C1 76633587 572437058 /nfs/dbraw/zinc/43/70/58/572437058.db2.gz KUSGGZVHBXLYNL-UHFFFAOYSA-N 0 0 189.258 2.083 10 0 AEAERN O[C@H](Cc1ccncc1)CC1CCC1 83840747 572437070 /nfs/dbraw/zinc/43/70/70/572437070.db2.gz CEADEJBZRMIWKD-LBPRGKRZSA-N 0 0 191.274 2.175 10 0 AEAERN Nc1c[nH]c(-c2cc3ccncc3o2)c1 74236351 572437221 /nfs/dbraw/zinc/43/72/21/572437221.db2.gz MSXPQUINMOLTKI-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN Nc1c[nH]nc1-c1cc2ccccc2o1 74236333 572437149 /nfs/dbraw/zinc/43/71/49/572437149.db2.gz XUZTXQSZCXLWFD-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN Nc1cnoc1-c1c[nH]c2ccccc12 74236305 572437170 /nfs/dbraw/zinc/43/71/70/572437170.db2.gz IVJCYVQEQOWEGT-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN Nc1c[nH]c(-c2cccc3ncoc23)c1 74236354 572437192 /nfs/dbraw/zinc/43/71/92/572437192.db2.gz GYGRZJOEXXMDIN-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN Cc1ccc([C@@H](O)[C@@H]2CC2(C)C)cn1 235916251 572437271 /nfs/dbraw/zinc/43/72/71/572437271.db2.gz CBHHGYBPXIJAOM-WDEREUQCSA-N 0 0 191.274 2.470 10 0 AEAERN Nc1cc2ncn(-c3ccccc3)c2o1 74236312 572437632 /nfs/dbraw/zinc/43/76/32/572437632.db2.gz YRDLDVGOAVHLOL-UHFFFAOYSA-N 0 0 199.213 2.201 10 0 AEAERN Cc1cc(C)cc(-c2cnc(N)cn2)c1 83891359 572437654 /nfs/dbraw/zinc/43/76/54/572437654.db2.gz WVKLAOQNEPRFMJ-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN c1ccn(CC[C@@H]2CCCO2)c1 44510622 572437671 /nfs/dbraw/zinc/43/76/71/572437671.db2.gz GMEAKSDGIGBYHT-JTQLQIEISA-N 0 0 165.236 2.057 10 0 AEAERN S=c1[nH]ccn1CC[C@H]1CCCO1 44510381 572437678 /nfs/dbraw/zinc/43/76/78/572437678.db2.gz NUKGNMKLJJXQSX-MRVPVSSYSA-N 0 0 198.291 2.115 10 0 AEAERN Nc1cnoc1-c1cccc2cc[nH]c12 74236328 572437912 /nfs/dbraw/zinc/43/79/12/572437912.db2.gz PFTKGVOUVIJYSX-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN Cc1nc(NCC(C)C)sc1C=O 74237286 572437936 /nfs/dbraw/zinc/43/79/36/572437936.db2.gz WRSOAFHHTVAKGD-UHFFFAOYSA-N 0 0 198.291 2.332 10 0 AEAERN Nc1cnoc1-c1ccc2[nH]ccc2c1 74236306 572437943 /nfs/dbraw/zinc/43/79/43/572437943.db2.gz JZOYUKRGQYTMIT-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN Nc1ccc2[nH]c3[nH]c(C=O)cc3c2c1 74236327 572438147 /nfs/dbraw/zinc/43/81/47/572438147.db2.gz WRDANGHRFQCUNZ-UHFFFAOYSA-N 0 0 199.213 2.044 10 0 AEAERN O=C1CCC[NH2+]C[C@@H]1C1CCCCC1 76636668 572438163 /nfs/dbraw/zinc/43/81/63/572438163.db2.gz OUQKTPSOHQZGBI-LLVKDONJSA-N 0 0 195.306 2.135 10 0 AEAERN C[C@@H]1CC[C@H](CCCC(N)=O)C1 238804130 572438435 /nfs/dbraw/zinc/43/84/35/572438435.db2.gz FGNSISBYAZCNEX-BDAKNGLRSA-N 0 0 169.268 2.078 10 0 AEAERN Nc1cc(-c2ccc3[nH]ccc3c2)no1 74236344 572438452 /nfs/dbraw/zinc/43/84/52/572438452.db2.gz SXAQZOZFEGPQEC-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN Nc1cc2c(ncn2-c2ccccc2)o1 74236310 572438483 /nfs/dbraw/zinc/43/84/83/572438483.db2.gz NLAJUECUXDPLQN-UHFFFAOYSA-N 0 0 199.213 2.201 10 0 AEAERN Nc1c[nH]c(-c2cc3cccnc3o2)c1 74236352 572438586 /nfs/dbraw/zinc/43/85/86/572438586.db2.gz LFFJKXBFCBJLLX-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN c1ccn(CC[C@H]2CCCO2)c1 44510623 572438730 /nfs/dbraw/zinc/43/87/30/572438730.db2.gz GMEAKSDGIGBYHT-SNVBAGLBSA-N 0 0 165.236 2.057 10 0 AEAERN Cc1nsc(C)c1C[NH2+]C1CCC1 76636995 572438863 /nfs/dbraw/zinc/43/88/63/572438863.db2.gz DUQZKUJFTLZBCT-UHFFFAOYSA-N 0 0 196.319 2.402 10 0 AEAERN CCC[C@@H]([NH3+])c1cnccc1OCC 238240574 572438987 /nfs/dbraw/zinc/43/89/87/572438987.db2.gz WJEGNVXIJBQHOF-SNVBAGLBSA-N 0 0 194.278 2.280 10 0 AEAERN O=C1CC[NH2+]CC[C@@H]1C1CCCCC1 76636672 572439069 /nfs/dbraw/zinc/43/90/69/572439069.db2.gz AEYXLBLNPYUJCX-LLVKDONJSA-N 0 0 195.306 2.135 10 0 AEAERN CCCC(=O)[C@@H](C)CCOCC 238240602 572439121 /nfs/dbraw/zinc/43/91/21/572439121.db2.gz MGVYKCXXXWTFIJ-VIFPVBQESA-N 0 0 172.268 2.418 10 0 AEAERN Nc1cccc2c1[nH]c1[nH]c(C=O)cc12 74236322 572439271 /nfs/dbraw/zinc/43/92/71/572439271.db2.gz GWSNZCULIXWLMI-UHFFFAOYSA-N 0 0 199.213 2.044 10 0 AEAERN CC(C)(C)c1ncc(C=O)c(Cl)n1 74236532 572439332 /nfs/dbraw/zinc/43/93/32/572439332.db2.gz QJWAKCFNFMTMDQ-UHFFFAOYSA-N 0 0 198.653 2.240 10 0 AEAERN S=c1[nH]ccn1CC[C@@H]1CCCO1 44510380 572439499 /nfs/dbraw/zinc/43/94/99/572439499.db2.gz NUKGNMKLJJXQSX-QMMMGPOBSA-N 0 0 198.291 2.115 10 0 AEAERN Nc1cnoc1-c1cc2ccccc2[nH]1 74236337 572439510 /nfs/dbraw/zinc/43/95/10/572439510.db2.gz NNHUIDRVVBAIFJ-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN Brc1cc2ccccn2n1 76637108 572439525 /nfs/dbraw/zinc/43/95/25/572439525.db2.gz KFYXOEONVILLTQ-UHFFFAOYSA-N 0 0 197.035 2.097 10 0 AEAERN COc1csc2c1cc(C=O)n2C 76636473 572439603 /nfs/dbraw/zinc/43/96/03/572439603.db2.gz CLEOGAFJKVQYNF-UHFFFAOYSA-N 0 0 195.243 2.061 10 0 AEAERN CCCCCCNC(=O)NCl 238240641 572439919 /nfs/dbraw/zinc/43/99/19/572439919.db2.gz GUFRADGUEWDBDO-UHFFFAOYSA-N 0 0 178.663 2.020 10 0 AEAERN O=Cc1nc2ccc(F)c(F)c2s1 74236500 572440059 /nfs/dbraw/zinc/44/00/59/572440059.db2.gz NPYGAMSMOHJMAM-UHFFFAOYSA-N 0 0 199.181 2.387 10 0 AEAERN CCCNC(=O)SCC(C)C 238239942 572440108 /nfs/dbraw/zinc/44/01/08/572440108.db2.gz IVAKPJNLXYPNBF-UHFFFAOYSA-N 0 0 175.297 2.495 10 0 AEAERN Cc1ccc(-c2cnc(N)cn2)cc1C 83891390 572440113 /nfs/dbraw/zinc/44/01/13/572440113.db2.gz ZYAIWYIEXGWQQJ-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN O=C1CCC[NH2+][C@H]1CC1CCCCC1 76636664 572440194 /nfs/dbraw/zinc/44/01/94/572440194.db2.gz UXYAOOYGIFBLCK-NSHDSACASA-N 0 0 195.306 2.278 10 0 AEAERN Nc1cccc2[nH]c3[nH]c(C=O)cc3c12 74236325 572440390 /nfs/dbraw/zinc/44/03/90/572440390.db2.gz RYMCUJLUVXKYED-UHFFFAOYSA-N 0 0 199.213 2.044 10 0 AEAERN O=C1CCC[NH2+][C@@H]1CC1CCCCC1 76636661 572440433 /nfs/dbraw/zinc/44/04/33/572440433.db2.gz UXYAOOYGIFBLCK-LLVKDONJSA-N 0 0 195.306 2.278 10 0 AEAERN CC(C)(C)c1cc2c(o1)COCC2=O 76636010 572440497 /nfs/dbraw/zinc/44/04/97/572440497.db2.gz JJCHPULGIPCOFE-UHFFFAOYSA-N 0 0 194.230 2.290 10 0 AEAERN O=C1CCC[NH2+]C[C@H]1C1CCCCC1 76636666 572440561 /nfs/dbraw/zinc/44/05/61/572440561.db2.gz OUQKTPSOHQZGBI-NSHDSACASA-N 0 0 195.306 2.135 10 0 AEAERN COC(=O)[C@@H]1[C@H]2C=CCCCC[C@@H]12 22204162 572440911 /nfs/dbraw/zinc/44/09/11/572440911.db2.gz YCNGZUWLSYXBNX-IVZWLZJFSA-N 0 0 180.247 2.152 10 0 AEAERN CC(C)c1nc2c(o1)CSCC2=O 76637240 572441203 /nfs/dbraw/zinc/44/12/03/572441203.db2.gz WDQOUQCZMGNGCW-UHFFFAOYSA-N 0 0 197.259 2.228 10 0 AEAERN [NH3+]Cc1ccc(N2CCCCC2)s1 76637004 572441078 /nfs/dbraw/zinc/44/10/78/572441078.db2.gz BURJITAUZAUJTL-UHFFFAOYSA-N 0 0 196.319 2.197 10 0 AEAERN Nc1c[nH]c(-c2cc3cccnc3[nH]2)c1 74238219 572441121 /nfs/dbraw/zinc/44/11/21/572441121.db2.gz INDLSTLORAERPL-UHFFFAOYSA-N 0 0 198.229 2.140 10 0 AEAERN COC[C@H]1Nc2ccccc2C[C@H]1C 234737733 572441140 /nfs/dbraw/zinc/44/11/40/572441140.db2.gz QJVDMLXXVNAJLU-BXKDBHETSA-N 0 0 191.274 2.306 10 0 AEAERN Cc1sc2nc(C=O)sc2c1N 74237572 572441301 /nfs/dbraw/zinc/44/13/01/572441301.db2.gz MQOVOYXVSDHTLW-UHFFFAOYSA-N 0 0 198.272 2.061 10 0 AEAERN O[C@@H]1CCCCC[C@@H]1C[C@@H]1CCCO1 53338668 572441526 /nfs/dbraw/zinc/44/15/26/572441526.db2.gz KDZULYBFUVLLQS-GRYCIOLGSA-N 0 0 198.306 2.497 10 0 AEAERN Cc1ncc(-c2sncc2N)s1 74239096 572441555 /nfs/dbraw/zinc/44/15/55/572441555.db2.gz AYBXKTGXMVLYJW-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN Cc1nscc1-c1ncsc1N 74239105 572441666 /nfs/dbraw/zinc/44/16/66/572441666.db2.gz BQVVLDVLDNEISK-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN Cc1sc2sc(C=O)nc2c1N 74237565 572441755 /nfs/dbraw/zinc/44/17/55/572441755.db2.gz JMNAXOLJTPHDNT-UHFFFAOYSA-N 0 0 198.272 2.061 10 0 AEAERN O[C@@H]1CCCCC[C@H]1C[C@@H]1CCCO1 53338673 572442008 /nfs/dbraw/zinc/44/20/08/572442008.db2.gz KDZULYBFUVLLQS-SDDRHHMPSA-N 0 0 198.306 2.497 10 0 AEAERN Cc1nc(-c2nccs2)c(N)s1 74239102 572441829 /nfs/dbraw/zinc/44/18/29/572441829.db2.gz FBHXFKWCTCVDDM-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN CCC(=O)CCc1nc(C)cs1 87392024 572441834 /nfs/dbraw/zinc/44/18/34/572441834.db2.gz PXHWLFALGXOEMY-UHFFFAOYSA-N 0 0 183.276 2.363 10 0 AEAERN Cc1nc(-c2sncc2N)cs1 74239091 572441838 /nfs/dbraw/zinc/44/18/38/572441838.db2.gz MKUBQRDOYAAOSW-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN Cc1ccc(C)c(-c2cnc(N)cn2)c1 83891388 572441913 /nfs/dbraw/zinc/44/19/13/572441913.db2.gz TZZQGFKZUKBDEJ-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CCCC(=O)CCc1nccs1 87392015 572441920 /nfs/dbraw/zinc/44/19/20/572441920.db2.gz STQYCOLSOYWMEJ-UHFFFAOYSA-N 0 0 183.276 2.445 10 0 AEAERN Nc1cccc2[nH]c(-c3cn[nH]c3)cc12 74238199 572442074 /nfs/dbraw/zinc/44/20/74/572442074.db2.gz LNHJUPLFPOWYER-UHFFFAOYSA-N 0 0 198.229 2.140 10 0 AEAERN CCCCC[C@@H](C(C)=O)[C@@H](C)O 238240266 572442075 /nfs/dbraw/zinc/44/20/75/572442075.db2.gz YGSFTJKHBGWROR-PSASIEDQSA-N 0 0 172.268 2.153 10 0 AEAERN C[C@@H]1CC[C@H](O)[C@H](C[C@@H]2CCCO2)C1 53338716 572442245 /nfs/dbraw/zinc/44/22/45/572442245.db2.gz WURUJGBRODMVMF-RHYQMDGZSA-N 0 0 198.306 2.353 10 0 AEAERN Nc1c[nH]c(-c2cccc3[nH]cnc23)c1 74238215 572442286 /nfs/dbraw/zinc/44/22/86/572442286.db2.gz QEQOCNAJJUAODN-UHFFFAOYSA-N 0 0 198.229 2.140 10 0 AEAERN Cc1csc(CCC(=O)C2CC2)n1 87392160 572442184 /nfs/dbraw/zinc/44/21/84/572442184.db2.gz PIDPONAASQZFSY-UHFFFAOYSA-N 0 0 195.287 2.363 10 0 AEAERN Cc1c(N)sc2sc(C=O)nc12 74237568 572442376 /nfs/dbraw/zinc/44/23/76/572442376.db2.gz FJKZDYUZVCIQMG-UHFFFAOYSA-N 0 0 198.272 2.061 10 0 AEAERN O[C@H](C1CCCCC1)C1CCOCC1 68890778 572442800 /nfs/dbraw/zinc/44/28/00/572442800.db2.gz JWDXFMHCSCKPKE-GFCCVEGCSA-N 0 0 198.306 2.354 10 0 AEAERN CC(C)c1nc2c(s1)C[C@@H](O)CC2 74239047 572442379 /nfs/dbraw/zinc/44/23/79/572442379.db2.gz DCBCOSMZDCJCEN-ZETCQYMHSA-N 0 0 197.303 2.116 10 0 AEAERN Nc1ccc2cc(-c3ncc[nH]3)[nH]c2c1 74238201 572442434 /nfs/dbraw/zinc/44/24/34/572442434.db2.gz HBTFDNUVDVHXAR-UHFFFAOYSA-N 0 0 198.229 2.140 10 0 AEAERN O=C(CCc1nccs1)C1CC1 87392164 572442530 /nfs/dbraw/zinc/44/25/30/572442530.db2.gz STROYOUONPSJPH-UHFFFAOYSA-N 0 0 181.260 2.055 10 0 AEAERN CC[C@H](Cc1nccs1)C(C)=O 87392064 572442627 /nfs/dbraw/zinc/44/26/27/572442627.db2.gz GXCBCGVFIXYDFW-MRVPVSSYSA-N 0 0 183.276 2.301 10 0 AEAERN CC[C@@H](Cc1nccs1)C(C)=O 87392062 572442703 /nfs/dbraw/zinc/44/27/03/572442703.db2.gz GXCBCGVFIXYDFW-QMMMGPOBSA-N 0 0 183.276 2.301 10 0 AEAERN COC[C@H]1Nc2ccccc2C[C@@H]1C 234737691 572442756 /nfs/dbraw/zinc/44/27/56/572442756.db2.gz QJVDMLXXVNAJLU-JOYOIKCWSA-N 0 0 191.274 2.306 10 0 AEAERN Cc1csc(-c2ncsc2N)n1 74239100 572442761 /nfs/dbraw/zinc/44/27/61/572442761.db2.gz YBXJVUCACRLYSL-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN Nc1c[nH]c(-c2cc3ccncc3[nH]2)c1 76637494 572442770 /nfs/dbraw/zinc/44/27/70/572442770.db2.gz KPYZXCOJSVWLQN-UHFFFAOYSA-N 0 0 198.229 2.140 10 0 AEAERN Nc1c[nH]c(-c2c[nH]c3ncccc23)c1 74238214 572442884 /nfs/dbraw/zinc/44/28/84/572442884.db2.gz PKSZXOJFVNLLRL-UHFFFAOYSA-N 0 0 198.229 2.140 10 0 AEAERN O=C1CSCc2oc3c(c21)CCC3 76636078 572442910 /nfs/dbraw/zinc/44/29/10/572442910.db2.gz JQDWRUZZONAXSP-UHFFFAOYSA-N 0 0 194.255 2.198 10 0 AEAERN Nc1c[nH]c(-c2n[nH]c3ccccc23)c1 74238211 572443010 /nfs/dbraw/zinc/44/30/10/572443010.db2.gz HDBBAUSZZVHTOO-UHFFFAOYSA-N 0 0 198.229 2.140 10 0 AEAERN Nc1c[nH]c(-c2ccc3[nH]cnc3c2)c1 74238218 572443046 /nfs/dbraw/zinc/44/30/46/572443046.db2.gz JVDPRAPTJMOKCF-UHFFFAOYSA-N 0 0 198.229 2.140 10 0 AEAERN CCCC(=O)[C@@H](CC)CC(C)=O 238240928 572443050 /nfs/dbraw/zinc/44/30/50/572443050.db2.gz HWHOILMIXCLXEL-VIFPVBQESA-N 0 0 170.252 2.361 10 0 AEAERN CC(C)[C@H](Cc1nccs1)[C@@H](C)O 87395907 572444959 /nfs/dbraw/zinc/44/49/59/572444959.db2.gz PBKNRLMXHPKGIA-BDAKNGLRSA-N 0 0 199.319 2.339 10 0 AEAERN Cc1cnsc1-c1ncsc1N 74239103 572443069 /nfs/dbraw/zinc/44/30/69/572443069.db2.gz BBPGXQILBUWPRB-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN Cc1cc(NC2CCSCC2)no1 76637631 572443174 /nfs/dbraw/zinc/44/31/74/572443174.db2.gz LQOLGTACSAOIQV-UHFFFAOYSA-N 0 0 198.291 2.291 10 0 AEAERN CCCC(=O)[C@@H](CC)COCC 238241024 572443329 /nfs/dbraw/zinc/44/33/29/572443329.db2.gz JFKGUVQZWFRJNL-VIFPVBQESA-N 0 0 172.268 2.418 10 0 AEAERN Nc1c[nH]cc1-c1cc2c[nH]ccc-2n1 76637496 572443355 /nfs/dbraw/zinc/44/33/55/572443355.db2.gz AYJWPKORPJQEOQ-UHFFFAOYSA-N 0 0 198.229 2.140 10 0 AEAERN Cc1cc(N[C@H]2CCCSC2)no1 76637635 572443384 /nfs/dbraw/zinc/44/33/84/572443384.db2.gz GRNYROVICNPINP-QMMMGPOBSA-N 0 0 198.291 2.291 10 0 AEAERN CC(C)C(=O)CCc1nccs1 87392037 572443489 /nfs/dbraw/zinc/44/34/89/572443489.db2.gz AMKHGVNEBKXSIJ-UHFFFAOYSA-N 0 0 183.276 2.301 10 0 AEAERN CCCC(=O)[C@@H](CC)[C@H](O)CC 238241226 572443523 /nfs/dbraw/zinc/44/35/23/572443523.db2.gz WLBAPZUFCZHXPN-DTWKUNHWSA-N 0 0 172.268 2.153 10 0 AEAERN Cc1cc2c(cc1F)N(C)[C@@H](C)CN2 76636073 572445399 /nfs/dbraw/zinc/44/53/99/572445399.db2.gz UNNDHMHUDIKQQU-QMMMGPOBSA-N 0 0 194.253 2.384 10 0 AEAERN CC(C)CC[C@@H]1CCCN(C)CC1=O 76637405 572443552 /nfs/dbraw/zinc/44/35/52/572443552.db2.gz XKIFXGJHSJOIDW-NSHDSACASA-N 0 0 197.322 2.334 10 0 AEAERN Nc1c[nH]c(-c2cc3c[nH]ccc-3n2)c1 76637498 572443578 /nfs/dbraw/zinc/44/35/78/572443578.db2.gz GEFFZUYWPHGFMF-UHFFFAOYSA-N 0 0 198.229 2.140 10 0 AEAERN CN1CCC(/C=C\c2cccs2)=N1 33384934 572443594 /nfs/dbraw/zinc/44/35/94/572443594.db2.gz YGURVARSHXBYQV-PLNGDYQASA-N 0 0 192.287 2.453 10 0 AEAERN Cc1nnsc1-c1sccc1N 74239094 572443689 /nfs/dbraw/zinc/44/36/89/572443689.db2.gz XHMCVDMSFGXIGI-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN CC(C)c1nsc2c1CC[C@@H](O)C2 74239042 572443696 /nfs/dbraw/zinc/44/36/96/572443696.db2.gz CMBRDBVTIMPIQL-SSDOTTSWSA-N 0 0 197.303 2.116 10 0 AEAERN CCCCC[C@@H](C(C)=O)[C@H](C)O 238240324 572443809 /nfs/dbraw/zinc/44/38/09/572443809.db2.gz YGSFTJKHBGWROR-WCBMZHEXSA-N 0 0 172.268 2.153 10 0 AEAERN CC(C)c1nc2c(s1)C[C@H](O)CC2 74239045 572443823 /nfs/dbraw/zinc/44/38/23/572443823.db2.gz DCBCOSMZDCJCEN-SSDOTTSWSA-N 0 0 197.303 2.116 10 0 AEAERN Cc1scnc1-c1sncc1N 74239092 572443834 /nfs/dbraw/zinc/44/38/34/572443834.db2.gz KTEMKVFKPDMCQJ-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN Cc1cc2c(cc1F)N(C)[C@H](C)CN2 76636071 572443853 /nfs/dbraw/zinc/44/38/53/572443853.db2.gz UNNDHMHUDIKQQU-MRVPVSSYSA-N 0 0 194.253 2.384 10 0 AEAERN Nc1c[nH]c(-c2nc3ccccc3[nH]2)c1 74238222 572443886 /nfs/dbraw/zinc/44/38/86/572443886.db2.gz HRKSLGZUDKAMJV-UHFFFAOYSA-N 0 0 198.229 2.140 10 0 AEAERN Nc1cc[nH]c1-c1cccc2[nH]cnc12 74238208 572443892 /nfs/dbraw/zinc/44/38/92/572443892.db2.gz UXTLPHZPYBBCBB-UHFFFAOYSA-N 0 0 198.229 2.140 10 0 AEAERN CO[C@@H](C)[C@](C)(O)C1=CCCCC1 234738575 572443971 /nfs/dbraw/zinc/44/39/71/572443971.db2.gz WSWSWBWCBDEPMB-ONGXEEELSA-N 0 0 184.279 2.273 10 0 AEAERN Cc1cc(N[C@@H]2CCCSC2)no1 76637633 572443991 /nfs/dbraw/zinc/44/39/91/572443991.db2.gz GRNYROVICNPINP-MRVPVSSYSA-N 0 0 198.291 2.291 10 0 AEAERN C/C=C\[C@H](O)COCc1ccccc1 90373202 572444132 /nfs/dbraw/zinc/44/41/32/572444132.db2.gz VGJQTCINOXITIK-DWMUBGRBSA-N 0 0 192.258 2.140 10 0 AEAERN C/C=C/C(=O)N[C@H](CC)C(C)C 88423865 572444183 /nfs/dbraw/zinc/44/41/83/572444183.db2.gz MYCCQLGNIJESFW-VPIOIWJLSA-N 0 0 169.268 2.113 10 0 AEAERN CC(C)C[C@@H](O)c1ccoc1 68890728 572444248 /nfs/dbraw/zinc/44/42/48/572444248.db2.gz COBXNGBQEPUREU-SECBINFHSA-N 0 0 154.209 2.359 10 0 AEAERN CC(C)c1nc2ccccc2n1C#N 44550828 572444430 /nfs/dbraw/zinc/44/44/30/572444430.db2.gz AVVCWWRIZJFETN-UHFFFAOYSA-N 0 0 185.230 2.489 10 0 AEAERN CCN1CCO/C(=C/Cl)C1(C)C 238240902 572444502 /nfs/dbraw/zinc/44/45/02/572444502.db2.gz HLSGLFCPZKJBJV-BQYQJAHWSA-N 0 0 189.686 2.197 10 0 AEAERN CC[C@H](Cc1nccs1)[C@@H](C)O 87395797 572444524 /nfs/dbraw/zinc/44/45/24/572444524.db2.gz FVRUSFZOXPLLHV-HTQZYQBOSA-N 0 0 185.292 2.093 10 0 AEAERN CC[C@H](O)CCc1nc(C)cs1 87395828 572444672 /nfs/dbraw/zinc/44/46/72/572444672.db2.gz HPJKEJAZDKHVSO-QMMMGPOBSA-N 0 0 185.292 2.155 10 0 AEAERN Cc1ccc(-c2snnc2N)s1 74239119 572444717 /nfs/dbraw/zinc/44/47/17/572444717.db2.gz JTALTKVXCZOXOA-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN Cc1csc(CC[C@@H](O)C(C)C)n1 87395837 572444724 /nfs/dbraw/zinc/44/47/24/572444724.db2.gz QRYVLTAEOJRYGO-SECBINFHSA-N 0 0 199.319 2.401 10 0 AEAERN O[C@@H](C1CCCCC1)C1CCOCC1 68890777 572444737 /nfs/dbraw/zinc/44/47/37/572444737.db2.gz JWDXFMHCSCKPKE-LBPRGKRZSA-N 0 0 198.306 2.354 10 0 AEAERN CCC[C@@H](O)c1ccoc1 68890722 572444837 /nfs/dbraw/zinc/44/48/37/572444837.db2.gz ZZIWAJQFLHAJQK-MRVPVSSYSA-N 0 0 140.182 2.113 10 0 AEAERN CC(C)OCCC[C@@](C)(O)C(F)F 689636007 572444878 /nfs/dbraw/zinc/44/48/78/572444878.db2.gz ZKWBEQHCPQCKLQ-SECBINFHSA-N 0 0 196.237 2.208 10 0 AEAERN NC(=S)CC1(COC2CCC2)CC1 83855625 572444930 /nfs/dbraw/zinc/44/49/30/572444930.db2.gz OPLFLLXIRJMYOK-UHFFFAOYSA-N 0 0 199.319 2.012 10 0 AEAERN CC[C@H](Cc1nc(C)cs1)[C@@H](C)O 87395805 572444932 /nfs/dbraw/zinc/44/49/32/572444932.db2.gz GYBROXCKLHKDGY-RKDXNWHRSA-N 0 0 199.319 2.401 10 0 AEAERN Cc1csc(CC[C@H](O)C2CC2)n1 87395920 572444962 /nfs/dbraw/zinc/44/49/62/572444962.db2.gz ROEWDIIJBAVNQE-VIFPVBQESA-N 0 0 197.303 2.155 10 0 AEAERN CCCCOc1ccncc1C=O 238240840 572444983 /nfs/dbraw/zinc/44/49/83/572444983.db2.gz XOHVURDUXXBOIE-UHFFFAOYSA-N 0 0 179.219 2.073 10 0 AEAERN Cc1cc(NC2CCSCC2)n[nH]1 76637377 572444998 /nfs/dbraw/zinc/44/49/98/572444998.db2.gz CWYXPDNKJSIMAZ-UHFFFAOYSA-N 0 0 197.307 2.026 10 0 AEAERN CC[C@H](O)[C@@H](C)Cc1nc(C)cs1 87395934 572445001 /nfs/dbraw/zinc/44/50/01/572445001.db2.gz RSHZCCOOWBZRFI-CBAPKCEASA-N 0 0 199.319 2.401 10 0 AEAERN CC(C)[C@@H](Cc1nccs1)[C@H](C)O 87395908 572445023 /nfs/dbraw/zinc/44/50/23/572445023.db2.gz PBKNRLMXHPKGIA-DTWKUNHWSA-N 0 0 199.319 2.339 10 0 AEAERN CC(=O)CC(C)C 114438252 572445026 /nfs/dbraw/zinc/44/50/26/572445026.db2.gz CIRMKJJAVZRHND-XQRVVYSFSA-N 0 0 100.161 2.104 10 0 AEAERN CC[C@H](O)[C@H](C)Cc1nccs1 87395928 572445151 /nfs/dbraw/zinc/44/51/51/572445151.db2.gz RPHYXEDRIMMTAQ-SFYZADRCSA-N 0 0 185.292 2.093 10 0 AEAERN CC(C)(C)[C@H](O)CCc1nccs1 87395818 572445309 /nfs/dbraw/zinc/44/53/09/572445309.db2.gz RZFGEZNGAZBLGD-MRVPVSSYSA-N 0 0 199.319 2.483 10 0 AEAERN CCCC(=O)[C@@H](CC)[C@@H](O)CC 238241166 572445319 /nfs/dbraw/zinc/44/53/19/572445319.db2.gz WLBAPZUFCZHXPN-IUCAKERBSA-N 0 0 172.268 2.153 10 0 AEAERN CC(C)OCCC[C@](C)(O)C(F)F 689636008 572445347 /nfs/dbraw/zinc/44/53/47/572445347.db2.gz ZKWBEQHCPQCKLQ-VIFPVBQESA-N 0 0 196.237 2.208 10 0 AEAERN O=C([O-])CCCCC[NH2+]CCC1CC1 83894676 572445533 /nfs/dbraw/zinc/44/55/33/572445533.db2.gz IRXBVWXKFUFWPR-UHFFFAOYSA-N 0 0 199.294 2.021 10 0 AEAERN CC[C@H](Cc1nccs1)[C@H](C)O 87395799 572445467 /nfs/dbraw/zinc/44/54/67/572445467.db2.gz FVRUSFZOXPLLHV-JGVFFNPUSA-N 0 0 185.292 2.093 10 0 AEAERN CC(C)CC[C@H]1CCCN(C)CC1=O 76637407 572445528 /nfs/dbraw/zinc/44/55/28/572445528.db2.gz XKIFXGJHSJOIDW-LLVKDONJSA-N 0 0 197.322 2.334 10 0 AEAERN CC[C@@H](O)[C@@H](C)Cc1nccs1 87395927 572445546 /nfs/dbraw/zinc/44/55/46/572445546.db2.gz RPHYXEDRIMMTAQ-JGVFFNPUSA-N 0 0 185.292 2.093 10 0 AEAERN CC(C)C[C@H](O)c1ccoc1 68890727 572445557 /nfs/dbraw/zinc/44/55/57/572445557.db2.gz COBXNGBQEPUREU-VIFPVBQESA-N 0 0 154.209 2.359 10 0 AEAERN C/C=C/C(=O)N(C)CCC(C)C 83860783 572445562 /nfs/dbraw/zinc/44/55/62/572445562.db2.gz BCLYQACXSXEISH-AATRIKPKSA-N 0 0 169.268 2.067 10 0 AEAERN CC[C@@H](Cc1nc(C)cs1)[C@H](C)O 87395806 572445564 /nfs/dbraw/zinc/44/55/64/572445564.db2.gz GYBROXCKLHKDGY-IUCAKERBSA-N 0 0 199.319 2.401 10 0 AEAERN CCCOCOc1ccc(C=O)cc1 238241145 572445662 /nfs/dbraw/zinc/44/56/62/572445662.db2.gz ARLIGGCBXBHHPJ-UHFFFAOYSA-N 0 0 194.230 2.262 10 0 AEAERN CC[C@H](O)[C@H](C)Cc1nc(C)cs1 87395936 572445664 /nfs/dbraw/zinc/44/56/64/572445664.db2.gz RSHZCCOOWBZRFI-APPZFPTMSA-N 0 0 199.319 2.401 10 0 AEAERN Cc1cc(-c2ncsc2N)sn1 74239107 572445855 /nfs/dbraw/zinc/44/58/55/572445855.db2.gz QRSFXDVOZUXGNT-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN CCC[C@@H](O)CCc1nccs1 87395811 572445866 /nfs/dbraw/zinc/44/58/66/572445866.db2.gz QKVMTAZJERFJQO-MRVPVSSYSA-N 0 0 185.292 2.237 10 0 AEAERN CONC[C@H]1CC(C)=C[C@@H](C)C1 234739402 572445808 /nfs/dbraw/zinc/44/58/08/572445808.db2.gz XJLBRCHWYVYGGE-PSASIEDQSA-N 0 0 169.268 2.130 10 0 AEAERN O=Cc1cnoc1-c1ccc(Cl)o1 74238708 572445819 /nfs/dbraw/zinc/44/58/19/572445819.db2.gz RRMKOYPPGFQYAI-UHFFFAOYSA-N 0 0 197.577 2.401 10 0 AEAERN CC[C@@H](Cc1nccs1)[C@H](C)O 87395798 572445821 /nfs/dbraw/zinc/44/58/21/572445821.db2.gz FVRUSFZOXPLLHV-YUMQZZPRSA-N 0 0 185.292 2.093 10 0 AEAERN CCCCC[C@H]1CCCO[C@@H]1O 238241370 572446036 /nfs/dbraw/zinc/44/60/36/572446036.db2.gz GOBQPHUOOFTXKC-UWVGGRQHSA-N 0 0 172.268 2.312 10 0 AEAERN Nc1c[nH]nc1-c1cc(Cl)cs1 74214297 572446073 /nfs/dbraw/zinc/44/60/73/572446073.db2.gz PAXKNATZADAIKS-UHFFFAOYSA-N 0 0 199.666 2.374 10 0 AEAERN Cc1nc(-c2cc(N)sn2)cs1 74239114 572446086 /nfs/dbraw/zinc/44/60/86/572446086.db2.gz LKQUPPSVEVRBEU-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN Cc1nc(-c2ccns2)sc1N 74239132 572446092 /nfs/dbraw/zinc/44/60/92/572446092.db2.gz KRFUILHRCLLBEA-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN CC[C@@H](Cc1nc(C)cs1)[C@@H](C)O 87395804 572446179 /nfs/dbraw/zinc/44/61/79/572446179.db2.gz GYBROXCKLHKDGY-BDAKNGLRSA-N 0 0 199.319 2.401 10 0 AEAERN Cc1ncc(-c2cc(N)sn2)s1 74239117 572446184 /nfs/dbraw/zinc/44/61/84/572446184.db2.gz JCRZOFIPRXSZSZ-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN CCCC(=O)[C@@H](C)[C@@H](C)OCC 238240790 572446230 /nfs/dbraw/zinc/44/62/30/572446230.db2.gz WHXIOBZQTCMRER-DTWKUNHWSA-N 0 0 172.268 2.417 10 0 AEAERN CC[C@H](O)[C@@H](C)Cc1nccs1 87395926 572446301 /nfs/dbraw/zinc/44/63/01/572446301.db2.gz RPHYXEDRIMMTAQ-YUMQZZPRSA-N 0 0 185.292 2.093 10 0 AEAERN CC[C@@H](O)[C@H](C)Cc1nccs1 87395929 572446341 /nfs/dbraw/zinc/44/63/41/572446341.db2.gz RPHYXEDRIMMTAQ-HTQZYQBOSA-N 0 0 185.292 2.093 10 0 AEAERN CC(C)[C@H](O)CCc1nccs1 87395832 572446377 /nfs/dbraw/zinc/44/63/77/572446377.db2.gz NUGMASVHAMVBRA-MRVPVSSYSA-N 0 0 185.292 2.093 10 0 AEAERN Cc1csc(CC[C@H](O)C(C)C)n1 87395836 572446381 /nfs/dbraw/zinc/44/63/81/572446381.db2.gz QRYVLTAEOJRYGO-VIFPVBQESA-N 0 0 199.319 2.401 10 0 AEAERN CC[C@H](Cc1nc(C)cs1)[C@H](C)O 87395807 572446472 /nfs/dbraw/zinc/44/64/72/572446472.db2.gz GYBROXCKLHKDGY-DTWKUNHWSA-N 0 0 199.319 2.401 10 0 AEAERN CC(C)[C@@H](O)CCc1nccs1 87395833 572446475 /nfs/dbraw/zinc/44/64/75/572446475.db2.gz NUGMASVHAMVBRA-QMMMGPOBSA-N 0 0 185.292 2.093 10 0 AEAERN CCCCC[C@H]1CCCO[C@H]1O 238241389 572446493 /nfs/dbraw/zinc/44/64/93/572446493.db2.gz GOBQPHUOOFTXKC-VHSXEESVSA-N 0 0 172.268 2.312 10 0 AEAERN CONC[C@H]1CC(C)=C[C@H](C)C1 234739359 572446519 /nfs/dbraw/zinc/44/65/19/572446519.db2.gz XJLBRCHWYVYGGE-WCBMZHEXSA-N 0 0 169.268 2.130 10 0 AEAERN CC[C@@H](Cc1nccs1)[C@@H](C)O 87395796 572446568 /nfs/dbraw/zinc/44/65/68/572446568.db2.gz FVRUSFZOXPLLHV-SFYZADRCSA-N 0 0 185.292 2.093 10 0 AEAERN CC(C)[C@H](Cc1nccs1)[C@H](C)O 87395909 572446592 /nfs/dbraw/zinc/44/65/92/572446592.db2.gz PBKNRLMXHPKGIA-IUCAKERBSA-N 0 0 199.319 2.339 10 0 AEAERN CC[C@H](O)CCc1nc(C)c(C)s1 87395822 572446624 /nfs/dbraw/zinc/44/66/24/572446624.db2.gz XPVMDMGZCXFWND-VIFPVBQESA-N 0 0 199.319 2.463 10 0 AEAERN CCCCC1=NO[C@@H](C(C)C)N1 238241977 572446744 /nfs/dbraw/zinc/44/67/44/572446744.db2.gz XRFITPHFGFAJLQ-VIFPVBQESA-N 0 0 170.256 2.092 10 0 AEAERN CC(C)OCCC[C@]1(O)CC[C@@H]2C[C@@H]21 689635947 572446751 /nfs/dbraw/zinc/44/67/51/572446751.db2.gz YTURPKIIRQNKTB-WOPDTQHZSA-N 0 0 198.306 2.353 10 0 AEAERN CCC[C@H](O)CCc1nccs1 87395810 572446773 /nfs/dbraw/zinc/44/67/73/572446773.db2.gz QKVMTAZJERFJQO-QMMMGPOBSA-N 0 0 185.292 2.237 10 0 AEAERN Nc1c(Cl)n[nH]c1-c1cccs1 74214298 572446798 /nfs/dbraw/zinc/44/67/98/572446798.db2.gz XPFMTYXYJYKMPG-UHFFFAOYSA-N 0 0 199.666 2.374 10 0 AEAERN O[C@@H](CCC1CC1)Cc1ccccn1 83936261 572446799 /nfs/dbraw/zinc/44/67/99/572446799.db2.gz CSGMTSVJLAGNSC-LBPRGKRZSA-N 0 0 191.274 2.175 10 0 AEAERN CC(C)(C)Cc1[nH]c(=S)ncc1N 74238943 572448642 /nfs/dbraw/zinc/44/86/42/572448642.db2.gz OASOZUZCEZCDFW-UHFFFAOYSA-N 0 0 197.307 2.310 10 0 AEAERN CC(C)(C)[C@@H](O)CCc1nccs1 87395819 572446834 /nfs/dbraw/zinc/44/68/34/572446834.db2.gz RZFGEZNGAZBLGD-QMMMGPOBSA-N 0 0 199.319 2.483 10 0 AEAERN CC(C)OCCCC1(O)CCCC1 689635968 572446840 /nfs/dbraw/zinc/44/68/40/572446840.db2.gz ZDEKTOCHRSKABE-UHFFFAOYSA-N 0 0 186.295 2.497 10 0 AEAERN Cc1csc(CC[C@@H](O)C2CC2)n1 87395921 572446983 /nfs/dbraw/zinc/44/69/83/572446983.db2.gz ROEWDIIJBAVNQE-SECBINFHSA-N 0 0 197.303 2.155 10 0 AEAERN CC[C@@H](O)[C@H](C)Cc1nc(C)cs1 87395937 572447010 /nfs/dbraw/zinc/44/70/10/572447010.db2.gz RSHZCCOOWBZRFI-VXNVDRBHSA-N 0 0 199.319 2.401 10 0 AEAERN CC(C)OCCC[C@]1(O)CC[C@H]2C[C@H]21 689635943 572447157 /nfs/dbraw/zinc/44/71/57/572447157.db2.gz YTURPKIIRQNKTB-TUAOUCFPSA-N 0 0 198.306 2.353 10 0 AEAERN O[C@@H](CCC1CC1)C[C@@H]1CCCO1 83936249 572447198 /nfs/dbraw/zinc/44/71/98/572447198.db2.gz LDDDEHBECXPDMJ-QWRGUYRKSA-N 0 0 184.279 2.107 10 0 AEAERN O[C@H](CCC1CC1)c1ccncc1 83936202 572449022 /nfs/dbraw/zinc/44/90/22/572449022.db2.gz NOBOXDVWWKYRQF-LLVKDONJSA-N 0 0 177.247 2.305 10 0 AEAERN Cc1scnc1-c1cc(N)sn1 74239111 572447367 /nfs/dbraw/zinc/44/73/67/572447367.db2.gz YOAUOZONZHYULG-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN CC(C)(C)SCC(=O)C1CC1 68906138 572447402 /nfs/dbraw/zinc/44/74/02/572447402.db2.gz DNHNKMHWNYWKEI-UHFFFAOYSA-N 0 0 172.293 2.497 10 0 AEAERN C[C@H]1CCC[C@@H](C)[N@@H+]1CC(=O)C1CC1 68894195 572447409 /nfs/dbraw/zinc/44/74/09/572447409.db2.gz SNQSMQIKUGNNKR-AOOOYVTPSA-N 0 0 195.306 2.228 10 0 AEAERN O[C@H](CCC1CC1)c1ccccn1 83936193 572447424 /nfs/dbraw/zinc/44/74/24/572447424.db2.gz GVPTXQBFXMEDLN-LLVKDONJSA-N 0 0 177.247 2.305 10 0 AEAERN CC(C)(C)C[C@]1(C)CC[C@H](C(=O)[O-])[NH2+]1 76637864 572447444 /nfs/dbraw/zinc/44/74/44/572447444.db2.gz WXMGBUQJSVRCEE-KCJUWKMLSA-N 0 0 199.294 2.018 10 0 AEAERN CC(C)c1nc2n(c1C=O)CCCC2 107179784 572447453 /nfs/dbraw/zinc/44/74/53/572447453.db2.gz URWQPXWPIZQLSJ-UHFFFAOYSA-N 0 0 192.262 2.155 10 0 AEAERN CC(C)SCC(=O)C1CC1 68906622 572447483 /nfs/dbraw/zinc/44/74/83/572447483.db2.gz BFXYMBCAHUKNQM-UHFFFAOYSA-N 0 0 158.266 2.107 10 0 AEAERN CC[C@H](C)C[C@H](C)N1CCC(=O)C1 83865051 572449388 /nfs/dbraw/zinc/44/93/88/572449388.db2.gz SFKDFMDZYNPXRZ-UWVGGRQHSA-N 0 0 183.295 2.086 10 0 AEAERN O[C@@H](CCC1CC1)C[C@H]1CCCO1 83936246 572447542 /nfs/dbraw/zinc/44/75/42/572447542.db2.gz LDDDEHBECXPDMJ-WDEREUQCSA-N 0 0 184.279 2.107 10 0 AEAERN CC[C@@H](O)CCc1nc(C)c(C)s1 87395823 572447568 /nfs/dbraw/zinc/44/75/68/572447568.db2.gz XPVMDMGZCXFWND-SECBINFHSA-N 0 0 199.319 2.463 10 0 AEAERN CCCCC[C@@H]1O[C@H](O)C[C@H]1C 308027223 572447594 /nfs/dbraw/zinc/44/75/94/572447594.db2.gz XPMYVWDEZUCUKQ-UTLUCORTSA-N 0 0 172.268 2.310 10 0 AEAERN CC[C@@H](O)CCc1nc(C)cs1 87395829 572447639 /nfs/dbraw/zinc/44/76/39/572447639.db2.gz HPJKEJAZDKHVSO-MRVPVSSYSA-N 0 0 185.292 2.155 10 0 AEAERN CCCCC1=NO[C@H](C(C)C)N1 238241992 572447685 /nfs/dbraw/zinc/44/76/85/572447685.db2.gz XRFITPHFGFAJLQ-SECBINFHSA-N 0 0 170.256 2.092 10 0 AEAERN CC[C@H](C)C[C@@H](C)N1CCC(=O)C1 83865049 572447716 /nfs/dbraw/zinc/44/77/16/572447716.db2.gz SFKDFMDZYNPXRZ-VHSXEESVSA-N 0 0 183.295 2.086 10 0 AEAERN O[C@@H](CCC1CC1)CC(F)(F)F 83936351 572447799 /nfs/dbraw/zinc/44/77/99/572447799.db2.gz SYBLSNLEKDJVLS-ZETCQYMHSA-N 0 0 182.185 2.490 10 0 AEAERN CC[C@@H](O)[C@@H](C)Cc1nc(C)cs1 87395935 572447828 /nfs/dbraw/zinc/44/78/28/572447828.db2.gz RSHZCCOOWBZRFI-IONNQARKSA-N 0 0 199.319 2.401 10 0 AEAERN O[C@H](CCC1CC1)C[C@@H]1CCCO1 83936244 572447892 /nfs/dbraw/zinc/44/78/92/572447892.db2.gz LDDDEHBECXPDMJ-MNOVXSKESA-N 0 0 184.279 2.107 10 0 AEAERN CC(C)[C@@H](Cc1nccs1)[C@@H](C)O 87395906 572447940 /nfs/dbraw/zinc/44/79/40/572447940.db2.gz PBKNRLMXHPKGIA-RKDXNWHRSA-N 0 0 199.319 2.339 10 0 AEAERN CC[C@@H](C)C[C@H](C)N1CCC(=O)C1 83865050 572448029 /nfs/dbraw/zinc/44/80/29/572448029.db2.gz SFKDFMDZYNPXRZ-ZJUUUORDSA-N 0 0 183.295 2.086 10 0 AEAERN CCCCC[C@H]1CCC[C@@H](CO)O1 238241445 572448152 /nfs/dbraw/zinc/44/81/52/572448152.db2.gz SDBDOUXTSPMGGF-QWRGUYRKSA-N 0 0 186.295 2.497 10 0 AEAERN OSc1ccc(F)cc1 117201136 572448188 /nfs/dbraw/zinc/44/81/88/572448188.db2.gz AECUKPDNNJBICN-UHFFFAOYSA-N 0 0 144.170 2.391 10 0 AEAERN 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PRDLLCMCJAYWAO-UHFFFAOYSA-N 0 0 192.262 2.151 10 0 AEAERN C=CS(=O)(=O)[C@H]1CCC[C@H](C)C1 61844233 572457210 /nfs/dbraw/zinc/45/72/10/572457210.db2.gz GMBFRXAPPOEYQU-IUCAKERBSA-N 0 0 188.292 2.123 10 0 AEAERN CSc1ccc(-c2ccc[nH]2)nn1 196782725 572457234 /nfs/dbraw/zinc/45/72/34/572457234.db2.gz FVUFHNRBVROPRZ-UHFFFAOYSA-N 0 0 191.259 2.194 10 0 AEAERN C[C@@H]1CNC(=S)c2ccccc2C1 196790192 572457246 /nfs/dbraw/zinc/45/72/46/572457246.db2.gz OWLKFIPLARZTGA-QMMMGPOBSA-N 0 0 191.299 2.144 10 0 AEAERN NN1CCCCC[C@@H]1CC(F)(F)F 74242356 572457277 /nfs/dbraw/zinc/45/72/77/572457277.db2.gz CLGYBCUPWBIFJC-SSDOTTSWSA-N 0 0 196.216 2.057 10 0 AEAERN C[C@@H]1CNC(=S)c2ccccc21 196790117 572457284 /nfs/dbraw/zinc/45/72/84/572457284.db2.gz RZZBEOUHKLNHBZ-SSDOTTSWSA-N 0 0 177.272 2.069 10 0 AEAERN CCOc1ccccc1C/C=C/CO 238255345 572457312 /nfs/dbraw/zinc/45/73/12/572457312.db2.gz RSWPQCBCHYSRDB-AATRIKPKSA-N 0 0 192.258 2.176 10 0 AEAERN Nc1c(CC2CCCCC2)o[nH]c1=O 74242131 572457368 /nfs/dbraw/zinc/45/73/68/572457368.db2.gz PDNYGEQRSRRNNI-UHFFFAOYSA-N 0 0 196.250 2.085 10 0 AEAERN Cc1cnn(CCC(C)(C)C)c1N 61839618 572457480 /nfs/dbraw/zinc/45/74/80/572457480.db2.gz OFCYDWSMFVWXBU-UHFFFAOYSA-N 0 0 181.283 2.210 10 0 AEAERN CC[C@H](C)[C@](C)(O)C1CCOCC1 68956095 572457488 /nfs/dbraw/zinc/45/74/88/572457488.db2.gz MWOVTFXRPZRTFG-ONGXEEELSA-N 0 0 186.295 2.210 10 0 AEAERN NN1CCCCC[C@H]1CC(F)(F)F 74242357 572457499 /nfs/dbraw/zinc/45/74/99/572457499.db2.gz CLGYBCUPWBIFJC-ZETCQYMHSA-N 0 0 196.216 2.057 10 0 AEAERN O=C1O[C@@H]2CCCC[C@@H]2n2cccc21 196797146 572457524 /nfs/dbraw/zinc/45/75/24/572457524.db2.gz OEOMRDQKDYIJPX-WCBMZHEXSA-N 0 0 191.230 2.142 10 0 AEAERN CC[C@@H](C)[C@](C)(O)C1CCOCC1 68956092 572457528 /nfs/dbraw/zinc/45/75/28/572457528.db2.gz MWOVTFXRPZRTFG-KOLCDFICSA-N 0 0 186.295 2.210 10 0 AEAERN C[C@@H]1CCc2ccccc2C(=S)N1 196790155 572457643 /nfs/dbraw/zinc/45/76/43/572457643.db2.gz IEYIBNPXWFKXQC-MRVPVSSYSA-N 0 0 191.299 2.286 10 0 AEAERN 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/nfs/dbraw/zinc/46/59/96/572465996.db2.gz OWKJZEPCGULMAV-ZCFIWIBFSA-N 0 0 170.174 2.346 10 0 AEAERN Cc1csc(C[C@H](C)C[C@H](C)O)n1 87397805 572466012 /nfs/dbraw/zinc/46/60/12/572466012.db2.gz NQEWMZMUZQXHPA-APPZFPTMSA-N 0 0 199.319 2.401 10 0 AEAERN CCCC[C@]1(CC)OCCC1=O 238256123 572466018 /nfs/dbraw/zinc/46/60/18/572466018.db2.gz YYRPHVSXJHGQFT-JTQLQIEISA-N 0 0 170.252 2.315 10 0 AEAERN CCC(O)(CC)Cc1ccccn1 83950603 572466026 /nfs/dbraw/zinc/46/60/26/572466026.db2.gz AQUANZNWSDXOQP-UHFFFAOYSA-N 0 0 179.263 2.175 10 0 AEAERN Cc1nc(CCCCO)sc1C 87397749 572466040 /nfs/dbraw/zinc/46/60/40/572466040.db2.gz GUECVYIKQYLQML-UHFFFAOYSA-N 0 0 185.292 2.075 10 0 AEAERN CC[C@@H](C)[C@](C)(O)Cc1ccccn1 83950615 572466063 /nfs/dbraw/zinc/46/60/63/572466063.db2.gz XUCGNKALGGSDOF-ZYHUDNBSSA-N 0 0 193.290 2.421 10 0 AEAERN CC[C@H](C)[C@@](C)(O)Cc1ccncc1 83950622 572466067 /nfs/dbraw/zinc/46/60/67/572466067.db2.gz GFTDWZBDJJVCTE-JQWIXIFHSA-N 0 0 193.290 2.421 10 0 AEAERN CC[C@@H](C)[C@](C)(O)Cc1ccncc1 83950619 572466100 /nfs/dbraw/zinc/46/61/00/572466100.db2.gz GFTDWZBDJJVCTE-ZYHUDNBSSA-N 0 0 193.290 2.421 10 0 AEAERN CCC(CC)[C@@H](O)Cc1ccccn1 83950713 572466144 /nfs/dbraw/zinc/46/61/44/572466144.db2.gz YDOWQAVCMQZNOQ-LBPRGKRZSA-N 0 0 193.290 2.421 10 0 AEAERN O[C@H](CC1CCCC1)C(F)(F)F 61893871 572466158 /nfs/dbraw/zinc/46/61/58/572466158.db2.gz GCOOFJUSEUHJKO-SSDOTTSWSA-N 0 0 182.185 2.490 10 0 AEAERN CC[C@H](C)[C@@](C)(O)Cc1ccccn1 83950618 572466169 /nfs/dbraw/zinc/46/61/69/572466169.db2.gz XUCGNKALGGSDOF-JQWIXIFHSA-N 0 0 193.290 2.421 10 0 AEAERN CC(C)C[C@H](CO)Cc1nccs1 87398477 572466172 /nfs/dbraw/zinc/46/61/72/572466172.db2.gz VGKOABVKOWJZDV-VIFPVBQESA-N 0 0 199.319 2.340 10 0 AEAERN C=C=CCC[C@H]1CC(OCC)=C[C@@H]1O 238254919 572466190 /nfs/dbraw/zinc/46/61/90/572466190.db2.gz NANJLJLKXKGPHW-JQWIXIFHSA-N 0 0 194.274 2.409 10 0 AEAERN CC(C)n1c(N)c(C2CCC2)[nH]c1=O 74244087 572466256 /nfs/dbraw/zinc/46/62/56/572466256.db2.gz WKKNAMMLUKCELL-UHFFFAOYSA-N 0 0 195.266 2.019 10 0 AEAERN CCC[C@H](CO)Cc1nccs1 87398483 572466269 /nfs/dbraw/zinc/46/62/69/572466269.db2.gz MAXIKKASLFSECF-QMMMGPOBSA-N 0 0 185.292 2.094 10 0 AEAERN Cc1csc(CCC[C@@H](C)O)n1 87397750 572466312 /nfs/dbraw/zinc/46/63/12/572466312.db2.gz NPBHZHBXOHMFIR-MRVPVSSYSA-N 0 0 185.292 2.155 10 0 AEAERN Cc1nc(CC[C@@H](C)CO)sc1C 87397800 572466374 /nfs/dbraw/zinc/46/63/74/572466374.db2.gz RZPSIFRATNVQQK-SSDOTTSWSA-N 0 0 199.319 2.321 10 0 AEAERN CC1(C)Cc2c1c1ccccc1[nH]c2=O 238254978 572466393 /nfs/dbraw/zinc/46/63/93/572466393.db2.gz AQMPPNXPXDUYCF-UHFFFAOYSA-N 0 0 199.253 2.362 10 0 AEAERN CCC[C@](C)(CO)Cc1nccs1 87398440 572466511 /nfs/dbraw/zinc/46/65/11/572466511.db2.gz BCGRTPRBQQDRLR-JTQLQIEISA-N 0 0 199.319 2.484 10 0 AEAERN Cc1csc(CCC[C@H](C)O)n1 87397751 572466539 /nfs/dbraw/zinc/46/65/39/572466539.db2.gz NPBHZHBXOHMFIR-QMMMGPOBSA-N 0 0 185.292 2.155 10 0 AEAERN CCCC[C@]1(CC)SCNC1=O 238256212 572466546 /nfs/dbraw/zinc/46/65/46/572466546.db2.gz FVPHBRHQCGIDRY-VIFPVBQESA-N 0 0 187.308 2.146 10 0 AEAERN CCOc1ccc(NCC2CC2)cn1 87399184 572466636 /nfs/dbraw/zinc/46/66/36/572466636.db2.gz CGDIRANBLYEAHV-UHFFFAOYSA-N 0 0 192.262 2.302 10 0 AEAERN CC(C)(C)C[C@H](O)Cc1ccccn1 83950772 572466669 /nfs/dbraw/zinc/46/66/69/572466669.db2.gz ZDZYBBLXFHIBDC-LLVKDONJSA-N 0 0 193.290 2.421 10 0 AEAERN CCC(=O)CCCc1ccccn1 83951908 572466692 /nfs/dbraw/zinc/46/66/92/572466692.db2.gz CDBCOFYSRYEKIK-UHFFFAOYSA-N 0 0 177.247 2.383 10 0 AEAERN CC[C@H](C)[C@@H](O)Cc1ccncc1 83950731 572466717 /nfs/dbraw/zinc/46/67/17/572466717.db2.gz OGSXNBOLMDYPGX-ONGXEEELSA-N 0 0 179.263 2.031 10 0 AEAERN CCC[C@H](C)[C@@H](O)Cc1ccccn1 83950767 572466740 /nfs/dbraw/zinc/46/67/40/572466740.db2.gz GKYYLVCLWQUAJK-JQWIXIFHSA-N 0 0 193.290 2.421 10 0 AEAERN O[C@@H](CCCc1ccccn1)C1CC1 83952279 572466764 /nfs/dbraw/zinc/46/67/64/572466764.db2.gz BMXCWNBYROCAJA-LBPRGKRZSA-N 0 0 191.274 2.175 10 0 AEAERN CC(=O)C[C@@H](C)Cc1ccncc1 83951932 572466770 /nfs/dbraw/zinc/46/67/70/572466770.db2.gz ZQBLLDBXBBMUEA-SECBINFHSA-N 0 0 177.247 2.239 10 0 AEAERN CC(C)(C)C[C@@H](O)Cc1ccncc1 83950775 572466773 /nfs/dbraw/zinc/46/67/73/572466773.db2.gz BDBLWMIJHDCOOH-NSHDSACASA-N 0 0 193.290 2.421 10 0 AEAERN C[C@@H](Cc1ccncc1)C[C@@H](C)O 83952302 572466804 /nfs/dbraw/zinc/46/68/04/572466804.db2.gz QEPIRPHFCCSZDX-NXEZZACHSA-N 0 0 179.263 2.031 10 0 AEAERN CCC(=O)CCCc1ccncc1 83951909 572466819 /nfs/dbraw/zinc/46/68/19/572466819.db2.gz JZXPWDPIFDVHBY-UHFFFAOYSA-N 0 0 177.247 2.383 10 0 AEAERN CC[C@H](C)[C@@H](O)Cc1ccccn1 83950727 572466826 /nfs/dbraw/zinc/46/68/26/572466826.db2.gz NLQQTIRDNCBQMQ-ONGXEEELSA-N 0 0 179.263 2.031 10 0 AEAERN CC[C@@](O)(Cc1ccncc1)C1CC1 83950890 572466838 /nfs/dbraw/zinc/46/68/38/572466838.db2.gz WOZNVFKZJPDSQC-GFCCVEGCSA-N 0 0 191.274 2.175 10 0 AEAERN C[C@H](O)C[C@H](C)Cc1ccncc1 83952305 572466881 /nfs/dbraw/zinc/46/68/81/572466881.db2.gz QEPIRPHFCCSZDX-UWVGGRQHSA-N 0 0 179.263 2.031 10 0 AEAERN CCCCNC(=O)Cc1cccnc1 90442586 572466882 /nfs/dbraw/zinc/46/68/82/572466882.db2.gz TYVPFWPHURLFJD-FLIBITNWSA-N 0 0 192.262 2.328 10 0 AEAERN O=C(CCCc1ccncc1)C1CC1 83951915 572466887 /nfs/dbraw/zinc/46/68/87/572466887.db2.gz JXZUFHYTGVDADJ-UHFFFAOYSA-N 0 0 189.258 2.383 10 0 AEAERN CC[C@H](O)CCCc1ccncc1 83952271 572466933 /nfs/dbraw/zinc/46/69/33/572466933.db2.gz FZVFSNJNJPBACF-NSHDSACASA-N 0 0 179.263 2.175 10 0 AEAERN CCC[C@@H](C)[C@@H](O)Cc1ccncc1 83950770 572466974 /nfs/dbraw/zinc/46/69/74/572466974.db2.gz HTJHFQZDUWLJCW-PWSUYJOCSA-N 0 0 193.290 2.421 10 0 AEAERN C[C@H](O)C[C@@H](C)Cc1ccccn1 83952300 572466994 /nfs/dbraw/zinc/46/69/94/572466994.db2.gz VUNHMJNLBYUUMJ-ZJUUUORDSA-N 0 0 179.263 2.031 10 0 AEAERN CC[C@H](C)[C@H](O)Cc1ccccn1 83950725 572467018 /nfs/dbraw/zinc/46/70/18/572467018.db2.gz NLQQTIRDNCBQMQ-GXSJLCMTSA-N 0 0 179.263 2.031 10 0 AEAERN CC(=O)C[C@@H](C)Cc1ccccn1 83951930 572467028 /nfs/dbraw/zinc/46/70/28/572467028.db2.gz PFTRUEUDAXZIHR-SECBINFHSA-N 0 0 177.247 2.239 10 0 AEAERN CCC[C@@H](C)[C@H](O)Cc1ccncc1 83950768 572467034 /nfs/dbraw/zinc/46/70/34/572467034.db2.gz HTJHFQZDUWLJCW-ZYHUDNBSSA-N 0 0 193.290 2.421 10 0 AEAERN CCC[C@H](C)[C@H](O)Cc1ccccn1 83950765 572467072 /nfs/dbraw/zinc/46/70/72/572467072.db2.gz GKYYLVCLWQUAJK-CMPLNLGQSA-N 0 0 193.290 2.421 10 0 AEAERN CCC[C@@H](C)[C@H](O)Cc1ccccn1 83950764 572467400 /nfs/dbraw/zinc/46/74/00/572467400.db2.gz GKYYLVCLWQUAJK-ZYHUDNBSSA-N 0 0 193.290 2.421 10 0 AEAERN CCCn1ccnc1[C@@H]1CCCC1=O 69048537 572467111 /nfs/dbraw/zinc/46/71/11/572467111.db2.gz BMYQGOIAXRURML-SECBINFHSA-N 0 0 192.262 2.130 10 0 AEAERN CC(=O)C[C@H](C)Cc1ccncc1 83951933 572467118 /nfs/dbraw/zinc/46/71/18/572467118.db2.gz ZQBLLDBXBBMUEA-VIFPVBQESA-N 0 0 177.247 2.239 10 0 AEAERN CC(C)[C@@H](O)CCCc1ccccn1 83952276 572467127 /nfs/dbraw/zinc/46/71/27/572467127.db2.gz NMQGRYLPMUWTHS-LBPRGKRZSA-N 0 0 193.290 2.421 10 0 AEAERN CCC[C@H](C)[C@@H](O)Cc1ccncc1 83950771 572467137 /nfs/dbraw/zinc/46/71/37/572467137.db2.gz HTJHFQZDUWLJCW-JQWIXIFHSA-N 0 0 193.290 2.421 10 0 AEAERN CC[C@@H](O)CCCc1ccccn1 83952270 572467189 /nfs/dbraw/zinc/46/71/89/572467189.db2.gz AQLXESAAIVIPMA-LLVKDONJSA-N 0 0 179.263 2.175 10 0 AEAERN CC(=O)c1ccnc(OCC(C)C)c1 87400554 572467262 /nfs/dbraw/zinc/46/72/62/572467262.db2.gz YTYJGBOATFZDGK-UHFFFAOYSA-N 0 0 193.246 2.319 10 0 AEAERN CC(C)[C@H](O)CCCc1ccncc1 83952277 572467270 /nfs/dbraw/zinc/46/72/70/572467270.db2.gz CWRAHSXXFGAPQW-GFCCVEGCSA-N 0 0 193.290 2.421 10 0 AEAERN C[C@@H](Cc1ccccn1)C[C@@H](C)O 83952298 572467284 /nfs/dbraw/zinc/46/72/84/572467284.db2.gz VUNHMJNLBYUUMJ-NXEZZACHSA-N 0 0 179.263 2.031 10 0 AEAERN CCCCNC(=O)Cc1cccnc1 90442583 572467330 /nfs/dbraw/zinc/46/73/30/572467330.db2.gz TYVPFWPHURLFJD-DHZHZOJOSA-N 0 0 192.262 2.328 10 0 AEAERN Cc1ccc(N)cc1-c1cnccn1 69048761 572467397 /nfs/dbraw/zinc/46/73/97/572467397.db2.gz OGBFQXVASRDQEM-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN C[C@@H](O)C[C@H](C)Cc1ccncc1 83952303 572467441 /nfs/dbraw/zinc/46/74/41/572467441.db2.gz QEPIRPHFCCSZDX-VHSXEESVSA-N 0 0 179.263 2.031 10 0 AEAERN O[C@H](CCCc1ccccn1)C1CC1 83952281 572467464 /nfs/dbraw/zinc/46/74/64/572467464.db2.gz BMXCWNBYROCAJA-GFCCVEGCSA-N 0 0 191.274 2.175 10 0 AEAERN O[C@H](CCCc1ccncc1)C1CC1 83952283 572467486 /nfs/dbraw/zinc/46/74/86/572467486.db2.gz ZJXZGEVSZKDKFP-GFCCVEGCSA-N 0 0 191.274 2.175 10 0 AEAERN C[C@@H](O)CC(C)(C)Cc1ccncc1 83952310 572467489 /nfs/dbraw/zinc/46/74/89/572467489.db2.gz SLROQFBOQBMHHE-SNVBAGLBSA-N 0 0 193.290 2.421 10 0 AEAERN CC[C@@H](C)[C@H](O)Cc1ccncc1 83950728 572467556 /nfs/dbraw/zinc/46/75/56/572467556.db2.gz OGSXNBOLMDYPGX-MWLCHTKSSA-N 0 0 179.263 2.031 10 0 AEAERN CC[C@@H](C)[C@H](O)Cc1ccccn1 83950724 572467562 /nfs/dbraw/zinc/46/75/62/572467562.db2.gz NLQQTIRDNCBQMQ-MWLCHTKSSA-N 0 0 179.263 2.031 10 0 AEAERN CC[C@@H](C)OC(=O)C1CC(C)C1 308037346 572467573 /nfs/dbraw/zinc/46/75/73/572467573.db2.gz LGBGVQCYDCOBJQ-QJAFJHJLSA-N 0 0 170.252 2.374 10 0 AEAERN CC(=O)c1ccc(-c2cnccn2)cc1 69048773 572467577 /nfs/dbraw/zinc/46/75/77/572467577.db2.gz FKWYQGALXNIRIE-UHFFFAOYSA-N 0 0 198.225 2.346 10 0 AEAERN CCCOc1cc(C(C)=O)ccn1 87400575 572467579 /nfs/dbraw/zinc/46/75/79/572467579.db2.gz DYVYJDSWKDRONE-UHFFFAOYSA-N 0 0 179.219 2.073 10 0 AEAERN CC(C)(C)C[C@H](O)Cc1ccncc1 83950774 572467628 /nfs/dbraw/zinc/46/76/28/572467628.db2.gz BDBLWMIJHDCOOH-LLVKDONJSA-N 0 0 193.290 2.421 10 0 AEAERN C[C@H](O)C[C@H](C)Cc1ccccn1 83952301 572467640 /nfs/dbraw/zinc/46/76/40/572467640.db2.gz VUNHMJNLBYUUMJ-UWVGGRQHSA-N 0 0 179.263 2.031 10 0 AEAERN CC[C@@](O)(Cc1ccccn1)C1CC1 83950888 572467696 /nfs/dbraw/zinc/46/76/96/572467696.db2.gz XHKMKOUTRCSDKN-GFCCVEGCSA-N 0 0 191.274 2.175 10 0 AEAERN CC(=O)C[C@H](C)Cc1ccccn1 83951931 572467699 /nfs/dbraw/zinc/46/76/99/572467699.db2.gz PFTRUEUDAXZIHR-VIFPVBQESA-N 0 0 177.247 2.239 10 0 AEAERN CC[C@@H](C)[C@@H](O)Cc1ccncc1 83950730 572467777 /nfs/dbraw/zinc/46/77/77/572467777.db2.gz OGSXNBOLMDYPGX-KOLCDFICSA-N 0 0 179.263 2.031 10 0 AEAERN CC[C@](O)(Cc1ccncc1)C1CC1 83950891 572467804 /nfs/dbraw/zinc/46/78/04/572467804.db2.gz WOZNVFKZJPDSQC-LBPRGKRZSA-N 0 0 191.274 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62169067 572483427 /nfs/dbraw/zinc/48/34/27/572483427.db2.gz LGNQKWXTZDVLFH-VXGBXAGGSA-N 0 0 191.274 2.175 10 0 AEAERN CCC[C@H](O)CC(=O)c1ccco1 238261600 572483489 /nfs/dbraw/zinc/48/34/89/572483489.db2.gz WXJWCBRNDVOUBF-QMMMGPOBSA-N 0 0 182.219 2.013 10 0 AEAERN CCOc1cc(C=O)cc(C)c1OC 238263749 572483566 /nfs/dbraw/zinc/48/35/66/572483566.db2.gz YSGSCWCGOHTNBP-UHFFFAOYSA-N 0 0 194.230 2.215 10 0 AEAERN CC1(C)C[C@@H]1C(=O)C[C@H]1CCCOC1 689647734 572483585 /nfs/dbraw/zinc/48/35/85/572483585.db2.gz BYWXXPIPKPPFQV-NXEZZACHSA-N 0 0 196.290 2.418 10 0 AEAERN CC[C@@H]1CN(C)c2ccc(F)cc2N1 76929587 572483591 /nfs/dbraw/zinc/48/35/91/572483591.db2.gz TVIGADLVRRRYGW-SECBINFHSA-N 0 0 194.253 2.466 10 0 AEAERN CCO[C@H](c1ccccc1)[C@H](C)CO 238261677 572483602 /nfs/dbraw/zinc/48/36/02/572483602.db2.gz MOLWGXNXYDQXBN-PWSUYJOCSA-N 0 0 194.274 2.393 10 0 AEAERN Cc1nc(-c2ccoc2)oc1C=O 141473420 572483751 /nfs/dbraw/zinc/48/37/51/572483751.db2.gz UDFOPUIEPUOJME-UHFFFAOYSA-N 0 0 177.159 2.056 10 0 AEAERN CCC[C@@H]1C[C@]1(O)C[C@@H](C)COC 87438604 572483782 /nfs/dbraw/zinc/48/37/82/572483782.db2.gz DFEOQEUCDRZLTC-GMTAPVOTSA-N 0 0 186.295 2.210 10 0 AEAERN Nc1ccccc1[C@H]1CCCC[C@H]1O 141379117 572483791 /nfs/dbraw/zinc/48/37/91/572483791.db2.gz GVOCIDJQNRZKMR-ZYHUDNBSSA-N 0 0 191.274 2.287 10 0 AEAERN CCOCC(=CCl)COCC 238261748 572483853 /nfs/dbraw/zinc/48/38/53/572483853.db2.gz RMMLVMILPIYSMX-UHFFFAOYSA-N 0 0 178.659 2.182 10 0 AEAERN Cc1ccc(C)c2n[nH]cc12 141327124 572483931 /nfs/dbraw/zinc/48/39/31/572483931.db2.gz IYTYXDFIIHSAED-UHFFFAOYSA-N 0 0 146.193 2.180 10 0 AEAERN O[C@H]1CCCC[C@@H]1Cc1cccnc1 62169063 572483969 /nfs/dbraw/zinc/48/39/69/572483969.db2.gz LGNQKWXTZDVLFH-NEPJUHHUSA-N 0 0 191.274 2.175 10 0 AEAERN CCC(C)(C)COC(=O)C(F)F 308041349 572484043 /nfs/dbraw/zinc/48/40/43/572484043.db2.gz NOQKNRRFEBXCAD-UHFFFAOYSA-N 0 0 180.194 2.231 10 0 AEAERN CCCNc1nccnc1CC(C)C 84027868 572484068 /nfs/dbraw/zinc/48/40/68/572484068.db2.gz DASFDVJEXKADRE-UHFFFAOYSA-N 0 0 193.294 2.497 10 0 AEAERN O=Cc1ccc2ncc(Cl)nc2c1 141335080 572484069 /nfs/dbraw/zinc/48/40/69/572484069.db2.gz MHFXHWJNDUUNPP-UHFFFAOYSA-N 0 0 192.605 2.096 10 0 AEAERN C/C=C(/CCO)c1ccccc1 141475911 572484098 /nfs/dbraw/zinc/48/40/98/572484098.db2.gz UMCDNQUGKRDVAV-SGAXSIHGSA-N 0 0 162.232 2.472 10 0 AEAERN CC1(C)C[C@H]1C(=O)C[C@@H]1CCCOC1 689647737 572484134 /nfs/dbraw/zinc/48/41/34/572484134.db2.gz BYWXXPIPKPPFQV-UWVGGRQHSA-N 0 0 196.290 2.418 10 0 AEAERN CO[C@@H](C)CC(=O)Cc1ccsc1 90514934 572484272 /nfs/dbraw/zinc/48/42/72/572484272.db2.gz RVQUGYWOMZVVEK-QMMMGPOBSA-N 0 0 198.287 2.285 10 0 AEAERN Nc1ccc([C@@H]2CCCC[C@H]2O)cc1 141380111 572484288 /nfs/dbraw/zinc/48/42/88/572484288.db2.gz NRSSTNVYUINMGF-NWDGAFQWSA-N 0 0 191.274 2.287 10 0 AEAERN Cc1csc2c1C(=O)[C@@H](C)C2 141360284 572484333 /nfs/dbraw/zinc/48/43/33/572484333.db2.gz PVHUGHLRNAPDFQ-YFKPBYRVSA-N 0 0 166.245 2.431 10 0 AEAERN CC1(C)C[C@@H]1C(=O)C[C@@H]1CCCOC1 689647744 572484361 /nfs/dbraw/zinc/48/43/61/572484361.db2.gz BYWXXPIPKPPFQV-VHSXEESVSA-N 0 0 196.290 2.418 10 0 AEAERN C[C@H]1[C@H](C)C1(C)Cl 141328549 572484374 /nfs/dbraw/zinc/48/43/74/572484374.db2.gz OHRACCIKGNBPNI-WHFBIAKZSA-N 0 0 118.607 2.270 10 0 AEAERN CCC[C@H](C/C(Cl)=C/CO)OC 238263730 572484388 /nfs/dbraw/zinc/48/43/88/572484388.db2.gz IWXIXLYEMHALJE-BZJXQOFCSA-N 0 0 192.686 2.307 10 0 AEAERN CCCC1=C[C@@H]2CCC(=O)[C@H]12 141354049 572485055 /nfs/dbraw/zinc/48/50/55/572485055.db2.gz IQRUCDNQGDVVCP-WCBMZHEXSA-N 0 0 150.221 2.322 10 0 AEAERN CCC[C@H](O)CC(=O)c1cccs1 238261612 572484399 /nfs/dbraw/zinc/48/43/99/572484399.db2.gz FMBGGRGLHXRUNW-QMMMGPOBSA-N 0 0 198.287 2.482 10 0 AEAERN CCC[C@H](C(C)=O)[C@H](C)C(C)=O 238264019 572484477 /nfs/dbraw/zinc/48/44/77/572484477.db2.gz KEVFVXYAGPJAQK-XCBNKYQSSA-N 0 0 170.252 2.217 10 0 AEAERN O[C@H]1CCCC[C@H]1Cc1cccnc1 62169062 572484485 /nfs/dbraw/zinc/48/44/85/572484485.db2.gz LGNQKWXTZDVLFH-RYUDHWBXSA-N 0 0 191.274 2.175 10 0 AEAERN CCOCC(=O)[C@@H]1CCC[C@H](C)C1 84062952 572484495 /nfs/dbraw/zinc/48/44/95/572484495.db2.gz BKZVQDOWERFNHR-VHSXEESVSA-N 0 0 184.279 2.418 10 0 AEAERN CCC[C@H](O)CC(O)(CC)CC 238261673 572484521 /nfs/dbraw/zinc/48/45/21/572484521.db2.gz KRMZJFOIJIIQGP-VIFPVBQESA-N 0 0 174.284 2.089 10 0 AEAERN Cc1csc2c1C(=O)[C@H](C)C2 141360128 572484533 /nfs/dbraw/zinc/48/45/33/572484533.db2.gz PVHUGHLRNAPDFQ-RXMQYKEDSA-N 0 0 166.245 2.431 10 0 AEAERN CCOC[C@H](O)c1cc(C)cc(C)c1 84063548 572484600 /nfs/dbraw/zinc/48/46/00/572484600.db2.gz OCGLNUJODQRWHI-LBPRGKRZSA-N 0 0 194.274 2.373 10 0 AEAERN CCOCC(=O)[C@@H]1CCC[C@@H](C)C1 84062956 572484612 /nfs/dbraw/zinc/48/46/12/572484612.db2.gz BKZVQDOWERFNHR-NXEZZACHSA-N 0 0 184.279 2.418 10 0 AEAERN CCc1cn2c(C)c(C=O)sc2n1 74246362 572484653 /nfs/dbraw/zinc/48/46/53/572484653.db2.gz SLBHHVPERNRMAU-UHFFFAOYSA-N 0 0 194.259 2.079 10 0 AEAERN CCC[C@H](CC)CCCC(N)=O 238263893 572484729 /nfs/dbraw/zinc/48/47/29/572484729.db2.gz IAPHZKYAUQSVJT-VIFPVBQESA-N 0 0 171.284 2.468 10 0 AEAERN CCOC[C@H](O)c1cc(F)ccc1C 84063532 572484732 /nfs/dbraw/zinc/48/47/32/572484732.db2.gz FBPTXFKGRFZGGC-NSHDSACASA-N 0 0 198.237 2.204 10 0 AEAERN C[C@@H](O)c1cc(-c2ccccc2)on1 141356996 572484748 /nfs/dbraw/zinc/48/47/48/572484748.db2.gz MUNGPFSJRKBXES-MRVPVSSYSA-N 0 0 189.214 2.395 10 0 AEAERN Nc1ccccc1[C@H]1CCCC[C@@H]1O 141378734 572484846 /nfs/dbraw/zinc/48/48/46/572484846.db2.gz GVOCIDJQNRZKMR-PWSUYJOCSA-N 0 0 191.274 2.287 10 0 AEAERN CC(C)c1cn2cc(C=O)sc2n1 74246364 572484850 /nfs/dbraw/zinc/48/48/50/572484850.db2.gz IDSGXNGUGRIETE-UHFFFAOYSA-N 0 0 194.259 2.332 10 0 AEAERN CCC[C@H](C(C)=O)[C@@H](C)C(C)=O 238263685 572484904 /nfs/dbraw/zinc/48/49/04/572484904.db2.gz KEVFVXYAGPJAQK-XVKPBYJWSA-N 0 0 170.252 2.217 10 0 AEAERN C/C=C/COC(=O)C1CC(C)C1 308041362 572484954 /nfs/dbraw/zinc/48/49/54/572484954.db2.gz NPYAXWSZOBXZOT-ONEGZZNKSA-N 0 0 168.236 2.152 10 0 AEAERN O=Cc1cc2c(s1)OCC21CCC1 74246411 572485023 /nfs/dbraw/zinc/48/50/23/572485023.db2.gz KZAXSJPXDAZMOQ-UHFFFAOYSA-N 0 0 194.255 2.375 10 0 AEAERN CCC[C@H](O)[C@@H](F)CC[C@@H](O)CC 238263581 572484965 /nfs/dbraw/zinc/48/49/65/572484965.db2.gz GBQSGJXDKUNZND-GUBZILKMSA-N 0 0 192.274 2.037 10 0 AEAERN CCC[C@H](CC(C)=O)OCC 238263367 572485020 /nfs/dbraw/zinc/48/50/20/572485020.db2.gz IALGMBQXWFSWCU-SECBINFHSA-N 0 0 158.241 2.171 10 0 AEAERN CCOC[C@H](O)CCc1ccccc1 84063528 572485019 /nfs/dbraw/zinc/48/50/19/572485019.db2.gz VBBJDPAATGGTFT-GFCCVEGCSA-N 0 0 194.274 2.017 10 0 AEAERN Nc1cc2onc(CC3CC3)c2s1 74246374 572485429 /nfs/dbraw/zinc/48/54/29/572485429.db2.gz RLXWYYQNHQNVST-UHFFFAOYSA-N 0 0 194.259 2.424 10 0 AEAERN C[C@H](O)c1cc(-c2ccccc2)on1 141357183 572485112 /nfs/dbraw/zinc/48/51/12/572485112.db2.gz MUNGPFSJRKBXES-QMMMGPOBSA-N 0 0 189.214 2.395 10 0 AEAERN CCOCC(=O)Cc1cccc(C)c1 84062727 572485067 /nfs/dbraw/zinc/48/50/67/572485067.db2.gz LBQARORUZFPGCZ-UHFFFAOYSA-N 0 0 192.258 2.143 10 0 AEAERN CCc1nc2cc(O)c(N)cc2s1 74246339 572485187 /nfs/dbraw/zinc/48/51/87/572485187.db2.gz DHVHRHMETURBQI-UHFFFAOYSA-N 0 0 194.259 2.147 10 0 AEAERN CCC[C@H](C)C[C@@H](O)COCC 84063471 572485275 /nfs/dbraw/zinc/48/52/75/572485275.db2.gz VCRHVJGATQUSBL-VHSXEESVSA-N 0 0 174.284 2.210 10 0 AEAERN CCOCC(=O)CCC(C)C 84062748 572485318 /nfs/dbraw/zinc/48/53/18/572485318.db2.gz AZQWDKPXYSHAKD-UHFFFAOYSA-N 0 0 158.241 2.028 10 0 AEAERN CCOC[C@@H](O)c1ccc(F)c(C)c1 84063388 572485408 /nfs/dbraw/zinc/48/54/08/572485408.db2.gz RIQGLAJQZBOVNC-LLVKDONJSA-N 0 0 198.237 2.204 10 0 AEAERN CON[C@@H](C)c1cccc(F)c1F 234745951 572485438 /nfs/dbraw/zinc/48/54/38/572485438.db2.gz FNQFJLLDXDECEC-LURJTMIESA-N 0 0 187.189 2.177 10 0 AEAERN C[C@@H]1C[C@]1(C)[C@H](O)C[C@@H]1CCCOC1 689456184 572485452 /nfs/dbraw/zinc/48/54/52/572485452.db2.gz CRKXWJGXTRUIDY-KXNHARMFSA-N 0 0 198.306 2.210 10 0 AEAERN CCC[C@H](C)C[C@H](O)COCC 84063466 572485457 /nfs/dbraw/zinc/48/54/57/572485457.db2.gz VCRHVJGATQUSBL-UWVGGRQHSA-N 0 0 174.284 2.210 10 0 AEAERN CCCOC[C@@H](O)C1CC(C2CC2)C1 714461663 572485524 /nfs/dbraw/zinc/48/55/24/572485524.db2.gz RWEUTCBIZUDTIO-HTAVTVPLSA-N 0 0 198.306 2.210 10 0 AEAERN CO[C@@H]1CCCC[C@@]1(O)C=C(C)C 234746169 572485495 /nfs/dbraw/zinc/48/54/95/572485495.db2.gz AMARUOZSRWHDIC-GHMZBOCLSA-N 0 0 184.279 2.273 10 0 AEAERN CCC[C@@H](C)C[C@H](O)COCC 84063465 572485554 /nfs/dbraw/zinc/48/55/54/572485554.db2.gz VCRHVJGATQUSBL-ZJUUUORDSA-N 0 0 174.284 2.210 10 0 AEAERN CCOC[C@H](O)[C@H]1CCC[C@H](C)C1 84063425 572485641 /nfs/dbraw/zinc/48/56/41/572485641.db2.gz FNZHHRCYYRZCHS-DCAQKATOSA-N 0 0 186.295 2.210 10 0 AEAERN CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H]21 44857500 572485645 /nfs/dbraw/zinc/48/56/45/572485645.db2.gz PTEZWVYFPGDCKB-SFYZADRCSA-N 0 0 183.251 2.016 10 0 AEAERN CCOCC(=O)c1csc(C)c1 84062741 572485611 /nfs/dbraw/zinc/48/56/11/572485611.db2.gz IMMGFJSBCXYTRQ-UHFFFAOYSA-N 0 0 184.260 2.276 10 0 AEAERN CCOCC(=O)c1ccc(F)c(C)c1 84062828 572485708 /nfs/dbraw/zinc/48/57/08/572485708.db2.gz VSYUBJHZCNEIBR-UHFFFAOYSA-N 0 0 196.221 2.353 10 0 AEAERN C/C=C\COC(=O)C1CC(C)C1 308041361 572485721 /nfs/dbraw/zinc/48/57/21/572485721.db2.gz NPYAXWSZOBXZOT-ARJAWSKDSA-N 0 0 168.236 2.152 10 0 AEAERN CCC[P@@](=O)(CO)c1ccccc1 238264808 572485736 /nfs/dbraw/zinc/48/57/36/572485736.db2.gz BVATXSBRFAAZAR-CYBMUJFWSA-N 0 0 198.202 2.035 10 0 AEAERN CCOC[C@H](O)c1cc(C)ccc1F 84063480 572485749 /nfs/dbraw/zinc/48/57/49/572485749.db2.gz WROGFLXLWYGQDS-NSHDSACASA-N 0 0 198.237 2.204 10 0 AEAERN COC(=O)NC/C=C\c1ccccc1 90514542 572485759 /nfs/dbraw/zinc/48/57/59/572485759.db2.gz GBZJJYYGSUQNRN-YVMONPNESA-N 0 0 191.230 2.056 10 0 AEAERN CCOCC(=O)C1CCCCC1 84062821 572485823 /nfs/dbraw/zinc/48/58/23/572485823.db2.gz MHBKFCKENPGDQF-UHFFFAOYSA-N 0 0 170.252 2.172 10 0 AEAERN C=C/C=C/CC[C@H](O)C(O)(CC)CC 713716435 572485827 /nfs/dbraw/zinc/48/58/27/572485827.db2.gz LAPHGIMJGFCDKY-AEZGRPFRSA-N 0 0 198.306 2.421 10 0 AEAERN CCOC[C@H](O)c1ccc(F)cc1C 84063102 572485834 /nfs/dbraw/zinc/48/58/34/572485834.db2.gz LBKBNDMJGRIDNF-NSHDSACASA-N 0 0 198.237 2.204 10 0 AEAERN CCOCC(=O)C[C@H](C)CC 84062922 572485870 /nfs/dbraw/zinc/48/58/70/572485870.db2.gz CUJPGEIFSYIHDH-MRVPVSSYSA-N 0 0 158.241 2.028 10 0 AEAERN C=C/C=C\CC[C@H](O)[C@H](OC)C1CC1 713716444 572485880 /nfs/dbraw/zinc/48/58/80/572485880.db2.gz LBDVDDWUWUXTDZ-KBIXYVOKSA-N 0 0 196.290 2.295 10 0 AEAERN CCC[C@H](O)[C@H](C)C(=S)SC 238264331 572485949 /nfs/dbraw/zinc/48/59/49/572485949.db2.gz KNNXFHYUVDORCJ-BQBZGAKWSA-N 0 0 192.349 2.474 10 0 AEAERN CC(C)(C)C[C@H](NN)[C@@]12CCC[C@@H]1C2 713262903 572485983 /nfs/dbraw/zinc/48/59/83/572485983.db2.gz HUXHFYGBMWBGFY-JFGNBEQYSA-N 0 0 196.338 2.445 10 0 AEAERN CCOC[C@@H](O)c1cc(C)ccc1F 84063482 572486074 /nfs/dbraw/zinc/48/60/74/572486074.db2.gz WROGFLXLWYGQDS-LLVKDONJSA-N 0 0 198.237 2.204 10 0 AEAERN CCOCC(=O)C1CCC(C)CC1 84062984 572486130 /nfs/dbraw/zinc/48/61/30/572486130.db2.gz VIXLNXGIQQDQNZ-UHFFFAOYSA-N 0 0 184.279 2.418 10 0 AEAERN Nc1cc2nc(CC3CC3)oc2s1 74246340 572486153 /nfs/dbraw/zinc/48/61/53/572486153.db2.gz FEDHKZMJQIVBQD-UHFFFAOYSA-N 0 0 194.259 2.424 10 0 AEAERN Cc1cc2nc([C@H](C)N)oc2cc1F 74246967 572486238 /nfs/dbraw/zinc/48/62/38/572486238.db2.gz KTZONCAJQCKVRJ-LURJTMIESA-N 0 0 194.209 2.295 10 0 AEAERN CCOC[C@@H](O)CCc1ccccc1 84063529 572486333 /nfs/dbraw/zinc/48/63/33/572486333.db2.gz VBBJDPAATGGTFT-LBPRGKRZSA-N 0 0 194.274 2.017 10 0 AEAERN CCCCc1cccc(OC(N)=O)c1 238265155 572486346 /nfs/dbraw/zinc/48/63/46/572486346.db2.gz UJJFBKJCGCEAQH-UHFFFAOYSA-N 0 0 193.246 2.487 10 0 AEAERN CO[C@@H]1CCCC[C@@]1(O)C(C)(C)C 234743752 572486381 /nfs/dbraw/zinc/48/63/81/572486381.db2.gz LPTHORPIHWCHAO-KOLCDFICSA-N 0 0 186.295 2.353 10 0 AEAERN CCOCC(=O)CCC(C)(C)C 84062754 572486414 /nfs/dbraw/zinc/48/64/14/572486414.db2.gz OCXSHRQMSYZPIK-UHFFFAOYSA-N 0 0 172.268 2.418 10 0 AEAERN CCn1c(C)nc2c(C=O)scc21 74246347 572486441 /nfs/dbraw/zinc/48/64/41/572486441.db2.gz IRKDMOKKXFDWNK-UHFFFAOYSA-N 0 0 194.259 2.239 10 0 AEAERN CCOC[C@@H](O)c1ccc(C)s1 84063008 572486453 /nfs/dbraw/zinc/48/64/53/572486453.db2.gz FOHMYZVACXIHGI-MRVPVSSYSA-N 0 0 186.276 2.126 10 0 AEAERN CCOCC(=O)Cc1ccccc1C 84062915 572486457 /nfs/dbraw/zinc/48/64/57/572486457.db2.gz WPBXZXFMKGNYSZ-UHFFFAOYSA-N 0 0 192.258 2.143 10 0 AEAERN CCC(CC)(CC)C(=O)N1CC1 308040702 572486459 /nfs/dbraw/zinc/48/64/59/572486459.db2.gz NELKMVHLSVAGBH-UHFFFAOYSA-N 0 0 169.268 2.045 10 0 AEAERN Cc1cccc2cc(Cl)nn12 44831931 572486495 /nfs/dbraw/zinc/48/64/95/572486495.db2.gz SXTKUXRGOKALBL-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN CCCC(=O)c1snnc1CCC 158274033 572486498 /nfs/dbraw/zinc/48/64/98/572486498.db2.gz MNOOUKROYBMZAX-UHFFFAOYSA-N 0 0 198.291 2.473 10 0 AEAERN C[C@@H](CC1CC1)Nc1cc(N)ns1 235080512 572486510 /nfs/dbraw/zinc/48/65/10/572486510.db2.gz DSCRYZAYRNFERA-LURJTMIESA-N 0 0 197.307 2.326 10 0 AEAERN COCc1nc(C(C)C)cc(=S)[nH]1 234744207 572486524 /nfs/dbraw/zinc/48/65/24/572486524.db2.gz ATERWIJNXPZQDD-UHFFFAOYSA-N 0 0 198.291 2.035 10 0 AEAERN CCOC[C@@H](O)c1ccc(F)cc1C 84063104 572486550 /nfs/dbraw/zinc/48/65/50/572486550.db2.gz LBKBNDMJGRIDNF-LLVKDONJSA-N 0 0 198.237 2.204 10 0 AEAERN CCC[C@H](O)[C@H](CCC)C(C)=O 238264593 572486565 /nfs/dbraw/zinc/48/65/65/572486565.db2.gz LQUFXUWSQHLVQH-ZJUUUORDSA-N 0 0 172.268 2.153 10 0 AEAERN CCC[C@H](O)[C@H](F)CC[C@@H](O)CC 238264722 572486666 /nfs/dbraw/zinc/48/66/66/572486666.db2.gz GBQSGJXDKUNZND-AEJSXWLSSA-N 0 0 192.274 2.037 10 0 AEAERN CCOCC(=O)[C@H]1CCC[C@H](C)C1 84062954 572486697 /nfs/dbraw/zinc/48/66/97/572486697.db2.gz BKZVQDOWERFNHR-UWVGGRQHSA-N 0 0 184.279 2.418 10 0 AEAERN C=C/C=C\CC[C@H](O)C(O)(CC)CC 713716438 572486745 /nfs/dbraw/zinc/48/67/45/572486745.db2.gz LAPHGIMJGFCDKY-TVRMLOFPSA-N 0 0 198.306 2.421 10 0 AEAERN CC[C@H](C)N(CCO)c1ccccc1 238264291 572486818 /nfs/dbraw/zinc/48/68/18/572486818.db2.gz FYYWYGZALIJLJS-NSHDSACASA-N 0 0 193.290 2.284 10 0 AEAERN CCOC[C@@H](O)c1csc(C)c1 84063503 572486944 /nfs/dbraw/zinc/48/69/44/572486944.db2.gz QCZUSZALUIUJSS-SECBINFHSA-N 0 0 186.276 2.126 10 0 AEAERN CCC[C@@H](C)C[C@@H](O)COCC 84063468 572486964 /nfs/dbraw/zinc/48/69/64/572486964.db2.gz VCRHVJGATQUSBL-NXEZZACHSA-N 0 0 174.284 2.210 10 0 AEAERN CCOCC(=O)CCc1ccsc1 84062945 572486986 /nfs/dbraw/zinc/48/69/86/572486986.db2.gz ZNKHYZOSNQLNBE-UHFFFAOYSA-N 0 0 198.287 2.286 10 0 AEAERN C=C/C=C\CC[C@H](O)[C@@H](OC)C1CC1 713716442 572486994 /nfs/dbraw/zinc/48/69/94/572486994.db2.gz LBDVDDWUWUXTDZ-DFPOMNKCSA-N 0 0 196.290 2.295 10 0 AEAERN C/C=C/[C@](O)(CCC)[C@@H](O)CCC 238264172 572486998 /nfs/dbraw/zinc/48/69/98/572486998.db2.gz HUBGWEJPFYWWEV-VAZREYJMSA-N 0 0 186.295 2.255 10 0 AEAERN CCOCC(=O)c1cc(F)ccc1C 84062788 572487026 /nfs/dbraw/zinc/48/70/26/572487026.db2.gz YWXYFGHHYZJTDD-UHFFFAOYSA-N 0 0 196.221 2.353 10 0 AEAERN CCc1cc(-c2cc(N)cc[nH+]2)ccn1 307772044 572487044 /nfs/dbraw/zinc/48/70/44/572487044.db2.gz BZKTVHZJCZVPAU-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN CCOCC(=O)CCc1ccccc1 84062756 572487055 /nfs/dbraw/zinc/48/70/55/572487055.db2.gz ACELCPZWRQRZBQ-UHFFFAOYSA-N 0 0 192.258 2.225 10 0 AEAERN CCOCC(=O)Cc1ccc(C)cc1 84062817 572487087 /nfs/dbraw/zinc/48/70/87/572487087.db2.gz BTLTWJRUPSBGKF-UHFFFAOYSA-N 0 0 192.258 2.143 10 0 AEAERN CCOC[C@@H](O)c1cccc(C)c1C 84063261 572487138 /nfs/dbraw/zinc/48/71/38/572487138.db2.gz BGJFFWFAQJIYND-GFCCVEGCSA-N 0 0 194.274 2.373 10 0 AEAERN CC(F)(F)CCC(=O)OC1CC1 308041367 572487162 /nfs/dbraw/zinc/48/71/62/572487162.db2.gz NQGFLTXYKQDQHO-UHFFFAOYSA-N 0 0 178.178 2.127 10 0 AEAERN CCc1nc2sc(C=O)cn2c1C 74246363 572487192 /nfs/dbraw/zinc/48/71/92/572487192.db2.gz UGRROPRJWPAPSY-UHFFFAOYSA-N 0 0 194.259 2.079 10 0 AEAERN CO[C@H](C)CC(=O)Cc1ccsc1 90514939 572487245 /nfs/dbraw/zinc/48/72/45/572487245.db2.gz RVQUGYWOMZVVEK-MRVPVSSYSA-N 0 0 198.287 2.285 10 0 AEAERN CCOC[C@H](O)c1ccc(F)c(C)c1 84063386 572487253 /nfs/dbraw/zinc/48/72/53/572487253.db2.gz RIQGLAJQZBOVNC-NSHDSACASA-N 0 0 198.237 2.204 10 0 AEAERN CCc1cc2ncccc2[nH]1 141494029 572487276 /nfs/dbraw/zinc/48/72/76/572487276.db2.gz ZOSHCAMYDRAGSR-UHFFFAOYSA-N 0 0 146.193 2.125 10 0 AEAERN CCC[C@H](O)[C@H](C)/C=C/OCC 238264416 572487286 /nfs/dbraw/zinc/48/72/86/572487286.db2.gz BBLDXVHDTCNKPA-PSFRMBJNSA-N 0 0 172.268 2.334 10 0 AEAERN CCOC[C@H](O)c1cccc(C)c1C 84063258 572487301 /nfs/dbraw/zinc/48/73/01/572487301.db2.gz BGJFFWFAQJIYND-LBPRGKRZSA-N 0 0 194.274 2.373 10 0 AEAERN CCc1nc2c(C=O)scc2n1C 74246346 572487319 /nfs/dbraw/zinc/48/73/19/572487319.db2.gz QDHKOAKRLGJPRA-UHFFFAOYSA-N 0 0 194.259 2.010 10 0 AEAERN C=C/C=C/CC[C@@H](O)C(O)(CC)CC 713716440 572487321 /nfs/dbraw/zinc/48/73/21/572487321.db2.gz LAPHGIMJGFCDKY-WSKFYRRCSA-N 0 0 198.306 2.421 10 0 AEAERN CC[C@H](C)[C@H](C)n1cc(N)cn1 238264545 572487322 /nfs/dbraw/zinc/48/73/22/572487322.db2.gz WMGSJEDAPBWFSN-YUMQZZPRSA-N 0 0 167.256 2.072 10 0 AEAERN C[C@@H]1C[C@]1(C)[C@H](O)C[C@H]1CCCOC1 689456179 572487323 /nfs/dbraw/zinc/48/73/23/572487323.db2.gz CRKXWJGXTRUIDY-KKOKHZNYSA-N 0 0 198.306 2.210 10 0 AEAERN CCC[C@H](O)[C@H](C)C[C@@H]1CCCO1 238264371 572487346 /nfs/dbraw/zinc/48/73/46/572487346.db2.gz ASJITDJXNFLJFC-VWYCJHECSA-N 0 0 186.295 2.353 10 0 AEAERN CCOCC(=O)c1cc(C)ccc1F 84062936 572487362 /nfs/dbraw/zinc/48/73/62/572487362.db2.gz IGSMACXUDSLJAB-UHFFFAOYSA-N 0 0 196.221 2.353 10 0 AEAERN CCOC[C@@H](O)C1CCC(C)CC1 84063135 572487368 /nfs/dbraw/zinc/48/73/68/572487368.db2.gz ASYSZHRCGUZGPU-VQXHTEKXSA-N 0 0 186.295 2.210 10 0 AEAERN CC(C)(C)OC(=O)N1CC[C@H]2C[C@H]21 44857501 572487373 /nfs/dbraw/zinc/48/73/73/572487373.db2.gz PTEZWVYFPGDCKB-JGVFFNPUSA-N 0 0 183.251 2.016 10 0 AEAERN CCOCC(=O)c1ccc(F)cc1C 84062681 572487378 /nfs/dbraw/zinc/48/73/78/572487378.db2.gz OSBCSQKXAUJUKW-UHFFFAOYSA-N 0 0 196.221 2.353 10 0 AEAERN CC(C)n1cnc2c(C=O)scc21 74246344 572487388 /nfs/dbraw/zinc/48/73/88/572487388.db2.gz KDDVGFWSMPIUHK-UHFFFAOYSA-N 0 0 194.259 2.491 10 0 AEAERN CCC[C@@H]1C(=O)N[C@]1(C)CCC 238264570 572487428 /nfs/dbraw/zinc/48/74/28/572487428.db2.gz DCGYWSMIXWEXJJ-PSASIEDQSA-N 0 0 169.268 2.091 10 0 AEAERN CCC[C@@H](C)CC(=O)COCC 84062926 572487429 /nfs/dbraw/zinc/48/74/29/572487429.db2.gz FLFCDAOHENCCFX-SECBINFHSA-N 0 0 172.268 2.418 10 0 AEAERN CCOC[C@@H](O)CCC(C)(C)C 84063193 572487445 /nfs/dbraw/zinc/48/74/45/572487445.db2.gz MXONTKYFMNIYPH-VIFPVBQESA-N 0 0 174.284 2.210 10 0 AEAERN CCOC[C@H](O)CCC(C)(C)C 84063191 572487451 /nfs/dbraw/zinc/48/74/51/572487451.db2.gz MXONTKYFMNIYPH-SECBINFHSA-N 0 0 174.284 2.210 10 0 AEAERN O[C@H](c1ccccc1)[C@@H]1CCCOC1 62239052 572487476 /nfs/dbraw/zinc/48/74/76/572487476.db2.gz QCTZWPOFQWRTSQ-VXGBXAGGSA-N 0 0 192.258 2.147 10 0 AEAERN COc1c[nH]c(-c2ccc[nH]2)c1 141487752 572487494 /nfs/dbraw/zinc/48/74/94/572487494.db2.gz OPYBSTLMSNYMSQ-UHFFFAOYSA-N 0 0 162.192 2.018 10 0 AEAERN CCOCC(=O)C[C@@H](C)CC 84062924 572488210 /nfs/dbraw/zinc/48/82/10/572488210.db2.gz CUJPGEIFSYIHDH-QMMMGPOBSA-N 0 0 158.241 2.028 10 0 AEAERN O[C@H](c1ccccc1)[C@H]1CCCOC1 62239060 572487549 /nfs/dbraw/zinc/48/75/49/572487549.db2.gz QCTZWPOFQWRTSQ-NWDGAFQWSA-N 0 0 192.258 2.147 10 0 AEAERN CCOC[C@@H](O)c1cc(F)ccc1C 84063533 572487640 /nfs/dbraw/zinc/48/76/40/572487640.db2.gz FBPTXFKGRFZGGC-LLVKDONJSA-N 0 0 198.237 2.204 10 0 AEAERN CCOC(=O)c1ccc(C(C)(C)C)[nH]1 238262069 572487643 /nfs/dbraw/zinc/48/76/43/572487643.db2.gz RBBAKJSZMXQWDG-UHFFFAOYSA-N 0 0 195.262 2.489 10 0 AEAERN Nc1csc2oc(CC3CC3)nc12 74246341 572487653 /nfs/dbraw/zinc/48/76/53/572487653.db2.gz HFGZAPSYXSXGEG-UHFFFAOYSA-N 0 0 194.259 2.424 10 0 AEAERN CCc1ccc(N)c(C)c1 44857561 572487683 /nfs/dbraw/zinc/48/76/83/572487683.db2.gz AWFVTWKQFZGFDS-UHFFFAOYSA-N 0 0 135.210 2.140 10 0 AEAERN CCOCC(=O)CCc1cccs1 84062778 572487808 /nfs/dbraw/zinc/48/78/08/572487808.db2.gz XOIFXNBZBSULPQ-UHFFFAOYSA-N 0 0 198.287 2.286 10 0 AEAERN Nc1cc2sc(CC3CC3)nc2o1 74246338 572487817 /nfs/dbraw/zinc/48/78/17/572487817.db2.gz PQXQGGWIISJBHO-UHFFFAOYSA-N 0 0 194.259 2.424 10 0 AEAERN CCC[C@@H]1C(=O)N[C@@]1(C)CCC 238264561 572487876 /nfs/dbraw/zinc/48/78/76/572487876.db2.gz DCGYWSMIXWEXJJ-SCZZXKLOSA-N 0 0 169.268 2.091 10 0 AEAERN CCCOC[C@H](O)C1CC(C2CC2)C1 714461666 572487895 /nfs/dbraw/zinc/48/78/95/572487895.db2.gz RWEUTCBIZUDTIO-MCIGGMRASA-N 0 0 198.306 2.210 10 0 AEAERN C[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C 44857593 572487909 /nfs/dbraw/zinc/48/79/09/572487909.db2.gz ATRGITPVJHUSTL-HLTSFMKQSA-N 0 0 197.278 2.262 10 0 AEAERN CCOCC(=O)[C@H]1CCC[C@@H](C)C1 84062958 572487936 /nfs/dbraw/zinc/48/79/36/572487936.db2.gz BKZVQDOWERFNHR-ZJUUUORDSA-N 0 0 184.279 2.418 10 0 AEAERN CCCCc1cccc([C@H]([NH3+])CO)c1 238265469 572487960 /nfs/dbraw/zinc/48/79/60/572487960.db2.gz VKHBFRWLANZTEN-GFCCVEGCSA-N 0 0 193.290 2.021 10 0 AEAERN C[C@@H]1C[C@]1(C)[C@@H](O)C[C@H]1CCCOC1 689456201 572487993 /nfs/dbraw/zinc/48/79/93/572487993.db2.gz CRKXWJGXTRUIDY-WYUUTHIRSA-N 0 0 198.306 2.210 10 0 AEAERN CCOC[C@H](O)C1CCC(C)CC1 84063133 572488022 /nfs/dbraw/zinc/48/80/22/572488022.db2.gz ASYSZHRCGUZGPU-ILDUYXDCSA-N 0 0 186.295 2.210 10 0 AEAERN C[C@@H]1C[C@]1(C)[C@@H](O)C[C@@H]1CCCOC1 689456194 572488075 /nfs/dbraw/zinc/48/80/75/572488075.db2.gz CRKXWJGXTRUIDY-RHYQMDGZSA-N 0 0 198.306 2.210 10 0 AEAERN CCCCc1cccc([C@@H](C)O)n1 238265194 572488082 /nfs/dbraw/zinc/48/80/82/572488082.db2.gz PPIMXAUDCPAFKF-SECBINFHSA-N 0 0 179.263 2.478 10 0 AEAERN CC[C@@H](CCO)CC[C@@](C)(O)CC 238264568 572488122 /nfs/dbraw/zinc/48/81/22/572488122.db2.gz LUXFFEYGQYFLDX-MNOVXSKESA-N 0 0 188.311 2.336 10 0 AEAERN CCOC[C@@H](O)c1cc(C)cc(C)c1 84063550 572488164 /nfs/dbraw/zinc/48/81/64/572488164.db2.gz OCGLNUJODQRWHI-GFCCVEGCSA-N 0 0 194.274 2.373 10 0 AEAERN Cc1cn(C2C(C)(C)C2(C)C)c(N)[nH+]1 235941563 572488191 /nfs/dbraw/zinc/48/81/91/572488191.db2.gz UJTHBVYDKHPZLO-UHFFFAOYSA-N 0 0 193.294 2.381 10 0 AEAERN CCc1cccc(N)c1C 44857556 572488203 /nfs/dbraw/zinc/48/82/03/572488203.db2.gz GDJLLPTUSIUMOM-UHFFFAOYSA-N 0 0 135.210 2.140 10 0 AEAERN CCC[C@H](O)/C=C/[C@@](C)(O)C(C)C 238266454 572489450 /nfs/dbraw/zinc/48/94/50/572489450.db2.gz CJCJWVYZTVCILP-IAYMVZNDSA-N 0 0 186.295 2.111 10 0 AEAERN C=C/C=C\CC[C@@H](O)C(O)(CC)CC 713716437 572488267 /nfs/dbraw/zinc/48/82/67/572488267.db2.gz LAPHGIMJGFCDKY-SKVAFPRGSA-N 0 0 198.306 2.421 10 0 AEAERN CCn1cnc2c(C=O)c(C)sc21 74246345 572488287 /nfs/dbraw/zinc/48/82/87/572488287.db2.gz NXKMFWFVDKBYHA-UHFFFAOYSA-N 0 0 194.259 2.239 10 0 AEAERN CC[C@H](C)[C@@H](C(N)=O)C1CCCC1 238264602 572488319 /nfs/dbraw/zinc/48/83/19/572488319.db2.gz RDVHNAWYAGNXQP-WCBMZHEXSA-N 0 0 183.295 2.324 10 0 AEAERN CCOC(=O)c1cccc(O)c1CC 238266380 572490551 /nfs/dbraw/zinc/49/05/51/572490551.db2.gz REBRYDXBHKHWND-UHFFFAOYSA-N 0 0 194.230 2.131 10 0 AEAERN CC(C)=CCC[C@H](C)CC(O)O 114463725 572488371 /nfs/dbraw/zinc/48/83/71/572488371.db2.gz CLNNCMWVDNJOLS-VIFPVBQESA-N 0 0 172.268 2.070 10 0 AEAERN CO[C@@H]1CCCC[C@@]1(O)C1CCC1 234745735 572488376 /nfs/dbraw/zinc/48/83/76/572488376.db2.gz UHAYRHYHXPDZQG-GHMZBOCLSA-N 0 0 184.279 2.107 10 0 AEAERN CCCCc1cnc(C(C)=O)cn1 238266273 572489465 /nfs/dbraw/zinc/48/94/65/572489465.db2.gz QFWAQBRANLRJRO-UHFFFAOYSA-N 0 0 178.235 2.022 10 0 AEAERN CCOC(=O)c1ccc(OC(C)C)o1 238264857 572488507 /nfs/dbraw/zinc/48/85/07/572488507.db2.gz LIOWQCGYBFMRMH-UHFFFAOYSA-N 0 0 198.218 2.244 10 0 AEAERN CCC[C@H](O)[C@H](CO)[C@@H]1C=CCCC1 238264688 572488511 /nfs/dbraw/zinc/48/85/11/572488511.db2.gz ROVHBDYWZJAMKR-UTUOFQBUSA-N 0 0 198.306 2.112 10 0 AEAERN CCCCc1cccc([C@@H]([NH3+])CO)c1 238265318 572488526 /nfs/dbraw/zinc/48/85/26/572488526.db2.gz VKHBFRWLANZTEN-LBPRGKRZSA-N 0 0 193.290 2.021 10 0 AEAERN CO[C@@H]1CCCC[C@@]1(O)CC(C)C 234746281 572488533 /nfs/dbraw/zinc/48/85/33/572488533.db2.gz ZFXNVNNACCSTCF-GHMZBOCLSA-N 0 0 186.295 2.353 10 0 AEAERN CCCCc1ccc([C@@H](C)[NH3+])nc1 238264228 572488557 /nfs/dbraw/zinc/48/85/57/572488557.db2.gz ASWIJDPZXDYKCA-SECBINFHSA-N 0 0 178.279 2.444 10 0 AEAERN O[C@@H](c1ccccc1)[C@H]1CCCOC1 62239056 572488576 /nfs/dbraw/zinc/48/85/76/572488576.db2.gz QCTZWPOFQWRTSQ-RYUDHWBXSA-N 0 0 192.258 2.147 10 0 AEAERN CCCCc1ccc([C@H](C)[NH3+])nc1 238264665 572488735 /nfs/dbraw/zinc/48/87/35/572488735.db2.gz ASWIJDPZXDYKCA-VIFPVBQESA-N 0 0 178.279 2.444 10 0 AEAERN O[C@@H](c1ccccc1)[C@@H]1CCCOC1 62239047 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CC1(C)C[C@H]1Nc1ccc(Cl)nn1 45135724 572514030 /nfs/dbraw/zinc/51/40/30/572514030.db2.gz JKKFEYOABTWTML-ZCFIWIBFSA-N 0 0 197.669 2.340 10 0 AEAERN COC[C@@](O)(CCC(C)C)C(C)C 87496901 572514055 /nfs/dbraw/zinc/51/40/55/572514055.db2.gz BSESNEAHBAGMAS-NSHDSACASA-N 0 0 188.311 2.456 10 0 AEAERN CC[C@@H](C)C[C@@](O)(COC)C(C)C 87496944 572514088 /nfs/dbraw/zinc/51/40/88/572514088.db2.gz MULDVSJQDVTMOI-GHMZBOCLSA-N 0 0 188.311 2.456 10 0 AEAERN COC[C@@](O)(c1ccccc1)C(C)C 87496502 572514248 /nfs/dbraw/zinc/51/42/48/572514248.db2.gz ZEOJUNWBXNZTDK-LBPRGKRZSA-N 0 0 194.274 2.177 10 0 AEAERN COC[C@@](O)(C1CCCCC1)C1CC1 87497206 572514286 /nfs/dbraw/zinc/51/42/86/572514286.db2.gz YYFCRGFBESEHLP-GFCCVEGCSA-N 0 0 198.306 2.354 10 0 AEAERN O=C1CC[C@H]2C3CCC12CC3 196488760 572514293 /nfs/dbraw/zinc/51/42/93/572514293.db2.gz AINYNSIOHNAEOG-ZCUBBSJVSA-N 0 0 150.221 2.156 10 0 AEAERN C[C@@H](CCO)CC1=CCCCO1 308051638 572514399 /nfs/dbraw/zinc/51/43/99/572514399.db2.gz SGEMENLVSSNZID-VIFPVBQESA-N 0 0 170.252 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QUIPJXWMTJSPLP-UHFFFAOYSA-N 0 0 179.219 2.022 10 0 AEAERN CCO[C@H](C)CC[C@@H](C)C(C)=O 238280241 572514697 /nfs/dbraw/zinc/51/46/97/572514697.db2.gz VIZDQLMOHKRARP-RKDXNWHRSA-N 0 0 172.268 2.417 10 0 AEAERN COCC(C)(C)Cn1cccc1 308046719 572514699 /nfs/dbraw/zinc/51/46/99/572514699.db2.gz PSJMOXFRBZRBNS-UHFFFAOYSA-N 0 0 167.252 2.161 10 0 AEAERN CC[C@@H](C)C[C@](O)(COC)C(C)C 87496950 572514721 /nfs/dbraw/zinc/51/47/21/572514721.db2.gz MULDVSJQDVTMOI-MNOVXSKESA-N 0 0 188.311 2.456 10 0 AEAERN CCOc1ccc(C=O)c(C)c1OC 238279494 572514766 /nfs/dbraw/zinc/51/47/66/572514766.db2.gz KWSFKSZCJJTLQO-UHFFFAOYSA-N 0 0 194.230 2.215 10 0 AEAERN CC[C@@H](C(=O)c1ccccc1)[C@H](C)O 238279900 572514777 /nfs/dbraw/zinc/51/47/77/572514777.db2.gz NMNGIEJKBHQCGI-GXSJLCMTSA-N 0 0 192.258 2.276 10 0 AEAERN C=C/C=C\CCn1ccc(=O)c(C)c1 713718879 572514789 /nfs/dbraw/zinc/51/47/89/572514789.db2.gz MRFARKQRORAJRD-PLNGDYQASA-N 0 0 189.258 2.289 10 0 AEAERN CC1(C)C[C@H]1Nc1nccnc1Cl 45140337 572514820 /nfs/dbraw/zinc/51/48/20/572514820.db2.gz XTGVCJPQAZRFFH-ZCFIWIBFSA-N 0 0 197.669 2.340 10 0 AEAERN COC[C@](O)(C1CCCCC1)C1CC1 87497208 572514851 /nfs/dbraw/zinc/51/48/51/572514851.db2.gz YYFCRGFBESEHLP-LBPRGKRZSA-N 0 0 198.306 2.354 10 0 AEAERN COC[C@@](O)(CC(C)C)C(C)C 87496397 572514916 /nfs/dbraw/zinc/51/49/16/572514916.db2.gz NDHJQKIXNRYBKK-JTQLQIEISA-N 0 0 174.284 2.066 10 0 AEAERN CC[C@@H](C)N(CCO)c1ccccc1 238279867 572514937 /nfs/dbraw/zinc/51/49/37/572514937.db2.gz FYYWYGZALIJLJS-LLVKDONJSA-N 0 0 193.290 2.284 10 0 AEAERN CC(=O)[C@@H]1Cc2ccccc2N[C@H]1C 196493700 572515053 /nfs/dbraw/zinc/51/50/53/572515053.db2.gz VOPYGCQGZOHYSA-GZMMTYOYSA-N 0 0 189.258 2.248 10 0 AEAERN CC(C)SCC(=O)OC1CCC1 308046968 572515060 /nfs/dbraw/zinc/51/50/60/572515060.db2.gz PWVXWSBXQNSXNI-UHFFFAOYSA-N 0 0 188.292 2.224 10 0 AEAERN COC1=CCC=C[C@]1(C)C(C)=O 196493594 572515074 /nfs/dbraw/zinc/51/50/74/572515074.db2.gz HOANENBTQIYYIH-SNVBAGLBSA-N 0 0 166.220 2.072 10 0 AEAERN CCC(CC)[C@@](O)(COC)C(C)C 87496410 572515101 /nfs/dbraw/zinc/51/51/01/572515101.db2.gz UFPQPZQYRYDOCS-LLVKDONJSA-N 0 0 188.311 2.456 10 0 AEAERN CC1(C)C[C@@H]1Nc1cc(Cl)ncn1 45140331 572515177 /nfs/dbraw/zinc/51/51/77/572515177.db2.gz WAHFRBFAQFENNS-LURJTMIESA-N 0 0 197.669 2.340 10 0 AEAERN CCOc1ccc(OC2CCC2)cn1 238279686 572515204 /nfs/dbraw/zinc/51/52/04/572515204.db2.gz VCMCVBNHSMNUSE-UHFFFAOYSA-N 0 0 193.246 2.412 10 0 AEAERN CCCc1ccc(C(=O)OCC)[nH]1 238279342 572515288 /nfs/dbraw/zinc/51/52/88/572515288.db2.gz ZDFBBNILVUUSEG-UHFFFAOYSA-N 0 0 181.235 2.144 10 0 AEAERN CC(C)(C)[C@@H]1CC[C@H]2NC(=O)C[C@H]2C1 250676202 572515458 /nfs/dbraw/zinc/51/54/58/572515458.db2.gz BHUKTMMFWSLFOA-OPRDCNLKSA-N 0 0 195.306 2.337 10 0 AEAERN C=C/C=C/CCn1ccc(=O)c(C)c1 713718882 572515462 /nfs/dbraw/zinc/51/54/62/572515462.db2.gz MRFARKQRORAJRD-SNAWJCMRSA-N 0 0 189.258 2.289 10 0 AEAERN CCCc1ccc(CCC)c(=O)[nH]1 238280287 572515465 /nfs/dbraw/zinc/51/54/65/572515465.db2.gz OPKBUGZMOJDWTM-UHFFFAOYSA-N 0 0 179.263 2.280 10 0 AEAERN CC[C@H](C)C[C@](O)(COC)C(C)C 87496953 572515491 /nfs/dbraw/zinc/51/54/91/572515491.db2.gz MULDVSJQDVTMOI-QWRGUYRKSA-N 0 0 188.311 2.456 10 0 AEAERN CC[C@H](C)[C@@](O)(COC)C(C)C 87496781 572515543 /nfs/dbraw/zinc/51/55/43/572515543.db2.gz XMQBHXRQDDEUAR-VHSXEESVSA-N 0 0 174.284 2.066 10 0 AEAERN CC1(C)C[C@H]1Nc1cc(Cl)ncn1 45140333 572515551 /nfs/dbraw/zinc/51/55/51/572515551.db2.gz WAHFRBFAQFENNS-ZCFIWIBFSA-N 0 0 197.669 2.340 10 0 AEAERN CCCC[C@](O)(COC)C(C)C 87496139 572515567 /nfs/dbraw/zinc/51/55/67/572515567.db2.gz XHCDHMOALCMGSE-JTQLQIEISA-N 0 0 174.284 2.210 10 0 AEAERN CC(C)Oc1cccc2c1CC[C@@H]2O 62800912 572515611 /nfs/dbraw/zinc/51/56/11/572515611.db2.gz RTZUJLHSFCPSAW-NSHDSACASA-N 0 0 192.258 2.453 10 0 AEAERN CC(=O)[C@H]1Cc2ccccc2N[C@H]1C 196493745 572515613 /nfs/dbraw/zinc/51/56/13/572515613.db2.gz VOPYGCQGZOHYSA-KWQFWETISA-N 0 0 189.258 2.248 10 0 AEAERN COC[C@](O)(C(C)C)C1CCCC1 87496792 572515642 /nfs/dbraw/zinc/51/56/42/572515642.db2.gz KFTVTCOEPFQULM-NSHDSACASA-N 0 0 186.295 2.210 10 0 AEAERN CC(=O)[C@@H]1Cc2ccccc2N[C@@H]1C 196493685 572515787 /nfs/dbraw/zinc/51/57/87/572515787.db2.gz VOPYGCQGZOHYSA-LDYMZIIASA-N 0 0 189.258 2.248 10 0 AEAERN C=C/C=C\CC[C@H](O)[C@@H](C)OCC 713718575 572515839 /nfs/dbraw/zinc/51/58/39/572515839.db2.gz IELCOODGAOCOHX-UQRGBAIESA-N 0 0 184.279 2.295 10 0 AEAERN CC[C@@H](O)[C@H](F)Cc1ccccc1 238279352 572516000 /nfs/dbraw/zinc/51/60/00/572516000.db2.gz JJUFIRFFRDBCCF-GHMZBOCLSA-N 0 0 182.238 2.338 10 0 AEAERN CC(=O)[C@H]1Cc2ccccc2N[C@@H]1C 196493730 572516068 /nfs/dbraw/zinc/51/60/68/572516068.db2.gz VOPYGCQGZOHYSA-KCJUWKMLSA-N 0 0 189.258 2.248 10 0 AEAERN COC1=CCC=C[C@@]1(C)C(C)=O 196493582 572516132 /nfs/dbraw/zinc/51/61/32/572516132.db2.gz HOANENBTQIYYIH-JTQLQIEISA-N 0 0 166.220 2.072 10 0 AEAERN COC[C@@](O)(C(C)C)C1CCCC1 87496795 572516180 /nfs/dbraw/zinc/51/61/80/572516180.db2.gz KFTVTCOEPFQULM-LLVKDONJSA-N 0 0 186.295 2.210 10 0 AEAERN C1CCc2oc3c(c2CC1)CC[NH2+]C3 74271774 572516198 /nfs/dbraw/zinc/51/61/98/572516198.db2.gz GTOJOBVWCXGUSS-UHFFFAOYSA-N 0 0 191.274 2.194 10 0 AEAERN CC[C@@H](C)[C@@](O)(COC)C(C)C 87496778 572516213 /nfs/dbraw/zinc/51/62/13/572516213.db2.gz XMQBHXRQDDEUAR-NXEZZACHSA-N 0 0 174.284 2.066 10 0 AEAERN CCOC(=O)/C=C/C[C@H]1C=CCC1 308046757 572516298 /nfs/dbraw/zinc/51/62/98/572516298.db2.gz CCAJVHONYUFMGE-CYNRKNSPSA-N 0 0 180.247 2.462 10 0 AEAERN CC[C@H](C)C[C@@](O)(COC)C(C)C 87496947 572516364 /nfs/dbraw/zinc/51/63/64/572516364.db2.gz MULDVSJQDVTMOI-WDEREUQCSA-N 0 0 188.311 2.456 10 0 AEAERN CCc1ccccc1OC(=O)OC 117264439 572516365 /nfs/dbraw/zinc/51/63/65/572516365.db2.gz IPPHLXDTNAWSMX-UHFFFAOYSA-N 0 0 180.203 2.394 10 0 AEAERN Cc1ccc(C[C@H](N)C(F)(F)F)o1 74267915 572516498 /nfs/dbraw/zinc/51/64/98/572516498.db2.gz FPJGHTNVLQQXJV-ZETCQYMHSA-N 0 0 193.168 2.020 10 0 AEAERN CCC(=O)[C@H](CC)[C@H](O)CC(C)C 238281233 572516426 /nfs/dbraw/zinc/51/64/26/572516426.db2.gz KMBUGNBGTFPMGZ-GXSJLCMTSA-N 0 0 186.295 2.399 10 0 AEAERN CC[C@@H](C[C@H](C)O)c1ccccn1 238281152 572516445 /nfs/dbraw/zinc/51/64/45/572516445.db2.gz HIECEUZKBTUPGC-UWVGGRQHSA-N 0 0 179.263 2.346 10 0 AEAERN CCO[C@H](C)CC(=O)C(C)(C)C 238280025 572516527 /nfs/dbraw/zinc/51/65/27/572516527.db2.gz XPZJOWNMYNKAFW-MRVPVSSYSA-N 0 0 172.268 2.417 10 0 AEAERN Cc1ccc(C[C@@H](N)C(F)(F)F)o1 74267918 572516681 /nfs/dbraw/zinc/51/66/81/572516681.db2.gz FPJGHTNVLQQXJV-SSDOTTSWSA-N 0 0 193.168 2.020 10 0 AEAERN C/C=C\[C@H](C)[C@@H](O)CCC 307784428 572516764 /nfs/dbraw/zinc/51/67/64/572516764.db2.gz FKIOUZSHLBNVSH-LOJJWDKESA-N 0 0 142.242 2.360 10 0 AEAERN CCCc1ccc(C)cc1OC(N)=O 238279926 572516783 /nfs/dbraw/zinc/51/67/83/572516783.db2.gz MMWQEGZPVRJPFD-UHFFFAOYSA-N 0 0 193.246 2.405 10 0 AEAERN CCOC(=O)/C=C/C[C@@H]1C=CCC1 308046758 572516854 /nfs/dbraw/zinc/51/68/54/572516854.db2.gz CCAJVHONYUFMGE-NAZIUFLLSA-N 0 0 180.247 2.462 10 0 AEAERN OC[C@@H]1CCc2cc(C3CC3)oc2C1 74269284 572516962 /nfs/dbraw/zinc/51/69/62/572516962.db2.gz UEQFYJURZJKGTA-MRVPVSSYSA-N 0 0 192.258 2.254 10 0 AEAERN Cc1cc(-n2cccn2)sc1C=O 74269495 572517106 /nfs/dbraw/zinc/51/71/06/572517106.db2.gz SPMASPFERYTMRG-UHFFFAOYSA-N 0 0 192.243 2.055 10 0 AEAERN CCC[C@H]1COC[C@@H]1C(=O)CC 238280668 572516989 /nfs/dbraw/zinc/51/69/89/572516989.db2.gz ZLMXZUXUQUWMTD-IUCAKERBSA-N 0 0 170.252 2.028 10 0 AEAERN CCO[C@H](C)[C@@H](C)C(=O)CC 238283548 572517108 /nfs/dbraw/zinc/51/71/08/572517108.db2.gz XDQNVVBTTUOATI-HTQZYQBOSA-N 0 0 158.241 2.027 10 0 AEAERN c1cc2c(s1)NCCc1cnoc1-2 74269418 572517092 /nfs/dbraw/zinc/51/70/92/572517092.db2.gz SIEKQBBCDSEKDR-UHFFFAOYSA-N 0 0 192.243 2.371 10 0 AEAERN Cc1cc(-c2ccsc2C=O)n[nH]1 74269437 572517181 /nfs/dbraw/zinc/51/71/81/572517181.db2.gz DWHOJRHWWRZMRF-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN CC(C)[C@H]1CN(C)c2cc(C=O)[nH]c21 74269039 572517239 /nfs/dbraw/zinc/51/72/39/572517239.db2.gz BZTYPAMHJCBBCB-SECBINFHSA-N 0 0 192.262 2.017 10 0 AEAERN O=Cc1cc(CC2CCCCC2)[nH]n1 74269230 572517273 /nfs/dbraw/zinc/51/72/73/572517273.db2.gz VXKROBYZNBZQML-UHFFFAOYSA-N 0 0 192.262 2.345 10 0 AEAERN CC(C)(C)c1cnc(C=O)n1C1CC1 74269134 572517284 /nfs/dbraw/zinc/51/72/84/572517284.db2.gz DWTQDUBXEADQEV-UHFFFAOYSA-N 0 0 192.262 2.328 10 0 AEAERN Cc1ncc(-c2ccc(C=O)[nH]2)s1 74269527 572517338 /nfs/dbraw/zinc/51/73/38/572517338.db2.gz BLSGKZDEWDCCGI-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN Cc1cnc(-c2ccc(C=O)[nH]2)s1 74269458 572517487 /nfs/dbraw/zinc/51/74/87/572517487.db2.gz DYZZIHBJJYGHJA-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN CC[C@](C)(CO)ONc1ccccc1 238281201 572517569 /nfs/dbraw/zinc/51/75/69/572517569.db2.gz CEJDWGDIFZIDPQ-LLVKDONJSA-N 0 0 195.262 2.191 10 0 AEAERN CC(C)[C@@H]1CN(C)c2cc(C=O)[nH]c21 74269037 572517578 /nfs/dbraw/zinc/51/75/78/572517578.db2.gz BZTYPAMHJCBBCB-VIFPVBQESA-N 0 0 192.262 2.017 10 0 AEAERN Cc1c[nH]c(-c2ccsc2C=O)n1 74269435 572517586 /nfs/dbraw/zinc/51/75/86/572517586.db2.gz YQJDVNOKPKTZEU-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN CC[C@@H](O)/C=C/c1cccc(OC)c1 238283048 572517750 /nfs/dbraw/zinc/51/77/50/572517750.db2.gz CZFOGTDUQPZBFO-WSKFYRRCSA-N 0 0 192.258 2.479 10 0 AEAERN CC[C@H]([C@H](C)O)[C@@H](O)c1ccccc1 238279954 572517756 /nfs/dbraw/zinc/51/77/56/572517756.db2.gz JHRJNLCQKJWGEC-WCQGTBRESA-N 0 0 194.274 2.127 10 0 AEAERN Cc1n[nH]cc1-c1ccsc1C=O 74269438 572518642 /nfs/dbraw/zinc/51/86/42/572518642.db2.gz INUUVUYWISPJOQ-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN CCCC[NH2+]Cc1cc(C)nn1CC 84243668 572517810 /nfs/dbraw/zinc/51/78/10/572517810.db2.gz CZDGICBOCQCRRL-UHFFFAOYSA-N 0 0 195.310 2.101 10 0 AEAERN C/C=C\[C@H](C)[C@H](O)CCC 307784429 572517815 /nfs/dbraw/zinc/51/78/15/572517815.db2.gz FKIOUZSHLBNVSH-VGEAGSPOSA-N 0 0 142.242 2.360 10 0 AEAERN OC[C@H]1CCc2cc(C3CC3)oc2C1 74269286 572517870 /nfs/dbraw/zinc/51/78/70/572517870.db2.gz UEQFYJURZJKGTA-QMMMGPOBSA-N 0 0 192.258 2.254 10 0 AEAERN Cc1ccnn1-c1ccc(C=O)s1 74269507 572517995 /nfs/dbraw/zinc/51/79/95/572517995.db2.gz NONZWBPQTOJTIJ-UHFFFAOYSA-N 0 0 192.243 2.055 10 0 AEAERN Cc1ncsc1-c1cc[nH]c1C=O 74269508 572518545 /nfs/dbraw/zinc/51/85/45/572518545.db2.gz AAGDNRGSUXSCCI-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN CCCc1ccc(OC(N)=O)cc1C 238282630 572518093 /nfs/dbraw/zinc/51/80/93/572518093.db2.gz WNEKTKIUVBKPAM-UHFFFAOYSA-N 0 0 193.246 2.405 10 0 AEAERN Cc1scnc1-c1ccc(C=O)[nH]1 74269522 572518127 /nfs/dbraw/zinc/51/81/27/572518127.db2.gz HFEXIJUBLBONMU-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN CCCC(=O)CCc1cc(C)nn1C 84245454 572518138 /nfs/dbraw/zinc/51/81/38/572518138.db2.gz WGCCWQDOGCRCHX-UHFFFAOYSA-N 0 0 194.278 2.030 10 0 AEAERN Cc1csc(-c2c[nH]c(C=O)c2)n1 74269451 572518213 /nfs/dbraw/zinc/51/82/13/572518213.db2.gz OOEWXYTVBMIWOV-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN CCn1nc(C)cc1C[NH2+]C(C)(C)C 84243752 572518595 /nfs/dbraw/zinc/51/85/95/572518595.db2.gz BHSGPHQIPKQIMP-UHFFFAOYSA-N 0 0 195.310 2.100 10 0 AEAERN Cc1scnc1-c1c[nH]c(C=O)c1 74269455 572518259 /nfs/dbraw/zinc/51/82/59/572518259.db2.gz MWNUBLLBRLYMTC-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN Cc1sc(-n2cccn2)cc1C=O 74269489 572518270 /nfs/dbraw/zinc/51/82/70/572518270.db2.gz RWOVSSWMQRDBNT-UHFFFAOYSA-N 0 0 192.243 2.055 10 0 AEAERN Cc1ncsc1-c1c[nH]c(C=O)c1 74269452 572518517 /nfs/dbraw/zinc/51/85/17/572518517.db2.gz YVOWXRIWBDQNCM-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN Cc1nc(-c2ccc[nH]2)sc1C=O 74269511 572518536 /nfs/dbraw/zinc/51/85/36/572518536.db2.gz RKSPVGDBXAUIFU-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN CC[C@@H](C(C)=O)[C@H](O)C(C)(C)C 238281045 572518570 /nfs/dbraw/zinc/51/85/70/572518570.db2.gz GEPUMEJOGMKLSN-IUCAKERBSA-N 0 0 172.268 2.009 10 0 AEAERN Cc1cc(C=O)sc1-n1ccnc1 74269481 572518618 /nfs/dbraw/zinc/51/86/18/572518618.db2.gz BKWGDELXLAMJIS-UHFFFAOYSA-N 0 0 192.243 2.055 10 0 AEAERN CC[C@@H](O)/C=C/c1ccc(OC)cc1 238282986 572518621 /nfs/dbraw/zinc/51/86/21/572518621.db2.gz RHVCWCOLXZHUOI-TZOMUSMUSA-N 0 0 192.258 2.479 10 0 AEAERN O=Cc1c[nH]nc1CC1CCCCC1 74269234 572518941 /nfs/dbraw/zinc/51/89/41/572518941.db2.gz WLPCLCUOZOPUQS-UHFFFAOYSA-N 0 0 192.262 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168.236 2.294 10 0 AEAERN Cc1cnc(C=O)n1-c1cccs1 74269471 572519321 /nfs/dbraw/zinc/51/93/21/572519321.db2.gz SBOWTHOFXCSDJO-UHFFFAOYSA-N 0 0 192.243 2.055 10 0 AEAERN C/C=C\C(=O)O[C@@H](C)C(F)(F)F 308050748 572519498 /nfs/dbraw/zinc/51/94/98/572519498.db2.gz RYRAMEBRBBMZNM-XUELKZDXSA-N 0 0 182.141 2.057 10 0 AEAERN C/C=C\C(=O)O[C@@H]1CC[C@@H](C)C1 308050076 572519565 /nfs/dbraw/zinc/51/95/65/572519565.db2.gz RNMWXCWZTHKUAW-UREXNXCXSA-N 0 0 168.236 2.294 10 0 AEAERN Cc1nc(-c2ccc(C=O)[nH]2)cs1 74269519 572519739 /nfs/dbraw/zinc/51/97/39/572519739.db2.gz DAFRCNAFPFTOHX-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN c1cc2c(s1)-c1cnoc1CCN2 74269422 572519822 /nfs/dbraw/zinc/51/98/22/572519822.db2.gz JQKRFUPKQUMCQW-UHFFFAOYSA-N 0 0 192.243 2.371 10 0 AEAERN C/C=C\CCNC(=O)[C@@H](C)C1CC1 308049992 572519833 /nfs/dbraw/zinc/51/98/33/572519833.db2.gz AHMJAXQUSKGMQW-TYRPZCRBSA-N 0 0 181.279 2.115 10 0 AEAERN Cc1ncsc1-c1ccc(C=O)[nH]1 74269517 572519856 /nfs/dbraw/zinc/51/98/56/572519856.db2.gz 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/nfs/dbraw/zinc/52/07/26/572520726.db2.gz MPJBPZHVHJEVME-SNVBAGLBSA-N 0 0 179.263 2.470 10 0 AEAERN CCc1nc2cc(OC)ccc2n1C 45238399 572520803 /nfs/dbraw/zinc/52/08/03/572520803.db2.gz ZFHLWONVUNKWEV-UHFFFAOYSA-N 0 0 190.246 2.144 10 0 AEAERN CCc1ccc(OC(=O)OC)cc1O 238285020 572520834 /nfs/dbraw/zinc/52/08/34/572520834.db2.gz QVXSUEKQKDPPGL-UHFFFAOYSA-N 0 0 196.202 2.100 10 0 AEAERN Nc1ccc2c(c1)C[C@@H](C1CC1)CN2 74276826 572520836 /nfs/dbraw/zinc/52/08/36/572520836.db2.gz MJABIUHNHDLNHO-SNVBAGLBSA-N 0 0 188.274 2.263 10 0 AEAERN Cc1ccc([C@H](O)C(C)C)cn1 62949560 572521337 /nfs/dbraw/zinc/52/13/37/572521337.db2.gz ZQOVCPIRUJDHDP-SNVBAGLBSA-N 0 0 165.236 2.079 10 0 AEAERN CC[C@@](C)(O)c1ccc(C)nc1 62949254 572520915 /nfs/dbraw/zinc/52/09/15/572520915.db2.gz WKOIURLZFIKAOM-SNVBAGLBSA-N 0 0 165.236 2.008 10 0 AEAERN CCC(O)(CC)c1ccc(C)nc1 62949255 572520942 /nfs/dbraw/zinc/52/09/42/572520942.db2.gz UBYZNUHPXVFKKE-UHFFFAOYSA-N 0 0 179.263 2.398 10 0 AEAERN Cc1ccc([C@@H](O)C(C)C)cn1 62949561 572521014 /nfs/dbraw/zinc/52/10/14/572521014.db2.gz ZQOVCPIRUJDHDP-JTQLQIEISA-N 0 0 165.236 2.079 10 0 AEAERN CCc1cc(-c2ccc(C=O)[nH]2)no1 74275152 572521017 /nfs/dbraw/zinc/52/10/17/572521017.db2.gz BZSWEOGMKLOLEZ-UHFFFAOYSA-N 0 0 190.202 2.045 10 0 AEAERN CCSC[C@@H](O)[C@@H](C)SCC 238284817 572521060 /nfs/dbraw/zinc/52/10/60/572521060.db2.gz CAYDTVGUYSTAGQ-HTQZYQBOSA-N 0 0 194.365 2.242 10 0 AEAERN CC[NH2+][C@H](c1cncc(C)n1)C(C)C 238284700 572521092 /nfs/dbraw/zinc/52/10/92/572521092.db2.gz PMEOCAFZUXNDMJ-NSHDSACASA-N 0 0 193.294 2.092 10 0 AEAERN c1nc2c(ccc3nsnc32)s1 45238217 572521095 /nfs/dbraw/zinc/52/10/95/572521095.db2.gz YVTGETYVJUBQLL-UHFFFAOYSA-N 0 0 193.256 2.301 10 0 AEAERN C=C/C=C/CC[C@H](O)[C@](C)(O)CC 713719394 572521139 /nfs/dbraw/zinc/52/11/39/572521139.db2.gz KUBBSGGPTMXMQP-FQLSZKSXSA-N 0 0 184.279 2.031 10 0 AEAERN Cc1nc(C)c(-c2ccc(C=O)[nH]2)o1 74275148 572521231 /nfs/dbraw/zinc/52/12/31/572521231.db2.gz QXJWZUXPHOVGRB-UHFFFAOYSA-N 0 0 190.202 2.099 10 0 AEAERN Cc1ccc([C@H](O)C(C)(C)C)cn1 62949582 572521343 /nfs/dbraw/zinc/52/13/43/572521343.db2.gz MPJBPZHVHJEVME-JTQLQIEISA-N 0 0 179.263 2.470 10 0 AEAERN Fc1cccc2c1-c1oncc1CN2 74275196 572521344 /nfs/dbraw/zinc/52/13/44/572521344.db2.gz XJJAUAIFMMGMNO-UHFFFAOYSA-N 0 0 190.177 2.406 10 0 AEAERN C[C@H](NO)c1nc2ccccc2s1 45235775 572521485 /nfs/dbraw/zinc/52/14/85/572521485.db2.gz SDOMGOJBJGZQMY-LURJTMIESA-N 0 0 194.259 2.336 10 0 AEAERN CCOc1nc2cc(C)ccc2[nH]1 45238496 572521507 /nfs/dbraw/zinc/52/15/07/572521507.db2.gz WPLNFPQODFLHOY-UHFFFAOYSA-N 0 0 176.219 2.270 10 0 AEAERN Nc1sc(N)c2cc(Cl)ncc12 45237809 572521593 /nfs/dbraw/zinc/52/15/93/572521593.db2.gz WFNBCUXOWGNMAX-UHFFFAOYSA-N 0 0 199.666 2.114 10 0 AEAERN O=Cc1ccc(-c2cccc(F)n2)[nH]1 74275201 572521605 /nfs/dbraw/zinc/52/16/05/572521605.db2.gz SJZSBWKXAUMZRJ-UHFFFAOYSA-N 0 0 190.177 2.028 10 0 AEAERN O=Cc1cc(-c2cccnc2F)c[nH]1 74275199 572521612 /nfs/dbraw/zinc/52/16/12/572521612.db2.gz LAHDJOZZPMDMRD-UHFFFAOYSA-N 0 0 190.177 2.028 10 0 AEAERN Cc1nc([C@@H](C)N)oc1-c1ccco1 74270262 572521714 /nfs/dbraw/zinc/52/17/14/572521714.db2.gz ZUNKHDDMAZESHF-ZCFIWIBFSA-N 0 0 192.218 2.263 10 0 AEAERN CNC(=O)[C@H](C)/C=C\c1ccccc1 35144613 572521759 /nfs/dbraw/zinc/52/17/59/572521759.db2.gz ZFPCPKAUVNRGCE-HSTULFTRSA-N 0 0 189.258 2.082 10 0 AEAERN CC[C@@H](O)c1ccccc1/C=C/CO 238284966 572521770 /nfs/dbraw/zinc/52/17/70/572521770.db2.gz PQFOIFAWUIGFRJ-HOSRBBHYSA-N 0 0 192.258 2.136 10 0 AEAERN CCc1onc(-c2ccc(C)o2)c1N 74270280 572521780 /nfs/dbraw/zinc/52/17/80/572521780.db2.gz HBLUCKPZDTYEFV-UHFFFAOYSA-N 0 0 192.218 2.388 10 0 AEAERN CC(C)c1nc2cc(C=O)oc2n1C 74270329 572521792 /nfs/dbraw/zinc/52/17/92/572521792.db2.gz NCZBAEJSTRYYCP-UHFFFAOYSA-N 0 0 192.218 2.102 10 0 AEAERN CNC(=O)[C@@H](C)/C=C\c1ccccc1 35144611 572521804 /nfs/dbraw/zinc/52/18/04/572521804.db2.gz ZFPCPKAUVNRGCE-QROTZFDESA-N 0 0 189.258 2.082 10 0 AEAERN c1ncc2cc3ncsc3cc2n1 45237001 572521805 /nfs/dbraw/zinc/52/18/05/572521805.db2.gz UCDXWKAAKZGOLX-UHFFFAOYSA-N 0 0 187.227 2.240 10 0 AEAERN Cc1ccc([C@@](C)(O)C(C)C)cn1 62949257 572521821 /nfs/dbraw/zinc/52/18/21/572521821.db2.gz QLKRVKUKBLLJJM-NSHDSACASA-N 0 0 179.263 2.254 10 0 AEAERN CC[C@H](C)OCC[C@@H](C)CCO 238286306 572521837 /nfs/dbraw/zinc/52/18/37/572521837.db2.gz HBNSJJOKFLRSJQ-UWVGGRQHSA-N 0 0 174.284 2.210 10 0 AEAERN Cc1ccc([C@@H](O)c2ccco2)cn1 62949669 572521841 /nfs/dbraw/zinc/52/18/41/572521841.db2.gz UTNXXFVVPFAVSL-LLVKDONJSA-N 0 0 189.214 2.065 10 0 AEAERN CC(C)(O)C(=O)C/C(Cl)=C\Cl 307787857 572524357 /nfs/dbraw/zinc/52/43/57/572524357.db2.gz DPFSJCYODCTBAM-SNAWJCMRSA-N 0 0 197.061 2.036 10 0 AEAERN Cc1c(N)oc2nc(CC3CC3)oc12 74270292 572521902 /nfs/dbraw/zinc/52/19/02/572521902.db2.gz DPTYXWYZEDLUNR-UHFFFAOYSA-N 0 0 192.218 2.264 10 0 AEAERN Cc1cccc2c1[nH]c1ccnn12 45238577 572522028 /nfs/dbraw/zinc/52/20/28/572522028.db2.gz VOYWPOLNDWKIGN-UHFFFAOYSA-N 0 0 171.203 2.124 10 0 AEAERN CCSC[C@@H](O)[C@H](C)SCC 238284840 572522473 /nfs/dbraw/zinc/52/24/73/572522473.db2.gz 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/nfs/dbraw/zinc/52/24/62/572522462.db2.gz CTSALPCLBTXMRT-UHFFFAOYSA-N 0 0 192.218 2.098 10 0 AEAERN Cc1noc(C)c1-c1ccc(C=O)[nH]1 74275160 572522510 /nfs/dbraw/zinc/52/25/10/572522510.db2.gz BFOVBUUNLXJPDM-UHFFFAOYSA-N 0 0 190.202 2.099 10 0 AEAERN c1nc2cc3cnncc3cc2s1 45236157 572522537 /nfs/dbraw/zinc/52/25/37/572522537.db2.gz XESYZEQQHBCZHI-UHFFFAOYSA-N 0 0 187.227 2.240 10 0 AEAERN CC[C@H](C)Oc1cccc(C=O)n1 238288081 572522637 /nfs/dbraw/zinc/52/26/37/572522637.db2.gz GYAQPUJGZSYOGU-QMMMGPOBSA-N 0 0 179.219 2.071 10 0 AEAERN CC[C@H](C)OCC[C@H](C)CCO 238286334 572522649 /nfs/dbraw/zinc/52/26/49/572522649.db2.gz HBNSJJOKFLRSJQ-ZJUUUORDSA-N 0 0 174.284 2.210 10 0 AEAERN CCCC(=O)Cc1cc(C)nn1CC 84263705 572522871 /nfs/dbraw/zinc/52/28/71/572522871.db2.gz LJVQULJTNSRQBX-UHFFFAOYSA-N 0 0 194.278 2.123 10 0 AEAERN CCc1nc2cc(C=O)oc2n1CC 74270327 572522904 /nfs/dbraw/zinc/52/29/04/572522904.db2.gz CCZUWODBGIHKNY-UHFFFAOYSA-N 0 0 192.218 2.024 10 0 AEAERN CCc1nc2cc(C)ccc2n1C 45238539 572523057 /nfs/dbraw/zinc/52/30/57/572523057.db2.gz VGBUJWPTTPRHFZ-UHFFFAOYSA-N 0 0 174.247 2.444 10 0 AEAERN CCOC(=O)c1occ(C(C)C)c1N 238287411 572523096 /nfs/dbraw/zinc/52/30/96/572523096.db2.gz NWZMVJSVCWHPKC-UHFFFAOYSA-N 0 0 197.234 2.162 10 0 AEAERN Cc1nc([C@H](C)N)oc1-c1ccco1 74270264 572523144 /nfs/dbraw/zinc/52/31/44/572523144.db2.gz ZUNKHDDMAZESHF-LURJTMIESA-N 0 0 192.218 2.263 10 0 AEAERN CCC(=O)CCCc1cc(C)nn1C 84268743 572523196 /nfs/dbraw/zinc/52/31/96/572523196.db2.gz DIAAUNQYLGXWRR-UHFFFAOYSA-N 0 0 194.278 2.030 10 0 AEAERN CC[C@H](C)O[C@@H](C)C(=O)C(C)C 238286919 572523203 /nfs/dbraw/zinc/52/32/03/572523203.db2.gz KPSSTRNWVUSNJJ-IUCAKERBSA-N 0 0 172.268 2.415 10 0 AEAERN CCc1oncc1-c1ccc(C=O)[nH]1 74275155 572523224 /nfs/dbraw/zinc/52/32/24/572523224.db2.gz NUDHUSQXPRCNCV-UHFFFAOYSA-N 0 0 190.202 2.045 10 0 AEAERN CC[C@H](C)O[C@H](C)C(=O)C(C)C 238287285 572523329 /nfs/dbraw/zinc/52/33/29/572523329.db2.gz KPSSTRNWVUSNJJ-DTWKUNHWSA-N 0 0 172.268 2.415 10 0 AEAERN 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572525401 /nfs/dbraw/zinc/52/54/01/572525401.db2.gz OBPYIPFKVKYSDB-UHFFFAOYSA-N 0 0 189.218 2.126 10 0 AEAERN CC[C@H](C(C)=O)c1ccncc1 63024331 572524826 /nfs/dbraw/zinc/52/48/26/572524826.db2.gz CSKLNXMDAGWBEU-SNVBAGLBSA-N 0 0 163.220 2.164 10 0 AEAERN CN(C)C(=N)c1cc2ccccc2o1 62995202 572524921 /nfs/dbraw/zinc/52/49/21/572524921.db2.gz MINMDLIICYICPK-UHFFFAOYSA-N 0 0 188.230 2.320 10 0 AEAERN CCCC(=O)Cc1nccs1 63023308 572524955 /nfs/dbraw/zinc/52/49/55/572524955.db2.gz MAAFITCVXNOKRG-UHFFFAOYSA-N 0 0 169.249 2.055 10 0 AEAERN Cc1nc(C[C@H](C)C[C@H](C)O)cs1 84277400 572525076 /nfs/dbraw/zinc/52/50/76/572525076.db2.gz XWGGZNZFLNKYRK-SFYZADRCSA-N 0 0 199.319 2.401 10 0 AEAERN CC[C@@H](Cc1csc(C)n1)[C@H](C)O 84274658 572525255 /nfs/dbraw/zinc/52/52/55/572525255.db2.gz MZWFOKAOOZRBCO-CBAPKCEASA-N 0 0 199.319 2.401 10 0 AEAERN Cc1nc(CCC[C@@H](C)O)cs1 84277239 572525264 /nfs/dbraw/zinc/52/52/64/572525264.db2.gz DTUDBTLFCHCDJP-SSDOTTSWSA-N 0 0 185.292 2.155 10 0 AEAERN 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186.295 2.210 10 0 AEAERN CC(=O)C[C@@H](C)OCCC(C)C 84290907 572525495 /nfs/dbraw/zinc/52/54/95/572525495.db2.gz CVBNSFKFXLFSPY-SNVBAGLBSA-N 0 0 172.268 2.417 10 0 AEAERN C/C(=C\CO)c1ccsc1 307787487 572525510 /nfs/dbraw/zinc/52/55/10/572525510.db2.gz GVWZDUVGSMTRKF-FARCUNLSSA-N 0 0 154.234 2.144 10 0 AEAERN CC(=O)C[C@H](C)OCC(C)C 84290916 572525528 /nfs/dbraw/zinc/52/55/28/572525528.db2.gz LYTNYENEEFSEBA-VIFPVBQESA-N 0 0 158.241 2.027 10 0 AEAERN C/C(=C/Cl)[C@H](C)[C@@H](C)OC=O 307787010 572525783 /nfs/dbraw/zinc/52/57/83/572525783.db2.gz DCSKMQPNFDFLCL-VFYBFDEHSA-N 0 0 176.643 2.327 10 0 AEAERN Cc1cc(-c2ccn(C)c2)oc1C=O 74276453 572525826 /nfs/dbraw/zinc/52/58/26/572525826.db2.gz QXYBALKPKLEZKF-UHFFFAOYSA-N 0 0 189.214 2.406 10 0 AEAERN CCNC(=N)c1cc2ccccc2o1 62994585 572526036 /nfs/dbraw/zinc/52/60/36/572526036.db2.gz HOWGKUSFONHNRA-UHFFFAOYSA-N 0 0 188.230 2.368 10 0 AEAERN CCC(=O)CCc1csc(C)n1 84271377 572526088 /nfs/dbraw/zinc/52/60/88/572526088.db2.gz ONVCGSIDDUQIHS-UHFFFAOYSA-N 0 0 183.276 2.363 10 0 AEAERN CC[C@H](C)C[C@](O)(COC)C1CC1 87497984 572526190 /nfs/dbraw/zinc/52/61/90/572526190.db2.gz HQNYQZILTYHFGU-ONGXEEELSA-N 0 0 186.295 2.210 10 0 AEAERN O[C@@H]1CC2(CCCC2)O[C@@H]2CCC[C@H]12 250852482 572526202 /nfs/dbraw/zinc/52/62/02/572526202.db2.gz OODSKCUXHHNSHA-GMTAPVOTSA-N 0 0 196.290 2.249 10 0 AEAERN O[C@@H]1CC2(CCCC2)O[C@@H]2CCC[C@@H]12 250852484 572526206 /nfs/dbraw/zinc/52/62/06/572526206.db2.gz OODSKCUXHHNSHA-HBNTYKKESA-N 0 0 196.290 2.249 10 0 AEAERN CC1(C)Nc2ccoc2-n2cncc21 74276055 572526444 /nfs/dbraw/zinc/52/64/44/572526444.db2.gz LSKJXJRGCISQEY-UHFFFAOYSA-N 0 0 189.218 2.126 10 0 AEAERN CC(C)[C@@H](c1ccncc1)[C@@H](C)O 63037288 572526600 /nfs/dbraw/zinc/52/66/00/572526600.db2.gz QZXCLOUAHNDKIQ-MWLCHTKSSA-N 0 0 179.263 2.202 10 0 AEAERN Cc1ccc(C[C@@H](O)C(C)(C)C)nc1 63038877 572526628 /nfs/dbraw/zinc/52/66/28/572526628.db2.gz FNFBFHMRNYIIEL-LLVKDONJSA-N 0 0 193.290 2.340 10 0 AEAERN CC[C@](C)(O)/C=C/[C@H](O)c1ccco1 238289191 572526885 /nfs/dbraw/zinc/52/68/85/572526885.db2.gz FZFIURAYZDRNIM-BZGQNNPNSA-N 0 0 196.246 2.030 10 0 AEAERN CC(C)(C)[C@@H](O)Cc1nccs1 63038879 572526950 /nfs/dbraw/zinc/52/69/50/572526950.db2.gz WZZLRIPWAMVDSX-ZETCQYMHSA-N 0 0 185.292 2.093 10 0 AEAERN c1ccc(-c2cnn3c2NCCC3)cc1 250843040 572527051 /nfs/dbraw/zinc/52/70/51/572527051.db2.gz GQHLAQCNSUHAFB-UHFFFAOYSA-N 0 0 199.257 2.366 10 0 AEAERN CC[C@@H](C)[C@H](O)Cc1csc(C)n1 84272685 572527124 /nfs/dbraw/zinc/52/71/24/572527124.db2.gz JESBNKGFZLMMCP-GMSGAONNSA-N 0 0 199.319 2.401 10 0 AEAERN CC[C@H](Cc1csc(C)n1)[C@H](C)O 84274660 572527142 /nfs/dbraw/zinc/52/71/42/572527142.db2.gz MZWFOKAOOZRBCO-IONNQARKSA-N 0 0 199.319 2.401 10 0 AEAERN CC(C)[C@@H](c1ccncc1)[C@H](C)O 63037290 572527164 /nfs/dbraw/zinc/52/71/64/572527164.db2.gz QZXCLOUAHNDKIQ-GXSJLCMTSA-N 0 0 179.263 2.202 10 0 AEAERN CC(=O)C[C@H](C)OCCC(C)C 84290904 572527170 /nfs/dbraw/zinc/52/71/70/572527170.db2.gz CVBNSFKFXLFSPY-JTQLQIEISA-N 0 0 172.268 2.417 10 0 AEAERN CCC(CC)[C@](O)(COC)C1CC1 87497444 572527209 /nfs/dbraw/zinc/52/72/09/572527209.db2.gz SHZMOOVSXVVHBP-LLVKDONJSA-N 0 0 186.295 2.210 10 0 AEAERN CC[C@H](C)[C@H](O)Cc1csc(C)n1 84272687 572527242 /nfs/dbraw/zinc/52/72/42/572527242.db2.gz JESBNKGFZLMMCP-OIBJUYFYSA-N 0 0 199.319 2.401 10 0 AEAERN CCNc1ccnc(-c2ccoc2)n1 63046935 572527281 /nfs/dbraw/zinc/52/72/81/572527281.db2.gz HEWJJKXHKHEMIL-UHFFFAOYSA-N 0 0 189.218 2.168 10 0 AEAERN Cc1nc(CC[C@H](C)CO)cs1 84277375 572527312 /nfs/dbraw/zinc/52/73/12/572527312.db2.gz BNPPRPBBIINBBR-ZETCQYMHSA-N 0 0 185.292 2.013 10 0 AEAERN CC[C@](C)(O)/C=C/[C@@H](O)c1ccco1 238289153 572527314 /nfs/dbraw/zinc/52/73/14/572527314.db2.gz FZFIURAYZDRNIM-KUCBXDRKSA-N 0 0 196.246 2.030 10 0 AEAERN Cc1ccc(C[C@H](O)C(C)(C)C)nc1 63038876 572527443 /nfs/dbraw/zinc/52/74/43/572527443.db2.gz FNFBFHMRNYIIEL-NSHDSACASA-N 0 0 193.290 2.340 10 0 AEAERN Cc1nc(CCC(=O)C2CC2)cs1 84271488 572527477 /nfs/dbraw/zinc/52/74/77/572527477.db2.gz IOBQPXORPZQOKO-UHFFFAOYSA-N 0 0 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572534553 /nfs/dbraw/zinc/53/45/53/572534553.db2.gz PPHPXHCRWTXJAI-JTQLQIEISA-N 0 0 199.294 2.020 10 0 AEAERN COC[C@H](C(=O)C(C)C)C(C)C 87500707 572534563 /nfs/dbraw/zinc/53/45/63/572534563.db2.gz ISGHDQCPQGSTDH-VIFPVBQESA-N 0 0 172.268 2.130 10 0 AEAERN CCC(O)(CC)Cc1cccnc1 84334658 572534586 /nfs/dbraw/zinc/53/45/86/572534586.db2.gz MJPIVZFPGORIMG-UHFFFAOYSA-N 0 0 179.263 2.175 10 0 AEAERN CCOc1ccc([C@@H]([NH3+])C(C)C)nc1 238294093 572534694 /nfs/dbraw/zinc/53/46/94/572534694.db2.gz YBFVPFDCRMHAMT-NSHDSACASA-N 0 0 194.278 2.136 10 0 AEAERN C=C/C=C\CC(C)(C)CO 307793490 572534795 /nfs/dbraw/zinc/53/47/95/572534795.db2.gz JSFXYTISRPOPHS-WAYWQWQTSA-N 0 0 140.226 2.137 10 0 AEAERN CC[C@@H](O)/C=C\CC(C)C 307793559 572534806 /nfs/dbraw/zinc/53/48/06/572534806.db2.gz JVMYRONSMVDLBO-WILPJHFFSA-N 0 0 142.242 2.360 10 0 AEAERN O[C@@H]1CC[C@H]2SCCC[C@H]2C1 250977084 572535006 /nfs/dbraw/zinc/53/50/06/572535006.db2.gz AXKKFBBGNWBADM-DJLDLDEBSA-N 0 0 172.293 2.043 10 0 AEAERN 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/nfs/dbraw/zinc/53/66/87/572536687.db2.gz VHWCIAZYCYNYDE-JTQLQIEISA-N 0 0 199.294 2.020 10 0 AEAERN CCCC/C(Cl)=C/CC(N)=O 307793471 572536711 /nfs/dbraw/zinc/53/67/11/572536711.db2.gz IVARTHRDDBHPTH-ALCCZGGFSA-N 0 0 175.659 2.175 10 0 AEAERN CCc1onc(C(C)C)c1C(=O)OC 238294274 572536719 /nfs/dbraw/zinc/53/67/19/572536719.db2.gz AWMGYLBLEZTEJC-UHFFFAOYSA-N 0 0 197.234 2.147 10 0 AEAERN Nc1c(C2CC2)noc1-c1ccco1 74274986 572536989 /nfs/dbraw/zinc/53/69/89/572536989.db2.gz YFZGDPLIUWBPRU-UHFFFAOYSA-N 0 0 190.202 2.394 10 0 AEAERN Cc1ccc(N)cc1N(C)CC1CC1 53735144 572537009 /nfs/dbraw/zinc/53/70/09/572537009.db2.gz XYBPSWXECUGZID-UHFFFAOYSA-N 0 0 190.290 2.423 10 0 AEAERN C[C@@H]1NC(=O)CC[C@@H]1c1ccccc1 209122675 572537155 /nfs/dbraw/zinc/53/71/55/572537155.db2.gz IOEJKSTZQDNGGZ-ONGXEEELSA-N 0 0 189.258 2.069 10 0 AEAERN CSCCCNc1ccccc1N 69430474 572537374 /nfs/dbraw/zinc/53/73/74/572537374.db2.gz JVYKAPYSLHXGBM-UHFFFAOYSA-N 0 0 196.319 2.434 10 0 AEAERN Cc1coc(-c2nc(C)c(C=O)[nH]2)c1 74275123 572537338 /nfs/dbraw/zinc/53/73/38/572537338.db2.gz IJLQCSGKFJIYBY-UHFFFAOYSA-N 0 0 190.202 2.099 10 0 AEAERN CC(C)=C/C(C)=C/[C@H](C)O 307793501 572537346 /nfs/dbraw/zinc/53/73/46/572537346.db2.gz JTGJMPSNKMAKBB-ORZBULNSSA-N 0 0 140.226 2.280 10 0 AEAERN CCC(C)(C)O[C@@H](C)C[C@H](C)O 84401606 572537409 /nfs/dbraw/zinc/53/74/09/572537409.db2.gz GXOUSCASYGOJIW-IUCAKERBSA-N 0 0 174.284 2.351 10 0 AEAERN Cc1ccc(N)cc1N1CC[C@H](C)C1 53735171 572537426 /nfs/dbraw/zinc/53/74/26/572537426.db2.gz BSHXMBJWIZZRBF-VIFPVBQESA-N 0 0 190.290 2.423 10 0 AEAERN Nc1cnoc1-c1cc2c(o1)CCC2 74275047 572537444 /nfs/dbraw/zinc/53/74/44/572537444.db2.gz PALXBKOVTVELSQ-UHFFFAOYSA-N 0 0 190.202 2.006 10 0 AEAERN Cc1cc(C)c(-c2ocnc2C=O)[nH]1 74275030 572537501 /nfs/dbraw/zinc/53/75/01/572537501.db2.gz MICRJMCHLBIEQB-UHFFFAOYSA-N 0 0 190.202 2.099 10 0 AEAERN CC(C)CNc1nc(C(C)(C)C)no1 53750932 572537570 /nfs/dbraw/zinc/53/75/70/572537570.db2.gz URXZCXPPAPHSOR-UHFFFAOYSA-N 0 0 197.282 2.435 10 0 AEAERN 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197.282 2.068 10 0 AEAERN CC(C)C[C@H](O)CCCC(C)(C)O 87523100 572549448 /nfs/dbraw/zinc/54/94/48/572549448.db2.gz CDXPTHVFWFXCGS-SNVBAGLBSA-N 0 0 188.311 2.335 10 0 AEAERN CC(C)CC(=O)CCc1ncccn1 87521541 572549534 /nfs/dbraw/zinc/54/95/34/572549534.db2.gz JSNMLKKJYLTDGE-UHFFFAOYSA-N 0 0 192.262 2.024 10 0 AEAERN CC(C)CC(=O)C[C@H]1CCOC1 87521484 572549613 /nfs/dbraw/zinc/54/96/13/572549613.db2.gz PBUAROJKZDFUGF-SECBINFHSA-N 0 0 170.252 2.028 10 0 AEAERN CC(C)[C@@H]1CC[C@@H](O)[C@H](OC2CC2)C1 713282530 572549648 /nfs/dbraw/zinc/54/96/48/572549648.db2.gz CYUWFHJCINWXIB-YUSALJHKSA-N 0 0 198.306 2.351 10 0 AEAERN CC(C)(C)[C@H](O)CC1CCOCC1 53784869 572549725 /nfs/dbraw/zinc/54/97/25/572549725.db2.gz XEAZTLYFANYYFB-SNVBAGLBSA-N 0 0 186.295 2.210 10 0 AEAERN CC(C)C[C@@H](O)CCc1cscn1 87523175 572549744 /nfs/dbraw/zinc/54/97/44/572549744.db2.gz TXOAZNSOYPXHGV-JTQLQIEISA-N 0 0 199.319 2.483 10 0 AEAERN CCc1nccc(-c2ccc(N)cc2)n1 238314929 572549761 /nfs/dbraw/zinc/54/97/61/572549761.db2.gz 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C[C@H]1Cc2c(ccc(Cl)c2N)N1 713724807 572550969 /nfs/dbraw/zinc/55/09/69/572550969.db2.gz AMOACQCZNMJLEW-YFKPBYRVSA-N 0 0 182.654 2.279 10 0 AEAERN CC(C)[C@@H]1CC[C@H](O)[C@@H](OC2CC2)C1 713282529 572550988 /nfs/dbraw/zinc/55/09/88/572550988.db2.gz CYUWFHJCINWXIB-USWWRNFRSA-N 0 0 198.306 2.351 10 0 AEAERN CC[C@H](C)C(=O)Cn1nc(C)cc1C 87536240 572551038 /nfs/dbraw/zinc/55/10/38/572551038.db2.gz NKLHRDFNXRRRHK-QMMMGPOBSA-N 0 0 194.278 2.115 10 0 AEAERN CC[C@H](O)[C@H]1C=C(OC(C)=O)CCC1 238311700 572551051 /nfs/dbraw/zinc/55/10/51/572551051.db2.gz ACMQLJFGAZUQHY-KOLCDFICSA-N 0 0 198.262 2.004 10 0 AEAERN O=C(C[C@@H]1CCCO1)c1ccoc1 69630616 572551061 /nfs/dbraw/zinc/55/10/61/572551061.db2.gz CYIULLQOYVQQHB-VIFPVBQESA-N 0 0 180.203 2.031 10 0 AEAERN CCc1cc(C(=O)OC)[nH]c1C(C)C 238314209 572551090 /nfs/dbraw/zinc/55/10/90/572551090.db2.gz WSYXQYGTAFSFQO-UHFFFAOYSA-N 0 0 195.262 2.487 10 0 AEAERN O=C(CC1CCCC1)c1ccncn1 69638962 572551127 /nfs/dbraw/zinc/55/11/27/572551127.db2.gz 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/nfs/dbraw/zinc/55/22/82/572552282.db2.gz WFMRMHHILRIGCX-ZMLRMANQSA-N 0 0 194.274 2.127 10 0 AEAERN COC(=O)NCC(C)(C)C=C(C)C 238312179 572552346 /nfs/dbraw/zinc/55/23/46/572552346.db2.gz CFMKDTWBBJYHEE-UHFFFAOYSA-N 0 0 185.267 2.335 10 0 AEAERN C=C/C=C(/OCC)[C@H](O)C(C)(C)C 238314729 572552441 /nfs/dbraw/zinc/55/24/41/572552441.db2.gz PPKMZLGMZQPONK-DDXVTDLHSA-N 0 0 184.279 2.500 10 0 AEAERN COC(=O)C[C@@H](C)/C(C)=C\Cl 307800629 572552565 /nfs/dbraw/zinc/55/25/65/572552565.db2.gz OYYCEDQHJDJBIM-XOQWBGJWSA-N 0 0 176.643 2.328 10 0 AEAERN O=C(C[C@H]1CCCO1)c1ccoc1 69630618 572552612 /nfs/dbraw/zinc/55/26/12/572552612.db2.gz CYIULLQOYVQQHB-SECBINFHSA-N 0 0 180.203 2.031 10 0 AEAERN CN(c1ccccn1)c1ccccc1N 238313282 572552666 /nfs/dbraw/zinc/55/26/66/572552666.db2.gz FEDXJMSOMKAXNJ-UHFFFAOYSA-N 0 0 199.257 2.432 10 0 AEAERN CC[C@H](O)[C@H](CC)C(=S)SC 238313679 572552736 /nfs/dbraw/zinc/55/27/36/572552736.db2.gz GWNOGYJCAYKFRE-BQBZGAKWSA-N 0 0 192.349 2.474 10 0 AEAERN O[C@H](CC1CCCC1)c1ccncn1 69639036 572552836 /nfs/dbraw/zinc/55/28/36/572552836.db2.gz VATATCWSVYLTJK-LLVKDONJSA-N 0 0 192.262 2.090 10 0 AEAERN C=C/C=C(/OCC)[C@@H](O)C(C)(C)C 238314695 572552892 /nfs/dbraw/zinc/55/28/92/572552892.db2.gz PPKMZLGMZQPONK-AAXQSMANSA-N 0 0 184.279 2.500 10 0 AEAERN O[C@H](c1ccncn1)C1CCCCC1 69638608 572552982 /nfs/dbraw/zinc/55/29/82/572552982.db2.gz JTISZHPAGGAGNF-NSHDSACASA-N 0 0 192.262 2.090 10 0 AEAERN CCOC/C(C)=C\Br 307809097 572556747 /nfs/dbraw/zinc/55/67/47/572556747.db2.gz DXJWJSNMLRFBJA-XQRVVYSFSA-N 0 0 179.057 2.322 10 0 AEAERN CC[C@@H](C)C(=O)Cn1nc(C)cc1C 87536239 572553160 /nfs/dbraw/zinc/55/31/60/572553160.db2.gz NKLHRDFNXRRRHK-MRVPVSSYSA-N 0 0 194.278 2.115 10 0 AEAERN O[C@@H](c1ccncn1)C1CCCCC1 69638606 572553185 /nfs/dbraw/zinc/55/31/85/572553185.db2.gz JTISZHPAGGAGNF-LLVKDONJSA-N 0 0 192.262 2.090 10 0 AEAERN CC[C@H](O)/C=C/c1ccc(OC)cc1 238316642 572553339 /nfs/dbraw/zinc/55/33/39/572553339.db2.gz RHVCWCOLXZHUOI-ZPMKCOPCSA-N 0 0 192.258 2.479 10 0 AEAERN C/C=C\[C@@H](C)SC(=O)NC 307805792 572553386 /nfs/dbraw/zinc/55/33/86/572553386.db2.gz AZSJIICUMQVASV-WWVFMHICSA-N 0 0 159.254 2.024 10 0 AEAERN CC[C@@H](C)C(=O)Cn1cnc(C)c1C 87536429 572553410 /nfs/dbraw/zinc/55/34/10/572553410.db2.gz IOBNORNKOCHLQG-MRVPVSSYSA-N 0 0 194.278 2.115 10 0 AEAERN CC[C@@H]1CC[C@@H](O)[C@H](OC2CC2)C1 713282861 572553436 /nfs/dbraw/zinc/55/34/36/572553436.db2.gz GITNMERRCJLHMI-FBIMIBRVSA-N 0 0 184.279 2.105 10 0 AEAERN C/C=C/C=C/[C@@H](O)C1(OCC)CC1 238316406 572553454 /nfs/dbraw/zinc/55/34/54/572553454.db2.gz UXBJYOZSJIKLJJ-LTGRZJNBSA-N 0 0 182.263 2.049 10 0 AEAERN CC[C@H](CC(C)C)C(=O)COC 308061002 572553520 /nfs/dbraw/zinc/55/35/20/572553520.db2.gz YXJPHFAVJOKGIQ-SECBINFHSA-N 0 0 172.268 2.274 10 0 AEAERN CO[C@@H]1CCC[C@H](C(=O)C(C)C)C1 234765691 572553567 /nfs/dbraw/zinc/55/35/67/572553567.db2.gz XFUOVYDIJLHTBC-VHSXEESVSA-N 0 0 184.279 2.417 10 0 AEAERN C/C=C\[C@H](C)SC(=O)NC 307805793 572553561 /nfs/dbraw/zinc/55/35/61/572553561.db2.gz 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/nfs/dbraw/zinc/57/23/09/572572309.db2.gz QVCWTUNREAVJDU-UHFFFAOYSA-N 0 0 192.262 2.192 10 0 AEAERN CC[C@H](C)c1cc(CNC2CC2)no1 87547304 572572327 /nfs/dbraw/zinc/57/23/27/572572327.db2.gz QBJQPBQWWUTTFM-QMMMGPOBSA-N 0 0 194.278 2.440 10 0 AEAERN CCC(C)(C)C[C@@H](CCO)C(C)=O 713302701 572572349 /nfs/dbraw/zinc/57/23/49/572572349.db2.gz PEXCIJOELDARAA-SNVBAGLBSA-N 0 0 186.295 2.400 10 0 AEAERN CCCCC/C=C/[C@H]1CNC(=O)C1 308064995 572572486 /nfs/dbraw/zinc/57/24/86/572572486.db2.gz XSCGAGTYVWHQAL-VQCYPWCPSA-N 0 0 181.279 2.259 10 0 AEAERN Cc1cc2n(n1)[C@@H]1CCCC[C@@H]1CN2 235996276 572572500 /nfs/dbraw/zinc/57/25/00/572572500.db2.gz RVKPVWBJCJRNDT-NXEZZACHSA-N 0 0 191.278 2.348 10 0 AEAERN CNC(=O)/C=C(/C)CCC=C(C)C 114608120 572572646 /nfs/dbraw/zinc/57/26/46/572572646.db2.gz ZKQQGBOHAGHVLW-NTMALXAHSA-N 0 0 181.279 2.425 10 0 AEAERN C[C@H]1Cc2c(F)c(F)cc(F)c2N1 713726815 572572704 /nfs/dbraw/zinc/57/27/04/572572704.db2.gz JHOBWRBIDYUVPQ-BYPYZUCNSA-N 0 0 187.164 2.460 10 0 AEAERN Cc1c(CNC2CC2)noc1C1CC1 87547283 572572950 /nfs/dbraw/zinc/57/29/50/572572950.db2.gz TTXNZGJNJKZGST-UHFFFAOYSA-N 0 0 192.262 2.112 10 0 AEAERN C=C/C=C\[C@H](O)C/C=C/C 307831452 572573066 /nfs/dbraw/zinc/57/30/66/572573066.db2.gz KSSSSGUMNLXFCQ-UAFVWQJESA-N 0 0 138.210 2.056 10 0 AEAERN C[C@@H](Cc1nc(N)no1)CC(C)(C)C 84711615 572573093 /nfs/dbraw/zinc/57/30/93/572573093.db2.gz OFVCRVBLRRFBFU-ZETCQYMHSA-N 0 0 197.282 2.267 10 0 AEAERN CO[C@@H](C)CCOC(=O)CC(C)C 164059567 572573135 /nfs/dbraw/zinc/57/31/35/572573135.db2.gz UQCUZKZRNPKERZ-VIFPVBQESA-N 0 0 188.267 2.001 10 0 AEAERN CC1([C@@H](O)CCC[C@@H]2CCCO2)CC1 87550330 572573201 /nfs/dbraw/zinc/57/32/01/572573201.db2.gz QDUNXGVOIBPGAL-MNOVXSKESA-N 0 0 198.306 2.497 10 0 AEAERN CCC(C)(C)CC(=O)Cn1ccnc1 713293477 572573224 /nfs/dbraw/zinc/57/32/24/572573224.db2.gz ACXBPVGTKNIUSM-UHFFFAOYSA-N 0 0 194.278 2.279 10 0 AEAERN C=C/C=C\[C@H](O)C/C=C\C 307831450 572573225 /nfs/dbraw/zinc/57/32/25/572573225.db2.gz KSSSSGUMNLXFCQ-PXLSRSIASA-N 0 0 138.210 2.056 10 0 AEAERN CCCn1c(C)cc(Cl)cc1=O 584905981 572573267 /nfs/dbraw/zinc/57/32/67/572573267.db2.gz ATCJCXNGJCBUJV-UHFFFAOYSA-N 0 0 185.654 2.220 10 0 AEAERN CCCn1ccnc1[C@H](O)C1(C)CC1 87549503 572573352 /nfs/dbraw/zinc/57/33/52/572573352.db2.gz GVIOIEGNLYAMEA-VIFPVBQESA-N 0 0 194.278 2.127 10 0 AEAERN CCCn1nccc1[C@@H](O)C1(C)CC1 87550130 572573424 /nfs/dbraw/zinc/57/34/24/572573424.db2.gz VKHQGEFLSUYXHS-SNVBAGLBSA-N 0 0 194.278 2.127 10 0 AEAERN CCC(C)(C)C[C@H](CCO)C(C)=O 713302699 572573471 /nfs/dbraw/zinc/57/34/71/572573471.db2.gz PEXCIJOELDARAA-JTQLQIEISA-N 0 0 186.295 2.400 10 0 AEAERN Clc1ccnc(COC2CC2)c1 713291574 572573570 /nfs/dbraw/zinc/57/35/70/572573570.db2.gz SMZNJBLUTPTDNH-UHFFFAOYSA-N 0 0 183.638 2.414 10 0 AEAERN CNC(=O)Cc1ccc2cccccc1-2 238335575 572573644 /nfs/dbraw/zinc/57/36/44/572573644.db2.gz GKLVAMILQOTIAN-UHFFFAOYSA-N 0 0 199.253 2.080 10 0 AEAERN COCC1(c2nc(C)cs2)CC1 584906008 572573657 /nfs/dbraw/zinc/57/36/57/572573657.db2.gz PAJVFKOXKZOIRR-UHFFFAOYSA-N 0 0 183.276 2.130 10 0 AEAERN C[C@@H]1Cc2c(F)c(F)cc(F)c2N1 713726817 572573671 /nfs/dbraw/zinc/57/36/71/572573671.db2.gz JHOBWRBIDYUVPQ-SCSAIBSYSA-N 0 0 187.164 2.460 10 0 AEAERN CCCn1nccc1[C@H](O)C1(C)CC1 87550128 572573681 /nfs/dbraw/zinc/57/36/81/572573681.db2.gz VKHQGEFLSUYXHS-JTQLQIEISA-N 0 0 194.278 2.127 10 0 AEAERN Cc1cc2n(n1)[C@@H]1CCCC[C@H]1CN2 235996150 572573685 /nfs/dbraw/zinc/57/36/85/572573685.db2.gz RVKPVWBJCJRNDT-VHSXEESVSA-N 0 0 191.278 2.348 10 0 AEAERN Nc1ccc(COC2CC2)c(F)c1 713291155 572573768 /nfs/dbraw/zinc/57/37/68/572573768.db2.gz FOQHJWBRQRUDAO-UHFFFAOYSA-N 0 0 181.210 2.087 10 0 AEAERN CCC(CC)[C@@H](O)c1ccc[nH]1 84717820 572573788 /nfs/dbraw/zinc/57/37/88/572573788.db2.gz RDGNRPSFRLXLNP-SNVBAGLBSA-N 0 0 167.252 2.484 10 0 AEAERN Cc1c(CNC2CC2)noc1C(C)C 87547294 572573797 /nfs/dbraw/zinc/57/37/97/572573797.db2.gz RFNZRIOGPJQILV-UHFFFAOYSA-N 0 0 194.278 2.358 10 0 AEAERN CCCn1cc([C@H](O)C2(C)CC2)cn1 87549492 572573845 /nfs/dbraw/zinc/57/38/45/572573845.db2.gz MDCMJSVDTPLDBO-JTQLQIEISA-N 0 0 194.278 2.127 10 0 AEAERN Cc1cc2n(n1)[C@H]1CCCC[C@@H]1CN2 235996266 572573868 /nfs/dbraw/zinc/57/38/68/572573868.db2.gz RVKPVWBJCJRNDT-ZJUUUORDSA-N 0 0 191.278 2.348 10 0 AEAERN COC(=O)Cc1cc(C)c(C)cc1C 114550019 572573912 /nfs/dbraw/zinc/57/39/12/572573912.db2.gz IXVSOSNKJLVMIN-UHFFFAOYSA-N 0 0 192.258 2.327 10 0 AEAERN CCCn1nccc1C(=O)C1(C)CC1 87549064 572574009 /nfs/dbraw/zinc/57/40/09/572574009.db2.gz LJJOEBVQFOESFU-UHFFFAOYSA-N 0 0 192.262 2.276 10 0 AEAERN C=C/C=C/[C@H](O)C/C=C\C 307831453 572574031 /nfs/dbraw/zinc/57/40/31/572574031.db2.gz KSSSSGUMNLXFCQ-XXUUQRLESA-N 0 0 138.210 2.056 10 0 AEAERN CCCOC/C=C\Br 307830076 572574143 /nfs/dbraw/zinc/57/41/43/572574143.db2.gz YYNAHFSSFTVVQV-ARJAWSKDSA-N 0 0 179.057 2.322 10 0 AEAERN CNC(=O)/C=C(\C)CCC=C(C)C 114608118 572574218 /nfs/dbraw/zinc/57/42/18/572574218.db2.gz ZKQQGBOHAGHVLW-CSKARUKUSA-N 0 0 181.279 2.425 10 0 AEAERN CC(C)c1noc(-c2ccc[nH]2)n1 45893771 572574246 /nfs/dbraw/zinc/57/42/46/572574246.db2.gz YSITXRJXFVIDSC-UHFFFAOYSA-N 0 0 177.207 2.188 10 0 AEAERN CC[C@H](CNC#N)CC(F)(F)F 402660665 572574271 /nfs/dbraw/zinc/57/42/71/572574271.db2.gz UCPRKSZELDVVBN-LURJTMIESA-N 0 0 180.173 2.036 10 0 AEAERN C1=C(c2c[nH]cn2)c2ccccc2OC1 114549686 572574278 /nfs/dbraw/zinc/57/42/78/572574278.db2.gz UAFYPKKWXMHUDK-UHFFFAOYSA-N 0 0 198.225 2.234 10 0 AEAERN CC[C@H](C)CNC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 251523417 572574285 /nfs/dbraw/zinc/57/42/85/572574285.db2.gz AHICCTAVEDJPGF-MMWGEVLESA-N 0 0 195.306 2.195 10 0 AEAERN O=C(OC1CC1)c1cccc(F)c1F 713296735 572574310 /nfs/dbraw/zinc/57/43/10/572574310.db2.gz RQWHPYLNIALOJX-UHFFFAOYSA-N 0 0 198.168 2.284 10 0 AEAERN O[C@H](CCC[C@H]1CCCO1)CC1CC1 87581514 572574372 /nfs/dbraw/zinc/57/43/72/572574372.db2.gz IKPNCPSFUGWKNH-NEPJUHHUSA-N 0 0 198.306 2.497 10 0 AEAERN CC1(C)C([C@H](O)COC2CC2)C1(C)C 713292397 572574427 /nfs/dbraw/zinc/57/44/27/572574427.db2.gz ZXDRKDCTDWRKCG-SECBINFHSA-N 0 0 198.306 2.209 10 0 AEAERN CCCOC(=O)CSC(C)(C)C 87555451 572574466 /nfs/dbraw/zinc/57/44/66/572574466.db2.gz WMUCJBNQKJBIBW-UHFFFAOYSA-N 0 0 190.308 2.471 10 0 AEAERN O=C(Cc1nccs1)CC1CC1 87580820 572574472 /nfs/dbraw/zinc/57/44/72/572574472.db2.gz CTEPSUIDFFTLNM-UHFFFAOYSA-N 0 0 181.260 2.055 10 0 AEAERN CC[C@@H](CNC#N)CC(F)(F)F 402660666 572574505 /nfs/dbraw/zinc/57/45/05/572574505.db2.gz UCPRKSZELDVVBN-ZCFIWIBFSA-N 0 0 180.173 2.036 10 0 AEAERN O[C@@H](CC[C@H]1CCCO1)CC1CC1 87581235 572574659 /nfs/dbraw/zinc/57/46/59/572574659.db2.gz JXFIKOTXKPXZOA-WDEREUQCSA-N 0 0 184.279 2.107 10 0 AEAERN O[C@H](CC[C@@H]1CCCO1)CC1CC1 87581242 572574725 /nfs/dbraw/zinc/57/47/25/572574725.db2.gz JXFIKOTXKPXZOA-MNOVXSKESA-N 0 0 184.279 2.107 10 0 AEAERN C[C@H]1OCC(=O)[C@@H]1CC(C)(C)C 713302866 572575022 /nfs/dbraw/zinc/57/50/22/572575022.db2.gz RQSSFTMSMJIOND-HTQZYQBOSA-N 0 0 170.252 2.027 10 0 AEAERN CC(C)c1nc(CN)oc1C(C)C 74300373 572575081 /nfs/dbraw/zinc/57/50/81/572575081.db2.gz YNQFROFJFWFVTN-UHFFFAOYSA-N 0 0 182.267 2.380 10 0 AEAERN COCc1cccc(OC2CC2)c1 238337082 572575120 /nfs/dbraw/zinc/57/51/20/572575120.db2.gz WZJPVVFWIXMFQW-UHFFFAOYSA-N 0 0 178.231 2.374 10 0 AEAERN C[C@@H]1OCC(=O)[C@@H]1CC(C)(C)C 713302871 572575155 /nfs/dbraw/zinc/57/51/55/572575155.db2.gz RQSSFTMSMJIOND-JGVFFNPUSA-N 0 0 170.252 2.027 10 0 AEAERN CC[C@@H](C)CNC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 251523389 572575226 /nfs/dbraw/zinc/57/52/26/572575226.db2.gz AHICCTAVEDJPGF-CHWFTXMASA-N 0 0 195.306 2.195 10 0 AEAERN CCO[C@H]1C[C@@H]1C(=O)CC(C)(C)C 713314251 572575317 /nfs/dbraw/zinc/57/53/17/572575317.db2.gz IOKYTLLFUKFBMM-SCZZXKLOSA-N 0 0 184.279 2.417 10 0 AEAERN O=C(CC[C@@H]1CCCO1)CC1CC1 87580901 572575332 /nfs/dbraw/zinc/57/53/32/572575332.db2.gz VQHZBCXHZXXLDU-NSHDSACASA-N 0 0 182.263 2.315 10 0 AEAERN CC(C)(C)CC(=O)[C@@H]1CCCO1 713306574 572575338 /nfs/dbraw/zinc/57/53/38/572575338.db2.gz ZWMIJRVQWAEWCC-VIFPVBQESA-N 0 0 170.252 2.171 10 0 AEAERN Cc1nccc(C(=O)CC(C)(C)C)n1 713314247 572575355 /nfs/dbraw/zinc/57/53/55/572575355.db2.gz IHQYLCINHXPFJI-UHFFFAOYSA-N 0 0 192.262 2.404 10 0 AEAERN Cc1cc(C(C)C)nc(C)n1 114615248 572575381 /nfs/dbraw/zinc/57/53/81/572575381.db2.gz KXLAHYIIYXMRAT-UHFFFAOYSA-N 0 0 150.225 2.217 10 0 AEAERN CCO[C@@H](C)C(=O)CC(C)(C)C 713306062 572575403 /nfs/dbraw/zinc/57/54/03/572575403.db2.gz QLIRTCKUOQRRGG-QMMMGPOBSA-N 0 0 172.268 2.417 10 0 AEAERN C[C@H]1OCC(=O)[C@H]1CC(C)(C)C 713302874 572575414 /nfs/dbraw/zinc/57/54/14/572575414.db2.gz RQSSFTMSMJIOND-SFYZADRCSA-N 0 0 170.252 2.027 10 0 AEAERN C[C@H](C(=O)[O-])[C@H]([NH3+])CC1CCCCC1 114624111 572575474 /nfs/dbraw/zinc/57/54/74/572575474.db2.gz XEYWWNPHSHXPRQ-WCBMZHEXSA-N 0 0 199.294 2.005 10 0 AEAERN CC(C)C(C)(C)CC(=O)[C@@H](C)O 713303112 572575484 /nfs/dbraw/zinc/57/54/84/572575484.db2.gz XCFPGELFXQJRFT-MRVPVSSYSA-N 0 0 172.268 2.009 10 0 AEAERN CN(C)c1onc2ccc(F)cc12 107087005 572575617 /nfs/dbraw/zinc/57/56/17/572575617.db2.gz JVROJDFUGCFCNF-UHFFFAOYSA-N 0 0 180.182 2.033 10 0 AEAERN CC[C@@H](OC)C(=O)CC(C)(C)C 713305582 572575639 /nfs/dbraw/zinc/57/56/39/572575639.db2.gz JEDUOICIQZDZHQ-SECBINFHSA-N 0 0 172.268 2.417 10 0 AEAERN O=C(c1cc[nH]c1)C1C[C@@H]2C[C@@H]2C1 87563848 572575654 /nfs/dbraw/zinc/57/56/54/572575654.db2.gz ZSOQWUJCQNUIQE-ULKQDVFKSA-N 0 0 175.231 2.244 10 0 AEAERN CC(C)(C)CC(=O)[C@]12COC[C@H]1C2 713314276 572576337 /nfs/dbraw/zinc/57/63/37/572576337.db2.gz JBIQWNVHERENRQ-LDYMZIIASA-N 0 0 182.263 2.028 10 0 AEAERN CCO[C@H](C)C(=O)CC(C)(C)C 713306061 572575666 /nfs/dbraw/zinc/57/56/66/572575666.db2.gz QLIRTCKUOQRRGG-MRVPVSSYSA-N 0 0 172.268 2.417 10 0 AEAERN COc1nc(C)cc(C(C)(C)C)n1 114623109 572575715 /nfs/dbraw/zinc/57/57/15/572575715.db2.gz KDKJFNZXAYTNHX-UHFFFAOYSA-N 0 0 180.251 2.091 10 0 AEAERN CC(C)c1[nH]nc2ncccc12 114619853 572575741 /nfs/dbraw/zinc/57/57/41/572575741.db2.gz HZNNAXWNKACLCL-UHFFFAOYSA-N 0 0 161.208 2.081 10 0 AEAERN O[C@@H](CC[C@@H]1CCCO1)CC1CC1 87581238 572575778 /nfs/dbraw/zinc/57/57/78/572575778.db2.gz 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238358546 572609621 /nfs/dbraw/zinc/60/96/21/572609621.db2.gz GBSWWVCBFLBHKR-UHFFFAOYSA-N 0 0 196.246 2.498 10 0 AEAERN CS/C=C\C(=O)O[C@]1(C)C[C@H]1C 308073540 572609628 /nfs/dbraw/zinc/60/96/28/572609628.db2.gz BSZARESJLDEINS-LEZDYHIDSA-N 0 0 186.276 2.205 10 0 AEAERN CS/C=C/C(=O)O[C@]1(C)C[C@H]1C 308073536 572609689 /nfs/dbraw/zinc/60/96/89/572609689.db2.gz BSZARESJLDEINS-JSRGBMGHSA-N 0 0 186.276 2.205 10 0 AEAERN COc1ccsc1C 140797892 572609708 /nfs/dbraw/zinc/60/97/08/572609708.db2.gz OXHKQGRHPLZUGH-UHFFFAOYSA-N 0 0 128.196 2.065 10 0 AEAERN Cc1cc(N)sc1-n1cccc1 74305838 572609739 /nfs/dbraw/zinc/60/97/39/572609739.db2.gz HCBCRMLGKGHXLY-UHFFFAOYSA-N 0 0 178.260 2.429 10 0 AEAERN Cc1cc(-n2cccc2)sc1N 74305843 572611061 /nfs/dbraw/zinc/61/10/61/572611061.db2.gz OXPVYSDSFWLLSW-UHFFFAOYSA-N 0 0 178.260 2.429 10 0 AEAERN CS/C=C/C(=O)O[C@]1(C)C[C@@H]1C 308073532 572609866 /nfs/dbraw/zinc/60/98/66/572609866.db2.gz BSZARESJLDEINS-HXOXMVQHSA-N 0 0 186.276 2.205 10 0 AEAERN Cc1sc(N)cc1-n1cccc1 74305840 572610041 /nfs/dbraw/zinc/61/00/41/572610041.db2.gz QGKNVXSAANPBAB-UHFFFAOYSA-N 0 0 178.260 2.429 10 0 AEAERN CCCC[C@@H]1C(=O)C[C@H]1C 196658769 572610090 /nfs/dbraw/zinc/61/00/90/572610090.db2.gz DACKNCRSLNMTOP-SFYZADRCSA-N 0 0 140.226 2.402 10 0 AEAERN COc1ccc2c(c1)[nH]c1ncncc12 238357696 572610667 /nfs/dbraw/zinc/61/06/67/572610667.db2.gz OPWXFFABZSXCKO-UHFFFAOYSA-N 0 0 199.213 2.120 10 0 AEAERN Cc1cc(C)c2oncc2c1 140860286 572610689 /nfs/dbraw/zinc/61/06/89/572610689.db2.gz IOOQQZXNLCRDRN-UHFFFAOYSA-N 0 0 147.177 2.445 10 0 AEAERN CC(C)c1noc2c(C=O)coc12 74305609 572610723 /nfs/dbraw/zinc/61/07/23/572610723.db2.gz BDCRKANMXHEYIH-UHFFFAOYSA-N 0 0 179.175 2.357 10 0 AEAERN Cc1cc2nc(C=O)oc2cc1F 74305622 572610762 /nfs/dbraw/zinc/61/07/62/572610762.db2.gz ZRTBEBXPXDZCEC-UHFFFAOYSA-N 0 0 179.150 2.088 10 0 AEAERN CC[C@H](C)[C@H](O)c1c(C)ccnc1N 69941897 572613321 /nfs/dbraw/zinc/61/33/21/572613321.db2.gz WERRYOGSJDZZSG-XVKPBYJWSA-N 0 0 194.278 2.052 10 0 AEAERN 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AEAERN O=Cc1cc2c(o1)O[C@H]1CCC[C@H]21 74306620 572612049 /nfs/dbraw/zinc/61/20/49/572612049.db2.gz PIMPHNXZBHMLMA-APPZFPTMSA-N 0 0 178.187 2.121 10 0 AEAERN Cc1cccc2nc(C=O)sc12 74307161 572612139 /nfs/dbraw/zinc/61/21/39/572612139.db2.gz VTLBSUNOTRHUHN-UHFFFAOYSA-N 0 0 177.228 2.417 10 0 AEAERN Nc1cnoc1-c1ccccc1F 74306650 572612288 /nfs/dbraw/zinc/61/22/88/572612288.db2.gz WDVSZBOHDPHQJP-UHFFFAOYSA-N 0 0 178.166 2.063 10 0 AEAERN O=Cc1cc2c(o1)O[C@@H]1CCC[C@H]21 74306623 572612295 /nfs/dbraw/zinc/61/22/95/572612295.db2.gz PIMPHNXZBHMLMA-VXNVDRBHSA-N 0 0 178.187 2.121 10 0 AEAERN C[C@@H]1C[C@H]2CCCC[C@@H]2C1=O 140855991 572612306 /nfs/dbraw/zinc/61/23/06/572612306.db2.gz WPSJTCFFOSKEDA-HLTSFMKQSA-N 0 0 152.237 2.402 10 0 AEAERN Cc1ccc2oncc2c1C 140861081 572612387 /nfs/dbraw/zinc/61/23/87/572612387.db2.gz ZMUBBXPSEHHQRK-UHFFFAOYSA-N 0 0 147.177 2.445 10 0 AEAERN Cc1cc(-c2oncc2N)c(C)o1 74306559 572612388 /nfs/dbraw/zinc/61/23/88/572612388.db2.gz DNENDHKBKSWLGO-UHFFFAOYSA-N 0 0 178.191 2.134 10 0 AEAERN Cc1cnc(N)c([C@H](O)C(C)(C)C)c1 69942877 572612401 /nfs/dbraw/zinc/61/24/01/572612401.db2.gz KFFDROYEYAGJTL-VIFPVBQESA-N 0 0 194.278 2.052 10 0 AEAERN C=CC(=O)OC(C)(CC)CC 115252020 572612470 /nfs/dbraw/zinc/61/24/70/572612470.db2.gz VCNYEJFEMXFKTG-UHFFFAOYSA-N 0 0 156.225 2.294 10 0 AEAERN Cc1c(N)oc2nc(C3CC3)oc12 74306524 572612481 /nfs/dbraw/zinc/61/24/81/572612481.db2.gz ZBKXLHAWIHBFNC-UHFFFAOYSA-N 0 0 178.191 2.189 10 0 AEAERN Nc1conc1-c1ccc(F)cc1 74306645 572612552 /nfs/dbraw/zinc/61/25/52/572612552.db2.gz CNWPIXOPLREESS-UHFFFAOYSA-N 0 0 178.166 2.063 10 0 AEAERN C[C@@H]1C[C@@H]2CCCC[C@@H]2C1=O 140855628 572612556 /nfs/dbraw/zinc/61/25/56/572612556.db2.gz WPSJTCFFOSKEDA-VGMNWLOBSA-N 0 0 152.237 2.402 10 0 AEAERN Cc1cnc([C@@H](O)CC(C)(C)C)n1C 713409172 572612598 /nfs/dbraw/zinc/61/25/98/572612598.db2.gz SOQXRXCUEUTQLP-VIFPVBQESA-N 0 0 196.294 2.198 10 0 AEAERN Nc1conc1-c1cccc(F)c1 74306647 572612599 /nfs/dbraw/zinc/61/25/99/572612599.db2.gz 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/nfs/dbraw/zinc/61/28/98/572612898.db2.gz LIVGUEGVQHDMTK-MRVPVSSYSA-N 0 0 178.231 2.007 10 0 AEAERN COC(=O)CCc1cccc(F)c1C 238359206 572613041 /nfs/dbraw/zinc/61/30/41/572613041.db2.gz PGBYSRQNAKTSGK-UHFFFAOYSA-N 0 0 196.221 2.240 10 0 AEAERN Nc1cnoc1-c1cccc(F)c1 74306653 572613284 /nfs/dbraw/zinc/61/32/84/572613284.db2.gz LCZSSKHAJLFBCA-UHFFFAOYSA-N 0 0 178.166 2.063 10 0 AEAERN CCCNc1nc(-c2ccoc2)no1 69947112 572613286 /nfs/dbraw/zinc/61/32/86/572613286.db2.gz XJDNEZIDQQQEEJ-UHFFFAOYSA-N 0 0 193.206 2.152 10 0 AEAERN Cc1ccnc(N)c1[C@@H](O)C(C)(C)C 69941980 572613302 /nfs/dbraw/zinc/61/33/02/572613302.db2.gz GKUADHWWXPLFSV-SECBINFHSA-N 0 0 194.278 2.052 10 0 AEAERN O=Cc1cc2c(o1)O[C@@H]1CCC[C@@H]21 74306622 572613390 /nfs/dbraw/zinc/61/33/90/572613390.db2.gz PIMPHNXZBHMLMA-IONNQARKSA-N 0 0 178.187 2.121 10 0 AEAERN CS/C=C\CCCCO 307849618 572613484 /nfs/dbraw/zinc/61/34/84/572613484.db2.gz YPVPAWJOMZJHHJ-ALCCZGGFSA-N 0 0 146.255 2.026 10 0 AEAERN C[C@@H](O)c1cnc(-c2ccoc2)s1 69947084 572613492 /nfs/dbraw/zinc/61/34/92/572613492.db2.gz XKECDQLBZHWACS-ZCFIWIBFSA-N 0 0 195.243 2.456 10 0 AEAERN O=C(OCC1=CCCC1)C1CC1 308074978 572613494 /nfs/dbraw/zinc/61/34/94/572613494.db2.gz DXRJFNBBQCALTE-UHFFFAOYSA-N 0 0 166.220 2.050 10 0 AEAERN Cc1cnc(N)c([C@@H](O)C(C)(C)C)c1 69942878 572613511 /nfs/dbraw/zinc/61/35/11/572613511.db2.gz KFFDROYEYAGJTL-SECBINFHSA-N 0 0 194.278 2.052 10 0 AEAERN OCCc1cccc(-c2ccccn2)c1 115319096 572613649 /nfs/dbraw/zinc/61/36/49/572613649.db2.gz BNWRGFOGVJCGKA-UHFFFAOYSA-N 0 0 199.253 2.283 10 0 AEAERN CC[C@@H](C)[C@@H](O)c1c(C)ccnc1N 69941898 572613716 /nfs/dbraw/zinc/61/37/16/572613716.db2.gz WERRYOGSJDZZSG-GMSGAONNSA-N 0 0 194.278 2.052 10 0 AEAERN CC(C)CCc1ccc(C=O)cn1 74307007 572613880 /nfs/dbraw/zinc/61/38/80/572613880.db2.gz ANTKDHBYDOKRPF-UHFFFAOYSA-N 0 0 177.247 2.483 10 0 AEAERN Cc1ccnc(N)c1C(=O)CC(C)C 69942023 572613931 /nfs/dbraw/zinc/61/39/31/572613931.db2.gz KJNKBHUTMDIOPM-UHFFFAOYSA-N 0 0 192.262 2.201 10 0 AEAERN CC[C@@H](C)[C@H](O)c1c(C)ccnc1N 69941896 572613975 /nfs/dbraw/zinc/61/39/75/572613975.db2.gz WERRYOGSJDZZSG-XCBNKYQSSA-N 0 0 194.278 2.052 10 0 AEAERN CC[C@H](C)C(=O)c1c(C)ccnc1N 69942069 572613996 /nfs/dbraw/zinc/61/39/96/572613996.db2.gz BAJMAOAOILVWNL-ZETCQYMHSA-N 0 0 192.262 2.201 10 0 AEAERN Nc1cc[nH]c1CCC(F)(F)F 74306656 572614068 /nfs/dbraw/zinc/61/40/68/572614068.db2.gz NUJANBNKITVOGX-UHFFFAOYSA-N 0 0 178.157 2.092 10 0 AEAERN O=Cc1occ2c1O[C@@H]1CCC[C@@H]21 74306630 572614106 /nfs/dbraw/zinc/61/41/06/572614106.db2.gz WMUQDCGEYICDIY-POYBYMJQSA-N 0 0 178.187 2.121 10 0 AEAERN O=Cc1occ2c1O[C@H]1CCC[C@@H]21 74306628 572614239 /nfs/dbraw/zinc/61/42/39/572614239.db2.gz WMUQDCGEYICDIY-XPUUQOCRSA-N 0 0 178.187 2.121 10 0 AEAERN Nc1cnoc1-c1ccc(F)cc1 74306652 572614262 /nfs/dbraw/zinc/61/42/62/572614262.db2.gz AFVWHBWGNYSZKQ-UHFFFAOYSA-N 0 0 178.166 2.063 10 0 AEAERN Cc1ccnc(N)c1[C@H](O)C(C)(C)C 69941979 572614527 /nfs/dbraw/zinc/61/45/27/572614527.db2.gz GKUADHWWXPLFSV-VIFPVBQESA-N 0 0 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187.246 2.137 10 0 AEAERN C[C@@H](CO)C/C=C/c1ccoc1 238369015 572632608 /nfs/dbraw/zinc/63/26/08/572632608.db2.gz FMJBZPBCWLXWBF-HDMKULJXSA-N 0 0 166.220 2.311 10 0 AEAERN COC(=O)Cc1cccc(SC)c1 115774239 572632661 /nfs/dbraw/zinc/63/26/61/572632661.db2.gz CMLHTOZIQWMLLY-UHFFFAOYSA-N 0 0 196.271 2.124 10 0 AEAERN C[C@@H](CO)C/C=C/c1ccco1 238368997 572632664 /nfs/dbraw/zinc/63/26/64/572632664.db2.gz OQUUQZORLGECIR-OSOUNJMWSA-N 0 0 166.220 2.311 10 0 AEAERN CC(C)(C)CC[C@]1(CO)CCOC1 85041866 572632944 /nfs/dbraw/zinc/63/29/44/572632944.db2.gz QLPOGPQPAOEEGO-LLVKDONJSA-N 0 0 186.295 2.212 10 0 AEAERN COc1cccc(C/C=C(\F)CO)c1 115773628 572632683 /nfs/dbraw/zinc/63/26/83/572632683.db2.gz SZIVIJVBBNZPAF-POHAHGRESA-N 0 0 196.221 2.083 10 0 AEAERN CC(C)OCC[C@H](CO)C(C)C 85041013 572632687 /nfs/dbraw/zinc/63/26/87/572632687.db2.gz WSSIELORJSGMLM-SNVBAGLBSA-N 0 0 174.284 2.066 10 0 AEAERN CC[C@H]1OCc2c(C=O)cccc21 74308129 572632690 /nfs/dbraw/zinc/63/26/90/572632690.db2.gz NOYZQWBPDIXUEU-LLVKDONJSA-N 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OVFYHTYAWZIACK-SECBINFHSA-N 0 0 182.238 2.387 10 0 AEAERN CC(C)[C@H](CO)CC[C@@H]1CCCO1 85041066 572633580 /nfs/dbraw/zinc/63/35/80/572633580.db2.gz WQWIAUPTHJFLSH-QWRGUYRKSA-N 0 0 186.295 2.210 10 0 AEAERN CCC[C@@H](CO)Cc1cnc(C)s1 85040338 572633583 /nfs/dbraw/zinc/63/35/83/572633583.db2.gz HZDYMVISIXVTDP-SECBINFHSA-N 0 0 199.319 2.403 10 0 AEAERN CC[C@@](O)(c1ccco1)C(F)(F)F 54106754 572633584 /nfs/dbraw/zinc/63/35/84/572633584.db2.gz UXEBHTCFQHDDSB-SSDOTTSWSA-N 0 0 194.152 2.440 10 0 AEAERN C[C@H]1Cc2cc(Cl)c(N)cc2N1 713729273 572633624 /nfs/dbraw/zinc/63/36/24/572633624.db2.gz RVOFUJSUTIUHON-YFKPBYRVSA-N 0 0 182.654 2.279 10 0 AEAERN CC[C@H](CO)Cc1cnc(C)s1 85041287 572633628 /nfs/dbraw/zinc/63/36/28/572633628.db2.gz DPKVHEHGLKZNQP-QMMMGPOBSA-N 0 0 185.292 2.013 10 0 AEAERN COc1cccc(CCO)c1C(C)C 238369151 572633651 /nfs/dbraw/zinc/63/36/51/572633651.db2.gz UAKFGQKYOQAUCQ-UHFFFAOYSA-N 0 0 194.274 2.353 10 0 AEAERN Cc1oc(-n2cccc2)cc1C=O 74308959 572633733 /nfs/dbraw/zinc/63/37/33/572633733.db2.gz CKSRRTUSDDEQCV-UHFFFAOYSA-N 0 0 175.187 2.191 10 0 AEAERN Cc1cc(C=O)oc1-n1cccc1 74308957 572633852 /nfs/dbraw/zinc/63/38/52/572633852.db2.gz RARVEYBZIVBURI-UHFFFAOYSA-N 0 0 175.187 2.191 10 0 AEAERN Cc1cc(-n2cccc2)oc1C=O 74308962 572633914 /nfs/dbraw/zinc/63/39/14/572633914.db2.gz KVXGBUNYPVGFOU-UHFFFAOYSA-N 0 0 175.187 2.191 10 0 AEAERN CO[C@@H](C)[C@@H](OC)c1ccccc1O 238369499 572635247 /nfs/dbraw/zinc/63/52/47/572635247.db2.gz RNURUZQFCXJYPX-GZMMTYOYSA-N 0 0 196.246 2.115 10 0 AEAERN O=Cc1cnc2cccc(F)c2c1 74308973 572634179 /nfs/dbraw/zinc/63/41/79/572634179.db2.gz RFBTZZGTULNYMQ-UHFFFAOYSA-N 0 0 175.162 2.186 10 0 AEAERN COC1(/C=C\[C@H](C)O)CCCCC1 319247797 572634286 /nfs/dbraw/zinc/63/42/86/572634286.db2.gz XUHVSZRRUCDICP-MBACFSSFSA-N 0 0 184.279 2.273 10 0 AEAERN C[C@@H](CCO)COc1ccccc1 238367641 572634379 /nfs/dbraw/zinc/63/43/79/572634379.db2.gz PHJSQAHCSNBLFV-JTQLQIEISA-N 0 0 180.247 2.084 10 0 AEAERN C[C@@H](CCO)OC1(C)CCCCC1 238368912 572634458 /nfs/dbraw/zinc/63/44/58/572634458.db2.gz PLTVCKGMEAQDQN-JTQLQIEISA-N 0 0 186.295 2.497 10 0 AEAERN CC[C@H](c1ccco1)n1nccc1N 54106690 572634570 /nfs/dbraw/zinc/63/45/70/572634570.db2.gz JVXGJRNCIVEWHV-MRVPVSSYSA-N 0 0 191.234 2.058 10 0 AEAERN CC(=O)c1cc(C[C@@H](C)CO)cs1 238372739 572634650 /nfs/dbraw/zinc/63/46/50/572634650.db2.gz JNZVJKPWNCRHHS-SSDOTTSWSA-N 0 0 198.287 2.122 10 0 AEAERN Cc1cnnc(N[C@H]2CCC[C@H]2C)c1 235271412 572634783 /nfs/dbraw/zinc/63/47/83/572634783.db2.gz FUGQSXDKNFKPFM-ZJUUUORDSA-N 0 0 191.278 2.386 10 0 AEAERN CSCOc1ccccc1C=O 238369568 572635107 /nfs/dbraw/zinc/63/51/07/572635107.db2.gz HCEBRGAWDKAGSU-UHFFFAOYSA-N 0 0 182.244 2.198 10 0 AEAERN C[C@H]1C[C@H](C(=O)C(C)(C)O)CC[C@H]1C 235274465 572635472 /nfs/dbraw/zinc/63/54/72/572635472.db2.gz MWQGORBTEQCJTL-KXUCPTDWSA-N 0 0 198.306 2.399 10 0 AEAERN CCc1c(C=O)oc2ccncc12 74308950 572635652 /nfs/dbraw/zinc/63/56/52/572635652.db2.gz IZRNAIOQOXIYDJ-UHFFFAOYSA-N 0 0 175.187 2.203 10 0 AEAERN Cc1coc(-c2ccc(C=O)[nH]2)c1 74308963 572635715 /nfs/dbraw/zinc/63/57/15/572635715.db2.gz NSEJAYBYBXILBL-UHFFFAOYSA-N 0 0 175.187 2.396 10 0 AEAERN C[C@@H]1CC(C)(C)C[C@@]1(O)C1=CCCO1 235272566 572635716 /nfs/dbraw/zinc/63/57/16/572635716.db2.gz JLSZAQNHCUMEPB-SKDRFNHKSA-N 0 0 196.290 2.478 10 0 AEAERN Cc1ccc(-c2oncc2N)cc1 74309281 572635772 /nfs/dbraw/zinc/63/57/72/572635772.db2.gz FWDJFSQWBZBRJG-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN FC(F)(F)CNCC1(C2CC2)CC1 236115160 572635807 /nfs/dbraw/zinc/63/58/07/572635807.db2.gz XSIQEMFIIWTNSG-UHFFFAOYSA-N 0 0 193.212 2.329 10 0 AEAERN O=Cc1cc[nH]c1Cc1ccco1 74308946 572635898 /nfs/dbraw/zinc/63/58/98/572635898.db2.gz YODXGIOXFRRPGZ-UHFFFAOYSA-N 0 0 175.187 2.011 10 0 AEAERN C[C@@H](CO)CCC1=CCCCO1 238370139 572635940 /nfs/dbraw/zinc/63/59/40/572635940.db2.gz LIALDLGEPLSKQI-SECBINFHSA-N 0 0 170.252 2.089 10 0 AEAERN CC[C@H](C)C[C@H](O)c1ncc(C)n1C 713439715 572636051 /nfs/dbraw/zinc/63/60/51/572636051.db2.gz XYLPNCXZBLUMDT-WPRPVWTQSA-N 0 0 196.294 2.198 10 0 AEAERN CCc1cncc2c(C=O)coc12 74308945 572636266 /nfs/dbraw/zinc/63/62/66/572636266.db2.gz BWSALQBKXSDMGP-UHFFFAOYSA-N 0 0 175.187 2.203 10 0 AEAERN Cc1ccc(-c2ccc(C=O)[nH]2)o1 74308964 572636381 /nfs/dbraw/zinc/63/63/81/572636381.db2.gz XJGUYZHVSFGJNH-UHFFFAOYSA-N 0 0 175.187 2.396 10 0 AEAERN CC[C@](O)(c1ccco1)C(F)(F)F 54106755 572636427 /nfs/dbraw/zinc/63/64/27/572636427.db2.gz UXEBHTCFQHDDSB-ZETCQYMHSA-N 0 0 194.152 2.440 10 0 AEAERN CO[C@@H](CCO)c1ccc(C)cc1 238377587 572636936 /nfs/dbraw/zinc/63/69/36/572636936.db2.gz CKMUJJBRKBBRKU-NSHDSACASA-N 0 0 180.247 2.065 10 0 AEAERN CC[C@H]1C=CC=CCC(=O)C1 307851445 572636846 /nfs/dbraw/zinc/63/68/46/572636846.db2.gz ACEXAELJCOBDJM-VIFPVBQESA-N 0 0 150.221 2.488 10 0 AEAERN CC(C)c1cccc2c1C(=O)CO2 714116192 572637239 /nfs/dbraw/zinc/63/72/39/572637239.db2.gz TWHNOCZXONQULF-UHFFFAOYSA-N 0 0 176.215 2.385 10 0 AEAERN CO[C@@H](CCO)c1ccccc1C 238377660 572637374 /nfs/dbraw/zinc/63/73/74/572637374.db2.gz WYJUQGLADKEDJW-NSHDSACASA-N 0 0 180.247 2.065 10 0 AEAERN O=C1CCc2c(Cl)cc(O)cc2C1 714116273 572637619 /nfs/dbraw/zinc/63/76/19/572637619.db2.gz VUJOPTMDHQLNEF-UHFFFAOYSA-N 0 0 196.633 2.103 10 0 AEAERN CCC/C=C/COC(=O)CSC 308083836 572637757 /nfs/dbraw/zinc/63/77/57/572637757.db2.gz LSPYUDXDZCUXEZ-AATRIKPKSA-N 0 0 188.292 2.249 10 0 AEAERN CO[C@](CO)(c1ccccc1)C(C)C 238376052 572637796 /nfs/dbraw/zinc/63/77/96/572637796.db2.gz AJFZQKWBSVKWCD-LBPRGKRZSA-N 0 0 194.274 2.177 10 0 AEAERN C[C@@H]1C[C@]1(O)c1ccoc1Cl 235279548 572637824 /nfs/dbraw/zinc/63/78/24/572637824.db2.gz QKZXKFJZXUYLMY-SVGQVSJJSA-N 0 0 172.611 2.160 10 0 AEAERN CCCOCc1ncc(C(C)=O)s1 54159150 572637907 /nfs/dbraw/zinc/63/79/07/572637907.db2.gz JAVDSWFDJHMDJJ-UHFFFAOYSA-N 0 0 199.275 2.272 10 0 AEAERN C[C@@H]1C[C@]1(O)c1ccc(Cl)o1 235279040 572638225 /nfs/dbraw/zinc/63/82/25/572638225.db2.gz OSCIGJLENSULJZ-SVGQVSJJSA-N 0 0 172.611 2.160 10 0 AEAERN CO[C@@](C)(C[C@H](C)O)c1ccccc1 238375650 572638485 /nfs/dbraw/zinc/63/84/85/572638485.db2.gz OPSNKBROEZBBHG-JQWIXIFHSA-N 0 0 194.274 2.319 10 0 AEAERN COCOC1(c2nccs2)CCC1 115956864 572638574 /nfs/dbraw/zinc/63/85/74/572638574.db2.gz PYNAIDOJTJGDKR-UHFFFAOYSA-N 0 0 199.275 2.143 10 0 AEAERN CO[C@@H](CCO)c1cccc(C)c1 238377620 572638879 /nfs/dbraw/zinc/63/88/79/572638879.db2.gz AHFZUXRVOOOGSK-NSHDSACASA-N 0 0 180.247 2.065 10 0 AEAERN Cc1ccnn1-c1ccc(F)cc1F 48218351 572638880 /nfs/dbraw/zinc/63/88/80/572638880.db2.gz YLCOSRBCQCKEKR-UHFFFAOYSA-N 0 0 194.184 2.459 10 0 AEAERN O=C1CCc2cc(Cl)c(O)cc2C1 714116282 572638891 /nfs/dbraw/zinc/63/88/91/572638891.db2.gz WFCYPHSMISJPII-UHFFFAOYSA-N 0 0 196.633 2.103 10 0 AEAERN C[C@@H]1CC(C)(C)C[C@@]1(O)[C@@H]1CCOC1 235279408 572638898 /nfs/dbraw/zinc/63/88/98/572638898.db2.gz AINACEGEZGWEKY-FOGDFJRCSA-N 0 0 198.306 2.210 10 0 AEAERN COc1cc(OC)cc(OC2CC2)c1 238376957 572639035 /nfs/dbraw/zinc/63/90/35/572639035.db2.gz IHBWOAGHMAMCFK-UHFFFAOYSA-N 0 0 194.230 2.245 10 0 AEAERN C=C=CCc1cc(OC)ccc1C=O 238377149 572639040 /nfs/dbraw/zinc/63/90/40/572639040.db2.gz ZTEFAOPQSYSTDR-UHFFFAOYSA-N 0 0 188.226 2.391 10 0 AEAERN Cc1ccccc1-n1nccc1C 48218364 572639261 /nfs/dbraw/zinc/63/92/61/572639261.db2.gz FHMCTOSANRMMKD-UHFFFAOYSA-N 0 0 172.231 2.489 10 0 AEAERN CCC/C=C\COC(=O)CSC 308083837 572639535 /nfs/dbraw/zinc/63/95/35/572639535.db2.gz LSPYUDXDZCUXEZ-WAYWQWQTSA-N 0 0 188.292 2.249 10 0 AEAERN C/C=C\CCNC(=O)OCC(C)C 308083409 572639632 /nfs/dbraw/zinc/63/96/32/572639632.db2.gz BWYBEEUIWZTIBC-PLNGDYQASA-N 0 0 185.267 2.335 10 0 AEAERN OCCC/C=C\c1ccccc1O 308083695 572640286 /nfs/dbraw/zinc/64/02/86/572640286.db2.gz PXSQXCPWYYQJGQ-KXFIGUGUSA-N 0 0 178.231 2.178 10 0 AEAERN Cc1cccc2c1NC(=O)[C@]21C[C@H]1C 235280185 572640358 /nfs/dbraw/zinc/64/03/58/572640358.db2.gz ZPRZXZUIUPSRSU-PELKAZGASA-N 0 0 187.242 2.225 10 0 AEAERN COc1cccc([C@H]2CCC2=O)c1 238411202 572640574 /nfs/dbraw/zinc/64/05/74/572640574.db2.gz FDAZDYMMDJGHEA-SNVBAGLBSA-N 0 0 176.215 2.142 10 0 AEAERN CC(C)Oc1cccc2c1C(=O)CO2 714116013 572640926 /nfs/dbraw/zinc/64/09/26/572640926.db2.gz HMTZRUGLGMKDBO-UHFFFAOYSA-N 0 0 192.214 2.049 10 0 AEAERN Cc1ccccc1-n1ncc(N)c1C 48218400 572641733 /nfs/dbraw/zinc/64/17/33/572641733.db2.gz XEJGWNANSYXVOB-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN O=Cc1cccn1CC1(C2CC2)CC1 236406942 572641831 /nfs/dbraw/zinc/64/18/31/572641831.db2.gz XEBOMNNBGFWXNZ-UHFFFAOYSA-N 0 0 189.258 2.491 10 0 AEAERN CN[C@H]([C@H](C)C(C)C)C(F)(F)F 308081806 572642307 /nfs/dbraw/zinc/64/23/07/572642307.db2.gz JUQNBWZXVGMTEX-RNFRBKRXSA-N 0 0 183.217 2.429 10 0 AEAERN CCCCC[C@@](C)(O)c1ccnn1C 87649495 572642678 /nfs/dbraw/zinc/64/26/78/572642678.db2.gz DIYNIJCLZYFCBM-LLVKDONJSA-N 0 0 196.294 2.208 10 0 AEAERN CN[C@@H]([C@@H](C)C(C)C)C(F)(F)F 308081801 572642701 /nfs/dbraw/zinc/64/27/01/572642701.db2.gz JUQNBWZXVGMTEX-BQBZGAKWSA-N 0 0 183.217 2.429 10 0 AEAERN CCCCC[C@](C)(O)c1cnccn1 87649500 572642709 /nfs/dbraw/zinc/64/27/09/572642709.db2.gz JHLGKJCGPJIHAB-NSHDSACASA-N 0 0 194.278 2.264 10 0 AEAERN CCC[C@@](C)(O)CC[C@@H]1CCCO1 87648658 572642874 /nfs/dbraw/zinc/64/28/74/572642874.db2.gz WBJSQWJDTAQNNM-WDEREUQCSA-N 0 0 186.295 2.497 10 0 AEAERN CCC[C@](C)(O)CC[C@H]1CCCO1 87648659 572643004 /nfs/dbraw/zinc/64/30/04/572643004.db2.gz WBJSQWJDTAQNNM-MNOVXSKESA-N 0 0 186.295 2.497 10 0 AEAERN CC/C(=C\c1c(C)noc1C)[N+](=O)[O-] 70125324 572643050 /nfs/dbraw/zinc/64/30/50/572643050.db2.gz KNIOKLFUCIVPLX-VMPITWQZSA-N 0 0 196.206 2.319 10 0 AEAERN CCCCC[C@](C)(O)c1cncnc1 87649125 572643117 /nfs/dbraw/zinc/64/31/17/572643117.db2.gz PUKRWKJKMRZKBC-NSHDSACASA-N 0 0 194.278 2.264 10 0 AEAERN CCCCC[C@@](C)(O)c1cnccn1 87649501 572643184 /nfs/dbraw/zinc/64/31/84/572643184.db2.gz JHLGKJCGPJIHAB-LLVKDONJSA-N 0 0 194.278 2.264 10 0 AEAERN CO[C@@H](CC(=O)C(C)C)C(C)C 238374490 572643249 /nfs/dbraw/zinc/64/32/49/572643249.db2.gz DZZQBKOHEIQYFI-JTQLQIEISA-N 0 0 172.268 2.273 10 0 AEAERN CCCCC[C@@](C)(O)c1cnn(C)c1 87649080 572643275 /nfs/dbraw/zinc/64/32/75/572643275.db2.gz JEVOFYKNWSHHAK-LLVKDONJSA-N 0 0 196.294 2.208 10 0 AEAERN FCCCN1CCC[C@@H]1C(F)F 308082759 572643328 /nfs/dbraw/zinc/64/33/28/572643328.db2.gz KUEXGUBYTSTYCE-SSDOTTSWSA-N 0 0 181.201 2.076 10 0 AEAERN CCCCC[C@@](C)(O)[C@H]1CCOC1 87648956 572643495 /nfs/dbraw/zinc/64/34/95/572643495.db2.gz PBEFSVLVESHPQX-WDEREUQCSA-N 0 0 186.295 2.354 10 0 AEAERN CCC[C@](C)(O)Cc1ccccn1 87648755 572643862 /nfs/dbraw/zinc/64/38/62/572643862.db2.gz UOOHSYUHEAOEBS-NSHDSACASA-N 0 0 179.263 2.175 10 0 AEAERN CCC[C@@](C)(O)CC[C@H]1CCCO1 87648660 572643877 /nfs/dbraw/zinc/64/38/77/572643877.db2.gz WBJSQWJDTAQNNM-GHMZBOCLSA-N 0 0 186.295 2.497 10 0 AEAERN CN[C@H]([C@@H](C)C(C)C)C(F)(F)F 308081803 572643939 /nfs/dbraw/zinc/64/39/39/572643939.db2.gz JUQNBWZXVGMTEX-NKWVEPMBSA-N 0 0 183.217 2.429 10 0 AEAERN CCCCC[C@](C)([NH2+]C1CC1)C(=O)[O-] 87648681 572644105 /nfs/dbraw/zinc/64/41/05/572644105.db2.gz PWBRQWRXRBXUQO-NSHDSACASA-N 0 0 199.294 2.162 10 0 AEAERN OC/C=C\c1cccc2cc[nH]c12 308082570 572644143 /nfs/dbraw/zinc/64/41/43/572644143.db2.gz RRZJXVKYBPERGR-DJWKRKHSSA-N 0 0 173.215 2.173 10 0 AEAERN CN[C@@H]([C@H](C)C(C)C)C(F)(F)F 308081811 572644282 /nfs/dbraw/zinc/64/42/82/572644282.db2.gz JUQNBWZXVGMTEX-RQJHMYQMSA-N 0 0 183.217 2.429 10 0 AEAERN CCCCC[C@](C)(O)[C@@H]1CCOC1 87648953 572644316 /nfs/dbraw/zinc/64/43/16/572644316.db2.gz PBEFSVLVESHPQX-MNOVXSKESA-N 0 0 186.295 2.354 10 0 AEAERN CCC[C@](C)(O)Cc1ccncc1 87648855 572644348 /nfs/dbraw/zinc/64/43/48/572644348.db2.gz GGDDHNPOARNSKL-NSHDSACASA-N 0 0 179.263 2.175 10 0 AEAERN CCCn1nccc1[C@@](C)(O)CCC 87649293 572644424 /nfs/dbraw/zinc/64/44/24/572644424.db2.gz YRNWHRRHQCJSAY-NSHDSACASA-N 0 0 196.294 2.301 10 0 AEAERN CCCCC[C@](C)(O)c1cnn(C)c1 87649079 572644447 /nfs/dbraw/zinc/64/44/47/572644447.db2.gz JEVOFYKNWSHHAK-NSHDSACASA-N 0 0 196.294 2.208 10 0 AEAERN CCC[C@@](C)(O)Cc1ccncc1 87648856 572644565 /nfs/dbraw/zinc/64/45/65/572644565.db2.gz GGDDHNPOARNSKL-LLVKDONJSA-N 0 0 179.263 2.175 10 0 AEAERN CCCCC[C@](C)(O)COCC 87649513 572644570 /nfs/dbraw/zinc/64/45/70/572644570.db2.gz FNSGVUSKRHHMPV-JTQLQIEISA-N 0 0 174.284 2.354 10 0 AEAERN CCCCC[C@](C)(O)[C@H]1CCOC1 87648955 572644626 /nfs/dbraw/zinc/64/46/26/572644626.db2.gz PBEFSVLVESHPQX-QWRGUYRKSA-N 0 0 186.295 2.354 10 0 AEAERN C/C=C(/CO)C[Si](C)(C)C 207691679 572644748 /nfs/dbraw/zinc/64/47/48/572644748.db2.gz SVBQIVPVGJXLHA-YVMONPNESA-N 0 0 158.317 2.263 10 0 AEAERN CCCn1cc([C@@](C)(O)CCC)cn1 87648505 572644809 /nfs/dbraw/zinc/64/48/09/572644809.db2.gz XTMMVLHOTMYWGV-NSHDSACASA-N 0 0 196.294 2.301 10 0 AEAERN CCCCC[C@@](C)(O)c1cncnc1 87649126 572644843 /nfs/dbraw/zinc/64/48/43/572644843.db2.gz PUKRWKJKMRZKBC-LLVKDONJSA-N 0 0 194.278 2.264 10 0 AEAERN C/C=C\CCNc1ccc(N)cn1 308082223 572644854 /nfs/dbraw/zinc/64/48/54/572644854.db2.gz ACJXUOWVNAIASG-IHWYPQMZSA-N 0 0 177.251 2.042 10 0 AEAERN CCC[C@@](C)(O)Cc1ccccn1 87648756 572644869 /nfs/dbraw/zinc/64/48/69/572644869.db2.gz UOOHSYUHEAOEBS-LLVKDONJSA-N 0 0 179.263 2.175 10 0 AEAERN CCC[C@](C)(O)CC[C@@H]1CCCO1 87648657 572644884 /nfs/dbraw/zinc/64/48/84/572644884.db2.gz WBJSQWJDTAQNNM-QWRGUYRKSA-N 0 0 186.295 2.497 10 0 AEAERN CCC[C@](C)(O)Cc1nccs1 87648625 572644887 /nfs/dbraw/zinc/64/48/87/572644887.db2.gz TVOHMGULZXCKOU-VIFPVBQESA-N 0 0 185.292 2.237 10 0 AEAERN CCCn1nccc1[C@](C)(O)CCC 87649294 572644953 /nfs/dbraw/zinc/64/49/53/572644953.db2.gz YRNWHRRHQCJSAY-LLVKDONJSA-N 0 0 196.294 2.301 10 0 AEAERN C/C=C\CCNc1ccnc(C)n1 308082267 572645063 /nfs/dbraw/zinc/64/50/63/572645063.db2.gz AFMFAVHBOUYOEP-ARJAWSKDSA-N 0 0 177.251 2.163 10 0 AEAERN Nc1c(Cl)ccc2c1CCCC2=O 714117268 572645172 /nfs/dbraw/zinc/64/51/72/572645172.db2.gz TWJMYEQLKMDQAO-UHFFFAOYSA-N 0 0 195.649 2.441 10 0 AEAERN CCCn1ccnc1[C@@](C)(O)CCC 87649291 572645296 /nfs/dbraw/zinc/64/52/96/572645296.db2.gz ZPJCZOCGPHQINY-NSHDSACASA-N 0 0 196.294 2.301 10 0 AEAERN CCCCC[C@@](C)(O)c1nccn1C 87649461 572645309 /nfs/dbraw/zinc/64/53/09/572645309.db2.gz SXVBWUUFTYYBDJ-LLVKDONJSA-N 0 0 196.294 2.208 10 0 AEAERN CCCCC[C@](C)([NH2+]CC)C(=O)[O-] 87648675 572645414 /nfs/dbraw/zinc/64/54/14/572645414.db2.gz VVGSBBKZYOESSA-JTQLQIEISA-N 0 0 187.283 2.020 10 0 AEAERN C[C@@H](O)/C=C/CC(=O)c1ccccc1 238379528 572645429 /nfs/dbraw/zinc/64/54/29/572645429.db2.gz UMZWHJMMBPBEFY-BRAIEQGRSA-N 0 0 190.242 2.196 10 0 AEAERN CCC[C@@](C)(O)CC1CCOCC1 87648510 572645487 /nfs/dbraw/zinc/64/54/87/572645487.db2.gz XTMSLRICURNGSR-LLVKDONJSA-N 0 0 186.295 2.354 10 0 AEAERN CCCCC[C@@](C)([NH2+]CC)C(=O)[O-] 87648676 572645696 /nfs/dbraw/zinc/64/56/96/572645696.db2.gz VVGSBBKZYOESSA-SNVBAGLBSA-N 0 0 187.283 2.020 10 0 AEAERN COc1c(CCO)cccc1C(C)C 238379107 572645710 /nfs/dbraw/zinc/64/57/10/572645710.db2.gz WKZKAEAQTCDTNY-UHFFFAOYSA-N 0 0 194.274 2.353 10 0 AEAERN CC(=O)CCN(C)c1ccccc1F 70162249 572645736 /nfs/dbraw/zinc/64/57/36/572645736.db2.gz FHRMGRBZKOQAOA-UHFFFAOYSA-N 0 0 195.237 2.241 10 0 AEAERN CCCCC[C@@](C)(O)COCC 87649514 572645839 /nfs/dbraw/zinc/64/58/39/572645839.db2.gz FNSGVUSKRHHMPV-SNVBAGLBSA-N 0 0 174.284 2.354 10 0 AEAERN CCCn1ccnc1[C@](C)(O)CCC 87649292 572645888 /nfs/dbraw/zinc/64/58/88/572645888.db2.gz ZPJCZOCGPHQINY-LLVKDONJSA-N 0 0 196.294 2.301 10 0 AEAERN CCCCC[C@@](C)(O)[C@@H]1CCOC1 87648954 572645976 /nfs/dbraw/zinc/64/59/76/572645976.db2.gz PBEFSVLVESHPQX-GHMZBOCLSA-N 0 0 186.295 2.354 10 0 AEAERN CCC[C@@](C)(O)Cc1nccs1 87648626 572646064 /nfs/dbraw/zinc/64/60/64/572646064.db2.gz TVOHMGULZXCKOU-SECBINFHSA-N 0 0 185.292 2.237 10 0 AEAERN CCCCC[C@](C)(O)c1ccnn1C 87649494 572646115 /nfs/dbraw/zinc/64/61/15/572646115.db2.gz DIYNIJCLZYFCBM-NSHDSACASA-N 0 0 196.294 2.208 10 0 AEAERN CCC[C@](C)(O)CC1CCOCC1 87648509 572646213 /nfs/dbraw/zinc/64/62/13/572646213.db2.gz XTMSLRICURNGSR-NSHDSACASA-N 0 0 186.295 2.354 10 0 AEAERN CCCCC[C@@](C)([NH2+]C1CC1)C(=O)[O-] 87648682 572646302 /nfs/dbraw/zinc/64/63/02/572646302.db2.gz PWBRQWRXRBXUQO-LLVKDONJSA-N 0 0 199.294 2.162 10 0 AEAERN CCCn1cc([C@](C)(O)CCC)cn1 87648506 572646320 /nfs/dbraw/zinc/64/63/20/572646320.db2.gz XTMMVLHOTMYWGV-LLVKDONJSA-N 0 0 196.294 2.301 10 0 AEAERN CC(C)c1ccc(O)c2c1OCC2=O 714117164 572646367 /nfs/dbraw/zinc/64/63/67/572646367.db2.gz QFPRLTQMNPZYAQ-UHFFFAOYSA-N 0 0 192.214 2.091 10 0 AEAERN O=C1COc2cccc(C(F)F)c21 714117239 572646412 /nfs/dbraw/zinc/64/64/12/572646412.db2.gz RLZYFDXLHGIZSA-UHFFFAOYSA-N 0 0 184.141 2.199 10 0 AEAERN C/C=C\CCNC(=O)c1ccsc1 308085173 572646476 /nfs/dbraw/zinc/64/64/76/572646476.db2.gz FXUPITWZHNSBHG-IHWYPQMZSA-N 0 0 195.287 2.444 10 0 AEAERN C/C=C\CCNC(=O)NCCCC 308082889 572646589 /nfs/dbraw/zinc/64/65/89/572646589.db2.gz BBAALSSEPWLNKN-HYXAFXHYSA-N 0 0 184.283 2.052 10 0 AEAERN CC[C@@H](C)Oc1cncc(Cl)n1 48264503 572646842 /nfs/dbraw/zinc/64/68/42/572646842.db2.gz VMTYKIXHJIVGTI-ZCFIWIBFSA-N 0 0 186.642 2.307 10 0 AEAERN C[C@@H](O)CC[C@@H](O)C1=CCCCC1 238379409 572646973 /nfs/dbraw/zinc/64/69/73/572646973.db2.gz VIWFWKWRUATLRL-MWLCHTKSSA-N 0 0 184.279 2.009 10 0 AEAERN CCCCC[C@@]1(C)CC(=O)N[C@H]1C 87649990 572647427 /nfs/dbraw/zinc/64/74/27/572647427.db2.gz CVXDLJZKLPETBI-ONGXEEELSA-N 0 0 183.295 2.481 10 0 AEAERN CCCCC[C@@]1(C)CC(=O)N[C@@H]1C 87649988 572647561 /nfs/dbraw/zinc/64/75/61/572647561.db2.gz CVXDLJZKLPETBI-KOLCDFICSA-N 0 0 183.295 2.481 10 0 AEAERN CC[C@@H](C)Oc1ccc(Cl)nn1 48264506 572647698 /nfs/dbraw/zinc/64/76/98/572647698.db2.gz CLQWFQMNLVRJND-ZCFIWIBFSA-N 0 0 186.642 2.307 10 0 AEAERN Cc1cc2c(c(C)c1O)CCC(=O)C2 714117053 572647799 /nfs/dbraw/zinc/64/77/99/572647799.db2.gz FJXYWEQZDVEQPP-UHFFFAOYSA-N 0 0 190.242 2.067 10 0 AEAERN O=C(OCc1cccs1)C(F)F 308085809 572647817 /nfs/dbraw/zinc/64/78/17/572647817.db2.gz NRTDSLXNTIFULY-UHFFFAOYSA-N 0 0 192.186 2.056 10 0 AEAERN CC[C@H](C)Oc1cncc(Cl)n1 48264505 572647884 /nfs/dbraw/zinc/64/78/84/572647884.db2.gz VMTYKIXHJIVGTI-LURJTMIESA-N 0 0 186.642 2.307 10 0 AEAERN CCCCC[C@]1(C)CC(=O)N[C@@H]1C 87649987 572647890 /nfs/dbraw/zinc/64/78/90/572647890.db2.gz CVXDLJZKLPETBI-MWLCHTKSSA-N 0 0 183.295 2.481 10 0 AEAERN FC(F)CN(C1CCC1)C1CC1 308085819 572648011 /nfs/dbraw/zinc/64/80/11/572648011.db2.gz NSOUHMIKNUAECI-UHFFFAOYSA-N 0 0 175.222 2.268 10 0 AEAERN CCCCC[C@]1(C)CNC(=O)C1 87649986 572648104 /nfs/dbraw/zinc/64/81/04/572648104.db2.gz PWYACZWEEFOOBJ-JTQLQIEISA-N 0 0 169.268 2.093 10 0 AEAERN CCCCC[C@]1(C)C[NH2+]C[C@@H](C)O1 87649889 572648146 /nfs/dbraw/zinc/64/81/46/572648146.db2.gz KKBBPVPVARYNJN-GHMZBOCLSA-N 0 0 185.311 2.334 10 0 AEAERN CCCCC[C@@]1(C)CNC(=O)O1 87649940 572648307 /nfs/dbraw/zinc/64/83/07/572648307.db2.gz YGQDARJUIRXIBE-VIFPVBQESA-N 0 0 171.240 2.065 10 0 AEAERN CCCCC[C@@]1(C)C[NH2+]C[C@H](C)O1 87649888 572648311 /nfs/dbraw/zinc/64/83/11/572648311.db2.gz KKBBPVPVARYNJN-QWRGUYRKSA-N 0 0 185.311 2.334 10 0 AEAERN CCCCC[C@@]1(C)C[NH2+]C[C@@H](C)O1 87649890 572648345 /nfs/dbraw/zinc/64/83/45/572648345.db2.gz KKBBPVPVARYNJN-MNOVXSKESA-N 0 0 185.311 2.334 10 0 AEAERN C[C@@H](O)CC[C@H](O)C1=CCCCC1 238380699 572648607 /nfs/dbraw/zinc/64/86/07/572648607.db2.gz VIWFWKWRUATLRL-KOLCDFICSA-N 0 0 184.279 2.009 10 0 AEAERN CCCCC[C@](C)(CC(=O)[O-])[NH2+]C 87649904 572648609 /nfs/dbraw/zinc/64/86/09/572648609.db2.gz IWEAESICBLCMFN-SNVBAGLBSA-N 0 0 187.283 2.020 10 0 AEAERN CCCCC[C@@](C)(C[NH3+])CC(=O)[O-] 87649952 572648676 /nfs/dbraw/zinc/64/86/76/572648676.db2.gz RQNIQFDKBQYPPB-SNVBAGLBSA-N 0 0 187.283 2.006 10 0 AEAERN CCCCC[C@]1(C)C[C@@H](O)CCO1 87649751 572648806 /nfs/dbraw/zinc/64/88/06/572648806.db2.gz IIQHONOVWHTDQK-WDEREUQCSA-N 0 0 186.295 2.497 10 0 AEAERN CCCCC[C@]1(C)CNC(=O)O1 87649939 572648908 /nfs/dbraw/zinc/64/89/08/572648908.db2.gz YGQDARJUIRXIBE-SECBINFHSA-N 0 0 171.240 2.065 10 0 AEAERN CCCCC[C@@]1(C)CNC(=O)C1 87649985 572649020 /nfs/dbraw/zinc/64/90/20/572649020.db2.gz PWYACZWEEFOOBJ-SNVBAGLBSA-N 0 0 169.268 2.093 10 0 AEAERN CCCCC[C@]1(C)C[C@H](O)CCO1 87649749 572649062 /nfs/dbraw/zinc/64/90/62/572649062.db2.gz IIQHONOVWHTDQK-GHMZBOCLSA-N 0 0 186.295 2.497 10 0 AEAERN O=C(CC1CCCC1)OC1CC1 308085818 572649157 /nfs/dbraw/zinc/64/91/57/572649157.db2.gz NSLUKJBMAGVWGX-UHFFFAOYSA-N 0 0 168.236 2.272 10 0 AEAERN CCCCC[C@]1(C)C[NH2+]C[C@H](C)O1 87649887 572649191 /nfs/dbraw/zinc/64/91/91/572649191.db2.gz KKBBPVPVARYNJN-WDEREUQCSA-N 0 0 185.311 2.334 10 0 AEAERN CCCCC[C@@]1(C)C[C@H](O)CCO1 87649750 572649296 /nfs/dbraw/zinc/64/92/96/572649296.db2.gz IIQHONOVWHTDQK-MNOVXSKESA-N 0 0 186.295 2.497 10 0 AEAERN CCCCC[C@@]1(C)COC(=O)N1 87649936 572649409 /nfs/dbraw/zinc/64/94/09/572649409.db2.gz JXVLRFPTIDVBLD-VIFPVBQESA-N 0 0 171.240 2.065 10 0 AEAERN CCCCC[C@](C)(C[NH3+])CC(=O)[O-] 87649951 572649423 /nfs/dbraw/zinc/64/94/23/572649423.db2.gz RQNIQFDKBQYPPB-JTQLQIEISA-N 0 0 187.283 2.006 10 0 AEAERN C[C@@H](O)CC[C@@H]1CCCC=CCC1=O 238379760 572649456 /nfs/dbraw/zinc/64/94/56/572649456.db2.gz NKTAGUJGEWKQSL-MNOVXSKESA-N 0 0 196.290 2.463 10 0 AEAERN CCCCC[C@]1(C)CC(=O)N[C@H]1C 87649989 572649608 /nfs/dbraw/zinc/64/96/08/572649608.db2.gz CVXDLJZKLPETBI-GXSJLCMTSA-N 0 0 183.295 2.481 10 0 AEAERN CCCCC[C@@](C)(CC(=O)[O-])[NH2+]C 87649903 572649637 /nfs/dbraw/zinc/64/96/37/572649637.db2.gz IWEAESICBLCMFN-JTQLQIEISA-N 0 0 187.283 2.020 10 0 AEAERN CCCCC[C@@]1(C)C[C@@H](O)CCO1 87649752 572649650 /nfs/dbraw/zinc/64/96/50/572649650.db2.gz IIQHONOVWHTDQK-QWRGUYRKSA-N 0 0 186.295 2.497 10 0 AEAERN CCCCC[C@]1(C)COC(=O)N1 87649935 572649844 /nfs/dbraw/zinc/64/98/44/572649844.db2.gz JXVLRFPTIDVBLD-SECBINFHSA-N 0 0 171.240 2.065 10 0 AEAERN C[C@@H]1OCC[C@@]1(O)C1=CCCCC1 235282235 572649998 /nfs/dbraw/zinc/64/99/98/572649998.db2.gz NVFQVVYABNIYEX-ONGXEEELSA-N 0 0 182.263 2.027 10 0 AEAERN Cc1ccc(O)c2c1C[C@H](C)C2=O 196911300 572650328 /nfs/dbraw/zinc/65/03/28/572650328.db2.gz OFRFNKDRTNZAMP-ZETCQYMHSA-N 0 0 176.215 2.076 10 0 AEAERN C[C@@H]1C[C@]12C(=O)Nc1ccc(F)cc12 235280660 572650685 /nfs/dbraw/zinc/65/06/85/572650685.db2.gz VYAIMETWLAEVFX-KBUNVGBDSA-N 0 0 191.205 2.055 10 0 AEAERN [O-]c1ccc([C@@H]2CCC[NH2+]2)c(F)c1F 72201768 572650745 /nfs/dbraw/zinc/65/07/45/572650745.db2.gz XGJMTOPISZJCQG-ZETCQYMHSA-N 0 0 199.200 2.095 10 0 AEAERN Cc1ccc2nc(C3CC3)oc2n1 74329487 572650795 /nfs/dbraw/zinc/65/07/95/572650795.db2.gz ZUGRXIAFISVMBU-UHFFFAOYSA-N 0 0 174.203 2.409 10 0 AEAERN CO/C=C/C[C@@H](C)CC(C)=O 307856786 572650796 /nfs/dbraw/zinc/65/07/96/572650796.db2.gz FILXIHISYUOXOY-YZCDNWJKSA-N 0 0 156.225 2.152 10 0 AEAERN CCc1c(Cl)ccc2c1C(=O)CO2 714118929 572650950 /nfs/dbraw/zinc/65/09/50/572650950.db2.gz BIOOZCPNPRUSHQ-UHFFFAOYSA-N 0 0 196.633 2.478 10 0 AEAERN CCc1nc2c(C)ccnc2o1 74329764 572651210 /nfs/dbraw/zinc/65/12/10/572651210.db2.gz BABJQSXBSAFLQF-UHFFFAOYSA-N 0 0 162.192 2.094 10 0 AEAERN CC(C)c1nc2cc(F)cnc2o1 74328303 572651138 /nfs/dbraw/zinc/65/11/38/572651138.db2.gz YJRDBSWUGDGGFJ-UHFFFAOYSA-N 0 0 180.182 2.485 10 0 AEAERN Cc1ccc2c(c1)[C@@]1(C[C@H]1C)C(=O)N2 235280582 572651192 /nfs/dbraw/zinc/65/11/92/572651192.db2.gz HCABKFLJUYZAHU-PELKAZGASA-N 0 0 187.242 2.225 10 0 AEAERN CCCc1nc2c(C)ccnc2o1 74329769 572651257 /nfs/dbraw/zinc/65/12/57/572651257.db2.gz KKGAHOTZQFIHMM-UHFFFAOYSA-N 0 0 176.219 2.484 10 0 AEAERN [O-]c1cc([C@H]2CCC[NH2+]2)cc(F)c1F 72201779 572651320 /nfs/dbraw/zinc/65/13/20/572651320.db2.gz GUBQWSYHBYIGNB-MRVPVSSYSA-N 0 0 199.200 2.095 10 0 AEAERN c1ccc(-c2nc3cccnc3o2)nc1 74328289 572651453 /nfs/dbraw/zinc/65/14/53/572651453.db2.gz BJUGCEJCIUWSBJ-UHFFFAOYSA-N 0 0 197.197 2.285 10 0 AEAERN COC(=O)c1cc(C(C)C)co1 196910777 572651497 /nfs/dbraw/zinc/65/14/97/572651497.db2.gz HPANYWBPDHRMNV-UHFFFAOYSA-N 0 0 168.192 2.190 10 0 AEAERN Cc1ccnc2oc(C3CC3)nc12 74329788 572651548 /nfs/dbraw/zinc/65/15/48/572651548.db2.gz GISXWLOLDXJYSY-UHFFFAOYSA-N 0 0 174.203 2.409 10 0 AEAERN Fc1cnc2oc(C3CC3)nc2c1 74328313 572651565 /nfs/dbraw/zinc/65/15/65/572651565.db2.gz LIKIXHVSJBDLPN-UHFFFAOYSA-N 0 0 178.166 2.239 10 0 AEAERN COc1ccc(C)c2c1CC(=O)CC2 714118930 572651650 /nfs/dbraw/zinc/65/16/50/572651650.db2.gz BSIFHRRCJKSQBO-UHFFFAOYSA-N 0 0 190.242 2.061 10 0 AEAERN c1cnc2oc(-c3ccncc3)nc2c1 74328207 572651684 /nfs/dbraw/zinc/65/16/84/572651684.db2.gz PKQLKQQHMTXMPE-UHFFFAOYSA-N 0 0 197.197 2.285 10 0 AEAERN Cc1ccc(O)c2c1C[C@@H](C)C2=O 196911313 572651864 /nfs/dbraw/zinc/65/18/64/572651864.db2.gz OFRFNKDRTNZAMP-SSDOTTSWSA-N 0 0 176.215 2.076 10 0 AEAERN [O-]c1cc([C@@H]2CCC[NH2+]2)cc(F)c1F 72201778 572651978 /nfs/dbraw/zinc/65/19/78/572651978.db2.gz GUBQWSYHBYIGNB-QMMMGPOBSA-N 0 0 199.200 2.095 10 0 AEAERN CCCc1nc2ccc(C)nc2o1 74329466 572652066 /nfs/dbraw/zinc/65/20/66/572652066.db2.gz ISCJBWXXNTZTMN-UHFFFAOYSA-N 0 0 176.219 2.484 10 0 AEAERN c1cncc(-c2nc3cccnc3o2)c1 74328204 572653071 /nfs/dbraw/zinc/65/30/71/572653071.db2.gz FXKSSTBAHLTEKS-UHFFFAOYSA-N 0 0 197.197 2.285 10 0 AEAERN CCONCC1(CC)CCC1 307857312 572653072 /nfs/dbraw/zinc/65/30/72/572653072.db2.gz DYOKYCGXNAGKAF-UHFFFAOYSA-N 0 0 157.257 2.108 10 0 AEAERN Nc1ccc(OC2CCCC2)cc1N 196906612 572652672 /nfs/dbraw/zinc/65/26/72/572652672.db2.gz BZDVJRBLEYJLLB-UHFFFAOYSA-N 0 0 192.262 2.172 10 0 AEAERN NC(=O)/C=C\c1ccc2ccccc2c1 116020281 572652695 /nfs/dbraw/zinc/65/26/95/572652695.db2.gz SQEPXJIYNPDPRZ-VURMDHGXSA-N 0 0 197.237 2.338 10 0 AEAERN COCc1nc2cc(Cl)cnc2o1 74328693 572652891 /nfs/dbraw/zinc/65/28/91/572652891.db2.gz QTKLBFHVBPWZQT-UHFFFAOYSA-N 0 0 198.609 2.023 10 0 AEAERN [O-]c1cc(F)c([C@@H]2CCC[NH2+]2)cc1F 72201762 572653074 /nfs/dbraw/zinc/65/30/74/572653074.db2.gz IJUSJJSNUYHFII-VIFPVBQESA-N 0 0 199.200 2.095 10 0 AEAERN CCCc1nc2cc(F)cnc2o1 74328298 572653109 /nfs/dbraw/zinc/65/31/09/572653109.db2.gz VBSUKBRBVAJNCW-UHFFFAOYSA-N 0 0 180.182 2.314 10 0 AEAERN [O-]c1ccc([C@H]2CCC[NH2+]2)c(F)c1F 72201769 572653113 /nfs/dbraw/zinc/65/31/13/572653113.db2.gz XGJMTOPISZJCQG-SSDOTTSWSA-N 0 0 199.200 2.095 10 0 AEAERN [O-]c1cc(F)c([C@H]2CCC[NH2+]2)cc1F 72201763 572653331 /nfs/dbraw/zinc/65/33/31/572653331.db2.gz IJUSJJSNUYHFII-SECBINFHSA-N 0 0 199.200 2.095 10 0 AEAERN CO/C=C/C[C@H](C)CC(C)=O 307856785 572653418 /nfs/dbraw/zinc/65/34/18/572653418.db2.gz FILXIHISYUOXOY-JQTRYQTASA-N 0 0 156.225 2.152 10 0 AEAERN CONCCCC1CCCC1 307856892 572653425 /nfs/dbraw/zinc/65/34/25/572653425.db2.gz CXQAGZPFMADQMX-UHFFFAOYSA-N 0 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CC(=O)OC[C@H](C)c1ccccc1O 238384172 572665487 /nfs/dbraw/zinc/66/54/87/572665487.db2.gz LLFUFOFZGDKVIW-QMMMGPOBSA-N 0 0 194.230 2.059 10 0 AEAERN CCc1c(O)ccc2c1CC(=O)CC2 714121233 572665567 /nfs/dbraw/zinc/66/55/67/572665567.db2.gz UXAUAUXTZWVLBK-UHFFFAOYSA-N 0 0 190.242 2.012 10 0 AEAERN CCOC(=O)N[C@H]1CCCC[C@@H]1C 70223493 572665594 /nfs/dbraw/zinc/66/55/94/572665594.db2.gz BZDDSQZEQYJXOD-IUCAKERBSA-N 0 0 185.267 2.311 10 0 AEAERN C[C@@H]([NH3+])[C@H](CC(=O)[O-])C1CCCCC1 85116099 572665607 /nfs/dbraw/zinc/66/56/07/572665607.db2.gz GCESHDDCGYJUBV-SCZZXKLOSA-N 0 0 199.294 2.005 10 0 AEAERN CC[C@@H]([NH3+])[C@@](CC)(CC(=O)[O-])C1CC1 85117588 572665613 /nfs/dbraw/zinc/66/56/13/572665613.db2.gz XLTNMEDHBHILQM-KOLCDFICSA-N 0 0 199.294 2.005 10 0 AEAERN CS[C@@H](CCO)c1ccccc1 238384995 572665727 /nfs/dbraw/zinc/66/57/27/572665727.db2.gz XYDYDSODXGVJLL-JTQLQIEISA-N 0 0 182.288 2.473 10 0 AEAERN CCC[C@](C)(CC(=O)[O-])[C@@H]([NH3+])CC 85117527 572665744 /nfs/dbraw/zinc/66/57/44/572665744.db2.gz 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85118244 572666061 /nfs/dbraw/zinc/66/60/61/572666061.db2.gz ZEMVEOQKUOQKPY-SNVBAGLBSA-N 0 0 187.283 2.005 10 0 AEAERN CCCCc1ncc(C(=O)OC)s1 87664809 572666139 /nfs/dbraw/zinc/66/61/39/572666139.db2.gz KNOMPUPLNQSUQE-UHFFFAOYSA-N 0 0 199.275 2.272 10 0 AEAERN CC[C@@H]([NH3+])[C@](CC)(CC(=O)[O-])C1CC1 85117593 572666141 /nfs/dbraw/zinc/66/61/41/572666141.db2.gz XLTNMEDHBHILQM-MWLCHTKSSA-N 0 0 199.294 2.005 10 0 AEAERN CC(C)c1noc(C2CC2)c1N 74337695 572666167 /nfs/dbraw/zinc/66/61/67/572666167.db2.gz PEQIGKPCXANDJE-UHFFFAOYSA-N 0 0 166.224 2.258 10 0 AEAERN CC[C@@H]([NH3+])[C@@H](CC(=O)[O-])C1CCCC1 85117229 572666267 /nfs/dbraw/zinc/66/62/67/572666267.db2.gz GRDQQRQWGBNAIH-VHSXEESVSA-N 0 0 199.294 2.005 10 0 AEAERN CO/C=C\c1cccc(OC(C)=O)c1 713731528 572666276 /nfs/dbraw/zinc/66/62/76/572666276.db2.gz WUNDMEKYOIJPOM-SREVYHEPSA-N 0 0 192.214 2.229 10 0 AEAERN CCC[C@@](C)(CC(=O)[O-])[C@H]([NH3+])CC 85117521 572666301 /nfs/dbraw/zinc/66/63/01/572666301.db2.gz PDOADOBSLIFYBS-SCZZXKLOSA-N 0 0 187.283 2.005 10 0 AEAERN CC[C@@](CC(=O)[O-])(C1CC1)C(C)(C)[NH3+] 85118267 572666339 /nfs/dbraw/zinc/66/63/39/572666339.db2.gz LAEVOMCMJFKZDV-LLVKDONJSA-N 0 0 199.294 2.005 10 0 AEAERN Cc1noc(C2CCCC2)c1N 74337699 572666366 /nfs/dbraw/zinc/66/63/66/572666366.db2.gz KEELPZZVBXKFFK-UHFFFAOYSA-N 0 0 166.224 2.223 10 0 AEAERN CC[C@@H]([NH3+])[C@H](CC(=O)[O-])C1CCCC1 85117232 572666452 /nfs/dbraw/zinc/66/64/52/572666452.db2.gz GRDQQRQWGBNAIH-NXEZZACHSA-N 0 0 199.294 2.005 10 0 AEAERN CC(C)([NH3+])[C@H](CC(=O)[O-])C1CCCC1 85118157 572666461 /nfs/dbraw/zinc/66/64/61/572666461.db2.gz LGTWELKWJCVPCS-SECBINFHSA-N 0 0 199.294 2.005 10 0 AEAERN CC(C)([NH3+])[C@@H](CC(=O)[O-])C1CCCC1 85118156 572666466 /nfs/dbraw/zinc/66/64/66/572666466.db2.gz LGTWELKWJCVPCS-VIFPVBQESA-N 0 0 199.294 2.005 10 0 AEAERN CC[C@](CC(=O)[O-])(C1CC1)C(C)(C)[NH3+] 85118268 572666591 /nfs/dbraw/zinc/66/65/91/572666591.db2.gz LAEVOMCMJFKZDV-NSHDSACASA-N 0 0 199.294 2.005 10 0 AEAERN C[C@H]([NH3+])[C@@](C)(CC(=O)[O-])C1CCCC1 85115809 572666594 /nfs/dbraw/zinc/66/65/94/572666594.db2.gz OSAADAQLEFEBOF-GZMMTYOYSA-N 0 0 199.294 2.005 10 0 AEAERN CC[C@H]([NH3+])[C@]1(CC(=O)[O-])CCC[C@@H]1C 85117273 572666609 /nfs/dbraw/zinc/66/66/09/572666609.db2.gz ICLDUQVWBZJUMH-QXEWZRGKSA-N 0 0 199.294 2.005 10 0 AEAERN C/C=C\[C@@H]1[C@@H]2CCC(=O)[C@@]21C 307864486 572666644 /nfs/dbraw/zinc/66/66/44/572666644.db2.gz LSNPFARBFMINCL-BMNLWSEESA-N 0 0 150.221 2.178 10 0 AEAERN CC[C@@H]([NH3+])C(CC)(CC)CC(=O)[O-] 85117358 572666675 /nfs/dbraw/zinc/66/66/75/572666675.db2.gz ZTLJBYZYFIFJFO-MRVPVSSYSA-N 0 0 187.283 2.005 10 0 AEAERN CCC[C@@](C)(CC(=O)[O-])[C@@H]([NH3+])CC 85117525 572666778 /nfs/dbraw/zinc/66/67/78/572666778.db2.gz PDOADOBSLIFYBS-WPRPVWTQSA-N 0 0 187.283 2.005 10 0 AEAERN C[C@@H]([NH3+])[C@](C)(CC(=O)[O-])C1CCCC1 85115817 572666781 /nfs/dbraw/zinc/66/67/81/572666781.db2.gz OSAADAQLEFEBOF-KCJUWKMLSA-N 0 0 199.294 2.005 10 0 AEAERN CC[C@H]([NH3+])[C@@H](CC(=O)[O-])C1CCCC1 85117227 572666864 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/nfs/dbraw/zinc/67/56/78/572675678.db2.gz BBUQIIMTCWONLJ-UHFFFAOYSA-N 0 0 169.268 2.093 10 0 AEAERN CC(C)CCc1cccnc1N 70318446 572675723 /nfs/dbraw/zinc/67/57/23/572675723.db2.gz CNMXJVBCULJSQN-UHFFFAOYSA-N 0 0 164.252 2.252 10 0 AEAERN CCCC1(CCC)CC(=O)N[C@H]1C 85134850 572676100 /nfs/dbraw/zinc/67/61/00/572676100.db2.gz PSASSLLAZDVSDF-VIFPVBQESA-N 0 0 183.295 2.481 10 0 AEAERN C[C@H]1CC[C@H](C)[C@](O)(C(F)F)C1 87687125 572676369 /nfs/dbraw/zinc/67/63/69/572676369.db2.gz SGQCZZGFJSAPPU-ZKWXMUAHSA-N 0 0 178.222 2.439 10 0 AEAERN CCCC[C@@]1(CC)CC(=O)N[C@H]1C 85135892 572676270 /nfs/dbraw/zinc/67/62/70/572676270.db2.gz YYHGNJQRLCPOLS-ONGXEEELSA-N 0 0 183.295 2.481 10 0 AEAERN CCN[C@H](Cc1ccccc1)C(F)F 87687384 572676606 /nfs/dbraw/zinc/67/66/06/572676606.db2.gz PYOQOBUBTPIYPI-SNVBAGLBSA-N 0 0 199.244 2.472 10 0 AEAERN CCCC[C@]1(CC)CC(=O)N[C@@H]1C 85135885 572676608 /nfs/dbraw/zinc/67/66/08/572676608.db2.gz YYHGNJQRLCPOLS-MWLCHTKSSA-N 0 0 183.295 2.481 10 0 AEAERN O=C(Cc1ncccc1Cl)C1CC1 71002950 572676734 /nfs/dbraw/zinc/67/67/34/572676734.db2.gz HUVTXZOTYAHJII-UHFFFAOYSA-N 0 0 195.649 2.257 10 0 AEAERN CN[C@@H](Cc1ccccc1)C(F)F 87687381 572676754 /nfs/dbraw/zinc/67/67/54/572676754.db2.gz RKRYCCGPBVPTFD-VIFPVBQESA-N 0 0 185.217 2.082 10 0 AEAERN CCCC[C@@]1(CC)CNC(=O)C1 85134403 572677020 /nfs/dbraw/zinc/67/70/20/572677020.db2.gz VXZWAPTXMFFFIV-SNVBAGLBSA-N 0 0 169.268 2.093 10 0 AEAERN CC/C=C\C(=O)O[C@@H](C)CC 117414984 572677181 /nfs/dbraw/zinc/67/71/81/572677181.db2.gz NFKLYQSINBETEW-UAPHAKCISA-N 0 0 156.225 2.294 10 0 AEAERN C[C@H]1C[C@@H](C)CC(O)(C(F)F)C1 87687109 572677202 /nfs/dbraw/zinc/67/72/02/572677202.db2.gz XXTXSPHZJULEFQ-AVSFMBPQSA-N 0 0 178.222 2.439 10 0 AEAERN CCC(CC)[C@@H]1CC(=O)N[C@@H]1CC 85137149 572677261 /nfs/dbraw/zinc/67/72/61/572677261.db2.gz OTRGYIRCXBSQEK-VHSXEESVSA-N 0 0 183.295 2.337 10 0 AEAERN C[C@H]1CC[C@@H](C)[C@](O)(C(F)F)C1 87687127 572677293 /nfs/dbraw/zinc/67/72/93/572677293.db2.gz SGQCZZGFJSAPPU-OOZYFLPDSA-N 0 0 178.222 2.439 10 0 AEAERN COc1cccc(Cl)c1/C=C\CO 308091815 572677319 /nfs/dbraw/zinc/67/73/19/572677319.db2.gz OBOSXRIFJOVTLV-ARJAWSKDSA-N 0 0 198.649 2.354 10 0 AEAERN C[C@H]1CC[C@](O)(C(F)F)C[C@@H]1C 87687113 572677369 /nfs/dbraw/zinc/67/73/69/572677369.db2.gz HENUDYVDVOCKQO-ACLDMZEESA-N 0 0 178.222 2.439 10 0 AEAERN C[C@H]1CCC[C@](O)(C(F)F)[C@@H]1C 87687117 572677428 /nfs/dbraw/zinc/67/74/28/572677428.db2.gz AJXVUXLSCMSWMK-LKEWCRSYSA-N 0 0 178.222 2.439 10 0 AEAERN CCC/C=C(/CCCC)C(N)=O 307868870 572677432 /nfs/dbraw/zinc/67/74/32/572677432.db2.gz FQBYHBGAXPQANO-CLFYSBASSA-N 0 0 169.268 2.388 10 0 AEAERN COc1ccc2cc3cnccn3c2c1 238405951 572677461 /nfs/dbraw/zinc/67/74/61/572677461.db2.gz AYXRNPNZBMWBRN-UHFFFAOYSA-N 0 0 198.225 2.496 10 0 AEAERN CCN[C@@H](Cc1ccccc1)C(F)F 87687383 572677603 /nfs/dbraw/zinc/67/76/03/572677603.db2.gz PYOQOBUBTPIYPI-JTQLQIEISA-N 0 0 199.244 2.472 10 0 AEAERN CCCCC[C@@H]1NC(=O)N[C@H]1CC 214183851 572677638 /nfs/dbraw/zinc/67/76/38/572677638.db2.gz DNCWSLNTAZYDBV-IUCAKERBSA-N 0 0 184.283 2.027 10 0 AEAERN CO[C@@H](c1nccc(=S)[nH]1)C(C)C 234783582 572677878 /nfs/dbraw/zinc/67/78/78/572677878.db2.gz ZGLBTQQIFADTJH-MRVPVSSYSA-N 0 0 198.291 2.109 10 0 AEAERN CCSc1cc(Cl)ncn1 48631338 572677917 /nfs/dbraw/zinc/67/79/17/572677917.db2.gz GTTBWODWDPFSSN-UHFFFAOYSA-N 0 0 174.656 2.242 10 0 AEAERN C/C=C\[C@H](O)c1ccncc1Cl 393374649 572678034 /nfs/dbraw/zinc/67/80/34/572678034.db2.gz SMNYOSZJAMRANY-XADBCAIWSA-N 0 0 183.638 2.345 10 0 AEAERN Cc1ccc([C@@H](O)[C@@H]2CCOC2)s1 48628815 572678296 /nfs/dbraw/zinc/67/82/96/572678296.db2.gz PYUYYCCGHLGHBT-SCZZXKLOSA-N 0 0 198.287 2.126 10 0 AEAERN CCc1n[nH]c(CC2CCCCC2)n1 48630779 572678300 /nfs/dbraw/zinc/67/83/00/572678300.db2.gz HHKMDGDUOSRCQN-UHFFFAOYSA-N 0 0 193.294 2.490 10 0 AEAERN CCc1nc(-c2ccccc2C)n[nH]1 48630756 572678363 /nfs/dbraw/zinc/67/83/63/572678363.db2.gz UAAZRXDKESLWGF-UHFFFAOYSA-N 0 0 187.246 2.343 10 0 AEAERN CCC/C=C(\N)c1ccncc1 307866092 572678367 /nfs/dbraw/zinc/67/83/67/572678367.db2.gz APMJLFFVOQJSOH-WMZJFQQLSA-N 0 0 162.236 2.181 10 0 AEAERN O=C(CCC1CC1)OC1CCC1 308091964 572678432 /nfs/dbraw/zinc/67/84/32/572678432.db2.gz UNORNAZODJLKLP-UHFFFAOYSA-N 0 0 168.236 2.272 10 0 AEAERN CCCCCc1nc(CC)n[nH]1 48630691 572678456 /nfs/dbraw/zinc/67/84/56/572678456.db2.gz FCCIYBZGSQBYIR-UHFFFAOYSA-N 0 0 167.256 2.100 10 0 AEAERN C/C=C\[C@@H](O)c1ccncc1Cl 393374648 572678470 /nfs/dbraw/zinc/67/84/70/572678470.db2.gz SMNYOSZJAMRANY-PKRMOACSSA-N 0 0 183.638 2.345 10 0 AEAERN CCc1nc(-c2cccs2)n[nH]1 48630652 572678471 /nfs/dbraw/zinc/67/84/71/572678471.db2.gz IAVITDVFYKGHBC-UHFFFAOYSA-N 0 0 179.248 2.096 10 0 AEAERN C[C@H](Nc1cc(Cl)ncn1)C1CC1 48631236 572678512 /nfs/dbraw/zinc/67/85/12/572678512.db2.gz ALQDFXUOZFBHGL-LURJTMIESA-N 0 0 197.669 2.340 10 0 AEAERN CCc1nc(-c2ccccc2F)n[nH]1 48630668 572678579 /nfs/dbraw/zinc/67/85/79/572678579.db2.gz ZZJQDPSSUIOKKG-UHFFFAOYSA-N 0 0 191.209 2.173 10 0 AEAERN CONC[C@H](C)C1CCCCC1 308094381 572678643 /nfs/dbraw/zinc/67/86/43/572678643.db2.gz WVTCCMGDWUCNCG-VIFPVBQESA-N 0 0 171.284 2.354 10 0 AEAERN O=c1[nH]cc(-c2cccc(F)c2)s1 72204724 572678710 /nfs/dbraw/zinc/67/87/10/572678710.db2.gz RVIOOPPTUZBGDJ-UHFFFAOYSA-N 0 0 195.218 2.243 10 0 AEAERN CN[C@H](Cc1ccccc1)C(F)F 87687382 572678756 /nfs/dbraw/zinc/67/87/56/572678756.db2.gz RKRYCCGPBVPTFD-SECBINFHSA-N 0 0 185.217 2.082 10 0 AEAERN CC(C)OCCC(=O)C1CCC1 307866467 572678775 /nfs/dbraw/zinc/67/87/75/572678775.db2.gz VCZVDIKWNPJDNH-UHFFFAOYSA-N 0 0 170.252 2.171 10 0 AEAERN C/C=C\[C@]1(C)SC[C@H](C)[C@@H]1O 307866808 572678813 /nfs/dbraw/zinc/67/88/13/572678813.db2.gz GOMNOWNKLMSYSS-ZEWQECDGSA-N 0 0 172.293 2.065 10 0 AEAERN CCc1nc(-c2sccc2C)n[nH]1 48630736 572678824 /nfs/dbraw/zinc/67/88/24/572678824.db2.gz WWEFPKACYXTSLE-UHFFFAOYSA-N 0 0 193.275 2.404 10 0 AEAERN c1c[nH]c(N2CCCCC2)c1 116296055 572678930 /nfs/dbraw/zinc/67/89/30/572678930.db2.gz FYNZLNTWHGFUEV-UHFFFAOYSA-N 0 0 150.225 2.005 10 0 AEAERN CC[C@@H](C)N(C)c1cc(Cl)ncn1 48631203 572678866 /nfs/dbraw/zinc/67/88/66/572678866.db2.gz FNGBEUOEWGYVKG-SSDOTTSWSA-N 0 0 199.685 2.365 10 0 AEAERN CC/C=C\C(=O)O[C@H](C)CC 117414987 572678872 /nfs/dbraw/zinc/67/88/72/572678872.db2.gz NFKLYQSINBETEW-NFXKFNAJSA-N 0 0 156.225 2.294 10 0 AEAERN C/C=C\[C@]1(C)SC[C@H](C)[C@H]1O 307866803 572678893 /nfs/dbraw/zinc/67/88/93/572678893.db2.gz GOMNOWNKLMSYSS-QAZQFCEKSA-N 0 0 172.293 2.065 10 0 AEAERN CCc1nc(-c2ccc(C)s2)n[nH]1 48630732 572680204 /nfs/dbraw/zinc/68/02/04/572680204.db2.gz NGWKOBQROIIKAQ-UHFFFAOYSA-N 0 0 193.275 2.404 10 0 AEAERN CO[C@H]1CCC[C@@](O)(CC(C)C)C1 234790295 572680379 /nfs/dbraw/zinc/68/03/79/572680379.db2.gz NKRVMKZCIYZVNG-WDEREUQCSA-N 0 0 186.295 2.353 10 0 AEAERN COC1CC(O)(C2CCCCCC2)C1 234789836 572679297 /nfs/dbraw/zinc/67/92/97/572679297.db2.gz AHWXUNFCKSCCEP-UHFFFAOYSA-N 0 0 198.306 2.497 10 0 AEAERN Cc1cccc(SC[C@H](C)CO)n1 85137890 572679355 /nfs/dbraw/zinc/67/93/55/572679355.db2.gz HVKFKZIEASBEIQ-MRVPVSSYSA-N 0 0 197.303 2.111 10 0 AEAERN CONC[C@@H](C)C1CCCCC1 308094380 572679390 /nfs/dbraw/zinc/67/93/90/572679390.db2.gz WVTCCMGDWUCNCG-SECBINFHSA-N 0 0 171.284 2.354 10 0 AEAERN O=c1[nH]cc(-c2ccccc2F)s1 72204726 572679520 /nfs/dbraw/zinc/67/95/20/572679520.db2.gz VETUPMAWQSVDKD-UHFFFAOYSA-N 0 0 195.218 2.243 10 0 AEAERN CCc1nnc(Cc2ccsc2)[nH]1 48630776 572679556 /nfs/dbraw/zinc/67/95/56/572679556.db2.gz VPIOFQPYWDTWLL-UHFFFAOYSA-N 0 0 193.275 2.019 10 0 AEAERN OC1(Cc2cccc(Cl)c2)CC1 54346527 572682837 /nfs/dbraw/zinc/68/28/37/572682837.db2.gz HISBKVLYFFMCGC-UHFFFAOYSA-N 0 0 182.650 2.407 10 0 AEAERN Cc1ccc([C@H](O)[C@H]2CCOC2)cc1 48628911 572679737 /nfs/dbraw/zinc/67/97/37/572679737.db2.gz KJJMLTMAKOJFKQ-RYUDHWBXSA-N 0 0 192.258 2.065 10 0 AEAERN CC[C@H](C)Oc1cc(Cl)ncn1 48631019 572679785 /nfs/dbraw/zinc/67/97/85/572679785.db2.gz UJMVKINJDIKXEO-LURJTMIESA-N 0 0 186.642 2.307 10 0 AEAERN Cc1ccc([C@@H](O)[C@H]2CCOC2)cc1 48628913 572679855 /nfs/dbraw/zinc/67/98/55/572679855.db2.gz KJJMLTMAKOJFKQ-NWDGAFQWSA-N 0 0 192.258 2.065 10 0 AEAERN Cc1ccc([C@H](O)[C@@H]2CCOC2)s1 48628813 572679871 /nfs/dbraw/zinc/67/98/71/572679871.db2.gz PYUYYCCGHLGHBT-PSASIEDQSA-N 0 0 198.287 2.126 10 0 AEAERN OC1(CCC2CCCC2)CC1 54346182 572679875 /nfs/dbraw/zinc/67/98/75/572679875.db2.gz DLEUZBQEPHSANE-UHFFFAOYSA-N 0 0 154.253 2.482 10 0 AEAERN CN[C@@](C)(Cc1ccccc1)C(F)F 87688667 572679933 /nfs/dbraw/zinc/67/99/33/572679933.db2.gz WDCKJPKGIQLOQT-NSHDSACASA-N 0 0 199.244 2.472 10 0 AEAERN CC[C@H](C)N(C)c1cc(Cl)ncn1 48631204 572679934 /nfs/dbraw/zinc/67/99/34/572679934.db2.gz FNGBEUOEWGYVKG-ZETCQYMHSA-N 0 0 199.685 2.365 10 0 AEAERN CCc1n[nH]c(CC2CCCC2)n1 48630757 572679992 /nfs/dbraw/zinc/67/99/92/572679992.db2.gz DAVCNSQNIMSBFG-UHFFFAOYSA-N 0 0 179.267 2.100 10 0 AEAERN O=c1[nH]cc(-c2ccc(F)cc2)s1 72204722 572680025 /nfs/dbraw/zinc/68/00/25/572680025.db2.gz JJKYQRLKPHLSOO-UHFFFAOYSA-N 0 0 195.218 2.243 10 0 AEAERN C/C=C\C[N@@H+]1C[C@H](C)S[C@H](C)C1 393370210 572681824 /nfs/dbraw/zinc/68/18/24/572681824.db2.gz LSVDGLPZBPLBLU-QOYVELHUSA-N 0 0 185.336 2.388 10 0 AEAERN CN[C@@](C)(CC(C)(C)OC)C(F)F 87688664 572680106 /nfs/dbraw/zinc/68/01/06/572680106.db2.gz JNDLUXYHKBTDBF-VIFPVBQESA-N 0 0 195.253 2.045 10 0 AEAERN CCc1nnc(Cc2cccs2)[nH]1 48630651 572680107 /nfs/dbraw/zinc/68/01/07/572680107.db2.gz IUGAFTDJQSRKHQ-UHFFFAOYSA-N 0 0 193.275 2.019 10 0 AEAERN C[C@H](F)CCOc1ccncc1 308094328 572680264 /nfs/dbraw/zinc/68/02/64/572680264.db2.gz WQFVCIZJMVBAEI-QMMMGPOBSA-N 0 0 169.199 2.209 10 0 AEAERN CCc1nc(-c2ccsc2)n[nH]1 48630762 572680276 /nfs/dbraw/zinc/68/02/76/572680276.db2.gz LPINORWAGKIBMF-UHFFFAOYSA-N 0 0 179.248 2.096 10 0 AEAERN Cc1ccc([C@H](O)[C@@H]2CCOC2)cc1 48628907 572680283 /nfs/dbraw/zinc/68/02/83/572680283.db2.gz KJJMLTMAKOJFKQ-NEPJUHHUSA-N 0 0 192.258 2.065 10 0 AEAERN Cc1cccc(SC[C@@H](C)CO)n1 85137889 572680246 /nfs/dbraw/zinc/68/02/46/572680246.db2.gz HVKFKZIEASBEIQ-QMMMGPOBSA-N 0 0 197.303 2.111 10 0 AEAERN Cc1cccc(CCC2(O)CC2)c1 54346464 572680318 /nfs/dbraw/zinc/68/03/18/572680318.db2.gz OSZSLZBHQISNRJ-UHFFFAOYSA-N 0 0 176.259 2.453 10 0 AEAERN CC(C)CN(C)c1cc(Cl)ncn1 48631202 572680321 /nfs/dbraw/zinc/68/03/21/572680321.db2.gz CQWLNEZDJCMBBB-UHFFFAOYSA-N 0 0 199.685 2.222 10 0 AEAERN Cc1ccc([C@@H](O)[C@@H]2CCOC2)cc1 48628909 572680333 /nfs/dbraw/zinc/68/03/33/572680333.db2.gz KJJMLTMAKOJFKQ-VXGBXAGGSA-N 0 0 192.258 2.065 10 0 AEAERN CCN[C@](C)(c1ccco1)C(F)F 87689110 572680360 /nfs/dbraw/zinc/68/03/60/572680360.db2.gz NFCAPCWXWCYWMR-SECBINFHSA-N 0 0 189.205 2.369 10 0 AEAERN OC1(c2cc3ccccc3o2)CC1 54346312 572680431 /nfs/dbraw/zinc/68/04/31/572680431.db2.gz BWWLGNUQZOWBMV-UHFFFAOYSA-N 0 0 174.199 2.414 10 0 AEAERN CO[C@@H]1CCC[C@](O)(c2ccco2)C1 234790046 572680573 /nfs/dbraw/zinc/68/05/73/572680573.db2.gz SEDGZAMLROZMJK-MWLCHTKSSA-N 0 0 196.246 2.056 10 0 AEAERN CCc1nc(-c2cc(C)oc2C)n[nH]1 48630678 572680920 /nfs/dbraw/zinc/68/09/20/572680920.db2.gz BYAXKQDCDGKOOL-UHFFFAOYSA-N 0 0 191.234 2.244 10 0 AEAERN CCOc1ccccc1C1(O)CC1 54346821 572681120 /nfs/dbraw/zinc/68/11/20/572681120.db2.gz KQQAJLFSLWRTIQ-UHFFFAOYSA-N 0 0 178.231 2.067 10 0 AEAERN CN[C@](C)(Cc1ccco1)C(F)F 87688820 572681147 /nfs/dbraw/zinc/68/11/47/572681147.db2.gz IXACSLUGZGEZSP-SECBINFHSA-N 0 0 189.205 2.065 10 0 AEAERN CCCCC[C@@H](NC)C(F)F 87688713 572681213 /nfs/dbraw/zinc/68/12/13/572681213.db2.gz IYMAFLZVEJZLLU-SSDOTTSWSA-N 0 0 165.227 2.420 10 0 AEAERN CCc1nc(/C=C(\C)N)sc1C 307867963 572681220 /nfs/dbraw/zinc/68/12/20/572681220.db2.gz IDTVWVHVHDOOMG-AATRIKPKSA-N 0 0 182.292 2.333 10 0 AEAERN CCc1ccsc1C1(O)CC1 54346624 572681233 /nfs/dbraw/zinc/68/12/33/572681233.db2.gz ULKPDJVCRVSAMO-UHFFFAOYSA-N 0 0 168.261 2.292 10 0 AEAERN CO[C@H]1CCC[C@@](O)(C=C(C)C)C1 234790154 572681253 /nfs/dbraw/zinc/68/12/53/572681253.db2.gz YORSVGROXUAVBD-WDEREUQCSA-N 0 0 184.279 2.273 10 0 AEAERN Cc1cccc(C2(O)CC2)c1C 54346823 572681326 /nfs/dbraw/zinc/68/13/26/572681326.db2.gz NPJDBTYBTZUPQK-UHFFFAOYSA-N 0 0 162.232 2.285 10 0 AEAERN CN[C@](C)(Cc1ccccc1)C(F)F 87688666 572681458 /nfs/dbraw/zinc/68/14/58/572681458.db2.gz WDCKJPKGIQLOQT-LLVKDONJSA-N 0 0 199.244 2.472 10 0 AEAERN CCC[NH2+][C@@](C)(CC)C(F)F 87689446 572681471 /nfs/dbraw/zinc/68/14/71/572681471.db2.gz XPPGVVSRLSPNQJ-QMMMGPOBSA-N 0 0 165.227 2.420 10 0 AEAERN CC[C@](NC)(c1ccco1)C(F)F 87688831 572681476 /nfs/dbraw/zinc/68/14/76/572681476.db2.gz FTDODFMFSIDWBP-VIFPVBQESA-N 0 0 189.205 2.369 10 0 AEAERN CC[C@@](NC)(c1ccco1)C(F)F 87688830 572681526 /nfs/dbraw/zinc/68/15/26/572681526.db2.gz FTDODFMFSIDWBP-SECBINFHSA-N 0 0 189.205 2.369 10 0 AEAERN C[C@@H](CCO)Sc1cccc(N)c1 85142067 572681548 /nfs/dbraw/zinc/68/15/48/572681548.db2.gz XWETUYJEHMBAAP-QMMMGPOBSA-N 0 0 197.303 2.132 10 0 AEAERN CCCCC[C@H](NC)C(F)F 87688712 572681620 /nfs/dbraw/zinc/68/16/20/572681620.db2.gz IYMAFLZVEJZLLU-ZETCQYMHSA-N 0 0 165.227 2.420 10 0 AEAERN CCC/C=C/CCNOCC 307867868 572681676 /nfs/dbraw/zinc/68/16/76/572681676.db2.gz KDASNPYYFRZKDK-VOTSOKGWSA-N 0 0 157.257 2.274 10 0 AEAERN OC1(c2nccc3ccccc23)CC1 54346618 572681678 /nfs/dbraw/zinc/68/16/78/572681678.db2.gz RUSJOKICQNKERU-UHFFFAOYSA-N 0 0 185.226 2.216 10 0 AEAERN CCN[C@@](C)(c1ccco1)C(F)F 87689109 572681694 /nfs/dbraw/zinc/68/16/94/572681694.db2.gz NFCAPCWXWCYWMR-VIFPVBQESA-N 0 0 189.205 2.369 10 0 AEAERN CCN[C@](C)(c1ccoc1)C(F)F 87688988 572681808 /nfs/dbraw/zinc/68/18/08/572681808.db2.gz AKHOKDDWLMZXEA-SECBINFHSA-N 0 0 189.205 2.369 10 0 AEAERN CCOc1ccc(C2(O)CC2)cc1 54346695 572681857 /nfs/dbraw/zinc/68/18/57/572681857.db2.gz WTKKMJLQLLYKAE-UHFFFAOYSA-N 0 0 178.231 2.067 10 0 AEAERN CN[C@@](C)(Cc1ccco1)C(F)F 87688821 572681871 /nfs/dbraw/zinc/68/18/71/572681871.db2.gz IXACSLUGZGEZSP-VIFPVBQESA-N 0 0 189.205 2.065 10 0 AEAERN Cc1cnccc1S[C@@H](C)CCO 85143573 572681947 /nfs/dbraw/zinc/68/19/47/572681947.db2.gz QVLJQDHAMPKSQK-VIFPVBQESA-N 0 0 197.303 2.253 10 0 AEAERN CCN[C@@](C)(c1ccoc1)C(F)F 87688987 572681956 /nfs/dbraw/zinc/68/19/56/572681956.db2.gz AKHOKDDWLMZXEA-VIFPVBQESA-N 0 0 189.205 2.369 10 0 AEAERN C[C@@H](CCO)SCc1ccco1 85146050 572681986 /nfs/dbraw/zinc/68/19/86/572681986.db2.gz GWLOUOUDKBKVLG-QMMMGPOBSA-N 0 0 186.276 2.284 10 0 AEAERN CCC[C@@]1(O)CCO[C@H](C(C)C)C1 70370711 572682027 /nfs/dbraw/zinc/68/20/27/572682027.db2.gz LQGUQRYEMJQZFN-WDEREUQCSA-N 0 0 186.295 2.353 10 0 AEAERN OC1(CCc2ccccc2)CC1 54346175 572682181 /nfs/dbraw/zinc/68/21/81/572682181.db2.gz PDVWNHMJXREAJF-UHFFFAOYSA-N 0 0 162.232 2.144 10 0 AEAERN CCC[C@@]1(O)CCO[C@@H](C(C)C)C1 70370713 572682226 /nfs/dbraw/zinc/68/22/26/572682226.db2.gz LQGUQRYEMJQZFN-GHMZBOCLSA-N 0 0 186.295 2.353 10 0 AEAERN CCCN[C@@](CC)(COC)C(F)F 87689272 572682245 /nfs/dbraw/zinc/68/22/45/572682245.db2.gz AYRHXKLNSWKDEC-VIFPVBQESA-N 0 0 195.253 2.046 10 0 AEAERN Cc1ccc(C2(O)CC2)s1 54346639 572682306 /nfs/dbraw/zinc/68/23/06/572682306.db2.gz YJQMCWJOFCYBIV-UHFFFAOYSA-N 0 0 154.234 2.038 10 0 AEAERN CCc1cc(C)ccc1CC(=O)OC 116290507 572682350 /nfs/dbraw/zinc/68/23/50/572682350.db2.gz XOUJZVBPQKVBPM-UHFFFAOYSA-N 0 0 192.258 2.273 10 0 AEAERN C[C@@H](CCO)Sc1ccc(N)cc1 85142102 572682449 /nfs/dbraw/zinc/68/24/49/572682449.db2.gz JLRBXOBWXCHOKB-QMMMGPOBSA-N 0 0 197.303 2.132 10 0 AEAERN C[C@@H](CCO)Sc1ccccc1N 85142072 572682474 /nfs/dbraw/zinc/68/24/74/572682474.db2.gz VURCJCCUZCDKHN-QMMMGPOBSA-N 0 0 197.303 2.132 10 0 AEAERN C[C@H](CCO)Sc1ccc(N)cc1 85142103 572682478 /nfs/dbraw/zinc/68/24/78/572682478.db2.gz JLRBXOBWXCHOKB-MRVPVSSYSA-N 0 0 197.303 2.132 10 0 AEAERN Cc1cccnc1S[C@H](C)CCO 85142809 572682494 /nfs/dbraw/zinc/68/24/94/572682494.db2.gz VXAWLTPZDPUDCI-SECBINFHSA-N 0 0 197.303 2.253 10 0 AEAERN Cc1cccc(OCCC2(O)CC2)c1 54346651 572682556 /nfs/dbraw/zinc/68/25/56/572682556.db2.gz HNWFZZGZUYZDGY-UHFFFAOYSA-N 0 0 192.258 2.289 10 0 AEAERN OC1(c2ccc3c(c2)CCC3)CC1 54346637 572682569 /nfs/dbraw/zinc/68/25/69/572682569.db2.gz PNHKJTLRGDXLLV-UHFFFAOYSA-N 0 0 174.243 2.157 10 0 AEAERN C[C@H](CCO)SCc1ccco1 85146053 572682603 /nfs/dbraw/zinc/68/26/03/572682603.db2.gz GWLOUOUDKBKVLG-MRVPVSSYSA-N 0 0 186.276 2.284 10 0 AEAERN CCC[C@]1(O)CCO[C@H](C(C)C)C1 70370710 572682649 /nfs/dbraw/zinc/68/26/49/572682649.db2.gz LQGUQRYEMJQZFN-QWRGUYRKSA-N 0 0 186.295 2.353 10 0 AEAERN CCC[C@]1(O)CCO[C@@H](C(C)C)C1 70370712 572682721 /nfs/dbraw/zinc/68/27/21/572682721.db2.gz LQGUQRYEMJQZFN-MNOVXSKESA-N 0 0 186.295 2.353 10 0 AEAERN CN[C@](C)(CC(C)(C)OC)C(F)F 87688665 572682962 /nfs/dbraw/zinc/68/29/62/572682962.db2.gz JNDLUXYHKBTDBF-SECBINFHSA-N 0 0 195.253 2.045 10 0 AEAERN C(=C\c1ccc[nH]1)\c1ncsn1 307867747 572682982 /nfs/dbraw/zinc/68/29/82/572682982.db2.gz CPUMESVPMZMOKP-ARJAWSKDSA-N 0 0 177.232 2.037 10 0 AEAERN CO[C@@H]1CCC[C@](O)(c2ccoc2)C1 234790228 572683038 /nfs/dbraw/zinc/68/30/38/572683038.db2.gz ATYQFCDBGJMXJK-GHMZBOCLSA-N 0 0 196.246 2.056 10 0 AEAERN Cc1ccc(C2(O)CC2)cc1F 54346148 572683261 /nfs/dbraw/zinc/68/32/61/572683261.db2.gz OCWMVCPVZKBXEU-UHFFFAOYSA-N 0 0 166.195 2.116 10 0 AEAERN OC1(Cc2ccc(Cl)cc2)CC1 54346307 572683098 /nfs/dbraw/zinc/68/30/98/572683098.db2.gz JGTMMEUKIHJILV-UHFFFAOYSA-N 0 0 182.650 2.407 10 0 AEAERN Cc1ccc(C)c(C2(O)CC2)c1 54346642 572683116 /nfs/dbraw/zinc/68/31/16/572683116.db2.gz NRKZWVYUWCUWAK-UHFFFAOYSA-N 0 0 162.232 2.285 10 0 AEAERN Cc1ccc(C)c(CC2(O)CC2)c1 54346517 572683201 /nfs/dbraw/zinc/68/32/01/572683201.db2.gz CCXKNUHPHKSRNY-UHFFFAOYSA-N 0 0 176.259 2.371 10 0 AEAERN Cc1ccc(NCCCO)c(Cl)c1 48655160 572683205 /nfs/dbraw/zinc/68/32/05/572683205.db2.gz SSBANCHLGIEHMA-UHFFFAOYSA-N 0 0 199.681 2.443 10 0 AEAERN C[C@H](CCO)Sc1cccc(N)c1 85142069 572683743 /nfs/dbraw/zinc/68/37/43/572683743.db2.gz XWETUYJEHMBAAP-MRVPVSSYSA-N 0 0 197.303 2.132 10 0 AEAERN CNc1cccc(-c2cncnc2)c1 234538731 572683240 /nfs/dbraw/zinc/68/32/40/572683240.db2.gz PWNODEHKVPZDSG-UHFFFAOYSA-N 0 0 185.230 2.185 10 0 AEAERN Cc1ccnc(S[C@H](C)CCO)c1 85143586 572683412 /nfs/dbraw/zinc/68/34/12/572683412.db2.gz QCSYIWZMBKLYCT-SECBINFHSA-N 0 0 197.303 2.253 10 0 AEAERN Cc1ccnc(S[C@@H](C)CCO)c1 85143585 572683463 /nfs/dbraw/zinc/68/34/63/572683463.db2.gz QCSYIWZMBKLYCT-VIFPVBQESA-N 0 0 197.303 2.253 10 0 AEAERN CCC[NH2+][C@](C)(CC)C(F)F 87689447 572683514 /nfs/dbraw/zinc/68/35/14/572683514.db2.gz XPPGVVSRLSPNQJ-MRVPVSSYSA-N 0 0 165.227 2.420 10 0 AEAERN Cc1ccc(CC2(O)CC2)cc1C 54346532 572683534 /nfs/dbraw/zinc/68/35/34/572683534.db2.gz UKWDLDZLBVWWQZ-UHFFFAOYSA-N 0 0 176.259 2.371 10 0 AEAERN Cc1cnccc1S[C@H](C)CCO 85143575 572683691 /nfs/dbraw/zinc/68/36/91/572683691.db2.gz QVLJQDHAMPKSQK-SECBINFHSA-N 0 0 197.303 2.253 10 0 AEAERN Cc1ccc(S[C@H](C)CCO)nc1 85143360 572683727 /nfs/dbraw/zinc/68/37/27/572683727.db2.gz XIMQARRZIKHKSX-SECBINFHSA-N 0 0 197.303 2.253 10 0 AEAERN Cc1ccc(S[C@@H](C)CCO)nc1 85143358 572683762 /nfs/dbraw/zinc/68/37/62/572683762.db2.gz XIMQARRZIKHKSX-VIFPVBQESA-N 0 0 197.303 2.253 10 0 AEAERN C[C@H](CCO)Sc1ccccc1N 85142074 572683837 /nfs/dbraw/zinc/68/38/37/572683837.db2.gz VURCJCCUZCDKHN-MRVPVSSYSA-N 0 0 197.303 2.132 10 0 AEAERN CC(=O)C[C@H](O)[C@@H](C)CC=C(C)C 238408693 572683839 /nfs/dbraw/zinc/68/38/39/572683839.db2.gz WZTXQQZUDJSAGV-ONGXEEELSA-N 0 0 184.279 2.319 10 0 AEAERN Cc1cccnc1S[C@@H](C)CCO 85142808 572683881 /nfs/dbraw/zinc/68/38/81/572683881.db2.gz VXAWLTPZDPUDCI-VIFPVBQESA-N 0 0 197.303 2.253 10 0 AEAERN Cc1c(C(N)=S)oc2ccccc12 77067919 572683893 /nfs/dbraw/zinc/68/38/93/572683893.db2.gz WHAITPRXWPBJNG-UHFFFAOYSA-N 0 0 191.255 2.375 10 0 AEAERN OC1(CCSCC2CCC2)CC1 308094888 572684135 /nfs/dbraw/zinc/68/41/35/572684135.db2.gz XGDMAZJCFSTYSR-UHFFFAOYSA-N 0 0 186.320 2.435 10 0 AEAERN CC[C@H](C)CC(=O)CSC 54494355 572694841 /nfs/dbraw/zinc/69/48/41/572694841.db2.gz XSUJOHVDDCBPCA-ZETCQYMHSA-N 0 0 160.282 2.355 10 0 AEAERN CCCCCC=C1NC(=S)NC1=O 73315459 572684167 /nfs/dbraw/zinc/68/41/67/572684167.db2.gz AUBPBPRNHDSTSC-SREVYHEPSA-N 0 0 198.291 2.295 10 0 AEAERN C/C=C1\[C@H](C)C[C@H](C)C[C@H]1O 307870010 572684402 /nfs/dbraw/zinc/68/44/02/572684402.db2.gz IOICIKUWNCPVCN-JTLMYWPJSA-N 0 0 154.253 2.360 10 0 AEAERN CC(C)n1c(=S)[nH]c2cncnc21 116349833 572684399 /nfs/dbraw/zinc/68/43/99/572684399.db2.gz SBSVXFZRGRYKLQ-UHFFFAOYSA-N 0 0 194.263 2.070 10 0 AEAERN Cc1cccc(S[C@H](C)CCO)n1 85143364 572684432 /nfs/dbraw/zinc/68/44/32/572684432.db2.gz WZRCFLWIUXDADV-SECBINFHSA-N 0 0 197.303 2.253 10 0 AEAERN CCCC(=O)O[C@@H](C)C1CC1 307869661 572684451 /nfs/dbraw/zinc/68/44/51/572684451.db2.gz KUKFJYQBVWBPDZ-ZETCQYMHSA-N 0 0 156.225 2.128 10 0 AEAERN CNc1cccc(-c2cnn(C)c2)c1 234538776 572684482 /nfs/dbraw/zinc/68/44/82/572684482.db2.gz DMHVBLITUDCJEL-UHFFFAOYSA-N 0 0 187.246 2.129 10 0 AEAERN CNc1cccc(-c2ccnn2C)c1 234538138 572684758 /nfs/dbraw/zinc/68/47/58/572684758.db2.gz QVSGQVQBLBGVOF-UHFFFAOYSA-N 0 0 187.246 2.129 10 0 AEAERN CC[C@H](NN)C(C)(C)C(C)(C)C 308094931 572684899 /nfs/dbraw/zinc/68/48/99/572684899.db2.gz XKMLYBCRCNJKAP-QMMMGPOBSA-N 0 0 172.316 2.301 10 0 AEAERN CCc1c(CO)oc2ccccc12 77067963 572685016 /nfs/dbraw/zinc/68/50/16/572685016.db2.gz RBTUXJKEHJLWFI-UHFFFAOYSA-N 0 0 176.215 2.488 10 0 AEAERN CC[C@@H](C)[C@@H](O)[C@@H]1CCCS1 87703198 572685041 /nfs/dbraw/zinc/68/50/41/572685041.db2.gz HOGLTZULSWOKHB-HRDYMLBCSA-N 0 0 174.309 2.289 10 0 AEAERN CCCCOC(=O)c1cncc(C)c1 91782914 572686594 /nfs/dbraw/zinc/68/65/94/572686594.db2.gz CBFMEBQHTMEDCM-UHFFFAOYSA-N 0 0 193.246 2.347 10 0 AEAERN CCCCC(=O)c1cccnc1N 21985754 572685243 /nfs/dbraw/zinc/68/52/43/572685243.db2.gz IGLQNLXNRJLQCE-UHFFFAOYSA-N 0 0 178.235 2.037 10 0 AEAERN COCc1c(CO)oc2ccccc12 77068370 572686515 /nfs/dbraw/zinc/68/65/15/572686515.db2.gz LRISOVVINKQWOF-UHFFFAOYSA-N 0 0 192.214 2.072 10 0 AEAERN Cc1cnc(C)c(Cl)c1 21986346 572685305 /nfs/dbraw/zinc/68/53/05/572685305.db2.gz TZOLIFFKTHQGGU-UHFFFAOYSA-N 0 0 141.601 2.352 10 0 AEAERN O=C([O-])CCCC[NH2+]CCCC1CC1 236416988 572685411 /nfs/dbraw/zinc/68/54/11/572685411.db2.gz RTYQQFYBLOMCRK-UHFFFAOYSA-N 0 0 199.294 2.021 10 0 AEAERN C[C@@H]1Cc2cc(F)c(F)cc2C=N1 21987309 572688579 /nfs/dbraw/zinc/68/85/79/572688579.db2.gz RQJBDKIEWJVMJD-ZCFIWIBFSA-N 0 0 181.185 2.328 10 0 AEAERN C/C=C\CCNc1nccnc1C 308094817 572685546 /nfs/dbraw/zinc/68/55/46/572685546.db2.gz YRBODBQOFYXLOG-ARJAWSKDSA-N 0 0 177.251 2.163 10 0 AEAERN CO[C@H](c1nc(O)c(C)[nH]1)C(C)(C)C 234792204 572685588 /nfs/dbraw/zinc/68/55/88/572685588.db2.gz XBBUFCUFYSZAOO-SSDOTTSWSA-N 0 0 198.266 2.157 10 0 AEAERN COCc1c(N)oc2c(C)cccc12 77068485 572685794 /nfs/dbraw/zinc/68/57/94/572685794.db2.gz YIGHTDUYUXVGNM-UHFFFAOYSA-N 0 0 191.230 2.470 10 0 AEAERN CC[C@@H](NN)C(C)(C)C(C)(C)C 308094930 572685968 /nfs/dbraw/zinc/68/59/68/572685968.db2.gz XKMLYBCRCNJKAP-MRVPVSSYSA-N 0 0 172.316 2.301 10 0 AEAERN CC[C@@H](C)[C@H](O)[C@@H]1CCCS1 87703194 572686391 /nfs/dbraw/zinc/68/63/91/572686391.db2.gz HOGLTZULSWOKHB-VGMNWLOBSA-N 0 0 174.309 2.289 10 0 AEAERN COCc1c(C=O)oc2ccccc12 77068372 572686563 /nfs/dbraw/zinc/68/65/63/572686563.db2.gz ISBPGRATPFJZAW-UHFFFAOYSA-N 0 0 190.198 2.392 10 0 AEAERN COCc1c(N)oc2ccc(C)cc12 77069286 572686474 /nfs/dbraw/zinc/68/64/74/572686474.db2.gz TXJGBKYAQSKSET-UHFFFAOYSA-N 0 0 191.230 2.470 10 0 AEAERN C/C=C\C/C=C/CCCO 209500545 572686488 /nfs/dbraw/zinc/68/64/88/572686488.db2.gz CJIIZYVQSATXFR-NDEAWQBTSA-N 0 0 140.226 2.281 10 0 AEAERN Nc1ccc(Cc2ccccc2)c(N)c1 116407238 572686577 /nfs/dbraw/zinc/68/65/77/572686577.db2.gz VOJDKVJGMMUXQG-UHFFFAOYSA-N 0 0 198.269 2.442 10 0 AEAERN COCc1c(N)oc2ccccc12 77068429 572686658 /nfs/dbraw/zinc/68/66/58/572686658.db2.gz LRSMUDIEYSGREJ-UHFFFAOYSA-N 0 0 177.203 2.161 10 0 AEAERN CCOCCCC(=O)CC(F)(F)F 689548252 572686955 /nfs/dbraw/zinc/68/69/55/572686955.db2.gz WEISETDOKHLDJV-UHFFFAOYSA-N 0 0 198.184 2.325 10 0 AEAERN C[N@@H+]1CC[C@H]2CCc3ccncc3[C@H]21 13600374 572687014 /nfs/dbraw/zinc/68/70/14/572687014.db2.gz ZZGFWRKTYORFQP-PWSUYJOCSA-N 0 0 188.274 2.021 10 0 AEAERN C/C=C\CC(=O)C/C=C\C 116395373 572687075 /nfs/dbraw/zinc/68/70/75/572687075.db2.gz ZRCRLKQAPYZBOE-GLIMQPGKSA-N 0 0 138.210 2.488 10 0 AEAERN CCN(c1ccc(C=O)cn1)C(C)C 87717482 572688605 /nfs/dbraw/zinc/68/86/05/572688605.db2.gz FUFMQTBERHHIHC-UHFFFAOYSA-N 0 0 192.262 2.129 10 0 AEAERN Cc1nc(-c2cccc(O)c2)[nH]c1C 66141468 572688607 /nfs/dbraw/zinc/68/86/07/572688607.db2.gz 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/nfs/dbraw/zinc/69/13/58/572691358.db2.gz RMVRUSSCGNRZNZ-UHFFFAOYSA-N 0 0 197.303 2.384 10 0 AEAERN C[NH2+]Cc1cc(C)oc1C(C)C 77072378 572691359 /nfs/dbraw/zinc/69/13/59/572691359.db2.gz VBYFFAJMISJACJ-UHFFFAOYSA-N 0 0 167.252 2.431 10 0 AEAERN Cc1oc(-c2cccnc2)cc1CO 77075320 572691410 /nfs/dbraw/zinc/69/14/10/572691410.db2.gz NQQFGSUPALZVSB-UHFFFAOYSA-N 0 0 189.214 2.142 10 0 AEAERN CCC[C@@H](O)c1cncn1C1CC1 85190744 572691608 /nfs/dbraw/zinc/69/16/08/572691608.db2.gz BOYJFPXKDNMXQL-SNVBAGLBSA-N 0 0 180.251 2.052 10 0 AEAERN CCCC[C@H](O)c1cncn1CC 85185003 572691696 /nfs/dbraw/zinc/69/16/96/572691696.db2.gz URZOCNRQMKEHHN-JTQLQIEISA-N 0 0 182.267 2.127 10 0 AEAERN Cc1oc(-c2ccncc2)cc1C[NH3+] 77075416 572691708 /nfs/dbraw/zinc/69/17/08/572691708.db2.gz VTPUUWZVYZPFIA-UHFFFAOYSA-N 0 0 188.230 2.109 10 0 AEAERN Cc1cc(CO)c(C(C)C)o1 77072376 572692813 /nfs/dbraw/zinc/69/28/13/572692813.db2.gz NXUUXCYNBLHRHS-UHFFFAOYSA-N 0 0 154.209 2.204 10 0 AEAERN Cc1oc(-c2ccccn2)cc1CO 77075245 572691751 /nfs/dbraw/zinc/69/17/51/572691751.db2.gz NVTOBYDODPZLJS-UHFFFAOYSA-N 0 0 189.214 2.142 10 0 AEAERN CSCC(=O)Cc1cccs1 54494306 572691774 /nfs/dbraw/zinc/69/17/74/572691774.db2.gz OBINBKZWANDGED-UHFFFAOYSA-N 0 0 186.301 2.223 10 0 AEAERN C[C@@H]1SC[C@@H]2CCC(=O)C[C@@H]12 253485764 572691803 /nfs/dbraw/zinc/69/18/03/572691803.db2.gz QYWCAONFURWLPN-ZKWXMUAHSA-N 0 0 170.277 2.107 10 0 AEAERN C[NH2+]Cc1cc(C)oc1C(F)(F)F 77072586 572692908 /nfs/dbraw/zinc/69/29/08/572692908.db2.gz QPOXMADWFDLFEZ-UHFFFAOYSA-N 0 0 193.168 2.326 10 0 AEAERN Cc1oc(-c2cccnc2)cc1C[NH3+] 77075341 572691959 /nfs/dbraw/zinc/69/19/59/572691959.db2.gz OFKWPEMWTPJTOA-UHFFFAOYSA-N 0 0 188.230 2.109 10 0 AEAERN Cc1cc(CO)c(C(C)(C)C)o1 77072483 572691989 /nfs/dbraw/zinc/69/19/89/572691989.db2.gz IZBPVEAWSCSKTA-UHFFFAOYSA-N 0 0 168.236 2.378 10 0 AEAERN Cc1cc(C[NH3+])c(C(C)(C)C)o1 77072504 572692075 /nfs/dbraw/zinc/69/20/75/572692075.db2.gz CKSGPWAREYPNFF-UHFFFAOYSA-N 0 0 167.252 2.344 10 0 AEAERN CCC[C@H](O)c1cncn1C(C)C 85188891 572692099 /nfs/dbraw/zinc/69/20/99/572692099.db2.gz CWSHVLMJFFBZAK-JTQLQIEISA-N 0 0 182.267 2.298 10 0 AEAERN CSC[C@H](O)Cc1cccs1 54494757 572692186 /nfs/dbraw/zinc/69/21/86/572692186.db2.gz MDRPIEOMDJKIEL-SSDOTTSWSA-N 0 0 188.317 2.015 10 0 AEAERN CCc1oc(C(C)C)cc1CO 77075768 572692256 /nfs/dbraw/zinc/69/22/56/572692256.db2.gz UFGXCTGAXJELKR-UHFFFAOYSA-N 0 0 168.236 2.458 10 0 AEAERN CCCC[C@@H](O)c1cncn1C1CC1 85190748 572692273 /nfs/dbraw/zinc/69/22/73/572692273.db2.gz IYXAWERGVKLTOY-LLVKDONJSA-N 0 0 194.278 2.442 10 0 AEAERN CC[C@H](C)CNc1ncccc1N 54466650 572692288 /nfs/dbraw/zinc/69/22/88/572692288.db2.gz WMKPWSGBFVWEJW-QMMMGPOBSA-N 0 0 179.267 2.122 10 0 AEAERN C/C=C/CS[C@@H](C)CC(=O)OC 85160602 572692291 /nfs/dbraw/zinc/69/22/91/572692291.db2.gz VLVHNDZLNDDCBC-ZJELKQJVSA-N 0 0 188.292 2.247 10 0 AEAERN CSC[C@@H](O)CCC(C)C 54494539 572692299 /nfs/dbraw/zinc/69/22/99/572692299.db2.gz KYXODMWQPUBCRP-QMMMGPOBSA-N 0 0 162.298 2.147 10 0 AEAERN CSC[C@@H](O)Cc1ccsc1 54494825 572692338 /nfs/dbraw/zinc/69/23/38/572692338.db2.gz WKRWLSZRNMGKKR-QMMMGPOBSA-N 0 0 188.317 2.015 10 0 AEAERN Cc1oc(-c2ccccn2)cc1C[NH3+] 77075266 572692346 /nfs/dbraw/zinc/69/23/46/572692346.db2.gz DRHXJWWIMXIYHO-UHFFFAOYSA-N 0 0 188.230 2.109 10 0 AEAERN CCOCCOc1ccccc1NC 66172153 572692375 /nfs/dbraw/zinc/69/23/75/572692375.db2.gz SKOZVKHWBUQYJE-UHFFFAOYSA-N 0 0 195.262 2.144 10 0 AEAERN CC[NH2+]Cc1cc(C)oc1CC 77075660 572692518 /nfs/dbraw/zinc/69/25/18/572692518.db2.gz CZJBWWIXUVHBCG-UHFFFAOYSA-N 0 0 167.252 2.260 10 0 AEAERN CSC[C@@H](O)c1cccc(C)c1 54494639 572692529 /nfs/dbraw/zinc/69/25/29/572692529.db2.gz ZOWQWANYZBMEBJ-SNVBAGLBSA-N 0 0 182.288 2.391 10 0 AEAERN CSC[C@H](O)c1cccc(F)c1 54494651 572692570 /nfs/dbraw/zinc/69/25/70/572692570.db2.gz WKGJPKCVNGFQEA-VIFPVBQESA-N 0 0 186.251 2.222 10 0 AEAERN Cc1cc(C[NH3+])c(C(C)C)o1 77072396 572692602 /nfs/dbraw/zinc/69/26/02/572692602.db2.gz MQCSVEAIXJRVSU-UHFFFAOYSA-N 0 0 153.225 2.170 10 0 AEAERN CC[C@H](C)C[C@H](O)c1cncn1CC 85185153 572692825 /nfs/dbraw/zinc/69/28/25/572692825.db2.gz MANHGCQPGSQJFT-ONGXEEELSA-N 0 0 196.294 2.373 10 0 AEAERN C/C(=C\CO)CC[C@@H](C)C(C)(C)O 238410832 572692833 /nfs/dbraw/zinc/69/28/33/572692833.db2.gz TYTUBIPCURJZPU-TTZKWOQHSA-N 0 0 186.295 2.112 10 0 AEAERN CC[C@H](C)CNc1ccc(N)cn1 54466708 572693013 /nfs/dbraw/zinc/69/30/13/572693013.db2.gz WJNHZMNQEJZSMM-QMMMGPOBSA-N 0 0 179.267 2.122 10 0 AEAERN CCc1oc(C(F)(F)F)cc1CO 77075962 572693056 /nfs/dbraw/zinc/69/30/56/572693056.db2.gz NPQKCAQNRPTPHX-UHFFFAOYSA-N 0 0 194.152 2.353 10 0 AEAERN C[C@]12CC[C@@H]3CCO[C@H]3[C@H]1C2 253484407 572693118 /nfs/dbraw/zinc/69/31/18/572693118.db2.gz HAOCMYRCGRCFBH-ZYUZMQFOSA-N 0 0 152.237 2.212 10 0 AEAERN Cc1cc(C(N)=S)c(C(C)C)o1 77072389 572693119 /nfs/dbraw/zinc/69/31/19/572693119.db2.gz ZZCNAKWSFNKVNJ-UHFFFAOYSA-N 0 0 183.276 2.346 10 0 AEAERN CCc1oc(C)cc1C[NH2+]C1CC1 77075663 572693147 /nfs/dbraw/zinc/69/31/47/572693147.db2.gz NCSZLHUQRHKSLF-UHFFFAOYSA-N 0 0 179.263 2.402 10 0 AEAERN CCOCCOc1cccc(NC)c1 66172154 572693177 /nfs/dbraw/zinc/69/31/77/572693177.db2.gz ONWHVTAVGGLWBU-UHFFFAOYSA-N 0 0 195.262 2.144 10 0 AEAERN CCCC[C@H](O)c1cncn1C1CC1 85190747 572693273 /nfs/dbraw/zinc/69/32/73/572693273.db2.gz IYXAWERGVKLTOY-NSHDSACASA-N 0 0 194.278 2.442 10 0 AEAERN Cc1cocc1[C@@H](C)OCCCO 238410121 572693356 /nfs/dbraw/zinc/69/33/56/572693356.db2.gz OHDMMXVRSFAWRB-SECBINFHSA-N 0 0 184.235 2.048 10 0 AEAERN CCCCC[C@@H](O)CSC 54494557 572693360 /nfs/dbraw/zinc/69/33/60/572693360.db2.gz QZABMOKHRIZHKX-MRVPVSSYSA-N 0 0 162.298 2.291 10 0 AEAERN C[C@H]1Cc2c(cc(F)c(F)c2F)N1 713733294 572693481 /nfs/dbraw/zinc/69/34/81/572693481.db2.gz DNXLHOAOISCXJK-BYPYZUCNSA-N 0 0 187.164 2.460 10 0 AEAERN CC[C@@H](C)C[C@H](O)c1cncn1CC 85185152 572693501 /nfs/dbraw/zinc/69/35/01/572693501.db2.gz MANHGCQPGSQJFT-KOLCDFICSA-N 0 0 196.294 2.373 10 0 AEAERN CC[C@@H](C)C[C@H](O)CSC 54494840 572693652 /nfs/dbraw/zinc/69/36/52/572693652.db2.gz DATGJPSVXZCWDT-SFYZADRCSA-N 0 0 162.298 2.147 10 0 AEAERN C[C@@H]1Cc2c(cc(F)c(F)c2F)N1 713733295 572693670 /nfs/dbraw/zinc/69/36/70/572693670.db2.gz DNXLHOAOISCXJK-SCSAIBSYSA-N 0 0 187.164 2.460 10 0 AEAERN CC1(Nc2nccnc2C(F)F)CC1 307620810 572693723 /nfs/dbraw/zinc/69/37/23/572693723.db2.gz BELYGYQRCRDXTK-UHFFFAOYSA-N 0 0 199.204 2.379 10 0 AEAERN CSC[C@H](O)c1ccccc1C 54494665 572693811 /nfs/dbraw/zinc/69/38/11/572693811.db2.gz YROBLMMTXXLJRF-JTQLQIEISA-N 0 0 182.288 2.391 10 0 AEAERN CC(C)(F)C(=O)C[C@@H]1CCCOC1 689548811 572693823 /nfs/dbraw/zinc/69/38/23/572693823.db2.gz XYJBPTVSZALHMA-QMMMGPOBSA-N 0 0 188.242 2.120 10 0 AEAERN CCC[C@H](O)c1cncn1C1CC1 85190743 572693845 /nfs/dbraw/zinc/69/38/45/572693845.db2.gz BOYJFPXKDNMXQL-JTQLQIEISA-N 0 0 180.251 2.052 10 0 AEAERN NOC/C=C\C1CCCCC1 714530828 572693848 /nfs/dbraw/zinc/69/38/48/572693848.db2.gz GTZAJYNXWRGMDV-DAXSKMNVSA-N 0 0 155.241 2.013 10 0 AEAERN CP(CCCCO)c1ccccc1 238415110 572694083 /nfs/dbraw/zinc/69/40/83/572694083.db2.gz BYHZMOZOIWVWIR-UHFFFAOYSA-N 0 0 196.230 2.196 10 0 AEAERN O=C(NCCCF)Oc1ccccc1 117455107 572693891 /nfs/dbraw/zinc/69/38/91/572693891.db2.gz HUQUCVFCGJUXPL-UHFFFAOYSA-N 0 0 197.209 2.135 10 0 AEAERN CSC[C@H](O)Cc1ccsc1 54494823 572693899 /nfs/dbraw/zinc/69/38/99/572693899.db2.gz WKRWLSZRNMGKKR-MRVPVSSYSA-N 0 0 188.317 2.015 10 0 AEAERN CC[C@@H](C)CC(=O)CSC 54494353 572693907 /nfs/dbraw/zinc/69/39/07/572693907.db2.gz XSUJOHVDDCBPCA-SSDOTTSWSA-N 0 0 160.282 2.355 10 0 AEAERN C[C@]12CC[C@@H]3CCO[C@@H]3[C@H]1C2 253484405 572694032 /nfs/dbraw/zinc/69/40/32/572694032.db2.gz HAOCMYRCGRCFBH-DOLQZWNJSA-N 0 0 152.237 2.212 10 0 AEAERN CSC[C@@H](O)c1ccccc1C 54494663 572694177 /nfs/dbraw/zinc/69/41/77/572694177.db2.gz YROBLMMTXXLJRF-SNVBAGLBSA-N 0 0 182.288 2.391 10 0 AEAERN CCn1cncc1[C@@H](O)CCC(C)C 85185055 572694223 /nfs/dbraw/zinc/69/42/23/572694223.db2.gz AHRVCQNPKQUKGP-NSHDSACASA-N 0 0 196.294 2.373 10 0 AEAERN CCCn1cncc1Cn1cccc1 85192659 572694233 /nfs/dbraw/zinc/69/42/33/572694233.db2.gz PERJGVZOYFMNGB-UHFFFAOYSA-N 0 0 189.262 2.143 10 0 AEAERN CSC[C@@H](O)c1cccc(F)c1 54494653 572694250 /nfs/dbraw/zinc/69/42/50/572694250.db2.gz WKGJPKCVNGFQEA-SECBINFHSA-N 0 0 186.251 2.222 10 0 AEAERN CCCn1cncc1[C@H](O)CC(C)C 85187070 572694304 /nfs/dbraw/zinc/69/43/04/572694304.db2.gz ZHTYUZJDCWCDDL-LLVKDONJSA-N 0 0 196.294 2.373 10 0 AEAERN CC(C)(F)C(=O)C[C@H]1CCCOC1 689548810 572694313 /nfs/dbraw/zinc/69/43/13/572694313.db2.gz XYJBPTVSZALHMA-MRVPVSSYSA-N 0 0 188.242 2.120 10 0 AEAERN CSC[C@@H](O)c1ccccc1F 54494706 572694381 /nfs/dbraw/zinc/69/43/81/572694381.db2.gz IHQVDGACOSYSGI-SECBINFHSA-N 0 0 186.251 2.222 10 0 AEAERN CC[C@@H](C)C[C@@H](O)c1cncn1CC 85185154 572694453 /nfs/dbraw/zinc/69/44/53/572694453.db2.gz MANHGCQPGSQJFT-MWLCHTKSSA-N 0 0 196.294 2.373 10 0 AEAERN CCCn1cncc1[C@@H](O)C(C)(C)C 85187198 572694495 /nfs/dbraw/zinc/69/44/95/572694495.db2.gz UJVUVCWTLBIDBL-SNVBAGLBSA-N 0 0 196.294 2.373 10 0 AEAERN CCCOc1cccc(NC#N)c1 66182638 572694505 /nfs/dbraw/zinc/69/45/05/572694505.db2.gz BLALORHIUUETEZ-UHFFFAOYSA-N 0 0 176.219 2.368 10 0 AEAERN CC(C)Oc1cccc(NC#N)c1 66182635 572694572 /nfs/dbraw/zinc/69/45/72/572694572.db2.gz VVKRBQNPEZBALA-UHFFFAOYSA-N 0 0 176.219 2.367 10 0 AEAERN CCCCC[C@H](O)CSC 54494555 572694636 /nfs/dbraw/zinc/69/46/36/572694636.db2.gz QZABMOKHRIZHKX-QMMMGPOBSA-N 0 0 162.298 2.291 10 0 AEAERN Cn1cc2c(=O)[nH]c3ccccc3c2c1 117530919 572694785 /nfs/dbraw/zinc/69/47/85/572694785.db2.gz KNZWTCARYHPIJB-UHFFFAOYSA-N 0 0 198.225 2.020 10 0 AEAERN C[C@H](CCCC(N)=O)C1CCCC1 238415613 572695199 /nfs/dbraw/zinc/69/51/99/572695199.db2.gz BDBITBKKJMKPLG-SECBINFHSA-N 0 0 183.295 2.468 10 0 AEAERN CC[C@H](C)C[C@@H](O)CSC 54494846 572694809 /nfs/dbraw/zinc/69/48/09/572694809.db2.gz DATGJPSVXZCWDT-JGVFFNPUSA-N 0 0 162.298 2.147 10 0 AEAERN CSCC(=O)Cc1ccsc1 54494346 572694991 /nfs/dbraw/zinc/69/49/91/572694991.db2.gz RDEWKSYQIXWVRA-UHFFFAOYSA-N 0 0 186.301 2.223 10 0 AEAERN C[C@@H]([NH3+])CCC(C)(C)CCC(=O)[O-] 238415141 572695057 /nfs/dbraw/zinc/69/50/57/572695057.db2.gz JRKBVHZGTDVYOS-MRVPVSSYSA-N 0 0 187.283 2.005 10 0 AEAERN CSC[C@@H](O)Cc1cccs1 54494759 572695059 /nfs/dbraw/zinc/69/50/59/572695059.db2.gz MDRPIEOMDJKIEL-ZETCQYMHSA-N 0 0 188.317 2.015 10 0 AEAERN CSCC(=O)CCC(C)C 54494332 572695082 /nfs/dbraw/zinc/69/50/82/572695082.db2.gz MNZHRQUNECYNND-UHFFFAOYSA-N 0 0 160.282 2.355 10 0 AEAERN CSC[C@H](O)CCC(C)C 54494540 572695269 /nfs/dbraw/zinc/69/52/69/572695269.db2.gz KYXODMWQPUBCRP-MRVPVSSYSA-N 0 0 162.298 2.147 10 0 AEAERN Cc1ccc(C)c(/C=C\CON)c1 714531993 572695409 /nfs/dbraw/zinc/69/54/09/572695409.db2.gz NGQXQEISSKVAAX-ARJAWSKDSA-N 0 0 177.247 2.207 10 0 AEAERN CSC[C@H](O)c1ccccc1F 54494704 572695459 /nfs/dbraw/zinc/69/54/59/572695459.db2.gz IHQVDGACOSYSGI-VIFPVBQESA-N 0 0 186.251 2.222 10 0 AEAERN Cc1c(N)cccc1SCCCO 85162535 572695467 /nfs/dbraw/zinc/69/54/67/572695467.db2.gz QMVQIBPOVWAASS-UHFFFAOYSA-N 0 0 197.303 2.052 10 0 AEAERN CCCCCC(=O)CSC 54494297 572695471 /nfs/dbraw/zinc/69/54/71/572695471.db2.gz RZCJQGFRMARIOL-UHFFFAOYSA-N 0 0 160.282 2.499 10 0 AEAERN CC(C)Oc1ccccc1NC#N 66182644 572695511 /nfs/dbraw/zinc/69/55/11/572695511.db2.gz GYYOCCJMRYQLBX-UHFFFAOYSA-N 0 0 176.219 2.367 10 0 AEAERN CSC[C@H](O)CC1CCCC1 54494861 572695585 /nfs/dbraw/zinc/69/55/85/572695585.db2.gz UXTMVWQPMVECSX-SECBINFHSA-N 0 0 174.309 2.291 10 0 AEAERN CC[C@@H](C)CNc1ncccc1N 54466648 572695647 /nfs/dbraw/zinc/69/56/47/572695647.db2.gz WMKPWSGBFVWEJW-MRVPVSSYSA-N 0 0 179.267 2.122 10 0 AEAERN Cc1cc(SCCCO)ccc1N 85162539 572695684 /nfs/dbraw/zinc/69/56/84/572695684.db2.gz QXWYLFKXAAZUKL-UHFFFAOYSA-N 0 0 197.303 2.052 10 0 AEAERN CC[C@@H](C)C[C@@H](O)CSC 54494845 572695706 /nfs/dbraw/zinc/69/57/06/572695706.db2.gz DATGJPSVXZCWDT-HTQZYQBOSA-N 0 0 162.298 2.147 10 0 AEAERN CSC[C@@H](O)CC1CCCC1 54494862 572695710 /nfs/dbraw/zinc/69/57/10/572695710.db2.gz UXTMVWQPMVECSX-VIFPVBQESA-N 0 0 174.309 2.291 10 0 AEAERN CC[C@@H](C)CNc1ccc(N)cn1 54466706 572695830 /nfs/dbraw/zinc/69/58/30/572695830.db2.gz WJNHZMNQEJZSMM-MRVPVSSYSA-N 0 0 179.267 2.122 10 0 AEAERN CC[C@H](C)C[C@H](O)CSC 54494842 572695899 /nfs/dbraw/zinc/69/58/99/572695899.db2.gz DATGJPSVXZCWDT-YUMQZZPRSA-N 0 0 162.298 2.147 10 0 AEAERN OCCCSCc1cccs1 85163862 572696183 /nfs/dbraw/zinc/69/61/83/572696183.db2.gz PEWCAVCIUHUIRS-UHFFFAOYSA-N 0 0 188.317 2.364 10 0 AEAERN CSC[C@H](O)c1cccc(C)c1 54494641 572696345 /nfs/dbraw/zinc/69/63/45/572696345.db2.gz ZOWQWANYZBMEBJ-JTQLQIEISA-N 0 0 182.288 2.391 10 0 AEAERN CSCC(=O)CC1CCCC1 54494364 572696378 /nfs/dbraw/zinc/69/63/78/572696378.db2.gz CYCITBUVMPWNCL-UHFFFAOYSA-N 0 0 172.293 2.499 10 0 AEAERN C/C=C/CSC[C@@H](C)C(=O)OC 85161821 572696426 /nfs/dbraw/zinc/69/64/26/572696426.db2.gz QUNPLVFWRUEOAX-WTSVBCDHSA-N 0 0 188.292 2.105 10 0 AEAERN C[C@@H](CCC(N)=O)CC(C)(C)C 238415882 572696702 /nfs/dbraw/zinc/69/67/02/572696702.db2.gz GRLPDZGRQIPQKW-QMMMGPOBSA-N 0 0 171.284 2.324 10 0 AEAERN Cc1ccc(CSCCCO)o1 85163070 572697058 /nfs/dbraw/zinc/69/70/58/572697058.db2.gz KWRPQYBJKXOQDE-UHFFFAOYSA-N 0 0 186.276 2.204 10 0 AEAERN 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COC[C@@H](C)[C@@H]1CCCCC(=O)C1 70740615 572737551 /nfs/dbraw/zinc/73/75/51/572737551.db2.gz PGWAVGWVBRAABX-NXEZZACHSA-N 0 0 184.279 2.418 10 0 AEAERN CC[C@H](C)[C@H](O)[C@@H](C)/C=C\OC 308106940 572737652 /nfs/dbraw/zinc/73/76/52/572737652.db2.gz IHORBLKUTJKXGF-OETFYXPUSA-N 0 0 172.268 2.190 10 0 AEAERN CC(C)[C@@H]1[NH2+][C@@H](c2ccccc2)CO1 207954437 572737657 /nfs/dbraw/zinc/73/76/57/572737657.db2.gz VSVSVAPEZSLHAQ-VXGBXAGGSA-N 0 0 191.274 2.330 10 0 AEAERN COC[C@H](C)[C@@H]1CCCCC(=O)C1 70740614 572737742 /nfs/dbraw/zinc/73/77/42/572737742.db2.gz PGWAVGWVBRAABX-VHSXEESVSA-N 0 0 184.279 2.418 10 0 AEAERN CCc1cc2ccccc2c(=O)o1 22005019 572737777 /nfs/dbraw/zinc/73/77/77/572737777.db2.gz XSQAJRXOZBNXPX-UHFFFAOYSA-N 0 0 174.199 2.355 10 0 AEAERN CCc1cc2cccc(F)c2c(=O)o1 22005041 572737808 /nfs/dbraw/zinc/73/78/08/572737808.db2.gz MABPVJQBYUTNSP-UHFFFAOYSA-N 0 0 192.189 2.495 10 0 AEAERN Cc1cc(CCCCO)ccc1O 238476058 572737851 /nfs/dbraw/zinc/73/78/51/572737851.db2.gz XARGAWRPIVOYAG-UHFFFAOYSA-N 0 0 180.247 2.016 10 0 AEAERN CC(C)OCCC[C@@H](O)CC1CC1 689502955 572737910 /nfs/dbraw/zinc/73/79/10/572737910.db2.gz DLHUAZCORRMEHC-LLVKDONJSA-N 0 0 186.295 2.353 10 0 AEAERN O=C1CCCC[C@H](c2cncnc2)C1 70740184 572737924 /nfs/dbraw/zinc/73/79/24/572737924.db2.gz HDPVCZWTWZAPHH-VIFPVBQESA-N 0 0 190.246 2.093 10 0 AEAERN Cn1cc([C@H]2CCCCC(=O)C2)cn1 70740497 572737962 /nfs/dbraw/zinc/73/79/62/572737962.db2.gz CPHHLZFWBBPVGB-VIFPVBQESA-N 0 0 192.262 2.037 10 0 AEAERN CC(C)OCCC[C@H](O)CC1CC1 689502960 572738166 /nfs/dbraw/zinc/73/81/66/572738166.db2.gz DLHUAZCORRMEHC-NSHDSACASA-N 0 0 186.295 2.353 10 0 AEAERN CC[C@H](C)[C@@H](O)CC(C)(C)OC 230984676 572738172 /nfs/dbraw/zinc/73/81/72/572738172.db2.gz PDAOYGKPCYIGOC-IUCAKERBSA-N 0 0 174.284 2.209 10 0 AEAERN C/C(=C/CCc1ccco1)CO 238479133 572738328 /nfs/dbraw/zinc/73/83/28/572738328.db2.gz JULKEKWNFHHDBS-WTKPLQERSA-N 0 0 166.220 2.151 10 0 AEAERN C[C@H](O)[C@H](C)O[C@@H](C)C(C)(C)C 238482480 572738439 /nfs/dbraw/zinc/73/84/39/572738439.db2.gz OINLRDQYIWIBIA-CIUDSAMLSA-N 0 0 174.284 2.207 10 0 AEAERN Cc1cnc(N)c(-c2ccc(N)cc2)c1 238482746 572738502 /nfs/dbraw/zinc/73/85/02/572738502.db2.gz NPHXJGZNBOXUPH-UHFFFAOYSA-N 0 0 199.257 2.221 10 0 AEAERN Cc1ccc([C@]2(O)CC[C@H](C)C2)cn1 70764406 572738559 /nfs/dbraw/zinc/73/85/59/572738559.db2.gz GAUQCAOWSJWISA-CABZTGNLSA-N 0 0 191.274 2.398 10 0 AEAERN CC[C@@H]1CC[C@@](O)(c2cccnc2)C1 70765837 572738653 /nfs/dbraw/zinc/73/86/53/572738653.db2.gz CLEMEXWILDWOAB-PWSUYJOCSA-N 0 0 191.274 2.479 10 0 AEAERN CO[C@H]1CCC[C@@](O)(c2ccco2)C1 234818108 572738839 /nfs/dbraw/zinc/73/88/39/572738839.db2.gz SEDGZAMLROZMJK-ONGXEEELSA-N 0 0 196.246 2.056 10 0 AEAERN CC[C@@H]1CC[C@](O)(c2cccnc2)C1 70765831 572738945 /nfs/dbraw/zinc/73/89/45/572738945.db2.gz CLEMEXWILDWOAB-ZYHUDNBSSA-N 0 0 191.274 2.479 10 0 AEAERN CC[C@H]1CC[C@@](O)(C2CCOCC2)C1 70765518 572739044 /nfs/dbraw/zinc/73/90/44/572739044.db2.gz RVIWQXQRPLKGSY-JQWIXIFHSA-N 0 0 198.306 2.354 10 0 AEAERN CC[C@@H]1CC[C@@]2(C[C@H](O)CCO2)C1 70767266 572739157 /nfs/dbraw/zinc/73/91/57/572739157.db2.gz RCMVFKQPIVOANU-MXWKQRLJSA-N 0 0 184.279 2.107 10 0 AEAERN Cc1cc(F)ccc1CC[C@@H](C)O 70770425 572739281 /nfs/dbraw/zinc/73/92/81/572739281.db2.gz MEXRGCNRLZFUDF-SECBINFHSA-N 0 0 182.238 2.448 10 0 AEAERN Cc1ccc([C@@]2(O)CC[C@@H](C)C2)cn1 70764409 572739304 /nfs/dbraw/zinc/73/93/04/572739304.db2.gz GAUQCAOWSJWISA-BXKDBHETSA-N 0 0 191.274 2.398 10 0 AEAERN CC(C)[C@@H](O)CNc1ccccc1 55032020 572739305 /nfs/dbraw/zinc/73/93/05/572739305.db2.gz JGRFDBSHACTYCC-NSHDSACASA-N 0 0 179.263 2.115 10 0 AEAERN C[C@H]([NH3+])CCC(C)(C)CCC(=O)[O-] 238479621 572739403 /nfs/dbraw/zinc/73/94/03/572739403.db2.gz JRKBVHZGTDVYOS-QMMMGPOBSA-N 0 0 187.283 2.005 10 0 AEAERN CO[C@@H]1CCCC[C@]1(O)C1CCC1 234811229 572739420 /nfs/dbraw/zinc/73/94/20/572739420.db2.gz UHAYRHYHXPDZQG-MNOVXSKESA-N 0 0 184.279 2.107 10 0 AEAERN COc1cc(C)ccc1[C@@H](O)C1CC1 234819960 572739629 /nfs/dbraw/zinc/73/96/29/572739629.db2.gz JKMXLEMIUJIELH-LBPRGKRZSA-N 0 0 192.258 2.447 10 0 AEAERN COCCc1ccc2c(c1)N[C@@H](C)C2 713742678 572739715 /nfs/dbraw/zinc/73/97/15/572739715.db2.gz CKHKJGSNHMECTJ-VIFPVBQESA-N 0 0 191.274 2.232 10 0 AEAERN O[C@H]1CC[C@@H](c2cccc(F)c2)C1 70772133 572739940 /nfs/dbraw/zinc/73/99/40/572739940.db2.gz XFKHYFSGAGZEOS-KOLCDFICSA-N 0 0 180.222 2.454 10 0 AEAERN CCCc1nc(N)cc(SCC)n1 87907904 572740093 /nfs/dbraw/zinc/74/00/93/572740093.db2.gz INQFOTBHYNLNNM-UHFFFAOYSA-N 0 0 197.307 2.123 10 0 AEAERN C[C@@H]1C=CCC(=O)CCC1 238483589 572740189 /nfs/dbraw/zinc/74/01/89/572740189.db2.gz ZQHNNKSKGCBEPM-MRVPVSSYSA-N 0 0 138.210 2.322 10 0 AEAERN C[C@H]1CCC=CCCC1=O 238482968 572740195 /nfs/dbraw/zinc/74/01/95/572740195.db2.gz XEWMANJZOMVVQA-QMMMGPOBSA-N 0 0 138.210 2.322 10 0 AEAERN CO[C@@H]1CCCC[C@]1(O)CC(C)C 234812023 572740220 /nfs/dbraw/zinc/74/02/20/572740220.db2.gz ZFXNVNNACCSTCF-MNOVXSKESA-N 0 0 186.295 2.353 10 0 AEAERN CC[C@@H]1CC[C@@](O)(C2CCOCC2)C1 70765516 572740290 /nfs/dbraw/zinc/74/02/90/572740290.db2.gz RVIWQXQRPLKGSY-PWSUYJOCSA-N 0 0 198.306 2.354 10 0 AEAERN C=C/C=C/CC/C=C(/C)CO 238479059 572740309 /nfs/dbraw/zinc/74/03/09/572740309.db2.gz BHGFCLRWNIJZRS-OOFLMXFCSA-N 0 0 152.237 2.447 10 0 AEAERN C[C@H]1CC[C@@H](CCCC(N)=O)C1 238482776 572740399 /nfs/dbraw/zinc/74/03/99/572740399.db2.gz FGNSISBYAZCNEX-DTWKUNHWSA-N 0 0 169.268 2.078 10 0 AEAERN CC(C)c1cccc2c1[C@H]([NH3+])CO2 713741884 572740587 /nfs/dbraw/zinc/74/05/87/572740587.db2.gz HHFWWDGCPVOYRB-SECBINFHSA-N 0 0 177.247 2.202 10 0 AEAERN CC(C)c1cccc2c1[C@@H]([NH3+])CO2 713741893 572740784 /nfs/dbraw/zinc/74/07/84/572740784.db2.gz HHFWWDGCPVOYRB-VIFPVBQESA-N 0 0 177.247 2.202 10 0 AEAERN CCCCC[C@@H]1C=C[C@H]1CO 221504516 572740790 /nfs/dbraw/zinc/74/07/90/572740790.db2.gz HOEQHCNZDKOVAE-ZJUUUORDSA-N 0 0 154.253 2.361 10 0 AEAERN CC[C@H]1CC[C@](O)(c2cccnc2)C1 70765834 572740799 /nfs/dbraw/zinc/74/07/99/572740799.db2.gz CLEMEXWILDWOAB-CMPLNLGQSA-N 0 0 191.274 2.479 10 0 AEAERN O=C1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@H](C3)[C@@H]12 166519635 572740873 /nfs/dbraw/zinc/74/08/73/572740873.db2.gz MZILIFNTKYMVPH-CRKKBNSPSA-N 0 0 184.666 2.229 10 0 AEAERN CON[C@H](C)CSC(C)(C)C 307895807 572741065 /nfs/dbraw/zinc/74/10/65/572741065.db2.gz IKWZITQJKPWMDF-SSDOTTSWSA-N 0 0 177.313 2.058 10 0 AEAERN CON[C@@H](C)CSC(C)(C)C 307895808 572741088 /nfs/dbraw/zinc/74/10/88/572741088.db2.gz IKWZITQJKPWMDF-ZETCQYMHSA-N 0 0 177.313 2.058 10 0 AEAERN Cc1ccc([C@@]2(O)CC[C@H](C)C2)cn1 70764407 572741092 /nfs/dbraw/zinc/74/10/92/572741092.db2.gz GAUQCAOWSJWISA-JOYOIKCWSA-N 0 0 191.274 2.398 10 0 AEAERN CCCSc1cc(N)nc(CC)n1 87906680 572741109 /nfs/dbraw/zinc/74/11/09/572741109.db2.gz KHCNMXPJGUEFJD-UHFFFAOYSA-N 0 0 197.307 2.123 10 0 AEAERN O[C@H]1CCC[C@H](CC2CCOCC2)C1 70773066 572741921 /nfs/dbraw/zinc/74/19/21/572741921.db2.gz XPTFOXFJSJXURF-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN CCc1nc(N)c(C)c(CC(C)C)n1 87917772 572741160 /nfs/dbraw/zinc/74/11/60/572741160.db2.gz OHHDMYZFBBAYKM-UHFFFAOYSA-N 0 0 193.294 2.128 10 0 AEAERN CC[C@@H](C)[C@H](O)CC(C)(C)OC 230984679 572741194 /nfs/dbraw/zinc/74/11/94/572741194.db2.gz PDAOYGKPCYIGOC-RKDXNWHRSA-N 0 0 174.284 2.209 10 0 AEAERN Cc1ccc([C@]2(O)CC[C@@H](C)C2)cn1 70764408 572741236 /nfs/dbraw/zinc/74/12/36/572741236.db2.gz GAUQCAOWSJWISA-SKDRFNHKSA-N 0 0 191.274 2.398 10 0 AEAERN CC[C@@H]1CC[C@](O)(C2CCOCC2)C1 70765511 572741299 /nfs/dbraw/zinc/74/12/99/572741299.db2.gz RVIWQXQRPLKGSY-ZYHUDNBSSA-N 0 0 198.306 2.354 10 0 AEAERN CC[C@H]1CC[C@@](O)(c2cccnc2)C1 70765840 572741520 /nfs/dbraw/zinc/74/15/20/572741520.db2.gz CLEMEXWILDWOAB-JQWIXIFHSA-N 0 0 191.274 2.479 10 0 AEAERN CC[C@@H]1CC[C@]2(C[C@H](O)CCO2)C1 70767261 572741585 /nfs/dbraw/zinc/74/15/85/572741585.db2.gz RCMVFKQPIVOANU-GMTAPVOTSA-N 0 0 184.279 2.107 10 0 AEAERN CC[C@H]1CC[C@](O)(C2CCOCC2)C1 70765513 572741589 /nfs/dbraw/zinc/74/15/89/572741589.db2.gz RVIWQXQRPLKGSY-CMPLNLGQSA-N 0 0 198.306 2.354 10 0 AEAERN Cc1cc(F)ccc1CC[C@H](C)O 70770430 572741600 /nfs/dbraw/zinc/74/16/00/572741600.db2.gz MEXRGCNRLZFUDF-VIFPVBQESA-N 0 0 182.238 2.448 10 0 AEAERN O[C@H]1CC[C@H](c2cccc(F)c2)C1 70772139 572741620 /nfs/dbraw/zinc/74/16/20/572741620.db2.gz XFKHYFSGAGZEOS-ONGXEEELSA-N 0 0 180.222 2.454 10 0 AEAERN CCC[C@@H](O)CCC1CC1 70774899 572742080 /nfs/dbraw/zinc/74/20/80/572742080.db2.gz WDECMEXHFWWEQG-SECBINFHSA-N 0 0 142.242 2.338 10 0 AEAERN CC(=O)C[C@H](C)O[C@@H](C)C(F)(F)F 85422196 572741773 /nfs/dbraw/zinc/74/17/73/572741773.db2.gz NXEMPLKQQXQRFS-BQBZGAKWSA-N 0 0 198.184 2.321 10 0 AEAERN O[C@H]1CCC[C@@H](c2cncc(F)c2)C1 70774342 572741953 /nfs/dbraw/zinc/74/19/53/572741953.db2.gz VKYDJGXBTXOMSU-KCJUWKMLSA-N 0 0 195.237 2.239 10 0 AEAERN O[C@H]1CCC[C@H](c2ccoc2)C1 70774268 572741865 /nfs/dbraw/zinc/74/18/65/572741865.db2.gz GMLGYUYTTJHDMU-WPRPVWTQSA-N 0 0 166.220 2.298 10 0 AEAERN O[C@@H]1CCC[C@@H](c2ccoc2)C1 70774271 572741871 /nfs/dbraw/zinc/74/18/71/572741871.db2.gz GMLGYUYTTJHDMU-PSASIEDQSA-N 0 0 166.220 2.298 10 0 AEAERN O[C@@H]1CC[C@H](Cc2ccsc2)C1 70772811 572741896 /nfs/dbraw/zinc/74/18/96/572741896.db2.gz RQQJOYCROHVEKJ-PSASIEDQSA-N 0 0 182.288 2.452 10 0 AEAERN O[C@H]1CC[C@H](Cc2cccs2)C1 70772792 572741908 /nfs/dbraw/zinc/74/19/08/572741908.db2.gz ROGIGOQLSKHHDK-IUCAKERBSA-N 0 0 182.288 2.452 10 0 AEAERN O[C@@H]1CCC[C@H](c2ccoc2)C1 70774275 572741930 /nfs/dbraw/zinc/74/19/30/572741930.db2.gz GMLGYUYTTJHDMU-WCBMZHEXSA-N 0 0 166.220 2.298 10 0 AEAERN O[C@@H]1CCC[C@@H](C[C@@H]2CCCO2)C1 70773462 572741941 /nfs/dbraw/zinc/74/19/41/572741941.db2.gz UPTXCDBFFCIWOI-MXWKQRLJSA-N 0 0 184.279 2.107 10 0 AEAERN CCC[C@H](O)CCC1CC1 70774896 572742019 /nfs/dbraw/zinc/74/20/19/572742019.db2.gz WDECMEXHFWWEQG-VIFPVBQESA-N 0 0 142.242 2.338 10 0 AEAERN C[C@@H]1CCC[C@@H]1Nc1ccc(N)nc1 70828250 572743999 /nfs/dbraw/zinc/74/39/99/572743999.db2.gz ASBHWPMPFIIYKF-SCZZXKLOSA-N 0 0 191.278 2.264 10 0 AEAERN O[C@@H]1CC[C@H](c2cccc(F)c2)C1 70772149 572742074 /nfs/dbraw/zinc/74/20/74/572742074.db2.gz XFKHYFSGAGZEOS-GXSJLCMTSA-N 0 0 180.222 2.454 10 0 AEAERN O[C@H]1CCC[C@@H](c2ccco2)C1 70773127 572742157 /nfs/dbraw/zinc/74/21/57/572742157.db2.gz HNAHIRAEHUKXTA-BDAKNGLRSA-N 0 0 166.220 2.298 10 0 AEAERN O[C@@H]1CCC[C@H](CC2CCOCC2)C1 70773058 572742168 /nfs/dbraw/zinc/74/21/68/572742168.db2.gz XPTFOXFJSJXURF-VXGBXAGGSA-N 0 0 198.306 2.354 10 0 AEAERN O[C@@H]1CC[C@@H](Cc2cccs2)C1 70772796 572742231 /nfs/dbraw/zinc/74/22/31/572742231.db2.gz ROGIGOQLSKHHDK-RKDXNWHRSA-N 0 0 182.288 2.452 10 0 AEAERN O[C@@H]1CCC[C@H](c2ccco2)C1 70773135 572742249 /nfs/dbraw/zinc/74/22/49/572742249.db2.gz HNAHIRAEHUKXTA-DTWKUNHWSA-N 0 0 166.220 2.298 10 0 AEAERN O[C@@H]1CCC[C@H](c2cncc(F)c2)C1 70774351 572742319 /nfs/dbraw/zinc/74/23/19/572742319.db2.gz VKYDJGXBTXOMSU-GZMMTYOYSA-N 0 0 195.237 2.239 10 0 AEAERN O[C@H]1CCC[C@@H](CC2CCOCC2)C1 70773069 572742323 /nfs/dbraw/zinc/74/23/23/572742323.db2.gz XPTFOXFJSJXURF-RYUDHWBXSA-N 0 0 198.306 2.354 10 0 AEAERN O[C@@H]1CC[C@H](Cc2cccs2)C1 70772800 572742338 /nfs/dbraw/zinc/74/23/38/572742338.db2.gz ROGIGOQLSKHHDK-DTWKUNHWSA-N 0 0 182.288 2.452 10 0 AEAERN O[C@@H]1CC[C@@H](Cc2ccsc2)C1 70772809 572742356 /nfs/dbraw/zinc/74/23/56/572742356.db2.gz RQQJOYCROHVEKJ-WCBMZHEXSA-N 0 0 182.288 2.452 10 0 AEAERN O[C@@H]1CCC[C@@H](c2ccco2)C1 70773133 572742365 /nfs/dbraw/zinc/74/23/65/572742365.db2.gz HNAHIRAEHUKXTA-RKDXNWHRSA-N 0 0 166.220 2.298 10 0 AEAERN Cc1ccc2c(c1C)-n1cccc1[C@@H]2O 238489661 572742376 /nfs/dbraw/zinc/74/23/76/572742376.db2.gz RIPGEKXSJPNSFM-CYBMUJFWSA-N 0 0 199.253 2.489 10 0 AEAERN O[C@H]1CC[C@@H](Cc2cccs2)C1 70772788 572742377 /nfs/dbraw/zinc/74/23/77/572742377.db2.gz ROGIGOQLSKHHDK-BDAKNGLRSA-N 0 0 182.288 2.452 10 0 AEAERN O[C@H]1CC[C@@H](Cc2ccsc2)C1 70772803 572742429 /nfs/dbraw/zinc/74/24/29/572742429.db2.gz RQQJOYCROHVEKJ-WPRPVWTQSA-N 0 0 182.288 2.452 10 0 AEAERN O[C@@H]1CCC[C@@H](CC2CCOCC2)C1 70773062 572742453 /nfs/dbraw/zinc/74/24/53/572742453.db2.gz XPTFOXFJSJXURF-NWDGAFQWSA-N 0 0 198.306 2.354 10 0 AEAERN O[C@@H]1CCC[C@H](C[C@@H]2CCCO2)C1 70773459 572742458 /nfs/dbraw/zinc/74/24/58/572742458.db2.gz UPTXCDBFFCIWOI-AXFHLTTASA-N 0 0 184.279 2.107 10 0 AEAERN O[C@@H]1CCC[C@@H](c2cncc(F)c2)C1 70774349 572742469 /nfs/dbraw/zinc/74/24/69/572742469.db2.gz VKYDJGXBTXOMSU-LDYMZIIASA-N 0 0 195.237 2.239 10 0 AEAERN O[C@@H]1CC[C@@H](c2cccc(F)c2)C1 70772144 572742477 /nfs/dbraw/zinc/74/24/77/572742477.db2.gz XFKHYFSGAGZEOS-MWLCHTKSSA-N 0 0 180.222 2.454 10 0 AEAERN O[C@H]1CCC[C@H](c2cncc(F)c2)C1 70774345 572742485 /nfs/dbraw/zinc/74/24/85/572742485.db2.gz VKYDJGXBTXOMSU-KWQFWETISA-N 0 0 195.237 2.239 10 0 AEAERN O[C@H]1CCC[C@H](c2ccco2)C1 70773130 572742527 /nfs/dbraw/zinc/74/25/27/572742527.db2.gz HNAHIRAEHUKXTA-IUCAKERBSA-N 0 0 166.220 2.298 10 0 AEAERN O[C@H]1CCC[C@@H](c2ccoc2)C1 70774265 572742572 /nfs/dbraw/zinc/74/25/72/572742572.db2.gz GMLGYUYTTJHDMU-SCZZXKLOSA-N 0 0 166.220 2.298 10 0 AEAERN O[C@H]1CC[C@H](Cc2ccsc2)C1 70772805 572742577 /nfs/dbraw/zinc/74/25/77/572742577.db2.gz RQQJOYCROHVEKJ-SCZZXKLOSA-N 0 0 182.288 2.452 10 0 AEAERN CC(=O)C[C@@H](C)O[C@H](C)C(F)(F)F 85422199 572742630 /nfs/dbraw/zinc/74/26/30/572742630.db2.gz NXEMPLKQQXQRFS-RNFRBKRXSA-N 0 0 198.184 2.321 10 0 AEAERN CCCC(=O)CO[C@@H](C)C(F)(F)F 85422218 572742855 /nfs/dbraw/zinc/74/28/55/572742855.db2.gz CIFMOZMHMYFGCZ-LURJTMIESA-N 0 0 198.184 2.323 10 0 AEAERN C=C/C(=C/C[Si](C)(C)C)CO 307900004 572742909 /nfs/dbraw/zinc/74/29/09/572742909.db2.gz RIPFUUUUZIHRDM-TWGQIWQCSA-N 0 0 170.328 2.429 10 0 AEAERN C[C@H]1CCC[C@H]1Nc1ccc(N)nc1 70828265 572742927 /nfs/dbraw/zinc/74/29/27/572742927.db2.gz ASBHWPMPFIIYKF-WCBMZHEXSA-N 0 0 191.278 2.264 10 0 AEAERN CSCC[C@@H](O)c1cnccc1C 85440390 572742975 /nfs/dbraw/zinc/74/29/75/572742975.db2.gz IZCJUDUASMEUDB-SNVBAGLBSA-N 0 0 197.303 2.177 10 0 AEAERN C[C@H]1CCC[C@H]1Nc1ncccc1N 70828136 572743090 /nfs/dbraw/zinc/74/30/90/572743090.db2.gz KEIGBSUZLQPRLH-WCBMZHEXSA-N 0 0 191.278 2.264 10 0 AEAERN CC(=O)C[C@@H](C)O[C@@H](C)C(F)(F)F 85422197 572743182 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/nfs/dbraw/zinc/79/31/70/572793170.db2.gz HBMQTTCEGFOMPU-UHFFFAOYSA-N 0 0 153.225 2.450 10 0 AEAERN Cc1ncsc1Cc1ccoc1N 257564267 572793267 /nfs/dbraw/zinc/79/32/67/572793267.db2.gz DTHZKKKZHAYVFN-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN CSC[C@H](C)C(=O)OC1CCC1 307933700 572793271 /nfs/dbraw/zinc/79/32/71/572793271.db2.gz KFWBQPRKXAVDFR-ZETCQYMHSA-N 0 0 188.292 2.081 10 0 AEAERN OCC/C=C/c1cccc(F)c1 141652644 572793332 /nfs/dbraw/zinc/79/33/32/572793332.db2.gz AERDUPQOHFIYFC-DAFODLJHSA-N 0 0 166.195 2.221 10 0 AEAERN Cc1ncsc1Cc1ccc(N)o1 257564610 572793364 /nfs/dbraw/zinc/79/33/64/572793364.db2.gz MHXJGAMJONFNLL-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN O=C(CC1CC1)[C@H](O)c1ccccc1 236508792 572793743 /nfs/dbraw/zinc/79/37/43/572793743.db2.gz ZVFLGPHFKOMZHY-GFCCVEGCSA-N 0 0 190.242 2.089 10 0 AEAERN Nc1cc(Cc2ccccn2)cs1 257564023 572793445 /nfs/dbraw/zinc/79/34/45/572793445.db2.gz UEKGRCILJCXMRF-UHFFFAOYSA-N 0 0 190.271 2.316 10 0 AEAERN Cc1cnc(Cc2ccc(N)s2)o1 257563424 572793452 /nfs/dbraw/zinc/79/34/52/572793452.db2.gz BAVMWKREIYSYLW-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN CC(=O)C1(C[C@@H]2CC[C@@H](C)O2)CC1 235342613 572793459 /nfs/dbraw/zinc/79/34/59/572793459.db2.gz OLPWJUCWAZMOKA-SCZZXKLOSA-N 0 0 182.263 2.313 10 0 AEAERN CCO[C@@H](OC)c1ccc(C=O)cc1 117880013 572793480 /nfs/dbraw/zinc/79/34/80/572793480.db2.gz RNOATHPESPWHBT-LLVKDONJSA-N 0 0 194.230 2.181 10 0 AEAERN Nc1ccc(Cc2ccccn2)s1 257563649 572793759 /nfs/dbraw/zinc/79/37/59/572793759.db2.gz JYWIVAWVYQDGIU-UHFFFAOYSA-N 0 0 190.271 2.316 10 0 AEAERN CC[C@H](C)C(=O)O[C@@]1(C)C[C@@H]1C 307940628 572793533 /nfs/dbraw/zinc/79/35/33/572793533.db2.gz BSTMSLUZISGNHU-NRPADANISA-N 0 0 170.252 2.374 10 0 AEAERN Cc1conc1Cc1csc(N)c1 257563479 572793596 /nfs/dbraw/zinc/79/35/96/572793596.db2.gz DTGCEBMDIFLIHD-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN Nc1ccc(Cc2cscn2)s1 257564193 572793651 /nfs/dbraw/zinc/79/36/51/572793651.db2.gz ZRNZULHQIWULGE-UHFFFAOYSA-N 0 0 196.300 2.378 10 0 AEAERN Cc1nc(C)c(Cc2coc(N)c2)o1 257564427 572793697 /nfs/dbraw/zinc/79/36/97/572793697.db2.gz JKVCPQKIQIHSRV-UHFFFAOYSA-N 0 0 192.218 2.057 10 0 AEAERN Nc1sccc1Cc1ccccn1 257563667 572793751 /nfs/dbraw/zinc/79/37/51/572793751.db2.gz KZWHPPZQGVSYBC-UHFFFAOYSA-N 0 0 190.271 2.316 10 0 AEAERN C[C@@H]1[C@@H]2CC[C@](C)([C@H]1O)C2(C)C 141652701 572794575 /nfs/dbraw/zinc/79/45/75/572794575.db2.gz BJVZMJCQOYUEMX-UYAYMFIHSA-N 0 0 168.280 2.440 10 0 AEAERN C[C@@H](CO)C/C=C\c1ccoc1 307933837 572794700 /nfs/dbraw/zinc/79/47/00/572794700.db2.gz FMJBZPBCWLXWBF-FIFYQCSRSA-N 0 0 166.220 2.311 10 0 AEAERN C[C@H]1[C@@H]2CC[C@](C)([C@H]1O)C2(C)C 141652534 572794790 /nfs/dbraw/zinc/79/47/90/572794790.db2.gz BJVZMJCQOYUEMX-FTYOSLGDSA-N 0 0 168.280 2.440 10 0 AEAERN Cn1ccc(Cc2ccsc2N)c1 257564198 572794107 /nfs/dbraw/zinc/79/41/07/572794107.db2.gz ZUYWIFRUZNBFFX-UHFFFAOYSA-N 0 0 192.287 2.260 10 0 AEAERN Nc1cc(Cc2cscn2)cs1 257564071 572795203 /nfs/dbraw/zinc/79/52/03/572795203.db2.gz WDWFQEWUBFKMHP-UHFFFAOYSA-N 0 0 196.300 2.378 10 0 AEAERN Nc1cc(Cc2cccnc2)cs1 257563687 572794193 /nfs/dbraw/zinc/79/41/93/572794193.db2.gz MBCBZYMODJTFFE-UHFFFAOYSA-N 0 0 190.271 2.316 10 0 AEAERN CSCCCONC1CCCC1 307933689 572794197 /nfs/dbraw/zinc/79/41/97/572794197.db2.gz KBRYWUQCVCKLQL-UHFFFAOYSA-N 0 0 189.324 2.203 10 0 AEAERN Nc1sccc1CC1CC1 257563466 572794225 /nfs/dbraw/zinc/79/42/25/572794225.db2.gz DCVAFHRBLNMZPF-UHFFFAOYSA-N 0 0 153.250 2.283 10 0 AEAERN Cc1nc(Cc2coc(N)c2)cs1 257563990 572794251 /nfs/dbraw/zinc/79/42/51/572794251.db2.gz DELZMTQNWOEFEW-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN Nc1ccc(Cc2cc[nH]c2)s1 257563642 572794275 /nfs/dbraw/zinc/79/42/75/572794275.db2.gz JUELLQARAAJMOS-UHFFFAOYSA-N 0 0 178.260 2.249 10 0 AEAERN Nc1cc(Cc2cc[nH]c2)cs1 257563650 572794305 /nfs/dbraw/zinc/79/43/05/572794305.db2.gz KBPKCEKRTVZTLV-UHFFFAOYSA-N 0 0 178.260 2.249 10 0 AEAERN C/C=C\C(=O)NC1(CC)CCC1 307935898 572794320 /nfs/dbraw/zinc/79/43/20/572794320.db2.gz STFYWXYBONFOBV-UTCJRWHESA-N 0 0 167.252 2.011 10 0 AEAERN Cn1c(Cl)ccc1-c1ccc(N)[nH]1 257564256 572794324 /nfs/dbraw/zinc/79/43/24/572794324.db2.gz DMUPXGACNCZOBD-UHFFFAOYSA-N 0 0 195.653 2.256 10 0 AEAERN C/C=C\C[C@@H](O)c1cccnc1 307933567 572794402 /nfs/dbraw/zinc/79/44/02/572794402.db2.gz HEFHPIXSJXXUIT-MXQLGCADSA-N 0 0 163.220 2.081 10 0 AEAERN Cc1nc(Cc2ccc(N)o2)cs1 257564426 572794409 /nfs/dbraw/zinc/79/44/09/572794409.db2.gz JKGZYZJEIBZJSQ-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN Nc1occc1CCc1cccnc1 257563907 572794415 /nfs/dbraw/zinc/79/44/15/572794415.db2.gz AOXMMURFVMTJSE-UHFFFAOYSA-N 0 0 188.230 2.042 10 0 AEAERN Cc1cnc(Cc2csc(N)c2)o1 257564186 572794436 /nfs/dbraw/zinc/79/44/36/572794436.db2.gz ZKCFKXDHDRTMSS-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN CC(C)CCc1ccc(N)o1 257564255 572794445 /nfs/dbraw/zinc/79/44/45/572794445.db2.gz DMQKKACZGZVRGT-UHFFFAOYSA-N 0 0 153.225 2.450 10 0 AEAERN Cc1nc(Cc2coc(N)c2)oc1C 257563912 572794450 /nfs/dbraw/zinc/79/44/50/572794450.db2.gz AQSOKZJCXSXELB-UHFFFAOYSA-N 0 0 192.218 2.057 10 0 AEAERN C=C/C=C/CC[C@H](NN)[C@H]1CC1(C)C 713754888 572794492 /nfs/dbraw/zinc/79/44/92/572794492.db2.gz XMEDSUJOKZIVJF-PVTPVBHGSA-N 0 0 194.322 2.387 10 0 AEAERN Cc1nc(Cc2ccc(N)o2)oc1C 257564356 572794531 /nfs/dbraw/zinc/79/45/31/572794531.db2.gz HTTLUNMHELXWMX-UHFFFAOYSA-N 0 0 192.218 2.057 10 0 AEAERN CCO[C@H](OC)c1ccc(C=O)cc1 117880016 572794541 /nfs/dbraw/zinc/79/45/41/572794541.db2.gz RNOATHPESPWHBT-NSHDSACASA-N 0 0 194.230 2.181 10 0 AEAERN Cc1noc(C)c1Cc1coc(N)c1 257564273 572794568 /nfs/dbraw/zinc/79/45/68/572794568.db2.gz FADKMVCZLCYREV-UHFFFAOYSA-N 0 0 192.218 2.057 10 0 AEAERN Nc1cc(Cc2cncs2)cs1 257564009 572794597 /nfs/dbraw/zinc/79/45/97/572794597.db2.gz SVCZHSOUSGYQRF-UHFFFAOYSA-N 0 0 196.300 2.378 10 0 AEAERN Cc1ncc(Cc2ccc(N)o2)s1 257564258 572794633 /nfs/dbraw/zinc/79/46/33/572794633.db2.gz DOYYVOGJENIMAZ-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN Cc1noc(C)c1Cc1ccc(N)o1 257563935 572794647 /nfs/dbraw/zinc/79/46/47/572794647.db2.gz BJACCZBUEGDLNP-UHFFFAOYSA-N 0 0 192.218 2.057 10 0 AEAERN Nc1ccc(-c2ccc(Cl)[nH]2)[nH]1 257564555 572794653 /nfs/dbraw/zinc/79/46/53/572794653.db2.gz KTBLAOMBUBQYPB-UHFFFAOYSA-N 0 0 181.626 2.245 10 0 AEAERN Nc1ccc(CCc2cccnc2)o1 257564559 572794660 /nfs/dbraw/zinc/79/46/60/572794660.db2.gz KTWWVNZHQOSYMT-UHFFFAOYSA-N 0 0 188.230 2.042 10 0 AEAERN Nc1sccc1Cc1ccncc1 257563684 572794665 /nfs/dbraw/zinc/79/46/65/572794665.db2.gz LZOHIGLLMPSJKD-UHFFFAOYSA-N 0 0 190.271 2.316 10 0 AEAERN CC[C@H](C)C(=O)O[C@]1(C)C[C@@H]1C 307940629 572794689 /nfs/dbraw/zinc/79/46/89/572794689.db2.gz BSTMSLUZISGNHU-OYNCUSHFSA-N 0 0 170.252 2.374 10 0 AEAERN Cc1noc(C)c1Cc1ccoc1N 257563987 572794715 /nfs/dbraw/zinc/79/47/15/572794715.db2.gz CXFQPUZWXUUNPC-UHFFFAOYSA-N 0 0 192.218 2.057 10 0 AEAERN C/C=C\COC(=O)CCSCC 307934207 572794778 /nfs/dbraw/zinc/79/47/78/572794778.db2.gz LIOVQWUDESOVKY-HYXAFXHYSA-N 0 0 188.292 2.249 10 0 AEAERN CC(C)CCc1coc(N)c1 257564315 572794887 /nfs/dbraw/zinc/79/48/87/572794887.db2.gz GJTXNNPGUMTBII-UHFFFAOYSA-N 0 0 153.225 2.450 10 0 AEAERN Cc1ncc(Cc2coc(N)c2)s1 257563900 572795207 /nfs/dbraw/zinc/79/52/07/572795207.db2.gz AFPCVXSFPHDKIQ-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN Nc1cc(Cc2ccncc2)cs1 257563841 572794949 /nfs/dbraw/zinc/79/49/49/572794949.db2.gz PGKHHHBUCMYPCU-UHFFFAOYSA-N 0 0 190.271 2.316 10 0 AEAERN Cc1nocc1Cc1ccsc1N 257563498 572795015 /nfs/dbraw/zinc/79/50/15/572795015.db2.gz FTUSYOJEDXLZFX-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN Nc1ccc(CC2CC2)s1 257563674 572795040 /nfs/dbraw/zinc/79/50/40/572795040.db2.gz LNFOGHYOIHWJEE-UHFFFAOYSA-N 0 0 153.250 2.283 10 0 AEAERN Nc1cc(Cc2ccccc2)co1 257564460 572795105 /nfs/dbraw/zinc/79/51/05/572795105.db2.gz KFCJBOLORMEQJP-UHFFFAOYSA-N 0 0 173.215 2.453 10 0 AEAERN Cc1cc(Cc2ccc(N)s2)no1 257564028 572795118 /nfs/dbraw/zinc/79/51/18/572795118.db2.gz UKFOFDOWKYYFEH-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN Nc1sccc1Cc1cccnc1 257563501 572795134 /nfs/dbraw/zinc/79/51/34/572795134.db2.gz FXPIXEKAWQLWIL-UHFFFAOYSA-N 0 0 190.271 2.316 10 0 AEAERN Cc1conc1Cc1ccsc1N 257563484 572795174 /nfs/dbraw/zinc/79/51/74/572795174.db2.gz DWJRRXRKPRUOPK-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN COC(=S)SCCOC(C)C 307936677 572795462 /nfs/dbraw/zinc/79/54/62/572795462.db2.gz YNWYNPHOHAZYQM-UHFFFAOYSA-N 0 0 194.321 2.076 10 0 AEAERN Nc1sccc1Cc1cscn1 257563887 572795490 /nfs/dbraw/zinc/79/54/90/572795490.db2.gz RILYNAJRYWIUDF-UHFFFAOYSA-N 0 0 196.300 2.378 10 0 AEAERN CSC[C@@H](C)OC(=O)CC1CC1 307936498 572795529 /nfs/dbraw/zinc/79/55/29/572795529.db2.gz PRLVJGLFKIJFIV-SSDOTTSWSA-N 0 0 188.292 2.081 10 0 AEAERN CC(C)(C)Cc1ccoc1N 257564435 572795565 /nfs/dbraw/zinc/79/55/65/572795565.db2.gz JQIKZFWGWGBRRF-UHFFFAOYSA-N 0 0 153.225 2.450 10 0 AEAERN Cc1ncoc1Cc1csc(N)c1 257563787 572795573 /nfs/dbraw/zinc/79/55/73/572795573.db2.gz MYCOHZAWZJIPCT-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN CCC1=C(C(F)F)C[C@@H](O)C1 141676215 572795612 /nfs/dbraw/zinc/79/56/12/572795612.db2.gz TXZKGTUUYKJGEY-LURJTMIESA-N 0 0 162.179 2.113 10 0 AEAERN Nc1sccc1Cc1cncs1 257563678 572795619 /nfs/dbraw/zinc/79/56/19/572795619.db2.gz LRXRDPBPDWGRMH-UHFFFAOYSA-N 0 0 196.300 2.378 10 0 AEAERN Nc1occc1CCc1ccncc1 257564337 572795638 /nfs/dbraw/zinc/79/56/38/572795638.db2.gz HEOODPGESYNHGQ-UHFFFAOYSA-N 0 0 188.230 2.042 10 0 AEAERN Cc1coc(-c2ccc(N)s2)n1 257566425 572795649 /nfs/dbraw/zinc/79/56/49/572795649.db2.gz AGIOFFSQBJDTMS-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN Cc1nc(-c2cccs2)n(C)c1N 257563938 572795675 /nfs/dbraw/zinc/79/56/75/572795675.db2.gz BJWCGUFPLBBYID-UHFFFAOYSA-N 0 0 193.275 2.039 10 0 AEAERN OCC(F)(F)CCc1ccccc1 117769642 572795782 /nfs/dbraw/zinc/79/57/82/572795782.db2.gz RJNRZCJIBWJIAS-UHFFFAOYSA-N 0 0 186.201 2.247 10 0 AEAERN Nc1occc1CCc1ccco1 257564566 572795834 /nfs/dbraw/zinc/79/58/34/572795834.db2.gz LELCZPCDARIJBB-UHFFFAOYSA-N 0 0 177.203 2.240 10 0 AEAERN Nc1occc1Cc1ccco1 257563898 572795901 /nfs/dbraw/zinc/79/59/01/572795901.db2.gz AEYKGSFSPIYNKK-UHFFFAOYSA-N 0 0 163.176 2.046 10 0 AEAERN OC[C@H](COCC1CC1)C1CCCC1 236506025 572795908 /nfs/dbraw/zinc/79/59/08/572795908.db2.gz XREZDCWNYFOHDC-GFCCVEGCSA-N 0 0 198.306 2.212 10 0 AEAERN Cc1scnc1Cc1ccoc1N 257564323 572795930 /nfs/dbraw/zinc/79/59/30/572795930.db2.gz GTPIDDPXVOYJDE-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN N#CN[C@@H](c1ccccc1)c1ccco1 238554534 572795969 /nfs/dbraw/zinc/79/59/69/572795969.db2.gz KRDGKVWHDVEZLM-LBPRGKRZSA-N 0 0 198.225 2.440 10 0 AEAERN CC[C@H](C)[C@@H](O)[C@@H](C)/C=C\OC 307936216 572796044 /nfs/dbraw/zinc/79/60/44/572796044.db2.gz IHORBLKUTJKXGF-QYASXOKYSA-N 0 0 172.268 2.190 10 0 AEAERN Cc1coc(Cc2csc(N)c2)n1 257563430 572796050 /nfs/dbraw/zinc/79/60/50/572796050.db2.gz BJSLPWJCRVIBEQ-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN Cc1cc(Cc2ccsc2N)no1 257564066 572796074 /nfs/dbraw/zinc/79/60/74/572796074.db2.gz VVPTVDLLEOLKRR-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN Nc1cc(CC2CC2)cs1 257563444 572796089 /nfs/dbraw/zinc/79/60/89/572796089.db2.gz CDSBDGVSRKKSDE-UHFFFAOYSA-N 0 0 153.250 2.283 10 0 AEAERN Cn1ccc(Cc2csc(N)c2)c1 257563836 572796186 /nfs/dbraw/zinc/79/61/86/572796186.db2.gz PFEZLNLYPOEDLC-UHFFFAOYSA-N 0 0 192.287 2.260 10 0 AEAERN Cc1csc(-c2ccc(N)o2)n1 257563947 572796126 /nfs/dbraw/zinc/79/61/26/572796126.db2.gz BSVROXLCAPKHMN-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN Nc1ccc(CC(F)(F)F)s1 257564002 572796148 /nfs/dbraw/zinc/79/61/48/572796148.db2.gz SICOCDHDHVUFDX-UHFFFAOYSA-N 0 0 181.182 2.435 10 0 AEAERN Cc1cc(Cc2csc(N)c2)no1 257563992 572796170 /nfs/dbraw/zinc/79/61/70/572796170.db2.gz RSJZNOMHHLPVAP-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN CSC[C@@H](O)[C@H](C)CC(C)C 307936868 572796200 /nfs/dbraw/zinc/79/62/00/572796200.db2.gz YTAYCXJYBXFOGG-RKDXNWHRSA-N 0 0 176.325 2.393 10 0 AEAERN Nc1ccc(Cc2ccncc2)s1 257564012 572796226 /nfs/dbraw/zinc/79/62/26/572796226.db2.gz TVBWTPHFYJPXIM-UHFFFAOYSA-N 0 0 190.271 2.316 10 0 AEAERN CC[C@H](C)[C@H](O)[C@H](C)/C=C\OC 307936210 572796264 /nfs/dbraw/zinc/79/62/64/572796264.db2.gz IHORBLKUTJKXGF-AHQNLCJZSA-N 0 0 172.268 2.190 10 0 AEAERN CSC[C@H](C)OC(=O)CC1CC1 307936499 572796354 /nfs/dbraw/zinc/79/63/54/572796354.db2.gz PRLVJGLFKIJFIV-ZETCQYMHSA-N 0 0 188.292 2.081 10 0 AEAERN CC(C)CC(N)=CC(=O)OC(C)(C)C 198639526 572796404 /nfs/dbraw/zinc/79/64/04/572796404.db2.gz QKBYEODYJSKOCV-VQHVLOKHSA-N 0 0 199.294 2.217 10 0 AEAERN CSC[C@H](O)[C@@H](C)CC(C)C 307936862 572796580 /nfs/dbraw/zinc/79/65/80/572796580.db2.gz YTAYCXJYBXFOGG-IUCAKERBSA-N 0 0 176.325 2.393 10 0 AEAERN CCCC(=O)OC[C@@H](C)C1CC1 307937127 572796605 /nfs/dbraw/zinc/79/66/05/572796605.db2.gz AEQKAVBOGVRHBL-MRVPVSSYSA-N 0 0 170.252 2.376 10 0 AEAERN CSC[C@@H](O)[C@@H](C)CC(C)C 307936859 572796640 /nfs/dbraw/zinc/79/66/40/572796640.db2.gz YTAYCXJYBXFOGG-DTWKUNHWSA-N 0 0 176.325 2.393 10 0 AEAERN CCC[C@H]1NC(=O)C1(CC)CC 307937392 572796677 /nfs/dbraw/zinc/79/66/77/572796677.db2.gz AHXIUYRBRSHUGJ-MRVPVSSYSA-N 0 0 169.268 2.091 10 0 AEAERN CCCCC(=O)Nc1ccco1 141678426 572796680 /nfs/dbraw/zinc/79/66/80/572796680.db2.gz GAMXEBLKTDQQDI-UHFFFAOYSA-N 0 0 167.208 2.408 10 0 AEAERN CSC[C@H](O)[C@H](C)CC(C)C 307936855 572797937 /nfs/dbraw/zinc/79/79/37/572797937.db2.gz YTAYCXJYBXFOGG-BDAKNGLRSA-N 0 0 176.325 2.393 10 0 AEAERN CN(C)c1sc(N)cc1CC1CC1 257569097 572796794 /nfs/dbraw/zinc/79/67/94/572796794.db2.gz LGSVGZVRVGSZRD-UHFFFAOYSA-N 0 0 196.319 2.349 10 0 AEAERN N#CN[C@H](c1ccccc1)c1ccco1 238554602 572796901 /nfs/dbraw/zinc/79/69/01/572796901.db2.gz KRDGKVWHDVEZLM-GFCCVEGCSA-N 0 0 198.225 2.440 10 0 AEAERN Cc1scnc1Cc1coc(N)c1 257564967 572796922 /nfs/dbraw/zinc/79/69/22/572796922.db2.gz UXWNUDAAPDTIGU-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN OC[C@@H](F)/C=C/c1ccccc1 141675073 572796985 /nfs/dbraw/zinc/79/69/85/572796985.db2.gz RCXJPHMAOXWVOY-FGEFZZPRSA-N 0 0 166.195 2.030 10 0 AEAERN COC(=O)c1ccc(C)c2cc[nH]c12 141695526 572797027 /nfs/dbraw/zinc/79/70/27/572797027.db2.gz FHAZOJMHFKPADF-UHFFFAOYSA-N 0 0 189.214 2.263 10 0 AEAERN Nc1cccc(Cc2ccc[nH]2)c1 141660426 572797035 /nfs/dbraw/zinc/79/70/35/572797035.db2.gz PNNYAZGEIIWJBE-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/80/25/76/572802576.db2.gz TVWWYQNPCWYAGW-UHFFFAOYSA-N 0 0 192.218 2.057 10 0 AEAERN CC(C)(C)Cc1ccc(N)[nH]1 257567050 572802581 /nfs/dbraw/zinc/80/25/81/572802581.db2.gz OTZDTFYYCHRAKU-UHFFFAOYSA-N 0 0 152.241 2.186 10 0 AEAERN C[C@H](CC1CC1)N(C)CC(F)F 307947488 572802583 /nfs/dbraw/zinc/80/25/83/572802583.db2.gz KZHUCXVYBBDTDS-SSDOTTSWSA-N 0 0 177.238 2.372 10 0 AEAERN Nc1ccc(CCc2cccs2)[nH]1 257567153 572802621 /nfs/dbraw/zinc/80/26/21/572802621.db2.gz QIWANJZHRSPDKT-UHFFFAOYSA-N 0 0 192.287 2.444 10 0 AEAERN Cc1nnc(SCC[C@@H](C)F)o1 307939586 572802623 /nfs/dbraw/zinc/80/26/23/572802623.db2.gz AZSZIPCMQACIIY-RXMQYKEDSA-N 0 0 190.243 2.218 10 0 AEAERN Cc1ccccc1Cc1ccc(N)[nH]1 257566640 572802647 /nfs/dbraw/zinc/80/26/47/572802647.db2.gz GGYJHBFMZVIXLH-UHFFFAOYSA-N 0 0 186.258 2.496 10 0 AEAERN CCc1cc(N)[nH]c1[NH+]1CCCCC1 257568355 572802658 /nfs/dbraw/zinc/80/26/58/572802658.db2.gz GFBHJQMSYJCTON-UHFFFAOYSA-N 0 0 193.294 2.150 10 0 AEAERN CC(C)(C)COC(=O)c1ccoc1 308132390 572802686 /nfs/dbraw/zinc/80/26/86/572802686.db2.gz BUDQAFIORMKKQI-UHFFFAOYSA-N 0 0 182.219 2.483 10 0 AEAERN Nc1ccc(Cl)c(-c2cc[nH]n2)c1 75068103 572802754 /nfs/dbraw/zinc/80/27/54/572802754.db2.gz DCDRMNAZRYZKKS-UHFFFAOYSA-N 0 0 193.637 2.312 10 0 AEAERN COc1ccc(C(C)=O)c2cc[nH]c12 75067944 572802785 /nfs/dbraw/zinc/80/27/85/572802785.db2.gz LQRJOLRHQTUOSI-UHFFFAOYSA-N 0 0 189.214 2.379 10 0 AEAERN Nc1coc(CCc2ccncc2)c1 257567244 572803679 /nfs/dbraw/zinc/80/36/79/572803679.db2.gz USCNUGYYNRWEFS-UHFFFAOYSA-N 0 0 188.230 2.042 10 0 AEAERN CC/C=C/COC(=O)C=C(C)C 307939900 572802807 /nfs/dbraw/zinc/80/28/07/572802807.db2.gz BGENPWDDNPMXCZ-AATRIKPKSA-N 0 0 168.236 2.462 10 0 AEAERN Nc1coc(CCc2ccco2)c1 257566813 572802825 /nfs/dbraw/zinc/80/28/25/572802825.db2.gz MBEQOQKPYOHHCQ-UHFFFAOYSA-N 0 0 177.203 2.240 10 0 AEAERN C[C@H](O)C1(C[C@@H]2CC[C@@H](C)O2)CC1 235343016 572802829 /nfs/dbraw/zinc/80/28/29/572802829.db2.gz ZNJYPLMARVQNFO-UTLUCORTSA-N 0 0 184.279 2.105 10 0 AEAERN CN1CC2(CCCC2)Nc2c[nH]cc21 257570622 572802841 /nfs/dbraw/zinc/80/28/41/572802841.db2.gz DBVBDSPEKVRJSC-UHFFFAOYSA-N 0 0 191.278 2.189 10 0 AEAERN Cn1ccc(Cc2ccccc2)c1N 257570247 572802895 /nfs/dbraw/zinc/80/28/95/572802895.db2.gz CUZFHZFBKXUJQD-UHFFFAOYSA-N 0 0 186.258 2.198 10 0 AEAERN Nc1coc(Cc2ccccc2)c1 257567457 572802939 /nfs/dbraw/zinc/80/29/39/572802939.db2.gz ZFFMLJVBYOMSTC-UHFFFAOYSA-N 0 0 173.215 2.453 10 0 AEAERN Nc1ccc(Cc2cccc(F)c2)[nH]1 257566700 572803682 /nfs/dbraw/zinc/80/36/82/572803682.db2.gz HPSGRTIRZNERCK-UHFFFAOYSA-N 0 0 190.221 2.327 10 0 AEAERN CCCc1cc(N)[nH]c1[NH+]1CCCC1 257568288 572802954 /nfs/dbraw/zinc/80/29/54/572802954.db2.gz FOYKJKFQIZOJJQ-UHFFFAOYSA-N 0 0 193.294 2.150 10 0 AEAERN CCC(=O)OC[C@@H](C)C(F)(F)F 307940238 572802959 /nfs/dbraw/zinc/80/29/59/572802959.db2.gz BKFBETXZHYYKPF-RXMQYKEDSA-N 0 0 184.157 2.138 10 0 AEAERN CC[C@@H](C)C(=O)O[C@H]1C=CCC1 307947326 572802973 /nfs/dbraw/zinc/80/29/73/572802973.db2.gz KUHKIROTGCXWRD-BDAKNGLRSA-N 0 0 168.236 2.294 10 0 AEAERN COc1ccc2c(c1)[C@@H](N(C)O)CC2 75068081 572802995 /nfs/dbraw/zinc/80/29/95/572802995.db2.gz PCWVNGBERWWEEP-NSHDSACASA-N 0 0 193.246 2.004 10 0 AEAERN CCSCCC(=O)OCCCF 307939790 572803009 /nfs/dbraw/zinc/80/30/09/572803009.db2.gz VNNJQYWUQUUTCE-UHFFFAOYSA-N 0 0 194.271 2.032 10 0 AEAERN Cc1ccc(Cc2ccc(N)[nH]2)cc1 257567213 572803135 /nfs/dbraw/zinc/80/31/35/572803135.db2.gz SMJQUCAYNAMLEV-UHFFFAOYSA-N 0 0 186.258 2.496 10 0 AEAERN C1=N[C@H](c2ccc[nH]2)c2ccccc2N1 238553760 572803161 /nfs/dbraw/zinc/80/31/61/572803161.db2.gz AWWSIMZMRDEABK-LBPRGKRZSA-N 0 0 197.241 2.367 10 0 AEAERN COc1c(F)cccc1[C@H](C)N(C)O 75068336 572803252 /nfs/dbraw/zinc/80/32/52/572803252.db2.gz HSTVCQDXDIDBIS-ZETCQYMHSA-N 0 0 199.225 2.216 10 0 AEAERN C[NH+](C)c1[nH]c(N)cc1CC(C)(C)C 257568485 572803259 /nfs/dbraw/zinc/80/32/59/572803259.db2.gz GWTXGIUHZSQPAF-UHFFFAOYSA-N 0 0 195.310 2.252 10 0 AEAERN C[C@H](CC[NH3+])c1cccc(Cl)c1O 75068376 572803262 /nfs/dbraw/zinc/80/32/62/572803262.db2.gz XZIJWQQCPVVRIT-SSDOTTSWSA-N 0 0 199.681 2.498 10 0 AEAERN C[C@H](F)CCSc1cnccn1 307939643 572803268 /nfs/dbraw/zinc/80/32/68/572803268.db2.gz BCOKEDKAFOZIQN-ZETCQYMHSA-N 0 0 186.255 2.317 10 0 AEAERN CONCc1cccc2c(C)coc12 75067987 572803275 /nfs/dbraw/zinc/80/32/75/572803275.db2.gz VNYTWCPAQSYFAY-UHFFFAOYSA-N 0 0 191.230 2.392 10 0 AEAERN C[C@@H]1C[NH2+]C[C@]2(CC(C)(C)C[C@H]2C)O1 235345293 572803277 /nfs/dbraw/zinc/80/32/77/572803277.db2.gz GRQWDHWRAKAABC-FOGDFJRCSA-N 0 0 197.322 2.190 10 0 AEAERN CCOC(=O)CCCCSCC 307940481 572803281 /nfs/dbraw/zinc/80/32/81/572803281.db2.gz WHNKVFYKBMAEMM-UHFFFAOYSA-N 0 0 190.308 2.473 10 0 AEAERN C/C=C/C(=O)OCC=C1CCC1 307939926 572803338 /nfs/dbraw/zinc/80/33/38/572803338.db2.gz BGXWKOZYHDGKAD-DUXPYHPUSA-N 0 0 166.220 2.216 10 0 AEAERN O[C@@H](CC1CC1)[C@H](O)C1CCCCC1 236513234 572803358 /nfs/dbraw/zinc/80/33/58/572803358.db2.gz RYIBHEIMICMDHZ-NWDGAFQWSA-N 0 0 198.306 2.089 10 0 AEAERN C[C@H](CNn1cccc1)CC(F)F 688711783 572803389 /nfs/dbraw/zinc/80/33/89/572803389.db2.gz HUFUAXYJPRYZOE-QMMMGPOBSA-N 0 0 188.221 2.323 10 0 AEAERN Cc1ccc(C)c(OC/C=C\CO)c1 714554005 572803409 /nfs/dbraw/zinc/80/34/09/572803409.db2.gz WBDXPKDFIBXIRJ-ARJAWSKDSA-N 0 0 192.258 2.231 10 0 AEAERN Nc1ccc(-c2ccco2)o1 257566957 572803413 /nfs/dbraw/zinc/80/34/13/572803413.db2.gz MNHCEGVYNMCWEE-UHFFFAOYSA-N 0 0 149.149 2.122 10 0 AEAERN C/C=C/[C@H](CCCC)[C@@H](O)[C@@H](C)O 221515177 572803415 /nfs/dbraw/zinc/80/34/15/572803415.db2.gz XFCPEZQSIWXAMV-MVFWRPMOSA-N 0 0 186.295 2.111 10 0 AEAERN Cc1ccc(CC(N)=S)cc1C 49668720 572803435 /nfs/dbraw/zinc/80/34/35/572803435.db2.gz ICSMOGSZMJOPRR-UHFFFAOYSA-N 0 0 179.288 2.132 10 0 AEAERN CCCc1cc(N)sc1N(C)C 257568860 572803455 /nfs/dbraw/zinc/80/34/55/572803455.db2.gz JPPKYQPWMRCXGZ-UHFFFAOYSA-N 0 0 184.308 2.349 10 0 AEAERN C[C@@H]1CCc2sc(N)cc2C1 257567357 572803459 /nfs/dbraw/zinc/80/34/59/572803459.db2.gz VBDKLEHPZFKGSM-ZCFIWIBFSA-N 0 0 167.277 2.455 10 0 AEAERN CCc1cc(N)oc1N1CCCC1 257570531 572803469 /nfs/dbraw/zinc/80/34/69/572803469.db2.gz UMRNMESMUGUDPQ-UHFFFAOYSA-N 0 0 180.251 2.024 10 0 AEAERN Cc1cccc(Cc2ccc(N)[nH]2)c1 257567165 572803517 /nfs/dbraw/zinc/80/35/17/572803517.db2.gz QUBLEKQHJNJCMM-UHFFFAOYSA-N 0 0 186.258 2.496 10 0 AEAERN CCc1cc(N)c(N2CCCCC2)o1 257568911 572803522 /nfs/dbraw/zinc/80/35/22/572803522.db2.gz KDLISBXMTVHBRJ-UHFFFAOYSA-N 0 0 194.278 2.415 10 0 AEAERN CONCc1coc2c(F)cccc12 75068145 572803591 /nfs/dbraw/zinc/80/35/91/572803591.db2.gz MIFWOAFPMLLJPP-UHFFFAOYSA-N 0 0 195.193 2.223 10 0 AEAERN COCC(C)(C)[C@H](O)CC(C)C 307939746 572803598 /nfs/dbraw/zinc/80/35/98/572803598.db2.gz VGRYLOOZSGESSY-SECBINFHSA-N 0 0 174.284 2.066 10 0 AEAERN COc1ccc(C(C)(C)N(C)O)cc1 75068171 572803614 /nfs/dbraw/zinc/80/36/14/572803614.db2.gz HHQFNLIQBZJISM-UHFFFAOYSA-N 0 0 195.262 2.251 10 0 AEAERN C[C@@H]1CC(C)(C)C[C@]12C[C@@H](O)CCO2 235352308 572803617 /nfs/dbraw/zinc/80/36/17/572803617.db2.gz ARVFLGOBAFUUTF-JFGNBEQYSA-N 0 0 198.306 2.353 10 0 AEAERN COc1cc(C)c(CN(C)O)c(C)c1 75068184 572803632 /nfs/dbraw/zinc/80/36/32/572803632.db2.gz UPGYGOIITLULCQ-UHFFFAOYSA-N 0 0 195.262 2.133 10 0 AEAERN Cc1cc(N)[nH]c1[NH+]1CCCCCC1 257568106 572803647 /nfs/dbraw/zinc/80/36/47/572803647.db2.gz DRHRKBVQUUJPTN-UHFFFAOYSA-N 0 0 193.294 2.286 10 0 AEAERN C[C@@H]1SCC[C@@]1(O)CCC1CC1 235348038 572803692 /nfs/dbraw/zinc/80/36/92/572803692.db2.gz JRGUCOUYFBPCFS-WPRPVWTQSA-N 0 0 186.320 2.433 10 0 AEAERN CCc1cc(N)c(N2CCCC2)o1 257567607 572803747 /nfs/dbraw/zinc/80/37/47/572803747.db2.gz AKHXNTUOUJXROB-UHFFFAOYSA-N 0 0 180.251 2.024 10 0 AEAERN C[C@H]1CCc2sc(N)cc2C1 257567356 572803755 /nfs/dbraw/zinc/80/37/55/572803755.db2.gz VBDKLEHPZFKGSM-LURJTMIESA-N 0 0 167.277 2.455 10 0 AEAERN Nc1ccc(-c2nccs2)s1 257567162 572803760 /nfs/dbraw/zinc/80/37/60/572803760.db2.gz QQZBESGVVJXLCF-UHFFFAOYSA-N 0 0 182.273 2.454 10 0 AEAERN CC[C@H](C)SCC(=O)NC(C)C 307947368 572803780 /nfs/dbraw/zinc/80/37/80/572803780.db2.gz KVWDMDWOAMEKIH-QMMMGPOBSA-N 0 0 189.324 2.043 10 0 AEAERN O=C1CCOc2cccc(Cl)c2C1 75068218 572803789 /nfs/dbraw/zinc/80/37/89/572803789.db2.gz HCBAWOFEOVTOHJ-UHFFFAOYSA-N 0 0 196.633 2.234 10 0 AEAERN CCc1cc(N)oc1N1CCCCC1 257568797 572803810 /nfs/dbraw/zinc/80/38/10/572803810.db2.gz IYOPWWQERQVMCT-UHFFFAOYSA-N 0 0 194.278 2.415 10 0 AEAERN CONCc1coc2c(C)cccc12 75067985 572803886 /nfs/dbraw/zinc/80/38/86/572803886.db2.gz MKECTYLCLCSLRL-UHFFFAOYSA-N 0 0 191.230 2.392 10 0 AEAERN Cc1ccc(Cc2cc[nH]c2N)cc1 257570764 572804249 /nfs/dbraw/zinc/80/42/49/572804249.db2.gz GCVJXLMUWXEVND-UHFFFAOYSA-N 0 0 186.258 2.496 10 0 AEAERN ONCc1cc2c(Cl)cccc2[nH]1 75068221 572803940 /nfs/dbraw/zinc/80/39/40/572803940.db2.gz JGXRGSUTWQGPPP-UHFFFAOYSA-N 0 0 196.637 2.300 10 0 AEAERN CCCCCCn1occc1=O 307940256 572804260 /nfs/dbraw/zinc/80/42/60/572804260.db2.gz BKTWPSIDIULGBB-UHFFFAOYSA-N 0 0 169.224 2.022 10 0 AEAERN COc1cc(C)ccc1[C@H](C)N(C)O 75068173 572804065 /nfs/dbraw/zinc/80/40/65/572804065.db2.gz UXPSCIATTMEHRH-VIFPVBQESA-N 0 0 195.262 2.386 10 0 AEAERN C/C=C\CCNC(=O)[C@H](C)CC 307940372 572804086 /nfs/dbraw/zinc/80/40/86/572804086.db2.gz ZZUPONAMWJERAW-XTULLQBASA-N 0 0 169.268 2.115 10 0 AEAERN Cc1c(O)ccc2c1C[C@H](C)N2 713758270 572804268 /nfs/dbraw/zinc/80/42/68/572804268.db2.gz DORLVWAYKWWDSN-LURJTMIESA-N 0 0 163.220 2.057 10 0 AEAERN Cn1ccc(Cc2cccs2)c1N 257570754 572804269 /nfs/dbraw/zinc/80/42/69/572804269.db2.gz FYDDPUIIAJGOSU-UHFFFAOYSA-N 0 0 192.287 2.260 10 0 AEAERN C/C=C\CCNC(=O)[C@@H](C)CC 307940371 572804130 /nfs/dbraw/zinc/80/41/30/572804130.db2.gz ZZUPONAMWJERAW-RNEXMXFGSA-N 0 0 169.268 2.115 10 0 AEAERN COc1c(C[NH3+])cc(C)c(C)c1Cl 75068368 572804131 /nfs/dbraw/zinc/80/41/31/572804131.db2.gz NAZDTXCKLRFNHP-UHFFFAOYSA-N 0 0 199.681 2.424 10 0 AEAERN CN(C)c1cc(N)[nH]c1CC(C)(C)C 257570813 572804273 /nfs/dbraw/zinc/80/42/73/572804273.db2.gz VLCDAQZDHMPXHN-UHFFFAOYSA-N 0 0 195.310 2.252 10 0 AEAERN COc1c(F)cccc1[C@@H](C)N(C)O 75068337 572804161 /nfs/dbraw/zinc/80/41/61/572804161.db2.gz HSTVCQDXDIDBIS-SSDOTTSWSA-N 0 0 199.225 2.216 10 0 AEAERN CONCc1coc2cc(F)ccc12 75068144 572804195 /nfs/dbraw/zinc/80/41/95/572804195.db2.gz NZLIUWWCMFBJCC-UHFFFAOYSA-N 0 0 195.193 2.223 10 0 AEAERN Nc1ccc2oc(CC3CC3)nc2c1 49730631 572804214 /nfs/dbraw/zinc/80/42/14/572804214.db2.gz BAEJOYUJWNAACC-UHFFFAOYSA-N 0 0 188.230 2.363 10 0 AEAERN CCC(=O)OC[C@H](C)C(F)(F)F 307940239 572804226 /nfs/dbraw/zinc/80/42/26/572804226.db2.gz BKFBETXZHYYKPF-YFKPBYRVSA-N 0 0 184.157 2.138 10 0 AEAERN CC[C@@H](C)C(=O)O[C@@H]1C=CCC1 307947329 572804239 /nfs/dbraw/zinc/80/42/39/572804239.db2.gz KUHKIROTGCXWRD-RKDXNWHRSA-N 0 0 168.236 2.294 10 0 AEAERN CCc1oc(N)cc1N1CCCCC1 257570860 572804240 /nfs/dbraw/zinc/80/42/40/572804240.db2.gz VUSHVGUZIWFVIG-UHFFFAOYSA-N 0 0 194.278 2.415 10 0 AEAERN CSc1cc(CC2CC2)c(N)n1C 257570707 572804292 /nfs/dbraw/zinc/80/42/92/572804292.db2.gz DZYPHZQZLIVQHY-UHFFFAOYSA-N 0 0 196.319 2.282 10 0 AEAERN COc1c(C)cc(CN(C)O)cc1C 75068181 572804298 /nfs/dbraw/zinc/80/42/98/572804298.db2.gz DQEDERNYCFCRHA-UHFFFAOYSA-N 0 0 195.262 2.133 10 0 AEAERN CC(=O)OCCc1sccc1C 117996309 572804344 /nfs/dbraw/zinc/80/43/44/572804344.db2.gz UFYYKLMLKQWLIJ-UHFFFAOYSA-N 0 0 184.260 2.162 10 0 AEAERN COCc1ccc(F)c(C)c1 118012417 572804356 /nfs/dbraw/zinc/80/43/56/572804356.db2.gz VFVALHPFOPEZRI-UHFFFAOYSA-N 0 0 154.184 2.281 10 0 AEAERN CC(C)([NH3+])Cc1cccc(Cl)c1O 75068377 572804410 /nfs/dbraw/zinc/80/44/10/572804410.db2.gz BKJYDKFJMZKRNH-UHFFFAOYSA-N 0 0 199.681 2.325 10 0 AEAERN CONCc1ccc2oc(C)cc2c1 75067990 572804451 /nfs/dbraw/zinc/80/44/51/572804451.db2.gz BDIJLPSBMLFVOQ-UHFFFAOYSA-N 0 0 191.230 2.392 10 0 AEAERN ONCc1cc2[nH]ccc2cc1Cl 75068227 572804464 /nfs/dbraw/zinc/80/44/64/572804464.db2.gz UTNJEEITCYJUOF-UHFFFAOYSA-N 0 0 196.637 2.300 10 0 AEAERN CONCc1cccc2cc(C)oc12 75067988 572804489 /nfs/dbraw/zinc/80/44/89/572804489.db2.gz IPLXOUIEWVTXRD-UHFFFAOYSA-N 0 0 191.230 2.392 10 0 AEAERN CC[C@H](C)OCC/C(C)=C\CO 307940484 572804505 /nfs/dbraw/zinc/80/45/05/572804505.db2.gz WHUARXYJSHFTQT-BSKOKIOFSA-N 0 0 172.268 2.130 10 0 AEAERN Nc1ccc2nc(CC3CC3)oc2c1 49730633 572804511 /nfs/dbraw/zinc/80/45/11/572804511.db2.gz HGWQNTMFTGFHPT-UHFFFAOYSA-N 0 0 188.230 2.363 10 0 AEAERN C[NH+](C)Cc1cc2cc(N)ccc2o1 118036912 572804543 /nfs/dbraw/zinc/80/45/43/572804543.db2.gz VMATWTQOJRGARC-UHFFFAOYSA-N 0 0 190.246 2.077 10 0 AEAERN COc1cc(C)c(CC(C)=O)c(C)c1 75068041 572804648 /nfs/dbraw/zinc/80/46/48/572804648.db2.gz KXWBXUIZVPTFEL-UHFFFAOYSA-N 0 0 192.258 2.444 10 0 AEAERN ONCc1c[nH]c2c(Cl)cccc12 75068224 572804656 /nfs/dbraw/zinc/80/46/56/572804656.db2.gz BKMZWXRSVUEICZ-UHFFFAOYSA-N 0 0 196.637 2.300 10 0 AEAERN Cc1nnc(SCC[C@H](C)F)o1 307939588 572804733 /nfs/dbraw/zinc/80/47/33/572804733.db2.gz AZSZIPCMQACIIY-YFKPBYRVSA-N 0 0 190.243 2.218 10 0 AEAERN COc1ccc2c(c1)[C@H](N(C)O)CC2 75068080 572804778 /nfs/dbraw/zinc/80/47/78/572804778.db2.gz PCWVNGBERWWEEP-LLVKDONJSA-N 0 0 193.246 2.004 10 0 AEAERN CCc1ccc(OC)c(CN(C)O)c1 75068180 572804810 /nfs/dbraw/zinc/80/48/10/572804810.db2.gz PBKLHFRLBHMVEN-UHFFFAOYSA-N 0 0 195.262 2.079 10 0 AEAERN C[C@@H](CC[NH3+])c1cccc(Cl)c1O 75068375 572804822 /nfs/dbraw/zinc/80/48/22/572804822.db2.gz XZIJWQQCPVVRIT-ZETCQYMHSA-N 0 0 199.681 2.498 10 0 AEAERN O=Nc1ccccc1O 118104045 572804830 /nfs/dbraw/zinc/80/48/30/572804830.db2.gz RAUWKVGQZKZHEJ-UHFFFAOYSA-N 0 0 122.103 2.228 10 0 AEAERN CC(C)[C@](C)(CO)COC(C)(C)C 308133278 572804920 /nfs/dbraw/zinc/80/49/20/572804920.db2.gz GMQPWROZCXKSHO-LLVKDONJSA-N 0 0 188.311 2.456 10 0 AEAERN Cc1nc(C)c(-c2cc(N)oc2C)o1 257583356 572804923 /nfs/dbraw/zinc/80/49/23/572804923.db2.gz FGQYVSSAVYUWGN-UHFFFAOYSA-N 0 0 192.218 2.442 10 0 AEAERN COc1c(C(C)=O)ccc2[nH]ccc12 75067943 572804927 /nfs/dbraw/zinc/80/49/27/572804927.db2.gz KCMWQYXKOSFZJC-UHFFFAOYSA-N 0 0 189.214 2.379 10 0 AEAERN Nc1ccc([C@@H]2CCCSC2)o1 257583451 572804955 /nfs/dbraw/zinc/80/49/55/572804955.db2.gz ILRATDRDVOYDSN-SSDOTTSWSA-N 0 0 183.276 2.472 10 0 AEAERN CONCc1ccc2c(C)coc2c1 75067989 572804973 /nfs/dbraw/zinc/80/49/73/572804973.db2.gz 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/nfs/dbraw/zinc/80/52/08/572805208.db2.gz NKYHHKYAEAMYGX-UHFFFAOYSA-N 0 0 182.273 2.454 10 0 AEAERN CCC(=O)c1ccc(C=O)cc1 49804762 572805215 /nfs/dbraw/zinc/80/52/15/572805215.db2.gz SDSGCVCUSADRFA-UHFFFAOYSA-N 0 0 162.188 2.092 10 0 AEAERN Nc1[nH]ccc1-c1cc2c([nH]1)CCC2 257583442 572805347 /nfs/dbraw/zinc/80/53/47/572805347.db2.gz IGQZXEJZOVXTLX-UHFFFAOYSA-N 0 0 187.246 2.081 10 0 AEAERN CCc1oc(N)cc1-c1ccccn1 257583815 572805552 /nfs/dbraw/zinc/80/55/52/572805552.db2.gz LNGVQGFPRZWSMZ-UHFFFAOYSA-N 0 0 188.230 2.486 10 0 AEAERN Nc1[nH]ccc1Cc1cccs1 257572816 572805557 /nfs/dbraw/zinc/80/55/57/572805557.db2.gz QEAASEVIPINQOJ-UHFFFAOYSA-N 0 0 178.260 2.249 10 0 AEAERN Nc1ccc(C2CCSCC2)o1 257583850 572805563 /nfs/dbraw/zinc/80/55/63/572805563.db2.gz PJVBLAHNSXBCAR-UHFFFAOYSA-N 0 0 183.276 2.472 10 0 AEAERN CCc1oc(N)cc1-c1cccnc1 257583864 572805606 /nfs/dbraw/zinc/80/56/06/572805606.db2.gz QDSMIFKAMWULPF-UHFFFAOYSA-N 0 0 188.230 2.486 10 0 AEAERN CC[C@H](CCC[C@@H](C)O)C(C)=O 307941933 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196691152 572805913 /nfs/dbraw/zinc/80/59/13/572805913.db2.gz QBQYNLKZVWIMOO-UHFFFAOYSA-N 0 0 199.300 2.045 10 0 AEAERN CCC(=O)[C@H](CC)[C@H]1CCOC1 307941656 572805927 /nfs/dbraw/zinc/80/59/27/572805927.db2.gz AFGZQQBQMPEDHD-DTWKUNHWSA-N 0 0 170.252 2.028 10 0 AEAERN Nc1ccc(-c2cncs2)s1 257583822 572805948 /nfs/dbraw/zinc/80/59/48/572805948.db2.gz MMUMYXOFEQYNNV-UHFFFAOYSA-N 0 0 182.273 2.454 10 0 AEAERN CCc1oc(N)cc1-c1ccncc1 257583807 572805952 /nfs/dbraw/zinc/80/59/52/572805952.db2.gz JYPFINBCWVYBRV-UHFFFAOYSA-N 0 0 188.230 2.486 10 0 AEAERN CCCCOC(=O)C1(SC)CC1 307941370 572806046 /nfs/dbraw/zinc/80/60/46/572806046.db2.gz CKXDTCYLSZNNFV-UHFFFAOYSA-N 0 0 188.292 2.225 10 0 AEAERN Cc1cn2c(n1)[C@@H](C)CCC2 49804546 572806053 /nfs/dbraw/zinc/80/60/53/572806053.db2.gz SHMALGMDJTVNFR-ZETCQYMHSA-N 0 0 150.225 2.089 10 0 AEAERN O=C(CC1CCCCC1)[C@@H](O)C1CC1 236519610 572806062 /nfs/dbraw/zinc/80/60/62/572806062.db2.gz PBRFOROKMWLUPC-LBPRGKRZSA-N 0 0 196.290 2.297 10 0 AEAERN 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/nfs/dbraw/zinc/80/72/13/572807213.db2.gz VUJOLOROGUDJEM-QMMMGPOBSA-N 0 0 150.225 2.089 10 0 AEAERN CC[C@H](C)C(=O)O[C@@H](C)C1CC1 307941786 572807289 /nfs/dbraw/zinc/80/72/89/572807289.db2.gz CSIYQIKDHOUZPQ-YUMQZZPRSA-N 0 0 170.252 2.374 10 0 AEAERN CCC(=O)[C@@H](CC)[C@H]1CCOC1 307941658 572807519 /nfs/dbraw/zinc/80/75/19/572807519.db2.gz AFGZQQBQMPEDHD-IUCAKERBSA-N 0 0 170.252 2.028 10 0 AEAERN OCc1cc2sccc2nc1Cl 196693184 572807452 /nfs/dbraw/zinc/80/74/52/572807452.db2.gz VXHVRVFQOMBHMG-UHFFFAOYSA-N 0 0 199.662 2.442 10 0 AEAERN OCCC/C=C/C=C\C(F)(F)F 307941292 572807458 /nfs/dbraw/zinc/80/74/58/572807458.db2.gz ZCRUBIXWQWDEIV-DHXNAFAQSA-N 0 0 180.169 2.434 10 0 AEAERN CSCCCNc1nc(C)co1 308138567 572807689 /nfs/dbraw/zinc/80/76/89/572807689.db2.gz FURABEBNLQWRHO-UHFFFAOYSA-N 0 0 186.280 2.148 10 0 AEAERN CCO[C@H](CC)[C@@H](O)CCCCF 308137224 572807637 /nfs/dbraw/zinc/80/76/37/572807637.db2.gz IWKUYAOCROCQDA-VHSXEESVSA-N 0 0 192.274 2.302 10 0 AEAERN C[Si]1(CCCO)CCCC1 196685963 572807646 /nfs/dbraw/zinc/80/76/46/572807646.db2.gz MTGZAUNMZDXCPO-UHFFFAOYSA-N 0 0 158.317 2.241 10 0 AEAERN CCO[C@@H](CC)[C@@H](O)CCCCF 308137223 572807801 /nfs/dbraw/zinc/80/78/01/572807801.db2.gz IWKUYAOCROCQDA-UWVGGRQHSA-N 0 0 192.274 2.302 10 0 AEAERN CCO[C@H](CC)[C@H](O)CCCCF 308137222 572807822 /nfs/dbraw/zinc/80/78/22/572807822.db2.gz IWKUYAOCROCQDA-NXEZZACHSA-N 0 0 192.274 2.302 10 0 AEAERN CC(C)C[C@H](C)[C@H](O)[C@H](O)C(C)C 308138488 572807849 /nfs/dbraw/zinc/80/78/49/572807849.db2.gz JUNBTGBTZMLPAT-AXFHLTTASA-N 0 0 188.311 2.046 10 0 AEAERN CC(C)[C@H](C)NC(=O)[C@@H](F)C(C)C 308137427 572807833 /nfs/dbraw/zinc/80/78/33/572807833.db2.gz GDGXKIFZHSSHRD-IUCAKERBSA-N 0 0 189.274 2.141 10 0 AEAERN CSCCOC(=O)C(C)=C(C)C 308137998 572807875 /nfs/dbraw/zinc/80/78/75/572807875.db2.gz FLMCFHPWPNATFO-UHFFFAOYSA-N 0 0 188.292 2.249 10 0 AEAERN CCC[C@@H](C)[C@H](NN)C1(CC)CC1 308137207 572807919 /nfs/dbraw/zinc/80/79/19/572807919.db2.gz IVDJVROLZKZZDT-ZJUUUORDSA-N 0 0 184.327 2.445 10 0 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GYEYKBOEKLCKLQ-UHFFFAOYSA-N 0 0 190.246 2.078 10 0 AEAERN CC(C)c1noc(Cl)c1C=O 75119038 572819223 /nfs/dbraw/zinc/81/92/23/572819223.db2.gz SXTJGVRDEQKNLJ-UHFFFAOYSA-N 0 0 173.599 2.264 10 0 AEAERN COc1c(N)ccc2c1c(C)cn2C 75119446 572819388 /nfs/dbraw/zinc/81/93/88/572819388.db2.gz IBFQQAXDSNDZKW-UHFFFAOYSA-N 0 0 190.246 2.078 10 0 AEAERN CCCOC(=O)[C@H]1C[C@]1(C)CC 307947672 572819394 /nfs/dbraw/zinc/81/93/94/572819394.db2.gz LKXIDLGWIKUWPQ-SCZZXKLOSA-N 0 0 170.252 2.376 10 0 AEAERN O=C1CCCCC[C@@H]1Cc1cn[nH]c1 75120392 572819411 /nfs/dbraw/zinc/81/94/11/572819411.db2.gz XGLYVIDAFGGAAF-SNVBAGLBSA-N 0 0 192.262 2.102 10 0 AEAERN CCC(=O)O[C@H](C)c1nccs1 307947664 572819501 /nfs/dbraw/zinc/81/95/01/572819501.db2.gz LJNVQYOLSCELEN-ZCFIWIBFSA-N 0 0 185.248 2.157 10 0 AEAERN O=C1CCCOC12CCCCC2 196947899 572819528 /nfs/dbraw/zinc/81/95/28/572819528.db2.gz KXJQJWROCDSMRA-UHFFFAOYSA-N 0 0 168.236 2.069 10 0 AEAERN Cn1ccc(N)c1CCC(F)(F)F 75120112 572819530 /nfs/dbraw/zinc/81/95/30/572819530.db2.gz NTWRKSHZRBOYPK-UHFFFAOYSA-N 0 0 192.184 2.102 10 0 AEAERN O=C1CCSC[C@@H]1CC(F)(F)F 75124374 572819542 /nfs/dbraw/zinc/81/95/42/572819542.db2.gz DIOCSTAJRWIGIA-YFKPBYRVSA-N 0 0 198.209 2.261 10 0 AEAERN CC[C@H](C)C(=O)OC[C@@H]1C[C@@H]1C 307946969 572819545 /nfs/dbraw/zinc/81/95/45/572819545.db2.gz KJCRZORYCRHMTR-CIUDSAMLSA-N 0 0 170.252 2.232 10 0 AEAERN Cc1cc(C=O)c(Cl)o1 75118844 572819575 /nfs/dbraw/zinc/81/95/75/572819575.db2.gz SIUICPIOCIPDSF-UHFFFAOYSA-N 0 0 144.557 2.054 10 0 AEAERN CCCOC(=O)[C@H]1C[C@@]1(C)CC 307947671 572819598 /nfs/dbraw/zinc/81/95/98/572819598.db2.gz LKXIDLGWIKUWPQ-PSASIEDQSA-N 0 0 170.252 2.376 10 0 AEAERN CO[C@@H]1CCC[C@@H]1[C@H](C)CC(C)=O 308135185 572819658 /nfs/dbraw/zinc/81/96/58/572819658.db2.gz NOYKWIJOZOMFHF-FBIMIBRVSA-N 0 0 184.279 2.417 10 0 AEAERN Cc1n[nH]cc1NC1CCSCC1 75124182 572819709 /nfs/dbraw/zinc/81/97/09/572819709.db2.gz HSVYLSGSDRWLMC-UHFFFAOYSA-N 0 0 197.307 2.026 10 0 AEAERN CC(=O)c1c(C)nsc1Cl 196950269 572819716 /nfs/dbraw/zinc/81/97/16/572819716.db2.gz FTTDWHVWVNZKDM-UHFFFAOYSA-N 0 0 175.640 2.308 10 0 AEAERN Cn1ccc2c(N)ccc(Cl)c21 75119278 572819804 /nfs/dbraw/zinc/81/98/04/572819804.db2.gz WFHGUATTWQLOIY-UHFFFAOYSA-N 0 0 180.638 2.414 10 0 AEAERN Cc1cc(N)c(N)cc1-c1cccnc1 238560322 572819828 /nfs/dbraw/zinc/81/98/28/572819828.db2.gz RCMIWQIEQLYKPG-UHFFFAOYSA-N 0 0 199.257 2.221 10 0 AEAERN Cc1ccc(-c2ccccc2C=O)nn1 238559248 572819865 /nfs/dbraw/zinc/81/98/65/572819865.db2.gz JOQKISHCDZOWHH-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN c1ccn(NCCc2ccsc2)c1 85830822 572819952 /nfs/dbraw/zinc/81/99/52/572819952.db2.gz TZQKEFQKLAXSHA-UHFFFAOYSA-N 0 0 192.287 2.336 10 0 AEAERN COCC[C@H](C)Nn1c(C)ccc1C 85829846 572820019 /nfs/dbraw/zinc/82/00/19/572820019.db2.gz GRHQFFHGOGZMAQ-VIFPVBQESA-N 0 0 196.294 2.073 10 0 AEAERN COCC[C@@H](C)Nn1c(C)ccc1C 85829847 572820050 /nfs/dbraw/zinc/82/00/50/572820050.db2.gz GRHQFFHGOGZMAQ-SECBINFHSA-N 0 0 196.294 2.073 10 0 AEAERN Cc1cc2cc(Cl)ccn2n1 75118987 572820075 /nfs/dbraw/zinc/82/00/75/572820075.db2.gz PDTAFGQEXDAODD-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN CO[C@@H]1CCC[C@H]1[C@@H](C)CC(C)=O 308135186 572820096 /nfs/dbraw/zinc/82/00/96/572820096.db2.gz NOYKWIJOZOMFHF-INTQDDNPSA-N 0 0 184.279 2.417 10 0 AEAERN CC[C@H](C)C(=O)OC[C@H]1C[C@@H]1C 307946972 572820117 /nfs/dbraw/zinc/82/01/17/572820117.db2.gz KJCRZORYCRHMTR-XHNCKOQMSA-N 0 0 170.252 2.232 10 0 AEAERN c1csc(CCNn2cccc2)c1 85830418 572820120 /nfs/dbraw/zinc/82/01/20/572820120.db2.gz JLJASDACEFFEOQ-UHFFFAOYSA-N 0 0 192.287 2.336 10 0 AEAERN Cn1c2ccccc2c2cc(C=O)[nH]c21 75124399 572820133 /nfs/dbraw/zinc/82/01/33/572820133.db2.gz WULBUMDVVWKVFA-UHFFFAOYSA-N 0 0 198.225 2.472 10 0 AEAERN CC(=O)c1cccn1CCOC(C)C 85832505 572820184 /nfs/dbraw/zinc/82/01/84/572820184.db2.gz OCYJONHIPARXDR-UHFFFAOYSA-N 0 0 195.262 2.116 10 0 AEAERN Cc1cnnc(N[C@@H]2CCC[C@H]2C)c1 235267061 572820217 /nfs/dbraw/zinc/82/02/17/572820217.db2.gz FUGQSXDKNFKPFM-NXEZZACHSA-N 0 0 191.278 2.386 10 0 AEAERN CC(C)CCOCCNn1cccc1 85830784 572820241 /nfs/dbraw/zinc/82/02/41/572820241.db2.gz LQPCQAXZPZHJNS-UHFFFAOYSA-N 0 0 196.294 2.094 10 0 AEAERN COCCCc1ccc(F)cc1 118176746 572820403 /nfs/dbraw/zinc/82/04/03/572820403.db2.gz CMLNLPHYBWECOL-UHFFFAOYSA-N 0 0 168.211 2.405 10 0 AEAERN O=C1CSCC[C@H]1CC(F)(F)F 75124379 572820245 /nfs/dbraw/zinc/82/02/45/572820245.db2.gz GMEYDHPWGQJBCC-YFKPBYRVSA-N 0 0 198.209 2.261 10 0 AEAERN C[C@@H](NCCCCF)C(F)(F)F 307947104 572820273 /nfs/dbraw/zinc/82/02/73/572820273.db2.gz KSEHGKGBQHCHHX-ZCFIWIBFSA-N 0 0 187.180 2.277 10 0 AEAERN Cc1ccc(C)n1NCCOC(C)C 85831053 572820303 /nfs/dbraw/zinc/82/03/03/572820303.db2.gz DTJFMZXNDQMIIM-UHFFFAOYSA-N 0 0 196.294 2.073 10 0 AEAERN CCOc1ccc2c(c1)C(=O)[C@@H](C)O2 49851004 572820406 /nfs/dbraw/zinc/82/04/06/572820406.db2.gz IVPYVSICHBUPEY-SSDOTTSWSA-N 0 0 192.214 2.049 10 0 AEAERN Cn1c(C=O)cc2c1C(C)(C)CCC2 75119625 572820361 /nfs/dbraw/zinc/82/03/61/572820361.db2.gz FMAGHWMSXRUWFK-UHFFFAOYSA-N 0 0 191.274 2.452 10 0 AEAERN CCCOC(=O)[C@@H]1C[C@]1(C)CC 307947674 572820384 /nfs/dbraw/zinc/82/03/84/572820384.db2.gz LKXIDLGWIKUWPQ-WPRPVWTQSA-N 0 0 170.252 2.376 10 0 AEAERN CC[Si](C)(C)c1ccc(C=O)cc1 196951612 572820510 /nfs/dbraw/zinc/82/05/10/572820510.db2.gz HYUMFBNTPNZIFT-UHFFFAOYSA-N 0 0 192.334 2.434 10 0 AEAERN CC[C@H](C)C(=O)OC[C@@H]1C[C@H]1C 307946973 572820518 /nfs/dbraw/zinc/82/05/18/572820518.db2.gz KJCRZORYCRHMTR-YIZRAAEISA-N 0 0 170.252 2.232 10 0 AEAERN O=C1CSCC[C@@H]1CC(F)(F)F 75124381 572820523 /nfs/dbraw/zinc/82/05/23/572820523.db2.gz GMEYDHPWGQJBCC-RXMQYKEDSA-N 0 0 198.209 2.261 10 0 AEAERN O[C@@H]1CCCC[C@H]1C=C(F)F 196952159 572820535 /nfs/dbraw/zinc/82/05/35/572820535.db2.gz LURDLDRYULBFFX-NKWVEPMBSA-N 0 0 162.179 2.318 10 0 AEAERN Cn1c(=O)[nH]c2ccc3ccccc3c21 238558960 572820562 /nfs/dbraw/zinc/82/05/62/572820562.db2.gz HHXUODYVKBTHIM-UHFFFAOYSA-N 0 0 198.225 2.020 10 0 AEAERN O[C@H]1CCc2c[nH]c3cccc1c23 196951793 572820599 /nfs/dbraw/zinc/82/05/99/572820599.db2.gz WATLWIZOMXLGLM-JTQLQIEISA-N 0 0 173.215 2.148 10 0 AEAERN CC(C)c1cccc(CO)c1F 196951595 572820637 /nfs/dbraw/zinc/82/06/37/572820637.db2.gz CUGFLBFFQSSCIZ-UHFFFAOYSA-N 0 0 168.211 2.441 10 0 AEAERN CC(C)[C@@H](O)C(F)=C(F)F 196952054 572820645 /nfs/dbraw/zinc/82/06/45/572820645.db2.gz GAUKFSXUCKLXPX-RXMQYKEDSA-N 0 0 154.131 2.081 10 0 AEAERN CC(C)[C@H](O)C(F)=C(F)F 196952042 572820650 /nfs/dbraw/zinc/82/06/50/572820650.db2.gz GAUKFSXUCKLXPX-YFKPBYRVSA-N 0 0 154.131 2.081 10 0 AEAERN C[C@]12C=C[C@H](CCC1=O)CC2 196954518 572820663 /nfs/dbraw/zinc/82/06/63/572820663.db2.gz CZLYQJWPKKTTCU-WCBMZHEXSA-N 0 0 150.221 2.322 10 0 AEAERN Cc1ccc(C)n1NCCC1CC1 85831015 572820665 /nfs/dbraw/zinc/82/06/65/572820665.db2.gz YWAYVWBZBYEMGQ-UHFFFAOYSA-N 0 0 178.279 2.449 10 0 AEAERN C[C@@]12C=C[C@@H](CCC1=O)CC2 196954553 572820684 /nfs/dbraw/zinc/82/06/84/572820684.db2.gz CZLYQJWPKKTTCU-SCZZXKLOSA-N 0 0 150.221 2.322 10 0 AEAERN Cn1c(C=O)cc2c3ccccc3[nH]c21 75124397 572820843 /nfs/dbraw/zinc/82/08/43/572820843.db2.gz LBLRBHJAMNEFIE-UHFFFAOYSA-N 0 0 198.225 2.472 10 0 AEAERN CC(=O)c1ccn(CCOC(C)C)c1 85832802 572820933 /nfs/dbraw/zinc/82/09/33/572820933.db2.gz MESMOSJHUCAHNX-UHFFFAOYSA-N 0 0 195.262 2.116 10 0 AEAERN CCCCn1cccc1[C@@H](C)O 85833065 572821026 /nfs/dbraw/zinc/82/10/26/572821026.db2.gz VABZUUKMESASEZ-SECBINFHSA-N 0 0 167.252 2.342 10 0 AEAERN CCC(=O)[C@@H](C)Cc1c(C)n[nH]c1C 75121754 572821082 /nfs/dbraw/zinc/82/10/82/572821082.db2.gz UZBPZYQMPVESKY-ZETCQYMHSA-N 0 0 194.278 2.184 10 0 AEAERN c1ccc2[nH]c(=Nn3cccc3)[nH]c2c1 85832043 572821163 /nfs/dbraw/zinc/82/11/63/572821163.db2.gz YYTZPXBLOCTFKM-UHFFFAOYSA-N 0 0 198.229 2.240 10 0 AEAERN OCc1c(Cl)[nH]c2ccc(F)cc12 71465365 572821329 /nfs/dbraw/zinc/82/13/29/572821329.db2.gz LFMUXDAXQGILNR-UHFFFAOYSA-N 0 0 199.612 2.453 10 0 AEAERN Cc1cnc(N[C@H]2CCCSC2)o1 75124606 572821365 /nfs/dbraw/zinc/82/13/65/572821365.db2.gz YMAYMJLGOOURAT-QMMMGPOBSA-N 0 0 198.291 2.291 10 0 AEAERN CC[C@H](F)COC(=O)/C=C\SC 307947939 572821413 /nfs/dbraw/zinc/82/14/13/572821413.db2.gz LPVXGQIUSUFRLS-MJSGSUOKSA-N 0 0 192.255 2.154 10 0 AEAERN COC[C@@H]1Nc2ccccc2C[C@@H]1C 234856756 572821425 /nfs/dbraw/zinc/82/14/25/572821425.db2.gz QJVDMLXXVNAJLU-CABZTGNLSA-N 0 0 191.274 2.306 10 0 AEAERN CC(C)C[C@@H]1Nc2cocc2NC1=O 75121500 572821487 /nfs/dbraw/zinc/82/14/87/572821487.db2.gz AAFKOMDLGGTFTP-ZETCQYMHSA-N 0 0 194.234 2.058 10 0 AEAERN CCOCCCn1ccc(C(C)=O)c1 85832971 572821489 /nfs/dbraw/zinc/82/14/89/572821489.db2.gz JTXJCHILXPPTCB-UHFFFAOYSA-N 0 0 195.262 2.117 10 0 AEAERN CC[C@@H](O)c1c(C)cc(O)cc1C 71456827 572821502 /nfs/dbraw/zinc/82/15/02/572821502.db2.gz BELZWCJJAVYSKA-SNVBAGLBSA-N 0 0 180.247 2.452 10 0 AEAERN CCc1cc(OC)ccc1C(C)=O 71463277 572821507 /nfs/dbraw/zinc/82/15/07/572821507.db2.gz FTSWYMYIWOINGE-UHFFFAOYSA-N 0 0 178.231 2.460 10 0 AEAERN CC[C@H](C[C@@H](O)C(C)(C)C)[C@H](C)O 308144283 572821516 /nfs/dbraw/zinc/82/15/16/572821516.db2.gz MXKLYTUBJWFIRQ-IVZWLZJFSA-N 0 0 188.311 2.191 10 0 AEAERN Cc1cc(O)c([C@H](C)O)cc1Cl 71454605 572821535 /nfs/dbraw/zinc/82/15/35/572821535.db2.gz XLADSXRJYKTQIA-LURJTMIESA-N 0 0 186.638 2.407 10 0 AEAERN CS[C@H](C)C(=O)OCC1CCC1 308140424 572821545 /nfs/dbraw/zinc/82/15/45/572821545.db2.gz GYRJSKXTPROBFY-SSDOTTSWSA-N 0 0 188.292 2.081 10 0 AEAERN Cc1cccnc1[C@H](O)CC(C)C 49850080 572821575 /nfs/dbraw/zinc/82/15/75/572821575.db2.gz STHUOLYMUYNJJI-SNVBAGLBSA-N 0 0 179.263 2.470 10 0 AEAERN Cc1cc(O)c([C@@H](C)O)cc1Cl 71454604 572821579 /nfs/dbraw/zinc/82/15/79/572821579.db2.gz XLADSXRJYKTQIA-ZCFIWIBFSA-N 0 0 186.638 2.407 10 0 AEAERN CC[C@@H](F)COC(=O)/C=C\SC 307947937 572821670 /nfs/dbraw/zinc/82/16/70/572821670.db2.gz LPVXGQIUSUFRLS-IQXGSHKSSA-N 0 0 192.255 2.154 10 0 AEAERN Cn1cccc1Cc1cc(N)cs1 75120517 572821676 /nfs/dbraw/zinc/82/16/76/572821676.db2.gz QUHNNUXPZAGEAZ-UHFFFAOYSA-N 0 0 192.287 2.260 10 0 AEAERN C[C@@H]1Oc2cc3c(cc2C1=O)CCC3 49851001 572821688 /nfs/dbraw/zinc/82/16/88/572821688.db2.gz GSJIIZXZZBFONA-ZETCQYMHSA-N 0 0 188.226 2.139 10 0 AEAERN CC(C)(C)c1ccc(CCON)cc1 75121176 572821748 /nfs/dbraw/zinc/82/17/48/572821748.db2.gz HAVRVUBJDCRPFU-UHFFFAOYSA-N 0 0 193.290 2.417 10 0 AEAERN CSCCCNn1c(C)ccc1C 85829816 572821772 /nfs/dbraw/zinc/82/17/72/572821772.db2.gz VANSHMUBAYRIJB-UHFFFAOYSA-N 0 0 198.335 2.402 10 0 AEAERN CC[C@H](O)c1c(C)cc(O)cc1C 71456826 572821784 /nfs/dbraw/zinc/82/17/84/572821784.db2.gz BELZWCJJAVYSKA-JTQLQIEISA-N 0 0 180.247 2.452 10 0 AEAERN CC/C=C(\C)C(=O)N(C)C(C)C 307949273 572821794 /nfs/dbraw/zinc/82/17/94/572821794.db2.gz BDUWUVDNLXCHAI-VQHVLOKHSA-N 0 0 169.268 2.210 10 0 AEAERN CCOc1c(C)ccc(C)c1N 71457330 572821833 /nfs/dbraw/zinc/82/18/33/572821833.db2.gz GCFPSHVFGYGWPW-UHFFFAOYSA-N 0 0 165.236 2.284 10 0 AEAERN CCc1cc(OC)ccc1[C@H](C)O 71463303 572821844 /nfs/dbraw/zinc/82/18/44/572821844.db2.gz XCMPAEFQQSDSKM-QMMMGPOBSA-N 0 0 180.247 2.311 10 0 AEAERN CCC(=O)[C@H](C)Cc1c(C)n[nH]c1C 75121756 572821866 /nfs/dbraw/zinc/82/18/66/572821866.db2.gz UZBPZYQMPVESKY-SSDOTTSWSA-N 0 0 194.278 2.184 10 0 AEAERN CC(C)C[C@@H]1Nc2ccoc2NC1=O 75121506 572821937 /nfs/dbraw/zinc/82/19/37/572821937.db2.gz PJYAPEDFZQSZDW-QMMMGPOBSA-N 0 0 194.234 2.058 10 0 AEAERN CC[C@H](F)CSCCC1(O)CC1 307949269 572821946 /nfs/dbraw/zinc/82/19/46/572821946.db2.gz BDOGGQCDCMTVGR-QMMMGPOBSA-N 0 0 192.299 2.383 10 0 AEAERN c1ccc2c(c1)C[C@@H]2CNn1cccc1 85830816 572821984 /nfs/dbraw/zinc/82/19/84/572821984.db2.gz YHHBIWAVBWCORK-GFCCVEGCSA-N 0 0 198.269 2.372 10 0 AEAERN O=C1CCCCC[C@@H]1Cc1cocn1 75120925 572822036 /nfs/dbraw/zinc/82/20/36/572822036.db2.gz MBZYHUAKWHMRBV-SECBINFHSA-N 0 0 193.246 2.367 10 0 AEAERN CC(C)C[C@H](C)OC(=O)C(F)F 307948774 572822049 /nfs/dbraw/zinc/82/20/49/572822049.db2.gz MEWATFZVNQJNAQ-LURJTMIESA-N 0 0 180.194 2.229 10 0 AEAERN Cc1csc(-c2c(N)ccn2C)n1 75121147 572822080 /nfs/dbraw/zinc/82/20/80/572822080.db2.gz MHFKJCDUAUBWMG-UHFFFAOYSA-N 0 0 193.275 2.039 10 0 AEAERN Cc1cc2c(cc1F)N(C)CCCN2 75121618 572822087 /nfs/dbraw/zinc/82/20/87/572822087.db2.gz XRTBPYMSDHDCGL-UHFFFAOYSA-N 0 0 194.253 2.386 10 0 AEAERN Cc1cc(O)cc(C)c1[C@H](C)O 71456825 572822101 /nfs/dbraw/zinc/82/21/01/572822101.db2.gz SMAGTYXTZFIUOM-QMMMGPOBSA-N 0 0 166.220 2.062 10 0 AEAERN C[C@H]1Cc2c(O)cc(Cl)cc2N1 713760999 572822110 /nfs/dbraw/zinc/82/21/10/572822110.db2.gz MYSDPIHQBGRGMM-YFKPBYRVSA-N 0 0 183.638 2.402 10 0 AEAERN Cc1c(O)ccc([C@H](C)O)c1C 71456779 572822193 /nfs/dbraw/zinc/82/21/93/572822193.db2.gz NWWXSGCXMTUWMO-QMMMGPOBSA-N 0 0 166.220 2.062 10 0 AEAERN [NH3+]CCCCc1ccc([S-])cc1 238563846 572822224 /nfs/dbraw/zinc/82/22/24/572822224.db2.gz JQJOJNBRZKLLIQ-UHFFFAOYSA-N 0 0 181.304 2.257 10 0 AEAERN CC(C)C[C@@H]1Nc2occc2NC1=O 75121510 572822288 /nfs/dbraw/zinc/82/22/88/572822288.db2.gz FFPGYBFDBLVSMR-QMMMGPOBSA-N 0 0 194.234 2.058 10 0 AEAERN CC[C@H](COC)Nn1c(C)ccc1C 85829548 572822312 /nfs/dbraw/zinc/82/23/12/572822312.db2.gz SUHKKBBCSOWYCG-LLVKDONJSA-N 0 0 196.294 2.073 10 0 AEAERN C=C(C)[C@H](O)C1CCSCC1 389953171 572822321 /nfs/dbraw/zinc/82/23/21/572822321.db2.gz XLQKZAAWXDRUPG-VIFPVBQESA-N 0 0 172.293 2.067 10 0 AEAERN CC(=O)c1cc2sc(C)nc2n1C 75121629 572822339 /nfs/dbraw/zinc/82/23/39/572822339.db2.gz ZXBKGVLNJBSHKO-UHFFFAOYSA-N 0 0 194.259 2.146 10 0 AEAERN CCCC(=O)c1ccn(CCOC)c1 85841019 572827105 /nfs/dbraw/zinc/82/71/05/572827105.db2.gz PVFINKGBILXVLE-UHFFFAOYSA-N 0 0 195.262 2.117 10 0 AEAERN Cc1nc(N[C@@H]2CCSC2)oc1C 75124608 572822347 /nfs/dbraw/zinc/82/23/47/572822347.db2.gz PHUWEWLXHLAATA-MRVPVSSYSA-N 0 0 198.291 2.209 10 0 AEAERN C[C@@H]1Cc2c(O)cc(Cl)cc2N1 713760994 572822426 /nfs/dbraw/zinc/82/24/26/572822426.db2.gz MYSDPIHQBGRGMM-RXMQYKEDSA-N 0 0 183.638 2.402 10 0 AEAERN CCOCCCn1cccc1C(C)=O 85832659 572822440 /nfs/dbraw/zinc/82/24/40/572822440.db2.gz GBXSYHVGIJSXBG-UHFFFAOYSA-N 0 0 195.262 2.117 10 0 AEAERN c1ccc2c(c1)C[C@H]2CNn1cccc1 85830817 572822463 /nfs/dbraw/zinc/82/24/63/572822463.db2.gz YHHBIWAVBWCORK-LBPRGKRZSA-N 0 0 198.269 2.372 10 0 AEAERN Cc1n[nH]cc1N[C@H]1CCCSC1 75124188 572822471 /nfs/dbraw/zinc/82/24/71/572822471.db2.gz VJABSRABBONDKL-QMMMGPOBSA-N 0 0 197.307 2.026 10 0 AEAERN CC[C@@H](F)CSCCC1(O)CC1 307949268 572822618 /nfs/dbraw/zinc/82/26/18/572822618.db2.gz BDOGGQCDCMTVGR-MRVPVSSYSA-N 0 0 192.299 2.383 10 0 AEAERN Cc1coc(NC2CCSCC2)n1 75124613 572822689 /nfs/dbraw/zinc/82/26/89/572822689.db2.gz OBWMKCXGUUTWKU-UHFFFAOYSA-N 0 0 198.291 2.291 10 0 AEAERN CCOC(=O)C(CC)(CC)SC 307948749 572822710 /nfs/dbraw/zinc/82/27/10/572822710.db2.gz ATSGJAAYKQDUCE-UHFFFAOYSA-N 0 0 190.308 2.471 10 0 AEAERN Cc1nscc1-c1cc(N)cn1C 75121142 572822714 /nfs/dbraw/zinc/82/27/14/572822714.db2.gz SGYGQSPKZWKQCP-UHFFFAOYSA-N 0 0 193.275 2.039 10 0 AEAERN Cc1nc(N[C@H]2CCSC2)oc1C 75124610 572822727 /nfs/dbraw/zinc/82/27/27/572822727.db2.gz PHUWEWLXHLAATA-QMMMGPOBSA-N 0 0 198.291 2.209 10 0 AEAERN CCCCn1cccc1[C@H](C)O 85833068 572822771 /nfs/dbraw/zinc/82/27/71/572822771.db2.gz VABZUUKMESASEZ-VIFPVBQESA-N 0 0 167.252 2.342 10 0 AEAERN CC(C)C[C@H]1Nc2cocc2NC1=O 75121498 572822785 /nfs/dbraw/zinc/82/27/85/572822785.db2.gz AAFKOMDLGGTFTP-SSDOTTSWSA-N 0 0 194.234 2.058 10 0 AEAERN C[C@H]1CC[C@@H](C(=O)CCCCF)O1 308144442 572822823 /nfs/dbraw/zinc/82/28/23/572822823.db2.gz NCBAHPWQCSTLMQ-WPRPVWTQSA-N 0 0 188.242 2.263 10 0 AEAERN Cn1ccc(N)c1Cc1cccs1 75120527 572822847 /nfs/dbraw/zinc/82/28/47/572822847.db2.gz JDLNJSHUDRAJEJ-UHFFFAOYSA-N 0 0 192.287 2.260 10 0 AEAERN COC(=O)/C=C/c1cc(F)ccc1C 234603352 572822875 /nfs/dbraw/zinc/82/28/75/572822875.db2.gz TUVGFUDSTPXXGY-GQCTYLIASA-N 0 0 194.205 2.320 10 0 AEAERN C[C@@H]1CNc2ccc(F)cc2C1=O 71481837 572827094 /nfs/dbraw/zinc/82/70/94/572827094.db2.gz GMEIZCJGWGBMPW-ZCFIWIBFSA-N 0 0 179.194 2.070 10 0 AEAERN Cc1cccc2c1NC[C@H](C)C2=O 71481821 572827095 /nfs/dbraw/zinc/82/70/95/572827095.db2.gz MTJYFQSEZMSCEE-QMMMGPOBSA-N 0 0 175.231 2.239 10 0 AEAERN Cc1nc(C[C@@H]2CCCCC2=O)co1 75120921 572822938 /nfs/dbraw/zinc/82/29/38/572822938.db2.gz PAYQCDSRRPWXNY-VIFPVBQESA-N 0 0 193.246 2.285 10 0 AEAERN Cc1cccnc1[C@@H](O)CC(C)C 49850082 572822963 /nfs/dbraw/zinc/82/29/63/572822963.db2.gz STHUOLYMUYNJJI-JTQLQIEISA-N 0 0 179.263 2.470 10 0 AEAERN CCOCCCNn1c(C)ccc1C 85831014 572822985 /nfs/dbraw/zinc/82/29/85/572822985.db2.gz AKQHYAAALZYUKI-UHFFFAOYSA-N 0 0 196.294 2.075 10 0 AEAERN CC/C=C(/C)C(=O)N(C)C(C)C 307949272 572822995 /nfs/dbraw/zinc/82/29/95/572822995.db2.gz BDUWUVDNLXCHAI-CLFYSBASSA-N 0 0 169.268 2.210 10 0 AEAERN CC[C@H](F)COC(=O)C(C)(C)F 307948526 572823031 /nfs/dbraw/zinc/82/30/31/572823031.db2.gz LYSZEORUIWZXBS-LURJTMIESA-N 0 0 180.194 2.026 10 0 AEAERN Cc1cc(C[C@H]2CCCCC2=O)no1 75120939 572823039 /nfs/dbraw/zinc/82/30/39/572823039.db2.gz YYTNSZDBNIIAEW-SECBINFHSA-N 0 0 193.246 2.285 10 0 AEAERN CN1c2ccc(O)cc2NCC1(C)C 75120419 572823049 /nfs/dbraw/zinc/82/30/49/572823049.db2.gz YNZWZBWCXAXWHZ-UHFFFAOYSA-N 0 0 192.262 2.033 10 0 AEAERN CCc1cc(OC)ccc1[C@@H](C)O 71463302 572823069 /nfs/dbraw/zinc/82/30/69/572823069.db2.gz XCMPAEFQQSDSKM-MRVPVSSYSA-N 0 0 180.247 2.311 10 0 AEAERN O[C@H](CC1CC1)C1CCSCC1 389951512 572823073 /nfs/dbraw/zinc/82/30/73/572823073.db2.gz VAOTWNAWUITXGZ-SNVBAGLBSA-N 0 0 186.320 2.291 10 0 AEAERN O=C1CCCCC[C@H]1Cc1cocn1 75120923 572823109 /nfs/dbraw/zinc/82/31/09/572823109.db2.gz MBZYHUAKWHMRBV-VIFPVBQESA-N 0 0 193.246 2.367 10 0 AEAERN C[C@H]1CC[C@H](C(=O)CCCCF)O1 308144438 572823124 /nfs/dbraw/zinc/82/31/24/572823124.db2.gz NCBAHPWQCSTLMQ-WCBMZHEXSA-N 0 0 188.242 2.263 10 0 AEAERN CC[C@@H](O)c1ccc(O)cc1C 71453604 572823160 /nfs/dbraw/zinc/82/31/60/572823160.db2.gz YAGHELYVWXCKPZ-SNVBAGLBSA-N 0 0 166.220 2.144 10 0 AEAERN Cc1cc(O)c(C)c(C)c1[C@@H](C)O 71456318 572823164 /nfs/dbraw/zinc/82/31/64/572823164.db2.gz FTUQVMJZGNPREZ-SECBINFHSA-N 0 0 180.247 2.371 10 0 AEAERN Cc1cc(Cl)c(C)c(N)c1O 71457029 572823199 /nfs/dbraw/zinc/82/31/99/572823199.db2.gz HRNAFLBAGRTFSJ-UHFFFAOYSA-N 0 0 171.627 2.245 10 0 AEAERN Cc1n[nH]cc1N[C@@H]1CCCSC1 75124185 572823241 /nfs/dbraw/zinc/82/32/41/572823241.db2.gz VJABSRABBONDKL-MRVPVSSYSA-N 0 0 197.307 2.026 10 0 AEAERN CC[C@@H](Nn1cccc1)C1CC1 85828567 572823325 /nfs/dbraw/zinc/82/33/25/572823325.db2.gz MVEYEQVRTBZVSI-SNVBAGLBSA-N 0 0 164.252 2.220 10 0 AEAERN CC/C=C\C(=O)N(CC)CCC 307948681 572823340 /nfs/dbraw/zinc/82/33/40/572823340.db2.gz AQZBGJIQBXIDLB-FPLPWBNLSA-N 0 0 169.268 2.211 10 0 AEAERN Cc1c(O)ccc([C@@H](C)O)c1C 71456778 572823374 /nfs/dbraw/zinc/82/33/74/572823374.db2.gz NWWXSGCXMTUWMO-MRVPVSSYSA-N 0 0 166.220 2.062 10 0 AEAERN CS[C@H](C)CCc1nnc(C)o1 308139951 572823404 /nfs/dbraw/zinc/82/34/04/572823404.db2.gz GPAWPXHGGPEKRR-ZCFIWIBFSA-N 0 0 186.280 2.062 10 0 AEAERN Cc1cnc(-c2c(N)ccn2C)s1 75121145 572823522 /nfs/dbraw/zinc/82/35/22/572823522.db2.gz ARPRUEZSFHTNMS-UHFFFAOYSA-N 0 0 193.275 2.039 10 0 AEAERN CC(C)C[C@H]1Nc2occc2NC1=O 75121507 572823537 /nfs/dbraw/zinc/82/35/37/572823537.db2.gz FFPGYBFDBLVSMR-MRVPVSSYSA-N 0 0 194.234 2.058 10 0 AEAERN CC[C@H](C)[C@@H](C)Nn1cccc1 85828365 572823671 /nfs/dbraw/zinc/82/36/71/572823671.db2.gz WTSWJWJIPMYELC-VHSXEESVSA-N 0 0 166.268 2.466 10 0 AEAERN CC(C)C[C@H](C)Nn1cccc1 85828503 572824074 /nfs/dbraw/zinc/82/40/74/572824074.db2.gz GFFYSOYYKVOHIO-JTQLQIEISA-N 0 0 166.268 2.466 10 0 AEAERN O[C@@H](CC1CC1)C1CCSCC1 389951511 572823713 /nfs/dbraw/zinc/82/37/13/572823713.db2.gz VAOTWNAWUITXGZ-JTQLQIEISA-N 0 0 186.320 2.291 10 0 AEAERN Cc1nc(C[C@H]2CCCCC2=O)co1 75120922 572823723 /nfs/dbraw/zinc/82/37/23/572823723.db2.gz PAYQCDSRRPWXNY-SECBINFHSA-N 0 0 193.246 2.285 10 0 AEAERN CC(C)C[C@H]1Nc2ccoc2NC1=O 75121504 572823729 /nfs/dbraw/zinc/82/37/29/572823729.db2.gz PJYAPEDFZQSZDW-MRVPVSSYSA-N 0 0 194.234 2.058 10 0 AEAERN CC(C)C[C@@H](C)OC(=O)C(F)F 307948776 572823754 /nfs/dbraw/zinc/82/37/54/572823754.db2.gz MEWATFZVNQJNAQ-ZCFIWIBFSA-N 0 0 180.194 2.229 10 0 AEAERN CCCCn1ccc([C@H](C)O)c1 85833768 572823778 /nfs/dbraw/zinc/82/37/78/572823778.db2.gz CAPGIOGGJMESGW-VIFPVBQESA-N 0 0 167.252 2.342 10 0 AEAERN CC[C@@H](C)[C@@H](C)Nn1cccc1 85828363 572823868 /nfs/dbraw/zinc/82/38/68/572823868.db2.gz WTSWJWJIPMYELC-NXEZZACHSA-N 0 0 166.268 2.466 10 0 AEAERN CCC[C@H](C)CNn1cccc1 85828518 572823886 /nfs/dbraw/zinc/82/38/86/572823886.db2.gz VUQHJBLKNBQLAQ-JTQLQIEISA-N 0 0 166.268 2.468 10 0 AEAERN CON(CC(C)(C)C)C1CCC1 307949135 572823894 /nfs/dbraw/zinc/82/38/94/572823894.db2.gz AXOMYHHWFUJHIW-UHFFFAOYSA-N 0 0 171.284 2.448 10 0 AEAERN C[C@@H]1CC[C@H](C(=O)CCCCF)O1 308144431 572823914 /nfs/dbraw/zinc/82/39/14/572823914.db2.gz NCBAHPWQCSTLMQ-PSASIEDQSA-N 0 0 188.242 2.263 10 0 AEAERN CC[C@H](F)COC(=O)/C=C/SC 307947938 572823922 /nfs/dbraw/zinc/82/39/22/572823922.db2.gz LPVXGQIUSUFRLS-KPJROHGDSA-N 0 0 192.255 2.154 10 0 AEAERN C[C@@H]1CC[C@@H](C(=O)CCCCF)O1 308144433 572823924 /nfs/dbraw/zinc/82/39/24/572823924.db2.gz NCBAHPWQCSTLMQ-SCZZXKLOSA-N 0 0 188.242 2.263 10 0 AEAERN Cc1cnc(NC2CCSCC2)o1 75124602 572823952 /nfs/dbraw/zinc/82/39/52/572823952.db2.gz FOBWLTXONWAMRD-UHFFFAOYSA-N 0 0 198.291 2.291 10 0 AEAERN CC(C)COC(=O)N[C@H]1CC1(C)C 308140494 572823968 /nfs/dbraw/zinc/82/39/68/572823968.db2.gz IDFXCSNEOCREFB-QMMMGPOBSA-N 0 0 185.267 2.167 10 0 AEAERN CC(C)C[C@H](C)[C@@H](CC1CC1)NN 308144324 572824016 /nfs/dbraw/zinc/82/40/16/572824016.db2.gz MZVAYYGFFHZNTQ-GXSJLCMTSA-N 0 0 184.327 2.301 10 0 AEAERN CC[C@H](C[C@@H](O)C(C)(C)C)[C@@H](C)O 308144284 572824027 /nfs/dbraw/zinc/82/40/27/572824027.db2.gz MXKLYTUBJWFIRQ-OPRDCNLKSA-N 0 0 188.311 2.191 10 0 AEAERN CC[C@@H](O)c1ccc(O)c(C)c1C 71456781 572824083 /nfs/dbraw/zinc/82/40/83/572824083.db2.gz QKDFXXAYGAZGQG-SNVBAGLBSA-N 0 0 180.247 2.452 10 0 AEAERN OCc1c(Cl)[nH]c2c(F)cccc12 71465909 572824101 /nfs/dbraw/zinc/82/41/01/572824101.db2.gz FUUGSLRYTLVZSV-UHFFFAOYSA-N 0 0 199.612 2.453 10 0 AEAERN Cc1cnc(N[C@@H]2CCCSC2)o1 75124604 572824119 /nfs/dbraw/zinc/82/41/19/572824119.db2.gz YMAYMJLGOOURAT-MRVPVSSYSA-N 0 0 198.291 2.291 10 0 AEAERN COc1cc(C)ccc1[C@H](O)C1CC1 234859766 572824321 /nfs/dbraw/zinc/82/43/21/572824321.db2.gz JKMXLEMIUJIELH-GFCCVEGCSA-N 0 0 192.258 2.447 10 0 AEAERN CC(C)=CC(=O)O[C@H](C)C1CC1 308139954 572824184 /nfs/dbraw/zinc/82/41/84/572824184.db2.gz GPHRIJXKLMIABH-MRVPVSSYSA-N 0 0 168.236 2.294 10 0 AEAERN COC[C@@H]1Nc2ccccc2C[C@H]1C 234856797 572824194 /nfs/dbraw/zinc/82/41/94/572824194.db2.gz QJVDMLXXVNAJLU-SKDRFNHKSA-N 0 0 191.274 2.306 10 0 AEAERN Cc1cccc2c1N[C@@H](C)C2 71484210 572827765 /nfs/dbraw/zinc/82/77/65/572827765.db2.gz FSMHDCBTHQGJDD-QMMMGPOBSA-N 0 0 147.221 2.352 10 0 AEAERN COc1ccc(C(OC)OC)cc1C 118196060 572824267 /nfs/dbraw/zinc/82/42/67/572824267.db2.gz OWCLNFLYOXUNAG-UHFFFAOYSA-N 0 0 196.246 2.295 10 0 AEAERN Cc1cc(N[C@@H]2CCCSC2)n[nH]1 75124190 572824292 /nfs/dbraw/zinc/82/42/92/572824292.db2.gz ZAMXPZUXQMFSAV-MRVPVSSYSA-N 0 0 197.307 2.026 10 0 AEAERN CCO[C@H](C)c1ccc(C(=O)OC)o1 85827638 572824327 /nfs/dbraw/zinc/82/43/27/572824327.db2.gz QNCZNXIUJOSYNV-SSDOTTSWSA-N 0 0 198.218 2.164 10 0 AEAERN CCCOC(=O)[C@H]1C[C@@H]1C(C)C 307950012 572824357 /nfs/dbraw/zinc/82/43/57/572824357.db2.gz NGCCHRPRHJYOGO-BDAKNGLRSA-N 0 0 170.252 2.232 10 0 AEAERN CCC(O)(CC)[C@H](O)CCCCF 308144472 572827229 /nfs/dbraw/zinc/82/72/29/572827229.db2.gz NCPUKWFNSBRKTQ-SECBINFHSA-N 0 0 192.274 2.038 10 0 AEAERN CCCOC(=O)[C@@H]1C[C@@H]1C(C)C 307950017 572824410 /nfs/dbraw/zinc/82/44/10/572824410.db2.gz NGCCHRPRHJYOGO-RKDXNWHRSA-N 0 0 170.252 2.232 10 0 AEAERN C[C@H](NCC1(C)CC1)C(F)(F)F 307949802 572824505 /nfs/dbraw/zinc/82/45/05/572824505.db2.gz NAEOUGVSCYJCMD-LURJTMIESA-N 0 0 181.201 2.327 10 0 AEAERN CCCOC(=O)c1cncc(Cl)c1 307950455 572824523 /nfs/dbraw/zinc/82/45/23/572824523.db2.gz IMIKDQPPBHMVFR-UHFFFAOYSA-N 0 0 199.637 2.302 10 0 AEAERN CCC[C@@H](C)CNn1cccc1 85828516 572824580 /nfs/dbraw/zinc/82/45/80/572824580.db2.gz VUQHJBLKNBQLAQ-SNVBAGLBSA-N 0 0 166.268 2.468 10 0 AEAERN C[C@H](Cc1ccco1)Nn1cccc1 85828459 572824591 /nfs/dbraw/zinc/82/45/91/572824591.db2.gz XHNRVMRYSJLLBO-SNVBAGLBSA-N 0 0 190.246 2.256 10 0 AEAERN Cc1cc(C[C@@H]2CCCCC2=O)no1 75120933 572824605 /nfs/dbraw/zinc/82/46/05/572824605.db2.gz YYTNSZDBNIIAEW-VIFPVBQESA-N 0 0 193.246 2.285 10 0 AEAERN CCO[C@@H](C)c1ccc(C(=O)OC)o1 85827636 572824614 /nfs/dbraw/zinc/82/46/14/572824614.db2.gz QNCZNXIUJOSYNV-ZETCQYMHSA-N 0 0 198.218 2.164 10 0 AEAERN Cn1cc(N)cc1Cc1cccs1 75120522 572824644 /nfs/dbraw/zinc/82/46/44/572824644.db2.gz XDYPGSKXVSRILE-UHFFFAOYSA-N 0 0 192.287 2.260 10 0 AEAERN CCc1cccc2c1NCC[C@@H]2O 71480031 572824652 /nfs/dbraw/zinc/82/46/52/572824652.db2.gz ARKJFMOJPJBELU-JTQLQIEISA-N 0 0 177.247 2.098 10 0 AEAERN C[C@H](CC(=O)NCCF)C(C)(C)C 308140867 572824685 /nfs/dbraw/zinc/82/46/85/572824685.db2.gz IJFLGKXAZJZCGY-MRVPVSSYSA-N 0 0 189.274 2.144 10 0 AEAERN CC(C)[C@@H](CO)c1cccc(N)c1 71478656 572824707 /nfs/dbraw/zinc/82/47/07/572824707.db2.gz VCASVARUOLFZQR-LLVKDONJSA-N 0 0 179.263 2.001 10 0 AEAERN CC(C)[C@@H](CO)c1ccccc1N 71478695 572824718 /nfs/dbraw/zinc/82/47/18/572824718.db2.gz HEPZZIZGLHFANF-SNVBAGLBSA-N 0 0 179.263 2.001 10 0 AEAERN C/C=C/CN(CC(F)F)C1CC1 307950295 572824719 /nfs/dbraw/zinc/82/47/19/572824719.db2.gz NRECSFMHAIMQQV-NSCUHMNNSA-N 0 0 175.222 2.292 10 0 AEAERN CO[C@H]1CCC[C@H]1CC(=O)C1CC1 308141175 572824769 /nfs/dbraw/zinc/82/47/69/572824769.db2.gz UBNKTRFCXBUDTB-ONGXEEELSA-N 0 0 182.263 2.171 10 0 AEAERN CC(C)N(C)C(=O)C1(C(C)C)CC1 308140961 572824790 /nfs/dbraw/zinc/82/47/90/572824790.db2.gz IPEPIQYVIQNDNG-UHFFFAOYSA-N 0 0 183.295 2.289 10 0 AEAERN C/C=C(/CC)C(=O)OC1CCC1 307951025 572824802 /nfs/dbraw/zinc/82/48/02/572824802.db2.gz OAXNBYHHWKXHBW-BAQGIRSFSA-N 0 0 168.236 2.438 10 0 AEAERN Cc1ccc2c(c1)NC[C@@H](C)C2=O 71481830 572824814 /nfs/dbraw/zinc/82/48/14/572824814.db2.gz FDEISDBIBCMYHH-MRVPVSSYSA-N 0 0 175.231 2.239 10 0 AEAERN Cc1ccc(F)c(F)c1 71614069 572824828 /nfs/dbraw/zinc/82/48/28/572824828.db2.gz XSRJYVBVVGOJDF-UHFFFAOYSA-N 0 0 127.113 2.147 10 0 AEAERN Cc1cc2c(N)nccc2cc1F 71482630 572824832 /nfs/dbraw/zinc/82/48/32/572824832.db2.gz GAVBRXPMNDLJJO-UHFFFAOYSA-N 0 0 176.194 2.265 10 0 AEAERN CCCn1ccc([C@H](O)CC)c1 85838671 572824835 /nfs/dbraw/zinc/82/48/35/572824835.db2.gz SWUSXRWJXGFZPY-SNVBAGLBSA-N 0 0 167.252 2.342 10 0 AEAERN CCc1cccc2c1NCC[C@H]2O 71480032 572824879 /nfs/dbraw/zinc/82/48/79/572824879.db2.gz ARKJFMOJPJBELU-SNVBAGLBSA-N 0 0 177.247 2.098 10 0 AEAERN CC[C@H](C)[C@H](C)Nn1cccc1 85828368 572824917 /nfs/dbraw/zinc/82/49/17/572824917.db2.gz WTSWJWJIPMYELC-UWVGGRQHSA-N 0 0 166.268 2.466 10 0 AEAERN C[C@@H](Cc1ccco1)Nn1cccc1 85828456 572824943 /nfs/dbraw/zinc/82/49/43/572824943.db2.gz XHNRVMRYSJLLBO-JTQLQIEISA-N 0 0 190.246 2.256 10 0 AEAERN Cc1c[nH]c2c(C)ccc(C)c2c1=O 71489958 572827721 /nfs/dbraw/zinc/82/77/21/572827721.db2.gz MAPQJSGWAFGYFW-UHFFFAOYSA-N 0 0 187.242 2.453 10 0 AEAERN c1cc2c3c(c1)NC[C@@H]3CC2 71476925 572824953 /nfs/dbraw/zinc/82/49/53/572824953.db2.gz NJYNEJQITAUZFS-QMMMGPOBSA-N 0 0 145.205 2.142 10 0 AEAERN CCn1ccc(CNn2cccc2)c1 85828237 572824984 /nfs/dbraw/zinc/82/49/84/572824984.db2.gz MUMMRPFNOHQPST-UHFFFAOYSA-N 0 0 189.262 2.053 10 0 AEAERN CCc1ccc2c(c1)[C@@H](O)CCN2 71480048 572825023 /nfs/dbraw/zinc/82/50/23/572825023.db2.gz DRVKXPSUHOQGQY-NSHDSACASA-N 0 0 177.247 2.098 10 0 AEAERN CC[C@H](Nn1cccc1)C(C)C 85828205 572825074 /nfs/dbraw/zinc/82/50/74/572825074.db2.gz DCLJWPCGDMROFO-JTQLQIEISA-N 0 0 166.268 2.466 10 0 AEAERN C[C@H]1CC(=O)c2cccc(F)c2N1 71481872 572825124 /nfs/dbraw/zinc/82/51/24/572825124.db2.gz BRPNJUNHNGBHAU-LURJTMIESA-N 0 0 179.194 2.213 10 0 AEAERN C[C@@H](CC(=O)NCCF)C(C)(C)C 308140868 572825134 /nfs/dbraw/zinc/82/51/34/572825134.db2.gz IJFLGKXAZJZCGY-QMMMGPOBSA-N 0 0 189.274 2.144 10 0 AEAERN C[C@H]1CNc2ccc(F)cc2C1=O 71481838 572825188 /nfs/dbraw/zinc/82/51/88/572825188.db2.gz GMEIZCJGWGBMPW-LURJTMIESA-N 0 0 179.194 2.070 10 0 AEAERN Cn1nc(Cl)c(C=O)c1C1CCC1 75124805 572825189 /nfs/dbraw/zinc/82/51/89/572825189.db2.gz YHVWNBNPHYXVGH-UHFFFAOYSA-N 0 0 198.653 2.154 10 0 AEAERN CCC(=O)c1ccn(CCCOC)c1 85838485 572825194 /nfs/dbraw/zinc/82/51/94/572825194.db2.gz GTBMYJVUYCMRAC-UHFFFAOYSA-N 0 0 195.262 2.117 10 0 AEAERN CC[C@H](CC(=O)OCCF)SC 307949777 572825234 /nfs/dbraw/zinc/82/52/34/572825234.db2.gz MYAGISXGGDKVQL-SSDOTTSWSA-N 0 0 194.271 2.031 10 0 AEAERN CC(C)C[C@@H](C)Nn1cccc1 85828501 572825269 /nfs/dbraw/zinc/82/52/69/572825269.db2.gz GFFYSOYYKVOHIO-SNVBAGLBSA-N 0 0 166.268 2.466 10 0 AEAERN CCc1ccc2c(c1)[C@H](O)CCN2 71480047 572825291 /nfs/dbraw/zinc/82/52/91/572825291.db2.gz DRVKXPSUHOQGQY-LLVKDONJSA-N 0 0 177.247 2.098 10 0 AEAERN Cc1cc2c(cc1C)C(=O)CCN2 71481815 572825359 /nfs/dbraw/zinc/82/53/59/572825359.db2.gz IIKZJAUTNOSEAE-UHFFFAOYSA-N 0 0 175.231 2.302 10 0 AEAERN CCc1cccc2c1NC[C@@H](C)C2=O 71481844 572825365 /nfs/dbraw/zinc/82/53/65/572825365.db2.gz MXAZAQAOSFGOFH-MRVPVSSYSA-N 0 0 189.258 2.493 10 0 AEAERN Cc1ccc2c(c1)N[C@@H](C)CC2=O 71481878 572825376 /nfs/dbraw/zinc/82/53/76/572825376.db2.gz DNUHXZCAWDJJKJ-QMMMGPOBSA-N 0 0 175.231 2.382 10 0 AEAERN CCC(O)(CC)[C@@H](O)CCCCF 308144476 572825391 /nfs/dbraw/zinc/82/53/91/572825391.db2.gz NCPUKWFNSBRKTQ-VIFPVBQESA-N 0 0 192.274 2.038 10 0 AEAERN CCNc1c(C)ccc(C)c1O 71462805 572825422 /nfs/dbraw/zinc/82/54/22/572825422.db2.gz SBBICGOVKHOWCS-UHFFFAOYSA-N 0 0 165.236 2.441 10 0 AEAERN C[NH+](C)[C@H]1CCNc2c(F)cccc21 71479886 572825437 /nfs/dbraw/zinc/82/54/37/572825437.db2.gz GRECRXYEDTXKHR-JTQLQIEISA-N 0 0 194.253 2.244 10 0 AEAERN CCCn1ccc(C(=O)CC)c1 85838422 572825453 /nfs/dbraw/zinc/82/54/53/572825453.db2.gz KUNQJGMXIOZNLG-UHFFFAOYSA-N 0 0 165.236 2.491 10 0 AEAERN C[C@H]1[NH2+]CCn2c1cc1ccccc12 71478736 572825483 /nfs/dbraw/zinc/82/54/83/572825483.db2.gz DDUINAJMBKHGDT-SECBINFHSA-N 0 0 186.258 2.306 10 0 AEAERN CC[C@@H](Nn1cccc1)C(C)C 85828207 572825521 /nfs/dbraw/zinc/82/55/21/572825521.db2.gz DCLJWPCGDMROFO-SNVBAGLBSA-N 0 0 166.268 2.466 10 0 AEAERN CCOCCn1ccc(C(=O)CC)c1 85838388 572825579 /nfs/dbraw/zinc/82/55/79/572825579.db2.gz KOELATVRXIBORE-UHFFFAOYSA-N 0 0 195.262 2.117 10 0 AEAERN C[C@@H](NCC1(C)CC1)C(F)(F)F 307949803 572825583 /nfs/dbraw/zinc/82/55/83/572825583.db2.gz NAEOUGVSCYJCMD-ZCFIWIBFSA-N 0 0 181.201 2.327 10 0 AEAERN Cc1ccc2c(c1C)NCC[C@@H]2O 71480111 572825590 /nfs/dbraw/zinc/82/55/90/572825590.db2.gz QARKUXAFNYPLSN-JTQLQIEISA-N 0 0 177.247 2.152 10 0 AEAERN CC[C@@H](C)[C@H](C)Nn1cccc1 85828367 572825595 /nfs/dbraw/zinc/82/55/95/572825595.db2.gz WTSWJWJIPMYELC-ZJUUUORDSA-N 0 0 166.268 2.466 10 0 AEAERN C[C@@H]1CC(=O)c2cccc(F)c2N1 71481871 572825622 /nfs/dbraw/zinc/82/56/22/572825622.db2.gz BRPNJUNHNGBHAU-ZCFIWIBFSA-N 0 0 179.194 2.213 10 0 AEAERN CC(C)C[C@H](C)C(=O)OCC(F)F 308141340 572825628 /nfs/dbraw/zinc/82/56/28/572825628.db2.gz ITLHTFLZZJFGEQ-ZETCQYMHSA-N 0 0 194.221 2.477 10 0 AEAERN CO[C@@H]1CCC[C@@H]1[C@@H](C)C[C@@H](C)O 308141110 572825644 /nfs/dbraw/zinc/82/56/44/572825644.db2.gz SYZSWBUTELSDEQ-LNFKQOIKSA-N 0 0 186.295 2.209 10 0 AEAERN CSC[C@H](C)OC(=O)C(C)(C)F 308141030 572825660 /nfs/dbraw/zinc/82/56/60/572825660.db2.gz HIKOGIGAUBASJE-LURJTMIESA-N 0 0 194.271 2.029 10 0 AEAERN C[C@@H]1[NH2+]CCn2c1cc1ccccc12 71478738 572825663 /nfs/dbraw/zinc/82/56/63/572825663.db2.gz DDUINAJMBKHGDT-VIFPVBQESA-N 0 0 186.258 2.306 10 0 AEAERN CC(C)OCSc1ccncc1N 308141266 572825696 /nfs/dbraw/zinc/82/56/96/572825696.db2.gz LKWKZXGCOOEJHS-UHFFFAOYSA-N 0 0 198.291 2.138 10 0 AEAERN CCCCn1ccc([C@@H](C)O)c1 85833767 572825720 /nfs/dbraw/zinc/82/57/20/572825720.db2.gz CAPGIOGGJMESGW-SECBINFHSA-N 0 0 167.252 2.342 10 0 AEAERN CCCn1ccc([C@@H](O)CC)c1 85838674 572825725 /nfs/dbraw/zinc/82/57/25/572825725.db2.gz SWUSXRWJXGFZPY-JTQLQIEISA-N 0 0 167.252 2.342 10 0 AEAERN CO[C@@H]1CCC[C@@H]1[C@H](C)C[C@@H](C)O 308141108 572825726 /nfs/dbraw/zinc/82/57/26/572825726.db2.gz SYZSWBUTELSDEQ-GWOFURMSSA-N 0 0 186.295 2.209 10 0 AEAERN CCc1cccc2c1NCCC2=O 71481806 572825743 /nfs/dbraw/zinc/82/57/43/572825743.db2.gz KDLYMBDFNYMKPF-UHFFFAOYSA-N 0 0 175.231 2.247 10 0 AEAERN Cc1ccc2c(c1)NCC=C2 71479724 572825751 /nfs/dbraw/zinc/82/57/51/572825751.db2.gz JQRMTILWXFKYAG-UHFFFAOYSA-N 0 0 145.205 2.434 10 0 AEAERN O=c1[nH]ccc2cc(Cl)sc12 71482387 572825762 /nfs/dbraw/zinc/82/57/62/572825762.db2.gz GYEBDVKGMWBSSB-UHFFFAOYSA-N 0 0 185.635 2.243 10 0 AEAERN C/C=C(\CC)C(=O)OC1CCC1 307951032 572825786 /nfs/dbraw/zinc/82/57/86/572825786.db2.gz OAXNBYHHWKXHBW-FPYGCLRLSA-N 0 0 168.236 2.438 10 0 AEAERN [NH3+][C@@H]1COCc2ccc(C(F)F)cc21 713761815 572825792 /nfs/dbraw/zinc/82/57/92/572825792.db2.gz YELZULIASQRFGA-SECBINFHSA-N 0 0 199.200 2.154 10 0 AEAERN Cc1csc(N)c1[C@H]([NH3+])C1CC1 713760838 572825825 /nfs/dbraw/zinc/82/58/25/572825825.db2.gz RCPIVCORFXESDB-MRVPVSSYSA-N 0 0 182.292 2.049 10 0 AEAERN CCc1cc2ccccn2c1N 71477145 572825841 /nfs/dbraw/zinc/82/58/41/572825841.db2.gz HSPRTIHGXFWVKM-UHFFFAOYSA-N 0 0 160.220 2.084 10 0 AEAERN Cn1cc(C=O)cc1Cc1ccccc1 75125062 572825859 /nfs/dbraw/zinc/82/58/59/572825859.db2.gz NOJIUVIALYDZIM-UHFFFAOYSA-N 0 0 199.253 2.428 10 0 AEAERN CCCOC(=O)[C@@H]1C[C@H]1C(C)C 307950014 572825957 /nfs/dbraw/zinc/82/59/57/572825957.db2.gz NGCCHRPRHJYOGO-DTWKUNHWSA-N 0 0 170.252 2.232 10 0 AEAERN CC(C)Cc1ccc2c(c1)[C@H]([NH3+])CO2 713761724 572826883 /nfs/dbraw/zinc/82/68/83/572826883.db2.gz XHKVPSWQKHBTQF-LLVKDONJSA-N 0 0 191.274 2.277 10 0 AEAERN Cc1cc2c(cc1C)[C@@H](O)CCN2 71480175 572825985 /nfs/dbraw/zinc/82/59/85/572825985.db2.gz MUOLQUKAWMFWKA-NSHDSACASA-N 0 0 177.247 2.152 10 0 AEAERN CCc1ccc2c(c1)C(=O)[C@H](C)CN2 71481845 572825992 /nfs/dbraw/zinc/82/59/92/572825992.db2.gz QREMDMQGUWEPDG-MRVPVSSYSA-N 0 0 189.258 2.493 10 0 AEAERN c1cc2c3c(c1)NC[C@H]3CC2 71476926 572826013 /nfs/dbraw/zinc/82/60/13/572826013.db2.gz NJYNEJQITAUZFS-MRVPVSSYSA-N 0 0 145.205 2.142 10 0 AEAERN CCCOC[C@@H](O)C1(CCC)CC1 308144468 572826028 /nfs/dbraw/zinc/82/60/28/572826028.db2.gz NCIXWZCZUNMXLE-SNVBAGLBSA-N 0 0 186.295 2.354 10 0 AEAERN O[C@@H]1CCNc2c(Cl)cccc21 71479898 572826033 /nfs/dbraw/zinc/82/60/33/572826033.db2.gz ARWPMVKBANWMIA-MRVPVSSYSA-N 0 0 183.638 2.189 10 0 AEAERN Cc1ccc2c(c1)NC[C@H](C)C2=O 71481829 572826913 /nfs/dbraw/zinc/82/69/13/572826913.db2.gz FDEISDBIBCMYHH-QMMMGPOBSA-N 0 0 175.231 2.239 10 0 AEAERN CCCOC(=O)[C@H]1C[C@H]1C(C)C 307950015 572826052 /nfs/dbraw/zinc/82/60/52/572826052.db2.gz NGCCHRPRHJYOGO-IUCAKERBSA-N 0 0 170.252 2.232 10 0 AEAERN O[C@H]1CCNc2cc(Cl)ccc21 71479945 572826100 /nfs/dbraw/zinc/82/61/00/572826100.db2.gz DYXFKSVMXWZJCZ-VIFPVBQESA-N 0 0 183.638 2.189 10 0 AEAERN Cn1cc(C=O)c(Cc2ccccc2)c1 75125048 572826104 /nfs/dbraw/zinc/82/61/04/572826104.db2.gz ORIVEPPFNCFJRJ-UHFFFAOYSA-N 0 0 199.253 2.428 10 0 AEAERN Cc1ccc2c(c1)N[C@H](C)CC2=O 71481877 572826111 /nfs/dbraw/zinc/82/61/11/572826111.db2.gz DNUHXZCAWDJJKJ-MRVPVSSYSA-N 0 0 175.231 2.382 10 0 AEAERN CCc1cccnc1N(CC)CC 308141120 572826125 /nfs/dbraw/zinc/82/61/25/572826125.db2.gz TUPLNZKVTHEMAV-UHFFFAOYSA-N 0 0 178.279 2.490 10 0 AEAERN Cc1cccc2c1N[C@H](C)CC2=O 71481869 572826152 /nfs/dbraw/zinc/82/61/52/572826152.db2.gz CVYHOMWYLNHGNT-MRVPVSSYSA-N 0 0 175.231 2.382 10 0 AEAERN Cc1ccc2c(c1)C(=O)[C@@H](C)CN2 71481836 572826176 /nfs/dbraw/zinc/82/61/76/572826176.db2.gz AXGJLDDLDPAGQE-QMMMGPOBSA-N 0 0 175.231 2.239 10 0 AEAERN C[NH+](C)[C@@H]1CCNc2c(F)cccc21 71479885 572826180 /nfs/dbraw/zinc/82/61/80/572826180.db2.gz GRECRXYEDTXKHR-SNVBAGLBSA-N 0 0 194.253 2.244 10 0 AEAERN CO[C@@H]1CCC[C@@H]1[C@@H](C)C[C@H](C)O 308141111 572826222 /nfs/dbraw/zinc/82/62/22/572826222.db2.gz SYZSWBUTELSDEQ-UKKRHICBSA-N 0 0 186.295 2.209 10 0 AEAERN c1ccc(CCNn2cccc2)cc1 85829371 572826294 /nfs/dbraw/zinc/82/62/94/572826294.db2.gz SNXRGKKPWZGWFM-UHFFFAOYSA-N 0 0 186.258 2.274 10 0 AEAERN O=c1[nH]ccc2cc3c(cc12)CCC3 71482418 572826314 /nfs/dbraw/zinc/82/63/14/572826314.db2.gz WZHKXJDQSGPBNG-UHFFFAOYSA-N 0 0 185.226 2.017 10 0 AEAERN Cn1ccc(C=O)c1Cc1ccccc1 75125060 572826327 /nfs/dbraw/zinc/82/63/27/572826327.db2.gz SKZIQKGIJUZRTH-UHFFFAOYSA-N 0 0 199.253 2.428 10 0 AEAERN C[C@H]1Cc2c(O)ccc(Cl)c2N1 713762528 572826332 /nfs/dbraw/zinc/82/63/32/572826332.db2.gz RDFDKOAWLVFTRJ-YFKPBYRVSA-N 0 0 183.638 2.402 10 0 AEAERN CCC(CC)CNn1cccc1 85829376 572826393 /nfs/dbraw/zinc/82/63/93/572826393.db2.gz LOTICMBYLBAQCD-UHFFFAOYSA-N 0 0 166.268 2.468 10 0 AEAERN CSC[C@@H](C)OC(=O)C(C)(C)F 308141031 572826384 /nfs/dbraw/zinc/82/63/84/572826384.db2.gz HIKOGIGAUBASJE-ZCFIWIBFSA-N 0 0 194.271 2.029 10 0 AEAERN CCC[C@H](O)c1ccn(COCC)c1 85841647 572826446 /nfs/dbraw/zinc/82/64/46/572826446.db2.gz DVSFDYHJAFMWIB-NSHDSACASA-N 0 0 197.278 2.316 10 0 AEAERN CC(C)SCc1nnc(C2CC2)[nH]1 308141300 572826485 /nfs/dbraw/zinc/82/64/85/572826485.db2.gz IQTJCSYPBSBXSC-UHFFFAOYSA-N 0 0 197.307 2.324 10 0 AEAERN C/C=C\CN(CC(F)F)C1CC1 307950294 572826529 /nfs/dbraw/zinc/82/65/29/572826529.db2.gz NRECSFMHAIMQQV-IHWYPQMZSA-N 0 0 175.222 2.292 10 0 AEAERN CCCC1(c2nncn2CC)CC1 308140827 572826572 /nfs/dbraw/zinc/82/65/72/572826572.db2.gz LCEMEWUVVSYQSD-UHFFFAOYSA-N 0 0 179.267 2.130 10 0 AEAERN CCn1cccc1CNn1cccc1 85828754 572827793 /nfs/dbraw/zinc/82/77/93/572827793.db2.gz QFRRRRWQIATTLY-UHFFFAOYSA-N 0 0 189.262 2.053 10 0 AEAERN Cc1cc(C)c2c(c1)NCC[C@H]2O 71480160 572826636 /nfs/dbraw/zinc/82/66/36/572826636.db2.gz KAJHLIAFTBUHCU-SNVBAGLBSA-N 0 0 177.247 2.152 10 0 AEAERN CO[C@@H]1CCC[C@@H]1[C@H](C)C[C@H](C)O 308141109 572826648 /nfs/dbraw/zinc/82/66/48/572826648.db2.gz SYZSWBUTELSDEQ-LMLFDSFASA-N 0 0 186.295 2.209 10 0 AEAERN Cc1cc(C)c2c(c1)[C@@H](O)CCN2 71480128 572826718 /nfs/dbraw/zinc/82/67/18/572826718.db2.gz OVOKMUZDUQYADN-JTQLQIEISA-N 0 0 177.247 2.152 10 0 AEAERN C[C@@H](CC1CC1)NC(=O)C1CCC1 308141350 572826872 /nfs/dbraw/zinc/82/68/72/572826872.db2.gz IUEVAWNSRCIFET-QMMMGPOBSA-N 0 0 181.279 2.091 10 0 AEAERN CC(C)C[C@@H](C)C(=O)OCC(F)F 308141339 572826904 /nfs/dbraw/zinc/82/69/04/572826904.db2.gz ITLHTFLZZJFGEQ-SSDOTTSWSA-N 0 0 194.221 2.477 10 0 AEAERN O[C@@H]1CCNc2cc(Cl)ccc21 71479946 572826927 /nfs/dbraw/zinc/82/69/27/572826927.db2.gz DYXFKSVMXWZJCZ-SECBINFHSA-N 0 0 183.638 2.189 10 0 AEAERN Cc1cccc2c1NC[C@@H](C)C2=O 71481822 572826932 /nfs/dbraw/zinc/82/69/32/572826932.db2.gz MTJYFQSEZMSCEE-MRVPVSSYSA-N 0 0 175.231 2.239 10 0 AEAERN C[C@@H]1Cc2c(O)ccc(Cl)c2N1 713762527 572826964 /nfs/dbraw/zinc/82/69/64/572826964.db2.gz RDFDKOAWLVFTRJ-RXMQYKEDSA-N 0 0 183.638 2.402 10 0 AEAERN Cc1ccc(O)c2c1N[C@H](C)C2 713762645 572826974 /nfs/dbraw/zinc/82/69/74/572826974.db2.gz SDWXZCYDSIZTOD-SSDOTTSWSA-N 0 0 163.220 2.057 10 0 AEAERN CCc1cc2ccccn2c1C=O 71477139 572826983 /nfs/dbraw/zinc/82/69/83/572826983.db2.gz PDZMWBBMMXTMKF-UHFFFAOYSA-N 0 0 173.215 2.314 10 0 AEAERN Cc1ccc(C)c2c1NCC[C@H]2O 71480143 572827026 /nfs/dbraw/zinc/82/70/26/572827026.db2.gz WPQZZDHLISGISD-SECBINFHSA-N 0 0 177.247 2.152 10 0 AEAERN CCCCCNn1cccc1 85828851 572827074 /nfs/dbraw/zinc/82/70/74/572827074.db2.gz OMPATPOYFYAQCX-UHFFFAOYSA-N 0 0 152.241 2.222 10 0 AEAERN Cc1ccc(C)c2c1NCC[C@@H]2O 71480144 572827162 /nfs/dbraw/zinc/82/71/62/572827162.db2.gz WPQZZDHLISGISD-VIFPVBQESA-N 0 0 177.247 2.152 10 0 AEAERN CC(C)(C)CCNn1cccc1 85829263 572827189 /nfs/dbraw/zinc/82/71/89/572827189.db2.gz FWDBNQBTUVXPDB-UHFFFAOYSA-N 0 0 166.268 2.468 10 0 AEAERN CCOCn1ccc(C(=O)C(C)C)c1 85842793 572827195 /nfs/dbraw/zinc/82/71/95/572827195.db2.gz GTNUYNSSDLYXGF-UHFFFAOYSA-N 0 0 195.262 2.321 10 0 AEAERN Cn1nc(C2CCC2)c(C=O)c1Cl 75124808 572827211 /nfs/dbraw/zinc/82/72/11/572827211.db2.gz TYZRKTDVTAGYQL-UHFFFAOYSA-N 0 0 198.653 2.154 10 0 AEAERN CCC[C@H](O)c1ccn(CC)c1 85841198 572827217 /nfs/dbraw/zinc/82/72/17/572827217.db2.gz HDDCZYXJFUWKSP-JTQLQIEISA-N 0 0 167.252 2.342 10 0 AEAERN CC(C)[C@H](CO)c1ccccc1N 71478697 572827225 /nfs/dbraw/zinc/82/72/25/572827225.db2.gz HEPZZIZGLHFANF-JTQLQIEISA-N 0 0 179.263 2.001 10 0 AEAERN CCCC/C(=C\NC=O)CC 198919293 572827267 /nfs/dbraw/zinc/82/72/67/572827267.db2.gz ONBNYEIXLAADTB-CLFYSBASSA-N 0 0 155.241 2.217 10 0 AEAERN O[C@H](CCC1CC1)c1nccs1 236540701 572827438 /nfs/dbraw/zinc/82/74/38/572827438.db2.gz LDMHOTGRUPUPID-MRVPVSSYSA-N 0 0 183.276 2.367 10 0 AEAERN CCOCn1ccc(C(=O)C2CC2)c1 85844548 572827456 /nfs/dbraw/zinc/82/74/56/572827456.db2.gz GADXFWXDBYMONC-UHFFFAOYSA-N 0 0 193.246 2.075 10 0 AEAERN CC(C)Cc1ccc2c(c1)[C@@H]([NH3+])CO2 713761726 572827458 /nfs/dbraw/zinc/82/74/58/572827458.db2.gz XHKVPSWQKHBTQF-NSHDSACASA-N 0 0 191.274 2.277 10 0 AEAERN c1ccc2c(c1)CC(Nn1cccc1)C2 85828874 572827552 /nfs/dbraw/zinc/82/75/52/572827552.db2.gz DYHPHPWPKDJSJN-UHFFFAOYSA-N 0 0 198.269 2.199 10 0 AEAERN CCCn1ccc([C@H](O)C2CC2)c1 85844657 572827841 /nfs/dbraw/zinc/82/78/41/572827841.db2.gz NARLNISQSMNKIJ-LLVKDONJSA-N 0 0 179.263 2.342 10 0 AEAERN CCC/C=C\C/C=C\CO 198912905 572827574 /nfs/dbraw/zinc/82/75/74/572827574.db2.gz RSERSSPKYOTBJG-UTOQUPLUSA-N 0 0 140.226 2.281 10 0 AEAERN CCC[C@@H](O)c1ccn(CC)c1 85841201 572828088 /nfs/dbraw/zinc/82/80/88/572828088.db2.gz HDDCZYXJFUWKSP-SNVBAGLBSA-N 0 0 167.252 2.342 10 0 AEAERN Cc1cc(-c2ccccc2N)ncn1 71491476 572828180 /nfs/dbraw/zinc/82/81/80/572828180.db2.gz QRMZAOHGOVMBPO-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN C[C@@H]1Cc2cccc(F)c2N1 71484220 572828211 /nfs/dbraw/zinc/82/82/11/572828211.db2.gz DABHOMGEJYKBLT-ZCFIWIBFSA-N 0 0 151.184 2.182 10 0 AEAERN OCC[C@@H]1CNc2c(Cl)cccc21 71486890 572828236 /nfs/dbraw/zinc/82/82/36/572828236.db2.gz JNIGCLCWTLEIPW-SSDOTTSWSA-N 0 0 197.665 2.232 10 0 AEAERN CCOc1ccc2c(c1)C[C@@H](C)N2 71484198 572828616 /nfs/dbraw/zinc/82/86/16/572828616.db2.gz IGJYLTQZHVZPFR-MRVPVSSYSA-N 0 0 177.247 2.442 10 0 AEAERN O=C(CC1CC1)[C@H](O)C1CCCCC1 236532305 572828290 /nfs/dbraw/zinc/82/82/90/572828290.db2.gz YQCBTQPJHZPRNL-GFCCVEGCSA-N 0 0 196.290 2.297 10 0 AEAERN CCOCn1ccc([C@@H](O)C(C)C)c1 85843441 572828334 /nfs/dbraw/zinc/82/83/34/572828334.db2.gz RLLQTQVMXFCICD-NSHDSACASA-N 0 0 197.278 2.172 10 0 AEAERN CC(C)c1cccc2c1NC[C@H]2CO 71486787 572828374 /nfs/dbraw/zinc/82/83/74/572828374.db2.gz FBTCMGNSGWNJIA-VIFPVBQESA-N 0 0 191.274 2.311 10 0 AEAERN Cc1ccc2c(c1)C(=O)C1(CC1)CO2 71489090 572828379 /nfs/dbraw/zinc/82/83/79/572828379.db2.gz HEVMHYDTEABDCZ-UHFFFAOYSA-N 0 0 188.226 2.350 10 0 AEAERN CCCC(=O)c1ccn(COCC)c1 85841086 572828380 /nfs/dbraw/zinc/82/83/80/572828380.db2.gz PITZGBDYHNRMRI-UHFFFAOYSA-N 0 0 195.262 2.465 10 0 AEAERN [NH3+][C@H]1COCc2ccc(C(F)F)cc21 713761820 572828392 /nfs/dbraw/zinc/82/83/92/572828392.db2.gz YELZULIASQRFGA-VIFPVBQESA-N 0 0 199.200 2.154 10 0 AEAERN C/C=C\CSc1n[nH]c(CC)n1 308141519 572828459 /nfs/dbraw/zinc/82/84/59/572828459.db2.gz HRMJHKFGMRGZEI-HYXAFXHYSA-N 0 0 183.280 2.035 10 0 AEAERN C/C=C/CSc1n[nH]c(CC)n1 308141518 572828483 /nfs/dbraw/zinc/82/84/83/572828483.db2.gz HRMJHKFGMRGZEI-HWKANZROSA-N 0 0 183.280 2.035 10 0 AEAERN COC(C)(C)C[C@@H](C)Nn1cccc1 85828858 572828581 /nfs/dbraw/zinc/82/85/81/572828581.db2.gz POQQGBBGIWYDFF-SNVBAGLBSA-N 0 0 196.294 2.235 10 0 AEAERN OCC[C@H]1CNc2cc(Cl)ccc21 71486853 572828645 /nfs/dbraw/zinc/82/86/45/572828645.db2.gz LRLBAEKDRBVQRQ-ZETCQYMHSA-N 0 0 197.665 2.232 10 0 AEAERN CCCn1ccc([C@@H](O)C2CC2)c1 85844660 572828658 /nfs/dbraw/zinc/82/86/58/572828658.db2.gz NARLNISQSMNKIJ-NSHDSACASA-N 0 0 179.263 2.342 10 0 AEAERN COC(C)(C)C[C@H](C)Nn1cccc1 85828856 572828673 /nfs/dbraw/zinc/82/86/73/572828673.db2.gz POQQGBBGIWYDFF-JTQLQIEISA-N 0 0 196.294 2.235 10 0 AEAERN O[C@H](CCCCF)c1cccnc1 308141821 572828880 /nfs/dbraw/zinc/82/88/80/572828880.db2.gz LQTFQISBPZZAAN-SNVBAGLBSA-N 0 0 183.226 2.255 10 0 AEAERN CCc1ccc2[nH]cc(CCO)c2c1 71487231 572828923 /nfs/dbraw/zinc/82/89/23/572828923.db2.gz JMHGZCCCBKYMDX-UHFFFAOYSA-N 0 0 189.258 2.265 10 0 AEAERN CC(C)[C@@H]1CCc2noc(N)c2C1 71485204 572828976 /nfs/dbraw/zinc/82/89/76/572828976.db2.gz NLAZKNUTCFYNHM-SSDOTTSWSA-N 0 0 180.251 2.018 10 0 AEAERN CCc1cccc2c(=O)c(C)c[nH]c12 71489947 572828988 /nfs/dbraw/zinc/82/89/88/572828988.db2.gz PRGIRBSFRBUXSQ-UHFFFAOYSA-N 0 0 187.242 2.399 10 0 AEAERN CCOc1ccc2c(c1)C[C@H](C)N2 71484196 572829000 /nfs/dbraw/zinc/82/90/00/572829000.db2.gz IGJYLTQZHVZPFR-QMMMGPOBSA-N 0 0 177.247 2.442 10 0 AEAERN CCC[C@@H](NN)c1cncc(Cl)c1 307951501 572829041 /nfs/dbraw/zinc/82/90/41/572829041.db2.gz LHFLIKLHKXSVPB-SECBINFHSA-N 0 0 199.685 2.040 10 0 AEAERN OCC[C@@H]1CNc2cc(Cl)ccc21 71486856 572829047 /nfs/dbraw/zinc/82/90/47/572829047.db2.gz LRLBAEKDRBVQRQ-SSDOTTSWSA-N 0 0 197.665 2.232 10 0 AEAERN CCC[C@@H](O)c1ccn(COCC)c1 85841654 572829049 /nfs/dbraw/zinc/82/90/49/572829049.db2.gz DVSFDYHJAFMWIB-LLVKDONJSA-N 0 0 197.278 2.316 10 0 AEAERN CCc1ccc(CNn2cccc2)o1 85828952 572829063 /nfs/dbraw/zinc/82/90/63/572829063.db2.gz SNWYRAGXYZFZAN-UHFFFAOYSA-N 0 0 190.246 2.387 10 0 AEAERN OCC[C@@H]1CNc2ccc(Cl)cc21 71486838 572829083 /nfs/dbraw/zinc/82/90/83/572829083.db2.gz JNQIDCUGFQKWRI-SSDOTTSWSA-N 0 0 197.665 2.232 10 0 AEAERN Cc1c[nH]c2c(Cl)cccc2c1=O 71489931 572829106 /nfs/dbraw/zinc/82/91/06/572829106.db2.gz XQYCXQYQWRTTGE-UHFFFAOYSA-N 0 0 193.633 2.490 10 0 AEAERN CC(C)c1ccc2c(c1)[C@@H](CO)CN2 71486744 572829307 /nfs/dbraw/zinc/82/93/07/572829307.db2.gz VSEBCJNJWKNNRC-SNVBAGLBSA-N 0 0 191.274 2.311 10 0 AEAERN CC(C)[C@H]1CCc2noc(N)c2C1 71485206 572829325 /nfs/dbraw/zinc/82/93/25/572829325.db2.gz NLAZKNUTCFYNHM-ZETCQYMHSA-N 0 0 180.251 2.018 10 0 AEAERN Cc1ccc2c(c1)C(=O)C1(CC1)CN2 71489967 572829329 /nfs/dbraw/zinc/82/93/29/572829329.db2.gz JMEVWKQSKIPQGV-UHFFFAOYSA-N 0 0 187.242 2.383 10 0 AEAERN CCc1ccc2[nH]cc(C)c(=O)c2c1 71489948 572829467 /nfs/dbraw/zinc/82/94/67/572829467.db2.gz INAGYTWGHKYUED-UHFFFAOYSA-N 0 0 187.242 2.399 10 0 AEAERN C[C@H](C1CCC1)N(C)C(=O)C1CC1 308142002 572829470 /nfs/dbraw/zinc/82/94/70/572829470.db2.gz JGEQJCBXEWTPSR-MRVPVSSYSA-N 0 0 181.279 2.043 10 0 AEAERN Cc1c[nH]c2ccc(Cl)cc2c1=O 71489943 572829477 /nfs/dbraw/zinc/82/94/77/572829477.db2.gz MACAWKNPJAPRSP-UHFFFAOYSA-N 0 0 193.633 2.490 10 0 AEAERN Cc1cccc2c1N[C@H](C)C2 71484208 572829499 /nfs/dbraw/zinc/82/94/99/572829499.db2.gz FSMHDCBTHQGJDD-MRVPVSSYSA-N 0 0 147.221 2.352 10 0 AEAERN Cc1[nH]c2c(c1CN(C)O)CCCC2 214773943 572829527 /nfs/dbraw/zinc/82/95/27/572829527.db2.gz SVBXKYRPNWYQAB-UHFFFAOYSA-N 0 0 194.278 2.023 10 0 AEAERN CCC[C@H](NN)c1cncc(Cl)c1 307951504 572829546 /nfs/dbraw/zinc/82/95/46/572829546.db2.gz LHFLIKLHKXSVPB-VIFPVBQESA-N 0 0 199.685 2.040 10 0 AEAERN CCS[C@H]1CCCC[C@@]1(C)O 199008154 572829590 /nfs/dbraw/zinc/82/95/90/572829590.db2.gz XURNEXOMZOAWCP-DTWKUNHWSA-N 0 0 174.309 2.433 10 0 AEAERN O[C@@H](C1CCCCC1)[C@H](O)CC1CC1 236556483 572829650 /nfs/dbraw/zinc/82/96/50/572829650.db2.gz RYIBHEIMICMDHZ-NEPJUHHUSA-N 0 0 198.306 2.089 10 0 AEAERN CCCCC/C(=C/C1CC1)C(N)=O 118254982 572829680 /nfs/dbraw/zinc/82/96/80/572829680.db2.gz YLIIWWBXNQNHEE-NTMALXAHSA-N 0 0 181.279 2.388 10 0 AEAERN CCc1ccc2c(c1)[C@@H](CCO)CN2 71486824 572829770 /nfs/dbraw/zinc/82/97/70/572829770.db2.gz OOGUYEIDLKSEET-JTQLQIEISA-N 0 0 191.274 2.141 10 0 AEAERN CC(C)COc1ccc(C=O)o1 85873761 572829934 /nfs/dbraw/zinc/82/99/34/572829934.db2.gz ZQIRTOVYJDHWQF-UHFFFAOYSA-N 0 0 168.192 2.127 10 0 AEAERN Cc1cccc2c1OCC1(CC1)C2=O 71489105 572829945 /nfs/dbraw/zinc/82/99/45/572829945.db2.gz SLYXGKYAXGUWSR-UHFFFAOYSA-N 0 0 188.226 2.350 10 0 AEAERN Cn1c2ccccc2c2ccoc(=O)c21 238570204 572829981 /nfs/dbraw/zinc/82/99/81/572829981.db2.gz ZCMDPEIPVQNJER-UHFFFAOYSA-N 0 0 199.209 2.285 10 0 AEAERN Cc1cc(-c2ccc(N)cc2)ncn1 71491479 572830002 /nfs/dbraw/zinc/83/00/02/572830002.db2.gz CWOVMECEZDYPJY-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN O[C@H](CCC1CC1)C1(O)CCCCC1 236539547 572830056 /nfs/dbraw/zinc/83/00/56/572830056.db2.gz LNCQFOANNZOPIT-LLVKDONJSA-N 0 0 198.306 2.233 10 0 AEAERN C[C@H]1Cc2cccc(F)c2N1 71484222 572830057 /nfs/dbraw/zinc/83/00/57/572830057.db2.gz DABHOMGEJYKBLT-LURJTMIESA-N 0 0 151.184 2.182 10 0 AEAERN CCc1ccc2c(c1)[C@H](CCO)CN2 71486821 572830231 /nfs/dbraw/zinc/83/02/31/572830231.db2.gz OOGUYEIDLKSEET-SNVBAGLBSA-N 0 0 191.274 2.141 10 0 AEAERN Cn1c2ccccc2c2ccc(N)nc21 238570151 572830179 /nfs/dbraw/zinc/83/01/79/572830179.db2.gz WFKIJTCAEBBSFF-UHFFFAOYSA-N 0 0 197.241 2.309 10 0 AEAERN C[C@@H](O)/C=C\SC(C)(C)C 199046022 572830252 /nfs/dbraw/zinc/83/02/52/572830252.db2.gz DYKMBCBFWKRLGB-KXTMECRCSA-N 0 0 160.282 2.413 10 0 AEAERN CC(C)c1cccc2c1NC[C@@H]2CO 71486785 572830256 /nfs/dbraw/zinc/83/02/56/572830256.db2.gz FBTCMGNSGWNJIA-SECBINFHSA-N 0 0 191.274 2.311 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MZCDLBIIWZZBIW-UHFFFAOYSA-N 0 0 191.255 2.480 10 0 AEAERN C[C@H]1CCN2c3ccccc3NC[C@H]12 299891185 572835041 /nfs/dbraw/zinc/83/50/41/572835041.db2.gz JLOXQDOEPSPVTF-JOYOIKCWSA-N 0 0 188.274 2.327 10 0 AEAERN CO[C@H]1CCCC[C@]1(O)C(C)(C)C 234868187 572835100 /nfs/dbraw/zinc/83/51/00/572835100.db2.gz LPTHORPIHWCHAO-GXSJLCMTSA-N 0 0 186.295 2.353 10 0 AEAERN CCc1c(C)nn2c(C)cc(C)nc12 71475641 572835154 /nfs/dbraw/zinc/83/51/54/572835154.db2.gz UVBJOKRFZIBASX-UHFFFAOYSA-N 0 0 189.262 2.217 10 0 AEAERN O=Cc1cc(Cc2cnco2)cs1 75393025 572835200 /nfs/dbraw/zinc/83/52/00/572835200.db2.gz DJZSIUSOBHMAEZ-UHFFFAOYSA-N 0 0 193.227 2.139 10 0 AEAERN Nc1cc(C(=O)C(F)(F)F)cs1 75387421 572835217 /nfs/dbraw/zinc/83/52/17/572835217.db2.gz DCPCFWQZSDETQZ-UHFFFAOYSA-N 0 0 195.165 2.075 10 0 AEAERN CC(C)CC(=O)O[C@@H]1C=CCC1 307954994 572835225 /nfs/dbraw/zinc/83/52/25/572835225.db2.gz DSPWBPFSTBHMHM-SECBINFHSA-N 0 0 168.236 2.294 10 0 AEAERN CC[C@H](C)CS/C=C\C(=O)OC 307954159 572835333 /nfs/dbraw/zinc/83/53/33/572835333.db2.gz YVBVKNSRNWFWEC-SLGIHZDVSA-N 0 0 188.292 2.452 10 0 AEAERN O=Cc1sccc1Cc1cnco1 75393121 572835688 /nfs/dbraw/zinc/83/56/88/572835688.db2.gz ATZJTRRNRRFPBZ-UHFFFAOYSA-N 0 0 193.227 2.139 10 0 AEAERN Cc1cc2c(c(C)c1O)N[C@H](C)C2 713763926 572835347 /nfs/dbraw/zinc/83/53/47/572835347.db2.gz VYDXPPAOMFNVKE-SSDOTTSWSA-N 0 0 177.247 2.366 10 0 AEAERN O=C(CCSC(F)F)OC1CC1 308143027 572835369 /nfs/dbraw/zinc/83/53/69/572835369.db2.gz IIVNGAFUEBNJCY-UHFFFAOYSA-N 0 0 196.218 2.038 10 0 AEAERN Nc1ccc(C(=O)c2ccco2)s1 75387296 572835377 /nfs/dbraw/zinc/83/53/77/572835377.db2.gz CFSATGSXIVVTTN-UHFFFAOYSA-N 0 0 193.227 2.154 10 0 AEAERN Cc1cc(N)c2c(C)csc2n1 75393314 572835406 /nfs/dbraw/zinc/83/54/06/572835406.db2.gz QOZIAKGSVVXLNQ-UHFFFAOYSA-N 0 0 178.260 2.495 10 0 AEAERN CO[C@H]1CCCC[C@]1(O)C=C(C)C 234869827 572835692 /nfs/dbraw/zinc/83/56/92/572835692.db2.gz AMARUOZSRWHDIC-QWRGUYRKSA-N 0 0 184.279 2.273 10 0 AEAERN Oc1cccc(OCOCC2CC2)c1 236568638 572835416 /nfs/dbraw/zinc/83/54/16/572835416.db2.gz ILJJGYXZNGAVBH-UHFFFAOYSA-N 0 0 194.230 2.155 10 0 AEAERN O=Cc1ccc(Cc2cnoc2)s1 75386994 572835422 /nfs/dbraw/zinc/83/54/22/572835422.db2.gz CJLKGKDIZUCTQB-UHFFFAOYSA-N 0 0 193.227 2.139 10 0 AEAERN CC(F)(F)[C@H](O)CCCC(F)F 687932287 572835428 /nfs/dbraw/zinc/83/54/28/572835428.db2.gz IKRFKQYLKIVOIT-RXMQYKEDSA-N 0 0 188.164 2.438 10 0 AEAERN CCN(C(N)=S)c1ccc(C)cc1 49987183 572835480 /nfs/dbraw/zinc/83/54/80/572835480.db2.gz NGYRNWPVDNUZRP-UHFFFAOYSA-N 0 0 194.303 2.065 10 0 AEAERN O=Cc1ccc(Cc2cnco2)s1 75387094 572835684 /nfs/dbraw/zinc/83/56/84/572835684.db2.gz MEHGKAZGBNDTDZ-UHFFFAOYSA-N 0 0 193.227 2.139 10 0 AEAERN C[C@@H](F)CCOC(=O)C1CC=CC1 308143626 572835622 /nfs/dbraw/zinc/83/56/22/572835622.db2.gz AFDJRAQSFXOZMJ-MRVPVSSYSA-N 0 0 186.226 2.244 10 0 AEAERN CO[C@H]1CCCC[C@]1(O)CC(C)C 234869913 572835899 /nfs/dbraw/zinc/83/58/99/572835899.db2.gz ZFXNVNNACCSTCF-QWRGUYRKSA-N 0 0 186.295 2.353 10 0 AEAERN CCCCC(=O)O[C@@H](C)COCC 118435515 572835944 /nfs/dbraw/zinc/83/59/44/572835944.db2.gz XATSGNRDRDAOQK-VIFPVBQESA-N 0 0 188.267 2.145 10 0 AEAERN CCCOC(=O)N[C@@H](C)C(C)C 307956363 572835962 /nfs/dbraw/zinc/83/59/62/572835962.db2.gz FWHWWCILUHOELM-QMMMGPOBSA-N 0 0 173.256 2.167 10 0 AEAERN O=Cc1sccc1Cc1cnoc1 75393092 572835969 /nfs/dbraw/zinc/83/59/69/572835969.db2.gz YRBIYKWNRJUAEF-UHFFFAOYSA-N 0 0 193.227 2.139 10 0 AEAERN Cc1cccc(OCCCCON)c1 77252475 572835996 /nfs/dbraw/zinc/83/59/96/572835996.db2.gz QEGKVJOZKONQPR-UHFFFAOYSA-N 0 0 195.262 2.044 10 0 AEAERN CCC1([C@H](O)Cc2cncs2)CC1 308143496 572836024 /nfs/dbraw/zinc/83/60/24/572836024.db2.gz MQRQHWCJUHBGFR-SECBINFHSA-N 0 0 197.303 2.237 10 0 AEAERN Cc1cc2c(c(C)c1O)N[C@@H](C)C2 713763927 572836647 /nfs/dbraw/zinc/83/66/47/572836647.db2.gz VYDXPPAOMFNVKE-ZETCQYMHSA-N 0 0 177.247 2.366 10 0 AEAERN CC(C)=C(C)C(=O)OCC1CC1 307957054 572836137 /nfs/dbraw/zinc/83/61/37/572836137.db2.gz GOJUXURYJGRDTC-UHFFFAOYSA-N 0 0 168.236 2.296 10 0 AEAERN CC(=O)c1sc2cnc(C)n2c1C 75386694 572836168 /nfs/dbraw/zinc/83/61/68/572836168.db2.gz GOCDFJDFSAUWTH-UHFFFAOYSA-N 0 0 194.259 2.215 10 0 AEAERN CCc1ccc(C(O)=S)cc1 118455353 572836184 /nfs/dbraw/zinc/83/61/84/572836184.db2.gz JEXSDFXSTLQFSZ-UHFFFAOYSA-N 0 0 166.245 2.483 10 0 AEAERN CC(=O)c1cc2ccc3[nH]cnc3c2[nH]1 75393361 572836219 /nfs/dbraw/zinc/83/62/19/572836219.db2.gz CETRURZCKFWVPI-UHFFFAOYSA-N 0 0 199.213 2.247 10 0 AEAERN Oc1ccccc1OCOCC1CC1 236572526 572837529 /nfs/dbraw/zinc/83/75/29/572837529.db2.gz JRWKFMHPALUSJC-UHFFFAOYSA-N 0 0 194.230 2.155 10 0 AEAERN C/C=C/CNc1ccc(OC)nc1 234869593 572836320 /nfs/dbraw/zinc/83/63/20/572836320.db2.gz YBMWEEVMXUIHMK-ONEGZZNKSA-N 0 0 178.235 2.078 10 0 AEAERN Nc1cc(C(=O)c2ccco2)cs1 75387459 572836346 /nfs/dbraw/zinc/83/63/46/572836346.db2.gz UZHQKNIFRJTARF-UHFFFAOYSA-N 0 0 193.227 2.154 10 0 AEAERN O=Cc1sccc1Cc1ncco1 75393103 572836352 /nfs/dbraw/zinc/83/63/52/572836352.db2.gz RWSSCQYSCIDXQM-UHFFFAOYSA-N 0 0 193.227 2.139 10 0 AEAERN O[C@H](CC1CC1)[C@H](O)C1CCCCC1 236556617 572836388 /nfs/dbraw/zinc/83/63/88/572836388.db2.gz RYIBHEIMICMDHZ-VXGBXAGGSA-N 0 0 198.306 2.089 10 0 AEAERN CC(C)C(=O)c1csc(N)c1 75387424 572836393 /nfs/dbraw/zinc/83/63/93/572836393.db2.gz FKQRHHVIERIBHC-UHFFFAOYSA-N 0 0 169.249 2.169 10 0 AEAERN COC(=O)/C=C\C=C\CC(C)C 199113190 572836430 /nfs/dbraw/zinc/83/64/30/572836430.db2.gz OUDFXWRKKAJFTP-LMJRQTCTSA-N 0 0 168.236 2.318 10 0 AEAERN Cc1ccc(-c2coc(CN)n2)cc1 71500158 572836439 /nfs/dbraw/zinc/83/64/39/572836439.db2.gz GAUNKAUAJAKTQU-UHFFFAOYSA-N 0 0 188.230 2.109 10 0 AEAERN CC(C)C(=O)c1ccc(N)s1 75387272 572836518 /nfs/dbraw/zinc/83/65/18/572836518.db2.gz JHSKFHKSYTVEHI-UHFFFAOYSA-N 0 0 169.249 2.169 10 0 AEAERN CCCCC(=O)O[C@H](C)COCC 118435518 572836640 /nfs/dbraw/zinc/83/66/40/572836640.db2.gz XATSGNRDRDAOQK-SECBINFHSA-N 0 0 188.267 2.145 10 0 AEAERN O=Cc1ccc(Cc2cc[nH]c2)s1 75386953 572836661 /nfs/dbraw/zinc/83/66/61/572836661.db2.gz IFZJMUVMPQLPRU-UHFFFAOYSA-N 0 0 191.255 2.480 10 0 AEAERN CC(=O)c1[nH]c2c(C)cccc2c1O 75394012 572836699 /nfs/dbraw/zinc/83/66/99/572836699.db2.gz RHKBDQFOVKINMY-UHFFFAOYSA-N 0 0 189.214 2.385 10 0 AEAERN Nc1n[nH]c2cc(-c3ccc[nH]3)ccc12 238586580 572836931 /nfs/dbraw/zinc/83/69/31/572836931.db2.gz ADGNSVCWBPFCDW-UHFFFAOYSA-N 0 0 198.229 2.140 10 0 AEAERN COc1cc(C)c(N)c2c1SCC2 75397134 572837098 /nfs/dbraw/zinc/83/70/98/572837098.db2.gz IENQPQCCYBRWGX-UHFFFAOYSA-N 0 0 195.287 2.234 10 0 AEAERN Cc1cccc(=O)n1CCC(C)C 71505692 572837100 /nfs/dbraw/zinc/83/71/00/572837100.db2.gz QQUYENZILZQPEN-UHFFFAOYSA-N 0 0 179.263 2.203 10 0 AEAERN Nc1n[nH]c2cc(-c3ccco3)ccc12 238586622 572837120 /nfs/dbraw/zinc/83/71/20/572837120.db2.gz XKBXQHLWDLHFBZ-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN CSCc1noc(CC(C)C)n1 308143585 572837122 /nfs/dbraw/zinc/83/71/22/572837122.db2.gz IVIYFMLGCREGBZ-UHFFFAOYSA-N 0 0 186.280 2.131 10 0 AEAERN COCc1cc2sc(C=O)cc2[nH]1 75395163 572837153 /nfs/dbraw/zinc/83/71/53/572837153.db2.gz VRFJWDGICUAPBR-UHFFFAOYSA-N 0 0 195.243 2.188 10 0 AEAERN CC(=O)Cc1cc2scc(C)n2c1 75396033 572837252 /nfs/dbraw/zinc/83/72/52/572837252.db2.gz AGONOCDCUKGYHS-UHFFFAOYSA-N 0 0 193.271 2.441 10 0 AEAERN Cc1ccc(OCCCCON)cc1 77252476 572837395 /nfs/dbraw/zinc/83/73/95/572837395.db2.gz CWORJRRXKALSJT-UHFFFAOYSA-N 0 0 195.262 2.044 10 0 AEAERN CC(C)COC(=O)C=C1CCC1 307956107 572837404 /nfs/dbraw/zinc/83/74/04/572837404.db2.gz FSSFHITXRQRIMO-UHFFFAOYSA-N 0 0 168.236 2.296 10 0 AEAERN C[C@@H]1CC[C@@H](C)[C@]2(CCC(=O)NC2)C1 299896360 572837419 /nfs/dbraw/zinc/83/74/19/572837419.db2.gz JMCUWBDUTMSDRJ-CKYFFXLPSA-N 0 0 195.306 2.339 10 0 AEAERN Cc1cc2scc(C)n2c1N 75395864 572837627 /nfs/dbraw/zinc/83/76/27/572837627.db2.gz QXVIACHGWRBBFX-UHFFFAOYSA-N 0 0 166.249 2.200 10 0 AEAERN COC(C)(C)c1ccc(CO)cc1 118559397 572837714 /nfs/dbraw/zinc/83/77/14/572837714.db2.gz GEGZMCHLTBGPPW-UHFFFAOYSA-N 0 0 180.247 2.060 10 0 AEAERN CCCCOc1ccc(C)nc1CO 85973831 572837734 /nfs/dbraw/zinc/83/77/34/572837734.db2.gz IJNNBDSBMZBJKY-UHFFFAOYSA-N 0 0 195.262 2.061 10 0 AEAERN C/C=C1\CCCCC[C@H]1O 23705653 572837905 /nfs/dbraw/zinc/83/79/05/572837905.db2.gz AFPGFRDDTAANKM-YPNJUMGQSA-N 0 0 140.226 2.258 10 0 AEAERN CCCOC(=O)N[C@H](C)C(C)C 307956362 572838125 /nfs/dbraw/zinc/83/81/25/572838125.db2.gz FWHWWCILUHOELM-MRVPVSSYSA-N 0 0 173.256 2.167 10 0 AEAERN CC(=O)c1[nH]nc(-c2ccco2)c1C 75394444 572838471 /nfs/dbraw/zinc/83/84/71/572838471.db2.gz JWCXKBNNAHPWOM-UHFFFAOYSA-N 0 0 190.202 2.181 10 0 AEAERN CC(=O)c1n[nH]c(C)c1C(C)(C)C 75394380 572838674 /nfs/dbraw/zinc/83/86/74/572838674.db2.gz VVOXXCDIQKKFCD-UHFFFAOYSA-N 0 0 180.251 2.218 10 0 AEAERN CC[C@H](C)Oc1ccc(C)nc1CO 85974012 572838711 /nfs/dbraw/zinc/83/87/11/572838711.db2.gz ZNFJOSCDYGGUAJ-VIFPVBQESA-N 0 0 195.262 2.060 10 0 AEAERN CCc1cccc2c1N[C@@H](C)C[C@H]2O 71481398 572838720 /nfs/dbraw/zinc/83/87/20/572838720.db2.gz OZYSLLOJEYDEJO-GZMMTYOYSA-N 0 0 191.274 2.487 10 0 AEAERN CC(=O)c1c(C(C)(C)C)cc(N)n1C 75393485 572838760 /nfs/dbraw/zinc/83/87/60/572838760.db2.gz HUUSIQFBVFPDCO-UHFFFAOYSA-N 0 0 194.278 2.107 10 0 AEAERN C[C@@H]1CC[C@]2(CCC(=O)NC2)[C@H](C)C1 299896428 572838774 /nfs/dbraw/zinc/83/87/74/572838774.db2.gz LGPQOXUHUCPENE-CKYFFXLPSA-N 0 0 195.306 2.339 10 0 AEAERN C[C@H]1CC[C@@H](C)C[C@@]12CCC(=O)NC2 299896361 572838792 /nfs/dbraw/zinc/83/87/92/572838792.db2.gz JMCUWBDUTMSDRJ-JFGNBEQYSA-N 0 0 195.306 2.339 10 0 AEAERN CC[C@@H](C)Oc1ccc(C)nc1CO 85974009 572838887 /nfs/dbraw/zinc/83/88/87/572838887.db2.gz ZNFJOSCDYGGUAJ-SECBINFHSA-N 0 0 195.262 2.060 10 0 AEAERN Nc1c(F)ccc2c1CCS2 75397124 572838916 /nfs/dbraw/zinc/83/89/16/572838916.db2.gz FBCGNBGATIVSRR-UHFFFAOYSA-N 0 0 169.224 2.056 10 0 AEAERN CC(=O)c1cc2ccsc2n1C 75393460 572838924 /nfs/dbraw/zinc/83/89/24/572838924.db2.gz QOXBNQVYKPOUDI-UHFFFAOYSA-N 0 0 179.244 2.442 10 0 AEAERN C[C@@H](O)C/C=C/C[C@@H](O)C(C)(C)C 308148567 572838956 /nfs/dbraw/zinc/83/89/56/572838956.db2.gz FOGGFJZQZVSEPS-GMCFVEKCSA-N 0 0 186.295 2.111 10 0 AEAERN Cc1cc(C)c([C@@H](O)CCO)cc1C 71506794 572839031 /nfs/dbraw/zinc/83/90/31/572839031.db2.gz KYRWNFKGDBSAKB-LBPRGKRZSA-N 0 0 194.274 2.028 10 0 AEAERN Cc1cc(C)c(C(=O)CCO)cc1C 71506118 572840138 /nfs/dbraw/zinc/84/01/38/572840138.db2.gz IZINIWIPZVAFDD-UHFFFAOYSA-N 0 0 192.258 2.177 10 0 AEAERN Cc1cc(C)c(C)c(C(=O)CN)c1C 71505908 572839065 /nfs/dbraw/zinc/83/90/65/572839065.db2.gz CCZXSDZVJWJUMK-UHFFFAOYSA-N 0 0 191.274 2.062 10 0 AEAERN CC(=O)c1n[nH]c(C(C)C)c1C 75394386 572839350 /nfs/dbraw/zinc/83/93/50/572839350.db2.gz KDPFKSYJCQMWHB-UHFFFAOYSA-N 0 0 166.224 2.044 10 0 AEAERN CC(C)(F)C(=O)OCc1ccco1 308148546 572839409 /nfs/dbraw/zinc/83/94/09/572839409.db2.gz NBLRDBVSAXHWAK-UHFFFAOYSA-N 0 0 186.182 2.071 10 0 AEAERN C/C=C1\CCCCC[C@@H]1O 23705650 572839493 /nfs/dbraw/zinc/83/94/93/572839493.db2.gz AFPGFRDDTAANKM-WWQRDVDESA-N 0 0 140.226 2.258 10 0 AEAERN Cc1cccc2c1NC[C@H](C)[C@@H]2O 71480271 572839519 /nfs/dbraw/zinc/83/95/19/572839519.db2.gz NRIRFPQILVWAMS-KWQFWETISA-N 0 0 177.247 2.090 10 0 AEAERN Cc1cc(C)c([C@H](O)CCO)c(C)c1 71506789 572839568 /nfs/dbraw/zinc/83/95/68/572839568.db2.gz DONSQGFLLOTEFF-LLVKDONJSA-N 0 0 194.274 2.028 10 0 AEAERN CCCCOc1ccccc1NN 77254151 572839873 /nfs/dbraw/zinc/83/98/73/572839873.db2.gz MWPCHRAYORFJOW-UHFFFAOYSA-N 0 0 180.251 2.151 10 0 AEAERN Cc1c(N)ccc2c1CCS2 75397115 572839906 /nfs/dbraw/zinc/83/99/06/572839906.db2.gz BDQMTODSKWSOGX-UHFFFAOYSA-N 0 0 165.261 2.225 10 0 AEAERN Nc1ccc2c(c1F)CCS2 75397119 572839950 /nfs/dbraw/zinc/83/99/50/572839950.db2.gz IWLLUDXXFVSGHN-UHFFFAOYSA-N 0 0 169.224 2.056 10 0 AEAERN CC(=O)c1c(C(F)(F)F)ccn1C 75393484 572839987 /nfs/dbraw/zinc/83/99/87/572839987.db2.gz OSMCYSDNVJHALV-UHFFFAOYSA-N 0 0 191.152 2.247 10 0 AEAERN CCC[C@@H](C)c1ocnc1CO 85942269 572840030 /nfs/dbraw/zinc/84/00/30/572840030.db2.gz SJXVTLKFDNFAPM-SSDOTTSWSA-N 0 0 169.224 2.071 10 0 AEAERN O=C1Nc2ccccc2/C1=C/C1CC1 118468349 572840116 /nfs/dbraw/zinc/84/01/16/572840116.db2.gz BFASHYMHKCBYDK-YFHOEESVSA-N 0 0 185.226 2.432 10 0 AEAERN CS/C=C/C(=O)N[C@H](C)C(C)C 308149024 572840172 /nfs/dbraw/zinc/84/01/72/572840172.db2.gz LUNTUBNDIKYNBR-HQZHTGGTSA-N 0 0 187.308 2.024 10 0 AEAERN C[C@@H](CC1CC1)NC(=O)C1=CCC1 308148851 572840218 /nfs/dbraw/zinc/84/02/18/572840218.db2.gz NIMDWTOABPLFJO-QMMMGPOBSA-N 0 0 179.263 2.011 10 0 AEAERN C/C=C/CS(=O)(=O)C(CC)CC 307957261 572840229 /nfs/dbraw/zinc/84/02/29/572840229.db2.gz RYCDVYDWXZKHLC-QPJJXVBHSA-N 0 0 190.308 2.166 10 0 AEAERN CC[C@H](O)CSc1cccc(N)c1 85927502 572840233 /nfs/dbraw/zinc/84/02/33/572840233.db2.gz GNDVMRCCRCGTDE-VIFPVBQESA-N 0 0 197.303 2.132 10 0 AEAERN Cc1nc(-c2cccs2)[nH]c1C=O 71506087 572840309 /nfs/dbraw/zinc/84/03/09/572840309.db2.gz BUQPTYYJFXZVDN-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN CCCCc1ocnc1CNC1CC1 85941417 572840370 /nfs/dbraw/zinc/84/03/70/572840370.db2.gz CPFRWPUESCYKDV-UHFFFAOYSA-N 0 0 194.278 2.269 10 0 AEAERN CC(C)(F)COC(=O)CC1CC1 307958048 572840395 /nfs/dbraw/zinc/84/03/95/572840395.db2.gz HSLNQBXJZMFJQN-UHFFFAOYSA-N 0 0 174.215 2.078 10 0 AEAERN CC1(C)CN[C@@H](c2ccccc2F)O1 71507008 572840464 /nfs/dbraw/zinc/84/04/64/572840464.db2.gz YREWTUSWMOQWGO-SNVBAGLBSA-N 0 0 195.237 2.223 10 0 AEAERN OCc1ncoc1CCC1CCCC1 85942313 572840470 /nfs/dbraw/zinc/84/04/70/572840470.db2.gz MZZLSDCZMRDCHY-UHFFFAOYSA-N 0 0 195.262 2.290 10 0 AEAERN Cc1cc(C)c(C(=O)CCO)c(C)c1 71506104 572840471 /nfs/dbraw/zinc/84/04/71/572840471.db2.gz XMIYZKOKUGVDIY-UHFFFAOYSA-N 0 0 192.258 2.177 10 0 AEAERN CCN(CC)c1c(C(C)=O)noc1C 75397800 572840530 /nfs/dbraw/zinc/84/05/30/572840530.db2.gz WSRRHSJDGXBVJP-UHFFFAOYSA-N 0 0 196.250 2.032 10 0 AEAERN CC(C)(C)CCCn1occc1=O 308148833 572840532 /nfs/dbraw/zinc/84/05/32/572840532.db2.gz NHICJBLLQMIXSO-UHFFFAOYSA-N 0 0 183.251 2.268 10 0 AEAERN CC(C)CCOc1cccc(NN)c1 77254154 572840544 /nfs/dbraw/zinc/84/05/44/572840544.db2.gz VDOAUDIYLPEELS-UHFFFAOYSA-N 0 0 194.278 2.397 10 0 AEAERN COC[C@@H](C)Sc1cccc(N)c1 85927238 572840549 /nfs/dbraw/zinc/84/05/49/572840549.db2.gz FLDWGMPNAOQQHV-MRVPVSSYSA-N 0 0 197.303 2.396 10 0 AEAERN CCC[C@@H]1Nc2ccsc2NC1=O 75409750 572840569 /nfs/dbraw/zinc/84/05/69/572840569.db2.gz ZPVISHFQWVUULE-LURJTMIESA-N 0 0 196.275 2.281 10 0 AEAERN C[C@H]1NCc2nc(C3CCCC3)oc21 75405502 572840572 /nfs/dbraw/zinc/84/05/72/572840572.db2.gz VOVJPVLCBLMPJG-SSDOTTSWSA-N 0 0 192.262 2.496 10 0 AEAERN CC(=O)c1cc(-c2nccs2)no1 75405336 572840591 /nfs/dbraw/zinc/84/05/91/572840591.db2.gz AKTNEKODTWJBKT-UHFFFAOYSA-N 0 0 194.215 2.001 10 0 AEAERN CC(C)Cc1nc2c(o1)[C@@H](C)NC2 75405496 572840620 /nfs/dbraw/zinc/84/06/20/572840620.db2.gz AHFQTDBLHLAUSZ-SSDOTTSWSA-N 0 0 180.251 2.037 10 0 AEAERN Cc1nc(N)c(-c2ccncc2)s1 75404780 572840642 /nfs/dbraw/zinc/84/06/42/572840642.db2.gz PNZHKGXKEVBFOW-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN C[C@H]1NCc2nc(-c3ccco3)oc21 75405546 572840662 /nfs/dbraw/zinc/84/06/62/572840662.db2.gz GREZTVKOVVJKJJ-ZCFIWIBFSA-N 0 0 190.202 2.099 10 0 AEAERN O=Cc1occc1Cc1ccco1 75410426 572840724 /nfs/dbraw/zinc/84/07/24/572840724.db2.gz PBTMTXWFZCASOY-UHFFFAOYSA-N 0 0 176.171 2.276 10 0 AEAERN C[C@H](Cc1ocnc1CO)C(C)(C)C 85942799 572840728 /nfs/dbraw/zinc/84/07/28/572840728.db2.gz ICNQJTRIVMWVNK-MRVPVSSYSA-N 0 0 197.278 2.392 10 0 AEAERN CS/C=C/C(=O)N[C@@H](C)C(C)C 308149022 572840734 /nfs/dbraw/zinc/84/07/34/572840734.db2.gz LUNTUBNDIKYNBR-GJIOHYHPSA-N 0 0 187.308 2.024 10 0 AEAERN C/C=C\CS(=O)(=O)C(CC)CC 307957260 572840780 /nfs/dbraw/zinc/84/07/80/572840780.db2.gz RYCDVYDWXZKHLC-DAXSKMNVSA-N 0 0 190.308 2.166 10 0 AEAERN CS/C=C\C(=O)N[C@@H](C)C(C)C 308149027 572840825 /nfs/dbraw/zinc/84/08/25/572840825.db2.gz LUNTUBNDIKYNBR-SLGIHZDVSA-N 0 0 187.308 2.024 10 0 AEAERN CCn1[nH]c(=O)c2cc(Cl)ccc21 118511601 572840844 /nfs/dbraw/zinc/84/08/44/572840844.db2.gz CCBBPBNOIBEVNI-UHFFFAOYSA-N 0 0 196.637 2.003 10 0 AEAERN Nc1cccc(SCCCCO)c1 85927976 572840853 /nfs/dbraw/zinc/84/08/53/572840853.db2.gz ISDQJWUZXFGHRK-UHFFFAOYSA-N 0 0 197.303 2.133 10 0 AEAERN Cc1cccc(SCCCO)c1N 85936967 572840903 /nfs/dbraw/zinc/84/09/03/572840903.db2.gz DSTBBAMWVUYKJF-UHFFFAOYSA-N 0 0 197.303 2.052 10 0 AEAERN CCCc1ccc([C@H](O)CCO)cc1 71506783 572840904 /nfs/dbraw/zinc/84/09/04/572840904.db2.gz IBDXVGRODSDOFY-GFCCVEGCSA-N 0 0 194.274 2.055 10 0 AEAERN COC(=N)CCc1ccc(OC)cc1 71506312 572840993 /nfs/dbraw/zinc/84/09/93/572840993.db2.gz RXFVKVQXBQMFHH-UHFFFAOYSA-N 0 0 193.246 2.251 10 0 AEAERN CN(N)Cc1ccc(C(C)(C)C)cc1 71506222 572841007 /nfs/dbraw/zinc/84/10/07/572841007.db2.gz AVHJFGWHLYAGND-UHFFFAOYSA-N 0 0 192.306 2.290 10 0 AEAERN CC(C)CCOc1ccc(NN)cc1 77254156 572841009 /nfs/dbraw/zinc/84/10/09/572841009.db2.gz SKJZTYKDBPHMKA-UHFFFAOYSA-N 0 0 194.278 2.397 10 0 AEAERN Nc1nc(C2CC2)sc1C1CC1 75404444 572841110 /nfs/dbraw/zinc/84/11/10/572841110.db2.gz ANZRLKSKIDYNER-UHFFFAOYSA-N 0 0 180.276 2.480 10 0 AEAERN CC(C)(F)COC(=O)C1CCC1 307957799 572841169 /nfs/dbraw/zinc/84/11/69/572841169.db2.gz HLZYISDSHSDNRK-UHFFFAOYSA-N 0 0 174.215 2.078 10 0 AEAERN CC(C)CCS(=O)(=O)CC(C)C 307958081 572841196 /nfs/dbraw/zinc/84/11/96/572841196.db2.gz HUYRZIRTRSAKQZ-UHFFFAOYSA-N 0 0 192.324 2.103 10 0 AEAERN CC1(C)CN[C@H](c2ccccc2F)O1 71507007 572841207 /nfs/dbraw/zinc/84/12/07/572841207.db2.gz YREWTUSWMOQWGO-JTQLQIEISA-N 0 0 195.237 2.223 10 0 AEAERN Cc1cc(C)c([C@H](O)CCO)cc1C 71506793 572841263 /nfs/dbraw/zinc/84/12/63/572841263.db2.gz KYRWNFKGDBSAKB-GFCCVEGCSA-N 0 0 194.274 2.028 10 0 AEAERN CC(=O)c1cc(-c2ccoc2C)no1 75405311 572841311 /nfs/dbraw/zinc/84/13/11/572841311.db2.gz QKCFIHMAFNSUJL-UHFFFAOYSA-N 0 0 191.186 2.446 10 0 AEAERN O=Cc1occc1CC(F)(F)F 75410353 572841345 /nfs/dbraw/zinc/84/13/45/572841345.db2.gz IUFCRVIIOGJGGL-UHFFFAOYSA-N 0 0 178.109 2.197 10 0 AEAERN O=Cc1nc(-c2ccc(Cl)o2)c[nH]1 75408128 572841477 /nfs/dbraw/zinc/84/14/77/572841477.db2.gz CBXCXDSTQVJRBL-UHFFFAOYSA-N 0 0 196.593 2.136 10 0 AEAERN CCCCC/C=C\[C@H](C)[C@H](O)CO 308148556 572841485 /nfs/dbraw/zinc/84/14/85/572841485.db2.gz FMKMBXLSJUPXHE-MYEMAUTDSA-N 0 0 186.295 2.112 10 0 AEAERN CCCc1ccoc1C=O 75410354 572841549 /nfs/dbraw/zinc/84/15/49/572841549.db2.gz WCTDTHSIUKSSMV-UHFFFAOYSA-N 0 0 138.166 2.045 10 0 AEAERN C[C@H]1C[C@@H]1c1ocnc1CNC1CC1 85941442 572841552 /nfs/dbraw/zinc/84/15/52/572841552.db2.gz ACPSORAUUZQSJK-CBAPKCEASA-N 0 0 192.262 2.050 10 0 AEAERN C[C@@H]1NCc2nc(-c3ccco3)oc21 75405547 572841553 /nfs/dbraw/zinc/84/15/53/572841553.db2.gz GREZTVKOVVJKJJ-LURJTMIESA-N 0 0 190.202 2.099 10 0 AEAERN CC(C)c1ocnc1CNC1CC1 85941484 572841559 /nfs/dbraw/zinc/84/15/59/572841559.db2.gz AYQJBLPCUYGUBA-UHFFFAOYSA-N 0 0 180.251 2.050 10 0 AEAERN Cc1cc(-c2c[nH]c(C=O)n2)c(C)o1 75408130 572841583 /nfs/dbraw/zinc/84/15/83/572841583.db2.gz MQPMVFFJLPCCHE-UHFFFAOYSA-N 0 0 190.202 2.099 10 0 AEAERN C[C@H]1NCc2nc(C(C)(C)C)oc21 75405486 572841588 /nfs/dbraw/zinc/84/15/88/572841588.db2.gz ZRUAXNALEHQISD-ZCFIWIBFSA-N 0 0 180.251 2.136 10 0 AEAERN CC(C)CCOc1ccccc1NN 77254152 572841603 /nfs/dbraw/zinc/84/16/03/572841603.db2.gz VBABHTHRMHFKNW-UHFFFAOYSA-N 0 0 194.278 2.397 10 0 AEAERN Cc1cc(CCCCON)ccc1F 71507530 572841659 /nfs/dbraw/zinc/84/16/59/572841659.db2.gz VEOSLNHUSXJULK-UHFFFAOYSA-N 0 0 197.253 2.347 10 0 AEAERN CC(=O)c1cc(-c2cscn2)no1 75405341 572841781 /nfs/dbraw/zinc/84/17/81/572841781.db2.gz ALIHFKDQHBPMSN-UHFFFAOYSA-N 0 0 194.215 2.001 10 0 AEAERN c1nc(CNC2CC2)c(C2CCC2)o1 85941497 572841876 /nfs/dbraw/zinc/84/18/76/572841876.db2.gz ALGMTGLCFGSTIO-UHFFFAOYSA-N 0 0 192.262 2.194 10 0 AEAERN CC[C@@H](O)CSc1cccc(N)c1 85927509 572841895 /nfs/dbraw/zinc/84/18/95/572841895.db2.gz GNDVMRCCRCGTDE-SECBINFHSA-N 0 0 197.303 2.132 10 0 AEAERN Cc1cc(C)c([C@@H](O)CCO)c(C)c1 71506790 572841930 /nfs/dbraw/zinc/84/19/30/572841930.db2.gz DONSQGFLLOTEFF-NSHDSACASA-N 0 0 194.274 2.028 10 0 AEAERN CC(=O)c1onc(C)c1C1CC1 75404850 572841974 /nfs/dbraw/zinc/84/19/74/572841974.db2.gz ZBFWUOPIEGUAMD-UHFFFAOYSA-N 0 0 165.192 2.063 10 0 AEAERN CC(=O)c1onc(C(C)C)c1C 75404891 572842011 /nfs/dbraw/zinc/84/20/11/572842011.db2.gz CQKDFZMLJHZCHO-UHFFFAOYSA-N 0 0 167.208 2.309 10 0 AEAERN CC[C@H](C)c1ocnc1CNC1CC1 85941593 572842109 /nfs/dbraw/zinc/84/21/09/572842109.db2.gz AAXCUMZSAKUBJT-QMMMGPOBSA-N 0 0 194.278 2.440 10 0 AEAERN CCC(C)(C)OC(=O)[C@@H]1C[C@H]1C 307958668 572842622 /nfs/dbraw/zinc/84/26/22/572842622.db2.gz UCRHOKSLRRVDIF-HTQZYQBOSA-N 0 0 170.252 2.374 10 0 AEAERN CCC[C@H](C)c1ocnc1CO 85942272 572842212 /nfs/dbraw/zinc/84/22/12/572842212.db2.gz SJXVTLKFDNFAPM-ZETCQYMHSA-N 0 0 169.224 2.071 10 0 AEAERN CC(C)Cc1ocnc1CNC1CC1 85941556 572842265 /nfs/dbraw/zinc/84/22/65/572842265.db2.gz OJXPXRSSTPHICB-UHFFFAOYSA-N 0 0 194.278 2.125 10 0 AEAERN Nc1c[nH]c(-c2c[nH]c3ccccc23)n1 75408636 572842322 /nfs/dbraw/zinc/84/23/22/572842322.db2.gz YEPCNNQAZUKHQP-UHFFFAOYSA-N 0 0 198.229 2.140 10 0 AEAERN CC(C)COC(=O)C1CC(C)C1 307958778 572842414 /nfs/dbraw/zinc/84/24/14/572842414.db2.gz IJYMBJSVUIZGIU-UHFFFAOYSA-N 0 0 170.252 2.232 10 0 AEAERN CC(=C1CC1)/C(C)=C(/C)OCCO 308149243 572842423 /nfs/dbraw/zinc/84/24/23/572842423.db2.gz FXHCFVGVNKRJMZ-NTMALXAHSA-N 0 0 182.263 2.400 10 0 AEAERN C[C@@H]1NCc2nc(C(C)(C)C)oc21 75405487 572842427 /nfs/dbraw/zinc/84/24/27/572842427.db2.gz ZRUAXNALEHQISD-LURJTMIESA-N 0 0 180.251 2.136 10 0 AEAERN CCCC1([C@@H](CC2CC2)NN)CC1 308150227 572842432 /nfs/dbraw/zinc/84/24/32/572842432.db2.gz QHWAULLQMBYIAP-SNVBAGLBSA-N 0 0 182.311 2.199 10 0 AEAERN CCOCCSc1cccc(N)c1 85927566 572842451 /nfs/dbraw/zinc/84/24/51/572842451.db2.gz OLXCTYVEJLVXLJ-UHFFFAOYSA-N 0 0 197.303 2.397 10 0 AEAERN C/C=C\[C@H](O)c1ccc(OC)cc1 308149772 572842459 /nfs/dbraw/zinc/84/24/59/572842459.db2.gz GKUAMJWECJHCFI-BYCRGOAPSA-N 0 0 178.231 2.305 10 0 AEAERN COC[C@H](C)Sc1cccc(N)c1 85927235 572842481 /nfs/dbraw/zinc/84/24/81/572842481.db2.gz FLDWGMPNAOQQHV-QMMMGPOBSA-N 0 0 197.303 2.396 10 0 AEAERN Cc1ccc(N)c(SCCCO)c1 85930603 572842506 /nfs/dbraw/zinc/84/25/06/572842506.db2.gz FRSAZUFMCFMLIO-UHFFFAOYSA-N 0 0 197.303 2.052 10 0 AEAERN CC(=O)c1noc(C(C)C)c1N(C)C 75397822 572842526 /nfs/dbraw/zinc/84/25/26/572842526.db2.gz NIEKRAODTGGIEC-UHFFFAOYSA-N 0 0 196.250 2.067 10 0 AEAERN CCCn1cc(N)c([C@H](C)CC)n1 308150842 572842558 /nfs/dbraw/zinc/84/25/58/572842558.db2.gz QVFZQUAPMZKWPD-MRVPVSSYSA-N 0 0 181.283 2.389 10 0 AEAERN CC(C)(C)c1ocnc1CNC1CC1 85941485 572842567 /nfs/dbraw/zinc/84/25/67/572842567.db2.gz KCKSKUJEPLYACO-UHFFFAOYSA-N 0 0 194.278 2.224 10 0 AEAERN CCc1[nH]c(-c2cccs2)nc1N 75409686 572842600 /nfs/dbraw/zinc/84/26/00/572842600.db2.gz ZBRQYHNQSVTGCZ-UHFFFAOYSA-N 0 0 193.275 2.283 10 0 AEAERN CC(=O)c1cc(CC(C)(C)C)no1 75405229 572842618 /nfs/dbraw/zinc/84/26/18/572842618.db2.gz ORUIPDLOLRSJFD-UHFFFAOYSA-N 0 0 181.235 2.466 10 0 AEAERN CC(=O)c1onc(-c2ccco2)c1C 75405012 572842663 /nfs/dbraw/zinc/84/26/63/572842663.db2.gz SXYOKJWDJCIBKT-UHFFFAOYSA-N 0 0 191.186 2.446 10 0 AEAERN CCCC/C=C\[C@H](O)[C@H]1CCCO1 308150077 572842709 /nfs/dbraw/zinc/84/27/09/572842709.db2.gz HGOSJSISUOEBKP-OJTYSEKASA-N 0 0 184.279 2.273 10 0 AEAERN CC(C)Cc1nc2c(o1)[C@H](C)NC2 75405497 572842725 /nfs/dbraw/zinc/84/27/25/572842725.db2.gz AHFQTDBLHLAUSZ-ZETCQYMHSA-N 0 0 180.251 2.037 10 0 AEAERN COCCSc1cccc(C)c1N 85936832 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/nfs/dbraw/zinc/85/53/90/572855390.db2.gz HLSSTJJEWGGURK-UHFFFAOYSA-N 0 0 179.219 2.235 10 0 AEAERN CC(C)CCNC1(C(F)F)CC1 307961838 572855419 /nfs/dbraw/zinc/85/54/19/572855419.db2.gz XQSSTCCHXFPBHX-UHFFFAOYSA-N 0 0 177.238 2.420 10 0 AEAERN CCCC/C=C\C[C@@H](O)[C@@H](C)CO 308147647 572855452 /nfs/dbraw/zinc/85/54/52/572855452.db2.gz DRAHOYCWWNPWHK-QIAMSNJGSA-N 0 0 186.295 2.112 10 0 AEAERN CCCc1cc(C=O)co1 75480214 572855461 /nfs/dbraw/zinc/85/54/61/572855461.db2.gz GROBGSJZQYSMQM-UHFFFAOYSA-N 0 0 138.166 2.045 10 0 AEAERN Cc1cccc(-c2nc(C)ncc2N)c1 75462644 572855485 /nfs/dbraw/zinc/85/54/85/572855485.db2.gz RBBWJZLZLRCFAU-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CC(C)(C)Cc1cc(N)c[nH]1 75453992 572856945 /nfs/dbraw/zinc/85/69/45/572856945.db2.gz ZMOUOULXHIEKNG-UHFFFAOYSA-N 0 0 152.241 2.186 10 0 AEAERN CC(C)SCc1cccc(CO)n1 308146848 572855516 /nfs/dbraw/zinc/85/55/16/572855516.db2.gz ZOLSJVLEEUBFFF-UHFFFAOYSA-N 0 0 197.303 2.216 10 0 AEAERN CC(C)C(=O)CC[C@H](O)C(C)(C)C 308147131 572855531 /nfs/dbraw/zinc/85/55/31/572855531.db2.gz OTDZEYSSMPLOSP-JTQLQIEISA-N 0 0 186.295 2.399 10 0 AEAERN Cc1cccc(Cc2cc(N)c[nH]2)c1 75454032 572855541 /nfs/dbraw/zinc/85/55/41/572855541.db2.gz ATGSUAVHYMMVKJ-UHFFFAOYSA-N 0 0 186.258 2.496 10 0 AEAERN O=Cc1csc(Cc2ccc[nH]2)c1 75461013 572855553 /nfs/dbraw/zinc/85/55/53/572855553.db2.gz BVKPUHOFQAURDA-UHFFFAOYSA-N 0 0 191.255 2.480 10 0 AEAERN CC[C@H](C)C[C@@H](CCCCF)NN 308146982 572855571 /nfs/dbraw/zinc/85/55/71/572855571.db2.gz ORTFSCRBVPGNOA-VHSXEESVSA-N 0 0 190.306 2.394 10 0 AEAERN COc1cc(F)c2c(c1)C[C@H](C)N2 713770193 572855601 /nfs/dbraw/zinc/85/56/01/572855601.db2.gz GCMGAULKQIYSCG-LURJTMIESA-N 0 0 181.210 2.191 10 0 AEAERN C[C@H](F)CCSc1nccn1C 307961854 572855616 /nfs/dbraw/zinc/85/56/16/572855616.db2.gz XRRURYZWVTYOIL-ZETCQYMHSA-N 0 0 188.271 2.260 10 0 AEAERN CCc1nc(-c2ccccc2)ncc1N 75461622 572855628 /nfs/dbraw/zinc/85/56/28/572855628.db2.gz OPXWZTFQSWEQCR-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN CCCn1c(C(C)=O)cnc1CC 75516134 572855649 /nfs/dbraw/zinc/85/56/49/572855649.db2.gz CENDOIKZHJHTNW-UHFFFAOYSA-N 0 0 180.251 2.058 10 0 AEAERN Cc1ncc(N)c(-c2cccs2)n1 75463201 572855670 /nfs/dbraw/zinc/85/56/70/572855670.db2.gz OJFZIUZHAAMLDW-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN CCc1ccc(SC)n1C 75469245 572855714 /nfs/dbraw/zinc/85/57/14/572855714.db2.gz BKIIOJPPLIDQRK-UHFFFAOYSA-N 0 0 155.266 2.309 10 0 AEAERN CC(C)(C)COC(=O)c1cscn1 308147073 572855718 /nfs/dbraw/zinc/85/57/18/572855718.db2.gz MHYTUIXEYIOMPU-UHFFFAOYSA-N 0 0 199.275 2.346 10 0 AEAERN C[C@@H](CO)CC[C@H]1CCOC1(C)C 308147663 572855723 /nfs/dbraw/zinc/85/57/23/572855723.db2.gz DSDRBDZARIQEPN-ZJUUUORDSA-N 0 0 186.295 2.210 10 0 AEAERN CCn1cc(CO)c2c(C)cccc21 118610053 572855755 /nfs/dbraw/zinc/85/57/55/572855755.db2.gz PWIMYFHIIBIRSK-UHFFFAOYSA-N 0 0 189.258 2.462 10 0 AEAERN CSc1[nH]c(CC2CC2)cc1N 75479114 572855807 /nfs/dbraw/zinc/85/58/07/572855807.db2.gz MPRSGDWBRWUULD-UHFFFAOYSA-N 0 0 182.292 2.271 10 0 AEAERN CC(C)(C)/C=C\C(=O)N1CCCC1 308146547 572855824 /nfs/dbraw/zinc/85/58/24/572855824.db2.gz LXZYYECALSBVRD-SREVYHEPSA-N 0 0 181.279 2.211 10 0 AEAERN CCC(=O)c1cc2cnc(C)nc2o1 75480449 572855830 /nfs/dbraw/zinc/85/58/30/572855830.db2.gz TWPCHPQRWJIMFN-UHFFFAOYSA-N 0 0 190.202 2.124 10 0 AEAERN Nc1c[nH]c(Cc2cccs2)c1 75454067 572855846 /nfs/dbraw/zinc/85/58/46/572855846.db2.gz NJWNKSGUCBKXKG-UHFFFAOYSA-N 0 0 178.260 2.249 10 0 AEAERN Nc1c[nH]c(Cc2ccccc2F)c1 75454040 572855849 /nfs/dbraw/zinc/85/58/49/572855849.db2.gz UPTOUKCJTGPVMS-UHFFFAOYSA-N 0 0 190.221 2.327 10 0 AEAERN O=Cc1coc(Cc2ccco2)c1 75480282 572855898 /nfs/dbraw/zinc/85/58/98/572855898.db2.gz YXVCQWGLDFOIIH-UHFFFAOYSA-N 0 0 176.171 2.276 10 0 AEAERN CCCCSCC(=O)OCCF 307961407 572855919 /nfs/dbraw/zinc/85/59/19/572855919.db2.gz XHPJYCJRVDKONS-UHFFFAOYSA-N 0 0 194.271 2.032 10 0 AEAERN CC(=O)c1cncn1-c1ccccc1 75517172 572855952 /nfs/dbraw/zinc/85/59/52/572855952.db2.gz DWEKUINSYHGEKL-UHFFFAOYSA-N 0 0 186.214 2.075 10 0 AEAERN Nc1c[nH]c(Cc2cccc(F)c2)c1 75454059 572855966 /nfs/dbraw/zinc/85/59/66/572855966.db2.gz YINQDIZMAYHTLD-UHFFFAOYSA-N 0 0 190.221 2.327 10 0 AEAERN CCCC[C@H](O)[C@@H](F)CC[C@H](C)O 308147563 572855982 /nfs/dbraw/zinc/85/59/82/572855982.db2.gz DPGREJFOMPMVML-GUBZILKMSA-N 0 0 192.274 2.037 10 0 AEAERN CC(C)COC(=O)C[C@@H]1C[C@@H]1C 307962229 572856006 /nfs/dbraw/zinc/85/60/06/572856006.db2.gz MYLCKXMUFMGPTM-IUCAKERBSA-N 0 0 170.252 2.232 10 0 AEAERN CS/C=C\C(=O)OCC(C)(C)C 308146839 572856026 /nfs/dbraw/zinc/85/60/26/572856026.db2.gz KQJIHFAYLDOOKX-WAYWQWQTSA-N 0 0 188.292 2.452 10 0 AEAERN Nc1csc(C(=O)c2ccco2)c1 75468291 572856027 /nfs/dbraw/zinc/85/60/27/572856027.db2.gz DHBIDACALBNOBZ-UHFFFAOYSA-N 0 0 193.227 2.154 10 0 AEAERN CC(=O)c1cc(C)sc1N(C)C 75464710 572856073 /nfs/dbraw/zinc/85/60/73/572856073.db2.gz CKIDNTPZGFYLAD-UHFFFAOYSA-N 0 0 183.276 2.325 10 0 AEAERN CC(C)C(=O)CC[C@@H](O)C(C)(C)C 308147133 572856150 /nfs/dbraw/zinc/85/61/50/572856150.db2.gz OTDZEYSSMPLOSP-SNVBAGLBSA-N 0 0 186.295 2.399 10 0 AEAERN O=Cc1coc(Cc2ccncc2)c1 75480301 572856131 /nfs/dbraw/zinc/85/61/31/572856131.db2.gz YRZFSYRRQYYDTL-UHFFFAOYSA-N 0 0 187.198 2.078 10 0 AEAERN Nc1coc(C(=O)c2ccccc2)c1 75479640 572856137 /nfs/dbraw/zinc/85/61/37/572856137.db2.gz XSGVHNGTRMDMFR-UHFFFAOYSA-N 0 0 187.198 2.093 10 0 AEAERN CC(C)CC(=O)OC[C@@H]1C[C@@H]1C 307961582 572856153 /nfs/dbraw/zinc/85/61/53/572856153.db2.gz MBBZRBMZWYPHCZ-IUCAKERBSA-N 0 0 170.252 2.232 10 0 AEAERN O=Cc1coc(Cc2ccccn2)c1 75480298 572856170 /nfs/dbraw/zinc/85/61/70/572856170.db2.gz RPSHMAUDGVQZRI-UHFFFAOYSA-N 0 0 187.198 2.078 10 0 AEAERN C[C@@H](F)CCSc1nccn1C 307961853 572856194 /nfs/dbraw/zinc/85/61/94/572856194.db2.gz XRRURYZWVTYOIL-SSDOTTSWSA-N 0 0 188.271 2.260 10 0 AEAERN CCCC[C@H](C)[C@H](O)C1=COCC1 308146759 572856216 /nfs/dbraw/zinc/85/62/16/572856216.db2.gz ZFRFWLTXRGDZKW-ONGXEEELSA-N 0 0 184.279 2.478 10 0 AEAERN CC(C)CC(=O)OC[C@H]1C[C@H]1C 307961583 572856229 /nfs/dbraw/zinc/85/62/29/572856229.db2.gz MBBZRBMZWYPHCZ-RKDXNWHRSA-N 0 0 170.252 2.232 10 0 AEAERN COc1cc(F)c2c(c1)C[C@@H](C)N2 713770195 572856237 /nfs/dbraw/zinc/85/62/37/572856237.db2.gz GCMGAULKQIYSCG-ZCFIWIBFSA-N 0 0 181.210 2.191 10 0 AEAERN CC[C@@H](C)C[C@H](CCCCF)NN 308146983 572856301 /nfs/dbraw/zinc/85/63/01/572856301.db2.gz ORTFSCRBVPGNOA-ZJUUUORDSA-N 0 0 190.306 2.394 10 0 AEAERN C[C@H]1NCc2nc(C3CC3)sc21 75463897 572856322 /nfs/dbraw/zinc/85/63/22/572856322.db2.gz QCZSBYMZCQZQCL-RXMQYKEDSA-N 0 0 180.276 2.185 10 0 AEAERN c1coc(CSCC2COC2)c1 307962107 572856344 /nfs/dbraw/zinc/85/63/44/572856344.db2.gz MWBPNOCKIBZCOO-UHFFFAOYSA-N 0 0 184.260 2.159 10 0 AEAERN CC(=O)c1cncn1-c1cccs1 75517467 572856950 /nfs/dbraw/zinc/85/69/50/572856950.db2.gz QMAYHDNHNQTVOY-UHFFFAOYSA-N 0 0 192.243 2.136 10 0 AEAERN Cc1ccc(-c2ncncc2N)cc1C 75462908 572856411 /nfs/dbraw/zinc/85/64/11/572856411.db2.gz BJSKFUIVLJNSCB-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN O=Cc1c[nH]c(CCc2ccco2)c1 75454435 572856456 /nfs/dbraw/zinc/85/64/56/572856456.db2.gz QAJDLEBEIXMMCI-UHFFFAOYSA-N 0 0 189.214 2.205 10 0 AEAERN Nc1c[nH]c(Cc2ccccc2)c1 75454016 572856459 /nfs/dbraw/zinc/85/64/59/572856459.db2.gz GJWUGOKPMYMTFP-UHFFFAOYSA-N 0 0 172.231 2.188 10 0 AEAERN CC(C)(C)C(=O)c1cc(N)co1 75479616 572856463 /nfs/dbraw/zinc/85/64/63/572856463.db2.gz XZDLNNCZOSZDIM-UHFFFAOYSA-N 0 0 167.208 2.091 10 0 AEAERN Nc1c[nH]c(CCc2cccs2)c1 75460753 572856481 /nfs/dbraw/zinc/85/64/81/572856481.db2.gz CGCRIXNTYCJFAM-UHFFFAOYSA-N 0 0 192.287 2.444 10 0 AEAERN Cc1ccc(C)c(-c2ncncc2N)c1 75462949 572856397 /nfs/dbraw/zinc/85/63/97/572856397.db2.gz BZDNSMIGYRIBQA-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN O[C@@H](CCCCF)[C@H]1CCCCO1 308147258 572856398 /nfs/dbraw/zinc/85/63/98/572856398.db2.gz OWVHBPADZHQNHN-VHSXEESVSA-N 0 0 190.258 2.056 10 0 AEAERN CC(C)/C=C\C(=O)N[C@@H]1CC1(C)C 308147628 572856493 /nfs/dbraw/zinc/85/64/93/572856493.db2.gz MOUQIIKGCJDYBH-SSJHQANKSA-N 0 0 181.279 2.113 10 0 AEAERN CCC1([C@H](CCC2CC2)NN)CC1 308146529 572856513 /nfs/dbraw/zinc/85/65/13/572856513.db2.gz OLDDJWXRHRGWCW-JTQLQIEISA-N 0 0 182.311 2.199 10 0 AEAERN Cc1nc(-c2ccc(N)n2C)cs1 257584312 572856538 /nfs/dbraw/zinc/85/65/38/572856538.db2.gz FOOKOODLJRCNIC-UHFFFAOYSA-N 0 0 193.275 2.039 10 0 AEAERN CC[C@H](C)n1cncc1C(C)=O 75516938 572856623 /nfs/dbraw/zinc/85/66/23/572856623.db2.gz JEDVUUACUJTTEF-ZETCQYMHSA-N 0 0 166.224 2.057 10 0 AEAERN CC[C@@H](C)n1c(C(C)=O)cnc1C 75516684 572856642 /nfs/dbraw/zinc/85/66/42/572856642.db2.gz ZZQUOIIYVRNARV-SSDOTTSWSA-N 0 0 180.251 2.365 10 0 AEAERN CC[C@@H](C)C[C@@H](CCCCF)NN 308146980 572856651 /nfs/dbraw/zinc/85/66/51/572856651.db2.gz ORTFSCRBVPGNOA-NXEZZACHSA-N 0 0 190.306 2.394 10 0 AEAERN CCCS(=O)(=O)CCCC(C)C 118601726 572856667 /nfs/dbraw/zinc/85/66/67/572856667.db2.gz OEHYJKKOBQBMQW-UHFFFAOYSA-N 0 0 192.324 2.247 10 0 AEAERN CC(C)c1nc2c(s1)[C@@H](C)NC2 75463889 572857063 /nfs/dbraw/zinc/85/70/63/572857063.db2.gz ASEBOYYOVRBGQS-ZCFIWIBFSA-N 0 0 182.292 2.431 10 0 AEAERN CC(C)CCc1cc(N)c[nH]1 75460697 572856710 /nfs/dbraw/zinc/85/67/10/572856710.db2.gz OAHLRCDZSIYYNV-UHFFFAOYSA-N 0 0 152.241 2.186 10 0 AEAERN C[C@H](F)CCOc1ccccn1 307962572 572856743 /nfs/dbraw/zinc/85/67/43/572856743.db2.gz YHRVJNIDXCIIFT-QMMMGPOBSA-N 0 0 169.199 2.209 10 0 AEAERN CC[C@H](C)n1c(C(C)=O)cnc1C 75516687 572856766 /nfs/dbraw/zinc/85/67/66/572856766.db2.gz ZZQUOIIYVRNARV-ZETCQYMHSA-N 0 0 180.251 2.365 10 0 AEAERN CCc1ncc(N)c(C2CCCC2)n1 75462185 572856796 /nfs/dbraw/zinc/85/67/96/572856796.db2.gz VTEUXOOAPSLOCB-UHFFFAOYSA-N 0 0 191.278 2.279 10 0 AEAERN CCCc1cc(N)c(SC)n1C 75479187 572856861 /nfs/dbraw/zinc/85/68/61/572856861.db2.gz HJJIZZUYXCLVMG-UHFFFAOYSA-N 0 0 184.308 2.282 10 0 AEAERN O=Cc1coc(Cc2cccnc2)c1 75480290 572857004 /nfs/dbraw/zinc/85/70/04/572857004.db2.gz MHKNMNKMZVPREZ-UHFFFAOYSA-N 0 0 187.198 2.078 10 0 AEAERN Nc1c[nH]c(Cc2ccc(F)cc2)c1 75454042 572857103 /nfs/dbraw/zinc/85/71/03/572857103.db2.gz HQRDIODCZVFASK-UHFFFAOYSA-N 0 0 190.221 2.327 10 0 AEAERN Nc1c[nH]c(C(=O)C2CCCCC2)c1 75453866 572857126 /nfs/dbraw/zinc/85/71/26/572857126.db2.gz XMTCBQYUWMIMFX-UHFFFAOYSA-N 0 0 192.262 2.360 10 0 AEAERN Cc1ccc(-c2ncncc2N)c(C)c1 75463018 572857131 /nfs/dbraw/zinc/85/71/31/572857131.db2.gz OSBQCRQJYPOWFX-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CC(C)CC(=O)c1cc(N)co1 75479622 572857160 /nfs/dbraw/zinc/85/71/60/572857160.db2.gz GVUSYTKHDBYIAA-UHFFFAOYSA-N 0 0 167.208 2.091 10 0 AEAERN Cc1ccc(-c2ncc(N)c(C)n2)cc1 75461370 572857163 /nfs/dbraw/zinc/85/71/63/572857163.db2.gz AQHNKAVZKIPCTA-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1cccc(-c2ncncc2N)c1 75462701 572857198 /nfs/dbraw/zinc/85/71/98/572857198.db2.gz GWCOSXDKEXCEIN-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CC(C)CC[C@]1(C)CC[C@H](CO)O1 308146749 572857239 /nfs/dbraw/zinc/85/72/39/572857239.db2.gz ZFOPPBWVXDASNM-GHMZBOCLSA-N 0 0 186.295 2.353 10 0 AEAERN O=Cc1ccc(Cc2ccc[nH]2)s1 75460888 572857273 /nfs/dbraw/zinc/85/72/73/572857273.db2.gz ISKIJPAUATXGPC-UHFFFAOYSA-N 0 0 191.255 2.480 10 0 AEAERN C[C@@H]1NCc2nc(C3CC3)sc21 75463901 572857287 /nfs/dbraw/zinc/85/72/87/572857287.db2.gz QCZSBYMZCQZQCL-YFKPBYRVSA-N 0 0 180.276 2.185 10 0 AEAERN CCCC[C@H](O)[C@H](F)CC[C@H](C)O 308147551 572857307 /nfs/dbraw/zinc/85/73/07/572857307.db2.gz DPGREJFOMPMVML-AEJSXWLSSA-N 0 0 192.274 2.037 10 0 AEAERN CSc1c(N)cc(CC2CC2)n1C 75479193 572857314 /nfs/dbraw/zinc/85/73/14/572857314.db2.gz IJAIKUHOSGTUGJ-UHFFFAOYSA-N 0 0 196.319 2.282 10 0 AEAERN CCCC[C@@H](C)[C@H](O)C1=COCC1 308146757 572857317 /nfs/dbraw/zinc/85/73/17/572857317.db2.gz ZFRFWLTXRGDZKW-KOLCDFICSA-N 0 0 184.279 2.478 10 0 AEAERN O[C@@H](CCCCF)[C@@H]1CCCCO1 308147254 572857327 /nfs/dbraw/zinc/85/73/27/572857327.db2.gz OWVHBPADZHQNHN-UWVGGRQHSA-N 0 0 190.258 2.056 10 0 AEAERN CCCn1c(C(C)=O)cnc1C1CC1 75516168 572857336 /nfs/dbraw/zinc/85/73/36/572857336.db2.gz COPJKCSJUHUZCA-UHFFFAOYSA-N 0 0 192.262 2.373 10 0 AEAERN Nc1c[nH]c(CC2CCCC2)c1 75454011 572857358 /nfs/dbraw/zinc/85/73/58/572857358.db2.gz QEJBTTHHWGFNKZ-UHFFFAOYSA-N 0 0 164.252 2.330 10 0 AEAERN 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GROAWUHEPIXFIZ-UHFFFAOYSA-N 0 0 192.262 2.208 10 0 AEAERN Cc1sc(N)cc1N1CCCC1 75548923 572861996 /nfs/dbraw/zinc/86/19/96/572861996.db2.gz YBGIQQHACHBXQO-UHFFFAOYSA-N 0 0 182.292 2.239 10 0 AEAERN CCc1c(C)cnc2c1c(N)cn2C 75585708 572862032 /nfs/dbraw/zinc/86/20/32/572862032.db2.gz WYXSENFFDMKTMK-UHFFFAOYSA-N 0 0 189.262 2.026 10 0 AEAERN CCN(CC)c1coc(C(C)=O)c1 75549086 572862169 /nfs/dbraw/zinc/86/21/69/572862169.db2.gz PPDPGNBIYQBDCE-UHFFFAOYSA-N 0 0 181.235 2.328 10 0 AEAERN Cc1coc(CC(C)C)c1N 257592524 572862294 /nfs/dbraw/zinc/86/22/94/572862294.db2.gz SLVIBLRQPJGWET-UHFFFAOYSA-N 0 0 153.225 2.369 10 0 AEAERN CC(=O)c1ccc(N2CCCCC2)[nH]1 75551529 572862344 /nfs/dbraw/zinc/86/23/44/572862344.db2.gz DERYLBZHGDKDHV-UHFFFAOYSA-N 0 0 192.262 2.208 10 0 AEAERN CN1CC2(CCC2)c2cc(N)sc21 257586389 572862416 /nfs/dbraw/zinc/86/24/16/572862416.db2.gz ZLGUBWZCDYWMHP-UHFFFAOYSA-N 0 0 194.303 2.202 10 0 AEAERN CCCc1sc(N)cc1N(C)C 75548957 572862370 /nfs/dbraw/zinc/86/23/70/572862370.db2.gz UTBMXLLJXVNBQE-UHFFFAOYSA-N 0 0 184.308 2.349 10 0 AEAERN CCC(=O)Cn1cnc2ccccc21 50180634 572865165 /nfs/dbraw/zinc/86/51/65/572865165.db2.gz WSWSNNDHVBXKGG-UHFFFAOYSA-N 0 0 188.230 2.015 10 0 AEAERN O=Cc1cc(N2CCCCC2)co1 75549102 572862440 /nfs/dbraw/zinc/86/24/40/572862440.db2.gz VAOWDUZBNWZXPK-UHFFFAOYSA-N 0 0 179.219 2.082 10 0 AEAERN Cc1ncoc1-c1ccc(N)s1 257589566 572862478 /nfs/dbraw/zinc/86/24/78/572862478.db2.gz KSVKTVGRKYUTNK-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN Cc1cnc(-c2coc(N)c2)s1 257589493 572862524 /nfs/dbraw/zinc/86/25/24/572862524.db2.gz AKDLASTZSDDESM-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN Cc1ncc(-c2ccc(N)n2C)s1 257586257 572862547 /nfs/dbraw/zinc/86/25/47/572862547.db2.gz YOVVGNKRKQBDCF-UHFFFAOYSA-N 0 0 193.275 2.039 10 0 AEAERN Cn1cc(N)c2c(C3CC3)ccnc21 75585740 572862549 /nfs/dbraw/zinc/86/25/49/572862549.db2.gz IQOFEGBISIEBNN-UHFFFAOYSA-N 0 0 187.246 2.033 10 0 AEAERN CC(=O)c1cc(N2CCCCC2)co1 75549083 572862560 /nfs/dbraw/zinc/86/25/60/572862560.db2.gz PLUPHWMJICOFBT-UHFFFAOYSA-N 0 0 193.246 2.473 10 0 AEAERN Cc1sc(N)cc1-c1ccon1 257589767 572862566 /nfs/dbraw/zinc/86/25/66/572862566.db2.gz YHFJZDWWPZHBBW-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN CCN(CC)c1c[nH]c(C(C)=O)c1 75551611 572862586 /nfs/dbraw/zinc/86/25/86/572862586.db2.gz BMHVFMYLLIOXBW-UHFFFAOYSA-N 0 0 180.251 2.064 10 0 AEAERN Cc1nc(-c2occc2N)cs1 257589731 572862619 /nfs/dbraw/zinc/86/26/19/572862619.db2.gz SFKSZWMRVXSMIV-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN Cc1coc(-c2ccc(N)n2C)c1 257589550 572862647 /nfs/dbraw/zinc/86/26/47/572862647.db2.gz IMFIVRJRMAJANJ-UHFFFAOYSA-N 0 0 176.219 2.176 10 0 AEAERN CC(=O)c1cc(N2CCCC2)co1 75549084 572862693 /nfs/dbraw/zinc/86/26/93/572862693.db2.gz AXPKFCBSMJJPNP-UHFFFAOYSA-N 0 0 179.219 2.082 10 0 AEAERN CCN(CC)c1ccc(C(C)=O)[nH]1 75551543 572862725 /nfs/dbraw/zinc/86/27/25/572862725.db2.gz WKLQJIPTZWGKJY-UHFFFAOYSA-N 0 0 180.251 2.064 10 0 AEAERN CN(C)c1cc(N)sc1CC1CC1 75548961 572862770 /nfs/dbraw/zinc/86/27/70/572862770.db2.gz UJKVYLWOLMMHCT-UHFFFAOYSA-N 0 0 196.319 2.349 10 0 AEAERN CCc1oc(N)cc1-c1ccon1 257589574 572862832 /nfs/dbraw/zinc/86/28/32/572862832.db2.gz MENUSUQACQNNPM-UHFFFAOYSA-N 0 0 178.191 2.079 10 0 AEAERN Cc1ncsc1-c1occc1N 257589556 572862888 /nfs/dbraw/zinc/86/28/88/572862888.db2.gz JULVIFWIDIMEPV-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN Cc1ccoc1-c1occc1N 257592487 572862953 /nfs/dbraw/zinc/86/29/53/572862953.db2.gz GHSRQNOXJOBLQE-UHFFFAOYSA-N 0 0 163.176 2.430 10 0 AEAERN CC[C@H]1COc2sc(N)cc21 257589562 572862988 /nfs/dbraw/zinc/86/29/88/572862988.db2.gz KJCACZAPRLCWKG-YFKPBYRVSA-N 0 0 169.249 2.216 10 0 AEAERN CCc1oc(N)cc1-c1cnco1 257589736 572862990 /nfs/dbraw/zinc/86/29/90/572862990.db2.gz SVDKTBFGXRASEU-UHFFFAOYSA-N 0 0 178.191 2.079 10 0 AEAERN C[C@@H]1S[C@H](C(C)(C)C)OC1=O 71623859 572863022 /nfs/dbraw/zinc/86/30/22/572863022.db2.gz BBCNMYQDVCRBRW-CAHLUQPWSA-N 0 0 174.265 2.037 10 0 in-vitro AEAERN Nc1ccoc1-c1ccc2nc[nH]c2c1 257586198 572863091 /nfs/dbraw/zinc/86/30/91/572863091.db2.gz VBWCPMZZGQPENB-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN Cc1cc(-c2csc(N)c2)no1 257589697 572863192 /nfs/dbraw/zinc/86/31/92/572863192.db2.gz NSJWSTWZDLZULE-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN NC(=O)SCCCc1ccccc1 238610458 572863202 /nfs/dbraw/zinc/86/32/02/572863202.db2.gz YIYXQRVKIHIIJS-UHFFFAOYSA-N 0 0 195.287 2.431 10 0 AEAERN Cc1cnc(-c2csc(N)c2)o1 257589754 572863344 /nfs/dbraw/zinc/86/33/44/572863344.db2.gz VPZXSWIKBQQBRF-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN COC(C)(C)[C@H](O)Cc1ccccc1 86071882 572865760 /nfs/dbraw/zinc/86/57/60/572865760.db2.gz KIMCFINYCZDSDQ-LLVKDONJSA-N 0 0 194.274 2.015 10 0 AEAERN CCCCC(=O)OC[C@@H]1C[C@H]1C 307965286 572865761 /nfs/dbraw/zinc/86/57/61/572865761.db2.gz BJOSZOVDGGDONT-BDAKNGLRSA-N 0 0 170.252 2.376 10 0 AEAERN CCN(CC)c1ccc(C(C)=O)n1C 75556962 572863588 /nfs/dbraw/zinc/86/35/88/572863588.db2.gz FADMMPZSWDZYQV-UHFFFAOYSA-N 0 0 194.278 2.074 10 0 AEAERN CCc1oncc1-c1occc1N 257589589 572863621 /nfs/dbraw/zinc/86/36/21/572863621.db2.gz NGZBUYCVYPHTJA-UHFFFAOYSA-N 0 0 178.191 2.079 10 0 AEAERN CC[C@H](C)C[C@@H](O)C(C)(C)OC 86072254 572863635 /nfs/dbraw/zinc/86/36/35/572863635.db2.gz NWCQRXCUNBHQBV-DTWKUNHWSA-N 0 0 174.284 2.209 10 0 AEAERN CCC(=O)CSCC(C)C 50181977 572863659 /nfs/dbraw/zinc/86/36/59/572863659.db2.gz USVACTUCLLYGFY-UHFFFAOYSA-N 0 0 160.282 2.355 10 0 AEAERN Cn1c(N)ccc1-c1ccccc1 257589507 572863675 /nfs/dbraw/zinc/86/36/75/572863675.db2.gz BYJUUUDPXSGMEZ-UHFFFAOYSA-N 0 0 172.231 2.274 10 0 AEAERN CC[C@@H]1COc2sc(N)cc21 257589561 572863714 /nfs/dbraw/zinc/86/37/14/572863714.db2.gz KJCACZAPRLCWKG-RXMQYKEDSA-N 0 0 169.249 2.216 10 0 AEAERN Cc1oncc1-c1ccc(N)s1 257589521 572863740 /nfs/dbraw/zinc/86/37/40/572863740.db2.gz DFDSJPZBFIKVDI-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN Cc1ccc(-c2ccc(N)n2C)o1 257589492 572863773 /nfs/dbraw/zinc/86/37/73/572863773.db2.gz AAUDCGSIDVERRM-UHFFFAOYSA-N 0 0 176.219 2.176 10 0 AEAERN CCCCC(=O)C(C)(C)OC 86071368 572863849 /nfs/dbraw/zinc/86/38/49/572863849.db2.gz KRYJASMFSOLGSG-UHFFFAOYSA-N 0 0 158.241 2.171 10 0 AEAERN Cc1nc(C)c(-c2coc(N)c2)o1 257589551 572863911 /nfs/dbraw/zinc/86/39/11/572863911.db2.gz JGDLMEIFYMCRNX-UHFFFAOYSA-N 0 0 178.191 2.134 10 0 AEAERN CC(=O)Nc1ccc(C(C)=O)cc1C 71617450 572863924 /nfs/dbraw/zinc/86/39/24/572863924.db2.gz UMWGYGAELKNLHK-UHFFFAOYSA-N 0 0 191.230 2.156 10 0 AEAERN Cn1cccc1-c1csc(N)c1 257589546 572863942 /nfs/dbraw/zinc/86/39/42/572863942.db2.gz HYYDQCMUAHQDEN-UHFFFAOYSA-N 0 0 178.260 2.336 10 0 AEAERN C[NH2+][C@H](c1ccsc1)C(C)(C)OC 86073519 572863944 /nfs/dbraw/zinc/86/39/44/572863944.db2.gz HWCWWEYHBXNIMY-SECBINFHSA-N 0 0 199.319 2.434 10 0 AEAERN Cc1ccoc1-c1ccc(N)n1C 257589756 572863949 /nfs/dbraw/zinc/86/39/49/572863949.db2.gz VZTYGUAOHCXHND-UHFFFAOYSA-N 0 0 176.219 2.176 10 0 AEAERN C=CSc1nc(C)ccc1O 75555412 572864002 /nfs/dbraw/zinc/86/40/02/572864002.db2.gz XMRBLKCCOFVYAL-UHFFFAOYSA-N 0 0 167.233 2.331 10 0 AEAERN CCC(=O)CS[C@H](C)CC 50181993 572864014 /nfs/dbraw/zinc/86/40/14/572864014.db2.gz KRZDCLHOVORSIY-SSDOTTSWSA-N 0 0 160.282 2.497 10 0 AEAERN Cc1ncoc1-c1cc(N)oc1C 257589568 572864017 /nfs/dbraw/zinc/86/40/17/572864017.db2.gz LCUGIJMFGGSQCG-UHFFFAOYSA-N 0 0 178.191 2.134 10 0 AEAERN CCc1csc([C@@H]([NH3+])C2CC2)n1 50181957 572864039 /nfs/dbraw/zinc/86/40/39/572864039.db2.gz JWMJTAFQRZQCPU-QMMMGPOBSA-N 0 0 182.292 2.115 10 0 AEAERN Nc1cc2c(s1)-c1ccoc1C2 257589547 572864101 /nfs/dbraw/zinc/86/41/01/572864101.db2.gz ICTDOYCBQDQCMG-UHFFFAOYSA-N 0 0 177.228 2.495 10 0 AEAERN C/C=C/[C@@H](O)c1ccc(C)o1 167981077 572864132 /nfs/dbraw/zinc/86/41/32/572864132.db2.gz LRHRXMRPQABFAJ-MPJRPATESA-N 0 0 152.193 2.198 10 0 AEAERN Cc1oc(N)cc1-c1cncs1 257589706 572864183 /nfs/dbraw/zinc/86/41/83/572864183.db2.gz PHCWARGYAKLLRZ-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN Cc1ncoc1-c1csc(N)c1 257589774 572864190 /nfs/dbraw/zinc/86/41/90/572864190.db2.gz ZOABKBVTEFDMEH-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN Cc1coc(-c2occc2N)c1 257592528 572864202 /nfs/dbraw/zinc/86/42/02/572864202.db2.gz URJKMMJGBBVXRC-UHFFFAOYSA-N 0 0 163.176 2.430 10 0 AEAERN Cc1ccc(OC/C=C\CO)c(C)c1 714568790 572864253 /nfs/dbraw/zinc/86/42/53/572864253.db2.gz JCWKTEXQHRRACS-ARJAWSKDSA-N 0 0 192.258 2.231 10 0 AEAERN Cc1coc(-c2cc(N)oc2C)n1 257589570 572864255 /nfs/dbraw/zinc/86/42/55/572864255.db2.gz LIPWAFLTXMPYLW-UHFFFAOYSA-N 0 0 178.191 2.134 10 0 AEAERN Cc1scnc1-c1occc1N 257589735 572864350 /nfs/dbraw/zinc/86/43/50/572864350.db2.gz SUDZCHZLMAKPAY-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN CC[NH2+][C@@H](c1ccco1)C(C)(C)OC 86074313 572864372 /nfs/dbraw/zinc/86/43/72/572864372.db2.gz NSWCISWHBHXOBF-JTQLQIEISA-N 0 0 197.278 2.355 10 0 AEAERN Cc1ncc(-c2csc(N)c2)o1 257589572 572864520 /nfs/dbraw/zinc/86/45/20/572864520.db2.gz LVDQLDCILZILPI-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN CC[C@@H](C)C[C@H](O)C(C)(C)OC 86072247 572864522 /nfs/dbraw/zinc/86/45/22/572864522.db2.gz NWCQRXCUNBHQBV-BDAKNGLRSA-N 0 0 174.284 2.209 10 0 AEAERN CC[C@H](C)CC(=O)C(C)(C)OC 86071386 572864561 /nfs/dbraw/zinc/86/45/61/572864561.db2.gz CWCIRGICDQVDNI-QMMMGPOBSA-N 0 0 172.268 2.417 10 0 AEAERN CCCC(=O)CO[C@@H](C)CC 50185447 572864577 /nfs/dbraw/zinc/86/45/77/572864577.db2.gz PVNIMBYQKQDRFA-QMMMGPOBSA-N 0 0 158.241 2.171 10 0 AEAERN C[C@@H]1C[C@H](n2cccc2C=O)CCO1 235371954 572864580 /nfs/dbraw/zinc/86/45/80/572864580.db2.gz BHFRDPFTLNXNCN-NXEZZACHSA-N 0 0 193.246 2.041 10 0 AEAERN COC(C)(C)[C@H](O)CCC(C)C 86071876 572864581 /nfs/dbraw/zinc/86/45/81/572864581.db2.gz PDFRIGTVTRIYCA-SECBINFHSA-N 0 0 174.284 2.209 10 0 AEAERN Cc1noc(C)c1-c1occc1N 257589506 572864589 /nfs/dbraw/zinc/86/45/89/572864589.db2.gz BXJOYUPIGPLUQJ-UHFFFAOYSA-N 0 0 178.191 2.134 10 0 AEAERN CCC(=O)C[NH+]1[C@@H](C)CCC[C@@H]1C 50179704 572864596 /nfs/dbraw/zinc/86/45/96/572864596.db2.gz YBTRFRCFHCYEGC-UWVGGRQHSA-N 0 0 183.295 2.228 10 0 AEAERN CC[NH2+][C@H](c1ccco1)C(C)(C)OC 86074316 572864612 /nfs/dbraw/zinc/86/46/12/572864612.db2.gz NSWCISWHBHXOBF-SNVBAGLBSA-N 0 0 197.278 2.355 10 0 AEAERN Nc1ccc(-c2ccccc2)c(C=O)n1 238604225 572864670 /nfs/dbraw/zinc/86/46/70/572864670.db2.gz NWVWBXBLERLKJQ-UHFFFAOYSA-N 0 0 198.225 2.143 10 0 AEAERN COC(C)(C)C(=O)Cc1ccccc1 86071358 572864678 /nfs/dbraw/zinc/86/46/78/572864678.db2.gz ASUMTQOUAGWFRV-UHFFFAOYSA-N 0 0 192.258 2.223 10 0 AEAERN COC(C)(C)C(=O)CCC1CC1 86071632 572864683 /nfs/dbraw/zinc/86/46/83/572864683.db2.gz DZFBPIHLFMHTME-UHFFFAOYSA-N 0 0 170.252 2.171 10 0 AEAERN Cc1coc(-c2csc(N)c2)n1 257589549 572864802 /nfs/dbraw/zinc/86/48/02/572864802.db2.gz IKTGTEWNWAHGQR-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN COC(C)(C)C(=O)CC1CCC1 86071822 572864828 /nfs/dbraw/zinc/86/48/28/572864828.db2.gz KVKLETJBVZSKTI-UHFFFAOYSA-N 0 0 170.252 2.171 10 0 AEAERN CCN(CC)c1cc(C(C)=O)n(C)c1 75557025 572864871 /nfs/dbraw/zinc/86/48/71/572864871.db2.gz ALKRHKWFGUIUCA-UHFFFAOYSA-N 0 0 194.278 2.074 10 0 AEAERN CCC(=O)C[NH+]1[C@H](C)CCC[C@H]1C 50179705 572864934 /nfs/dbraw/zinc/86/49/34/572864934.db2.gz YBTRFRCFHCYEGC-NXEZZACHSA-N 0 0 183.295 2.228 10 0 AEAERN Cc1oc(N)c(C)c1-c1ncco1 257589563 572865017 /nfs/dbraw/zinc/86/50/17/572865017.db2.gz KLZGIZMJUYHZRZ-UHFFFAOYSA-N 0 0 178.191 2.134 10 0 AEAERN CCCC(=O)CSC(C)C 50186102 572865087 /nfs/dbraw/zinc/86/50/87/572865087.db2.gz LKHLWUBLLHWSLO-UHFFFAOYSA-N 0 0 160.282 2.497 10 0 AEAERN COC(C)(C)[C@@H](O)Cc1ccccc1 86071884 572865117 /nfs/dbraw/zinc/86/51/17/572865117.db2.gz KIMCFINYCZDSDQ-NSHDSACASA-N 0 0 194.274 2.015 10 0 AEAERN CCCCC[C@H](O)C(C)(C)OC 86072308 572865122 /nfs/dbraw/zinc/86/51/22/572865122.db2.gz UJKBLGUYCLHUSN-VIFPVBQESA-N 0 0 174.284 2.353 10 0 AEAERN CCc1csc([C@H]([NH3+])C2CC2)n1 50181956 572865128 /nfs/dbraw/zinc/86/51/28/572865128.db2.gz JWMJTAFQRZQCPU-MRVPVSSYSA-N 0 0 182.292 2.115 10 0 AEAERN CC[C@H](C)C[C@H](O)C(C)(C)OC 86072249 572865170 /nfs/dbraw/zinc/86/51/70/572865170.db2.gz NWCQRXCUNBHQBV-IUCAKERBSA-N 0 0 174.284 2.209 10 0 AEAERN C[NH2+][C@@H](c1ccsc1)C(C)(C)OC 86073520 572865190 /nfs/dbraw/zinc/86/51/90/572865190.db2.gz HWCWWEYHBXNIMY-VIFPVBQESA-N 0 0 199.319 2.434 10 0 AEAERN CCC(=O)CSC(C)C 50182042 572865288 /nfs/dbraw/zinc/86/52/88/572865288.db2.gz ICACLUIBXACZOX-UHFFFAOYSA-N 0 0 146.255 2.107 10 0 AEAERN CC[C@@H](C)CC(=O)C(C)(C)OC 86071385 572865384 /nfs/dbraw/zinc/86/53/84/572865384.db2.gz CWCIRGICDQVDNI-MRVPVSSYSA-N 0 0 172.268 2.417 10 0 AEAERN Cc1noc(N[C@H]2CCC[C@@H](C)C2)n1 235374055 572865426 /nfs/dbraw/zinc/86/54/26/572865426.db2.gz VNDDFOPRGLFCLK-APPZFPTMSA-N 0 0 195.266 2.369 10 0 AEAERN CCC(=O)COC(C)(C)CC 50181442 572865455 /nfs/dbraw/zinc/86/54/55/572865455.db2.gz KQZZTDSVKPFNHL-UHFFFAOYSA-N 0 0 158.241 2.171 10 0 AEAERN COC(C)(C)[C@@H](O)CC1CCCC1 86071927 572865463 /nfs/dbraw/zinc/86/54/63/572865463.db2.gz CJYUVNXUFISZLH-JTQLQIEISA-N 0 0 186.295 2.353 10 0 AEAERN COC(C)(C)C(=O)Cc1ccsc1 86071565 572865540 /nfs/dbraw/zinc/86/55/40/572865540.db2.gz AMGKZFCKDWQWTH-UHFFFAOYSA-N 0 0 198.287 2.285 10 0 AEAERN C[C@H](OC(=O)CC1CC1)C1CC1 307964690 572865613 /nfs/dbraw/zinc/86/56/13/572865613.db2.gz ZYWNXVBZWPQODR-ZETCQYMHSA-N 0 0 168.236 2.128 10 0 AEAERN COC(C)(C)[C@H](O)CC1CCCC1 86071925 572865670 /nfs/dbraw/zinc/86/56/70/572865670.db2.gz CJYUVNXUFISZLH-SNVBAGLBSA-N 0 0 186.295 2.353 10 0 AEAERN CN(c1ccccc1)c1cnn(C)c1 71711741 572865807 /nfs/dbraw/zinc/86/58/07/572865807.db2.gz PQOJRABGJIHZDJ-UHFFFAOYSA-N 0 0 187.246 2.188 10 0 AEAERN COC(C)(C)C(=O)Cc1cccs1 86071471 572866005 /nfs/dbraw/zinc/86/60/05/572866005.db2.gz ODHKLDLKJWUKEN-UHFFFAOYSA-N 0 0 198.287 2.285 10 0 AEAERN CC(C)(C)/C=C/C(=O)OCCF 307965677 572867254 /nfs/dbraw/zinc/86/72/54/572867254.db2.gz QWOCWQLMTLUUBC-SNAWJCMRSA-N 0 0 174.215 2.101 10 0 AEAERN Cc1cc2o[nH]c(C)c-2c(=O)c1C 75567326 572866154 /nfs/dbraw/zinc/86/61/54/572866154.db2.gz OTCVKAMAVDSCHD-UHFFFAOYSA-N 0 0 177.203 2.459 10 0 AEAERN COC(C)(C)C(=O)CCC(C)C 86071372 572866160 /nfs/dbraw/zinc/86/61/60/572866160.db2.gz HPPDKEWHBKFIKM-UHFFFAOYSA-N 0 0 172.268 2.417 10 0 AEAERN CC[C@@H](C)C[C@@H](O)C(C)(C)OC 86072252 572866220 /nfs/dbraw/zinc/86/62/20/572866220.db2.gz NWCQRXCUNBHQBV-RKDXNWHRSA-N 0 0 174.284 2.209 10 0 AEAERN CO[C@H](C)C(=O)CC1(C)CCC1 307966712 572869209 /nfs/dbraw/zinc/86/92/09/572869209.db2.gz RSVAKUHNUFPUOS-MRVPVSSYSA-N 0 0 170.252 2.171 10 0 AEAERN CC(=O)CCCc1ccccc1O 75568517 572866299 /nfs/dbraw/zinc/86/62/99/572866299.db2.gz TXPGJTCOENLVPL-UHFFFAOYSA-N 0 0 178.231 2.304 10 0 AEAERN CN(c1cnn(C)c1)C1CCCCC1 71711179 572866320 /nfs/dbraw/zinc/86/63/20/572866320.db2.gz QENPKYBDLBDVJG-UHFFFAOYSA-N 0 0 193.294 2.189 10 0 AEAERN CC1=C[C@H](c2ccc(O)cc2)OC1 75566442 572866442 /nfs/dbraw/zinc/86/64/42/572866442.db2.gz YPQZXCNTRHCNEF-LLVKDONJSA-N 0 0 176.215 2.410 10 0 AEAERN CCC[C@@H](O)c1c(C)nn(CC)c1C 307965350 572866526 /nfs/dbraw/zinc/86/65/26/572866526.db2.gz MCQXCNYANBOSFF-SNVBAGLBSA-N 0 0 196.294 2.353 10 0 AEAERN CC(=O)C(C)(C)C(=O)CC(C)C 77263657 572866534 /nfs/dbraw/zinc/86/65/34/572866534.db2.gz VSBBHWZOUHMXGT-UHFFFAOYSA-N 0 0 170.252 2.217 10 0 AEAERN CCCCC(=O)OC[C@H]1C[C@H]1C 307965352 572866558 /nfs/dbraw/zinc/86/65/58/572866558.db2.gz BJOSZOVDGGDONT-RKDXNWHRSA-N 0 0 170.252 2.376 10 0 AEAERN CC(C)(C)C(=O)OCc1ccc[nH]1 308154151 572866667 /nfs/dbraw/zinc/86/66/67/572866667.db2.gz QDQQOIRYZPYHMS-UHFFFAOYSA-N 0 0 181.235 2.104 10 0 AEAERN CCCCC(=O)OC[C@@H]1C[C@@H]1C 307965349 572866669 /nfs/dbraw/zinc/86/66/69/572866669.db2.gz BJOSZOVDGGDONT-IUCAKERBSA-N 0 0 170.252 2.376 10 0 AEAERN CCC[C@H](C)O[C@@H]1CCC[C@@H](O)C1 118722604 572866698 /nfs/dbraw/zinc/86/66/98/572866698.db2.gz CPSHPJSURFVXIO-HBNTYKKESA-N 0 0 186.295 2.495 10 0 AEAERN C[C@H]1CCN(C)c2cc(O)ccc21 75567792 572866768 /nfs/dbraw/zinc/86/67/68/572866768.db2.gz MAJRKOVZIKELKF-QMMMGPOBSA-N 0 0 177.247 2.336 10 0 AEAERN CCCC(=O)Cc1ccccc1O 75568497 572866780 /nfs/dbraw/zinc/86/67/80/572866780.db2.gz WEUVWJMCKVTZJX-UHFFFAOYSA-N 0 0 178.231 2.304 10 0 AEAERN CC(C)/C=C\C(=O)NC(C)(C)C 307965402 572866804 /nfs/dbraw/zinc/86/68/04/572866804.db2.gz QJBLWTXTEGSOMV-SREVYHEPSA-N 0 0 169.268 2.113 10 0 AEAERN CCC[C@@H](OC)[C@H](O)CCCCF 308154784 572866808 /nfs/dbraw/zinc/86/68/08/572866808.db2.gz SSUFQJSIFNECHM-NXEZZACHSA-N 0 0 192.274 2.302 10 0 AEAERN Cc1cc(O)cc2c1CC[C@@H](C)O2 75568426 572866892 /nfs/dbraw/zinc/86/68/92/572866892.db2.gz CPWGWQPHPURBBN-MRVPVSSYSA-N 0 0 178.231 2.414 10 0 AEAERN CC/C=C/C(=O)OCC1CCC1 307964758 572866897 /nfs/dbraw/zinc/86/68/97/572866897.db2.gz BHPJEVHYXLXVBP-XVNBXDOJSA-N 0 0 168.236 2.296 10 0 AEAERN CCCCC(=O)OC[C@H]1C[C@@H]1C 307965344 572866911 /nfs/dbraw/zinc/86/69/11/572866911.db2.gz BJOSZOVDGGDONT-DTWKUNHWSA-N 0 0 170.252 2.376 10 0 AEAERN Cc1cc(=O)c2c(C)[nH]oc-2c1C 75567325 572866939 /nfs/dbraw/zinc/86/69/39/572866939.db2.gz NHDMEHXFQKVQCR-UHFFFAOYSA-N 0 0 177.203 2.459 10 0 AEAERN Cn1cc(N2CCc3ccccc32)cn1 71711778 572866981 /nfs/dbraw/zinc/86/69/81/572866981.db2.gz BTSBRMRAQIYGEA-UHFFFAOYSA-N 0 0 199.257 2.114 10 0 AEAERN CCC[C@H](O)c1c(C)nn(CC)c1C 307965348 572866997 /nfs/dbraw/zinc/86/69/97/572866997.db2.gz MCQXCNYANBOSFF-JTQLQIEISA-N 0 0 196.294 2.353 10 0 AEAERN Cc1cc(O)cc2c1CC[C@H](C)O2 75568424 572867142 /nfs/dbraw/zinc/86/71/42/572867142.db2.gz CPWGWQPHPURBBN-QMMMGPOBSA-N 0 0 178.231 2.414 10 0 AEAERN CN(c1cncnc1)C1CCCCC1 71711178 572867236 /nfs/dbraw/zinc/86/72/36/572867236.db2.gz QIOHNHNGIRRRJF-UHFFFAOYSA-N 0 0 191.278 2.246 10 0 AEAERN CCC[C@H](C)O[C@H]1CCC[C@@H](O)C1 118722608 572867239 /nfs/dbraw/zinc/86/72/39/572867239.db2.gz CPSHPJSURFVXIO-AXFHLTTASA-N 0 0 186.295 2.495 10 0 AEAERN CC(C)CONCCSC(C)C 307965638 572867351 /nfs/dbraw/zinc/86/73/51/572867351.db2.gz QURBCWUPVLLZPM-UHFFFAOYSA-N 0 0 191.340 2.305 10 0 AEAERN CC1=C[C@@H](c2ccc(O)cc2)OC1 75566443 572868029 /nfs/dbraw/zinc/86/80/29/572868029.db2.gz YPQZXCNTRHCNEF-NSHDSACASA-N 0 0 176.215 2.410 10 0 AEAERN CN(Cc1ccccc1)c1cncnc1 71711230 572868662 /nfs/dbraw/zinc/86/86/62/572868662.db2.gz DMYNNYXDXRLUBI-UHFFFAOYSA-N 0 0 199.257 2.113 10 0 AEAERN CC(C)(C)/C=C\C(=O)OCCF 307965675 572867583 /nfs/dbraw/zinc/86/75/83/572867583.db2.gz QWOCWQLMTLUUBC-PLNGDYQASA-N 0 0 174.215 2.101 10 0 AEAERN CC1=C[C@@H](c2ccccc2O)OC1 75566392 572867588 /nfs/dbraw/zinc/86/75/88/572867588.db2.gz LGAPZOVQHWGMGG-NSHDSACASA-N 0 0 176.215 2.410 10 0 AEAERN CC/C=C\C(=O)OCC1CCC1 307964757 572867638 /nfs/dbraw/zinc/86/76/38/572867638.db2.gz BHPJEVHYXLXVBP-CLTKARDFSA-N 0 0 168.236 2.296 10 0 AEAERN C[C@@H]1CCN(C)c2cc(O)ccc21 75567784 572867653 /nfs/dbraw/zinc/86/76/53/572867653.db2.gz MAJRKOVZIKELKF-MRVPVSSYSA-N 0 0 177.247 2.336 10 0 AEAERN CN(c1ccccc1)c1cncnc1 71711740 572867818 /nfs/dbraw/zinc/86/78/18/572867818.db2.gz FLNDSULDNGLMIZ-UHFFFAOYSA-N 0 0 185.230 2.245 10 0 AEAERN COCCCc1ccccc1C=O 75568560 572867836 /nfs/dbraw/zinc/86/78/36/572867836.db2.gz YYNLFVJDONTWMP-UHFFFAOYSA-N 0 0 178.231 2.078 10 0 AEAERN CCC(=O)CCc1ccccc1O 75568516 572868010 /nfs/dbraw/zinc/86/80/10/572868010.db2.gz AUADUXOFDWHWTG-UHFFFAOYSA-N 0 0 178.231 2.304 10 0 AEAERN Cc1cc2c(c(O)c1C)C[C@H](C)O2 75568509 572868156 /nfs/dbraw/zinc/86/81/56/572868156.db2.gz ZYOAJSJLSOZHAW-ZETCQYMHSA-N 0 0 178.231 2.332 10 0 AEAERN O[C@@H]1CCCC[C@@H]1[C@H]1CCCCO1 256069141 572868173 /nfs/dbraw/zinc/86/81/73/572868173.db2.gz CCZQUOSBKJIMMJ-HBNTYKKESA-N 0 0 184.279 2.107 10 0 AEAERN Cc1cc2c(c(O)c1C)C[C@@H](C)O2 75568511 572868185 /nfs/dbraw/zinc/86/81/85/572868185.db2.gz ZYOAJSJLSOZHAW-SSDOTTSWSA-N 0 0 178.231 2.332 10 0 AEAERN O=Cc1cc2ccoc2cc1C=O 75564111 572868207 /nfs/dbraw/zinc/86/82/07/572868207.db2.gz IGZRMPUKFWMAFA-UHFFFAOYSA-N 0 0 174.155 2.058 10 0 AEAERN CCCCOCc1cccc(NC)n1 86118605 572868244 /nfs/dbraw/zinc/86/82/44/572868244.db2.gz UUJWWFNHMIJNDD-UHFFFAOYSA-N 0 0 194.278 2.440 10 0 AEAERN COc1c(C=O)ccc2ccoc12 75565984 572868324 /nfs/dbraw/zinc/86/83/24/572868324.db2.gz HEYPMNBTEBJARI-UHFFFAOYSA-N 0 0 176.171 2.254 10 0 AEAERN CCC(C)(C)OCc1cccc(N)n1 86118553 572868353 /nfs/dbraw/zinc/86/83/53/572868353.db2.gz FVPSQIIPFCQGGV-UHFFFAOYSA-N 0 0 194.278 2.369 10 0 AEAERN CCNc1cccc(COC(C)C)n1 86118489 572868588 /nfs/dbraw/zinc/86/85/88/572868588.db2.gz FYGAJJXFCMSLOF-UHFFFAOYSA-N 0 0 194.278 2.438 10 0 AEAERN CC/C=C/c1nc(CCC)no1 307966688 572868589 /nfs/dbraw/zinc/86/85/89/572868589.db2.gz CJKFPRRRKWMVEP-FNORWQNLSA-N 0 0 166.224 2.445 10 0 AEAERN CC(C)c1ccc2[nH]c(CO)nc2c1 71743268 572868590 /nfs/dbraw/zinc/86/85/90/572868590.db2.gz CVXDKYUVQJIOCA-UHFFFAOYSA-N 0 0 190.246 2.179 10 0 AEAERN CCCNc1cccc(COC)n1 86118399 572868591 /nfs/dbraw/zinc/86/85/91/572868591.db2.gz XHJHJYCCWYSMLV-UHFFFAOYSA-N 0 0 180.251 2.050 10 0 AEAERN CCC1(C(=O)OC2CC2)CCC1 307966431 572868646 /nfs/dbraw/zinc/86/86/46/572868646.db2.gz CGNIFRWEYJVZHL-UHFFFAOYSA-N 0 0 168.236 2.272 10 0 AEAERN CCCCCOCc1cccc(N)n1 86118620 572868708 /nfs/dbraw/zinc/86/87/08/572868708.db2.gz GZOQQKFMHQUXTM-UHFFFAOYSA-N 0 0 194.278 2.371 10 0 AEAERN CC/C=C\C(=O)N(C)[C@H](C)CC 307966087 572868794 /nfs/dbraw/zinc/86/87/94/572868794.db2.gz BXXDFFPPTWREEE-UFGYOYAJSA-N 0 0 169.268 2.210 10 0 AEAERN CCCNc1cccc(COCC)n1 86118408 572868818 /nfs/dbraw/zinc/86/88/18/572868818.db2.gz SOPYNWWRJFVCTL-UHFFFAOYSA-N 0 0 194.278 2.440 10 0 AEAERN CNc1cccc(COCC(C)C)n1 86118517 572868908 /nfs/dbraw/zinc/86/89/08/572868908.db2.gz MPRXNZXGGLMEQC-UHFFFAOYSA-N 0 0 194.278 2.296 10 0 AEAERN Nc1ccc2c(c1)-c1ncccc1C2 75575994 572868958 /nfs/dbraw/zinc/86/89/58/572868958.db2.gz LCVGRCCBZKFSAY-UHFFFAOYSA-N 0 0 182.226 2.235 10 0 AEAERN CCNc1cccc(COCC)n1 86118401 572868989 /nfs/dbraw/zinc/86/89/89/572868989.db2.gz ZSCDZVRIVAJJOV-UHFFFAOYSA-N 0 0 180.251 2.050 10 0 AEAERN OCCCC[C@H]1COc2ccccc21 86108427 572869039 /nfs/dbraw/zinc/86/90/39/572869039.db2.gz MFVHTUSFOMMDNA-JTQLQIEISA-N 0 0 192.258 2.325 10 0 AEAERN CC/C=C/C(=O)OC1CC(C)C1 307966428 572869048 /nfs/dbraw/zinc/86/90/48/572869048.db2.gz CGMLPFXIYLUWPH-SNAWJCMRSA-N 0 0 168.236 2.294 10 0 AEAERN CC[C@H](C)OCc1cccc(NC)n1 86118637 572869086 /nfs/dbraw/zinc/86/90/86/572869086.db2.gz PZHSNNJTRIGVKA-VIFPVBQESA-N 0 0 194.278 2.438 10 0 AEAERN CCCOCc1cccc(NC)n1 86118591 572869102 /nfs/dbraw/zinc/86/91/02/572869102.db2.gz RXCQAJITTNBWOB-UHFFFAOYSA-N 0 0 180.251 2.050 10 0 AEAERN CC/C=C/C(=O)N(C)[C@H](C)CC 307966084 572870728 /nfs/dbraw/zinc/87/07/28/572870728.db2.gz BXXDFFPPTWREEE-FCZSHJHJSA-N 0 0 169.268 2.210 10 0 AEAERN CC(C)CCOCc1cccc(N)n1 86118453 572869456 /nfs/dbraw/zinc/86/94/56/572869456.db2.gz GHGPNHGANUKVJT-UHFFFAOYSA-N 0 0 194.278 2.227 10 0 AEAERN O=C(Cc1ccsc1)OC1CCC1 308156381 572869533 /nfs/dbraw/zinc/86/95/33/572869533.db2.gz AYSMRQCEQUMTOB-UHFFFAOYSA-N 0 0 196.271 2.386 10 0 AEAERN CO[C@@H](C)C(=O)CC1(C)CCC1 307966717 572869586 /nfs/dbraw/zinc/86/95/86/572869586.db2.gz RSVAKUHNUFPUOS-QMMMGPOBSA-N 0 0 170.252 2.171 10 0 AEAERN CCCOCc1cccc(NCC)n1 86118590 572869592 /nfs/dbraw/zinc/86/95/92/572869592.db2.gz LMHCHJCXEVWSDC-UHFFFAOYSA-N 0 0 194.278 2.440 10 0 AEAERN CCCSCc1cccc(N)n1 86118806 572869661 /nfs/dbraw/zinc/86/96/61/572869661.db2.gz LATXSQLIKAUYOD-UHFFFAOYSA-N 0 0 182.292 2.307 10 0 AEAERN CC/C=C\c1nc(CCC)no1 307966687 572869666 /nfs/dbraw/zinc/86/96/66/572869666.db2.gz CJKFPRRRKWMVEP-ALCCZGGFSA-N 0 0 166.224 2.445 10 0 AEAERN C[Si](C)(C)[C@H]1CCC[C@H]1O 196561398 572871117 /nfs/dbraw/zinc/87/11/17/572871117.db2.gz GDQYNCYDQHETBJ-SFYZADRCSA-N 0 0 158.317 2.240 10 0 AEAERN CCOCc1ccc(CC)c(O)c1 75570069 572869788 /nfs/dbraw/zinc/86/97/88/572869788.db2.gz NZQZMJYNLJRWQA-UHFFFAOYSA-N 0 0 180.247 2.491 10 0 AEAERN Cc1nc2c(ccc3[nH]cc(C=O)c32)[nH]1 77597353 572869834 /nfs/dbraw/zinc/86/98/34/572869834.db2.gz ADFLKSKIKARSSU-UHFFFAOYSA-N 0 0 199.213 2.165 10 0 AEAERN OCCCC[C@@H]1COc2ccccc21 86108424 572869848 /nfs/dbraw/zinc/86/98/48/572869848.db2.gz MFVHTUSFOMMDNA-SNVBAGLBSA-N 0 0 192.258 2.325 10 0 AEAERN CNc1cccc(COCC2CC2)n1 86118577 572869888 /nfs/dbraw/zinc/86/98/88/572869888.db2.gz JPFMMXWQKSRWLQ-UHFFFAOYSA-N 0 0 192.262 2.050 10 0 AEAERN CC(C)OC(=O)[C@H]1C[C@@H]1C1CCC1 308156372 572869895 /nfs/dbraw/zinc/86/98/95/572869895.db2.gz RRDLQLHOUYXRJX-ZJUUUORDSA-N 0 0 182.263 2.374 10 0 AEAERN CC[C@@H](C)OCc1cccc(NC)n1 86118633 572869902 /nfs/dbraw/zinc/86/99/02/572869902.db2.gz PZHSNNJTRIGVKA-SECBINFHSA-N 0 0 194.278 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/nfs/dbraw/zinc/90/57/80/572905780.db2.gz GFNSQBTYLODFID-UWVGGRQHSA-N 0 0 184.327 2.301 10 0 AEAERN Cc1ccc2oc(C(C)(C)O)nc2c1 75846139 572905813 /nfs/dbraw/zinc/90/58/13/572905813.db2.gz JBDVWGMVMIPDJP-UHFFFAOYSA-N 0 0 191.230 2.364 10 0 AEAERN CCCC(=O)[C@@H](CC)[C@H]1CCOC1 308185025 572908553 /nfs/dbraw/zinc/90/85/53/572908553.db2.gz JDHMZIOEBWLIRM-UWVGGRQHSA-N 0 0 184.279 2.418 10 0 AEAERN Cc1ccc(C(C)C)c([O-])c1C(N)=[NH2+] 75848021 572905874 /nfs/dbraw/zinc/90/58/74/572905874.db2.gz ZLPPOKJSHDOULW-UHFFFAOYSA-N 0 0 192.262 2.108 10 0 AEAERN CCCC/C=C/C[C@H](O)[C@@H](C)CO 308183172 572905989 /nfs/dbraw/zinc/90/59/89/572905989.db2.gz DRAHOYCWWNPWHK-JYLGIWJRSA-N 0 0 186.295 2.112 10 0 AEAERN Cc1csc(C2(O)CCCC2)n1 75846718 572906101 /nfs/dbraw/zinc/90/61/01/572906101.db2.gz ZGQXKASIPRXNSQ-UHFFFAOYSA-N 0 0 183.276 2.213 10 0 AEAERN CC(C)(O)c1ccc2c(c1)CCCN2 75845901 572906115 /nfs/dbraw/zinc/90/61/15/572906115.db2.gz XBDQVKQEUDCJHC-UHFFFAOYSA-N 0 0 191.274 2.272 10 0 AEAERN CC[C@@H]1CC[C@H](O)[C@H](OC2CCC2)C1 50521217 572906171 /nfs/dbraw/zinc/90/61/71/572906171.db2.gz PXHLLXVLKZPGET-ADEWGFFLSA-N 0 0 198.306 2.495 10 0 AEAERN CCCS[C@H](C)[C@@H](C)C(=O)OC 86293572 572906196 /nfs/dbraw/zinc/90/61/96/572906196.db2.gz BALGWPVHXYYQSQ-HTQZYQBOSA-N 0 0 190.308 2.327 10 0 AEAERN CCCC/C=C\C[C@H](O)[C@@H](C)CO 308183173 572906209 /nfs/dbraw/zinc/90/62/09/572906209.db2.gz DRAHOYCWWNPWHK-TWHAFNCTSA-N 0 0 186.295 2.112 10 0 AEAERN Nc1ccc(C2(O)CCCC2)cc1F 75846627 572906254 /nfs/dbraw/zinc/90/62/54/572906254.db2.gz SSOOPJRXNCLDRO-UHFFFAOYSA-N 0 0 195.237 2.170 10 0 AEAERN Cc1ccc(N)c(C2(O)CCCC2)c1 75846623 572906281 /nfs/dbraw/zinc/90/62/81/572906281.db2.gz UFIIIIGZKDMTOO-UHFFFAOYSA-N 0 0 191.274 2.339 10 0 AEAERN CCCCCC/C(C)=C\[C@@H](O)CO 308181551 572906321 /nfs/dbraw/zinc/90/63/21/572906321.db2.gz CQRYLYNDIFWOCQ-HIJJYWJESA-N 0 0 186.295 2.256 10 0 AEAERN Oc1ccc(F)cc1C1(O)CCCC1 75846628 572906338 /nfs/dbraw/zinc/90/63/38/572906338.db2.gz ULHJPKHNXJGPFY-UHFFFAOYSA-N 0 0 196.221 2.293 10 0 AEAERN Cc1cnc(C2(O)CCCC2)s1 75846720 572906344 /nfs/dbraw/zinc/90/63/44/572906344.db2.gz DKYIJQCEIZZEDM-UHFFFAOYSA-N 0 0 183.276 2.213 10 0 AEAERN Oc1cccc(C2(O)CCCC2)c1 75846618 572906350 /nfs/dbraw/zinc/90/63/50/572906350.db2.gz SFNTWLHVJCONPX-UHFFFAOYSA-N 0 0 178.231 2.154 10 0 AEAERN CC(C)C[C@H](C)[C@H]1CC[C@@H](CO)O1 308180850 572906379 /nfs/dbraw/zinc/90/63/79/572906379.db2.gz CQCISZVJRHUZNP-GARJFASQSA-N 0 0 186.295 2.209 10 0 AEAERN C/C=C\COCc1ccnc(Cl)n1 308185021 572909741 /nfs/dbraw/zinc/90/97/41/572909741.db2.gz FBGYAPNWEKVQPD-IHWYPQMZSA-N 0 0 198.653 2.223 10 0 AEAERN CC(=O)c1cc(Cl)cc(CO)c1 75844597 572906435 /nfs/dbraw/zinc/90/64/35/572906435.db2.gz YDZRVIXKUVSKPX-UHFFFAOYSA-N 0 0 184.622 2.035 10 0 AEAERN CCCC[C@@H]1CC[C@@H]([C@@H](O)CC)O1 308181317 572906457 /nfs/dbraw/zinc/90/64/57/572906457.db2.gz CWHSVTOGHIAKDG-VWYCJHECSA-N 0 0 186.295 2.495 10 0 AEAERN O=C(/C=C\C1CC1)O[C@H]1CCSC1 308180658 572906463 /nfs/dbraw/zinc/90/64/63/572906463.db2.gz FZAFKKNQXJOQHC-TYRPZCRBSA-N 0 0 198.287 2.001 10 0 AEAERN CC(C)(C)CC[C@@H](O)C1=COCC1 308183022 572906466 /nfs/dbraw/zinc/90/64/66/572906466.db2.gz DOTSNEXCQVAUSM-SNVBAGLBSA-N 0 0 184.279 2.478 10 0 AEAERN Oc1ccc(C2(O)CCCC2)cc1F 75846993 572906477 /nfs/dbraw/zinc/90/64/77/572906477.db2.gz JAEIYXABWBXGSJ-UHFFFAOYSA-N 0 0 196.221 2.293 10 0 AEAERN O=C(/C=C/C1CC1)O[C@@H]1CCSC1 308180653 572906501 /nfs/dbraw/zinc/90/65/01/572906501.db2.gz FZAFKKNQXJOQHC-CDAZIORVSA-N 0 0 198.287 2.001 10 0 AEAERN CCCC/C=C\C[C@H](O)[C@H](C)CO 308183174 572906543 /nfs/dbraw/zinc/90/65/43/572906543.db2.gz DRAHOYCWWNPWHK-UQRGBAIESA-N 0 0 186.295 2.112 10 0 AEAERN CC[C@@H]1CC[C@@H](O)[C@H](OC2CCC2)C1 50521219 572906577 /nfs/dbraw/zinc/90/65/77/572906577.db2.gz PXHLLXVLKZPGET-YUSALJHKSA-N 0 0 198.306 2.495 10 0 AEAERN CCCC[C@@H]1CC[C@H]([C@@H](O)CC)O1 308181316 572906594 /nfs/dbraw/zinc/90/65/94/572906594.db2.gz CWHSVTOGHIAKDG-OUAUKWLOSA-N 0 0 186.295 2.495 10 0 AEAERN NCc1nc2c(ccc3ccccc32)o1 75844958 572906706 /nfs/dbraw/zinc/90/67/06/572906706.db2.gz FWGFWUGVDLVKMM-UHFFFAOYSA-N 0 0 198.225 2.440 10 0 AEAERN CC(=O)c1cc(F)cc(C(C)(C)O)c1 75845927 572906742 /nfs/dbraw/zinc/90/67/42/572906742.db2.gz QYOGFOIYCUSHRN-UHFFFAOYSA-N 0 0 196.221 2.256 10 0 AEAERN OCc1nc2c(ccc3ccccc32)o1 75844774 572906761 /nfs/dbraw/zinc/90/67/61/572906761.db2.gz FOMWDNQBBAYIGA-UHFFFAOYSA-N 0 0 199.209 2.473 10 0 AEAERN O=C(C=C1CCCC1)OCCCF 308183784 572906796 /nfs/dbraw/zinc/90/67/96/572906796.db2.gz HZOHQPSJSOYBLJ-UHFFFAOYSA-N 0 0 186.226 2.390 10 0 AEAERN O=C(C[C@@H]1C=CCC1)OCC(F)F 308180615 572906999 /nfs/dbraw/zinc/90/69/99/572906999.db2.gz FXIYFMGMSPAFGD-SSDOTTSWSA-N 0 0 190.189 2.151 10 0 AEAERN CCCS[C@@H](C)[C@H](C)C(=O)OC 86293574 572906927 /nfs/dbraw/zinc/90/69/27/572906927.db2.gz BALGWPVHXYYQSQ-YUMQZZPRSA-N 0 0 190.308 2.327 10 0 AEAERN CCCCOCC(=O)C(C)C 86277130 572906938 /nfs/dbraw/zinc/90/69/38/572906938.db2.gz KBJZBUMSQCOFHJ-UHFFFAOYSA-N 0 0 158.241 2.028 10 0 AEAERN CCCS[C@@H](C)[C@@H](C)C(=O)OC 86293569 572906972 /nfs/dbraw/zinc/90/69/72/572906972.db2.gz BALGWPVHXYYQSQ-SFYZADRCSA-N 0 0 190.308 2.327 10 0 AEAERN COC(=O)[C@H](C)[C@@H](C)SC(C)C 86293974 572907102 /nfs/dbraw/zinc/90/71/02/572907102.db2.gz UGZNZOPQYCRSLK-HTQZYQBOSA-N 0 0 190.308 2.326 10 0 AEAERN CC(C)C(=O)COCc1cccs1 86277225 572907127 /nfs/dbraw/zinc/90/71/27/572907127.db2.gz NIQVBVPFSNXITH-UHFFFAOYSA-N 0 0 198.287 2.490 10 0 AEAERN CC(C)C(=O)CO[C@@H](C)C(F)(F)F 86277314 572907134 /nfs/dbraw/zinc/90/71/34/572907134.db2.gz CPAYEGVNGISASA-LURJTMIESA-N 0 0 198.184 2.179 10 0 AEAERN CC[C@@H](C)OCC(=O)C(C)C 86277134 572907160 /nfs/dbraw/zinc/90/71/60/572907160.db2.gz GGOPYYRATBDAJT-MRVPVSSYSA-N 0 0 158.241 2.027 10 0 AEAERN COC(=O)[C@@H](C)[C@@H](C)SC(C)C 86293979 572907186 /nfs/dbraw/zinc/90/71/86/572907186.db2.gz UGZNZOPQYCRSLK-JGVFFNPUSA-N 0 0 190.308 2.326 10 0 AEAERN CC(C)(C)CC[C@H](O)C1=COCC1 308183021 572907190 /nfs/dbraw/zinc/90/71/90/572907190.db2.gz DOTSNEXCQVAUSM-JTQLQIEISA-N 0 0 184.279 2.478 10 0 AEAERN C[C@H](O)CCCCOC1CCC1 50521386 572907209 /nfs/dbraw/zinc/90/72/09/572907209.db2.gz YSUISAYUJQMLQL-VIFPVBQESA-N 0 0 172.268 2.107 10 0 AEAERN CC(C)CCOCC(=O)C(C)C 86277015 572907233 /nfs/dbraw/zinc/90/72/33/572907233.db2.gz BIZTUKGZZPOYIF-UHFFFAOYSA-N 0 0 172.268 2.274 10 0 AEAERN CCCCCOCC(=O)C(C)C 86277132 572907235 /nfs/dbraw/zinc/90/72/35/572907235.db2.gz YXNBBTMOKAOUPV-UHFFFAOYSA-N 0 0 172.268 2.418 10 0 AEAERN CCCS[C@H](C)[C@H](C)C(=O)OC 86293577 572907237 /nfs/dbraw/zinc/90/72/37/572907237.db2.gz BALGWPVHXYYQSQ-JGVFFNPUSA-N 0 0 190.308 2.327 10 0 AEAERN O=C(/C=C/C1CC1)O[C@H]1CCSC1 308180656 572907280 /nfs/dbraw/zinc/90/72/80/572907280.db2.gz FZAFKKNQXJOQHC-NWALNABHSA-N 0 0 198.287 2.001 10 0 AEAERN CCC[C@@H](O)[C@H](CC)OC1CCC1 50521202 572907294 /nfs/dbraw/zinc/90/72/94/572907294.db2.gz XVKAELJCFYYMAO-MNOVXSKESA-N 0 0 186.295 2.495 10 0 AEAERN COC(=O)[C@H](C)[C@H](C)SC(C)C 86293969 572907428 /nfs/dbraw/zinc/90/74/28/572907428.db2.gz UGZNZOPQYCRSLK-SFYZADRCSA-N 0 0 190.308 2.326 10 0 AEAERN Nc1ccc(-c2nccn2C2CC2)cc1 75877835 572907436 /nfs/dbraw/zinc/90/74/36/572907436.db2.gz ODRTUDDDPIHUIT-UHFFFAOYSA-N 0 0 199.257 2.467 10 0 AEAERN C[C@@H]1CC[C@@H](O)[C@H](OC2CCC2)C1 50521285 572907455 /nfs/dbraw/zinc/90/74/55/572907455.db2.gz UKOCJEDMCPKUFG-FBIMIBRVSA-N 0 0 184.279 2.105 10 0 AEAERN CCC[C@H](O)C[C@@H]1CCC[C@@]1(C)O 308185549 572910747 /nfs/dbraw/zinc/91/07/47/572910747.db2.gz FHZZYRVZZRIFHR-GARJFASQSA-N 0 0 186.295 2.089 10 0 AEAERN COC(=O)[C@@H](C)[C@H](C)SC(C)C 86293976 572907536 /nfs/dbraw/zinc/90/75/36/572907536.db2.gz UGZNZOPQYCRSLK-YUMQZZPRSA-N 0 0 190.308 2.326 10 0 AEAERN Cc1ccc(F)c(CCO)c1Cl 75856838 572907569 /nfs/dbraw/zinc/90/75/69/572907569.db2.gz FQEKDVPMIMMQDJ-UHFFFAOYSA-N 0 0 188.629 2.322 10 0 AEAERN CC(C)C(=O)COC1CCCC1 86277047 572907576 /nfs/dbraw/zinc/90/75/76/572907576.db2.gz PLUGWKLGZFPTOC-UHFFFAOYSA-N 0 0 170.252 2.171 10 0 AEAERN Cc1cc(O)cc2c1C[C@@H](C)N2 713773913 572907601 /nfs/dbraw/zinc/90/76/01/572907601.db2.gz KSSULMUINLSZOW-SSDOTTSWSA-N 0 0 163.220 2.057 10 0 AEAERN CC(C)C(=O)COc1ccc(F)cc1 86277080 572907632 /nfs/dbraw/zinc/90/76/32/572907632.db2.gz KMQDQDTZYHMQAE-UHFFFAOYSA-N 0 0 196.221 2.430 10 0 AEAERN CC(C)C(=O)CO[C@H](C)C(F)(F)F 86277316 572907718 /nfs/dbraw/zinc/90/77/18/572907718.db2.gz CPAYEGVNGISASA-ZCFIWIBFSA-N 0 0 198.184 2.179 10 0 AEAERN CC(C)C(=O)COCC1CCCC1 86277318 572907741 /nfs/dbraw/zinc/90/77/41/572907741.db2.gz NEGLNNLIEXMCCE-UHFFFAOYSA-N 0 0 184.279 2.418 10 0 AEAERN CCC(C)(C)OCC(=O)C(C)C 86277114 572907792 /nfs/dbraw/zinc/90/77/92/572907792.db2.gz WRNMGLABZIPMBA-UHFFFAOYSA-N 0 0 172.268 2.417 10 0 AEAERN Cc1cc(C=O)ccc1N(C)C1CC1 50544806 572907802 /nfs/dbraw/zinc/90/78/02/572907802.db2.gz MXYUMRXFPZYFKV-UHFFFAOYSA-N 0 0 189.258 2.406 10 0 AEAERN CC(C)C(=O)COc1cccc(F)c1 86277083 572907809 /nfs/dbraw/zinc/90/78/09/572907809.db2.gz XSQPRXPZXUEYBK-UHFFFAOYSA-N 0 0 196.221 2.430 10 0 AEAERN CC(=O)c1cc(Cl)cc(CCO)c1 75856887 572907811 /nfs/dbraw/zinc/90/78/11/572907811.db2.gz TVNOBTMZWXUFII-UHFFFAOYSA-N 0 0 198.649 2.077 10 0 AEAERN CN(c1ccc(C=O)o1)C1CCCC1 50544125 572908031 /nfs/dbraw/zinc/90/80/31/572908031.db2.gz LJDNBSBVQYJPKT-UHFFFAOYSA-N 0 0 193.246 2.471 10 0 AEAERN OCCc1nc2cc(Cl)ccc2o1 75864554 572908091 /nfs/dbraw/zinc/90/80/91/572908091.db2.gz IDLQVNMCJICGON-UHFFFAOYSA-N 0 0 197.621 2.016 10 0 AEAERN CC[C@H](C)OCC(=O)C(C)C 86277136 572908097 /nfs/dbraw/zinc/90/80/97/572908097.db2.gz GGOPYYRATBDAJT-QMMMGPOBSA-N 0 0 158.241 2.027 10 0 AEAERN OC/C=C\[C@@H]1C[C@H]1c1ccccc1 308185175 572908144 /nfs/dbraw/zinc/90/81/44/572908144.db2.gz FKNKADRRCIEWEY-HIMAVIEDSA-N 0 0 174.243 2.339 10 0 AEAERN OC/C=C\[C@@H]1C[C@@H]1c1ccccc1 308185176 572908172 /nfs/dbraw/zinc/90/81/72/572908172.db2.gz FKNKADRRCIEWEY-MGNMTHHWSA-N 0 0 174.243 2.339 10 0 AEAERN CNC(=S)c1cc(C)cc(C)c1 75856815 572908238 /nfs/dbraw/zinc/90/82/38/572908238.db2.gz NNXRWWDUKITGGB-UHFFFAOYSA-N 0 0 179.288 2.198 10 0 AEAERN CC(C)C(=O)COCc1ccco1 86277160 572908277 /nfs/dbraw/zinc/90/82/77/572908277.db2.gz WFYVITPYWGOBLZ-UHFFFAOYSA-N 0 0 182.219 2.021 10 0 AEAERN COCCCCC(=O)c1cncs1 308184600 572908350 /nfs/dbraw/zinc/90/83/50/572908350.db2.gz DYECNDJMTJUEHD-UHFFFAOYSA-N 0 0 199.275 2.143 10 0 AEAERN CCCC(=O)[C@@H](CC)[C@@H]1CCOC1 308185035 572908368 /nfs/dbraw/zinc/90/83/68/572908368.db2.gz JDHMZIOEBWLIRM-ZJUUUORDSA-N 0 0 184.279 2.418 10 0 AEAERN C[C@@H]1CC[C@H](O)[C@H](OC2CCC2)C1 50521283 572908438 /nfs/dbraw/zinc/90/84/38/572908438.db2.gz UKOCJEDMCPKUFG-DVVUODLYSA-N 0 0 184.279 2.105 10 0 AEAERN CNC(=S)c1cc(C)ccc1C 75856816 572908526 /nfs/dbraw/zinc/90/85/26/572908526.db2.gz WHLYSAMGWSMWBF-UHFFFAOYSA-N 0 0 179.288 2.198 10 0 AEAERN CCCCCC[C@H]1OCCC[C@@H]1O 308184718 572908584 /nfs/dbraw/zinc/90/85/84/572908584.db2.gz FHJKZCYBZVWROZ-WDEREUQCSA-N 0 0 186.295 2.497 10 0 AEAERN CC(C)SCCc1cccnc1N 308185051 572908771 /nfs/dbraw/zinc/90/87/71/572908771.db2.gz JDPFLKJAJSXSFZ-UHFFFAOYSA-N 0 0 196.319 2.348 10 0 AEAERN CCCC(=O)[C@H](CC)[C@H]1CCOC1 308185030 572908803 /nfs/dbraw/zinc/90/88/03/572908803.db2.gz JDHMZIOEBWLIRM-VHSXEESVSA-N 0 0 184.279 2.418 10 0 AEAERN C[C@@H]([NH2+]C1(C)CCCC1)[C@@H](C)C(=O)[O-] 86300254 572908808 /nfs/dbraw/zinc/90/88/08/572908808.db2.gz GLGLHYCVLBLWJM-RKDXNWHRSA-N 0 0 199.294 2.018 10 0 AEAERN CCCC(=O)[C@H](CC)[C@@H]1CCOC1 308185020 572908857 /nfs/dbraw/zinc/90/88/57/572908857.db2.gz JDHMZIOEBWLIRM-NXEZZACHSA-N 0 0 184.279 2.418 10 0 AEAERN Nc1ccc(-c2ccnn2C2CC2)cc1 75877922 572908887 /nfs/dbraw/zinc/90/88/87/572908887.db2.gz PZBMRRGSJMSSOY-UHFFFAOYSA-N 0 0 199.257 2.467 10 0 AEAERN CC(=O)c1c[nH]c(CSC(C)C)n1 308184559 572908917 /nfs/dbraw/zinc/90/89/17/572908917.db2.gz IWGVUCIBNLKBMU-UHFFFAOYSA-N 0 0 198.291 2.254 10 0 AEAERN CCCCCC[C@@H]1OCCC[C@H]1O 308184716 572909040 /nfs/dbraw/zinc/90/90/40/572909040.db2.gz FHJKZCYBZVWROZ-MNOVXSKESA-N 0 0 186.295 2.497 10 0 AEAERN C[C@H]([NH2+]C1(C)CCCC1)[C@H](C)C(=O)[O-] 86300259 572909445 /nfs/dbraw/zinc/90/94/45/572909445.db2.gz GLGLHYCVLBLWJM-IUCAKERBSA-N 0 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/nfs/dbraw/zinc/90/95/45/572909545.db2.gz FFRVNCSMQJLNSQ-UHFFFAOYSA-N 0 0 198.225 2.215 10 0 AEAERN CCCCCC[C@@H]1OCCC[C@@H]1O 308184717 572909579 /nfs/dbraw/zinc/90/95/79/572909579.db2.gz FHJKZCYBZVWROZ-QWRGUYRKSA-N 0 0 186.295 2.497 10 0 AEAERN C[C@H](O)C/C=C/C[C@H](O)C(C)(C)C 308185233 572909590 /nfs/dbraw/zinc/90/95/90/572909590.db2.gz FOGGFJZQZVSEPS-QEBMPYFUSA-N 0 0 186.295 2.111 10 0 AEAERN Cc1cc(O)c(C(C)C)cc1CCO 75856868 572909808 /nfs/dbraw/zinc/90/98/08/572909808.db2.gz VUWOORPBHYWDGQ-UHFFFAOYSA-N 0 0 194.274 2.359 10 0 AEAERN Cc1ccc(C(C)C)c(O)c1CCO 75864624 572909856 /nfs/dbraw/zinc/90/98/56/572909856.db2.gz MZDLDFOUAUJRPR-UHFFFAOYSA-N 0 0 194.274 2.359 10 0 AEAERN C/C=C/COCc1ccnc(Cl)n1 308185027 572909857 /nfs/dbraw/zinc/90/98/57/572909857.db2.gz FBGYAPNWEKVQPD-NSCUHMNNSA-N 0 0 198.653 2.223 10 0 AEAERN C[C@H](O)C/C=C\C[C@H](O)C(C)(C)C 308185234 572909862 /nfs/dbraw/zinc/90/98/62/572909862.db2.gz FOGGFJZQZVSEPS-QEJZFVATSA-N 0 0 186.295 2.111 10 0 AEAERN Cc1cc(O)cc2c1C[C@H](C)N2 713773918 572910274 /nfs/dbraw/zinc/91/02/74/572910274.db2.gz KSSULMUINLSZOW-ZETCQYMHSA-N 0 0 163.220 2.057 10 0 AEAERN C1CNc2onc(C3CCC3)c2C1 250512051 572910291 /nfs/dbraw/zinc/91/02/91/572910291.db2.gz CHJIYMXPUKNOTM-UHFFFAOYSA-N 0 0 178.235 2.300 10 0 AEAERN C=Cn1ccnc1-c1ccc(N)cc1 75877854 572910306 /nfs/dbraw/zinc/91/03/06/572910306.db2.gz ZLMBVDUSDBFMRS-UHFFFAOYSA-N 0 0 185.230 2.233 10 0 AEAERN C[C@H](C(=O)[O-])[C@@H](C)[NH2+]C1(C)CCCC1 86300251 572910319 /nfs/dbraw/zinc/91/03/19/572910319.db2.gz GLGLHYCVLBLWJM-DTWKUNHWSA-N 0 0 199.294 2.018 10 0 AEAERN C[C@@H]1SCC[C@]1(O)C(C)(C)C 235399735 572910329 /nfs/dbraw/zinc/91/03/29/572910329.db2.gz XUSHXJMJGWLRPC-IONNQARKSA-N 0 0 174.309 2.289 10 0 AEAERN CCCCC[C@@H](NN)c1ccc[nH]1 308182235 572910480 /nfs/dbraw/zinc/91/04/80/572910480.db2.gz CZCMUISEZQIDSR-SNVBAGLBSA-N 0 0 181.283 2.099 10 0 AEAERN Cc1ccc(N)cc1-c1ccc(N)nc1 75878032 572910539 /nfs/dbraw/zinc/91/05/39/572910539.db2.gz ASSCSNSWSZSOBF-UHFFFAOYSA-N 0 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183.251 2.029 10 0 AEAERN CCC[C@H](O)C[C@H]1CCC[C@]1(C)O 308185551 572911332 /nfs/dbraw/zinc/91/13/32/572911332.db2.gz FHZZYRVZZRIFHR-VWYCJHECSA-N 0 0 186.295 2.089 10 0 AEAERN COc1c(F)cc(F)c(F)c1F 75880523 572911599 /nfs/dbraw/zinc/91/15/99/572911599.db2.gz XGFAAJBPJUVNMU-UHFFFAOYSA-N 0 0 180.100 2.252 10 0 AEAERN Cc1ccc(N)c(-c2ccc(N)nc2)c1 75878030 572911601 /nfs/dbraw/zinc/91/16/01/572911601.db2.gz NZXFUEWXARYLHM-UHFFFAOYSA-N 0 0 199.257 2.221 10 0 AEAERN CCC[C@H](O)C[C@@H]1CCC[C@]1(C)O 308185548 572911648 /nfs/dbraw/zinc/91/16/48/572911648.db2.gz FHZZYRVZZRIFHR-DCAQKATOSA-N 0 0 186.295 2.089 10 0 AEAERN O=Cc1ccc(-c2ncco2)s1 75878598 572911649 /nfs/dbraw/zinc/91/16/49/572911649.db2.gz AYIHSVHTVDBUIY-UHFFFAOYSA-N 0 0 179.200 2.216 10 0 AEAERN CCCCc1[nH]nc(N)c1CCC 86314549 572911710 /nfs/dbraw/zinc/91/17/10/572911710.db2.gz YCAUMOSQMNBNHG-UHFFFAOYSA-N 0 0 181.283 2.287 10 0 AEAERN CCCCc1nn(C)c(N)c1CCC 86314601 572911811 /nfs/dbraw/zinc/91/18/11/572911811.db2.gz 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/nfs/dbraw/zinc/91/20/93/572912093.db2.gz FIXWZGDDVKEXQR-JTQLQIEISA-N 0 0 186.295 2.354 10 0 AEAERN C/C=C/C=C/COCCCCCO 238001620 572912119 /nfs/dbraw/zinc/91/21/19/572912119.db2.gz RNDFBTIRTMGROP-AOGGBPEJSA-N 0 0 184.279 2.298 10 0 AEAERN Cn1ccnc1-c1cc(F)ccc1F 75899079 572912176 /nfs/dbraw/zinc/91/21/76/572912176.db2.gz GXFNBAWGXZWPHG-UHFFFAOYSA-N 0 0 194.184 2.365 10 0 AEAERN CCCCc1noc([C@H](CC)NC)n1 86314723 572912213 /nfs/dbraw/zinc/91/22/13/572912213.db2.gz WKECDSQGYTVBAV-QMMMGPOBSA-N 0 0 197.282 2.083 10 0 AEAERN CCC[C@H](O)C[C@H]1CCC[C@@]1(C)O 308185550 572912231 /nfs/dbraw/zinc/91/22/31/572912231.db2.gz FHZZYRVZZRIFHR-OUAUKWLOSA-N 0 0 186.295 2.089 10 0 AEAERN C/C=C/C=C=CCCCCO 238007027 572912345 /nfs/dbraw/zinc/91/23/45/572912345.db2.gz KLJWWWVXSBKPEW-NSCUHMNNSA-N 0 0 152.237 2.436 10 0 AEAERN COc1ccc2c(c1OC)C[C@@H](C)N2 713775000 572912530 /nfs/dbraw/zinc/91/25/30/572912530.db2.gz OGFSCOBUTOXBSV-SSDOTTSWSA-N 0 0 193.246 2.060 10 0 AEAERN CCCc1c(CC(C)C)nn(C)c1N 86314597 572912555 /nfs/dbraw/zinc/91/25/55/572912555.db2.gz NGMNKRVMPJFEDA-UHFFFAOYSA-N 0 0 195.310 2.153 10 0 AEAERN CC1(C)C(=O)C[C@H]1/C=C\Cl 199336556 572912594 /nfs/dbraw/zinc/91/25/94/572912594.db2.gz SIMRIGWOZUXHLK-KGJQDRRLSA-N 0 0 158.628 2.354 10 0 AEAERN c1cc2c3c(c[nH]c3c1)CC1=NOC[C@@H]12 238001549 572912617 /nfs/dbraw/zinc/91/26/17/572912617.db2.gz VXEWIUTVWPJYDB-SECBINFHSA-N 0 0 198.225 2.194 10 0 AEAERN C/C=C/C=C/[C@H](O)Cc1ccccn1 238005756 572912662 /nfs/dbraw/zinc/91/26/62/572912662.db2.gz WSRUWQIIBRXXIZ-CVDZTHMFSA-N 0 0 189.258 2.117 10 0 AEAERN CCCc1c([C@H](C)CC)nn(C)c1N 86314582 572912667 /nfs/dbraw/zinc/91/26/67/572912667.db2.gz KZTFXATYWAIQLA-MRVPVSSYSA-N 0 0 195.310 2.468 10 0 AEAERN CC1(C)C(=O)C[C@@H]1/C=C\Cl 199336574 572912680 /nfs/dbraw/zinc/91/26/80/572912680.db2.gz SIMRIGWOZUXHLK-SYDCGGLASA-N 0 0 158.628 2.354 10 0 AEAERN CS/C=C\C(=O)N1[C@H](C)CC1(C)C 308187828 572913737 /nfs/dbraw/zinc/91/37/37/572913737.db2.gz KUJCKVMRDVHCOV-RPSMYOMKSA-N 0 0 199.319 2.263 10 0 AEAERN C/C=C/C=C/[C@@H](O)Cc1ccccn1 238003609 572912706 /nfs/dbraw/zinc/91/27/06/572912706.db2.gz WSRUWQIIBRXXIZ-LENVYROZSA-N 0 0 189.258 2.117 10 0 AEAERN Cc1[nH]nc2c(F)cc(F)cc12 75883955 572912714 /nfs/dbraw/zinc/91/27/14/572912714.db2.gz UBLLXHQQCBMZQH-UHFFFAOYSA-N 0 0 168.146 2.150 10 0 AEAERN CCCCc1nc(C(C)C)cc(=O)[nH]1 86314912 572912724 /nfs/dbraw/zinc/91/27/24/572912724.db2.gz WKVFOGLOEQNVPB-UHFFFAOYSA-N 0 0 194.278 2.236 10 0 AEAERN CCC(=O)[C@H](C)/C=C(/C)[C@@H](O)CC 308186237 572912735 /nfs/dbraw/zinc/91/27/35/572912735.db2.gz FZNHNUYOCSBYBT-AQRDWFMLSA-N 0 0 184.279 2.319 10 0 AEAERN CCCc1c(N)n[nH]c1CC(C)C 86314545 572912908 /nfs/dbraw/zinc/91/29/08/572912908.db2.gz RGZFNGMWHFWKSD-UHFFFAOYSA-N 0 0 181.283 2.143 10 0 AEAERN Cn1ccnc1-c1c(F)cccc1F 75899083 572912970 /nfs/dbraw/zinc/91/29/70/572912970.db2.gz URYKYJHGHBGXCM-UHFFFAOYSA-N 0 0 194.184 2.365 10 0 AEAERN c1cc2c3c(c[nH]c3c1)CC1=NOC[C@H]12 238001579 572913479 /nfs/dbraw/zinc/91/34/79/572913479.db2.gz VXEWIUTVWPJYDB-VIFPVBQESA-N 0 0 198.225 2.194 10 0 AEAERN CCO[C@@H]1CC[C@H]1[C@H](O)C(C)(C)C 308186167 572913078 /nfs/dbraw/zinc/91/30/78/572913078.db2.gz FWQZYDJPFHLIHN-BBBLOLIVSA-N 0 0 186.295 2.209 10 0 AEAERN Cn1c(N)ccc1Cc1cccs1 257628694 572913133 /nfs/dbraw/zinc/91/31/33/572913133.db2.gz CTAWNCQZKWBZPX-UHFFFAOYSA-N 0 0 192.287 2.260 10 0 AEAERN CCCCc1noc([C@@H](CC)NC)n1 86314722 572913962 /nfs/dbraw/zinc/91/39/62/572913962.db2.gz WKECDSQGYTVBAV-MRVPVSSYSA-N 0 0 197.282 2.083 10 0 AEAERN Cn1ccnc1-c1cccc(F)c1F 75899076 572913241 /nfs/dbraw/zinc/91/32/41/572913241.db2.gz QUFIXJULHQTWJV-UHFFFAOYSA-N 0 0 194.184 2.365 10 0 AEAERN CCCCc1nc(CCC)cc(=O)[nH]1 86314910 572913257 /nfs/dbraw/zinc/91/32/57/572913257.db2.gz QZMYGUNCLTYWEP-UHFFFAOYSA-N 0 0 194.278 2.065 10 0 AEAERN CCC(=O)[C@H](C)/C=C(\C)[C@H](O)CC 308186239 572913270 /nfs/dbraw/zinc/91/32/70/572913270.db2.gz FZNHNUYOCSBYBT-FSZMIWMDSA-N 0 0 184.279 2.319 10 0 AEAERN CCCCC(=O)c1ccnn1CC 86315012 572913328 /nfs/dbraw/zinc/91/33/28/572913328.db2.gz VNYYMJGBTSDZOI-UHFFFAOYSA-N 0 0 180.251 2.276 10 0 AEAERN CC[C@H](O)[C@@H](C)C[C@H](C)C(C)=O 257628299 572913366 /nfs/dbraw/zinc/91/33/66/572913366.db2.gz XRRVIORWRHHIPW-NRPADANISA-N 0 0 172.268 2.009 10 0 AEAERN CC[C@@H]1O[C@H](CC)CC=CC[C@H]1O 308182950 572913378 /nfs/dbraw/zinc/91/33/78/572913378.db2.gz DGXKLAQVZMEXQC-MXWKQRLJSA-N 0 0 184.279 2.271 10 0 AEAERN CC[C@@H]1O[C@H](CC)CC=CC[C@@H]1O 308182956 572913494 /nfs/dbraw/zinc/91/34/94/572913494.db2.gz DGXKLAQVZMEXQC-VWYCJHECSA-N 0 0 184.279 2.271 10 0 AEAERN C/C=C/C=C/C/C=C/CCO 238002178 572913447 /nfs/dbraw/zinc/91/34/47/572913447.db2.gz NBGMYLCCUOLYBL-KXLSQDITSA-N 0 0 152.237 2.447 10 0 AEAERN COc1ccc2[nH]nc(C3CC3)c2c1 75883989 572913458 /nfs/dbraw/zinc/91/34/58/572913458.db2.gz GLLRJTMXNVQJSU-UHFFFAOYSA-N 0 0 188.230 2.449 10 0 AEAERN COc1cccc2c(C3CC3)[nH]nc12 75883991 572913699 /nfs/dbraw/zinc/91/36/99/572913699.db2.gz MWAXQDSXBMYARJ-UHFFFAOYSA-N 0 0 188.230 2.449 10 0 AEAERN CCO[C@@H]1CC[C@@H]1[C@@H](O)C(C)(C)C 308186173 572913704 /nfs/dbraw/zinc/91/37/04/572913704.db2.gz FWQZYDJPFHLIHN-IVZWLZJFSA-N 0 0 186.295 2.209 10 0 AEAERN CC[C@H](O)[C@H](C)C[C@H](C)C(C)=O 257628300 572913756 /nfs/dbraw/zinc/91/37/56/572913756.db2.gz XRRVIORWRHHIPW-XKSSXDPKSA-N 0 0 172.268 2.009 10 0 AEAERN CCCCc1noc([C@@H](N)C(C)C)n1 86314628 572913787 /nfs/dbraw/zinc/91/37/87/572913787.db2.gz CJGYWQAENYMAHB-VIFPVBQESA-N 0 0 197.282 2.068 10 0 AEAERN CCC(=O)[C@H](C)/C=C(/C)[C@H](O)CC 308186241 572913939 /nfs/dbraw/zinc/91/39/39/572913939.db2.gz FZNHNUYOCSBYBT-NOFBZAKBSA-N 0 0 184.279 2.319 10 0 AEAERN CO[C@H](C)CCC(=O)c1ccc[nH]1 308182811 572913910 /nfs/dbraw/zinc/91/39/10/572913910.db2.gz DDYRCAPNMSDZFL-MRVPVSSYSA-N 0 0 181.235 2.013 10 0 AEAERN CO[C@@H](C)CCC(=O)c1ccc[nH]1 308182813 572914197 /nfs/dbraw/zinc/91/41/97/572914197.db2.gz DDYRCAPNMSDZFL-QMMMGPOBSA-N 0 0 181.235 2.013 10 0 AEAERN CC[C@H]1CNC(=O)c2cc(F)ccc21 57488756 572914222 /nfs/dbraw/zinc/91/42/22/572914222.db2.gz AYIPCVLDPFIGGU-ZETCQYMHSA-N 0 0 193.221 2.063 10 0 AEAERN CCCCc1noc([C@H](N)C(C)C)n1 86314627 572914794 /nfs/dbraw/zinc/91/47/94/572914794.db2.gz CJGYWQAENYMAHB-SECBINFHSA-N 0 0 197.282 2.068 10 0 AEAERN CC[C@@H]1CNC(=O)c2cc(F)ccc21 57488752 572914691 /nfs/dbraw/zinc/91/46/91/572914691.db2.gz AYIPCVLDPFIGGU-SSDOTTSWSA-N 0 0 193.221 2.063 10 0 AEAERN CCC(=O)[C@H](C)/C=C(\C)[C@@H](O)CC 308186243 572914435 /nfs/dbraw/zinc/91/44/35/572914435.db2.gz FZNHNUYOCSBYBT-QKTBUZEKSA-N 0 0 184.279 2.319 10 0 AEAERN OCC1(Oc2ccccc2)CCCC1 57488599 572914470 /nfs/dbraw/zinc/91/44/70/572914470.db2.gz UDJXNLPCLQLTDD-UHFFFAOYSA-N 0 0 192.258 2.371 10 0 AEAERN C/C(CCO)=C1\CC\C1=C(\C)CCO 238039753 572914585 /nfs/dbraw/zinc/91/45/85/572914585.db2.gz JZVOHAPUERGBMS-DSOJMZEYSA-N 0 0 196.290 2.178 10 0 AEAERN CC[C@@H]1CC=CC[C@H](O)[C@@H](CC)O1 308182953 572914598 /nfs/dbraw/zinc/91/45/98/572914598.db2.gz DGXKLAQVZMEXQC-OUAUKWLOSA-N 0 0 184.279 2.271 10 0 AEAERN CCc1ccc(C2(C)OCCO2)cc1 57488589 572914826 /nfs/dbraw/zinc/91/48/26/572914826.db2.gz CSHCTLODUXLSPD-UHFFFAOYSA-N 0 0 192.258 2.469 10 0 AEAERN C/C(=C\Sc1ccccc1)C(N)=O 238028024 572914791 /nfs/dbraw/zinc/91/47/91/572914791.db2.gz XOXIYVIDFOFWLI-BQYQJAHWSA-N 0 0 193.271 2.168 10 0 AEAERN CCCCC(=O)c1cc(C)cnc1N 86315039 572914799 /nfs/dbraw/zinc/91/47/99/572914799.db2.gz NJUYTPLDWXBREF-UHFFFAOYSA-N 0 0 192.262 2.345 10 0 AEAERN CCCCC(=O)Cc1cc(C)nn1C 86314998 572914829 /nfs/dbraw/zinc/91/48/29/572914829.db2.gz DNCQGENKVKHMKL-UHFFFAOYSA-N 0 0 194.278 2.030 10 0 AEAERN CC1(c2ccc(F)cc2)OCCCO1 57489937 572914841 /nfs/dbraw/zinc/91/48/41/572914841.db2.gz CPVPAABNIFFXDQ-UHFFFAOYSA-N 0 0 196.221 2.435 10 0 AEAERN CCO[C@@H]1CC[C@H]1[C@@H](O)C(C)(C)C 308186179 572914978 /nfs/dbraw/zinc/91/49/78/572914978.db2.gz FWQZYDJPFHLIHN-OPRDCNLKSA-N 0 0 186.295 2.209 10 0 AEAERN CSCCN(C)c1ccc(O)cc1 308185962 572914982 /nfs/dbraw/zinc/91/49/82/572914982.db2.gz JAQKSUIXSNCVMH-UHFFFAOYSA-N 0 0 197.303 2.191 10 0 AEAERN CCCCC(=O)c1nccn1CC 86314991 572915017 /nfs/dbraw/zinc/91/50/17/572915017.db2.gz PKMGUSSFOQUWAH-UHFFFAOYSA-N 0 0 180.251 2.276 10 0 AEAERN C/C=C/Oc1ccc(CCO)cc1 238024097 572915065 /nfs/dbraw/zinc/91/50/65/572915065.db2.gz LCBMKHQMZBJLSB-XNWCZRBMSA-N 0 0 178.231 2.134 10 0 AEAERN CCCc1c(N)n[nH]c1[C@H](C)CC 86314518 572915088 /nfs/dbraw/zinc/91/50/88/572915088.db2.gz IZAVGVCPWGSRFD-SSDOTTSWSA-N 0 0 181.283 2.458 10 0 AEAERN C/C(=C\CO)CCOC(C)(C)C 238040042 572915106 /nfs/dbraw/zinc/91/51/06/572915106.db2.gz QGGLYXDDCIODRY-WEVVVXLNSA-N 0 0 172.268 2.130 10 0 AEAERN O=c1[nH]cc(C2CCCC2)s1 72191702 572915203 /nfs/dbraw/zinc/91/52/03/572915203.db2.gz ZULRGTPNSDSKNU-UHFFFAOYSA-N 0 0 169.249 2.094 10 0 AEAERN C=C=CC[C@@H]1CCCC1=O 196971967 572915501 /nfs/dbraw/zinc/91/55/01/572915501.db2.gz YAMMQCKJIGFNPQ-MRVPVSSYSA-N 0 0 136.194 2.087 10 0 AEAERN CCCCC(=O)c1c(C)ccnc1N 86315068 572915567 /nfs/dbraw/zinc/91/55/67/572915567.db2.gz SJUMKFIFMTZNPU-UHFFFAOYSA-N 0 0 192.262 2.345 10 0 AEAERN C/C=C/[C@@](C)(CO)Cc1ccco1 238047164 572915559 /nfs/dbraw/zinc/91/55/59/572915559.db2.gz SSZNRSBEQQVAGH-ZXCPCRMDSA-N 0 0 180.247 2.397 10 0 AEAERN FCCCCN1CCC[C@@H]1C(F)F 308188502 572915848 /nfs/dbraw/zinc/91/58/48/572915848.db2.gz LLCUYAKTGRGIHA-MRVPVSSYSA-N 0 0 195.228 2.466 10 0 AEAERN c1ccc(-c2cnc3c(c2)C[NH2+]C3)cc1 238043206 572915757 /nfs/dbraw/zinc/91/57/57/572915757.db2.gz OFVYAOPDRZDXGN-UHFFFAOYSA-N 0 0 196.253 2.352 10 0 AEAERN C=C=CCC[C@@H]1CCCC1=O 196972187 572915775 /nfs/dbraw/zinc/91/57/75/572915775.db2.gz LRMYAHHGCLKHMD-SECBINFHSA-N 0 0 150.221 2.477 10 0 AEAERN c1ccc(C2=[NH+]CCc3[nH]ccc32)cc1 238044082 572916161 /nfs/dbraw/zinc/91/61/61/572916161.db2.gz HQONLTYXZWQXTN-UHFFFAOYSA-N 0 0 196.253 2.408 10 0 AEAERN C=CC(=O)NC1=Cc2ccccc2CC1 238038833 572916171 /nfs/dbraw/zinc/91/61/71/572916171.db2.gz UYHYOCGMXGPBIF-UHFFFAOYSA-N 0 0 199.253 2.276 10 0 AEAERN C=CC(=O)NCSc1ccccc1 238039289 572916394 /nfs/dbraw/zinc/91/63/94/572916394.db2.gz VWYKRAFWMUHPDB-UHFFFAOYSA-N 0 0 193.271 2.038 10 0 AEAERN CCCC[C@H](CO)[C@H](CO)C(C)C 116672416 572916445 /nfs/dbraw/zinc/91/64/45/572916445.db2.gz DUFOXNKUQQFRNV-GHMZBOCLSA-N 0 0 188.311 2.050 10 0 AEAERN c1cc2c3c(c1)-c1n[nH]cc1C[C@@H]3CN2 238048441 572916474 /nfs/dbraw/zinc/91/64/74/572916474.db2.gz DMPIEZHOHBPCNM-SSDOTTSWSA-N 0 0 197.241 2.142 10 0 AEAERN C/C(CCCCO)=C1\CCC[C@H]1O 238039195 572916509 /nfs/dbraw/zinc/91/65/09/572916509.db2.gz LQIOYVQFERLTEB-DWOQACPDSA-N 0 0 184.279 2.010 10 0 AEAERN COCC[C@H](CO)c1ccccc1C 86337193 572916618 /nfs/dbraw/zinc/91/66/18/572916618.db2.gz JTGYIVATRFBZKU-LLVKDONJSA-N 0 0 194.274 2.107 10 0 AEAERN CC1=CCc2ncccc21 72231179 572916685 /nfs/dbraw/zinc/91/66/85/572916685.db2.gz XUKJBAFWRDBCLW-UHFFFAOYSA-N 0 0 131.178 2.041 10 0 AEAERN C/C(CCCCO)=C1\CCC[C@@H]1O 238039166 572916749 /nfs/dbraw/zinc/91/67/49/572916749.db2.gz LQIOYVQFERLTEB-JUDLJHIGSA-N 0 0 184.279 2.010 10 0 AEAERN CC(C)(C)C/C=C/CCC(N)=O 238084788 572916848 /nfs/dbraw/zinc/91/68/48/572916848.db2.gz UNXAOKQMXNNTBU-GQCTYLIASA-N 0 0 169.268 2.244 10 0 AEAERN C=C=CCC[C@H]1CCCC1=O 196972195 572916965 /nfs/dbraw/zinc/91/69/65/572916965.db2.gz LRMYAHHGCLKHMD-VIFPVBQESA-N 0 0 150.221 2.477 10 0 AEAERN CCCC[C@@H](CO)[C@H](CO)C(C)C 116672415 572917296 /nfs/dbraw/zinc/91/72/96/572917296.db2.gz DUFOXNKUQQFRNV-WDEREUQCSA-N 0 0 188.311 2.050 10 0 AEAERN CCCC[C@H]([NH3+])c1nccn1CC 86322783 572918839 /nfs/dbraw/zinc/91/88/39/572918839.db2.gz JCXDFRXHZMYUHA-VIFPVBQESA-N 0 0 181.283 2.093 10 0 AEAERN CCOCSc1cc(C)nc(C)n1 308188745 572917338 /nfs/dbraw/zinc/91/73/38/572917338.db2.gz LUMGOCWBMFBFQT-UHFFFAOYSA-N 0 0 198.291 2.180 10 0 AEAERN c1ccc2c(c1)C[NH2+]Cc1cccn1C2 238042483 572917370 /nfs/dbraw/zinc/91/73/70/572917370.db2.gz TYJVDFRFIDEMNR-UHFFFAOYSA-N 0 0 198.269 2.140 10 0 AEAERN C=C=CC[C@H]1CCCC1=O 196971975 572917420 /nfs/dbraw/zinc/91/74/20/572917420.db2.gz YAMMQCKJIGFNPQ-QMMMGPOBSA-N 0 0 136.194 2.087 10 0 AEAERN C[C@](C[NH3+])(C(=O)[O-])C1CCCCCC1 235402255 572917444 /nfs/dbraw/zinc/91/74/44/572917444.db2.gz OMUPCUYMOPEFPI-LLVKDONJSA-N 0 0 199.294 2.006 10 0 AEAERN CCCCc1ncc(C(C)=O)c(C)n1 86323932 572918923 /nfs/dbraw/zinc/91/89/23/572918923.db2.gz KDUPSIMIULBXIZ-UHFFFAOYSA-N 0 0 192.262 2.330 10 0 AEAERN CC(=O)C/C=C/[C@H](O)c1ccccc1 238055527 572918879 /nfs/dbraw/zinc/91/88/79/572918879.db2.gz QATCLJMWWKSUFI-LHXVZLOVSA-N 0 0 190.242 2.255 10 0 AEAERN c1ccc2c(c1)CNc1cncnc1N2 238048202 572917704 /nfs/dbraw/zinc/91/77/04/572917704.db2.gz USRLYLFEMBPQDD-UHFFFAOYSA-N 0 0 198.229 2.146 10 0 AEAERN c1cc2c3c(c1)-c1n[nH]cc1C[C@H]3CN2 238048412 572917778 /nfs/dbraw/zinc/91/77/78/572917778.db2.gz DMPIEZHOHBPCNM-ZETCQYMHSA-N 0 0 197.241 2.142 10 0 AEAERN CCCC[C@@H]([NH3+])c1nccn1CCC 86323129 572917790 /nfs/dbraw/zinc/91/77/90/572917790.db2.gz WSRFKLZWWYLUJR-SNVBAGLBSA-N 0 0 195.310 2.483 10 0 AEAERN c1cncc(-c2ccc3c(c2)C[NH2+]C3)c1 238042758 572917795 /nfs/dbraw/zinc/91/77/95/572917795.db2.gz RFUFFQFRZJAVCS-UHFFFAOYSA-N 0 0 196.253 2.352 10 0 AEAERN CC(C)N1CCC(=O)[C@@H]1[C@]1(C)C[C@@H]1C 714605242 572917909 /nfs/dbraw/zinc/91/79/09/572917909.db2.gz XOIIWCORLNCTIM-MVWJERBFSA-N 0 0 195.306 2.084 10 0 AEAERN CCCCc1noc(NCC(C)C)n1 86323884 572917931 /nfs/dbraw/zinc/91/79/31/572917931.db2.gz VBLDFFLPSSEENJ-UHFFFAOYSA-N 0 0 197.282 2.480 10 0 AEAERN CCCCc1ncc([C@H](C)O)c(C)n1 86324036 572917976 /nfs/dbraw/zinc/91/79/76/572917976.db2.gz QSOBPQPDXRKHHS-VIFPVBQESA-N 0 0 194.278 2.181 10 0 AEAERN CC[C@@H](C[C@H]1CCOC1)C(C)=O 86353800 572920092 /nfs/dbraw/zinc/92/00/92/572920092.db2.gz IHNIUJDLZNZPRX-ZJUUUORDSA-N 0 0 170.252 2.028 10 0 AEAERN C/C=C/c1nnc([C@H](N)CC(C)C)o1 238068588 572920094 /nfs/dbraw/zinc/92/00/94/572920094.db2.gz CHYSNLRUPSSDJU-WTSVBCDHSA-N 0 0 195.266 2.149 10 0 AEAERN CCCCc1ncc(C[NH2+]C)s1 86323244 572918065 /nfs/dbraw/zinc/91/80/65/572918065.db2.gz MTWVTZAVFYKTST-UHFFFAOYSA-N 0 0 184.308 2.205 10 0 AEAERN CCCCc1nc(C)c(C[NH3+])s1 86323835 572918071 /nfs/dbraw/zinc/91/80/71/572918071.db2.gz UGUGPROPHFRROA-UHFFFAOYSA-N 0 0 184.308 2.253 10 0 AEAERN CCCCc1ncc([C@H](C)[NH3+])c(C)n1 86324014 572918190 /nfs/dbraw/zinc/91/81/90/572918190.db2.gz ZSZJQPARMKWZSI-QMMMGPOBSA-N 0 0 193.294 2.147 10 0 AEAERN CCCC[C@@H]([NH3+])c1ccnn1CCC 86322894 572918198 /nfs/dbraw/zinc/91/81/98/572918198.db2.gz CONFGFMRAGFLGZ-SNVBAGLBSA-N 0 0 195.310 2.483 10 0 AEAERN CCOC[C@H](O)CC1(C)CCCC1 308189823 572920267 /nfs/dbraw/zinc/92/02/67/572920267.db2.gz INZDBHHFGUREGA-SNVBAGLBSA-N 0 0 186.295 2.354 10 0 AEAERN CC(=O)C/C=C/[C@@H](O)c1ccccc1 238055387 572918354 /nfs/dbraw/zinc/91/83/54/572918354.db2.gz QATCLJMWWKSUFI-BIPYJSMBSA-N 0 0 190.242 2.255 10 0 AEAERN C[C@@H]1C[C@@](O)(CCC2CC2)CCO1 235411246 572918373 /nfs/dbraw/zinc/91/83/73/572918373.db2.gz MTZVRZIFVUZQIN-MWLCHTKSSA-N 0 0 184.279 2.107 10 0 AEAERN Cc1nc([C@@H]([NH3+])CCC(C)C)co1 308189291 572918429 /nfs/dbraw/zinc/91/84/29/572918429.db2.gz MKUZELKTMWYJKO-VIFPVBQESA-N 0 0 182.267 2.419 10 0 AEAERN CC(C)C=CC=O 211580523 572918437 /nfs/dbraw/zinc/91/84/37/572918437.db2.gz SJLSPBPWJQAVPK-HYXAFXHYSA-N 0 0 98.145 2.024 10 0 AEAERN Cc1cn(CCCCCO)cc1C 308190020 572918475 /nfs/dbraw/zinc/91/84/75/572918475.db2.gz MYFLMVWTUGOGDN-UHFFFAOYSA-N 0 0 181.279 2.268 10 0 AEAERN CCCC[C@H]([NH3+])c1c(C)ccnc1N 86322753 572918476 /nfs/dbraw/zinc/91/84/76/572918476.db2.gz AHMDTLSWJIODBT-VIFPVBQESA-N 0 0 193.294 2.162 10 0 AEAERN C[C@@H]1C[C@@](O)(CCC2CC2)CS1 235411335 572918495 /nfs/dbraw/zinc/91/84/95/572918495.db2.gz PMOMIDAWDDZJCE-SCZZXKLOSA-N 0 0 186.320 2.433 10 0 AEAERN CC(C)N1CCC(=O)[C@@H]1[C@@]1(C)C[C@@H]1C 714605246 572918530 /nfs/dbraw/zinc/91/85/30/572918530.db2.gz XOIIWCORLNCTIM-WCQGTBRESA-N 0 0 195.306 2.084 10 0 AEAERN CCCCc1noc(NC(C)C)n1 86323875 572918582 /nfs/dbraw/zinc/91/85/82/572918582.db2.gz GAPFNWILBSSFSL-UHFFFAOYSA-N 0 0 183.255 2.233 10 0 AEAERN CCCCc1nc(C[NH2+]C)cs1 86323340 572918607 /nfs/dbraw/zinc/91/86/07/572918607.db2.gz NVBOUUKDXYNVFS-UHFFFAOYSA-N 0 0 184.308 2.205 10 0 AEAERN C/C=C/[C@](C)(CO)Cc1ccco1 238065826 572918642 /nfs/dbraw/zinc/91/86/42/572918642.db2.gz SSZNRSBEQQVAGH-GQOHGMTASA-N 0 0 180.247 2.397 10 0 AEAERN CCC(C)(C)[C@@H](O)COC1CCC1 308189771 572918720 /nfs/dbraw/zinc/91/87/20/572918720.db2.gz IKCVMOWQIPWVFH-JTQLQIEISA-N 0 0 186.295 2.353 10 0 AEAERN CCCCc1noc([C@H](C)C(C)=O)n1 86324243 572918735 /nfs/dbraw/zinc/91/87/35/572918735.db2.gz KKSGSQWPKAECHH-SSDOTTSWSA-N 0 0 196.250 2.105 10 0 AEAERN CCCC[C@H]([NH3+])c1ccnn1CC 86322694 572918742 /nfs/dbraw/zinc/91/87/42/572918742.db2.gz SRUIPNIFEGNJNA-VIFPVBQESA-N 0 0 181.283 2.093 10 0 AEAERN CC(=O)C/C=C(/C)[C@H](O)c1ccco1 238055200 572918754 /nfs/dbraw/zinc/91/87/54/572918754.db2.gz KMKIYAZHJBZPFC-OFSNVTPPSA-N 0 0 194.230 2.238 10 0 AEAERN C/C=C/c1ccccc1O[C@H](C)CO 238068196 572918782 /nfs/dbraw/zinc/91/87/82/572918782.db2.gz FHGYEWMONSHDHG-QLCVYAKKSA-N 0 0 192.258 2.479 10 0 AEAERN CC(C)C[C@H](C)C(=O)[C@@H](O)C(C)C 308189977 572918800 /nfs/dbraw/zinc/91/88/00/572918800.db2.gz MWQAEIFAQYCMTK-UWVGGRQHSA-N 0 0 186.295 2.255 10 0 AEAERN CCCC[C@H]([NH3+])c1ccnn1CCC 86322891 572918853 /nfs/dbraw/zinc/91/88/53/572918853.db2.gz CONFGFMRAGFLGZ-JTQLQIEISA-N 0 0 195.310 2.483 10 0 AEAERN C/C=C/[C@H](C)C/C=C/CCC(N)=O 238049597 572918928 /nfs/dbraw/zinc/91/89/28/572918928.db2.gz QCRMCKORZLUQPA-AJTWWRCPSA-N 0 0 181.279 2.410 10 0 AEAERN C[C@@H]1SCC[C@]1(O)CC1CC1 235400436 572918989 /nfs/dbraw/zinc/91/89/89/572918989.db2.gz SWGJSGMEJNVQLO-CBAPKCEASA-N 0 0 172.293 2.043 10 0 AEAERN CCCC[C@H]([NH3+])c1nccn1CCC 86323126 572919006 /nfs/dbraw/zinc/91/90/06/572919006.db2.gz WSRFKLZWWYLUJR-JTQLQIEISA-N 0 0 195.310 2.483 10 0 AEAERN C/C=C/[C@H](O)CCC1(O)CCCC1 238055772 572919053 /nfs/dbraw/zinc/91/90/53/572919053.db2.gz KWGDTTWCSJPWEZ-FWYAXHSGSA-N 0 0 184.279 2.009 10 0 AEAERN CCCC[C@@H]([NH3+])c1ccnn1CC 86322697 572919054 /nfs/dbraw/zinc/91/90/54/572919054.db2.gz SRUIPNIFEGNJNA-SECBINFHSA-N 0 0 181.283 2.093 10 0 AEAERN CCC[C@H](C)[C@H]1CCC[C@@H](CO)O1 308189513 572919063 /nfs/dbraw/zinc/91/90/63/572919063.db2.gz IGAMRZNZPHWMRQ-GARJFASQSA-N 0 0 186.295 2.353 10 0 AEAERN 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188.311 2.192 10 0 AEAERN CC(C)[C@@H](CCCCCO)[C@H](C)O 86362746 572923770 /nfs/dbraw/zinc/92/37/70/572923770.db2.gz ILXSZTSXRZEMHV-WDEREUQCSA-N 0 0 188.311 2.192 10 0 AEAERN CCc1ccnn1-c1cccc(N)c1 214490431 572923794 /nfs/dbraw/zinc/92/37/94/572923794.db2.gz WEXDNVIAJQDBGU-UHFFFAOYSA-N 0 0 187.246 2.017 10 0 AEAERN CC(C)[C@@H](Cc1cscn1)[C@H](C)O 86363012 572924164 /nfs/dbraw/zinc/92/41/64/572924164.db2.gz LHQNBMVDZDEIPM-WCBMZHEXSA-N 0 0 199.319 2.339 10 0 AEAERN CC(C)[C@@H](CCCCCO)[C@@H](C)O 86362743 572924923 /nfs/dbraw/zinc/92/49/23/572924923.db2.gz ILXSZTSXRZEMHV-GHMZBOCLSA-N 0 0 188.311 2.192 10 0 AEAERN CC[C@@H](O)[C@@H](C)Cc1cnc(C)s1 86363687 572924925 /nfs/dbraw/zinc/92/49/25/572924925.db2.gz LIQPNDSNLLDLLQ-OIBJUYFYSA-N 0 0 199.319 2.401 10 0 AEAERN CC[C@@H](O)[C@@H](C)Cc1cccc(C)n1 86363519 572923867 /nfs/dbraw/zinc/92/38/67/572923867.db2.gz DJQGICNVJFNLEB-JOYOIKCWSA-N 0 0 193.290 2.340 10 0 AEAERN CCC(=CC(=O)N[C@@H]1C[C@@H]1C)CC 308194775 572923871 /nfs/dbraw/zinc/92/38/71/572923871.db2.gz QDZFWJZPBYCPHV-WCBMZHEXSA-N 0 0 181.279 2.257 10 0 AEAERN Cc1cccc(CC[C@H](O)C2CC2)n1 86363168 572923886 /nfs/dbraw/zinc/92/38/86/572923886.db2.gz RBTMKDLCPOGINI-LBPRGKRZSA-N 0 0 191.274 2.094 10 0 AEAERN C[C@@H](CCc1cccnc1)[C@@H](C)O 86360164 572923910 /nfs/dbraw/zinc/92/39/10/572923910.db2.gz FSAUQNSIMHFLKF-VHSXEESVSA-N 0 0 179.263 2.031 10 0 AEAERN CC(C)=CCC[C@H](C)[C@@](C)(O)CO 308194504 572923919 /nfs/dbraw/zinc/92/39/19/572923919.db2.gz LOVSDSUAXHZBBP-QWRGUYRKSA-N 0 0 186.295 2.112 10 0 AEAERN CC[C@H](O)[C@@H](C)Cc1cccc(C)n1 86363518 572923945 /nfs/dbraw/zinc/92/39/45/572923945.db2.gz DJQGICNVJFNLEB-CABZTGNLSA-N 0 0 193.290 2.340 10 0 AEAERN O[C@@H](CCCOC(F)(F)F)C1CC1 86363336 572923998 /nfs/dbraw/zinc/92/39/98/572923998.db2.gz ZDPLIQYIMRQAHX-ZETCQYMHSA-N 0 0 198.184 2.074 10 0 AEAERN OCC[C@@H]1OCc2cc(Cl)ccc21 141133770 572924003 /nfs/dbraw/zinc/92/40/03/572924003.db2.gz XHVRWIWDBIVBIY-JTQLQIEISA-N 0 0 198.649 2.294 10 0 AEAERN CC[C@H](O)[C@H](C)Cc1ccccn1 86363711 572924006 /nfs/dbraw/zinc/92/40/06/572924006.db2.gz HCYWCKRJMIRRAK-KOLCDFICSA-N 0 0 179.263 2.031 10 0 AEAERN COC[C@H](O)CC1CCC(C)CC1 86362260 572924032 /nfs/dbraw/zinc/92/40/32/572924032.db2.gz HRAZUDSEDHGRDL-VQXHTEKXSA-N 0 0 186.295 2.210 10 0 AEAERN Cc1ccccc1NC1=NCCCO1 141201872 572924036 /nfs/dbraw/zinc/92/40/36/572924036.db2.gz NLFWARMOKKVAFV-UHFFFAOYSA-N 0 0 190.246 2.183 10 0 AEAERN CC[C@H](O)[C@@H](C)CCc1ccncc1 86363351 572924043 /nfs/dbraw/zinc/92/40/43/572924043.db2.gz IKEBKEZPHSQNLF-JQWIXIFHSA-N 0 0 193.290 2.421 10 0 AEAERN CC(C)[C@H](CCC(C)(C)O)[C@H](C)O 86362912 572924046 /nfs/dbraw/zinc/92/40/46/572924046.db2.gz JLOFUPCNSRKUCN-UWVGGRQHSA-N 0 0 188.311 2.191 10 0 AEAERN CSCCOc1cc(C)[nH+]c(C)c1 308194571 572924111 /nfs/dbraw/zinc/92/41/11/572924111.db2.gz QYYRHEVTTITXJP-UHFFFAOYSA-N 0 0 197.303 2.440 10 0 AEAERN CCC[C@H](O)[C@H](CC)[C@@H]1CCOC1 308194064 572924118 /nfs/dbraw/zinc/92/41/18/572924118.db2.gz PRUSZAIKTUGRGL-MXWKQRLJSA-N 0 0 186.295 2.210 10 0 AEAERN CC[C@@H](O)[C@@H](C)Cc1cscn1 86363726 572924130 /nfs/dbraw/zinc/92/41/30/572924130.db2.gz FLGKYZMEAIXFNF-IONNQARKSA-N 0 0 185.292 2.093 10 0 AEAERN CC(C)[C@H](O)CCc1ccncc1 86359556 572924158 /nfs/dbraw/zinc/92/41/58/572924158.db2.gz GGQAPUWAESYTEZ-LLVKDONJSA-N 0 0 179.263 2.031 10 0 AEAERN O[C@@H](CC[C@H]1CCCCO1)C1CC1 86363219 572924161 /nfs/dbraw/zinc/92/41/61/572924161.db2.gz CUKFZVLCUHHOIW-MNOVXSKESA-N 0 0 184.279 2.107 10 0 AEAERN CC[C@H](O)[C@@H](C)CCc1cccnc1 86363541 572924167 /nfs/dbraw/zinc/92/41/67/572924167.db2.gz OLQGUSWRGSVNRA-JQWIXIFHSA-N 0 0 193.290 2.421 10 0 AEAERN O[C@H](CCCOC(F)(F)F)C1CC1 86363334 572924181 /nfs/dbraw/zinc/92/41/81/572924181.db2.gz ZDPLIQYIMRQAHX-SSDOTTSWSA-N 0 0 198.184 2.074 10 0 AEAERN CC[C@@H](O)[C@H](C)CCc1ccncc1 86363359 572924198 /nfs/dbraw/zinc/92/41/98/572924198.db2.gz IKEBKEZPHSQNLF-ZYHUDNBSSA-N 0 0 193.290 2.421 10 0 AEAERN CC[C@@H](O)[C@H](C)CC1(O)CCCC1 86363477 572924211 /nfs/dbraw/zinc/92/42/11/572924211.db2.gz PTSRPTPZRBKBIZ-NXEZZACHSA-N 0 0 186.295 2.089 10 0 AEAERN CCC[C@H](O)[C@@H](CC)[C@@H]1CCOC1 308194065 572924937 /nfs/dbraw/zinc/92/49/37/572924937.db2.gz PRUSZAIKTUGRGL-VWYCJHECSA-N 0 0 186.295 2.210 10 0 AEAERN CC(C)[C@H](Cc1cscn1)[C@H](C)O 86363013 572924219 /nfs/dbraw/zinc/92/42/19/572924219.db2.gz LHQNBMVDZDEIPM-WPRPVWTQSA-N 0 0 199.319 2.339 10 0 AEAERN C[C@@H](O)[C@H](C)CCc1cccnc1 86360166 572924225 /nfs/dbraw/zinc/92/42/25/572924225.db2.gz FSAUQNSIMHFLKF-NXEZZACHSA-N 0 0 179.263 2.031 10 0 AEAERN C[C@@H](O)[C@H](C)CCc1ccccn1 86360281 572924259 /nfs/dbraw/zinc/92/42/59/572924259.db2.gz ILABZWWYINSKEX-NXEZZACHSA-N 0 0 179.263 2.031 10 0 AEAERN Cc1cccc(CC[C@@H](O)C(C)C)n1 86359462 572924266 /nfs/dbraw/zinc/92/42/66/572924266.db2.gz HOMGCKYZOPWHRT-GFCCVEGCSA-N 0 0 193.290 2.340 10 0 AEAERN CC(C)[C@@H](O)CC[C@@H]1CCCCO1 86359512 572924286 /nfs/dbraw/zinc/92/42/86/572924286.db2.gz JVIIUDFSVBHFLN-QWRGUYRKSA-N 0 0 186.295 2.353 10 0 AEAERN Cc1cccc(CC[C@H](O)C(C)C)n1 86359461 572924293 /nfs/dbraw/zinc/92/42/93/572924293.db2.gz HOMGCKYZOPWHRT-LBPRGKRZSA-N 0 0 193.290 2.340 10 0 AEAERN CC(C)[C@H](Cc1cscn1)[C@@H](C)O 86363010 572924300 /nfs/dbraw/zinc/92/43/00/572924300.db2.gz LHQNBMVDZDEIPM-SCZZXKLOSA-N 0 0 199.319 2.339 10 0 AEAERN CC[C@H](O)[C@H](C)Cc1cccnc1 86363656 572924306 /nfs/dbraw/zinc/92/43/06/572924306.db2.gz KOJRNYPTOJQVHV-KOLCDFICSA-N 0 0 179.263 2.031 10 0 AEAERN C[C@H](O)[C@@H](C)CCc1cccnc1 86360168 572924309 /nfs/dbraw/zinc/92/43/09/572924309.db2.gz FSAUQNSIMHFLKF-UWVGGRQHSA-N 0 0 179.263 2.031 10 0 AEAERN OCCCC[C@H]1CCCCC[C@H]1O 86360447 572924324 /nfs/dbraw/zinc/92/43/24/572924324.db2.gz PNMYWXLKQKJUMX-GHMZBOCLSA-N 0 0 186.295 2.090 10 0 AEAERN C[C@@H](CCc1ccccn1)[C@@H](C)O 86360279 572924337 /nfs/dbraw/zinc/92/43/37/572924337.db2.gz ILABZWWYINSKEX-VHSXEESVSA-N 0 0 179.263 2.031 10 0 AEAERN C[C@H](O)[C@H](C)CCc1ccccn1 86360284 572924344 /nfs/dbraw/zinc/92/43/44/572924344.db2.gz ILABZWWYINSKEX-ZJUUUORDSA-N 0 0 179.263 2.031 10 0 AEAERN OCCCCC[C@H]1CCCC[C@H]1O 86359737 572924941 /nfs/dbraw/zinc/92/49/41/572924941.db2.gz ORVCOFKMPXPZPE-WDEREUQCSA-N 0 0 186.295 2.090 10 0 AEAERN CC(C)[C@@H](Cc1cccnc1)[C@@H](C)O 86362927 572924367 /nfs/dbraw/zinc/92/43/67/572924367.db2.gz OEDOXLKDZWHPLR-ZYHUDNBSSA-N 0 0 193.290 2.277 10 0 AEAERN CC(C)[C@@H](CCC(C)(C)O)[C@H](C)O 86362910 572924376 /nfs/dbraw/zinc/92/43/76/572924376.db2.gz JLOFUPCNSRKUCN-VHSXEESVSA-N 0 0 188.311 2.191 10 0 AEAERN CC(C)[C@@H](CCC(C)(C)O)[C@@H](C)O 86362905 572924379 /nfs/dbraw/zinc/92/43/79/572924379.db2.gz JLOFUPCNSRKUCN-NXEZZACHSA-N 0 0 188.311 2.191 10 0 AEAERN CC[C@H](O)[C@H](C)CCc1ccccn1 86363648 572924387 /nfs/dbraw/zinc/92/43/87/572924387.db2.gz QTZVZYAHHFNXDM-PWSUYJOCSA-N 0 0 193.290 2.421 10 0 AEAERN CO[C@@H]1CCC[C@H](C[C@H](O)C2CC2)C1 86363131 572924395 /nfs/dbraw/zinc/92/43/95/572924395.db2.gz ZGNWWYQJVCCTBD-WCQGTBRESA-N 0 0 198.306 2.353 10 0 AEAERN CC(C)[C@H](C[C@H]1CCOC1)[C@@H](C)O 86362699 572924406 /nfs/dbraw/zinc/92/44/06/572924406.db2.gz AEWZWUSXVJNEBD-MXWKQRLJSA-N 0 0 186.295 2.066 10 0 AEAERN CCC(=CC(=O)N[C@H]1C[C@H]1C)CC 308194774 572924409 /nfs/dbraw/zinc/92/44/09/572924409.db2.gz QDZFWJZPBYCPHV-SCZZXKLOSA-N 0 0 181.279 2.257 10 0 AEAERN C[C@@H](O)[C@H](C)CCc1ccncc1 86359921 572924420 /nfs/dbraw/zinc/92/44/20/572924420.db2.gz UXEKGTIANLGKRJ-NXEZZACHSA-N 0 0 179.263 2.031 10 0 AEAERN O[C@H](CCC1(O)CCCCC1)C1CC1 86363070 572924429 /nfs/dbraw/zinc/92/44/29/572924429.db2.gz IAQSYLFAHULEAB-LLVKDONJSA-N 0 0 198.306 2.233 10 0 AEAERN C[C@@H](CCc1ccncc1)[C@@H](C)O 86359920 572924461 /nfs/dbraw/zinc/92/44/61/572924461.db2.gz UXEKGTIANLGKRJ-VHSXEESVSA-N 0 0 179.263 2.031 10 0 AEAERN O[C@H](CC[C@@H]1CCCCO1)C1CC1 86363221 572924481 /nfs/dbraw/zinc/92/44/81/572924481.db2.gz CUKFZVLCUHHOIW-WDEREUQCSA-N 0 0 184.279 2.107 10 0 AEAERN O[C@H](CCCc1cccnc1)C1CC1 86363192 572924494 /nfs/dbraw/zinc/92/44/94/572924494.db2.gz ATSNPRDYWFLONC-GFCCVEGCSA-N 0 0 191.274 2.175 10 0 AEAERN CC[C@H](O)[C@H](C)CCc1ccncc1 86363357 572924506 /nfs/dbraw/zinc/92/45/06/572924506.db2.gz IKEBKEZPHSQNLF-PWSUYJOCSA-N 0 0 193.290 2.421 10 0 AEAERN CC[C@@H](O)[C@H](C)Cc1ccncc1 86363666 572925326 /nfs/dbraw/zinc/92/53/26/572925326.db2.gz LVFCXXLTXVFKTA-MWLCHTKSSA-N 0 0 179.263 2.031 10 0 AEAERN CC(=O)[C@H]1C[C@H]1COC(C)(C)C 238083895 572924513 /nfs/dbraw/zinc/92/45/13/572924513.db2.gz AMKCSNMSBIRQCA-DTWKUNHWSA-N 0 0 170.252 2.027 10 0 AEAERN CC(C)[C@@H](Cc1cccnc1)[C@H](C)O 86362932 572924514 /nfs/dbraw/zinc/92/45/14/572924514.db2.gz OEDOXLKDZWHPLR-CMPLNLGQSA-N 0 0 193.290 2.277 10 0 AEAERN CC[C@@H](O)[C@@H](C)CCc1ccncc1 86363355 572924520 /nfs/dbraw/zinc/92/45/20/572924520.db2.gz IKEBKEZPHSQNLF-CMPLNLGQSA-N 0 0 193.290 2.421 10 0 AEAERN CC[C@@H](O)[C@H](C)Cc1cnc(C)s1 86363690 572924535 /nfs/dbraw/zinc/92/45/35/572924535.db2.gz LIQPNDSNLLDLLQ-GMSGAONNSA-N 0 0 199.319 2.401 10 0 AEAERN CCCc1cccnc1F 141197942 572924539 /nfs/dbraw/zinc/92/45/39/572924539.db2.gz YUUNOHVVMMOLCD-UHFFFAOYSA-N 0 0 139.173 2.173 10 0 AEAERN CNc1csc(-c2ccncc2)n1 141187005 572925328 /nfs/dbraw/zinc/92/53/28/572925328.db2.gz OUQQUTXNQDYKMW-UHFFFAOYSA-N 0 0 191.259 2.247 10 0 AEAERN CC[C@H](O)[C@@H](C)Cc1cccnc1 86363652 572924554 /nfs/dbraw/zinc/92/45/54/572924554.db2.gz KOJRNYPTOJQVHV-ONGXEEELSA-N 0 0 179.263 2.031 10 0 AEAERN CC[C@H](O)[C@H](C)CC1(O)CCCC1 86363474 572924571 /nfs/dbraw/zinc/92/45/71/572924571.db2.gz PTSRPTPZRBKBIZ-ZJUUUORDSA-N 0 0 186.295 2.089 10 0 AEAERN OCCCC[C@@H]1CCCCC[C@@H]1O 86360452 572924575 /nfs/dbraw/zinc/92/45/75/572924575.db2.gz PNMYWXLKQKJUMX-QWRGUYRKSA-N 0 0 186.295 2.090 10 0 AEAERN CC[C@@H](O)[C@@H](C)Cc1ccccn1 86363708 572925333 /nfs/dbraw/zinc/92/53/33/572925333.db2.gz HCYWCKRJMIRRAK-GXSJLCMTSA-N 0 0 179.263 2.031 10 0 AEAERN CC(C)[C@H](O)CCc1cscn1 86359601 572924589 /nfs/dbraw/zinc/92/45/89/572924589.db2.gz MANGIGQBYQVXOR-SECBINFHSA-N 0 0 185.292 2.093 10 0 AEAERN CC(C)[C@@H](O)CCc1ccccn1 86359591 572924600 /nfs/dbraw/zinc/92/46/00/572924600.db2.gz PAQIQHMTKZESSF-NSHDSACASA-N 0 0 179.263 2.031 10 0 AEAERN CC[C@@H](O)[C@@H](C)CC1(O)CCCC1 86363472 572924607 /nfs/dbraw/zinc/92/46/07/572924607.db2.gz PTSRPTPZRBKBIZ-VHSXEESVSA-N 0 0 186.295 2.089 10 0 AEAERN CC1(C)C[C@H]1C(=O)OCC1CCC1 308193177 572924728 /nfs/dbraw/zinc/92/47/28/572924728.db2.gz PBCKMYUWQXUMRA-VIFPVBQESA-N 0 0 182.263 2.376 10 0 AEAERN OCCCCC[C@H]1CCCC[C@@H]1O 86359735 572924621 /nfs/dbraw/zinc/92/46/21/572924621.db2.gz ORVCOFKMPXPZPE-QWRGUYRKSA-N 0 0 186.295 2.090 10 0 AEAERN OCCCC[C@@H]1CCCCC[C@H]1O 86360449 572924637 /nfs/dbraw/zinc/92/46/37/572924637.db2.gz PNMYWXLKQKJUMX-WDEREUQCSA-N 0 0 186.295 2.090 10 0 AEAERN CC(C)[C@H](Cc1cccnc1)[C@@H](C)O 86362929 572924659 /nfs/dbraw/zinc/92/46/59/572924659.db2.gz OEDOXLKDZWHPLR-PWSUYJOCSA-N 0 0 193.290 2.277 10 0 AEAERN CC[C@@H](O)CCCOC(F)(F)F 86359362 572925338 /nfs/dbraw/zinc/92/53/38/572925338.db2.gz RRUQPTALVVFVRG-ZCFIWIBFSA-N 0 0 186.173 2.074 10 0 AEAERN CC[C@@H](O)[C@H](C)Cc1cccnc1 86363658 572924674 /nfs/dbraw/zinc/92/46/74/572924674.db2.gz KOJRNYPTOJQVHV-MWLCHTKSSA-N 0 0 179.263 2.031 10 0 AEAERN CC(C)[C@@H](O)CCCc1cccnc1 86359490 572924706 /nfs/dbraw/zinc/92/47/06/572924706.db2.gz ZHHCUVQVSXILNU-LBPRGKRZSA-N 0 0 193.290 2.421 10 0 AEAERN CC[C@H](O)[C@@H](C)Cc1cscn1 86363724 572924746 /nfs/dbraw/zinc/92/47/46/572924746.db2.gz FLGKYZMEAIXFNF-CBAPKCEASA-N 0 0 185.292 2.093 10 0 AEAERN CC[C@@H](O)[C@H](C)Cc1ccccn1 86363713 572924751 /nfs/dbraw/zinc/92/47/51/572924751.db2.gz HCYWCKRJMIRRAK-MWLCHTKSSA-N 0 0 179.263 2.031 10 0 AEAERN O[C@@H](CCCc1cccnc1)C1CC1 86363190 572924766 /nfs/dbraw/zinc/92/47/66/572924766.db2.gz ATSNPRDYWFLONC-LBPRGKRZSA-N 0 0 191.274 2.175 10 0 AEAERN CC(C)[C@H](CCC(C)(C)O)[C@@H](C)O 86362907 572924769 /nfs/dbraw/zinc/92/47/69/572924769.db2.gz JLOFUPCNSRKUCN-ZJUUUORDSA-N 0 0 188.311 2.191 10 0 AEAERN CCc1cnn(-c2cccc(N)c2)c1 214490357 572924776 /nfs/dbraw/zinc/92/47/76/572924776.db2.gz BFIMQYFVSDDGRX-UHFFFAOYSA-N 0 0 187.246 2.017 10 0 AEAERN CC(C)[C@@H](Cc1cscn1)[C@@H](C)O 86363009 572924778 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/nfs/dbraw/zinc/92/52/52/572925252.db2.gz ZJILEPOLNJALLP-SNVBAGLBSA-N 0 0 186.295 2.089 10 0 AEAERN CC(C)[C@H](Cc1cccnc1)[C@H](C)O 86362934 572925262 /nfs/dbraw/zinc/92/52/62/572925262.db2.gz OEDOXLKDZWHPLR-JQWIXIFHSA-N 0 0 193.290 2.277 10 0 AEAERN COCC[C@H](CO)c1ccc(C)cc1 86364339 572925271 /nfs/dbraw/zinc/92/52/71/572925271.db2.gz IINBDNQJKDGLJR-GFCCVEGCSA-N 0 0 194.274 2.107 10 0 AEAERN CC(C)[C@H](Cc1ccncc1)[C@@H](C)O 86362939 572925273 /nfs/dbraw/zinc/92/52/73/572925273.db2.gz XIPCGMUDVVPIJK-PWSUYJOCSA-N 0 0 193.290 2.277 10 0 AEAERN C[C@H](O)[C@H](C)CCc1cccnc1 86360171 572925278 /nfs/dbraw/zinc/92/52/78/572925278.db2.gz FSAUQNSIMHFLKF-ZJUUUORDSA-N 0 0 179.263 2.031 10 0 AEAERN CC[C@@H](O)[C@@H](C)Cc1cccnc1 86363654 572925285 /nfs/dbraw/zinc/92/52/85/572925285.db2.gz KOJRNYPTOJQVHV-GXSJLCMTSA-N 0 0 179.263 2.031 10 0 AEAERN CC(C)[C@@H](Cc1ccccn1)[C@H](C)O 86363000 572925288 /nfs/dbraw/zinc/92/52/88/572925288.db2.gz HGHIQMVWSBANHZ-CMPLNLGQSA-N 0 0 193.290 2.277 10 0 AEAERN 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CC(C)(C)OC(=O)SCCCO 238093310 572929226 /nfs/dbraw/zinc/92/92/26/572929226.db2.gz BUEYPRFETJVFGW-UHFFFAOYSA-N 0 0 192.280 2.037 10 0 AEAERN CCON(C)C(=O)C(C)(CC)CC 308200505 572929227 /nfs/dbraw/zinc/92/92/27/572929227.db2.gz XVGSGAVKONURFV-UHFFFAOYSA-N 0 0 187.283 2.223 10 0 AEAERN CC[C@H](C)[C@H](O)Cc1cccnc1 86389445 572929274 /nfs/dbraw/zinc/92/92/74/572929274.db2.gz LVCJYSDYJGZSGC-GXSJLCMTSA-N 0 0 179.263 2.031 10 0 AEAERN CC[C@@H](C)[C@@H](O)COc1ccccc1 86389457 572929287 /nfs/dbraw/zinc/92/92/87/572929287.db2.gz GSODAAMIALYWHZ-PWSUYJOCSA-N 0 0 194.274 2.472 10 0 AEAERN CC(C)c1nc2cc(F)ccc2n1N 75974990 572929327 /nfs/dbraw/zinc/92/93/27/572929327.db2.gz AEKUAOKNDQLAFC-UHFFFAOYSA-N 0 0 193.225 2.013 10 0 AEAERN CCO[C@@H](C)C(=O)[C@H](C)CC 86388984 572929333 /nfs/dbraw/zinc/92/93/33/572929333.db2.gz CLNBSSFAXZXXDO-SFYZADRCSA-N 0 0 158.241 2.027 10 0 AEAERN CC[C@@H](C)[C@H](O)Cc1cccnc1 86389442 572929337 /nfs/dbraw/zinc/92/93/37/572929337.db2.gz LVCJYSDYJGZSGC-MWLCHTKSSA-N 0 0 179.263 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/nfs/dbraw/zinc/93/00/24/572930024.db2.gz GSODAAMIALYWHZ-CMPLNLGQSA-N 0 0 194.274 2.472 10 0 AEAERN CC[C@H](C)[C@H](O)Cc1nc(C)cs1 86389475 572930121 /nfs/dbraw/zinc/93/01/21/572930121.db2.gz AOQJILWIQJVSMH-IONNQARKSA-N 0 0 199.319 2.401 10 0 AEAERN Cc1cccc(OCCCF)c1N 88023984 572930238 /nfs/dbraw/zinc/93/02/38/572930238.db2.gz ZZOISODWZPLOMH-UHFFFAOYSA-N 0 0 183.226 2.316 10 0 AEAERN Cc1ccc(N)c(OCCCF)c1 88023973 572930389 /nfs/dbraw/zinc/93/03/89/572930389.db2.gz KDLASQWBLWGUBR-UHFFFAOYSA-N 0 0 183.226 2.316 10 0 AEAERN CCCO[C@@H](CC(C)C)C(=O)OC 308202551 572930457 /nfs/dbraw/zinc/93/04/57/572930457.db2.gz WJRTWPHQJKFRLV-VIFPVBQESA-N 0 0 188.267 2.001 10 0 AEAERN CCC(CC)[C@H]1CC[C@@](C)(CO)O1 308203650 572930462 /nfs/dbraw/zinc/93/04/62/572930462.db2.gz RJCIFMBVGAQZMA-MNOVXSKESA-N 0 0 186.295 2.353 10 0 AEAERN CC(=O)CCC[C@H](O)C(C)(C)C 238098340 572930464 /nfs/dbraw/zinc/93/04/64/572930464.db2.gz YRJXVWLUSBRVOI-VIFPVBQESA-N 0 0 172.268 2.153 10 0 AEAERN CCCCn1cc(C(C)=O)nc1C 308203035 572930553 /nfs/dbraw/zinc/93/05/53/572930553.db2.gz WNNMIJAUFMBSNE-UHFFFAOYSA-N 0 0 180.251 2.194 10 0 AEAERN Nc1ccc(OCCCF)cc1F 88023992 572930602 /nfs/dbraw/zinc/93/06/02/572930602.db2.gz ZVPLVCWNQSOGNI-UHFFFAOYSA-N 0 0 187.189 2.146 10 0 AEAERN Cc1ccc(N)cc1OCCCF 88023985 572930637 /nfs/dbraw/zinc/93/06/37/572930637.db2.gz CJFGUSQSFISYPV-UHFFFAOYSA-N 0 0 183.226 2.316 10 0 AEAERN Nc1cc(F)ccc1OCCCF 88023999 572930719 /nfs/dbraw/zinc/93/07/19/572930719.db2.gz ZQRHUIWFFAIIQD-UHFFFAOYSA-N 0 0 187.189 2.146 10 0 AEAERN CC[C@@H](C)N(CC)C(=O)C(C)(C)F 308202788 572930785 /nfs/dbraw/zinc/93/07/85/572930785.db2.gz FVSALGCSTYHBTH-MRVPVSSYSA-N 0 0 189.274 2.382 10 0 AEAERN Cc1ccc(OCCCF)c(N)c1 88023988 572930806 /nfs/dbraw/zinc/93/08/06/572930806.db2.gz SFLZUSCUONHUOT-UHFFFAOYSA-N 0 0 183.226 2.316 10 0 AEAERN CCC(CC)[C@H]1CC[C@](C)(CO)O1 308203649 572930812 /nfs/dbraw/zinc/93/08/12/572930812.db2.gz RJCIFMBVGAQZMA-GHMZBOCLSA-N 0 0 186.295 2.353 10 0 AEAERN CC(C)(/C=C/Cl)CCCC(N)=O 238097413 572931103 /nfs/dbraw/zinc/93/11/03/572931103.db2.gz LOXZPPXDPOQYON-VOTSOKGWSA-N 0 0 189.686 2.421 10 0 AEAERN COc1ccc(OCCCF)c(N)c1 88023969 572931163 /nfs/dbraw/zinc/93/11/63/572931163.db2.gz QTQQBXMUNDDAJB-UHFFFAOYSA-N 0 0 199.225 2.016 10 0 AEAERN CC[C@H](C(=O)C(C)C)[C@H]1CCOC1 308202481 572931196 /nfs/dbraw/zinc/93/11/96/572931196.db2.gz WDVXEMYIRJHFQO-UWVGGRQHSA-N 0 0 184.279 2.274 10 0 AEAERN Cc1c(N)cccc1OCCCF 88023983 572931202 /nfs/dbraw/zinc/93/12/02/572931202.db2.gz JKYPPFVUIMUPGZ-UHFFFAOYSA-N 0 0 183.226 2.316 10 0 AEAERN CC(=O)CCC[C@]1(C)CCCO1 238098568 572931230 /nfs/dbraw/zinc/93/12/30/572931230.db2.gz PRDIIHBVWAEMII-SNVBAGLBSA-N 0 0 170.252 2.315 10 0 AEAERN COc1cc(N)ccc1OCCCF 88023997 572931233 /nfs/dbraw/zinc/93/12/33/572931233.db2.gz OXSFWCPHUIHKMO-UHFFFAOYSA-N 0 0 199.225 2.016 10 0 AEAERN CC[C@H](C)N(CC)C(=O)C(C)(C)F 308202792 572931415 /nfs/dbraw/zinc/93/14/15/572931415.db2.gz FVSALGCSTYHBTH-QMMMGPOBSA-N 0 0 189.274 2.382 10 0 AEAERN CC[C@H](C(=O)C(C)C)[C@@H]1CCOC1 308202483 572931527 /nfs/dbraw/zinc/93/15/27/572931527.db2.gz WDVXEMYIRJHFQO-ZJUUUORDSA-N 0 0 184.279 2.274 10 0 AEAERN CC[C@@H](C(=O)C(C)C)[C@H]1CCOC1 308202482 572931505 /nfs/dbraw/zinc/93/15/05/572931505.db2.gz WDVXEMYIRJHFQO-VHSXEESVSA-N 0 0 184.279 2.274 10 0 AEAERN CN(CCCF)c1ccccc1N 88025699 572931590 /nfs/dbraw/zinc/93/15/90/572931590.db2.gz YGURXUVVYSGZJC-UHFFFAOYSA-N 0 0 182.242 2.065 10 0 AEAERN O=C(OCC(F)(F)F)C1CC=CC1 308202463 572931595 /nfs/dbraw/zinc/93/15/95/572931595.db2.gz ZRRZXHJROOBHJX-UHFFFAOYSA-N 0 0 194.152 2.058 10 0 AEAERN C[C@@H](O)c1ccccc1OCCCF 88025750 572931768 /nfs/dbraw/zinc/93/17/68/572931768.db2.gz IHMJNDGTCZYLGX-SECBINFHSA-N 0 0 198.237 2.478 10 0 AEAERN CC(C)[C@@H](CCCF)[C@H](C)O 88026748 572931828 /nfs/dbraw/zinc/93/18/28/572931828.db2.gz REHZPTUVHFIDPI-DTWKUNHWSA-N 0 0 162.248 2.389 10 0 AEAERN CCCO[C@H](CC(C)C)C(=O)OC 308202550 572931920 /nfs/dbraw/zinc/93/19/20/572931920.db2.gz WJRTWPHQJKFRLV-SECBINFHSA-N 0 0 188.267 2.001 10 0 AEAERN CCCCCn1ccc(=O)c(C)c1 308202311 572931942 /nfs/dbraw/zinc/93/19/42/572931942.db2.gz QOUCGANFTYQGQY-UHFFFAOYSA-N 0 0 179.263 2.347 10 0 AEAERN C[C@H](O)c1cccc(OCCCF)c1 88025753 572931998 /nfs/dbraw/zinc/93/19/98/572931998.db2.gz NCLCDYHCEVGVCM-VIFPVBQESA-N 0 0 198.237 2.478 10 0 AEAERN CC(C)[C@@H](CC1(C)CCCC1)NN 308202795 572932301 /nfs/dbraw/zinc/93/23/01/572932301.db2.gz QWEDOEPTKXYLSZ-SNVBAGLBSA-N 0 0 184.327 2.445 10 0 AEAERN CC(C)[C@H](CC1(C)CCCC1)NN 308202791 572932052 /nfs/dbraw/zinc/93/20/52/572932052.db2.gz QWEDOEPTKXYLSZ-JTQLQIEISA-N 0 0 184.327 2.445 10 0 AEAERN C[C@H](O)c1ccc(OCCCF)cc1 88025745 572932066 /nfs/dbraw/zinc/93/20/66/572932066.db2.gz AVHGFNRUKUKKGZ-VIFPVBQESA-N 0 0 198.237 2.478 10 0 AEAERN Cc1cc(F)c2c(c1)C[C@@H](C)N2 713781123 572932083 /nfs/dbraw/zinc/93/20/83/572932083.db2.gz DBUJUBQBIUDMKO-SSDOTTSWSA-N 0 0 165.211 2.491 10 0 AEAERN Cc1ccc(OCCCF)c(CO)c1 88025779 572932307 /nfs/dbraw/zinc/93/23/07/572932307.db2.gz GBDFMDCXSRWWRG-UHFFFAOYSA-N 0 0 198.237 2.226 10 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198.237 2.478 10 0 AEAERN CC(=O)CC[C@@H](O)C1=CCCCC1 238101614 572932820 /nfs/dbraw/zinc/93/28/20/572932820.db2.gz TUYCZMVOZMIYRG-LLVKDONJSA-N 0 0 182.263 2.217 10 0 AEAERN CCCC/C=C/C[C@H](O)C[C@H](C)O 308205052 572932826 /nfs/dbraw/zinc/93/28/26/572932826.db2.gz HETLGTSEPSLICH-JYLGIWJRSA-N 0 0 186.295 2.255 10 0 AEAERN Cc1c(O)cccc1OCCCF 88025875 572932841 /nfs/dbraw/zinc/93/28/41/572932841.db2.gz KPEHHOBLQOUSAA-UHFFFAOYSA-N 0 0 184.210 2.439 10 0 AEAERN CCCCC[C@@H]1OC(C)(C)C[C@H]1O 308204261 572932842 /nfs/dbraw/zinc/93/28/42/572932842.db2.gz GREUGPDMMHFQQS-ZJUUUORDSA-N 0 0 186.295 2.495 10 0 AEAERN CO[C@H](C/C=C/C[C@H](C)O)C(C)C 308204991 572932905 /nfs/dbraw/zinc/93/29/05/572932905.db2.gz SGOPTULKOZGODX-PFDYWKIBSA-N 0 0 186.295 2.375 10 0 AEAERN C[C@H](C/C=C\C(N)=O)c1ccccc1 211667085 572932962 /nfs/dbraw/zinc/93/29/62/572932962.db2.gz UJLYGBIZUZLEIW-HYHWUIIZSA-N 0 0 189.258 2.222 10 0 AEAERN C/C=C\[C@@H]1C[C@@H](O)C2=C(CCC2)O1 308204361 572932975 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O[C@@H](CCCc1nccs1)C1CC1 86828468 572984339 /nfs/dbraw/zinc/98/43/39/572984339.db2.gz AEZWEAKOXWKVIL-VIFPVBQESA-N 0 0 197.303 2.237 10 0 AEAERN C[C@@H](O)CC(C)(C)Cc1nccs1 86828481 572984389 /nfs/dbraw/zinc/98/43/89/572984389.db2.gz JDWVNUCTNBKYAK-MRVPVSSYSA-N 0 0 199.319 2.483 10 0 AEAERN CC[C@H](O)CCCc1nccs1 86828464 572984476 /nfs/dbraw/zinc/98/44/76/572984476.db2.gz AIJVMEVVFAOMKX-QMMMGPOBSA-N 0 0 185.292 2.237 10 0 AEAERN C[C@@H](O)C[C@@H](C)Cc1nccs1 86828476 572984560 /nfs/dbraw/zinc/98/45/60/572984560.db2.gz CGWPDZNWFDMHEL-HTQZYQBOSA-N 0 0 185.292 2.093 10 0 AEAERN O[C@H](CCCc1nccs1)C1CC1 86828469 572984610 /nfs/dbraw/zinc/98/46/10/572984610.db2.gz AEZWEAKOXWKVIL-SECBINFHSA-N 0 0 197.303 2.237 10 0 AEAERN CC(C)[C@@H](O)CCCc1nccs1 86828467 572984621 /nfs/dbraw/zinc/98/46/21/572984621.db2.gz HMTMMGJGUJVMST-VIFPVBQESA-N 0 0 199.319 2.483 10 0 AEAERN CCCCSc1ccc(N)c(N)n1 86830255 572984637 /nfs/dbraw/zinc/98/46/37/572984637.db2.gz VHQJPZUSCRSNRH-UHFFFAOYSA-N 0 0 197.307 2.138 10 0 AEAERN CC(C)[C@H](O)CCCc1nccs1 86828466 572984857 /nfs/dbraw/zinc/98/48/57/572984857.db2.gz HMTMMGJGUJVMST-SECBINFHSA-N 0 0 199.319 2.483 10 0 AEAERN C[C@H](O)C[C@@H](C)Cc1nccs1 86828478 572984948 /nfs/dbraw/zinc/98/49/48/572984948.db2.gz CGWPDZNWFDMHEL-SFYZADRCSA-N 0 0 185.292 2.093 10 0 AEAERN C[C@H](O)C[C@H](C)Cc1nccs1 86828479 572984997 /nfs/dbraw/zinc/98/49/97/572984997.db2.gz CGWPDZNWFDMHEL-YUMQZZPRSA-N 0 0 185.292 2.093 10 0 AEAERN [NH3+][C@H](CCCC(F)(F)F)C(F)F 236312889 572985008 /nfs/dbraw/zinc/98/50/08/572985008.db2.gz MPPYFTFYIMOJEL-SCSAIBSYSA-N 0 0 191.143 2.311 10 0 AEAERN CC[C@@H](C)[C@@](C)(O)Cc1nccs1 86826579 572985058 /nfs/dbraw/zinc/98/50/58/572985058.db2.gz NQZGKGPDPDXMMN-SCZZXKLOSA-N 0 0 199.319 2.483 10 0 AEAERN CC[C@H](C)[C@](C)(O)Cc1nccs1 86826578 572985125 /nfs/dbraw/zinc/98/51/25/572985125.db2.gz NQZGKGPDPDXMMN-WCBMZHEXSA-N 0 0 199.319 2.483 10 0 AEAERN CC[C@H](C)[C@@](C)(O)Cc1nccs1 86826580 572985203 /nfs/dbraw/zinc/98/52/03/572985203.db2.gz NQZGKGPDPDXMMN-WPRPVWTQSA-N 0 0 199.319 2.483 10 0 AEAERN CCOC(=O)[C@@H]1CC[C@H]2CCC[C@@H]21 196288581 572985319 /nfs/dbraw/zinc/98/53/19/572985319.db2.gz OYHLBWLCQSODIN-KXUCPTDWSA-N 0 0 182.263 2.376 10 0 AEAERN CCC[C@H](C)[C@H](O)Cc1nccs1 86826768 572985344 /nfs/dbraw/zinc/98/53/44/572985344.db2.gz HKULRVXNTFGDBV-DTWKUNHWSA-N 0 0 199.319 2.483 10 0 AEAERN CCCCC(=O)Cc1nccs1 86827159 572985422 /nfs/dbraw/zinc/98/54/22/572985422.db2.gz PXQCCHUMZBLZDH-UHFFFAOYSA-N 0 0 183.276 2.445 10 0 AEAERN CC(C)(C)C[C@@H](O)Cc1nccs1 86826774 572985440 /nfs/dbraw/zinc/98/54/40/572985440.db2.gz MTAXGFQJOQBKDT-QMMMGPOBSA-N 0 0 199.319 2.483 10 0 AEAERN CCCC[C@@H](O)Cc1nccs1 86826758 572985565 /nfs/dbraw/zinc/98/55/65/572985565.db2.gz HJVCMSYYBLDXJB-MRVPVSSYSA-N 0 0 185.292 2.237 10 0 AEAERN CCC(O)(CC)Cc1nccs1 86826566 572985644 /nfs/dbraw/zinc/98/56/44/572985644.db2.gz OWGURGKYMMBMBR-UHFFFAOYSA-N 0 0 185.292 2.237 10 0 AEAERN Cc1cc(N)nn1[C@H](C)CC(C)C 306288484 572985839 /nfs/dbraw/zinc/98/58/39/572985839.db2.gz MYIUQRQWDNQSSL-MRVPVSSYSA-N 0 0 181.283 2.381 10 0 AEAERN CC(C)CC(=O)Cc1nccs1 86827047 572985845 /nfs/dbraw/zinc/98/58/45/572985845.db2.gz POXDMUUGDIMHEE-UHFFFAOYSA-N 0 0 183.276 2.301 10 0 AEAERN CCC[C@@H](C)[C@H](O)Cc1nccs1 86826767 572985860 /nfs/dbraw/zinc/98/58/60/572985860.db2.gz HKULRVXNTFGDBV-RKDXNWHRSA-N 0 0 199.319 2.483 10 0 AEAERN CC(C)C[C@H](O)Cc1nccs1 86826747 572985933 /nfs/dbraw/zinc/98/59/33/572985933.db2.gz DJLIVJCHFXEFGY-QMMMGPOBSA-N 0 0 185.292 2.093 10 0 AEAERN CCC[C@@H](C)[C@@H](O)Cc1nccs1 86826769 572985962 /nfs/dbraw/zinc/98/59/62/572985962.db2.gz HKULRVXNTFGDBV-BDAKNGLRSA-N 0 0 199.319 2.483 10 0 AEAERN CC[C@](O)(Cc1nccs1)C(C)C 86826582 572985970 /nfs/dbraw/zinc/98/59/70/572985970.db2.gz IOHHCICZPGBNJI-JTQLQIEISA-N 0 0 199.319 2.483 10 0 AEAERN CCCC[C@H](O)Cc1nccs1 86826757 572985985 /nfs/dbraw/zinc/98/59/85/572985985.db2.gz HJVCMSYYBLDXJB-QMMMGPOBSA-N 0 0 185.292 2.237 10 0 AEAERN CC[C@H](C)[C@H](O)Cc1nccs1 86826710 572986027 /nfs/dbraw/zinc/98/60/27/572986027.db2.gz VEDUJGAGVFKKDN-JGVFFNPUSA-N 0 0 185.292 2.093 10 0 AEAERN CC[C@](O)(Cc1nccs1)C1CC1 86826848 572986090 /nfs/dbraw/zinc/98/60/90/572986090.db2.gz FKJYFZBUAFDAAM-JTQLQIEISA-N 0 0 197.303 2.237 10 0 AEAERN CC[C@H](C)[C@@H](O)Cc1nccs1 86826712 572986235 /nfs/dbraw/zinc/98/62/35/572986235.db2.gz VEDUJGAGVFKKDN-YUMQZZPRSA-N 0 0 185.292 2.093 10 0 AEAERN CCOC(=O)C(=O)CCC1CCCC1 196286832 572986243 /nfs/dbraw/zinc/98/62/43/572986243.db2.gz HDEQDWXJFMJIHP-UHFFFAOYSA-N 0 0 198.262 2.089 10 0 AEAERN CCC(CC)[C@@H](O)Cc1nccs1 86826678 572986326 /nfs/dbraw/zinc/98/63/26/572986326.db2.gz IHZZAIWCFIJODL-VIFPVBQESA-N 0 0 199.319 2.483 10 0 AEAERN CC[C@@](O)(Cc1nccs1)C(C)C 86826581 572986352 /nfs/dbraw/zinc/98/63/52/572986352.db2.gz IOHHCICZPGBNJI-SNVBAGLBSA-N 0 0 199.319 2.483 10 0 AEAERN CCC(CC)[C@H](O)Cc1nccs1 86826677 572986363 /nfs/dbraw/zinc/98/63/63/572986363.db2.gz IHZZAIWCFIJODL-SECBINFHSA-N 0 0 199.319 2.483 10 0 AEAERN CC[C@@H](C)[C@@H](O)Cc1nccs1 86826711 572986367 /nfs/dbraw/zinc/98/63/67/572986367.db2.gz VEDUJGAGVFKKDN-SFYZADRCSA-N 0 0 185.292 2.093 10 0 AEAERN CC[C@H](C)C(=O)Cc1nccs1 86827085 572986399 /nfs/dbraw/zinc/98/63/99/572986399.db2.gz ZDIHBVHLSLTRRA-ZETCQYMHSA-N 0 0 183.276 2.301 10 0 AEAERN CC(C)CC[C@H](O)Cc1nccs1 86827197 572986407 /nfs/dbraw/zinc/98/64/07/572986407.db2.gz SGHASFFVVCYZQI-VIFPVBQESA-N 0 0 199.319 2.483 10 0 AEAERN CC[C@@H](C)[C@H](O)Cc1nccs1 86826709 572986442 /nfs/dbraw/zinc/98/64/42/572986442.db2.gz VEDUJGAGVFKKDN-HTQZYQBOSA-N 0 0 185.292 2.093 10 0 AEAERN Cc1cc(N)nn1[C@@H](C)CC(C)C 306288485 572986472 /nfs/dbraw/zinc/98/64/72/572986472.db2.gz MYIUQRQWDNQSSL-QMMMGPOBSA-N 0 0 181.283 2.381 10 0 AEAERN CC(C)(C)C[C@H](O)Cc1nccs1 86826773 572986515 /nfs/dbraw/zinc/98/65/15/572986515.db2.gz MTAXGFQJOQBKDT-MRVPVSSYSA-N 0 0 199.319 2.483 10 0 AEAERN CC(C)C[C@@H](O)Cc1nccs1 86826748 572986555 /nfs/dbraw/zinc/98/65/55/572986555.db2.gz DJLIVJCHFXEFGY-MRVPVSSYSA-N 0 0 185.292 2.093 10 0 AEAERN CC(C)CC[C@@H](O)Cc1nccs1 86827198 572986565 /nfs/dbraw/zinc/98/65/65/572986565.db2.gz SGHASFFVVCYZQI-SECBINFHSA-N 0 0 199.319 2.483 10 0 AEAERN CCC[C@H](C)[C@@H](O)Cc1nccs1 86826770 572986589 /nfs/dbraw/zinc/98/65/89/572986589.db2.gz HKULRVXNTFGDBV-IUCAKERBSA-N 0 0 199.319 2.483 10 0 AEAERN CC=C=CCC(=O)C(C)C 238241339 572996519 /nfs/dbraw/zinc/99/65/19/572996519.db2.gz NFGZPBYAKIMFPZ-UHFFFAOYSA-N 0 0 138.210 2.333 10 0 AEAERN CC1(C)C[C@@H]2C(CO)=CC[C@@H]2C1 238241187 572994801 /nfs/dbraw/zinc/99/48/01/572994801.db2.gz HEHCZXJTHCUOJF-SCZZXKLOSA-N 0 0 166.264 2.361 10 0 AEAERN C[C@H](O)C[C@@H]1COc2cccc(F)c21 257915847 572992557 /nfs/dbraw/zinc/99/25/57/572992557.db2.gz BSPGNKBIZPPHFC-JGVFFNPUSA-N 0 0 196.221 2.073 10 0 AEAERN C[C@H]1CNc2c(C=O)cccc21 257921411 572992566 /nfs/dbraw/zinc/99/25/66/572992566.db2.gz CBJFBMSIQSGOCI-ZETCQYMHSA-N 0 0 161.204 2.028 10 0 AEAERN CC(F)(F)C[C@H]1CCC[C@H]1O 259530230 572993939 /nfs/dbraw/zinc/99/39/39/572993939.db2.gz BAIFRTANUDJZFI-RNFRBKRXSA-N 0 0 164.195 2.193 10 0 AEAERN Cc1cccc(CC(F)(F)CO)c1 257922236 572992604 /nfs/dbraw/zinc/99/26/04/572992604.db2.gz RPCDQPSHOPPHIY-UHFFFAOYSA-N 0 0 186.201 2.165 10 0 AEAERN CSc1c(O)cccc1C[C@H](C)O 258205638 572992670 /nfs/dbraw/zinc/99/26/70/572992670.db2.gz STRKALLPNILVCB-ZETCQYMHSA-N 0 0 198.287 2.037 10 0 AEAERN COc1cc(F)cc(C[C@@H](C)O)c1C 258207394 572992674 /nfs/dbraw/zinc/99/26/74/572992674.db2.gz YYNMHXNAWMTJCG-SSDOTTSWSA-N 0 0 198.237 2.066 10 0 AEAERN CSc1ccc(C(C)(C)O)c(O)c1 258208307 572992679 /nfs/dbraw/zinc/99/26/79/572992679.db2.gz TYESRAWQSBCVTH-UHFFFAOYSA-N 0 0 198.287 2.342 10 0 AEAERN C[C@H](OC(=O)[C@@H]1CC1(C)C)C(F)F 308217088 572992727 /nfs/dbraw/zinc/99/27/27/572992727.db2.gz ANYWOUSIFRBGMP-WDSKDSINSA-N 0 0 192.205 2.229 10 0 AEAERN CC(C)SC(=O)c1ccoc1N 257916327 572992737 /nfs/dbraw/zinc/99/27/37/572992737.db2.gz MREWLAPUHBGXLK-UHFFFAOYSA-N 0 0 185.248 2.144 10 0 AEAERN CCOC(=O)N1CCC[C@H]1C1CCC1 82355554 572992760 /nfs/dbraw/zinc/99/27/60/572992760.db2.gz MIGSDBVPIVAPQH-JTQLQIEISA-N 0 0 197.278 2.407 10 0 AEAERN COc1ccccc1Oc1ncco1 257916501 572992805 /nfs/dbraw/zinc/99/28/05/572992805.db2.gz QREIGEWJHWJTCE-UHFFFAOYSA-N 0 0 191.186 2.476 10 0 AEAERN COC(=O)/C=C\[C@H]1CCCCS1 258208035 572992807 /nfs/dbraw/zinc/99/28/07/572992807.db2.gz NVCOZLZQRYKXFN-RPSMYOMKSA-N 0 0 186.276 2.001 10 0 AEAERN CCOCc1cc2cccc(O)c2[nH]1 257921692 572992812 /nfs/dbraw/zinc/99/28/12/572992812.db2.gz RNWIUTTZFJWCCP-UHFFFAOYSA-N 0 0 191.230 2.410 10 0 AEAERN C[C@@H]1CNc2c(C=O)cccc21 257921407 572992819 /nfs/dbraw/zinc/99/28/19/572992819.db2.gz CBJFBMSIQSGOCI-SSDOTTSWSA-N 0 0 161.204 2.028 10 0 AEAERN CC(C)(C)[C@@H](O)[C@H]1CC12CCOCC2 689879845 572992824 /nfs/dbraw/zinc/99/28/24/572992824.db2.gz HJXCWONCTDGPPK-ZJUUUORDSA-N 0 0 198.306 2.210 10 0 AEAERN Brc1nc(C2CC2)c[nH]1 257916669 572992825 /nfs/dbraw/zinc/99/28/25/572992825.db2.gz QXSWAUIITLZMNA-UHFFFAOYSA-N 0 0 187.040 2.050 10 0 AEAERN Cc1coc2cccc(CCON)c12 258207414 572992928 /nfs/dbraw/zinc/99/29/28/572992928.db2.gz YYYFRBUFYSVWQE-UHFFFAOYSA-N 0 0 191.230 2.174 10 0 AEAERN CCc1cnc2ccc(N)cc2c1 257922205 572992946 /nfs/dbraw/zinc/99/29/46/572992946.db2.gz ROVGMIQFOWYJEI-UHFFFAOYSA-N 0 0 172.231 2.379 10 0 AEAERN OC1(Cc2ccc3ncccc3c2)CC1 258208180 572992947 /nfs/dbraw/zinc/99/29/47/572992947.db2.gz TUCPTVMKXBYEGI-UHFFFAOYSA-N 0 0 199.253 2.302 10 0 AEAERN CC(C)(C)[C@H](O)[C@@H]1CC12CCOCC2 689879842 572993040 /nfs/dbraw/zinc/99/30/40/572993040.db2.gz HJXCWONCTDGPPK-VHSXEESVSA-N 0 0 198.306 2.210 10 0 AEAERN C[C@H](F)c1cc(CCCO)ccc1O 258208264 572993064 /nfs/dbraw/zinc/99/30/64/572993064.db2.gz TXEQFGDEGBJVQK-QMMMGPOBSA-N 0 0 198.237 2.348 10 0 AEAERN Cc1cc([C@@H](C)CO)cc(F)c1F 258207589 572993113 /nfs/dbraw/zinc/99/31/13/572993113.db2.gz ZCRPSJBNKMBVBM-ZETCQYMHSA-N 0 0 186.201 2.369 10 0 AEAERN Fc1ccccc1OCc1ncco1 257921661 572993085 /nfs/dbraw/zinc/99/30/85/572993085.db2.gz RMTKLCLUJJYRES-UHFFFAOYSA-N 0 0 193.177 2.393 10 0 AEAERN C[C@@H](OC(=O)[C@H]1CC1(C)C)C(F)F 308217086 572993094 /nfs/dbraw/zinc/99/30/94/572993094.db2.gz ANYWOUSIFRBGMP-PHDIDXHHSA-N 0 0 192.205 2.229 10 0 AEAERN O[C@H](CC1CCC1)C[C@@H]1CCCCO1 128268640 572993162 /nfs/dbraw/zinc/99/31/62/572993162.db2.gz VOHFOGYYGZQVCW-NEPJUHHUSA-N 0 0 198.306 2.497 10 0 AEAERN CC(C)(CO)c1cccc2oncc12 258207356 572993165 /nfs/dbraw/zinc/99/31/65/572993165.db2.gz YXLNSDQDVJKTBF-UHFFFAOYSA-N 0 0 191.230 2.098 10 0 AEAERN C[C@@H](F)CCOC(=O)/C=C\C1CC1 308217122 572993201 /nfs/dbraw/zinc/99/32/01/572993201.db2.gz APVZENURVZAHGO-PULIVWKDSA-N 0 0 186.226 2.244 10 0 AEAERN CC(C)(C)c1cccc(CON)c1O 258205232 572993215 /nfs/dbraw/zinc/99/32/15/572993215.db2.gz YUPMBCARDZYNBH-UHFFFAOYSA-N 0 0 195.262 2.080 10 0 AEAERN COc1c(C)cc([C@H](C)CO)cc1F 258208215 572993240 /nfs/dbraw/zinc/99/32/40/572993240.db2.gz TVNAYJFFMZBXEN-MRVPVSSYSA-N 0 0 198.237 2.239 10 0 AEAERN CCOCc1ccc(F)cc1O 258207191 572993333 /nfs/dbraw/zinc/99/33/33/572993333.db2.gz VZQLFZJUAGINIQ-UHFFFAOYSA-N 0 0 170.183 2.068 10 0 AEAERN COc1nc(C2CC2)nc(Cl)c1C 87917334 572993353 /nfs/dbraw/zinc/99/33/53/572993353.db2.gz SJLXDMLDKMQHBV-UHFFFAOYSA-N 0 0 198.653 2.324 10 0 AEAERN Cc1[nH]nc(C(F)F)c1Cl 104529803 572994837 /nfs/dbraw/zinc/99/48/37/572994837.db2.gz AHRDRGMIKVJWHC-UHFFFAOYSA-N 0 0 166.558 2.309 10 0 AEAERN Cc1c[nH]c2cc(C=O)ccc12 258208160 572993428 /nfs/dbraw/zinc/99/34/28/572993428.db2.gz VBOTYHWKONVDHC-UHFFFAOYSA-N 0 0 159.188 2.289 10 0 AEAERN CCc1c[nH]c(=O)c2ccc(O)cc12 258205921 572993478 /nfs/dbraw/zinc/99/34/78/572993478.db2.gz NVHHYWMQHDXQED-UHFFFAOYSA-N 0 0 189.214 2.208 10 0 AEAERN C[NH2+][C@H](C)c1ccc(N)cc1Cl 104525586 572993488 /nfs/dbraw/zinc/99/34/88/572993488.db2.gz BCAXAPLBJSNVAN-ZCFIWIBFSA-N 0 0 184.670 2.203 10 0 AEAERN C[C@H](OC(=O)[C@H]1CC1(C)C)C(F)F 308217085 572993562 /nfs/dbraw/zinc/99/35/62/572993562.db2.gz ANYWOUSIFRBGMP-NTSWFWBYSA-N 0 0 192.205 2.229 10 0 AEAERN C[C@@H](O)C[C@H]1COc2cccc(F)c21 257915848 572993605 /nfs/dbraw/zinc/99/36/05/572993605.db2.gz BSPGNKBIZPPHFC-SFYZADRCSA-N 0 0 196.221 2.073 10 0 AEAERN C[C@@H](O)[C@@H](O)c1ccc(C2CC2)s1 716545720 572993617 /nfs/dbraw/zinc/99/36/17/572993617.db2.gz LTGOXTMLULQUEV-LHLIQPBNSA-N 0 0 198.287 2.040 10 0 AEAERN CCOC(=O)N1CCC[C@@H]1C1CCC1 82355553 572993666 /nfs/dbraw/zinc/99/36/66/572993666.db2.gz MIGSDBVPIVAPQH-SNVBAGLBSA-N 0 0 197.278 2.407 10 0 AEAERN CC(F)(F)c1ccc(CCO)cc1 258207402 572993674 /nfs/dbraw/zinc/99/36/74/572993674.db2.gz YYPXBXLYYWBLHP-UHFFFAOYSA-N 0 0 186.201 2.333 10 0 AEAERN C[C@@H](OC(=O)[C@@H]1CC1(C)C)C(F)F 308217087 572993676 /nfs/dbraw/zinc/99/36/76/572993676.db2.gz ANYWOUSIFRBGMP-RITPCOANSA-N 0 0 192.205 2.229 10 0 AEAERN Cc1nc([C@@H]2CCCC[NH2+]2)ccc1F 104525545 572993697 /nfs/dbraw/zinc/99/36/97/572993697.db2.gz LPFPFOCWMRRPFV-JTQLQIEISA-N 0 0 194.253 2.344 10 0 AEAERN C[C@@H](F)c1ccc(O)c(CCCO)c1 258205900 572993746 /nfs/dbraw/zinc/99/37/46/572993746.db2.gz SYDJUJBNVJGPGB-MRVPVSSYSA-N 0 0 198.237 2.348 10 0 AEAERN Cc1cccc(OC(C)C)c1CNO 258207575 572993823 /nfs/dbraw/zinc/99/38/23/572993823.db2.gz ZCIZOJMULBROFL-UHFFFAOYSA-N 0 0 195.262 2.261 10 0 AEAERN C[C@H](O)C1=CC[C@H]2C[C@@H]1C2(C)C 113259410 572993902 /nfs/dbraw/zinc/99/39/02/572993902.db2.gz SBKWIMOJGZNSDW-NRPADANISA-N 0 0 166.264 2.360 10 0 AEAERN C[C@H](F)CCOC(=O)/C=C\C1CC1 308217121 572994069 /nfs/dbraw/zinc/99/40/69/572994069.db2.gz APVZENURVZAHGO-LGYSABEFSA-N 0 0 186.226 2.244 10 0 AEAERN CC(C)[C@@H]([NH3+])c1ccc(N(C)C)o1 104524870 572994094 /nfs/dbraw/zinc/99/40/94/572994094.db2.gz AHYCEJRRXGCADZ-SNVBAGLBSA-N 0 0 182.267 2.001 10 0 AEAERN C[C@@H]1Cc2cccc(C(C)(C)O)c2N1 258206172 572994097 /nfs/dbraw/zinc/99/40/97/572994097.db2.gz UXYFOEHKXONFEQ-MRVPVSSYSA-N 0 0 191.274 2.271 10 0 AEAERN Nc1cc(-c2cccc(O)c2)co1 258206891 572994270 /nfs/dbraw/zinc/99/42/70/572994270.db2.gz VVDKDPAPGCJNAJ-UHFFFAOYSA-N 0 0 175.187 2.234 10 0 AEAERN CCc1nc(Cl)c(C)c(NC)n1 87917487 572994259 /nfs/dbraw/zinc/99/42/59/572994259.db2.gz HFJNPVRJLXAEAL-UHFFFAOYSA-N 0 0 185.658 2.043 10 0 AEAERN Cc1c[nH]c2c(C[C@@H](C)O)cccc12 258208043 572994289 /nfs/dbraw/zinc/99/42/89/572994289.db2.gz VAGLJQZGSKXASO-SECBINFHSA-N 0 0 189.258 2.400 10 0 AEAERN CC(C)(C)C(=O)N1CCC[C@@H]1C1CC1 82355255 572994309 /nfs/dbraw/zinc/99/43/09/572994309.db2.gz OMMFFCKBTQBYIC-SNVBAGLBSA-N 0 0 195.306 2.434 10 0 AEAERN CC(=O)c1cnc(C2CCC2)o1 257915874 572994326 /nfs/dbraw/zinc/99/43/26/572994326.db2.gz CUPGITFCLRIYEO-UHFFFAOYSA-N 0 0 165.192 2.145 10 0 AEAERN CC1(C)C[C@H]2CC(=O)[C@@H]2C1 238241101 572994347 /nfs/dbraw/zinc/99/43/47/572994347.db2.gz GLBZXEPSQSZQNH-RNFRBKRXSA-N 0 0 138.210 2.012 10 0 AEAERN CCNc1cc(NC)[nH+]c(C(C)C)n1 87908956 572994839 /nfs/dbraw/zinc/99/48/39/572994839.db2.gz KKJDUGQOTJXSSJ-UHFFFAOYSA-N 0 0 194.282 2.074 10 0 AEAERN CC=C=C(CCO)[Si](C)(C)C 238240524 572994390 /nfs/dbraw/zinc/99/43/90/572994390.db2.gz WWOGTWFTXRQYGF-UHFFFAOYSA-N 0 0 170.328 2.348 10 0 AEAERN CCCC(=O)[C@@H]1CCC=C(C)O1 238241682 572994416 /nfs/dbraw/zinc/99/44/16/572994416.db2.gz VJCIHBZJMDYURA-JTQLQIEISA-N 0 0 168.236 2.438 10 0 AEAERN C[C@@H]([NH3+])c1cccc(OC(C)(C)C)n1 104527013 572994433 /nfs/dbraw/zinc/99/44/33/572994433.db2.gz UIVYLLZTMZHHRM-MRVPVSSYSA-N 0 0 194.278 2.279 10 0 AEAERN C[C@@H](F)CCOC(=O)/C=C/C1CC1 308217123 572994446 /nfs/dbraw/zinc/99/44/46/572994446.db2.gz APVZENURVZAHGO-WTSVBCDHSA-N 0 0 186.226 2.244 10 0 AEAERN CC=C=C1CCCC[C@H]1O 238240907 572994479 /nfs/dbraw/zinc/99/44/79/572994479.db2.gz YTIPYWOKZQGNDT-OLAZFDQMSA-N 0 0 138.210 2.023 10 0 AEAERN C[C@H](F)CCOC(=O)/C=C/C1CC1 308217124 572994505 /nfs/dbraw/zinc/99/45/05/572994505.db2.gz APVZENURVZAHGO-ZJELKQJVSA-N 0 0 186.226 2.244 10 0 AEAERN C[C@@H](O)Cc1ccc2c(c1)SCO2 258205372 572994622 /nfs/dbraw/zinc/99/46/22/572994622.db2.gz YWSNLFLHEQFPCR-SSDOTTSWSA-N 0 0 196.271 2.052 10 0 AEAERN Cc1cc2c(C=O)c[nH]c2cc1F 113275809 572994640 /nfs/dbraw/zinc/99/46/40/572994640.db2.gz JDFQYJVBHFDJPF-UHFFFAOYSA-N 0 0 177.178 2.428 10 0 AEAERN COc1c(C)cc(C(C)(C)O)cc1F 258207582 572994656 /nfs/dbraw/zinc/99/46/56/572994656.db2.gz ZCPNCYMARAXQRR-UHFFFAOYSA-N 0 0 198.237 2.370 10 0 AEAERN CCC(=O)c1cc(O)cc(F)c1 238241451 572994718 /nfs/dbraw/zinc/99/47/18/572994718.db2.gz QTSHAZAYIJCJEM-UHFFFAOYSA-N 0 0 168.167 2.124 10 0 AEAERN Cc1noc(Cl)c1Cl 104529254 572994733 /nfs/dbraw/zinc/99/47/33/572994733.db2.gz OGGKYAHUIRYTTF-UHFFFAOYSA-N 0 0 151.980 2.290 10 0 AEAERN C=Cc1occc1C 113268941 572994884 /nfs/dbraw/zinc/99/48/84/572994884.db2.gz WAVMEWSWFALXSL-UHFFFAOYSA-N 0 0 108.140 2.231 10 0 AEAERN CNc1cc(SC)nc(C2CC2)n1 87909427 572995361 /nfs/dbraw/zinc/99/53/61/572995361.db2.gz AJVYVCCWUPQEIK-UHFFFAOYSA-N 0 0 195.291 2.118 10 0 AEAERN Cc1cnc(Oc2cccc(O)c2)o1 257921432 572994921 /nfs/dbraw/zinc/99/49/21/572994921.db2.gz RHYBJNXQZQFAGH-UHFFFAOYSA-N 0 0 191.186 2.481 10 0 AEAERN CCCc1nc(Cl)cc(N(C)C)n1 87907544 572994932 /nfs/dbraw/zinc/99/49/32/572994932.db2.gz NZBUIMLMJIBROO-UHFFFAOYSA-N 0 0 199.685 2.149 10 0 AEAERN C[C@@H](F)c1cc(CCCO)ccc1O 258208261 572994940 /nfs/dbraw/zinc/99/49/40/572994940.db2.gz TXEQFGDEGBJVQK-MRVPVSSYSA-N 0 0 198.237 2.348 10 0 AEAERN CC=C=C[C@@H](O)C(C)(C)C 238241864 572994975 /nfs/dbraw/zinc/99/49/75/572994975.db2.gz RCEWIPPBHOPOJG-QFSRMBNQSA-N 0 0 140.226 2.125 10 0 AEAERN S=C1CSC(c2ccccn2)=N1 259302019 572994977 /nfs/dbraw/zinc/99/49/77/572994977.db2.gz NGAAEOFMHSZGGS-UHFFFAOYSA-N 0 0 194.284 2.494 10 0 AEAERN C[C@@H]1COc2cccc(C(C)(C)O)c21 258207964 572994980 /nfs/dbraw/zinc/99/49/80/572994980.db2.gz UZHVUCQJRJKLJF-MRVPVSSYSA-N 0 0 192.258 2.410 10 0 AEAERN CCOc1cc(Cl)nc(C2CC2)n1 87908392 572994983 /nfs/dbraw/zinc/99/49/83/572994983.db2.gz WGPFMPOUAYJVNW-UHFFFAOYSA-N 0 0 198.653 2.406 10 0 AEAERN CC[C@@H]1CCC[C@]1(O)CC 104531533 572995052 /nfs/dbraw/zinc/99/50/52/572995052.db2.gz CZFLXKXVGPWMHV-RKDXNWHRSA-N 0 0 142.242 2.338 10 0 AEAERN CCC[C@@H]1C(C)=NN[C@H]1CC 238240680 572995086 /nfs/dbraw/zinc/99/50/86/572995086.db2.gz YYJZPXXQRUCOSB-BDAKNGLRSA-N 0 0 154.257 2.160 10 0 AEAERN C[NH2+]COC1C2CC3CC(C2)CC1C3 104528669 572995095 /nfs/dbraw/zinc/99/50/95/572995095.db2.gz FMGNEQQFXBJGMF-UHFFFAOYSA-N 0 0 195.306 2.005 10 0 AEAERN CSc1cc(N)nc(C(C)(C)C)n1 87909420 572995169 /nfs/dbraw/zinc/99/51/69/572995169.db2.gz SWCWPUAUFVNBDB-UHFFFAOYSA-N 0 0 197.307 2.078 10 0 AEAERN CC1(c2cccc(O)c2)OCCCO1 238242147 572995610 /nfs/dbraw/zinc/99/56/10/572995610.db2.gz DLPIZZFNGGBKPQ-UHFFFAOYSA-N 0 0 194.230 2.002 10 0 AEAERN CC[C@H]1CCC[C@]1(O)CC 104531536 572995177 /nfs/dbraw/zinc/99/51/77/572995177.db2.gz CZFLXKXVGPWMHV-DTWKUNHWSA-N 0 0 142.242 2.338 10 0 AEAERN CCc1nc(Cl)cc(N(C)CC)n1 87905765 572995183 /nfs/dbraw/zinc/99/51/83/572995183.db2.gz KWVYUTNADXZWGU-UHFFFAOYSA-N 0 0 199.685 2.149 10 0 AEAERN CSc1cc(CNO)ccc1C 258207330 572995228 /nfs/dbraw/zinc/99/52/28/572995228.db2.gz YWUZASIYISZQRL-UHFFFAOYSA-N 0 0 183.276 2.196 10 0 AEAERN CCc1nc(Cl)cc(SC)n1 87906006 572995328 /nfs/dbraw/zinc/99/53/28/572995328.db2.gz LHHLOQPWOVIGND-UHFFFAOYSA-N 0 0 188.683 2.414 10 0 AEAERN Cc1cccc2oc(CON)cc12 258205751 572995331 /nfs/dbraw/zinc/99/53/31/572995331.db2.gz OLOKPSKLZBMKNS-UHFFFAOYSA-N 0 0 177.203 2.132 10 0 AEAERN CCc1nc(Cl)c(C)c(OC)n1 87917336 572995394 /nfs/dbraw/zinc/99/53/94/572995394.db2.gz RKPSXBOCCHVRBM-UHFFFAOYSA-N 0 0 186.642 2.009 10 0 AEAERN O[C@H](/C=C\c1ccccc1)C1CC1 224223795 572995401 /nfs/dbraw/zinc/99/54/01/572995401.db2.gz USWTZERBQDTXDI-OJIASSBASA-N 0 0 174.243 2.471 10 0 AEAERN CC[C@@H]1CCC[C@@]1(O)CC 104531542 572995402 /nfs/dbraw/zinc/99/54/02/572995402.db2.gz CZFLXKXVGPWMHV-BDAKNGLRSA-N 0 0 142.242 2.338 10 0 AEAERN CCC[C@]1(C)[C@H]2C(=O)CC[C@H]21 238240756 572995485 /nfs/dbraw/zinc/99/54/85/572995485.db2.gz YVYJCOFWPHDDHH-QNSHHTMESA-N 0 0 152.237 2.402 10 0 AEAERN CC=C=C1CCCC[C@@H]1O 238240882 572995502 /nfs/dbraw/zinc/99/55/02/572995502.db2.gz YTIPYWOKZQGNDT-YQFNKJDISA-N 0 0 138.210 2.023 10 0 AEAERN CC1(C)C[C@H]2CCC(=O)[C@H]21 238241310 572995540 /nfs/dbraw/zinc/99/55/40/572995540.db2.gz LGWUYAZQCJEDJV-SVRRBLITSA-N 0 0 138.210 2.012 10 0 AEAERN CCSc1cc(NC)nc(CC)n1 87906675 572995567 /nfs/dbraw/zinc/99/55/67/572995567.db2.gz CKIFUWPLIPEFLL-UHFFFAOYSA-N 0 0 197.307 2.193 10 0 AEAERN COc1c(C)cc([C@@H](C)CO)cc1F 258208217 572995585 /nfs/dbraw/zinc/99/55/85/572995585.db2.gz TVNAYJFFMZBXEN-QMMMGPOBSA-N 0 0 198.237 2.239 10 0 AEAERN CC=C=CCCC(C)=O 238241456 572995586 /nfs/dbraw/zinc/99/55/86/572995586.db2.gz QTYGPMHINSTOAY-UHFFFAOYSA-N 0 0 124.183 2.087 10 0 AEAERN CC1(C)C[C@H]2CCC(=O)[C@@H]21 238241278 572995653 /nfs/dbraw/zinc/99/56/53/572995653.db2.gz LGWUYAZQCJEDJV-HTRCEHHLSA-N 0 0 138.210 2.012 10 0 AEAERN CC1(C)C[C@H]2CC=C(CO)[C@@H]2C1 238241172 572995665 /nfs/dbraw/zinc/99/56/65/572995665.db2.gz HEHCZXJTHCUOJF-PSASIEDQSA-N 0 0 166.264 2.361 10 0 AEAERN CC1(C)C[C@H]2CCC(=O)[C@]21C 238241330 572995700 /nfs/dbraw/zinc/99/57/00/572995700.db2.gz IBCYJIVDASDNSK-XCBNKYQSSA-N 0 0 152.237 2.402 10 0 AEAERN CC1(C)C[C@H]2C(=O)CC[C@@]21C 238240808 572995804 /nfs/dbraw/zinc/99/58/04/572995804.db2.gz QVLJAHLQRZVTBC-XVKPBYJWSA-N 0 0 152.237 2.402 10 0 AEAERN CC[C@H](C)[C@@H](O)C[C@@H]1CCCCO1 128272035 572995808 /nfs/dbraw/zinc/99/58/08/572995808.db2.gz NAKZOAWUJHQQPU-DCAQKATOSA-N 0 0 186.295 2.353 10 0 AEAERN CSc1c(O)cccc1C[C@@H](C)O 258205635 572995820 /nfs/dbraw/zinc/99/58/20/572995820.db2.gz STRKALLPNILVCB-SSDOTTSWSA-N 0 0 198.287 2.037 10 0 AEAERN O[C@@H](CC1CCC1)C[C@H]1CCCCO1 128269252 572995888 /nfs/dbraw/zinc/99/58/88/572995888.db2.gz VOHFOGYYGZQVCW-NWDGAFQWSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@H](O)Cc1ccc2c(c1)SCO2 258205375 572995898 /nfs/dbraw/zinc/99/58/98/572995898.db2.gz YWSNLFLHEQFPCR-ZETCQYMHSA-N 0 0 196.271 2.052 10 0 AEAERN CCSc1cc(N)nc(C(C)C)n1 87909365 572995939 /nfs/dbraw/zinc/99/59/39/572995939.db2.gz OAETVZDHGGTNNW-UHFFFAOYSA-N 0 0 197.307 2.294 10 0 AEAERN CCC1=CC(Cl)(Cl)C(=O)O1 104525728 572995955 /nfs/dbraw/zinc/99/59/55/572995955.db2.gz HPCKUEVOOLDEAH-UHFFFAOYSA-N 0 0 181.018 2.011 10 0 AEAERN C[C@H](O)C[C@H]1COc2cccc(F)c21 257915849 572996016 /nfs/dbraw/zinc/99/60/16/572996016.db2.gz BSPGNKBIZPPHFC-YUMQZZPRSA-N 0 0 196.221 2.073 10 0 AEAERN CCCCc1c[nH]c2c(N)ncnc12 238241414 572995978 /nfs/dbraw/zinc/99/59/78/572995978.db2.gz LOUKZZWBXRDQEH-ZETCQYMHSA-N 0 0 190.250 2.049 10 0 AEAERN Cc1ncc(-c2ccccc2C=O)cn1 257915991 572996008 /nfs/dbraw/zinc/99/60/08/572996008.db2.gz XOXMCNIEPBRFNO-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN CCSCCc1nc(C2CC2)no1 308217867 572996516 /nfs/dbraw/zinc/99/65/16/572996516.db2.gz AZCYHEZYXQTBLF-UHFFFAOYSA-N 0 0 198.291 2.243 10 0 AEAERN CN(O)C12CC3CC(CC(C3)C1)C2 104526572 572996457 /nfs/dbraw/zinc/99/64/57/572996457.db2.gz LQBDSIVUMNKMSX-UHFFFAOYSA-N 0 0 181.279 2.276 10 0 AEAERN COC(=O)/C=C\[C@@H]1CCCCS1 258208036 572996505 /nfs/dbraw/zinc/99/65/05/572996505.db2.gz NVCOZLZQRYKXFN-SLGIHZDVSA-N 0 0 186.276 2.001 10 0 AEAERN CC(C)(C)C(=O)N1CCC[C@H]1C1CC1 82355256 572996531 /nfs/dbraw/zinc/99/65/31/572996531.db2.gz OMMFFCKBTQBYIC-JTQLQIEISA-N 0 0 195.306 2.434 10 0 AEAERN Cc1cc(C)c(Cl)c(CCON)c1 258205647 572996541 /nfs/dbraw/zinc/99/65/41/572996541.db2.gz STXCCZDBKMBBMJ-UHFFFAOYSA-N 0 0 199.681 2.390 10 0 AEAERN O[C@H](CC1CCC1)C[C@H]1CCCCO1 128268839 572996547 /nfs/dbraw/zinc/99/65/47/572996547.db2.gz VOHFOGYYGZQVCW-VXGBXAGGSA-N 0 0 198.306 2.497 10 0 AEAERN Cc1ccc(Cl)c(CNO)c1F 258207567 572996564 /nfs/dbraw/zinc/99/65/64/572996564.db2.gz ZBVHTTXEQNAUIH-UHFFFAOYSA-N 0 0 189.617 2.266 10 0 AEAERN C[C@@]12CCCC[C@@H]1CC[C@H]2O 113261615 572996624 /nfs/dbraw/zinc/99/66/24/572996624.db2.gz XRFAFHWDKTZOKV-OPRDCNLKSA-N 0 0 154.253 2.338 10 0 AEAERN Fc1cccc([C@@H]2CCCC[NH2+]2)n1 104526004 572996646 /nfs/dbraw/zinc/99/66/46/572996646.db2.gz FSDCORYMKPHRIH-QMMMGPOBSA-N 0 0 180.226 2.035 10 0 AEAERN CC(C)(C)ONC(=O)OC(C)(C)C 113283431 572996656 /nfs/dbraw/zinc/99/66/56/572996656.db2.gz DTIIGXDMDBVZTK-UHFFFAOYSA-N 0 0 189.255 2.241 10 0 AEAERN CC=C=C([C@@H](C)O)[Si](C)(C)C 238240657 572996809 /nfs/dbraw/zinc/99/68/09/572996809.db2.gz SGDJOZJMMKGTFO-BRFYHDHCSA-N 0 0 170.328 2.346 10 0 AEAERN O=Cc1ccc(Nc2cncnc2)cc1 258208679 572996822 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573016056 /nfs/dbraw/zinc/01/60/56/573016056.db2.gz YUAHCXCBNMGDQQ-UHFFFAOYSA-N 0 0 195.653 2.117 10 0 AEAERN COC(=O)C[C@@H]1CCCSCC1 259595415 573016091 /nfs/dbraw/zinc/01/60/91/573016091.db2.gz CGXXUAWEQPVVAN-MRVPVSSYSA-N 0 0 188.292 2.083 10 0 AEAERN CC(C)OCc1cncn1C(C)C 258226111 573016165 /nfs/dbraw/zinc/01/61/65/573016165.db2.gz PMRCZBPABFQMIC-UHFFFAOYSA-N 0 0 182.267 2.389 10 0 AEAERN CCC[C@@H](C)[C@@H](O)c1c(C)cnn1C 308475865 573016321 /nfs/dbraw/zinc/01/63/21/573016321.db2.gz KYNHKEIFKXEMRG-LDYMZIIASA-N 0 0 196.294 2.198 10 0 AEAERN CC(=O)[C@H]1COc2ccc(C)cc21 258224189 573016406 /nfs/dbraw/zinc/01/64/06/573016406.db2.gz WAVVVLHFLQSJMK-SNVBAGLBSA-N 0 0 176.215 2.060 10 0 AEAERN C[C@@H](CO)Cc1c[nH]c2ccccc12 113651425 573016448 /nfs/dbraw/zinc/01/64/48/573016448.db2.gz BITXRWVWKKTYDY-SECBINFHSA-N 0 0 189.258 2.339 10 0 AEAERN COc1ccc([C@@H](C)O)cc1SC 258224631 573016508 /nfs/dbraw/zinc/01/65/08/573016508.db2.gz VKEXSKJPBACUOD-SSDOTTSWSA-N 0 0 198.287 2.470 10 0 AEAERN 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573018440 /nfs/dbraw/zinc/01/84/40/573018440.db2.gz NFFIIHHMCKVUIJ-ZETCQYMHSA-N 0 0 187.189 2.348 10 0 AEAERN CC(=O)[C@@H]1COc2ccc(C)cc21 258224186 573018451 /nfs/dbraw/zinc/01/84/51/573018451.db2.gz WAVVVLHFLQSJMK-JTQLQIEISA-N 0 0 176.215 2.060 10 0 AEAERN ONCc1c(F)cc(F)c2ccoc12 258224489 573018459 /nfs/dbraw/zinc/01/84/59/573018459.db2.gz VHIIPXQRTCHJLB-UHFFFAOYSA-N 0 0 199.156 2.190 10 0 AEAERN C[C@H](OC(=O)[C@H]1CC1(C)C)C1CC1 308226656 573018481 /nfs/dbraw/zinc/01/84/81/573018481.db2.gz DZDJNRXDPYSWGK-IONNQARKSA-N 0 0 182.263 2.374 10 0 AEAERN Cc1c(N)[nH]c2ccccc12 104571589 573018550 /nfs/dbraw/zinc/01/85/50/573018550.db2.gz ITPBOYVJMDECCC-UHFFFAOYSA-N 0 0 146.193 2.059 10 0 AEAERN C[C@@H](OC(=O)C[C@H]1C[C@H]1C)C1CC1 308226704 573018574 /nfs/dbraw/zinc/01/85/74/573018574.db2.gz FAMNMYDMGTXEPE-NQMVMOMDSA-N 0 0 182.263 2.374 10 0 AEAERN CC1(C)COc2sc(C=O)cc2N1 82385061 573019006 /nfs/dbraw/zinc/01/90/06/573019006.db2.gz WLASMMYPFHGIHN-UHFFFAOYSA-N 0 0 197.259 2.144 10 0 AEAERN 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/nfs/dbraw/zinc/03/30/49/573033049.db2.gz UFWZCSHNZLDYMX-LBPRGKRZSA-N 0 0 191.274 2.398 10 0 AEAERN CCC[C@@H]1C(=O)[C@H]2CCC[C@@H]12 238249468 573033059 /nfs/dbraw/zinc/03/30/59/573033059.db2.gz PHCCPSIMKNLNED-CIUDSAMLSA-N 0 0 152.237 2.402 10 0 AEAERN CCC(=O)c1cccc2c1COC2 238248721 573033670 /nfs/dbraw/zinc/03/36/70/573033670.db2.gz MSZFAGVJFWXZFL-UHFFFAOYSA-N 0 0 176.215 2.310 10 0 AEAERN Cc1ccncc1[C@@H](O)C1CCC1 85441053 573033117 /nfs/dbraw/zinc/03/31/17/573033117.db2.gz HZNXGGQLQRQFDP-NSHDSACASA-N 0 0 177.247 2.224 10 0 AEAERN Cc1ccncc1[C@@H]1CCC(=O)[C@H]1C 85442705 573033248 /nfs/dbraw/zinc/03/32/48/573033248.db2.gz GQIQSIDNUJDFSW-VHSXEESVSA-N 0 0 189.258 2.473 10 0 AEAERN CN1N=CC(=O)C1C1CCCCC1 257930740 573033271 /nfs/dbraw/zinc/03/32/71/573033271.db2.gz SVRSRXJDOOPAND-UHFFFAOYSA-N 0 0 180.251 2.173 10 0 AEAERN Cc1ccncc1C(C)(C)C[C@H](C)O 85443026 573033287 /nfs/dbraw/zinc/03/32/87/573033287.db2.gz QFPKJGUPCLYDHH-JTQLQIEISA-N 0 0 193.290 2.439 10 0 AEAERN Cc1ccncc1[C@@H]1CCC(=O)[C@@H]1C 85442701 573033316 /nfs/dbraw/zinc/03/33/16/573033316.db2.gz GQIQSIDNUJDFSW-NXEZZACHSA-N 0 0 189.258 2.473 10 0 AEAERN Cc1ccncc1[C@H]1CCC[C@H](O)C1 85442982 573033349 /nfs/dbraw/zinc/03/33/49/573033349.db2.gz WCIFVTAMBJLHDV-QWRGUYRKSA-N 0 0 191.274 2.409 10 0 AEAERN Nc1c[nH]c2cc(=O)ccc-2c1Cl 258229957 573033360 /nfs/dbraw/zinc/03/33/60/573033360.db2.gz ZJPOXLYRDOPHFB-UHFFFAOYSA-N 0 0 194.621 2.176 10 0 AEAERN Cc1ccncc1[C@@]1(O)CC[C@@H](C)C1 85440480 573033449 /nfs/dbraw/zinc/03/34/49/573033449.db2.gz MMVNDNXOEPMDKW-BXKDBHETSA-N 0 0 191.274 2.398 10 0 AEAERN Cc1ccncc1[C@@H](O)CC(C)C 85440367 573033456 /nfs/dbraw/zinc/03/34/56/573033456.db2.gz ALGWVGKNJBTZFM-NSHDSACASA-N 0 0 179.263 2.470 10 0 AEAERN CC[C@@H]([NH3+])c1ccccc1[S-] 104578624 573033509 /nfs/dbraw/zinc/03/35/09/573033509.db2.gz LVVSSFGNNLMCDX-MRVPVSSYSA-N 0 0 167.277 2.385 10 0 AEAERN Cc1ccncc1[C@]1(O)CCC[C@H]1C 85440538 573033521 /nfs/dbraw/zinc/03/35/21/573033521.db2.gz JCNZRXSKCPAJSX-PWSUYJOCSA-N 0 0 191.274 2.398 10 0 AEAERN Cc1ccncc1[C@@]1(O)CCC[C@H]1C 85440540 573033562 /nfs/dbraw/zinc/03/35/62/573033562.db2.gz JCNZRXSKCPAJSX-ZYHUDNBSSA-N 0 0 191.274 2.398 10 0 AEAERN Cc1ccncc1C1=C[C@H](O)CCC1 85443036 573033602 /nfs/dbraw/zinc/03/36/02/573033602.db2.gz RZRJXEYDOGSZGN-LLVKDONJSA-N 0 0 189.258 2.318 10 0 AEAERN COC(=O)[C@H]1CCC[C@H]1n1cccc1 259597955 573033659 /nfs/dbraw/zinc/03/36/59/573033659.db2.gz CORSBCIMRJVOOJ-VHSXEESVSA-N 0 0 193.246 2.002 10 0 AEAERN Cc1ccncc1-c1ccc(N)nc1 85441865 573033736 /nfs/dbraw/zinc/03/37/36/573033736.db2.gz JHPLCIJMIMYYKX-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CCC[C@@H]([NH3+])c1cccc(F)c1N 104577626 573033786 /nfs/dbraw/zinc/03/37/86/573033786.db2.gz FUQWKPDVVZTTKM-SECBINFHSA-N 0 0 182.242 2.208 10 0 AEAERN Cc1ccncc1-c1cnc(N)s1 85441893 573033788 /nfs/dbraw/zinc/03/37/88/573033788.db2.gz XORFVPHRTQXMJJ-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1ccncc1[C@@H]1CC[C@@H](O)C1 85442977 573033810 /nfs/dbraw/zinc/03/38/10/573033810.db2.gz LINBMOMBMMJLTC-NXEZZACHSA-N 0 0 177.247 2.018 10 0 AEAERN Cc1ccncc1[C@H]1CCC(=O)[C@@H]1C 85442703 573033828 /nfs/dbraw/zinc/03/38/28/573033828.db2.gz GQIQSIDNUJDFSW-ZJUUUORDSA-N 0 0 189.258 2.473 10 0 AEAERN Cc1ccncc1C(=O)[C@@H]1C[C@@H]1C 85440938 573033873 /nfs/dbraw/zinc/03/38/73/573033873.db2.gz RNJAOLRJTKKWCW-DTWKUNHWSA-N 0 0 175.231 2.229 10 0 AEAERN CC[C@](O)(c1cnccc1C)C1CC1 85440531 573033894 /nfs/dbraw/zinc/03/38/94/573033894.db2.gz UFWZCSHNZLDYMX-GFCCVEGCSA-N 0 0 191.274 2.398 10 0 AEAERN Cc1coc(Oc2cccnc2)n1 257925816 573033904 /nfs/dbraw/zinc/03/39/04/573033904.db2.gz SBMDCBJZVQFDOZ-UHFFFAOYSA-N 0 0 176.175 2.170 10 0 AEAERN CC(C)C[C@@H](C)C(=O)c1cn[nH]c1 308235034 573033936 /nfs/dbraw/zinc/03/39/36/573033936.db2.gz VLBJLFPYQQDOQI-MRVPVSSYSA-N 0 0 180.251 2.275 10 0 AEAERN CC1(C)NC(=O)CC[C@H]2CCCC[C@H]21 238248743 573033946 /nfs/dbraw/zinc/03/39/46/573033946.db2.gz XNFLKAULGNWLRN-NXEZZACHSA-N 0 0 195.306 2.481 10 0 AEAERN CC(=O)C[C@H](C)c1cnccc1C 85442695 573033949 /nfs/dbraw/zinc/03/39/49/573033949.db2.gz ZDPATNQQWNFSPY-VIFPVBQESA-N 0 0 177.247 2.473 10 0 AEAERN Cn1ccnc1Oc1cccc(F)c1 257925831 573033967 /nfs/dbraw/zinc/03/39/67/573033967.db2.gz SCPBQNPCKKNVTJ-UHFFFAOYSA-N 0 0 192.193 2.352 10 0 AEAERN CC(C)(O)c1coc2cc(O)ccc12 257925193 573033978 /nfs/dbraw/zinc/03/39/78/573033978.db2.gz OZFYCOKNWDHGEM-UHFFFAOYSA-N 0 0 192.214 2.366 10 0 AEAERN Cc1ccncc1[C@@H]1CCCC[C@@H]1O 85442125 573034004 /nfs/dbraw/zinc/03/40/04/573034004.db2.gz IOFYONHPWSYSTG-JQWIXIFHSA-N 0 0 191.274 2.409 10 0 AEAERN CC1(C)C[C@]1(C)c1ncsc1N 717064546 573034017 /nfs/dbraw/zinc/03/40/17/573034017.db2.gz TZUVDZZQCVWFNT-SECBINFHSA-N 0 0 182.292 2.413 10 0 AEAERN CCCC(=O)C[C@H]1CCC[C@@]1(C)O 308235048 573034022 /nfs/dbraw/zinc/03/40/22/573034022.db2.gz VLVQNFFXEIBVOT-MWLCHTKSSA-N 0 0 184.279 2.297 10 0 AEAERN CC/C=C(\C)[C@H](O)[C@H](C)[C@@H](O)CC 308235194 573034032 /nfs/dbraw/zinc/03/40/32/573034032.db2.gz VTERRGDJPAEKBH-CHLJGWKXSA-N 0 0 186.295 2.111 10 0 AEAERN CC(C)C[C@@H](C)[C@@H](O)C(C)(C)CO 308235216 573034044 /nfs/dbraw/zinc/03/40/44/573034044.db2.gz VUDZKNLFRXDLES-NXEZZACHSA-N 0 0 188.311 2.048 10 0 AEAERN Cc1ccncc1[C@H]1CCCC[C@@H]1O 85442126 573034056 /nfs/dbraw/zinc/03/40/56/573034056.db2.gz IOFYONHPWSYSTG-PWSUYJOCSA-N 0 0 191.274 2.409 10 0 AEAERN CCC[C@@H]1C(=O)[C@@H]2CC=C[C@@H]12 238249417 573034275 /nfs/dbraw/zinc/03/42/75/573034275.db2.gz CCDOVRLARMRUQU-XHNCKOQMSA-N 0 0 150.221 2.178 10 0 AEAERN CC/C=C(/C)[C@H](O)[C@H](C)[C@H](O)CC 308235197 573034081 /nfs/dbraw/zinc/03/40/81/573034081.db2.gz VTERRGDJPAEKBH-WUKCQNDDSA-N 0 0 186.295 2.111 10 0 AEAERN Cc1ccncc1[C@H](O)C1CCC1 85441051 573034084 /nfs/dbraw/zinc/03/40/84/573034084.db2.gz HZNXGGQLQRQFDP-LLVKDONJSA-N 0 0 177.247 2.224 10 0 AEAERN O[C@H]1CCCC[C@H]1Cn1cccc1 123470507 573034127 /nfs/dbraw/zinc/03/41/27/573034127.db2.gz JHVFCQODXFVSFN-QWRGUYRKSA-N 0 0 179.263 2.039 10 0 AEAERN CC1(C)[C@H]2C[C@]1(C)CCC2=O 238249598 573034166 /nfs/dbraw/zinc/03/41/66/573034166.db2.gz YFFIJOGJVCTWNB-XVKPBYJWSA-N 0 0 152.237 2.402 10 0 AEAERN CC[C@@H](O)C[C@@H](O)C1CCCCC1 308236494 573034204 /nfs/dbraw/zinc/03/42/04/573034204.db2.gz WEXVZIJPLZHHHO-GHMZBOCLSA-N 0 0 186.295 2.089 10 0 AEAERN CCc1nc(C(C)(C)C)nc(N)c1C 82442905 573034253 /nfs/dbraw/zinc/03/42/53/573034253.db2.gz SYGJWUAOTRLMFL-UHFFFAOYSA-N 0 0 193.294 2.227 10 0 AEAERN CC1=C[C@@H]2CC(C)(C)[C@H]1C2=O 238249650 573034293 /nfs/dbraw/zinc/03/42/93/573034293.db2.gz PAGYLDYKXMUDIG-HTQZYQBOSA-N 0 0 150.221 2.178 10 0 AEAERN CCCC(=O)C[C@H]1CCC[C@]1(C)O 308235047 573034295 /nfs/dbraw/zinc/03/42/95/573034295.db2.gz VLVQNFFXEIBVOT-KOLCDFICSA-N 0 0 184.279 2.297 10 0 AEAERN C[C@H](CC1CC1)Nc1cc(N)ns1 235442141 573034346 /nfs/dbraw/zinc/03/43/46/573034346.db2.gz DSCRYZAYRNFERA-ZCFIWIBFSA-N 0 0 197.307 2.326 10 0 AEAERN COC(=O)[C@@H](F)C1CCCCC1 257927070 573034509 /nfs/dbraw/zinc/03/45/09/573034509.db2.gz SGLHFKHVOSJDGH-QMMMGPOBSA-N 0 0 174.215 2.078 10 0 AEAERN COC(=O)[C@@H]1CCC[C@H]1n1cccc1 259597949 573034520 /nfs/dbraw/zinc/03/45/20/573034520.db2.gz CORSBCIMRJVOOJ-NXEZZACHSA-N 0 0 193.246 2.002 10 0 AEAERN CCOc1cccc2c(CO)c[nH]c12 77011581 573034532 /nfs/dbraw/zinc/03/45/32/573034532.db2.gz SQERSTOABDQAAN-UHFFFAOYSA-N 0 0 191.230 2.059 10 0 AEAERN N[C@H]([C@@H]1CC=CCC1)C(F)(F)F 104580811 573034537 /nfs/dbraw/zinc/03/45/37/573034537.db2.gz BSBYIQQBKGLLMG-RNFRBKRXSA-N 0 0 179.185 2.232 10 0 AEAERN CNc1nccc(-c2cccs2)n1 82442096 573034554 /nfs/dbraw/zinc/03/45/54/573034554.db2.gz SHEJRXARCAMTFY-UHFFFAOYSA-N 0 0 191.259 2.247 10 0 AEAERN CC(=O)c1scnc1C1CC1 82435073 573034609 /nfs/dbraw/zinc/03/46/09/573034609.db2.gz SZEGVNHMDBWIJL-UHFFFAOYSA-N 0 0 167.233 2.223 10 0 AEAERN CCn1cc(CO)c2cc(F)ccc21 77013016 573034628 /nfs/dbraw/zinc/03/46/28/573034628.db2.gz VCYRJDBHJDDSRJ-UHFFFAOYSA-N 0 0 193.221 2.293 10 0 AEAERN CC1(C)NC(=O)CC[C@@H]2CCCC[C@H]21 238248716 573034635 /nfs/dbraw/zinc/03/46/35/573034635.db2.gz XNFLKAULGNWLRN-VHSXEESVSA-N 0 0 195.306 2.481 10 0 AEAERN CC[C@H](C)c1ccnc(NC)n1 82445123 573034657 /nfs/dbraw/zinc/03/46/57/573034657.db2.gz DSUJDPRUFGZZCL-ZETCQYMHSA-N 0 0 165.240 2.032 10 0 AEAERN C[C@@H](O)c1nc(-c2ccccc2)c[nH]1 141806871 573034667 /nfs/dbraw/zinc/03/46/67/573034667.db2.gz VXUQMDINNNKHRS-MRVPVSSYSA-N 0 0 188.230 2.130 10 0 AEAERN CCc1nc(CC(C)C)nc(N)c1C 82442996 573034675 /nfs/dbraw/zinc/03/46/75/573034675.db2.gz GYBTUIGHGIKFIA-UHFFFAOYSA-N 0 0 193.294 2.128 10 0 AEAERN CCNc1nc(CC)nc(CC)c1C 82443826 573034774 /nfs/dbraw/zinc/03/47/74/573034774.db2.gz ORYMCBXULXVEKG-UHFFFAOYSA-N 0 0 193.294 2.342 10 0 AEAERN COC(=O)C(F)(F)CCC(C)C 257925743 573034784 /nfs/dbraw/zinc/03/47/84/573034784.db2.gz SCHMPWSLAAFDDV-UHFFFAOYSA-N 0 0 180.194 2.231 10 0 AEAERN CNc1ncc(Cc2cccs2)o1 258526700 573034879 /nfs/dbraw/zinc/03/48/79/573034879.db2.gz GTZKJEXNHVZJRZ-UHFFFAOYSA-N 0 0 194.259 2.369 10 0 AEAERN CCn1cc(CO)c2cc(C)ccc21 77010200 573034917 /nfs/dbraw/zinc/03/49/17/573034917.db2.gz JYXMRMYSWREURZ-UHFFFAOYSA-N 0 0 189.258 2.462 10 0 AEAERN CCC[C@H](C)[C@H](NN)c1cccnc1 128410133 573034938 /nfs/dbraw/zinc/03/49/38/573034938.db2.gz KGXNMWCSDIQGSW-ONGXEEELSA-N 0 0 193.294 2.022 10 0 AEAERN CNc1nccc(-c2ccsc2)n1 82442130 573034974 /nfs/dbraw/zinc/03/49/74/573034974.db2.gz JKECYWGOUVEULF-UHFFFAOYSA-N 0 0 191.259 2.247 10 0 AEAERN CC1=C[C@@H]2CC(C)(C)[C@H]1C[C@@H]2O 238249671 573034976 /nfs/dbraw/zinc/03/49/76/573034976.db2.gz YMHLAODTFWNGIQ-UTLUCORTSA-N 0 0 166.264 2.360 10 0 AEAERN CC[C@@H]1CCc2nc(NC)ncc2C1 82442091 573035034 /nfs/dbraw/zinc/03/50/34/573035034.db2.gz RAYHMWNYVAKGJA-MRVPVSSYSA-N 0 0 191.278 2.033 10 0 AEAERN CC[C@@H](O)C[C@H](O)C1CCCCC1 308236503 573035070 /nfs/dbraw/zinc/03/50/70/573035070.db2.gz WEXVZIJPLZHHHO-MNOVXSKESA-N 0 0 186.295 2.089 10 0 AEAERN CC(=O)[C@@H](F)C[C@H]1CCCS1 257925765 573035081 /nfs/dbraw/zinc/03/50/81/573035081.db2.gz SCXAQGPAYQQONO-SFYZADRCSA-N 0 0 176.256 2.199 10 0 AEAERN C[C@H](O)c1nc(-c2ccccc2)c[nH]1 141807094 573035084 /nfs/dbraw/zinc/03/50/84/573035084.db2.gz VXUQMDINNNKHRS-QMMMGPOBSA-N 0 0 188.230 2.130 10 0 AEAERN Cc1cccc(N(C)C)c1C1(O)CC1 259597787 573035103 /nfs/dbraw/zinc/03/51/03/573035103.db2.gz ZLFUKIRPPVGWPQ-UHFFFAOYSA-N 0 0 191.274 2.042 10 0 AEAERN CCOc1cccc2c1CCC[C@H]2O 82435400 573035122 /nfs/dbraw/zinc/03/51/22/573035122.db2.gz BTVFNWRWHNIRHO-LLVKDONJSA-N 0 0 192.258 2.455 10 0 AEAERN CCCC(=O)C[C@@H]1CCC[C@@]1(C)O 308235046 573035126 /nfs/dbraw/zinc/03/51/26/573035126.db2.gz VLVQNFFXEIBVOT-GXSJLCMTSA-N 0 0 184.279 2.297 10 0 AEAERN C[C@H](CC1CC1)NC(=O)C(C)(C)F 308235198 573035163 /nfs/dbraw/zinc/03/51/63/573035163.db2.gz VTHBYVSEEYQRSX-SSDOTTSWSA-N 0 0 187.258 2.039 10 0 AEAERN C[C@@H](CC1CC1)NC(=O)C(C)(C)F 308235199 573035204 /nfs/dbraw/zinc/03/52/04/573035204.db2.gz VTHBYVSEEYQRSX-ZETCQYMHSA-N 0 0 187.258 2.039 10 0 AEAERN CC1=C([C@H](O)c2ccccc2)C1 238249689 573035307 /nfs/dbraw/zinc/03/53/07/573035307.db2.gz MDHIETNADDYMJP-LLVKDONJSA-N 0 0 160.216 2.440 10 0 AEAERN CC[C@H](OC)c1noc(C2CC2)n1 308234978 573035335 /nfs/dbraw/zinc/03/53/35/573035335.db2.gz QMQQYDFBHOMSPI-ZETCQYMHSA-N 0 0 182.223 2.045 10 0 AEAERN CCC(=O)n1ccc2c(O)cccc21 238249166 573035356 /nfs/dbraw/zinc/03/53/56/573035356.db2.gz GOMGWGGBCPKDKT-UHFFFAOYSA-N 0 0 189.214 2.397 10 0 AEAERN c1cc2ccc3n[nH]cc3c2cn1 113862468 573035417 /nfs/dbraw/zinc/03/54/17/573035417.db2.gz PGUJOAOYKQFMHB-UHFFFAOYSA-N 0 0 169.187 2.111 10 0 AEAERN CCC(C)(C)[C@H](NN)c1cccnc1 128437541 573035424 /nfs/dbraw/zinc/03/54/24/573035424.db2.gz BCZAEUVTVQDURB-SNVBAGLBSA-N 0 0 193.294 2.022 10 0 AEAERN CCC(=O)c1ccc2oncc2c1 238248525 573035435 /nfs/dbraw/zinc/03/54/35/573035435.db2.gz UANDADGNKFEPEL-UHFFFAOYSA-N 0 0 175.187 2.421 10 0 AEAERN Fc1c[nH]nc1-c1ccccc1 141808963 573035461 /nfs/dbraw/zinc/03/54/61/573035461.db2.gz RFSKMSUCECRGSS-UHFFFAOYSA-N 0 0 162.167 2.216 10 0 AEAERN CC(c1ccc[nH]1)c1ccc[nH]1 113869291 573035549 /nfs/dbraw/zinc/03/55/49/573035549.db2.gz KOYRXCLAHDBAQC-UHFFFAOYSA-N 0 0 160.220 2.495 10 0 AEAERN CCC(CC)[C@@H](O)c1cn(C)nc1C 128440640 573035582 /nfs/dbraw/zinc/03/55/82/573035582.db2.gz IVBBNYDTOMXLDU-LLVKDONJSA-N 0 0 196.294 2.198 10 0 AEAERN c1cc2c([nH]1)CCCCC2 104582288 573035604 /nfs/dbraw/zinc/03/56/04/573035604.db2.gz PSWWJFXURJCADQ-UHFFFAOYSA-N 0 0 135.210 2.284 10 0 AEAERN OCc1cn(CCF)c2ccccc12 77009538 573035625 /nfs/dbraw/zinc/03/56/25/573035625.db2.gz LMCSRYLONCHMNB-UHFFFAOYSA-N 0 0 193.221 2.103 10 0 AEAERN CC1=C([C@H](O)Cc2ccccc2)C1 238249666 573036295 /nfs/dbraw/zinc/03/62/95/573036295.db2.gz JXQDPLZLUVPCKB-GFCCVEGCSA-N 0 0 174.243 2.310 10 0 AEAERN CCC(C)(C)[C@@H](NN)c1cccnc1 128437800 573035650 /nfs/dbraw/zinc/03/56/50/573035650.db2.gz BCZAEUVTVQDURB-JTQLQIEISA-N 0 0 193.294 2.022 10 0 AEAERN N[C@@H]([C@@H]1CC=CCC1)C(F)(F)F 104580807 573035666 /nfs/dbraw/zinc/03/56/66/573035666.db2.gz BSBYIQQBKGLLMG-RQJHMYQMSA-N 0 0 179.185 2.232 10 0 AEAERN CC1=C([C@@H](O)c2ccccc2)C1 238249336 573035808 /nfs/dbraw/zinc/03/58/08/573035808.db2.gz MDHIETNADDYMJP-NSHDSACASA-N 0 0 160.216 2.440 10 0 AEAERN CCC(CC)OC(=O)C(C)(C)OC 308234847 573035685 /nfs/dbraw/zinc/03/56/85/573035685.db2.gz QIYQJRWAATUJFZ-UHFFFAOYSA-N 0 0 188.267 2.143 10 0 AEAERN CC(C)(O)[C@@H]1COc2ccc(F)cc21 257926052 573035694 /nfs/dbraw/zinc/03/56/94/573035694.db2.gz CJWROVWTIWUGAS-SECBINFHSA-N 0 0 196.221 2.073 10 0 AEAERN CC(C)(O)[C@H]1COc2ccc(F)cc21 257926054 573035711 /nfs/dbraw/zinc/03/57/11/573035711.db2.gz CJWROVWTIWUGAS-VIFPVBQESA-N 0 0 196.221 2.073 10 0 AEAERN c1cc(N2CCCC2)c2cc[nH]c2n1 141785695 573035733 /nfs/dbraw/zinc/03/57/33/573035733.db2.gz BMRINTSNEGBJJM-UHFFFAOYSA-N 0 0 187.246 2.163 10 0 AEAERN CC/C=C(/C)[C@H](O)[C@H](C)[C@@H](O)CC 308235195 573035783 /nfs/dbraw/zinc/03/57/83/573035783.db2.gz VTERRGDJPAEKBH-DCOWIPOFSA-N 0 0 186.295 2.111 10 0 AEAERN CCCc1noc(C)c1C(C)=O 141785507 573035830 /nfs/dbraw/zinc/03/58/30/573035830.db2.gz ZLOVUHISKXPWEQ-UHFFFAOYSA-N 0 0 167.208 2.138 10 0 AEAERN CCn1cc(CO)c2cccc(C)c21 77015610 573036755 /nfs/dbraw/zinc/03/67/55/573036755.db2.gz WOUSUSUQVMJZLV-UHFFFAOYSA-N 0 0 189.258 2.462 10 0 AEAERN CCc1nc([C@@H](C)CC)[nH]c(=O)c1C 82442224 573035885 /nfs/dbraw/zinc/03/58/85/573035885.db2.gz YURUEJXOKWTROJ-ZETCQYMHSA-N 0 0 194.278 2.154 10 0 AEAERN Cc1cnc(N)nc1-c1cccs1 82442069 573035904 /nfs/dbraw/zinc/03/59/04/573035904.db2.gz DFOFWAULPOYYTR-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN CC1(C)C[C@@]1(C)c1ncsc1N 717064548 573035953 /nfs/dbraw/zinc/03/59/53/573035953.db2.gz TZUVDZZQCVWFNT-VIFPVBQESA-N 0 0 182.292 2.413 10 0 AEAERN Oc1cc(=S)[nH]cc1Cl 113877740 573035959 /nfs/dbraw/zinc/03/59/59/573035959.db2.gz IGYZGRSDEZPSMZ-UHFFFAOYSA-N 0 0 161.613 2.103 10 0 AEAERN C[C@@H](O)c1nc(C2CCCCC2)no1 82430371 573035994 /nfs/dbraw/zinc/03/59/94/573035994.db2.gz YYQPCSXMVJEWIR-SSDOTTSWSA-N 0 0 196.250 2.171 10 0 AEAERN CC(=O)[C@@H]1CSc2ccc(O)cc21 257926065 573036083 /nfs/dbraw/zinc/03/60/83/573036083.db2.gz CJXWULHGSKOVCG-VIFPVBQESA-N 0 0 194.255 2.171 10 0 AEAERN Cc1cnnc(N[C@H](C)CC2CC2)c1 235441603 573036123 /nfs/dbraw/zinc/03/61/23/573036123.db2.gz IQNILBRGFIBNEY-SECBINFHSA-N 0 0 191.278 2.386 10 0 AEAERN C[C@H]1OCC[C@]1(C)n1cccc1 235691254 573036205 /nfs/dbraw/zinc/03/62/05/573036205.db2.gz UTABQRNKUUOHGV-ZJUUUORDSA-N 0 0 165.236 2.012 10 0 AEAERN O=C1[C@H]2C[C@H]2C2(CC2)N1c1ccccc1 257927150 573036275 /nfs/dbraw/zinc/03/62/75/573036275.db2.gz ZCYYLTFGPXMXJY-WDEREUQCSA-N 0 0 199.253 2.202 10 0 AEAERN CCc1nc([C@H](C)CC)nc(N)c1C 82444343 573036360 /nfs/dbraw/zinc/03/63/60/573036360.db2.gz GOKCTMVAFIVYDM-SSDOTTSWSA-N 0 0 193.294 2.443 10 0 AEAERN O=C1[C@@H]2C[C@@H]2C2(CC2)N1c1ccccc1 257927142 573036395 /nfs/dbraw/zinc/03/63/95/573036395.db2.gz ZCYYLTFGPXMXJY-MNOVXSKESA-N 0 0 199.253 2.202 10 0 AEAERN C=C/C=C/c1ccc(N)cc1 104582217 573036409 /nfs/dbraw/zinc/03/64/09/573036409.db2.gz RDIWYXHKJAJMLP-ONEGZZNKSA-N 0 0 145.205 2.468 10 0 AEAERN COC(=O)[C@H]1CCC[C@@H]1n1cccc1 259597953 573036467 /nfs/dbraw/zinc/03/64/67/573036467.db2.gz CORSBCIMRJVOOJ-UWVGGRQHSA-N 0 0 193.246 2.002 10 0 AEAERN Cc1cc(C)c2c(c1)CCC(=O)N2 113825817 573036478 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/nfs/dbraw/zinc/04/03/99/573040399.db2.gz CQSNQNKMHHEETD-YUMQZZPRSA-N 0 0 170.252 2.232 10 0 AEAERN C[C@@H]1CCc2cccc(N)c21 104585249 573040417 /nfs/dbraw/zinc/04/04/17/573040417.db2.gz VNCPXXRZQSNQIK-SSDOTTSWSA-N 0 0 147.221 2.319 10 0 AEAERN CC(C)(O)Cc1cccc2[nH]ccc12 257928126 573040480 /nfs/dbraw/zinc/04/04/80/573040480.db2.gz PJKKNEMYBPDDDX-UHFFFAOYSA-N 0 0 189.258 2.481 10 0 AEAERN CCC(C(N)=O)=C1CCCCC1 238250146 573040489 /nfs/dbraw/zinc/04/04/89/573040489.db2.gz WGONPVFAODTSSO-UHFFFAOYSA-N 0 0 167.252 2.142 10 0 AEAERN O[C@H](C[C@@H]1CC=CCC1)C1CSC1 404794308 573040544 /nfs/dbraw/zinc/04/05/44/573040544.db2.gz MNJQWUPYRNIDGN-MWLCHTKSSA-N 0 0 198.331 2.457 10 0 AEAERN CCCC(=N)NC(=O)C(CC)CC 308236673 573040585 /nfs/dbraw/zinc/04/05/85/573040585.db2.gz QZPCCWTVSVIOBZ-UHFFFAOYSA-N 0 0 184.283 2.316 10 0 AEAERN CCN1N=CC(=O)C1C1CCCC1 257933364 573040743 /nfs/dbraw/zinc/04/07/43/573040743.db2.gz TXJKIBGWYVKHQR-UHFFFAOYSA-N 0 0 180.251 2.266 10 0 AEAERN Cc1cccc(-c2noc(Cl)n2)n1 82451817 573040771 /nfs/dbraw/zinc/04/07/71/573040771.db2.gz IMZDGZIGUSVLAX-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN CCC[C@@H](O)c1cccc(C)n1 82451435 573040792 /nfs/dbraw/zinc/04/07/92/573040792.db2.gz SNPOAEZHSYTMSK-SNVBAGLBSA-N 0 0 165.236 2.224 10 0 AEAERN CC(C)(O)c1coc2c(O)cccc12 257928244 573040900 /nfs/dbraw/zinc/04/09/00/573040900.db2.gz PMTPPOMEUWLIIO-UHFFFAOYSA-N 0 0 192.214 2.366 10 0 AEAERN C=C/C=C/[C@H](O)[C@H](O)CCCCC 308237568 573040908 /nfs/dbraw/zinc/04/09/08/573040908.db2.gz WSKSFXTXMOCQFA-YBFGJNSCSA-N 0 0 184.279 2.031 10 0 AEAERN CCO[C@@H]1CC(=O)[C@@H]1C(C)(C)C 238262654 573042802 /nfs/dbraw/zinc/04/28/02/573042802.db2.gz SDLBNYADGWZGAT-BDAKNGLRSA-N 0 0 170.252 2.027 10 0 AEAERN Cc1cccc([C@@H](O)C(C)(C)C)n1 82451312 573041046 /nfs/dbraw/zinc/04/10/46/573041046.db2.gz IAGHBFJCXWFZRN-SNVBAGLBSA-N 0 0 179.263 2.470 10 0 AEAERN CC(C)N1N=CC(=O)C1C(C)(C)C 257928163 573041087 /nfs/dbraw/zinc/04/10/87/573041087.db2.gz SOOILEGGKHYKMD-UHFFFAOYSA-N 0 0 182.267 2.467 10 0 AEAERN CC(=O)CCSc1ccco1 141841784 573041251 /nfs/dbraw/zinc/04/12/51/573041251.db2.gz NPYCPNXVVCRMLT-UHFFFAOYSA-N 0 0 170.233 2.351 10 0 AEAERN CO[C@@](C)(CO)C1CCCCCC1 257933461 573041294 /nfs/dbraw/zinc/04/12/94/573041294.db2.gz TZLJEXJJCRFKMP-NSHDSACASA-N 0 0 186.295 2.354 10 0 AEAERN Cc1ccc2c(c1)C[C@@H](C[C@@H](C)O)N2 257927884 573041387 /nfs/dbraw/zinc/04/13/87/573041387.db2.gz COJFTXKZPNIKIE-MWLCHTKSSA-N 0 0 191.274 2.103 10 0 AEAERN CCC[C@@H](O)[C@@H]1C=CCC1 238260488 573041500 /nfs/dbraw/zinc/04/15/00/573041500.db2.gz XUTRUTNJPSZNML-RKDXNWHRSA-N 0 0 140.226 2.114 10 0 AEAERN CC[C@@H](O)[C@H](C)CCCF 88026755 573041735 /nfs/dbraw/zinc/04/17/35/573041735.db2.gz KPOYTZWMOSOYMW-HTQZYQBOSA-N 0 0 148.221 2.143 10 0 AEAERN N#CNc1ccc(-c2ccccc2)nn1 259319635 573041578 /nfs/dbraw/zinc/04/15/78/573041578.db2.gz PNYAQRRXODLQEZ-UHFFFAOYSA-N 0 0 196.213 2.037 10 0 AEAERN Cc1n[nH]cc1Nc1cccc(O)c1 259599365 573041739 /nfs/dbraw/zinc/04/17/39/573041739.db2.gz DASZXCJALFUPGH-UHFFFAOYSA-N 0 0 189.218 2.167 10 0 AEAERN Oc1ccccc1[C@@]12CC[C@@H](CO1)C2 257927447 573041657 /nfs/dbraw/zinc/04/16/57/573041657.db2.gz BFVZIBOORFXHMY-SKDRFNHKSA-N 0 0 190.242 2.418 10 0 AEAERN Cc1cccc2c1[C@H](CCO)CC2 257933414 573041664 /nfs/dbraw/zinc/04/16/64/573041664.db2.gz TYIRAXHBWXPDAU-NSHDSACASA-N 0 0 176.259 2.407 10 0 AEAERN CC(C)c1cccc2nc(N)nc-2c1 224816696 573041687 /nfs/dbraw/zinc/04/16/87/573041687.db2.gz WXZYGAXFKOZNAZ-UHFFFAOYSA-N 0 0 187.246 2.287 10 0 AEAERN CO[C@]1(C)CC[C@H](CC(C)=O)C1 224806859 573041714 /nfs/dbraw/zinc/04/17/14/573041714.db2.gz KTWQUQNQXVBRGE-NXEZZACHSA-N 0 0 170.252 2.171 10 0 AEAERN CC[C@](C)(CO)c1ccc(F)cc1 141831085 573041717 /nfs/dbraw/zinc/04/17/17/573041717.db2.gz FGUGMBUCJIFPEG-LLVKDONJSA-N 0 0 182.238 2.486 10 0 AEAERN CC(=O)C(F)(F)C(C)(C)C 257933868 573042855 /nfs/dbraw/zinc/04/28/55/573042855.db2.gz BAFKSNILHREXCY-UHFFFAOYSA-N 0 0 150.168 2.257 10 0 AEAERN CC[C@H]1C[C@]1(O)c1cc(OC)cs1 88032753 573042987 /nfs/dbraw/zinc/04/29/87/573042987.db2.gz QHXGBTLODBNYPZ-OIBJUYFYSA-N 0 0 198.287 2.374 10 0 AEAERN CC[C@@H](Cc1ccoc1)[C@H](C)O 131860964 573043645 /nfs/dbraw/zinc/04/36/45/573043645.db2.gz REGKWSDCALFSTJ-WPRPVWTQSA-N 0 0 168.236 2.229 10 0 AEAERN CCC[C@@H](CC)OC(=O)COCC 308233053 573042383 /nfs/dbraw/zinc/04/23/83/573042383.db2.gz PSNZNYJTWNQEFV-SECBINFHSA-N 0 0 188.267 2.145 10 0 AEAERN C[C@@H](C[C@@H](C)O)OCC1CCCC1 85488951 573042391 /nfs/dbraw/zinc/04/23/91/573042391.db2.gz UIBMINPIQJGENJ-ZJUUUORDSA-N 0 0 186.295 2.353 10 0 AEAERN CC1=CC[C@H]2C(=O)CC[C@@]12C 238260451 573042424 /nfs/dbraw/zinc/04/24/24/573042424.db2.gz VDIKHXDTANRJIL-WPRPVWTQSA-N 0 0 150.221 2.322 10 0 AEAERN Cc1cccc2c1[C@@H](CCO)CC2 257933412 573042476 /nfs/dbraw/zinc/04/24/76/573042476.db2.gz TYIRAXHBWXPDAU-LLVKDONJSA-N 0 0 176.259 2.407 10 0 AEAERN COCc1nccc2ccccc12 141841604 573042482 /nfs/dbraw/zinc/04/24/82/573042482.db2.gz KJWTZYDDEHMKMH-UHFFFAOYSA-N 0 0 173.215 2.381 10 0 AEAERN CC[C@@H](O)[C@@H](C)CCCF 88026753 573044713 /nfs/dbraw/zinc/04/47/13/573044713.db2.gz KPOYTZWMOSOYMW-JGVFFNPUSA-N 0 0 148.221 2.143 10 0 AEAERN CCC(CC)(CO)[C@H](C)COC 128457619 573042536 /nfs/dbraw/zinc/04/25/36/573042536.db2.gz QVLKDXPDMSNECV-SECBINFHSA-N 0 0 174.284 2.068 10 0 AEAERN CC[C@@H](CCCF)[C@@H](C)O 88026688 573042811 /nfs/dbraw/zinc/04/28/11/573042811.db2.gz RZMBUYIJQIDJSF-SFYZADRCSA-N 0 0 148.221 2.143 10 0 AEAERN CC1=CC[C@H]2CC(=O)C[C@H]2C1 238260590 573042583 /nfs/dbraw/zinc/04/25/83/573042583.db2.gz LZORFRNCUCNLDQ-DTWKUNHWSA-N 0 0 150.221 2.322 10 0 AEAERN OC1(CC[C@H]2CCCSC2)CC1 257934223 573042615 /nfs/dbraw/zinc/04/26/15/573042615.db2.gz HKPWLXYLCQXQPK-SECBINFHSA-N 0 0 186.320 2.435 10 0 AEAERN CCC[C@H](CC)OC 113964597 573042641 /nfs/dbraw/zinc/04/26/41/573042641.db2.gz QNJRNZBXNCPKHQ-ZETCQYMHSA-N 0 0 116.204 2.212 10 0 AEAERN CC[C@H](C)[C@H](O)[C@H](C)CC 113889973 573042847 /nfs/dbraw/zinc/04/28/47/573042847.db2.gz ZKXITRNXHWEQJU-AYMMMOKOSA-N 0 0 144.258 2.440 10 0 AEAERN CC(C)C1=C[C@H]2C(=O)C[C@H]2C1 223862756 573042679 /nfs/dbraw/zinc/04/26/79/573042679.db2.gz VRHOAQBYDLCVBL-RKDXNWHRSA-N 0 0 150.221 2.178 10 0 AEAERN Cc1ccc(F)c2c1C[C@H](C)[C@H]2O 235692087 573042680 /nfs/dbraw/zinc/04/26/80/573042680.db2.gz PQBYEKOMNAKNSR-WRWORJQWSA-N 0 0 180.222 2.360 10 0 AEAERN CCC(=O)c1sccc1OC 88028994 573042723 /nfs/dbraw/zinc/04/27/23/573042723.db2.gz KGKYFYSPEPVORO-UHFFFAOYSA-N 0 0 170.233 2.349 10 0 AEAERN CCc1cc(C=O)c(OC)cc1F 257933397 573042725 /nfs/dbraw/zinc/04/27/25/573042725.db2.gz TXZLUCIGYJYDAE-UHFFFAOYSA-N 0 0 182.194 2.209 10 0 AEAERN CC[C@H](O)[C@@H](C)CCCF 88026752 573042763 /nfs/dbraw/zinc/04/27/63/573042763.db2.gz KPOYTZWMOSOYMW-YUMQZZPRSA-N 0 0 148.221 2.143 10 0 AEAERN OCc1cc2cc(O)ccc2s1 113918013 573042860 /nfs/dbraw/zinc/04/28/60/573042860.db2.gz LKYATJYQGOWRKB-UHFFFAOYSA-N 0 0 180.228 2.099 10 0 AEAERN O=C1CCCC[C@H]1CCCF 88025981 573042906 /nfs/dbraw/zinc/04/29/06/573042906.db2.gz YRIQTRVOAMRRCA-QMMMGPOBSA-N 0 0 158.216 2.495 10 0 AEAERN CCCC(=O)CCCCF 88025972 573042918 /nfs/dbraw/zinc/04/29/18/573042918.db2.gz HVMWBPCPWRKHAL-UHFFFAOYSA-N 0 0 146.205 2.495 10 0 AEAERN Cc1ccc2c(c1)[C@H](F)CN2 257934026 573043090 /nfs/dbraw/zinc/04/30/90/573043090.db2.gz BCUIIFOAEGUYKP-MRVPVSSYSA-N 0 0 151.184 2.431 10 0 AEAERN CC[C@@H]1C[C@]1(O)c1sccc1OC 88032743 573043108 /nfs/dbraw/zinc/04/31/08/573043108.db2.gz NQRUSNBJOHYTAR-GMSGAONNSA-N 0 0 198.287 2.374 10 0 AEAERN CC[C@@H](C)Nc1ncnc(OC)c1C 85485190 573044729 /nfs/dbraw/zinc/04/47/29/573044729.db2.gz HVQMSUZYAYUOGT-SSDOTTSWSA-N 0 0 195.266 2.004 10 0 AEAERN O[C@H]1CCCC[C@H]1CCCF 88026700 573043163 /nfs/dbraw/zinc/04/31/63/573043163.db2.gz MNSVGDOTZMPUKB-IUCAKERBSA-N 0 0 160.232 2.287 10 0 AEAERN COC[C@H](C)[C@H](CO)c1ccccc1 128464387 573043164 /nfs/dbraw/zinc/04/31/64/573043164.db2.gz JXAUDCYIRDZSMA-JQWIXIFHSA-N 0 0 194.274 2.045 10 0 AEAERN CC(C)Nc1cc(OC(C)C)ncn1 85485607 573043263 /nfs/dbraw/zinc/04/32/63/573043263.db2.gz ZLBYAZMJXNHLNY-UHFFFAOYSA-N 0 0 195.266 2.084 10 0 AEAERN CCC[C@@H](O)CCCCF 88026693 573043306 /nfs/dbraw/zinc/04/33/06/573043306.db2.gz YWDBDATZVWVTNS-MRVPVSSYSA-N 0 0 148.221 2.287 10 0 AEAERN CC(C)C1=C[C@@H]2C(=O)C[C@H]2C1 223862809 573043381 /nfs/dbraw/zinc/04/33/81/573043381.db2.gz VRHOAQBYDLCVBL-BDAKNGLRSA-N 0 0 150.221 2.178 10 0 AEAERN CC[C@@H](F)CN[C@H](C(F)F)C1CC1 308248129 573043401 /nfs/dbraw/zinc/04/34/01/573043401.db2.gz YVYGVTOWQPRIGL-SFYZADRCSA-N 0 0 195.228 2.368 10 0 AEAERN CC[C@@H]1C[C@@]1(O)c1cc(OC)cs1 88032755 573043409 /nfs/dbraw/zinc/04/34/09/573043409.db2.gz QHXGBTLODBNYPZ-XCBNKYQSSA-N 0 0 198.287 2.374 10 0 AEAERN CCCCOC(=O)[C@H]1CC[C@H](F)C1 308247760 573044700 /nfs/dbraw/zinc/04/47/00/573044700.db2.gz YDSGEYSDRVLIIE-IUCAKERBSA-N 0 0 188.242 2.468 10 0 AEAERN C[C@H](O)c1nc(-c2ccc[nH]2)cs1 259318624 573043477 /nfs/dbraw/zinc/04/34/77/573043477.db2.gz RPPGIJPDRLNGPU-LURJTMIESA-N 0 0 194.259 2.192 10 0 AEAERN OC1(CC[C@@H]2CCCSC2)CC1 257934225 573043526 /nfs/dbraw/zinc/04/35/26/573043526.db2.gz HKPWLXYLCQXQPK-VIFPVBQESA-N 0 0 186.320 2.435 10 0 AEAERN Nc1ncc(-c2ccccc2)cc1O 113939084 573043553 /nfs/dbraw/zinc/04/35/53/573043553.db2.gz AGMHZPKKMSYUOR-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN CCC[C@H](O)CCCCF 88026692 573043588 /nfs/dbraw/zinc/04/35/88/573043588.db2.gz YWDBDATZVWVTNS-QMMMGPOBSA-N 0 0 148.221 2.287 10 0 AEAERN CCN(C(=O)/C=C\C(C)C)C1CC1 308247519 573043626 /nfs/dbraw/zinc/04/36/26/573043626.db2.gz XRXRZALSUWACAI-YVMONPNESA-N 0 0 181.279 2.210 10 0 AEAERN Nc1cnccc1OCC1CCCC1 85486946 573043709 /nfs/dbraw/zinc/04/37/09/573043709.db2.gz FVLYSKDUOAZFNR-UHFFFAOYSA-N 0 0 192.262 2.233 10 0 AEAERN COc1csc(-c2ccc[nH]2)n1 259319627 573043719 /nfs/dbraw/zinc/04/37/19/573043719.db2.gz OGVSSMOAUYNUCS-UHFFFAOYSA-N 0 0 180.232 2.147 10 0 AEAERN CNC(=O)[C@H]1[C@H](C)CCCC1(C)C 113890716 573044748 /nfs/dbraw/zinc/04/47/48/573044748.db2.gz DFMQJMMAMWARRU-RKDXNWHRSA-N 0 0 183.295 2.195 10 0 AEAERN COC[C@H](C)[C@@H](CO)c1ccccc1 128463984 573043885 /nfs/dbraw/zinc/04/38/85/573043885.db2.gz JXAUDCYIRDZSMA-CMPLNLGQSA-N 0 0 194.274 2.045 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158.216 2.495 10 0 AEAERN C[C@H](O)c1cc2[nH]ccc2cc1F 257933294 573044062 /nfs/dbraw/zinc/04/40/62/573044062.db2.gz BYZVQTXBKXWNEA-LURJTMIESA-N 0 0 179.194 2.360 10 0 AEAERN CCC[C@](C)(CO)[C@H](C)COC 128456224 573044067 /nfs/dbraw/zinc/04/40/67/573044067.db2.gz JXKIHMNDWOYJNU-NXEZZACHSA-N 0 0 174.284 2.068 10 0 AEAERN CC[C@@H](CCCF)C(C)=O 88025977 573044071 /nfs/dbraw/zinc/04/40/71/573044071.db2.gz ORVSXLFFWHQLOR-QMMMGPOBSA-N 0 0 146.205 2.351 10 0 AEAERN Cc1ccc2c(c1)C[C@H](C[C@H](C)O)N2 257927885 573044106 /nfs/dbraw/zinc/04/41/06/573044106.db2.gz COJFTXKZPNIKIE-ONGXEEELSA-N 0 0 191.274 2.103 10 0 AEAERN CC[C@@H]1C[C@@]1(O)c1sccc1OC 88032746 573044120 /nfs/dbraw/zinc/04/41/20/573044120.db2.gz NQRUSNBJOHYTAR-XCBNKYQSSA-N 0 0 198.287 2.374 10 0 AEAERN CSCC[C@@](C)(CO)C1CC1 131861576 573044198 /nfs/dbraw/zinc/04/41/98/573044198.db2.gz RMQYFHGBJMNKKC-VIFPVBQESA-N 0 0 174.309 2.148 10 0 AEAERN Cc1cccc(C(=O)c2cccnc2)n1 82451273 573044203 /nfs/dbraw/zinc/04/42/03/573044203.db2.gz 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114155630 573061245 /nfs/dbraw/zinc/06/12/45/573061245.db2.gz PLOCAOROOZYEOA-CYNONHLPSA-N 0 0 140.226 2.280 10 0 AEAERN C[NH2+][C@@H](CSC(C)C)c1ccc[nH]1 308242226 573061272 /nfs/dbraw/zinc/06/12/72/573061272.db2.gz ZCLOFSHVFZCWQK-JTQLQIEISA-N 0 0 198.335 2.417 10 0 AEAERN Cc1cc([S@](=O)C(C)C)ccc1N 88065101 573061724 /nfs/dbraw/zinc/06/17/24/573061724.db2.gz FCLXIUWGCMRGFH-ZDUSSCGKSA-N 0 0 197.303 2.093 10 0 AEAERN Cc1ccc(N)c([S@](=O)C(C)C)c1 88065474 573061763 /nfs/dbraw/zinc/06/17/63/573061763.db2.gz LQGGENXFRHYKDE-ZDUSSCGKSA-N 0 0 197.303 2.093 10 0 AEAERN CC(C)OC[C@@H](CO)C1CCCC1 308241840 573061805 /nfs/dbraw/zinc/06/18/05/573061805.db2.gz YXOKPPWLSFGZFZ-LLVKDONJSA-N 0 0 186.295 2.210 10 0 AEAERN CC[C@H](C)[S@@](=O)c1cccc(N)c1 88063438 573061839 /nfs/dbraw/zinc/06/18/39/573061839.db2.gz NNMLEEBQOOSARI-SDBXPKJASA-N 0 0 197.303 2.175 10 0 AEAERN OC[C@@H](F)C1CCCCCC1 258474864 573061897 /nfs/dbraw/zinc/06/18/97/573061897.db2.gz ITLUFCAJSYMYMM-SECBINFHSA-N 0 0 160.232 2.287 10 0 AEAERN 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0 AEAERN CC1=NCCc2cc(F)c(F)cc21 114255673 573069933 /nfs/dbraw/zinc/06/99/33/573069933.db2.gz OJKDKCLTVFDBDO-UHFFFAOYSA-N 0 0 181.185 2.330 10 0 AEAERN CCc1cc2sccc2[nH]c1=NN 85535449 573069936 /nfs/dbraw/zinc/06/99/36/573069936.db2.gz GIQSOOIJLMZGGN-UHFFFAOYSA-N 0 0 193.275 2.144 10 0 AEAERN CCc1[nH]c2ccsc2c(=O)c1C 85535260 573069944 /nfs/dbraw/zinc/06/99/44/573069944.db2.gz CBOZTLBYNSMZMC-UHFFFAOYSA-N 0 0 193.271 2.460 10 0 AEAERN Cn1cncc1CNc1ccsc1 85528282 573070022 /nfs/dbraw/zinc/07/00/22/573070022.db2.gz KFCPZYSBFRSVLY-UHFFFAOYSA-N 0 0 193.275 2.094 10 0 AEAERN c1cc(NC[C@H]2CCOC2)cs1 85528528 573070072 /nfs/dbraw/zinc/07/00/72/573070072.db2.gz MHLSGCIQYRPOGY-MRVPVSSYSA-N 0 0 183.276 2.197 10 0 AEAERN CCCC(=O)NC[C@H](C)C(F)(F)F 308245471 573070076 /nfs/dbraw/zinc/07/00/76/573070076.db2.gz VGVLCWXZOSUJTG-LURJTMIESA-N 0 0 197.200 2.101 10 0 AEAERN CC[C@@]1(C)CC[C@H](O)/C(=C\OC)C1 238268799 573070077 /nfs/dbraw/zinc/07/00/77/573070077.db2.gz FATCCQULIUNDLF-QGNYPYLESA-N 0 0 184.279 2.478 10 0 AEAERN CCC/C=C/C(=O)NO[C@@H](C)CC 308247059 573070101 /nfs/dbraw/zinc/07/01/01/573070101.db2.gz WYGHGBLRESMWSP-FLOXNTQESA-N 0 0 185.267 2.189 10 0 AEAERN CC[C@@]1(C)CC[C@@H](O)/C(=C\OC)C1 238268561 573070108 /nfs/dbraw/zinc/07/01/08/573070108.db2.gz FATCCQULIUNDLF-XJMUJKMXSA-N 0 0 184.279 2.478 10 0 AEAERN C[C@H](O)[C@@H](C)COCc1ccccc1 141869431 573070147 /nfs/dbraw/zinc/07/01/47/573070147.db2.gz KSDJJGJDQGESDG-QWRGUYRKSA-N 0 0 194.274 2.220 10 0 AEAERN CC[C@@H]1CN=C(Cl)S1 238268563 573070202 /nfs/dbraw/zinc/07/02/02/573070202.db2.gz IWCVUMISUPVZCL-SCSAIBSYSA-N 0 0 149.646 2.107 10 0 AEAERN CCC/C=C\C(=O)NO[C@H](C)CC 308247061 573070569 /nfs/dbraw/zinc/07/05/69/573070569.db2.gz WYGHGBLRESMWSP-UFGYOYAJSA-N 0 0 185.267 2.189 10 0 AEAERN CCc1nc([C@@H](CO)C(C)C)[nH]c1C 258475126 573070310 /nfs/dbraw/zinc/07/03/10/573070310.db2.gz AWJYXVCHAJANJK-VIFPVBQESA-N 0 0 196.294 2.012 10 0 AEAERN CCCCCOCc1nc(C)no1 308245461 573070337 /nfs/dbraw/zinc/07/03/37/573070337.db2.gz VGGTUQZFPCZYIN-UHFFFAOYSA-N 0 0 184.239 2.085 10 0 AEAERN O[C@H]1CCCC[C@H]1Nc1ccsc1 85534789 573070347 /nfs/dbraw/zinc/07/03/47/573070347.db2.gz BJMIRHNGPBCPAC-ZJUUUORDSA-N 0 0 197.303 2.464 10 0 AEAERN O=c1c2c([nH]c3ccsc13)CCC2 85535265 573070359 /nfs/dbraw/zinc/07/03/59/573070359.db2.gz IHRYIPMBUSEEAN-UHFFFAOYSA-N 0 0 191.255 2.078 10 0 AEAERN COc1ccc2c(c1)CC[C@H](C)[C@@H]2O 114267349 573070428 /nfs/dbraw/zinc/07/04/28/573070428.db2.gz VAIXABQCOPDRPS-UFBFGSQYSA-N 0 0 192.258 2.311 10 0 AEAERN CCN(C[C@H](F)C(F)(F)F)C1CC1 308246976 573070446 /nfs/dbraw/zinc/07/04/46/573070446.db2.gz WVXIGYVJCZPGPW-ZETCQYMHSA-N 0 0 199.191 2.371 10 0 AEAERN Cc1[nH]c2ccsc2c(=O)c1C 85535255 573070481 /nfs/dbraw/zinc/07/04/81/573070481.db2.gz MINVXECFYDVVIJ-UHFFFAOYSA-N 0 0 179.244 2.206 10 0 AEAERN CCc1cc(CC)cc(CO)c1 114208822 573070583 /nfs/dbraw/zinc/07/05/83/573070583.db2.gz UPAGPHGQGBPOJQ-UHFFFAOYSA-N 0 0 164.248 2.304 10 0 AEAERN CCc1ccc(CO)c(CC)c1 114203415 573070850 /nfs/dbraw/zinc/07/08/50/573070850.db2.gz DVMOGHSUSIIMEP-UHFFFAOYSA-N 0 0 164.248 2.304 10 0 AEAERN Nc1cccnc1Nc1ccsc1 85528455 573070866 /nfs/dbraw/zinc/07/08/66/573070866.db2.gz FSZRPNXBHSVCRH-UHFFFAOYSA-N 0 0 191.259 2.469 10 0 AEAERN COc1ccc2c(c1)CC[C@@H](C)[C@H]2O 114267356 573070910 /nfs/dbraw/zinc/07/09/10/573070910.db2.gz VAIXABQCOPDRPS-PRHODGIISA-N 0 0 192.258 2.311 10 0 AEAERN c1cc(NCc2csnn2)cs1 85528992 573070936 /nfs/dbraw/zinc/07/09/36/573070936.db2.gz SNKAGXDIWRNXMV-UHFFFAOYSA-N 0 0 197.288 2.212 10 0 AEAERN CCNc1nc2cccccc-2n1 238268349 573070973 /nfs/dbraw/zinc/07/09/73/573070973.db2.gz YTWYYBIXYQTGAR-UHFFFAOYSA-N 0 0 173.219 2.013 10 0 AEAERN FCCOc1ccc2c(c1)CCN2 257939685 573071040 /nfs/dbraw/zinc/07/10/40/573071040.db2.gz HVCHTHWTXCKPFV-UHFFFAOYSA-N 0 0 181.210 2.003 10 0 AEAERN CCOC(=O)[C@](C)(F)c1ccco1 257939715 573071047 /nfs/dbraw/zinc/07/10/47/573071047.db2.gz UWMQNVCXWKTZAN-SECBINFHSA-N 0 0 186.182 2.027 10 0 AEAERN CCCC(=O)[C@H](OCC)C(C)C 128549210 573071090 /nfs/dbraw/zinc/07/10/90/573071090.db2.gz JXBVHCPBDRMNJQ-SNVBAGLBSA-N 0 0 172.268 2.417 10 0 AEAERN C=Cc1nc(F)ccc1C 209757760 573071094 /nfs/dbraw/zinc/07/10/94/573071094.db2.gz RDYIBSAZWLBHBW-UHFFFAOYSA-N 0 0 137.157 2.172 10 0 AEAERN C=Cc1cc(F)cc(C)n1 209753629 573071139 /nfs/dbraw/zinc/07/11/39/573071139.db2.gz SUCAGPFBHZAZFP-UHFFFAOYSA-N 0 0 137.157 2.172 10 0 AEAERN C=Cc1nc(C)cc(C)c1F 209751690 573071187 /nfs/dbraw/zinc/07/11/87/573071187.db2.gz KJBMFEFFMCAJHF-UHFFFAOYSA-N 0 0 151.184 2.481 10 0 AEAERN Cc1nn(C2CCC2)c(N)c1Cl 88117517 573071899 /nfs/dbraw/zinc/07/18/99/573071899.db2.gz MUNZARHUNOCXEO-UHFFFAOYSA-N 0 0 185.658 2.152 10 0 AEAERN CC[NH2+]Cc1nccc2ccsc12 238267790 573071200 /nfs/dbraw/zinc/07/12/00/573071200.db2.gz KVYYIVOSBIMNDJ-UHFFFAOYSA-N 0 0 192.287 2.406 10 0 AEAERN CCOc1cc(N)cc(C)c1C 238268442 573071311 /nfs/dbraw/zinc/07/13/11/573071311.db2.gz UPDIQFUBPLHAHO-UHFFFAOYSA-N 0 0 165.236 2.284 10 0 AEAERN O[C@H]1CCC[C@@H]1Nc1ccsc1 85534613 573071364 /nfs/dbraw/zinc/07/13/64/573071364.db2.gz AIKQDJDVFBQFIJ-IUCAKERBSA-N 0 0 183.276 2.073 10 0 AEAERN CCOCc1ccc(C)o1 114274561 573071373 /nfs/dbraw/zinc/07/13/73/573071373.db2.gz GXICAIPZEZBXCA-UHFFFAOYSA-N 0 0 140.182 2.125 10 0 AEAERN Cc1nn(C)cc1NC[C@]1(C)C[C@H]1C 714626650 573071411 /nfs/dbraw/zinc/07/14/11/573071411.db2.gz WZORLNNUWDPNRM-KCJUWKMLSA-N 0 0 193.294 2.187 10 0 AEAERN Cc1cnn(C)c1[C@@H](O)CCC(C)C 308488930 573071549 /nfs/dbraw/zinc/07/15/49/573071549.db2.gz PTDIOIAALIMDMH-JTQLQIEISA-N 0 0 196.294 2.198 10 0 AEAERN Cc1ccc(NC2COC2)c(Cl)c1 82487933 573071571 /nfs/dbraw/zinc/07/15/71/573071571.db2.gz BCZJWNCKYLEXJO-UHFFFAOYSA-N 0 0 197.665 2.459 10 0 AEAERN CCC[C@@H]1CCC[C@H]2CCNC(=O)[C@H]21 238268707 573071641 /nfs/dbraw/zinc/07/16/41/573071641.db2.gz AFVLQKBISNHWFV-VWYCJHECSA-N 0 0 195.306 2.339 10 0 AEAERN CC[C@H](F)CN1CCC[C@H]1C(F)F 308247214 573071781 /nfs/dbraw/zinc/07/17/81/573071781.db2.gz XFYXLWVOZTVBGW-YUMQZZPRSA-N 0 0 195.228 2.464 10 0 AEAERN Cc1cc2c(s1)C[C@H](C)[C@H]2O 141891376 573071861 /nfs/dbraw/zinc/07/18/61/573071861.db2.gz DHAUHARXMREFSZ-SSDLBLMSSA-N 0 0 168.261 2.282 10 0 AEAERN CC[C@@H](F)CN1CCC[C@H]1C(F)F 308247213 573071864 /nfs/dbraw/zinc/07/18/64/573071864.db2.gz XFYXLWVOZTVBGW-SFYZADRCSA-N 0 0 195.228 2.464 10 0 AEAERN CC[C@@]1(C)CC[C@@H](CC(C)=O)O1 238268526 573071870 /nfs/dbraw/zinc/07/18/70/573071870.db2.gz JLIYKGBKJXEHHQ-UWVGGRQHSA-N 0 0 170.252 2.313 10 0 AEAERN CC[C@@H]1CNC(=O)OC12CCCCC2 238268841 573072400 /nfs/dbraw/zinc/07/24/00/573072400.db2.gz RIQAXTIEHUVTTJ-SECBINFHSA-N 0 0 197.278 2.455 10 0 AEAERN CCC[C@@H]1CCC[C@@](C)(C(N)=O)C1 238268033 573072405 /nfs/dbraw/zinc/07/24/05/573072405.db2.gz OIODPTVRPSGDQG-MWLCHTKSSA-N 0 0 183.295 2.468 10 0 AEAERN CCc1cc2c(N)nc(C)nc2s1 82485594 573072444 /nfs/dbraw/zinc/07/24/44/573072444.db2.gz VMPPTZNCNXDPEZ-UHFFFAOYSA-N 0 0 193.275 2.144 10 0 AEAERN CCC(=O)OCc1cccnc1Cl 308253761 573072464 /nfs/dbraw/zinc/07/24/64/573072464.db2.gz CSZJTIKOGRNDPS-UHFFFAOYSA-N 0 0 199.637 2.188 10 0 AEAERN CC1CC(C(=O)OCC[C@@H](C)F)C1 308253538 573072564 /nfs/dbraw/zinc/07/25/64/573072564.db2.gz JBYQYYUFSNAUDI-QJAFJHJLSA-N 0 0 188.242 2.324 10 0 AEAERN CC[NH2+]Cc1nccc2sccc12 238267841 573072567 /nfs/dbraw/zinc/07/25/67/573072567.db2.gz GWKCBSGWLDRZCO-UHFFFAOYSA-N 0 0 192.287 2.406 10 0 AEAERN CC[C@@]1(C)CC[C@H](CC(C)=O)O1 238268775 573072653 /nfs/dbraw/zinc/07/26/53/573072653.db2.gz JLIYKGBKJXEHHQ-ZJUUUORDSA-N 0 0 170.252 2.313 10 0 AEAERN CC[C@H]1C[C@@H]1NC(=O)CC(C)(C)C 308490005 573072754 /nfs/dbraw/zinc/07/27/54/573072754.db2.gz QRWZPWDXSFIDEN-IUCAKERBSA-N 0 0 183.295 2.337 10 0 AEAERN C[C@H](O)CC[C@@H]1Cc2ccccc2O1 85537708 573072769 /nfs/dbraw/zinc/07/27/69/573072769.db2.gz MDIBKKLLQXXRET-GXSJLCMTSA-N 0 0 192.258 2.151 10 0 AEAERN C/C=C/C=C\COC(=O)C(C)(C)F 308253660 573072842 /nfs/dbraw/zinc/07/28/42/573072842.db2.gz CPLMUNDRAPIPRO-DEQVHDEQSA-N 0 0 186.226 2.410 10 0 AEAERN Cc1nn(C)cc1NC[C@]1(C)C[C@@H]1C 714626657 573072860 /nfs/dbraw/zinc/07/28/60/573072860.db2.gz WZORLNNUWDPNRM-KWQFWETISA-N 0 0 193.294 2.187 10 0 AEAERN CC1CC(C(=O)OCC[C@H](C)F)C1 308253537 573072872 /nfs/dbraw/zinc/07/28/72/573072872.db2.gz JBYQYYUFSNAUDI-MGURRDGZSA-N 0 0 188.242 2.324 10 0 AEAERN CC[C@@H](O)C1=CCSC1(C)C 238268060 573072880 /nfs/dbraw/zinc/07/28/80/573072880.db2.gz PDXQZJYJQDGGCC-MRVPVSSYSA-N 0 0 172.293 2.209 10 0 AEAERN COc1c(C)[nH]c2ccccc12 114355891 573072929 /nfs/dbraw/zinc/07/29/29/573072929.db2.gz DKPSZDQDZFUDAP-UHFFFAOYSA-N 0 0 161.204 2.485 10 0 AEAERN CC[C@@H]1CNC(=O)O[C@@H]1c1ccco1 238268937 573073017 /nfs/dbraw/zinc/07/30/17/573073017.db2.gz MRJBUGMTVARKLB-APPZFPTMSA-N 0 0 195.218 2.087 10 0 AEAERN OC1(c2cccc(Cl)c2F)CC1 88122081 573073136 /nfs/dbraw/zinc/07/31/36/573073136.db2.gz VHCLIHNCINKMMZ-UHFFFAOYSA-N 0 0 186.613 2.461 10 0 AEAERN COC[C@]1(O)CCC(C)(C)C[C@@H]1C 88132445 573073065 /nfs/dbraw/zinc/07/30/65/573073065.db2.gz LQSSRBNUIBEERX-GXSJLCMTSA-N 0 0 186.295 2.210 10 0 AEAERN CC[C@H]1C[C@H]1NC(=O)CC(C)(C)C 308490003 573073077 /nfs/dbraw/zinc/07/30/77/573073077.db2.gz QRWZPWDXSFIDEN-DTWKUNHWSA-N 0 0 183.295 2.337 10 0 AEAERN Oc1cccc2c1SC1(CC1)CN2 259322757 573073100 /nfs/dbraw/zinc/07/31/00/573073100.db2.gz SBDPSPYRNGZYJZ-UHFFFAOYSA-N 0 0 193.271 2.442 10 0 AEAERN CC[C@@H]1CN=C(Br)S1 238268524 573073104 /nfs/dbraw/zinc/07/31/04/573073104.db2.gz FPQXKBWVQGXHMM-SCSAIBSYSA-N 0 0 194.097 2.263 10 0 AEAERN CCOC(=O)[C@@](C)(F)c1ccco1 257939716 573073204 /nfs/dbraw/zinc/07/32/04/573073204.db2.gz UWMQNVCXWKTZAN-VIFPVBQESA-N 0 0 186.182 2.027 10 0 AEAERN c1ccc(-c2n[nH]c(CC3CC3)n2)cc1 49731374 573073256 /nfs/dbraw/zinc/07/32/56/573073256.db2.gz ADWWXIIQIOJCTH-UHFFFAOYSA-N 0 0 199.257 2.424 10 0 AEAERN Cc1nn(C)cc1NC[C@@]1(C)C[C@H]1C 714626663 573073276 /nfs/dbraw/zinc/07/32/76/573073276.db2.gz WZORLNNUWDPNRM-LDYMZIIASA-N 0 0 193.294 2.187 10 0 AEAERN CC[C@@]1(C)CCC(=O)C(C)(C)O1 238267856 573073282 /nfs/dbraw/zinc/07/32/82/573073282.db2.gz TXSPOTDLWJIJPD-JTQLQIEISA-N 0 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88134703 573078293 /nfs/dbraw/zinc/07/82/93/573078293.db2.gz QDHGLLBCZVGKMQ-UHFFFAOYSA-N 0 0 198.216 2.147 10 0 AEAERN CC1(c2cccc(C=O)c2O)CC1 114463719 573078383 /nfs/dbraw/zinc/07/83/83/573078383.db2.gz YPZVCYLUFPNTKJ-UHFFFAOYSA-N 0 0 176.215 2.256 10 0 AEAERN C[C@@H]1CCCN1c1c(N)cccc1F 88134741 573078040 /nfs/dbraw/zinc/07/80/40/573078040.db2.gz NXJOREREJIXLDV-MRVPVSSYSA-N 0 0 194.253 2.397 10 0 AEAERN C[C@H]1CC[C@@H](C(=O)c2cccs2)O1 88140665 573078057 /nfs/dbraw/zinc/07/80/57/573078057.db2.gz VBDWHXHEOPRFIU-YUMQZZPRSA-N 0 0 196.271 2.498 10 0 AEAERN CCCCCNC(C)=S 104617180 573078080 /nfs/dbraw/zinc/07/80/80/573078080.db2.gz GSPCJHBYNIADIS-UHFFFAOYSA-N 0 0 145.271 2.114 10 0 AEAERN CCC1CN(c2c(N)cccc2F)C1 88134769 573078081 /nfs/dbraw/zinc/07/80/81/573078081.db2.gz JXXPRUHMZRWFPL-UHFFFAOYSA-N 0 0 194.253 2.254 10 0 AEAERN C[C@H](C(=O)OC[C@@H]1C[C@H]1C)C1CC1 308251764 573078100 /nfs/dbraw/zinc/07/81/00/573078100.db2.gz HSPHXLXZWRJUGU-WEDXCCLWSA-N 0 0 182.263 2.232 10 0 AEAERN C[C@H]1CC(C)(C)CC[C@]12COC(=O)N2 88133542 573078132 /nfs/dbraw/zinc/07/81/32/573078132.db2.gz FDKNFHSKHYDGQX-KWQFWETISA-N 0 0 197.278 2.311 10 0 AEAERN CC/C(=C/c1ccc(C)cn1)[N+](=O)[O-] 88135157 573078138 /nfs/dbraw/zinc/07/81/38/573078138.db2.gz HTOWHADLCRNGQA-POHAHGRESA-N 0 0 192.218 2.418 10 0 AEAERN CCNC(=O)N[C@@H](CC)C(C)(C)C 308491973 573078141 /nfs/dbraw/zinc/07/81/41/573078141.db2.gz RROQLWAMJCDLBU-QMMMGPOBSA-N 0 0 186.299 2.130 10 0 AEAERN C[C@H]1CC[C@@H](C(=O)c2ccccc2)O1 88140645 573078163 /nfs/dbraw/zinc/07/81/63/573078163.db2.gz FQAJNDZHLHDKCH-ONGXEEELSA-N 0 0 190.242 2.437 10 0 AEAERN Cc1ccc([C@H]2NC[C@@H](C)S2)nc1 88136315 573078170 /nfs/dbraw/zinc/07/81/70/573078170.db2.gz XPXACLUTRGZYHI-SCZZXKLOSA-N 0 0 194.303 2.114 10 0 AEAERN CCC[C@H]1C(=O)CC12CC2 238269960 573078183 /nfs/dbraw/zinc/07/81/83/573078183.db2.gz GIXODDPXBWRNGJ-ZETCQYMHSA-N 0 0 138.210 2.156 10 0 AEAERN CCCCC(=O)NCC1(F)CCC1 308496461 573078190 /nfs/dbraw/zinc/07/81/90/573078190.db2.gz UFCYKNAEXODLDR-UHFFFAOYSA-N 0 0 187.258 2.185 10 0 AEAERN CCc1cnc2[nH]ccc2c1 104618174 573078192 /nfs/dbraw/zinc/07/81/92/573078192.db2.gz QJJVKDGZMAMJAS-UHFFFAOYSA-N 0 0 146.193 2.125 10 0 AEAERN CC(C)Nc1c(N)cccc1F 88134782 573078241 /nfs/dbraw/zinc/07/82/41/573078241.db2.gz QUFOMXFHLBWWLH-UHFFFAOYSA-N 0 0 168.215 2.228 10 0 AEAERN Cc1ccc([C@H](O)C(C)(C)C)nc1 88136249 573078261 /nfs/dbraw/zinc/07/82/61/573078261.db2.gz NTPSEHHUBBXCJS-JTQLQIEISA-N 0 0 179.263 2.470 10 0 AEAERN Cc1cc(C)c2oc([C@@H](C)N)nc2c1 82510317 573078265 /nfs/dbraw/zinc/07/82/65/573078265.db2.gz OBBSPZIHPJULFQ-MRVPVSSYSA-N 0 0 190.246 2.464 10 0 AEAERN C[C@@H]1CC[C@@H](C(=O)c2cccs2)O1 88140664 573078277 /nfs/dbraw/zinc/07/82/77/573078277.db2.gz VBDWHXHEOPRFIU-SFYZADRCSA-N 0 0 196.271 2.498 10 0 AEAERN CCC[C@@H]1CC[C@@H](C)[C@@H]1O 238269634 573078310 /nfs/dbraw/zinc/07/83/10/573078310.db2.gz PZOHHIWBLFLMJB-HLTSFMKQSA-N 0 0 142.242 2.194 10 0 AEAERN CC(C)C[C@@H](C)[C@@H](NN)c1ccoc1 308491196 573078315 /nfs/dbraw/zinc/07/83/15/573078315.db2.gz QUHGXPBDUNGWFX-MWLCHTKSSA-N 0 0 196.294 2.466 10 0 AEAERN CCCc1c(C)nc(NC)nc1Cl 238269346 573078332 /nfs/dbraw/zinc/07/83/32/573078332.db2.gz RCJFPSLDVHGIQN-UHFFFAOYSA-N 0 0 199.685 2.433 10 0 AEAERN CC(C)[C@@H](C)CC(=O)NCC1CC1 308254511 573078354 /nfs/dbraw/zinc/07/83/54/573078354.db2.gz JRENIOFVQROHGB-VIFPVBQESA-N 0 0 183.295 2.195 10 0 AEAERN CC(=O)CN(C)c1c(C)cccc1C 259324089 573078417 /nfs/dbraw/zinc/07/84/17/573078417.db2.gz RAGVBLNXTSVTNL-UHFFFAOYSA-N 0 0 191.274 2.329 10 0 AEAERN C[C@@H]1CC(C)(C)CC[C@@]12CNC(=O)C2 88133954 573078424 /nfs/dbraw/zinc/07/84/24/573078424.db2.gz OPQVSPHAAMRNOR-BXKDBHETSA-N 0 0 195.306 2.339 10 0 AEAERN C[C@@H]1CC(C)(C)CC[C@@H]1CO 88133744 573078431 /nfs/dbraw/zinc/07/84/31/573078431.db2.gz FMEGVFHAYCIFCL-RKDXNWHRSA-N 0 0 156.269 2.441 10 0 AEAERN CC[C@H]1NC(=O)OC1(CC)CC 238269229 573078456 /nfs/dbraw/zinc/07/84/56/573078456.db2.gz JPHVJMXRUMREPI-SSDOTTSWSA-N 0 0 171.240 2.064 10 0 AEAERN C/C=C\C(=O)NC1CC(C(C)C)C1 308250694 573078464 /nfs/dbraw/zinc/07/84/64/573078464.db2.gz AYKPLQNLGOLNJD-PLNGDYQASA-N 0 0 181.279 2.113 10 0 AEAERN CC(=O)[C@H]1C[C@@H]1c1ccc(C)cn1 88134944 573078469 /nfs/dbraw/zinc/07/84/69/573078469.db2.gz MRWLOOHMFMIWHI-ZJUUUORDSA-N 0 0 175.231 2.083 10 0 AEAERN Cc1ccc(/C=C(\CO)C(C)C)nc1 88135642 573078499 /nfs/dbraw/zinc/07/84/99/573078499.db2.gz FJIBMCGWIAYQOD-IZZDOVSWSA-N 0 0 191.274 2.422 10 0 AEAERN CC[C@@H](C)[C@H](O)c1ccc(C)cn1 88135846 573078537 /nfs/dbraw/zinc/07/85/37/573078537.db2.gz TURHJCPCSOUUKE-KOLCDFICSA-N 0 0 179.263 2.470 10 0 AEAERN C[C@H]1CCCc2cc[nH]c21 104617151 573078538 /nfs/dbraw/zinc/07/85/38/573078538.db2.gz JESBBNLNMIRBIT-ZETCQYMHSA-N 0 0 135.210 2.455 10 0 AEAERN CC[C@@H]1C(=O)C[C@@H]2CCC[C@@H]21 238270007 573078567 /nfs/dbraw/zinc/07/85/67/573078567.db2.gz PNQBBYXDBXOKCM-CIUDSAMLSA-N 0 0 152.237 2.402 10 0 AEAERN Cc1ccc(F)c(Cc2ncc[nH]2)c1 114431078 573078574 /nfs/dbraw/zinc/07/85/74/573078574.db2.gz DCRGCDVXWFSBKV-UHFFFAOYSA-N 0 0 190.221 2.448 10 0 AEAERN C[C@@H]1CC(C)(C)CC[C@]12CNC(=O)O2 88133558 573078630 /nfs/dbraw/zinc/07/86/30/573078630.db2.gz PYFITNVRHMEARL-KCJUWKMLSA-N 0 0 197.278 2.311 10 0 AEAERN Cc1ccc([C@H](O)c2ccoc2)nc1 88136209 573078678 /nfs/dbraw/zinc/07/86/78/573078678.db2.gz DJNXDYHBAZSVTO-LLVKDONJSA-N 0 0 189.214 2.065 10 0 AEAERN CC[C@@H](O)C[C@H]1Cc2ccccc21 85575464 573078685 /nfs/dbraw/zinc/07/86/85/573078685.db2.gz GTQJZHOVJDDPML-GHMZBOCLSA-N 0 0 176.259 2.487 10 0 AEAERN C[C@@H]1C[C@H]1COC(=O)C=C1CCC1 308251379 573078749 /nfs/dbraw/zinc/07/87/49/573078749.db2.gz BFEZARINHOROCQ-SCZZXKLOSA-N 0 0 180.247 2.296 10 0 AEAERN C[C@@H]1CC[C@@H](C(=O)c2ccco2)O1 88140728 573078855 /nfs/dbraw/zinc/07/88/55/573078855.db2.gz FMLBBMGZSAQZNA-APPZFPTMSA-N 0 0 180.203 2.030 10 0 AEAERN CC(=O)[C@H]1C[C@H]1c1ccc(C)cn1 88134942 573078902 /nfs/dbraw/zinc/07/89/02/573078902.db2.gz MRWLOOHMFMIWHI-NXEZZACHSA-N 0 0 175.231 2.083 10 0 AEAERN C[C@H](C(=O)OC[C@H]1C[C@H]1C)C1CC1 308251761 573078931 /nfs/dbraw/zinc/07/89/31/573078931.db2.gz HSPHXLXZWRJUGU-KHQFGBGNSA-N 0 0 182.263 2.232 10 0 AEAERN Nc1cccc(F)c1N1CC2(CC2)C1 88134776 573078946 /nfs/dbraw/zinc/07/89/46/573078946.db2.gz GSPCKZBIASIUCE-UHFFFAOYSA-N 0 0 192.237 2.008 10 0 AEAERN CC[C@H](O)C[C@@H]1Cc2ccccc21 85575453 573078974 /nfs/dbraw/zinc/07/89/74/573078974.db2.gz GTQJZHOVJDDPML-QWRGUYRKSA-N 0 0 176.259 2.487 10 0 AEAERN Nc1cc(F)cc(F)c1-n1cccc1 88134804 573078993 /nfs/dbraw/zinc/07/89/93/573078993.db2.gz SCMKWTRKCLMNSZ-UHFFFAOYSA-N 0 0 194.184 2.338 10 0 AEAERN O[C@@H](C[C@@H]1Cc2ccccc21)C1CC1 85575489 573079057 /nfs/dbraw/zinc/07/90/57/573079057.db2.gz CBQBEKAJOCEZOA-AAEUAGOBSA-N 0 0 188.270 2.487 10 0 AEAERN Cc1ccc([C@@H](O)C(C)(C)C)nc1 88136251 573079103 /nfs/dbraw/zinc/07/91/03/573079103.db2.gz NTPSEHHUBBXCJS-SNVBAGLBSA-N 0 0 179.263 2.470 10 0 AEAERN C[C@H]1CCN1c1c(N)cc(F)cc1F 88134712 573079129 /nfs/dbraw/zinc/07/91/29/573079129.db2.gz OQFMRIAOSUPDAU-LURJTMIESA-N 0 0 198.216 2.146 10 0 AEAERN Cc1ccc([C@@H]2NC[C@H](C)S2)nc1 88136308 573079152 /nfs/dbraw/zinc/07/91/52/573079152.db2.gz XPXACLUTRGZYHI-WCBMZHEXSA-N 0 0 194.303 2.114 10 0 AEAERN O[C@H](C[C@@H]1Cc2ccccc21)C1CC1 85575496 573079162 /nfs/dbraw/zinc/07/91/62/573079162.db2.gz CBQBEKAJOCEZOA-WCQYABFASA-N 0 0 188.270 2.487 10 0 AEAERN Cc1cccc2c1C[C@H](C)N2 104619322 573079340 /nfs/dbraw/zinc/07/93/40/573079340.db2.gz PUNBWZSAPODVQQ-QMMMGPOBSA-N 0 0 147.221 2.352 10 0 AEAERN C[C@H]1CC[C@H](C(=O)c2cccs2)O1 88140663 573079182 /nfs/dbraw/zinc/07/91/82/573079182.db2.gz VBDWHXHEOPRFIU-JGVFFNPUSA-N 0 0 196.271 2.498 10 0 AEAERN Cc1ccc(C)n1C[C@@H]1CCC[C@@H]1O 123579290 573079194 /nfs/dbraw/zinc/07/91/94/573079194.db2.gz AQFSXQBCEZBOFR-RYUDHWBXSA-N 0 0 193.290 2.266 10 0 AEAERN C[C@H]1CC(C)(C)CC[C@@]12CNC(=O)C2 88133956 573079213 /nfs/dbraw/zinc/07/92/13/573079213.db2.gz OPQVSPHAAMRNOR-JOYOIKCWSA-N 0 0 195.306 2.339 10 0 AEAERN C[C@@H]1CC[C@H](C(=O)c2ccco2)O1 88140726 573079348 /nfs/dbraw/zinc/07/93/48/573079348.db2.gz FMLBBMGZSAQZNA-VXNVDRBHSA-N 0 0 180.203 2.030 10 0 AEAERN CC[C@H]1NC(=S)OC12CCCCC2 238269948 573079388 /nfs/dbraw/zinc/07/93/88/573079388.db2.gz XEQJDXDTZZVQLO-MRVPVSSYSA-N 0 0 199.319 2.373 10 0 AEAERN O[C@@H](C[C@H]1Cc2ccccc21)C1CC1 85575487 573079392 /nfs/dbraw/zinc/07/93/92/573079392.db2.gz CBQBEKAJOCEZOA-YPMHNXCESA-N 0 0 188.270 2.487 10 0 AEAERN C[C@H]1CC(C)(C)CC[C@@]12COC(=O)N2 88133538 573079410 /nfs/dbraw/zinc/07/94/10/573079410.db2.gz FDKNFHSKHYDGQX-GZMMTYOYSA-N 0 0 197.278 2.311 10 0 AEAERN CC(C)[C@H](C)CC(=O)NCC1CC1 308254509 573079422 /nfs/dbraw/zinc/07/94/22/573079422.db2.gz JRENIOFVQROHGB-SECBINFHSA-N 0 0 183.295 2.195 10 0 AEAERN Cc1ccc([C@@H](O)c2ccoc2)nc1 88136212 573079456 /nfs/dbraw/zinc/07/94/56/573079456.db2.gz DJNXDYHBAZSVTO-NSHDSACASA-N 0 0 189.214 2.065 10 0 AEAERN CC[C@@H](O)CCCCCF 238269899 573079497 /nfs/dbraw/zinc/07/94/97/573079497.db2.gz UBOIVUIQAVVUOI-MRVPVSSYSA-N 0 0 148.221 2.287 10 0 AEAERN CCN(CC)c1c(N)cccc1F 88134755 573079499 /nfs/dbraw/zinc/07/94/99/573079499.db2.gz CVSWVAQLIJGXOU-UHFFFAOYSA-N 0 0 182.242 2.254 10 0 AEAERN CCCCc1occc1C=O 238269351 573079504 /nfs/dbraw/zinc/07/95/04/573079504.db2.gz JSPUJJAHVWGQPW-UHFFFAOYSA-N 0 0 152.193 2.435 10 0 AEAERN CC[C@@H]1C(=O)C[C@H]2CCC[C@H]12 238269993 573079567 /nfs/dbraw/zinc/07/95/67/573079567.db2.gz PNQBBYXDBXOKCM-VGMNWLOBSA-N 0 0 152.237 2.402 10 0 AEAERN CC(=O)C[C@H]1Cc2ccccc21 85575170 573079532 /nfs/dbraw/zinc/07/95/32/573079532.db2.gz CVLRYZIRDFSFHA-JTQLQIEISA-N 0 0 160.216 2.305 10 0 AEAERN CSCc1nnc(/C=C/C2CC2)o1 308250813 573079568 /nfs/dbraw/zinc/07/95/68/573079568.db2.gz BLNWXVUUPBULPO-SNAWJCMRSA-N 0 0 196.275 2.356 10 0 AEAERN CC[C@H](C)/C=C\CCCO 78280789 573079632 /nfs/dbraw/zinc/07/96/32/573079632.db2.gz DMRUCQQYLQKPNB-PGBBXKAQSA-N 0 0 142.242 2.361 10 0 AEAERN Nc1ccc(-c2ccccn2)cc1F 82505839 573079643 /nfs/dbraw/zinc/07/96/43/573079643.db2.gz XXZFJYFPXYLRJX-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN C[C@H](O)C[C@@H]1Cc2ccccc21 85575466 573079646 /nfs/dbraw/zinc/07/96/46/573079646.db2.gz BNBAMYJDFMIBRQ-WCBMZHEXSA-N 0 0 162.232 2.097 10 0 AEAERN CC(C)CCn1ccc(C=O)c1 85580902 573079650 /nfs/dbraw/zinc/07/96/50/573079650.db2.gz QFFLQSUITBGGGV-UHFFFAOYSA-N 0 0 165.236 2.347 10 0 AEAERN Oc1cccc(NCc2cc[nH]c2)c1 85578914 573079678 /nfs/dbraw/zinc/07/96/78/573079678.db2.gz WNCGYOZGBLPHPQ-UHFFFAOYSA-N 0 0 188.230 2.332 10 0 AEAERN C[C@@H]1CC(C)(C)CC[C@]12CNC(=O)C2 88133950 573079705 /nfs/dbraw/zinc/07/97/05/573079705.db2.gz OPQVSPHAAMRNOR-SKDRFNHKSA-N 0 0 195.306 2.339 10 0 AEAERN O=C1C[C@@H]2C[C@]2(c2ccccc2)C1 114477519 573079711 /nfs/dbraw/zinc/07/97/11/573079711.db2.gz CTDGYYAYBHTNOX-ZYHUDNBSSA-N 0 0 172.227 2.307 10 0 AEAERN C/C=C\C(=O)NC[C@@H](CC)C(C)C 308491146 573079727 /nfs/dbraw/zinc/07/97/27/573079727.db2.gz RGYMMDWXTQCHSR-ONRRBMGISA-N 0 0 183.295 2.361 10 0 AEAERN Cc1ccc(-c2noc(Cl)n2)nc1 88135108 573079747 /nfs/dbraw/zinc/07/97/47/573079747.db2.gz PZFJABADCVMVSU-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN Cc1nc(Cl)nc2c(O)cccc12 222824559 573079771 /nfs/dbraw/zinc/07/97/71/573079771.db2.gz HQABTRSXANBKLR-UHFFFAOYSA-N 0 0 194.621 2.297 10 0 AEAERN Cc1ccc([C@@H](O)CC(C)C)nc1 88135958 573079799 /nfs/dbraw/zinc/07/97/99/573079799.db2.gz AUGHQGOPANEPQT-NSHDSACASA-N 0 0 179.263 2.470 10 0 AEAERN C[C@@H]1CC(C)(C)CC[C@@]12COC(=O)N2 88133536 573079866 /nfs/dbraw/zinc/07/98/66/573079866.db2.gz FDKNFHSKHYDGQX-LDYMZIIASA-N 0 0 197.278 2.311 10 0 AEAERN C[C@H]1CC(C)(C)CC[C@@]1([NH3+])CC(=O)[O-] 88133349 573079890 /nfs/dbraw/zinc/07/98/90/573079890.db2.gz HJFALSYQWQFEOH-GZMMTYOYSA-N 0 0 199.294 2.005 10 0 AEAERN C[C@@H](O)C[C@H]1Cc2ccccc21 85575475 573079900 /nfs/dbraw/zinc/07/99/00/573079900.db2.gz BNBAMYJDFMIBRQ-SCZZXKLOSA-N 0 0 162.232 2.097 10 0 AEAERN C[C@@H]1CC[C@@H](C(=O)c2ccccc2)O1 88140644 573079901 /nfs/dbraw/zinc/07/99/01/573079901.db2.gz FQAJNDZHLHDKCH-KOLCDFICSA-N 0 0 190.242 2.437 10 0 AEAERN CC[C@@H](C)[C@@H](O)c1ccc(C)cn1 88135850 573079910 /nfs/dbraw/zinc/07/99/10/573079910.db2.gz 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196.275 2.095 10 0 AEAERN CC[C@H](C)[C@H](O)c1ccc(C)cn1 88135848 573081508 /nfs/dbraw/zinc/08/15/08/573081508.db2.gz TURHJCPCSOUUKE-ONGXEEELSA-N 0 0 179.263 2.470 10 0 AEAERN C/C=C/COC(=O)C1[C@H]2CCC[C@@H]12 308251976 573081563 /nfs/dbraw/zinc/08/15/63/573081563.db2.gz BQVDBPZEBSXEMP-WNNDMSAUSA-N 0 0 180.247 2.152 10 0 AEAERN Cc1ccc([C@@H]2NCCCS2)nc1 88136325 573081570 /nfs/dbraw/zinc/08/15/70/573081570.db2.gz QVPKMEDKFVIVAK-SNVBAGLBSA-N 0 0 194.303 2.115 10 0 AEAERN O=C1CC[C@@]2(c3ccccc3)C[C@@H]12 114474659 573081572 /nfs/dbraw/zinc/08/15/72/573081572.db2.gz VTKKZMALTGDRJO-JQWIXIFHSA-N 0 0 172.227 2.307 10 0 AEAERN C[C@H]1CC(C)(C)CC[C@]12CNC(=O)C2 88133952 573081603 /nfs/dbraw/zinc/08/16/03/573081603.db2.gz OPQVSPHAAMRNOR-CABZTGNLSA-N 0 0 195.306 2.339 10 0 AEAERN c1ccc(Nc2ncco2)cc1 114469167 573081647 /nfs/dbraw/zinc/08/16/47/573081647.db2.gz CHVAWSWMXBIOLB-UHFFFAOYSA-N 0 0 160.176 2.418 10 0 AEAERN CC(C)C(=O)Nc1c(N)cccc1F 88134323 573081650 /nfs/dbraw/zinc/08/16/50/573081650.db2.gz 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2.096 10 0 AEAERN CCCCC(=O)c1cc[nH]c1 82564215 573106378 /nfs/dbraw/zinc/10/63/78/573106378.db2.gz PHRRAJNHJRLVMX-UHFFFAOYSA-N 0 0 151.209 2.388 10 0 AEAERN CCCC[C@@H](O)c1ccc[nH]1 82564472 573106398 /nfs/dbraw/zinc/10/63/98/573106398.db2.gz IYMOVBDZPZTBBL-SECBINFHSA-N 0 0 153.225 2.238 10 0 AEAERN CC[C@@H](O)[C@@H]1C=CC=CCC1 238280243 573106450 /nfs/dbraw/zinc/10/64/50/573106450.db2.gz VEFRUGCEHFTYEM-NXEZZACHSA-N 0 0 152.237 2.280 10 0 AEAERN Cc1c(Cl)ncnc1N[C@@H]1C[C@@H]1C 82566940 573106455 /nfs/dbraw/zinc/10/64/55/573106455.db2.gz QRJKILOTXBPWNR-CAHLUQPWSA-N 0 0 197.669 2.259 10 0 AEAERN O[C@H]1CCCCCC[C@H]1F 114640474 573106457 /nfs/dbraw/zinc/10/64/57/573106457.db2.gz KCWGHJRCMBOPMK-SFYZADRCSA-N 0 0 146.205 2.040 10 0 AEAERN CC(C)Oc1ccco1 114666027 573106498 /nfs/dbraw/zinc/10/64/98/573106498.db2.gz FIVDPPXCYKYDPI-UHFFFAOYSA-N 0 0 126.155 2.067 10 0 AEAERN Cc1sc(C=O)nc1-c1ccc[nH]1 259328306 573106505 /nfs/dbraw/zinc/10/65/05/573106505.db2.gz SBZYOJDZGKPDNZ-UHFFFAOYSA-N 0 0 192.243 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/nfs/dbraw/zinc/12/65/31/573126531.db2.gz IXBBKKUTDIEZMU-SFGNSQDASA-N 0 0 170.252 2.169 10 0 AEAERN Cc1cc(C)n(-c2ncccc2F)n1 82615533 573126568 /nfs/dbraw/zinc/12/65/68/573126568.db2.gz UBXCQVRBXVVRLC-UHFFFAOYSA-N 0 0 191.209 2.023 10 0 AEAERN COCc1cc(C)c(OC)c(C)c1 259334569 573126585 /nfs/dbraw/zinc/12/65/85/573126585.db2.gz LHAAMLKNJOAZIP-UHFFFAOYSA-N 0 0 180.247 2.458 10 0 AEAERN COC1([C@H](O)CC2CCC2)CCCC1 128775934 573126611 /nfs/dbraw/zinc/12/66/11/573126611.db2.gz QSXNGKCZDWPDFF-LLVKDONJSA-N 0 0 198.306 2.497 10 0 AEAERN C/C=C\[C@](O)(CC)C(C)C 642848756 573126647 /nfs/dbraw/zinc/12/66/47/573126647.db2.gz UNBFMKIIONVLQL-WILPJHFFSA-N 0 0 142.242 2.360 10 0 AEAERN CCC[C@@H](C)Cn1ccnc1 82615244 573126695 /nfs/dbraw/zinc/12/66/95/573126695.db2.gz HDOVTDXVDYGMQU-SECBINFHSA-N 0 0 152.241 2.319 10 0 AEAERN Cc1cc(F)cc2nc(N)ccc12 85732653 573126749 /nfs/dbraw/zinc/12/67/49/573126749.db2.gz CNSLQBSXTRODHS-UHFFFAOYSA-N 0 0 176.194 2.265 10 0 AEAERN CCc1ccc(O)c(=S)[nH]1 238282594 573126758 /nfs/dbraw/zinc/12/67/58/573126758.db2.gz GFHRQGOPXLLEGU-UHFFFAOYSA-N 0 0 155.222 2.012 10 0 AEAERN CC(=O)N[C@@H](C)CCC1CCCC1 308272201 573126794 /nfs/dbraw/zinc/12/67/94/573126794.db2.gz SKWLZDJIGDNSGV-VIFPVBQESA-N 0 0 183.295 2.481 10 0 AEAERN C[C@H](F)CCOC(=O)C1=CCCC1 308272549 573126804 /nfs/dbraw/zinc/12/68/04/573126804.db2.gz SUZPAYKIKMAJFA-QMMMGPOBSA-N 0 0 186.226 2.388 10 0 AEAERN COC1([C@H](O)CC(C)C)CCCC1 128779350 573126964 /nfs/dbraw/zinc/12/69/64/573126964.db2.gz AJRNLOPFVNGHEM-SNVBAGLBSA-N 0 0 186.295 2.353 10 0 AEAERN COc1ccc(N)c(CC2CC2)c1 257949356 573126868 /nfs/dbraw/zinc/12/68/68/573126868.db2.gz WAHPECZEFCTOSC-UHFFFAOYSA-N 0 0 177.247 2.230 10 0 AEAERN Cc1cc([C@H](C)CO)cc(O)c1C 257950534 573126895 /nfs/dbraw/zinc/12/68/95/573126895.db2.gz FSQXIDYFOLKEQM-MRVPVSSYSA-N 0 0 180.247 2.105 10 0 AEAERN C[C@H](NCc1ccoc1)C(F)(F)F 308272563 573126923 /nfs/dbraw/zinc/12/69/23/573126923.db2.gz SVHWVVPKRXXDHR-LURJTMIESA-N 0 0 193.168 2.320 10 0 AEAERN CC[C@H](C)n1ccnc1C 82615299 573126934 /nfs/dbraw/zinc/12/69/34/573126934.db2.gz OKFLUOFUUVVSNJ-ZETCQYMHSA-N 0 0 138.214 2.163 10 0 AEAERN CCCc1ccc(O)c(C)c1O 238281970 573126945 /nfs/dbraw/zinc/12/69/45/573126945.db2.gz ZMGCNOQTQARRNC-UHFFFAOYSA-N 0 0 166.220 2.359 10 0 AEAERN ONCc1c(F)ccc(Cl)c1F 257949663 573126956 /nfs/dbraw/zinc/12/69/56/573126956.db2.gz AVDILXFOWXIWJQ-UHFFFAOYSA-N 0 0 193.580 2.097 10 0 AEAERN CCc1nccn1-c1ncccc1C 82615626 573128278 /nfs/dbraw/zinc/12/82/78/573128278.db2.gz AAJDRRNEUPWFLG-UHFFFAOYSA-N 0 0 187.246 2.138 10 0 AEAERN CC[C@@H]([NH3+])c1cccc(C)c1C(=O)[O-] 238282475 573127011 /nfs/dbraw/zinc/12/70/11/573127011.db2.gz OLBOOVOHVUQOEV-SECBINFHSA-N 0 0 193.246 2.103 10 0 AEAERN C[C@@H]1CCc2nc(C(C)(C)C)nn2C1 258534821 573127019 /nfs/dbraw/zinc/12/70/19/573127019.db2.gz SKIVVQVWAIPQKQ-MRVPVSSYSA-N 0 0 193.294 2.158 10 0 AEAERN Cc1cc(C)n(Cc2ccc(C)o2)n1 82615111 573127022 /nfs/dbraw/zinc/12/70/22/573127022.db2.gz WHKCQPHABQEELI-UHFFFAOYSA-N 0 0 190.246 2.450 10 0 AEAERN Cn1[nH]c(=O)cc1C1CCCCC1 257949315 573127098 /nfs/dbraw/zinc/12/70/98/573127098.db2.gz VZGWFJDEHYTKMK-UHFFFAOYSA-N 0 0 180.251 2.173 10 0 AEAERN CCc1csc(-n2ccnc2C)n1 82615610 573127105 /nfs/dbraw/zinc/12/71/05/573127105.db2.gz RPKAMILMCCVWQW-UHFFFAOYSA-N 0 0 193.275 2.200 10 0 AEAERN CCCCC(F)(F)[C@H](C)O 258533935 573127116 /nfs/dbraw/zinc/12/71/16/573127116.db2.gz NQCWJXFWNKBSQH-LURJTMIESA-N 0 0 152.184 2.193 10 0 AEAERN CCC[C@H]1C(=O)C[C@H]1C 238282744 573127155 /nfs/dbraw/zinc/12/71/55/573127155.db2.gz RQVYQWDCSCBOGW-RNFRBKRXSA-N 0 0 126.199 2.012 10 0 AEAERN COCCn1ccc2ccccc21 82615126 573127253 /nfs/dbraw/zinc/12/72/53/573127253.db2.gz KROWSCYHDYUTEQ-UHFFFAOYSA-N 0 0 175.231 2.288 10 0 AEAERN COC1([C@H](O)CCC2CC2)CCCC1 128776400 573127291 /nfs/dbraw/zinc/12/72/91/573127291.db2.gz RAIQYOFXEDDXOD-LLVKDONJSA-N 0 0 198.306 2.497 10 0 AEAERN CO[C@@H](C)c1cccc(C=O)c1 259337636 573127317 /nfs/dbraw/zinc/12/73/17/573127317.db2.gz GZPJRSIXXPJXKW-QMMMGPOBSA-N 0 0 164.204 2.207 10 0 AEAERN 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164.204 2.207 10 0 AEAERN OC(Cc1ccoc1)(C1CC1)C1CC1 308502310 573127626 /nfs/dbraw/zinc/12/76/26/573127626.db2.gz XCONBNXUAYLAHQ-UHFFFAOYSA-N 0 0 192.258 2.373 10 0 AEAERN OCCc1cc(F)c(Cl)c(F)c1 257949621 573127634 /nfs/dbraw/zinc/12/76/34/573127634.db2.gz ATXJJKQYYGTQRA-UHFFFAOYSA-N 0 0 192.592 2.153 10 0 AEAERN CN(C)C(C)(C)C(=O)c1ccsc1 85734831 573127640 /nfs/dbraw/zinc/12/76/40/573127640.db2.gz KISZASRRXRSXJG-UHFFFAOYSA-N 0 0 197.303 2.271 10 0 AEAERN C[C@H](OC(=O)C=C1CCC1)C(F)F 308272280 573127649 /nfs/dbraw/zinc/12/76/49/573127649.db2.gz SRBDRSHAVLMDLC-LURJTMIESA-N 0 0 190.189 2.294 10 0 AEAERN CC[C@@H]1C(=O)[C@H](C)C[C@@H]1C 238282096 573127677 /nfs/dbraw/zinc/12/76/77/573127677.db2.gz YCIFULYIHGFFKJ-RNJXMRFFSA-N 0 0 140.226 2.258 10 0 AEAERN Cc1cc(=O)c2c(C)cc(F)cc2[nH]1 85731823 573127689 /nfs/dbraw/zinc/12/76/89/573127689.db2.gz GGYOXHCDUWOWNJ-UHFFFAOYSA-N 0 0 191.205 2.284 10 0 AEAERN CC(C)c1noc(Cn2cccc2)n1 82615179 573127754 /nfs/dbraw/zinc/12/77/54/573127754.db2.gz 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/nfs/dbraw/zinc/12/79/29/573127929.db2.gz RQVYQWDCSCBOGW-NKWVEPMBSA-N 0 0 126.199 2.012 10 0 AEAERN C/C=C(\N)c1ccccc1 104652513 573127952 /nfs/dbraw/zinc/12/79/52/573127952.db2.gz DBHSOVPFSSWHEC-MBXJOHMKSA-N 0 0 133.194 2.006 10 0 AEAERN COCc1cc(OC)cc(C(C)=O)c1 257949600 573128084 /nfs/dbraw/zinc/12/80/84/573128084.db2.gz ATLCYHXZULGLMB-UHFFFAOYSA-N 0 0 194.230 2.044 10 0 AEAERN Cc1ncccc1-n1cccc1 85728418 573128133 /nfs/dbraw/zinc/12/81/33/573128133.db2.gz JFYCWHCYFDWGAE-UHFFFAOYSA-N 0 0 158.204 2.181 10 0 AEAERN CC[C@@H]1C(=O)C(C)(C)[C@@H]1C 238281623 573128150 /nfs/dbraw/zinc/12/81/50/573128150.db2.gz YFGKCGOSAVOMJE-RQJHMYQMSA-N 0 0 140.226 2.258 10 0 AEAERN CCc1nccn1-c1cccc(C)n1 82615628 573128202 /nfs/dbraw/zinc/12/82/02/573128202.db2.gz SRCTVYZFSSJKKN-UHFFFAOYSA-N 0 0 187.246 2.138 10 0 AEAERN CC[C@@]1([C@@H](C)O)OC(C)(C)C1(C)C 238281335 573128330 /nfs/dbraw/zinc/12/83/30/573128330.db2.gz HRPHGCJPOHFAMX-KCJUWKMLSA-N 0 0 186.295 2.351 10 0 AEAERN CCC[C@@H]1[C@@H](C)O[C@@]1(C)C(C)=O 238281688 573131240 /nfs/dbraw/zinc/13/12/40/573131240.db2.gz IXBBKKUTDIEZMU-QNSHHTMESA-N 0 0 170.252 2.169 10 0 AEAERN C[C@@H](OC(=O)C=C1CCC1)C(F)F 308272281 573128720 /nfs/dbraw/zinc/12/87/20/573128720.db2.gz SRBDRSHAVLMDLC-ZCFIWIBFSA-N 0 0 190.189 2.294 10 0 AEAERN CCc1nccn1[C@@H](C)CC 82615382 573128546 /nfs/dbraw/zinc/12/85/46/573128546.db2.gz KWHVSVLCQAGJPA-QMMMGPOBSA-N 0 0 152.241 2.417 10 0 AEAERN CC[C@@]12CC[C@@H](C[C@@H]1NC(C)=O)C2 238283170 573128712 /nfs/dbraw/zinc/12/87/12/573128712.db2.gz DADUJDJBGPGOBR-DCAQKATOSA-N 0 0 181.279 2.091 10 0 AEAERN CCc1ccc(C)c(C)c1N 104651625 573128765 /nfs/dbraw/zinc/12/87/65/573128765.db2.gz FUCUHFQBEBZAFY-UHFFFAOYSA-N 0 0 149.237 2.448 10 0 AEAERN CNc1nc(C)c(-c2ccccn2)o1 258534332 573128778 /nfs/dbraw/zinc/12/87/78/573128778.db2.gz HMTGOCIPOMGEQY-UHFFFAOYSA-N 0 0 189.218 2.087 10 0 AEAERN CC(C)NC(=O)/C=C\C(C)(C)C 212190635 573128827 /nfs/dbraw/zinc/12/88/27/573128827.db2.gz ZFOXRMIRJMFPBU-SREVYHEPSA-N 0 0 169.268 2.113 10 0 AEAERN 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Cc1cc(C)n(C[C@H]2CCCCO2)n1 82615074 573129490 /nfs/dbraw/zinc/12/94/90/573129490.db2.gz FGHKVZVJCFXTPI-LLVKDONJSA-N 0 0 194.278 2.069 10 0 AEAERN CCNC(=O)C1(Cl)CCCCC1 238282545 573129492 /nfs/dbraw/zinc/12/94/92/573129492.db2.gz ANWUDLVRFCIHSI-UHFFFAOYSA-N 0 0 189.686 2.064 10 0 AEAERN C[C@@H]1C[C@@H]1C(=O)OCCC1(C)CC1 308271877 573129493 /nfs/dbraw/zinc/12/94/93/573129493.db2.gz SKFCRVDRQIZVBE-BDAKNGLRSA-N 0 0 182.263 2.376 10 0 AEAERN Cc1nc(N)ccc1-c1ccoc1 85729246 573129614 /nfs/dbraw/zinc/12/96/14/573129614.db2.gz GBMVBTMOCSHNPA-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1nn(C)c(SC(C)C)c1C=O 82612769 573129617 /nfs/dbraw/zinc/12/96/17/573129617.db2.gz ZJBHDDFVBPGELD-UHFFFAOYSA-N 0 0 198.291 2.042 10 0 AEAERN OCC/C=C\C[C@H]1CCCS1 258236256 573129635 /nfs/dbraw/zinc/12/96/35/573129635.db2.gz PTACSZBSNUWQRI-IYABHPQVSA-N 0 0 172.293 2.211 10 0 AEAERN COc1cc(C2(O)CC2)cc(C)c1F 257949574 573129636 /nfs/dbraw/zinc/12/96/36/573129636.db2.gz ASURMLSFPKKZOZ-UHFFFAOYSA-N 0 0 196.221 2.124 10 0 AEAERN FC(F)n1ccnc1Cn1cccc1 82615156 573129641 /nfs/dbraw/zinc/12/96/41/573129641.db2.gz MPKIDNGJQGKQBL-UHFFFAOYSA-N 0 0 197.188 2.128 10 0 AEAERN Cc1cccc2c1N[C@@H](C)C(=O)S2 259336406 573129692 /nfs/dbraw/zinc/12/96/92/573129692.db2.gz SSZCFBLCDDMSRN-ZETCQYMHSA-N 0 0 193.271 2.428 10 0 AEAERN N/C=C/C=C/c1ccccc1 104655974 573129718 /nfs/dbraw/zinc/12/97/18/573129718.db2.gz HWWKKISOZCULFE-KBXRYBNXSA-N 0 0 145.205 2.172 10 0 AEAERN Cc1cc(F)cc2nc(N)sc12 85731507 573129767 /nfs/dbraw/zinc/12/97/67/573129767.db2.gz XXRNPVHAZZEEEK-UHFFFAOYSA-N 0 0 182.223 2.326 10 0 AEAERN COCC(C)(C)c1cccc(CO)c1 259336898 573129785 /nfs/dbraw/zinc/12/97/85/573129785.db2.gz FNMXBFMQPFYULW-UHFFFAOYSA-N 0 0 194.274 2.103 10 0 AEAERN FCOc1ccc2c(c1)NCCC2 257951000 573129917 /nfs/dbraw/zinc/12/99/17/573129917.db2.gz IPDWQSXWCJDNQZ-UHFFFAOYSA-N 0 0 181.210 2.351 10 0 AEAERN Cc1ccc(F)c(CC2(O)CC2)c1 257949063 573129930 /nfs/dbraw/zinc/12/99/30/573129930.db2.gz FMPVMZMKEXHXCU-UHFFFAOYSA-N 0 0 180.222 2.202 10 0 AEAERN CC[C@H](CO)Nc1cc(C)cc(F)c1 85732062 573129994 /nfs/dbraw/zinc/12/99/94/573129994.db2.gz QONAPOOHPWHZDB-SNVBAGLBSA-N 0 0 197.253 2.317 10 0 AEAERN CC[C@@H](C)n1ccnc1C 82615298 573130008 /nfs/dbraw/zinc/13/00/08/573130008.db2.gz OKFLUOFUUVVSNJ-SSDOTTSWSA-N 0 0 138.214 2.163 10 0 AEAERN CCOC(=O)N[C@@H]1CCC[C@@H]2CC[C@@H]21 238282930 573130013 /nfs/dbraw/zinc/13/00/13/573130013.db2.gz FJJDRUVVGHKYJQ-KXUCPTDWSA-N 0 0 197.278 2.311 10 0 AEAERN CC[C@@H]1C(=O)[C@@H](C)C[C@@H]1C 238282158 573130023 /nfs/dbraw/zinc/13/00/23/573130023.db2.gz YCIFULYIHGFFKJ-FXQIFTODSA-N 0 0 140.226 2.258 10 0 AEAERN C[C@H]1C[C@@H]1C(=O)OCCC1(C)CC1 308271880 573130058 /nfs/dbraw/zinc/13/00/58/573130058.db2.gz SKFCRVDRQIZVBE-IUCAKERBSA-N 0 0 182.263 2.376 10 0 AEAERN CCOC(=O)N[C@@H]1C[C@H]2CCCC[C@@H]21 238283151 573130087 /nfs/dbraw/zinc/13/00/87/573130087.db2.gz ONPKKWYAIBMIIX-KXUCPTDWSA-N 0 0 197.278 2.311 10 0 AEAERN COC1([C@@H](O)CCC2CC2)CCCC1 128776600 573130114 /nfs/dbraw/zinc/13/01/14/573130114.db2.gz RAIQYOFXEDDXOD-NSHDSACASA-N 0 0 198.306 2.497 10 0 AEAERN Cc1ccc(Cn2ccnc2C)o1 82615264 573130134 /nfs/dbraw/zinc/13/01/34/573130134.db2.gz YWVJLEKCZYGORP-UHFFFAOYSA-N 0 0 176.219 2.141 10 0 AEAERN Cc1noc2c([C@@H](C)CO)cccc12 257949650 573130167 /nfs/dbraw/zinc/13/01/67/573130167.db2.gz AUQUTHRJQFFHKX-ZETCQYMHSA-N 0 0 191.230 2.232 10 0 AEAERN C[C@H](Nc1nccs1)c1cc[nH]n1 85733177 573130276 /nfs/dbraw/zinc/13/02/76/573130276.db2.gz MQGONJNJDRBZMK-LURJTMIESA-N 0 0 194.263 2.039 10 0 AEAERN COC1([C@@H](O)CC2CCC2)CCCC1 128776139 573130371 /nfs/dbraw/zinc/13/03/71/573130371.db2.gz QSXNGKCZDWPDFF-NSHDSACASA-N 0 0 198.306 2.497 10 0 AEAERN Oc1cc(F)cc(C2=CCOCC2)c1 142092638 573130451 /nfs/dbraw/zinc/13/04/51/573130451.db2.gz DBQCJHUEDZGWKQ-UHFFFAOYSA-N 0 0 194.205 2.335 10 0 AEAERN CCC(CC)C[C@@]1(CO)CCOC1 128860059 573130456 /nfs/dbraw/zinc/13/04/56/573130456.db2.gz FBJJDDXCQDKUNF-LLVKDONJSA-N 0 0 186.295 2.212 10 0 AEAERN C[C@H]1C[C@H]1C(=O)OCCC1(C)CC1 308271879 573130532 /nfs/dbraw/zinc/13/05/32/573130532.db2.gz SKFCRVDRQIZVBE-DTWKUNHWSA-N 0 0 182.263 2.376 10 0 AEAERN CCc1ncc(C(=O)OC)cc1Cl 238282196 573130542 /nfs/dbraw/zinc/13/05/42/573130542.db2.gz VKLWTRIBURPAKV-UHFFFAOYSA-N 0 0 199.637 2.084 10 0 AEAERN Cc1cc(F)cc(NC#N)c1 85730961 573130544 /nfs/dbraw/zinc/13/05/44/573130544.db2.gz DIAISTOHACUSEF-UHFFFAOYSA-N 0 0 150.156 2.027 10 0 AEAERN C[C@@H]1CCc2nc(C3CCC3)nn2C1 258534838 573130547 /nfs/dbraw/zinc/13/05/47/573130547.db2.gz SKNVBSFIMRVYJP-MRVPVSSYSA-N 0 0 191.278 2.128 10 0 AEAERN CC(C)c1cc2c(o1)C[C@@H](O)CC2 74303534 573130598 /nfs/dbraw/zinc/13/05/98/573130598.db2.gz SVICSQBSGVYISK-VIFPVBQESA-N 0 0 180.247 2.253 10 0 AEAERN CC[C@H](C)c1coc(CO)c1 238282428 573130600 /nfs/dbraw/zinc/13/06/00/573130600.db2.gz QWZWZYXIPYQVNI-ZETCQYMHSA-N 0 0 154.209 2.285 10 0 AEAERN CO[C@@H]1C[C@H]1C(=O)C[C@H]1CC=CCC1 689921603 573130606 /nfs/dbraw/zinc/13/06/06/573130606.db2.gz DYMVPLSCNPNIFT-JBLDHEPKSA-N 0 0 194.274 2.337 10 0 AEAERN CC[C@@]1([C@H](C)O)OC(C)(C)C1(C)C 238281513 573130635 /nfs/dbraw/zinc/13/06/35/573130635.db2.gz HRPHGCJPOHFAMX-KWQFWETISA-N 0 0 186.295 2.351 10 0 AEAERN CC[C@@H]1C[C@H](O)OC1(CC)CC 238283126 573130641 /nfs/dbraw/zinc/13/06/41/573130641.db2.gz SLFIAXBULRWJHQ-RKDXNWHRSA-N 0 0 172.268 2.310 10 0 AEAERN CCOC(=O)N[C@@H]1CC[C@H]2CC[C@@H]2C1 238283100 573130662 /nfs/dbraw/zinc/13/06/62/573130662.db2.gz ZWJKDNQUAYKBTJ-OPRDCNLKSA-N 0 0 197.278 2.311 10 0 AEAERN CCOC(=O)N[C@@H]1C[C@@H]2CCCC[C@@H]21 238283134 573130830 /nfs/dbraw/zinc/13/08/30/573130830.db2.gz ONPKKWYAIBMIIX-LPEHRKFASA-N 0 0 197.278 2.311 10 0 AEAERN OCc1coc2cc(F)ccc12 114835728 573130918 /nfs/dbraw/zinc/13/09/18/573130918.db2.gz KCAKPUSRMYQOQV-UHFFFAOYSA-N 0 0 166.151 2.064 10 0 AEAERN CC[C@@H]1C[C@H](C)n2c(CO)ccc21 238282398 573130930 /nfs/dbraw/zinc/13/09/30/573130930.db2.gz ISOGNXHCNANRMR-DTWKUNHWSA-N 0 0 179.263 2.439 10 0 AEAERN CCOC(=O)N[C@@H]1CC[C@H]2CC[C@@H]1C2 238281766 573131186 /nfs/dbraw/zinc/13/11/86/573131186.db2.gz ZHEMEGCPQICRIT-OPRDCNLKSA-N 0 0 197.278 2.311 10 0 AEAERN CCC(CC)C[C@]1(CO)CCOC1 128859847 573130989 /nfs/dbraw/zinc/13/09/89/573130989.db2.gz FBJJDDXCQDKUNF-NSHDSACASA-N 0 0 186.295 2.212 10 0 AEAERN CC[C@H]1C[C@@H](CC)CC1=O 238282554 573131027 /nfs/dbraw/zinc/13/10/27/573131027.db2.gz CFUJHIHVQIVNQV-SFYZADRCSA-N 0 0 140.226 2.402 10 0 AEAERN C[C@@H]1CCCN(C(=O)[C@@H]2CC2(C)C)C1 225249478 573131031 /nfs/dbraw/zinc/13/10/31/573131031.db2.gz JOLLGIYWDRSECR-ZJUUUORDSA-N 0 0 195.306 2.291 10 0 AEAERN COC(=O)C1=CC(C)(C)CCC1 258532721 573131063 /nfs/dbraw/zinc/13/10/63/573131063.db2.gz NNQIFKXXVJWLHY-UHFFFAOYSA-N 0 0 168.236 2.296 10 0 AEAERN CCc1ccc(O)c([C@@H](C)CO)c1 257952232 573131622 /nfs/dbraw/zinc/13/16/22/573131622.db2.gz FXZFKQVLLCXPKH-QMMMGPOBSA-N 0 0 180.247 2.050 10 0 AEAERN CCc1c(C[C@H](C)O)cccc1OC 257951746 573131102 /nfs/dbraw/zinc/13/11/02/573131102.db2.gz BACBWKNSZYHKNU-VIFPVBQESA-N 0 0 194.274 2.181 10 0 AEAERN c1ccn(CCc2cscn2)c1 82626585 573131104 /nfs/dbraw/zinc/13/11/04/573131104.db2.gz NIIVOSGPWDJXMQ-UHFFFAOYSA-N 0 0 178.260 2.187 10 0 AEAERN COc1ccc(C)c(C)c1[C@H](C)CO 257951738 573131112 /nfs/dbraw/zinc/13/11/12/573131112.db2.gz AZRQSUSWBGKUTP-SECBINFHSA-N 0 0 194.274 2.408 10 0 AEAERN CCc1ncc(C)cc1C(C)=O 238282939 573131266 /nfs/dbraw/zinc/13/12/66/573131266.db2.gz KKRXDACWSFGHEU-UHFFFAOYSA-N 0 0 163.220 2.155 10 0 AEAERN Cc1ncccc1NCc1ccc[nH]1 85726750 573131306 /nfs/dbraw/zinc/13/13/06/573131306.db2.gz QQNCMTYSJUHPQD-UHFFFAOYSA-N 0 0 187.246 2.330 10 0 AEAERN CN(C)C(C)(C)C(=O)c1cccs1 85734902 573131357 /nfs/dbraw/zinc/13/13/57/573131357.db2.gz JGUWFIACXLFHRU-UHFFFAOYSA-N 0 0 197.303 2.271 10 0 AEAERN COc1ccc2c(c1)[C@@H](O)C[C@H]2C 82618459 573131362 /nfs/dbraw/zinc/13/13/62/573131362.db2.gz GDRLDDFPDKSZIY-HQJQHLMTSA-N 0 0 178.231 2.236 10 0 AEAERN OC1(CC[C@H]2CCCCO2)CCC1 257953363 573131406 /nfs/dbraw/zinc/13/14/06/573131406.db2.gz IUORHKGOGDGRJX-SNVBAGLBSA-N 0 0 184.279 2.251 10 0 AEAERN CC(C)c1cccc(CCON)c1 257952181 573131445 /nfs/dbraw/zinc/13/14/45/573131445.db2.gz FXATUDMJYWOXMO-UHFFFAOYSA-N 0 0 179.263 2.243 10 0 AEAERN C[C@@H](NCc1ccoc1)C(F)(F)F 308272564 573131471 /nfs/dbraw/zinc/13/14/71/573131471.db2.gz SVHWVVPKRXXDHR-ZCFIWIBFSA-N 0 0 193.168 2.320 10 0 AEAERN CCOC(=O)N[C@@H]1Cc2ccccc21 238282587 573131476 /nfs/dbraw/zinc/13/14/76/573131476.db2.gz AFRAHFRLZYRRSN-SNVBAGLBSA-N 0 0 191.230 2.030 10 0 AEAERN CC(F)(F)Oc1ccc(CO)cc1 114873425 573131501 /nfs/dbraw/zinc/13/15/01/573131501.db2.gz HCUOAVLFJATZTK-UHFFFAOYSA-N 0 0 188.173 2.170 10 0 AEAERN CC[C@@H](O)/C=C(/C)Br 238282334 573131544 /nfs/dbraw/zinc/13/15/44/573131544.db2.gz JYXTZISDTXWLPS-WWVFMHICSA-N 0 0 179.057 2.056 10 0 AEAERN CC[C@@H]1C[C@H](C)C[C@@H](CO)C1 238282205 573131561 /nfs/dbraw/zinc/13/15/61/573131561.db2.gz OEUNAJHAUZUMSP-IVZWLZJFSA-N 0 0 156.269 2.441 10 0 AEAERN Cc1cc(F)cc2c1CCCN2 85730536 573131652 /nfs/dbraw/zinc/13/16/52/573131652.db2.gz VVAKDQXVPSXWOO-UHFFFAOYSA-N 0 0 165.211 2.492 10 0 AEAERN CCc1[nH]c(C(C)=O)c(C)c1C 238281959 573131674 /nfs/dbraw/zinc/13/16/74/573131674.db2.gz OVFJBXXILVZGFI-UHFFFAOYSA-N 0 0 165.236 2.397 10 0 AEAERN CO[C@H](C(=O)CCC1CC1)C(C)C 131966459 573131691 /nfs/dbraw/zinc/13/16/91/573131691.db2.gz RRXPPGPWMMUOGK-NSHDSACASA-N 0 0 184.279 2.417 10 0 AEAERN COc1ccc(C)c(C)c1[C@@H](C)CO 257951739 573133192 /nfs/dbraw/zinc/13/31/92/573133192.db2.gz AZRQSUSWBGKUTP-VIFPVBQESA-N 0 0 194.274 2.408 10 0 AEAERN C[C@@H](O)C1=CCC(C)(C)C1 141903307 573131724 /nfs/dbraw/zinc/13/17/24/573131724.db2.gz ACWJVZOHQKVCLX-SSDOTTSWSA-N 0 0 140.226 2.114 10 0 AEAERN Clc1cc(C2CC2)nc2ccnn12 82617816 573131782 /nfs/dbraw/zinc/13/17/82/573131782.db2.gz YQUXIKCVENKGIF-UHFFFAOYSA-N 0 0 193.637 2.260 10 0 AEAERN CC(F)(F)c1ccc(C=O)cn1 114870169 573131822 /nfs/dbraw/zinc/13/18/22/573131822.db2.gz FNTPXUFKODMJQS-UHFFFAOYSA-N 0 0 171.146 2.006 10 0 AEAERN CCCC[C@H](O)C1(OC)CCCC1 128778256 573131829 /nfs/dbraw/zinc/13/18/29/573131829.db2.gz BUHRLIOGEBGZMU-JTQLQIEISA-N 0 0 186.295 2.497 10 0 AEAERN Cc1ccc([C@H](O)C2CC2)c(N)c1 257951896 573131895 /nfs/dbraw/zinc/13/18/95/573131895.db2.gz WIXLSTOWKXBKAY-LLVKDONJSA-N 0 0 177.247 2.021 10 0 AEAERN O=C1C[C@H]2CCOc3cccc1c32 82617868 573131921 /nfs/dbraw/zinc/13/19/21/573131921.db2.gz OXXOSGGJMQILFM-SSDOTTSWSA-N 0 0 174.199 2.139 10 0 AEAERN C[C@H]1CCc2nc(C3CCC3)nn2C1 258534842 573131970 /nfs/dbraw/zinc/13/19/70/573131970.db2.gz SKNVBSFIMRVYJP-QMMMGPOBSA-N 0 0 191.278 2.128 10 0 AEAERN CCCCC(F)(F)[C@@H](C)O 258533936 573132054 /nfs/dbraw/zinc/13/20/54/573132054.db2.gz NQCWJXFWNKBSQH-ZCFIWIBFSA-N 0 0 152.184 2.193 10 0 AEAERN C[C@@H]1C[C@H](O)c2cc(F)ccc21 82618495 573132215 /nfs/dbraw/zinc/13/22/15/573132215.db2.gz JSGOQKRMXIWYHP-LDWIPMOCSA-N 0 0 166.195 2.366 10 0 AEAERN C[C@H]1CCc2nc(C(C)(C)C)nn2C1 258534825 573132141 /nfs/dbraw/zinc/13/21/41/573132141.db2.gz SKIVVQVWAIPQKQ-QMMMGPOBSA-N 0 0 193.294 2.158 10 0 AEAERN CC[C@H]1Cc2cc(O)ccc2O1 141926235 573132169 /nfs/dbraw/zinc/13/21/69/573132169.db2.gz 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FXZFKQVLLCXPKH-MRVPVSSYSA-N 0 0 180.247 2.050 10 0 AEAERN CC(C)/C=C\C(=O)OC[C@@H]1C[C@H]1C 308278648 573134270 /nfs/dbraw/zinc/13/42/70/573134270.db2.gz WCXWLHFJNIFEPN-OOMSKYPHSA-N 0 0 182.263 2.398 10 0 AEAERN CC[C@H](C)[C@H](O)c1ccc(F)nc1 686127437 573134536 /nfs/dbraw/zinc/13/45/36/573134536.db2.gz QDAFDMDHAGXMOH-XVKPBYJWSA-N 0 0 183.226 2.300 10 0 AEAERN CCCc1nc([C@H](CC)CO)[nH]c1C 258535830 573134303 /nfs/dbraw/zinc/13/43/03/573134303.db2.gz JAQKPZNUGKSJHT-SECBINFHSA-N 0 0 196.294 2.157 10 0 AEAERN C[C@H]1C[C@H](O)c2cccc(F)c21 82618516 573134325 /nfs/dbraw/zinc/13/43/25/573134325.db2.gz PSVQSZCCQUELOD-RCOVLWMOSA-N 0 0 166.195 2.366 10 0 AEAERN CCC(=O)Nc1ccc(N)c(Cl)c1 123704242 573134438 /nfs/dbraw/zinc/13/44/38/573134438.db2.gz UPWPEYVUFNURBQ-UHFFFAOYSA-N 0 0 198.653 2.271 10 0 AEAERN CC[C@@H]1Cc2cc(O)ccc2O1 141926023 573134459 /nfs/dbraw/zinc/13/44/59/573134459.db2.gz DSVGNQYRUUUKSS-SECBINFHSA-N 0 0 164.204 2.106 10 0 AEAERN CC(C)/C=C/C(=O)OC[C@@H]1C[C@H]1C 308278646 573134465 /nfs/dbraw/zinc/13/44/65/573134465.db2.gz WCXWLHFJNIFEPN-CFUOYWMPSA-N 0 0 182.263 2.398 10 0 AEAERN CO[C@@H]1C[C@@H]1C(=O)C[C@@H]1CC=CCC1 689921574 573134544 /nfs/dbraw/zinc/13/45/44/573134544.db2.gz DYMVPLSCNPNIFT-CKYFFXLPSA-N 0 0 194.274 2.337 10 0 AEAERN COc1cccc2c1C[C@H](C)CC2=O 82617851 573134550 /nfs/dbraw/zinc/13/45/50/573134550.db2.gz XDPYEXHTRNKXDD-QMMMGPOBSA-N 0 0 190.242 2.460 10 0 AEAERN Nc1cccc(C2CCC(=O)CC2)c1 259338490 573134571 /nfs/dbraw/zinc/13/45/71/573134571.db2.gz PBQAJKAIQIIKHL-UHFFFAOYSA-N 0 0 189.258 2.496 10 0 AEAERN C[C@@H]1C[C@H](O)c2cccc(F)c21 82618515 573134576 /nfs/dbraw/zinc/13/45/76/573134576.db2.gz PSVQSZCCQUELOD-MUWHJKNJSA-N 0 0 166.195 2.366 10 0 AEAERN CCN1CCC(=O)[C@@H]1[C@@]1(C)CC1(C)C 717148469 573134614 /nfs/dbraw/zinc/13/46/14/573134614.db2.gz IYLTWEIDCCIMCZ-ZYHUDNBSSA-N 0 0 195.306 2.086 10 0 AEAERN C[C@@H](Cc1nnc(N)s1)C(C)(C)C 82628422 573134625 /nfs/dbraw/zinc/13/46/25/573134625.db2.gz SKFJROCIORSPFC-LURJTMIESA-N 0 0 199.323 2.345 10 0 AEAERN OC1([C@@H]2CCCS2)CCCC1 257953348 573134628 /nfs/dbraw/zinc/13/46/28/573134628.db2.gz IUINFIWPXMIPAF-QMMMGPOBSA-N 0 0 172.293 2.187 10 0 AEAERN COc1ccc2c(c1)[C@H](O)C[C@H](C)C2 82618447 573134689 /nfs/dbraw/zinc/13/46/89/573134689.db2.gz QAUTXDKRRMDLQS-PRHODGIISA-N 0 0 192.258 2.311 10 0 AEAERN C[C@H](CC1N=NC(=S)N1)C(C)(C)C 82628453 573134695 /nfs/dbraw/zinc/13/46/95/573134695.db2.gz BGMUCMRJJXTOOR-ZCFIWIBFSA-N 0 0 199.323 2.318 10 0 AEAERN CC1(C)CC(=O)C[N@@H+]1C1CCCCC1 259338648 573134716 /nfs/dbraw/zinc/13/47/16/573134716.db2.gz JDTYPPDRCVIFAN-UHFFFAOYSA-N 0 0 195.306 2.373 10 0 AEAERN CC[C@@H]1C(=O)Nc2cccc(OC)c21 238299138 573134725 /nfs/dbraw/zinc/13/47/25/573134725.db2.gz LQSLJYPMGLCAAB-ZETCQYMHSA-N 0 0 191.230 2.141 10 0 AEAERN OC1(CC[C@@H]2CCCCO2)CCC1 257953362 573134738 /nfs/dbraw/zinc/13/47/38/573134738.db2.gz IUORHKGOGDGRJX-JTQLQIEISA-N 0 0 184.279 2.251 10 0 AEAERN CCn1ccc2cc(O)c(OC)cc21 238299127 573134749 /nfs/dbraw/zinc/13/47/49/573134749.db2.gz QKXTYZNXZJEJBA-UHFFFAOYSA-N 0 0 191.230 2.375 10 0 AEAERN CC[C@H](NC(C)=S)C(C)C 238283287 573134766 /nfs/dbraw/zinc/13/47/66/573134766.db2.gz UZNGDWKEQKZOAQ-QMMMGPOBSA-N 0 0 159.298 2.358 10 0 AEAERN COC1([C@@H](O)CC2CC2)CCCC1 128780645 573134769 /nfs/dbraw/zinc/13/47/69/573134769.db2.gz SSGGNMBNWVUFON-JTQLQIEISA-N 0 0 184.279 2.107 10 0 AEAERN FCCOc1ccc2c(c1)NCCC2 257953229 573134776 /nfs/dbraw/zinc/13/47/76/573134776.db2.gz IRWNBTLPFJLSCS-UHFFFAOYSA-N 0 0 195.237 2.393 10 0 AEAERN CC(C)(C)[C@@H](NN)C(C1CC1)C1CC1 308502343 573134783 /nfs/dbraw/zinc/13/47/83/573134783.db2.gz XDPDLOPOGQAGIJ-NSHDSACASA-N 0 0 196.338 2.301 10 0 AEAERN CC[C@@H]1CC[C@@H]([C@H](NN)C2CCC2)C1 253018175 573135245 /nfs/dbraw/zinc/13/52/45/573135245.db2.gz WISNQEDQGJISMG-YUSALJHKSA-N 0 0 196.338 2.445 10 0 AEAERN CC[C@@H](O)c1cc(F)cc(OC)c1 238283656 573135288 /nfs/dbraw/zinc/13/52/88/573135288.db2.gz ZLGXIZFANWPQKQ-SNVBAGLBSA-N 0 0 184.210 2.278 10 0 AEAERN CCc1ccc([C@H](O)CC)nc1 238283882 573135414 /nfs/dbraw/zinc/13/54/14/573135414.db2.gz YRMLRUPLSPTZNY-SNVBAGLBSA-N 0 0 165.236 2.087 10 0 AEAERN CC(=O)C(C(F)(F)F)C(F)(F)F 141952762 573135439 /nfs/dbraw/zinc/13/54/39/573135439.db2.gz PBVQUJAVSFZUPH-UHFFFAOYSA-N 0 0 194.074 2.316 10 0 AEAERN CCc1ccc(/C=C/CON)cc1 258480402 573136185 /nfs/dbraw/zinc/13/61/85/573136185.db2.gz BLRDBLCGIIGXQZ-ONEGZZNKSA-N 0 0 177.247 2.153 10 0 AEAERN Cn1c(Cl)cnc1-c1ccncc1 258535513 573135549 /nfs/dbraw/zinc/13/55/49/573135549.db2.gz MZSBBMRLMUZJSM-UHFFFAOYSA-N 0 0 193.637 2.136 10 0 AEAERN C[C@@H]1C[C@@H](O)c2cccc(F)c21 82618517 573135345 /nfs/dbraw/zinc/13/53/45/573135345.db2.gz PSVQSZCCQUELOD-HZGVNTEJSA-N 0 0 166.195 2.366 10 0 AEAERN CC[C@@H]1[C@H]2CCC[C@@]12C(C)=O 238299073 573135357 /nfs/dbraw/zinc/13/53/57/573135357.db2.gz CNUZSBIJRAZBGK-OPRDCNLKSA-N 0 0 152.237 2.402 10 0 AEAERN CC[C@H](C)c1nccc(C)n1 238283284 573135697 /nfs/dbraw/zinc/13/56/97/573135697.db2.gz MOQSDKLGEOUEIT-ZETCQYMHSA-N 0 0 150.225 2.299 10 0 AEAERN CCC[C@@H]1[C@H]2CC[C@@H]1C(=O)C2 238283345 573135755 /nfs/dbraw/zinc/13/57/55/573135755.db2.gz PMMFBQHDPRXLFU-YIZRAAEISA-N 0 0 152.237 2.402 10 0 AEAERN CC(=O)c1ccc(C)c(F)c1O 257952072 573135788 /nfs/dbraw/zinc/13/57/88/573135788.db2.gz FSWOMJGQBYMWSM-UHFFFAOYSA-N 0 0 168.167 2.042 10 0 AEAERN OC1(Cc2cccc(F)c2)CCC1 85754326 573135986 /nfs/dbraw/zinc/13/59/86/573135986.db2.gz AJMJMFSKMLOAMG-UHFFFAOYSA-N 0 0 180.222 2.283 10 0 AEAERN COC/C(C)=C\CC[C@H](C)CCO 218810485 573135906 /nfs/dbraw/zinc/13/59/06/573135906.db2.gz VYSYEQWICNOAKV-OYUORYAFSA-N 0 0 186.295 2.378 10 0 AEAERN COC(=O)/C=C\c1ccsc1C 218763552 573135936 /nfs/dbraw/zinc/13/59/36/573135936.db2.gz YFUJMRYOZDTEKA-ARJAWSKDSA-N 0 0 182.244 2.243 10 0 AEAERN CCC(=O)C/C=C\C[C@H](O)CC 218788915 573135964 /nfs/dbraw/zinc/13/59/64/573135964.db2.gz PTOYRYYKTVNZFF-SSJHQANKSA-N 0 0 170.252 2.073 10 0 AEAERN C/C=C1\[C@@H](CC)[C@@H]1C(C)=O 238283430 573135994 /nfs/dbraw/zinc/13/59/94/573135994.db2.gz VLOOPKMYQGNEMA-AOZRHXBJSA-N 0 0 138.210 2.178 10 0 AEAERN CC(C)/C=C/C(=O)OC[C@@H]1C[C@@H]1C 308278645 573136020 /nfs/dbraw/zinc/13/60/20/573136020.db2.gz WCXWLHFJNIFEPN-AWAZDUCLSA-N 0 0 182.263 2.398 10 0 AEAERN CCCc1nc([C@@H](CC)CO)[nH]c1C 258535836 573136056 /nfs/dbraw/zinc/13/60/56/573136056.db2.gz JAQKPZNUGKSJHT-VIFPVBQESA-N 0 0 196.294 2.157 10 0 AEAERN CCOC(=O)N[C@@]12CCCC[C@@H]1CC2 238283662 573136074 /nfs/dbraw/zinc/13/60/74/573136074.db2.gz PSPGALUVCMZSFN-MWLCHTKSSA-N 0 0 197.278 2.455 10 0 AEAERN Nc1ncc(/C=C\c2ccccc2)o1 308277776 573136124 /nfs/dbraw/zinc/13/61/24/573136124.db2.gz RXYZJLNVSUVRRE-SREVYHEPSA-N 0 0 186.214 2.427 10 0 AEAERN CC1(c2c[nH]c3ccccc23)COC1 258480312 573136169 /nfs/dbraw/zinc/13/61/69/573136169.db2.gz BOFZYCIITRFMLZ-UHFFFAOYSA-N 0 0 187.242 2.456 10 0 AEAERN COCCn1ccc2cc(F)ccc21 82644016 573136257 /nfs/dbraw/zinc/13/62/57/573136257.db2.gz LRUPVQYRGWXKOQ-UHFFFAOYSA-N 0 0 193.221 2.427 10 0 AEAERN C[C@@H](F)CCN1CCC[C@H]1C(F)F 308279703 573136280 /nfs/dbraw/zinc/13/62/80/573136280.db2.gz WPRJPTPCUHDSMO-SFYZADRCSA-N 0 0 195.228 2.464 10 0 AEAERN CC[C@H]1C(=O)Cc2ccccc21 238284155 573136311 /nfs/dbraw/zinc/13/63/11/573136311.db2.gz ARVZHNOQGGTQSX-SECBINFHSA-N 0 0 160.216 2.305 10 0 AEAERN CC[C@](C)(C(C)=O)[NH+]1CCCCC1 85749367 573136365 /nfs/dbraw/zinc/13/63/65/573136365.db2.gz XMWYXCINIIIIIC-LLVKDONJSA-N 0 0 183.295 2.230 10 0 AEAERN CCc1sc(N)nc1[C@@H]1CCCO1 258235494 573136386 /nfs/dbraw/zinc/13/63/86/573136386.db2.gz ZTXMYPSHTRLQSG-LURJTMIESA-N 0 0 198.291 2.139 10 0 AEAERN CCc1ncc(Cl)cc1O 238284276 573136433 /nfs/dbraw/zinc/13/64/33/573136433.db2.gz WJMIOMLKZOHLPN-UHFFFAOYSA-N 0 0 157.600 2.003 10 0 AEAERN CC[C@@H](O)[C@H](O)CC1(CC)CCC1 308277595 573136474 /nfs/dbraw/zinc/13/64/74/573136474.db2.gz WITSQDKCYMUTDU-NXEZZACHSA-N 0 0 186.295 2.089 10 0 AEAERN c1nocc1OC[C@@H]1CCCSC1 258535834 573136546 /nfs/dbraw/zinc/13/65/46/573136546.db2.gz NTRHENKEXPXTJZ-QMMMGPOBSA-N 0 0 199.275 2.197 10 0 AEAERN CCc1cc(O)cc(CC)c1C=O 114909502 573136552 /nfs/dbraw/zinc/13/65/52/573136552.db2.gz PTEOEIVEPOHCDT-UHFFFAOYSA-N 0 0 178.231 2.330 10 0 AEAERN Cc1ccnc([C@@H](O)CC(C)C)c1 82643560 573136559 /nfs/dbraw/zinc/13/65/59/573136559.db2.gz VENYDURLZQBPDW-NSHDSACASA-N 0 0 179.263 2.470 10 0 AEAERN CC[C@H]1C(=O)CC1(C)C 238283803 573136574 /nfs/dbraw/zinc/13/65/74/573136574.db2.gz ZNWGDNJEHINBRK-LURJTMIESA-N 0 0 126.199 2.012 10 0 AEAERN C[C@]1(c2ccccc2)CCNC(=O)O1 114913956 573136633 /nfs/dbraw/zinc/13/66/33/573136633.db2.gz JFGPIAVPHSGOIA-LLVKDONJSA-N 0 0 191.230 2.032 10 0 AEAERN CC(C)CC(CC(C)C)NO 131985645 573136643 /nfs/dbraw/zinc/13/66/43/573136643.db2.gz BYMJYJPSNUORGA-UHFFFAOYSA-N 0 0 159.273 2.426 10 0 AEAERN C[C@@H]1[C@@H](C)Oc2ccccc2[C@@H]1O 141962185 573136647 /nfs/dbraw/zinc/13/66/47/573136647.db2.gz GQTZFRVNFAZFRQ-SOCHQFKDSA-N 0 0 178.231 2.137 10 0 AEAERN CCc1ccc(O)c2c1CCCC2=O 238283686 573136799 /nfs/dbraw/zinc/13/67/99/573136799.db2.gz IOIJUSZZRXXCGD-UHFFFAOYSA-N 0 0 190.242 2.474 10 0 AEAERN Cc1ccnc([C@H](O)C(C)(C)C)c1 82643535 573136815 /nfs/dbraw/zinc/13/68/15/573136815.db2.gz LXGRZTISAYIZIW-JTQLQIEISA-N 0 0 179.263 2.470 10 0 AEAERN CCOC(=O)N[C@@]12CCCC[C@H]1CC2 238283702 573136838 /nfs/dbraw/zinc/13/68/38/573136838.db2.gz PSPGALUVCMZSFN-GXSJLCMTSA-N 0 0 197.278 2.455 10 0 AEAERN C[C@H](O)Cc1ccc2cc[nH]c2c1F 257955898 573136880 /nfs/dbraw/zinc/13/68/80/573136880.db2.gz BIKDJPIEASYKED-ZETCQYMHSA-N 0 0 193.221 2.230 10 0 AEAERN C[C@@H](O)[C@@H]1CNc2ccc(Cl)cc21 258235489 573136883 /nfs/dbraw/zinc/13/68/83/573136883.db2.gz WRVUQNZJFFHYRN-MUWHJKNJSA-N 0 0 197.665 2.230 10 0 AEAERN C/C=C1\[C@@H](CC)[C@H]1C(C)=O 238283392 573136911 /nfs/dbraw/zinc/13/69/11/573136911.db2.gz VLOOPKMYQGNEMA-CNTVWIKJSA-N 0 0 138.210 2.178 10 0 AEAERN CC[C@@H](O)[C@@H](O)CC1(CC)CCC1 308277605 573136941 /nfs/dbraw/zinc/13/69/41/573136941.db2.gz WITSQDKCYMUTDU-ZJUUUORDSA-N 0 0 186.295 2.089 10 0 AEAERN Cc1ccnc(C(=O)c2cccnc2)c1 82643501 573136942 /nfs/dbraw/zinc/13/69/42/573136942.db2.gz IDXYOFAWRVLQBR-UHFFFAOYSA-N 0 0 198.225 2.016 10 0 AEAERN C=C(C(=O)NC(C)C)c1ccccc1 141964175 573137085 /nfs/dbraw/zinc/13/70/85/573137085.db2.gz NOZBMRMBBLKHIE-UHFFFAOYSA-N 0 0 189.258 2.224 10 0 AEAERN CC[C@@H](O)c1cccc([C@H](C)O)c1 238284565 573137130 /nfs/dbraw/zinc/13/71/30/573137130.db2.gz NGIAIFMAEOUCOM-GZMMTYOYSA-N 0 0 180.247 2.183 10 0 AEAERN CC[C@@H](C)[C@H](O)c1ccc(F)nc1 686127436 573137230 /nfs/dbraw/zinc/13/72/30/573137230.db2.gz QDAFDMDHAGXMOH-XCBNKYQSSA-N 0 0 183.226 2.300 10 0 AEAERN CO[C@@H]1C[C@H]1C(=O)C[C@@H]1CC=CCC1 689921606 573137240 /nfs/dbraw/zinc/13/72/40/573137240.db2.gz DYMVPLSCNPNIFT-JFGNBEQYSA-N 0 0 194.274 2.337 10 0 AEAERN CC(C)(C[C@@H]1CCCSC1)ON 259341108 573137278 /nfs/dbraw/zinc/13/72/78/573137278.db2.gz DTYWRQXULABNSL-QMMMGPOBSA-N 0 0 189.324 2.189 10 0 AEAERN CC[C@@H](O)c1ccc([Si](C)(C)C)o1 238284367 573137305 /nfs/dbraw/zinc/13/73/05/573137305.db2.gz SWFQNOSPQQDDGI-MRVPVSSYSA-N 0 0 198.338 2.268 10 0 AEAERN CC(=O)c1onc2c(F)cccc12 257956347 573137307 /nfs/dbraw/zinc/13/73/07/573137307.db2.gz WVMCYSQWSUGCPT-UHFFFAOYSA-N 0 0 179.150 2.170 10 0 AEAERN c1nscc1OC[C@@H]1CCCCO1 258535888 573137353 /nfs/dbraw/zinc/13/73/53/573137353.db2.gz NUINXUOSMUBWIK-QMMMGPOBSA-N 0 0 199.275 2.091 10 0 AEAERN CC[C@H](C)[C@@H](O)c1ccc(F)nc1 686127435 573137387 /nfs/dbraw/zinc/13/73/87/573137387.db2.gz QDAFDMDHAGXMOH-OIBJUYFYSA-N 0 0 183.226 2.300 10 0 AEAERN CC[C@H]1[C@H]2[C@@H]1CC(=O)C2(C)C 238299035 573137420 /nfs/dbraw/zinc/13/74/20/573137420.db2.gz ARUGGQCGDLSWAY-BHNWBGBOSA-N 0 0 152.237 2.258 10 0 AEAERN Cc1ccc(F)cc1Cc1ncc[nH]1 114920791 573137451 /nfs/dbraw/zinc/13/74/51/573137451.db2.gz IMCAVDUUWFKTPH-UHFFFAOYSA-N 0 0 190.221 2.448 10 0 AEAERN Cc1ccc(C[C@@H](F)[C@@H](C)O)cc1 257956519 573137492 /nfs/dbraw/zinc/13/74/92/573137492.db2.gz WYCIDKPSZSVMKB-MWLCHTKSSA-N 0 0 182.238 2.256 10 0 AEAERN CCCOC(=O)Nc1cccnc1 114933615 573137493 /nfs/dbraw/zinc/13/74/93/573137493.db2.gz PSVBZJSVKWCCQU-UHFFFAOYSA-N 0 0 180.207 2.040 10 0 AEAERN Cc1ccnc([C@@H](O)C(C)C)c1 82643593 573137496 /nfs/dbraw/zinc/13/74/96/573137496.db2.gz BQTXEWPJXWOHCY-JTQLQIEISA-N 0 0 165.236 2.079 10 0 AEAERN Cc1cc2c(cc1Cl)OC[C@H]2[NH3+] 104659670 573138198 /nfs/dbraw/zinc/13/81/98/573138198.db2.gz YZZWFVNTTWWDGA-MRVPVSSYSA-N 0 0 183.638 2.041 10 0 AEAERN COCc1sccc1C 114920159 573138998 /nfs/dbraw/zinc/13/89/98/573138998.db2.gz LISPYVNLSNDYDM-UHFFFAOYSA-N 0 0 142.223 2.203 10 0 AEAERN C=Cc1cccc2c1OCC[C@@H]2[NH3+] 104660974 573137988 /nfs/dbraw/zinc/13/79/88/573137988.db2.gz LTUIKXSBSHHXNP-JTQLQIEISA-N 0 0 175.231 2.112 10 0 AEAERN Cc1cnc(SC(C)C)o1 257956724 573138037 /nfs/dbraw/zinc/13/80/37/573138037.db2.gz XRZHNINGSLBORI-UHFFFAOYSA-N 0 0 157.238 2.484 10 0 AEAERN CCc1c(F)ccc(F)c1C=O 114911674 573138075 /nfs/dbraw/zinc/13/80/75/573138075.db2.gz VFMVFGMFNOBDJR-UHFFFAOYSA-N 0 0 170.158 2.340 10 0 AEAERN CCc1cccc(CON)c1Cl 238299670 573138117 /nfs/dbraw/zinc/13/81/17/573138117.db2.gz LUYQZUWOEOCZDP-UHFFFAOYSA-N 0 0 185.654 2.293 10 0 AEAERN C[C@H]1C[C@]1(C)Cn1ncc(Cl)c1N 714635113 573138157 /nfs/dbraw/zinc/13/81/57/573138157.db2.gz PGVVJGYMKNRVEC-IMTBSYHQSA-N 0 0 199.685 2.165 10 0 AEAERN CCc1nn(C)c2nc(Cl)ccc12 238289047 573138193 /nfs/dbraw/zinc/13/81/93/573138193.db2.gz OWPJYJQQEVEKTQ-UHFFFAOYSA-N 0 0 195.653 2.184 10 0 AEAERN C[C@@H]1OCC[C@@]1(C)n1cccc1 235484378 573138179 /nfs/dbraw/zinc/13/81/79/573138179.db2.gz UTABQRNKUUOHGV-VHSXEESVSA-N 0 0 165.236 2.012 10 0 AEAERN CCC(=O)C/C=C\CC(=O)CC 218787617 573138208 /nfs/dbraw/zinc/13/82/08/573138208.db2.gz VKNUKUYZUZUUOB-WAYWQWQTSA-N 0 0 168.236 2.281 10 0 AEAERN C[C@@H](O)Cc1ccc2cc[nH]c2c1F 257955897 573138222 /nfs/dbraw/zinc/13/82/22/573138222.db2.gz BIKDJPIEASYKED-SSDOTTSWSA-N 0 0 193.221 2.230 10 0 AEAERN CC(C)n1nc(N)cc1C1CCC1 257956555 573138312 /nfs/dbraw/zinc/13/83/12/573138312.db2.gz WZHPKWCGPCRVMB-UHFFFAOYSA-N 0 0 179.267 2.314 10 0 AEAERN CCc1ccc(O)c(CC)c1C=O 114909223 573138383 /nfs/dbraw/zinc/13/83/83/573138383.db2.gz QDIYNPDIOHTUKA-UHFFFAOYSA-N 0 0 178.231 2.330 10 0 AEAERN FC(F)CCCNOC1CCCC1 688735252 573138375 /nfs/dbraw/zinc/13/83/75/573138375.db2.gz OWVKNJPWSIZEEC-UHFFFAOYSA-N 0 0 193.237 2.496 10 0 AEAERN OCCCc1ccc2c(c1)SCC2 257956038 573138418 /nfs/dbraw/zinc/13/84/18/573138418.db2.gz BKQFXHXTAFLAAP-UHFFFAOYSA-N 0 0 194.299 2.260 10 0 AEAERN BrC1(Br)CC1 114932956 573138569 /nfs/dbraw/zinc/13/85/69/573138569.db2.gz RGDPYGJFXILIQP-UHFFFAOYSA-N 0 0 199.873 2.266 10 0 AEAERN CCOc1ccc(NC)c([S-])c1 238289600 573138576 /nfs/dbraw/zinc/13/85/76/573138576.db2.gz HRXSDRILNBRXIJ-UHFFFAOYSA-N 0 0 183.276 2.416 10 0 AEAERN CCc1c(Cl)[nH]c(C=O)c1C 238289583 573138634 /nfs/dbraw/zinc/13/86/34/573138634.db2.gz WINWKQCNCWXXEM-UHFFFAOYSA-N 0 0 171.627 2.351 10 0 AEAERN CCOC(=O)Nc1cccc(C)c1N 238289148 573138681 /nfs/dbraw/zinc/13/86/81/573138681.db2.gz CJVCKWPPVWNSAR-UHFFFAOYSA-N 0 0 194.234 2.146 10 0 AEAERN Cc1cc(C)c2cc[nH]c(=O)c2c1 123711512 573138706 /nfs/dbraw/zinc/13/87/06/573138706.db2.gz WLMTWDGODHUIRH-UHFFFAOYSA-N 0 0 173.215 2.145 10 0 AEAERN CCC[C@H]([NH3+])c1ccc(C)cn1 104661551 573138781 /nfs/dbraw/zinc/13/87/81/573138781.db2.gz IHTQBZDEQAFHPK-VIFPVBQESA-N 0 0 164.252 2.190 10 0 AEAERN OCCc1c(F)cc(F)c2occc12 257955888 573138790 /nfs/dbraw/zinc/13/87/90/573138790.db2.gz BIEMDSMNTCMQMN-UHFFFAOYSA-N 0 0 198.168 2.246 10 0 AEAERN C[C@@H]1C[C@]1(C)Cn1ncc(Cl)c1N 714635108 573139028 /nfs/dbraw/zinc/13/90/28/573139028.db2.gz PGVVJGYMKNRVEC-HZGVNTEJSA-N 0 0 199.685 2.165 10 0 AEAERN Cc1c(F)cccc1-c1cnoc1N 257956113 573138991 /nfs/dbraw/zinc/13/89/91/573138991.db2.gz BLRFIIYKKKFOQF-UHFFFAOYSA-N 0 0 192.193 2.371 10 0 AEAERN Cc1cc(C(F)(F)F)c(C=O)o1 257956463 573139058 /nfs/dbraw/zinc/13/90/58/573139058.db2.gz GHFPHKJJFLSHQK-UHFFFAOYSA-N 0 0 178.109 2.419 10 0 AEAERN CC(C)c1cnccc1C[C@@H](C)O 259338081 573139086 /nfs/dbraw/zinc/13/90/86/573139086.db2.gz OZVJUKDUKXGCNQ-SECBINFHSA-N 0 0 179.263 2.128 10 0 AEAERN CCn1ncc(C(C)=O)c1C(C)C 257730976 573139096 /nfs/dbraw/zinc/13/90/96/573139096.db2.gz QKHKUUJHDQGGSJ-UHFFFAOYSA-N 0 0 180.251 2.229 10 0 AEAERN CCc1c(C)c(C)c(N)c(N)c1C 238289441 573139146 /nfs/dbraw/zinc/13/91/46/573139146.db2.gz SEVZUMCBIRKILT-UHFFFAOYSA-N 0 0 178.279 2.339 10 0 AEAERN CC[C@@](C)(O)c1ccc(C=O)cc1 238299303 573139152 /nfs/dbraw/zinc/13/91/52/573139152.db2.gz XTYIZQBXYHQTRC-LLVKDONJSA-N 0 0 178.231 2.117 10 0 AEAERN C[C@@H]1C[C@@]1(C)Cn1ncc(Cl)c1N 714635120 573139182 /nfs/dbraw/zinc/13/91/82/573139182.db2.gz PGVVJGYMKNRVEC-MUWHJKNJSA-N 0 0 199.685 2.165 10 0 AEAERN C[C@H]1Cc2cccc(N)c2C1 104659306 573139228 /nfs/dbraw/zinc/13/92/28/573139228.db2.gz UCNLMIYVGWJZBX-ZETCQYMHSA-N 0 0 147.221 2.004 10 0 AEAERN Cc1ccc(C[C@H](F)[C@@H](C)O)cc1 257956518 573139245 /nfs/dbraw/zinc/13/92/45/573139245.db2.gz WYCIDKPSZSVMKB-KOLCDFICSA-N 0 0 182.238 2.256 10 0 AEAERN CCc1c(O)cc(C)c(N)c1C 238289708 573139261 /nfs/dbraw/zinc/13/92/61/573139261.db2.gz VXQXIAKBLXEBPE-UHFFFAOYSA-N 0 0 165.236 2.154 10 0 AEAERN COCCOc1sccc1C 114920107 573139271 /nfs/dbraw/zinc/13/92/71/573139271.db2.gz LTLMQBNRRALKJP-UHFFFAOYSA-N 0 0 172.249 2.082 10 0 AEAERN Cc1nc(C[C@H](C)C(C)(C)C)n[nH]1 82636470 573139345 /nfs/dbraw/zinc/13/93/45/573139345.db2.gz HPPCRYBMJDABND-ZETCQYMHSA-N 0 0 181.283 2.338 10 0 AEAERN CC(C)c1cnccc1C[C@H](C)O 259338085 573139293 /nfs/dbraw/zinc/13/92/93/573139293.db2.gz OZVJUKDUKXGCNQ-VIFPVBQESA-N 0 0 179.263 2.128 10 0 AEAERN Cc1ccnc(C(=O)C(C)C)c1 82643469 573139297 /nfs/dbraw/zinc/13/92/97/573139297.db2.gz KJUWIZZHTHIGNM-UHFFFAOYSA-N 0 0 163.220 2.229 10 0 AEAERN C[C@@H](O)[C@H]1CNc2ccc(Cl)cc21 258235481 573139308 /nfs/dbraw/zinc/13/93/08/573139308.db2.gz WRVUQNZJFFHYRN-HZGVNTEJSA-N 0 0 197.665 2.230 10 0 AEAERN CCc1c(F)ccc2c1[C@H]([NH3+])CCO2 238299619 573139341 /nfs/dbraw/zinc/13/93/41/573139341.db2.gz DCZPLFRHLLRCOQ-SECBINFHSA-N 0 0 195.237 2.170 10 0 AEAERN C[C@H](O)[C@H]1CNc2ccc(Cl)cc21 258235486 573139317 /nfs/dbraw/zinc/13/93/17/573139317.db2.gz WRVUQNZJFFHYRN-IMTBSYHQSA-N 0 0 197.665 2.230 10 0 AEAERN CCc1sc(N)nc1[C@H]1CCCO1 258235497 573139453 /nfs/dbraw/zinc/13/94/53/573139453.db2.gz ZTXMYPSHTRLQSG-ZCFIWIBFSA-N 0 0 198.291 2.139 10 0 AEAERN OCc1cc2cccc3c2n1CCC3 257956565 573139786 /nfs/dbraw/zinc/13/97/86/573139786.db2.gz GHUJAPOLBUQPST-UHFFFAOYSA-N 0 0 187.242 2.080 10 0 AEAERN Oc1cccc(N2CCC(F)CC2)c1 258235662 573139490 /nfs/dbraw/zinc/13/94/90/573139490.db2.gz ZWCBHUXNDGBEDW-UHFFFAOYSA-N 0 0 195.237 2.331 10 0 AEAERN C[C@@H]1Oc2ccccc2[C@@H](O)[C@@H]1C 141961539 573139494 /nfs/dbraw/zinc/13/94/94/573139494.db2.gz GQTZFRVNFAZFRQ-FYBVGQRMSA-N 0 0 178.231 2.137 10 0 AEAERN Cc1ccnc([C@H](O)CC(C)C)c1 82643559 573139513 /nfs/dbraw/zinc/13/95/13/573139513.db2.gz VENYDURLZQBPDW-LLVKDONJSA-N 0 0 179.263 2.470 10 0 AEAERN O=Cc1nsc(Cl)c1Cl 114911258 573139546 /nfs/dbraw/zinc/13/95/46/573139546.db2.gz AEYRZYFKLNIPRT-UHFFFAOYSA-N 0 0 182.031 2.262 10 0 AEAERN Cc1ccc2c(=O)[nH]ccc2c1C 123709673 573139790 /nfs/dbraw/zinc/13/97/90/573139790.db2.gz KQOQJMYYHPQHOV-UHFFFAOYSA-N 0 0 173.215 2.145 10 0 AEAERN C[C@@H](O)c1cccc(N2CCCC2)c1 257956106 573139588 /nfs/dbraw/zinc/13/95/88/573139588.db2.gz BLLHUEAUQWVADS-SNVBAGLBSA-N 0 0 191.274 2.340 10 0 AEAERN C[C@H]1C[C@@]1(C)Cn1ncc(Cl)c1N 714635124 573139604 /nfs/dbraw/zinc/13/96/04/573139604.db2.gz PGVVJGYMKNRVEC-RCOVLWMOSA-N 0 0 199.685 2.165 10 0 AEAERN C(=C\C1CC1)\c1nnc(C2CC2)o1 308281216 573139627 /nfs/dbraw/zinc/13/96/27/573139627.db2.gz XVKYPOMKKIPJHS-UTCJRWHESA-N 0 0 176.219 2.370 10 0 AEAERN CC[C@@H]1OC(=O)NCC1(CC)CC 238289746 573139634 /nfs/dbraw/zinc/13/96/34/573139634.db2.gz GYPPYHZMMHEOIK-QMMMGPOBSA-N 0 0 185.267 2.311 10 0 AEAERN COC(C)(C)Cc1cccc(C=O)c1 259340694 573139661 /nfs/dbraw/zinc/13/96/61/573139661.db2.gz HFOZSODGWRXSFN-UHFFFAOYSA-N 0 0 192.258 2.467 10 0 AEAERN Cc1ccc(C[C@H](F)[C@H](C)O)cc1 257956520 573139679 /nfs/dbraw/zinc/13/96/79/573139679.db2.gz WYCIDKPSZSVMKB-ONGXEEELSA-N 0 0 182.238 2.256 10 0 AEAERN COC(=O)[C@H](F)CC1CCCC1 257953496 573139752 /nfs/dbraw/zinc/13/97/52/573139752.db2.gz WMNUIROMOMBOOR-MRVPVSSYSA-N 0 0 174.215 2.078 10 0 AEAERN CC[C@@H]1OC(=O)C[C@H](C)C1(C)C 238289528 573139805 /nfs/dbraw/zinc/13/98/05/573139805.db2.gz FBAXFRGLGMDWCM-YUMQZZPRSA-N 0 0 170.252 2.374 10 0 AEAERN CC[C@@H]1C2CCC(CC2)[C@H]1O 238299456 573139846 /nfs/dbraw/zinc/13/98/46/573139846.db2.gz JJUASXGOJGTQQR-YDYPAMBWSA-N 0 0 154.253 2.194 10 0 AEAERN CC(=O)C[C@@H]1Cc2cc(F)ccc2N1 258235623 573139874 /nfs/dbraw/zinc/13/98/74/573139874.db2.gz WTCMBDXCHWLHGL-SNVBAGLBSA-N 0 0 193.221 2.141 10 0 AEAERN NNSc1ccc2c(c1)CCCC2 259342051 573139979 /nfs/dbraw/zinc/13/99/79/573139979.db2.gz XZAYTNFJFGXPHY-UHFFFAOYSA-N 0 0 194.303 2.036 10 0 AEAERN COC(=O)[C@H](F)c1ccccc1C 257956534 573140026 /nfs/dbraw/zinc/14/00/26/573140026.db2.gz WYRSLALPZQVCMN-SECBINFHSA-N 0 0 182.194 2.179 10 0 AEAERN CCc1cccc(CO)c1Cl 238299615 573140038 /nfs/dbraw/zinc/14/00/38/573140038.db2.gz IWMPAGNADORSSY-UHFFFAOYSA-N 0 0 170.639 2.395 10 0 AEAERN Cc1ccnc([C@@H](O)C(C)(C)C)c1 82643536 573140039 /nfs/dbraw/zinc/14/00/39/573140039.db2.gz LXGRZTISAYIZIW-SNVBAGLBSA-N 0 0 179.263 2.470 10 0 AEAERN CC[C@H]1CCC(C)(C)C1=O 238289702 573140096 /nfs/dbraw/zinc/14/00/96/573140096.db2.gz IHALWLKRXPOSJC-ZETCQYMHSA-N 0 0 140.226 2.402 10 0 AEAERN CC[C@@H]1OC(=O)C[C@@H](C)C1(C)C 238289479 573140124 /nfs/dbraw/zinc/14/01/24/573140124.db2.gz FBAXFRGLGMDWCM-SFYZADRCSA-N 0 0 170.252 2.374 10 0 AEAERN NOCc1ccc2[nH]cc(Cl)c2c1 257956118 573140179 /nfs/dbraw/zinc/14/01/79/573140179.db2.gz BLTJGNTZBQMZHP-UHFFFAOYSA-N 0 0 196.637 2.212 10 0 AEAERN CCc1c(F)ccc2c1OCO2 238299651 573140197 /nfs/dbraw/zinc/14/01/97/573140197.db2.gz OUPXSYFGTOZTHJ-UHFFFAOYSA-N 0 0 168.167 2.117 10 0 AEAERN Cc1nc([C@H](CO)C(C)C)sc1C 259345125 573140201 /nfs/dbraw/zinc/14/02/01/573140201.db2.gz FHWZTJRCAIDDLG-SECBINFHSA-N 0 0 199.319 2.492 10 0 AEAERN CNc1nc(C(C)(C)C)co1 259342449 573140226 /nfs/dbraw/zinc/14/02/26/573140226.db2.gz ZEACPBFDRGJWTK-UHFFFAOYSA-N 0 0 154.213 2.014 10 0 AEAERN COCCc1sccc1C 114918277 573140240 /nfs/dbraw/zinc/14/02/40/573140240.db2.gz KSZNMXURNMXJNL-UHFFFAOYSA-N 0 0 156.250 2.245 10 0 AEAERN C[C@@H]1Cc2cccc(N)c2C1 104659301 573140260 /nfs/dbraw/zinc/14/02/60/573140260.db2.gz UCNLMIYVGWJZBX-SSDOTTSWSA-N 0 0 147.221 2.004 10 0 AEAERN Cc1c[nH]c2ccc(C3(O)CC3)cc12 257956009 573140281 /nfs/dbraw/zinc/14/02/81/573140281.db2.gz BKMXPHVDYKIOET-UHFFFAOYSA-N 0 0 187.242 2.458 10 0 AEAERN OC1(CC2CCCC2)CCC1 85754400 573140282 /nfs/dbraw/zinc/14/02/82/573140282.db2.gz QKURSWFDZXRPOP-UHFFFAOYSA-N 0 0 154.253 2.482 10 0 AEAERN Clc1sccc1[C@@H]1CC[NH2+]1 104660643 573140311 /nfs/dbraw/zinc/14/03/11/573140311.db2.gz JIVUFEAOICPDKG-LURJTMIESA-N 0 0 173.668 2.436 10 0 AEAERN C[C@@H]1Oc2ccccc2[C@H](O)[C@@H]1C 141961961 573140336 /nfs/dbraw/zinc/14/03/36/573140336.db2.gz GQTZFRVNFAZFRQ-VHSKPIJISA-N 0 0 178.231 2.137 10 0 AEAERN CCc1ccc([S-])c(C(=O)OC)c1 238289333 573140388 /nfs/dbraw/zinc/14/03/88/573140388.db2.gz RVSGTUZDLFLUGN-UHFFFAOYSA-N 0 0 196.271 2.324 10 0 AEAERN C[C@@H]1Cc2ccc([C@@H](C)CO)cc2O1 257955981 573140452 /nfs/dbraw/zinc/14/04/52/573140452.db2.gz BKFQHGSIQIVOCO-DTWKUNHWSA-N 0 0 192.258 2.106 10 0 AEAERN COc1cnn(C(C)C)c1Cl 258550623 573140517 /nfs/dbraw/zinc/14/05/17/573140517.db2.gz OOEFUEGBNHIRAG-UHFFFAOYSA-N 0 0 174.631 2.126 10 0 AEAERN CCS[C@@H]1NC(=O)c2ccccc21 238289728 573140532 /nfs/dbraw/zinc/14/05/32/573140532.db2.gz MMDKPFXHTYGOOS-JTQLQIEISA-N 0 0 193.271 2.182 10 0 AEAERN Cc1ccc(C[C@@H](F)[C@H](C)O)cc1 257956517 573140583 /nfs/dbraw/zinc/14/05/83/573140583.db2.gz WYCIDKPSZSVMKB-GXSJLCMTSA-N 0 0 182.238 2.256 10 0 AEAERN C[C@@H]([NH3+])c1cc2cc(N)ccc2o1 104659554 573140595 /nfs/dbraw/zinc/14/05/95/573140595.db2.gz NUILJNRNKOYBLN-ZCFIWIBFSA-N 0 0 176.219 2.035 10 0 AEAERN CCc1c(F)ccc2c1OCCC2=O 238299580 573140797 /nfs/dbraw/zinc/14/07/97/573140797.db2.gz YAECIKGXYJVAFR-UHFFFAOYSA-N 0 0 194.205 2.353 10 0 AEAERN C[C@H]1Cc2ccc([C@@H](C)CO)cc2O1 257955983 573140619 /nfs/dbraw/zinc/14/06/19/573140619.db2.gz BKFQHGSIQIVOCO-IUCAKERBSA-N 0 0 192.258 2.106 10 0 AEAERN C[C@H](O)c1cccc(N2CCCC2)c1 257956102 573140655 /nfs/dbraw/zinc/14/06/55/573140655.db2.gz BLLHUEAUQWVADS-JTQLQIEISA-N 0 0 191.274 2.340 10 0 AEAERN O=c1[nH]ccc2ccc(C3CC3)cc12 123711011 573140671 /nfs/dbraw/zinc/14/06/71/573140671.db2.gz BZBBPGNPGOCEOC-UHFFFAOYSA-N 0 0 185.226 2.406 10 0 AEAERN C/C=C/COc1nc(Cl)ncc1C 85786601 573140672 /nfs/dbraw/zinc/14/06/72/573140672.db2.gz XKXMOSUKFAALNY-ONEGZZNKSA-N 0 0 198.653 2.393 10 0 AEAERN CC(C)Oc1nc(Cl)ncc1F 85754697 573140728 /nfs/dbraw/zinc/14/07/28/573140728.db2.gz OONCRMLABNEZJW-UHFFFAOYSA-N 0 0 190.605 2.056 10 0 AEAERN CCc1cn2c[nH+]cc2cc1F 238299487 573140781 /nfs/dbraw/zinc/14/07/81/573140781.db2.gz UEHJCFSYWHOFLK-UHFFFAOYSA-N 0 0 164.183 2.036 10 0 AEAERN Cc1cc(C2(O)CCC2)cs1 85754599 573140813 /nfs/dbraw/zinc/14/08/13/573140813.db2.gz PHRAPKRUYCUIBA-UHFFFAOYSA-N 0 0 168.261 2.428 10 0 AEAERN Cc1cnc(Cl)nc1N1CCCC1 85786742 573140825 /nfs/dbraw/zinc/14/08/25/573140825.db2.gz DURDABPXWUAXBU-UHFFFAOYSA-N 0 0 197.669 2.039 10 0 AEAERN O=C1CCCCC[C@@H]1c1ncc[nH]1 141961502 573140847 /nfs/dbraw/zinc/14/08/47/573140847.db2.gz YFKNIPUUQKOTMJ-QMMMGPOBSA-N 0 0 178.235 2.027 10 0 AEAERN Cc1cc(C)c2cc[nH]c(=O)c2c1C 123711237 573140888 /nfs/dbraw/zinc/14/08/88/573140888.db2.gz AXCMKRYOLKDJSL-UHFFFAOYSA-N 0 0 187.242 2.453 10 0 AEAERN CCc1ccccc1N(C)CCCO 259342140 573140890 /nfs/dbraw/zinc/14/08/90/573140890.db2.gz SJLLXVSRPUBNOU-UHFFFAOYSA-N 0 0 193.290 2.068 10 0 AEAERN C[C@@H](CC1N=NC(=S)N1)C(C)(C)C 82636491 573141045 /nfs/dbraw/zinc/14/10/45/573141045.db2.gz BGMUCMRJJXTOOR-LURJTMIESA-N 0 0 199.323 2.318 10 0 AEAERN CCSc1nc(Cl)ncc1F 85786198 573141084 /nfs/dbraw/zinc/14/10/84/573141084.db2.gz CFVYHPFSQVPGDA-UHFFFAOYSA-N 0 0 192.646 2.381 10 0 AEAERN C[C@H](CO)c1ccc2c(c1)O[C@H](C)C2 257955986 573141102 /nfs/dbraw/zinc/14/11/02/573141102.db2.gz BKFQHGSIQIVOCO-RKDXNWHRSA-N 0 0 192.258 2.106 10 0 AEAERN CCOc1ccccc1C1(O)CCC1 85754501 573141106 /nfs/dbraw/zinc/14/11/06/573141106.db2.gz BQKOTTBLEFNJNL-UHFFFAOYSA-N 0 0 192.258 2.457 10 0 AEAERN Cc1cnc(Cl)nc1N[C@@H]1C[C@H]1C 85787898 573141122 /nfs/dbraw/zinc/14/11/22/573141122.db2.gz SAAQSKBYZIMZOY-IYSWYEEDSA-N 0 0 197.669 2.259 10 0 AEAERN CC[C@@H]1C2CCC(CC2)[C@@H]1O 238299435 573141130 /nfs/dbraw/zinc/14/11/30/573141130.db2.gz JJUASXGOJGTQQR-BMNUFHGDSA-N 0 0 154.253 2.194 10 0 AEAERN CCc1cn2cc(C(C)=O)sc2n1 238299311 573141167 /nfs/dbraw/zinc/14/11/67/573141167.db2.gz SWDBTAGKPKNSGU-UHFFFAOYSA-N 0 0 194.259 2.161 10 0 AEAERN CCc1c(F)ccc2c1[C@@H]([NH3+])CCO2 238299635 573141260 /nfs/dbraw/zinc/14/12/60/573141260.db2.gz DCZPLFRHLLRCOQ-VIFPVBQESA-N 0 0 195.237 2.170 10 0 AEAERN Cc1cnc(Cl)nc1N(C)C(C)C 85786800 573141301 /nfs/dbraw/zinc/14/13/01/573141301.db2.gz PEKOCNBLUAOSNB-UHFFFAOYSA-N 0 0 199.685 2.283 10 0 AEAERN CCc1c(F)ccc2c1OCC[C@@H]2[NH3+] 238299717 573141367 /nfs/dbraw/zinc/14/13/67/573141367.db2.gz GBTIETWBCVISJV-JTQLQIEISA-N 0 0 195.237 2.170 10 0 AEAERN CC[C@@H]1C(=[NH2+])c2ccccc2C1=O 238299279 573141421 /nfs/dbraw/zinc/14/14/21/573141421.db2.gz HAUYBGNBXUSZKH-SSDOTTSWSA-N 0 0 173.215 2.277 10 0 AEAERN CC(=O)C[C@H]1Cc2cc(F)ccc2N1 258235620 573141385 /nfs/dbraw/zinc/14/13/85/573141385.db2.gz WTCMBDXCHWLHGL-JTQLQIEISA-N 0 0 193.221 2.141 10 0 AEAERN CC(C)[C@@H](O)c1n[nH]c2ccccc12 89196202 573141432 /nfs/dbraw/zinc/14/14/32/573141432.db2.gz IHBRMUDXJZCKKB-LLVKDONJSA-N 0 0 190.246 2.252 10 0 AEAERN O=c1[nH]ccc2c(C3CC3)cccc12 123712383 573141468 /nfs/dbraw/zinc/14/14/68/573141468.db2.gz QMXCEACOLJJNPL-UHFFFAOYSA-N 0 0 185.226 2.406 10 0 AEAERN C[C@@]1(c2ccccc2)CCNC(=O)O1 114913957 573141470 /nfs/dbraw/zinc/14/14/70/573141470.db2.gz JFGPIAVPHSGOIA-NSHDSACASA-N 0 0 191.230 2.032 10 0 AEAERN C[C@@H](O)c1nc(-c2cc[nH]c2)cs1 259341983 573141501 /nfs/dbraw/zinc/14/15/01/573141501.db2.gz SYHHLKVJGIZALI-ZCFIWIBFSA-N 0 0 194.259 2.192 10 0 AEAERN CCc1ccc([S-])cc1N 238289598 573141565 /nfs/dbraw/zinc/14/15/65/573141565.db2.gz OICJSLGUKMNQOD-UHFFFAOYSA-N 0 0 153.250 2.120 10 0 AEAERN Cc1[nH]nc2c(Cl)c(N)ccc12 259340510 573141701 /nfs/dbraw/zinc/14/17/01/573141701.db2.gz HDJRSSSEOVDZNM-UHFFFAOYSA-N 0 0 181.626 2.107 10 0 AEAERN COc1ccc(C)cc1C1(O)CCC1 85754544 573141711 /nfs/dbraw/zinc/14/17/11/573141711.db2.gz QIQHCPPOFIHNEZ-UHFFFAOYSA-N 0 0 192.258 2.375 10 0 AEAERN Cc1ccnc([C@H](O)C(C)C)c1 82643592 573141770 /nfs/dbraw/zinc/14/17/70/573141770.db2.gz BQTXEWPJXWOHCY-SNVBAGLBSA-N 0 0 165.236 2.079 10 0 AEAERN CC(C)(C[C@H]1CCCSC1)ON 259341103 573141935 /nfs/dbraw/zinc/14/19/35/573141935.db2.gz DTYWRQXULABNSL-MRVPVSSYSA-N 0 0 189.324 2.189 10 0 AEAERN CC(C)CCc1ccc(C=O)nc1 225283656 573141823 /nfs/dbraw/zinc/14/18/23/573141823.db2.gz CBWBPRXXANBKCI-UHFFFAOYSA-N 0 0 177.247 2.483 10 0 AEAERN CCn1cccc1C(=O)C(C)C 238299285 573141844 /nfs/dbraw/zinc/14/18/44/573141844.db2.gz VHXHZQXKMQDRBM-UHFFFAOYSA-N 0 0 165.236 2.347 10 0 AEAERN O=Cc1cc2oc(Cl)cc2[nH]1 258537442 573141854 /nfs/dbraw/zinc/14/18/54/573141854.db2.gz OARZLIDKBQPJSK-UHFFFAOYSA-N 0 0 169.567 2.227 10 0 AEAERN CO[C@H]1Cc2ccc(F)cc21 258550289 573141934 /nfs/dbraw/zinc/14/19/34/573141934.db2.gz PHEOJPCLCVCXLY-VIFPVBQESA-N 0 0 152.168 2.069 10 0 AEAERN CCC[C@@H](C)[C@H](O)c1cnc(C)n1C 308503808 573141963 /nfs/dbraw/zinc/14/19/63/573141963.db2.gz XUTHFXMMETXSOL-KCJUWKMLSA-N 0 0 196.294 2.198 10 0 AEAERN CCc1c(C)c(N)c(C)c(N)c1C 238289694 573142046 /nfs/dbraw/zinc/14/20/46/573142046.db2.gz YYDNRZYIFYWBBP-UHFFFAOYSA-N 0 0 178.279 2.339 10 0 AEAERN CC(C)C1(C(F)(F)F)COC1 258549691 573142051 /nfs/dbraw/zinc/14/20/51/573142051.db2.gz KSZSCZLRFIWRCF-UHFFFAOYSA-N 0 0 168.158 2.221 10 0 AEAERN C[C@H](O)[C@@H]1CNc2ccc(Cl)cc21 258235493 573142082 /nfs/dbraw/zinc/14/20/82/573142082.db2.gz WRVUQNZJFFHYRN-RCOVLWMOSA-N 0 0 197.665 2.230 10 0 AEAERN COc1c(O)ccc2occc12 258481579 573142116 /nfs/dbraw/zinc/14/21/16/573142116.db2.gz JDPCAIZMKIPHLJ-UHFFFAOYSA-N 0 0 164.160 2.147 10 0 AEAERN CCC[C@H](C)[C@@H](O)c1cnc(C)n1C 308503807 573142150 /nfs/dbraw/zinc/14/21/50/573142150.db2.gz XUTHFXMMETXSOL-GZMMTYOYSA-N 0 0 196.294 2.198 10 0 AEAERN Nc1ccc(F)cc1CC1CC1 258537645 573142182 /nfs/dbraw/zinc/14/21/82/573142182.db2.gz ODSKWDRLTASZPG-UHFFFAOYSA-N 0 0 165.211 2.360 10 0 AEAERN CC[C@@](C)(O)c1ccc(C)cc1O 238299289 573142220 /nfs/dbraw/zinc/14/22/20/573142220.db2.gz YCKYEFHGZHZFIQ-LLVKDONJSA-N 0 0 180.247 2.318 10 0 AEAERN C[C@@](N)(F)C1=CCCCC1 258548563 573142238 /nfs/dbraw/zinc/14/22/38/573142238.db2.gz PFQHKGODLMQJNO-QMMMGPOBSA-N 0 0 143.205 2.131 10 0 AEAERN CC[C@@H]1[NH2+][C@H](C)[C@@H](O)c2ccccc21 238289228 573142305 /nfs/dbraw/zinc/14/23/05/573142305.db2.gz UYJQABLHNLIOPO-JFUSQASVSA-N 0 0 191.274 2.163 10 0 AEAERN CCc1c[nH+]c(N)c(C2CC2)c1 238299688 573142332 /nfs/dbraw/zinc/14/23/32/573142332.db2.gz LTUSLUPYMUYDDH-UHFFFAOYSA-N 0 0 162.236 2.104 10 0 AEAERN Cc1nc(C)n(CCCCCF)n1 393564823 573142337 /nfs/dbraw/zinc/14/23/37/573142337.db2.gz HSXKIGBTDKSHPW-UHFFFAOYSA-N 0 0 185.246 2.035 10 0 AEAERN CC[C@H](C)CC1(O)CCC1 85754393 573142379 /nfs/dbraw/zinc/14/23/79/573142379.db2.gz WJRIYWPOWCUZLF-QMMMGPOBSA-N 0 0 142.242 2.338 10 0 AEAERN OC1(c2cccc(F)c2F)CCC1 85754418 573142479 /nfs/dbraw/zinc/14/24/79/573142479.db2.gz DUIITEIEZGYLPL-UHFFFAOYSA-N 0 0 184.185 2.336 10 0 AEAERN CCc1c(F)ccc2c1OCC[C@H]2[NH3+] 238299774 573142494 /nfs/dbraw/zinc/14/24/94/573142494.db2.gz GBTIETWBCVISJV-SNVBAGLBSA-N 0 0 195.237 2.170 10 0 AEAERN Cc1ccc(C2(O)CCC2)s1 85754626 573142638 /nfs/dbraw/zinc/14/26/38/573142638.db2.gz ATTOSVOFWXYCIS-UHFFFAOYSA-N 0 0 168.261 2.428 10 0 AEAERN CC[C@@H]1OC(=O)N[C@H](C(C)C)[C@@H]1C 238289831 573142685 /nfs/dbraw/zinc/14/26/85/573142685.db2.gz VUFVJXIWKVUOJQ-HRDYMLBCSA-N 0 0 185.267 2.166 10 0 AEAERN NC(=O)Oc1cccc2sccc12 89195280 573142741 /nfs/dbraw/zinc/14/27/41/573142741.db2.gz HCSZTUSXANROFR-UHFFFAOYSA-N 0 0 193.227 2.359 10 0 AEAERN Cc1cnc(Cl)nc1NC1CCC1 85787884 573142756 /nfs/dbraw/zinc/14/27/56/573142756.db2.gz RCKSGHADRGWDQZ-UHFFFAOYSA-N 0 0 197.669 2.403 10 0 AEAERN OC1(Cc2cccc(F)c2F)CCC1 85754546 573142794 /nfs/dbraw/zinc/14/27/94/573142794.db2.gz HACSCURXACAUIZ-UHFFFAOYSA-N 0 0 198.212 2.422 10 0 AEAERN CCC(CC)OCC(=O)OC(C)C 218870089 573142845 /nfs/dbraw/zinc/14/28/45/573142845.db2.gz IWZBOWTYVKKECD-UHFFFAOYSA-N 0 0 188.267 2.143 10 0 AEAERN CC[C@H]1CCCC[C@H]1C(N)=S 82657729 573142850 /nfs/dbraw/zinc/14/28/50/573142850.db2.gz JNAAVHRBPMJXME-JGVFFNPUSA-N 0 0 171.309 2.489 10 0 AEAERN Cc1cnc(Cl)nc1N[C@@H]1C[C@@H]1C 85787893 573143323 /nfs/dbraw/zinc/14/33/23/573143323.db2.gz SAAQSKBYZIMZOY-CAHLUQPWSA-N 0 0 197.669 2.259 10 0 AEAERN CC[C@@H]1CCCC[C@H]1n1cncn1 82659169 573142891 /nfs/dbraw/zinc/14/28/91/573142891.db2.gz NAOHZLAXVJTCQX-NXEZZACHSA-N 0 0 179.267 2.419 10 0 AEAERN Cc1ccc(C[C@@H](C)NN)c(Cl)c1 235496065 573142942 /nfs/dbraw/zinc/14/29/42/573142942.db2.gz JKDUNDNYHSJNOY-MRVPVSSYSA-N 0 0 198.697 2.043 10 0 AEAERN CCC[C@@H](C)[C@@H](O)c1cnc(C)n1C 308503810 573142953 /nfs/dbraw/zinc/14/29/53/573142953.db2.gz XUTHFXMMETXSOL-LDYMZIIASA-N 0 0 196.294 2.198 10 0 AEAERN Cc1cnc(Cl)nc1N[C@H]1C[C@@H]1C 85787895 573143000 /nfs/dbraw/zinc/14/30/00/573143000.db2.gz SAAQSKBYZIMZOY-FSPLSTOPSA-N 0 0 197.669 2.259 10 0 AEAERN OCC=C(C(F)(F)F)C(F)(F)F 197001598 573143091 /nfs/dbraw/zinc/14/30/91/573143091.db2.gz MJCNYCLUGJCQIB-UHFFFAOYSA-N 0 0 194.074 2.030 10 0 AEAERN C[C@](N)(F)C1=CCCCC1 258548560 573143122 /nfs/dbraw/zinc/14/31/22/573143122.db2.gz PFQHKGODLMQJNO-MRVPVSSYSA-N 0 0 143.205 2.131 10 0 AEAERN CCCC[C@H](C)Nc1ncc(N)cn1 50887172 573143159 /nfs/dbraw/zinc/14/31/59/573143159.db2.gz RQNVRAANYDIOHA-QMMMGPOBSA-N 0 0 194.282 2.049 10 0 AEAERN CC(C)c1[nH]c(=O)[nH]c1C1CC1 258537694 573143189 /nfs/dbraw/zinc/14/31/89/573143189.db2.gz OETIUCHQGXUWAU-UHFFFAOYSA-N 0 0 166.224 2.116 10 0 AEAERN CCN1C[C@@H](C)Nc2c(O)cccc21 259342834 573143226 /nfs/dbraw/zinc/14/32/26/573143226.db2.gz TYXAYIHJAUJHPC-MRVPVSSYSA-N 0 0 192.262 2.033 10 0 AEAERN C[C@H]1C[C@@H]1CN(C)c1cccc(N)c1 82648236 573143255 /nfs/dbraw/zinc/14/32/55/573143255.db2.gz KXCHKFXJAVOFKG-VHSXEESVSA-N 0 0 190.290 2.361 10 0 AEAERN COc1ccc(C2(O)CCC2)c(C)c1 85754358 573143302 /nfs/dbraw/zinc/14/33/02/573143302.db2.gz CXXCVPWKQIRGJP-UHFFFAOYSA-N 0 0 192.258 2.375 10 0 AEAERN Cc1noc(NC[C@@H](C)C(C)(C)C)n1 235487643 573143324 /nfs/dbraw/zinc/14/33/24/573143324.db2.gz IBLJBPNSYNRLDV-SSDOTTSWSA-N 0 0 197.282 2.472 10 0 AEAERN CC(C)OCC[C@H](CO)C(C)(C)C 162440242 573143329 /nfs/dbraw/zinc/14/33/29/573143329.db2.gz DABVIEKDNQBTQJ-SNVBAGLBSA-N 0 0 188.311 2.456 10 0 AEAERN CC[C@H]1CCC/C1=C\CO 238289887 573143437 /nfs/dbraw/zinc/14/34/37/573143437.db2.gz IUSIXFJLJKMKMN-CYXIBPNKSA-N 0 0 140.226 2.115 10 0 AEAERN CSC1CC(O)(CC2CC2)C1 642853101 573143450 /nfs/dbraw/zinc/14/34/50/573143450.db2.gz JVXKTYUDELGQHQ-UHFFFAOYSA-N 0 0 172.293 2.043 10 0 AEAERN COCCc1ccc(N)c(Cl)c1 114987851 573143477 /nfs/dbraw/zinc/14/34/77/573143477.db2.gz ADPIFIOOJUEXFM-UHFFFAOYSA-N 0 0 185.654 2.111 10 0 AEAERN CCCCCc1coc(NC)n1 258550411 573143524 /nfs/dbraw/zinc/14/35/24/573143524.db2.gz JBSRNSAARWGUSP-UHFFFAOYSA-N 0 0 168.240 2.449 10 0 AEAERN CCCc1nc(C=O)c(C)s1 258548370 573143547 /nfs/dbraw/zinc/14/35/47/573143547.db2.gz IXRVFCFUDUBNMP-UHFFFAOYSA-N 0 0 169.249 2.217 10 0 AEAERN COc1ccc(C2(Cl)COC2)cc1 258547270 573144381 /nfs/dbraw/zinc/14/43/81/573144381.db2.gz KHQGWNNZCKJXFY-UHFFFAOYSA-N 0 0 198.649 2.160 10 0 AEAERN CC[C@@H]1CCCC[C@@H]1n1cncn1 82659161 573143650 /nfs/dbraw/zinc/14/36/50/573143650.db2.gz NAOHZLAXVJTCQX-ZJUUUORDSA-N 0 0 179.267 2.419 10 0 AEAERN CCCN(C)c1nc(Cl)ncc1C 85786972 573143656 /nfs/dbraw/zinc/14/36/56/573143656.db2.gz LODDHVMQLNHJNU-UHFFFAOYSA-N 0 0 199.685 2.285 10 0 AEAERN CC(C)n1c(Cl)cnc1N(C)C 258537411 573143677 /nfs/dbraw/zinc/14/36/77/573143677.db2.gz NDHUEXBDMXZZQL-UHFFFAOYSA-N 0 0 187.674 2.183 10 0 AEAERN Cc1cnc(Cl)nc1OCC1CC1 85786380 573143692 /nfs/dbraw/zinc/14/36/92/573143692.db2.gz NWQYKIXXKSSIPS-UHFFFAOYSA-N 0 0 198.653 2.227 10 0 AEAERN OC1(Cc2cc(F)ccc2F)CCC1 85754428 573143730 /nfs/dbraw/zinc/14/37/30/573143730.db2.gz YAJYXQQEAFBRNC-UHFFFAOYSA-N 0 0 198.212 2.422 10 0 AEAERN CC[C@@H](C)CC1(O)CCC1 85754391 573143757 /nfs/dbraw/zinc/14/37/57/573143757.db2.gz WJRIYWPOWCUZLF-MRVPVSSYSA-N 0 0 142.242 2.338 10 0 AEAERN CCc1c(C)ccc2[nH]cnc12 238290901 573143768 /nfs/dbraw/zinc/14/37/68/573143768.db2.gz WFDWDBYXXYIBBZ-UHFFFAOYSA-N 0 0 160.220 2.434 10 0 AEAERN Cc1ccc2c(c1)N(C)C1(CC1)CN2 259342694 573143796 /nfs/dbraw/zinc/14/37/96/573143796.db2.gz TVWBYDZZYKYDRT-UHFFFAOYSA-N 0 0 188.274 2.389 10 0 AEAERN C[C@@H](O)C(F)(F)CC1CCC1 258537422 573144451 /nfs/dbraw/zinc/14/44/51/573144451.db2.gz NZTCNEZCTUTSPJ-ZCFIWIBFSA-N 0 0 164.195 2.193 10 0 AEAERN Cc1cc(C)c2ccnc(N)c2c1 123720009 573143845 /nfs/dbraw/zinc/14/38/45/573143845.db2.gz BASNVADLARVJKE-UHFFFAOYSA-N 0 0 172.231 2.434 10 0 AEAERN C[C@@H]1C[C@@H]1CN(C)c1cccc(N)c1 82648235 573143892 /nfs/dbraw/zinc/14/38/92/573143892.db2.gz KXCHKFXJAVOFKG-NXEZZACHSA-N 0 0 190.290 2.361 10 0 AEAERN C/C=C/[C@](O)(C(C)C)C1CC1 642853138 573143919 /nfs/dbraw/zinc/14/39/19/573143919.db2.gz MDZVSPXELIXOPU-QBBOHKLWSA-N 0 0 154.253 2.360 10 0 AEAERN OC1(c2c(F)cccc2F)CCC1 85754515 573144453 /nfs/dbraw/zinc/14/44/53/573144453.db2.gz IABPSSJIZOJVSM-UHFFFAOYSA-N 0 0 184.185 2.336 10 0 AEAERN CC(=O)CNc1ccccc1Cl 114962604 573144033 /nfs/dbraw/zinc/14/40/33/573144033.db2.gz SVBBGUSPTWMRAG-UHFFFAOYSA-N 0 0 183.638 2.341 10 0 AEAERN Cc1cnc(Cl)nc1N[C@H]1C[C@H]1C 85787900 573144136 /nfs/dbraw/zinc/14/41/36/573144136.db2.gz SAAQSKBYZIMZOY-VDTYLAMSSA-N 0 0 197.669 2.259 10 0 AEAERN Nc1cccc2c1SCCCN2 259346243 573144179 /nfs/dbraw/zinc/14/41/79/573144179.db2.gz UCOQNTYSJVIYFH-UHFFFAOYSA-N 0 0 180.276 2.177 10 0 AEAERN CC(C)[C@@H](C)c1cc(CCCO)on1 308502761 573144270 /nfs/dbraw/zinc/14/42/70/573144270.db2.gz BEGNFVSOKRIFFR-SECBINFHSA-N 0 0 197.278 2.359 10 0 AEAERN CCCC[C@@H](C)Nc1ncc(N)cn1 50887171 573144300 /nfs/dbraw/zinc/14/43/00/573144300.db2.gz RQNVRAANYDIOHA-MRVPVSSYSA-N 0 0 194.282 2.049 10 0 AEAERN CC(C)CC[C@@](C)(O)c1cnccn1 308502735 573144321 /nfs/dbraw/zinc/14/43/21/573144321.db2.gz XGTXLCUAHLPMQI-LLVKDONJSA-N 0 0 194.278 2.120 10 0 AEAERN Cc1cnc(Cl)nc1OC1CCC1 85786597 573144346 /nfs/dbraw/zinc/14/43/46/573144346.db2.gz WWYRBFYAVUYVOF-UHFFFAOYSA-N 0 0 198.653 2.370 10 0 AEAERN Cc1cnc(Cl)nc1NCC1CC1 85786857 573144358 /nfs/dbraw/zinc/14/43/58/573144358.db2.gz VSQPXROHQIDBPO-UHFFFAOYSA-N 0 0 197.669 2.260 10 0 AEAERN C[C@H](O)C(F)(F)CC1CCC1 258537420 573144483 /nfs/dbraw/zinc/14/44/83/573144483.db2.gz NZTCNEZCTUTSPJ-LURJTMIESA-N 0 0 164.195 2.193 10 0 AEAERN C[C@@H]1C[C@H]1CN(C)c1cccc(N)c1 82648237 573144848 /nfs/dbraw/zinc/14/48/48/573144848.db2.gz KXCHKFXJAVOFKG-ZJUUUORDSA-N 0 0 190.290 2.361 10 0 AEAERN CCC[C@H](C)[C@H](O)c1cnc(C)n1C 308503809 573144514 /nfs/dbraw/zinc/14/45/14/573144514.db2.gz XUTHFXMMETXSOL-KWQFWETISA-N 0 0 196.294 2.198 10 0 AEAERN CCc1c(C)cc(C(=O)OC)nc1C 238290123 573144577 /nfs/dbraw/zinc/14/45/77/573144577.db2.gz AOFZLEGJGVBCQH-UHFFFAOYSA-N 0 0 193.246 2.047 10 0 AEAERN C[C@@H]1C[C@H]1CN(C)c1ccccc1N 82648065 573144608 /nfs/dbraw/zinc/14/46/08/573144608.db2.gz ZNLZJEZJSPTEKC-ZJUUUORDSA-N 0 0 190.290 2.361 10 0 AEAERN C1=C2[C@H](CC1)O[C@H]1CCC[C@H]21 223909410 573144618 /nfs/dbraw/zinc/14/46/18/573144618.db2.gz VVQCNPZMUJVYNW-UTLUCORTSA-N 0 0 150.221 2.274 10 0 AEAERN C[C@H]1C[C@@H]1CN(C)c1cccc(F)n1 82651486 573144692 /nfs/dbraw/zinc/14/46/92/573144692.db2.gz NYYNISQPRLPTQI-DTWKUNHWSA-N 0 0 194.253 2.313 10 0 AEAERN CCN(CC)c1nc(Cl)ncc1C 85786745 573144744 /nfs/dbraw/zinc/14/47/44/573144744.db2.gz VGIFISWUZULBLA-UHFFFAOYSA-N 0 0 199.685 2.285 10 0 AEAERN CC(C)[C@H](O)c1n[nH]c2ccccc12 89196198 573144803 /nfs/dbraw/zinc/14/48/03/573144803.db2.gz IHBRMUDXJZCKKB-NSHDSACASA-N 0 0 190.246 2.252 10 0 AEAERN CO[C@@H]1Cc2ccc(F)cc21 258550282 573144787 /nfs/dbraw/zinc/14/47/87/573144787.db2.gz PHEOJPCLCVCXLY-SECBINFHSA-N 0 0 152.168 2.069 10 0 AEAERN Cc1nc(N)oc1Cc1ccccc1 258550425 573144791 /nfs/dbraw/zinc/14/47/91/573144791.db2.gz JBZNNSMPMDZTLT-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN C[C@H]1C[C@H]1CN(C)c1cccc(F)n1 82651488 573145004 /nfs/dbraw/zinc/14/50/04/573145004.db2.gz NYYNISQPRLPTQI-IUCAKERBSA-N 0 0 194.253 2.313 10 0 AEAERN COC(=S)/C=C\c1ccco1 212261562 573145494 /nfs/dbraw/zinc/14/54/94/573145494.db2.gz TYXSBILVEARQOJ-PLNGDYQASA-N 0 0 168.217 2.267 10 0 AEAERN Cn1c(-c2ccncc2)cnc1Cl 258546718 573145094 /nfs/dbraw/zinc/14/50/94/573145094.db2.gz OCCRRBRBNVRVAK-UHFFFAOYSA-N 0 0 193.637 2.136 10 0 AEAERN CNc1nc(C)c(-c2cccnc2)o1 258548243 573145071 /nfs/dbraw/zinc/14/50/71/573145071.db2.gz IWKCUMZBRVRGOI-UHFFFAOYSA-N 0 0 189.218 2.087 10 0 AEAERN CCSCCN(C)c1ccccn1 308281753 573145098 /nfs/dbraw/zinc/14/50/98/573145098.db2.gz YAVHEQIDMKYGTP-UHFFFAOYSA-N 0 0 196.319 2.271 10 0 AEAERN C[C@@H]1C[C@@H]1CN(C)c1ccccc1N 82648063 573145123 /nfs/dbraw/zinc/14/51/23/573145123.db2.gz ZNLZJEZJSPTEKC-NXEZZACHSA-N 0 0 190.290 2.361 10 0 AEAERN CCc1c(C)cccc1C(N)=S 238291131 573145145 /nfs/dbraw/zinc/14/51/45/573145145.db2.gz TYYBFYOKAIRCNY-UHFFFAOYSA-N 0 0 179.288 2.192 10 0 AEAERN OC1(Cc2ccc(F)cc2F)CCC1 85754633 573145200 /nfs/dbraw/zinc/14/52/00/573145200.db2.gz RBQJYJXDGPJAFE-UHFFFAOYSA-N 0 0 198.212 2.422 10 0 AEAERN OC1(c2cc(F)ccc2F)CCC1 85754578 573145252 /nfs/dbraw/zinc/14/52/52/573145252.db2.gz DSGKIPUJODZZSW-UHFFFAOYSA-N 0 0 184.185 2.336 10 0 AEAERN CC(C)/C(=C\C1(C)CC1)CO 642828402 573145313 /nfs/dbraw/zinc/14/53/13/573145313.db2.gz RNNWLBHAQCJCQL-TWGQIWQCSA-N 0 0 154.253 2.361 10 0 AEAERN CCS[C@H](CO)c1ccco1 238291083 573145363 /nfs/dbraw/zinc/14/53/63/573145363.db2.gz NNJLYDQRPLBNBN-MRVPVSSYSA-N 0 0 172.249 2.066 10 0 AEAERN C[C@@H]1C[C@@H]1CN(C)c1cccc(F)n1 82651485 573145427 /nfs/dbraw/zinc/14/54/27/573145427.db2.gz NYYNISQPRLPTQI-RKDXNWHRSA-N 0 0 194.253 2.313 10 0 AEAERN Nc1nccc2c(F)cc(F)cc12 123720173 573145595 /nfs/dbraw/zinc/14/55/95/573145595.db2.gz HHLVBYYQGNDNIJ-UHFFFAOYSA-N 0 0 180.157 2.095 10 0 AEAERN Cc1cnc(Cl)nc1N(C)C1CC1 85786945 573145673 /nfs/dbraw/zinc/14/56/73/573145673.db2.gz KRXHMBCBMOFKIX-UHFFFAOYSA-N 0 0 197.669 2.037 10 0 AEAERN Cc1cc(F)ccc1-n1cccn1 82651011 573145683 /nfs/dbraw/zinc/14/56/83/573145683.db2.gz WXSYJHJPNQYLDB-UHFFFAOYSA-N 0 0 176.194 2.320 10 0 AEAERN CC[C@H]1CCCC[C@@H]1C(N)=S 82657727 573145740 /nfs/dbraw/zinc/14/57/40/573145740.db2.gz JNAAVHRBPMJXME-YUMQZZPRSA-N 0 0 171.309 2.489 10 0 AEAERN CC[C@@H]1OCc2ncnc(Cl)c21 238291090 573145772 /nfs/dbraw/zinc/14/57/72/573145772.db2.gz FDEGUJSJNOSZQL-LURJTMIESA-N 0 0 184.626 2.111 10 0 AEAERN CCc1c(C)cc(C(C)=O)nc1C 238290189 573145882 /nfs/dbraw/zinc/14/58/82/573145882.db2.gz BIMTYISVMMLAKY-UHFFFAOYSA-N 0 0 177.247 2.463 10 0 AEAERN Clc1c[nH]c(NC2CCCC2)n1 258541842 573145980 /nfs/dbraw/zinc/14/59/80/573145980.db2.gz NNWDFLWWCLNOCR-UHFFFAOYSA-N 0 0 185.658 2.418 10 0 AEAERN CC[C@@H]1CCCC[C@H]1C(N)=S 82657728 573145984 /nfs/dbraw/zinc/14/59/84/573145984.db2.gz JNAAVHRBPMJXME-HTQZYQBOSA-N 0 0 171.309 2.489 10 0 AEAERN CCn1c(C2CC2)cnc1Cl 258539823 573146011 /nfs/dbraw/zinc/14/60/11/573146011.db2.gz NJKJGIUTLPSIRS-UHFFFAOYSA-N 0 0 170.643 2.434 10 0 AEAERN CCSc1cccc(C=O)c1O 114968014 573146016 /nfs/dbraw/zinc/14/60/16/573146016.db2.gz WTDCIRHBOYWWFB-UHFFFAOYSA-N 0 0 182.244 2.317 10 0 AEAERN CCOC(=O)Nc1ncc(C)cc1C 238289958 573146020 /nfs/dbraw/zinc/14/60/20/573146020.db2.gz KVJDRLDCBGKNCU-UHFFFAOYSA-N 0 0 194.234 2.267 10 0 AEAERN CC(C)[C@@H](CO)c1cccc(O)c1 225355510 573146063 /nfs/dbraw/zinc/14/60/63/573146063.db2.gz ITBAIHYGKNPTPZ-LLVKDONJSA-N 0 0 180.247 2.124 10 0 AEAERN c1cn(-c2ccc3c(c2)CCCN3)cn1 82655810 573146585 /nfs/dbraw/zinc/14/65/85/573146585.db2.gz QUXJIZZQFZSELX-UHFFFAOYSA-N 0 0 199.257 2.230 10 0 AEAERN CCn1c(C)nc2cc(O)c(F)cc21 238289946 573146093 /nfs/dbraw/zinc/14/60/93/573146093.db2.gz JASXLVMKQYFTKN-UHFFFAOYSA-N 0 0 194.209 2.209 10 0 AEAERN CCOc1cnc(C2CCC2)o1 258541603 573146150 /nfs/dbraw/zinc/14/61/50/573146150.db2.gz HCTRJGZMOFDKLU-UHFFFAOYSA-N 0 0 167.208 2.341 10 0 AEAERN CC(C)CC[C@](C)(O)c1cnccn1 308502737 573146250 /nfs/dbraw/zinc/14/62/50/573146250.db2.gz XGTXLCUAHLPMQI-NSHDSACASA-N 0 0 194.278 2.120 10 0 AEAERN C[C@H]1C[C@H]1CN(C)c1cccc(N)c1 82648238 573146251 /nfs/dbraw/zinc/14/62/51/573146251.db2.gz KXCHKFXJAVOFKG-UWVGGRQHSA-N 0 0 190.290 2.361 10 0 AEAERN CC(=O)c1cc2c(cc1O)OCS2 114992400 573146451 /nfs/dbraw/zinc/14/64/51/573146451.db2.gz ZPMRVVKTSVORRU-UHFFFAOYSA-N 0 0 196.227 2.037 10 0 AEAERN CC[C@H]1CCCC[C@@H]1n1cncn1 82659167 573146460 /nfs/dbraw/zinc/14/64/60/573146460.db2.gz NAOHZLAXVJTCQX-UWVGGRQHSA-N 0 0 179.267 2.419 10 0 AEAERN C=C=C[C@@H](SCC)C(C)=O 238290787 573146500 /nfs/dbraw/zinc/14/65/00/573146500.db2.gz LZBWWTDCLQPMDO-MRVPVSSYSA-N 0 0 156.250 2.038 10 0 AEAERN CCc1c(C)ccc2c1OCO2 238290783 573146505 /nfs/dbraw/zinc/14/65/05/573146505.db2.gz CPZXGHSVIWMOTH-UHFFFAOYSA-N 0 0 164.204 2.286 10 0 AEAERN CCc1c(C)cc(C=O)nc1C 238290388 573147086 /nfs/dbraw/zinc/14/70/86/573147086.db2.gz WAUDOWLARYOINK-UHFFFAOYSA-N 0 0 163.220 2.073 10 0 AEAERN CC1(COC(=O)/C=C/C2CC2)CC1 308288400 573147156 /nfs/dbraw/zinc/14/71/56/573147156.db2.gz FLMGNEOGDZBJFU-SNAWJCMRSA-N 0 0 180.247 2.296 10 0 AEAERN C=Cc1cncc(Cl)c1 114980686 573147166 /nfs/dbraw/zinc/14/71/66/573147166.db2.gz PUFDANZJXBEJAP-UHFFFAOYSA-N 0 0 139.585 2.378 10 0 AEAERN CCCc1ccc(F)cn1 114981033 573147208 /nfs/dbraw/zinc/14/72/08/573147208.db2.gz AZIXCKRWZMOMIS-UHFFFAOYSA-N 0 0 139.173 2.173 10 0 AEAERN CCc1c(C)cc(CO)cc1C 238290485 573147209 /nfs/dbraw/zinc/14/72/09/573147209.db2.gz JTQLIZLKYYPKSB-UHFFFAOYSA-N 0 0 164.248 2.358 10 0 AEAERN COC(=O)c1ccc(C)c(Cl)c1N 85791219 573147278 /nfs/dbraw/zinc/14/72/78/573147278.db2.gz CBYYLCAIBDMWQN-UHFFFAOYSA-N 0 0 199.637 2.017 10 0 AEAERN CC[C@@H]1OCc2cc(O)ccc21 238291073 573147302 /nfs/dbraw/zinc/14/73/02/573147302.db2.gz CLBLRETZQCZOIE-JTQLQIEISA-N 0 0 164.204 2.374 10 0 AEAERN CC[C@@H]1CCCC[C@H]1[C@]1(O)CCOC1 82658096 573147327 /nfs/dbraw/zinc/14/73/27/573147327.db2.gz RESQCSFYUVUQJW-UTUOFQBUSA-N 0 0 198.306 2.354 10 0 AEAERN CC(C)[C@H]([NH3+])c1nccc2[nH]ccc12 89220552 573147352 /nfs/dbraw/zinc/14/73/52/573147352.db2.gz ISYADXGFBDLDMZ-JTQLQIEISA-N 0 0 189.262 2.219 10 0 AEAERN CC[C@H](C)Sc1c(C)nn(C)c1N 238290192 573147353 /nfs/dbraw/zinc/14/73/53/573147353.db2.gz OERUTIFQIRJZEH-LURJTMIESA-N 0 0 199.323 2.201 10 0 AEAERN CC(=O)Cc1cc(C)cc(O)c1Cl 258236012 573147427 /nfs/dbraw/zinc/14/74/27/573147427.db2.gz WJEYSSJBTPILNI-UHFFFAOYSA-N 0 0 198.649 2.486 10 0 AEAERN CCOC(=O)Nc1nccc(C)c1C 238290011 573147486 /nfs/dbraw/zinc/14/74/86/573147486.db2.gz LDHODHRQTBEVCO-UHFFFAOYSA-N 0 0 194.234 2.267 10 0 AEAERN CCOC(=O)Nc1sccc1C=O 238290319 573147555 /nfs/dbraw/zinc/14/75/55/573147555.db2.gz SWXSLUMBVWGBRV-UHFFFAOYSA-N 0 0 199.231 2.129 10 0 AEAERN CCN1C[C@H](C)Nc2c(O)cccc21 259342835 573147563 /nfs/dbraw/zinc/14/75/63/573147563.db2.gz TYXAYIHJAUJHPC-QMMMGPOBSA-N 0 0 192.262 2.033 10 0 AEAERN CC[C@@]1(C)OC(=O)c2cc(N)ccc21 238291036 573147576 /nfs/dbraw/zinc/14/75/76/573147576.db2.gz HQVCSFMUTDSBAY-LLVKDONJSA-N 0 0 191.230 2.064 10 0 AEAERN c1occ2c1CCCC2 114965252 573147608 /nfs/dbraw/zinc/14/76/08/573147608.db2.gz QSNLUGGQSCKAME-UHFFFAOYSA-N 0 0 122.167 2.158 10 0 AEAERN CCc1ccc2c(c1F)OCO2 238289891 573147593 /nfs/dbraw/zinc/14/75/93/573147593.db2.gz COQJBAVHWFAIIL-UHFFFAOYSA-N 0 0 168.167 2.117 10 0 AEAERN CC1(C)C[C@H]1COC(=O)C1CCC1 308288218 573147710 /nfs/dbraw/zinc/14/77/10/573147710.db2.gz FKUUFGRDHFVQIY-VIFPVBQESA-N 0 0 182.263 2.376 10 0 AEAERN C/C=C\CCNC(=O)C1(C)CCC1 308287528 573147748 /nfs/dbraw/zinc/14/77/48/573147748.db2.gz FDWSVNVOBYHJIX-ARJAWSKDSA-N 0 0 181.279 2.259 10 0 AEAERN CC1CC(C(=O)OC[C@@H]2C[C@@H]2C)C1 308287486 573147816 /nfs/dbraw/zinc/14/78/16/573147816.db2.gz FCDSNEPJWGVRFE-LRHRNSLUSA-N 0 0 182.263 2.232 10 0 AEAERN CC[C@@H]1CCCC[C@@H]1[C@]1(O)CCOC1 82658094 573147897 /nfs/dbraw/zinc/14/78/97/573147897.db2.gz RESQCSFYUVUQJW-WOPDTQHZSA-N 0 0 198.306 2.354 10 0 AEAERN Cc1ccc(C(C)(C)O)c(N(C)C)c1 259346502 573147994 /nfs/dbraw/zinc/14/79/94/573147994.db2.gz GBVPUUFTSMPHLW-UHFFFAOYSA-N 0 0 193.290 2.288 10 0 AEAERN Clc1ncnnc1C1CCCC1 259343492 573148002 /nfs/dbraw/zinc/14/80/02/573148002.db2.gz VJJIZGLKKHCWRO-UHFFFAOYSA-N 0 0 183.642 2.183 10 0 AEAERN CCCCNc1nc(C2CC2)no1 308287308 573148003 /nfs/dbraw/zinc/14/80/03/573148003.db2.gz CKPLBCMUONKKOS-UHFFFAOYSA-N 0 0 181.239 2.159 10 0 AEAERN CC[C@@H]1CCCC[C@H]1C(=O)COC 82658247 573148032 /nfs/dbraw/zinc/14/80/32/573148032.db2.gz MVEZILQWBFEBDC-NXEZZACHSA-N 0 0 184.279 2.418 10 0 AEAERN C/C=C(C)/C=C/C(=O)N[C@@H]1C[C@H]1C 308288461 573148036 /nfs/dbraw/zinc/14/80/36/573148036.db2.gz FOZSBFNUNRXHPN-NGOQCDPHSA-N 0 0 179.263 2.033 10 0 AEAERN CCOC(=O)c1ccn2ccsc12 114972161 573148065 /nfs/dbraw/zinc/14/80/65/573148065.db2.gz VWVPXBPVZFLUER-UHFFFAOYSA-N 0 0 195.243 2.178 10 0 AEAERN CC(C)C(=O)C[C@H]1CC(C)(C)CO1 717163484 573148527 /nfs/dbraw/zinc/14/85/27/573148527.db2.gz VJDVZQYSFOSGCO-VIFPVBQESA-N 0 0 184.279 2.417 10 0 AEAERN C[C@H]1C[C@H]1CN(C)c1ccccc1N 82648066 573148615 /nfs/dbraw/zinc/14/86/15/573148615.db2.gz ZNLZJEZJSPTEKC-UWVGGRQHSA-N 0 0 190.290 2.361 10 0 AEAERN CC1CC(C(=O)OC[C@H]2C[C@@H]2C)C1 308287489 573148814 /nfs/dbraw/zinc/14/88/14/573148814.db2.gz FCDSNEPJWGVRFE-RVXWLBMTSA-N 0 0 182.263 2.232 10 0 AEAERN C[C@H](OC(=O)CC(C)(F)F)C1CC1 308287682 573148849 /nfs/dbraw/zinc/14/88/49/573148849.db2.gz ZTOQWNZQXYRRBT-LURJTMIESA-N 0 0 192.205 2.373 10 0 AEAERN COC(=O)c1cc(C)cc2cc[nH]c12 114976877 573148944 /nfs/dbraw/zinc/14/89/44/573148944.db2.gz LVGIUIWDMPTPJX-UHFFFAOYSA-N 0 0 189.214 2.263 10 0 AEAERN C[C@@H]1CCC[C@@H]1C(=O)OCC1CC1 308287847 573149047 /nfs/dbraw/zinc/14/90/47/573149047.db2.gz ZWIOFFDQQWAMPN-SCZZXKLOSA-N 0 0 182.263 2.376 10 0 AEAERN CCc1ccc2ccnc(N)c2c1 123727454 573149090 /nfs/dbraw/zinc/14/90/90/573149090.db2.gz FGVGCCJGNFVKKJ-UHFFFAOYSA-N 0 0 172.231 2.379 10 0 AEAERN C/C=C/C=C/C(=O)OCCC1CC1 308287522 573149097 /nfs/dbraw/zinc/14/90/97/573149097.db2.gz FDIZBWJBGZMINM-MQQKCMAXSA-N 0 0 180.247 2.462 10 0 AEAERN Fc1ccccc1Oc1cncnc1 258539125 573149101 /nfs/dbraw/zinc/14/91/01/573149101.db2.gz NZCZKDSBDOJIQA-UHFFFAOYSA-N 0 0 190.177 2.408 10 0 AEAERN Cc1nc(C2CCC(=O)CC2)[nH]c1C 258551937 573149167 /nfs/dbraw/zinc/14/91/67/573149167.db2.gz KWSUTARJZRSUOK-UHFFFAOYSA-N 0 0 192.262 2.253 10 0 AEAERN CCCCC[C@@H](C)CC(=O)N1CC1 308504893 573149176 /nfs/dbraw/zinc/14/91/76/573149176.db2.gz YQQQTXVDXAIPGF-SNVBAGLBSA-N 0 0 183.295 2.435 10 0 AEAERN CO/C=C\c1nc2ccccc2n1C 225297168 573149202 /nfs/dbraw/zinc/14/92/02/573149202.db2.gz BWPHKWHKLHFAQI-FPLPWBNLSA-N 0 0 188.230 2.190 10 0 AEAERN Cc1ncc(C2CCCC2)c(=O)[nH]1 258551256 573149222 /nfs/dbraw/zinc/14/92/22/573149222.db2.gz OJIDPOHFRXNUBW-UHFFFAOYSA-N 0 0 178.235 2.148 10 0 AEAERN CC[C@](C)(O)c1ccc(C=O)cc1 238291794 573149332 /nfs/dbraw/zinc/14/93/32/573149332.db2.gz XTYIZQBXYHQTRC-NSHDSACASA-N 0 0 178.231 2.117 10 0 AEAERN CC[C@@]1(C)Oc2ccccc2C1=O 238291242 573149414 /nfs/dbraw/zinc/14/94/14/573149414.db2.gz NBIPBGBYVSISAL-LLVKDONJSA-N 0 0 176.215 2.430 10 0 AEAERN C/C=C/C=C\C(=O)OCCC1CC1 308287521 573149418 /nfs/dbraw/zinc/14/94/18/573149418.db2.gz FDIZBWJBGZMINM-IAROGAJJSA-N 0 0 180.247 2.462 10 0 AEAERN Cn1c(-c2ccccn2)cnc1Cl 258539783 573149422 /nfs/dbraw/zinc/14/94/22/573149422.db2.gz NITFMUSILARZLE-UHFFFAOYSA-N 0 0 193.637 2.136 10 0 AEAERN CCOc1ccc(OC)cc1[S-] 238292058 573149428 /nfs/dbraw/zinc/14/94/28/573149428.db2.gz YWVNPAHWZVIARR-UHFFFAOYSA-N 0 0 184.260 2.383 10 0 AEAERN CC(C)C(=O)C[C@@H]1CC(C)(C)CO1 717163478 573149460 /nfs/dbraw/zinc/14/94/60/573149460.db2.gz VJDVZQYSFOSGCO-SECBINFHSA-N 0 0 184.279 2.417 10 0 AEAERN CCOc1cccc2c(N)nccc12 123726878 573149474 /nfs/dbraw/zinc/14/94/74/573149474.db2.gz SRKPGUUHXQMIQU-UHFFFAOYSA-N 0 0 188.230 2.216 10 0 AEAERN CC1(C)C[C@@H]1COC(=O)C1CCC1 308288215 573149572 /nfs/dbraw/zinc/14/95/72/573149572.db2.gz FKUUFGRDHFVQIY-SECBINFHSA-N 0 0 182.263 2.376 10 0 AEAERN CCC[C@@H]([NH3+])c1nccc2[nH]ccc12 89220565 573149579 /nfs/dbraw/zinc/14/95/79/573149579.db2.gz VXTSATDLSSBMKL-SECBINFHSA-N 0 0 189.262 2.363 10 0 AEAERN C=COc1cccc2c1OCC2 401946248 573149624 /nfs/dbraw/zinc/14/96/24/573149624.db2.gz OQIVJXKSSNDOBR-UHFFFAOYSA-N 0 0 162.188 2.144 10 0 AEAERN CCN1CCc2ccc([C@@H](C)O)cc21 257957090 573149651 /nfs/dbraw/zinc/14/96/51/573149651.db2.gz SGPVMLOCIMLHDQ-SECBINFHSA-N 0 0 191.274 2.122 10 0 AEAERN CC[C@@H](C)[C@@](C)(N)C(F)(F)F 82670853 573149709 /nfs/dbraw/zinc/14/97/09/573149709.db2.gz GBFNQIUXESTUFQ-PHDIDXHHSA-N 0 0 169.190 2.312 10 0 AEAERN O[C@H](c1cc[nH]c1)C(C1CC1)C1CC1 308505077 573149743 /nfs/dbraw/zinc/14/97/43/573149743.db2.gz YNBOCJAGUUZBLS-GFCCVEGCSA-N 0 0 191.274 2.484 10 0 AEAERN C/C=C(C)/C=C\C(=O)N[C@@H]1C[C@H]1C 308288459 573149745 /nfs/dbraw/zinc/14/97/45/573149745.db2.gz FOZSBFNUNRXHPN-CKICPHNXSA-N 0 0 179.263 2.033 10 0 AEAERN C[C@H]1CCCC[C@]1(N)C(F)(F)F 82670722 573149746 /nfs/dbraw/zinc/14/97/46/573149746.db2.gz CJSJJMKMVGYIFP-NKWVEPMBSA-N 0 0 181.201 2.456 10 0 AEAERN OCCC1CCC2(CC1)CC2 258539309 573149717 /nfs/dbraw/zinc/14/97/17/573149717.db2.gz OJBRAYHWJWKCNQ-UHFFFAOYSA-N 0 0 154.253 2.339 10 0 AEAERN Cc1ccccc1Cc1cnc(N)o1 258540573 573149770 /nfs/dbraw/zinc/14/97/70/573149770.db2.gz IBQMVLVVGSCDSA-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN C[C@H]1CCC[C@H]1C(=O)OCC1CC1 308287848 573149791 /nfs/dbraw/zinc/14/97/91/573149791.db2.gz ZWIOFFDQQWAMPN-WCBMZHEXSA-N 0 0 182.263 2.376 10 0 AEAERN CC1CC(C(=O)OC[C@H]2C[C@H]2C)C1 308287487 573149878 /nfs/dbraw/zinc/14/98/78/573149878.db2.gz FCDSNEPJWGVRFE-QLVNRRSVSA-N 0 0 182.263 2.232 10 0 AEAERN C/C=C/CCNC(=O)C1(C)CCC1 308287529 573149884 /nfs/dbraw/zinc/14/98/84/573149884.db2.gz FDWSVNVOBYHJIX-ONEGZZNKSA-N 0 0 181.279 2.259 10 0 AEAERN Cc1ccc([C@@](C)(N)C(F)(F)F)o1 82670561 573149963 /nfs/dbraw/zinc/14/99/63/573149963.db2.gz FSKARPYMDKHJLA-SSDOTTSWSA-N 0 0 193.168 2.324 10 0 AEAERN C[C@@H](CO)c1cnc(C(C)(C)C)o1 257957043 573150005 /nfs/dbraw/zinc/15/00/05/573150005.db2.gz GBNKEMXNGVITCK-ZETCQYMHSA-N 0 0 183.251 2.068 10 0 AEAERN CC[C@H](C)N(C(=O)C(F)F)C1CC1 308288014 573150011 /nfs/dbraw/zinc/15/00/11/573150011.db2.gz FGOQRVBJKIBBAT-LURJTMIESA-N 0 0 191.221 2.041 10 0 AEAERN CC(C)(C)CC(=O)c1cncnc1 82673591 573150044 /nfs/dbraw/zinc/15/00/44/573150044.db2.gz VVZVDTLBJVMGHO-UHFFFAOYSA-N 0 0 178.235 2.096 10 0 AEAERN CC(=O)C/C=C\c1ccc(O)cc1 212370599 573150057 /nfs/dbraw/zinc/15/00/57/573150057.db2.gz FUPASICGTRMSPX-RQOWECAXSA-N 0 0 176.215 2.385 10 0 AEAERN CC[C@H]([NH2+]Cc1ccccc1)C(C)=O 238291903 573150080 /nfs/dbraw/zinc/15/00/80/573150080.db2.gz SLOXIQUOGQSSPR-LBPRGKRZSA-N 0 0 191.274 2.144 10 0 AEAERN CC[C@@H](O)CC(C)(C)C 82673796 573150086 /nfs/dbraw/zinc/15/00/86/573150086.db2.gz NPZRPUOKIPAIEL-SSDOTTSWSA-N 0 0 130.231 2.194 10 0 AEAERN CC1CCC(N)(C(F)(F)F)CC1 82670595 573150407 /nfs/dbraw/zinc/15/04/07/573150407.db2.gz WKCZFLJCDBWBMM-UHFFFAOYSA-N 0 0 181.201 2.456 10 0 AEAERN CC[C@@H](C)c1nc(N)nc(C(C)C)n1 82664796 573150275 /nfs/dbraw/zinc/15/02/75/573150275.db2.gz UADQUUQULAUXGM-SSDOTTSWSA-N 0 0 194.282 2.091 10 0 AEAERN CC[C@@](N)(C(C)C)C(F)(F)F 82670715 573150306 /nfs/dbraw/zinc/15/03/06/573150306.db2.gz FCGXTGFHLSRAMO-ZCFIWIBFSA-N 0 0 169.190 2.312 10 0 AEAERN CC[C@]1(C)C(=O)[C@@H]2CC=C[C@@H]21 238291358 573150388 /nfs/dbraw/zinc/15/03/88/573150388.db2.gz JHVZWOWUTOIEMC-WEDXCCLWSA-N 0 0 150.221 2.178 10 0 AEAERN CC(C)[C@@H]([NH3+])c1nccc2[nH]ccc12 89220555 573150341 /nfs/dbraw/zinc/15/03/41/573150341.db2.gz ISYADXGFBDLDMZ-SNVBAGLBSA-N 0 0 189.262 2.219 10 0 AEAERN CNc1ccnc(CC(C)(C)C)n1 82674885 573150371 /nfs/dbraw/zinc/15/03/71/573150371.db2.gz LNJGGIOYTPXKLN-UHFFFAOYSA-N 0 0 179.267 2.107 10 0 AEAERN CS[C@H](/C=C\[C@@H](C)O)C(C)C 212362810 573150484 /nfs/dbraw/zinc/15/04/84/573150484.db2.gz CEWFIGYSOAOHIP-JJKLJZTJSA-N 0 0 174.309 2.311 10 0 AEAERN CCn1c(CSC)nnc1C(C)C 308287356 573150529 /nfs/dbraw/zinc/15/05/29/573150529.db2.gz CLONAVJAAICIOD-UHFFFAOYSA-N 0 0 199.323 2.284 10 0 AEAERN CC[C@]1(Cl)C(=O)[C@@H]2CC=C[C@@H]21 238292244 573150546 /nfs/dbraw/zinc/15/05/46/573150546.db2.gz KSAXLXNWOVDZTI-BKPPORCPSA-N 0 0 170.639 2.149 10 0 AEAERN COCC[C@H](C)[C@]1(O)CCC[C@H]2C[C@H]21 308505101 573150681 /nfs/dbraw/zinc/15/06/81/573150681.db2.gz YNSHBSWFZYTQFH-NNYUYHANSA-N 0 0 198.306 2.210 10 0 AEAERN COc1ccc2occc2c1O 258541973 573150804 /nfs/dbraw/zinc/15/08/04/573150804.db2.gz ONXOTWKFVOBTEG-UHFFFAOYSA-N 0 0 164.160 2.147 10 0 AEAERN CCO[C@H]1C(=O)C(C)(C)C1(C)C 238292501 573150778 /nfs/dbraw/zinc/15/07/78/573150778.db2.gz SMMMCYDINLOUID-QMMMGPOBSA-N 0 0 170.252 2.027 10 0 AEAERN CC[C@@H]1C[C@@H]1NC(=O)CC1(C)CC1 308503922 573151394 /nfs/dbraw/zinc/15/13/94/573151394.db2.gz YETGQGGJEZXDEE-BDAKNGLRSA-N 0 0 181.279 2.091 10 0 AEAERN CC[C@@]1(F)C(=O)Nc2ccccc21 238292256 573151398 /nfs/dbraw/zinc/15/13/98/573151398.db2.gz KIYUEPADFCVXRQ-JTQLQIEISA-N 0 0 179.194 2.214 10 0 AEAERN O[C@@H](c1cc[nH]c1)C(C1CC1)C1CC1 308505080 573151459 /nfs/dbraw/zinc/15/14/59/573151459.db2.gz YNBOCJAGUUZBLS-LBPRGKRZSA-N 0 0 191.274 2.484 10 0 AEAERN Cc1ccc([C@](C)(N)C(F)(F)F)o1 82670558 573151487 /nfs/dbraw/zinc/15/14/87/573151487.db2.gz FSKARPYMDKHJLA-ZETCQYMHSA-N 0 0 193.168 2.324 10 0 AEAERN CC(C)(C)Cc1noc(NC2CC2)n1 82674981 573151565 /nfs/dbraw/zinc/15/15/65/573151565.db2.gz HWTWNEBJMFIQRX-UHFFFAOYSA-N 0 0 195.266 2.233 10 0 AEAERN CC[C@]1(Cl)C(=O)[C@H]2CC=C[C@@H]21 238292233 573151593 /nfs/dbraw/zinc/15/15/93/573151593.db2.gz KSAXLXNWOVDZTI-ACLDMZEESA-N 0 0 170.639 2.149 10 0 AEAERN CCc1ccc(OC(F)F)cc1N 259346664 573151602 /nfs/dbraw/zinc/15/16/02/573151602.db2.gz HOBSPVYRACLQRI-UHFFFAOYSA-N 0 0 187.189 2.433 10 0 AEAERN C[C@@](N)(Cc1ccco1)C(F)(F)F 82670812 573152518 /nfs/dbraw/zinc/15/25/18/573152518.db2.gz LLDMDFDMRKCUSI-SSDOTTSWSA-N 0 0 193.168 2.102 10 0 AEAERN CC[C@@H](C)NC(=S)c1ccccn1 238292140 573151668 /nfs/dbraw/zinc/15/16/68/573151668.db2.gz SBSGRTASJUUGHV-MRVPVSSYSA-N 0 0 194.303 2.145 10 0 AEAERN C[C@@H]1CCC[C@@](N)(C(F)(F)F)C1 82670783 573151674 /nfs/dbraw/zinc/15/16/74/573151674.db2.gz HIJTVOIKMMTBQX-RQJHMYQMSA-N 0 0 181.201 2.456 10 0 AEAERN CC[C@@H](C)[C@](C)(N)C(F)(F)F 82670848 573151705 /nfs/dbraw/zinc/15/17/05/573151705.db2.gz GBFNQIUXESTUFQ-RITPCOANSA-N 0 0 169.190 2.312 10 0 AEAERN O[C@@H]1CCCC/C1=C/C(F)(F)F 215531128 573151744 /nfs/dbraw/zinc/15/17/44/573151744.db2.gz FJZIFZGQWYNLMN-KXTMECRCSA-N 0 0 180.169 2.410 10 0 AEAERN CCc1cc(N)nc(CC(C)(C)C)n1 82674861 573151807 /nfs/dbraw/zinc/15/18/07/573151807.db2.gz SABPJOYPYXREGQ-UHFFFAOYSA-N 0 0 193.294 2.210 10 0 AEAERN Nc1nccc2cc(F)c(F)c(F)c12 123722238 573151813 /nfs/dbraw/zinc/15/18/13/573151813.db2.gz UWLJMYSFLBLAQG-UHFFFAOYSA-N 0 0 198.147 2.234 10 0 AEAERN Nc1cccc(Cc2ccoc2)c1 115037153 573151884 /nfs/dbraw/zinc/15/18/84/573151884.db2.gz HOCSIJALASKSFA-UHFFFAOYSA-N 0 0 173.215 2.453 10 0 AEAERN CCN1CCc2ccc([C@H](C)O)cc21 257957094 573151951 /nfs/dbraw/zinc/15/19/51/573151951.db2.gz SGPVMLOCIMLHDQ-VIFPVBQESA-N 0 0 191.274 2.122 10 0 AEAERN CC(C)Cc1nc2n(n1)C[C@H](C)CC2 258554976 573151995 /nfs/dbraw/zinc/15/19/95/573151995.db2.gz TVUAIJYFQZFXOA-SECBINFHSA-N 0 0 193.294 2.059 10 0 AEAERN Cc1cc(F)cc2c(N)nccc12 123722059 573152022 /nfs/dbraw/zinc/15/20/22/573152022.db2.gz PRBZYVNAOIXTNJ-UHFFFAOYSA-N 0 0 176.194 2.265 10 0 AEAERN CSc1ccc(C(C)=O)c(O)c1 115049385 573152094 /nfs/dbraw/zinc/15/20/94/573152094.db2.gz YIVHYKOXMFSHNL-UHFFFAOYSA-N 0 0 182.244 2.317 10 0 AEAERN CC[C@](C)(O)c1ccc(C)cc1O 238291778 573152167 /nfs/dbraw/zinc/15/21/67/573152167.db2.gz YCKYEFHGZHZFIQ-NSHDSACASA-N 0 0 180.247 2.318 10 0 AEAERN CNc1cc(C)nc(CC(C)(C)C)n1 82674876 573152187 /nfs/dbraw/zinc/15/21/87/573152187.db2.gz IZUIUFKDYLPNMY-UHFFFAOYSA-N 0 0 193.294 2.415 10 0 AEAERN CCS[C@H]1NC(=O)c2ccccc21 238291912 573152197 /nfs/dbraw/zinc/15/21/97/573152197.db2.gz MMDKPFXHTYGOOS-SNVBAGLBSA-N 0 0 193.271 2.182 10 0 AEAERN CC[C@](N)(c1ccco1)C(F)(F)F 82670481 573152253 /nfs/dbraw/zinc/15/22/53/573152253.db2.gz OFWFMPRAEISVNW-ZETCQYMHSA-N 0 0 193.168 2.406 10 0 AEAERN CCc1c(C)ccn2c[nH+]cc12 238291931 573152267 /nfs/dbraw/zinc/15/22/67/573152267.db2.gz DXALMJIWUKJBGW-UHFFFAOYSA-N 0 0 160.220 2.205 10 0 AEAERN Nc1nccc2c(F)c(F)ccc12 123725938 573152301 /nfs/dbraw/zinc/15/23/01/573152301.db2.gz FVTMDUSLCHQVOE-UHFFFAOYSA-N 0 0 180.157 2.095 10 0 AEAERN Nc1cccc(O[C@H]2CCCCO2)c1 115058272 573152315 /nfs/dbraw/zinc/15/23/15/573152315.db2.gz PUIYOTXVEJMDEL-NSHDSACASA-N 0 0 193.246 2.174 10 0 AEAERN C[C@@H]1CCCC[C@]1(N)C(F)(F)F 82670720 573152329 /nfs/dbraw/zinc/15/23/29/573152329.db2.gz CJSJJMKMVGYIFP-RNFRBKRXSA-N 0 0 181.201 2.456 10 0 AEAERN CC(C)Cc1nc2n(n1)C[C@@H](C)CC2 258554978 573152402 /nfs/dbraw/zinc/15/24/02/573152402.db2.gz TVUAIJYFQZFXOA-VIFPVBQESA-N 0 0 193.294 2.059 10 0 AEAERN CCOc1ccc2ccnc(N)c2c1 123727192 573152431 /nfs/dbraw/zinc/15/24/31/573152431.db2.gz SFCZYCNVJUPRKR-UHFFFAOYSA-N 0 0 188.230 2.216 10 0 AEAERN Cc1ncsc1C(=O)OC(C)(C)C 82671131 573152440 /nfs/dbraw/zinc/15/24/40/573152440.db2.gz ASCYPACXEFJSPX-UHFFFAOYSA-N 0 0 199.275 2.407 10 0 AEAERN C[C@](N)(C1CCCC1)C(F)(F)F 82670579 573152474 /nfs/dbraw/zinc/15/24/74/573152474.db2.gz ZCCRUMVKOPAPON-ZETCQYMHSA-N 0 0 181.201 2.456 10 0 AEAERN CCOC(=O)C=C(C)Nc1ccco1 238291956 573152475 /nfs/dbraw/zinc/15/24/75/573152475.db2.gz JJTRJKBGQZVXNZ-FPLPWBNLSA-N 0 0 195.218 2.158 10 0 AEAERN CCOC(=O)c1cc2c([nH]1)C(C)=CC2 115011895 573152663 /nfs/dbraw/zinc/15/26/63/573152663.db2.gz UHRCUYPOFMOITI-UHFFFAOYSA-N 0 0 191.230 2.151 10 0 AEAERN CCCOCCC(=O)OC(C)(C)C 82671050 573152747 /nfs/dbraw/zinc/15/27/47/573152747.db2.gz QEXOACHKPFDTCZ-UHFFFAOYSA-N 0 0 188.267 2.145 10 0 AEAERN C[C@]1(C2CCCC2)COC(=O)C1 258554433 573152767 /nfs/dbraw/zinc/15/27/67/573152767.db2.gz PSAZBSMFPNFXGQ-SNVBAGLBSA-N 0 0 168.236 2.130 10 0 AEAERN CCNc1cncc(SCC)n1 82666556 573152892 /nfs/dbraw/zinc/15/28/92/573152892.db2.gz CBLJVUVFHJPKDD-UHFFFAOYSA-N 0 0 183.280 2.020 10 0 AEAERN CC(C)Nc1nc(CC(C)(C)C)no1 82674978 573153047 /nfs/dbraw/zinc/15/30/47/573153047.db2.gz MWZQJCWMKFWZDN-UHFFFAOYSA-N 0 0 197.282 2.479 10 0 AEAERN Cc1cccc(C(=O)CN(C)C)c1C 85792946 573153079 /nfs/dbraw/zinc/15/30/79/573153079.db2.gz IJAQSDHZAAIAAP-UHFFFAOYSA-N 0 0 191.274 2.048 10 0 AEAERN CC[C@H](C)[C@](C)(N)C(F)(F)F 82670850 573153125 /nfs/dbraw/zinc/15/31/25/573153125.db2.gz GBFNQIUXESTUFQ-WDSKDSINSA-N 0 0 169.190 2.312 10 0 AEAERN Nc1cccc(Cc2ccco2)c1 115035936 573153206 /nfs/dbraw/zinc/15/32/06/573153206.db2.gz YXFXZUYNNHIZQC-UHFFFAOYSA-N 0 0 173.215 2.453 10 0 AEAERN C[C@](N)(Cc1ccco1)C(F)(F)F 82670814 573153259 /nfs/dbraw/zinc/15/32/59/573153259.db2.gz LLDMDFDMRKCUSI-ZETCQYMHSA-N 0 0 193.168 2.102 10 0 AEAERN CC(C)(O)c1cccc2ncoc12 257954104 573153287 /nfs/dbraw/zinc/15/32/87/573153287.db2.gz GBVUEEOMAKZYML-UHFFFAOYSA-N 0 0 177.203 2.055 10 0 AEAERN CCc1ccc2c(=O)cc[nH]c2c1C 238291511 573153390 /nfs/dbraw/zinc/15/33/90/573153390.db2.gz OWUKTTJOWAJCJI-UHFFFAOYSA-N 0 0 187.242 2.399 10 0 AEAERN CC[C@@H]1O[C@H](C)[C@@H](C)[C@@H]1F 238292159 573153957 /nfs/dbraw/zinc/15/39/57/573153957.db2.gz DYJQZCGVKXZOBX-NGJRWZKOSA-N 0 0 146.205 2.158 10 0 AEAERN CC[C@H](O)CC(C)(C)C 82673795 573153462 /nfs/dbraw/zinc/15/34/62/573153462.db2.gz NPZRPUOKIPAIEL-ZETCQYMHSA-N 0 0 130.231 2.194 10 0 AEAERN Cc1cc([C@H](O)CC(C)C)c(C)o1 642854085 573153487 /nfs/dbraw/zinc/15/34/87/573153487.db2.gz KQYSSZUPRQOJFH-LLVKDONJSA-N 0 0 181.255 2.405 10 0 AEAERN c1cnnc(SCOC2CCC2)c1 308283178 573153492 /nfs/dbraw/zinc/15/34/92/573153492.db2.gz YTQSZALCSOZWOW-UHFFFAOYSA-N 0 0 196.275 2.095 10 0 AEAERN CCC(CC)[C@H](N)C(F)(F)F 82670904 573153498 /nfs/dbraw/zinc/15/34/98/573153498.db2.gz IHHJBNBNTPUTKF-LURJTMIESA-N 0 0 169.190 2.312 10 0 AEAERN CCNc1nc(CC(C)(C)C)no1 82674974 573153531 /nfs/dbraw/zinc/15/35/31/573153531.db2.gz WMMCXEGENVJCQY-UHFFFAOYSA-N 0 0 183.255 2.090 10 0 AEAERN C/C=C\c1c(OC)ccc(OC)c1O 212376615 573153564 /nfs/dbraw/zinc/15/35/64/573153564.db2.gz KFQFUGDETTUDGY-PLNGDYQASA-N 0 0 194.230 2.443 10 0 AEAERN CNCC(F)(F)CCC(C)C 258542368 573153613 /nfs/dbraw/zinc/15/36/13/573153613.db2.gz OPGDCADOUBEMRK-UHFFFAOYSA-N 0 0 165.227 2.277 10 0 AEAERN OC[C@@H](CC1COC1)C1CCCCC1 258552676 573153633 /nfs/dbraw/zinc/15/36/33/573153633.db2.gz JJLPXPLZFSCUAM-GFCCVEGCSA-N 0 0 198.306 2.212 10 0 AEAERN Cc1sc(=O)[nH]c1C1CCC1 258554500 573153654 /nfs/dbraw/zinc/15/36/54/573153654.db2.gz PTYDVZPMUYGQPN-UHFFFAOYSA-N 0 0 169.249 2.425 10 0 AEAERN CCC(CC)[C@@H](N)C(F)(F)F 82670906 573153680 /nfs/dbraw/zinc/15/36/80/573153680.db2.gz IHHJBNBNTPUTKF-ZCFIWIBFSA-N 0 0 169.190 2.312 10 0 AEAERN CCC[C@@H](C)[C@H](N)C(F)(F)F 82670730 573153697 /nfs/dbraw/zinc/15/36/97/573153697.db2.gz MRPDNHPCOXLCBA-RITPCOANSA-N 0 0 169.190 2.312 10 0 AEAERN CC[C@H](C)[C@@](C)(N)C(F)(F)F 82670855 573153944 /nfs/dbraw/zinc/15/39/44/573153944.db2.gz GBFNQIUXESTUFQ-NTSWFWBYSA-N 0 0 169.190 2.312 10 0 AEAERN CC1CC(C(=O)OCCC2CC2)C1 308282574 573153950 /nfs/dbraw/zinc/15/39/50/573153950.db2.gz XOWPCVOWRCEJIA-UHFFFAOYSA-N 0 0 182.263 2.376 10 0 AEAERN CCc1ccc2cc(CO)oc2c1 238292347 573153967 /nfs/dbraw/zinc/15/39/67/573153967.db2.gz MVIBVSXDQPGDFF-UHFFFAOYSA-N 0 0 176.215 2.488 10 0 AEAERN CCc1noc2c(N)cc(C)cc12 238292806 573153973 /nfs/dbraw/zinc/15/39/73/573153973.db2.gz NBTSMCOQFMUYJL-UHFFFAOYSA-N 0 0 176.219 2.281 10 0 AEAERN O=Cc1c(O)cc([O-])c2ccccc12 115004262 573154028 /nfs/dbraw/zinc/15/40/28/573154028.db2.gz MFYFZAYWFVCZES-UHFFFAOYSA-N 0 0 188.182 2.064 10 0 AEAERN CC(C)(C)CC(=O)[C@H]1CCOC1 82673606 573154031 /nfs/dbraw/zinc/15/40/31/573154031.db2.gz QLSLYRVAFPEVOB-QMMMGPOBSA-N 0 0 170.252 2.028 10 0 AEAERN CC(C)[C@H](C)C(=O)OC[C@@H]1C[C@@H]1C 308283961 573154063 /nfs/dbraw/zinc/15/40/63/573154063.db2.gz YBJKHXBCNKATOH-GUBZILKMSA-N 0 0 184.279 2.478 10 0 AEAERN C[C@](N)(c1ccco1)C(F)(F)F 82670655 573154102 /nfs/dbraw/zinc/15/41/02/573154102.db2.gz OXFYYFPZGNGHQS-LURJTMIESA-N 0 0 179.141 2.016 10 0 AEAERN Cc1ccc(SN)c(C)c1 259346827 573154191 /nfs/dbraw/zinc/15/41/91/573154191.db2.gz YHHJHCRTAGUXNW-UHFFFAOYSA-N 0 0 153.250 2.269 10 0 AEAERN CC(C)(C)OC(=O)c1ccoc1 82671077 573154324 /nfs/dbraw/zinc/15/43/24/573154324.db2.gz ZHTUOBYXWKFSRU-UHFFFAOYSA-N 0 0 168.192 2.235 10 0 AEAERN OC[C@H](CC1COC1)C1CCCCC1 258552680 573155281 /nfs/dbraw/zinc/15/52/81/573155281.db2.gz JJLPXPLZFSCUAM-LBPRGKRZSA-N 0 0 198.306 2.212 10 0 AEAERN CC[C@](N)(C(C)C)C(F)(F)F 82670717 573154398 /nfs/dbraw/zinc/15/43/98/573154398.db2.gz FCGXTGFHLSRAMO-LURJTMIESA-N 0 0 169.190 2.312 10 0 AEAERN CCCCC(=O)NCC1(CF)CC1 308505740 573154412 /nfs/dbraw/zinc/15/44/12/573154412.db2.gz ZDONLPIAXSWUSD-UHFFFAOYSA-N 0 0 187.258 2.043 10 0 AEAERN Cc1[nH]c(Cl)nc1-c1cccnc1 258545294 573154440 /nfs/dbraw/zinc/15/44/40/573154440.db2.gz KFNGEPIVYGSGBV-UHFFFAOYSA-N 0 0 193.637 2.434 10 0 AEAERN Cc1sc(N)nc1CC(C)C 258543978 573154454 /nfs/dbraw/zinc/15/44/54/573154454.db2.gz OTWCKSWUFYSRSU-UHFFFAOYSA-N 0 0 170.281 2.232 10 0 AEAERN C[C@@H]1CCC[C@](N)(C(F)(F)F)C1 82670778 573154471 /nfs/dbraw/zinc/15/44/71/573154471.db2.gz HIJTVOIKMMTBQX-RNFRBKRXSA-N 0 0 181.201 2.456 10 0 AEAERN ONCc1cccc(C2CCC2)c1 257954107 573154802 /nfs/dbraw/zinc/15/48/02/573154802.db2.gz GBZZRGNSDQNUOT-UHFFFAOYSA-N 0 0 177.247 2.433 10 0 AEAERN C[C@H]1CCC[C@](N)(C(F)(F)F)C1 82670781 573154674 /nfs/dbraw/zinc/15/46/74/573154674.db2.gz HIJTVOIKMMTBQX-NKWVEPMBSA-N 0 0 181.201 2.456 10 0 AEAERN Cc1cc(C)c(C)c(CON)c1 257954112 573154763 /nfs/dbraw/zinc/15/47/63/573154763.db2.gz GCHFMTVRVNEFIM-UHFFFAOYSA-N 0 0 165.236 2.002 10 0 AEAERN C[C@H]1CCC[C@@](N)(C(F)(F)F)C1 82670785 573154703 /nfs/dbraw/zinc/15/47/03/573154703.db2.gz HIJTVOIKMMTBQX-BQBZGAKWSA-N 0 0 181.201 2.456 10 0 AEAERN C[C@H]1CCCC[C@@]1(N)C(F)(F)F 82670726 573154713 /nfs/dbraw/zinc/15/47/13/573154713.db2.gz CJSJJMKMVGYIFP-BQBZGAKWSA-N 0 0 181.201 2.456 10 0 AEAERN CC(C)[C@@H](O)CC(C)(C)C 82673785 573154744 /nfs/dbraw/zinc/15/47/44/573154744.db2.gz NPUIBFBNZSKEAP-QMMMGPOBSA-N 0 0 144.258 2.440 10 0 AEAERN CCc1ccc2nc(CO)sc2c1 238293505 573154779 /nfs/dbraw/zinc/15/47/79/573154779.db2.gz PJIAOACSFDQECR-UHFFFAOYSA-N 0 0 193.271 2.351 10 0 AEAERN CCC[C@@H](C)[C@@H](N)C(F)(F)F 82670735 573154835 /nfs/dbraw/zinc/15/48/35/573154835.db2.gz MRPDNHPCOXLCBA-PHDIDXHHSA-N 0 0 169.190 2.312 10 0 AEAERN Cc1ncc(-c2ccc(C)o2)c(=O)[nH]1 258553799 573155046 /nfs/dbraw/zinc/15/50/46/573155046.db2.gz OPWCVSUQUKRNPH-UHFFFAOYSA-N 0 0 190.202 2.059 10 0 AEAERN CSc1ncc(Cl)o1 258544076 573155089 /nfs/dbraw/zinc/15/50/89/573155089.db2.gz NSRKNIRGNLQCGM-UHFFFAOYSA-N 0 0 149.602 2.050 10 0 AEAERN CCCCC[C@@H](O)c1c(C)cnn1C 308507121 573155145 /nfs/dbraw/zinc/15/51/45/573155145.db2.gz ZMZOMEQLOXGORY-SNVBAGLBSA-N 0 0 196.294 2.342 10 0 AEAERN CCC[C@H](C)[C@H](N)C(F)(F)F 82670733 573155251 /nfs/dbraw/zinc/15/52/51/573155251.db2.gz MRPDNHPCOXLCBA-WDSKDSINSA-N 0 0 169.190 2.312 10 0 AEAERN CC(=O)N(C)[C@@H](C)Cc1ccsc1 308283467 573155253 /nfs/dbraw/zinc/15/52/53/573155253.db2.gz XVBBLSPSQXBERD-QMMMGPOBSA-N 0 0 197.303 2.157 10 0 AEAERN CCc1ccc2oncc2c1OC 238294377 573155263 /nfs/dbraw/zinc/15/52/63/573155263.db2.gz CDOZVOIBIXTNDB-UHFFFAOYSA-N 0 0 177.203 2.399 10 0 AEAERN Cc1cc2c(cc1C=O)CCCN2C 238293751 573155288 /nfs/dbraw/zinc/15/52/88/573155288.db2.gz TYQBGDUWNGVRIX-UHFFFAOYSA-N 0 0 189.258 2.190 10 0 AEAERN CCCC1(C2CCC(O)CC2)COC1 258542352 573155290 /nfs/dbraw/zinc/15/52/90/573155290.db2.gz JTHGFSKIDIUIET-UHFFFAOYSA-N 0 0 198.306 2.354 10 0 AEAERN CC[C@@](N)(c1ccco1)C(F)(F)F 82670479 573155342 /nfs/dbraw/zinc/15/53/42/573155342.db2.gz OFWFMPRAEISVNW-SSDOTTSWSA-N 0 0 193.168 2.406 10 0 AEAERN O[C@@H]1CCC/C1=C/C(F)(F)F 215530981 573155390 /nfs/dbraw/zinc/15/53/90/573155390.db2.gz ILJLZGMGMTYGOW-WWVFMHICSA-N 0 0 166.142 2.020 10 0 AEAERN CCO[C@H]1CCC(CO)=CC1(C)C 238293491 573155431 /nfs/dbraw/zinc/15/54/31/573155431.db2.gz BJBYXEWEMWNGCQ-JTQLQIEISA-N 0 0 184.279 2.130 10 0 AEAERN CCOC(=O)c1ccc2n1CCCC2 238294179 573155541 /nfs/dbraw/zinc/15/55/41/573155541.db2.gz CEOWKCVCCHZIRK-UHFFFAOYSA-N 0 0 193.246 2.001 10 0 AEAERN CC(=O)N(C)c1cccc2[nH]ccc12 238293085 573155547 /nfs/dbraw/zinc/15/55/47/573155547.db2.gz MUJWXIBWAZWCDG-UHFFFAOYSA-N 0 0 188.230 2.151 10 0 AEAERN CCCCC[C@H](O)c1c(C)cnn1C 308507119 573155606 /nfs/dbraw/zinc/15/56/06/573155606.db2.gz ZMZOMEQLOXGORY-JTQLQIEISA-N 0 0 196.294 2.342 10 0 AEAERN CNc1nccc2ccc(F)cc12 123734094 573155633 /nfs/dbraw/zinc/15/56/33/573155633.db2.gz KDNNLAWUHBWVCC-UHFFFAOYSA-N 0 0 176.194 2.416 10 0 AEAERN CC(C)C[C@@H]1OC=C[C@@H](O)C1(C)C 223916181 573156974 /nfs/dbraw/zinc/15/69/74/573156974.db2.gz HMMFRDAFSQOOFD-ZJUUUORDSA-N 0 0 184.279 2.332 10 0 AEAERN CCCNC(=O)NC(C)(C)C(C)C 308506940 573155704 /nfs/dbraw/zinc/15/57/04/573155704.db2.gz ZSRFESSXLWQINZ-UHFFFAOYSA-N 0 0 186.299 2.130 10 0 AEAERN CCc1oc(=O)[nH]c1CC(C)C 258543899 573155708 /nfs/dbraw/zinc/15/57/08/573155708.db2.gz OSDRTIYRDODLKL-UHFFFAOYSA-N 0 0 169.224 2.141 10 0 AEAERN CC(=O)c1c(O)ccc2c1SCO2 115002471 573155811 /nfs/dbraw/zinc/15/58/11/573155811.db2.gz YIKZDLRJKZINIM-UHFFFAOYSA-N 0 0 196.227 2.037 10 0 AEAERN CCNc1ccnc(CC(C)(C)C)n1 82674887 573155827 /nfs/dbraw/zinc/15/58/27/573155827.db2.gz XHGBNLANBJMITQ-UHFFFAOYSA-N 0 0 193.294 2.497 10 0 AEAERN Nc1cccc(O[C@@H]2CCCCO2)c1 115058271 573155828 /nfs/dbraw/zinc/15/58/28/573155828.db2.gz PUIYOTXVEJMDEL-LLVKDONJSA-N 0 0 193.246 2.174 10 0 AEAERN CCc1noc2nccc(Cl)c12 238292943 573155879 /nfs/dbraw/zinc/15/58/79/573155879.db2.gz CYSYWPQDKCHMPS-UHFFFAOYSA-N 0 0 182.610 2.439 10 0 AEAERN C[C@@](N)(C1CCCC1)C(F)(F)F 82670576 573155899 /nfs/dbraw/zinc/15/58/99/573155899.db2.gz ZCCRUMVKOPAPON-SSDOTTSWSA-N 0 0 181.201 2.456 10 0 AEAERN CC(C)(C)CC(=O)[C@@H]1CCOC1 82673604 573155918 /nfs/dbraw/zinc/15/59/18/573155918.db2.gz QLSLYRVAFPEVOB-MRVPVSSYSA-N 0 0 170.252 2.028 10 0 AEAERN CNc1nc(CCc2ccco2)co1 258542734 573155932 /nfs/dbraw/zinc/15/59/32/573155932.db2.gz IKGVTDVABRPGKF-UHFFFAOYSA-N 0 0 192.218 2.095 10 0 AEAERN Clc1c[nH]c(N2CCCCC2)n1 258553857 573156921 /nfs/dbraw/zinc/15/69/21/573156921.db2.gz OQQIDDMPFUNZAM-UHFFFAOYSA-N 0 0 185.658 2.053 10 0 AEAERN CC(C)(C)Oc1cnsc1 258542877 573155996 /nfs/dbraw/zinc/15/59/96/573155996.db2.gz OGLRNMQYHXGUNX-UHFFFAOYSA-N 0 0 157.238 2.320 10 0 AEAERN CCOc1ccc(SC)cn1 238293045 573156193 /nfs/dbraw/zinc/15/61/93/573156193.db2.gz LAHNWKKAEZDVES-UHFFFAOYSA-N 0 0 169.249 2.202 10 0 AEAERN C[C@@]1(C2CCCC2)COC(=O)C1 258554431 573156287 /nfs/dbraw/zinc/15/62/87/573156287.db2.gz PSAZBSMFPNFXGQ-JTQLQIEISA-N 0 0 168.236 2.130 10 0 AEAERN Cc1cc(C(N)=O)c(C)c(C)c1C 115012025 573156617 /nfs/dbraw/zinc/15/66/17/573156617.db2.gz PBYBFUYDFWMDHH-UHFFFAOYSA-N 0 0 177.247 2.019 10 0 AEAERN CCO[C@H]1CCCC[C@@H]1C(C)=O 238293693 573156628 /nfs/dbraw/zinc/15/66/28/573156628.db2.gz DFPRVKNKWSZAGN-ZJUUUORDSA-N 0 0 170.252 2.171 10 0 AEAERN CCc1ccc(C2(OC)COC2)cc1 258554878 573156900 /nfs/dbraw/zinc/15/69/00/573156900.db2.gz LHEYELIPFCXFFQ-UHFFFAOYSA-N 0 0 192.258 2.121 10 0 AEAERN CCc1oc(N)cc1SC 238293836 573156846 /nfs/dbraw/zinc/15/68/46/573156846.db2.gz RPPNPMXVTDOVBI-UHFFFAOYSA-N 0 0 157.238 2.146 10 0 AEAERN CCc1oc(=O)[nH]c1-c1ccccc1 238293478 573157996 /nfs/dbraw/zinc/15/79/96/573157996.db2.gz OIXAHMGOSJHDGW-UHFFFAOYSA-N 0 0 189.214 2.197 10 0 AEAERN CCc1ccc2ncc(C=O)n2c1C 238293764 573158152 /nfs/dbraw/zinc/15/81/52/573158152.db2.gz CIXYRMKTXVNVKI-UHFFFAOYSA-N 0 0 188.230 2.018 10 0 AEAERN CCSc1cc(=O)[nH]c(C(C)C)n1 238293537 573157298 /nfs/dbraw/zinc/15/72/98/573157298.db2.gz IKVGQLUJYBXEOK-UHFFFAOYSA-N 0 0 198.291 2.005 10 0 AEAERN CC(C)=CCNCc1ncccc1F 308506264 573157334 /nfs/dbraw/zinc/15/73/34/573157334.db2.gz ITCRFTSSCDBNST-UHFFFAOYSA-N 0 0 194.253 2.277 10 0 AEAERN C[C@](O)(CCC1CC1)C1CC1 235723247 573157355 /nfs/dbraw/zinc/15/73/55/573157355.db2.gz AHUKQSCWEVCCSJ-JTQLQIEISA-N 0 0 154.253 2.338 10 0 AEAERN CCc1occ(N)c1SC 238293933 573157429 /nfs/dbraw/zinc/15/74/29/573157429.db2.gz FZZDPECIHXDVFV-UHFFFAOYSA-N 0 0 157.238 2.146 10 0 AEAERN CCc1ccc([C@H](O)C(C)C)nc1 238293723 573157434 /nfs/dbraw/zinc/15/74/34/573157434.db2.gz ZLNAPLBHNVEQFB-LLVKDONJSA-N 0 0 179.263 2.333 10 0 AEAERN O[C@H](c1cccnc1)[C@@H]1CC=CCC1 82678580 573157436 /nfs/dbraw/zinc/15/74/36/573157436.db2.gz SUBWUJYCBWITKH-PWSUYJOCSA-N 0 0 189.258 2.471 10 0 AEAERN CC(C)[C@H](C)C(=O)OC[C@H]1C[C@H]1C 308283962 573157475 /nfs/dbraw/zinc/15/74/75/573157475.db2.gz YBJKHXBCNKATOH-KXUCPTDWSA-N 0 0 184.279 2.478 10 0 AEAERN CCc1ccc2cnoc2c1OC 238292933 573157546 /nfs/dbraw/zinc/15/75/46/573157546.db2.gz CUVQXLQMUYXBKJ-UHFFFAOYSA-N 0 0 177.203 2.399 10 0 AEAERN 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CPKXZNAVHRUIPH-RKDXNWHRSA-N 0 0 154.253 2.360 10 0 AEAERN CCc1ccc(-c2cc(N)no2)o1 85827603 573161887 /nfs/dbraw/zinc/16/18/87/573161887.db2.gz YCQWTASTIARCRG-UHFFFAOYSA-N 0 0 178.191 2.079 10 0 AEAERN Cc1ccc(C)n1NCc1ccc[nH]1 85830146 573161922 /nfs/dbraw/zinc/16/19/22/573161922.db2.gz AGJYHXHPKSIVJC-UHFFFAOYSA-N 0 0 189.262 2.177 10 0 AEAERN C[C@@H](Nn1cccc1)c1nccs1 85828435 573162001 /nfs/dbraw/zinc/16/20/01/573162001.db2.gz ZAYVNOZSSATKLP-MRVPVSSYSA-N 0 0 193.275 2.249 10 0 AEAERN CC[C@@H](C)Nn1c(C)ccc1C 85829734 573161941 /nfs/dbraw/zinc/16/19/41/573161941.db2.gz KJKBBMYYYKNLPN-MRVPVSSYSA-N 0 0 166.268 2.447 10 0 AEAERN Cc1ccc(C)n1N[C@H]1CCSC1 85829717 573161950 /nfs/dbraw/zinc/16/19/50/573161950.db2.gz ZYNKTOUGHSYHRR-JTQLQIEISA-N 0 0 196.319 2.154 10 0 AEAERN O[C@@H](c1cccnc1)[C@H]1CC=CCC1 82678575 573161978 /nfs/dbraw/zinc/16/19/78/573161978.db2.gz SUBWUJYCBWITKH-CMPLNLGQSA-N 0 0 189.258 2.471 10 0 AEAERN CCOC(=O)c1nsc2ccoc12 259602262 573162002 /nfs/dbraw/zinc/16/20/02/573162002.db2.gz CXCFXKCCWXNMSZ-UHFFFAOYSA-N 0 0 197.215 2.066 10 0 AEAERN CCC(CC)C(=O)NO[C@H](C)CC 308285034 573162015 /nfs/dbraw/zinc/16/20/15/573162015.db2.gz AMGRGRKCKYPBSW-MRVPVSSYSA-N 0 0 187.283 2.269 10 0 AEAERN CCOC(=N)c1ccc(Cl)cn1 82703704 573162016 /nfs/dbraw/zinc/16/20/16/573162016.db2.gz GEVHRGGBIJJIAZ-UHFFFAOYSA-N 0 0 184.626 2.097 10 0 AEAERN CC(C)(ON)c1ccccc1Cl 259348929 573162074 /nfs/dbraw/zinc/16/20/74/573162074.db2.gz FGHFWAUOIDTQPW-UHFFFAOYSA-N 0 0 185.654 2.465 10 0 AEAERN CCc1ccc(-c2[nH]nc(N)c2C)o1 85826909 573162079 /nfs/dbraw/zinc/16/20/79/573162079.db2.gz AJXNCVYZMKQWPG-UHFFFAOYSA-N 0 0 191.234 2.123 10 0 AEAERN C[C@@H](Nn1cccc1)c1ccccn1 85828670 573162114 /nfs/dbraw/zinc/16/21/14/573162114.db2.gz SQXZMGYVVCZZDW-SNVBAGLBSA-N 0 0 187.246 2.188 10 0 AEAERN C[C@H]1CC[C@@H](Nn2cccc2)C1 85829318 573162122 /nfs/dbraw/zinc/16/21/22/573162122.db2.gz IIKHZYFHVQCRKR-VHSXEESVSA-N 0 0 164.252 2.220 10 0 AEAERN Cc1cc(-c2ccnc(N)c2)cc(C)n1 308786030 573162164 /nfs/dbraw/zinc/16/21/64/573162164.db2.gz GBOJBLSDRNFDKV-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CCc1ccc(C(=O)CSC)o1 85826930 573162188 /nfs/dbraw/zinc/16/21/88/573162188.db2.gz GJWNJIZCQBBMII-UHFFFAOYSA-N 0 0 184.260 2.388 10 0 AEAERN c1csc(CNn2cccc2)c1 85828307 573162217 /nfs/dbraw/zinc/16/22/17/573162217.db2.gz ICWQCKXWMYDOFP-UHFFFAOYSA-N 0 0 178.260 2.293 10 0 AEAERN CC[C@H](C)CNn1cccc1 85828850 573162229 /nfs/dbraw/zinc/16/22/29/573162229.db2.gz HJDFHZKOXWJHJN-VIFPVBQESA-N 0 0 152.241 2.078 10 0 AEAERN CCCN(C)C(=O)[C@@H]1C[C@]1(C)CC 308285607 573162263 /nfs/dbraw/zinc/16/22/63/573162263.db2.gz ATYNDFPLWRRMDB-ONGXEEELSA-N 0 0 183.295 2.291 10 0 AEAERN CCc1ccc([C@H](O)CC)o1 82677563 573162299 /nfs/dbraw/zinc/16/22/99/573162299.db2.gz SIJMOJHGNXATIT-MRVPVSSYSA-N 0 0 154.209 2.285 10 0 AEAERN C[C@@H](Nn1cccc1)c1cccnc1 85829165 573162353 /nfs/dbraw/zinc/16/23/53/573162353.db2.gz VYVOLCUZXRIYAH-SNVBAGLBSA-N 0 0 187.246 2.188 10 0 AEAERN CC[C@@H](O)c1ccc2c(c1)CCN2C 82678072 573162397 /nfs/dbraw/zinc/16/23/97/573162397.db2.gz XVAFKMTVLHJQLC-GFCCVEGCSA-N 0 0 191.274 2.122 10 0 AEAERN Cc1nnc(Cl)n1C1CC(C)C1 123754372 573162464 /nfs/dbraw/zinc/16/24/64/573162464.db2.gz GELGQLIRHJYZHY-UHFFFAOYSA-N 0 0 185.658 2.211 10 0 AEAERN Nc1onc(Cl)c1C1CCC1 257954697 573162552 /nfs/dbraw/zinc/16/25/52/573162552.db2.gz WSXLNGPSLXVELU-UHFFFAOYSA-N 0 0 172.615 2.178 10 0 AEAERN C[C@H]1C[C@@](O)(C2=CCCCC2)CCO1 235725404 573162599 /nfs/dbraw/zinc/16/25/99/573162599.db2.gz VUXXMJWMZUPWQU-CMPLNLGQSA-N 0 0 196.290 2.417 10 0 AEAERN Cc1coc(Oc2ccccc2O)n1 257954426 573162613 /nfs/dbraw/zinc/16/26/13/573162613.db2.gz XIJSBFCMNLWHBN-UHFFFAOYSA-N 0 0 191.186 2.481 10 0 AEAERN CCC[C@H](C)Nn1cccc1 85828838 573162617 /nfs/dbraw/zinc/16/26/17/573162617.db2.gz AHIKYFSKOZBJGK-VIFPVBQESA-N 0 0 152.241 2.220 10 0 AEAERN CC[C@@H]1[C@H](C)CC[C@@H](O)[C@@H]1C 238297590 573162641 /nfs/dbraw/zinc/16/26/41/573162641.db2.gz VZHWFBPURGJZQF-ZYUZMQFOSA-N 0 0 156.269 2.440 10 0 AEAERN Cc1nc(Cl)cs1 78317414 573162651 /nfs/dbraw/zinc/16/26/51/573162651.db2.gz WLIMJCNCVLQJMJ-UHFFFAOYSA-N 0 0 133.603 2.105 10 0 AEAERN C[C@@H]1CC[C@H](Nn2cccc2)C1 85829312 573162658 /nfs/dbraw/zinc/16/26/58/573162658.db2.gz IIKHZYFHVQCRKR-ZJUUUORDSA-N 0 0 164.252 2.220 10 0 AEAERN c1ccn(NCC2CCCC2)c1 85828221 573163804 /nfs/dbraw/zinc/16/38/04/573163804.db2.gz UNPXLDSESDOTAI-UHFFFAOYSA-N 0 0 164.252 2.222 10 0 AEAERN C1=CC[C@@H](CNn2cccc2)CC1 85829030 573163792 /nfs/dbraw/zinc/16/37/92/573163792.db2.gz WMVBXVKSTGADTE-LLVKDONJSA-N 0 0 176.263 2.388 10 0 AEAERN CC(C)C(=O)N1CC[C@H](C)C[C@H]1C 82738150 573162954 /nfs/dbraw/zinc/16/29/54/573162954.db2.gz SDLUOGSNBFQRJH-VHSXEESVSA-N 0 0 183.295 2.289 10 0 AEAERN CC(C)c1oc(CN)nc1C1CC1 257954736 573163024 /nfs/dbraw/zinc/16/30/24/573163024.db2.gz WUZICZZIFSRBIE-UHFFFAOYSA-N 0 0 180.251 2.134 10 0 AEAERN CCc1cccc([C@@H]2CCC(=O)N2)c1 238297038 573163056 /nfs/dbraw/zinc/16/30/56/573163056.db2.gz MQGMDVFOYFHZDG-NSHDSACASA-N 0 0 189.258 2.200 10 0 AEAERN C[C@H](OC(=O)C[C@H]1C[C@H]1C)C(F)F 308285943 573163058 /nfs/dbraw/zinc/16/30/58/573163058.db2.gz ZACGFRUVLRVKBE-DSYKOEDSSA-N 0 0 192.205 2.229 10 0 AEAERN CCOCc1ccc2c(c1)CCC2=O 238297221 573163066 /nfs/dbraw/zinc/16/30/66/573163066.db2.gz OVOAZXZEVFJSKO-UHFFFAOYSA-N 0 0 190.242 2.352 10 0 AEAERN O=Cc1nc(C2CCCC2)co1 258560098 573163085 /nfs/dbraw/zinc/16/30/85/573163085.db2.gz QJZOGOBKIKCCSK-UHFFFAOYSA-N 0 0 165.192 2.145 10 0 AEAERN O=Cc1cc(C2CCSCC2)on1 259349194 573163089 /nfs/dbraw/zinc/16/30/89/573163089.db2.gz UHBJTCMTLJVCRB-UHFFFAOYSA-N 0 0 197.259 2.098 10 0 AEAERN C[C@@H](Nn1cccc1)C1(C)CC1 85828526 573163798 /nfs/dbraw/zinc/16/37/98/573163798.db2.gz DNEIFEWXRAGUDG-SECBINFHSA-N 0 0 164.252 2.220 10 0 AEAERN CCc1[nH]c2ccc(OC)nc2c1C 238296581 573163103 /nfs/dbraw/zinc/16/31/03/573163103.db2.gz IZERTTJEORTFAH-UHFFFAOYSA-N 0 0 190.246 2.442 10 0 AEAERN CCC(CC)Nn1cccc1 85829170 573163105 /nfs/dbraw/zinc/16/31/05/573163105.db2.gz UHWTYENMNLUHGX-UHFFFAOYSA-N 0 0 152.241 2.220 10 0 AEAERN CC(C)CC[C@H](C)CCO 115125169 573163112 /nfs/dbraw/zinc/16/31/12/573163112.db2.gz DNHFCNDAPIMDKL-VIFPVBQESA-N 0 0 144.258 2.441 10 0 AEAERN CCOCc1ccc2c(c1)NCCO2 238297269 573163118 /nfs/dbraw/zinc/16/31/18/573163118.db2.gz YUODWRBAYZQALK-UHFFFAOYSA-N 0 0 193.246 2.027 10 0 AEAERN c1ccc2c(Cn3cccn3)c[nH]c2c1 215085891 573163154 /nfs/dbraw/zinc/16/31/54/573163154.db2.gz IBRNSYIAIZKWCH-UHFFFAOYSA-N 0 0 197.241 2.413 10 0 AEAERN CCc1c(C)nn(CCC(C)=O)c1C 40733081 573163175 /nfs/dbraw/zinc/16/31/75/573163175.db2.gz BHYYTZUMERYEOK-UHFFFAOYSA-N 0 0 194.278 2.041 10 0 AEAERN CON(C)CCSc1ccccc1 308284899 573163283 /nfs/dbraw/zinc/16/32/83/573163283.db2.gz BJMGUQISMWZXLH-UHFFFAOYSA-N 0 0 197.303 2.272 10 0 AEAERN Fc1ccc(CNn2cccc2)cc1 85828792 573163286 /nfs/dbraw/zinc/16/32/86/573163286.db2.gz CTZXHTFJQZUHKV-UHFFFAOYSA-N 0 0 190.221 2.371 10 0 AEAERN CC1=CC[C@@H]([C@@H](C)O)C1(C)C 115105821 573163329 /nfs/dbraw/zinc/16/33/29/573163329.db2.gz CPKXZNAVHRUIPH-BDAKNGLRSA-N 0 0 154.253 2.360 10 0 AEAERN c1ccn(NC(C2CC2)C2CC2)c1 85829171 573163351 /nfs/dbraw/zinc/16/33/51/573163351.db2.gz NCWYIWMDCYOSTO-UHFFFAOYSA-N 0 0 176.263 2.220 10 0 AEAERN CCc1cccc(C)c1N[C@@H](C)O 238297600 573163361 /nfs/dbraw/zinc/16/33/61/573163361.db2.gz NJTUBNCCNCRPKB-SECBINFHSA-N 0 0 179.263 2.308 10 0 AEAERN OC[C@@H]1CCCc2sccc21 89631472 573163369 /nfs/dbraw/zinc/16/33/69/573163369.db2.gz RVXWVYJMUPKBEC-ZETCQYMHSA-N 0 0 168.261 2.160 10 0 AEAERN CC(C)[C@@H](C)Nn1cccc1 85829184 573163383 /nfs/dbraw/zinc/16/33/83/573163383.db2.gz ULNJPLGGGJHENM-SECBINFHSA-N 0 0 152.241 2.076 10 0 AEAERN C[C@@H](OC(=O)C[C@H]1C[C@H]1C)C(F)F 308285946 573163413 /nfs/dbraw/zinc/16/34/13/573163413.db2.gz ZACGFRUVLRVKBE-FSDSQADBSA-N 0 0 192.205 2.229 10 0 AEAERN CCc1ccc(-c2noc(N)c2C)o1 85826954 573163427 /nfs/dbraw/zinc/16/34/27/573163427.db2.gz WWPFBZYBRLGLND-UHFFFAOYSA-N 0 0 192.218 2.388 10 0 AEAERN CC(C)(C)CNn1cccc1 85828945 573163466 /nfs/dbraw/zinc/16/34/66/573163466.db2.gz FGAABPSZMMQNFQ-UHFFFAOYSA-N 0 0 152.241 2.078 10 0 AEAERN C[C@H]1CC[C@H](Nn2cccc2)C1 85829314 573163473 /nfs/dbraw/zinc/16/34/73/573163473.db2.gz IIKHZYFHVQCRKR-UWVGGRQHSA-N 0 0 164.252 2.220 10 0 AEAERN C[C@H](Nn1cccc1)c1nccs1 85828433 573163548 /nfs/dbraw/zinc/16/35/48/573163548.db2.gz ZAYVNOZSSATKLP-QMMMGPOBSA-N 0 0 193.275 2.249 10 0 AEAERN CCc1ccc([C@@H](O)c2cc[nH]c2)o1 85827158 573163587 /nfs/dbraw/zinc/16/35/87/573163587.db2.gz YDUJEQQRVWQHPX-NSHDSACASA-N 0 0 191.230 2.252 10 0 AEAERN CC1=CC[C@@H]([C@H](C)O)C1(C)C 115105822 573163592 /nfs/dbraw/zinc/16/35/92/573163592.db2.gz CPKXZNAVHRUIPH-IUCAKERBSA-N 0 0 154.253 2.360 10 0 AEAERN C[C@@H](Nn1cccc1)c1ccco1 85829381 573163676 /nfs/dbraw/zinc/16/36/76/573163676.db2.gz YPPWKTAYCUZWEE-SECBINFHSA-N 0 0 176.219 2.386 10 0 AEAERN C/C=C1\[C@H](CC)[C@H]1C(C)=O 238296995 573163694 /nfs/dbraw/zinc/16/36/94/573163694.db2.gz VLOOPKMYQGNEMA-DTHNXCEOSA-N 0 0 138.210 2.178 10 0 AEAERN CCCCC(F)(F)[C@H](C)NC 258560192 573163696 /nfs/dbraw/zinc/16/36/96/573163696.db2.gz QLYVEHKNDLWIJN-ZETCQYMHSA-N 0 0 165.227 2.420 10 0 AEAERN Cc1ccc(C)n1N[C@@H](C)C1CC1 85829728 573163747 /nfs/dbraw/zinc/16/37/47/573163747.db2.gz ZHZLLKMZLIWDLQ-JTQLQIEISA-N 0 0 178.279 2.447 10 0 AEAERN Cc1cc(C)c([C@H](N)C(F)(F)F)[nH]1 104675409 573164200 /nfs/dbraw/zinc/16/42/00/573164200.db2.gz VNSKVYICMSEXNN-ZETCQYMHSA-N 0 0 192.184 2.194 10 0 AEAERN CCONC(=O)/C(C)=C\C(C)(C)C 308289258 573164230 /nfs/dbraw/zinc/16/42/30/573164230.db2.gz CPJOJQDDEGGHBU-FPLPWBNLSA-N 0 0 185.267 2.047 10 0 AEAERN Cc1ccc(C)n1N[C@H](C)C1CC1 85829730 573164233 /nfs/dbraw/zinc/16/42/33/573164233.db2.gz ZHZLLKMZLIWDLQ-SNVBAGLBSA-N 0 0 178.279 2.447 10 0 AEAERN CCOC[C@H](O)[C@@H]1CC2CCC1CC2 308511415 573165213 /nfs/dbraw/zinc/16/52/13/573165213.db2.gz JZIKAOUQJXXJRI-HCWSGVFWSA-N 0 0 198.306 2.210 10 0 AEAERN C[C@H]1C[C@@](O)(CCC2CC2)CS1 235726038 573164312 /nfs/dbraw/zinc/16/43/12/573164312.db2.gz PMOMIDAWDDZJCE-WPRPVWTQSA-N 0 0 186.320 2.433 10 0 AEAERN C[C@@H]1CC[C@@H](Nn2cccc2)C1 85829316 573164336 /nfs/dbraw/zinc/16/43/36/573164336.db2.gz IIKHZYFHVQCRKR-NXEZZACHSA-N 0 0 164.252 2.220 10 0 AEAERN CCc1c(C)[nH]c(N)c1CC 238297105 573164349 /nfs/dbraw/zinc/16/43/49/573164349.db2.gz CKHYGQXOIAJAGZ-QMMMGPOBSA-N 0 0 152.241 2.277 10 0 AEAERN C[C@H]1CCC[C@H]1Nn1cccc1 85828623 573164393 /nfs/dbraw/zinc/16/43/93/573164393.db2.gz NCNHMCLNAMKRBV-VHSXEESVSA-N 0 0 164.252 2.220 10 0 AEAERN Cc1ccc(C)n1NCC1CC1 85829680 573164423 /nfs/dbraw/zinc/16/44/23/573164423.db2.gz WODYSVUXIMIROD-UHFFFAOYSA-N 0 0 164.252 2.058 10 0 AEAERN CN(c1cccnc1Cl)C1CC1 238296811 573164520 /nfs/dbraw/zinc/16/45/20/573164520.db2.gz VNLDXBJHLMGURH-UHFFFAOYSA-N 0 0 182.654 2.334 10 0 AEAERN CC[C@@H](C)CNn1cccc1 85828848 573164758 /nfs/dbraw/zinc/16/47/58/573164758.db2.gz HJDFHZKOXWJHJN-SECBINFHSA-N 0 0 152.241 2.078 10 0 AEAERN CCC[C@@H](C)Nn1cccc1 85828836 573164802 /nfs/dbraw/zinc/16/48/02/573164802.db2.gz AHIKYFSKOZBJGK-SECBINFHSA-N 0 0 152.241 2.220 10 0 AEAERN C[C@H](Nn1cccc1)C1(C)CC1 85828524 573164806 /nfs/dbraw/zinc/16/48/06/573164806.db2.gz DNEIFEWXRAGUDG-VIFPVBQESA-N 0 0 164.252 2.220 10 0 AEAERN Cc1cc(N)ncc1-c1ccccn1 82730084 573164819 /nfs/dbraw/zinc/16/48/19/573164819.db2.gz HYHYTMUPTKVKPY-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1ncncc1-c1ccc(O)cc1 257957638 573164844 /nfs/dbraw/zinc/16/48/44/573164844.db2.gz XBLDGPPOKOEZHU-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN c1ccn(NC2CCCCC2)c1 85829221 573164866 /nfs/dbraw/zinc/16/48/66/573164866.db2.gz RHPLJFFVVLHCQY-UHFFFAOYSA-N 0 0 164.252 2.364 10 0 AEAERN CC(C)C(=O)N1CC[C@H](C)C[C@@H]1C 82738152 573164893 /nfs/dbraw/zinc/16/48/93/573164893.db2.gz SDLUOGSNBFQRJH-UWVGGRQHSA-N 0 0 183.295 2.289 10 0 AEAERN Cc1ccc(C)n1NC(C)C 85829583 573164900 /nfs/dbraw/zinc/16/49/00/573164900.db2.gz TXQPTWFZIKFLEY-UHFFFAOYSA-N 0 0 152.241 2.057 10 0 AEAERN CC[C@H](Nn1cccc1)C1CC1 85828565 573164939 /nfs/dbraw/zinc/16/49/39/573164939.db2.gz MVEYEQVRTBZVSI-JTQLQIEISA-N 0 0 164.252 2.220 10 0 AEAERN CC[C@@H](C)C(=O)OCc1cscn1 308289427 573164943 /nfs/dbraw/zinc/16/49/43/573164943.db2.gz GFDSZVQCRYPMDB-SSDOTTSWSA-N 0 0 199.275 2.232 10 0 AEAERN CC(C)[C@@H](CO)C(=O)C1CCCCC1 259037097 573164952 /nfs/dbraw/zinc/16/49/52/573164952.db2.gz CILBHMBZUHEQRN-LLVKDONJSA-N 0 0 198.306 2.400 10 0 AEAERN CCc1nnc(-c2ccc(CC)o2)[nH]1 85826988 573164964 /nfs/dbraw/zinc/16/49/64/573164964.db2.gz UJFBDGZZXUPCQH-UHFFFAOYSA-N 0 0 191.234 2.190 10 0 AEAERN CCCC[C@@H](C)NC(=O)CCC 82738157 573164965 /nfs/dbraw/zinc/16/49/65/573164965.db2.gz WMQPJZDHFDFOAN-SECBINFHSA-N 0 0 171.284 2.481 10 0 AEAERN C/C=C\COC(=O)c1csc(C)n1 308289704 573164983 /nfs/dbraw/zinc/16/49/83/573164983.db2.gz GHSSRIFZKJJOSL-ARJAWSKDSA-N 0 0 197.259 2.184 10 0 AEAERN C[C@H]1CCC[C@@H]1Nn1cccc1 85828620 573164998 /nfs/dbraw/zinc/16/49/98/573164998.db2.gz NCNHMCLNAMKRBV-UWVGGRQHSA-N 0 0 164.252 2.220 10 0 AEAERN CC[C@H](C)Nn1c(C)ccc1C 85829735 573165031 /nfs/dbraw/zinc/16/50/31/573165031.db2.gz KJKBBMYYYKNLPN-QMMMGPOBSA-N 0 0 166.268 2.447 10 0 AEAERN C/C=C/CN[C@@H](C)c1nnc(C)s1 308300431 573165083 /nfs/dbraw/zinc/16/50/83/573165083.db2.gz LRDWUMUVDMAIKC-KPJROHGDSA-N 0 0 197.307 2.073 10 0 AEAERN Cc1ccc(C)n1NCc1ccco1 85829723 573165085 /nfs/dbraw/zinc/16/50/85/573165085.db2.gz MTNBLAGXAWKKSK-UHFFFAOYSA-N 0 0 190.246 2.442 10 0 AEAERN COc1ccncc1[C@H](C)CC(C)=O 308512196 573165088 /nfs/dbraw/zinc/16/50/88/573165088.db2.gz SPNXZXXOZZFYIW-MRVPVSSYSA-N 0 0 193.246 2.173 10 0 AEAERN Fc1cccc(CNn2cccc2)c1 85829143 573165098 /nfs/dbraw/zinc/16/50/98/573165098.db2.gz RIHYNDCVIZUHGN-UHFFFAOYSA-N 0 0 190.221 2.371 10 0 AEAERN Cc1ccc(C)n1NCc1ccoc1 85829912 573165155 /nfs/dbraw/zinc/16/51/55/573165155.db2.gz OARHLEUFZJQHJN-UHFFFAOYSA-N 0 0 190.246 2.442 10 0 AEAERN COC(=O)c1[nH]c(C)cc1C(C)C 259602280 573165184 /nfs/dbraw/zinc/16/51/84/573165184.db2.gz CXQCZRWULGFEGP-UHFFFAOYSA-N 0 0 181.235 2.233 10 0 AEAERN CCc1cccc(C)c1N[C@H](C)O 238297811 573165197 /nfs/dbraw/zinc/16/51/97/573165197.db2.gz NJTUBNCCNCRPKB-VIFPVBQESA-N 0 0 179.263 2.308 10 0 AEAERN Cc1nc(N)ccc1-c1ccccn1 82730136 573165292 /nfs/dbraw/zinc/16/52/92/573165292.db2.gz PNWIPACGPCZCKW-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CCc1[nH]c2ccccc2c1CCO 238296691 573165306 /nfs/dbraw/zinc/16/53/06/573165306.db2.gz LYZUEXBITOVSLD-UHFFFAOYSA-N 0 0 189.258 2.265 10 0 AEAERN CC(C)[C@H](C)Nn1cccc1 85829185 573165317 /nfs/dbraw/zinc/16/53/17/573165317.db2.gz ULNJPLGGGJHENM-VIFPVBQESA-N 0 0 152.241 2.076 10 0 AEAERN C[C@H](Nn1cccc1)c1cccnc1 85829163 573165345 /nfs/dbraw/zinc/16/53/45/573165345.db2.gz VYVOLCUZXRIYAH-JTQLQIEISA-N 0 0 187.246 2.188 10 0 AEAERN C/C=C\CCNC(=O)C(C)=C(C)C 308289690 573165376 /nfs/dbraw/zinc/16/53/76/573165376.db2.gz GGOXZPDMKUQWOB-WAYWQWQTSA-N 0 0 181.279 2.425 10 0 AEAERN C/C=C(C)/C=C/C(=O)NC1CCC1 308289747 573165436 /nfs/dbraw/zinc/16/54/36/573165436.db2.gz GJOADZLJUJYLMR-JFZQOVMVSA-N 0 0 179.263 2.178 10 0 AEAERN C[C@H](F)c1ccccc1OCCCO 258236654 573165491 /nfs/dbraw/zinc/16/54/91/573165491.db2.gz ZYAHSAYLSDBKQS-VIFPVBQESA-N 0 0 198.237 2.478 10 0 AEAERN CC(=O)[C@H]1COc2cccc(C)c21 258236458 573165509 /nfs/dbraw/zinc/16/55/09/573165509.db2.gz QHDLCIFWGPTFOZ-SECBINFHSA-N 0 0 176.215 2.060 10 0 AEAERN Cn1cc(Oc2ccccc2F)cn1 258561820 573165512 /nfs/dbraw/zinc/16/55/12/573165512.db2.gz OYJNPRWKSUGENC-UHFFFAOYSA-N 0 0 192.193 2.352 10 0 AEAERN CCOC(=O)C1=C(C)NC(=S)C1C 238297959 573165579 /nfs/dbraw/zinc/16/55/79/573165579.db2.gz PITHZLAMECZPMW-UHFFFAOYSA-N 0 0 199.275 2.097 10 0 AEAERN Cc1ccc(CNn2cccc2)o1 85828661 573165619 /nfs/dbraw/zinc/16/56/19/573165619.db2.gz WBPYDUUMWQVHIK-UHFFFAOYSA-N 0 0 176.219 2.133 10 0 AEAERN CCOC(=O)NC(C)(CC)CC 145428668 573171642 /nfs/dbraw/zinc/17/16/42/573171642.db2.gz JFVJQUHVSHBGJA-UHFFFAOYSA-N 0 0 173.256 2.311 10 0 AEAERN C[C@H]1C[C@@](O)(CCC2CC2)CCO1 235725982 573165776 /nfs/dbraw/zinc/16/57/76/573165776.db2.gz MTZVRZIFVUZQIN-GXSJLCMTSA-N 0 0 184.279 2.107 10 0 AEAERN CCc1cccc([C@H]2CCC(=O)N2)c1 238297450 573165798 /nfs/dbraw/zinc/16/57/98/573165798.db2.gz MQGMDVFOYFHZDG-LLVKDONJSA-N 0 0 189.258 2.200 10 0 AEAERN COc1ccncc1[C@@H](C)CC(C)=O 308512197 573165945 /nfs/dbraw/zinc/16/59/45/573165945.db2.gz SPNXZXXOZZFYIW-QMMMGPOBSA-N 0 0 193.246 2.173 10 0 AEAERN C/C=C1/[C@@H](C(C)=O)[C@H]1CC 238297022 573165946 /nfs/dbraw/zinc/16/59/46/573165946.db2.gz VLOOPKMYQGNEMA-UFVYQPJESA-N 0 0 138.210 2.178 10 0 AEAERN C[C@H]1CSc2ccc(CO)cc2N1 259352790 573165973 /nfs/dbraw/zinc/16/59/73/573165973.db2.gz UMICVZGSDJYDMF-ZETCQYMHSA-N 0 0 195.287 2.085 10 0 AEAERN Clc1c[nH]c(Oc2cccnc2)n1 258563039 573165988 /nfs/dbraw/zinc/16/59/88/573165988.db2.gz PJWPIPIKDWEMGW-UHFFFAOYSA-N 0 0 195.609 2.250 10 0 AEAERN CC(=O)c1cc(C(C)C)on1 115213045 573166018 /nfs/dbraw/zinc/16/60/18/573166018.db2.gz SLAOLWUONRUUJG-UHFFFAOYSA-N 0 0 153.181 2.001 10 0 AEAERN CC/C(=C/c1cccc(OC)c1)CO 211900288 573166044 /nfs/dbraw/zinc/16/60/44/573166044.db2.gz FLHXBXGRHGEKRR-YFHOEESVSA-N 0 0 192.258 2.481 10 0 AEAERN Cc1cc(-c2ccccn2)cnc1N 82730024 573166049 /nfs/dbraw/zinc/16/60/49/573166049.db2.gz GPYZRSUWBFFPNV-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CC(=O)c1c(N)sc(C)c1C 82737803 573166062 /nfs/dbraw/zinc/16/60/62/573166062.db2.gz NCDFINOMLXPRAQ-UHFFFAOYSA-N 0 0 169.249 2.150 10 0 AEAERN Nc1ccc2c(C3CC3)onc2c1 257957631 573166070 /nfs/dbraw/zinc/16/60/70/573166070.db2.gz XBEXPHZYHIUMTP-UHFFFAOYSA-N 0 0 174.203 2.287 10 0 AEAERN CC[NH2+][C@H](C)c1cnc(C2CCC2)[nH]1 308511989 573166084 /nfs/dbraw/zinc/16/60/84/573166084.db2.gz CMPHBJUJHRDSQG-MRVPVSSYSA-N 0 0 193.294 2.348 10 0 AEAERN CC[C@@H]1C(=O)CC1(C)C 238297280 573166102 /nfs/dbraw/zinc/16/61/02/573166102.db2.gz ZNWGDNJEHINBRK-ZCFIWIBFSA-N 0 0 126.199 2.012 10 0 AEAERN CCO[C@](C)(CC)C(=O)C1CC1 159334926 573166117 /nfs/dbraw/zinc/16/61/17/573166117.db2.gz KYJGVPHPFNVFLO-SNVBAGLBSA-N 0 0 170.252 2.171 10 0 AEAERN CCSc1cc(N)ccc1O 238297893 573166118 /nfs/dbraw/zinc/16/61/18/573166118.db2.gz KZCQHWZFHDCNMK-UHFFFAOYSA-N 0 0 169.249 2.086 10 0 AEAERN CSCCn1ccc(C2(C)CC2)n1 308290313 573166160 /nfs/dbraw/zinc/16/61/60/573166160.db2.gz DKQDXOJQKPDCBJ-UHFFFAOYSA-N 0 0 196.319 2.298 10 0 AEAERN C/C=C/C(=O)N1CCCCC[C@@H]1C 82707789 573166190 /nfs/dbraw/zinc/16/61/90/573166190.db2.gz CYLPXQZALHUTTG-HTZNOQTFSA-N 0 0 181.279 2.354 10 0 AEAERN CCN1CCC(=O)c2ccccc21 82720558 573166257 /nfs/dbraw/zinc/16/62/57/573166257.db2.gz BTOYEPVPAGJAGZ-UHFFFAOYSA-N 0 0 175.231 2.099 10 0 AEAERN C/C=C\CN[C@H](C)c1nnc(C)s1 308300430 573166262 /nfs/dbraw/zinc/16/62/62/573166262.db2.gz LRDWUMUVDMAIKC-IQXGSHKSSA-N 0 0 197.307 2.073 10 0 AEAERN CC[NH2+][C@@H](C)c1cnc(C2CCC2)[nH]1 308511990 573167143 /nfs/dbraw/zinc/16/71/43/573167143.db2.gz CMPHBJUJHRDSQG-QMMMGPOBSA-N 0 0 193.294 2.348 10 0 AEAERN O=Cc1cc2c([nH]1)CCC=C2Cl 115185628 573168034 /nfs/dbraw/zinc/16/80/34/573168034.db2.gz BILSLMQEPHCVME-UHFFFAOYSA-N 0 0 181.622 2.353 10 0 AEAERN c1ccc(Nc2cncnc2)cc1 82714635 573167971 /nfs/dbraw/zinc/16/79/71/573167971.db2.gz YPDQMJDNMXCJHB-UHFFFAOYSA-N 0 0 171.203 2.220 10 0 AEAERN C/C=C/Cn1cccc1C(C)=O 85832479 573166943 /nfs/dbraw/zinc/16/69/43/573166943.db2.gz BFDCQUOLIQJSNS-ONEGZZNKSA-N 0 0 163.220 2.267 10 0 AEAERN CC(=O)[C@@H]1COc2cccc(C)c21 258236462 573166975 /nfs/dbraw/zinc/16/69/75/573166975.db2.gz QHDLCIFWGPTFOZ-VIFPVBQESA-N 0 0 176.215 2.060 10 0 AEAERN CCc1csc(Nn2cccc2)n1 85832046 573166978 /nfs/dbraw/zinc/16/69/78/573166978.db2.gz VQKXLVPWZPBMQW-UHFFFAOYSA-N 0 0 193.275 2.382 10 0 AEAERN C/C=C/Cn1cccc1[C@@H](C)O 85833195 573166996 /nfs/dbraw/zinc/16/69/96/573166996.db2.gz KJKREYVIPSSJIP-CDAZIORVSA-N 0 0 165.236 2.118 10 0 AEAERN CCC(=O)OCc1cc(C)oc1C 308289376 573168048 /nfs/dbraw/zinc/16/80/48/573168048.db2.gz GCSCBSRIHKPXRK-UHFFFAOYSA-N 0 0 182.219 2.350 10 0 AEAERN CC[C@H](C)C(=O)C(F)(F)F 82717256 573167001 /nfs/dbraw/zinc/16/70/01/573167001.db2.gz KMBBIOJICYHJRQ-BYPYZUCNSA-N 0 0 154.131 2.164 10 0 AEAERN CCOC[C@H](O)[C@H]1CC2CCC1CC2 308511418 573167011 /nfs/dbraw/zinc/16/70/11/573167011.db2.gz JZIKAOUQJXXJRI-QQFIATSDSA-N 0 0 198.306 2.210 10 0 AEAERN Cc1cccc(Nn2cccc2)n1 85832298 573167156 /nfs/dbraw/zinc/16/71/56/573167156.db2.gz VXESZKVKZLDIFJ-UHFFFAOYSA-N 0 0 173.219 2.067 10 0 AEAERN Cc1sc(CCO)nc1C1CCC1 259351792 573167185 /nfs/dbraw/zinc/16/71/85/573167185.db2.gz UGWJUZRJKRQHNA-UHFFFAOYSA-N 0 0 197.303 2.254 10 0 AEAERN CC(C)Cn1ccc([C@H](C)O)c1 85834117 573167195 /nfs/dbraw/zinc/16/71/95/573167195.db2.gz OREMAOGQRQOOSP-VIFPVBQESA-N 0 0 167.252 2.197 10 0 AEAERN Cc1csc(Nn2cccc2)n1 85832190 573167201 /nfs/dbraw/zinc/16/72/01/573167201.db2.gz UTJGVVPGQCGFSC-UHFFFAOYSA-N 0 0 179.248 2.128 10 0 AEAERN CCC(CC)OCn1cccc1CO 308512215 573168057 /nfs/dbraw/zinc/16/80/57/573168057.db2.gz SRFZIWSWPQXKSO-UHFFFAOYSA-N 0 0 197.278 2.143 10 0 AEAERN CCc1cc(O)cc(CC(C)=O)c1 258062192 573168059 /nfs/dbraw/zinc/16/80/59/573168059.db2.gz SQRCYBZBNTVBRI-UHFFFAOYSA-N 0 0 178.231 2.086 10 0 AEAERN Cc1ccc(C)n1Nc1ccccn1 85832392 573167261 /nfs/dbraw/zinc/16/72/61/573167261.db2.gz LUILTOXUOHNBKG-UHFFFAOYSA-N 0 0 187.246 2.375 10 0 AEAERN CC(=O)c1ccn(C/C=C/Cl)c1 85832859 573167342 /nfs/dbraw/zinc/16/73/42/573167342.db2.gz LVAHXUWYRBPRBN-DUXPYHPUSA-N 0 0 183.638 2.443 10 0 AEAERN C/C=C/CCNC(=O)C(C)=C(C)C 308289689 573167361 /nfs/dbraw/zinc/16/73/61/573167361.db2.gz GGOXZPDMKUQWOB-AATRIKPKSA-N 0 0 181.279 2.425 10 0 AEAERN CSC[C@H](C)N(C)c1ccccn1 308289319 573167383 /nfs/dbraw/zinc/16/73/83/573167383.db2.gz CRWYEZHPYBDBBS-VIFPVBQESA-N 0 0 196.319 2.269 10 0 AEAERN CCC(=O)OCCOCCC(C)C 308289717 573167417 /nfs/dbraw/zinc/16/74/17/573167417.db2.gz GINDGAPHKCQJEO-UHFFFAOYSA-N 0 0 188.267 2.002 10 0 AEAERN Cc1ccc(C)n1NCC1CCC1 85831213 573167426 /nfs/dbraw/zinc/16/74/26/573167426.db2.gz PHQCGJBEGOMCGQ-UHFFFAOYSA-N 0 0 178.279 2.449 10 0 AEAERN C/C=C/C(=O)N(CC1CC1)CC1CC1 82713303 573167491 /nfs/dbraw/zinc/16/74/91/573167491.db2.gz FTWCRBFLPTWRNL-NSCUHMNNSA-N 0 0 193.290 2.211 10 0 AEAERN FCCCCNc1noc(C2CC2)n1 308512853 573167512 /nfs/dbraw/zinc/16/75/12/573167512.db2.gz KYSUYOVRJBCBKP-UHFFFAOYSA-N 0 0 199.229 2.109 10 0 AEAERN CCO[C@H]1C[C@@H]1C(=O)C1CCCC1 689928009 573167544 /nfs/dbraw/zinc/16/75/44/573167544.db2.gz YAHUIKFDPIXTTA-UWVGGRQHSA-N 0 0 182.263 2.171 10 0 AEAERN CCO[C@H]1C[C@H]1C(=O)C1CCCC1 689928079 573167553 /nfs/dbraw/zinc/16/75/53/573167553.db2.gz YAHUIKFDPIXTTA-ZJUUUORDSA-N 0 0 182.263 2.171 10 0 AEAERN CC[C@H](C(N)=O)c1cc(C)ccc1C 238303181 573168087 /nfs/dbraw/zinc/16/80/87/573168087.db2.gz OXJKXPOMYGSHGM-JTQLQIEISA-N 0 0 191.274 2.282 10 0 AEAERN C/C=C/COC(=O)c1csc(C)n1 308289705 573167629 /nfs/dbraw/zinc/16/76/29/573167629.db2.gz GHSSRIFZKJJOSL-ONEGZZNKSA-N 0 0 197.259 2.184 10 0 AEAERN C[C@H](O)[C@@H](F)CC(C)(C)C 258567489 573167666 /nfs/dbraw/zinc/16/76/66/573167666.db2.gz RHFVKVANTLNUSA-BQBZGAKWSA-N 0 0 148.221 2.142 10 0 AEAERN CC(C)C(C)(C)[C@@H](C)O 115209312 573167671 /nfs/dbraw/zinc/16/76/71/573167671.db2.gz BOBYQFFCQPQLOB-SSDOTTSWSA-N 0 0 130.231 2.049 10 0 AEAERN Clc1cccnc1Nn1cccc1 85832229 573167685 /nfs/dbraw/zinc/16/76/85/573167685.db2.gz CSLNFMPEQZNGQQ-UHFFFAOYSA-N 0 0 193.637 2.412 10 0 AEAERN CC(C)CCC(F)(F)CO 258563840 573167719 /nfs/dbraw/zinc/16/77/19/573167719.db2.gz QTOJFFGAQOGWMO-UHFFFAOYSA-N 0 0 152.184 2.050 10 0 AEAERN C/C=C/CN[C@H](C)c1nnc(C)s1 308300433 573167735 /nfs/dbraw/zinc/16/77/35/573167735.db2.gz LRDWUMUVDMAIKC-SMMXGFFBSA-N 0 0 197.307 2.073 10 0 AEAERN CNC(=O)Oc1ccc2ccoc2c1 238302959 573167754 /nfs/dbraw/zinc/16/77/54/573167754.db2.gz JWDZIZPFYXRLBH-UHFFFAOYSA-N 0 0 191.186 2.151 10 0 AEAERN CC[C@]1(C)CCC(=O)C(C)(C)O1 238303533 573167773 /nfs/dbraw/zinc/16/77/73/573167773.db2.gz TXSPOTDLWJIJPD-SNVBAGLBSA-N 0 0 170.252 2.313 10 0 AEAERN C/C=C/C(=O)N1CCCCC[C@H]1C 82707790 573167796 /nfs/dbraw/zinc/16/77/96/573167796.db2.gz CYLPXQZALHUTTG-KFEJWOFMSA-N 0 0 181.279 2.354 10 0 AEAERN CC(C)Cn1cccc1[C@@H](C)O 85833396 573167819 /nfs/dbraw/zinc/16/78/19/573167819.db2.gz QPCVUJRBLOZAPK-SECBINFHSA-N 0 0 167.252 2.197 10 0 AEAERN Cc1ccc(Nn2cccc2)nc1 85832182 573167856 /nfs/dbraw/zinc/16/78/56/573167856.db2.gz WBSICPADUFPBAI-UHFFFAOYSA-N 0 0 173.219 2.067 10 0 AEAERN C[C@@H](F)c1ccccc1OCCCO 258236651 573167879 /nfs/dbraw/zinc/16/78/79/573167879.db2.gz ZYAHSAYLSDBKQS-SECBINFHSA-N 0 0 198.237 2.478 10 0 AEAERN CC(C)C(=O)N1CC[C@@H](C)C[C@@H]1C 82738151 573167958 /nfs/dbraw/zinc/16/79/58/573167958.db2.gz SDLUOGSNBFQRJH-ZJUUUORDSA-N 0 0 183.295 2.289 10 0 AEAERN CSCCc1nnc(C2CCC2)o1 308290298 573168000 /nfs/dbraw/zinc/16/80/00/573168000.db2.gz DKCWVLDEKYSDKD-UHFFFAOYSA-N 0 0 198.291 2.243 10 0 AEAERN C=Cc1coc2ccccc2c1=O 115239186 573168022 /nfs/dbraw/zinc/16/80/22/573168022.db2.gz HJQSBBXDHGXBOE-UHFFFAOYSA-N 0 0 172.183 2.436 10 0 AEAERN C[C@H](F)c1ccncc1F 258567284 573168388 /nfs/dbraw/zinc/16/83/88/573168388.db2.gz RFZHWTARLBPIRZ-YFKPBYRVSA-N 0 0 143.136 2.251 10 0 AEAERN Cc1ccnc(Nn2cccc2)c1 85832038 573168458 /nfs/dbraw/zinc/16/84/58/573168458.db2.gz ICENTEFXLVXZAB-UHFFFAOYSA-N 0 0 173.219 2.067 10 0 AEAERN C/C=C/Cn1ccc([C@@H](C)O)c1 85833885 573168561 /nfs/dbraw/zinc/16/85/61/573168561.db2.gz VWXIUWNWFHLXPZ-CDAZIORVSA-N 0 0 165.236 2.118 10 0 AEAERN CCc1oc(N)nc1-c1ccco1 258564612 573168701 /nfs/dbraw/zinc/16/87/01/573168701.db2.gz KLHZKNPKKIWMJV-UHFFFAOYSA-N 0 0 178.191 2.079 10 0 AEAERN C[C@H](O)[C@H](F)CC(C)(C)C 258567502 573168730 /nfs/dbraw/zinc/16/87/30/573168730.db2.gz RHFVKVANTLNUSA-NKWVEPMBSA-N 0 0 148.221 2.142 10 0 AEAERN CNC(=O)Oc1ccc2occc2c1 238302998 573168732 /nfs/dbraw/zinc/16/87/32/573168732.db2.gz OJSILIYSWCKPIT-UHFFFAOYSA-N 0 0 191.186 2.151 10 0 AEAERN COc1ccc(/C=C(\C)CO)cc1C 211894619 573168758 /nfs/dbraw/zinc/16/87/58/573168758.db2.gz GUXGJCZXZOYMKT-RMKNXTFCSA-N 0 0 192.258 2.399 10 0 AEAERN CC1(COC(=O)c2ccco2)CC1 308289109 573168772 /nfs/dbraw/zinc/16/87/72/573168772.db2.gz GAQSYYJGSNBSHE-UHFFFAOYSA-N 0 0 180.203 2.237 10 0 AEAERN COc1cc(N)c(C(C)C)cc1OC 115232854 573168800 /nfs/dbraw/zinc/16/88/00/573168800.db2.gz KIDLHHJVRHOUOT-UHFFFAOYSA-N 0 0 195.262 2.409 10 0 AEAERN CC(C)Cn1cccc1[C@H](C)O 85833397 573168828 /nfs/dbraw/zinc/16/88/28/573168828.db2.gz QPCVUJRBLOZAPK-VIFPVBQESA-N 0 0 167.252 2.197 10 0 AEAERN C/C=C/Cn1cccc1[C@H](C)O 85833197 573168860 /nfs/dbraw/zinc/16/88/60/573168860.db2.gz KJKREYVIPSSJIP-NWALNABHSA-N 0 0 165.236 2.118 10 0 AEAERN C[C@@H](F)c1ccncc1F 258567283 573168904 /nfs/dbraw/zinc/16/89/04/573168904.db2.gz RFZHWTARLBPIRZ-RXMQYKEDSA-N 0 0 143.136 2.251 10 0 AEAERN CCc1cccc([C@@H](C)CO)c1 238303164 573168906 /nfs/dbraw/zinc/16/89/06/573168906.db2.gz BYQQENWLQCDJCN-VIFPVBQESA-N 0 0 164.248 2.345 10 0 AEAERN CNc1cccc(N(C)C2CC2)c1 259351124 573168911 /nfs/dbraw/zinc/16/89/11/573168911.db2.gz TVKFRJBCTFODRR-UHFFFAOYSA-N 0 0 176.263 2.327 10 0 AEAERN Clc1ccc(Nn2cccc2)nc1 85832052 573168931 /nfs/dbraw/zinc/16/89/31/573168931.db2.gz GKKHRYREJKLSFH-UHFFFAOYSA-N 0 0 193.637 2.412 10 0 AEAERN CCc1cccc(CC)c1C(=O)NC 238298466 573168938 /nfs/dbraw/zinc/16/89/38/573168938.db2.gz UCTAKNFMYLMKSJ-UHFFFAOYSA-N 0 0 191.274 2.171 10 0 AEAERN CCOC[C@@H](O)[C@@H]1CC2CCC1CC2 308511416 573169008 /nfs/dbraw/zinc/16/90/08/573169008.db2.gz JZIKAOUQJXXJRI-KIDURHIOSA-N 0 0 198.306 2.210 10 0 AEAERN C[C@@H](O)c1ccn(CC(F)(F)F)c1 85833852 573169037 /nfs/dbraw/zinc/16/90/37/573169037.db2.gz MGPJSTOONNJJIX-ZCFIWIBFSA-N 0 0 193.168 2.104 10 0 AEAERN CCONC(=O)/C(C)=C/C(C)(C)C 308289256 573169044 /nfs/dbraw/zinc/16/90/44/573169044.db2.gz CPJOJQDDEGGHBU-BQYQJAHWSA-N 0 0 185.267 2.047 10 0 AEAERN C[C@@H](O)c1ccn(C/C=C/Cl)c1 85834393 573169146 /nfs/dbraw/zinc/16/91/46/573169146.db2.gz NNQKGFLXRLIULC-BYDTYLDUSA-N 0 0 185.654 2.294 10 0 AEAERN C[C@H](O)c1ccn(CC(F)(F)F)c1 85833851 573169158 /nfs/dbraw/zinc/16/91/58/573169158.db2.gz MGPJSTOONNJJIX-LURJTMIESA-N 0 0 193.168 2.104 10 0 AEAERN CC(=O)c1ccn(C(F)F)c1 85832845 573169179 /nfs/dbraw/zinc/16/91/79/573169179.db2.gz KSGVCOHZDAQDQA-UHFFFAOYSA-N 0 0 159.135 2.086 10 0 AEAERN CCSc1cc(O)ccc1N 238298400 573169203 /nfs/dbraw/zinc/16/92/03/573169203.db2.gz UCLIMFOSEVRUBH-UHFFFAOYSA-N 0 0 169.249 2.086 10 0 AEAERN CC(C)Cn1ccc([C@@H](C)O)c1 85834114 573169380 /nfs/dbraw/zinc/16/93/80/573169380.db2.gz OREMAOGQRQOOSP-SECBINFHSA-N 0 0 167.252 2.197 10 0 AEAERN CCn1cnc2c(C)cc(C)nc21 238303748 573169261 /nfs/dbraw/zinc/16/92/61/573169261.db2.gz OGJPJCDFMXQOSJ-UHFFFAOYSA-N 0 0 175.235 2.068 10 0 AEAERN CC(C)C(C)(C)[C@H](C)O 115209315 573169275 /nfs/dbraw/zinc/16/92/75/573169275.db2.gz BOBYQFFCQPQLOB-ZETCQYMHSA-N 0 0 130.231 2.049 10 0 AEAERN CCC[C@H](O)CCC[C@@H](O)CCC 219061896 573169300 /nfs/dbraw/zinc/16/93/00/573169300.db2.gz SCKCYZPKJRGGEU-QWRGUYRKSA-N 0 0 188.311 2.479 10 0 AEAERN CSC[C@@H](C)N(C)c1ccccn1 308289317 573169303 /nfs/dbraw/zinc/16/93/03/573169303.db2.gz CRWYEZHPYBDBBS-SECBINFHSA-N 0 0 196.319 2.269 10 0 AEAERN Fc1cccc2c1OCC1(CC1)CN2 259352309 573169319 /nfs/dbraw/zinc/16/93/19/573169319.db2.gz UJUDNOVVLSLDAP-UHFFFAOYSA-N 0 0 193.221 2.410 10 0 AEAERN CCc1ccn2cncc2c1F 238298523 573169330 /nfs/dbraw/zinc/16/93/30/573169330.db2.gz CWFWUFDTHNWMOG-UHFFFAOYSA-N 0 0 164.183 2.036 10 0 AEAERN C/C=C/Cn1ccc([C@H](C)O)c1 85833886 573169348 /nfs/dbraw/zinc/16/93/48/573169348.db2.gz VWXIUWNWFHLXPZ-NWALNABHSA-N 0 0 165.236 2.118 10 0 AEAERN C[C@H](O)c1cccn1C/C=C/Cl 85833585 573169361 /nfs/dbraw/zinc/16/93/61/573169361.db2.gz VZQLZKBQYYKPDR-WGAJWPLOSA-N 0 0 185.654 2.294 10 0 AEAERN CCOc1ccncc1CCC(C)=O 308508293 573170238 /nfs/dbraw/zinc/17/02/38/573170238.db2.gz QPIFOFBAYBSVRA-UHFFFAOYSA-N 0 0 193.246 2.002 10 0 AEAERN Cc1cccnc1Nn1cccc1 85832099 573170153 /nfs/dbraw/zinc/17/01/53/573170153.db2.gz KHIDFWNHSRDXBH-UHFFFAOYSA-N 0 0 173.219 2.067 10 0 AEAERN Cc1ccc(C)n1Nc1nccs1 85832355 573169587 /nfs/dbraw/zinc/16/95/87/573169587.db2.gz BSJJXPUWSQNJIQ-UHFFFAOYSA-N 0 0 193.275 2.437 10 0 AEAERN CC(=O)c1cccn1CC(F)(F)F 85832578 573169601 /nfs/dbraw/zinc/16/96/01/573169601.db2.gz PVODHNBSROFCRV-UHFFFAOYSA-N 0 0 191.152 2.253 10 0 AEAERN O=C(NC1CC1)OC1CCCCC1 225526186 573170155 /nfs/dbraw/zinc/17/01/55/573170155.db2.gz TXGKUBFOORPYOW-UHFFFAOYSA-N 0 0 183.251 2.208 10 0 AEAERN [S-]c1cccc([C@@H]2CC[NH2+]2)c1 104676999 573169602 /nfs/dbraw/zinc/16/96/02/573169602.db2.gz BTBUIUWEWCAGFK-VIFPVBQESA-N 0 0 165.261 2.010 10 0 AEAERN O=c1ccc2cc(O)c(Cl)[nH]c-2c1 258237847 573170156 /nfs/dbraw/zinc/17/01/56/573170156.db2.gz LHEBHWVKFGMFOM-UHFFFAOYSA-N 0 0 195.605 2.299 10 0 AEAERN Cc1cccc(C2(O)CCCC2)c1O 259352689 573169657 /nfs/dbraw/zinc/16/96/57/573169657.db2.gz FHPUHUCIYZIYQA-UHFFFAOYSA-N 0 0 192.258 2.462 10 0 AEAERN CC(C)C=CC=O 211580588 573169675 /nfs/dbraw/zinc/16/96/75/573169675.db2.gz SJLSPBPWJQAVPK-HWKANZROSA-N 0 0 98.145 2.024 10 0 AEAERN C[C@H](O)c1ccn(C/C=C/Cl)c1 85834391 573169792 /nfs/dbraw/zinc/16/97/92/573169792.db2.gz NNQKGFLXRLIULC-KHVHVRLGSA-N 0 0 185.654 2.294 10 0 AEAERN C[C@@H](O)[C@@H](F)c1ccccc1F 257957764 573169799 /nfs/dbraw/zinc/16/97/99/573169799.db2.gz XDFZSMWFKQWIIY-HZGVNTEJSA-N 0 0 172.174 2.217 10 0 AEAERN C/C=C/Cn1ccc(C(C)=O)c1 85832777 573169801 /nfs/dbraw/zinc/16/98/01/573169801.db2.gz ILJHMXARTRBWNH-ONEGZZNKSA-N 0 0 163.220 2.267 10 0 AEAERN CS/C=C/C(=O)OCc1ccco1 308291635 573169831 /nfs/dbraw/zinc/16/98/31/573169831.db2.gz FKGRZCHXGJXKBS-GQCTYLIASA-N 0 0 198.243 2.200 10 0 AEAERN CCCc1nc(SC2CCC2)n[nH]1 308291515 573169866 /nfs/dbraw/zinc/16/98/66/573169866.db2.gz JGTPRABVCUUCPM-UHFFFAOYSA-N 0 0 197.307 2.402 10 0 AEAERN CCO[C@@H]1C[C@@H]1C(=O)C1CCCC1 689928012 573169888 /nfs/dbraw/zinc/16/98/88/573169888.db2.gz YAHUIKFDPIXTTA-VHSXEESVSA-N 0 0 182.263 2.171 10 0 AEAERN CCOc1ccc(N(C)C#N)cc1 259351157 573169896 /nfs/dbraw/zinc/16/98/96/573169896.db2.gz TWHFTPLLWQNGFG-UHFFFAOYSA-N 0 0 176.219 2.003 10 0 AEAERN CCO[C@@H]1C[C@H]1C(=O)C1CCCC1 689928005 573169923 /nfs/dbraw/zinc/16/99/23/573169923.db2.gz YAHUIKFDPIXTTA-NXEZZACHSA-N 0 0 182.263 2.171 10 0 AEAERN CCc1ccn2c(N)cnc2c1Cl 238298349 573169937 /nfs/dbraw/zinc/16/99/37/573169937.db2.gz XSMDYRUQYBRCHU-UHFFFAOYSA-N 0 0 195.653 2.132 10 0 AEAERN CC(C)(F)c1ccccc1CCON 257958127 573169974 /nfs/dbraw/zinc/16/99/74/573169974.db2.gz BLZZXKYLWHNPFL-UHFFFAOYSA-N 0 0 197.253 2.324 10 0 AEAERN CC(=O)c1ccn(CC(F)(F)F)c1 85832882 573170009 /nfs/dbraw/zinc/17/00/09/573170009.db2.gz QGOBLTLDMOEROA-UHFFFAOYSA-N 0 0 191.152 2.253 10 0 AEAERN CCc1c(O)ccc2oc(=O)sc12 238303149 573170039 /nfs/dbraw/zinc/17/00/39/573170039.db2.gz NMOTWTSQVYEEET-UHFFFAOYSA-N 0 0 196.227 2.123 10 0 AEAERN C/C=C/C(=O)OCc1csc(C)n1 308290502 573170108 /nfs/dbraw/zinc/17/01/08/573170108.db2.gz GULZTGDDWNLUFW-ONEGZZNKSA-N 0 0 197.259 2.071 10 0 AEAERN Cc1oc(C=O)nc1C(C)(C)C 258567285 573170452 /nfs/dbraw/zinc/17/04/52/573170452.db2.gz RGBDFWMTJDGXEL-UHFFFAOYSA-N 0 0 167.208 2.093 10 0 AEAERN Cc1cc(F)c(F)cc1C[C@@H](C)O 257958192 573170454 /nfs/dbraw/zinc/17/04/54/573170454.db2.gz BOMPQNKGVIHSKC-SSDOTTSWSA-N 0 0 186.201 2.197 10 0 AEAERN c1cnc2ccc3n[nH]cc3c2c1 104675932 573170466 /nfs/dbraw/zinc/17/04/66/573170466.db2.gz TUWAZKGQESCABO-UHFFFAOYSA-N 0 0 169.187 2.111 10 0 AEAERN C[C@@H](O)c1cccn1C/C=C/Cl 85833587 573170513 /nfs/dbraw/zinc/17/05/13/573170513.db2.gz VZQLZKBQYYKPDR-RYEJSQLPSA-N 0 0 185.654 2.294 10 0 AEAERN COc1cc(CON)ccc1C(C)C 257958196 573170574 /nfs/dbraw/zinc/17/05/74/573170574.db2.gz BOMXTCQFORZBFU-UHFFFAOYSA-N 0 0 195.262 2.209 10 0 AEAERN CC[C@H](CCO)[C@H]1C=CCC1 238303254 573170597 /nfs/dbraw/zinc/17/05/97/573170597.db2.gz QYXPIKYHOYGYLR-ZJUUUORDSA-N 0 0 154.253 2.361 10 0 AEAERN CCc1ccc(NCCCO)cc1F 308508816 573170601 /nfs/dbraw/zinc/17/06/01/573170601.db2.gz JXNRQUKFQZKUGM-UHFFFAOYSA-N 0 0 197.253 2.182 10 0 AEAERN C[C@@H](O)c1cccn1CC(F)(F)F 85833165 573170626 /nfs/dbraw/zinc/17/06/26/573170626.db2.gz ROINZQZWDGVVSH-ZCFIWIBFSA-N 0 0 193.168 2.104 10 0 AEAERN C[C@H](O)[C@H]1CC[C@@H](C)C1(C)C 115176529 573170647 /nfs/dbraw/zinc/17/06/47/573170647.db2.gz JMXZLWGJVDCQPR-HRDYMLBCSA-N 0 0 156.269 2.440 10 0 AEAERN C[C@H](O)[C@@H](F)c1ccccc1F 257957768 573170652 /nfs/dbraw/zinc/17/06/52/573170652.db2.gz XDFZSMWFKQWIIY-IMTBSYHQSA-N 0 0 172.174 2.217 10 0 AEAERN CS/C=C\C(=O)N1CC[C@@H]1C(C)C 308291293 573171091 /nfs/dbraw/zinc/17/10/91/573171091.db2.gz FBRPFINCXMSQKC-WILPJHFFSA-N 0 0 199.319 2.120 10 0 AEAERN CC[C@@H]1C(=O)Cc2ccccc21 238298697 573171097 /nfs/dbraw/zinc/17/10/97/573171097.db2.gz ARVZHNOQGGTQSX-VIFPVBQESA-N 0 0 160.216 2.305 10 0 AEAERN CC[C@H](CCO)[C@@H]1C=CCC1 238303284 573171236 /nfs/dbraw/zinc/17/12/36/573171236.db2.gz QYXPIKYHOYGYLR-NXEZZACHSA-N 0 0 154.253 2.361 10 0 AEAERN CCC[C@H](C)[C@@H](O)CCOCC 233339431 573171241 /nfs/dbraw/zinc/17/12/41/573171241.db2.gz AGZSJLSHEJJLML-UWVGGRQHSA-N 0 0 174.284 2.210 10 0 AEAERN CC[C@H](CCO)c1ccco1 238303417 573171274 /nfs/dbraw/zinc/17/12/74/573171274.db2.gz HAJJJAKLLGYGET-MRVPVSSYSA-N 0 0 154.209 2.156 10 0 AEAERN CN[C@@H]([C@H]1CC=CCC1)C(F)(F)F 104678099 573171358 /nfs/dbraw/zinc/17/13/58/573171358.db2.gz MTCSYOIJYDHVJN-YUMQZZPRSA-N 0 0 193.212 2.493 10 0 AEAERN Cc1cc(C)c([C@@H](C)[NH3+])cc1C(=O)[O-] 104675591 573171479 /nfs/dbraw/zinc/17/14/79/573171479.db2.gz OEAMXULBEIZCFE-MRVPVSSYSA-N 0 0 193.246 2.021 10 0 AEAERN CC[C@H](O)C(=O)C1(C)CCCCC1 238303395 573171484 /nfs/dbraw/zinc/17/14/84/573171484.db2.gz SMFZFXBFFMLCPB-VIFPVBQESA-N 0 0 184.279 2.297 10 0 AEAERN Cc1cc(C)c([C@H](C)[NH3+])cc1C(=O)[O-] 104678146 573171597 /nfs/dbraw/zinc/17/15/97/573171597.db2.gz OEAMXULBEIZCFE-QMMMGPOBSA-N 0 0 193.246 2.021 10 0 AEAERN CC[C@@H]([NH3+])c1cccc([S-])c1 104676081 573171606 /nfs/dbraw/zinc/17/16/06/573171606.db2.gz KTKZQEBPVNTEJJ-SECBINFHSA-N 0 0 167.277 2.385 10 0 AEAERN O=c1[nH]c(C2CCCCC2)co1 258565547 573171635 /nfs/dbraw/zinc/17/16/35/573171635.db2.gz RDFDJNHIZDIMRD-UHFFFAOYSA-N 0 0 167.208 2.428 10 0 AEAERN O[C@H](c1ccn(C(F)F)c1)C1CC1 85845153 573171690 /nfs/dbraw/zinc/17/16/90/573171690.db2.gz CZWOIEKIGPUZOB-QMMMGPOBSA-N 0 0 187.189 2.327 10 0 AEAERN CC(C)(C)COC(=O)c1cncs1 308290932 573171864 /nfs/dbraw/zinc/17/18/64/573171864.db2.gz IADPFRWENAHVAH-UHFFFAOYSA-N 0 0 199.275 2.346 10 0 AEAERN CCOc1cc(NCCF)ccc1N 308508194 573171903 /nfs/dbraw/zinc/17/19/03/573171903.db2.gz ATWSQDFPMBDDMB-UHFFFAOYSA-N 0 0 198.241 2.049 10 0 AEAERN CN[C@H]([C@H]1CC=CCC1)C(F)(F)F 104678101 573173532 /nfs/dbraw/zinc/17/35/32/573173532.db2.gz MTCSYOIJYDHVJN-JGVFFNPUSA-N 0 0 193.212 2.493 10 0 AEAERN CC[C@@H](O)c1ccn(C(F)F)c1 85839335 573172003 /nfs/dbraw/zinc/17/20/03/573172003.db2.gz GGXOHIZMQOSNMA-SSDOTTSWSA-N 0 0 175.178 2.327 10 0 AEAERN CCn1ccc([C@@H](O)C(C)C)c1 85842927 573172059 /nfs/dbraw/zinc/17/20/59/573172059.db2.gz CAZVIPLPEIYKHM-JTQLQIEISA-N 0 0 167.252 2.197 10 0 AEAERN NNc1csc(-c2cccs2)n1 259354219 573172255 /nfs/dbraw/zinc/17/22/55/573172255.db2.gz QDCVLDPTWYHTLP-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN c1ccc(SCNC2CC2)cc1 259354232 573172262 /nfs/dbraw/zinc/17/22/62/573172262.db2.gz YYCSPUOXNSAUJS-UHFFFAOYSA-N 0 0 179.288 2.488 10 0 AEAERN CCn1ccc(C(=O)C2CC2)c1 85844446 573172290 /nfs/dbraw/zinc/17/22/90/573172290.db2.gz MGOVYPMVFGVLHV-UHFFFAOYSA-N 0 0 163.220 2.101 10 0 AEAERN C[C@@H](O)[C@H](F)c1ccccc1F 257957770 573172359 /nfs/dbraw/zinc/17/23/59/573172359.db2.gz XDFZSMWFKQWIIY-MUWHJKNJSA-N 0 0 172.174 2.217 10 0 AEAERN C/C=C/CCNC(=O)[C@@H](C)C1CC1 128972303 573172383 /nfs/dbraw/zinc/17/23/83/573172383.db2.gz AHMJAXQUSKGMQW-NWALNABHSA-N 0 0 181.279 2.115 10 0 AEAERN CCc1cc(F)c(F)c(CCO)c1 257958216 573172407 /nfs/dbraw/zinc/17/24/07/573172407.db2.gz BPKKKFYPEJMVHL-UHFFFAOYSA-N 0 0 186.201 2.062 10 0 AEAERN COC(C)(C)c1cccc(CCO)c1 259355760 573172423 /nfs/dbraw/zinc/17/24/23/573172423.db2.gz GOXUSENDPXSHGD-UHFFFAOYSA-N 0 0 194.274 2.103 10 0 AEAERN Nc1cc(-c2cc3ccccc3[nH]2)on1 257958007 573172466 /nfs/dbraw/zinc/17/24/66/573172466.db2.gz CTWNAYRYPSBHAA-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN c1cc2cnsc2s1 104676848 573172498 /nfs/dbraw/zinc/17/24/98/573172498.db2.gz URIDZSMHANAERU-UHFFFAOYSA-N 0 0 141.220 2.358 10 0 AEAERN CCCCCC[C@H](NN)[C@H]1C[C@H]1C 253015308 573172551 /nfs/dbraw/zinc/17/25/51/573172551.db2.gz VBQDMDCNGXESBB-VWYCJHECSA-N 0 0 184.327 2.445 10 0 AEAERN c1ccc2c3c(cnc2c1)CC3 104675921 573172619 /nfs/dbraw/zinc/17/26/19/573172619.db2.gz ICQLDKVOEQITGA-UHFFFAOYSA-N 0 0 155.200 2.333 10 0 AEAERN Cc1ncc([C@@]2(O)CCC2(C)C)s1 642858740 573172695 /nfs/dbraw/zinc/17/26/95/573172695.db2.gz NQYHSIOTQQRVAP-JTQLQIEISA-N 0 0 196.295 2.347 10 0 AEAERN C[C@@H]1C=Cc2ccccc2O1 104675963 573172702 /nfs/dbraw/zinc/17/27/02/573172702.db2.gz ZUTQBIIKJALUQO-MRVPVSSYSA-N 0 0 146.189 2.481 10 0 AEAERN O[C@@H](c1ccn(C(F)F)c1)C1CC1 85845151 573172723 /nfs/dbraw/zinc/17/27/23/573172723.db2.gz CZWOIEKIGPUZOB-MRVPVSSYSA-N 0 0 187.189 2.327 10 0 AEAERN CCc1cccc2c1CC(=O)CC2 238304765 573172760 /nfs/dbraw/zinc/17/27/60/573172760.db2.gz GMAIOJMWMYBWCU-UHFFFAOYSA-N 0 0 174.243 2.307 10 0 AEAERN C[C@@H](O)[C@H]1CNc2cccc(Cl)c21 258237768 573172779 /nfs/dbraw/zinc/17/27/79/573172779.db2.gz WXDGBIHNVUPEKO-RNFRBKRXSA-N 0 0 197.665 2.230 10 0 AEAERN Cc1ncc([C@]2(O)CCC2(C)C)s1 642858741 573172783 /nfs/dbraw/zinc/17/27/83/573172783.db2.gz NQYHSIOTQQRVAP-SNVBAGLBSA-N 0 0 196.295 2.347 10 0 AEAERN C=Cc1cccc(N)c1C 115287330 573172824 /nfs/dbraw/zinc/17/28/24/573172824.db2.gz BHRVYDQINLHBPC-UHFFFAOYSA-N 0 0 133.194 2.220 10 0 AEAERN C[C@H](O)[C@H]1CNc2cccc(Cl)c21 258237764 573172842 /nfs/dbraw/zinc/17/28/42/573172842.db2.gz WXDGBIHNVUPEKO-NKWVEPMBSA-N 0 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181.235 2.075 10 0 AEAERN CC[C@H]([NH3+])c1cccc([S-])c1 104676077 573173003 /nfs/dbraw/zinc/17/30/03/573173003.db2.gz KTKZQEBPVNTEJJ-VIFPVBQESA-N 0 0 167.277 2.385 10 0 AEAERN [NH3+][C@H](c1cccc([S-])c1)C1CC1 104676109 573173016 /nfs/dbraw/zinc/17/30/16/573173016.db2.gz JCVAKIZPJPLYHC-JTQLQIEISA-N 0 0 179.288 2.385 10 0 AEAERN CCCCCC[C@H](C)NO 115274643 573173036 /nfs/dbraw/zinc/17/30/36/573173036.db2.gz WWGMVXMCPXKXOG-QMMMGPOBSA-N 0 0 145.246 2.324 10 0 AEAERN CC[C@H]1CCC[C@@H](NC=O)CC1 238304699 573173054 /nfs/dbraw/zinc/17/30/54/573173054.db2.gz DSCOUBDVJVRHLI-VHSXEESVSA-N 0 0 169.268 2.091 10 0 AEAERN [NH3+][C@@H](c1cccc([S-])c1)C1CC1 104676106 573173058 /nfs/dbraw/zinc/17/30/58/573173058.db2.gz JCVAKIZPJPLYHC-SNVBAGLBSA-N 0 0 179.288 2.385 10 0 AEAERN CCCCCC[C@@H](C)NO 115274641 573173059 /nfs/dbraw/zinc/17/30/59/573173059.db2.gz WWGMVXMCPXKXOG-MRVPVSSYSA-N 0 0 145.246 2.324 10 0 AEAERN COc1ccc(C2(C)COC2)cc1F 258568454 573173466 /nfs/dbraw/zinc/17/34/66/573173466.db2.gz 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/nfs/dbraw/zinc/17/36/85/573173685.db2.gz YYSNVPUJKMABOE-UHFFFAOYSA-N 0 0 156.181 2.108 10 0 AEAERN C/C=C\C(=O)OCc1csc(C)n1 308290501 573173726 /nfs/dbraw/zinc/17/37/26/573173726.db2.gz GULZTGDDWNLUFW-ARJAWSKDSA-N 0 0 197.259 2.071 10 0 AEAERN Cc1cc(F)c(F)cc1C[C@H](C)O 257958194 573173859 /nfs/dbraw/zinc/17/38/59/573173859.db2.gz BOMPQNKGVIHSKC-ZETCQYMHSA-N 0 0 186.201 2.197 10 0 AEAERN CO[C@H]1Cc2cc(C)ccc21 258567985 573173866 /nfs/dbraw/zinc/17/38/66/573173866.db2.gz RJRRPQGXXUOAHQ-JTQLQIEISA-N 0 0 148.205 2.239 10 0 AEAERN C[C@H](O)[C@H](F)c1ccccc1F 257957774 573173953 /nfs/dbraw/zinc/17/39/53/573173953.db2.gz XDFZSMWFKQWIIY-RCOVLWMOSA-N 0 0 172.174 2.217 10 0 AEAERN Cc1nc(N)oc1C1CCCC1 258565434 573173970 /nfs/dbraw/zinc/17/39/70/573173970.db2.gz RAWRRLDTTVAMRE-UHFFFAOYSA-N 0 0 166.224 2.223 10 0 AEAERN Cc1ncc([C@H](O)CC2(C)CC2)s1 642858795 573174037 /nfs/dbraw/zinc/17/40/37/573174037.db2.gz PKFLXPKTPRLGBB-MRVPVSSYSA-N 0 0 196.295 2.347 10 0 AEAERN CCn1c[nH+]c2cc([O-])c(F)c(F)c21 238304169 573174268 /nfs/dbraw/zinc/17/42/68/573174268.db2.gz MKYLGTZCKQOQFC-UHFFFAOYSA-N 0 0 198.172 2.040 10 0 AEAERN CCCCOc1cccc(F)n1 40711372 573174151 /nfs/dbraw/zinc/17/41/51/573174151.db2.gz YRJIVZJIMTTZKE-UHFFFAOYSA-N 0 0 169.199 2.400 10 0 AEAERN CC[C@H](C)[C@@](C)(O)C1=S=CN=C1C 642859099 573174187 /nfs/dbraw/zinc/17/41/87/573174187.db2.gz ZTEDNJVLEABAJP-OIBJUYFYSA-N 0 0 199.319 2.268 10 0 AEAERN C[C@H](O)[C@@H]1CNc2cccc(Cl)c21 258237757 573174295 /nfs/dbraw/zinc/17/42/95/573174295.db2.gz WXDGBIHNVUPEKO-BQBZGAKWSA-N 0 0 197.665 2.230 10 0 AEAERN C/C=C(\Br)[C@@H](O)CC 238304636 573174308 /nfs/dbraw/zinc/17/43/08/573174308.db2.gz IEKMWUKCQWDLBQ-LMXCLXGDSA-N 0 0 179.057 2.056 10 0 AEAERN CC[C@H]([NH3+])c1ccc(C(=O)[O-])c(C)c1 104678754 573174379 /nfs/dbraw/zinc/17/43/79/573174379.db2.gz OOQONJYPSTWKCG-JTQLQIEISA-N 0 0 193.246 2.103 10 0 AEAERN CN[C@H]([C@@H]1CC=CCC1)C(F)(F)F 104678107 573174541 /nfs/dbraw/zinc/17/45/41/573174541.db2.gz MTCSYOIJYDHVJN-HTQZYQBOSA-N 0 0 193.212 2.493 10 0 AEAERN CC[C@H](O)c1ccn(C(F)F)c1 85839333 573174394 /nfs/dbraw/zinc/17/43/94/573174394.db2.gz GGXOHIZMQOSNMA-ZETCQYMHSA-N 0 0 175.178 2.327 10 0 AEAERN CCn1nc(C)c2c(Cl)ccnc21 238306715 573174430 /nfs/dbraw/zinc/17/44/30/573174430.db2.gz HPDPVNHBWQCYGN-UHFFFAOYSA-N 0 0 195.653 2.413 10 0 AEAERN CCCN(OC)C(=O)c1ccccc1 308508256 573174461 /nfs/dbraw/zinc/17/44/61/573174461.db2.gz AWEGHWJCBPWJHH-UHFFFAOYSA-N 0 0 193.246 2.100 10 0 AEAERN CN(CCCCO)c1ccc(F)cc1 49965439 573174477 /nfs/dbraw/zinc/17/44/77/573174477.db2.gz GIOPIJXEHSCWHV-UHFFFAOYSA-N 0 0 197.253 2.034 10 0 AEAERN Cc1cc(F)c(NC#N)cc1F 235873777 573174582 /nfs/dbraw/zinc/17/45/82/573174582.db2.gz LPUTXUTWBNVDMA-UHFFFAOYSA-N 0 0 168.146 2.166 10 0 AEAERN CC(C)(O)SC1CCCC1 259354607 573174605 /nfs/dbraw/zinc/17/46/05/573174605.db2.gz ZDCQAEOBPBDQAV-UHFFFAOYSA-N 0 0 160.282 2.391 10 0 AEAERN CCn1ccc(C(=O)C(C)C)c1 85842772 573174611 /nfs/dbraw/zinc/17/46/11/573174611.db2.gz LLWYUFRMNBWKJS-UHFFFAOYSA-N 0 0 165.236 2.347 10 0 AEAERN CNC(=S)[C@H](C)CC(C)C 238304691 573174678 /nfs/dbraw/zinc/17/46/78/573174678.db2.gz GMWBTSPYUZLSII-SSDOTTSWSA-N 0 0 159.298 2.215 10 0 AEAERN ONCc1ccccc1C1CCC1 257959980 573175373 /nfs/dbraw/zinc/17/53/73/573175373.db2.gz GTSSVUDGKAPLCV-UHFFFAOYSA-N 0 0 177.247 2.433 10 0 AEAERN C/C=C/[C@H](C)SC(=O)NC 238303774 573174741 /nfs/dbraw/zinc/17/47/41/573174741.db2.gz AZSJIICUMQVASV-OVCGOVNKSA-N 0 0 159.254 2.024 10 0 AEAERN CCc1occc1[C@H](N)C(F)(F)F 104678670 573174762 /nfs/dbraw/zinc/17/47/62/573174762.db2.gz DGYQRCONSLVWDR-ZETCQYMHSA-N 0 0 193.168 2.404 10 0 AEAERN CCC(=O)c1ccn(CC)c1 85838430 573174800 /nfs/dbraw/zinc/17/48/00/573174800.db2.gz CFPSINLJRCQRIA-UHFFFAOYSA-N 0 0 151.209 2.101 10 0 AEAERN CNC(=S)[C@@H](C)CC(C)C 238303989 573174830 /nfs/dbraw/zinc/17/48/30/573174830.db2.gz GMWBTSPYUZLSII-ZETCQYMHSA-N 0 0 159.298 2.215 10 0 AEAERN CCc1cccc2c1COCC2 238304975 573174835 /nfs/dbraw/zinc/17/48/35/573174835.db2.gz VZMLUTLADZASEK-UHFFFAOYSA-N 0 0 162.232 2.322 10 0 AEAERN CCn1ccc([C@H](O)C(C)C)c1 85842923 573174847 /nfs/dbraw/zinc/17/48/47/573174847.db2.gz CAZVIPLPEIYKHM-SNVBAGLBSA-N 0 0 167.252 2.197 10 0 AEAERN CNC(=S)[C@H](C)Cc1ccccc1 238304703 573174855 /nfs/dbraw/zinc/17/48/55/573174855.db2.gz GMFCOPSWGJVSRZ-SECBINFHSA-N 0 0 193.315 2.412 10 0 AEAERN CC[C@H](O)C1(CC)SCCS1 238305005 573174879 /nfs/dbraw/zinc/17/48/79/573174879.db2.gz GKDUXNAYTAXACL-ZETCQYMHSA-N 0 0 192.349 2.344 10 0 AEAERN Cc1ccc([C@@]2(C)CC(=O)N2)cc1C 82762386 573174883 /nfs/dbraw/zinc/17/48/83/573174883.db2.gz AJFSPXSWRLZZGM-GFCCVEGCSA-N 0 0 189.258 2.039 10 0 AEAERN Nc1cc(F)ccc1CC1CC1 258565577 573174916 /nfs/dbraw/zinc/17/49/16/573174916.db2.gz RDUGCRGAXCOZSR-UHFFFAOYSA-N 0 0 165.211 2.360 10 0 AEAERN CC(=O)[C@@H]1CCc2cccc(C)c2O1 259355491 573175067 /nfs/dbraw/zinc/17/50/67/573175067.db2.gz AEKINMSAADAMRR-NSHDSACASA-N 0 0 190.242 2.278 10 0 AEAERN CS/C=C\C(=O)Oc1ccccc1 308293310 573175138 /nfs/dbraw/zinc/17/51/38/573175138.db2.gz GLMILWZEZDWGLS-FPLPWBNLSA-N 0 0 194.255 2.469 10 0 AEAERN Cc1cc(-c2nc(O)c[nH]2)ccc1F 235875439 573175141 /nfs/dbraw/zinc/17/51/41/573175141.db2.gz RDOKTDUZJWRGJS-UHFFFAOYSA-N 0 0 192.193 2.230 10 0 AEAERN CNC(=S)[C@H](C)c1ccccc1 238304754 573175144 /nfs/dbraw/zinc/17/51/44/573175144.db2.gz RGRAEQDABMKEGH-MRVPVSSYSA-N 0 0 179.288 2.337 10 0 AEAERN CO[C@@H]1Cc2cc(C)ccc21 258567994 573175195 /nfs/dbraw/zinc/17/51/95/573175195.db2.gz RJRRPQGXXUOAHQ-SNVBAGLBSA-N 0 0 148.205 2.239 10 0 AEAERN CC[C@]1(C)CC[C@@H](CC(C)=O)O1 238304096 573175197 /nfs/dbraw/zinc/17/51/97/573175197.db2.gz JLIYKGBKJXEHHQ-VHSXEESVSA-N 0 0 170.252 2.313 10 0 AEAERN CCC(CC)(OC)C(=O)C(C)C 159360268 573175269 /nfs/dbraw/zinc/17/52/69/573175269.db2.gz ZRJGBTLOKGXTDX-UHFFFAOYSA-N 0 0 172.268 2.417 10 0 AEAERN CC[C@]1(C)CC[C@@H](O)/C(=C\OC)C1 238304114 573175276 /nfs/dbraw/zinc/17/52/76/573175276.db2.gz FATCCQULIUNDLF-DLXGREBBSA-N 0 0 184.279 2.478 10 0 AEAERN CN[C@@H]([C@@H]1CC=CCC1)C(F)(F)F 104678105 573175288 /nfs/dbraw/zinc/17/52/88/573175288.db2.gz 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573175574 /nfs/dbraw/zinc/17/55/74/573175574.db2.gz FQFVQRMHXNJSRQ-JOYOIKCWSA-N 0 0 195.306 2.481 10 0 AEAERN Cn1c(Cl)cnc1-c1cccnc1 258565735 573175576 /nfs/dbraw/zinc/17/55/76/573175576.db2.gz PMLAZMZQKJXFJM-UHFFFAOYSA-N 0 0 193.637 2.136 10 0 AEAERN C[C@@H]1CC(C)(C)C[C@@]2(CC(=O)N2)C1 82762245 573175627 /nfs/dbraw/zinc/17/56/27/573175627.db2.gz NBPICGFKERXICE-KCJUWKMLSA-N 0 0 181.279 2.091 10 0 AEAERN Cc1cnc(C(=O)c2ccccc2)o1 115255971 573175628 /nfs/dbraw/zinc/17/56/28/573175628.db2.gz LNXWKDXFOLLXQG-UHFFFAOYSA-N 0 0 187.198 2.214 10 0 AEAERN CNC(=S)[C@@H](C)Cc1ccccc1 238304013 573175647 /nfs/dbraw/zinc/17/56/47/573175647.db2.gz GMFCOPSWGJVSRZ-VIFPVBQESA-N 0 0 193.315 2.412 10 0 AEAERN Cc1ccc([C@@]2(C)CC(=O)N2)c(C)c1 82762493 573175659 /nfs/dbraw/zinc/17/56/59/573175659.db2.gz SSBDMVNTEMWLTF-GFCCVEGCSA-N 0 0 189.258 2.039 10 0 AEAERN CC[C@@H](C)C1(CO)CC=CC1 642858013 573175676 /nfs/dbraw/zinc/17/56/76/573175676.db2.gz KEJJMVWOQRWUKN-SECBINFHSA-N 0 0 154.253 2.361 10 0 AEAERN C[C@@]1(c2ccc(Cl)cc2)CC(=O)N1 82762543 573175692 /nfs/dbraw/zinc/17/56/92/573175692.db2.gz CPVFJFMFVKAFJZ-JTQLQIEISA-N 0 0 195.649 2.075 10 0 AEAERN CC(C)C1(C2CCC(O)CC2)COC1 258566146 573175695 /nfs/dbraw/zinc/17/56/95/573175695.db2.gz MOXZASRKODQVRR-UHFFFAOYSA-N 0 0 198.306 2.210 10 0 AEAERN C[C@@H]1CC(C)(C)C[C@]2(CC(=O)N2)C1 82762243 573175699 /nfs/dbraw/zinc/17/56/99/573175699.db2.gz NBPICGFKERXICE-LDYMZIIASA-N 0 0 181.279 2.091 10 0 AEAERN C[C@@H](O)Cc1ccc(CF)cc1 257959860 573175718 /nfs/dbraw/zinc/17/57/18/573175718.db2.gz GQEXHYUEDTUTGX-MRVPVSSYSA-N 0 0 168.211 2.079 10 0 AEAERN C[C@@H](O)Cc1c(F)ccc(F)c1F 257960387 573175744 /nfs/dbraw/zinc/17/57/44/573175744.db2.gz BUFABZVDWCADHF-RXMQYKEDSA-N 0 0 190.164 2.027 10 0 AEAERN CC1CN(c2ccc(N)c(Cl)c2)C1 123766198 573175774 /nfs/dbraw/zinc/17/57/74/573175774.db2.gz QNCIZFAKCUPXBE-UHFFFAOYSA-N 0 0 196.681 2.378 10 0 AEAERN CC1CC(OC(=O)C[C@@H]2C[C@H]2C)C1 308293764 573175814 /nfs/dbraw/zinc/17/58/14/573175814.db2.gz 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/nfs/dbraw/zinc/17/73/02/573177302.db2.gz WSHCZYRDQQHTKU-GFCCVEGCSA-N 0 0 189.258 2.120 10 0 AEAERN CC(=O)c1cccc2conc12 258565557 573176051 /nfs/dbraw/zinc/17/60/51/573176051.db2.gz RDIHQVGRZMKUKR-UHFFFAOYSA-N 0 0 161.160 2.030 10 0 AEAERN CC(C)[C@H]1CC[C@@H](C)C[C@@]12CC(=O)N2 82762228 573176059 /nfs/dbraw/zinc/17/60/59/573176059.db2.gz KCBIALBPXFRKOP-CKYFFXLPSA-N 0 0 195.306 2.337 10 0 AEAERN CCc1nc(C)c(OC)s1 259354451 573176088 /nfs/dbraw/zinc/17/60/88/573176088.db2.gz QEYYEHJBYLJUMY-UHFFFAOYSA-N 0 0 157.238 2.023 10 0 AEAERN C[C@H](O)Cc1c(F)ccc(F)c1F 257960388 573176089 /nfs/dbraw/zinc/17/60/89/573176089.db2.gz BUFABZVDWCADHF-YFKPBYRVSA-N 0 0 190.164 2.027 10 0 AEAERN C[C@@H](C[C@@H]1CC(=O)N1)c1ccccc1 82762269 573176118 /nfs/dbraw/zinc/17/61/18/573176118.db2.gz DTJQOWHVYXCRSN-GXSJLCMTSA-N 0 0 189.258 2.069 10 0 AEAERN Clc1c[nH]c(-c2ccncc2)n1 258565775 573176169 /nfs/dbraw/zinc/17/61/69/573176169.db2.gz PNKGKPSNLXIIIR-UHFFFAOYSA-N 0 0 179.610 2.125 10 0 AEAERN CCCCCC[C@H](NN)[C@@H]1C[C@H]1C 253015307 573176173 /nfs/dbraw/zinc/17/61/73/573176173.db2.gz VBQDMDCNGXESBB-MXWKQRLJSA-N 0 0 184.327 2.445 10 0 AEAERN Cc1c(F)cc(F)c2c1C(=O)CC2 104682018 573176191 /nfs/dbraw/zinc/17/61/91/573176191.db2.gz JYYARCQQHIKMAN-UHFFFAOYSA-N 0 0 182.169 2.402 10 0 AEAERN CC[C@@H]1CCC/C1=C\CO 238304697 573176270 /nfs/dbraw/zinc/17/62/70/573176270.db2.gz IUSIXFJLJKMKMN-GTUWVTDSSA-N 0 0 140.226 2.115 10 0 AEAERN C[C@]1(c2ccc(Cl)cc2)CC(=O)N1 82762542 573176274 /nfs/dbraw/zinc/17/62/74/573176274.db2.gz CPVFJFMFVKAFJZ-SNVBAGLBSA-N 0 0 195.649 2.075 10 0 AEAERN C[NH2+][C@@H](C)c1cccc([S-])c1 82761588 573176322 /nfs/dbraw/zinc/17/63/22/573176322.db2.gz GDVBKVDMUHAWLW-ZETCQYMHSA-N 0 0 167.277 2.256 10 0 AEAERN CC[C@]1(C)N[C@H](C(C)(C)C)N=C1OC 238306718 573176332 /nfs/dbraw/zinc/17/63/32/573176332.db2.gz RHCDQRNLRJLQOF-KCJUWKMLSA-N 0 0 198.310 2.175 10 0 AEAERN CCCC1C(=O)C=NN1C(C)C 258568009 573176339 /nfs/dbraw/zinc/17/63/39/573176339.db2.gz RJVKZYFVVAOKHB-UHFFFAOYSA-N 0 0 168.240 2.122 10 0 AEAERN CC(C)C1CCC2(CC1)CC(=O)N2 82762449 573176348 /nfs/dbraw/zinc/17/63/48/573176348.db2.gz QBQJXHBOEFZAGY-UHFFFAOYSA-N 0 0 181.279 2.091 10 0 AEAERN Cc1ccc(F)c(Cl)c1CNO 257960365 573176359 /nfs/dbraw/zinc/17/63/59/573176359.db2.gz BTEXTUVDQRXCCA-UHFFFAOYSA-N 0 0 189.617 2.266 10 0 AEAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@]12CC(=O)N2 82762230 573176367 /nfs/dbraw/zinc/17/63/67/573176367.db2.gz KCBIALBPXFRKOP-JFGNBEQYSA-N 0 0 195.306 2.337 10 0 AEAERN C=Cc1ccc2c(c1)OCCCO2 82762023 573177312 /nfs/dbraw/zinc/17/73/12/573177312.db2.gz DEAXBIBSQSBCSU-UHFFFAOYSA-N 0 0 176.215 2.491 10 0 AEAERN C=CC(=O)Nc1cc(F)c(C)cc1F 235874822 573176402 /nfs/dbraw/zinc/17/64/02/573176402.db2.gz HEOAIYOVQLLXMG-UHFFFAOYSA-N 0 0 197.184 2.398 10 0 AEAERN CC(C)Cc1cc(Cl)cnn1 259355665 573176469 /nfs/dbraw/zinc/17/64/69/573176469.db2.gz GNILBDRATLSYTC-UHFFFAOYSA-N 0 0 170.643 2.329 10 0 AEAERN C[NH2+][C@H](C)c1cccc([S-])c1 82761589 573176479 /nfs/dbraw/zinc/17/64/79/573176479.db2.gz GDVBKVDMUHAWLW-SSDOTTSWSA-N 0 0 167.277 2.256 10 0 AEAERN CC[C@]1(C)CC[C@H](CC(C)=O)O1 238304273 573176542 /nfs/dbraw/zinc/17/65/42/573176542.db2.gz JLIYKGBKJXEHHQ-NXEZZACHSA-N 0 0 170.252 2.313 10 0 AEAERN CC(C)OCCOc1cccc(F)n1 40711333 573176590 /nfs/dbraw/zinc/17/65/90/573176590.db2.gz HYVXVLVWLAFPMA-UHFFFAOYSA-N 0 0 199.225 2.025 10 0 AEAERN CC[C@H]([NH3+])c1ccc(C(=O)[O-])cc1C 104679427 573176721 /nfs/dbraw/zinc/17/67/21/573176721.db2.gz ZZOQREJWUSDNIQ-JTQLQIEISA-N 0 0 193.246 2.103 10 0 AEAERN CCOC[C@H](C)OC(=O)C(C)(C)C 308292310 573176747 /nfs/dbraw/zinc/17/67/47/573176747.db2.gz FUGMHDPTXGVXAO-QMMMGPOBSA-N 0 0 188.267 2.001 10 0 AEAERN C=Cc1cc(OC)c2c(c1)OCCO2 82762018 573176759 /nfs/dbraw/zinc/17/67/59/573176759.db2.gz QKITVRXBSZFIRI-UHFFFAOYSA-N 0 0 192.214 2.109 10 0 AEAERN Nc1ccc(N2CC=CC2)cc1Cl 123768594 573176852 /nfs/dbraw/zinc/17/68/52/573176852.db2.gz NKEAWZCWDCSJEF-UHFFFAOYSA-N 0 0 194.665 2.298 10 0 AEAERN CC(=O)[C@@H](N)c1cccc(C(C)C)c1 104681363 573176858 /nfs/dbraw/zinc/17/68/58/573176858.db2.gz UITHGIFLRSGHRY-GFCCVEGCSA-N 0 0 191.274 2.399 10 0 AEAERN C[C@H]1CC(C)(C)C[C@]2(CC(=O)N2)C1 82762244 573176890 /nfs/dbraw/zinc/17/68/90/573176890.db2.gz NBPICGFKERXICE-GZMMTYOYSA-N 0 0 181.279 2.091 10 0 AEAERN CCc1cccc([C@H](C)CO)c1 238303911 573176925 /nfs/dbraw/zinc/17/69/25/573176925.db2.gz BYQQENWLQCDJCN-SECBINFHSA-N 0 0 164.248 2.345 10 0 AEAERN CCNC(=O)NCCCCC(C)C 125817631 573177013 /nfs/dbraw/zinc/17/70/13/573177013.db2.gz CHXUSSYEZMRVTN-UHFFFAOYSA-N 0 0 186.299 2.132 10 0 AEAERN C[C@H](O)Cc1ccc(CF)cc1 257959863 573177049 /nfs/dbraw/zinc/17/70/49/573177049.db2.gz GQEXHYUEDTUTGX-QMMMGPOBSA-N 0 0 168.211 2.079 10 0 AEAERN CCOC[C@@H](C)OC(=O)C(C)(C)C 308292309 573177086 /nfs/dbraw/zinc/17/70/86/573177086.db2.gz FUGMHDPTXGVXAO-MRVPVSSYSA-N 0 0 188.267 2.001 10 0 AEAERN CCc1c(C)cccc1[C@H](N)C(C)=O 104681355 573177260 /nfs/dbraw/zinc/17/72/60/573177260.db2.gz MHZWPWDUCXEMEP-GFCCVEGCSA-N 0 0 191.274 2.146 10 0 AEAERN CCc1ccccc1C(=O)[C@H](O)CC 308509176 573177137 /nfs/dbraw/zinc/17/71/37/573177137.db2.gz REUVFLFEJRSCKO-LLVKDONJSA-N 0 0 192.258 2.203 10 0 AEAERN COCc1coc2cccc(O)c12 258570166 573177153 /nfs/dbraw/zinc/17/71/53/573177153.db2.gz ISTCOGOFHSEXSW-UHFFFAOYSA-N 0 0 178.187 2.285 10 0 AEAERN CCC[C@H](C)[C@@H](O)[C@@H](CC)OC 233339781 573177156 /nfs/dbraw/zinc/17/71/56/573177156.db2.gz UONQIABXCMYGOF-IVZWLZJFSA-N 0 0 174.284 2.209 10 0 AEAERN CCc1ccccc1C(=O)[C@@H](O)CC 308509178 573177178 /nfs/dbraw/zinc/17/71/78/573177178.db2.gz REUVFLFEJRSCKO-NSHDSACASA-N 0 0 192.258 2.203 10 0 AEAERN CC[C@]1(C)CC[C@H](O)/C(=C\OC)C1 238304293 573177284 /nfs/dbraw/zinc/17/72/84/573177284.db2.gz FATCCQULIUNDLF-DOSOYNOZSA-N 0 0 184.279 2.478 10 0 AEAERN COc1cc(C)c2c(c1)CCC2=O 104681331 573177735 /nfs/dbraw/zinc/17/77/35/573177735.db2.gz AQVHQRWABDSMJC-UHFFFAOYSA-N 0 0 176.215 2.133 10 0 AEAERN C[C@H](C[C@@H]1CC(=O)N1)c1ccccc1 82762270 573177494 /nfs/dbraw/zinc/17/74/94/573177494.db2.gz DTJQOWHVYXCRSN-MWLCHTKSSA-N 0 0 189.258 2.069 10 0 AEAERN CCOC(=O)c1c(CC)c(C)cn1C 259602871 573177604 /nfs/dbraw/zinc/17/76/04/573177604.db2.gz METYWOXNWQDZBI-UHFFFAOYSA-N 0 0 195.262 2.073 10 0 AEAERN CCC[C@]1(c2ccccc2)CC(=O)N1 82762290 573177658 /nfs/dbraw/zinc/17/76/58/573177658.db2.gz FAFDKIAHDRMTMR-GFCCVEGCSA-N 0 0 189.258 2.202 10 0 AEAERN Cc1nnn2ccc3ccccc3c12 104680393 573177684 /nfs/dbraw/zinc/17/76/84/573177684.db2.gz LVBYGBAUMYVICQ-UHFFFAOYSA-N 0 0 183.214 2.191 10 0 AEAERN Cn1c(Cl)cnc1C1CCC1 258568735 573177692 /nfs/dbraw/zinc/17/76/92/573177692.db2.gz PVJJMHGZGHEVNV-UHFFFAOYSA-N 0 0 170.643 2.341 10 0 AEAERN C[C@@]1(c2ccccc2Cl)CC(=O)N1 82762235 573177796 /nfs/dbraw/zinc/17/77/96/573177796.db2.gz GHIISPGIMKJUGS-JTQLQIEISA-N 0 0 195.649 2.075 10 0 AEAERN CC[C@H](C)N(CCCCOC)OC 308292426 573177813 /nfs/dbraw/zinc/17/78/13/573177813.db2.gz IAFMBAAAAFIWQD-JTQLQIEISA-N 0 0 189.299 2.075 10 0 AEAERN CC(=O)[C@@H](F)C1CCCC1 258482316 573177933 /nfs/dbraw/zinc/17/79/33/573177933.db2.gz JHRUDXRYPAFFTH-MRVPVSSYSA-N 0 0 144.189 2.104 10 0 AEAERN CC1CC(OC(=O)C[C@H]2C[C@@H]2C)C1 308293762 573177945 /nfs/dbraw/zinc/17/79/45/573177945.db2.gz IYFZMHOQQIEVFI-APTHBXDWSA-N 0 0 182.263 2.374 10 0 AEAERN O=C1NCCCC[C@]12CC=CCC2 222840282 573177986 /nfs/dbraw/zinc/17/79/86/573177986.db2.gz BQDRNNWCBNRNFE-LLVKDONJSA-N 0 0 179.263 2.013 10 0 AEAERN O=C1CCc2ccc3cnccc3c21 104681339 573178981 /nfs/dbraw/zinc/17/89/81/573178981.db2.gz WIDBGOXNJDOMLE-UHFFFAOYSA-N 0 0 183.210 2.364 10 0 AEAERN CC[C@@H]1CC(=O)C(C)(C)C1 238300485 573185272 /nfs/dbraw/zinc/18/52/72/573185272.db2.gz PCKSCXDNCOIJCD-SSDOTTSWSA-N 0 0 140.226 2.402 10 0 AEAERN C[C@@]1(c2cccc(Cl)c2)CC(=O)N1 82762238 573178037 /nfs/dbraw/zinc/17/80/37/573178037.db2.gz UJFPIMIDXZXBKX-JTQLQIEISA-N 0 0 195.649 2.075 10 0 AEAERN O=C1C[C@@H](c2ccc(Cl)c(F)c2)N1 82762214 573178099 /nfs/dbraw/zinc/17/80/99/573178099.db2.gz XQWGFFYMWJEEHG-QMMMGPOBSA-N 0 0 199.612 2.040 10 0 AEAERN Clc1cccc2snnc12 104681851 573178101 /nfs/dbraw/zinc/17/81/01/573178101.db2.gz YDHHWYOQXZQWCM-UHFFFAOYSA-N 0 0 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162.232 2.322 10 0 AEAERN C[C@H]1CC(C)(C)C[C@@]([NH3+])(CC(=O)[O-])C1 82762697 573179438 /nfs/dbraw/zinc/17/94/38/573179438.db2.gz MYSLLJJLHGFEMX-KWQFWETISA-N 0 0 199.294 2.005 10 0 AEAERN CC(C)(C)[C@H]1CCCC[C@@]12CC(=O)N2 82762278 573179516 /nfs/dbraw/zinc/17/95/16/573179516.db2.gz FQFVQRMHXNJSRQ-BXKDBHETSA-N 0 0 195.306 2.481 10 0 AEAERN Cc1nccc2ccc(CNO)cc12 257960345 573179643 /nfs/dbraw/zinc/17/96/43/573179643.db2.gz BSJCXKSHOYGFLW-UHFFFAOYSA-N 0 0 188.230 2.022 10 0 AEAERN CC[C@H]([NH3+])c1cc(C)ccc1C(=O)[O-] 104682176 573179668 /nfs/dbraw/zinc/17/96/68/573179668.db2.gz BGZSIQVATNFPHW-JTQLQIEISA-N 0 0 193.246 2.103 10 0 AEAERN CC(=O)[C@@H](N)c1c(C)cc(C)cc1C 104680636 573179697 /nfs/dbraw/zinc/17/96/97/573179697.db2.gz VNBHOHKRFFRJJA-GFCCVEGCSA-N 0 0 191.274 2.201 10 0 AEAERN CC(C)[C@]1(c2ccccc2)CC(=O)N1 82762450 573179710 /nfs/dbraw/zinc/17/97/10/573179710.db2.gz PESDTLPBZISTIS-LBPRGKRZSA-N 0 0 189.258 2.058 10 0 AEAERN CCOc1cccc2c1C(=O)CCO2 104681398 573179957 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/nfs/dbraw/zinc/18/04/86/573180486.db2.gz XTHFIMAEKJCMCV-UHFFFAOYSA-N 0 0 197.328 2.433 10 0 AEAERN CSCc1ccoc1 115337596 573180505 /nfs/dbraw/zinc/18/05/05/573180505.db2.gz QMDWXIARGAQRDV-UHFFFAOYSA-N 0 0 128.196 2.143 10 0 AEAERN C[C@@H](CO)Cc1cc(F)cc(F)c1 82764723 573180535 /nfs/dbraw/zinc/18/05/35/573180535.db2.gz GINPHXDDAVXGHK-SSDOTTSWSA-N 0 0 186.201 2.136 10 0 AEAERN Cn1cnc2cnc3ccsc3c21 142162026 573180657 /nfs/dbraw/zinc/18/06/57/573180657.db2.gz KOJZTRVSPUDVAE-UHFFFAOYSA-N 0 0 189.243 2.183 10 0 AEAERN C[C@@H](CO)Cc1cccc(F)c1F 82764660 573180661 /nfs/dbraw/zinc/18/06/61/573180661.db2.gz MZCLMJUMLQZASZ-SSDOTTSWSA-N 0 0 186.201 2.136 10 0 AEAERN C[C@@H](O)c1cc2ccc(F)cc2n1C 257961701 573180688 /nfs/dbraw/zinc/18/06/88/573180688.db2.gz SSZKKLYBMSKQMZ-SSDOTTSWSA-N 0 0 193.221 2.371 10 0 AEAERN O=C1CCc2ccc3ncccc3c21 104681984 573180694 /nfs/dbraw/zinc/18/06/94/573180694.db2.gz UWFROKZAOMIZIG-UHFFFAOYSA-N 0 0 183.210 2.364 10 0 AEAERN CO[C@@H](C)Cc1ccccc1C=O 259357432 573180721 /nfs/dbraw/zinc/18/07/21/573180721.db2.gz IKOFUWKLJMQIRF-VIFPVBQESA-N 0 0 178.231 2.077 10 0 AEAERN Cc1ccc(F)cc1C[C@H](C)CO 82764696 573180752 /nfs/dbraw/zinc/18/07/52/573180752.db2.gz KQTKFFCYWYNMHQ-QMMMGPOBSA-N 0 0 182.238 2.305 10 0 AEAERN ONc1ccc2ccccc2n1 115309330 573180768 /nfs/dbraw/zinc/18/07/68/573180768.db2.gz MZQHXMNGFZYJKA-UHFFFAOYSA-N 0 0 160.176 2.036 10 0 AEAERN CC[C@H]([NH3+])c1c(C)cccc1C(=O)[O-] 104680104 573180778 /nfs/dbraw/zinc/18/07/78/573180778.db2.gz IPZSFDLCNRXETR-VIFPVBQESA-N 0 0 193.246 2.103 10 0 AEAERN CCc1cc(C)c2ncc(C=O)n2c1 238305498 573180789 /nfs/dbraw/zinc/18/07/89/573180789.db2.gz ARJTZPPWQPLVNS-UHFFFAOYSA-N 0 0 188.230 2.018 10 0 AEAERN C[C@@H](CO)Cc1c(F)cccc1F 82764733 573180891 /nfs/dbraw/zinc/18/08/91/573180891.db2.gz ZXYPJQNNHNLRRB-SSDOTTSWSA-N 0 0 186.201 2.136 10 0 AEAERN CC(C)(O)c1cccc(C2COC2)c1 257960469 573180916 /nfs/dbraw/zinc/18/09/16/573180916.db2.gz BWHSOYOUBPPHEM-UHFFFAOYSA-N 0 0 192.258 2.028 10 0 AEAERN C[C@@H]1CN1C(=O)OCc1ccccc1 98091382 573180966 /nfs/dbraw/zinc/18/09/66/573180966.db2.gz LUBRSMFTXSITMJ-PKEIRNPWSA-N 0 0 191.230 2.027 10 0 AEAERN CC(=O)c1onc2ccc(C)cc12 257962156 573181009 /nfs/dbraw/zinc/18/10/09/573181009.db2.gz XMOZLLBEAGGUOH-UHFFFAOYSA-N 0 0 175.187 2.339 10 0 AEAERN Cc1cc(C)c(CCC(N)=O)cc1C 142104150 573181054 /nfs/dbraw/zinc/18/10/54/573181054.db2.gz YFLKTJDSAWZFFK-UHFFFAOYSA-N 0 0 191.274 2.030 10 0 AEAERN C/C=C(/F)[C@H](O)CCCC 212516405 573181069 /nfs/dbraw/zinc/18/10/69/573181069.db2.gz TVHHGTXNPACYGE-RXLGXGPVSA-N 0 0 146.205 2.411 10 0 AEAERN CCc1c(C)cccc1[C@@H](N)C(C)=O 104681358 573181076 /nfs/dbraw/zinc/18/10/76/573181076.db2.gz MHZWPWDUCXEMEP-LBPRGKRZSA-N 0 0 191.274 2.146 10 0 AEAERN FC(F)=C1C(F)(F)C1(F)F 115325271 573181078 /nfs/dbraw/zinc/18/10/78/573181078.db2.gz QQZPELRQUIACRY-UHFFFAOYSA-N 0 0 162.032 2.421 10 0 AEAERN CC1(C)C[C@H](O)CC2(CC2)C1 257961580 573181081 /nfs/dbraw/zinc/18/10/81/573181081.db2.gz GZCGVVBKMASWQR-QMMMGPOBSA-N 0 0 154.253 2.338 10 0 AEAERN CCOC(=O)[C@]1(F)CCCC1(F)F 225746787 573181118 /nfs/dbraw/zinc/18/11/18/573181118.db2.gz OBGFRWYUKUOKFP-SSDOTTSWSA-N 0 0 196.168 2.077 10 0 AEAERN CCc1c(O)ccc2c1C(=O)CC2 104681334 573181139 /nfs/dbraw/zinc/18/11/39/573181139.db2.gz DSCHKRVZJWQFNE-UHFFFAOYSA-N 0 0 176.215 2.084 10 0 AEAERN O=C1CCc2cc3ncccc3cc21 104681993 573181147 /nfs/dbraw/zinc/18/11/47/573181147.db2.gz HBOZBVMOCZCWET-UHFFFAOYSA-N 0 0 183.210 2.364 10 0 AEAERN Cc1cccc(C[C@H](C)CO)c1 82764638 573181228 /nfs/dbraw/zinc/18/12/28/573181228.db2.gz JMCWASCQLXRRQD-JTQLQIEISA-N 0 0 164.248 2.166 10 0 AEAERN CC(C)/C(=C/[C@@H]1C[C@H]1C)CO 642865246 573181313 /nfs/dbraw/zinc/18/13/13/573181313.db2.gz UYRFJCPWHHYAEC-BUDQVDAVSA-N 0 0 154.253 2.217 10 0 AEAERN Cc1cccc(C2=NC(=O)CN2C)c1 235899750 573181358 /nfs/dbraw/zinc/18/13/58/573181358.db2.gz XAOHYZMZMXHUEH-UHFFFAOYSA-N 0 0 188.230 2.101 10 0 AEAERN C[C@H](O)c1cc2c(cc1F)CCC2 257961644 573181368 /nfs/dbraw/zinc/18/13/68/573181368.db2.gz HAPURCJGWFPLEJ-ZETCQYMHSA-N 0 0 180.222 2.368 10 0 AEAERN C[C@@H](O)[C@H](F)Cc1ccccc1F 257961012 573181427 /nfs/dbraw/zinc/18/14/27/573181427.db2.gz XJRNFGQUUVZJNT-GMSGAONNSA-N 0 0 186.201 2.087 10 0 AEAERN CCn1c(=O)[nH]c2c(Cl)cccc21 257960548 573181435 /nfs/dbraw/zinc/18/14/35/573181435.db2.gz FSUZZXRTZPSEEM-UHFFFAOYSA-N 0 0 196.637 2.003 10 0 AEAERN Nc1ccc2noc(C3CC3)c2c1 257960956 573181461 /nfs/dbraw/zinc/18/14/61/573181461.db2.gz XJHUHSUKTOIDDL-UHFFFAOYSA-N 0 0 174.203 2.287 10 0 AEAERN CNC(=S)c1cc(C)sc1C 238305425 573181467 /nfs/dbraw/zinc/18/14/67/573181467.db2.gz KWXFYXOCBYNRKW-UHFFFAOYSA-N 0 0 185.317 2.260 10 0 AEAERN C[C@H](O)[C@H](F)Cc1ccccc1F 257961014 573181478 /nfs/dbraw/zinc/18/14/78/573181478.db2.gz XJRNFGQUUVZJNT-OIBJUYFYSA-N 0 0 186.201 2.087 10 0 AEAERN c1cnc2[nH]c(C3CCCC3)nc2n1 142158525 573181494 /nfs/dbraw/zinc/18/14/94/573181494.db2.gz NJVIUUWADMLFHT-UHFFFAOYSA-N 0 0 188.234 2.011 10 0 AEAERN C[C@@H](CO)CCc1ccsc1 82764648 573181498 /nfs/dbraw/zinc/18/14/98/573181498.db2.gz QVKJSIWNHRWCHL-MRVPVSSYSA-N 0 0 170.277 2.309 10 0 AEAERN CN1c2ccc(N)cc2CC1(C)C 238306006 573181507 /nfs/dbraw/zinc/18/15/07/573181507.db2.gz FASXWMZZIRJBOG-UHFFFAOYSA-N 0 0 176.263 2.040 10 0 AEAERN C[C@H](CO)Cc1cc(F)ccc1F 82764699 573182668 /nfs/dbraw/zinc/18/26/68/573182668.db2.gz XVLFNNDLHQKREF-ZETCQYMHSA-N 0 0 186.201 2.136 10 0 AEAERN CCc1c(OC)ccc2oncc12 238305562 573181602 /nfs/dbraw/zinc/18/16/02/573181602.db2.gz YDJQNVLUQRLUMT-UHFFFAOYSA-N 0 0 177.203 2.399 10 0 AEAERN C[C@H](O)c1ccc2c(ccn2C)c1F 257962471 573181608 /nfs/dbraw/zinc/18/16/08/573181608.db2.gz BWLGYDOZQRXWPZ-ZETCQYMHSA-N 0 0 193.221 2.371 10 0 AEAERN CCSc1cccc(O)c1N 238305246 573182675 /nfs/dbraw/zinc/18/26/75/573182675.db2.gz SIQLDCAESLUUFF-UHFFFAOYSA-N 0 0 169.249 2.086 10 0 AEAERN CCc1nc(Nc2ccccc2)n[nH]1 238305323 573181700 /nfs/dbraw/zinc/18/17/00/573181700.db2.gz BUFDFYCIZBSBGB-UHFFFAOYSA-N 0 0 188.234 2.111 10 0 AEAERN ONCc1ccc([C@@H]2CCCO2)cc1 257962546 573181724 /nfs/dbraw/zinc/18/17/24/573181724.db2.gz BXHIXYMBRSWICS-NSHDSACASA-N 0 0 193.246 2.017 10 0 AEAERN C[C@@H](CO)Cc1cc(F)ccc1F 82764700 573181726 /nfs/dbraw/zinc/18/17/26/573181726.db2.gz XVLFNNDLHQKREF-SSDOTTSWSA-N 0 0 186.201 2.136 10 0 AEAERN CCOCCCOC(=O)CC(C)C 308294839 573181729 /nfs/dbraw/zinc/18/17/29/573181729.db2.gz HMJYTFMZXXLJIK-UHFFFAOYSA-N 0 0 188.267 2.002 10 0 AEAERN Cc1ccccc1[C@@H](F)[C@H](C)O 258572260 573181744 /nfs/dbraw/zinc/18/17/44/573181744.db2.gz RQUDJTKSKYFQNL-WPRPVWTQSA-N 0 0 168.211 2.386 10 0 AEAERN CC(=O)c1cnc([C@@H]2CCCS2)o1 258238112 573181782 /nfs/dbraw/zinc/18/17/82/573181782.db2.gz WAKDPEITAPRSOA-QMMMGPOBSA-N 0 0 197.259 2.445 10 0 AEAERN CO[C@H](C)Cc1ccccc1C=O 259357427 573181792 /nfs/dbraw/zinc/18/17/92/573181792.db2.gz IKOFUWKLJMQIRF-SECBINFHSA-N 0 0 178.231 2.077 10 0 AEAERN Cc1noc2cc(CCCO)ccc12 257962474 573181815 /nfs/dbraw/zinc/18/18/15/573181815.db2.gz BWMIKPOUKRATOB-UHFFFAOYSA-N 0 0 191.230 2.061 10 0 AEAERN C[C@H](CO)Cc1cc(F)cc(F)c1 82764722 573181827 /nfs/dbraw/zinc/18/18/27/573181827.db2.gz GINPHXDDAVXGHK-ZETCQYMHSA-N 0 0 186.201 2.136 10 0 AEAERN Cc1ccc(C[C@H](C)CO)c(C)c1 82764785 573181832 /nfs/dbraw/zinc/18/18/32/573181832.db2.gz IXVPHCXOKVXBOM-JTQLQIEISA-N 0 0 178.275 2.474 10 0 AEAERN C[C@H](CO)Cc1ccc(F)c(F)c1 82764611 573181863 /nfs/dbraw/zinc/18/18/63/573181863.db2.gz LOIVFOCYVXVZGG-ZETCQYMHSA-N 0 0 186.201 2.136 10 0 AEAERN COc1cc(F)cc2c1C(=O)CCC2 104683973 573181910 /nfs/dbraw/zinc/18/19/10/573181910.db2.gz FZQUGTADQKWNJS-UHFFFAOYSA-N 0 0 194.205 2.353 10 0 AEAERN C[C@H]1C[C@@]1(C)OC(=O)C[C@H]1C[C@H]1C 308296315 573181915 /nfs/dbraw/zinc/18/19/15/573181915.db2.gz KBPFYFYXGBSWSL-PKIKSRDPSA-N 0 0 182.263 2.374 10 0 AEAERN CCc1cc(F)cc2c1C(=O)CCO2 104684460 573182687 /nfs/dbraw/zinc/18/26/87/573182687.db2.gz XJUYRGWVURYGGM-UHFFFAOYSA-N 0 0 194.205 2.353 10 0 AEAERN Cc1cc(C(C)(C)CO)cc(O)c1C 257962549 573181933 /nfs/dbraw/zinc/18/19/33/573181933.db2.gz BXIYUAGFPKEQMF-UHFFFAOYSA-N 0 0 194.274 2.279 10 0 AEAERN c1cc2sncc2s1 104682973 573181952 /nfs/dbraw/zinc/18/19/52/573181952.db2.gz KDZASNPOEXNJBZ-UHFFFAOYSA-N 0 0 141.220 2.358 10 0 AEAERN C[C@H](CO)C1Cc2ccccc2C1 257960946 573182688 /nfs/dbraw/zinc/18/26/88/573182688.db2.gz XJGXSIPSKKOHTK-SECBINFHSA-N 0 0 176.259 2.030 10 0 AEAERN Cc1sc2ccccc2c1NN 259356914 573181990 /nfs/dbraw/zinc/18/19/90/573181990.db2.gz FSZPUOUBGYTBHG-UHFFFAOYSA-N 0 0 178.260 2.495 10 0 AEAERN NC1=NO[C@@H](C2CCCCCC2)C1 257960809 573182001 /nfs/dbraw/zinc/18/20/01/573182001.db2.gz XHVGKTIBOIHPSL-SECBINFHSA-N 0 0 182.267 2.018 10 0 AEAERN C[C@@H](O)Cc1ccc2cccnc2c1 257962524 573182023 /nfs/dbraw/zinc/18/20/23/573182023.db2.gz BXEQGSSMADQPMM-SECBINFHSA-N 0 0 187.242 2.158 10 0 AEAERN Fc1cncc(-c2ccccc2)n1 104684647 573182030 /nfs/dbraw/zinc/18/20/30/573182030.db2.gz WLWMONZOYZOVBP-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Cc1ccc2c(=O)[nH]c(Cl)cc2c1 142140909 573182031 /nfs/dbraw/zinc/18/20/31/573182031.db2.gz QBDBVVOQNLDOJD-UHFFFAOYSA-N 0 0 193.633 2.490 10 0 AEAERN Cc1cc(F)ccc1C[C@@H](C)CO 82764726 573182048 /nfs/dbraw/zinc/18/20/48/573182048.db2.gz XAEMJFNQSXPJGV-MRVPVSSYSA-N 0 0 182.238 2.305 10 0 AEAERN CNC(=S)c1cc2ccccc2o1 238305849 573182052 /nfs/dbraw/zinc/18/20/52/573182052.db2.gz PKYMUKSYINUSAK-UHFFFAOYSA-N 0 0 191.255 2.328 10 0 AEAERN CCc1ccc(O)c2c1C(=O)CC2 104682569 573182064 /nfs/dbraw/zinc/18/20/64/573182064.db2.gz FRJFEMITILOTBA-UHFFFAOYSA-N 0 0 176.215 2.084 10 0 AEAERN CCO[C@H](C(=O)C(C)C)C(C)C 132022932 573182094 /nfs/dbraw/zinc/18/20/94/573182094.db2.gz GNTRMRPKJBQWOC-JTQLQIEISA-N 0 0 172.268 2.273 10 0 AEAERN Cc1ccc(C[C@@H](C)CO)c(C)c1 82764784 573182108 /nfs/dbraw/zinc/18/21/08/573182108.db2.gz IXVPHCXOKVXBOM-SNVBAGLBSA-N 0 0 178.275 2.474 10 0 AEAERN Cc1cc2cc(C)nc(C)n2c1 104684668 573182121 /nfs/dbraw/zinc/18/21/21/573182121.db2.gz SCZMYQUYZXWXIJ-UHFFFAOYSA-N 0 0 160.220 2.260 10 0 AEAERN Nc1nc2cc(F)ccc2nc1Cl 115317335 573182157 /nfs/dbraw/zinc/18/21/57/573182157.db2.gz XRPNCYNGYGWDHU-UHFFFAOYSA-N 0 0 197.600 2.005 10 0 AEAERN O=C1CCc2ccc3[nH]ccc3c21 104682559 573182173 /nfs/dbraw/zinc/18/21/73/573182173.db2.gz ZHIILSWQFYNETQ-UHFFFAOYSA-N 0 0 171.199 2.297 10 0 AEAERN Cc1ccn2c(C)c(C)cc2n1 104684159 573182192 /nfs/dbraw/zinc/18/21/92/573182192.db2.gz AZBRUXIJCZISIA-UHFFFAOYSA-N 0 0 160.220 2.260 10 0 AEAERN Cc1cc(C)cc(C[C@@H](C)CO)c1 82764750 573182236 /nfs/dbraw/zinc/18/22/36/573182236.db2.gz MDNWUVDGTFUATD-LLVKDONJSA-N 0 0 178.275 2.474 10 0 AEAERN CC(C)[C@H](C)CNN1CCCCC1 308294550 573182273 /nfs/dbraw/zinc/18/22/73/573182273.db2.gz RKWJOPYDEJLENX-LLVKDONJSA-N 0 0 184.327 2.269 10 0 AEAERN C[C@H](O)Cc1ccc2cccnc2c1 257962527 573182350 /nfs/dbraw/zinc/18/23/50/573182350.db2.gz BXEQGSSMADQPMM-VIFPVBQESA-N 0 0 187.242 2.158 10 0 AEAERN CC[C@H]1CCC[C@H](NC=O)CC1 238305575 573182376 /nfs/dbraw/zinc/18/23/76/573182376.db2.gz DSCOUBDVJVRHLI-UWVGGRQHSA-N 0 0 169.268 2.091 10 0 AEAERN C[C@H](CO)Cc1cccc(F)c1F 82764659 573182381 /nfs/dbraw/zinc/18/23/81/573182381.db2.gz MZCLMJUMLQZASZ-ZETCQYMHSA-N 0 0 186.201 2.136 10 0 AEAERN NC1=NO[C@H](C2CCCCCC2)C1 257960815 573182388 /nfs/dbraw/zinc/18/23/88/573182388.db2.gz XHVGKTIBOIHPSL-VIFPVBQESA-N 0 0 182.267 2.018 10 0 AEAERN C[C@@H]1C[C@H]2C=C[C@@H]1C2 142155151 573182399 /nfs/dbraw/zinc/18/23/99/573182399.db2.gz PCBPVYHMZBWMAZ-BWZBUEFSSA-N 0 0 108.184 2.219 10 0 AEAERN Cc1ccc2nc(Cl)c(N)nc2c1 115316932 573182420 /nfs/dbraw/zinc/18/24/20/573182420.db2.gz BPRUUXRKBDUYJY-UHFFFAOYSA-N 0 0 193.637 2.174 10 0 AEAERN CCc1ccc(F)c2c1C(=O)CCO2 104684464 573182501 /nfs/dbraw/zinc/18/25/01/573182501.db2.gz SFKCYBZZTPGTOT-UHFFFAOYSA-N 0 0 194.205 2.353 10 0 AEAERN C[C@@H]1OC(=S)c2c(O)cccc21 142145529 573182502 /nfs/dbraw/zinc/18/25/02/573182502.db2.gz MVFVFOUVVUJBHX-YFKPBYRVSA-N 0 0 180.228 2.159 10 0 AEAERN CC(=O)Cc1ccc2c(c1F)CCC2 257962504 573182701 /nfs/dbraw/zinc/18/27/01/573182701.db2.gz BWYPSNVHEWZSKU-UHFFFAOYSA-N 0 0 192.233 2.446 10 0 AEAERN CC1=Nc2ccccc2CO1 104682431 573182719 /nfs/dbraw/zinc/18/27/19/573182719.db2.gz BFQJUSXZOJUPLO-UHFFFAOYSA-N 0 0 147.177 2.267 10 0 AEAERN C[C@@H](CO)CCc1cccs1 82764496 573182734 /nfs/dbraw/zinc/18/27/34/573182734.db2.gz TYJPXBJGKPIEGG-MRVPVSSYSA-N 0 0 170.277 2.309 10 0 AEAERN CCc1c(OC)ccc2cnoc12 238305506 573182762 /nfs/dbraw/zinc/18/27/62/573182762.db2.gz FAWNYCMCFSZQQN-UHFFFAOYSA-N 0 0 177.203 2.399 10 0 AEAERN CC[C@H](C)N(CCOC(C)C)OC 308294318 573182778 /nfs/dbraw/zinc/18/27/78/573182778.db2.gz JGCKUDFVJWMXKB-JTQLQIEISA-N 0 0 189.299 2.073 10 0 AEAERN C[C@@H]1Cc2ccccc2CCC1=O 142150144 573182814 /nfs/dbraw/zinc/18/28/14/573182814.db2.gz NQLWNJXBFXEGNU-SECBINFHSA-N 0 0 174.243 2.381 10 0 AEAERN Nc1ccc2c(c1Cl)CCC2=O 104682584 573182818 /nfs/dbraw/zinc/18/28/18/573182818.db2.gz LYPPDSSERWHAFU-UHFFFAOYSA-N 0 0 181.622 2.051 10 0 AEAERN COc1c(F)ccc2c1C(=O)CCC2 104684458 573185578 /nfs/dbraw/zinc/18/55/78/573185578.db2.gz KGZNMOBWPAFWCV-UHFFFAOYSA-N 0 0 194.205 2.353 10 0 AEAERN C[C@H](CO)Cc1c(F)cccc1F 82764732 573185591 /nfs/dbraw/zinc/18/55/91/573185591.db2.gz ZXYPJQNNHNLRRB-ZETCQYMHSA-N 0 0 186.201 2.136 10 0 AEAERN Cc1ccc(C)c(C[C@H](C)CO)c1 82764538 573185893 /nfs/dbraw/zinc/18/58/93/573185893.db2.gz DBAXIVTVSPWDAV-JTQLQIEISA-N 0 0 178.275 2.474 10 0 AEAERN CC[C@@]1(C(C)=O)CCCCC1=O 238306342 573185903 /nfs/dbraw/zinc/18/59/03/573185903.db2.gz SPBHVZCDGSELIC-JTQLQIEISA-N 0 0 168.236 2.115 10 0 AEAERN C/C=C/C=C/C(=O)OCC1(F)CC1 308296708 573186131 /nfs/dbraw/zinc/18/61/31/573186131.db2.gz KEXKPCJXJZKEBY-MQQKCMAXSA-N 0 0 184.210 2.164 10 0 AEAERN CC1(C)OC(=O)c2cc3occc3n21 115387866 573186133 /nfs/dbraw/zinc/18/61/33/573186133.db2.gz KBFOKDCQYOGWLR-UHFFFAOYSA-N 0 0 191.186 2.097 10 0 AEAERN Cc1ccc(C)c(C[C@@H](C)CO)c1 82764537 573184739 /nfs/dbraw/zinc/18/47/39/573184739.db2.gz DBAXIVTVSPWDAV-SNVBAGLBSA-N 0 0 178.275 2.474 10 0 AEAERN CC[C@]1(C)N[C@@H](C(C)(C)C)N=C1OC 238306680 573184762 /nfs/dbraw/zinc/18/47/62/573184762.db2.gz RHCDQRNLRJLQOF-KWQFWETISA-N 0 0 198.310 2.175 10 0 AEAERN Cc1cc2c(c(F)c1F)C(=O)CC2 104682544 573184780 /nfs/dbraw/zinc/18/47/80/573184780.db2.gz 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573185024 /nfs/dbraw/zinc/18/50/24/573185024.db2.gz VWSKVHILEWOQST-JXUBOQSCSA-N 0 0 154.253 2.194 10 0 AEAERN C[C@H]1C[C@H]1COC(=O)CCC(F)F 308297956 573186494 /nfs/dbraw/zinc/18/64/94/573186494.db2.gz KQVANOYMNXYTDW-BQBZGAKWSA-N 0 0 192.205 2.231 10 0 AEAERN Cc1ccc(F)cc1C[C@@H](C)CO 82764695 573185029 /nfs/dbraw/zinc/18/50/29/573185029.db2.gz KQTKFFCYWYNMHQ-MRVPVSSYSA-N 0 0 182.238 2.305 10 0 AEAERN CCc1c(F)cccc1C(=O)OC 238299991 573185031 /nfs/dbraw/zinc/18/50/31/573185031.db2.gz PVBKKEVUTQYZSP-UHFFFAOYSA-N 0 0 182.194 2.175 10 0 AEAERN CCc1cccc2c1C[NH2+][C@@H]2C 238306404 573185049 /nfs/dbraw/zinc/18/50/49/573185049.db2.gz BZLNRXNWEXLHPS-MRVPVSSYSA-N 0 0 161.248 2.413 10 0 AEAERN Clc1cc[nH]c1Cl 104684660 573185119 /nfs/dbraw/zinc/18/51/19/573185119.db2.gz NXVWESYBAJSRQF-UHFFFAOYSA-N 0 0 135.981 2.322 10 0 AEAERN Cc1cccc(C[C@H](C)CO)c1C 82764779 573185131 /nfs/dbraw/zinc/18/51/31/573185131.db2.gz KWCNCAYFBZSHIU-VIFPVBQESA-N 0 0 178.275 2.474 10 0 AEAERN Cc1cc(O)cc2c1C(=O)CCC2 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/nfs/dbraw/zinc/20/39/41/573203941.db2.gz HXCGWXDSKDKHGO-QMMMGPOBSA-N 0 0 166.220 2.062 10 0 AEAERN CC(=O)C[C@@H](C)C1CCOCC1 82807030 573204039 /nfs/dbraw/zinc/20/40/39/573204039.db2.gz ITWAGOBNFLIEQF-MRVPVSSYSA-N 0 0 170.252 2.028 10 0 AEAERN COC(=O)NC(C)(C)C=C(C)C 238310927 573204061 /nfs/dbraw/zinc/20/40/61/573204061.db2.gz WFIPJXZXPXZWEW-UHFFFAOYSA-N 0 0 171.240 2.087 10 0 AEAERN COc1cc(C=O)cc2cccnc12 115595749 573204091 /nfs/dbraw/zinc/20/40/91/573204091.db2.gz DFMSZVNDPQLGOL-UHFFFAOYSA-N 0 0 187.198 2.056 10 0 AEAERN CC(=O)C[C@H](C)c1cncc(F)c1 82806973 573204095 /nfs/dbraw/zinc/20/40/95/573204095.db2.gz CITZQBFODBVVGN-ZETCQYMHSA-N 0 0 181.210 2.303 10 0 AEAERN Cn1c(Cl)cnc1NC1CCCC1 258483862 573204147 /nfs/dbraw/zinc/20/41/47/573204147.db2.gz ISSSQOADBGZTRX-UHFFFAOYSA-N 0 0 199.685 2.428 10 0 AEAERN C/C=C\c1cc[nH]c1 104701865 573204276 /nfs/dbraw/zinc/20/42/76/573204276.db2.gz UYGMPZSLJYVODL-IHWYPQMZSA-N 0 0 107.156 2.048 10 0 AEAERN CC(=O)C[C@@H](C)c1cccnc1 82807155 573204336 /nfs/dbraw/zinc/20/43/36/573204336.db2.gz PTRBDIRNHYJIHX-MRVPVSSYSA-N 0 0 163.220 2.164 10 0 AEAERN COC(=O)NC12CCC(CC1)CC2 238311423 573204353 /nfs/dbraw/zinc/20/43/53/573204353.db2.gz YAOGQPSUIHIUFW-UHFFFAOYSA-N 0 0 183.251 2.065 10 0 AEAERN Cc1ccc(C)c(C(C)(C)O)c1O 257968087 573204366 /nfs/dbraw/zinc/20/43/66/573204366.db2.gz HTYMRSGKIFMAHN-UHFFFAOYSA-N 0 0 180.247 2.236 10 0 AEAERN c1cnnc(C[C@H]2CCCCS2)c1 259368000 573204394 /nfs/dbraw/zinc/20/43/94/573204394.db2.gz HFSCGQATVVUYDL-SNVBAGLBSA-N 0 0 194.303 2.305 10 0 AEAERN CC[C@H](O)[C@@H]1CC(F)(F)C1(F)F 238311511 573204424 /nfs/dbraw/zinc/20/44/24/573204424.db2.gz UKPQVGIEYGWABT-WHFBIAKZSA-N 0 0 186.148 2.048 10 0 AEAERN CCONCc1cccc(CC)c1 308310125 573207734 /nfs/dbraw/zinc/20/77/34/573207734.db2.gz QWHCPFCBKPSHAR-UHFFFAOYSA-N 0 0 179.263 2.290 10 0 AEAERN Cc1ccc(Cl)c([C@H](C)O)c1O 257964989 573207747 /nfs/dbraw/zinc/20/77/47/573207747.db2.gz CDUXUBPQBKAALH-LURJTMIESA-N 0 0 186.638 2.407 10 0 AEAERN COCSc1ccc(N)c(F)c1 85936064 573207750 /nfs/dbraw/zinc/20/77/50/573207750.db2.gz YPHYQOHDVVPUML-UHFFFAOYSA-N 0 0 187.239 2.104 10 0 AEAERN C[C@@H](C[C@@H](C)O)C(C)(C)C 82812149 573207773 /nfs/dbraw/zinc/20/77/73/573207773.db2.gz LHDWJXGRXJTVAB-JGVFFNPUSA-N 0 0 144.258 2.440 10 0 AEAERN OCCc1c(F)cc2occc2c1F 257965053 573207779 /nfs/dbraw/zinc/20/77/79/573207779.db2.gz CFFCZBVTBMINHR-UHFFFAOYSA-N 0 0 198.168 2.246 10 0 AEAERN CC[C@]1(SC)CCC(=O)C1 238312958 573207784 /nfs/dbraw/zinc/20/77/84/573207784.db2.gz YNMJTXMJTVINEU-QMMMGPOBSA-N 0 0 158.266 2.251 10 0 AEAERN Cc1ncc([C@@H](O)c2ccoc2)s1 235955267 573206249 /nfs/dbraw/zinc/20/62/49/573206249.db2.gz OHAXAWXLVLSXLX-VIFPVBQESA-N 0 0 195.243 2.126 10 0 AEAERN CC[C@H]1CNc2nc3ccccc3n21 238313438 573206174 /nfs/dbraw/zinc/20/61/74/573206174.db2.gz LIGOLKNYALHBIY-QMMMGPOBSA-N 0 0 187.246 2.413 10 0 AEAERN C[C@H](O)Cc1ccc(OC2CC2)cc1 257965074 573207788 /nfs/dbraw/zinc/20/77/88/573207788.db2.gz CFNFGYVQJCBFEN-VIFPVBQESA-N 0 0 192.258 2.151 10 0 AEAERN CC[C@H]1CNC(=O)O[C@H]1c1ccco1 238312607 573206323 /nfs/dbraw/zinc/20/63/23/573206323.db2.gz MRJBUGMTVARKLB-IONNQARKSA-N 0 0 195.218 2.087 10 0 AEAERN CSC[C@H](C)[N@H+](C)Cc1cc[nH]c1 308310586 573207795 /nfs/dbraw/zinc/20/77/95/573207795.db2.gz RJJOGPUHVBVMHV-VIFPVBQESA-N 0 0 198.335 2.198 10 0 AEAERN Cc1nn([C@@H](C)C[C@@H](C)O)c(C)c1C 82815333 573207797 /nfs/dbraw/zinc/20/77/97/573207797.db2.gz ZDMQVSUKLPSUFM-JGVFFNPUSA-N 0 0 196.294 2.140 10 0 AEAERN Nc1cc2c3c(ccn3CCC2)c1 257965329 573206378 /nfs/dbraw/zinc/20/63/78/573206378.db2.gz XUMIGLIWRZDHLN-UHFFFAOYSA-N 0 0 172.231 2.170 10 0 AEAERN CC(=O)C[C@H](C)c1ccc(C)nc1 82807426 573206387 /nfs/dbraw/zinc/20/63/87/573206387.db2.gz GXIANDMKLGYCHR-QMMMGPOBSA-N 0 0 177.247 2.473 10 0 AEAERN CC(=O)C[C@@H](C)c1cc(C)cnc1N 82806960 573206408 /nfs/dbraw/zinc/20/64/08/573206408.db2.gz HKNFYJGVCWSWEJ-MRVPVSSYSA-N 0 0 192.262 2.055 10 0 AEAERN CCCCC(=O)[C@H](OC)C1CC1 132096230 573206419 /nfs/dbraw/zinc/20/64/19/573206419.db2.gz HUUMBBINLFGVPV-SNVBAGLBSA-N 0 0 170.252 2.171 10 0 AEAERN C[C@H](O)C1(CCC2CC2)CC1 235528910 573206508 /nfs/dbraw/zinc/20/65/08/573206508.db2.gz DUQJUQYNBHLPJZ-QMMMGPOBSA-N 0 0 154.253 2.338 10 0 AEAERN CC[C@H]1CNC(=O)O[C@@H]1c1ccco1 238312550 573206540 /nfs/dbraw/zinc/20/65/40/573206540.db2.gz MRJBUGMTVARKLB-CBAPKCEASA-N 0 0 195.218 2.087 10 0 AEAERN CCCc1csc(CCCCO)n1 259371686 573206711 /nfs/dbraw/zinc/20/67/11/573206711.db2.gz SPVPGVCMNVNEDC-UHFFFAOYSA-N 0 0 199.319 2.411 10 0 AEAERN Nc1cccc(S[C@H]2CCOC2)c1 85927545 573206714 /nfs/dbraw/zinc/20/67/14/573206714.db2.gz BWNXMIRUPIMNRE-JTQLQIEISA-N 0 0 195.287 2.150 10 0 AEAERN CC[C@H]1CNC(=O)O[C@H]1C1CCCC1 238312567 573206722 /nfs/dbraw/zinc/20/67/22/573206722.db2.gz ISTRFLUWLCDPBB-WCBMZHEXSA-N 0 0 197.278 2.311 10 0 AEAERN C/C=C(\C)C(=O)O[C@H](C)C(F)(F)F 308310706 573206737 /nfs/dbraw/zinc/20/67/37/573206737.db2.gz REXVVJRPRNBHHE-BMMSZFGTSA-N 0 0 196.168 2.447 10 0 AEAERN Cc1ccsc1-c1ocnc1CO 85942237 573206751 /nfs/dbraw/zinc/20/67/51/573206751.db2.gz VSFZWNBLHSXQCJ-UHFFFAOYSA-N 0 0 195.243 2.204 10 0 AEAERN C/C=C(\C)C(=O)O[C@@H](C)C(F)(F)F 308310707 573206757 /nfs/dbraw/zinc/20/67/57/573206757.db2.gz REXVVJRPRNBHHE-OVCGOVNKSA-N 0 0 196.168 2.447 10 0 AEAERN C/C=C(/C)C(=O)O[C@@H](C)C(F)(F)F 308310709 573206827 /nfs/dbraw/zinc/20/68/27/573206827.db2.gz REXVVJRPRNBHHE-XSIKTDMUSA-N 0 0 196.168 2.447 10 0 AEAERN CCOCc1noc([C@H](C)CC)n1 308310153 573206839 /nfs/dbraw/zinc/20/68/39/573206839.db2.gz QXHUALUNMGMYKE-SSDOTTSWSA-N 0 0 184.239 2.120 10 0 AEAERN Cc1cnc(Cn2cccc2)s1 235959935 573206845 /nfs/dbraw/zinc/20/68/45/573206845.db2.gz AOVOSOPEYFXKMP-UHFFFAOYSA-N 0 0 178.260 2.301 10 0 AEAERN CC(=O)C[C@@H]1Cc2ccccc2N1C 257970700 573206886 /nfs/dbraw/zinc/20/68/86/573206886.db2.gz DKJMJPXLHLZMPH-LLVKDONJSA-N 0 0 189.258 2.027 10 0 AEAERN Clc1ccccc1[C@@H]1CCNO1 257965418 573206907 /nfs/dbraw/zinc/20/69/07/573206907.db2.gz XWGDSJNZQXVAMQ-VIFPVBQESA-N 0 0 183.638 2.306 10 0 AEAERN Nc1cccc(CNc2cccnc2)c1 238628404 573206912 /nfs/dbraw/zinc/20/69/12/573206912.db2.gz GDFDGOFTEOYWGH-UHFFFAOYSA-N 0 0 199.257 2.276 10 0 AEAERN CCc1cc(C)cc(OC)c1C=O 115599300 573206934 /nfs/dbraw/zinc/20/69/34/573206934.db2.gz VHKWIINBGRRWHD-UHFFFAOYSA-N 0 0 178.231 2.379 10 0 AEAERN CSC[C@@H](C)[N@H+](C)Cc1cc[nH]c1 308310585 573206944 /nfs/dbraw/zinc/20/69/44/573206944.db2.gz RJJOGPUHVBVMHV-SECBINFHSA-N 0 0 198.335 2.198 10 0 AEAERN CC(C)(C)N1N=C2CCCC[C@H]2C1=O 104708959 573206951 /nfs/dbraw/zinc/20/69/51/573206951.db2.gz IIVHOMWUXSZWRS-MRVPVSSYSA-N 0 0 194.278 2.173 10 0 AEAERN C[C@H]1CCc2ccc(CCO)cc21 257964945 573206959 /nfs/dbraw/zinc/20/69/59/573206959.db2.gz HMBMXVGFYOBVFN-VIFPVBQESA-N 0 0 176.259 2.271 10 0 AEAERN c1ccc(NCCc2cc[nH]n2)cc1 85939276 573206984 /nfs/dbraw/zinc/20/69/84/573206984.db2.gz YAFTXHFAKLXWKL-UHFFFAOYSA-N 0 0 187.246 2.064 10 0 AEAERN Cc1cncc(CC2([C@H](C)O)CC2)c1 235530357 573207015 /nfs/dbraw/zinc/20/70/15/573207015.db2.gz KYYUAQSSYAJWLD-JTQLQIEISA-N 0 0 191.274 2.094 10 0 AEAERN Cc1cccc([C@@H](O)C2CC2)c1N 257965328 573207018 /nfs/dbraw/zinc/20/70/18/573207018.db2.gz XUJATNSURYMRQU-NSHDSACASA-N 0 0 177.247 2.021 10 0 AEAERN OCc1ncoc1CC1CCCCC1 85942277 573207051 /nfs/dbraw/zinc/20/70/51/573207051.db2.gz XPFGYHBZAAELJE-UHFFFAOYSA-N 0 0 195.262 2.290 10 0 AEAERN Cc1nn([C@H](C)C[C@@H](C)O)c(C)c1C 82815334 573207118 /nfs/dbraw/zinc/20/71/18/573207118.db2.gz ZDMQVSUKLPSUFM-HTQZYQBOSA-N 0 0 196.294 2.140 10 0 AEAERN CCSCCNOC1CCCC1 129083710 573207129 /nfs/dbraw/zinc/20/71/29/573207129.db2.gz GKNWSHZOOUWGIQ-UHFFFAOYSA-N 0 0 189.324 2.203 10 0 AEAERN CC(C)SCc1cc(N)sn1 257965707 573207179 /nfs/dbraw/zinc/20/71/79/573207179.db2.gz UZLOQJALWYSWME-UHFFFAOYSA-N 0 0 188.321 2.367 10 0 AEAERN Cc1ccc(N)c(SC[C@H](C)O)c1 85930392 573207196 /nfs/dbraw/zinc/20/71/96/573207196.db2.gz HRXHBJFPZUIXQA-QMMMGPOBSA-N 0 0 197.303 2.050 10 0 AEAERN C[C@H](O)C1(Cc2ccsc2)CC1 235530309 573207198 /nfs/dbraw/zinc/20/71/98/573207198.db2.gz CAOCOQRIPBPGLA-QMMMGPOBSA-N 0 0 182.288 2.452 10 0 AEAERN CC(C)(O)CSc1cccc(N)c1 85927948 573207863 /nfs/dbraw/zinc/20/78/63/573207863.db2.gz YQWSBRUTKXRJRG-UHFFFAOYSA-N 0 0 197.303 2.132 10 0 AEAERN CC(C)(C[C@@H]([NH3+])C(=O)[O-])C1CCCC1 258486251 573207274 /nfs/dbraw/zinc/20/72/74/573207274.db2.gz BWGDNSRDODRPHX-SECBINFHSA-N 0 0 199.294 2.005 10 0 AEAERN C[C@@H](C[C@@H](C)O)c1ccoc1 82811896 573207282 /nfs/dbraw/zinc/20/72/82/573207282.db2.gz DMFPKDNLEGLYHS-JGVFFNPUSA-N 0 0 154.209 2.154 10 0 AEAERN CC(C)n1ccnc1N1CCCCC1 257964488 573207290 /nfs/dbraw/zinc/20/72/90/573207290.db2.gz YUIPAWOVNBHYTC-UHFFFAOYSA-N 0 0 193.294 2.454 10 0 AEAERN C[C@@H]1C[C@H]1NC(=O)/C=C\C(C)(C)C 308310074 573207314 /nfs/dbraw/zinc/20/73/14/573207314.db2.gz QTYFMCGPBABCDC-JJKLJZTJSA-N 0 0 181.279 2.113 10 0 AEAERN CNOC/C=C/c1cccc(C)c1 258584818 573207333 /nfs/dbraw/zinc/20/73/33/573207333.db2.gz MSGPQWKLPOHVSG-QPJJXVBHSA-N 0 0 177.247 2.159 10 0 AEAERN COCSc1cc(C)ccc1N 85930977 573207388 /nfs/dbraw/zinc/20/73/88/573207388.db2.gz SUYBHBFUTJOMHP-UHFFFAOYSA-N 0 0 183.276 2.273 10 0 AEAERN CC(=O)CC(C)(C)C1CCOCC1 82816162 573207394 /nfs/dbraw/zinc/20/73/94/573207394.db2.gz SXAPSESPDLSTMQ-UHFFFAOYSA-N 0 0 184.279 2.418 10 0 AEAERN C[C@@H](O)C[C@@H](C)c1ccco1 82812304 573207402 /nfs/dbraw/zinc/20/74/02/573207402.db2.gz UDLFJGXKTKOBEL-HTQZYQBOSA-N 0 0 154.209 2.154 10 0 AEAERN Cc1cccnc1CC1([C@H](C)O)CC1 235530468 573207433 /nfs/dbraw/zinc/20/74/33/573207433.db2.gz AYSDTVVNYVTWSU-JTQLQIEISA-N 0 0 191.274 2.094 10 0 AEAERN CC(=O)CC(C)(C)c1cncc(F)c1 82816150 573207440 /nfs/dbraw/zinc/20/74/40/573207440.db2.gz SZOCUDCAFFKUFK-UHFFFAOYSA-N 0 0 195.237 2.477 10 0 AEAERN C[C@H](O)C1(C[C@H]2CCC(C)(C)O2)CC1 235529291 573207448 /nfs/dbraw/zinc/20/74/48/573207448.db2.gz DLLNUMYESXPTCJ-VHSXEESVSA-N 0 0 198.306 2.495 10 0 AEAERN C[C@@H]1C[C@@H]1NC(=O)/C=C\C(C)(C)C 308310073 573207481 /nfs/dbraw/zinc/20/74/81/573207481.db2.gz QTYFMCGPBABCDC-CDLGPUQVSA-N 0 0 181.279 2.113 10 0 AEAERN OC1(c2ccc3scnc3c2)CC1 257965023 573207511 /nfs/dbraw/zinc/20/75/11/573207511.db2.gz CEKDYLCSYQODOK-UHFFFAOYSA-N 0 0 191.255 2.278 10 0 AEAERN Cc1ncc(CC2([C@H](C)O)CC2)s1 235530333 573207563 /nfs/dbraw/zinc/20/75/63/573207563.db2.gz VELZRBIJOLXYFM-ZETCQYMHSA-N 0 0 197.303 2.155 10 0 AEAERN C[C@@H](O)C[C@@H](C)c1ccoc1 82811898 573207579 /nfs/dbraw/zinc/20/75/79/573207579.db2.gz DMFPKDNLEGLYHS-HTQZYQBOSA-N 0 0 154.209 2.154 10 0 AEAERN C[C@@H]1C[C@@H]1CC(=O)OCC1(C)CC1 308310507 573207592 /nfs/dbraw/zinc/20/75/92/573207592.db2.gz RAINYBRQGIJEPW-RKDXNWHRSA-N 0 0 182.263 2.376 10 0 AEAERN CC[C@@H](C)c1ccc(C(=O)CN)s1 107188043 573207632 /nfs/dbraw/zinc/20/76/32/573207632.db2.gz GXORNBUWDWPEOB-SSDOTTSWSA-N 0 0 197.303 2.403 10 0 AEAERN CC(=O)C[C@H]1Cc2ccccc2N1C 257970703 573207660 /nfs/dbraw/zinc/20/76/60/573207660.db2.gz DKJMJPXLHLZMPH-NSHDSACASA-N 0 0 189.258 2.027 10 0 AEAERN Cc1ccc([C@@H](C)C[C@H](C)O)cn1 82811647 573207678 /nfs/dbraw/zinc/20/76/78/573207678.db2.gz QUGPQJJVGDVXQN-WPRPVWTQSA-N 0 0 179.263 2.264 10 0 AEAERN C[C@H](O)C[C@H](C)OCc1ccccc1 82815391 573207694 /nfs/dbraw/zinc/20/76/94/573207694.db2.gz ZDGYZKNTFSWSEU-QWRGUYRKSA-N 0 0 194.274 2.363 10 0 AEAERN Cc1c(N)cccc1SC[C@@H](C)O 85933948 573207715 /nfs/dbraw/zinc/20/77/15/573207715.db2.gz OWPGVOQKBWKKCP-SSDOTTSWSA-N 0 0 197.303 2.050 10 0 AEAERN C[C@H](O)C1(Cc2cccs2)CC1 235530254 573207723 /nfs/dbraw/zinc/20/77/23/573207723.db2.gz TZTSCNVSGDTYJH-QMMMGPOBSA-N 0 0 182.288 2.452 10 0 AEAERN Cc1c(N)cccc1SC[C@H](C)O 85933953 573210025 /nfs/dbraw/zinc/21/00/25/573210025.db2.gz OWPGVOQKBWKKCP-ZETCQYMHSA-N 0 0 197.303 2.050 10 0 AEAERN OCCCc1cccc2c1CCS2 257972828 573210971 /nfs/dbraw/zinc/21/09/71/573210971.db2.gz DADHGXGJKGIZNJ-UHFFFAOYSA-N 0 0 194.299 2.260 10 0 AEAERN C[C@H](O)C[C@@H](C)C(C)(C)C 82812157 573211338 /nfs/dbraw/zinc/21/13/38/573211338.db2.gz LHDWJXGRXJTVAB-SFYZADRCSA-N 0 0 144.258 2.440 10 0 AEAERN CC(=O)c1onc2c(C)cccc12 257963996 573209383 /nfs/dbraw/zinc/20/93/83/573209383.db2.gz XUCJIRNZJNTSKQ-UHFFFAOYSA-N 0 0 175.187 2.339 10 0 AEAERN Cc1cccc(SC[C@H](C)O)c1N 85936805 573209384 /nfs/dbraw/zinc/20/93/84/573209384.db2.gz LIJHDWYFZVOXNW-QMMMGPOBSA-N 0 0 197.303 2.050 10 0 AEAERN C[C@@H](C[C@@H](C)O)c1ccco1 82812302 573209393 /nfs/dbraw/zinc/20/93/93/573209393.db2.gz UDLFJGXKTKOBEL-JGVFFNPUSA-N 0 0 154.209 2.154 10 0 AEAERN CC1(Cn2ncc(Cl)c2N)CCC1 686127785 573211426 /nfs/dbraw/zinc/21/14/26/573211426.db2.gz WUBRSRPQHRZDGR-UHFFFAOYSA-N 0 0 199.685 2.309 10 0 AEAERN Cc1cc(SC[C@@H](C)O)ccc1N 85931910 573209402 /nfs/dbraw/zinc/20/94/02/573209402.db2.gz LZAGEALNBLPKMZ-MRVPVSSYSA-N 0 0 197.303 2.050 10 0 AEAERN Cn1ccc2cc(N)cc(Cl)c21 257964564 573209406 /nfs/dbraw/zinc/20/94/06/573209406.db2.gz HHWZBHHMOKDSCF-UHFFFAOYSA-N 0 0 180.638 2.414 10 0 AEAERN CCc1cc2c(cc1O)CCCO2 238313394 573209417 /nfs/dbraw/zinc/20/94/17/573209417.db2.gz KHONNPMYMCGZMH-UHFFFAOYSA-N 0 0 178.231 2.280 10 0 AEAERN C[C@@H]1CCc2cc([C@@H](C)O)ccc2O1 257972787 573211430 /nfs/dbraw/zinc/21/14/30/573211430.db2.gz CXZMKBDBBFKMQS-RKDXNWHRSA-N 0 0 192.258 2.453 10 0 AEAERN Cc1ccc(N(C)C)c(C2(O)CC2)c1 257965142 573209461 /nfs/dbraw/zinc/20/94/61/573209461.db2.gz CGDUVVJXXUIOBS-UHFFFAOYSA-N 0 0 191.274 2.042 10 0 AEAERN CC1(C)C(c2ocnc2CO)C1(C)C 85942314 573209498 /nfs/dbraw/zinc/20/94/98/573209498.db2.gz MZIRYXOQPYAIMO-UHFFFAOYSA-N 0 0 195.262 2.317 10 0 AEAERN COc1ccc([C@H](NO)C2CC2)cc1 132086445 573209505 /nfs/dbraw/zinc/20/95/05/573209505.db2.gz RUNSPMIIKGPFSE-LLVKDONJSA-N 0 0 193.246 2.125 10 0 AEAERN Cc1ccc(-c2ocnc2CO)s1 85942564 573209552 /nfs/dbraw/zinc/20/95/52/573209552.db2.gz WSKWUXQPLXUFES-UHFFFAOYSA-N 0 0 195.243 2.204 10 0 AEAERN CC(C)[C@@H]1Nc2ccsc2NC1=O 82320829 573209567 /nfs/dbraw/zinc/20/95/67/573209567.db2.gz CXEIQCCGNPQXRF-ZETCQYMHSA-N 0 0 196.275 2.137 10 0 AEAERN C[C@H](O)CCN(C)c1cccc(F)c1 50006945 573209610 /nfs/dbraw/zinc/20/96/10/573209610.db2.gz HTNJQUDQIPTADS-VIFPVBQESA-N 0 0 197.253 2.033 10 0 AEAERN CC[C@]1([C@@H](C)O)OC(C)(C)C1(C)C 238313036 573209622 /nfs/dbraw/zinc/20/96/22/573209622.db2.gz HRPHGCJPOHFAMX-LDYMZIIASA-N 0 0 186.295 2.351 10 0 AEAERN CC(F)(F)Cc1ccccn1 226039776 573209647 /nfs/dbraw/zinc/20/96/47/573209647.db2.gz UWPQZSNILKJLQI-UHFFFAOYSA-N 0 0 157.163 2.279 10 0 AEAERN Cc1cc(SC[C@H](C)O)ccc1N 85931914 573209711 /nfs/dbraw/zinc/20/97/11/573209711.db2.gz LZAGEALNBLPKMZ-QMMMGPOBSA-N 0 0 197.303 2.050 10 0 AEAERN CN1CCc2c[nH]c3cccc1c23 238313150 573209767 /nfs/dbraw/zinc/20/97/67/573209767.db2.gz CXMFIVALUNLYCJ-UHFFFAOYSA-N 0 0 172.231 2.160 10 0 AEAERN CCC1=NC[C@H](CC)S1 238312287 573209784 /nfs/dbraw/zinc/20/97/84/573209784.db2.gz YYKFUDLXRXMAGN-LURJTMIESA-N 0 0 143.255 2.320 10 0 AEAERN C[C@@H]1CSc2cc(CO)ccc2N1 259372976 573209843 /nfs/dbraw/zinc/20/98/43/573209843.db2.gz VOGVFVLNPZGNSP-SSDOTTSWSA-N 0 0 195.287 2.085 10 0 AEAERN Cc1ccc(N)cc1SC[C@H](C)O 85934791 573209883 /nfs/dbraw/zinc/20/98/83/573209883.db2.gz IRTRFYMAVSHBFF-QMMMGPOBSA-N 0 0 197.303 2.050 10 0 AEAERN CC[C@H]1CN=C(Br)S1 238312272 573209899 /nfs/dbraw/zinc/20/98/99/573209899.db2.gz FPQXKBWVQGXHMM-BYPYZUCNSA-N 0 0 194.097 2.263 10 0 AEAERN CC(C)(C)N1N=C2CCCC[C@@H]2C1=O 104708962 573209902 /nfs/dbraw/zinc/20/99/02/573209902.db2.gz IIVHOMWUXSZWRS-QMMMGPOBSA-N 0 0 194.278 2.173 10 0 AEAERN C/C(=C/[C@H](C)O)c1cncc(F)c1 235535539 573209960 /nfs/dbraw/zinc/20/99/60/573209960.db2.gz TVPDKRFNZHHBJQ-PFPYCLJUSA-N 0 0 181.210 2.005 10 0 AEAERN C[C@@H](C[C@@H](C)O)c1cncc(F)c1 82811944 573210007 /nfs/dbraw/zinc/21/00/07/573210007.db2.gz ZTJUSSJXLWKVHQ-JGVFFNPUSA-N 0 0 183.226 2.095 10 0 AEAERN Cc1ccc(N)cc1SC[C@@H](C)O 85934787 573210074 /nfs/dbraw/zinc/21/00/74/573210074.db2.gz IRTRFYMAVSHBFF-MRVPVSSYSA-N 0 0 197.303 2.050 10 0 AEAERN Nc1cc(F)cc(-c2ncco2)c1F 222890640 573210138 /nfs/dbraw/zinc/21/01/38/573210138.db2.gz OCFWQZSYAISWJK-UHFFFAOYSA-N 0 0 196.156 2.202 10 0 AEAERN C[C@H](O)[C@@H]1CCC[C@@H](C)C1 82815814 573210169 /nfs/dbraw/zinc/21/01/69/573210169.db2.gz ADYKWYVGRZVJBC-HRDYMLBCSA-N 0 0 142.242 2.194 10 0 AEAERN CCCc1csc(CC(C)(C)O)n1 259373028 573210172 /nfs/dbraw/zinc/21/01/72/573210172.db2.gz VNGIVFWHHMMVTP-UHFFFAOYSA-N 0 0 199.319 2.409 10 0 AEAERN Cc1nc2c([C@@H](C)O)cccc2o1 257971404 573210184 /nfs/dbraw/zinc/21/01/84/573210184.db2.gz IIQXUQMMNDGHIE-ZCFIWIBFSA-N 0 0 177.203 2.190 10 0 AEAERN Cc1ccc(C[C@H](C)O)c(F)c1F 257972795 573210842 /nfs/dbraw/zinc/21/08/42/573210842.db2.gz CYRBTZKHLGATSQ-ZETCQYMHSA-N 0 0 186.201 2.197 10 0 AEAERN C[C@H](O)C[C@H](C)c1cncc(F)c1 82811947 573210235 /nfs/dbraw/zinc/21/02/35/573210235.db2.gz ZTJUSSJXLWKVHQ-YUMQZZPRSA-N 0 0 183.226 2.095 10 0 AEAERN NOCc1ccccc1C1CCC1 257971491 573210243 /nfs/dbraw/zinc/21/02/43/573210243.db2.gz IKHUNXAPFSFZPW-UHFFFAOYSA-N 0 0 177.247 2.344 10 0 AEAERN CC(=O)c1ccc(Cl)c(F)c1O 115688715 573210338 /nfs/dbraw/zinc/21/03/38/573210338.db2.gz NSHSDKBFDBVWCJ-UHFFFAOYSA-N 0 0 188.585 2.387 10 0 AEAERN C[C@H](O)C[C@H](C)c1ccoc1 82811900 573210346 /nfs/dbraw/zinc/21/03/46/573210346.db2.gz DMFPKDNLEGLYHS-YUMQZZPRSA-N 0 0 154.209 2.154 10 0 AEAERN CCOC[C@H](C)OC(=O)CC(C)C 308308915 573210377 /nfs/dbraw/zinc/21/03/77/573210377.db2.gz PSDJNBFKCXNBTO-VIFPVBQESA-N 0 0 188.267 2.001 10 0 AEAERN CCc1cc2c(cc1C)OCCO2 259372863 573210389 /nfs/dbraw/zinc/21/03/89/573210389.db2.gz MVOHZFUWOGJSED-UHFFFAOYSA-N 0 0 178.231 2.329 10 0 AEAERN COCSc1ccc(N)c(C)c1 85931521 573210390 /nfs/dbraw/zinc/21/03/90/573210390.db2.gz JBOIRMWKGMBKOO-UHFFFAOYSA-N 0 0 183.276 2.273 10 0 AEAERN CN(CCCCO)c1cccc(F)c1 50006289 573210399 /nfs/dbraw/zinc/21/03/99/573210399.db2.gz FTCYCQKOLNGHOR-UHFFFAOYSA-N 0 0 197.253 2.034 10 0 AEAERN Cc1ccc(N(C)CCCCO)cc1 50006263 573210414 /nfs/dbraw/zinc/21/04/14/573210414.db2.gz ZHQUSBBTXFBZCY-UHFFFAOYSA-N 0 0 193.290 2.204 10 0 AEAERN C[C@H](F)c1cc(C[C@@H](C)O)ccc1O 257972850 573210426 /nfs/dbraw/zinc/21/04/26/573210426.db2.gz DATBBEWPWHNBLJ-SFYZADRCSA-N 0 0 198.237 2.346 10 0 AEAERN Cc1nc2c([C@H](C)O)cccc2o1 257971401 573210431 /nfs/dbraw/zinc/21/04/31/573210431.db2.gz IIQXUQMMNDGHIE-LURJTMIESA-N 0 0 177.203 2.190 10 0 AEAERN Cc1ccc(-c2ocnc2CO)cc1 85942568 573210436 /nfs/dbraw/zinc/21/04/36/573210436.db2.gz DSKICPWYNPFDRK-UHFFFAOYSA-N 0 0 189.214 2.142 10 0 AEAERN CC(C)c1cc(F)cc(CCON)c1 257971070 573210455 /nfs/dbraw/zinc/21/04/55/573210455.db2.gz CVWSRVAIPZCPCL-UHFFFAOYSA-N 0 0 197.253 2.382 10 0 AEAERN CC(=O)c1cc(C2CCC2)on1 259375010 573210457 /nfs/dbraw/zinc/21/04/57/573210457.db2.gz VTBSMTCKGQTKBN-UHFFFAOYSA-N 0 0 165.192 2.145 10 0 AEAERN C[C@H](O)c1ccc2c(c1)CC[C@@H](C)O2 257972784 573210469 /nfs/dbraw/zinc/21/04/69/573210469.db2.gz CXZMKBDBBFKMQS-BDAKNGLRSA-N 0 0 192.258 2.453 10 0 AEAERN Nc1cccc(S[C@@H]2CCOC2)c1 85927539 573210486 /nfs/dbraw/zinc/21/04/86/573210486.db2.gz BWNXMIRUPIMNRE-SNVBAGLBSA-N 0 0 195.287 2.150 10 0 AEAERN COCSc1cccc(C)c1N 85937273 573210576 /nfs/dbraw/zinc/21/05/76/573210576.db2.gz SWZIOIGFBBVGCR-UHFFFAOYSA-N 0 0 183.276 2.273 10 0 AEAERN CCCc1nc2n(n1)CCC[C@@H]2C 258252341 573210594 /nfs/dbraw/zinc/21/05/94/573210594.db2.gz HRJPLKLJGZNJQN-QMMMGPOBSA-N 0 0 179.267 2.128 10 0 AEAERN Cc1cccc2c1N(C)C1(CC1)CN2 259374991 573210598 /nfs/dbraw/zinc/21/05/98/573210598.db2.gz VSXAOUICIWBKKR-UHFFFAOYSA-N 0 0 188.274 2.389 10 0 AEAERN CC[C@H](O)CN(C)c1ccc(C)cc1 50006270 573210614 /nfs/dbraw/zinc/21/06/14/573210614.db2.gz RICPJEJHLMXRAS-LBPRGKRZSA-N 0 0 193.290 2.202 10 0 AEAERN COCSc1cc(N)ccc1C 85935328 573210663 /nfs/dbraw/zinc/21/06/63/573210663.db2.gz NNUPMYSRPIYZDO-UHFFFAOYSA-N 0 0 183.276 2.273 10 0 AEAERN CC(C)[C@H]1Nc2ccsc2NC1=O 82320826 573210668 /nfs/dbraw/zinc/21/06/68/573210668.db2.gz CXEIQCCGNPQXRF-SSDOTTSWSA-N 0 0 196.275 2.137 10 0 AEAERN CCc1c[nH]c2c1C(=O)C[C@@H](C)C2 238307310 573210711 /nfs/dbraw/zinc/21/07/11/573210711.db2.gz ZIVVUSWPCYLOSC-ZETCQYMHSA-N 0 0 177.247 2.342 10 0 AEAERN CC[C@]1(C)OC(=N)C=C1NCC(C)C 238306803 573210723 /nfs/dbraw/zinc/21/07/23/573210723.db2.gz OGJRRCCJQDMGAH-NSHDSACASA-N 0 0 196.294 2.292 10 0 AEAERN Cc1ccc([C@H](C)C[C@H](C)O)cn1 82811649 573210756 /nfs/dbraw/zinc/21/07/56/573210756.db2.gz QUGPQJJVGDVXQN-SCZZXKLOSA-N 0 0 179.263 2.264 10 0 AEAERN C[C@H](CO)c1cccc2scnc12 257971124 573210777 /nfs/dbraw/zinc/21/07/77/573210777.db2.gz CWUUZNWFWFNRAB-SSDOTTSWSA-N 0 0 193.271 2.392 10 0 AEAERN C/C=C\CCNC(=O)CC(C)(F)F 308308862 573210795 /nfs/dbraw/zinc/21/07/95/573210795.db2.gz PWWGQNJAFADLOJ-ARJAWSKDSA-N 0 0 191.221 2.114 10 0 AEAERN COCSc1cccc(N)c1C 85934464 573210867 /nfs/dbraw/zinc/21/08/67/573210867.db2.gz CXKWOOVSVHTEAC-UHFFFAOYSA-N 0 0 183.276 2.273 10 0 AEAERN C[C@@H](C[C@@H](C)O)OCc1ccccc1 82815392 573210967 /nfs/dbraw/zinc/21/09/67/573210967.db2.gz ZDGYZKNTFSWSEU-MNOVXSKESA-N 0 0 194.274 2.363 10 0 AEAERN OCC1=CC2=CC=CC3=CC=CC(=C1)C32 257972635 573211011 /nfs/dbraw/zinc/21/10/11/573211011.db2.gz IMBBEVWINHZQDS-UHFFFAOYSA-N 0 0 196.249 2.454 10 0 AEAERN C[C@@H]1Nc2c(O)cccc2[C@@H]1C 257971535 573211029 /nfs/dbraw/zinc/21/10/29/573211029.db2.gz ILGLPLGUAMOVHT-RQJHMYQMSA-N 0 0 163.220 2.310 10 0 AEAERN Nc1cc(-c2cccc3[nH]ccc23)[nH]n1 257972790 573211058 /nfs/dbraw/zinc/21/10/58/573211058.db2.gz CYKOAONMLWXZAJ-UHFFFAOYSA-N 0 0 198.229 2.140 10 0 AEAERN CC(=O)CC(C)(C)C1CC1 82816152 573211076 /nfs/dbraw/zinc/21/10/76/573211076.db2.gz RECCMUJDIPDIMC-UHFFFAOYSA-N 0 0 140.226 2.402 10 0 AEAERN Cc1cccc(-c2ocnc2CO)c1 85942137 573211114 /nfs/dbraw/zinc/21/11/14/573211114.db2.gz LQIXIHFPTSESCT-UHFFFAOYSA-N 0 0 189.214 2.142 10 0 AEAERN CCc1c[nH]c(=O)c2sc(C)cc12 238306833 573211115 /nfs/dbraw/zinc/21/11/15/573211115.db2.gz BQVJVGSRTQPDNR-UHFFFAOYSA-N 0 0 193.271 2.460 10 0 AEAERN CCc1c[nH]c(=O)c2ccsc12 238306798 573211162 /nfs/dbraw/zinc/21/11/62/573211162.db2.gz UKCKIKFDIILYHA-UHFFFAOYSA-N 0 0 179.244 2.152 10 0 AEAERN C[C@H]1Nc2c(O)cccc2[C@H]1C 257971532 573211169 /nfs/dbraw/zinc/21/11/69/573211169.db2.gz ILGLPLGUAMOVHT-NKWVEPMBSA-N 0 0 163.220 2.310 10 0 AEAERN C[C@@H](O)Cc1ccc(O)c([C@@H](C)F)c1 257972847 573211209 /nfs/dbraw/zinc/21/12/09/573211209.db2.gz DATBBEWPWHNBLJ-HTQZYQBOSA-N 0 0 198.237 2.346 10 0 AEAERN CCSc1ncc(C)n1CC 257971363 573211245 /nfs/dbraw/zinc/21/12/45/573211245.db2.gz ABBMPFXNZOACRO-UHFFFAOYSA-N 0 0 170.281 2.323 10 0 AEAERN CCOCSc1cccc(N)c1 85927457 573211465 /nfs/dbraw/zinc/21/14/65/573211465.db2.gz TWCZZBRZFRULSL-UHFFFAOYSA-N 0 0 183.276 2.355 10 0 AEAERN Clc1n[nH]cc1OC1CCCC1 258586470 573211305 /nfs/dbraw/zinc/21/13/05/573211305.db2.gz QCOGWUDDAUMGIQ-UHFFFAOYSA-N 0 0 186.642 2.385 10 0 AEAERN Cc1cc2ccn(C)c2c(C)c1N 257972765 573211323 /nfs/dbraw/zinc/21/13/23/573211323.db2.gz IQGSYCPIVRNPRU-UHFFFAOYSA-N 0 0 174.247 2.377 10 0 AEAERN C[C@@H](F)Oc1ccc2c(c1)NCC2 257971058 573211362 /nfs/dbraw/zinc/21/13/62/573211362.db2.gz KDKJWPIYPFNNMP-ZETCQYMHSA-N 0 0 181.210 2.349 10 0 AEAERN Cc1noc(N[C@H]2CCC(C)(C)C2)n1 235967973 573213758 /nfs/dbraw/zinc/21/37/58/573213758.db2.gz RTNCVRVNINPGIR-QMMMGPOBSA-N 0 0 195.266 2.369 10 0 AEAERN CCc1c[nH]c(=O)c2c(C)csc12 238306761 573213611 /nfs/dbraw/zinc/21/36/11/573213611.db2.gz ODLRLIZPEOHYOY-UHFFFAOYSA-N 0 0 193.271 2.460 10 0 AEAERN O=Cc1cccc([C@@H](O)C2CCC2)c1 259603573 573214058 /nfs/dbraw/zinc/21/40/58/573214058.db2.gz DGXIAGFNQRWYSH-LBPRGKRZSA-N 0 0 190.242 2.333 10 0 AEAERN CC[C@]1(C)OC(C)(C)CCC1=O 238307116 573214105 /nfs/dbraw/zinc/21/41/05/573214105.db2.gz FCYVJMDTERCMPB-JTQLQIEISA-N 0 0 170.252 2.313 10 0 AEAERN Cc1cc(C(=O)C(C)(C)O)ccc1F 235737819 573213348 /nfs/dbraw/zinc/21/33/48/573213348.db2.gz OABCRNRZILPXOR-UHFFFAOYSA-N 0 0 196.221 2.088 10 0 AEAERN Cc1ccc(C(C)(C)C[C@@H](C)O)cn1 82817090 573214110 /nfs/dbraw/zinc/21/41/10/573214110.db2.gz WPIOBQMGOQGMHC-SNVBAGLBSA-N 0 0 193.290 2.439 10 0 AEAERN Cc1noc(N[C@@H]2CCCC2(C)C)n1 235967601 573213387 /nfs/dbraw/zinc/21/33/87/573213387.db2.gz GOFFECZLFAILST-MRVPVSSYSA-N 0 0 195.266 2.369 10 0 AEAERN NOCc1cccc2c(Cl)c[nH]c12 257971078 573213410 /nfs/dbraw/zinc/21/34/10/573213410.db2.gz CVYWSVFDAIZUMS-UHFFFAOYSA-N 0 0 196.637 2.212 10 0 AEAERN Cc1cnnc(NC[C@H]2CC2(C)C)c1 235977781 573213419 /nfs/dbraw/zinc/21/34/19/573213419.db2.gz QUXGPOCACWPWMC-SECBINFHSA-N 0 0 191.278 2.243 10 0 AEAERN CO[C@H]1CCCc2cccc(N)c21 257971995 573213457 /nfs/dbraw/zinc/21/34/57/573213457.db2.gz YSGONSLOBFYYNP-JTQLQIEISA-N 0 0 177.247 2.293 10 0 AEAERN Cc1cc(O)c(Cl)c(C)c1O 115749447 573214124 /nfs/dbraw/zinc/21/41/24/573214124.db2.gz CLRNPTBOENZNQR-UHFFFAOYSA-N 0 0 172.611 2.368 10 0 AEAERN CCc1c[nH]c(=O)c2sccc12 238306882 573213506 /nfs/dbraw/zinc/21/35/06/573213506.db2.gz YSIGVXJZMBLXFO-UHFFFAOYSA-N 0 0 179.244 2.152 10 0 AEAERN Cc1noc(N[C@H]2CCCC2(C)C)n1 235967998 573213524 /nfs/dbraw/zinc/21/35/24/573213524.db2.gz GOFFECZLFAILST-QMMMGPOBSA-N 0 0 195.266 2.369 10 0 AEAERN C[C@H](O)CC(C)(C)c1ccoc1 82817144 573213538 /nfs/dbraw/zinc/21/35/38/573213538.db2.gz AUDJTXMVVCHIEC-QMMMGPOBSA-N 0 0 168.236 2.328 10 0 AEAERN Cc1ccc(C[C@@H](C)O)c(F)c1F 257972794 573213564 /nfs/dbraw/zinc/21/35/64/573213564.db2.gz CYRBTZKHLGATSQ-SSDOTTSWSA-N 0 0 186.201 2.197 10 0 AEAERN CC[C@H](O)CCCCCF 238306741 573213604 /nfs/dbraw/zinc/21/36/04/573213604.db2.gz UBOIVUIQAVVUOI-QMMMGPOBSA-N 0 0 148.221 2.287 10 0 AEAERN C[C@@H](O)Cc1cccc(CCF)c1 257970972 573213701 /nfs/dbraw/zinc/21/37/01/573213701.db2.gz CTTDJRDXKAJYET-SECBINFHSA-N 0 0 182.238 2.122 10 0 AEAERN Cc1cc(Cl)c(F)c(CON)c1 257972813 573213714 /nfs/dbraw/zinc/21/37/14/573213714.db2.gz CZQDXAMFLWZROA-UHFFFAOYSA-N 0 0 189.617 2.178 10 0 AEAERN CCc1cc2c(cc1F)OCO2 238313562 573213718 /nfs/dbraw/zinc/21/37/18/573213718.db2.gz CAWMZTVNKZTTSF-UHFFFAOYSA-N 0 0 168.167 2.117 10 0 AEAERN O=[S@](c1ccccc1F)C(F)F 82818034 573214142 /nfs/dbraw/zinc/21/41/42/573214142.db2.gz OYLKAKAYUIALIX-LBPRGKRZSA-N 0 0 194.177 2.156 10 0 AEAERN CCc1ccc(F)c(CC2(O)CC2)c1 257971136 573213861 /nfs/dbraw/zinc/21/38/61/573213861.db2.gz CXACAWRYYNJLMR-UHFFFAOYSA-N 0 0 194.249 2.456 10 0 AEAERN C[C@H]1CCc2cc([C@H](C)O)ccc2O1 257972786 573213887 /nfs/dbraw/zinc/21/38/87/573213887.db2.gz CXZMKBDBBFKMQS-IUCAKERBSA-N 0 0 192.258 2.453 10 0 AEAERN CCC[C@@H]1Cc2c(N)cccc2O1 115748065 573213999 /nfs/dbraw/zinc/21/39/99/573213999.db2.gz GVOIGPOOMAVFHP-MRVPVSSYSA-N 0 0 177.247 2.372 10 0 AEAERN Cn1c(Cl)cnc1Cc1ccco1 258586935 573214036 /nfs/dbraw/zinc/21/40/36/573214036.db2.gz RFHCVTWJZJWUHK-UHFFFAOYSA-N 0 0 196.637 2.257 10 0 AEAERN Nc1ccc(CNc2ccccc2)nc1 129061943 573214206 /nfs/dbraw/zinc/21/42/06/573214206.db2.gz BXYGKZGBSQZHON-UHFFFAOYSA-N 0 0 199.257 2.276 10 0 AEAERN CC[C@H]1CC[C@@H](C)C(=O)C1 238307332 573214170 /nfs/dbraw/zinc/21/41/70/573214170.db2.gz HURCRQHMCAQCCB-SFYZADRCSA-N 0 0 140.226 2.402 10 0 AEAERN Cc1ccccc1CC(F)(F)CO 257973221 573214671 /nfs/dbraw/zinc/21/46/71/573214671.db2.gz YWJPACZXQQSRFE-UHFFFAOYSA-N 0 0 186.201 2.165 10 0 AEAERN CC(C)[S@@](=O)c1ccc(F)cc1 82818183 573214698 /nfs/dbraw/zinc/21/46/98/573214698.db2.gz GGMAAEWRAIVJPI-LBPRGKRZSA-N 0 0 186.251 2.342 10 0 AEAERN COCc1nc2c(Cl)cccc2[nH]1 82821762 573214711 /nfs/dbraw/zinc/21/47/11/573214711.db2.gz LZPHIRVHIJRDCR-UHFFFAOYSA-N 0 0 196.637 2.363 10 0 AEAERN CCC[S@@](=O)c1ccccc1F 82817980 573214719 /nfs/dbraw/zinc/21/47/19/573214719.db2.gz FBLJOYBZIKVNGV-LBPRGKRZSA-N 0 0 186.251 2.343 10 0 AEAERN CCc1cc(CC)c2c(c1)CC(=O)N2 238307222 573214755 /nfs/dbraw/zinc/21/47/55/573214755.db2.gz KRZJSMQEXLIGLM-UHFFFAOYSA-N 0 0 189.258 2.306 10 0 AEAERN C[C@H]1C[C@H](C(N)=S)CC[C@H]1C 82841808 573223792 /nfs/dbraw/zinc/22/37/92/573223792.db2.gz FXFRASQZGQJQJH-GJMOJQLCSA-N 0 0 171.309 2.345 10 0 AEAERN C[C@H](O)CC(C)(C)c1ccco1 82817244 573215651 /nfs/dbraw/zinc/21/56/51/573215651.db2.gz MHMPKSTXJUPXPR-QMMMGPOBSA-N 0 0 168.236 2.328 10 0 AEAERN CCC(CC)[C@@]1(O)CC[C@@H](C)OC1 401839391 573215663 /nfs/dbraw/zinc/21/56/63/573215663.db2.gz SFWOIOCGBSMICO-MWLCHTKSSA-N 0 0 186.295 2.353 10 0 AEAERN CCC[S@](=O)c1ccccc1F 82817981 573215669 /nfs/dbraw/zinc/21/56/69/573215669.db2.gz FBLJOYBZIKVNGV-GFCCVEGCSA-N 0 0 186.251 2.343 10 0 AEAERN Cc1noc(NCC2(C)CCCC2)n1 235963831 573215671 /nfs/dbraw/zinc/21/56/71/573215671.db2.gz XTEUHEDIMYVSQZ-UHFFFAOYSA-N 0 0 195.266 2.370 10 0 AEAERN COc1csc(C(=O)OC2CC2)c1 308316780 573215707 /nfs/dbraw/zinc/21/57/07/573215707.db2.gz XJYSICDESRVGMJ-UHFFFAOYSA-N 0 0 198.243 2.076 10 0 AEAERN Cc1ccc(/C=C(/CO)C(C)C)nc1 308316614 573215721 /nfs/dbraw/zinc/21/57/21/573215721.db2.gz FJIBMCGWIAYQOD-WDZFZDKYSA-N 0 0 191.274 2.422 10 0 AEAERN CCc1c[nH]c2c(OC)cc(N)cc12 238308262 573215801 /nfs/dbraw/zinc/21/58/01/573215801.db2.gz CQKHMXVDWSWERT-UHFFFAOYSA-N 0 0 190.246 2.321 10 0 AEAERN C[C@H](O)CC(C)(C)c1cncc(F)c1 82817156 573215819 /nfs/dbraw/zinc/21/58/19/573215819.db2.gz INBKWSXVRBEWCF-QMMMGPOBSA-N 0 0 197.253 2.269 10 0 AEAERN CCO[P@@](=O)(CC)CC=O 238308053 573215830 /nfs/dbraw/zinc/21/58/30/573215830.db2.gz UCFLJJOWGBFHAG-PORFMDCZSA-N 0 0 164.141 2.350 10 0 AEAERN CCSCCCNOCC(C)C 129065360 573215838 /nfs/dbraw/zinc/21/58/38/573215838.db2.gz GKUOIZXJZXSFGY-UHFFFAOYSA-N 0 0 191.340 2.307 10 0 AEAERN CCC(C)(C)OC(=O)CCC(C)=O 308316494 573215842 /nfs/dbraw/zinc/21/58/42/573215842.db2.gz VWTLZDNJDMXPRX-UHFFFAOYSA-N 0 0 186.251 2.087 10 0 AEAERN O=[S@](c1ccc(F)cc1)C(F)F 82818304 573216033 /nfs/dbraw/zinc/21/60/33/573216033.db2.gz LIUZZMFBTSVFKS-LBPRGKRZSA-N 0 0 194.177 2.156 10 0 AEAERN CO[C@H](C(=O)C(C)(C)C)C1CC1 132106027 573216068 /nfs/dbraw/zinc/21/60/68/573216068.db2.gz KMHCLMMQLDCVRD-QMMMGPOBSA-N 0 0 170.252 2.027 10 0 AEAERN CC[C@H](O)C[C@H]1COc2ccccc21 238308880 573216103 /nfs/dbraw/zinc/21/61/03/573216103.db2.gz LSROMNZSBXKPRC-UWVGGRQHSA-N 0 0 192.258 2.324 10 0 AEAERN Cc1cnnc(NCC2(C)CCC2)c1 235974782 573216183 /nfs/dbraw/zinc/21/61/83/573216183.db2.gz URQALLXGKOQJMP-UHFFFAOYSA-N 0 0 191.278 2.387 10 0 AEAERN Cc1cc(C)c(O)c(N(C)C)c1 238308617 573216190 /nfs/dbraw/zinc/21/61/90/573216190.db2.gz KTSBOKVUTIOUDP-UHFFFAOYSA-N 0 0 165.236 2.075 10 0 AEAERN CC(C)C(C)(C)C[C@@H](C)O 82817098 573216210 /nfs/dbraw/zinc/21/62/10/573216210.db2.gz UYKSWVGEUDVEHP-MRVPVSSYSA-N 0 0 144.258 2.440 10 0 AEAERN Cc1cnnc(NC[C@@H]2CC2(C)C)c1 235976524 573216220 /nfs/dbraw/zinc/21/62/20/573216220.db2.gz QUXGPOCACWPWMC-VIFPVBQESA-N 0 0 191.278 2.243 10 0 AEAERN CCc1c[nH]c2cccc(N)c12 238308862 573216231 /nfs/dbraw/zinc/21/62/31/573216231.db2.gz PXRXHWQXXJVUTK-UHFFFAOYSA-N 0 0 160.220 2.313 10 0 AEAERN Cc1cc(C)c2c(CO)nsc2c1 115771772 573216234 /nfs/dbraw/zinc/21/62/34/573216234.db2.gz BCZCWCKZRCDFLC-UHFFFAOYSA-N 0 0 193.271 2.405 10 0 AEAERN C[C@@H](O)CC(C)(C)C1CCOCC1 82817081 573216237 /nfs/dbraw/zinc/21/62/37/573216237.db2.gz SGIHHAGKOSNPST-SECBINFHSA-N 0 0 186.295 2.210 10 0 AEAERN CCc1cccc2sc(CO)nc12 238308628 573216239 /nfs/dbraw/zinc/21/62/39/573216239.db2.gz LDOLLEQXZOBPHN-UHFFFAOYSA-N 0 0 193.271 2.351 10 0 AEAERN O=[S@@](c1ccccc1F)C(F)F 82818035 573216370 /nfs/dbraw/zinc/21/63/70/573216370.db2.gz OYLKAKAYUIALIX-GFCCVEGCSA-N 0 0 194.177 2.156 10 0 AEAERN CC(=O)Nc1cc(C)cc(N(C)C)c1 238308697 573216411 /nfs/dbraw/zinc/21/64/11/573216411.db2.gz FCGCJTMDQYMTTB-UHFFFAOYSA-N 0 0 192.262 2.019 10 0 AEAERN CC(C)S[C@@H]1CCC(=O)C1 82819855 573216425 /nfs/dbraw/zinc/21/64/25/573216425.db2.gz DBGLVNHMSASBJI-MRVPVSSYSA-N 0 0 158.266 2.250 10 0 AEAERN C[C@H]1Cc2nc(N)sc2[C@H](C)C1 82829404 573216435 /nfs/dbraw/zinc/21/64/35/573216435.db2.gz RJSBSHMKUZNQBY-PHDIDXHHSA-N 0 0 182.292 2.411 10 0 AEAERN C[C@H](O)CC(C)(C)C1CCOCC1 82817080 573216463 /nfs/dbraw/zinc/21/64/63/573216463.db2.gz SGIHHAGKOSNPST-VIFPVBQESA-N 0 0 186.295 2.210 10 0 AEAERN OC/C(F)=C/Cc1ccc(F)cc1 115775636 573216469 /nfs/dbraw/zinc/21/64/69/573216469.db2.gz QOWCJRVGXCPOLF-POHAHGRESA-N 0 0 184.185 2.214 10 0 AEAERN C[C@@H]1Cc2nc(N)sc2[C@H](C)C1 82829403 573216475 /nfs/dbraw/zinc/21/64/75/573216475.db2.gz RJSBSHMKUZNQBY-NTSWFWBYSA-N 0 0 182.292 2.411 10 0 AEAERN C[C@@H](O)CC(C)(C)c1ccoc1 82817145 573216672 /nfs/dbraw/zinc/21/66/72/573216672.db2.gz AUDJTXMVVCHIEC-MRVPVSSYSA-N 0 0 168.236 2.328 10 0 AEAERN CC(C)[S@](=O)c1ccc(F)cc1 82818187 573216601 /nfs/dbraw/zinc/21/66/01/573216601.db2.gz GGMAAEWRAIVJPI-GFCCVEGCSA-N 0 0 186.251 2.342 10 0 AEAERN CC[C@H](C)COC(=O)C(C)(C)OC 308316756 573216602 /nfs/dbraw/zinc/21/66/02/573216602.db2.gz VYQZOOSVLJMXTP-QMMMGPOBSA-N 0 0 188.267 2.001 10 0 AEAERN Cc1cccc2[nH]c(C(C)(C)O)nc12 82821723 573216612 /nfs/dbraw/zinc/21/66/12/573216612.db2.gz RHDTYBHGCCKDED-UHFFFAOYSA-N 0 0 190.246 2.099 10 0 AEAERN C[C@@H]1Cc2[nH]c(=NN)sc2[C@H](C)C1 82830910 573217657 /nfs/dbraw/zinc/21/76/57/573217657.db2.gz YYEJPYBWYVBVRC-NTSWFWBYSA-N 0 0 197.307 2.115 10 0 AEAERN N#Cc1cccc2oc(Cl)nc12 115734161 573217934 /nfs/dbraw/zinc/21/79/34/573217934.db2.gz RBXZWIWKSKQOMM-UHFFFAOYSA-N 0 0 178.578 2.353 10 0 AEAERN CNc1ncc2c(n1)C[C@@H](C)C[C@H]2C 82831908 573217509 /nfs/dbraw/zinc/21/75/09/573217509.db2.gz BOCCANXVXAYQNK-JGVFFNPUSA-N 0 0 191.278 2.204 10 0 AEAERN CNc1n[nH]c2c1[C@@H](C)C[C@@H](C)C2 82831837 573217530 /nfs/dbraw/zinc/21/75/30/573217530.db2.gz ULQKXJXAXIYTKY-RQJHMYQMSA-N 0 0 179.267 2.137 10 0 AEAERN Cc1c(Cl)ccnc1[C@@H](O)C1CC1 115761089 573217563 /nfs/dbraw/zinc/21/75/63/573217563.db2.gz FEWDOXUVZITTJJ-JTQLQIEISA-N 0 0 197.665 2.487 10 0 AEAERN CCSc1cc(C)c(N)cn1 86003629 573217617 /nfs/dbraw/zinc/21/76/17/573217617.db2.gz PVSOYPHXKVWYQL-UHFFFAOYSA-N 0 0 168.265 2.084 10 0 AEAERN Cc1ccc(O)c([C@H](C)CO)c1C 257974364 573217621 /nfs/dbraw/zinc/21/76/21/573217621.db2.gz IRHYWXVQBKROLI-MRVPVSSYSA-N 0 0 180.247 2.105 10 0 AEAERN Cc1noc2ccc(C3(O)CC3)cc12 257972876 573217627 /nfs/dbraw/zinc/21/76/27/573217627.db2.gz DBAHTGVMNRZZCE-UHFFFAOYSA-N 0 0 189.214 2.118 10 0 AEAERN CC[C@@]1(C)C(=O)CC[C@H]1C 238308496 573217668 /nfs/dbraw/zinc/21/76/68/573217668.db2.gz IKRGKXGUKBBVCI-VXNVDRBHSA-N 0 0 140.226 2.402 10 0 AEAERN C[C@@H](O)COC1C[C@H](C)C[C@@H](C)C1 82834537 573217701 /nfs/dbraw/zinc/21/77/01/573217701.db2.gz ZGYGSNPALUEIGX-OPRDCNLKSA-N 0 0 186.295 2.209 10 0 AEAERN C[C@@H]1CC(N2CCC(=O)C2)C[C@@H](C)C1 82835147 573217739 /nfs/dbraw/zinc/21/77/39/573217739.db2.gz UUWLPZIIDDHDAD-UWVGGRQHSA-N 0 0 195.306 2.086 10 0 AEAERN COCC(=O)C1C[C@H](C)C[C@@H](C)C1 82833288 573217764 /nfs/dbraw/zinc/21/77/64/573217764.db2.gz PTDOHJWAKQWBCS-RKDXNWHRSA-N 0 0 184.279 2.274 10 0 AEAERN CC(=O)c1oc(-c2cc[nH]c2)nc1C 77600142 573217801 /nfs/dbraw/zinc/21/78/01/573217801.db2.gz BGFHXIALFTVTDC-UHFFFAOYSA-N 0 0 190.202 2.181 10 0 AEAERN CC(C)[C@@H]1NC(=O)O[C@@H]1c1ccco1 197211847 573217820 /nfs/dbraw/zinc/21/78/20/573217820.db2.gz CKASHNQSDHPMLX-DTWKUNHWSA-N 0 0 195.218 2.085 10 0 AEAERN CCOCc1cc2ccc(O)cc2[nH]1 257973068 573218670 /nfs/dbraw/zinc/21/86/70/573218670.db2.gz IUVXSZJMCQHXOZ-UHFFFAOYSA-N 0 0 191.230 2.410 10 0 AEAERN CC(C)Cc1cc(C=O)c[nH]1 82321949 573218637 /nfs/dbraw/zinc/21/86/37/573218637.db2.gz NLWWGXNHNCCHRA-UHFFFAOYSA-N 0 0 151.209 2.026 10 0 AEAERN O=Cc1c[nH]c(Cc2ccccc2)c1 82321954 573218719 /nfs/dbraw/zinc/21/87/19/573218719.db2.gz FSBHHEGUNZRNHB-UHFFFAOYSA-N 0 0 185.226 2.418 10 0 AEAERN CCCSc1cc(C)c(N)cn1 86003636 573218724 /nfs/dbraw/zinc/21/87/24/573218724.db2.gz LXMWINRHZCILMY-UHFFFAOYSA-N 0 0 182.292 2.474 10 0 AEAERN C[C@H]1Cc2[nH]c(=O)sc2[C@H](C)C1 82830592 573218725 /nfs/dbraw/zinc/21/87/25/573218725.db2.gz OLTPLEMWOTUAOI-PHDIDXHHSA-N 0 0 183.276 2.122 10 0 AEAERN 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180.247 2.365 10 0 AEAERN C[C@H](O)[C@H]1COc2cccc(Cl)c21 257970345 573234090 /nfs/dbraw/zinc/23/40/90/573234090.db2.gz GLWSCZWLCJNLFG-NKWVEPMBSA-N 0 0 198.649 2.197 10 0 AEAERN CCc1cc(CC)c(O)c(C=O)c1O 238322397 573235582 /nfs/dbraw/zinc/23/55/82/573235582.db2.gz HARABJIFHLUVDF-UHFFFAOYSA-N 0 0 194.230 2.035 10 0 AEAERN CNc1c(C)cc(N(C)C)cc1C 238322652 573234813 /nfs/dbraw/zinc/23/48/13/573234813.db2.gz MVYIVYLZDRISPX-UHFFFAOYSA-N 0 0 178.279 2.411 10 0 AEAERN CCc1cnc(Cl)cc1OC 238323833 573234819 /nfs/dbraw/zinc/23/48/19/573234819.db2.gz IWBBIFIVCHCQEW-UHFFFAOYSA-N 0 0 171.627 2.306 10 0 AEAERN CC1(C)C(=O)O[C@@H]1Cc1ccccc1 115938422 573234855 /nfs/dbraw/zinc/23/48/55/573234855.db2.gz HDWMMFGNOHJGES-SNVBAGLBSA-N 0 0 190.242 2.181 10 0 AEAERN COCc1cc(C)c(O)cc1C 238323365 573234899 /nfs/dbraw/zinc/23/48/99/573234899.db2.gz GMBVFNBJZFFXEY-UHFFFAOYSA-N 0 0 166.220 2.155 10 0 AEAERN C[N@@H+]1CC[C@@H]2CCc3ccncc3[C@@H]21 9315 573235554 /nfs/dbraw/zinc/23/55/54/573235554.db2.gz ZZGFWRKTYORFQP-CMPLNLGQSA-N 0 0 188.274 2.021 10 0 AEAERN C/C=C/CCNC(=O)CCC1CC1 308315213 573236101 /nfs/dbraw/zinc/23/61/01/573236101.db2.gz UYBJGHVVVWUIEN-NSCUHMNNSA-N 0 0 181.279 2.259 10 0 AEAERN CCc1cc(C(C)=O)co1 238315892 573244774 /nfs/dbraw/zinc/24/47/74/573244774.db2.gz MFVXXMJNIGWTAA-UHFFFAOYSA-N 0 0 138.166 2.045 10 0 AEAERN CNC(=O)CCC1=CCCCC1 238323931 573237774 /nfs/dbraw/zinc/23/77/74/573237774.db2.gz ANLAAQAJCSGBMZ-UHFFFAOYSA-N 0 0 167.252 2.013 10 0 AEAERN C/C=C(\C)C(=O)OCc1ccoc1 308316225 573237751 /nfs/dbraw/zinc/23/77/51/573237751.db2.gz VOOLTCIHWJESGO-FPYGCLRLSA-N 0 0 180.203 2.289 10 0 AEAERN CNc1ccc(O)c(CC2CC2)c1 238314444 573237792 /nfs/dbraw/zinc/23/77/92/573237792.db2.gz NDSDAGAPAMRRRK-UHFFFAOYSA-N 0 0 177.247 2.386 10 0 AEAERN Cc1cccc(CC[C@H](C)NO)c1 132189308 573238417 /nfs/dbraw/zinc/23/84/17/573238417.db2.gz ZGICEQUVEKCXJN-JTQLQIEISA-N 0 0 179.263 2.295 10 0 AEAERN CO[C@H]1C[C@H]1C(=O)CCC1CCC1 689937125 573237917 /nfs/dbraw/zinc/23/79/17/573237917.db2.gz VCNPCLGQMOHVMS-ONGXEEELSA-N 0 0 182.263 2.171 10 0 AEAERN C[C@H]1CCCCCN1C(=O)C(F)F 235547705 573237989 /nfs/dbraw/zinc/23/79/89/573237989.db2.gz SUKIUPRRWHEPRO-ZETCQYMHSA-N 0 0 191.221 2.043 10 0 AEAERN CC(=O)Cc1cccc(C(C)(C)O)c1 259388053 573237992 /nfs/dbraw/zinc/23/79/92/573237992.db2.gz IKDACTZEKMTJTK-UHFFFAOYSA-N 0 0 192.258 2.046 10 0 AEAERN C/C=C(\CC)C(=O)N(C)CC1CC1 308315956 573238028 /nfs/dbraw/zinc/23/80/28/573238028.db2.gz VMLIZVWHEZEHME-ONNFQVAWSA-N 0 0 181.279 2.211 10 0 AEAERN COCCCCc1cccc(N)c1 212534701 573238033 /nfs/dbraw/zinc/23/80/33/573238033.db2.gz YUXXLVQWRUCLRN-UHFFFAOYSA-N 0 0 179.263 2.238 10 0 AEAERN OCC/C=C\C[C@H]1CCSC1 258241881 573238123 /nfs/dbraw/zinc/23/81/23/573238123.db2.gz QCEJWIPHXPOTJJ-IYABHPQVSA-N 0 0 172.293 2.068 10 0 AEAERN Nc1cccc2cc3n(c12)CCC3 115947530 573238202 /nfs/dbraw/zinc/23/82/02/573238202.db2.gz AARMBCRDWZOLSJ-UHFFFAOYSA-N 0 0 172.231 2.170 10 0 AEAERN CC[C@H](C)[NH2+][C@@H](C(=O)[O-])C1(C)CCC1 686135098 573238262 /nfs/dbraw/zinc/23/82/62/573238262.db2.gz DCBGCMBECNKPEJ-IUCAKERBSA-N 0 0 199.294 2.018 10 0 AEAERN CC[C@@H](C)N(C)C(=O)[C@H](F)C(C)C 308315232 573238345 /nfs/dbraw/zinc/23/83/45/573238345.db2.gz UYZUFODIBVOEJO-RKDXNWHRSA-N 0 0 189.274 2.237 10 0 AEAERN CS/C=C\C(=O)N[C@H](C)CC1CC1 308316084 573238412 /nfs/dbraw/zinc/23/84/12/573238412.db2.gz WYWQNPLKYCTXNX-RPSMYOMKSA-N 0 0 199.319 2.168 10 0 AEAERN CS/C=C/C(=O)N[C@H](C)CC1CC1 308316083 573238424 /nfs/dbraw/zinc/23/84/24/573238424.db2.gz WYWQNPLKYCTXNX-HQZHTGGTSA-N 0 0 199.319 2.168 10 0 AEAERN CC[C@@H](C)[NH2+][C@@H](C(=O)[O-])C1(C)CCC1 686135096 573238441 /nfs/dbraw/zinc/23/84/41/573238441.db2.gz DCBGCMBECNKPEJ-BDAKNGLRSA-N 0 0 199.294 2.018 10 0 AEAERN CC(C)[C@@H](O)C(=O)CC1(C)CCC1 308323607 573238452 /nfs/dbraw/zinc/23/84/52/573238452.db2.gz DFBIQXGCSDIALD-SNVBAGLBSA-N 0 0 184.279 2.153 10 0 AEAERN CCc1ccccc1[C@@H]1CCC(=O)N1 238314543 573238482 /nfs/dbraw/zinc/23/84/82/573238482.db2.gz CPZFDANIUPTHOL-NSHDSACASA-N 0 0 189.258 2.200 10 0 AEAERN CS/C=C/C(=O)N[C@@H](C)CC1CC1 308316082 573238489 /nfs/dbraw/zinc/23/84/89/573238489.db2.gz WYWQNPLKYCTXNX-GJIOHYHPSA-N 0 0 199.319 2.168 10 0 AEAERN CC[C@H](O)[C@H]1CC=CC[C@@H]1C 238314859 573238519 /nfs/dbraw/zinc/23/85/19/573238519.db2.gz KPZMPWKCDRXWHU-GUBZILKMSA-N 0 0 154.253 2.360 10 0 AEAERN CNc1cc2c(nn1)[C@H](C)C[C@H](C)C2 82858596 573238585 /nfs/dbraw/zinc/23/85/85/573238585.db2.gz UZXBBSLVKWIHAX-JGVFFNPUSA-N 0 0 191.278 2.204 10 0 AEAERN CC(=O)Cc1cccc2c1[C@H](C)CN2 258244756 573240357 /nfs/dbraw/zinc/24/03/57/573240357.db2.gz XLKGIHIATGJOIW-MRVPVSSYSA-N 0 0 189.258 2.347 10 0 AEAERN C[C@@H]1CC[C@@H](n2nccc2N)[C@H](C)C1 82859696 573240413 /nfs/dbraw/zinc/24/04/13/573240413.db2.gz FFZJZTXQDPKEPA-OPRDCNLKSA-N 0 0 193.294 2.463 10 0 AEAERN CNc1cc2c(nn1)[C@@H](C)C[C@@H](C)C2 82858599 573240418 /nfs/dbraw/zinc/24/04/18/573240418.db2.gz UZXBBSLVKWIHAX-SFYZADRCSA-N 0 0 191.278 2.204 10 0 AEAERN CC[C@H](O)[C@@H]1C=CC=CCC1 238314937 573239935 /nfs/dbraw/zinc/23/99/35/573239935.db2.gz VEFRUGCEHFTYEM-ZJUUUORDSA-N 0 0 152.237 2.280 10 0 AEAERN Cc1nccn1CCCC(F)F 688737270 573239944 /nfs/dbraw/zinc/23/99/44/573239944.db2.gz DVHKOSMVZMEJKC-UHFFFAOYSA-N 0 0 174.194 2.237 10 0 AEAERN COCn1ccnc1-c1cccs1 123899827 573241364 /nfs/dbraw/zinc/24/13/64/573241364.db2.gz NKPOCEKSTLUZMP-UHFFFAOYSA-N 0 0 194.259 2.216 10 0 AEAERN Cl/C=C/CNOC1CCCC1 236014842 573239953 /nfs/dbraw/zinc/23/99/53/573239953.db2.gz RPNBKDGTIMWLSZ-ZZXKWVIFSA-N 0 0 175.659 2.203 10 0 AEAERN C[C@H]1CCc2sc(=NN)[nH]c2[C@@H]1C 82858537 573239977 /nfs/dbraw/zinc/23/99/77/573239977.db2.gz QJFSHGIYUZUEAF-NTSWFWBYSA-N 0 0 197.307 2.115 10 0 AEAERN C[C@H]1C[C@@H](C)Cc2sc(=NN)[nH]c21 82858547 573240040 /nfs/dbraw/zinc/24/00/40/573240040.db2.gz OLIVAWDPZLJRJW-RITPCOANSA-N 0 0 197.307 2.115 10 0 AEAERN C[C@H]1CC[C@@H](C)c2nc(N)ncc21 82859561 573240074 /nfs/dbraw/zinc/24/00/74/573240074.db2.gz GNEGZFZPVALYCO-NKWVEPMBSA-N 0 0 177.251 2.060 10 0 AEAERN C[C@@H]1CC[C@@H](C)c2sc(=NN)[nH]c21 82858542 573240082 /nfs/dbraw/zinc/24/00/82/573240082.db2.gz KMWFSVYEEZGZBN-PHDIDXHHSA-N 0 0 197.307 2.430 10 0 AEAERN C[C@H]1CC[C@@H](C)C[C@H]1n1nccc1N 82859690 573240110 /nfs/dbraw/zinc/24/01/10/573240110.db2.gz GYEBFDBBXVGSRX-KXUCPTDWSA-N 0 0 193.294 2.463 10 0 AEAERN C[C@H]1Cc2sc(=NN)[nH]c2[C@H](C)C1 82858545 573240271 /nfs/dbraw/zinc/24/02/71/573240271.db2.gz OLIVAWDPZLJRJW-PHDIDXHHSA-N 0 0 197.307 2.115 10 0 AEAERN C[C@@H]1CCc2sc(N)nc2[C@@H]1C 82857136 573240282 /nfs/dbraw/zinc/24/02/82/573240282.db2.gz MLJYVGZXQGBDRW-PHDIDXHHSA-N 0 0 182.292 2.411 10 0 AEAERN CC[C@@H](C)[NH2+][C@H](C(=O)[O-])C1(C)CCC1 686135099 573240301 /nfs/dbraw/zinc/24/03/01/573240301.db2.gz DCBGCMBECNKPEJ-RKDXNWHRSA-N 0 0 199.294 2.018 10 0 AEAERN CCO[C@@H](C)[C@H](O)CC1(C)CCC1 308324309 573240304 /nfs/dbraw/zinc/24/03/04/573240304.db2.gz DOISBBFAMMRZMD-VHSXEESVSA-N 0 0 186.295 2.353 10 0 AEAERN C[C@H]1CC[C@H](C)c2nnc(N)cc21 82858589 573240313 /nfs/dbraw/zinc/24/03/13/573240313.db2.gz OGHPFILIVHSQHT-BQBZGAKWSA-N 0 0 177.251 2.060 10 0 AEAERN CC1CCC(n2cc(CO)cn2)CC1 82856450 573240318 /nfs/dbraw/zinc/24/03/18/573240318.db2.gz RROAMRYSORHKSV-UHFFFAOYSA-N 0 0 194.278 2.127 10 0 AEAERN CCC1CCC(n2cncn2)CC1 82856500 573240352 /nfs/dbraw/zinc/24/03/52/573240352.db2.gz NDSKFEDQJXIKOH-UHFFFAOYSA-N 0 0 179.267 2.419 10 0 AEAERN CCC1([C@H]2NC(=O)C23CCC3)CCC1 686132813 573241225 /nfs/dbraw/zinc/24/12/25/573241225.db2.gz LXQHGWTVTBVOTQ-SECBINFHSA-N 0 0 193.290 2.235 10 0 AEAERN COC(C)(C)C(=O)c1ccccc1F 86071815 573241228 /nfs/dbraw/zinc/24/12/28/573241228.db2.gz QQVQWXIZUXMSEV-UHFFFAOYSA-N 0 0 196.221 2.433 10 0 AEAERN CCO[C@H](C)[C@@H](O)CC1(C)CCC1 308324310 573241092 /nfs/dbraw/zinc/24/10/92/573241092.db2.gz DOISBBFAMMRZMD-ZJUUUORDSA-N 0 0 186.295 2.353 10 0 AEAERN COc1cccc(NCCCF)c1N 308521610 573241100 /nfs/dbraw/zinc/24/11/00/573241100.db2.gz HYHGZVYIZLNQFE-UHFFFAOYSA-N 0 0 198.241 2.049 10 0 AEAERN C[C@@H]1CC[C@@H](C)[C@H](n2nccc2N)C1 82859692 573241132 /nfs/dbraw/zinc/24/11/32/573241132.db2.gz GYEBFDBBXVGSRX-OPRDCNLKSA-N 0 0 193.294 2.463 10 0 AEAERN O[C@H](CC1CCCCC1)[C@H]1CCCO1 116131208 573241133 /nfs/dbraw/zinc/24/11/33/573241133.db2.gz WKVGZGYPJXYUNP-VXGBXAGGSA-N 0 0 198.306 2.497 10 0 AEAERN COC(C)(C)C(=O)c1ccsc1 86071579 573241136 /nfs/dbraw/zinc/24/11/36/573241136.db2.gz LBKZUPZUDSKNKG-UHFFFAOYSA-N 0 0 184.260 2.356 10 0 AEAERN CC(=O)Cc1cccc2c1[C@@H](C)CN2 258244758 573241168 /nfs/dbraw/zinc/24/11/68/573241168.db2.gz XLKGIHIATGJOIW-QMMMGPOBSA-N 0 0 189.258 2.347 10 0 AEAERN CC(=O)[C@@H](F)C[C@@H]1CCSC1 257977059 573241196 /nfs/dbraw/zinc/24/11/96/573241196.db2.gz ZGWVJDGDDMKYBD-YUMQZZPRSA-N 0 0 176.256 2.057 10 0 AEAERN CNc1ncc2c(n1)[C@@H](C)C[C@@H](C)C2 82859577 573241273 /nfs/dbraw/zinc/24/12/73/573241273.db2.gz FOXRREFNKBGWBJ-SFYZADRCSA-N 0 0 191.278 2.204 10 0 AEAERN OCCc1cccc2[nH]cc(Cl)c12 257977135 573241207 /nfs/dbraw/zinc/24/12/07/573241207.db2.gz DKFHLJDZIBNMOP-UHFFFAOYSA-N 0 0 195.649 2.356 10 0 AEAERN CCOc1ccc(C)cc1CCCO 257977110 573241370 /nfs/dbraw/zinc/24/13/70/573241370.db2.gz DJUADZPYOGMOQS-UHFFFAOYSA-N 0 0 194.274 2.319 10 0 AEAERN COC(C)(C)[C@@H](O)CCC(C)C 86071873 573241291 /nfs/dbraw/zinc/24/12/91/573241291.db2.gz PDFRIGTVTRIYCA-VIFPVBQESA-N 0 0 174.284 2.209 10 0 AEAERN CC(=O)CCNc1cccc(F)c1 258607184 573241309 /nfs/dbraw/zinc/24/13/09/573241309.db2.gz IAVJCBZKXMWRCD-UHFFFAOYSA-N 0 0 181.210 2.217 10 0 AEAERN CCC(=O)[C@@H](O)c1sccc1C 259045701 573241963 /nfs/dbraw/zinc/24/19/63/573241963.db2.gz FYQLCMQPMKDICI-MRVPVSSYSA-N 0 0 184.260 2.069 10 0 AEAERN CNc1ncc2c(n1)[C@H](C)[C@H](C)CC2 82859566 573241647 /nfs/dbraw/zinc/24/16/47/573241647.db2.gz OBOQTFGRDINWFS-HTQZYQBOSA-N 0 0 191.278 2.204 10 0 AEAERN Cc1ccc2c(c1)CC[C@H](O)C21CC1 259046083 573241651 /nfs/dbraw/zinc/24/16/51/573241651.db2.gz AORPJGNZIFLUDW-LBPRGKRZSA-N 0 0 188.270 2.334 10 0 AEAERN CCC(=O)CC[C@H]1CCC[C@@H](O)C1 308320585 573241687 /nfs/dbraw/zinc/24/16/87/573241687.db2.gz AUYSLTARVMFBCI-MWLCHTKSSA-N 0 0 184.279 2.297 10 0 AEAERN CNc1n[nH]c2c1CC[C@@H](C)[C@H]2C 82859108 573241885 /nfs/dbraw/zinc/24/18/85/573241885.db2.gz WYGGXZBHRVYAIZ-RNFRBKRXSA-N 0 0 179.267 2.137 10 0 AEAERN C[C@@H]1Cc2sc(=NN)[nH]c2[C@H](C)C1 82858544 573241710 /nfs/dbraw/zinc/24/17/10/573241710.db2.gz OLIVAWDPZLJRJW-NTSWFWBYSA-N 0 0 197.307 2.115 10 0 AEAERN COC(C)(C)[C@H](O)C1CCCCC1 86071997 573241719 /nfs/dbraw/zinc/24/17/19/573241719.db2.gz KOCIWWPFAVQCOZ-SNVBAGLBSA-N 0 0 186.295 2.353 10 0 AEAERN C[C@H]1CC[C@H](C)c2sc(=NN)[nH]c21 82858541 573241736 /nfs/dbraw/zinc/24/17/36/573241736.db2.gz KMWFSVYEEZGZBN-WDSKDSINSA-N 0 0 197.307 2.430 10 0 AEAERN C[C@@H]1CCC[C@@H](n2nccc2N)[C@@H]1C 82859700 573241758 /nfs/dbraw/zinc/24/17/58/573241758.db2.gz DUADZJISZLLLJB-OPRDCNLKSA-N 0 0 193.294 2.463 10 0 AEAERN CCC(=O)CC[C@H]1CCC[C@H](O)C1 308320584 573241765 /nfs/dbraw/zinc/24/17/65/573241765.db2.gz AUYSLTARVMFBCI-KOLCDFICSA-N 0 0 184.279 2.297 10 0 AEAERN C[C@H]1CC[C@@H](C)c2[nH]c(=NN)sc21 82858540 573241766 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/nfs/dbraw/zinc/25/22/91/573252291.db2.gz POFUGSKLZLXGTB-JTQLQIEISA-N 0 0 163.220 2.365 10 0 AEAERN CC(=O)Cc1c(F)cccc1N(C)C 257979210 573252313 /nfs/dbraw/zinc/25/23/13/573252313.db2.gz DNWGILHCSPBFFD-UHFFFAOYSA-N 0 0 195.237 2.023 10 0 AEAERN Cc1ccccc1-c1ccnc(C=O)n1 259054966 573252314 /nfs/dbraw/zinc/25/23/14/573252314.db2.gz JNYJVCSJDGUNHG-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN Cc1coc([C@@]2(O)CSC[C@H]2C)c1 715742588 573252331 /nfs/dbraw/zinc/25/23/31/573252331.db2.gz FBAUSOKVYKFCIQ-PSASIEDQSA-N 0 0 198.287 2.159 10 0 AEAERN CCC[C@H](C)C(=O)N[C@H]1C[C@H]1CC 393578706 573252471 /nfs/dbraw/zinc/25/24/71/573252471.db2.gz AUOWCDAVPCGOKJ-AEJSXWLSSA-N 0 0 183.295 2.337 10 0 AEAERN Cc1ccccc1[C@@H](F)CCO 258611240 573252474 /nfs/dbraw/zinc/25/24/74/573252474.db2.gz VVYHLOQRCOGBIT-JTQLQIEISA-N 0 0 168.211 2.388 10 0 AEAERN CC(C)C[C@H](CC1(C)CCC1)NN 308328063 573252558 /nfs/dbraw/zinc/25/25/58/573252558.db2.gz IEEIPWZPYPKWMD-SNVBAGLBSA-N 0 0 184.327 2.445 10 0 AEAERN Oc1ccc(NC2CCC2)cc1F 82878663 573252612 /nfs/dbraw/zinc/25/26/12/573252612.db2.gz GTASRECEZXQOHA-UHFFFAOYSA-N 0 0 181.210 2.496 10 0 AEAERN Cc1c(O)ccc([C@H](C)CO)c1C 257979076 573252696 /nfs/dbraw/zinc/25/26/96/573252696.db2.gz JLXGPBXLUZNGAO-SSDOTTSWSA-N 0 0 180.247 2.105 10 0 AEAERN C=CC(=O)Nc1ccc(O)c(Cl)c1 82879693 573252733 /nfs/dbraw/zinc/25/27/33/573252733.db2.gz KTGPXGZZYFDHAC-UHFFFAOYSA-N 0 0 197.621 2.170 10 0 AEAERN CCc1cc2cnoc2cc1OC 238318781 573252852 /nfs/dbraw/zinc/25/28/52/573252852.db2.gz RJSRWDOJKGLKMG-UHFFFAOYSA-N 0 0 177.203 2.399 10 0 AEAERN CC(C)CN(C)C(=O)/C=C/C1CC1 308328559 573252894 /nfs/dbraw/zinc/25/28/94/573252894.db2.gz IVAPYMQJTCNUJJ-VOTSOKGWSA-N 0 0 181.279 2.067 10 0 AEAERN CN(C)c1coc2ccccc12 230473049 573253697 /nfs/dbraw/zinc/25/36/97/573253697.db2.gz HZTAVHIZTPPQMV-UHFFFAOYSA-N 0 0 161.204 2.499 10 0 AEAERN Cc1coc([C@]2(O)CSC[C@H]2C)c1 715742590 573252970 /nfs/dbraw/zinc/25/29/70/573252970.db2.gz FBAUSOKVYKFCIQ-SCZZXKLOSA-N 0 0 198.287 2.159 10 0 AEAERN 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CC(C)[C@H](C)[C@]1(O)C[C@@H]1C 86198178 573301675 /nfs/dbraw/zinc/30/16/75/573301675.db2.gz JJPMUTMIQCFKBE-CIUDSAMLSA-N 0 0 142.242 2.049 10 0 AEAERN Clc1cnnc(C2CCOCC2)c1 259410700 573301676 /nfs/dbraw/zinc/30/16/76/573301676.db2.gz IZTDUTADTYGHOM-UHFFFAOYSA-N 0 0 198.653 2.024 10 0 AEAERN CCC(C)(C)[C@@]1(O)C[C@@H]1C 86197587 573301680 /nfs/dbraw/zinc/30/16/80/573301680.db2.gz UDKRUMNAHHQQAO-IONNQARKSA-N 0 0 142.242 2.194 10 0 AEAERN C[C@@H]1C[C@@]1(O)Cc1ccccc1 86197342 573301685 /nfs/dbraw/zinc/30/16/85/573301685.db2.gz AGDRYFOKNOXVEY-MWLCHTKSSA-N 0 0 162.232 2.000 10 0 AEAERN CCC(C)(C)[C@]1(O)C[C@H]1C 86197589 573301696 /nfs/dbraw/zinc/30/16/96/573301696.db2.gz UDKRUMNAHHQQAO-APPZFPTMSA-N 0 0 142.242 2.194 10 0 AEAERN Cc1ccc([C@@]2(O)C[C@H]2C)s1 86197674 573301701 /nfs/dbraw/zinc/30/17/01/573301701.db2.gz KEVDXEUNDLQWQW-HZGVNTEJSA-N 0 0 168.261 2.284 10 0 AEAERN CNc1c(C(C)(C)C)n[nH]c1C 259410744 573301747 /nfs/dbraw/zinc/30/17/47/573301747.db2.gz ZFHNQLAAZBPBSB-UHFFFAOYSA-N 0 0 167.256 2.057 10 0 AEAERN C[C@H]1C[C@]1(O)c1ccc(F)cc1F 86197693 573301755 /nfs/dbraw/zinc/30/17/55/573301755.db2.gz KQXRPFHKMJHOSU-QUBYGPBYSA-N 0 0 184.185 2.192 10 0 AEAERN C[C@@H](O)c1ccc2c(c1)NC[C@@H]2C 258286397 573301765 /nfs/dbraw/zinc/30/17/65/573301765.db2.gz ZWRAVAUNCBCGNP-JGVFFNPUSA-N 0 0 177.247 2.269 10 0 AEAERN C[C@@H]1C[C@@]1(O)CC1CCCC1 86197710 573301832 /nfs/dbraw/zinc/30/18/32/573301832.db2.gz JFTMABPRRXPUKG-PSASIEDQSA-N 0 0 154.253 2.338 10 0 AEAERN Cc1cc([C@@]2(O)C[C@H]2C)ccc1F 86197770 573301851 /nfs/dbraw/zinc/30/18/51/573301851.db2.gz OEPHNHPNSMPEKE-LDYMZIIASA-N 0 0 180.222 2.362 10 0 AEAERN C[C@H]1C[C@@]1(O)Cc1ccccc1F 86198050 573301856 /nfs/dbraw/zinc/30/18/56/573301856.db2.gz XIOPFLALLFJVMN-GZMMTYOYSA-N 0 0 180.222 2.139 10 0 AEAERN Cc1ccccc1[C@]1(CO)C[C@@H]1C 259075313 573301897 /nfs/dbraw/zinc/30/18/97/573301897.db2.gz YOWOMEUEIPJNQT-JQWIXIFHSA-N 0 0 176.259 2.265 10 0 AEAERN COc1cccc(C[C@]2(O)C[C@H]2C)c1 86197758 573301902 /nfs/dbraw/zinc/30/19/02/573301902.db2.gz OLCSNJQUIYMIRA-BXKDBHETSA-N 0 0 192.258 2.009 10 0 AEAERN C[C@@H]1C[C@@]1(O)c1cc(F)ccc1F 86197978 573301907 /nfs/dbraw/zinc/30/19/07/573301907.db2.gz XSEDZUWJGGPAIG-LDWIPMOCSA-N 0 0 184.185 2.192 10 0 AEAERN CCC(C)(C)[C@]1(O)C[C@@H]1C 86197585 573301913 /nfs/dbraw/zinc/30/19/13/573301913.db2.gz UDKRUMNAHHQQAO-CBAPKCEASA-N 0 0 142.242 2.194 10 0 AEAERN CC(C)CC(=O)[C@H]1CCCOCC1 74282850 573301918 /nfs/dbraw/zinc/30/19/18/573301918.db2.gz FJSWCBZSGVOJQD-JTQLQIEISA-N 0 0 184.279 2.418 10 0 AEAERN C[C@H]1C[C@]1(O)CC(C)(C)C 86197415 573301919 /nfs/dbraw/zinc/30/19/19/573301919.db2.gz LFHJVOJEEXUVIA-CBAPKCEASA-N 0 0 142.242 2.194 10 0 AEAERN CC(C)[C@H](C)[C@]1(O)C[C@H]1C 86198176 573301940 /nfs/dbraw/zinc/30/19/40/573301940.db2.gz JJPMUTMIQCFKBE-VGMNWLOBSA-N 0 0 142.242 2.049 10 0 AEAERN C[C@@H]1C[C@@]1(O)CCc1ccccc1 86197727 573301972 /nfs/dbraw/zinc/30/19/72/573301972.db2.gz BVLIAKHLEAMOSF-PWSUYJOCSA-N 0 0 176.259 2.390 10 0 AEAERN C[C@H](CCO)C1SCCCS1 197295024 573301984 /nfs/dbraw/zinc/30/19/84/573301984.db2.gz ZLFMJMFSWUHCLE-SSDOTTSWSA-N 0 0 192.349 2.201 10 0 AEAERN CCC(=O)[C@@H](C)c1ccco1 223014300 573302002 /nfs/dbraw/zinc/30/20/02/573302002.db2.gz ZWLJDFVPFSOTKW-SSDOTTSWSA-N 0 0 152.193 2.362 10 0 AEAERN Cc1ccc(OCC2COC2)c(C)c1 259072725 573302009 /nfs/dbraw/zinc/30/20/09/573302009.db2.gz OLJNVWFXGWEHRN-UHFFFAOYSA-N 0 0 192.258 2.329 10 0 AEAERN C[C@@H]1C[C@@]1(O)Cc1ccccc1F 86198047 573302030 /nfs/dbraw/zinc/30/20/30/573302030.db2.gz XIOPFLALLFJVMN-LDYMZIIASA-N 0 0 180.222 2.139 10 0 AEAERN CO[C@@H](C)CNc1ccc(C)c(N)c1 223651562 573302058 /nfs/dbraw/zinc/30/20/58/573302058.db2.gz DOGSJOIXEFUWRF-VIFPVBQESA-N 0 0 194.278 2.024 10 0 AEAERN C[C@@H]1C[C@@]1(O)c1cc(F)cc(F)c1 86198294 573302036 /nfs/dbraw/zinc/30/20/36/573302036.db2.gz GYLWSBDKVUHKNC-LDWIPMOCSA-N 0 0 184.185 2.192 10 0 AEAERN Cc1cccc(C[C@]2(O)C[C@H]2C)c1 86198535 573304583 /nfs/dbraw/zinc/30/45/83/573304583.db2.gz LTNSHNWURFEPPI-ZYHUDNBSSA-N 0 0 176.259 2.308 10 0 AEAERN Cc1[nH+]c2c(n1C(C)(C)C)NCCC2 106488916 573303642 /nfs/dbraw/zinc/30/36/42/573303642.db2.gz VZHIJIRLSIUIBN-UHFFFAOYSA-N 0 0 193.294 2.305 10 0 AEAERN CC[C@@H]1C[C@]1(O)C1CCCC1 86199744 573303644 /nfs/dbraw/zinc/30/36/44/573303644.db2.gz JFSBUQDBWWDSOK-PSASIEDQSA-N 0 0 154.253 2.338 10 0 AEAERN CC(=O)[C@H](C)Oc1cc(C)ccc1F 82939848 573306346 /nfs/dbraw/zinc/30/63/46/573306346.db2.gz SERTYRPADAIABU-VIFPVBQESA-N 0 0 196.221 2.490 10 0 AEAERN COc1ccc(Cl)c2oncc12 238339057 573303664 /nfs/dbraw/zinc/30/36/64/573303664.db2.gz WWKRZCASIHLADD-UHFFFAOYSA-N 0 0 183.594 2.490 10 0 AEAERN CC[C@H]1C[C@@]1(O)C1CCCC1 86199750 573303706 /nfs/dbraw/zinc/30/37/06/573303706.db2.gz JFSBUQDBWWDSOK-WPRPVWTQSA-N 0 0 154.253 2.338 10 0 AEAERN CC[C@@H]1C[C@@]1(O)c1ccc(OC)cc1 86199820 573303713 /nfs/dbraw/zinc/30/37/13/573303713.db2.gz ANRJAZBZBNITSJ-SKDRFNHKSA-N 0 0 192.258 2.313 10 0 AEAERN CC[C@@H]1C[C@]1(O)c1ccoc1C 86199898 573303732 /nfs/dbraw/zinc/30/37/32/573303732.db2.gz LVQPHSQQNNVRJG-PSASIEDQSA-N 0 0 166.220 2.206 10 0 AEAERN C=Cc1ccnc(C)c1F 209767272 573303745 /nfs/dbraw/zinc/30/37/45/573303745.db2.gz MJSCYTVIDGWPNA-UHFFFAOYSA-N 0 0 137.157 2.172 10 0 AEAERN CC[C@@H]1C[C@@]1(O)c1cccc(F)c1 86199755 573303788 /nfs/dbraw/zinc/30/37/88/573303788.db2.gz SHXZGNSJKVEGCT-KCJUWKMLSA-N 0 0 180.222 2.443 10 0 AEAERN Cc1cccc(N(C)C)c1[C@@H](C)CO 259410971 573303815 /nfs/dbraw/zinc/30/38/15/573303815.db2.gz JPXCAIILBWOJQB-JTQLQIEISA-N 0 0 193.290 2.157 10 0 AEAERN COCNc1ccc(F)c(C)c1 259076651 573303829 /nfs/dbraw/zinc/30/38/29/573303829.db2.gz MDMTYJFHGQKBAG-UHFFFAOYSA-N 0 0 169.199 2.150 10 0 AEAERN CC[C@H]1C[C@]1(O)c1ccoc1C 86199900 573303832 /nfs/dbraw/zinc/30/38/32/573303832.db2.gz LVQPHSQQNNVRJG-WCBMZHEXSA-N 0 0 166.220 2.206 10 0 AEAERN CNc1cccc(O)c1C(F)(F)F 238339170 573303894 /nfs/dbraw/zinc/30/38/94/573303894.db2.gz VOOAFDRLLNENED-UHFFFAOYSA-N 0 0 191.152 2.453 10 0 AEAERN Cc1coc([C@H](O)c2ccns2)c1 715765136 573303945 /nfs/dbraw/zinc/30/39/45/573303945.db2.gz ZMYOMYSDVPMPAL-VIFPVBQESA-N 0 0 195.243 2.126 10 0 AEAERN CC[C@@H]1C[C@]1(O)[C@@H]1Cc2ccccc21 86199705 573303990 /nfs/dbraw/zinc/30/39/90/573303990.db2.gz HAOWYAJRHSHNBM-RAIGVLPGSA-N 0 0 188.270 2.487 10 0 AEAERN C=C=C(C)[C@H](O)c1ccc(OC)cc1 238338646 573304058 /nfs/dbraw/zinc/30/40/58/573304058.db2.gz GKPVEVZHVYCLHE-LBPRGKRZSA-N 0 0 190.242 2.460 10 0 AEAERN CCCC1([C@H](O)C2CCOCC2)CC1 308548510 573304059 /nfs/dbraw/zinc/30/40/59/573304059.db2.gz QOSHMYXZSVEXLQ-LLVKDONJSA-N 0 0 198.306 2.354 10 0 AEAERN CC[C@@H]1C[C@@]1(O)[C@@H]1Cc2ccccc21 86199709 573304089 /nfs/dbraw/zinc/30/40/89/573304089.db2.gz HAOWYAJRHSHNBM-RTXFEEFZSA-N 0 0 188.270 2.487 10 0 AEAERN C[C@@]1(CO)Cc2ccc(Cl)cc2N1 258285226 573304106 /nfs/dbraw/zinc/30/41/06/573304106.db2.gz UBPQEAIZVWQHOU-JTQLQIEISA-N 0 0 197.665 2.059 10 0 AEAERN CC[C@@H]1C[C@]1(O)c1cccc(C)n1 86199874 573304201 /nfs/dbraw/zinc/30/42/01/573304201.db2.gz IBLUNJORZXBNAC-MWLCHTKSSA-N 0 0 177.247 2.008 10 0 AEAERN CC[C@@H]1C[C@]1(O)Cc1ccsc1 86199474 573304212 /nfs/dbraw/zinc/30/42/12/573304212.db2.gz SLJPULIOLGVPRU-NXEZZACHSA-N 0 0 182.288 2.452 10 0 AEAERN CC[C@H]1C[C@]1(O)C1CCCC1 86199746 573304259 /nfs/dbraw/zinc/30/42/59/573304259.db2.gz JFSBUQDBWWDSOK-WCBMZHEXSA-N 0 0 154.253 2.338 10 0 AEAERN CC[C@@H]1C[C@@]1(O)Cc1cccs1 86200245 573304276 /nfs/dbraw/zinc/30/42/76/573304276.db2.gz BDZQWLUJBCQYJU-PSASIEDQSA-N 0 0 182.288 2.452 10 0 AEAERN CC[C@@H]1C[C@]1(O)Cc1cccs1 86200242 573304331 /nfs/dbraw/zinc/30/43/31/573304331.db2.gz BDZQWLUJBCQYJU-SCZZXKLOSA-N 0 0 182.288 2.452 10 0 AEAERN C[C@H](O)[C@@H](C)C[C@H](O)c1ccccc1 238455827 573304334 /nfs/dbraw/zinc/30/43/34/573304334.db2.gz GQCHSLCNWVNREZ-NHCYSSNCSA-N 0 0 194.274 2.127 10 0 AEAERN CC[C@H]1C[C@]1(O)c1cccc(F)c1 86199754 573304358 /nfs/dbraw/zinc/30/43/58/573304358.db2.gz SHXZGNSJKVEGCT-GZMMTYOYSA-N 0 0 180.222 2.443 10 0 AEAERN CC[C@@H]1C[C@@]1(O)c1cccc(C)n1 86199878 573304396 /nfs/dbraw/zinc/30/43/96/573304396.db2.gz IBLUNJORZXBNAC-KOLCDFICSA-N 0 0 177.247 2.008 10 0 AEAERN CC[C@H]1C[C@@]1(O)Cc1cccs1 86200246 573304408 /nfs/dbraw/zinc/30/44/08/573304408.db2.gz BDZQWLUJBCQYJU-WCBMZHEXSA-N 0 0 182.288 2.452 10 0 AEAERN Cc1ccc(F)c2c1C(=O)[C@H](C)O2 82939354 573304421 /nfs/dbraw/zinc/30/44/21/573304421.db2.gz PMCGKLOGUGWQLK-LURJTMIESA-N 0 0 180.178 2.098 10 0 AEAERN CC[C@H]1C[C@]1(O)c1cccc(C)n1 86199875 573304453 /nfs/dbraw/zinc/30/44/53/573304453.db2.gz IBLUNJORZXBNAC-GXSJLCMTSA-N 0 0 177.247 2.008 10 0 AEAERN C=Cc1c(F)ccnc1C 209767637 573304467 /nfs/dbraw/zinc/30/44/67/573304467.db2.gz HHZDBUUNCWCYKE-UHFFFAOYSA-N 0 0 137.157 2.172 10 0 AEAERN CC[C@H]1C[C@@]1(O)c1ccoc1C 86199903 573304517 /nfs/dbraw/zinc/30/45/17/573304517.db2.gz LVQPHSQQNNVRJG-WPRPVWTQSA-N 0 0 166.220 2.206 10 0 AEAERN COc1cccc(/C=C(\C)CO)c1 211962259 573304535 /nfs/dbraw/zinc/30/45/35/573304535.db2.gz HUYISYUHDSXTHO-RMKNXTFCSA-N 0 0 178.231 2.091 10 0 AEAERN CC[C@@H]1C[C@@]1(O)Cc1ccsc1 86199479 573304551 /nfs/dbraw/zinc/30/45/51/573304551.db2.gz SLJPULIOLGVPRU-ZJUUUORDSA-N 0 0 182.288 2.452 10 0 AEAERN COc1cccc(F)c1[C@@]1(O)C[C@@H]1C 86198525 573304563 /nfs/dbraw/zinc/30/45/63/573304563.db2.gz PZXCEEAGXFZRKW-WRWORJQWSA-N 0 0 196.221 2.062 10 0 AEAERN CC[C@@H]1C[C@]1(O)CC(C)C 86199760 573304595 /nfs/dbraw/zinc/30/45/95/573304595.db2.gz KRLVDTRVOUHDKO-RKDXNWHRSA-N 0 0 142.242 2.194 10 0 AEAERN CC[C@@H]1C[C@@]1(O)C1CCCC1 86199749 573304647 /nfs/dbraw/zinc/30/46/47/573304647.db2.gz JFSBUQDBWWDSOK-SCZZXKLOSA-N 0 0 154.253 2.338 10 0 AEAERN Cc1cccc(C[C@@]2(O)C[C@@H]2C)c1 86198534 573304653 /nfs/dbraw/zinc/30/46/53/573304653.db2.gz LTNSHNWURFEPPI-JQWIXIFHSA-N 0 0 176.259 2.308 10 0 AEAERN CC[C@H]1C[C@]1(O)c1scnc1C 86200123 573304664 /nfs/dbraw/zinc/30/46/64/573304664.db2.gz WQZMDVGKXPXEHY-IONNQARKSA-N 0 0 183.276 2.069 10 0 AEAERN C[C@@H]1C[C@]1(O)CC[C@@H]1CCCCO1 86198580 573304705 /nfs/dbraw/zinc/30/47/05/573304705.db2.gz IMDYKKJWNYBJCR-OUAUKWLOSA-N 0 0 184.279 2.107 10 0 AEAERN COc1ccc(C[C@]2(O)C[C@H]2C)cc1 86198547 573304737 /nfs/dbraw/zinc/30/47/37/573304737.db2.gz RDMZEKAIZMZYDI-BXKDBHETSA-N 0 0 192.258 2.009 10 0 AEAERN CC1(c2ccc(F)cc2F)COC1 259076894 573304801 /nfs/dbraw/zinc/30/48/01/573304801.db2.gz LHRLMKXCJKOBNL-UHFFFAOYSA-N 0 0 184.185 2.253 10 0 AEAERN COc1cccc(F)c1[C@]1(O)C[C@@H]1C 86198530 573304836 /nfs/dbraw/zinc/30/48/36/573304836.db2.gz PZXCEEAGXFZRKW-CPCISQLKSA-N 0 0 196.221 2.062 10 0 AEAERN CCc1cccc2c1C(=O)CCN2 224868190 573304838 /nfs/dbraw/zinc/30/48/38/573304838.db2.gz RZGYXIIUPSGUTM-UHFFFAOYSA-N 0 0 175.231 2.247 10 0 AEAERN Fc1nc2c(c3ccccc13)OCC2 116784033 573304846 /nfs/dbraw/zinc/30/48/46/573304846.db2.gz LNTIXKNDUPYJBH-UHFFFAOYSA-N 0 0 189.189 2.309 10 0 AEAERN CC[C@@H]1C[C@@]1(O)c1ccc(C)nc1C 86200047 573304850 /nfs/dbraw/zinc/30/48/50/573304850.db2.gz OVBDOOWLZQNKMD-PWSUYJOCSA-N 0 0 191.274 2.316 10 0 AEAERN CC1(C)C[C@]1(CO)c1ccccc1F 259077896 573305725 /nfs/dbraw/zinc/30/57/25/573305725.db2.gz YXJHPKBLDLEXAU-LBPRGKRZSA-N 0 0 194.249 2.486 10 0 AEAERN COc1cccc(F)c1[C@@]1(O)C[C@H]1C 86198524 573304876 /nfs/dbraw/zinc/30/48/76/573304876.db2.gz PZXCEEAGXFZRKW-RDDDGLTNSA-N 0 0 196.221 2.062 10 0 AEAERN CC[C@@H]1C[C@@]1(O)Cc1ccccc1 86200190 573304887 /nfs/dbraw/zinc/30/48/87/573304887.db2.gz KBMWJABDGMSBMH-NEPJUHHUSA-N 0 0 176.259 2.390 10 0 AEAERN Cc1ccc(F)c2c1C(=O)CCCO2 82939353 573304898 /nfs/dbraw/zinc/30/48/98/573304898.db2.gz GLHXQSUZOBDTQK-UHFFFAOYSA-N 0 0 194.205 2.489 10 0 AEAERN CC[C@@H]1C[C@@]1(O)c1ccoc1C 86199902 573304907 /nfs/dbraw/zinc/30/49/07/573304907.db2.gz LVQPHSQQNNVRJG-SCZZXKLOSA-N 0 0 166.220 2.206 10 0 AEAERN CN[C@H]1SCCc2ccccc21 238340584 573304932 /nfs/dbraw/zinc/30/49/32/573304932.db2.gz RWKOQMBRDPRLHX-JTQLQIEISA-N 0 0 179.288 2.194 10 0 AEAERN CC[C@H](C)C[C@@H](O)c1cn(CC)cn1 308543819 573304975 /nfs/dbraw/zinc/30/49/75/573304975.db2.gz NINHPZARRFQKNW-GXSJLCMTSA-N 0 0 196.294 2.373 10 0 AEAERN N[C@@H](CC1CCCC1)C(F)(F)F 74302529 573304985 /nfs/dbraw/zinc/30/49/85/573304985.db2.gz XDCHSBWMOIBCOJ-ZETCQYMHSA-N 0 0 181.201 2.456 10 0 AEAERN CC[C@H]1C[C@]1(O)Cc1ccccc1 86200188 573304986 /nfs/dbraw/zinc/30/49/86/573304986.db2.gz KBMWJABDGMSBMH-NWDGAFQWSA-N 0 0 176.259 2.390 10 0 AEAERN CCCC[C@]1(O)C[C@H]1CC 86199740 573305733 /nfs/dbraw/zinc/30/57/33/573305733.db2.gz HFOROLBDDBFLIY-BDAKNGLRSA-N 0 0 142.242 2.338 10 0 AEAERN CC1(C)C[C@@]1(CO)c1ccccc1F 259077894 573305016 /nfs/dbraw/zinc/30/50/16/573305016.db2.gz YXJHPKBLDLEXAU-GFCCVEGCSA-N 0 0 194.249 2.486 10 0 AEAERN CC[C@@H]1C[C@]1(O)c1ccc(OC)cc1 86199816 573305053 /nfs/dbraw/zinc/30/50/53/573305053.db2.gz ANRJAZBZBNITSJ-BXKDBHETSA-N 0 0 192.258 2.313 10 0 AEAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC=O 116796588 573305070 /nfs/dbraw/zinc/30/50/70/573305070.db2.gz RLPOXBHXSSVURP-VWYCJHECSA-N 0 0 183.295 2.193 10 0 AEAERN c1[nH+]c2c(n1C1CCCC1)NCCC2 106492730 573305073 /nfs/dbraw/zinc/30/50/73/573305073.db2.gz QCBKNKBFCUEDTN-UHFFFAOYSA-N 0 0 191.278 2.356 10 0 AEAERN CCc1ccc([C@]2(O)C[C@H]2CC)o1 86199670 573305080 /nfs/dbraw/zinc/30/50/80/573305080.db2.gz ZERYSSVLSGIOBC-KCJUWKMLSA-N 0 0 180.247 2.460 10 0 AEAERN CCc1ccc([C@@]2(O)C[C@H]2CC)o1 86199671 573305087 /nfs/dbraw/zinc/30/50/87/573305087.db2.gz ZERYSSVLSGIOBC-LDYMZIIASA-N 0 0 180.247 2.460 10 0 AEAERN CC[C@H]1C[C@]1(O)C(C)(C)C 86199988 573305091 /nfs/dbraw/zinc/30/50/91/573305091.db2.gz SKQLDFQDJAOXLT-IONNQARKSA-N 0 0 142.242 2.194 10 0 AEAERN CC(=O)c1ccc(C)cc1N(C)C 259408419 573305113 /nfs/dbraw/zinc/30/51/13/573305113.db2.gz JOSIFIOZPKBJBX-UHFFFAOYSA-N 0 0 177.247 2.264 10 0 AEAERN Cc1coc(N)c1-c1nccs1 106519470 573305135 /nfs/dbraw/zinc/30/51/35/573305135.db2.gz SXFYLTNYVNOOHG-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN CC[C@H]1C[C@@]1(O)c1ccc(C)nc1C 86200048 573305152 /nfs/dbraw/zinc/30/51/52/573305152.db2.gz OVBDOOWLZQNKMD-JQWIXIFHSA-N 0 0 191.274 2.316 10 0 AEAERN CCCC[C@@](C)(CCC)C(N)=O 238795891 573305171 /nfs/dbraw/zinc/30/51/71/573305171.db2.gz SCPUYHRYSNMRCB-SNVBAGLBSA-N 0 0 171.284 2.468 10 0 AEAERN CCc1ccc([C@@]2(O)C[C@@H]2CC)o1 86199667 573305188 /nfs/dbraw/zinc/30/51/88/573305188.db2.gz ZERYSSVLSGIOBC-GZMMTYOYSA-N 0 0 180.247 2.460 10 0 AEAERN COc1ccc(C[C@@]2(O)C[C@@H]2C)cc1 86198545 573305208 /nfs/dbraw/zinc/30/52/08/573305208.db2.gz RDMZEKAIZMZYDI-CABZTGNLSA-N 0 0 192.258 2.009 10 0 AEAERN FCCOc1cccc2c1NCC2 258000524 573305219 /nfs/dbraw/zinc/30/52/19/573305219.db2.gz MDIPKRUWFJYUSV-UHFFFAOYSA-N 0 0 181.210 2.003 10 0 AEAERN CCC1(CC(=O)CCCO)CCC1 308343411 573305225 /nfs/dbraw/zinc/30/52/25/573305225.db2.gz SKUSVXFDVSLJAE-UHFFFAOYSA-N 0 0 184.279 2.298 10 0 AEAERN c1cncc(OCOC2CCCC2)c1 308543174 573305233 /nfs/dbraw/zinc/30/52/33/573305233.db2.gz OPXCTTVHLCVJSV-UHFFFAOYSA-N 0 0 193.246 2.377 10 0 AEAERN CC(C)=CCn1ccn(C(C)C)c1=O 124035570 573305237 /nfs/dbraw/zinc/30/52/37/573305237.db2.gz IAADETFHQFPHCU-UHFFFAOYSA-N 0 0 194.278 2.197 10 0 AEAERN CC[C@@H]1C[C@]1(O)Cc1ccccc1 86200187 573305241 /nfs/dbraw/zinc/30/52/41/573305241.db2.gz KBMWJABDGMSBMH-VXGBXAGGSA-N 0 0 176.259 2.390 10 0 AEAERN CC[C@H]1C[C@]1(O)Cc1ccsc1 86199476 573305270 /nfs/dbraw/zinc/30/52/70/573305270.db2.gz SLJPULIOLGVPRU-VHSXEESVSA-N 0 0 182.288 2.452 10 0 AEAERN CC[C@@H]1C[C@@]1(O)CC(C)C 86199765 573305281 /nfs/dbraw/zinc/30/52/81/573305281.db2.gz KRLVDTRVOUHDKO-BDAKNGLRSA-N 0 0 142.242 2.194 10 0 AEAERN COc1cccc(C(C)(C)CO)c1F 258000506 573305384 /nfs/dbraw/zinc/30/53/84/573305384.db2.gz BYJZCQNVTIQAIF-UHFFFAOYSA-N 0 0 198.237 2.104 10 0 AEAERN CC[C@H]1C[C@]1(O)c1ccc(OC)cc1 86199818 573305388 /nfs/dbraw/zinc/30/53/88/573305388.db2.gz ANRJAZBZBNITSJ-JOYOIKCWSA-N 0 0 192.258 2.313 10 0 AEAERN CC(C)c1csc2c(N)ncn12 74301611 573305390 /nfs/dbraw/zinc/30/53/90/573305390.db2.gz LDLOZQGDLRTKEB-UHFFFAOYSA-N 0 0 181.264 2.101 10 0 AEAERN CC[C@H]1C[C@@]1(O)CC(C)C 86199767 573305448 /nfs/dbraw/zinc/30/54/48/573305448.db2.gz KRLVDTRVOUHDKO-IUCAKERBSA-N 0 0 142.242 2.194 10 0 AEAERN CC[C@@H]1C[C@]1(O)c1ccc(C)nc1C 86200043 573305460 /nfs/dbraw/zinc/30/54/60/573305460.db2.gz OVBDOOWLZQNKMD-ZYHUDNBSSA-N 0 0 191.274 2.316 10 0 AEAERN CC[C@H]1C[C@@]1(O)c1ccc(C)nc1 86201361 573307999 /nfs/dbraw/zinc/30/79/99/573307999.db2.gz WJJAKISMNOTXKK-ONGXEEELSA-N 0 0 177.247 2.008 10 0 AEAERN CC[C@@H]1C[C@@]1(O)c1ccsc1 86199628 573305478 /nfs/dbraw/zinc/30/54/78/573305478.db2.gz CSDTVDFHKTVPGL-APPZFPTMSA-N 0 0 168.261 2.366 10 0 AEAERN Cc1coc(N)c1-c1ccccn1 106519502 573305523 /nfs/dbraw/zinc/30/55/23/573305523.db2.gz WDUSIBHEOIPUMZ-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN CC[C@@H](OC)[C@@H](O)c1cccc(C)c1 132430331 573305524 /nfs/dbraw/zinc/30/55/24/573305524.db2.gz NPOJNPGUHFMWSO-NEPJUHHUSA-N 0 0 194.274 2.453 10 0 AEAERN COc1ccc(C[C@]2(O)C[C@@H]2C)cc1 86198549 573305544 /nfs/dbraw/zinc/30/55/44/573305544.db2.gz RDMZEKAIZMZYDI-JOYOIKCWSA-N 0 0 192.258 2.009 10 0 AEAERN CNc1cc(OC)c(C)c(C)c1OC 259075452 573305623 /nfs/dbraw/zinc/30/56/23/573305623.db2.gz CDKBYGJEMXOELO-UHFFFAOYSA-N 0 0 195.262 2.362 10 0 AEAERN CCN1c2cccc(O)c2NC[C@H]1C 259410089 573305764 /nfs/dbraw/zinc/30/57/64/573305764.db2.gz 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117016816 573315616 /nfs/dbraw/zinc/31/56/16/573315616.db2.gz ZVSMIBFDIZUYIH-VXGBXAGGSA-N 0 0 176.259 2.481 10 0 AEAERN Cc1cccc(N)c1C1(O)CCCC1 259413664 573315633 /nfs/dbraw/zinc/31/56/33/573315633.db2.gz JBFGWQNIRLFORJ-UHFFFAOYSA-N 0 0 191.274 2.339 10 0 AEAERN O=Cc1cnc2cc(F)ccc2c1 74308969 573315665 /nfs/dbraw/zinc/31/56/65/573315665.db2.gz GIHIDOQMXSCYRX-UHFFFAOYSA-N 0 0 175.162 2.186 10 0 AEAERN NOCc1ccc2c(c1)CCCS2 106872511 573315686 /nfs/dbraw/zinc/31/56/86/573315686.db2.gz JMEGRPGLNAOLCS-UHFFFAOYSA-N 0 0 195.287 2.115 10 0 AEAERN CC(C)=CC(=O)OC1(C2CC2)CC1 308344029 573315711 /nfs/dbraw/zinc/31/57/11/573315711.db2.gz SXEOGNSZQFNGJR-UHFFFAOYSA-N 0 0 180.247 2.438 10 0 AEAERN O=c1[nH]c(C2CCCC2)co1 258627581 573315712 /nfs/dbraw/zinc/31/57/12/573315712.db2.gz XIRMPHNYFQVFRS-UHFFFAOYSA-N 0 0 153.181 2.038 10 0 AEAERN CC(C)C(=O)[C@@H]1CCCOCC1 74310889 573315715 /nfs/dbraw/zinc/31/57/15/573315715.db2.gz SRHLCIFRIZSELP-SECBINFHSA-N 0 0 170.252 2.028 10 0 AEAERN CCc1ccc(C(=O)C(F)(F)F)[nH]1 238350680 573315736 /nfs/dbraw/zinc/31/57/36/573315736.db2.gz DWPAWEKDMUJJRY-UHFFFAOYSA-N 0 0 191.152 2.322 10 0 AEAERN OCc1c(F)cc(F)c2ccoc12 258003770 573315742 /nfs/dbraw/zinc/31/57/42/573315742.db2.gz GROWRVOXIRTDET-UHFFFAOYSA-N 0 0 184.141 2.203 10 0 AEAERN COc1cc2cc(C)[nH]c2cc1N 74308110 573315769 /nfs/dbraw/zinc/31/57/69/573315769.db2.gz XALWSURDWXCZIE-UHFFFAOYSA-N 0 0 176.219 2.067 10 0 AEAERN CCC(=O)[C@@H](C)n1cc(Cl)cn1 82947904 573315790 /nfs/dbraw/zinc/31/57/90/573315790.db2.gz HNWWOGQKNNTDTO-ZCFIWIBFSA-N 0 0 186.642 2.077 10 0 AEAERN CCc1ccc(C(=O)OC)c(O)c1C 238352202 573315802 /nfs/dbraw/zinc/31/58/02/573315802.db2.gz XQFFKZSCONRNCP-UHFFFAOYSA-N 0 0 194.230 2.050 10 0 AEAERN Nc1ccsc1-c1ccncc1 74307883 573315844 /nfs/dbraw/zinc/31/58/44/573315844.db2.gz ADDVLDGIABIDFL-UHFFFAOYSA-N 0 0 176.244 2.392 10 0 AEAERN CC1(C)NC(=O)c2cc(Cl)ccc21 224004296 573315857 /nfs/dbraw/zinc/31/58/57/573315857.db2.gz XJVUHDHSFCGARO-UHFFFAOYSA-N 0 0 195.649 2.319 10 0 AEAERN CCC(=O)[C@@H](C)n1nc(C)c(C)c1C 82947912 573315898 /nfs/dbraw/zinc/31/58/98/573315898.db2.gz KKYOYIUJAAXTJR-SNVBAGLBSA-N 0 0 194.278 2.348 10 0 AEAERN CC[C@H](C)[C@@H](O)c1ccc(N)cc1 224017712 573315904 /nfs/dbraw/zinc/31/59/04/573315904.db2.gz QBKHGLQMBRJLGC-GZMMTYOYSA-N 0 0 179.263 2.348 10 0 AEAERN CNC(=O)Nc1cc(C)c(C)cc1C 238350883 573315942 /nfs/dbraw/zinc/31/59/42/573315942.db2.gz ZZFLBIJIOWTYNZ-UHFFFAOYSA-N 0 0 192.262 2.363 10 0 AEAERN CCCS[C@H](C)C(=O)CC 82948620 573316013 /nfs/dbraw/zinc/31/60/13/573316013.db2.gz IRKIGBRYBFHCLK-SSDOTTSWSA-N 0 0 160.282 2.497 10 0 AEAERN C[C@H]1C[C@@H]1c1ccc(/C=C/CO)o1 86209654 573316018 /nfs/dbraw/zinc/31/60/18/573316018.db2.gz OBNGNKOVYKGECT-QZWDGIGVSA-N 0 0 178.231 2.409 10 0 AEAERN O=C(c1ccc2c(c1)COC2)C(F)F 236147354 573316047 /nfs/dbraw/zinc/31/60/47/573316047.db2.gz FBADTMXQGMUWCT-UHFFFAOYSA-N 0 0 198.168 2.165 10 0 AEAERN COCc1ccc(/C=C(/C)CO)cc1 86210128 573316151 /nfs/dbraw/zinc/31/61/51/573316151.db2.gz IXPZYRGZICNGMY-YFHOEESVSA-N 0 0 192.258 2.229 10 0 AEAERN COc1cc(C(F)F)nc(C)c1F 238350551 573316167 /nfs/dbraw/zinc/31/61/67/573316167.db2.gz CVTBGLWMUVIZEC-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN CCOC(=O)c1cc(C2CC2)ns1 259413183 573316285 /nfs/dbraw/zinc/31/62/85/573316285.db2.gz KQNSTOWZJVPSHY-UHFFFAOYSA-N 0 0 197.259 2.197 10 0 AEAERN C[C@H]1CCC[C@H](/C=C/CO)C1 86209719 573316307 /nfs/dbraw/zinc/31/63/07/573316307.db2.gz IDIYUVRANHRVAQ-FAELLTOESA-N 0 0 154.253 2.361 10 0 AEAERN C/C(=C\c1sccc1C)CO 86210321 573316325 /nfs/dbraw/zinc/31/63/25/573316325.db2.gz XABDTCWYGJBULL-FNORWQNLSA-N 0 0 168.261 2.452 10 0 AEAERN COc1cccc([C@@H](C)F)c1CCO 258257534 573316406 /nfs/dbraw/zinc/31/64/06/573316406.db2.gz YERXZLRPQWVSOF-MRVPVSSYSA-N 0 0 198.237 2.261 10 0 AEAERN C/C(=C\c1ccc(C)s1)CO 86209976 573316416 /nfs/dbraw/zinc/31/64/16/573316416.db2.gz SPRGYZZCDBGMBL-FNORWQNLSA-N 0 0 168.261 2.452 10 0 AEAERN C[C@H](CO)c1ccc2ncsc2c1 258003739 573316428 /nfs/dbraw/zinc/31/64/28/573316428.db2.gz GQZBDSDNAWPTQA-SSDOTTSWSA-N 0 0 193.271 2.392 10 0 AEAERN CCCc1cc2nccc(Cl)n2n1 106872703 573316435 /nfs/dbraw/zinc/31/64/35/573316435.db2.gz JTNCQYMAZSUWNF-UHFFFAOYSA-N 0 0 195.653 2.335 10 0 AEAERN CC(=O)c1c[nH]c2cccc(O)c12 74308951 573316438 /nfs/dbraw/zinc/31/64/38/573316438.db2.gz ZEKWBSOTKJPVPU-UHFFFAOYSA-N 0 0 175.187 2.076 10 0 AEAERN ONCc1cc(F)c(F)cc1Cl 258003777 573316462 /nfs/dbraw/zinc/31/64/62/573316462.db2.gz GRQQASYHZNXSGS-UHFFFAOYSA-N 0 0 193.580 2.097 10 0 AEAERN C[C@@H]1C[C@@H]1c1ccc(/C=C/CO)o1 86209652 573316480 /nfs/dbraw/zinc/31/64/80/573316480.db2.gz OBNGNKOVYKGECT-DWNUIHGBSA-N 0 0 178.231 2.409 10 0 AEAERN C[C@H](CO)c1cccc(F)c1CF 258003665 573316517 /nfs/dbraw/zinc/31/65/17/573316517.db2.gz GPYKQJIMHFEGML-SSDOTTSWSA-N 0 0 186.201 2.391 10 0 AEAERN COc1cc(F)cc(C(F)F)n1 238351005 573316521 /nfs/dbraw/zinc/31/65/21/573316521.db2.gz FNWFYCLUZHJGQT-UHFFFAOYSA-N 0 0 177.125 2.167 10 0 AEAERN CCC(=S)NC(C)(C)C 117010463 573316612 /nfs/dbraw/zinc/31/66/12/573316612.db2.gz YARISTSLJLHSTB-UHFFFAOYSA-N 0 0 145.271 2.112 10 0 AEAERN CC(C)=CCOC(=O)/C=C\C1CC1 308344027 573316640 /nfs/dbraw/zinc/31/66/40/573316640.db2.gz SWQCBAAATQSUTB-WAYWQWQTSA-N 0 0 180.247 2.462 10 0 AEAERN CCCS[C@@H](C)C(=O)CC 82948618 573316650 /nfs/dbraw/zinc/31/66/50/573316650.db2.gz IRKIGBRYBFHCLK-ZETCQYMHSA-N 0 0 160.282 2.497 10 0 AEAERN CCc1nn(CC)c(CC)c1C(C)=O 132564997 573316901 /nfs/dbraw/zinc/31/69/01/573316901.db2.gz QSNOFZDNZBYVPU-UHFFFAOYSA-N 0 0 194.278 2.230 10 0 AEAERN C/C(=C/c1ccc(N(C)C)s1)CO 86210168 573316715 /nfs/dbraw/zinc/31/67/15/573316715.db2.gz RFMRRUQZPLLNME-VURMDHGXSA-N 0 0 197.303 2.210 10 0 AEAERN COc1ccc(F)c2cnsc12 238350734 573316741 /nfs/dbraw/zinc/31/67/41/573316741.db2.gz DXWBMJSSTCFTHC-UHFFFAOYSA-N 0 0 183.207 2.444 10 0 AEAERN NOCc1csc2cccc(F)c12 258303235 573316778 /nfs/dbraw/zinc/31/67/78/573316778.db2.gz VIKYGZLWHJAMLU-UHFFFAOYSA-N 0 0 197.234 2.431 10 0 AEAERN C[C@H](CO)c1cnc(-c2ccco2)o1 258256105 573316795 /nfs/dbraw/zinc/31/67/95/573316795.db2.gz WZFDXEMVPZGQAQ-SSDOTTSWSA-N 0 0 193.202 2.030 10 0 AEAERN Cc1ccc(C2(O)CCCC2)c(N)c1 259413912 573316844 /nfs/dbraw/zinc/31/68/44/573316844.db2.gz JEDHZEBXWRDLBB-UHFFFAOYSA-N 0 0 191.274 2.339 10 0 AEAERN COc1ccc(C(C)=O)c(Cl)c1N 238351901 573316845 /nfs/dbraw/zinc/31/68/45/573316845.db2.gz MCKKTIDPCUESAP-UHFFFAOYSA-N 0 0 199.637 2.133 10 0 AEAERN CC(C)=C[C@H](O)[Si](C)(C)C 198090588 573316866 /nfs/dbraw/zinc/31/68/66/573316866.db2.gz AZGQXYLLPDEPGS-MRVPVSSYSA-N 0 0 158.317 2.191 10 0 AEAERN CCn1cc([C@@H](O)C2(CC)CC2)cn1 308550904 573316871 /nfs/dbraw/zinc/31/68/71/573316871.db2.gz RUOLTUFNYZCLLF-SNVBAGLBSA-N 0 0 194.278 2.127 10 0 AEAERN CC(=O)[C@@H](O)c1ccc(C(C)C)cc1 106871514 573316879 /nfs/dbraw/zinc/31/68/79/573316879.db2.gz OAFWZPKMYOHGHX-GFCCVEGCSA-N 0 0 192.258 2.432 10 0 AEAERN C/C(=C\c1ccsc1)CO 86210320 573317036 /nfs/dbraw/zinc/31/70/36/573317036.db2.gz XYTCHAUXCUZCHF-QPJJXVBHSA-N 0 0 154.234 2.144 10 0 AEAERN CCc1nn(C(C)C)c(CC)c1CO 132595280 573317103 /nfs/dbraw/zinc/31/71/03/573317103.db2.gz 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/nfs/dbraw/zinc/31/74/90/573317490.db2.gz PVFCFIJXBSFHKY-QMMMGPOBSA-N 0 0 180.251 2.039 10 0 AEAERN CC(=O)[C@H]1Cc2c(Cl)cccc2N1 258303152 573317520 /nfs/dbraw/zinc/31/75/20/573317520.db2.gz VHFKDIOCYMVJMW-SNVBAGLBSA-N 0 0 195.649 2.266 10 0 AEAERN COc1cc(C)c2oncc2c1 238350645 573317547 /nfs/dbraw/zinc/31/75/47/573317547.db2.gz ISCANGDWMFGUFM-UHFFFAOYSA-N 0 0 163.176 2.145 10 0 AEAERN COC(=O)[C@@H]1Cc2cc(C)c(C)cc21 238351568 573317565 /nfs/dbraw/zinc/31/75/65/573317565.db2.gz RAKLBKNQDSMTJM-LLVKDONJSA-N 0 0 190.242 2.116 10 0 AEAERN COC[C@H](C)c1ccc(N)cc1 238352008 573317596 /nfs/dbraw/zinc/31/75/96/573317596.db2.gz XMDCQPYELLUROM-QMMMGPOBSA-N 0 0 165.236 2.019 10 0 AEAERN CC(=O)c1ccc2c(c1Cl)OCO2 258257428 573318770 /nfs/dbraw/zinc/31/87/70/573318770.db2.gz YDNSLGHYUXFDMF-UHFFFAOYSA-N 0 0 198.605 2.271 10 0 AEAERN COc1c(C)cc(CON)c(C)c1C 106872227 573318772 /nfs/dbraw/zinc/31/87/72/573318772.db2.gz ZVJOTSLRRWNKHH-UHFFFAOYSA-N 0 0 195.262 2.011 10 0 AEAERN C[C@@H]1C[C@H]1c1ccc(/C=C/CO)o1 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236155634 573320909 /nfs/dbraw/zinc/32/09/09/573320909.db2.gz DONSPUBEVZPLNJ-VIFPVBQESA-N 0 0 191.205 2.271 10 0 AEAERN Cc1cnc(C(=O)CCC(C)C)nc1 132575015 573320985 /nfs/dbraw/zinc/32/09/85/573320985.db2.gz KUYUZEZTDHFXPE-UHFFFAOYSA-N 0 0 192.262 2.404 10 0 AEAERN CCOC(=O)C[C@@H]1CC=CCC1 231382275 573321156 /nfs/dbraw/zinc/32/11/56/573321156.db2.gz QYDMCCQEUIWLJM-SECBINFHSA-N 0 0 168.236 2.296 10 0 AEAERN CC(=O)CC(C)=C(C)C 117110563 573321203 /nfs/dbraw/zinc/32/12/03/573321203.db2.gz UMVPODZRAZZFCG-UHFFFAOYSA-N 0 0 126.199 2.322 10 0 AEAERN CC(=O)[C@@H]1CC=C[C@H](C)C1 117105300 573322428 /nfs/dbraw/zinc/32/24/28/573322428.db2.gz SMFFYCMTESNKHN-IONNQARKSA-N 0 0 138.210 2.178 10 0 AEAERN CC(C)C[C@H]1C[C@]1(C)CO 117112441 573321310 /nfs/dbraw/zinc/32/13/10/573321310.db2.gz MCSIEAAFMFTFAX-DTWKUNHWSA-N 0 0 142.242 2.051 10 0 AEAERN CCC(=O)[C@@H](OC)c1ccccc1 117068610 573321442 /nfs/dbraw/zinc/32/14/42/573321442.db2.gz NDHNBPBVMOWIDM-NSHDSACASA-N 0 0 178.231 2.353 10 0 AEAERN 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/nfs/dbraw/zinc/32/19/55/573321955.db2.gz OYTYDZIWRYZSER-UHFFFAOYSA-N 0 0 184.279 2.441 10 0 AEAERN COC(=O)/C=C\Cc1ccccc1F 258303959 573321958 /nfs/dbraw/zinc/32/19/58/573321958.db2.gz UZLIWWLEMDRQQX-YWEYNIOJSA-N 0 0 194.205 2.097 10 0 AEAERN Cc1cc(CC(C)(C)C)ncn1 117045346 573322026 /nfs/dbraw/zinc/32/20/26/573322026.db2.gz VXFRPDMHHFHDIZ-UHFFFAOYSA-N 0 0 164.252 2.374 10 0 AEAERN COC(=N)CNc1cccc(Cl)c1 238341249 573322040 /nfs/dbraw/zinc/32/20/40/573322040.db2.gz IEEASEUEHWCHJN-UHFFFAOYSA-N 0 0 198.653 2.376 10 0 AEAERN CCc1noc(CC(C)C)c1N 74333469 573322063 /nfs/dbraw/zinc/32/20/63/573322063.db2.gz CYVBTUNVGWKNJL-UHFFFAOYSA-N 0 0 168.240 2.018 10 0 AEAERN CC[C@H](C)[N@H+](CCCC(=O)[O-])C1CC1 308548905 573322097 /nfs/dbraw/zinc/32/20/97/573322097.db2.gz WPLMPWYNTOXQPI-VIFPVBQESA-N 0 0 199.294 2.114 10 0 AEAERN CSc1cc(C)ccc1CNO 258003878 573322117 /nfs/dbraw/zinc/32/21/17/573322117.db2.gz GUDFWFFWBBUCRT-UHFFFAOYSA-N 0 0 183.276 2.196 10 0 AEAERN COc1ccc(C(=O)CC(C)C)cn1 308553922 573322288 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193.294 2.221 10 0 AEAERN COc1ccc2c(c1)NC=N[C@H]2C 238359931 573330468 /nfs/dbraw/zinc/33/04/68/573330468.db2.gz SMVNJCSVFUUVRZ-ZETCQYMHSA-N 0 0 176.219 2.019 10 0 AEAERN CSCCOc1ccccc1O 129517387 573330532 /nfs/dbraw/zinc/33/05/32/573330532.db2.gz DUFQPGPOHJZKGJ-UHFFFAOYSA-N 0 0 184.260 2.134 10 0 AEAERN C/C(=C\C(C)(C)C)C(=O)OCCF 308349017 573330920 /nfs/dbraw/zinc/33/09/20/573330920.db2.gz XGYPQROQKOVLBT-BQYQJAHWSA-N 0 0 188.242 2.492 10 0 AEAERN Cc1cc2cc(C)c(N)cc2[nH]1 74341839 573330739 /nfs/dbraw/zinc/33/07/39/573330739.db2.gz AXWTWGULJBSSAA-UHFFFAOYSA-N 0 0 160.220 2.367 10 0 AEAERN Cc1ccc2c[nH]nc2c1F 143593464 573330777 /nfs/dbraw/zinc/33/07/77/573330777.db2.gz FHVYYHQAMJEHNO-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN CCc1cc(SC)c(N)c(C)c1N 143658444 573332927 /nfs/dbraw/zinc/33/29/27/573332927.db2.gz YGVBGVUZMVBHPL-UHFFFAOYSA-N 0 0 196.319 2.444 10 0 AEAERN c1cc(Oc2cnsc2)ccn1 258631486 573332833 /nfs/dbraw/zinc/33/28/33/573332833.db2.gz RQOKTIISPOKWJF-UHFFFAOYSA-N 0 0 178.216 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158.204 2.216 10 0 AEAERN CCc1cc(CON)c(C)cc1F 258006174 573352696 /nfs/dbraw/zinc/35/26/96/573352696.db2.gz GYAAZKDYPWABIK-UHFFFAOYSA-N 0 0 183.226 2.087 10 0 AEAERN CCCCC(Cl)(Cl)CO 117557014 573352736 /nfs/dbraw/zinc/35/27/36/573352736.db2.gz MXAGHHDNCLUJKT-UHFFFAOYSA-N 0 0 171.067 2.343 10 0 AEAERN COc1nc(C(F)F)ccc1C 238367299 573352742 /nfs/dbraw/zinc/35/27/42/573352742.db2.gz CWJUBIPZWKWBTP-UHFFFAOYSA-N 0 0 173.162 2.336 10 0 AEAERN C/C=C\C[C@@H](CC)[C@@H](C)O 201072462 573352749 /nfs/dbraw/zinc/35/27/49/573352749.db2.gz GDTNETLKJXAEAT-FXFQRMSGSA-N 0 0 142.242 2.360 10 0 AEAERN C[C@@H](CO)C(=O)c1cccc(Cl)c1 238368409 573352754 /nfs/dbraw/zinc/35/27/54/573352754.db2.gz DPATTYUMGVTHAQ-ZETCQYMHSA-N 0 0 198.649 2.151 10 0 AEAERN CC(C)c1cc(C=O)ns1 107118060 573352834 /nfs/dbraw/zinc/35/28/34/573352834.db2.gz XOHWZCLGSKNIGH-UHFFFAOYSA-N 0 0 155.222 2.079 10 0 AEAERN C/C=C/C=C/C1=C(C)[C@@H](OC)C[C@@H]1O 238367799 573352852 /nfs/dbraw/zinc/35/28/52/573352852.db2.gz 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C[C@@H]1C(=O)CC[C@@H]1CC1CCOCC1 83001654 573354287 /nfs/dbraw/zinc/35/42/87/573354287.db2.gz IBAQNFOEQWZWMK-GXSJLCMTSA-N 0 0 196.290 2.418 10 0 AEAERN CC(C)C[C@@H](O)CC1CC1 82999789 573354278 /nfs/dbraw/zinc/35/42/78/573354278.db2.gz HOMQGXBFZNGNOC-SECBINFHSA-N 0 0 142.242 2.194 10 0 AEAERN Cc1ccnc(C(=O)CC2CC2)c1 82999737 573354313 /nfs/dbraw/zinc/35/43/13/573354313.db2.gz DXKBUGKBSKFBJW-UHFFFAOYSA-N 0 0 175.231 2.373 10 0 AEAERN CC(C)(F)C1(CO)CCCC1 107119873 573354355 /nfs/dbraw/zinc/35/43/55/573354355.db2.gz ANPBSPZDKLWZJU-UHFFFAOYSA-N 0 0 160.232 2.287 10 0 AEAERN COc1cc(N)c2c(c1)CCCC2 238367614 573354385 /nfs/dbraw/zinc/35/43/85/573354385.db2.gz VJJCOOGWWJQZMS-UHFFFAOYSA-N 0 0 177.247 2.156 10 0 AEAERN O=C(CC1CC1)c1ccccn1 82999646 573354392 /nfs/dbraw/zinc/35/43/92/573354392.db2.gz MAPYTXYIBCOITN-UHFFFAOYSA-N 0 0 161.204 2.064 10 0 AEAERN C[C@@H]1C(=O)CC[C@@H]1c1ccoc1 83002961 573354439 /nfs/dbraw/zinc/35/44/39/573354439.db2.gz SXTMFHCJUJQBFH-CBAPKCEASA-N 0 0 164.204 2.362 10 0 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COc1ccccc1[C@@H]1C=CC[C@@H]1O 238368157 573355240 /nfs/dbraw/zinc/35/52/40/573355240.db2.gz ZTKMJRHMEGHLKK-ONGXEEELSA-N 0 0 190.242 2.100 10 0 AEAERN C[C@H](C(N)=O)[C@@H](C)C1CCCCC1 238366931 573355249 /nfs/dbraw/zinc/35/52/49/573355249.db2.gz IWEIJLCKGDTHNS-BDAKNGLRSA-N 0 0 183.295 2.324 10 0 AEAERN C[C@H]1C(=O)CC[C@@H]1C1CCOCC1 83002638 573355254 /nfs/dbraw/zinc/35/52/54/573355254.db2.gz GSUISEAHQFVDGH-SCZZXKLOSA-N 0 0 182.263 2.028 10 0 AEAERN CCOC(=O)c1[nH]cc2ccccc12 117619296 573355255 /nfs/dbraw/zinc/35/52/55/573355255.db2.gz BVPSSFSWWXSMKD-UHFFFAOYSA-N 0 0 189.214 2.345 10 0 AEAERN CCC(O)(CC)[C@@H](O)c1cc(C)co1 715780727 573355278 /nfs/dbraw/zinc/35/52/78/573355278.db2.gz QESRLQIDASTZRK-JTQLQIEISA-N 0 0 198.262 2.173 10 0 AEAERN C[C@@H]1C(=O)CC[C@@H]1c1ccco1 83002633 573355307 /nfs/dbraw/zinc/35/53/07/573355307.db2.gz UJOUCJFKNWXDEQ-YUMQZZPRSA-N 0 0 164.204 2.362 10 0 AEAERN C[C@@H]1C(=O)CC[C@H]1c1cncc(F)c1 83002042 573355311 /nfs/dbraw/zinc/35/53/11/573355311.db2.gz XLFRUQWCRMMZBY-OIBJUYFYSA-N 0 0 193.221 2.303 10 0 AEAERN C[C@H]1C(=O)CC[C@H]1c1ccco1 83002628 573355318 /nfs/dbraw/zinc/35/53/18/573355318.db2.gz UJOUCJFKNWXDEQ-HTQZYQBOSA-N 0 0 164.204 2.362 10 0 AEAERN CC[C@H](C)[C@@H](O)CC1CC1 82999908 573355337 /nfs/dbraw/zinc/35/53/37/573355337.db2.gz BYTDMWJGRCFEFK-CBAPKCEASA-N 0 0 142.242 2.194 10 0 AEAERN C[C@H]1C(=O)CC[C@@H]1c1cncc(F)c1 83002044 573355366 /nfs/dbraw/zinc/35/53/66/573355366.db2.gz XLFRUQWCRMMZBY-XCBNKYQSSA-N 0 0 193.221 2.303 10 0 AEAERN CCCNc1cc(CCC)[nH]n1 129467449 573355368 /nfs/dbraw/zinc/35/53/68/573355368.db2.gz GLEAHVWLQQUUOC-UHFFFAOYSA-N 0 0 167.256 2.184 10 0 AEAERN COc1nc(C(F)F)ccc1CF 238367487 573355403 /nfs/dbraw/zinc/35/54/03/573355403.db2.gz LFMGFEZXWKPGDD-UHFFFAOYSA-N 0 0 191.152 2.497 10 0 AEAERN COCC[C@@H](O)C1CCCCCC1 129475001 573355405 /nfs/dbraw/zinc/35/54/05/573355405.db2.gz YPTYJCSIDJRTRA-LLVKDONJSA-N 0 0 186.295 2.354 10 0 AEAERN COc1c(C)cnc(C(F)F)c1F 238367599 573355406 /nfs/dbraw/zinc/35/54/06/573355406.db2.gz UZRMYTWPVZHVFX-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN Cc1nc2ccc(N)c(C)c2o1 107120108 573355514 /nfs/dbraw/zinc/35/55/14/573355514.db2.gz LAMOOBDLMYJTIL-UHFFFAOYSA-N 0 0 162.192 2.027 10 0 AEAERN COC1=C(C)[C@H](O)C[C@H]1C(C)(C)C 238367542 573355573 /nfs/dbraw/zinc/35/55/73/573355573.db2.gz YVMNOKUMPXVXPI-RKDXNWHRSA-N 0 0 184.279 2.334 10 0 AEAERN Fc1cccc(Cl)c1C[C@@H]1CO1 117605061 573355581 /nfs/dbraw/zinc/35/55/81/573355581.db2.gz NRWBBCQIWVIEGH-ZCFIWIBFSA-N 0 0 186.613 2.420 10 0 AEAERN CSc1sccc1NC=O 238367729 573355610 /nfs/dbraw/zinc/35/56/10/573355610.db2.gz YXPOAFMHTSYXBD-UHFFFAOYSA-N 0 0 173.262 2.038 10 0 AEAERN C=C=C(C)[C@H](O)c1ccccc1OC 238366741 573355634 /nfs/dbraw/zinc/35/56/34/573355634.db2.gz KITHSERRWHMTSD-LBPRGKRZSA-N 0 0 190.242 2.460 10 0 AEAERN COc1c(C)cnc(C(F)F)c1O 238367688 573355659 /nfs/dbraw/zinc/35/56/59/573355659.db2.gz AVRZHZIWQVGIKN-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN CC(C)C(=O)COC(C)(C)C 86277104 573355697 /nfs/dbraw/zinc/35/56/97/573355697.db2.gz CYOJOHLCMLPCNO-UHFFFAOYSA-N 0 0 158.241 2.027 10 0 AEAERN Cc1ccc([C@H]2CCC(=O)[C@H]2C)cn1 83002039 573355711 /nfs/dbraw/zinc/35/57/11/573355711.db2.gz NDAQUZJLHWCRQT-ONGXEEELSA-N 0 0 189.258 2.473 10 0 AEAERN CCc1cc2c([nH]1)CCCC2=O 107120227 573355720 /nfs/dbraw/zinc/35/57/20/573355720.db2.gz HWOZJSCUGSBDPH-UHFFFAOYSA-N 0 0 163.220 2.096 10 0 AEAERN COCC[C@H](O)C1CCCCCC1 129474768 573355724 /nfs/dbraw/zinc/35/57/24/573355724.db2.gz YPTYJCSIDJRTRA-NSHDSACASA-N 0 0 186.295 2.354 10 0 AEAERN C[C@@H]1C(=O)CC[C@@H]1C1CCOCC1 83002639 573355749 /nfs/dbraw/zinc/35/57/49/573355749.db2.gz GSUISEAHQFVDGH-WPRPVWTQSA-N 0 0 182.263 2.028 10 0 AEAERN CC(=O)SCc1cccc(N)c1 117659586 573355759 /nfs/dbraw/zinc/35/57/59/573355759.db2.gz LARPEQSXFGIYOE-UHFFFAOYSA-N 0 0 181.260 2.049 10 0 AEAERN CCCC(=O)CC1CC1 82999660 573355769 /nfs/dbraw/zinc/35/57/69/573355769.db2.gz WHYWNHNHEIZCEJ-UHFFFAOYSA-N 0 0 126.199 2.156 10 0 AEAERN Cc1cn(C)c2cccc(O)c12 107119986 573355775 /nfs/dbraw/zinc/35/57/75/573355775.db2.gz XRKGOSAUNORVBG-UHFFFAOYSA-N 0 0 161.204 2.192 10 0 AEAERN Cc1ccnc([C@@H](O)CC2CC2)c1 82999910 573355782 /nfs/dbraw/zinc/35/57/82/573355782.db2.gz FMSRTOLEFYHLIC-NSHDSACASA-N 0 0 177.247 2.224 10 0 AEAERN Fc1cccc(Cl)c1C[C@H]1CO1 117605064 573355789 /nfs/dbraw/zinc/35/57/89/573355789.db2.gz NRWBBCQIWVIEGH-LURJTMIESA-N 0 0 186.613 2.420 10 0 AEAERN CC(C)(C)c1ccncc1C=O 107120236 573355816 /nfs/dbraw/zinc/35/58/16/573355816.db2.gz MDVFXHYSGONCSV-UHFFFAOYSA-N 0 0 163.220 2.192 10 0 AEAERN O[C@@H](CC1CC1)c1ccoc1 82999918 573355818 /nfs/dbraw/zinc/35/58/18/573355818.db2.gz QIIVYIQLHNEIEE-VIFPVBQESA-N 0 0 152.193 2.113 10 0 AEAERN O[C@@H](CC1CC1)CC(F)(F)F 82999821 573355842 /nfs/dbraw/zinc/35/58/42/573355842.db2.gz VVLQDDHJPIUYHZ-LURJTMIESA-N 0 0 168.158 2.100 10 0 AEAERN Cc1cccn2c(C(C)(C)C)nnc12 258010087 573355864 /nfs/dbraw/zinc/35/58/64/573355864.db2.gz BMHFDIBHNJLEEV-UHFFFAOYSA-N 0 0 189.262 2.335 10 0 AEAERN CCS[C@@H]1CCC(=O)[C@H]1C 83000464 573355906 /nfs/dbraw/zinc/35/59/06/573355906.db2.gz RBASMUIWGDPJEZ-HTRCEHHLSA-N 0 0 158.266 2.107 10 0 AEAERN Cc1cccnc1[C@@H](O)CC1CC1 82999838 573355911 /nfs/dbraw/zinc/35/59/11/573355911.db2.gz PTWUXVHTZKAPDZ-JTQLQIEISA-N 0 0 177.247 2.224 10 0 AEAERN O=Cc1ccc(NC2CC2)cc1 107119971 573355928 /nfs/dbraw/zinc/35/59/28/573355928.db2.gz NDTAJWULHDYKRV-UHFFFAOYSA-N 0 0 161.204 2.073 10 0 AEAERN CSc1ccc(C)c(O)c1[C@@H](C)O 258010673 573355936 /nfs/dbraw/zinc/35/59/36/573355936.db2.gz CWLINOZBMHNAPR-SSDOTTSWSA-N 0 0 198.287 2.476 10 0 AEAERN CCC1([C@H](O)CC[C@H]2CCCO2)CC1 308561163 573355940 /nfs/dbraw/zinc/35/59/40/573355940.db2.gz XKWGMLMENZQEHH-GHMZBOCLSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@@H]1C(=O)CC[C@H]1c1cccnc1 83001528 573355955 /nfs/dbraw/zinc/35/59/55/573355955.db2.gz JDFVQPQNKSYBHI-WCBMZHEXSA-N 0 0 175.231 2.164 10 0 AEAERN CO[C@@H]([NH3+])c1ccc(OC(C)C)cc1 259425853 573355981 /nfs/dbraw/zinc/35/59/81/573355981.db2.gz MYOANEGGYMWGKN-LLVKDONJSA-N 0 0 195.262 2.078 10 0 AEAERN O=Cc1occ2c1CCCCC2 107120330 573356000 /nfs/dbraw/zinc/35/60/00/573356000.db2.gz GECJRCKWIQSNFE-UHFFFAOYSA-N 0 0 164.204 2.361 10 0 AEAERN COc1nc(C(F)F)ccc1F 238367566 573356053 /nfs/dbraw/zinc/35/60/53/573356053.db2.gz JCEXLGHHCJNDQN-UHFFFAOYSA-N 0 0 177.125 2.167 10 0 AEAERN COc1coc2ccc(N)cc12 107120197 573356058 /nfs/dbraw/zinc/35/60/58/573356058.db2.gz RQIDMGASCNDAGC-UHFFFAOYSA-N 0 0 163.176 2.024 10 0 AEAERN C[C@H]1C(=O)CC[C@H]1c1ccoc1 83002955 573356069 /nfs/dbraw/zinc/35/60/69/573356069.db2.gz SXTMFHCJUJQBFH-VXNVDRBHSA-N 0 0 164.204 2.362 10 0 AEAERN CCC1([C@H](O)CC[C@@H]2CCCO2)CC1 308561166 573356916 /nfs/dbraw/zinc/35/69/16/573356916.db2.gz XKWGMLMENZQEHH-WDEREUQCSA-N 0 0 198.306 2.497 10 0 AEAERN OC1(CC[C@H]2CCCOC2)CCCC1 258009721 573356868 /nfs/dbraw/zinc/35/68/68/573356868.db2.gz MSBJCOGTQSDNLT-LLVKDONJSA-N 0 0 198.306 2.498 10 0 AEAERN CC[C@@H](C)C(=O)CC1CC1 82999732 573356873 /nfs/dbraw/zinc/35/68/73/573356873.db2.gz WLBPSVRQSYDNMX-SSDOTTSWSA-N 0 0 140.226 2.402 10 0 AEAERN C[C@H]1C(=O)CC[C@H]1C1CCOCC1 83002634 573356878 /nfs/dbraw/zinc/35/68/78/573356878.db2.gz GSUISEAHQFVDGH-PSASIEDQSA-N 0 0 182.263 2.028 10 0 AEAERN Cc1cc(C)c(OC(N)=O)c(C)c1 117626603 573356880 /nfs/dbraw/zinc/35/68/80/573356880.db2.gz IHDBKHMOISVDIM-UHFFFAOYSA-N 0 0 179.219 2.069 10 0 AEAERN CO[C@H]([NH3+])c1ccc(OC(C)C)cc1 259425856 573356892 /nfs/dbraw/zinc/35/68/92/573356892.db2.gz MYOANEGGYMWGKN-NSHDSACASA-N 0 0 195.262 2.078 10 0 AEAERN NOCc1coc2ccc(Cl)cc12 258010179 573358070 /nfs/dbraw/zinc/35/80/70/573358070.db2.gz CNNBQEMVLGAVSJ-UHFFFAOYSA-N 0 0 197.621 2.477 10 0 AEAERN CCCc1c(N)n[nH]c1-c1ccoc1 86314534 573358286 /nfs/dbraw/zinc/35/82/86/573358286.db2.gz PQOSYSGHBMYIFY-UHFFFAOYSA-N 0 0 191.234 2.204 10 0 AEAERN CCCc1c(N)n[nH]c1[C@@H]1C[C@@H]1C 86314530 573358011 /nfs/dbraw/zinc/35/80/11/573358011.db2.gz AVQCWIPYVGJSGZ-POYBYMJQSA-N 0 0 179.267 2.068 10 0 AEAERN Cc1ccc(N(C)C)c([C@@H](C)O)c1 258010032 573358029 /nfs/dbraw/zinc/35/80/29/573358029.db2.gz MYIGIFPTNFAHQR-SECBINFHSA-N 0 0 179.263 2.114 10 0 AEAERN CC(C)(O)[C@@H]1COc2cccc(F)c21 258010105 573358041 /nfs/dbraw/zinc/35/80/41/573358041.db2.gz IYQYMBMZLRNUMF-SSDOTTSWSA-N 0 0 196.221 2.073 10 0 AEAERN COC1=C([C@@H](C)O)CCCCC1 238368998 573358056 /nfs/dbraw/zinc/35/80/56/573358056.db2.gz FNSXSXTVOBIHJP-MRVPVSSYSA-N 0 0 170.252 2.232 10 0 AEAERN COc1c(C)c[nH]c(=O)c1C(F)F 238368603 573358132 /nfs/dbraw/zinc/35/81/32/573358132.db2.gz XIKMVCVWQCNEBQ-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN CCC1([C@@H](O)CC[C@@H]2CCCO2)CC1 308561165 573358141 /nfs/dbraw/zinc/35/81/41/573358141.db2.gz XKWGMLMENZQEHH-QWRGUYRKSA-N 0 0 198.306 2.497 10 0 AEAERN CC[C@H](C)C[C@H](CC)NOC 132970936 573358250 /nfs/dbraw/zinc/35/82/50/573358250.db2.gz XIDJRTJLDFKCHC-IUCAKERBSA-N 0 0 159.273 2.352 10 0 AEAERN CC[C@@H](C)C[C@@H](CC)NOC 132970400 573358263 /nfs/dbraw/zinc/35/82/63/573358263.db2.gz XIDJRTJLDFKCHC-RKDXNWHRSA-N 0 0 159.273 2.352 10 0 AEAERN CC(C)Cc1ncsc1C=O 107122270 573358322 /nfs/dbraw/zinc/35/83/22/573358322.db2.gz STPYFTDBPARAEM-UHFFFAOYSA-N 0 0 169.249 2.154 10 0 AEAERN CN[C@@H](CF)c1ccccc1F 107123104 573358454 /nfs/dbraw/zinc/35/84/54/573358454.db2.gz IQSXRGTTYPXOSO-VIFPVBQESA-N 0 0 171.190 2.056 10 0 AEAERN CCCCc1nnc([C@@H](C)OC)o1 308363897 573358475 /nfs/dbraw/zinc/35/84/75/573358475.db2.gz NGAVTHBLZXCKRF-SSDOTTSWSA-N 0 0 184.239 2.120 10 0 AEAERN OC1(CC[C@@H]2CCCOC2)CCCC1 258009723 573358494 /nfs/dbraw/zinc/35/84/94/573358494.db2.gz MSBJCOGTQSDNLT-NSHDSACASA-N 0 0 198.306 2.498 10 0 AEAERN CSCNc1cccc(C)n1 238368607 573358499 /nfs/dbraw/zinc/35/84/99/573358499.db2.gz HMQZNZWVANECFF-UHFFFAOYSA-N 0 0 168.265 2.122 10 0 AEAERN Cc1cccc2c1C[C@@H](C(C)(C)O)O2 258298151 573358510 /nfs/dbraw/zinc/35/85/10/573358510.db2.gz UXBXIQXBJQYVBP-NSHDSACASA-N 0 0 192.258 2.069 10 0 AEAERN C[C@H](O)Cc1cccc2c1OC[C@H]2C 258010221 573358547 /nfs/dbraw/zinc/35/85/47/573358547.db2.gz IZWRMTNNULNEDU-BDAKNGLRSA-N 0 0 192.258 2.106 10 0 AEAERN O[C@@H]1CCC[C@H]1c1ccc(Cl)nc1 117643750 573358576 /nfs/dbraw/zinc/35/85/76/573358576.db2.gz DQMRRIVHEYGQQG-DTWKUNHWSA-N 0 0 197.665 2.363 10 0 AEAERN O[C@H]1CCC[C@H]1c1ccc(Cl)nc1 117643756 573358582 /nfs/dbraw/zinc/35/85/82/573358582.db2.gz DQMRRIVHEYGQQG-IUCAKERBSA-N 0 0 197.665 2.363 10 0 AEAERN CN[C@H](CF)c1ccccc1F 107123108 573358680 /nfs/dbraw/zinc/35/86/80/573358680.db2.gz IQSXRGTTYPXOSO-SECBINFHSA-N 0 0 171.190 2.056 10 0 AEAERN CCCCNC(=O)Cc1ccccn1 100316772 573358668 /nfs/dbraw/zinc/35/86/68/573358668.db2.gz RYXJIFWZFWKRAB-LUAWRHEFSA-N 0 0 192.262 2.328 10 0 AEAERN Cc1nc(C(C)(C)C)c(C=O)o1 107121187 573358674 /nfs/dbraw/zinc/35/86/74/573358674.db2.gz WAPDIQWXKYEATR-UHFFFAOYSA-N 0 0 167.208 2.093 10 0 AEAERN Cc1ccc(-c2nc([C@@H](C)O)co2)o1 258293792 573359149 /nfs/dbraw/zinc/35/91/49/573359149.db2.gz ZGRQBVAAQHJASR-SSDOTTSWSA-N 0 0 193.202 2.296 10 0 AEAERN COc1cc(C)c(F)c(C(F)F)n1 238368540 573359165 /nfs/dbraw/zinc/35/91/65/573359165.db2.gz XDMMFZNTEYFMSV-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN Cc1ccc(-c2cnc(N)c(C)c2)cn1 129733108 573359140 /nfs/dbraw/zinc/35/91/40/573359140.db2.gz BQBUBARLJWURMN-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN COc1ccc2c(C=O)c[nH]c2c1F 238368669 573359763 /nfs/dbraw/zinc/35/97/63/573359763.db2.gz LSFKACVMOMSOCP-UHFFFAOYSA-N 0 0 193.177 2.128 10 0 AEAERN CC(C)(F)CNc1cccnc1 107121622 573360052 /nfs/dbraw/zinc/36/00/52/573360052.db2.gz NILOQELWIVDDLF-UHFFFAOYSA-N 0 0 168.215 2.242 10 0 AEAERN C[C@@H]1CC=C[C@@]2(O)CCC[C@@H]12 39059357 573359819 /nfs/dbraw/zinc/35/98/19/573359819.db2.gz DHOYAXXWNDQNLK-KXUCPTDWSA-N 0 0 152.237 2.114 10 0 AEAERN COC(=O)/C=C\Cc1cccs1 258296424 573359935 /nfs/dbraw/zinc/35/99/35/573359935.db2.gz UKMAMHDCAUGVRJ-KXFIGUGUSA-N 0 0 182.244 2.020 10 0 AEAERN COc1ccc([C@@]2(C)CC[C@H]2O)cc1 238369331 573359939 /nfs/dbraw/zinc/35/99/39/573359939.db2.gz SXVNCBZZKFVNLP-VXGBXAGGSA-N 0 0 192.258 2.108 10 0 AEAERN C[C@H](OC(=O)c1ccco1)C1CC1 308364298 573359955 /nfs/dbraw/zinc/35/99/55/573359955.db2.gz GQIOUEGPNSWOKN-ZETCQYMHSA-N 0 0 180.203 2.235 10 0 AEAERN C[C@@H](O)c1coc(-c2cccs2)n1 258293778 573359964 /nfs/dbraw/zinc/35/99/64/573359964.db2.gz ZGKHDSBIKUOJSV-ZCFIWIBFSA-N 0 0 195.243 2.456 10 0 AEAERN COCC1(C[C@@H]2CCC[C@H]2O)CCC1 308563222 573359966 /nfs/dbraw/zinc/35/99/66/573359966.db2.gz GLGMCKRSNBKUEF-WDEREUQCSA-N 0 0 198.306 2.354 10 0 AEAERN Cc1noc2c(F)c(C=O)ccc12 259426586 573360037 /nfs/dbraw/zinc/36/00/37/573360037.db2.gz NLNXZNRXYXMTAD-UHFFFAOYSA-N 0 0 179.150 2.088 10 0 AEAERN Cc1nc(Cl)c2cc(O)ccn12 258299466 573360043 /nfs/dbraw/zinc/36/00/43/573360043.db2.gz OEAUIQODXZFVDT-UHFFFAOYSA-N 0 0 182.610 2.002 10 0 AEAERN OCC/C=C/CC/C=C/CCCCO 238649304 573360046 /nfs/dbraw/zinc/36/00/46/573360046.db2.gz USBNKVHFWNRVEW-ZGEMLFEOSA-N 0 0 198.306 2.424 10 0 AEAERN CCn1c(Cl)nc2cc(O)ccc21 214862143 573360082 /nfs/dbraw/zinc/36/00/82/573360082.db2.gz UDDHAZGLIBOUCI-UHFFFAOYSA-N 0 0 196.637 2.415 10 0 AEAERN COc1ccccc1[C@H]1C=C[C@H](O)C1 238369051 573360161 /nfs/dbraw/zinc/36/01/61/573360161.db2.gz CEJIUWICUBSTEK-UWVGGRQHSA-N 0 0 190.242 2.100 10 0 AEAERN OCc1coc([C@@H]2CCCCS2)n1 258299749 573360180 /nfs/dbraw/zinc/36/01/80/573360180.db2.gz ZPTFCEBDNMJLBH-QMMMGPOBSA-N 0 0 199.275 2.125 10 0 AEAERN OCc1cccc([C@@H]2C[C@H]2F)c1 259609310 573360206 /nfs/dbraw/zinc/36/02/06/573360206.db2.gz DNRXPOJONNMSNF-VHSXEESVSA-N 0 0 166.195 2.004 10 0 AEAERN CCC[C@@H](C)[C@@H](NN)c1ccoc1 132977141 573360245 /nfs/dbraw/zinc/36/02/45/573360245.db2.gz NADBLMWOFVVDRS-PSASIEDQSA-N 0 0 182.267 2.220 10 0 AEAERN Cc1ccc(-c2ncc([C@H](C)O)o2)o1 258299824 573360280 /nfs/dbraw/zinc/36/02/80/573360280.db2.gz ZQXPAYGEBLAVCQ-ZETCQYMHSA-N 0 0 193.202 2.296 10 0 AEAERN C[C@H](O)c1coc(-c2cccs2)n1 258293777 573360329 /nfs/dbraw/zinc/36/03/29/573360329.db2.gz ZGKHDSBIKUOJSV-LURJTMIESA-N 0 0 195.243 2.456 10 0 AEAERN CON[C@@H](c1cccs1)C1CC1 132973010 573360337 /nfs/dbraw/zinc/36/03/37/573360337.db2.gz XTWIESGUFOFQRZ-SECBINFHSA-N 0 0 183.276 2.350 10 0 AEAERN COc1cc(F)ncc1C(F)F 238360429 573360348 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192.258 2.481 10 0 AEAERN CC(=O)C[C@@H]1CCCCCC1=O 117689324 573365359 /nfs/dbraw/zinc/36/53/59/573365359.db2.gz UJSZNPKZSFYPBL-VIFPVBQESA-N 0 0 168.236 2.115 10 0 AEAERN Nc1cccc2nc(-c3ccco3)cn12 258008284 573365310 /nfs/dbraw/zinc/36/53/10/573365310.db2.gz QSNWDOYVLNLMIY-UHFFFAOYSA-N 0 0 199.213 2.177 10 0 AEAERN CCCCc1ncc([C@@H](C)O)c(C)n1 86324033 573365314 /nfs/dbraw/zinc/36/53/14/573365314.db2.gz QSOBPQPDXRKHHS-SECBINFHSA-N 0 0 194.278 2.181 10 0 AEAERN C/C=C/C(=O)NCCC1CCCC1 83021475 573364458 /nfs/dbraw/zinc/36/44/58/573364458.db2.gz DFPRMPBLUFTVBC-GORDUTHDSA-N 0 0 181.279 2.259 10 0 AEAERN CC1(C)CC[C@@H]2NC(=O)CC[C@@H]2C1 107128545 573364470 /nfs/dbraw/zinc/36/44/70/573364470.db2.gz LOAMCYCUHAFASO-BDAKNGLRSA-N 0 0 181.279 2.091 10 0 AEAERN CCC[C@@H](C)[C@H](NN)c1ccoc1 132976720 573364475 /nfs/dbraw/zinc/36/44/75/573364475.db2.gz NADBLMWOFVVDRS-SCZZXKLOSA-N 0 0 182.267 2.220 10 0 AEAERN CC(C)N1CCc2c(C=O)cccc21 258318396 573364478 /nfs/dbraw/zinc/36/44/78/573364478.db2.gz 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/nfs/dbraw/zinc/37/15/82/573371582.db2.gz DGBDYODACPFMIL-UHFFFAOYSA-N 0 0 188.658 2.300 10 0 AEAERN CCCC(CCC)NOCC 133060130 573371619 /nfs/dbraw/zinc/37/16/19/573371619.db2.gz QVGRZVWSNGQLRS-UHFFFAOYSA-N 0 0 159.273 2.496 10 0 AEAERN CCN1C[C@H](C)Nc2ccc(O)cc21 259428368 573371641 /nfs/dbraw/zinc/37/16/41/573371641.db2.gz YYOQRHWULJAMIP-QMMMGPOBSA-N 0 0 192.262 2.033 10 0 AEAERN COc1cccc(C2CC2)c1O 117885957 573373991 /nfs/dbraw/zinc/37/39/91/573373991.db2.gz GAZCGXOWWZJZQV-UHFFFAOYSA-N 0 0 164.204 2.278 10 0 AEAERN CC(C)[C@@H](C)[C@H](NN)c1ccco1 133074444 573374695 /nfs/dbraw/zinc/37/46/95/573374695.db2.gz YQVYLJQODQWWJT-SCZZXKLOSA-N 0 0 182.267 2.076 10 0 AEAERN CC[C@H](C)CNOCC(C)C 133105720 573371655 /nfs/dbraw/zinc/37/16/55/573371655.db2.gz UIKNZZARWMVKGL-VIFPVBQESA-N 0 0 159.273 2.210 10 0 AEAERN Cc1ccc2nnc(CC(C)C)n2c1 258015616 573371660 /nfs/dbraw/zinc/37/16/60/573371660.db2.gz QPRGXPMIDVTUAT-UHFFFAOYSA-N 0 0 189.262 2.236 10 0 AEAERN CC[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@@H]1C 83050517 573375814 /nfs/dbraw/zinc/37/58/14/573375814.db2.gz SRLIVIQGWYRUDB-FXPVBKGRSA-N 0 0 195.306 2.337 10 0 AEAERN CCC[C@H](C)[C@H](NN)c1ccco1 133065522 573373066 /nfs/dbraw/zinc/37/30/66/573373066.db2.gz ICEMQNAJWZOHKC-WPRPVWTQSA-N 0 0 182.267 2.220 10 0 AEAERN COc1ccc(F)c(C)c1C[C@@H](C)O 258014199 573371679 /nfs/dbraw/zinc/37/16/79/573371679.db2.gz HQODWYVQUWQKPD-SSDOTTSWSA-N 0 0 198.237 2.066 10 0 AEAERN COCc1coc2ccc(N)cc12 258016282 573371693 /nfs/dbraw/zinc/37/16/93/573371693.db2.gz LZKOMIKPPDRDCU-UHFFFAOYSA-N 0 0 177.203 2.161 10 0 AEAERN Cc1cc2ccc(CCON)cc2o1 258016665 573371715 /nfs/dbraw/zinc/37/17/15/573371715.db2.gz HTWLXSJCBAZEPW-UHFFFAOYSA-N 0 0 191.230 2.174 10 0 AEAERN CCOC(=O)N1CC[C@H](C)[C@@H]1CC 308365583 573371776 /nfs/dbraw/zinc/37/17/76/573371776.db2.gz NYTURVYXPKCREY-IUCAKERBSA-N 0 0 185.267 2.263 10 0 AEAERN Cc1cc(O)c(C(C)(C)O)cc1C 258014371 573371806 /nfs/dbraw/zinc/37/18/06/573371806.db2.gz NGKXADHBLMCJAQ-UHFFFAOYSA-N 0 0 180.247 2.236 10 0 AEAERN OCCc1csc2c1CCCC2 117859869 573371807 /nfs/dbraw/zinc/37/18/07/573371807.db2.gz OJKAJJJGSHQYTR-UHFFFAOYSA-N 0 0 182.288 2.162 10 0 AEAERN CC(C)CON[C@H](C)C1(C)CC1 133106681 573371815 /nfs/dbraw/zinc/37/18/15/573371815.db2.gz OWQSPFNRHFUSIF-SECBINFHSA-N 0 0 171.284 2.352 10 0 AEAERN Nc1cc(-c2cccc3cc[nH]c23)no1 258016577 573371845 /nfs/dbraw/zinc/37/18/45/573371845.db2.gz DDZKQAWCENKWJZ-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN Cc1cccc2c1C[C@H]([C@@H](C)O)S2 258322862 573372953 /nfs/dbraw/zinc/37/29/53/573372953.db2.gz WPSFEQLFJHZCTB-LDYMZIIASA-N 0 0 194.299 2.393 10 0 AEAERN C[C@H](CO)c1ccc2cnccc2c1 258016714 573371902 /nfs/dbraw/zinc/37/19/02/573371902.db2.gz HURDZNNIKCSPFP-SECBINFHSA-N 0 0 187.242 2.331 10 0 AEAERN C[C@@H](F)c1ccccc1CCON 258014299 573371938 /nfs/dbraw/zinc/37/19/38/573371938.db2.gz HRNDRBMJSVVVTG-MRVPVSSYSA-N 0 0 183.226 2.150 10 0 AEAERN CCC(CC)NC(=O)C[C@H]1C[C@@H]1C 308374085 573371942 /nfs/dbraw/zinc/37/19/42/573371942.db2.gz RKCNVWSYYZZGEB-DTWKUNHWSA-N 0 0 183.295 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/nfs/dbraw/zinc/37/28/30/573372830.db2.gz NGUPLOUCQWHENI-QMMMGPOBSA-N 0 0 168.211 2.252 10 0 AEAERN C[C@H](F)c1ccccc1CCON 258014301 573372868 /nfs/dbraw/zinc/37/28/68/573372868.db2.gz HRNDRBMJSVVVTG-QMMMGPOBSA-N 0 0 183.226 2.150 10 0 AEAERN CCC[C@@H](C)[C@@H](NN)c1ccco1 133065726 573372874 /nfs/dbraw/zinc/37/28/74/573372874.db2.gz ICEMQNAJWZOHKC-PSASIEDQSA-N 0 0 182.267 2.220 10 0 AEAERN CCCC[C@H](CC)NOCC 133071419 573372889 /nfs/dbraw/zinc/37/28/89/573372889.db2.gz ORRFYBIXZODDDC-VIFPVBQESA-N 0 0 159.273 2.496 10 0 AEAERN Cc1ccc(CC2(O)CC2)c(C)c1 258015912 573373035 /nfs/dbraw/zinc/37/30/35/573373035.db2.gz NOSIPAMDROXNIT-UHFFFAOYSA-N 0 0 176.259 2.371 10 0 AEAERN COc1c(C)ncc(F)c1C(F)F 238371095 573373038 /nfs/dbraw/zinc/37/30/38/573373038.db2.gz KZVOQKPBPUHSMC-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN CCON[C@@H](C)c1ccc(C)o1 133084180 573373574 /nfs/dbraw/zinc/37/35/74/573373574.db2.gz UYBKSEJEYHFRJN-QMMMGPOBSA-N 0 0 169.224 2.190 10 0 AEAERN COc1cc(C)c(C)cc1C1(O)CC1 258014312 573373631 /nfs/dbraw/zinc/37/36/31/573373631.db2.gz HRRNGLFJDQGVCH-UHFFFAOYSA-N 0 0 192.258 2.293 10 0 AEAERN CCONC[C@@H]1CCC[C@@H](C)C1 133081602 573373634 /nfs/dbraw/zinc/37/36/34/573373634.db2.gz QQDJECCHAUSVMR-NXEZZACHSA-N 0 0 171.284 2.354 10 0 AEAERN CCONCC1CCC(C)CC1 133073641 573373695 /nfs/dbraw/zinc/37/36/95/573373695.db2.gz VZLUSMHSMIFHIQ-UHFFFAOYSA-N 0 0 171.284 2.354 10 0 AEAERN COc1cc(C)cc(C(C)(C)O)c1 258016036 573373728 /nfs/dbraw/zinc/37/37/28/573373728.db2.gz NRJCZUAMKSJDHN-UHFFFAOYSA-N 0 0 180.247 2.231 10 0 AEAERN CCc1cccc(CCCO)c1OC 258016703 573373734 /nfs/dbraw/zinc/37/37/34/573373734.db2.gz HUQQVKMXRXHWOA-UHFFFAOYSA-N 0 0 194.274 2.183 10 0 AEAERN Cc1cc(F)cc(C(C)(C)CO)c1 258013930 573373752 /nfs/dbraw/zinc/37/37/52/573373752.db2.gz HOLYKIRWUUHEBB-UHFFFAOYSA-N 0 0 182.238 2.404 10 0 AEAERN CC(C)[C@H](C)[C@H](NN)c1ccco1 133074647 573373768 /nfs/dbraw/zinc/37/37/68/573373768.db2.gz YQVYLJQODQWWJT-WPRPVWTQSA-N 0 0 182.267 2.076 10 0 AEAERN CCCC(=O)CCC(F)F 86352650 573374059 /nfs/dbraw/zinc/37/40/59/573374059.db2.gz DKRDAGMZBGSFIA-UHFFFAOYSA-N 0 0 150.168 2.401 10 0 AEAERN COc1cc(C)c([C@H](C)CO)c(C)c1 258014077 573373769 /nfs/dbraw/zinc/37/37/69/573373769.db2.gz HPHLYUIAEXNFTP-SNVBAGLBSA-N 0 0 194.274 2.408 10 0 AEAERN O=Cc1cnc2[nH]c(C3CC3)cc2c1 117915375 573373797 /nfs/dbraw/zinc/37/37/97/573373797.db2.gz PJOZKXGHCBLSHX-UHFFFAOYSA-N 0 0 186.214 2.253 10 0 AEAERN COc1cccc(O)c1C1CC1 117880624 573373829 /nfs/dbraw/zinc/37/38/29/573373829.db2.gz HXGXLADZSVQBTC-UHFFFAOYSA-N 0 0 164.204 2.278 10 0 AEAERN CC(C)(C)C(=O)C[C@@H]1CCC[C@H]1O 86352789 573373854 /nfs/dbraw/zinc/37/38/54/573373854.db2.gz OKJGNSPCFWYWFX-DTWKUNHWSA-N 0 0 184.279 2.153 10 0 AEAERN CC(C)Cc1ncc(C[C@H](C)O)s1 259431694 573373877 /nfs/dbraw/zinc/37/38/77/573373877.db2.gz ZEZPDZMDAUGYEJ-QMMMGPOBSA-N 0 0 199.319 2.265 10 0 AEAERN COc1nc(C)ccc1C(F)F 238372161 573373905 /nfs/dbraw/zinc/37/39/05/573373905.db2.gz VGUZKKUOLHEYBT-UHFFFAOYSA-N 0 0 173.162 2.336 10 0 AEAERN 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COc1cc(C)c(=O)[nH]c1C(F)F 238370658 573374623 /nfs/dbraw/zinc/37/46/23/573374623.db2.gz JPGIJESUSFVNCN-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN CC(C)(C)C(=O)C[C@H]1CCC[C@H]1O 86352791 573374627 /nfs/dbraw/zinc/37/46/27/573374627.db2.gz OKJGNSPCFWYWFX-RKDXNWHRSA-N 0 0 184.279 2.153 10 0 AEAERN CC[C@@H]1CC[C@@H](N2CCC(=O)C2)[C@@H]1C 83049349 573374652 /nfs/dbraw/zinc/37/46/52/573374652.db2.gz SDVKORCMJYOBLP-CKYFFXLPSA-N 0 0 195.306 2.086 10 0 AEAERN C[C@H]1CCNc2c(F)cccc2N1C 107137442 573374657 /nfs/dbraw/zinc/37/46/57/573374657.db2.gz NXFQVWQOVMVPQA-QMMMGPOBSA-N 0 0 194.253 2.466 10 0 AEAERN CCCOc1cccc(OCC)c1N 129661425 573374691 /nfs/dbraw/zinc/37/46/91/573374691.db2.gz NGTCQRCXXWQZOG-UHFFFAOYSA-N 0 0 195.262 2.456 10 0 AEAERN C[C@@H](OC(=O)C(F)F)c1ccco1 308375625 573374756 /nfs/dbraw/zinc/37/47/56/573374756.db2.gz NIYHJBTZCUATGU-RXMQYKEDSA-N 0 0 190.145 2.149 10 0 AEAERN CCOc1cccc(OC(C)C)c1N 129657866 573375046 /nfs/dbraw/zinc/37/50/46/573375046.db2.gz XQLLSPMXTLSNNT-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/37/63/93/573376393.db2.gz OKJGNSPCFWYWFX-IUCAKERBSA-N 0 0 184.279 2.153 10 0 AEAERN C=CC(=O)N[C@@H]1CC[C@@H](CC)[C@H]1C 83047070 573376415 /nfs/dbraw/zinc/37/64/15/573376415.db2.gz BNOCGXKSFUJMKC-OPRDCNLKSA-N 0 0 181.279 2.113 10 0 AEAERN C[Si](C)(C)COC(=O)/C=C/C1CC1 308375042 573376424 /nfs/dbraw/zinc/37/64/24/573376424.db2.gz NBPAEHZTFACXEL-VOTSOKGWSA-N 0 0 198.338 2.373 10 0 AEAERN CNC(=O)N(C)c1ccc(C)c(C)c1 258641085 573376477 /nfs/dbraw/zinc/37/64/77/573376477.db2.gz GAAMZVFVVMXASK-UHFFFAOYSA-N 0 0 192.262 2.079 10 0 AEAERN CO[C@H]1CCC[C@H](CC(C)=O)C1 86352435 573376495 /nfs/dbraw/zinc/37/64/95/573376495.db2.gz COSUAOCZVWBJIO-ZJUUUORDSA-N 0 0 170.252 2.171 10 0 AEAERN CCC(=O)N[C@@H]1CC[C@@H](CC)[C@H]1C 83050495 573377832 /nfs/dbraw/zinc/37/78/32/573377832.db2.gz PCRSYYQTJDUYRO-OPRDCNLKSA-N 0 0 183.295 2.337 10 0 AEAERN COc1ccc2c(c1)NCC[C@H](C)N2 107136054 573376535 /nfs/dbraw/zinc/37/65/35/573376535.db2.gz MSLUKCCMYNMEQC-QMMMGPOBSA-N 0 0 192.262 2.311 10 0 AEAERN CC[C@H](C)Oc1cccc(OC)c1N 129663510 573376633 /nfs/dbraw/zinc/37/66/33/573376633.db2.gz CIPQXYALYRNXRJ-QMMMGPOBSA-N 0 0 195.262 2.455 10 0 AEAERN CC[C@@H]1CC[C@H](NC(=O)C2CC2)[C@@H]1C 83050512 573376653 /nfs/dbraw/zinc/37/66/53/573376653.db2.gz SRLIVIQGWYRUDB-KKZNHRDASA-N 0 0 195.306 2.337 10 0 AEAERN Oc1ccc(Cl)cc1CC1(O)CC1 258016780 573376658 /nfs/dbraw/zinc/37/66/58/573376658.db2.gz DFTHKSJJTZLWPC-UHFFFAOYSA-N 0 0 198.649 2.113 10 0 AEAERN CSc1ccc(CNO)cc1C 258016839 573376676 /nfs/dbraw/zinc/37/66/76/573376676.db2.gz HWFYNFHFDWCNJR-UHFFFAOYSA-N 0 0 183.276 2.196 10 0 AEAERN Nc1c[nH]cc1-c1ccccc1F 258018840 573376708 /nfs/dbraw/zinc/37/67/08/573376708.db2.gz BOENDUOXTZZNRH-UHFFFAOYSA-N 0 0 176.194 2.403 10 0 AEAERN COc1cccc2c1CC(=O)CCC2 117918836 573376722 /nfs/dbraw/zinc/37/67/22/573376722.db2.gz ZQNHGSJOVLWBQS-UHFFFAOYSA-N 0 0 190.242 2.143 10 0 AEAERN O=C(c1ccoc1)C(F)(F)C(F)F 236195645 573376752 /nfs/dbraw/zinc/37/67/52/573376752.db2.gz NOHCSLPFSYIMMM-UHFFFAOYSA-N 0 0 196.099 2.363 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/nfs/dbraw/zinc/37/72/79/573377279.db2.gz KWOXSQUIWDFUSD-UHFFFAOYSA-N 0 0 180.594 2.390 10 0 AEAERN C[C@@H]1CC[C@H](Nc2ncccn2)[C@@H]1C 83045480 573377287 /nfs/dbraw/zinc/37/72/87/573377287.db2.gz SMEFMOCBMHTIPB-BBBLOLIVSA-N 0 0 191.278 2.323 10 0 AEAERN C[C@@H]1CC[C@H](Nc2cccnn2)[C@@H]1C 83045359 573377306 /nfs/dbraw/zinc/37/73/06/573377306.db2.gz FQNFYRWWNDJHPX-BBBLOLIVSA-N 0 0 191.278 2.323 10 0 AEAERN COc1cccc2c1C(=O)C2(C)C 117876522 573377323 /nfs/dbraw/zinc/37/73/23/573377323.db2.gz AIUHQWIKXTXPPX-UHFFFAOYSA-N 0 0 176.215 2.169 10 0 AEAERN CC(C)(C)c1ccc2[nH]c(=O)oc2c1 117900456 573377367 /nfs/dbraw/zinc/37/73/67/573377367.db2.gz SOFXMTPJGAMAAC-UHFFFAOYSA-N 0 0 191.230 2.419 10 0 AEAERN C[C@H]1CCc2ccc(CON)cc21 258017938 573377882 /nfs/dbraw/zinc/37/78/82/573377882.db2.gz NVNKHTXHKLJYIB-QMMMGPOBSA-N 0 0 177.247 2.127 10 0 AEAERN CC(C)C(=O)N[C@@H]1CC[C@H](C)[C@H]1C 83046578 573377452 /nfs/dbraw/zinc/37/74/52/573377452.db2.gz WBBLQADDLXPIOP-IVZWLZJFSA-N 0 0 183.295 2.193 10 0 AEAERN 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/nfs/dbraw/zinc/37/81/59/573378159.db2.gz BTMACSYVBXHUSS-UHFFFAOYSA-N 0 0 187.198 2.056 10 0 AEAERN C[C@@H]1CCc2ccc(CON)cc21 258017937 573378197 /nfs/dbraw/zinc/37/81/97/573378197.db2.gz NVNKHTXHKLJYIB-MRVPVSSYSA-N 0 0 177.247 2.127 10 0 AEAERN CNc1ccc2c(c1)NCCS2 259100063 573378260 /nfs/dbraw/zinc/37/82/60/573378260.db2.gz FMNAWBGZDRAPFQ-UHFFFAOYSA-N 0 0 180.276 2.246 10 0 AEAERN O=C1C[C@H]2[C@@H](C1)[C@@H]2c1ccccc1 117961294 573378268 /nfs/dbraw/zinc/37/82/68/573378268.db2.gz WCNHXXLNVKWMTF-GDNZZTSVSA-N 0 0 172.227 2.379 10 0 AEAERN COc1ccc2c([C@@H](C)O)coc2c1 238372457 573378271 /nfs/dbraw/zinc/37/82/71/573378271.db2.gz VIPIQRVGKXXKJA-SSDOTTSWSA-N 0 0 192.214 2.495 10 0 AEAERN CCc1occc1[C@H](O)CCCOC 234293936 573378286 /nfs/dbraw/zinc/37/82/86/573378286.db2.gz PHBIFELRQQZEIK-SNVBAGLBSA-N 0 0 198.262 2.302 10 0 AEAERN CSC[C@@]1(C)CCCCC1=O 238372667 573378328 /nfs/dbraw/zinc/37/83/28/573378328.db2.gz VTIVJAXOBRPFHN-SECBINFHSA-N 0 0 172.293 2.499 10 0 AEAERN 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238388940 573408574 /nfs/dbraw/zinc/40/85/74/573408574.db2.gz VMOJXNMDROTYRM-UHFFFAOYSA-N 0 0 170.183 2.173 10 0 AEAERN COc1ccc(-c2ccon2)c(O)c1 238388770 573408577 /nfs/dbraw/zinc/40/85/77/573408577.db2.gz ACYXEWDFWOUMST-UHFFFAOYSA-N 0 0 191.186 2.056 10 0 AEAERN CS[C@@H]1N=CNc2ccccc21 238388912 573408608 /nfs/dbraw/zinc/40/86/08/573408608.db2.gz ZPICVKCCWSGRMC-VIFPVBQESA-N 0 0 178.260 2.311 10 0 AEAERN Cc1nc2c(C)nc(Cl)nc2s1 107189650 573408613 /nfs/dbraw/zinc/40/86/13/573408613.db2.gz XNSGTVIDZYBQDU-UHFFFAOYSA-N 0 0 199.666 2.357 10 0 AEAERN CSc1ccc2c(c1)OCC[C@@H]2O 238380940 573408667 /nfs/dbraw/zinc/40/86/67/573408667.db2.gz NOXQXGZDTYOPNA-VIFPVBQESA-N 0 0 196.271 2.224 10 0 AEAERN CS[C@@H]1OCc2ccc(O)cc21 238388981 573408761 /nfs/dbraw/zinc/40/87/61/573408761.db2.gz XVEXUBZGVBZWIT-VIFPVBQESA-N 0 0 182.244 2.284 10 0 AEAERN CCCCC(=O)N(C)[C@@H]1CC1(C)C 308385216 573408795 /nfs/dbraw/zinc/40/87/95/573408795.db2.gz WLFUPLYTDOOVAI-SECBINFHSA-N 0 0 183.295 2.434 10 0 AEAERN CCC1(C[C@H](NN)[C@H]2C[C@@H]2C)CCC1 308577322 573408802 /nfs/dbraw/zinc/40/88/02/573408802.db2.gz NHJTZNBBIQAJID-DCAQKATOSA-N 0 0 196.338 2.445 10 0 AEAERN O=C1OCC[C@@H]1C1CCCCC1 118584262 573409673 /nfs/dbraw/zinc/40/96/73/573409673.db2.gz BBDUBWZEVHPKHW-SECBINFHSA-N 0 0 168.236 2.130 10 0 AEAERN CCCc1nc2c(s1)CCC[C@@H]2O 83117314 573409701 /nfs/dbraw/zinc/40/97/01/573409701.db2.gz TZIKGYRCVACATL-ZETCQYMHSA-N 0 0 197.303 2.465 10 0 AEAERN C[C@@H](CO)[C@H]1CCc2ccccc2N1 238381515 573409779 /nfs/dbraw/zinc/40/97/79/573409779.db2.gz WRNWUHGXOBWBDX-GXSJLCMTSA-N 0 0 191.274 2.042 10 0 AEAERN CC(C)CC[C@@H](NN)C1(C)CC1 129885280 573409799 /nfs/dbraw/zinc/40/97/99/573409799.db2.gz DAUGBSDVSAMLAJ-SECBINFHSA-N 0 0 170.300 2.055 10 0 AEAERN CSc1ccc2c(c1)OCC[C@H]2O 238381339 573409835 /nfs/dbraw/zinc/40/98/35/573409835.db2.gz NOXQXGZDTYOPNA-SECBINFHSA-N 0 0 196.271 2.224 10 0 AEAERN C[C@H]1NC(=O)Nc2cc(F)ccc21 257811130 573409862 /nfs/dbraw/zinc/40/98/62/573409862.db2.gz AWFXGTHSBSCCGH-RXMQYKEDSA-N 0 0 180.182 2.022 10 0 AEAERN C[C@@H](CO)c1ccc2cc[nH]c2c1F 258018963 573409914 /nfs/dbraw/zinc/40/99/14/573409914.db2.gz HXZIYSZXKQIYFG-ZETCQYMHSA-N 0 0 193.221 2.403 10 0 AEAERN COc1nc(-c2ccccn2)cs1 259101825 573410051 /nfs/dbraw/zinc/41/00/51/573410051.db2.gz AOHCDFHJXKPOMT-UHFFFAOYSA-N 0 0 192.243 2.214 10 0 AEAERN CCC(=O)[C@H]1Cc2ccccc21 83120341 573411650 /nfs/dbraw/zinc/41/16/50/573411650.db2.gz VQAUJYGPGJNIMC-JTQLQIEISA-N 0 0 160.216 2.305 10 0 AEAERN CC(C)=CC(=O)NC1CC(C2CC2)C1 714691028 573411660 /nfs/dbraw/zinc/41/16/60/573411660.db2.gz BAQXGSWNDBSLAD-UHFFFAOYSA-N 0 0 193.290 2.257 10 0 AEAERN Clc1cc(-c2cccnc2)no1 83119807 573411583 /nfs/dbraw/zinc/41/15/83/573411583.db2.gz DRYMNQVTBLGKHB-UHFFFAOYSA-N 0 0 180.594 2.390 10 0 AEAERN S=CN1CCc2ccccc21 118631039 573411098 /nfs/dbraw/zinc/41/10/98/573411098.db2.gz BITYLQZAXOPACB-UHFFFAOYSA-N 0 0 163.245 2.006 10 0 AEAERN C[C@@H](CO)c1cccc(C(C)(C)O)c1 238382433 573411214 /nfs/dbraw/zinc/41/12/14/573411214.db2.gz GMKXUELYQMATIJ-VIFPVBQESA-N 0 0 194.274 2.010 10 0 AEAERN CC(C)[C@H]([C@H](C)CO)n1cccc1 393585404 573411219 /nfs/dbraw/zinc/41/12/19/573411219.db2.gz RBSAMLGONAWSTJ-GHMZBOCLSA-N 0 0 181.279 2.314 10 0 AEAERN CC1([C@H](CC2CCCC2)NN)CC1 129887806 573411225 /nfs/dbraw/zinc/41/12/25/573411225.db2.gz POSMSMCQRMWQTK-JTQLQIEISA-N 0 0 182.311 2.199 10 0 AEAERN CC(C)[C@H](O)[C@@H]1Cc2ccccc21 83121063 573411297 /nfs/dbraw/zinc/41/12/97/573411297.db2.gz CBUVYZWGWVFSNA-NEPJUHHUSA-N 0 0 176.259 2.343 10 0 AEAERN Cc1ccc([C@@H](O)C2CCC2)cn1 83120623 573411384 /nfs/dbraw/zinc/41/13/84/573411384.db2.gz GVTURKQJRCKTMP-NSHDSACASA-N 0 0 177.247 2.224 10 0 AEAERN COc1ccc(=O)c2ccc(C)[nH]c1-2 238381860 573411401 /nfs/dbraw/zinc/41/14/01/573411401.db2.gz GNJFCULRDOUMCK-UHFFFAOYSA-N 0 0 189.214 2.257 10 0 AEAERN C[C@@H](CO)c1ccc2ccccc2n1 238382816 573411429 /nfs/dbraw/zinc/41/14/29/573411429.db2.gz MOVAALQJUROLKY-VIFPVBQESA-N 0 0 187.242 2.331 10 0 AEAERN O=C(CC1CCOCC1)C1CCC1 83120280 573411457 /nfs/dbraw/zinc/41/14/57/573411457.db2.gz DTYZXGPZLRUNDK-UHFFFAOYSA-N 0 0 182.263 2.172 10 0 AEAERN CO[C@@]1(CC(C)C)CCCC[C@H]1O 238382110 573411461 /nfs/dbraw/zinc/41/14/61/573411461.db2.gz ZFWLNZKSCVDMRB-GHMZBOCLSA-N 0 0 186.295 2.353 10 0 AEAERN Cc1cccc2c1NC(=O)[C@]21C[C@@H]1C 235590937 573411669 /nfs/dbraw/zinc/41/16/69/573411669.db2.gz ZPRZXZUIUPSRSU-UFBFGSQYSA-N 0 0 187.242 2.225 10 0 AEAERN CC1([C@@H](CC2CCCC2)NN)CC1 129887595 573411695 /nfs/dbraw/zinc/41/16/95/573411695.db2.gz POSMSMCQRMWQTK-SNVBAGLBSA-N 0 0 182.311 2.199 10 0 AEAERN Cc1c(F)cc(F)cc1[C@@H](C)CO 258018992 573411943 /nfs/dbraw/zinc/41/19/43/573411943.db2.gz HYETXDHVDPKXOR-LURJTMIESA-N 0 0 186.201 2.369 10 0 AEAERN COc1ccc(O)cc1CC1CC1 238382273 573411712 /nfs/dbraw/zinc/41/17/12/573411712.db2.gz DVYVCQAIXJJGCV-UHFFFAOYSA-N 0 0 178.231 2.353 10 0 AEAERN OCc1nc2cccc(Cl)c2s1 83119848 573411716 /nfs/dbraw/zinc/41/17/16/573411716.db2.gz RBIYGPWOYMFQLX-UHFFFAOYSA-N 0 0 199.662 2.442 10 0 AEAERN Cc1coc([C@@H](O)COCC2CC2)c1 715801186 573411747 /nfs/dbraw/zinc/41/17/47/573411747.db2.gz XBLXZWNHMIQEQC-JTQLQIEISA-N 0 0 196.246 2.048 10 0 AEAERN CSc1ccc2cc[nH]c2n1 238381896 573411748 /nfs/dbraw/zinc/41/17/48/573411748.db2.gz MVCXRRMVYDRLDP-UHFFFAOYSA-N 0 0 164.233 2.285 10 0 AEAERN COc1c(CF)cncc1C(F)F 238381595 573411778 /nfs/dbraw/zinc/41/17/78/573411778.db2.gz AENHQXVAJXQQAX-UHFFFAOYSA-N 0 0 191.152 2.497 10 0 AEAERN O[C@H](CC1CC1)[C@@H]1Cc2ccccc21 83121252 573411871 /nfs/dbraw/zinc/41/18/71/573411871.db2.gz FZCBGXSSMSYWOB-CHWSQXEVSA-N 0 0 188.270 2.487 10 0 AEAERN CC(=O)CN(C)c1ccccc1Cl 259097312 573411891 /nfs/dbraw/zinc/41/18/91/573411891.db2.gz AEKLQVADKYWMFT-UHFFFAOYSA-N 0 0 197.665 2.365 10 0 AEAERN CC(C)[C@@H]1CCC[C@@H](C)[C@@H]1O 118598175 573411908 /nfs/dbraw/zinc/41/19/08/573411908.db2.gz KTRHVNBFOIHTDQ-UTLUCORTSA-N 0 0 156.269 2.440 10 0 AEAERN CCCn1nccc1[C@H](O)C1CCC1 83120903 573411915 /nfs/dbraw/zinc/41/19/15/573411915.db2.gz QLMXYGWUEUYYKB-LLVKDONJSA-N 0 0 194.278 2.127 10 0 AEAERN C[C@@H](Cn1cccc1C=O)C1CC1 133584744 573411941 /nfs/dbraw/zinc/41/19/41/573411941.db2.gz GHSMGNZXVMZZTN-VIFPVBQESA-N 0 0 177.247 2.347 10 0 AEAERN Cc1cccc(C)c1[C@@H](C)CO 238382063 573414076 /nfs/dbraw/zinc/41/40/76/573414076.db2.gz TYPBBAIPPBRVIV-JTQLQIEISA-N 0 0 164.248 2.399 10 0 AEAERN CC[C@@H](O)[C@@H]1Cc2ccccc21 83121004 573414580 /nfs/dbraw/zinc/41/45/80/573414580.db2.gz YPOUZFXOJVTKRZ-GHMZBOCLSA-N 0 0 162.232 2.097 10 0 AEAERN C[C@H](CCC1CC1)Nc1cnn(C)c1 308580258 573414416 /nfs/dbraw/zinc/41/44/16/573414416.db2.gz OSWDMEGOTBQVFY-SECBINFHSA-N 0 0 193.294 2.411 10 0 AEAERN CCCc1ccc(C)[nH]1 118625700 573414583 /nfs/dbraw/zinc/41/45/83/573414583.db2.gz VJHOGOXWXLEMQZ-UHFFFAOYSA-N 0 0 123.199 2.276 10 0 AEAERN CC(C)(C)c1ccc(NCO)cc1 258647151 573414511 /nfs/dbraw/zinc/41/45/11/573414511.db2.gz MJGLDGCVVMYBQV-UHFFFAOYSA-N 0 0 179.263 2.346 10 0 AEAERN CO[C@@]1(CC(C)C)CCCC[C@@H]1O 238382094 573413129 /nfs/dbraw/zinc/41/31/29/573413129.db2.gz ZFWLNZKSCVDMRB-WDEREUQCSA-N 0 0 186.295 2.353 10 0 AEAERN CC[C@@H]1CCC[C@@H](C)[C@@H]1O 118612169 573413156 /nfs/dbraw/zinc/41/31/56/573413156.db2.gz CDWPWTLJKFGJLO-HLTSFMKQSA-N 0 0 142.242 2.194 10 0 AEAERN CC(C)CC[C@H](NN)C1(C)CC1 129885081 573413165 /nfs/dbraw/zinc/41/31/65/573413165.db2.gz DAUGBSDVSAMLAJ-VIFPVBQESA-N 0 0 170.300 2.055 10 0 AEAERN Cc1c(C)n(C)c2c(CO)cccc12 118614261 573413307 /nfs/dbraw/zinc/41/33/07/573413307.db2.gz ZIKNMCCCFZESCW-UHFFFAOYSA-N 0 0 189.258 2.287 10 0 AEAERN C/C=C/C(=O)N1CC[C@H](C)C[C@H]1C 83119395 573413357 /nfs/dbraw/zinc/41/33/57/573413357.db2.gz SDFZYXNXKGTQNL-OCIBVNFRSA-N 0 0 181.279 2.210 10 0 AEAERN CC[C@H](CO)c1ccc2c(c1)CCO2 259442075 573413445 /nfs/dbraw/zinc/41/34/45/573413445.db2.gz ZYTHNHJHGDBRDU-SECBINFHSA-N 0 0 192.258 2.107 10 0 AEAERN Fc1cc(Cl)c[nH]c1=S 83119910 573413472 /nfs/dbraw/zinc/41/34/72/573413472.db2.gz NTUTZQJBXWBSEM-UHFFFAOYSA-N 0 0 163.604 2.163 10 0 AEAERN O[C@@H](CC1CC1)[C@@H]1Cc2ccccc21 83121257 573413495 /nfs/dbraw/zinc/41/34/95/573413495.db2.gz FZCBGXSSMSYWOB-OLZOCXBDSA-N 0 0 188.270 2.487 10 0 AEAERN COc1c(C(F)F)ccnc1CF 238381653 573413496 /nfs/dbraw/zinc/41/34/96/573413496.db2.gz RGTQHNVAFGAXNQ-UHFFFAOYSA-N 0 0 191.152 2.497 10 0 AEAERN CCC[C@H](O)[C@@H]1Cc2ccccc21 83121150 573413513 /nfs/dbraw/zinc/41/35/13/573413513.db2.gz ILMWVXXWWGHSLG-NEPJUHHUSA-N 0 0 176.259 2.487 10 0 AEAERN CCC[C@@H](O)[C@H]1Cc2ccccc21 83121155 573413526 /nfs/dbraw/zinc/41/35/26/573413526.db2.gz ILMWVXXWWGHSLG-NWDGAFQWSA-N 0 0 176.259 2.487 10 0 AEAERN CC(=O)c1cc(C)c(C)cc1C=O 258020367 573413532 /nfs/dbraw/zinc/41/35/32/573413532.db2.gz OCMUSBDZRSMCBC-UHFFFAOYSA-N 0 0 176.215 2.319 10 0 AEAERN CCC1(CC)CC(=O)C1 83119384 573413539 /nfs/dbraw/zinc/41/35/39/573413539.db2.gz GJNBYMJQVVJXDC-UHFFFAOYSA-N 0 0 126.199 2.156 10 0 AEAERN CCC[C@@H](O)[C@@H]1Cc2ccccc21 83121151 573413580 /nfs/dbraw/zinc/41/35/80/573413580.db2.gz ILMWVXXWWGHSLG-VXGBXAGGSA-N 0 0 176.259 2.487 10 0 AEAERN O[C@H](c1ccccc1F)C(F)F 83119759 573413614 /nfs/dbraw/zinc/41/36/14/573413614.db2.gz BXVALZSTVIPGEJ-SSDOTTSWSA-N 0 0 176.137 2.124 10 0 AEAERN CCC1(C[C@H](NN)[C@@H]2C[C@@H]2C)CCC1 308577321 573413615 /nfs/dbraw/zinc/41/36/15/573413615.db2.gz NHJTZNBBIQAJID-AXFHLTTASA-N 0 0 196.338 2.445 10 0 AEAERN C[C@@H](CO)[C@H]1CCOc2ccccc21 238381054 573413625 /nfs/dbraw/zinc/41/36/25/573413625.db2.gz LRGJIDQRDPWQCY-VHSXEESVSA-N 0 0 192.258 2.181 10 0 AEAERN Cc1cccc([C@@H](N)C(F)F)c1 83119937 573413633 /nfs/dbraw/zinc/41/36/33/573413633.db2.gz ISFMMPNVXLWLEL-MRVPVSSYSA-N 0 0 171.190 2.260 10 0 AEAERN CCC1(C[C@H](NN)[C@H]2C[C@H]2C)CCC1 308577324 573413644 /nfs/dbraw/zinc/41/36/44/573413644.db2.gz NHJTZNBBIQAJID-VWYCJHECSA-N 0 0 196.338 2.445 10 0 AEAERN COc1nc2ccc(F)cc2s1 238382645 573413654 /nfs/dbraw/zinc/41/36/54/573413654.db2.gz HYYGZXUTTGRRCZ-UHFFFAOYSA-N 0 0 183.207 2.444 10 0 AEAERN COC(C)(C)C[C@@](C)(CO)C1CC1 393632117 573413670 /nfs/dbraw/zinc/41/36/70/573413670.db2.gz KAFCPJXFATXJSI-NSHDSACASA-N 0 0 186.295 2.210 10 0 AEAERN CC(C)(C)[C@H](O)C1CCC1 83120867 573413701 /nfs/dbraw/zinc/41/37/01/573413701.db2.gz AQLYGUNBNXPLTD-MRVPVSSYSA-N 0 0 142.242 2.194 10 0 AEAERN CO[C@H](C)c1cccc(O)c1 259442763 573413710 /nfs/dbraw/zinc/41/37/10/573413710.db2.gz UWFHBDUEWKCMIV-SSDOTTSWSA-N 0 0 152.193 2.100 10 0 AEAERN CCC(=O)[C@@H]1Cc2ccccc21 83120340 573413711 /nfs/dbraw/zinc/41/37/11/573413711.db2.gz VQAUJYGPGJNIMC-SNVBAGLBSA-N 0 0 160.216 2.305 10 0 AEAERN Cc1ccc([C@H](O)C2CCC2)cn1 83120621 573413720 /nfs/dbraw/zinc/41/37/20/573413720.db2.gz GVTURKQJRCKTMP-LLVKDONJSA-N 0 0 177.247 2.224 10 0 AEAERN O[C@H](C1CC1)[C@@H]1Cc2ccccc21 83121087 573413771 /nfs/dbraw/zinc/41/37/71/573413771.db2.gz DYDGTZNWLWUJMA-VXGBXAGGSA-N 0 0 174.243 2.097 10 0 AEAERN Cc1cccn2c(C)cc(CO)c12 118613236 573413822 /nfs/dbraw/zinc/41/38/22/573413822.db2.gz BTEAPJIRXKUBSS-UHFFFAOYSA-N 0 0 175.231 2.048 10 0 AEAERN O=C1OCC[C@H]1C1CCCCC1 118584264 573414593 /nfs/dbraw/zinc/41/45/93/573414593.db2.gz BBDUBWZEVHPKHW-VIFPVBQESA-N 0 0 168.236 2.130 10 0 AEAERN C[C@H](CCCO)OCc1ccccc1 118585765 573413844 /nfs/dbraw/zinc/41/38/44/573413844.db2.gz FHGCEXHUJYMHOT-LLVKDONJSA-N 0 0 194.274 2.364 10 0 AEAERN CC[C@H](O)[C@@H]1Cc2ccccc21 83121002 573413887 /nfs/dbraw/zinc/41/38/87/573413887.db2.gz YPOUZFXOJVTKRZ-MNOVXSKESA-N 0 0 162.232 2.097 10 0 AEAERN Fc1ccc(NCc2ccc[nH]2)cn1 236215931 573413892 /nfs/dbraw/zinc/41/38/92/573413892.db2.gz UXHOYEUDWQQVMB-UHFFFAOYSA-N 0 0 191.209 2.161 10 0 AEAERN CCON(CC)c1ccccc1 33506716 573413907 /nfs/dbraw/zinc/41/39/07/573413907.db2.gz UBCKKDUHVZNHMG-UHFFFAOYSA-N 0 0 165.236 2.464 10 0 AEAERN C/C=C/C(=O)N1CC[C@H](C)C[C@@H]1C 83119393 573413916 /nfs/dbraw/zinc/41/39/16/573413916.db2.gz SDFZYXNXKGTQNL-AWAZDUCLSA-N 0 0 181.279 2.210 10 0 AEAERN O=C(C1CC1)[C@H]1Cc2ccccc21 83120466 573413921 /nfs/dbraw/zinc/41/39/21/573413921.db2.gz RYUHKDMJJIBLSS-NSHDSACASA-N 0 0 172.227 2.305 10 0 AEAERN O=C(c1ccoc1)C1CCC1 83120244 573413930 /nfs/dbraw/zinc/41/39/30/573413930.db2.gz CUQPZFPOIBFILN-UHFFFAOYSA-N 0 0 150.177 2.262 10 0 AEAERN Cc1cc(O)cc(C)c1CC[C@@H](C)O 238381706 573413941 /nfs/dbraw/zinc/41/39/41/573413941.db2.gz FDAWLEFORNASFA-SNVBAGLBSA-N 0 0 194.274 2.322 10 0 AEAERN O[C@@H](c1ccccc1F)C(F)F 83119758 573413962 /nfs/dbraw/zinc/41/39/62/573413962.db2.gz BXVALZSTVIPGEJ-ZETCQYMHSA-N 0 0 176.137 2.124 10 0 AEAERN CC(C)CC(=O)C1CCC1 83120248 573413988 /nfs/dbraw/zinc/41/39/88/573413988.db2.gz LQGZTUIDBJSLDO-UHFFFAOYSA-N 0 0 140.226 2.402 10 0 AEAERN C[C@@H](CO)[C@@]1(C)C=CCCC1 238381591 573414027 /nfs/dbraw/zinc/41/40/27/573414027.db2.gz GEKPFFCPFRXVKX-UWVGGRQHSA-N 0 0 154.253 2.361 10 0 AEAERN C=Cc1nc([C@H]2Cc3ccccc32)no1 83119981 573414040 /nfs/dbraw/zinc/41/40/40/573414040.db2.gz CECHTYZLTCJQSL-JTQLQIEISA-N 0 0 198.225 2.401 10 0 AEAERN CC(C)C[C@H](O)C1CCC1 83120614 573414044 /nfs/dbraw/zinc/41/40/44/573414044.db2.gz IGCZBVQWBHRTJK-VIFPVBQESA-N 0 0 142.242 2.194 10 0 AEAERN CC(C)[C@@H](O)[C@@H]1Cc2ccccc21 83121066 573414050 /nfs/dbraw/zinc/41/40/50/573414050.db2.gz CBUVYZWGWVFSNA-VXGBXAGGSA-N 0 0 176.259 2.343 10 0 AEAERN CC(C)[C@@H]1CCC[C@H](C)[C@@H]1O 118598179 573414060 /nfs/dbraw/zinc/41/40/60/573414060.db2.gz KTRHVNBFOIHTDQ-GUBZILKMSA-N 0 0 156.269 2.440 10 0 AEAERN CCC1(C[C@H](NN)[C@@H]2C[C@H]2C)CCC1 308577323 573414062 /nfs/dbraw/zinc/41/40/62/573414062.db2.gz NHJTZNBBIQAJID-MXWKQRLJSA-N 0 0 196.338 2.445 10 0 AEAERN O[C@H](c1cncc(F)c1)C1CCC1 83120751 573414110 /nfs/dbraw/zinc/41/41/10/573414110.db2.gz ZACKZIMGOKBZBP-JTQLQIEISA-N 0 0 181.210 2.054 10 0 AEAERN COc1ccc(O)cc1C(=O)C(C)C 238382048 573414128 /nfs/dbraw/zinc/41/41/28/573414128.db2.gz CWQSDQWOCJNAQR-UHFFFAOYSA-N 0 0 194.230 2.240 10 0 AEAERN CC(C)[C@@H](O)[C@H]1Cc2ccccc21 83121071 573414140 /nfs/dbraw/zinc/41/41/40/573414140.db2.gz CBUVYZWGWVFSNA-NWDGAFQWSA-N 0 0 176.259 2.343 10 0 AEAERN CCCC[C@@H](O)C1CCC1 83120703 573414157 /nfs/dbraw/zinc/41/41/57/573414157.db2.gz LSVQJZXLPQTWBT-SECBINFHSA-N 0 0 142.242 2.338 10 0 AEAERN CC(=O)CCCC[C@@H](C)F 238381033 573414166 /nfs/dbraw/zinc/41/41/66/573414166.db2.gz HGJGEESLXXLDRG-SSDOTTSWSA-N 0 0 146.205 2.494 10 0 AEAERN COc1ccnc(C(F)F)c1C 238382594 573414171 /nfs/dbraw/zinc/41/41/71/573414171.db2.gz YGRIPCWKJQGKNQ-UHFFFAOYSA-N 0 0 173.162 2.336 10 0 AEAERN Cc1cc2c(CO)cccn2c1C 118619229 573414193 /nfs/dbraw/zinc/41/41/93/573414193.db2.gz KFOYDWPMJHXYMP-UHFFFAOYSA-N 0 0 175.231 2.048 10 0 AEAERN C[C@@H](O)CCc1cccc2[nH]ccc12 238382100 573414232 /nfs/dbraw/zinc/41/42/32/573414232.db2.gz WJBXCIYOCSBZAG-SECBINFHSA-N 0 0 189.258 2.481 10 0 AEAERN CC(C)CC[C@@H](NN)c1cscn1 129926626 573414251 /nfs/dbraw/zinc/41/42/51/573414251.db2.gz QRRRXIRCWHOMAA-MRVPVSSYSA-N 0 0 199.323 2.084 10 0 AEAERN CC(C)CC[C@H](NN)c1cscn1 129926430 573414304 /nfs/dbraw/zinc/41/43/04/573414304.db2.gz QRRRXIRCWHOMAA-QMMMGPOBSA-N 0 0 199.323 2.084 10 0 AEAERN CN(C(=O)C(C)(C)C)c1cccnc1 74915575 573414334 /nfs/dbraw/zinc/41/43/34/573414334.db2.gz GCLPUYWTGAZBNN-UHFFFAOYSA-N 0 0 192.262 2.091 10 0 AEAERN CC(C)[C@H](O)[C@H]1Cc2ccccc21 83121068 573414340 /nfs/dbraw/zinc/41/43/40/573414340.db2.gz CBUVYZWGWVFSNA-RYUDHWBXSA-N 0 0 176.259 2.343 10 0 AEAERN O[C@@H](C1CCCC1)C1CCC1 83120596 573414362 /nfs/dbraw/zinc/41/43/62/573414362.db2.gz NIXOUJGYAMKNCN-JTQLQIEISA-N 0 0 154.253 2.338 10 0 AEAERN O[C@@H](C1CC1)[C@H]1Cc2ccccc21 83121090 573414422 /nfs/dbraw/zinc/41/44/22/573414422.db2.gz DYDGTZNWLWUJMA-RYUDHWBXSA-N 0 0 174.243 2.097 10 0 AEAERN CCC(C)(C)[C@@H](C)[C@H](C)O 642831910 573415064 /nfs/dbraw/zinc/41/50/64/573415064.db2.gz IWHWNYXHSXCKSS-YUMQZZPRSA-N 0 0 144.258 2.440 10 0 AEAERN CS[C@@H](C)[C@@H](O)c1ccccc1 238384232 573415022 /nfs/dbraw/zinc/41/50/22/573415022.db2.gz BAIKTCDWPJOCEP-WCBMZHEXSA-N 0 0 182.288 2.472 10 0 AEAERN Cc1cc([C@@H](O)Cc2ccco2)co1 124307384 573415031 /nfs/dbraw/zinc/41/50/31/573415031.db2.gz NAMVJAKUSMBFMO-NSHDSACASA-N 0 0 192.214 2.457 10 0 AEAERN C[C@H](OC(=O)C1CC1)c1nccs1 308387116 573415094 /nfs/dbraw/zinc/41/50/94/573415094.db2.gz VMONAAIKLBINOP-LURJTMIESA-N 0 0 197.259 2.157 10 0 AEAERN O[C@H](CC1CC1)[C@H]1Cc2ccccc21 83121250 573415109 /nfs/dbraw/zinc/41/51/09/573415109.db2.gz FZCBGXSSMSYWOB-QWHCGFSZSA-N 0 0 188.270 2.487 10 0 AEAERN Cc1cccn2c(C)cc(C=O)c12 118613965 573415127 /nfs/dbraw/zinc/41/51/27/573415127.db2.gz FQLJOYKZJRFUQK-UHFFFAOYSA-N 0 0 173.215 2.369 10 0 AEAERN O[C@H](C1CC1)[C@H]1Cc2ccccc21 83121085 573415134 /nfs/dbraw/zinc/41/51/34/573415134.db2.gz DYDGTZNWLWUJMA-NWDGAFQWSA-N 0 0 174.243 2.097 10 0 AEAERN COc1ccc(O)cc1-n1cccc1 238383391 573415218 /nfs/dbraw/zinc/41/52/18/573415218.db2.gz XZYODMMYYOQVGT-UHFFFAOYSA-N 0 0 189.214 2.192 10 0 AEAERN CC(C)c1cc(=O)[nH]c(C2CCC2)n1 83120181 573415242 /nfs/dbraw/zinc/41/52/42/573415242.db2.gz QHYPYRMDJKBFTK-UHFFFAOYSA-N 0 0 192.262 2.161 10 0 AEAERN CC[C@H](O)[C@H]1Cc2ccccc21 83121005 573415262 /nfs/dbraw/zinc/41/52/62/573415262.db2.gz YPOUZFXOJVTKRZ-QWRGUYRKSA-N 0 0 162.232 2.097 10 0 AEAERN COc1ccc([C@]2(C)CC[C@@H]2O)cc1 238384471 573415263 /nfs/dbraw/zinc/41/52/63/573415263.db2.gz SXVNCBZZKFVNLP-RYUDHWBXSA-N 0 0 192.258 2.108 10 0 AEAERN COc1cc(C)nc(C(F)F)c1 238383493 573415274 /nfs/dbraw/zinc/41/52/74/573415274.db2.gz UUKCVPBDOORZTQ-UHFFFAOYSA-N 0 0 173.162 2.336 10 0 AEAERN O[C@@H](c1ccoc1)C1CCC1 83120900 573415282 /nfs/dbraw/zinc/41/52/82/573415282.db2.gz SNTSUXWRYKCXAR-SECBINFHSA-N 0 0 152.193 2.113 10 0 AEAERN COc1cc(C)nc(C(F)F)c1F 238383816 573415321 /nfs/dbraw/zinc/41/53/21/573415321.db2.gz VYAGMLCRVFIOLQ-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN CC[C@@H](O)[C@H]1Cc2ccccc21 83121007 573415337 /nfs/dbraw/zinc/41/53/37/573415337.db2.gz YPOUZFXOJVTKRZ-WDEREUQCSA-N 0 0 162.232 2.097 10 0 AEAERN Fc1cccc(Cc2cccnn2)c1 259443560 573415382 /nfs/dbraw/zinc/41/53/82/573415382.db2.gz LVTIOSQXNWYDON-UHFFFAOYSA-N 0 0 188.205 2.207 10 0 AEAERN COC[C@H]1CCCC(C)(C)C1=O 238382874 573415402 /nfs/dbraw/zinc/41/54/02/573415402.db2.gz PNQGOEHNSBLOTH-MRVPVSSYSA-N 0 0 170.252 2.028 10 0 AEAERN Cc1cccc2cc(CO)oc12 83119379 573415411 /nfs/dbraw/zinc/41/54/11/573415411.db2.gz OTFFIWLEKRDWDE-UHFFFAOYSA-N 0 0 162.188 2.234 10 0 AEAERN CS[C@@H](C)[C@H](O)c1ccccc1 238384398 573415425 /nfs/dbraw/zinc/41/54/25/573415425.db2.gz BAIKTCDWPJOCEP-WPRPVWTQSA-N 0 0 182.288 2.472 10 0 AEAERN Cc1nnc(Cl)c2ccc(O)cc12 118607310 573415439 /nfs/dbraw/zinc/41/54/39/573415439.db2.gz NVRTZOUAYODFRQ-UHFFFAOYSA-N 0 0 194.621 2.297 10 0 AEAERN Cc1ccc(C(C)(C)O)cc1[C@@H](C)O 238383548 573415461 /nfs/dbraw/zinc/41/54/61/573415461.db2.gz AGVVHBWJQZPIPE-SECBINFHSA-N 0 0 194.274 2.276 10 0 AEAERN Cc1ccc(C(=O)C2CCC2)cn1 83120265 573415467 /nfs/dbraw/zinc/41/54/67/573415467.db2.gz HXSRZLHMFLHVDZ-UHFFFAOYSA-N 0 0 175.231 2.373 10 0 AEAERN COCCC(=O)C(C1CC1)C1CC1 686243392 573415560 /nfs/dbraw/zinc/41/55/60/573415560.db2.gz MYGJGCXOUBDCPS-UHFFFAOYSA-N 0 0 182.263 2.028 10 0 AEAERN COc1ccnc(C)c1C(F)F 238383408 573415600 /nfs/dbraw/zinc/41/56/00/573415600.db2.gz BTSJWWWKKHNJMW-UHFFFAOYSA-N 0 0 173.162 2.336 10 0 AEAERN Cc1cn2ccc3ncc(C)c-3c2[nH]1 118624000 573415666 /nfs/dbraw/zinc/41/56/66/573415666.db2.gz FECTULAMKTZFTJ-UHFFFAOYSA-N 0 0 185.230 2.432 10 0 AEAERN Cc1ccccc1-c1coc(C=O)n1 257810713 573415764 /nfs/dbraw/zinc/41/57/64/573415764.db2.gz AQDMZOXKPCGIMT-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN CCCC[C@@H](O)c1ccncc1F 133538663 573415774 /nfs/dbraw/zinc/41/57/74/573415774.db2.gz WYYXFBFNQYRXRO-SNVBAGLBSA-N 0 0 183.226 2.444 10 0 AEAERN CC(C)(C)Cc1cc(Cl)c(N)nn1 259443538 573415807 /nfs/dbraw/zinc/41/58/07/573415807.db2.gz LUTJLLPXQUWVMK-UHFFFAOYSA-N 0 0 199.685 2.301 10 0 AEAERN Clc1ccc([C@@H]2CCON2)cc1 257810719 573416017 /nfs/dbraw/zinc/41/60/17/573416017.db2.gz AQMKPAVCSYKKHB-VIFPVBQESA-N 0 0 183.638 2.306 10 0 AEAERN C[C@@H](O)c1cnc(C2CCC2)s1 83123585 573416093 /nfs/dbraw/zinc/41/60/93/573416093.db2.gz XHUIPYCHKMUWPF-ZCFIWIBFSA-N 0 0 183.276 2.464 10 0 AEAERN COc1cc(C)[nH]c(=O)c1C(F)F 238384523 573417235 /nfs/dbraw/zinc/41/72/35/573417235.db2.gz ODQRLBRDONDYCB-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN C[C@H](Cn1cccc1C=O)C1CC1 133584929 573417240 /nfs/dbraw/zinc/41/72/40/573417240.db2.gz GHSMGNZXVMZZTN-SECBINFHSA-N 0 0 177.247 2.347 10 0 AEAERN Cc1cnc(Cl)c([C@@H](C)O)c1 238384146 573418536 /nfs/dbraw/zinc/41/85/36/573418536.db2.gz NQXLXUBREGGYTD-ZCFIWIBFSA-N 0 0 171.627 2.097 10 0 AEAERN C[C@@H](OC(=O)C1CC1)c1nccs1 308387452 573418112 /nfs/dbraw/zinc/41/81/12/573418112.db2.gz VMONAAIKLBINOP-ZCFIWIBFSA-N 0 0 197.259 2.157 10 0 AEAERN Cc1cc(C(C)(C)O)cc(N)c1C 259443651 573418113 /nfs/dbraw/zinc/41/81/13/573418113.db2.gz LWJZQGSAYQOPMP-UHFFFAOYSA-N 0 0 179.263 2.113 10 0 AEAERN C[C@H](O)c1csc(C2CCC2)n1 83123595 573418115 /nfs/dbraw/zinc/41/81/15/573418115.db2.gz NBDDMDWERWTSDY-LURJTMIESA-N 0 0 183.276 2.464 10 0 AEAERN CO[C@@H](CO)c1ccccc1Cl 238383774 573418126 /nfs/dbraw/zinc/41/81/26/573418126.db2.gz URRBANXAPQQBGZ-VIFPVBQESA-N 0 0 186.638 2.020 10 0 AEAERN Cc1ccccc1[C@H]1CC[C@H]1CO 257810708 573418203 /nfs/dbraw/zinc/41/82/03/573418203.db2.gz AQBDKDRESDDNDQ-JQWIXIFHSA-N 0 0 176.259 2.481 10 0 AEAERN CSC[C@H](CO)c1cccs1 258336429 573418242 /nfs/dbraw/zinc/41/82/42/573418242.db2.gz YXMWMLZBJRCSPL-ZETCQYMHSA-N 0 0 188.317 2.187 10 0 AEAERN CCCc1cc(N)nc(C2CCC2)n1 83123644 573418260 /nfs/dbraw/zinc/41/82/60/573418260.db2.gz JERRAVPKFCFASL-UHFFFAOYSA-N 0 0 191.278 2.279 10 0 AEAERN COc1cc(C)nc(C(F)F)c1O 238383910 573418267 /nfs/dbraw/zinc/41/82/67/573418267.db2.gz VIQPDYRLQRDDOY-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN C[C@H]1C[C@H](C)CC[C@@]1(C)O 118696968 573418276 /nfs/dbraw/zinc/41/82/76/573418276.db2.gz BLIVXFHENZWBRV-HRDYMLBCSA-N 0 0 142.242 2.194 10 0 AEAERN NOCc1cc2cccc(Cl)c2[nH]1 258334579 573418303 /nfs/dbraw/zinc/41/83/03/573418303.db2.gz XJXXERRXERTKLY-UHFFFAOYSA-N 0 0 196.637 2.212 10 0 AEAERN C[C@H](O)c1cnc(C2CCC2)s1 83123583 573418317 /nfs/dbraw/zinc/41/83/17/573418317.db2.gz XHUIPYCHKMUWPF-LURJTMIESA-N 0 0 183.276 2.464 10 0 AEAERN CC[C@@H](C)Cn1nc(C)c(C=O)c1C 50427186 573418318 /nfs/dbraw/zinc/41/83/18/573418318.db2.gz LZQZPEUJLPAXCU-MRVPVSSYSA-N 0 0 194.278 2.359 10 0 AEAERN Clc1ccc([C@H]2CCON2)cc1 257810718 573418370 /nfs/dbraw/zinc/41/83/70/573418370.db2.gz AQMKPAVCSYKKHB-SECBINFHSA-N 0 0 183.638 2.306 10 0 AEAERN OCC/C=C\C[C@@H]1CCCSC1 258338726 573418396 /nfs/dbraw/zinc/41/83/96/573418396.db2.gz XPHOYXBDQYFQKT-JWXWKVPASA-N 0 0 186.320 2.458 10 0 AEAERN COc1ccc(F)c(C)c1C1(O)CC1 258019117 573418483 /nfs/dbraw/zinc/41/84/83/573418483.db2.gz IADZSRIAAFTPFN-UHFFFAOYSA-N 0 0 196.221 2.124 10 0 AEAERN O=C1Cc2ccc(Br)cc21 118742650 573418498 /nfs/dbraw/zinc/41/84/98/573418498.db2.gz SIBAIBBXJAOUAE-UHFFFAOYSA-N 0 0 197.031 2.188 10 0 AEAERN Cc1nc(C2CCC2)sc1C[NH3+] 83136345 573418515 /nfs/dbraw/zinc/41/85/15/573418515.db2.gz UHFGTIKNTUVEKL-UHFFFAOYSA-N 0 0 182.292 2.178 10 0 AEAERN COc1cnn(-c2ccccc2F)c1 258338975 573420208 /nfs/dbraw/zinc/42/02/08/573420208.db2.gz DZNQNZOUDLGGPD-UHFFFAOYSA-N 0 0 192.193 2.020 10 0 AEAERN COc1cnc(C(F)F)c(OC)c1 238399367 573420214 /nfs/dbraw/zinc/42/02/14/573420214.db2.gz USWMTIGGNPMPRT-UHFFFAOYSA-N 0 0 189.161 2.036 10 0 AEAERN Nc1ccc2cc(C=O)ccc2c1 118691212 573420261 /nfs/dbraw/zinc/42/02/61/573420261.db2.gz LGFHVYAHARQQAM-UHFFFAOYSA-N 0 0 171.199 2.235 10 0 AEAERN OCC/C=C\[C@H]1CCCCS1 258026297 573420191 /nfs/dbraw/zinc/42/01/91/573420191.db2.gz BTVYJCULZLNHST-RKANRPJGSA-N 0 0 172.293 2.211 10 0 AEAERN Clc1nc(-c2ccccn2)c[nH]1 258648231 573420181 /nfs/dbraw/zinc/42/01/81/573420181.db2.gz WPOOVWMGNZKKKY-UHFFFAOYSA-N 0 0 179.610 2.125 10 0 AEAERN COc1ccc2oc(C)c(CO)c2c1 238385108 573421345 /nfs/dbraw/zinc/42/13/45/573421345.db2.gz KMBABAMIQGHNSV-UHFFFAOYSA-N 0 0 192.214 2.242 10 0 AEAERN c1ncc(-c2ccc3c(c2)NCC3)cn1 126188949 573421130 /nfs/dbraw/zinc/42/11/30/573421130.db2.gz GJRWDLBNGOFSFX-UHFFFAOYSA-N 0 0 197.241 2.112 10 0 AEAERN Cc1ccc(/C=C(/CO)C(C)C)cn1 308381526 573421156 /nfs/dbraw/zinc/42/11/56/573421156.db2.gz VDEMUZMESNKAST-SDQBBNPISA-N 0 0 191.274 2.422 10 0 AEAERN COc1cc(N=O)c(C)cc1O 238385215 573421228 /nfs/dbraw/zinc/42/12/28/573421228.db2.gz JNFBHRJEPFRIBP-UHFFFAOYSA-N 0 0 167.164 2.107 10 0 AEAERN Cc1noc2ccc([C@H](C)O)cc12 258026655 573421235 /nfs/dbraw/zinc/42/12/35/573421235.db2.gz OPCRTYJQNKAGEX-ZETCQYMHSA-N 0 0 177.203 2.190 10 0 AEAERN C[C@@H](Nc1cn[nH]c1)c1nccs1 83142665 573421245 /nfs/dbraw/zinc/42/12/45/573421245.db2.gz PCHJWKJFSQMTES-ZCFIWIBFSA-N 0 0 194.263 2.039 10 0 AEAERN CC[C@@H](C)COc1cccnc1N 50423254 573421264 /nfs/dbraw/zinc/42/12/64/573421264.db2.gz NVKCXYIGWBLOJL-MRVPVSSYSA-N 0 0 180.251 2.089 10 0 AEAERN CC(C)(O)CCc1ccc(C=O)cc1 259444260 573421287 /nfs/dbraw/zinc/42/12/87/573421287.db2.gz PFDGFRDJWRFCCQ-UHFFFAOYSA-N 0 0 192.258 2.203 10 0 AEAERN COCc1coc2c(O)cccc12 258023937 573422764 /nfs/dbraw/zinc/42/27/64/573422764.db2.gz MLEOPGSSJFRAIV-UHFFFAOYSA-N 0 0 178.187 2.285 10 0 AEAERN CC[C@@H](C)C[C@@H](C)[C@@H](C)O 50428135 573422773 /nfs/dbraw/zinc/42/27/73/573422773.db2.gz CGRIEYNIJQGHBV-IWSPIJDZSA-N 0 0 144.258 2.440 10 0 AEAERN C[C@@H](O)c1ccc([C@H]2CCOC2)cc1 258024714 573422207 /nfs/dbraw/zinc/42/22/07/573422207.db2.gz INOGSULMZOTAGB-SKDRFNHKSA-N 0 0 192.258 2.244 10 0 AEAERN CSCCCC(=O)OC1CCC1 78068116 573422212 /nfs/dbraw/zinc/42/22/12/573422212.db2.gz PFQFEEHCSVACHC-UHFFFAOYSA-N 0 0 188.292 2.225 10 0 AEAERN CC/C=C/CC1=CCC[C@H]1O 118712557 573422225 /nfs/dbraw/zinc/42/22/25/573422225.db2.gz FHBBWRVPXQCHKN-HMDXOVGESA-N 0 0 152.237 2.424 10 0 AEAERN C[C@@H](OC(=O)C1CC1)c1ccco1 308382214 573422281 /nfs/dbraw/zinc/42/22/81/573422281.db2.gz RCCHKZCLXUFNHT-SSDOTTSWSA-N 0 0 180.203 2.294 10 0 AEAERN Cc1ccc(CC(=O)OC2CC2)s1 308381033 573422351 /nfs/dbraw/zinc/42/23/51/573422351.db2.gz QHLCTQUPDNDILI-UHFFFAOYSA-N 0 0 196.271 2.305 10 0 AEAERN Cc1ccc([C@@H](C)N(C)C=O)cc1 83145010 573422375 /nfs/dbraw/zinc/42/23/75/573422375.db2.gz UFCISXGRJVSGIF-SNVBAGLBSA-N 0 0 177.247 2.144 10 0 AEAERN CC(C)NC(=O)N1[C@@H](C)CCC[C@@H]1C 74921442 573422465 /nfs/dbraw/zinc/42/24/65/573422465.db2.gz DBSUOKLHPYRUPZ-UWVGGRQHSA-N 0 0 198.310 2.367 10 0 AEAERN N[C@@H](c1ccccc1F)C(F)F 83137885 573422524 /nfs/dbraw/zinc/42/25/24/573422524.db2.gz CRDSAOGZECRBBD-ZETCQYMHSA-N 0 0 175.153 2.091 10 0 AEAERN O=NN1CCSc2ccccc21 118723350 573422541 /nfs/dbraw/zinc/42/25/41/573422541.db2.gz HCBPLQLVKWGDGI-UHFFFAOYSA-N 0 0 180.232 2.280 10 0 AEAERN Cc1ccc([C@H](C)N(C)C=O)cc1 83145011 573422662 /nfs/dbraw/zinc/42/26/62/573422662.db2.gz UFCISXGRJVSGIF-JTQLQIEISA-N 0 0 177.247 2.144 10 0 AEAERN Cc1cccc([C@H](O)C(F)F)c1 83138197 573422847 /nfs/dbraw/zinc/42/28/47/573422847.db2.gz ACRUEHRYBPHGJM-QMMMGPOBSA-N 0 0 172.174 2.294 10 0 AEAERN CC[C@H](C)COc1cccnc1N 50423256 573422743 /nfs/dbraw/zinc/42/27/43/573422743.db2.gz NVKCXYIGWBLOJL-QMMMGPOBSA-N 0 0 180.251 2.089 10 0 AEAERN Oc1ccc(Cl)c(CC2(O)CC2)c1 258019528 573422918 /nfs/dbraw/zinc/42/29/18/573422918.db2.gz DKWACRQNPOLQBF-UHFFFAOYSA-N 0 0 198.649 2.113 10 0 AEAERN CS[C@]1(C)C(=O)CC[C@H]1C 238391246 573422995 /nfs/dbraw/zinc/42/29/95/573422995.db2.gz JKERZQGQDIWLBZ-SVRRBLITSA-N 0 0 158.266 2.107 10 0 AEAERN O=Cc1nc(-c2nccs2)cs1 83142908 573423020 /nfs/dbraw/zinc/42/30/20/573423020.db2.gz HFFAJZDSDCTAOI-UHFFFAOYSA-N 0 0 196.256 2.079 10 0 AEAERN C/C=C\CCNC(=O)N1CCCCC1 308382106 573423022 /nfs/dbraw/zinc/42/30/22/573423022.db2.gz WPNDMVRARVGBPK-IHWYPQMZSA-N 0 0 196.294 2.148 10 0 AEAERN C[C@H]1[C@H](C)[C@@H](C)C(=O)[C@@H]1C 118695442 573423061 /nfs/dbraw/zinc/42/30/61/573423061.db2.gz CMLJQZJBJPNNFR-RULNZFCNSA-N 0 0 140.226 2.114 10 0 AEAERN C[C@@H](c1ccccc1Cl)N(C)C=O 83145012 573423081 /nfs/dbraw/zinc/42/30/81/573423081.db2.gz AZDHAATYPONEGA-QMMMGPOBSA-N 0 0 197.665 2.489 10 0 AEAERN COC(=O)c1ccc(F)c2ccoc12 238390625 573426078 /nfs/dbraw/zinc/42/60/78/573426078.db2.gz ULKBDKWYVMHGCX-UHFFFAOYSA-N 0 0 194.161 2.359 10 0 AEAERN Cc1cc([C@H](C)NC=O)c(C)s1 83145401 573426210 /nfs/dbraw/zinc/42/62/10/573426210.db2.gz JDADRSQMELEYGM-ZETCQYMHSA-N 0 0 183.276 2.172 10 0 AEAERN CC(C)[C@H]1CC[C@H](C)C[C@H]1NC=O 83145137 573426256 /nfs/dbraw/zinc/42/62/56/573426256.db2.gz RLPOXBHXSSVURP-HBNTYKKESA-N 0 0 183.295 2.193 10 0 AEAERN OC[C@@H]1CC[C@@H]1c1ccc(F)cc1 257811630 573425469 /nfs/dbraw/zinc/42/54/69/573425469.db2.gz BFIGRKCTYLXOMQ-GXSJLCMTSA-N 0 0 180.222 2.312 10 0 AEAERN O[C@@H](c1cccs1)C(F)F 83141773 573425414 /nfs/dbraw/zinc/42/54/14/573425414.db2.gz WEBXHOCUSCSVKV-YFKPBYRVSA-N 0 0 164.176 2.047 10 0 AEAERN COc1cc(O)c(C)nc1C(F)F 238390409 573425459 /nfs/dbraw/zinc/42/54/59/573425459.db2.gz APQLNMSIMCFHNE-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN Cc1ccccc1[C@H](N)C(F)F 83137765 573425501 /nfs/dbraw/zinc/42/55/01/573425501.db2.gz XCKSMICXPVPDTI-QMMMGPOBSA-N 0 0 171.190 2.260 10 0 AEAERN CC(=O)[C@@H](C)c1nc(C2CCC2)no1 83136959 573425511 /nfs/dbraw/zinc/42/55/11/573425511.db2.gz FZHPIMCAQXXFSP-ZCFIWIBFSA-N 0 0 194.234 2.030 10 0 AEAERN C=CO[C@H](C)C(C)C 78318169 573425601 /nfs/dbraw/zinc/42/56/01/573425601.db2.gz FTHQFVMSQQIXHI-SSDOTTSWSA-N 0 0 114.188 2.191 10 0 AEAERN C/C=C/CCNC(=O)/C(C)=C\CC 308389296 573425662 /nfs/dbraw/zinc/42/56/62/573425662.db2.gz YTKBGKDIYQZCRA-VFAAGJRPSA-N 0 0 181.279 2.425 10 0 AEAERN C[C@@H]1C(=O)CO[C@@]1(C)C(C)(C)C 238390414 573425686 /nfs/dbraw/zinc/42/56/86/573425686.db2.gz SQOBNGGKOIOCMQ-GMSGAONNSA-N 0 0 170.252 2.027 10 0 AEAERN C=C=C[C@H](O)c1cccc(OC)c1 238390307 573425719 /nfs/dbraw/zinc/42/57/19/573425719.db2.gz NVMCBZQGVSJBFV-NSHDSACASA-N 0 0 176.215 2.070 10 0 AEAERN C[C@@H]1C(=O)CO[C@]1(C)C(C)(C)C 238390430 573425732 /nfs/dbraw/zinc/42/57/32/573425732.db2.gz SQOBNGGKOIOCMQ-XCBNKYQSSA-N 0 0 170.252 2.027 10 0 AEAERN O[C@@H](c1cccc(F)c1)C(F)F 83137690 573425760 /nfs/dbraw/zinc/42/57/60/573425760.db2.gz JITQZNNRSBAUCR-ZETCQYMHSA-N 0 0 176.137 2.124 10 0 AEAERN OCC[C@@H]1CCCc2cccc(O)c21 257811513 573425784 /nfs/dbraw/zinc/42/57/84/573425784.db2.gz BEGKTRMNXXAITK-JTQLQIEISA-N 0 0 192.258 2.195 10 0 AEAERN C[C@@H]1C(=O)CCc2sccc21 238390317 573425827 /nfs/dbraw/zinc/42/58/27/573425827.db2.gz OFBCSPMZSYRTFQ-LURJTMIESA-N 0 0 166.245 2.367 10 0 AEAERN Cc1ccccc1[C@@H]1CC(C=O)=NO1 257811322 573425843 /nfs/dbraw/zinc/42/58/43/573425843.db2.gz BDWQYMNEOIVOFS-NSHDSACASA-N 0 0 189.214 2.011 10 0 AEAERN CC(C)Cc1nc(C[C@H](C)O)cs1 258029317 573425847 /nfs/dbraw/zinc/42/58/47/573425847.db2.gz JXULQKNVPVKDJW-QMMMGPOBSA-N 0 0 199.319 2.265 10 0 AEAERN C[C@@H]1C(=O)CCc2cccc(O)c21 238390276 573425980 /nfs/dbraw/zinc/42/59/80/573425980.db2.gz ZJSGIHGIUMDPOE-SSDOTTSWSA-N 0 0 176.215 2.011 10 0 AEAERN C(=C/c1ccco1)\c1ncc[nH]1 144117393 573425983 /nfs/dbraw/zinc/42/59/83/573425983.db2.gz DGEKPKMBAOZBGJ-ONEGZZNKSA-N 0 0 160.176 2.173 10 0 AEAERN Cc1[nH]c2c(O)ccc(C)c2c1C=O 257811598 573426008 /nfs/dbraw/zinc/42/60/08/573426008.db2.gz BHVJBNVZAUOFIM-UHFFFAOYSA-N 0 0 189.214 2.303 10 0 AEAERN CCC(OC)(OC)c1ccc(O)cc1 238208537 573426031 /nfs/dbraw/zinc/42/60/31/573426031.db2.gz FBIMFGQGXQNDNP-UHFFFAOYSA-N 0 0 196.246 2.248 10 0 AEAERN CO[C@@H]1CNc2ccc(Cl)cc2C1 257811315 573426067 /nfs/dbraw/zinc/42/60/67/573426067.db2.gz BDLCDKLNVHZPNA-VIFPVBQESA-N 0 0 197.665 2.323 10 0 AEAERN CC(=O)[C@H]1CN(C)c2cccc(C)c21 258028955 573428893 /nfs/dbraw/zinc/42/88/93/573428893.db2.gz DOEVSQOHATWOGP-SNVBAGLBSA-N 0 0 189.258 2.117 10 0 AEAERN Cc1ccc([C@H](C)N(C)C=O)s1 83145245 573428904 /nfs/dbraw/zinc/42/89/04/573428904.db2.gz OKOGIPIYUNYWFC-QMMMGPOBSA-N 0 0 183.276 2.206 10 0 AEAERN CC(=O)CC1Cc2ccccc2C1 144181522 573428913 /nfs/dbraw/zinc/42/89/13/573428913.db2.gz LGVRUTIXLOSCQY-UHFFFAOYSA-N 0 0 174.243 2.381 10 0 AEAERN CCON[C@H](C)c1cccc(OC)c1 133761868 573429158 /nfs/dbraw/zinc/42/91/58/573429158.db2.gz MPTNBFJVWYOERT-SECBINFHSA-N 0 0 195.262 2.297 10 0 AEAERN CSc1ccc([C@H](C)NC=O)cc1 83145280 573429159 /nfs/dbraw/zinc/42/91/59/573429159.db2.gz FOZPYIPYAKZVPF-QMMMGPOBSA-N 0 0 195.287 2.216 10 0 AEAERN CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC=O 83145139 573428959 /nfs/dbraw/zinc/42/89/59/573428959.db2.gz RLPOXBHXSSVURP-GARJFASQSA-N 0 0 183.295 2.193 10 0 AEAERN OC[C@@H]1C[C@@H]1CCc1ccccc1 38234436 573428963 /nfs/dbraw/zinc/42/89/63/573428963.db2.gz NKYZJKZTWSYBTN-RYUDHWBXSA-N 0 0 176.259 2.248 10 0 AEAERN O=CNc1ccc(Cl)c(F)c1 83145291 573427860 /nfs/dbraw/zinc/42/78/60/573427860.db2.gz MFHDCMVJWJUOSD-UHFFFAOYSA-N 0 0 173.574 2.047 10 0 AEAERN C[C@@H]1CCN(C=O)[C@H]2CCCC[C@@H]21 83145083 573427894 /nfs/dbraw/zinc/42/78/94/573427894.db2.gz OSFHWEZZBZBOPO-MXWKQRLJSA-N 0 0 181.279 2.043 10 0 AEAERN COCc1cc(C(C)(C)O)ccc1F 258027780 573428008 /nfs/dbraw/zinc/42/80/08/573428008.db2.gz IUORACIADPHNNZ-UHFFFAOYSA-N 0 0 198.237 2.200 10 0 AEAERN ONCc1ccc(OC2CCC2)cc1 258027493 573428014 /nfs/dbraw/zinc/42/80/14/573428014.db2.gz IPVKHLYAYJWQTE-UHFFFAOYSA-N 0 0 193.246 2.097 10 0 AEAERN COc1c(Cl)ccc2ncncc12 238393513 573428067 /nfs/dbraw/zinc/42/80/67/573428067.db2.gz BHUGJELAETVSBW-UHFFFAOYSA-N 0 0 194.621 2.292 10 0 AEAERN Cc1cccn2nc(-c3ccco3)nc12 258028021 573428134 /nfs/dbraw/zinc/42/81/34/573428134.db2.gz RIGZWLZSMRLABY-UHFFFAOYSA-N 0 0 199.213 2.298 10 0 AEAERN Cn1nc(Cl)c2ccc(F)cc21 257811433 573428153 /nfs/dbraw/zinc/42/81/53/573428153.db2.gz BBDHZMAMSYHUCW-UHFFFAOYSA-N 0 0 184.601 2.366 10 0 AEAERN CC[C@@H]1c2ccsc2CCN1C=O 83145166 573428174 /nfs/dbraw/zinc/42/81/74/573428174.db2.gz HFNFYYBVEPOIAS-SECBINFHSA-N 0 0 195.287 2.214 10 0 AEAERN CC[C@H]1c2ccsc2CCN1C=O 83145167 573428184 /nfs/dbraw/zinc/42/81/84/573428184.db2.gz HFNFYYBVEPOIAS-VIFPVBQESA-N 0 0 195.287 2.214 10 0 AEAERN CN[C@@H](CCC1CC1)C(F)(F)F 130005219 573428186 /nfs/dbraw/zinc/42/81/86/573428186.db2.gz DCDWIVCDSHSKKH-ZETCQYMHSA-N 0 0 181.201 2.327 10 0 AEAERN C[C@@H](Cc1ccccc1Cl)NC=O 83145179 573428199 /nfs/dbraw/zinc/42/81/99/573428199.db2.gz MLWOQAWTMWWTEH-QMMMGPOBSA-N 0 0 197.665 2.017 10 0 AEAERN CS[C@H](C)[C@@H](O)c1ccccc1 238392741 573428231 /nfs/dbraw/zinc/42/82/31/573428231.db2.gz BAIKTCDWPJOCEP-PSASIEDQSA-N 0 0 182.288 2.472 10 0 AEAERN CCC[C@@H](O)c1cc(C)co1 715805214 573428233 /nfs/dbraw/zinc/42/82/33/573428233.db2.gz AFKAJDLKUXFELM-MRVPVSSYSA-N 0 0 154.209 2.422 10 0 AEAERN O=CNc1ccc(F)cc1Cl 83145668 573428259 /nfs/dbraw/zinc/42/82/59/573428259.db2.gz TXTMHWGBLROALC-UHFFFAOYSA-N 0 0 173.574 2.047 10 0 AEAERN COc1cccc([C@H]([NH3+])C(C)(C)C)n1 238392795 573428264 /nfs/dbraw/zinc/42/82/64/573428264.db2.gz KKZHPGVSKJMVQN-JTQLQIEISA-N 0 0 194.278 2.136 10 0 AEAERN O=CN1CCC[C@@H]1C1CCCCC1 83145498 573428278 /nfs/dbraw/zinc/42/82/78/573428278.db2.gz AXZOYZWUMVDHFZ-LLVKDONJSA-N 0 0 181.279 2.188 10 0 AEAERN O=CNc1cccc(-n2cccc2)c1 83145339 573428285 /nfs/dbraw/zinc/42/82/85/573428285.db2.gz VTWOALTWJGKSQB-UHFFFAOYSA-N 0 0 186.214 2.046 10 0 AEAERN CCCCCCc1cc(N)n(C)n1 133751188 573428301 /nfs/dbraw/zinc/42/83/01/573428301.db2.gz BOXAARZYHHBHSG-UHFFFAOYSA-N 0 0 181.283 2.125 10 0 AEAERN OC[C@H]1CC[C@H]1c1ccc(F)cc1 257811631 573428408 /nfs/dbraw/zinc/42/84/08/573428408.db2.gz BFIGRKCTYLXOMQ-KOLCDFICSA-N 0 0 180.222 2.312 10 0 AEAERN COc1cc2c(cc1O)[C@H](C)OCC2 238392246 573428421 /nfs/dbraw/zinc/42/84/21/573428421.db2.gz RARBUPABBYUTIE-ZETCQYMHSA-N 0 0 194.230 2.035 10 0 AEAERN CCC[C@H](C)C[C@H]1CCCNC1=O 133772012 573428432 /nfs/dbraw/zinc/42/84/32/573428432.db2.gz CPBHZQLUHAGWHJ-VHSXEESVSA-N 0 0 183.295 2.339 10 0 AEAERN CC[C@@H](C)N(C=O)Cc1ccccc1 83145634 573428465 /nfs/dbraw/zinc/42/84/65/573428465.db2.gz BVUNUKFNVCXNJI-LLVKDONJSA-N 0 0 191.274 2.444 10 0 AEAERN CCC(O)(CC)c1cccc(O)c1 144140035 573428476 /nfs/dbraw/zinc/42/84/76/573428476.db2.gz COTLZMDSERWIJJ-UHFFFAOYSA-N 0 0 180.247 2.400 10 0 AEAERN CCC[C@H](O)c1cc(C)co1 715805215 573428518 /nfs/dbraw/zinc/42/85/18/573428518.db2.gz AFKAJDLKUXFELM-QMMMGPOBSA-N 0 0 154.209 2.422 10 0 AEAERN C[C@H](NC=O)c1cc2ccccc2o1 83145293 573428521 /nfs/dbraw/zinc/42/85/21/573428521.db2.gz JLTBXBYSGYPOJO-QMMMGPOBSA-N 0 0 189.214 2.240 10 0 AEAERN CO[C@@H](c1cccn1C)C(F)(F)F 238392687 573428559 /nfs/dbraw/zinc/42/85/59/573428559.db2.gz JMXQPGBJCJSGNF-ZETCQYMHSA-N 0 0 193.168 2.275 10 0 AEAERN Cc1ccc(=O)[nH]c1-c1ccccc1 118832683 573429175 /nfs/dbraw/zinc/42/91/75/573429175.db2.gz XNOLLFCZJPJSMQ-UHFFFAOYSA-N 0 0 185.226 2.350 10 0 AEAERN Cc1ccc(C)c([C@H](C)NC=O)c1 83145337 573428610 /nfs/dbraw/zinc/42/86/10/573428610.db2.gz AEGBWFVKIOZYON-JTQLQIEISA-N 0 0 177.247 2.110 10 0 AEAERN C[C@@H](O)c1c[nH+]ccc1NC(C)(C)C 238392996 573428633 /nfs/dbraw/zinc/42/86/33/573428633.db2.gz ZQKYDKCRJPMTEF-MRVPVSSYSA-N 0 0 194.278 2.345 10 0 AEAERN Cc1ccc([C@@H](C)NC=O)c(C)c1 83145539 573428635 /nfs/dbraw/zinc/42/86/35/573428635.db2.gz LCULPYCZANKRRQ-SNVBAGLBSA-N 0 0 177.247 2.110 10 0 AEAERN CCSc1ccccc1NC=O 83145562 573428667 /nfs/dbraw/zinc/42/86/67/573428667.db2.gz KPDOSLNLLLNTKQ-UHFFFAOYSA-N 0 0 181.260 2.367 10 0 AEAERN CC(=C=Cc1ccccc1F)CO 144175087 573428883 /nfs/dbraw/zinc/42/88/83/573428883.db2.gz CZZKHBJJNAFGPC-UHFFFAOYSA-N 0 0 178.206 2.376 10 0 AEAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC=O 83145138 573428690 /nfs/dbraw/zinc/42/86/90/573428690.db2.gz RLPOXBHXSSVURP-OUAUKWLOSA-N 0 0 183.295 2.193 10 0 AEAERN CCON[C@@H](C)c1cccc(OC)c1 133761671 573428714 /nfs/dbraw/zinc/42/87/14/573428714.db2.gz MPTNBFJVWYOERT-VIFPVBQESA-N 0 0 195.262 2.297 10 0 AEAERN Cc1ccc([C@@H](C)N(C)C=O)s1 83145244 573428720 /nfs/dbraw/zinc/42/87/20/573428720.db2.gz OKOGIPIYUNYWFC-MRVPVSSYSA-N 0 0 183.276 2.206 10 0 AEAERN COc1ccc([S-])c(C)c1OC 238393225 573428722 /nfs/dbraw/zinc/42/87/22/573428722.db2.gz NVCPBVLIQXWXNV-UHFFFAOYSA-N 0 0 184.260 2.301 10 0 AEAERN CCCCc1nnc(C2(C)CC2)o1 308389457 573428795 /nfs/dbraw/zinc/42/87/95/573428795.db2.gz YXOWHHXCKZTYSV-UHFFFAOYSA-N 0 0 180.251 2.464 10 0 AEAERN COc1c(Cl)ccc(N)c1C(C)=O 238392023 573428820 /nfs/dbraw/zinc/42/88/20/573428820.db2.gz ZZKJOEVOQVNSCW-UHFFFAOYSA-N 0 0 199.637 2.133 10 0 AEAERN CCC[C@H](C)C[C@@H]1CCCNC1=O 133771621 573428833 /nfs/dbraw/zinc/42/88/33/573428833.db2.gz CPBHZQLUHAGWHJ-UWVGGRQHSA-N 0 0 183.295 2.339 10 0 AEAERN COc1cc(O)c(N)cc1C(C)(C)C 238392251 573428837 /nfs/dbraw/zinc/42/88/37/573428837.db2.gz GDJOBXZEHPNJMJ-UHFFFAOYSA-N 0 0 195.262 2.281 10 0 AEAERN OCC[C@H]1CCCc2cccc(O)c21 257811514 573428838 /nfs/dbraw/zinc/42/88/38/573428838.db2.gz BEGKTRMNXXAITK-SNVBAGLBSA-N 0 0 192.258 2.195 10 0 AEAERN COC(C)(C)c1ccccc1CO 259447941 573428848 /nfs/dbraw/zinc/42/88/48/573428848.db2.gz MGEHVKNLCJPZHE-UHFFFAOYSA-N 0 0 180.247 2.060 10 0 AEAERN Nc1ccc(-c2cccc(O)c2)nc1 257811660 573428853 /nfs/dbraw/zinc/42/88/53/573428853.db2.gz BGPQKQSSXPNSKH-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN CC(C)[C@@H](NC=O)c1ccc(F)cc1 83145211 573428857 /nfs/dbraw/zinc/42/88/57/573428857.db2.gz QITODMPCSILJIK-LLVKDONJSA-N 0 0 195.237 2.269 10 0 AEAERN CCCC[C@@H](CC)[C@@H]1CNC(=O)C1 238209028 573429188 /nfs/dbraw/zinc/42/91/88/573429188.db2.gz AYOAJCXCLZIBRG-ZJUUUORDSA-N 0 0 183.295 2.339 10 0 AEAERN OC1(c2ccc3cc[nH]c3c2F)CC1 258027657 573429005 /nfs/dbraw/zinc/42/90/05/573429005.db2.gz IRSZEGXCOMSEKP-UHFFFAOYSA-N 0 0 191.205 2.288 10 0 AEAERN CC[C@@H](NC=O)c1ccc(C)cc1 83145152 573429022 /nfs/dbraw/zinc/42/90/22/573429022.db2.gz LQMVGKDZKLZCJO-LLVKDONJSA-N 0 0 177.247 2.192 10 0 AEAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC=O 83145136 573429055 /nfs/dbraw/zinc/42/90/55/573429055.db2.gz RLPOXBHXSSVURP-GMTAPVOTSA-N 0 0 183.295 2.193 10 0 AEAERN COc1ccc(-n2cccn2)c(C)c1 238392817 573429091 /nfs/dbraw/zinc/42/90/91/573429091.db2.gz MDGIKJHUIHRSQZ-UHFFFAOYSA-N 0 0 188.230 2.189 10 0 AEAERN CC(C)[C@@H](NC=O)c1cccs1 83145299 573429296 /nfs/dbraw/zinc/42/92/96/573429296.db2.gz QIBLEMISPCQVMF-SECBINFHSA-N 0 0 183.276 2.191 10 0 AEAERN CC(C)c1nn(C)c2c(O)cccc12 257812311 573429326 /nfs/dbraw/zinc/42/93/26/573429326.db2.gz BRKVMIOLUWGDNT-UHFFFAOYSA-N 0 0 190.246 2.402 10 0 AEAERN CO[C@H](C)CC(=O)CC(C)(C)C 238392662 573429343 /nfs/dbraw/zinc/42/93/43/573429343.db2.gz AOYXTNDANVJWRG-MRVPVSSYSA-N 0 0 172.268 2.417 10 0 AEAERN OC1(c2cc3[nH]ccc3cc2F)CC1 258027554 573429344 /nfs/dbraw/zinc/42/93/44/573429344.db2.gz IQVSWZSWEJQDHF-UHFFFAOYSA-N 0 0 191.205 2.288 10 0 AEAERN CC(C)(C)[C@@H](C(N)=O)c1ccccc1 118847639 573429383 /nfs/dbraw/zinc/42/93/83/573429383.db2.gz MWGPVPJAKBDDFA-SNVBAGLBSA-N 0 0 191.274 2.302 10 0 AEAERN CSc1ccc([C@@H](C)NC=O)cc1 83145281 573429424 /nfs/dbraw/zinc/42/94/24/573429424.db2.gz FOZPYIPYAKZVPF-MRVPVSSYSA-N 0 0 195.287 2.216 10 0 AEAERN CCC(F)(F)c1cccc(NN)c1 259446407 573429429 /nfs/dbraw/zinc/42/94/29/573429429.db2.gz KENGRWAISCZHHD-UHFFFAOYSA-N 0 0 186.205 2.474 10 0 AEAERN CC(C)(C)[C@@H]1CCCC[C@@H]1NC=O 83145116 573429687 /nfs/dbraw/zinc/42/96/87/573429687.db2.gz BSOXTZBXYZWPHC-ZJUUUORDSA-N 0 0 183.295 2.337 10 0 AEAERN C[C@@H]1CCN(C=O)[C@@H]2CCCC[C@H]12 83145085 573429466 /nfs/dbraw/zinc/42/94/66/573429466.db2.gz OSFHWEZZBZBOPO-GMTAPVOTSA-N 0 0 181.279 2.043 10 0 AEAERN CC(C)[C@H](NC=O)c1cccs1 83145298 573429519 /nfs/dbraw/zinc/42/95/19/573429519.db2.gz QIBLEMISPCQVMF-VIFPVBQESA-N 0 0 183.276 2.191 10 0 AEAERN Cc1ccc(NC=O)c2cccnc12 83145327 573429526 /nfs/dbraw/zinc/42/95/26/573429526.db2.gz WPYGPKJEAHKSIT-UHFFFAOYSA-N 0 0 186.214 2.112 10 0 AEAERN CC(C)(C)[C@H](C(N)=O)c1ccccc1 118847640 573429541 /nfs/dbraw/zinc/42/95/41/573429541.db2.gz MWGPVPJAKBDDFA-JTQLQIEISA-N 0 0 191.274 2.302 10 0 AEAERN OC1(Cc2ccc3cnccc3c2)CC1 258028779 573429549 /nfs/dbraw/zinc/42/95/49/573429549.db2.gz FCWJYASKTGKKQQ-UHFFFAOYSA-N 0 0 199.253 2.302 10 0 AEAERN CC(C)(C)[C@H]1CCCC[C@@H]1NC=O 83145117 573429598 /nfs/dbraw/zinc/42/95/98/573429598.db2.gz BSOXTZBXYZWPHC-UWVGGRQHSA-N 0 0 183.295 2.337 10 0 AEAERN Nc1ncsc1Cc1ccccc1 258028836 573429599 /nfs/dbraw/zinc/42/95/99/573429599.db2.gz OYUYIKAEAGNNJX-UHFFFAOYSA-N 0 0 190.271 2.316 10 0 AEAERN CCc1ccc([C@H](C)NC=O)cc1 83145202 573429618 /nfs/dbraw/zinc/42/96/18/573429618.db2.gz QAHSLKKVONUANS-VIFPVBQESA-N 0 0 177.247 2.056 10 0 AEAERN C[C@H](NC=O)c1ccccc1Cl 83145791 573429643 /nfs/dbraw/zinc/42/96/43/573429643.db2.gz UOZGTSQLQVUVTF-ZETCQYMHSA-N 0 0 183.638 2.147 10 0 AEAERN CC(C)[C@H](NC=O)c1ccc(F)cc1 83145210 573429658 /nfs/dbraw/zinc/42/96/58/573429658.db2.gz QITODMPCSILJIK-NSHDSACASA-N 0 0 195.237 2.269 10 0 AEAERN COc1ccc(N[C@@H]2CCCO2)cc1 238392259 573429665 /nfs/dbraw/zinc/42/96/65/573429665.db2.gz UTZBWXWMFZGBBQ-NSHDSACASA-N 0 0 193.246 2.244 10 0 AEAERN CC(C)c1ccc(F)c(CNO)c1 258027716 573429675 /nfs/dbraw/zinc/42/96/75/573429675.db2.gz ISTWMVGWENMESC-UHFFFAOYSA-N 0 0 183.226 2.428 10 0 AEAERN CCc1ocnc1-c1ccc(N)cc1 257812278 573431462 /nfs/dbraw/zinc/43/14/62/573431462.db2.gz BQBPYGYXDFYBIT-UHFFFAOYSA-N 0 0 188.230 2.486 10 0 AEAERN CCc1cc(O)cc([C@H](C)CO)c1 258030995 573431470 /nfs/dbraw/zinc/43/14/70/573431470.db2.gz PBLIRADDDMCWFB-MRVPVSSYSA-N 0 0 180.247 2.050 10 0 AEAERN C[C@@H](CO)[C@H]1CCc2ccccc2C1 257812267 573431498 /nfs/dbraw/zinc/43/14/98/573431498.db2.gz BPWOCODACBMOGQ-JQWIXIFHSA-N 0 0 190.286 2.420 10 0 AEAERN C[C@@H](CO)[C@@H]1CCc2ccccc2C1 257812265 573431505 /nfs/dbraw/zinc/43/15/05/573431505.db2.gz BPWOCODACBMOGQ-CMPLNLGQSA-N 0 0 190.286 2.420 10 0 AEAERN C[C@@H]1C(=O)[C@@](C)(Cl)C1(C)C 238394002 573433649 /nfs/dbraw/zinc/43/36/49/573433649.db2.gz WAFWSYDYMBBKPZ-SVGQVSJJSA-N 0 0 160.644 2.229 10 0 AEAERN CCC[C@H]1CCCN(C=O)CC1 83146306 573433661 /nfs/dbraw/zinc/43/36/61/573433661.db2.gz YCEVVYLIIZNINC-JTQLQIEISA-N 0 0 169.268 2.045 10 0 AEAERN Nc1ccc(Cl)cc1CCCCO 257811775 573433677 /nfs/dbraw/zinc/43/36/77/573433677.db2.gz ACWJWZLBKGSNRV-UHFFFAOYSA-N 0 0 199.681 2.237 10 0 AEAERN Cc1cccc([C@@H](O)C2CCC2)c1N 257811801 573431587 /nfs/dbraw/zinc/43/15/87/573431587.db2.gz BIOZGJKPEFGAHJ-LBPRGKRZSA-N 0 0 191.274 2.411 10 0 AEAERN CCCC1CCC(NC=O)CC1 83146238 573431595 /nfs/dbraw/zinc/43/15/95/573431595.db2.gz KXVRVJNOQPTJRO-UHFFFAOYSA-N 0 0 169.268 2.091 10 0 AEAERN C[NH+](C)[C@H]1CCNc2cccc(F)c21 257811854 573431616 /nfs/dbraw/zinc/43/16/16/573431616.db2.gz BKLROTRXIJHBPI-JTQLQIEISA-N 0 0 194.253 2.244 10 0 AEAERN Nc1ccc(O)cc1CC1CCC1 257812410 573431651 /nfs/dbraw/zinc/43/16/51/573431651.db2.gz BPODUJACOYXJFZ-UHFFFAOYSA-N 0 0 177.247 2.317 10 0 AEAERN Cc1ccc2c(c1)C[C@@H](CCO)C2 257812397 573431676 /nfs/dbraw/zinc/43/16/76/573431676.db2.gz BPALMCWSWRPXTN-JTQLQIEISA-N 0 0 176.259 2.092 10 0 AEAERN OCCCc1cccc(CF)c1 258031095 573431715 /nfs/dbraw/zinc/43/17/15/573431715.db2.gz PDDMAGGVAUNZRK-UHFFFAOYSA-N 0 0 168.211 2.081 10 0 AEAERN Nc1cc(O)c2ccc(F)cc2c1 257812384 573431812 /nfs/dbraw/zinc/43/18/12/573431812.db2.gz BOHQNUGGAZEPNC-UHFFFAOYSA-N 0 0 177.178 2.267 10 0 AEAERN COc1c[nH]c(C(F)F)c(C)c1=O 238394137 573431840 /nfs/dbraw/zinc/43/18/40/573431840.db2.gz WUXSDLAOVHLRBK-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN Cc1cncc2cc(CNO)ccc12 258030260 573431883 /nfs/dbraw/zinc/43/18/83/573431883.db2.gz IXZJVGILJMYBKD-UHFFFAOYSA-N 0 0 188.230 2.022 10 0 AEAERN CCC1(CC)CCN(C=O)CC1 83146112 573431891 /nfs/dbraw/zinc/43/18/91/573431891.db2.gz REJBEMSZIJJHSK-UHFFFAOYSA-N 0 0 169.268 2.045 10 0 AEAERN COC(=O)c1cc2ccsc2o1 238393760 573431895 /nfs/dbraw/zinc/43/18/95/573431895.db2.gz UKDVVBGCLOMNGH-UHFFFAOYSA-N 0 0 182.200 2.281 10 0 AEAERN C[C@H](CO)[C@@H]1CCc2ccccc2C1 257812269 573431898 /nfs/dbraw/zinc/43/18/98/573431898.db2.gz BPWOCODACBMOGQ-ZYHUDNBSSA-N 0 0 190.286 2.420 10 0 AEAERN CC(=O)[C@@H](F)C1CCSCC1 257812052 573431948 /nfs/dbraw/zinc/43/19/48/573431948.db2.gz BKVJAMBFGRHWJY-MRVPVSSYSA-N 0 0 176.256 2.057 10 0 AEAERN CS[C@H]1C(=O)Nc2cc(C)ccc21 238394645 573431973 /nfs/dbraw/zinc/43/19/73/573431973.db2.gz ZQVASVZQDNZDEF-SECBINFHSA-N 0 0 193.271 2.351 10 0 AEAERN C[C@H](O)Cc1ccc2c(c1)[C@@H](C)CO2 258031452 573432035 /nfs/dbraw/zinc/43/20/35/573432035.db2.gz KBCAORKYFMQCKA-IUCAKERBSA-N 0 0 192.258 2.106 10 0 AEAERN C/C=C/[C@@H](O)c1cccc(OC)c1 238394898 573432037 /nfs/dbraw/zinc/43/20/37/573432037.db2.gz CMVRCPPMNYURKA-JOAKQRRISA-N 0 0 178.231 2.305 10 0 AEAERN Cc1nc(Cl)nc2c(N)cccc12 257812295 573432085 /nfs/dbraw/zinc/43/20/85/573432085.db2.gz BQVKWXUVEMLKOM-UHFFFAOYSA-N 0 0 193.637 2.174 10 0 AEAERN Cc1cccc([C@@]2(C)CCC(=O)N2)c1 257811819 573432140 /nfs/dbraw/zinc/43/21/40/573432140.db2.gz BJCVTRPZMPVGJJ-GFCCVEGCSA-N 0 0 189.258 2.120 10 0 AEAERN C=C=C[C@@H](O)c1cccc(OC)c1 238394513 573432212 /nfs/dbraw/zinc/43/22/12/573432212.db2.gz NVMCBZQGVSJBFV-LLVKDONJSA-N 0 0 176.215 2.070 10 0 AEAERN COCCCCC1(O)CCCC1 258031246 573432272 /nfs/dbraw/zinc/43/22/72/573432272.db2.gz NWVQEWYQIKETBW-UHFFFAOYSA-N 0 0 172.268 2.108 10 0 AEAERN CC[C@@H](C)Oc1ccc(N)cc1OC 50505369 573432278 /nfs/dbraw/zinc/43/22/78/573432278.db2.gz VWPFOXFLBVRPLI-MRVPVSSYSA-N 0 0 195.262 2.455 10 0 AEAERN Cc1ccc(N)c(C)c1N1CC=CC1 118881874 573432334 /nfs/dbraw/zinc/43/23/34/573432334.db2.gz IGNMEFIXNXOCIV-UHFFFAOYSA-N 0 0 188.274 2.262 10 0 AEAERN COc1ccc2c(c1)C(C)(C)C2=O 238393741 573432341 /nfs/dbraw/zinc/43/23/41/573432341.db2.gz NOPAWFXFCDYGEL-UHFFFAOYSA-N 0 0 176.215 2.169 10 0 AEAERN CC1(C)[C@H](O)CCN1c1ccccc1 259448569 573433730 /nfs/dbraw/zinc/43/37/30/573433730.db2.gz OZIFFNNNHZGHOE-LLVKDONJSA-N 0 0 191.274 2.036 10 0 AEAERN CC(C)(C)[C@@H]1CCCN(C=O)CC1 83146283 573432446 /nfs/dbraw/zinc/43/24/46/573432446.db2.gz LFKBMEYXNCIYQS-SNVBAGLBSA-N 0 0 183.295 2.291 10 0 AEAERN C[C@H](CO)c1ccc2[nH]ccc2c1 258030338 573432455 /nfs/dbraw/zinc/43/24/55/573432455.db2.gz YZODQWPRPHUCKR-MRVPVSSYSA-N 0 0 175.231 2.264 10 0 AEAERN CNc1nsc2cccc(OC)c12 118877526 573432519 /nfs/dbraw/zinc/43/25/19/573432519.db2.gz NMAJCPKYUKHUJL-UHFFFAOYSA-N 0 0 194.259 2.347 10 0 AEAERN Cc1cc(C)c([C@@H](O)[C@@H](C)O)c(C)c1 144213147 573432593 /nfs/dbraw/zinc/43/25/93/573432593.db2.gz GVKWYFTWELPQSJ-PWSUYJOCSA-N 0 0 194.274 2.026 10 0 AEAERN OCCCc1cccc2cnsc12 258030248 573432611 /nfs/dbraw/zinc/43/26/11/573432611.db2.gz IXPFQGFJOJFANT-UHFFFAOYSA-N 0 0 193.271 2.221 10 0 AEAERN C[C@@H](O)c1cc2c(O)cccc2o1 238394903 573432616 /nfs/dbraw/zinc/43/26/16/573432616.db2.gz JEBZHDJBFHQBMY-ZCFIWIBFSA-N 0 0 178.187 2.192 10 0 AEAERN CC(=O)c1ccc(N2CC=CC2)cc1 118876300 573432617 /nfs/dbraw/zinc/43/26/17/573432617.db2.gz YWZJZZYWKHUUJF-UHFFFAOYSA-N 0 0 187.242 2.265 10 0 AEAERN CC(C)c1cc(CON)ccc1F 258030326 573432653 /nfs/dbraw/zinc/43/26/53/573432653.db2.gz IZKILJMMWSFFMT-UHFFFAOYSA-N 0 0 183.226 2.339 10 0 AEAERN Cc1cc(NC=O)c2ccccc2n1 83146580 573432721 /nfs/dbraw/zinc/43/27/21/573432721.db2.gz ZCOIUCFFHXDWRN-UHFFFAOYSA-N 0 0 186.214 2.112 10 0 AEAERN CC(=O)C[C@H](C)Nc1ccccc1 238395033 573432750 /nfs/dbraw/zinc/43/27/50/573432750.db2.gz GVOSADWIFHKGDF-VIFPVBQESA-N 0 0 177.247 2.466 10 0 AEAERN Cc1cc(-c2ccc(O)cc2)ncn1 257812049 573432775 /nfs/dbraw/zinc/43/27/75/573432775.db2.gz BKRDNJLDMTVDDV-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1cccc([C@]2(C)CCC(=O)N2)c1 257811822 573432820 /nfs/dbraw/zinc/43/28/20/573432820.db2.gz BJCVTRPZMPVGJJ-LBPRGKRZSA-N 0 0 189.258 2.120 10 0 AEAERN CC(=O)C[C@H](C)C(C)(C)N=O 238394702 573432880 /nfs/dbraw/zinc/43/28/80/573432880.db2.gz RSSQPEYHVJUROH-LURJTMIESA-N 0 0 157.213 2.147 10 0 AEAERN C[C@H](CO)[C@H]1CCc2cccc(O)c21 257811842 573432912 /nfs/dbraw/zinc/43/29/12/573432912.db2.gz BKBYLUQCMTZEDI-PSASIEDQSA-N 0 0 192.258 2.050 10 0 AEAERN C[C@H](c1cccc(Cl)c1)N(C)C=O 83146038 573432968 /nfs/dbraw/zinc/43/29/68/573432968.db2.gz KQMVVULAPRTQPT-MRVPVSSYSA-N 0 0 197.665 2.489 10 0 AEAERN C[C@@H]1C(=O)[C@H]2CCC[C@@]12C 238394222 573433065 /nfs/dbraw/zinc/43/30/65/573433065.db2.gz XGYQPYIZPOLAQN-BHNWBGBOSA-N 0 0 138.210 2.012 10 0 AEAERN c1cc2c3c([nH]c2cn1)CCC3 144298246 573433130 /nfs/dbraw/zinc/43/31/30/573433130.db2.gz APOOEZYRMCXDGR-UHFFFAOYSA-N 0 0 158.204 2.052 10 0 AEAERN CC(C)(C)[C@H]1CCCN(C=O)CC1 83146285 573433183 /nfs/dbraw/zinc/43/31/83/573433183.db2.gz LFKBMEYXNCIYQS-JTQLQIEISA-N 0 0 183.295 2.291 10 0 AEAERN C[C@H](F)n1c(C=O)nc2ccccc21 144207768 573433270 /nfs/dbraw/zinc/43/32/70/573433270.db2.gz FUZMQADMRQVSBU-SSDOTTSWSA-N 0 0 192.193 2.337 10 0 AEAERN COc1cccc(C2(O)CC2)c1CF 258030296 573433473 /nfs/dbraw/zinc/43/34/73/573433473.db2.gz IYZATADFVKEFCM-UHFFFAOYSA-N 0 0 196.221 2.146 10 0 AEAERN CC1(C)[C@@H](O)CCN1c1ccccc1 259448574 573433477 /nfs/dbraw/zinc/43/34/77/573433477.db2.gz OZIFFNNNHZGHOE-NSHDSACASA-N 0 0 191.274 2.036 10 0 AEAERN COc1[nH]c(=O)c(C)cc1C(F)F 238394407 573433492 /nfs/dbraw/zinc/43/34/92/573433492.db2.gz CXMLKSSBICIKQZ-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN CC(=O)c1cccc(N2CC=CC2)c1 118876307 573433498 /nfs/dbraw/zinc/43/34/98/573433498.db2.gz RJVGWPUQAHAIPK-UHFFFAOYSA-N 0 0 187.242 2.265 10 0 AEAERN Nc1cc(N2CC=CC2)ccc1Cl 118881705 573434104 /nfs/dbraw/zinc/43/41/04/573434104.db2.gz WBRSNUQUADTKHQ-UHFFFAOYSA-N 0 0 194.665 2.298 10 0 AEAERN Cc1nc([C@H](O)C(F)(F)F)cs1 118870489 573433542 /nfs/dbraw/zinc/43/35/42/573433542.db2.gz RKYYAFDLNXUYPR-YFKPBYRVSA-N 0 0 197.181 2.047 10 0 AEAERN C[C@@H](O)C[C@@H](F)c1ccccc1 238394953 573433555 /nfs/dbraw/zinc/43/35/55/573433555.db2.gz ANKGFPNGJNALNE-PSASIEDQSA-N 0 0 168.211 2.468 10 0 AEAERN COc1ccccc1C[C@@H](F)C(C)=O 257812550 573433622 /nfs/dbraw/zinc/43/36/22/573433622.db2.gz BTFLNROQIMVTDH-SNVBAGLBSA-N 0 0 196.221 2.165 10 0 AEAERN C[C@H](O)Cc1ccc2c(c1)[C@H](C)CO2 258031447 573433701 /nfs/dbraw/zinc/43/37/01/573433701.db2.gz KBCAORKYFMQCKA-BDAKNGLRSA-N 0 0 192.258 2.106 10 0 AEAERN Cc1ccc2cccc(NC=O)c2n1 83146113 573433757 /nfs/dbraw/zinc/43/37/57/573433757.db2.gz BRZIWIPKDGGMDN-UHFFFAOYSA-N 0 0 186.214 2.112 10 0 AEAERN COC(=O)c1cc2ccoc2cc1F 238393639 573433758 /nfs/dbraw/zinc/43/37/58/573433758.db2.gz PDYGNEURZYVJLA-UHFFFAOYSA-N 0 0 194.161 2.359 10 0 AEAERN C[C@@H]1COc2ccc(C[C@@H](C)O)cc21 258031453 573433766 /nfs/dbraw/zinc/43/37/66/573433766.db2.gz KBCAORKYFMQCKA-RKDXNWHRSA-N 0 0 192.258 2.106 10 0 AEAERN C[C@@H](O)c1coc2ccc(O)cc12 258030292 573433775 /nfs/dbraw/zinc/43/37/75/573433775.db2.gz YZCLAPZQVGZNRX-ZCFIWIBFSA-N 0 0 178.187 2.192 10 0 AEAERN CC[C@H](NC=O)C1CCCCC1 83145923 573433830 /nfs/dbraw/zinc/43/38/30/573433830.db2.gz QSHDLMKGRGNHCA-JTQLQIEISA-N 0 0 169.268 2.091 10 0 AEAERN C[C@@H]1C(=O)[C@@H]2CCC[C@@]12C 238393815 573433832 /nfs/dbraw/zinc/43/38/32/573433832.db2.gz XGYQPYIZPOLAQN-FJXKBIBVSA-N 0 0 138.210 2.012 10 0 AEAERN Nc1ccc(N2CC=CC2)c(Cl)c1 118881680 573433833 /nfs/dbraw/zinc/43/38/33/573433833.db2.gz KFBPZNVYDCCZBD-UHFFFAOYSA-N 0 0 194.665 2.298 10 0 AEAERN C[C@@H](c1cccc(Cl)c1)N(C)C=O 83146037 573433940 /nfs/dbraw/zinc/43/39/40/573433940.db2.gz KQMVVULAPRTQPT-QMMMGPOBSA-N 0 0 197.665 2.489 10 0 AEAERN CC(=O)[C@@H](F)Cc1ccc(F)cc1 257811993 573433944 /nfs/dbraw/zinc/43/39/44/573433944.db2.gz BIWBFXITSXHQLB-JTQLQIEISA-N 0 0 184.185 2.295 10 0 AEAERN CC(=O)[C@H](F)Cc1ccc(F)cc1 257811994 573433961 /nfs/dbraw/zinc/43/39/61/573433961.db2.gz BIWBFXITSXHQLB-SNVBAGLBSA-N 0 0 184.185 2.295 10 0 AEAERN CSC[C@H](O)CCCC1CC1 406061522 573433981 /nfs/dbraw/zinc/43/39/81/573433981.db2.gz MRKLKVTXJHIZMS-SECBINFHSA-N 0 0 174.309 2.291 10 0 AEAERN COc1ccc2c(c1)CC/C2=C\CO 238393611 573434126 /nfs/dbraw/zinc/43/41/26/573434126.db2.gz FABWUCILEBTMHV-RMKNXTFCSA-N 0 0 190.242 2.017 10 0 AEAERN CC(=O)[C@H](F)C1CCSCC1 257812053 573434017 /nfs/dbraw/zinc/43/40/17/573434017.db2.gz BKVJAMBFGRHWJY-QMMMGPOBSA-N 0 0 176.256 2.057 10 0 AEAERN Nc1cc(C2CC2)nc(C2CCC2)n1 83146387 573434928 /nfs/dbraw/zinc/43/49/28/573434928.db2.gz SROISVVFWKSKAD-UHFFFAOYSA-N 0 0 189.262 2.204 10 0 AEAERN CCc1ccc(N2CC=CC2)cc1N 118881970 573434947 /nfs/dbraw/zinc/43/49/47/573434947.db2.gz CMCYFWOHEUJNNJ-UHFFFAOYSA-N 0 0 188.274 2.207 10 0 AEAERN Clc1ccc2c(c1)NCO2 144202147 573435006 /nfs/dbraw/zinc/43/50/06/573435006.db2.gz PXMDCAGIWSJFLB-UHFFFAOYSA-N 0 0 155.584 2.102 10 0 AEAERN CCc1cccc(C(C)(C)CO)c1O 258030270 573435017 /nfs/dbraw/zinc/43/50/17/573435017.db2.gz IYGRCOHTEXODKM-UHFFFAOYSA-N 0 0 194.274 2.225 10 0 AEAERN O=CN1CCC2(CCCCC2)CC1 83146081 573435053 /nfs/dbraw/zinc/43/50/53/573435053.db2.gz GXJIFZOPFVLQHR-UHFFFAOYSA-N 0 0 181.279 2.189 10 0 AEAERN COCC[C@@H]1C=C[C@H](C(C)C)C[C@H]1O 308580986 573435062 /nfs/dbraw/zinc/43/50/62/573435062.db2.gz JUKXBNXBJMUHMD-SDDRHHMPSA-N 0 0 198.306 2.232 10 0 AEAERN C[C@H](O)c1coc2ccc(O)cc12 258030287 573435075 /nfs/dbraw/zinc/43/50/75/573435075.db2.gz YZCLAPZQVGZNRX-LURJTMIESA-N 0 0 178.187 2.192 10 0 AEAERN COc1ccc(SC(N)=S)cc1 238393942 573435091 /nfs/dbraw/zinc/43/50/91/573435091.db2.gz FPNOQCDEHOMKJO-UHFFFAOYSA-N 0 0 199.300 2.031 10 0 AEAERN CN(Cc1ccc(F)cc1)C(=O)S 258649442 573435209 /nfs/dbraw/zinc/43/52/09/573435209.db2.gz GVNDHGPXNNUUPP-UHFFFAOYSA-N 0 0 199.250 2.307 10 0 AEAERN Cc1nc2cc(F)c(F)cc2[nH]1 48356845 573435234 /nfs/dbraw/zinc/43/52/34/573435234.db2.gz JXSKHZIAKGMOTN-UHFFFAOYSA-N 0 0 168.146 2.150 10 0 AEAERN C[C@H](O)Cc1ccc(C2CC2)cc1 258031191 573435246 /nfs/dbraw/zinc/43/52/46/573435246.db2.gz PELYULYYGFEVJG-VIFPVBQESA-N 0 0 176.259 2.487 10 0 AEAERN CSc1c(F)ccc(C=O)c1F 258030937 573435277 /nfs/dbraw/zinc/43/52/77/573435277.db2.gz PAIGJDQDODYNFA-UHFFFAOYSA-N 0 0 188.198 2.499 10 0 AEAERN COc1cc(N)ccc1OCC1CC1 50505515 573435297 /nfs/dbraw/zinc/43/52/97/573435297.db2.gz JSLBRXMRWFPFMT-UHFFFAOYSA-N 0 0 193.246 2.066 10 0 AEAERN C[C@@H]1CNC(=O)C12CCCCCC2 238393623 573435335 /nfs/dbraw/zinc/43/53/35/573435335.db2.gz VHIVRPQOLGMIPL-SECBINFHSA-N 0 0 181.279 2.093 10 0 AEAERN C[C@@H](CO)c1ccc2[nH]ccc2c1 258030341 573435343 /nfs/dbraw/zinc/43/53/43/573435343.db2.gz YZODQWPRPHUCKR-QMMMGPOBSA-N 0 0 175.231 2.264 10 0 AEAERN CS[C@H]1CC/C=C/CCC1=O 238394990 573435346 /nfs/dbraw/zinc/43/53/46/573435346.db2.gz ISLTYWYEYTTZLU-HPOULIHZSA-N 0 0 170.277 2.417 10 0 AEAERN COc1ccc2c(c1C)NCCC2=O 238394097 573435360 /nfs/dbraw/zinc/43/53/60/573435360.db2.gz DEDCWASLHSIIBC-UHFFFAOYSA-N 0 0 191.230 2.002 10 0 AEAERN C[C@@H](O)CSc1ccsc1 238393691 573435365 /nfs/dbraw/zinc/43/53/65/573435365.db2.gz NDNKBIXZYKNZTP-ZCFIWIBFSA-N 0 0 174.290 2.221 10 0 AEAERN CCc1cc(O)cc([C@@H](C)CO)c1 258030998 573435366 /nfs/dbraw/zinc/43/53/66/573435366.db2.gz PBLIRADDDMCWFB-QMMMGPOBSA-N 0 0 180.247 2.050 10 0 AEAERN COc1[nH]c(=O)cc(C(F)F)c1C 238394895 573435393 /nfs/dbraw/zinc/43/53/93/573435393.db2.gz ZGRCUZSPYZGBLK-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN CCC(=O)c1sc(C)nc1C 83161849 573436163 /nfs/dbraw/zinc/43/61/63/573436163.db2.gz XDJKGLMSZMJCQH-UHFFFAOYSA-N 0 0 169.249 2.353 10 0 AEAERN CO[C@H](C)Cc1cc(C)c(N)c(C)c1 238393780 573435442 /nfs/dbraw/zinc/43/54/42/573435442.db2.gz YTNHKTZVYIRKNT-SNVBAGLBSA-N 0 0 193.290 2.463 10 0 AEAERN Cn1cc(Oc2ccccc2)cn1 258652831 573435448 /nfs/dbraw/zinc/43/54/48/573435448.db2.gz SIBWCXAWQMEBHS-UHFFFAOYSA-N 0 0 174.203 2.212 10 0 AEAERN CS[C@H]1CC(=O)[C@H]2CC[C@@H]1C2 238394973 573435464 /nfs/dbraw/zinc/43/54/64/573435464.db2.gz CLABQEAOKCNKIK-OOZYFLPDSA-N 0 0 170.277 2.107 10 0 AEAERN Cc1ncc([C@H](O)C(F)(F)F)s1 118856925 573435490 /nfs/dbraw/zinc/43/54/90/573435490.db2.gz PTOQUOQKHQMRJR-YFKPBYRVSA-N 0 0 197.181 2.047 10 0 AEAERN Nc1cccc(-n2cncc2C2CC2)c1 133719033 573435522 /nfs/dbraw/zinc/43/55/22/573435522.db2.gz ZSLHHVGSVSWORT-UHFFFAOYSA-N 0 0 199.257 2.332 10 0 AEAERN C[NH2+]Cc1cnc(Cl)c(Cl)c1 118855193 573435552 /nfs/dbraw/zinc/43/55/52/573435552.db2.gz GSCKFVJPXUJFTQ-UHFFFAOYSA-N 0 0 191.061 2.108 10 0 AEAERN COC=C=C(C)[C@@H](O)c1ccccc1 238395037 573435615 /nfs/dbraw/zinc/43/56/15/573435615.db2.gz CSFYOVBUXGFDSZ-LESKNEHBSA-N 0 0 190.242 2.425 10 0 AEAERN Nc1cccc(CC2(O)CCCC2)c1 257812623 573435619 /nfs/dbraw/zinc/43/56/19/573435619.db2.gz BWGWAYZNRSOLJP-UHFFFAOYSA-N 0 0 191.274 2.116 10 0 AEAERN CC1=CC[C@@]2(CC=CCO2)C1 210201309 573436171 /nfs/dbraw/zinc/43/61/71/573436171.db2.gz ZRZIGTGCMRQVIV-JTQLQIEISA-N 0 0 150.221 2.442 10 0 AEAERN CC(C)=C[C@H](C)C[C@@H](C)O 238393989 573435785 /nfs/dbraw/zinc/43/57/85/573435785.db2.gz SOJJOVXNPQHJKM-DTWKUNHWSA-N 0 0 142.242 2.360 10 0 AEAERN O=C1CCCOc2cc(Cl)ncc21 144205228 573435790 /nfs/dbraw/zinc/43/57/90/573435790.db2.gz WSBAYNDURKDPGQ-UHFFFAOYSA-N 0 0 197.621 2.090 10 0 AEAERN CC(=O)c1cc(N)ccc1OC(C)C 144267956 573435810 /nfs/dbraw/zinc/43/58/10/573435810.db2.gz SJCXGSPWKMYHPY-UHFFFAOYSA-N 0 0 193.246 2.259 10 0 AEAERN COc1cnc(C(F)F)c(C)c1F 238394048 573435822 /nfs/dbraw/zinc/43/58/22/573435822.db2.gz KRCSOARYSACYAS-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN Cc1ccccc1[C@]1(C)CCC(=O)N1 257813349 573435866 /nfs/dbraw/zinc/43/58/66/573435866.db2.gz CDPBRDZJLYGBCF-LBPRGKRZSA-N 0 0 189.258 2.120 10 0 AEAERN C[C@@H]1C(=O)[C@](C)(Cl)C1(C)C 238394357 573435867 /nfs/dbraw/zinc/43/58/67/573435867.db2.gz WAFWSYDYMBBKPZ-XRGYYRRGSA-N 0 0 160.644 2.229 10 0 AEAERN Cc1ncc([C@@H](O)C(F)(F)F)s1 118856923 573435977 /nfs/dbraw/zinc/43/59/77/573435977.db2.gz 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/nfs/dbraw/zinc/43/61/25/573436125.db2.gz GBKZVTDXMJLAIV-SSDOTTSWSA-N 0 0 171.265 2.203 10 0 AEAERN CO[C@H](C)[C@@H]1CC[C@@H](C)C(=O)C1 238395192 573436738 /nfs/dbraw/zinc/43/67/38/573436738.db2.gz OTKFALIIDZWTNX-IWSPIJDZSA-N 0 0 170.252 2.027 10 0 AEAERN COc1cc2c(c(OC)c1)C[C@H](C)N2 238395372 573436754 /nfs/dbraw/zinc/43/67/54/573436754.db2.gz MIRBYLJYMXZKDT-ZETCQYMHSA-N 0 0 193.246 2.060 10 0 AEAERN CC(=O)[C@H](F)C1CCCCC1 258655659 573440268 /nfs/dbraw/zinc/44/02/68/573440268.db2.gz ZXQWEKURSILXMG-VIFPVBQESA-N 0 0 158.216 2.494 10 0 AEAERN COCc1ccc2[nH]c(C)nc2c1 259102929 573440270 /nfs/dbraw/zinc/44/02/70/573440270.db2.gz BASYZRXVPJWMIU-UHFFFAOYSA-N 0 0 176.219 2.018 10 0 AEAERN COc1ccc([C@@H](O)C23CC2C3)cc1 238395231 573437342 /nfs/dbraw/zinc/43/73/42/573437342.db2.gz HYDGDROKEOGMPU-CKBZRRDASA-N 0 0 190.242 2.139 10 0 AEAERN Cc1oc(=O)[nH]c1-c1cccc(O)c1 257813338 573437344 /nfs/dbraw/zinc/43/73/44/573437344.db2.gz CCPICKQVFQOIMS-UHFFFAOYSA-N 0 0 191.186 2.061 10 0 AEAERN 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/nfs/dbraw/zinc/44/10/77/573441077.db2.gz CBHIZUZSUKWZEK-LLVKDONJSA-N 0 0 178.231 2.416 10 0 AEAERN CC[C@H](O)c1sc(C)nc1C 83161909 573441104 /nfs/dbraw/zinc/44/11/04/573441104.db2.gz GBKZVTDXMJLAIV-ZETCQYMHSA-N 0 0 171.265 2.203 10 0 AEAERN CC1(C)c2cc(F)ccc2CC[C@@H]1O 259451783 573441232 /nfs/dbraw/zinc/44/12/32/573441232.db2.gz VKYTYKWCSCIVHO-NSHDSACASA-N 0 0 194.249 2.410 10 0 AEAERN CO[C@@H]1CCCCCC(=O)[C@@H]1C 238397640 573441237 /nfs/dbraw/zinc/44/12/37/573441237.db2.gz KDTKPFUBAMGWMP-WCBMZHEXSA-N 0 0 170.252 2.171 10 0 AEAERN CC(C)ON[C@H](C)c1ccncc1 393519953 573441264 /nfs/dbraw/zinc/44/12/64/573441264.db2.gz PEFMMLWPTLSISQ-SECBINFHSA-N 0 0 180.251 2.072 10 0 AEAERN COc1ccc2c(c1)C(C)(C)C(=O)C2 238396927 573441294 /nfs/dbraw/zinc/44/12/94/573441294.db2.gz SIAWJIAXJZRYQW-UHFFFAOYSA-N 0 0 190.242 2.098 10 0 AEAERN CC(=O)NC1=Cc2ccccc2[C@@H]1C 238396493 573441308 /nfs/dbraw/zinc/44/13/08/573441308.db2.gz SWBFRRMACVTPPJ-QMMMGPOBSA-N 0 0 187.242 2.281 10 0 AEAERN CO[C@H](C)[C@]1(C)CCCCC1=O 238396767 573441371 /nfs/dbraw/zinc/44/13/71/573441371.db2.gz DOEAJRKFGPKOLF-SCZZXKLOSA-N 0 0 170.252 2.171 10 0 AEAERN Cc1c(F)nc(CCC2CC2)nc1F 690045443 573441382 /nfs/dbraw/zinc/44/13/82/573441382.db2.gz ABJFZXLHBWAEDQ-UHFFFAOYSA-N 0 0 198.216 2.406 10 0 AEAERN C[C@@H](O)C[C@@H]1C[C@@H]2CC[C@H]1C2 238397414 573441462 /nfs/dbraw/zinc/44/14/62/573441462.db2.gz KRKSORNFMAMUPV-DOLQZWNJSA-N 0 0 154.253 2.194 10 0 AEAERN Cc1ccc(NCC2(CO)CC2)cc1 258651309 573442378 /nfs/dbraw/zinc/44/23/78/573442378.db2.gz MTBMMLUYOOZAKP-UHFFFAOYSA-N 0 0 191.274 2.179 10 0 AEAERN CC(=O)[C@@H](F)C1CCCCC1 258655655 573442391 /nfs/dbraw/zinc/44/23/91/573442391.db2.gz ZXQWEKURSILXMG-SECBINFHSA-N 0 0 158.216 2.494 10 0 AEAERN Cc1ccc(O)c(C(C)(C)CO)c1F 258022631 573442393 /nfs/dbraw/zinc/44/23/93/573442393.db2.gz DRSYKPNVQANGTF-UHFFFAOYSA-N 0 0 198.237 2.110 10 0 AEAERN Clc1c[nH]c([C@@H]2CCSC2)n1 258654714 573443027 /nfs/dbraw/zinc/44/30/27/573443027.db2.gz XBADDLNRGLMATM-RXMQYKEDSA-N 0 0 188.683 2.284 10 0 AEAERN COc1ccc(O)c(N2CCCC2)c1 238397059 573442501 /nfs/dbraw/zinc/44/25/01/573442501.db2.gz PXYRCUCFYWEMMT-UHFFFAOYSA-N 0 0 193.246 2.001 10 0 AEAERN CO[C@@H]1CCCCCC(=O)[C@H]1C 238397656 573442550 /nfs/dbraw/zinc/44/25/50/573442550.db2.gz KDTKPFUBAMGWMP-PSASIEDQSA-N 0 0 170.252 2.171 10 0 AEAERN C[C@@H]1C(=O)CCC(C)(C)C1=O 238396602 573442563 /nfs/dbraw/zinc/44/25/63/573442563.db2.gz RHHDWKYCLPKSSY-ZCFIWIBFSA-N 0 0 154.209 2.063 10 0 AEAERN CC(C)(C)c1cnc2n1CCC[C@@H]2O 257813607 573442576 /nfs/dbraw/zinc/44/25/76/573442576.db2.gz CFQCEBUUDIMKAE-QMMMGPOBSA-N 0 0 194.278 2.008 10 0 AEAERN C[C@@H](O)c1ncc2c(Cl)cccn12 257813687 573442590 /nfs/dbraw/zinc/44/25/90/573442590.db2.gz CIAWPZGZNGJGPE-ZCFIWIBFSA-N 0 0 196.637 2.041 10 0 AEAERN CCc1ncc(Cl)nc1CC 585140075 573442659 /nfs/dbraw/zinc/44/26/59/573442659.db2.gz FIGAHEVCCBIIRZ-UHFFFAOYSA-N 0 0 170.643 2.255 10 0 AEAERN C/C=C\CCNc1nc(C)cnc1C 308390841 573442665 /nfs/dbraw/zinc/44/26/65/573442665.db2.gz KNSNMXCNQRKZBD-PLNGDYQASA-N 0 0 191.278 2.472 10 0 AEAERN C[C@@H]1CCCc2nnc(C(C)(C)C)n21 258023258 573442676 /nfs/dbraw/zinc/44/26/76/573442676.db2.gz BXWJEGHWBGKRGS-MRVPVSSYSA-N 0 0 193.294 2.473 10 0 AEAERN CS[C@H]1NC=CN1c1ccccc1 238396606 573442875 /nfs/dbraw/zinc/44/28/75/573442875.db2.gz LVSPDAWFXFMHSM-JTQLQIEISA-N 0 0 192.287 2.214 10 0 AEAERN CCCC[NH2+][C@@H](C)c1ccnc(C)n1 308585957 573443051 /nfs/dbraw/zinc/44/30/51/573443051.db2.gz IITFQUHBGGZOEH-VIFPVBQESA-N 0 0 193.294 2.236 10 0 AEAERN Cc1ncncc1-c1cccc(N)c1 257813522 573442946 /nfs/dbraw/zinc/44/29/46/573442946.db2.gz CCTDXDDMPZNCNS-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CCC[C@](C)(F)c1nc[nH]c(=O)c1C 144254154 573442976 /nfs/dbraw/zinc/44/29/76/573442976.db2.gz GGDBZGZYBHPSKI-JTQLQIEISA-N 0 0 198.241 2.063 10 0 AEAERN Cc1cc([C@H](C)O)cc(O)c1C 258022349 573444857 /nfs/dbraw/zinc/44/48/57/573444857.db2.gz OHBBQDDSHRDSNR-QMMMGPOBSA-N 0 0 166.220 2.062 10 0 AEAERN CCc1cc(NC(C)=O)ccc1OC 74983684 573443688 /nfs/dbraw/zinc/44/36/88/573443688.db2.gz VDYNXVLINKLWFV-UHFFFAOYSA-N 0 0 193.246 2.216 10 0 AEAERN CN1CCCCc2ccc(O)cc21 107252441 573443713 /nfs/dbraw/zinc/44/37/13/573443713.db2.gz JJFRFNWPHPIXGG-UHFFFAOYSA-N 0 0 177.247 2.165 10 0 AEAERN C[C@@H](F)c1ccc(N)s1 107255980 573443790 /nfs/dbraw/zinc/44/37/90/573443790.db2.gz TVQRTNPHSKUYEV-SCSAIBSYSA-N 0 0 145.202 2.361 10 0 AEAERN CCC(CC)c1cc(CCO)on1 83187156 573443800 /nfs/dbraw/zinc/44/38/00/573443800.db2.gz GHRKJQXIRWMQGU-UHFFFAOYSA-N 0 0 183.251 2.113 10 0 AEAERN Cc1c(F)cnc2c(O)cccc12 257813497 573443811 /nfs/dbraw/zinc/44/38/11/573443811.db2.gz CCCYSQRXMOLTNO-UHFFFAOYSA-N 0 0 177.178 2.388 10 0 AEAERN COCNc1ccc(F)c(Cl)c1 258654172 573443817 /nfs/dbraw/zinc/44/38/17/573443817.db2.gz MZAKMCDDICIRPC-UHFFFAOYSA-N 0 0 189.617 2.495 10 0 AEAERN C[C@@H]1CC=C(CC(=O)C2CC2)O1 238397129 573443839 /nfs/dbraw/zinc/44/38/39/573443839.db2.gz TUWNHHXUPCMRKQ-SSDOTTSWSA-N 0 0 166.220 2.048 10 0 AEAERN COc1ccc2c(c1)S[C@H](O)C=C2 238396810 573443874 /nfs/dbraw/zinc/44/38/74/573443874.db2.gz MSBVGNVKXVNPRL-JTQLQIEISA-N 0 0 194.255 2.133 10 0 AEAERN C[C@@H]1CCCC[C@]12CCCNC2=O 238397757 573444697 /nfs/dbraw/zinc/44/46/97/573444697.db2.gz HKWPCHQOZACDDO-KOLCDFICSA-N 0 0 181.279 2.093 10 0 AEAERN Fc1ccccc1OCc1cocn1 258022649 573443901 /nfs/dbraw/zinc/44/39/01/573443901.db2.gz DGEZXUZWTFNPGX-UHFFFAOYSA-N 0 0 193.177 2.393 10 0 AEAERN CCCc1ccc(CNC(C)=O)cc1 74986775 573443910 /nfs/dbraw/zinc/44/39/10/573443910.db2.gz RDWGRABCRLHMRZ-UHFFFAOYSA-N 0 0 191.274 2.275 10 0 AEAERN Cc1nc(C=O)oc1C1CCCC1 257813530 573443918 /nfs/dbraw/zinc/44/39/18/573443918.db2.gz CCXDGBFPYQFJRG-UHFFFAOYSA-N 0 0 179.219 2.453 10 0 AEAERN CS[C@H]1OCc2ccc(O)cc21 238396701 573443921 /nfs/dbraw/zinc/44/39/21/573443921.db2.gz XVEXUBZGVBZWIT-SECBINFHSA-N 0 0 182.244 2.284 10 0 AEAERN Oc1cccc2c1CCCCN2 107252249 573443926 /nfs/dbraw/zinc/44/39/26/573443926.db2.gz MYFKUVXBOCJDKF-UHFFFAOYSA-N 0 0 163.220 2.140 10 0 AEAERN C[C@@H](O)C[C@@H]1CCc2ccccc2N1 238397805 573443940 /nfs/dbraw/zinc/44/39/40/573443940.db2.gz JKIXYCYNASTWFX-KOLCDFICSA-N 0 0 191.274 2.184 10 0 AEAERN CO[C@@H]1CCCCCCC(=O)C1 238397680 573444023 /nfs/dbraw/zinc/44/40/23/573444023.db2.gz RORDSQKNZQJYHH-SNVBAGLBSA-N 0 0 170.252 2.315 10 0 AEAERN NN[C@H](C1=CCCCC1)c1ccoc1 236222819 573444121 /nfs/dbraw/zinc/44/41/21/573444121.db2.gz FXSOQJHAEYCTER-LLVKDONJSA-N 0 0 192.262 2.284 10 0 AEAERN Cc1ccn2nc(C3CCC3)nc2c1 258023022 573444123 /nfs/dbraw/zinc/44/41/23/573444123.db2.gz RBBGPKFLTSZBRS-UHFFFAOYSA-N 0 0 187.246 2.305 10 0 AEAERN C[C@@H]1CN[C@@](C)(c2ccccc2F)O1 258658018 573444127 /nfs/dbraw/zinc/44/41/27/573444127.db2.gz SKXSBRNJFBXYCP-LDYMZIIASA-N 0 0 195.237 2.007 10 0 AEAERN CCc1cc(N)c(F)c(F)c1 258656782 573444206 /nfs/dbraw/zinc/44/42/06/573444206.db2.gz ZYITWUWKPMCNOJ-UHFFFAOYSA-N 0 0 157.163 2.109 10 0 AEAERN C[C@@H]1N[C@@H](C)SC(=S)S1 238397333 573444296 /nfs/dbraw/zinc/44/42/96/573444296.db2.gz SHVBVYNIIOTDSK-QWWZWVQMSA-N 0 0 179.335 2.033 10 0 AEAERN CCC(=O)NCc1ccc(C)c(C)c1 74986050 573444307 /nfs/dbraw/zinc/44/43/07/573444307.db2.gz KUGXUQQEJQPZQP-UHFFFAOYSA-N 0 0 191.274 2.330 10 0 AEAERN COc1c(C)cc(C)cc1NC(C)=O 74983954 573444314 /nfs/dbraw/zinc/44/43/14/573444314.db2.gz XOCCLYFELKBAMO-UHFFFAOYSA-N 0 0 193.246 2.270 10 0 AEAERN CC1=CC[C@H]([C@@H](C)O)CC1 142500964 573444353 /nfs/dbraw/zinc/44/43/53/573444353.db2.gz GLBZSENPZLIMDY-BDAKNGLRSA-N 0 0 140.226 2.114 10 0 AEAERN COc1ccc([C@@H](C)NC=S)cc1 238397528 573444358 /nfs/dbraw/zinc/44/43/58/573444358.db2.gz NCXGSKZLSNDNJX-MRVPVSSYSA-N 0 0 195.287 2.303 10 0 AEAERN CC1=C[C@@H](C)C(=O)NC(C)=C1Cl 238397821 573444438 /nfs/dbraw/zinc/44/44/38/573444438.db2.gz RWFMPGDLQZIBPW-ZCFIWIBFSA-N 0 0 185.654 2.169 10 0 AEAERN CNC(=O)Nc1coc2ccccc12 258654318 573444541 /nfs/dbraw/zinc/44/45/41/573444541.db2.gz HIEAIMSTIVKALY-UHFFFAOYSA-N 0 0 190.202 2.184 10 0 AEAERN CCCn1cncc1[C@H]([NH3+])CC(C)C 130054482 573444546 /nfs/dbraw/zinc/44/45/46/573444546.db2.gz GIAGTQVGQMOHRM-SNVBAGLBSA-N 0 0 195.310 2.339 10 0 AEAERN Nc1n[nH]c(C2CCCCCCC2)n1 83187725 573444551 /nfs/dbraw/zinc/44/45/51/573444551.db2.gz BMQTUDNEOGKTFF-UHFFFAOYSA-N 0 0 194.282 2.215 10 0 AEAERN CC(C)/C=C/C[C@H](C)CC(N)=O 238218812 573444614 /nfs/dbraw/zinc/44/46/14/573444614.db2.gz HHTWKDAYPLLNNF-MOVJSRMASA-N 0 0 169.268 2.100 10 0 AEAERN C[C@@H]1CC2=CCC=C[C@]2(C)C1=O 238396956 573444626 /nfs/dbraw/zinc/44/46/26/573444626.db2.gz VAACBZNSVNIDAK-KCJUWKMLSA-N 0 0 162.232 2.488 10 0 AEAERN CC(C)(C)CC(=O)NCc1cc[nH]c1 74988982 573444661 /nfs/dbraw/zinc/44/46/61/573444661.db2.gz BHGMVHWQLXBIEV-UHFFFAOYSA-N 0 0 194.278 2.067 10 0 AEAERN CO[C@H]1CCCc2ccc(O)cc21 257813471 573444668 /nfs/dbraw/zinc/44/46/68/573444668.db2.gz CBHIZUZSUKWZEK-NSHDSACASA-N 0 0 178.231 2.416 10 0 AEAERN CCSCCn1ccc(C=O)c1 130059339 573444689 /nfs/dbraw/zinc/44/46/89/573444689.db2.gz UXOXWFVMTNSRBF-UHFFFAOYSA-N 0 0 183.276 2.054 10 0 AEAERN C[C@@H](F)c1nc2cc(N)ccc2n1C 107255622 573444768 /nfs/dbraw/zinc/44/47/68/573444768.db2.gz HDEFZWQZTOVFLS-ZCFIWIBFSA-N 0 0 193.225 2.186 10 0 AEAERN C=Cc1c(Cl)cnn1CC 259451810 573444773 /nfs/dbraw/zinc/44/47/73/573444773.db2.gz VLCMZJZHNSEBJP-UHFFFAOYSA-N 0 0 156.616 2.199 10 0 AEAERN Nc1ccc2[nH]c(CCCF)[nH+]c2c1 107255685 573444789 /nfs/dbraw/zinc/44/47/89/573444789.db2.gz JREPFHAMFHHGJX-UHFFFAOYSA-N 0 0 193.225 2.047 10 0 AEAERN C[C@H]1C=C(c2ccccc2)OC1=O 136598305 573444804 /nfs/dbraw/zinc/44/48/04/573444804.db2.gz BFVMDXITKUGNDP-QMMMGPOBSA-N 0 0 174.199 2.220 10 0 AEAERN Nc1cc(Cl)c(C2CCC2)[nH]c1=O 257813728 573444819 /nfs/dbraw/zinc/44/48/19/573444819.db2.gz AZANNZCCBDPIDO-UHFFFAOYSA-N 0 0 198.653 2.290 10 0 AEAERN OC1(C[C@H]2CCCCO2)CCCC1 258023232 573444839 /nfs/dbraw/zinc/44/48/39/573444839.db2.gz NNKDVUYLLMWCPW-SNVBAGLBSA-N 0 0 184.279 2.251 10 0 AEAERN O=Cc1oncc1C1CCCC1 257816541 573449009 /nfs/dbraw/zinc/44/90/09/573449009.db2.gz BVVVPUUBQBIBSL-UHFFFAOYSA-N 0 0 165.192 2.145 10 0 AEAERN CS[C@@]1(C)C(=O)CC[C@@H]1C 238398667 573449023 /nfs/dbraw/zinc/44/90/23/573449023.db2.gz JKERZQGQDIWLBZ-POYBYMJQSA-N 0 0 158.266 2.107 10 0 AEAERN OCCc1cc(C2CCCCC2)no1 83187251 573446974 /nfs/dbraw/zinc/44/69/74/573446974.db2.gz ALQCCWZIWCMOMI-UHFFFAOYSA-N 0 0 195.262 2.257 10 0 AEAERN C[C@@H](C[C@@H](C)O)C1(O)CCCCC1 238398278 573446998 /nfs/dbraw/zinc/44/69/98/573446998.db2.gz JDYFDZTWTFVBRO-VHSXEESVSA-N 0 0 186.295 2.089 10 0 AEAERN Cc1nc(C=O)sc1[C@H](C)F 107256273 573447026 /nfs/dbraw/zinc/44/70/26/573447026.db2.gz RUQMQRMZHDIZPY-BYPYZUCNSA-N 0 0 173.212 2.295 10 0 AEAERN CSC(=S)C(=O)C(C)(C)C 238405904 573447035 /nfs/dbraw/zinc/44/70/35/573447035.db2.gz UCEYAVZSKHXXBH-UHFFFAOYSA-N 0 0 176.306 2.292 10 0 AEAERN CS[C@]1(C)CCC[C@@H](C)C1=O 238398581 573447040 /nfs/dbraw/zinc/44/70/40/573447040.db2.gz NEAFWGKXOTZULN-VXNVDRBHSA-N 0 0 172.293 2.497 10 0 AEAERN Cc1coc([C@]2(O)CC[C@H]3C[C@H]32)c1 715808158 573447102 /nfs/dbraw/zinc/44/71/02/573447102.db2.gz RPCPIWZYTWOVKO-NGZCFLSTSA-N 0 0 178.231 2.206 10 0 AEAERN Nc1ccc2c(c1)[C@H](F)CC2 107255586 573447127 /nfs/dbraw/zinc/44/71/27/573447127.db2.gz FVFCNFLDIRYXQK-SECBINFHSA-N 0 0 151.184 2.226 10 0 AEAERN CCc1ccccc1C1(CO)CC1 257816509 573447393 /nfs/dbraw/zinc/44/73/93/573447393.db2.gz BUFSOAJPEGWMHD-UHFFFAOYSA-N 0 0 176.259 2.273 10 0 AEAERN Cn1cc(F)c2cc(C=O)ccc21 257816222 573447140 /nfs/dbraw/zinc/44/71/40/573447140.db2.gz DCJPMCYVRWDOAM-UHFFFAOYSA-N 0 0 177.178 2.130 10 0 AEAERN COc1cc2cnsc2cc1F 238405992 573447144 /nfs/dbraw/zinc/44/71/44/573447144.db2.gz OUNBTWNLJXVGSY-UHFFFAOYSA-N 0 0 183.207 2.444 10 0 AEAERN O[C@H](COC1CCC1)c1ccccc1 50521315 573447206 /nfs/dbraw/zinc/44/72/06/573447206.db2.gz TVKNCFBZYRXWFB-GFCCVEGCSA-N 0 0 192.258 2.289 10 0 AEAERN Cc1coc([C@](C)(O)c2ccoc2)c1 715806944 573447354 /nfs/dbraw/zinc/44/73/54/573447354.db2.gz MTLHSDFSXPFMQH-LLVKDONJSA-N 0 0 192.214 2.437 10 0 AEAERN CCc1cc(C=O)nn1C(C)(C)C 257816230 573447360 /nfs/dbraw/zinc/44/73/60/573447360.db2.gz DCQUQHDXFZLTPS-UHFFFAOYSA-N 0 0 180.251 2.013 10 0 AEAERN CC1=C([NH+]2CCOCC2)CCCC1 136033977 573447521 /nfs/dbraw/zinc/44/75/21/573447521.db2.gz RLJHBKJMCSBWAU-UHFFFAOYSA-N 0 0 181.279 2.167 10 0 AEAERN COc1cc2c(c(C)c1C)CC[C@H]2O 238398954 573447562 /nfs/dbraw/zinc/44/75/62/573447562.db2.gz ZTYXPPJALMYUCX-LLVKDONJSA-N 0 0 192.258 2.292 10 0 AEAERN C[C@@H](O)C[C@H](F)c1ccccc1 238398981 573447725 /nfs/dbraw/zinc/44/77/25/573447725.db2.gz ANKGFPNGJNALNE-SCZZXKLOSA-N 0 0 168.211 2.468 10 0 AEAERN CCSCCCn1cccc1C=O 130058881 573447776 /nfs/dbraw/zinc/44/77/76/573447776.db2.gz SXEDVRIADSMAEM-UHFFFAOYSA-N 0 0 197.303 2.444 10 0 AEAERN C[C@@H](O)c1ccc(-c2ccncc2)o1 238399184 573447810 /nfs/dbraw/zinc/44/78/10/573447810.db2.gz RRJRNUQIFZWVQR-MRVPVSSYSA-N 0 0 189.214 2.395 10 0 AEAERN O[C@@H](COC1CCC1)c1ccccc1 50521316 573447814 /nfs/dbraw/zinc/44/78/14/573447814.db2.gz TVKNCFBZYRXWFB-LBPRGKRZSA-N 0 0 192.258 2.289 10 0 AEAERN Cc1coc([C@]2(O)CC[C@@H]3C[C@@H]32)c1 715808161 573447849 /nfs/dbraw/zinc/44/78/49/573447849.db2.gz RPCPIWZYTWOVKO-YWVKMMECSA-N 0 0 178.231 2.206 10 0 AEAERN CC1=C[C@@H](C)[C@H]2CC(=O)[C@@H]1C2 238398747 573447862 /nfs/dbraw/zinc/44/78/62/573447862.db2.gz YCXUXIGUFJSALQ-FTLITQJKSA-N 0 0 150.221 2.178 10 0 AEAERN CCC[C@@H](O)[C@@H](CC)OC1CCC1 50521200 573447902 /nfs/dbraw/zinc/44/79/02/573447902.db2.gz XVKAELJCFYYMAO-GHMZBOCLSA-N 0 0 186.295 2.495 10 0 AEAERN Cc1ccc([C@@H](C)ON)s1 259452156 573447922 /nfs/dbraw/zinc/44/79/22/573447922.db2.gz MCJZSEYPXYAEEG-ZCFIWIBFSA-N 0 0 157.238 2.008 10 0 AEAERN Cc1nc(C=O)sc1C(C)(F)F 107256266 573448010 /nfs/dbraw/zinc/44/80/10/573448010.db2.gz NNCFECJSENYZJV-UHFFFAOYSA-N 0 0 191.202 2.376 10 0 AEAERN CS/C=C(/C)CCCO 238398663 573448040 /nfs/dbraw/zinc/44/80/40/573448040.db2.gz HNXLRLCQRKJMII-SREVYHEPSA-N 0 0 146.255 2.026 10 0 AEAERN Nc1cccc2[nH]nc(C3CCC3)c12 257816243 573448067 /nfs/dbraw/zinc/44/80/67/573448067.db2.gz DDIZIWWYWWCJCH-UHFFFAOYSA-N 0 0 187.246 2.413 10 0 AEAERN CC1=C(CO)[C@H]([C@@H](C)CCCO)CC1 308588624 573448074 /nfs/dbraw/zinc/44/80/74/573448074.db2.gz NKEZRCSEZNKBBH-ONGXEEELSA-N 0 0 198.306 2.114 10 0 AEAERN Cc1nc(N)sc1C(C)(F)F 107256253 573448076 /nfs/dbraw/zinc/44/80/76/573448076.db2.gz MIIXJSXJQGFCTA-UHFFFAOYSA-N 0 0 178.207 2.145 10 0 AEAERN CC(C)Cc1ccc(O)cc1N 258657525 573448126 /nfs/dbraw/zinc/44/81/26/573448126.db2.gz ZZVGRMLSVPNQOB-UHFFFAOYSA-N 0 0 165.236 2.173 10 0 AEAERN C[C@H]1CN[C@](C)(c2ccccc2F)O1 258658015 573448239 /nfs/dbraw/zinc/44/82/39/573448239.db2.gz SKXSBRNJFBXYCP-KWQFWETISA-N 0 0 195.237 2.007 10 0 AEAERN CC(C)=C[C@@H](C)C[C@@H](C)O 238398308 573448310 /nfs/dbraw/zinc/44/83/10/573448310.db2.gz SOJJOVXNPQHJKM-RKDXNWHRSA-N 0 0 142.242 2.360 10 0 AEAERN Cc1ocnc1-c1ccc(CO)cc1 257811267 573448356 /nfs/dbraw/zinc/44/83/56/573448356.db2.gz BBDBSHRIMMDXPP-UHFFFAOYSA-N 0 0 189.214 2.142 10 0 AEAERN C[C@H]1CN[C@@](C)(c2ccccc2F)O1 258658006 573448432 /nfs/dbraw/zinc/44/84/32/573448432.db2.gz SKXSBRNJFBXYCP-GZMMTYOYSA-N 0 0 195.237 2.007 10 0 AEAERN FCCCc1nc2ccccc2[nH]1 107255627 573448460 /nfs/dbraw/zinc/44/84/60/573448460.db2.gz YQLXLNUACURXJS-UHFFFAOYSA-N 0 0 178.210 2.465 10 0 AEAERN Cc1ccccc1CN(C)C(=O)S 258654284 573448569 /nfs/dbraw/zinc/44/85/69/573448569.db2.gz HHENIGUBWYBVMB-UHFFFAOYSA-N 0 0 195.287 2.477 10 0 AEAERN C[C@@H]1CCC2(CCCCC2)C(=O)N1 238398878 573448594 /nfs/dbraw/zinc/44/85/94/573448594.db2.gz VQDBVLVXCDJIHW-SECBINFHSA-N 0 0 181.279 2.235 10 0 AEAERN COc1ccc(N)c(CCC(C)C)n1 308589500 573448612 /nfs/dbraw/zinc/44/86/12/573448612.db2.gz OANVZIACUJHSBK-UHFFFAOYSA-N 0 0 194.278 2.261 10 0 AEAERN Nc1c(O)cccc1CC1CCC1 257816209 573448649 /nfs/dbraw/zinc/44/86/49/573448649.db2.gz DBSCTVOKAZIWJL-UHFFFAOYSA-N 0 0 177.247 2.317 10 0 AEAERN CC1=C(CO)[C@@H]([C@H](C)CCCO)CC1 308588623 573448730 /nfs/dbraw/zinc/44/87/30/573448730.db2.gz NKEZRCSEZNKBBH-MWLCHTKSSA-N 0 0 198.306 2.114 10 0 AEAERN COC[C@@]1(C)Cc2cccc(C)c2N1 258352321 573451206 /nfs/dbraw/zinc/45/12/06/573451206.db2.gz YPSXOHXXLGNBTN-GFCCVEGCSA-N 0 0 191.274 2.368 10 0 AEAERN CS[C@]1(C)CCC[C@H](C)C1=O 238398600 573448878 /nfs/dbraw/zinc/44/88/78/573448878.db2.gz NEAFWGKXOTZULN-IONNQARKSA-N 0 0 172.293 2.497 10 0 AEAERN C[C@@H]1CCC2(CC2)C(=O)C1 238398655 573448950 /nfs/dbraw/zinc/44/89/50/573448950.db2.gz GPSFBAKDPJLBTI-SSDOTTSWSA-N 0 0 138.210 2.156 10 0 AEAERN O=Cc1nc2c(s1)[C@@H](F)CCC2 107257401 573451397 /nfs/dbraw/zinc/45/13/97/573451397.db2.gz XRFPVNKWUYEGCU-YFKPBYRVSA-N 0 0 185.223 2.303 10 0 AEAERN CCn1c(COC(C)C)cnc1C 258351900 573448977 /nfs/dbraw/zinc/44/89/77/573448977.db2.gz YNZUCHZGLDHMMD-UHFFFAOYSA-N 0 0 182.267 2.136 10 0 AEAERN CC(C)Cc1c(C(C)C)c(N)nn1C 257816365 573448982 /nfs/dbraw/zinc/44/89/82/573448982.db2.gz DJRMUZGXDWLNSR-UHFFFAOYSA-N 0 0 195.310 2.324 10 0 AEAERN Cc1ccccc1-c1cc(=O)[nH]n1C 257816329 573449004 /nfs/dbraw/zinc/44/90/04/573449004.db2.gz DIBGHELCWPODJI-UHFFFAOYSA-N 0 0 188.230 2.101 10 0 AEAERN CCC[C@H](O)c1cccc(C)c1N 257816194 573449086 /nfs/dbraw/zinc/44/90/86/573449086.db2.gz DBHRTDIBPQPFFD-JTQLQIEISA-N 0 0 179.263 2.411 10 0 AEAERN CC1=C[C@@H](C)n2nc(C)cc2N1 238398509 573449103 /nfs/dbraw/zinc/44/91/03/573449103.db2.gz BKAMQXVJTIWDSK-MRVPVSSYSA-N 0 0 163.224 2.082 10 0 AEAERN O=Cc1ccc2c(c1)[C@H](F)CC2 107257196 573449142 /nfs/dbraw/zinc/44/91/42/573449142.db2.gz XFLLESXOXITDBW-SNVBAGLBSA-N 0 0 164.179 2.456 10 0 AEAERN Nc1cc(O)c2c(F)cccc2c1 257816182 573449166 /nfs/dbraw/zinc/44/91/66/573449166.db2.gz DAXJOFNQAUUGDC-UHFFFAOYSA-N 0 0 177.178 2.267 10 0 AEAERN COc1cccc2cnnc(Cl)c12 238406061 573449176 /nfs/dbraw/zinc/44/91/76/573449176.db2.gz KYSAOPIBZIYDCI-UHFFFAOYSA-N 0 0 194.621 2.292 10 0 AEAERN CCOc1cnn(-c2ccccc2)c1 258346472 573449183 /nfs/dbraw/zinc/44/91/83/573449183.db2.gz FKQZHQCGLMWHSX-UHFFFAOYSA-N 0 0 188.230 2.271 10 0 AEAERN CC(C)c1cc(=O)[nH]n1C(C)(C)C 257816734 573449203 /nfs/dbraw/zinc/44/92/03/573449203.db2.gz DJNZULPAMXBIPU-UHFFFAOYSA-N 0 0 182.267 2.467 10 0 AEAERN Nc1cc(O)c2cccc(F)c2c1 257816196 573449211 /nfs/dbraw/zinc/44/92/11/573449211.db2.gz DBJRXRIXQRZYLW-UHFFFAOYSA-N 0 0 177.178 2.267 10 0 AEAERN CC(C)c1nc2n(n1)[C@@H](C)CCC2 258347636 573449215 /nfs/dbraw/zinc/44/92/15/573449215.db2.gz LFDAZRPSKTVNJM-QMMMGPOBSA-N 0 0 179.267 2.299 10 0 AEAERN CCCN1CCc2c(C=O)cccc21 258351441 573449271 /nfs/dbraw/zinc/44/92/71/573449271.db2.gz ZLKWNUMJIARYMS-UHFFFAOYSA-N 0 0 189.258 2.272 10 0 AEAERN COc1cc(O)cnc1C(C)(C)C 238398472 573449343 /nfs/dbraw/zinc/44/93/43/573449343.db2.gz WDZCACJTSVCUCG-UHFFFAOYSA-N 0 0 181.235 2.093 10 0 AEAERN C[C@@H](O)[C@@H](C)C1SCCCS1 238406258 573449431 /nfs/dbraw/zinc/44/94/31/573449431.db2.gz XJYGMYAPUROBRC-RNFRBKRXSA-N 0 0 192.349 2.200 10 0 AEAERN Oc1ccc2c(c1)C1(CCN2)CC1 257816659 573449355 /nfs/dbraw/zinc/44/93/55/573449355.db2.gz DFKVJZXUVKHOMJ-UHFFFAOYSA-N 0 0 175.231 2.239 10 0 AEAERN Cc1ccc([C@H](C)ON)s1 259452155 573449361 /nfs/dbraw/zinc/44/93/61/573449361.db2.gz MCJZSEYPXYAEEG-LURJTMIESA-N 0 0 157.238 2.008 10 0 AEAERN COc1cccc2c1CCCC[C@@H]2O 238399098 573449373 /nfs/dbraw/zinc/44/93/73/573449373.db2.gz LPHJMIFHQHNODS-NSHDSACASA-N 0 0 192.258 2.455 10 0 AEAERN Cc1nc(C2CCC(O)CC2)cs1 259453462 573449384 /nfs/dbraw/zinc/44/93/84/573449384.db2.gz XVVPRFHQFLJZGS-UHFFFAOYSA-N 0 0 197.303 2.470 10 0 AEAERN COC[C@]1(C)Cc2cccc(C)c2N1 258352334 573449399 /nfs/dbraw/zinc/44/93/99/573449399.db2.gz YPSXOHXXLGNBTN-LBPRGKRZSA-N 0 0 191.274 2.368 10 0 AEAERN CC(C)(C)C(=O)COC1CCC1 50520744 573449495 /nfs/dbraw/zinc/44/94/95/573449495.db2.gz UQXVXZLAOAIZAY-UHFFFAOYSA-N 0 0 170.252 2.171 10 0 AEAERN CS/C=C/[C@@H](C)CCCO 238398746 573449566 /nfs/dbraw/zinc/44/95/66/573449566.db2.gz VCGIRZZUZVQGSI-IVGLGHLBSA-N 0 0 160.282 2.272 10 0 AEAERN C[C@@H]1C=CC[C@@H]1NC(=O)OC(C)(C)C 238401712 573451728 /nfs/dbraw/zinc/45/17/28/573451728.db2.gz ZSDGAFLNSMWADX-BDAKNGLRSA-N 0 0 197.278 2.476 10 0 AEAERN Nc1ccc([C@H](O)CCCCF)cc1 308588204 573449648 /nfs/dbraw/zinc/44/96/48/573449648.db2.gz JGGBKDALPATWFE-LLVKDONJSA-N 0 0 197.253 2.442 10 0 AEAERN Clc1cnnc([C@@H]2CCCCO2)c1 259449998 573449700 /nfs/dbraw/zinc/44/97/00/573449700.db2.gz MJEREQUSKCJTGO-VIFPVBQESA-N 0 0 198.653 2.372 10 0 AEAERN NN[C@H](C1=CCCCC1)c1ccco1 236221745 573449725 /nfs/dbraw/zinc/44/97/25/573449725.db2.gz DGVZSHCLKZDODK-LLVKDONJSA-N 0 0 192.262 2.284 10 0 AEAERN Cc1coc([C@H](O)C(C)C)c1 715808547 573449730 /nfs/dbraw/zinc/44/97/30/573449730.db2.gz UWLDSFVMNQUDNF-SECBINFHSA-N 0 0 154.209 2.277 10 0 AEAERN CC1=C(CO)[C@@H]([C@@H](C)CCCO)CC1 308588621 573449751 /nfs/dbraw/zinc/44/97/51/573449751.db2.gz NKEZRCSEZNKBBH-GXSJLCMTSA-N 0 0 198.306 2.114 10 0 AEAERN CCSCCn1cccc1C(C)=O 130060696 573449796 /nfs/dbraw/zinc/44/97/96/573449796.db2.gz JRNXNWYWRFPEMK-UHFFFAOYSA-N 0 0 197.303 2.444 10 0 AEAERN c1cnnc(C[C@@H]2CCCSC2)c1 259450020 573451690 /nfs/dbraw/zinc/45/16/90/573451690.db2.gz MKDLIODHUGAYIH-VIFPVBQESA-N 0 0 194.303 2.162 10 0 AEAERN CCSCCn1ccc([C@H](C)O)c1 130075379 573449863 /nfs/dbraw/zinc/44/98/63/573449863.db2.gz NPVBADRSQYGBGX-VIFPVBQESA-N 0 0 199.319 2.295 10 0 AEAERN CC(C)c1nc2n(n1)[C@H](C)CCC2 258347632 573449888 /nfs/dbraw/zinc/44/98/88/573449888.db2.gz LFDAZRPSKTVNJM-MRVPVSSYSA-N 0 0 179.267 2.299 10 0 AEAERN CC(C)OCOc1ccc(N)c(F)c1 308589325 573451697 /nfs/dbraw/zinc/45/16/97/573451697.db2.gz JPLIPKDDLVOWMR-UHFFFAOYSA-N 0 0 199.225 2.169 10 0 AEAERN COc1ccc(O)c2c1OCCCC2 238398370 573450007 /nfs/dbraw/zinc/45/00/07/573450007.db2.gz HKXFSCYWRNGELW-UHFFFAOYSA-N 0 0 194.230 2.116 10 0 AEAERN CO[C@@H]1CCCCC1(F)F 107257955 573450009 /nfs/dbraw/zinc/45/00/09/573450009.db2.gz UJZHVASRETWYEC-ZCFIWIBFSA-N 0 0 150.168 2.211 10 0 AEAERN COc1cc(=O)[nH]c(C(F)F)c1C 238398942 573450060 /nfs/dbraw/zinc/45/00/60/573450060.db2.gz SQHIWRDUYDKTHL-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN FC(F)c1ccc2c(c1)NCCO2 107257831 573450111 /nfs/dbraw/zinc/45/01/11/573450111.db2.gz IHGNTOAZCPNTEB-UHFFFAOYSA-N 0 0 185.173 2.429 10 0 AEAERN Nc1ccc([C@@H](O)CCCCF)cc1 308588205 573450166 /nfs/dbraw/zinc/45/01/66/573450166.db2.gz JGGBKDALPATWFE-NSHDSACASA-N 0 0 197.253 2.442 10 0 AEAERN CC(=O)CCCCOC1CCC1 50520720 573450218 /nfs/dbraw/zinc/45/02/18/573450218.db2.gz PSFXLBKSMJHQPO-UHFFFAOYSA-N 0 0 170.252 2.315 10 0 AEAERN Nc1cc(F)ccc1Nc1cc[nH]c1 258660619 573450241 /nfs/dbraw/zinc/45/02/41/573450241.db2.gz AUNKPLQPARYSOY-UHFFFAOYSA-N 0 0 191.209 2.480 10 0 AEAERN CCc1cccc(CO)c1C 142561573 573450258 /nfs/dbraw/zinc/45/02/58/573450258.db2.gz OCDGENVBNLMBMK-UHFFFAOYSA-N 0 0 150.221 2.050 10 0 AEAERN CS[C@]1(C)CCCCC1=O 238398498 573450271 /nfs/dbraw/zinc/45/02/71/573450271.db2.gz FJTSYWBZLUJJAC-MRVPVSSYSA-N 0 0 158.266 2.251 10 0 AEAERN Nc1nc2c(s1)[C@@H](F)CCC2 107257394 573450316 /nfs/dbraw/zinc/45/03/16/573450316.db2.gz KOGWMTUGCDDCPF-BYPYZUCNSA-N 0 0 172.228 2.072 10 0 AEAERN CC(=O)Cc1coc2cccc(O)c12 258351837 573450382 /nfs/dbraw/zinc/45/03/82/573450382.db2.gz YNLAOLKLJNLZMM-UHFFFAOYSA-N 0 0 190.198 2.270 10 0 AEAERN COc1cccc(OC2CCCC2)n1 238398442 573450405 /nfs/dbraw/zinc/45/04/05/573450405.db2.gz XYGWWEIHQVCWON-UHFFFAOYSA-N 0 0 193.246 2.412 10 0 AEAERN O=Cc1ccc2c(c1)C(F)(F)CCO2 107257121 573450414 /nfs/dbraw/zinc/45/04/14/573450414.db2.gz PHGQVCCDCPBQQL-UHFFFAOYSA-N 0 0 198.168 2.373 10 0 AEAERN COC(=O)CC1C[C@H]2CCC[C@@H]2C1 78370343 573451710 /nfs/dbraw/zinc/45/17/10/573451710.db2.gz SGIFESXYPZTATN-NXEZZACHSA-N 0 0 182.263 2.376 10 0 AEAERN Clc1cnnc([C@H]2CCCCO2)c1 259449997 573450466 /nfs/dbraw/zinc/45/04/66/573450466.db2.gz MJEREQUSKCJTGO-SECBINFHSA-N 0 0 198.653 2.372 10 0 AEAERN Nc1ccc2c(c1)[C@H](F)CCO2 107256703 573450495 /nfs/dbraw/zinc/45/04/95/573450495.db2.gz RBWHFRPVDKZPLE-MRVPVSSYSA-N 0 0 167.183 2.062 10 0 AEAERN FCc1ccncc1Br 107259560 573450521 /nfs/dbraw/zinc/45/05/21/573450521.db2.gz HPOXMKQTZRNVHX-UHFFFAOYSA-N 0 0 190.015 2.314 10 0 AEAERN CC1=C(CO)[C@H]([C@H](C)CCCO)CC1 308588622 573450541 /nfs/dbraw/zinc/45/05/41/573450541.db2.gz NKEZRCSEZNKBBH-KOLCDFICSA-N 0 0 198.306 2.114 10 0 AEAERN CC1=C[C@@H](O)CC(C)(C)[C@@H]1C 142511304 573450555 /nfs/dbraw/zinc/45/05/55/573450555.db2.gz AGHRHRLKIQKDOE-RKDXNWHRSA-N 0 0 154.253 2.360 10 0 AEAERN O=C(COC1CCC1)c1ccccc1 50520787 573450577 /nfs/dbraw/zinc/45/05/77/573450577.db2.gz KGLVPWMJMZNFSG-UHFFFAOYSA-N 0 0 190.242 2.438 10 0 AEAERN Cc1nn(C)c2c(C)c(C=O)ccc12 259452872 573450610 /nfs/dbraw/zinc/45/06/10/573450610.db2.gz QCUVWPANDSXGAM-UHFFFAOYSA-N 0 0 188.230 2.003 10 0 AEAERN COc1ccc([C@H](F)CCO)cc1 257817085 573450623 /nfs/dbraw/zinc/45/06/23/573450623.db2.gz DNGNSCWURCEDBD-SNVBAGLBSA-N 0 0 184.210 2.088 10 0 AEAERN OCc1cccc(C2=CCSC2)c1 142560685 573450688 /nfs/dbraw/zinc/45/06/88/573450688.db2.gz PLQHJCSEGRGBCM-UHFFFAOYSA-N 0 0 192.283 2.309 10 0 AEAERN c1cnnc(C[C@H]2CCCSC2)c1 259450019 573450709 /nfs/dbraw/zinc/45/07/09/573450709.db2.gz MKDLIODHUGAYIH-SECBINFHSA-N 0 0 194.303 2.162 10 0 AEAERN Cc1coc([C@H](O)C2CCC2)c1 715808538 573450829 /nfs/dbraw/zinc/45/08/29/573450829.db2.gz UVJSARVOXFCTGB-SNVBAGLBSA-N 0 0 166.220 2.422 10 0 AEAERN CCC(=O)c1ccn(CCSC)c1 130062244 573450835 /nfs/dbraw/zinc/45/08/35/573450835.db2.gz UULGAUODMGVGKP-UHFFFAOYSA-N 0 0 197.303 2.444 10 0 AEAERN OCc1cccc([C@@H]2CCSC2)c1 142535104 573450886 /nfs/dbraw/zinc/45/08/86/573450886.db2.gz IDURWHWOMJTEJO-LLVKDONJSA-N 0 0 194.299 2.399 10 0 AEAERN CCSCCCn1cccc1CO 130071399 573450894 /nfs/dbraw/zinc/45/08/94/573450894.db2.gz SOTCBHVNASNMIM-UHFFFAOYSA-N 0 0 199.319 2.124 10 0 AEAERN Cc1coc([C@@H](O)C2CCC2)c1 715808534 573450926 /nfs/dbraw/zinc/45/09/26/573450926.db2.gz UVJSARVOXFCTGB-JTQLQIEISA-N 0 0 166.220 2.422 10 0 AEAERN CCc1nc2c(Cl)ccnc2[nH]1 142572215 573450943 /nfs/dbraw/zinc/45/09/43/573450943.db2.gz DFNKCKCDKZPFFJ-UHFFFAOYSA-N 0 0 181.626 2.174 10 0 AEAERN CSCCn1cccc1C(C)=O 130060461 573450999 /nfs/dbraw/zinc/45/09/99/573450999.db2.gz KFTNJLOAWRMXGP-UHFFFAOYSA-N 0 0 183.276 2.054 10 0 AEAERN CCCc1coc(NCCCOC)n1 308588948 573451019 /nfs/dbraw/zinc/45/10/19/573451019.db2.gz JMRFQKHAFKIESQ-UHFFFAOYSA-N 0 0 198.266 2.076 10 0 AEAERN OCC(F)(F)CC1CCSCC1 257816775 573451244 /nfs/dbraw/zinc/45/12/44/573451244.db2.gz DNGKUWXUOSGGNQ-UHFFFAOYSA-N 0 0 196.262 2.147 10 0 AEAERN O=Cc1ccc2c(c1)[C@H](F)CCO2 107256711 573451281 /nfs/dbraw/zinc/45/12/81/573451281.db2.gz XXSANBQVRKXKEE-SECBINFHSA-N 0 0 180.178 2.292 10 0 AEAERN C/C=C\[C@H](O)C1(OC)[C@H]2CCCC[C@H]21 308587532 573451294 /nfs/dbraw/zinc/45/12/94/573451294.db2.gz MZRFILPALGIJON-YKIWFLMFSA-N 0 0 196.290 2.129 10 0 AEAERN CCC[C@H](O)[C@@H](CC)OC1CCC1 50521199 573451374 /nfs/dbraw/zinc/45/13/74/573451374.db2.gz XVKAELJCFYYMAO-WDEREUQCSA-N 0 0 186.295 2.495 10 0 AEAERN CC1=CC[C@@H]([C@H](C)O)CC1 142501570 573451436 /nfs/dbraw/zinc/45/14/36/573451436.db2.gz GLBZSENPZLIMDY-DTWKUNHWSA-N 0 0 140.226 2.114 10 0 AEAERN CCSCCn1cccc1[C@H](C)O 130073784 573451457 /nfs/dbraw/zinc/45/14/57/573451457.db2.gz VLLJBZHUJCVSKA-VIFPVBQESA-N 0 0 199.319 2.295 10 0 AEAERN C/C=C1\[C@H](O)C[C@@H]2CCC(=O)C[C@@]12C 308587994 573451584 /nfs/dbraw/zinc/45/15/84/573451584.db2.gz NDIRASWDKGGVHZ-URZAGPCJSA-N 0 0 194.274 2.073 10 0 AEAERN O=Cc1nc2c(s1)[C@H](F)CCC2 107257398 573451632 /nfs/dbraw/zinc/45/16/32/573451632.db2.gz XRFPVNKWUYEGCU-RXMQYKEDSA-N 0 0 185.223 2.303 10 0 AEAERN CCCC1(C(=O)c2cnccn2)CC1 308589775 573452230 /nfs/dbraw/zinc/45/22/30/573452230.db2.gz JXBHAMGNPZHTGA-UHFFFAOYSA-N 0 0 190.246 2.240 10 0 AEAERN CC(=O)[C@@H](C)C1=CCCC1 142573843 573452248 /nfs/dbraw/zinc/45/22/48/573452248.db2.gz LWRPKPZROMCISR-SSDOTTSWSA-N 0 0 138.210 2.322 10 0 AEAERN C[C@@H](O)C[C@H]1SN1c1ccccc1 238400782 573452269 /nfs/dbraw/zinc/45/22/69/573452269.db2.gz HISUECLVXNNYDP-TZIJJQLOSA-N 0 0 195.287 2.252 10 0 AEAERN O=Cc1ccc2c(c1)[C@@H](F)CC2 107257200 573452291 /nfs/dbraw/zinc/45/22/91/573452291.db2.gz XFLLESXOXITDBW-JTQLQIEISA-N 0 0 164.179 2.456 10 0 AEAERN CC(=O)C[C@@H](F)c1ccc(N)cc1 107260467 573452312 /nfs/dbraw/zinc/45/23/12/573452312.db2.gz GREXOTKSXXDLLS-SNVBAGLBSA-N 0 0 181.210 2.259 10 0 AEAERN O=c1[nH]nc(C2CCC2)cc1Cl 259452211 573452321 /nfs/dbraw/zinc/45/23/21/573452321.db2.gz MNWLFTNVXSBUCV-UHFFFAOYSA-N 0 0 184.626 2.103 10 0 AEAERN C[C@H](F)C[C@@H](C)F 107260783 573452363 /nfs/dbraw/zinc/45/23/63/573452363.db2.gz XCOBDKDPJMSNPJ-SYDPRGILSA-N 0 0 108.131 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195.306 2.135 10 0 AEAERN CCSCCCn1ccc(CO)c1 130072331 573452575 /nfs/dbraw/zinc/45/25/75/573452575.db2.gz ZUXGRNMDWXIKNV-UHFFFAOYSA-N 0 0 199.319 2.124 10 0 AEAERN CCC[C@H](O)c1ccc(OC)cc1N 257817208 573452641 /nfs/dbraw/zinc/45/26/41/573452641.db2.gz DRBYOAMKEGTWPN-NSHDSACASA-N 0 0 195.262 2.111 10 0 AEAERN CC1=C[C@H](O)CC(C)(C)[C@H]1C 142511098 573452714 /nfs/dbraw/zinc/45/27/14/573452714.db2.gz AGHRHRLKIQKDOE-IUCAKERBSA-N 0 0 154.253 2.360 10 0 AEAERN CSCCn1ccc(C(C)=O)c1 130061327 573452740 /nfs/dbraw/zinc/45/27/40/573452740.db2.gz MIBPNFLJQQPUNG-UHFFFAOYSA-N 0 0 183.276 2.054 10 0 AEAERN C/C=C\Oc1ccc(C=O)cc1 215212723 573452870 /nfs/dbraw/zinc/45/28/70/573452870.db2.gz BPUWUQCDBVUQFV-UQCOIBPSSA-N 0 0 162.188 2.412 10 0 AEAERN C=Cc1cnc2cnccc2c1 142539650 573452882 /nfs/dbraw/zinc/45/28/82/573452882.db2.gz BUGWOWJCIGRBMB-UHFFFAOYSA-N 0 0 156.188 2.273 10 0 AEAERN CC(C)n1nc(N)c2c1CC[C@H]2F 257817006 573452890 /nfs/dbraw/zinc/45/28/90/573452890.db2.gz DLMDECBXPDEWOA-ZCFIWIBFSA-N 0 0 183.230 2.003 10 0 AEAERN CSCCCn1ccc(C(C)=O)c1 130061793 573452894 /nfs/dbraw/zinc/45/28/94/573452894.db2.gz PZKBVWHEMBKGJD-UHFFFAOYSA-N 0 0 197.303 2.444 10 0 AEAERN CCC[C@@H](O)c1ccc(OC)cc1N 257817206 573452923 /nfs/dbraw/zinc/45/29/23/573452923.db2.gz DRBYOAMKEGTWPN-LLVKDONJSA-N 0 0 195.262 2.111 10 0 AEAERN O=Cc1n[nH]cc1-c1cccc(F)c1 257816958 573452983 /nfs/dbraw/zinc/45/29/83/573452983.db2.gz BWDGENICUHLWHW-UHFFFAOYSA-N 0 0 190.177 2.028 10 0 AEAERN CC1=CC[C@H]([C@H](C)O)CC1 142501395 573452988 /nfs/dbraw/zinc/45/29/88/573452988.db2.gz GLBZSENPZLIMDY-IUCAKERBSA-N 0 0 140.226 2.114 10 0 AEAERN CO[C@H]1CCCCC1(F)F 107257958 573453153 /nfs/dbraw/zinc/45/31/53/573453153.db2.gz UJZHVASRETWYEC-LURJTMIESA-N 0 0 150.168 2.211 10 0 AEAERN Cc1csc(C)c1CN(C)O 83271762 573453030 /nfs/dbraw/zinc/45/30/30/573453030.db2.gz VNYBEHKAMUSOGY-UHFFFAOYSA-N 0 0 171.265 2.186 10 0 AEAERN Cc1ccc(C2C(=O)C=NN2C)cc1 257817254 573453078 /nfs/dbraw/zinc/45/30/78/573453078.db2.gz DTFIAFWQBLTSAG-UHFFFAOYSA-N 0 0 188.230 2.101 10 0 AEAERN C[C@@H](F)C[C@@H](C)F 107260786 573453083 /nfs/dbraw/zinc/45/30/83/573453083.db2.gz XCOBDKDPJMSNPJ-RFZPGFLSSA-N 0 0 108.131 2.093 10 0 AEAERN CC(C)Cc1ccc2[nH]c(=O)[nH]c2c1 142556986 573453222 /nfs/dbraw/zinc/45/32/22/573453222.db2.gz VPPBTBPOZNPSCP-UHFFFAOYSA-N 0 0 190.246 2.055 10 0 AEAERN CSCCCn1cccc1[C@@H](C)O 130074976 573454097 /nfs/dbraw/zinc/45/40/97/573454097.db2.gz HBOMFTOXISXCCK-SECBINFHSA-N 0 0 199.319 2.295 10 0 AEAERN Cc1cc(CNO)c2ccccc2n1 83277068 573454171 /nfs/dbraw/zinc/45/41/71/573454171.db2.gz MCMNLGDZXZOPGJ-UHFFFAOYSA-N 0 0 188.230 2.022 10 0 AEAERN COc1[nH]cc(C)c2cccc(=O)c1-2 258365775 573454181 /nfs/dbraw/zinc/45/41/81/573454181.db2.gz WUOBGDFIYUBOGZ-UHFFFAOYSA-N 0 0 189.214 2.257 10 0 AEAERN Nc1ccc2c(c1)[C@@H](F)CCO2 107256707 573454190 /nfs/dbraw/zinc/45/41/90/573454190.db2.gz RBWHFRPVDKZPLE-QMMMGPOBSA-N 0 0 167.183 2.062 10 0 AEAERN COC(=O)C/C=C/c1cccs1 200055688 573454269 /nfs/dbraw/zinc/45/42/69/573454269.db2.gz 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/nfs/dbraw/zinc/45/50/75/573455075.db2.gz RMWKHKRDKNECHP-UHFFFAOYSA-N 0 0 199.213 2.177 10 0 AEAERN CC1=C(C)[C@H]([C@](C)(O)CCCO)CC1 308591074 573454869 /nfs/dbraw/zinc/45/48/69/573454869.db2.gz OUVCTXYNGNFLBB-VXGBXAGGSA-N 0 0 198.306 2.256 10 0 AEAERN O=Cc1ccc2c(O)cccc2c1O 142570616 573454889 /nfs/dbraw/zinc/45/48/89/573454889.db2.gz XFAHHYULYITZIH-UHFFFAOYSA-N 0 0 188.182 2.064 10 0 AEAERN C[C@H](O)c1c[nH]c2c(F)cccc12 258365963 573454921 /nfs/dbraw/zinc/45/49/21/573454921.db2.gz ZPIHUWHREVLUTK-LURJTMIESA-N 0 0 179.194 2.360 10 0 AEAERN CC(=O)Cc1coc(C(F)(F)F)c1 83278152 573455048 /nfs/dbraw/zinc/45/50/48/573455048.db2.gz FOTJMMNSRJGVNV-UHFFFAOYSA-N 0 0 192.136 2.430 10 0 AEAERN CC1=C(C)[C@@H]([C@](C)(O)CCCO)CC1 308591072 573455389 /nfs/dbraw/zinc/45/53/89/573455389.db2.gz OUVCTXYNGNFLBB-NWDGAFQWSA-N 0 0 198.306 2.256 10 0 AEAERN CCc1c[nH]c(=O)c2cc(O)ccc12 258361622 573455402 /nfs/dbraw/zinc/45/54/02/573455402.db2.gz WMSRLEYVRAITSA-UHFFFAOYSA-N 0 0 189.214 2.208 10 0 AEAERN CC(=O)[C@H]1CCC[C@@H](F)C1 107265873 573455419 /nfs/dbraw/zinc/45/54/19/573455419.db2.gz GDMDPRRMCVOQRO-JGVFFNPUSA-N 0 0 144.189 2.104 10 0 AEAERN Cn1nc2cc(N)ccc2c1C1CC1 257813976 573455482 /nfs/dbraw/zinc/45/54/82/573455482.db2.gz CGNVJUZUEHCECR-UHFFFAOYSA-N 0 0 187.246 2.033 10 0 AEAERN COC(=O)C12CCC(CF)(CC1)C2 107264443 573455558 /nfs/dbraw/zinc/45/55/58/573455558.db2.gz WNPGTCOGLBPUEL-UHFFFAOYSA-N 0 0 186.226 2.079 10 0 AEAERN Cc1c(Cl)ncnc1[C@H](C)F 107261818 573455566 /nfs/dbraw/zinc/45/55/66/573455566.db2.gz FNOVROJBBFRQPD-YFKPBYRVSA-N 0 0 174.606 2.469 10 0 AEAERN CC(=O)[C@H]1CCCC(F)(F)C1 107265880 573455593 /nfs/dbraw/zinc/45/55/93/573455593.db2.gz PXIFFLQKVVOCKT-ZETCQYMHSA-N 0 0 162.179 2.401 10 0 AEAERN F[C@@H]1C=CCCC1 107262099 573455601 /nfs/dbraw/zinc/45/56/01/573455601.db2.gz OYTBFGDMOREDSZ-ZCFIWIBFSA-N 0 0 100.136 2.065 10 0 AEAERN CC1CC(=O)C(C)(C)C(=O)C1 238406293 573455611 /nfs/dbraw/zinc/45/56/11/573455611.db2.gz IIXNCOZXSRWQGQ-LURJTMIESA-N 0 0 154.209 2.063 10 0 AEAERN Oc1ccc2c(c1)C[C@@H](F)CC2 107262141 573455632 /nfs/dbraw/zinc/45/56/32/573455632.db2.gz NNOBKUUWIRBPLH-VIFPVBQESA-N 0 0 166.195 2.219 10 0 AEAERN FCCCc1ccc2c(c1)OCO2 107263133 573455675 /nfs/dbraw/zinc/45/56/75/573455675.db2.gz GDTTUDYCCUZWIT-UHFFFAOYSA-N 0 0 182.194 2.317 10 0 AEAERN COC(C)(C)Cc1ccc(CO)cc1 259454371 573455814 /nfs/dbraw/zinc/45/58/14/573455814.db2.gz MWPCCFDLOJIMTF-UHFFFAOYSA-N 0 0 194.274 2.146 10 0 AEAERN C[C@H](O)C(F)(F)c1cccc(F)c1 257814165 573455876 /nfs/dbraw/zinc/45/58/76/573455876.db2.gz CITBWQDXJLMUIZ-LURJTMIESA-N 0 0 190.164 2.298 10 0 AEAERN Cc1nc(Cl)cc([C@H](C)F)n1 107261844 573455879 /nfs/dbraw/zinc/45/58/79/573455879.db2.gz LSEVEFSSYLJKFM-BYPYZUCNSA-N 0 0 174.606 2.469 10 0 AEAERN Nc1cccc([C@H]2C[C@H]2F)c1 259456605 573455926 /nfs/dbraw/zinc/45/59/26/573455926.db2.gz VTUHVAYPHDRITP-RKDXNWHRSA-N 0 0 151.184 2.094 10 0 AEAERN COC(=O)C/C=C\c1ccc(C)o1 258353861 573455956 /nfs/dbraw/zinc/45/59/56/573455956.db2.gz YUDBWTAWCRDTNV-ARJAWSKDSA-N 0 0 180.203 2.164 10 0 AEAERN C[C@@H](O)c1oc(C2CC2)nc1C1CC1 238402622 573456773 /nfs/dbraw/zinc/45/67/73/573456773.db2.gz GPOIYIMPGWDGQX-ZCFIWIBFSA-N 0 0 193.246 2.483 10 0 AEAERN Cc1cc(O)cc2cc(C=O)n(C)c12 257817723 573455994 /nfs/dbraw/zinc/45/59/94/573455994.db2.gz DYBARDNLIZEVQY-UHFFFAOYSA-N 0 0 189.214 2.005 10 0 AEAERN C[C@H](O)c1ccc2c(c1)CCCCO2 142625594 573456008 /nfs/dbraw/zinc/45/60/08/573456008.db2.gz AHAMNGGBTDLFDD-VIFPVBQESA-N 0 0 192.258 2.455 10 0 AEAERN C[C@H](F)c1cccc(N)c1 107265673 573456121 /nfs/dbraw/zinc/45/61/21/573456121.db2.gz FUBGXQYHDAAZOT-LURJTMIESA-N 0 0 139.173 2.299 10 0 AEAERN OCc1cc(-c2ccsc2)ns1 142593933 573456131 /nfs/dbraw/zinc/45/61/31/573456131.db2.gz DFSJYBPEMGFZIS-UHFFFAOYSA-N 0 0 197.284 2.364 10 0 AEAERN Cc1nc(Cl)cc([C@@H](C)F)n1 107261840 573456223 /nfs/dbraw/zinc/45/62/23/573456223.db2.gz LSEVEFSSYLJKFM-SCSAIBSYSA-N 0 0 174.606 2.469 10 0 AEAERN CC(=O)[C@]1(C)[C@@H]2CC[C@@]21C 142618167 573456786 /nfs/dbraw/zinc/45/67/86/573456786.db2.gz FKYVQKKMQVUNEZ-HRDYMLBCSA-N 0 0 138.210 2.012 10 0 AEAERN CC1=C(C)[C@@H]([C@@](C)(O)CCCO)CC1 308591073 573456277 /nfs/dbraw/zinc/45/62/77/573456277.db2.gz OUVCTXYNGNFLBB-RYUDHWBXSA-N 0 0 198.306 2.256 10 0 AEAERN CC1=C(C)[C@H]([C@@](C)(O)CCCO)CC1 308591071 573456792 /nfs/dbraw/zinc/45/67/92/573456792.db2.gz OUVCTXYNGNFLBB-NEPJUHHUSA-N 0 0 198.306 2.256 10 0 AEAERN C[C@H](c1ccc(C(=O)[O-])s1)[NH+](C)C 257818038 573456328 /nfs/dbraw/zinc/45/63/28/573456328.db2.gz CNXWOTMAQXXCPM-ZCFIWIBFSA-N 0 0 199.275 2.069 10 0 AEAERN C/C=C\Oc1ccc(CO)cc1 215213430 573456352 /nfs/dbraw/zinc/45/63/52/573456352.db2.gz PODVYRHXRKJLJM-UQCOIBPSSA-N 0 0 164.204 2.091 10 0 AEAERN F[C@@H]1CCc2c(Cl)ncnc21 107266202 573456355 /nfs/dbraw/zinc/45/63/55/573456355.db2.gz APGBZQMJXHPZAF-RXMQYKEDSA-N 0 0 172.590 2.087 10 0 AEAERN CCc1nc(Cl)c2ccc(O)cn12 258360834 573456356 /nfs/dbraw/zinc/45/63/56/573456356.db2.gz RNHDCFOTBZXTRL-UHFFFAOYSA-N 0 0 196.637 2.256 10 0 AEAERN Cc1cccc2c1C[C@@H](CCO)C2 257817863 573456400 /nfs/dbraw/zinc/45/64/00/573456400.db2.gz DUJWDKNCKKPNNS-JTQLQIEISA-N 0 0 176.259 2.092 10 0 AEAERN Cc1cccc2c1C[C@H](C[C@@H](C)O)O2 258359225 573456445 /nfs/dbraw/zinc/45/64/45/573456445.db2.gz ZBFMYBFKTBXGPI-ZJUUUORDSA-N 0 0 192.258 2.069 10 0 AEAERN Cc1cccnc1OCC(F)(F)F 142623615 573456536 /nfs/dbraw/zinc/45/65/36/573456536.db2.gz CYAQYMZUTKPUBX-UHFFFAOYSA-N 0 0 191.152 2.331 10 0 AEAERN CSc1ccc([C@@H](F)CO)cc1 257814143 573456547 /nfs/dbraw/zinc/45/65/47/573456547.db2.gz APJVWCQIECGSNG-VIFPVBQESA-N 0 0 186.251 2.411 10 0 AEAERN CCc1nc(C=O)[nH]c1C1CCCC1 257817716 573456578 /nfs/dbraw/zinc/45/65/78/573456578.db2.gz DXQWFNJDRGWJCQ-UHFFFAOYSA-N 0 0 192.262 2.442 10 0 AEAERN CC(C)(c1cc(N)on1)C(F)(F)F 107264243 573456685 /nfs/dbraw/zinc/45/66/85/573456685.db2.gz QQIVBOAHZLDNBP-UHFFFAOYSA-N 0 0 194.156 2.097 10 0 AEAERN C[C@@H]1CCCN1c1ccccc1O 238402900 573456693 /nfs/dbraw/zinc/45/66/93/573456693.db2.gz OSSNKTJWWLVRNI-SECBINFHSA-N 0 0 177.247 2.381 10 0 AEAERN CCCc1nnc2c(Cl)cccn12 258362922 573457980 /nfs/dbraw/zinc/45/79/80/573457980.db2.gz RZCWHRFUFUGZHO-UHFFFAOYSA-N 0 0 195.653 2.335 10 0 AEAERN CC(=O)[C@@]1(C)[C@@H]2CC[C@@]21C 142618373 573457990 /nfs/dbraw/zinc/45/79/90/573457990.db2.gz FKYVQKKMQVUNEZ-VGMNWLOBSA-N 0 0 138.210 2.012 10 0 AEAERN Cc1cccc2c(O)cc(N)cc12 257813952 573458001 /nfs/dbraw/zinc/45/80/01/573458001.db2.gz CFUDWWYXCAYBOU-UHFFFAOYSA-N 0 0 173.215 2.436 10 0 AEAERN C[C@H](O)[C@H]1Cc2c(F)cccc2S1 258362037 573458014 /nfs/dbraw/zinc/45/80/14/573458014.db2.gz ZJBFLVGFYGSCCQ-QUBYGPBYSA-N 0 0 198.262 2.223 10 0 AEAERN Oc1ccc2c(c1)C[C@H](F)CC2 107262137 573458051 /nfs/dbraw/zinc/45/80/51/573458051.db2.gz NNOBKUUWIRBPLH-SECBINFHSA-N 0 0 166.195 2.219 10 0 AEAERN C[C@@H]1C=C[C@@H]2CCC(=O)[C@]21C 238403856 573458096 /nfs/dbraw/zinc/45/80/96/573458096.db2.gz YNKNHOFLLRTKQG-MRTMQBJTSA-N 0 0 150.221 2.178 10 0 AEAERN CO[C@H](C)c1ccccc1CCCO 259454310 573458120 /nfs/dbraw/zinc/45/81/20/573458120.db2.gz MUYXNGTUWQLONH-SNVBAGLBSA-N 0 0 194.274 2.319 10 0 AEAERN CSC(=N)c1c(C)cccc1O 238401878 573458128 /nfs/dbraw/zinc/45/81/28/573458128.db2.gz SMVMSAMVPWIBBB-UHFFFAOYSA-N 0 0 181.260 2.389 10 0 AEAERN COC[C@@]1(C)Cc2cccc(F)c2N1 258359278 573458138 /nfs/dbraw/zinc/45/81/38/573458138.db2.gz ZCIGLETYTPQAGC-LLVKDONJSA-N 0 0 195.237 2.199 10 0 AEAERN C[C@@](F)(CO)c1ccc(F)cc1 257814091 573459201 /nfs/dbraw/zinc/45/92/01/573459201.db2.gz AKYAFJACFNNHED-SECBINFHSA-N 0 0 172.174 2.003 10 0 AEAERN FC(F)COc1ccc2c(c1)CCN2 258034165 573458958 /nfs/dbraw/zinc/45/89/58/573458958.db2.gz OCTOESPCVMWAQY-UHFFFAOYSA-N 0 0 199.200 2.299 10 0 AEAERN Cc1ccc(F)c(C[C@@H](C)O)c1 258032907 573458971 /nfs/dbraw/zinc/45/89/71/573458971.db2.gz PHFVWLQMRAHFEB-MRVPVSSYSA-N 0 0 168.211 2.057 10 0 AEAERN CC(C)(O)c1coc2ccc(O)cc12 258032654 573458978 /nfs/dbraw/zinc/45/89/78/573458978.db2.gz ZHGRTLUGRFCKEQ-UHFFFAOYSA-N 0 0 192.214 2.366 10 0 AEAERN C[C@H](O)Cc1c(F)ccc2ccoc12 258033697 573458995 /nfs/dbraw/zinc/45/89/95/573458995.db2.gz JGJBLIWHIGEPST-ZETCQYMHSA-N 0 0 194.205 2.495 10 0 AEAERN C[C@@H]1C=CC[C@H]2C(=O)CC[C@H]12 238401931 573459034 /nfs/dbraw/zinc/45/90/34/573459034.db2.gz GZOGWQVFKCTSQQ-IWSPIJDZSA-N 0 0 150.221 2.178 10 0 AEAERN CSc1c(O)ccc(O)c1C 238402489 573459064 /nfs/dbraw/zinc/45/90/64/573459064.db2.gz IWZLWTRSDFSBBP-UHFFFAOYSA-N 0 0 170.233 2.128 10 0 AEAERN C[C@@H]1C=C[C@H]([C@@H](C)CO)CC1 142606516 573459090 /nfs/dbraw/zinc/45/90/90/573459090.db2.gz NBGJJZMWKCRMQP-UTLUCORTSA-N 0 0 154.253 2.217 10 0 AEAERN Cc1nc(N)nn1C1CCCCCC1 86475320 573459107 /nfs/dbraw/zinc/45/91/07/573459107.db2.gz XEXOTGNZVAUVEG-UHFFFAOYSA-N 0 0 194.282 2.064 10 0 AEAERN CCC(=O)[C@H]1CCC[C@@H](OC)C1 142639665 573459169 /nfs/dbraw/zinc/45/91/69/573459169.db2.gz SEKBYJPVLRAFSZ-DTWKUNHWSA-N 0 0 170.252 2.171 10 0 AEAERN COc1cccc2c(F)ccnc12 238402880 573459227 /nfs/dbraw/zinc/45/92/27/573459227.db2.gz CYWITWFROGWTOS-UHFFFAOYSA-N 0 0 177.178 2.383 10 0 AEAERN C[C@@H]1C=CNC(=O)N1c1ccccc1 238403012 573459242 /nfs/dbraw/zinc/45/92/42/573459242.db2.gz DQDDTVLJCOJWNV-SECBINFHSA-N 0 0 188.230 2.118 10 0 AEAERN ONCc1cccc(OC2CCC2)c1 258033257 573459243 /nfs/dbraw/zinc/45/92/43/573459243.db2.gz JCUMVTKORSCABS-UHFFFAOYSA-N 0 0 193.246 2.097 10 0 AEAERN C[C@@H]1C=C[C@@H](C)[C@H]2CC(=O)C[C@@H]12 238403476 573459247 /nfs/dbraw/zinc/45/92/47/573459247.db2.gz FNRYJAURCWQEFO-OYBPUVFXSA-N 0 0 164.248 2.424 10 0 AEAERN C[C@@H](O)C(F)(F)c1cccc(F)c1 257814167 573459248 /nfs/dbraw/zinc/45/92/48/573459248.db2.gz CITBWQDXJLMUIZ-ZCFIWIBFSA-N 0 0 190.164 2.298 10 0 AEAERN FC1Cc2ccccc2C1 107262357 573459267 /nfs/dbraw/zinc/45/92/67/573459267.db2.gz HAYYLYDHACIROZ-UHFFFAOYSA-N 0 0 136.169 2.123 10 0 AEAERN COc1cc2cc[nH]c2cc1[C@@H](C)O 258033294 573459268 /nfs/dbraw/zinc/45/92/68/573459268.db2.gz JDBFWWLGBASPIO-SSDOTTSWSA-N 0 0 191.230 2.230 10 0 AEAERN C[C@@H](F)c1cc(Cl)ncn1 107261824 573459577 /nfs/dbraw/zinc/45/95/77/573459577.db2.gz LMPUJHHUDOCIEO-SCSAIBSYSA-N 0 0 160.579 2.161 10 0 AEAERN OCCC[C@H]1C[C@@]1(O)C1=CCCCC1 308592179 573459579 /nfs/dbraw/zinc/45/95/79/573459579.db2.gz PLTJZSZAHLGRMQ-NWDGAFQWSA-N 0 0 196.290 2.010 10 0 AEAERN Cc1cc(F)c(C)c(CCO)c1F 258033422 573459586 /nfs/dbraw/zinc/45/95/86/573459586.db2.gz JDTLLWZWFXNECR-UHFFFAOYSA-N 0 0 186.201 2.116 10 0 AEAERN CSc1ccc(O)c2c1C(=O)CC2 142577410 573459596 /nfs/dbraw/zinc/45/95/96/573459596.db2.gz RCJMVUBBHXPFGK-UHFFFAOYSA-N 0 0 194.255 2.243 10 0 AEAERN CCCc1ncc2c(OC)cccn12 258381636 573459612 /nfs/dbraw/zinc/45/96/12/573459612.db2.gz TWHIXIFCARBQGZ-UHFFFAOYSA-N 0 0 190.246 2.295 10 0 AEAERN CC[C@H]1NC(=O)Nc2ccc(F)cc21 257814731 573460453 /nfs/dbraw/zinc/46/04/53/573460453.db2.gz CPMUYTYTMBVXFW-MRVPVSSYSA-N 0 0 194.209 2.412 10 0 AEAERN CC[C@@H](O)c1ccn(CCSC)c1 130078061 573460458 /nfs/dbraw/zinc/46/04/58/573460458.db2.gz WZNAAPJAXGMRHH-SNVBAGLBSA-N 0 0 199.319 2.295 10 0 AEAERN Cc1ccc([C@]2(C)NC[C@@H](C)CO2)o1 258385743 573460459 /nfs/dbraw/zinc/46/04/59/573460459.db2.gz HMOUJGXJQQZIFX-LDYMZIIASA-N 0 0 195.262 2.017 10 0 AEAERN C[C@@H]1Oc2ccc(O)cc2C[C@H]1C 238405553 573462328 /nfs/dbraw/zinc/46/23/28/573462328.db2.gz RWOXKWPTXPCYDZ-SFYZADRCSA-N 0 0 178.231 2.352 10 0 AEAERN C[C@@H](CO)[C@@H]1CCc2cc(O)ccc21 257815103 573462332 /nfs/dbraw/zinc/46/23/32/573462332.db2.gz CTZKAIYXSRCDQS-KWQFWETISA-N 0 0 192.258 2.050 10 0 AEAERN Clc1ccccc1[C@H]1CCON1 257814586 573461741 /nfs/dbraw/zinc/46/17/41/573461741.db2.gz CNQGJRCYZVRRQC-SECBINFHSA-N 0 0 183.638 2.306 10 0 AEAERN CC(C)c1ccncc1C[C@@H](C)O 259100240 573462939 /nfs/dbraw/zinc/46/29/39/573462939.db2.gz DRSVEXROXICHLX-SECBINFHSA-N 0 0 179.263 2.128 10 0 AEAERN Cc1c(C=O)cc2c(c1C)OCC2 139273101 573461501 /nfs/dbraw/zinc/46/15/01/573461501.db2.gz CHRYENKZIXRZMQ-UHFFFAOYSA-N 0 0 176.215 2.051 10 0 AEAERN C[C@@H]1CCn2c(nnc2C2CCC2)C1 258385475 573461537 /nfs/dbraw/zinc/46/15/37/573461537.db2.gz UCEIFSTYCBRQRR-MRVPVSSYSA-N 0 0 191.278 2.128 10 0 AEAERN OCCC[C@@H]1C[C@@]1(O)C1=CCCCC1 308592181 573461575 /nfs/dbraw/zinc/46/15/75/573461575.db2.gz PLTJZSZAHLGRMQ-VXGBXAGGSA-N 0 0 196.290 2.010 10 0 AEAERN CCn1c(C=O)cc2cccc(O)c21 258032203 573461583 /nfs/dbraw/zinc/46/15/83/573461583.db2.gz DUTFRIDCRGVPOG-UHFFFAOYSA-N 0 0 189.214 2.179 10 0 AEAERN c1cc2c(c(OCC3CC3)c1)NCC2 258034097 573461590 /nfs/dbraw/zinc/46/15/90/573461590.db2.gz OBGOLGMBQBWXPY-UHFFFAOYSA-N 0 0 189.258 2.443 10 0 AEAERN C[C@@H]1C=C[C@H]2C(=O)CCC[C@@H]12 238404078 573461596 /nfs/dbraw/zinc/46/15/96/573461596.db2.gz KBOSPQNLSFLABV-HRDYMLBCSA-N 0 0 150.221 2.178 10 0 AEAERN COc1cc2cc[nH]c2cc1[C@H](C)O 258033301 573461661 /nfs/dbraw/zinc/46/16/61/573461661.db2.gz JDBFWWLGBASPIO-ZETCQYMHSA-N 0 0 191.230 2.230 10 0 AEAERN CCC(CC)[NH2+][C@H](CC(=O)[O-])C1CC1 130185713 573461663 /nfs/dbraw/zinc/46/16/63/573461663.db2.gz CDRCHPPHZAANCO-SNVBAGLBSA-N 0 0 199.294 2.018 10 0 AEAERN COc1cccc2ccc(N)c(N)c12 238405547 573461682 /nfs/dbraw/zinc/46/16/82/573461682.db2.gz TUWWAOONFYMXOE-UHFFFAOYSA-N 0 0 188.230 2.013 10 0 AEAERN C[C@H]1CCc2nnc(C3CCC3)n2C1 258381594 573461759 /nfs/dbraw/zinc/46/17/59/573461759.db2.gz TUWHQAIBUXZCQX-QMMMGPOBSA-N 0 0 191.278 2.128 10 0 AEAERN CC(F)(F)Cc1ccc(F)nc1 107268281 573461786 /nfs/dbraw/zinc/46/17/86/573461786.db2.gz GGXRXRZUCSJGMQ-UHFFFAOYSA-N 0 0 175.153 2.418 10 0 AEAERN COc1cnn(-c2ccc(F)cc2)c1 258366451 573461819 /nfs/dbraw/zinc/46/18/19/573461819.db2.gz GMOQCMTVOBFSBW-UHFFFAOYSA-N 0 0 192.193 2.020 10 0 AEAERN Cc1cc(C=O)c([C@@H](C)CO)cc1C 258033398 573461879 /nfs/dbraw/zinc/46/18/79/573461879.db2.gz JDRMAZJRYOKZDW-JTQLQIEISA-N 0 0 192.258 2.212 10 0 AEAERN Cc1cccc(-c2ncc(N)cc2N)c1 257815252 573461895 /nfs/dbraw/zinc/46/18/95/573461895.db2.gz BMZSLMFWVAHOOK-UHFFFAOYSA-N 0 0 199.257 2.221 10 0 AEAERN COc1ccc2c(C3CC3)c[nH]c2n1 238404903 573461952 /nfs/dbraw/zinc/46/19/52/573461952.db2.gz XJJAZOGVQKFVRH-UHFFFAOYSA-N 0 0 188.230 2.449 10 0 AEAERN CCc1ccc(C)c(CCO)c1 258032890 573461956 /nfs/dbraw/zinc/46/19/56/573461956.db2.gz PGUFKUPSGGMOHU-UHFFFAOYSA-N 0 0 164.248 2.092 10 0 AEAERN Nc1cnccc1-c1ccccc1O 257814525 573461967 /nfs/dbraw/zinc/46/19/67/573461967.db2.gz CKJKKQUHWZVVMR-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Cc1cc(O)cc2c1C(=O)[C@H](C)C2 238405401 573462002 /nfs/dbraw/zinc/46/20/02/573462002.db2.gz ZTAPVVUKZBOIGS-SSDOTTSWSA-N 0 0 176.215 2.076 10 0 AEAERN Cc1cc(C=O)c([C@H](C)CO)cc1C 258033409 573462005 /nfs/dbraw/zinc/46/20/05/573462005.db2.gz JDRMAZJRYOKZDW-SNVBAGLBSA-N 0 0 192.258 2.212 10 0 AEAERN COc1ncc(C(F)F)c(F)c1C 238404178 573462020 /nfs/dbraw/zinc/46/20/20/573462020.db2.gz STOYOYLGPFBUPQ-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN NOCCc1c(F)ccc2ccoc12 258033497 573462028 /nfs/dbraw/zinc/46/20/28/573462028.db2.gz JEGRLKCOPHUMKM-UHFFFAOYSA-N 0 0 195.193 2.005 10 0 AEAERN OCCc1cc(-c2ccccc2)ccn1 259100274 573462076 /nfs/dbraw/zinc/46/20/76/573462076.db2.gz DSQUNOOEVPOUDI-UHFFFAOYSA-N 0 0 199.253 2.283 10 0 AEAERN Cc1ccccc1C(F)(F)[C@@H](C)O 257814521 573462122 /nfs/dbraw/zinc/46/21/22/573462122.db2.gz CKEOODLMOAMEFS-MRVPVSSYSA-N 0 0 186.201 2.468 10 0 AEAERN C[C@@H]1CC(C)(C)[C@@H]2C[C@@H]2C1=O 142696810 573462123 /nfs/dbraw/zinc/46/21/23/573462123.db2.gz SKYRDOBZMWMBPY-GJMOJQLCSA-N 0 0 152.237 2.258 10 0 AEAERN OCCCc1cccc(F)c1CF 258033428 573462134 /nfs/dbraw/zinc/46/21/34/573462134.db2.gz JDUSYKLHOCHLQO-UHFFFAOYSA-N 0 0 186.201 2.220 10 0 AEAERN COCc1cn(C)c2cccc(O)c12 258033108 573462181 /nfs/dbraw/zinc/46/21/81/573462181.db2.gz ASULFPOGABQVOU-UHFFFAOYSA-N 0 0 191.230 2.030 10 0 AEAERN C[C@@H](CO)[C@H]1CCc2cc(O)ccc21 257815101 573462183 /nfs/dbraw/zinc/46/21/83/573462183.db2.gz CTZKAIYXSRCDQS-GZMMTYOYSA-N 0 0 192.258 2.050 10 0 AEAERN CSc1ccc([C@H](C)CO)cc1O 258031842 573462345 /nfs/dbraw/zinc/46/23/45/573462345.db2.gz FJTYDACRYTXWFC-SSDOTTSWSA-N 0 0 198.287 2.210 10 0 AEAERN CC(=O)[C@@H]1CCc2cccc(F)c2O1 259459676 573462360 /nfs/dbraw/zinc/46/23/60/573462360.db2.gz GJHTYTGPUKMYIF-JTQLQIEISA-N 0 0 194.205 2.108 10 0 AEAERN COC(=O)[C@@](C)(F)c1cccc(C)c1 257814706 573462361 /nfs/dbraw/zinc/46/23/61/573462361.db2.gz COJUICZTBIHXIW-NSHDSACASA-N 0 0 196.221 2.353 10 0 AEAERN CCCC(=O)CCc1cnn(CC)c1 50540465 573462385 /nfs/dbraw/zinc/46/23/85/573462385.db2.gz HZQYLVJDADKGPN-UHFFFAOYSA-N 0 0 194.278 2.205 10 0 AEAERN CC[C@H](C)n1nnc(N)c1C(C)(C)C 86492788 573462932 /nfs/dbraw/zinc/46/29/32/573462932.db2.gz GUAWMHNUUQRBFS-ZETCQYMHSA-N 0 0 196.298 2.129 10 0 AEAERN CC[C@H](O)c1ccn(CCSC)c1 130077814 573462479 /nfs/dbraw/zinc/46/24/79/573462479.db2.gz WZNAAPJAXGMRHH-JTQLQIEISA-N 0 0 199.319 2.295 10 0 AEAERN CC[C@@H](C)n1nnc(N)c1C(C)(C)C 86492786 573462511 /nfs/dbraw/zinc/46/25/11/573462511.db2.gz GUAWMHNUUQRBFS-SSDOTTSWSA-N 0 0 196.298 2.129 10 0 AEAERN CC(=O)c1cnc2c(c1)CCSC2 257814699 573462554 /nfs/dbraw/zinc/46/25/54/573462554.db2.gz COBIRWSVIFTOPT-UHFFFAOYSA-N 0 0 193.271 2.074 10 0 AEAERN NC(F)(F)C1CCCCC1 107271572 573462559 /nfs/dbraw/zinc/46/25/59/573462559.db2.gz MDMCHEFQAOQKJQ-UHFFFAOYSA-N 0 0 149.184 2.118 10 0 AEAERN Clc1ccccc1[C@@H]1CCON1 257814587 573462569 /nfs/dbraw/zinc/46/25/69/573462569.db2.gz CNQGJRCYZVRRQC-VIFPVBQESA-N 0 0 183.638 2.306 10 0 AEAERN CC(C)[C@@H](NN)C(C)(C)C(F)(F)F 690191125 573462732 /nfs/dbraw/zinc/46/27/32/573462732.db2.gz SSMMQUFNRBAQKB-ZCFIWIBFSA-N 0 0 198.232 2.063 10 0 AEAERN C=CC[C@@H]1C[C@@H](C)CC(=O)[C@H]1[C@H](C)O 142694762 573462755 /nfs/dbraw/zinc/46/27/55/573462755.db2.gz XJBUORGUILBLKC-KLBPJQLPSA-N 0 0 196.290 2.175 10 0 AEAERN CC(C)c1c(N)nnn1C1CCCC1 86492368 573462820 /nfs/dbraw/zinc/46/28/20/573462820.db2.gz RABAOZJDDPRXCG-UHFFFAOYSA-N 0 0 194.282 2.099 10 0 AEAERN ONCc1cccc2c1CCCC2 258032787 573462862 /nfs/dbraw/zinc/46/28/62/573462862.db2.gz PFUVRXSMRAIHSM-UHFFFAOYSA-N 0 0 177.247 2.044 10 0 AEAERN CO[C@@H]1Cc2ccc(C)cc21 258497953 573462864 /nfs/dbraw/zinc/46/28/64/573462864.db2.gz KQNDMTXKJHPFAR-SNVBAGLBSA-N 0 0 148.205 2.239 10 0 AEAERN CSC(=O)Nc1nccs1 238404560 573462868 /nfs/dbraw/zinc/46/28/68/573462868.db2.gz QHCDRZDMKXKTOC-UHFFFAOYSA-N 0 0 174.250 2.038 10 0 AEAERN COc1cccc2cc(C=O)ncc12 238404544 573463836 /nfs/dbraw/zinc/46/38/36/573463836.db2.gz YXSAKTZKJGCSOU-UHFFFAOYSA-N 0 0 187.198 2.056 10 0 AEAERN CC[C@@H](Cc1cnn(CC)c1)C(C)=O 50540478 573462963 /nfs/dbraw/zinc/46/29/63/573462963.db2.gz SGVHVUCYYRTRKW-NSHDSACASA-N 0 0 194.278 2.061 10 0 AEAERN CCc1nc(CO)[nH]c1C1CCCC1 257814726 573462980 /nfs/dbraw/zinc/46/29/80/573462980.db2.gz CPLLKGKCGLTVLX-UHFFFAOYSA-N 0 0 194.278 2.122 10 0 AEAERN CC(C)c1nnc2n1[C@H](C)CCC2 258033452 573462985 /nfs/dbraw/zinc/46/29/85/573462985.db2.gz CHPTUENQKVAHFF-MRVPVSSYSA-N 0 0 179.267 2.299 10 0 AEAERN CCC(CC)[NH2+][C@@H](CC(=O)[O-])C1CC1 130185477 573462996 /nfs/dbraw/zinc/46/29/96/573462996.db2.gz CDRCHPPHZAANCO-JTQLQIEISA-N 0 0 199.294 2.018 10 0 AEAERN CCn1cc(COC(C)C)nc1C 258032001 573463003 /nfs/dbraw/zinc/46/30/03/573463003.db2.gz DRMYIYOXYBPPRY-UHFFFAOYSA-N 0 0 182.267 2.136 10 0 AEAERN C[C@@H]1Cc2cc(O)ccc2O[C@@H]1C 238405516 573463030 /nfs/dbraw/zinc/46/30/30/573463030.db2.gz RWOXKWPTXPCYDZ-HTQZYQBOSA-N 0 0 178.231 2.352 10 0 AEAERN COC[C@@]1(C)Cc2cc(F)ccc2N1 258032149 573463145 /nfs/dbraw/zinc/46/31/45/573463145.db2.gz DUDPFLKGVKUZOE-LLVKDONJSA-N 0 0 195.237 2.199 10 0 AEAERN C[C@@H](O)c1ccc2[nH]ccc2c1F 258032943 573463150 /nfs/dbraw/zinc/46/31/50/573463150.db2.gz PHSNSVIUQJDGEJ-ZCFIWIBFSA-N 0 0 179.194 2.360 10 0 AEAERN COc1ccc2c(c1)OC[C@@H](C)CN2 238405562 573463155 /nfs/dbraw/zinc/46/31/55/573463155.db2.gz IKXAXXTUXFUEEW-QMMMGPOBSA-N 0 0 193.246 2.136 10 0 AEAERN ONCc1ccc2occc2c1F 258033035 573463167 /nfs/dbraw/zinc/46/31/67/573463167.db2.gz PIZAQTPUACGTGX-UHFFFAOYSA-N 0 0 181.166 2.051 10 0 AEAERN Cc1ccc(F)c(C[C@H](C)O)c1 258032912 573463175 /nfs/dbraw/zinc/46/31/75/573463175.db2.gz PHFVWLQMRAHFEB-QMMMGPOBSA-N 0 0 168.211 2.057 10 0 AEAERN CCCc1noc([C@@H](C)NC(C)C)n1 308592034 573463185 /nfs/dbraw/zinc/46/31/85/573463185.db2.gz KTFVESYSNORYHP-MRVPVSSYSA-N 0 0 197.282 2.081 10 0 AEAERN CSC(=O)Nc1ccc(N)c(C)c1 238404295 573463211 /nfs/dbraw/zinc/46/32/11/573463211.db2.gz KVOOAANEKRXZMZ-UHFFFAOYSA-N 0 0 196.275 2.472 10 0 AEAERN Cc1ccccc1C(F)(F)[C@H](C)O 257814522 573463263 /nfs/dbraw/zinc/46/32/63/573463263.db2.gz CKEOODLMOAMEFS-QMMMGPOBSA-N 0 0 186.201 2.468 10 0 AEAERN CC(=O)c1ccc(C2(F)COC2)cc1 107271642 573463265 /nfs/dbraw/zinc/46/32/65/573463265.db2.gz DISMLZLXOYYYOE-UHFFFAOYSA-N 0 0 194.205 2.084 10 0 AEAERN CC(C)c1ccncc1C[C@H](C)O 259100241 573463336 /nfs/dbraw/zinc/46/33/36/573463336.db2.gz DRSVEXROXICHLX-VIFPVBQESA-N 0 0 179.263 2.128 10 0 AEAERN CC(F)(F)c1ccccc1CON 258033100 573463403 /nfs/dbraw/zinc/46/34/03/573463403.db2.gz JATQGTOYVGPJBI-UHFFFAOYSA-N 0 0 187.189 2.189 10 0 AEAERN C[C@@H]1C=C[C@@H]2CCCC(=O)[C@H]21 238403875 573463404 /nfs/dbraw/zinc/46/34/04/573463404.db2.gz ZTHJRRKSDFPHBS-WEDXCCLWSA-N 0 0 150.221 2.178 10 0 AEAERN CC(C)c1c2cc(N)ccc2nn1C 257815115 573463419 /nfs/dbraw/zinc/46/34/19/573463419.db2.gz CUHQTUYWZIHDPL-UHFFFAOYSA-N 0 0 189.262 2.279 10 0 AEAERN COc1cc(OC)c(N=O)c(O)c1C 238405554 573463424 /nfs/dbraw/zinc/46/34/24/573463424.db2.gz YUGQQWHTXHPUON-UHFFFAOYSA-N 0 0 197.190 2.116 10 0 AEAERN C[C@@H]1CCCn2c1nnc2C(C)(C)C 258377909 573463460 /nfs/dbraw/zinc/46/34/60/573463460.db2.gz MNUKVSGHYCGKNO-MRVPVSSYSA-N 0 0 193.294 2.473 10 0 AEAERN Fc1ccc2[nH]cc(F)c2c1 107271205 573463483 /nfs/dbraw/zinc/46/34/83/573463483.db2.gz PMPRTCGOGHCDOR-UHFFFAOYSA-N 0 0 153.131 2.446 10 0 AEAERN NNc1csc(-c2ccccc2)n1 259457740 573463499 /nfs/dbraw/zinc/46/34/99/573463499.db2.gz YJLUCWNOWMZPJX-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN COc1ncc(C(F)F)c(F)c1F 238404413 573463532 /nfs/dbraw/zinc/46/35/32/573463532.db2.gz HJHWZEVGEKZEIQ-UHFFFAOYSA-N 0 0 195.115 2.306 10 0 AEAERN Cc1cc2c(cc1O)C[C@@H](C)O2 238405310 573463613 /nfs/dbraw/zinc/46/36/13/573463613.db2.gz AIGXKYFUTCXUNB-SSDOTTSWSA-N 0 0 164.204 2.024 10 0 AEAERN C[C@@H]1C=C[C@H]2[C@@H]1C(=O)C2(C)C 238405005 573463623 /nfs/dbraw/zinc/46/36/23/573463623.db2.gz VJNBIIGQNWWPKQ-GJMOJQLCSA-N 0 0 150.221 2.034 10 0 AEAERN NOCc1c[nH]c2c(Cl)cccc12 258368066 573463669 /nfs/dbraw/zinc/46/36/69/573463669.db2.gz ZSYCJSZKVWGFJH-UHFFFAOYSA-N 0 0 196.637 2.212 10 0 AEAERN CCCC[C@H](NN)C(C)(C)CC 130180611 573463686 /nfs/dbraw/zinc/46/36/86/573463686.db2.gz NDJPVTUWTMEGMV-VIFPVBQESA-N 0 0 172.316 2.445 10 0 AEAERN CC[C@@H]1NC(=O)Nc2ccc(F)cc21 257814732 573463694 /nfs/dbraw/zinc/46/36/94/573463694.db2.gz CPMUYTYTMBVXFW-QMMMGPOBSA-N 0 0 194.209 2.412 10 0 AEAERN CC(=O)C(F)(F)c1csc(C)n1 107268927 573463716 /nfs/dbraw/zinc/46/37/16/573463716.db2.gz POJYFIMZJNXDND-UHFFFAOYSA-N 0 0 191.202 2.132 10 0 AEAERN O=Cc1n[nH]cc1-c1ccccc1F 257815402 573463724 /nfs/dbraw/zinc/46/37/24/573463724.db2.gz BDHWDKNGICUTHR-UHFFFAOYSA-N 0 0 190.177 2.028 10 0 AEAERN COc1ccc2c(F)c[nH]c2c1 107271218 573463725 /nfs/dbraw/zinc/46/37/25/573463725.db2.gz VTKCJHZIPFRGJF-UHFFFAOYSA-N 0 0 165.167 2.316 10 0 AEAERN C[Si](C)(C)[C@@H]1CCC=C[C@H]1O 197344240 573463761 /nfs/dbraw/zinc/46/37/61/573463761.db2.gz ZJEVXVFBPJNTSL-RKDXNWHRSA-N 0 0 170.328 2.406 10 0 AEAERN Cc1c(O)cc2c(c1C)N[C@@H](C)C2 142686525 573464920 /nfs/dbraw/zinc/46/49/20/573464920.db2.gz NEEMNNFCGVCQOB-LURJTMIESA-N 0 0 177.247 2.366 10 0 AEAERN Nc1cc(-c2ccc3[nH]ccc3c2)on1 258037268 573463852 /nfs/dbraw/zinc/46/38/52/573463852.db2.gz FRDICFXHCJUYOD-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN c1nc([C@H]2CCCO2)n2c1CCCC2 258367283 573463909 /nfs/dbraw/zinc/46/39/09/573463909.db2.gz SFFAHDCMGZUIAI-SNVBAGLBSA-N 0 0 192.262 2.071 10 0 AEAERN C[C@@H]1C=C[C@@H]2[C@@H]1C(=O)C2(C)C 238404033 573463968 /nfs/dbraw/zinc/46/39/68/573463968.db2.gz VJNBIIGQNWWPKQ-BWZBUEFSSA-N 0 0 150.221 2.034 10 0 AEAERN CC(C)(F)c1ccccc1CO 107268585 573463969 /nfs/dbraw/zinc/46/39/69/573463969.db2.gz IRGWYPAZQIKLFE-UHFFFAOYSA-N 0 0 168.211 2.384 10 0 AEAERN Cc1c(O)cc2c(c1C)N[C@H](C)C2 142686330 573463987 /nfs/dbraw/zinc/46/39/87/573463987.db2.gz NEEMNNFCGVCQOB-ZCFIWIBFSA-N 0 0 177.247 2.366 10 0 AEAERN CSC(=O)Nc1nc(C)cs1 238404501 573464026 /nfs/dbraw/zinc/46/40/26/573464026.db2.gz ILLNZBBBHABESR-UHFFFAOYSA-N 0 0 188.277 2.346 10 0 AEAERN COc1cc2ccc(OC)c(O)c2o1 238404241 573464042 /nfs/dbraw/zinc/46/40/42/573464042.db2.gz BGNABJQFSDBHQR-UHFFFAOYSA-N 0 0 194.186 2.156 10 0 AEAERN CC(=O)C[C@H]1COc2ccc(F)cc21 258036681 573464086 /nfs/dbraw/zinc/46/40/86/573464086.db2.gz KKAQKCLRGLOYBU-QMMMGPOBSA-N 0 0 194.205 2.281 10 0 AEAERN Cc1ccc([C@@]2(C)NC(C)(C)CO2)o1 258366454 573464137 /nfs/dbraw/zinc/46/41/37/573464137.db2.gz GMUPQPSXNHKJME-NSHDSACASA-N 0 0 195.262 2.159 10 0 AEAERN OCc1cc2c(F)cccc2o1 258035759 573464141 /nfs/dbraw/zinc/46/41/41/573464141.db2.gz ZOELWRFWYYKIBS-UHFFFAOYSA-N 0 0 166.151 2.064 10 0 AEAERN COc1ccc2c(c1)OC[C@H](C)CN2 238405449 573464157 /nfs/dbraw/zinc/46/41/57/573464157.db2.gz IKXAXXTUXFUEEW-MRVPVSSYSA-N 0 0 193.246 2.136 10 0 AEAERN CNc1[nH]c2ccccc2c1C=O 258660358 573464184 /nfs/dbraw/zinc/46/41/84/573464184.db2.gz GRINOHVIRXXIAS-UHFFFAOYSA-N 0 0 174.203 2.022 10 0 AEAERN Oc1ccc2c(c1)nc1n2CCCC1 257814733 573464190 /nfs/dbraw/zinc/46/41/90/573464190.db2.gz CPNMYCFOAUCLMG-UHFFFAOYSA-N 0 0 188.230 2.078 10 0 AEAERN CCCC[C@@H](NN)C(C)(C)CC 130180848 573464216 /nfs/dbraw/zinc/46/42/16/573464216.db2.gz NDJPVTUWTMEGMV-SECBINFHSA-N 0 0 172.316 2.445 10 0 AEAERN C[C@H]1CC(F)(F)c2ncnc(F)c21 107268979 573464236 /nfs/dbraw/zinc/46/42/36/573464236.db2.gz JPNHAIXVEJDMHH-BYPYZUCNSA-N 0 0 188.152 2.215 10 0 AEAERN ONCc1cccc2c(Cl)c[nH]c12 258036134 573464295 /nfs/dbraw/zinc/46/42/95/573464295.db2.gz JLRWGJZZAZFDQV-UHFFFAOYSA-N 0 0 196.637 2.300 10 0 AEAERN CC[C@H](C)c1nc(C)c[nH]1 139459676 573464334 /nfs/dbraw/zinc/46/43/34/573464334.db2.gz VOVQZEWZJXQFFI-LURJTMIESA-N 0 0 138.214 2.232 10 0 AEAERN CO[C@H]1Cc2ccc(C)cc21 258497948 573464351 /nfs/dbraw/zinc/46/43/51/573464351.db2.gz KQNDMTXKJHPFAR-JTQLQIEISA-N 0 0 148.205 2.239 10 0 AEAERN C[C@@H]1CCC[C@@H](C(N)=O)CC1(C)C 238404812 573464379 /nfs/dbraw/zinc/46/43/79/573464379.db2.gz PRNHZWGZGZDARX-RKDXNWHRSA-N 0 0 183.295 2.324 10 0 AEAERN Nc1ccc(C2(F)CCOCC2)cc1 107271700 573464954 /nfs/dbraw/zinc/46/49/54/573464954.db2.gz LETDDBGNGZKCHC-UHFFFAOYSA-N 0 0 195.237 2.244 10 0 AEAERN COc1c(F)cc(C(F)F)nc1C 238405043 573464505 /nfs/dbraw/zinc/46/45/05/573464505.db2.gz MSZPYAGOFNGCCL-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN Cc1c(C)c2c(c(C)c1C=O)OCC2 139274251 573464646 /nfs/dbraw/zinc/46/46/46/573464646.db2.gz XMEUNVUFVFRXEF-UHFFFAOYSA-N 0 0 190.242 2.359 10 0 AEAERN COc1cc2ccoc2c(O)c1OC 238405221 573464658 /nfs/dbraw/zinc/46/46/58/573464658.db2.gz XUSNAFRUOXOJSG-UHFFFAOYSA-N 0 0 194.186 2.156 10 0 AEAERN Cc1cccc2c1SC(=O)CN2 258390081 573464686 /nfs/dbraw/zinc/46/46/86/573464686.db2.gz BBBVBMKFEQFKFI-UHFFFAOYSA-N 0 0 179.244 2.039 10 0 AEAERN C[C@@H]1C=C[C@H]2CCC(=O)[C@@]12C 238404887 573464703 /nfs/dbraw/zinc/46/47/03/573464703.db2.gz YNKNHOFLLRTKQG-WEDXCCLWSA-N 0 0 150.221 2.178 10 0 AEAERN COC(=O)[C@H](C(C)C)C1(C)CC1 259461456 573464778 /nfs/dbraw/zinc/46/47/78/573464778.db2.gz AECCTHAVFCFTKS-QMMMGPOBSA-N 0 0 170.252 2.232 10 0 AEAERN NCC(F)(F)c1ccc(F)c(F)c1 107270864 573464788 /nfs/dbraw/zinc/46/47/88/573464788.db2.gz GFVHXCCAWPWVQI-UHFFFAOYSA-N 0 0 193.143 2.015 10 0 AEAERN C[C@@H](CO)c1ccc2c(c1)SCC2 258036043 573464841 /nfs/dbraw/zinc/46/48/41/573464841.db2.gz JJDJOWHBHDSKDR-QMMMGPOBSA-N 0 0 194.299 2.431 10 0 AEAERN C[C@@H]1CNc2c(CO)cccc2S1 258395190 573464875 /nfs/dbraw/zinc/46/48/75/573464875.db2.gz BMYIWVNFNGZNIU-SSDOTTSWSA-N 0 0 195.287 2.085 10 0 AEAERN CCN1c2cc(O)ccc2NC[C@H]1C 258390279 573465283 /nfs/dbraw/zinc/46/52/83/573465283.db2.gz BBWCDIYGNYHNMO-MRVPVSSYSA-N 0 0 192.262 2.033 10 0 AEAERN COc1sc(-c2cc[nH]c2)nc1C 259462032 573465301 /nfs/dbraw/zinc/46/53/01/573465301.db2.gz YRNMAVMRYAMUQP-UHFFFAOYSA-N 0 0 194.259 2.455 10 0 AEAERN COc1ccc2nc3c[nH][nH]c-3c2c1 238404427 573465323 /nfs/dbraw/zinc/46/53/23/573465323.db2.gz GTANHUZWLJFRFN-UHFFFAOYSA-N 0 0 187.202 2.053 10 0 AEAERN Nc1c(F)cccc1[C@H](O)C1CCC1 257820642 573465373 /nfs/dbraw/zinc/46/53/73/573465373.db2.gz FTBIFRKAIPAZIL-LLVKDONJSA-N 0 0 195.237 2.241 10 0 AEAERN 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AEAERN CC(=O)C[C@@H]1COc2ccc(F)cc21 258036674 573465558 /nfs/dbraw/zinc/46/55/58/573465558.db2.gz KKAQKCLRGLOYBU-MRVPVSSYSA-N 0 0 194.205 2.281 10 0 AEAERN COc1ccc2c(c1)OCC(C)(C)N2 258393250 573465570 /nfs/dbraw/zinc/46/55/70/573465570.db2.gz BIRZHNPWGHOOES-UHFFFAOYSA-N 0 0 193.246 2.278 10 0 AEAERN CO[C@@H]1CCCc2c(N)cccc21 257815755 573465588 /nfs/dbraw/zinc/46/55/88/573465588.db2.gz CXGPHXJCOPEYBI-LLVKDONJSA-N 0 0 177.247 2.293 10 0 AEAERN CCc1[nH]cnc1-c1cccc(O)c1 257815957 573465656 /nfs/dbraw/zinc/46/56/56/573465656.db2.gz DDXAYDGBUKMTII-UHFFFAOYSA-N 0 0 188.230 2.345 10 0 AEAERN C[C@H](N)C(F)(F)c1ccccc1F 107275256 573465664 /nfs/dbraw/zinc/46/56/64/573465664.db2.gz JRZUWNIKMRIMMH-LURJTMIESA-N 0 0 189.180 2.265 10 0 AEAERN OC1(c2ccc3c(c2)CCS3)CC1 258035995 573465703 /nfs/dbraw/zinc/46/57/03/573465703.db2.gz JIEIBWLLTUHYGX-UHFFFAOYSA-N 0 0 192.283 2.316 10 0 AEAERN CSC(=O)Nc1cccc(N)c1 238404382 573465712 /nfs/dbraw/zinc/46/57/12/573465712.db2.gz OHUDTLCXCBEBSF-UHFFFAOYSA-N 0 0 182.248 2.164 10 0 AEAERN CSc1cc(C)[nH]c1C 238404358 573465727 /nfs/dbraw/zinc/46/57/27/573465727.db2.gz CAJFSILXBMRLRE-UHFFFAOYSA-N 0 0 141.239 2.353 10 0 AEAERN C[C@@H](N)C(F)(F)c1cccc(F)c1 107275877 573465783 /nfs/dbraw/zinc/46/57/83/573465783.db2.gz DJIWLOHIXDIGIF-ZCFIWIBFSA-N 0 0 189.180 2.265 10 0 AEAERN CCc1nc(Cl)c2c(O)cccn12 258387775 573465788 /nfs/dbraw/zinc/46/57/88/573465788.db2.gz UCDCTVAERWGQGJ-UHFFFAOYSA-N 0 0 196.637 2.256 10 0 AEAERN CCc1cc([C@@H](C)CO)ccc1OC 258036006 573465796 /nfs/dbraw/zinc/46/57/96/573465796.db2.gz JIIFAOJWQUMABW-VIFPVBQESA-N 0 0 194.274 2.353 10 0 AEAERN Cc1cc(CC2(O)CC2)cc(O)c1C 258036124 573465808 /nfs/dbraw/zinc/46/58/08/573465808.db2.gz JLKZHAUHKOVGFF-UHFFFAOYSA-N 0 0 192.258 2.076 10 0 AEAERN CC(=O)[C@@H](C)Cc1ccc(C)o1 238404785 573465834 /nfs/dbraw/zinc/46/58/34/573465834.db2.gz SWAKKSDCYQFPER-ZETCQYMHSA-N 0 0 166.220 2.356 10 0 AEAERN CSC(=O)c1c(C)cccc1O 238405500 573465839 /nfs/dbraw/zinc/46/58/39/573465839.db2.gz 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258662191 573466124 /nfs/dbraw/zinc/46/61/24/573466124.db2.gz SOHVFKAYTRLQPG-UHFFFAOYSA-N 0 0 174.203 2.490 10 0 AEAERN COCC1(O)CCC(C(C)C)CC1 86518798 573466148 /nfs/dbraw/zinc/46/61/48/573466148.db2.gz NYVWJKGVJXQWOF-UHFFFAOYSA-N 0 0 186.295 2.210 10 0 AEAERN COc1ncc(C(F)F)cc1CF 238406229 573466192 /nfs/dbraw/zinc/46/61/92/573466192.db2.gz UHSJZFRSLJUXFU-UHFFFAOYSA-N 0 0 191.152 2.497 10 0 AEAERN C[C@@H]1OC(=S)N[C@H]1c1ccccc1 238406212 573466199 /nfs/dbraw/zinc/46/61/99/573466199.db2.gz RSTLFCZXEVCYSO-IONNQARKSA-N 0 0 193.271 2.021 10 0 AEAERN COc1[nH]cc(C(F)F)c(=O)c1C 238405463 573466245 /nfs/dbraw/zinc/46/62/45/573466245.db2.gz KGBCPQXRPHRXCY-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN FC1(F)CCN[C@H]1c1ccccc1 107274973 573466274 /nfs/dbraw/zinc/46/62/74/573466274.db2.gz AMLMIKMHUNJHRA-VIFPVBQESA-N 0 0 183.201 2.356 10 0 AEAERN FC1(F)CNCC[C@@H]1C1CCC1 257815898 573466325 /nfs/dbraw/zinc/46/63/25/573466325.db2.gz BMYUOXRMNXDNOF-MRVPVSSYSA-N 0 0 175.222 2.031 10 0 AEAERN 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188.230 2.006 10 0 AEAERN Nc1cc(-c2ccc(O)cc2)co1 258037270 573466548 /nfs/dbraw/zinc/46/65/48/573466548.db2.gz DFEIFRKVTWIRRG-UHFFFAOYSA-N 0 0 175.187 2.234 10 0 AEAERN CCCc1cc(=O)[nH]n1C(C)(C)C 257815787 573466556 /nfs/dbraw/zinc/46/65/56/573466556.db2.gz CYGGZXTWHBOHKU-UHFFFAOYSA-N 0 0 182.267 2.296 10 0 AEAERN COC[C@@H](F)c1ccc(O)cc1 107278743 573466595 /nfs/dbraw/zinc/46/65/95/573466595.db2.gz WXMMBADBWUKEFL-SECBINFHSA-N 0 0 170.183 2.049 10 0 AEAERN O=C1C[C@@H](c2cccc(Cl)c2)CO1 257820617 573466637 /nfs/dbraw/zinc/46/66/37/573466637.db2.gz FSBNCNLJPFVVRN-MRVPVSSYSA-N 0 0 196.633 2.371 10 0 AEAERN COc1cnc(CF)cc1C(F)F 238405014 573466645 /nfs/dbraw/zinc/46/66/45/573466645.db2.gz KDLURJPAUADETG-UHFFFAOYSA-N 0 0 191.152 2.497 10 0 AEAERN COC(=O)C1(C(C)=O)CCCCCC1 86501910 573466703 /nfs/dbraw/zinc/46/67/03/573466703.db2.gz ITKOGRBTLWMVGK-UHFFFAOYSA-N 0 0 198.262 2.089 10 0 AEAERN Cc1ccoc1-c1onc(N)c1Cl 86517320 573466712 /nfs/dbraw/zinc/46/67/12/573466712.db2.gz 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/nfs/dbraw/zinc/50/77/22/573507722.db2.gz CMDHBVVNKXJZNN-UHFFFAOYSA-N 0 0 199.662 2.384 10 0 AEAERN CC(C)=CC(=O)N1C[C@@H](C)C[C@H](C)C1 75244304 573507790 /nfs/dbraw/zinc/50/77/90/573507790.db2.gz BAAZXJFWSNDAKN-QWRGUYRKSA-N 0 0 195.306 2.457 10 0 AEAERN C[C@H](O)C/C=C1/CC1(C)C 238419860 573507842 /nfs/dbraw/zinc/50/78/42/573507842.db2.gz XZDLTHDSJPCPRC-BJMRUTCWSA-N 0 0 140.226 2.114 10 0 AEAERN C/C=C/CO[C@H]1CCCC(=O)C1 86603825 573510014 /nfs/dbraw/zinc/51/00/14/573510014.db2.gz KZWYKDJREPGDFO-PBKGFPTLSA-N 0 0 168.236 2.091 10 0 AEAERN C=C/C(C)=C\[C@@H](C)[C@@H](C)O 224212474 573510989 /nfs/dbraw/zinc/51/09/89/573510989.db2.gz RVRJRZABPVNBIY-IEKVDETDSA-N 0 0 140.226 2.136 10 0 AEAERN C=Cc1ccccc1OCCCO 238673952 573509449 /nfs/dbraw/zinc/50/94/49/573509449.db2.gz YKVLWYGSDQBSRG-UHFFFAOYSA-N 0 0 178.231 2.091 10 0 AEAERN C[C@@H]1CCCCC(=O)[C@H]1C/C=C\CO 308610865 573509490 /nfs/dbraw/zinc/50/94/90/573509490.db2.gz YILCMOSSYFQYEG-KWKBKKAHSA-N 0 0 196.290 2.320 10 0 AEAERN CC(C)CC[C@@H](NN)[C@H](C)C1CC1 130276364 573509496 /nfs/dbraw/zinc/50/94/96/573509496.db2.gz PPMIHOBZUBDYDX-MWLCHTKSSA-N 0 0 184.327 2.301 10 0 AEAERN O[C@@H](c1ccsc1)c1ccccn1 83447916 573509545 /nfs/dbraw/zinc/50/95/45/573509545.db2.gz FCOAVFZKJRBWTA-JTQLQIEISA-N 0 0 191.255 2.225 10 0 AEAERN CC(C)[C@H]1CCC[C@@]2(CC1)CC(=O)N2 83438447 573509552 /nfs/dbraw/zinc/50/95/52/573509552.db2.gz HMOCYKGJNGOEIX-CMPLNLGQSA-N 0 0 195.306 2.481 10 0 AEAERN C[C@H](O)Cc1cccc2c1[C@@H](C)CN2 258046488 573509627 /nfs/dbraw/zinc/50/96/27/573509627.db2.gz KXBSQMQTGIBBEV-IUCAKERBSA-N 0 0 191.274 2.139 10 0 AEAERN C[C@@H]1C[C@](O)(c2ccsc2)CCO1 83448537 573509732 /nfs/dbraw/zinc/50/97/32/573509732.db2.gz KFBBJSDSDPYLQW-SCZZXKLOSA-N 0 0 198.287 2.135 10 0 AEAERN CC1=C[C@H](c2ccccc2)N[C@@H](C)N1 238421282 573509753 /nfs/dbraw/zinc/50/97/53/573509753.db2.gz WPJNNOKBAZBEPV-CMPLNLGQSA-N 0 0 188.274 2.170 10 0 AEAERN C[C@@H]1CCCCC(=O)[C@@H]1C/C=C\CO 308610867 573509784 /nfs/dbraw/zinc/50/97/84/573509784.db2.gz YILCMOSSYFQYEG-WQMVXFAESA-N 0 0 196.290 2.320 10 0 AEAERN C[C@@H]1CCc2cccc(O)c2[C@H]1CO 224211393 573509816 /nfs/dbraw/zinc/50/98/16/573509816.db2.gz WNEXCMTYPYKTNH-SCZZXKLOSA-N 0 0 192.258 2.050 10 0 AEAERN Cc1sc2nccn2c1C 75268587 573509833 /nfs/dbraw/zinc/50/98/33/573509833.db2.gz SCGGTFFORFNKKV-UHFFFAOYSA-N 0 0 152.222 2.013 10 0 AEAERN O=C(c1ccsc1)c1ccccn1 83449959 573509862 /nfs/dbraw/zinc/50/98/62/573509862.db2.gz ZPXHTXFEGJRBGA-UHFFFAOYSA-N 0 0 189.239 2.374 10 0 AEAERN CC(C)(C)O[C@@H]1CCCC(=O)C1 86603587 573509933 /nfs/dbraw/zinc/50/99/33/573509933.db2.gz LOBUNKONENNVOC-SECBINFHSA-N 0 0 170.252 2.313 10 0 AEAERN CC(C)[C@@H]1CCC[C@]2(CC1)CC(=O)N2 83438448 573509939 /nfs/dbraw/zinc/50/99/39/573509939.db2.gz HMOCYKGJNGOEIX-PWSUYJOCSA-N 0 0 195.306 2.481 10 0 AEAERN Cc1ccc(N(C)C(N)=O)c(C)c1C 258725251 573509958 /nfs/dbraw/zinc/50/99/58/573509958.db2.gz QIFHQMWRRUZODL-UHFFFAOYSA-N 0 0 192.262 2.127 10 0 AEAERN Cc1cc([C@@H](O)[C@@H]2CCOC2)cs1 83448141 573509965 /nfs/dbraw/zinc/50/99/65/573509965.db2.gz FBPSXLHFHJNCJI-SCZZXKLOSA-N 0 0 198.287 2.126 10 0 AEAERN Cc1ccc(CF)cc1C=O 211878604 573511667 /nfs/dbraw/zinc/51/16/67/573511667.db2.gz IBEMMXDJMLKBAW-UHFFFAOYSA-N 0 0 152.168 2.277 10 0 AEAERN COC(=O)C(C)(C)Nc1cccs1 258728581 573509996 /nfs/dbraw/zinc/50/99/96/573509996.db2.gz GXOFPJIPCJRYCP-UHFFFAOYSA-N 0 0 199.275 2.112 10 0 AEAERN Oc1ccc(F)c2[nH]ccc12 107325041 573510004 /nfs/dbraw/zinc/51/00/04/573510004.db2.gz MBPIXHBVIXLUSR-UHFFFAOYSA-N 0 0 151.140 2.013 10 0 AEAERN Cc1cc([C@H](O)[C@H]2CCOC2)cs1 83448143 573510006 /nfs/dbraw/zinc/51/00/06/573510006.db2.gz FBPSXLHFHJNCJI-WCBMZHEXSA-N 0 0 198.287 2.126 10 0 AEAERN COc1c(C(F)F)[nH]cc(C)c1=O 238431468 573510031 /nfs/dbraw/zinc/51/00/31/573510031.db2.gz VHQWINDOJZJDPY-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN C[C@H](O)Cc1cccc2c1[C@H](C)CN2 258046476 573510034 /nfs/dbraw/zinc/51/00/34/573510034.db2.gz KXBSQMQTGIBBEV-BDAKNGLRSA-N 0 0 191.274 2.139 10 0 AEAERN C[C@H]1CCc2cccc(O)c2[C@H]1CO 224211444 573510127 /nfs/dbraw/zinc/51/01/27/573510127.db2.gz WNEXCMTYPYKTNH-WPRPVWTQSA-N 0 0 192.258 2.050 10 0 AEAERN C[C@@H]1CCCC[C@H]1C1OCCO1 214910857 573510161 /nfs/dbraw/zinc/51/01/61/573510161.db2.gz UHOZIZXUUUKBLZ-RKDXNWHRSA-N 0 0 170.252 2.186 10 0 AEAERN COC1(Nc2ccccc2F)CC1 224215530 573511673 /nfs/dbraw/zinc/51/16/73/573511673.db2.gz OYUODTYDHBANCN-UHFFFAOYSA-N 0 0 181.210 2.374 10 0 AEAERN CC(C)(C)[C@@H]1CCC[C@H](NN)CC1 83438652 573510214 /nfs/dbraw/zinc/51/02/14/573510214.db2.gz DPLDNZZQRNCGBD-ZJUUUORDSA-N 0 0 184.327 2.445 10 0 AEAERN C[C@H](C(N)=O)C1(C)CCCCC1 238420342 573510226 /nfs/dbraw/zinc/51/02/26/573510226.db2.gz OEBCCLIJGPCFNK-MRVPVSSYSA-N 0 0 169.268 2.078 10 0 AEAERN CC(C)(ON)c1ccc(Cl)o1 259481618 573510381 /nfs/dbraw/zinc/51/03/81/573510381.db2.gz OSPVVQZFUGUWON-UHFFFAOYSA-N 0 0 175.615 2.058 10 0 AEAERN CC[C@@H](CC(=O)CO)c1ccccc1 308602046 573510407 /nfs/dbraw/zinc/51/04/07/573510407.db2.gz VDVZXVBKZIOPKM-JTQLQIEISA-N 0 0 192.258 2.132 10 0 AEAERN CC[C@@](C)(O)c1ccsc1 83447492 573510412 /nfs/dbraw/zinc/51/04/12/573510412.db2.gz FPDFUOGSQFGLJY-MRVPVSSYSA-N 0 0 156.250 2.366 10 0 AEAERN C[C@@H]1CNc2cccc(C[C@@H](C)O)c21 258046494 573510457 /nfs/dbraw/zinc/51/04/57/573510457.db2.gz KXBSQMQTGIBBEV-RKDXNWHRSA-N 0 0 191.274 2.139 10 0 AEAERN CC1=N[C@H](c2ccccc2)N[C@H]1C 238421366 573510522 /nfs/dbraw/zinc/51/05/22/573510522.db2.gz NZQLWRVSYGNNSE-GZMMTYOYSA-N 0 0 174.247 2.138 10 0 AEAERN CCC(C)(C)O[C@@H]1CCC[C@H](O)C1 86603579 573510575 /nfs/dbraw/zinc/51/05/75/573510575.db2.gz BSHPWTYPIDFENS-VHSXEESVSA-N 0 0 186.295 2.495 10 0 AEAERN O=C1CCC[C@@H](OC2CCC2)C1 86603822 573510669 /nfs/dbraw/zinc/51/06/69/573510669.db2.gz CYFBZFPTDBCWNP-SNVBAGLBSA-N 0 0 168.236 2.067 10 0 AEAERN O[C@@H]1CCC[C@@H](Oc2ccccc2)C1 86603443 573510672 /nfs/dbraw/zinc/51/06/72/573510672.db2.gz TWHZCHQLTJEXDU-ZYHUDNBSSA-N 0 0 192.258 2.369 10 0 AEAERN CCCC1([C@@H](CO)C(C)C)COC1 258723413 573510675 /nfs/dbraw/zinc/51/06/75/573510675.db2.gz OTEFPBWKDYFRDX-JTQLQIEISA-N 0 0 186.295 2.068 10 0 AEAERN O[C@H](c1ccsc1)[C@@H]1CCCOC1 83448324 573510700 /nfs/dbraw/zinc/51/07/00/573510700.db2.gz JVNSABCPLUEUTG-SCZZXKLOSA-N 0 0 198.287 2.208 10 0 AEAERN CSC[C@@H](O)c1ccsc1 83450528 573510784 /nfs/dbraw/zinc/51/07/84/573510784.db2.gz SUHCYADAJTUGCQ-SSDOTTSWSA-N 0 0 174.290 2.145 10 0 AEAERN C=CC1=C([C@H](C)O)CCCC1 238421328 573510786 /nfs/dbraw/zinc/51/07/86/573510786.db2.gz CKHQVFIHKSQUSS-QMMMGPOBSA-N 0 0 152.237 2.424 10 0 AEAERN C[C@H](NCC=C1CCC1)c1ccon1 308602700 573510796 /nfs/dbraw/zinc/51/07/96/573510796.db2.gz BDBJBKHFLOXIPU-VIFPVBQESA-N 0 0 192.262 2.436 10 0 AEAERN CC[C@](C)(O)c1ccsc1 83447491 573511054 /nfs/dbraw/zinc/51/10/54/573511054.db2.gz FPDFUOGSQFGLJY-QMMMGPOBSA-N 0 0 156.250 2.366 10 0 AEAERN CC(C)=C[C@H](O)[C@H]1CCC[C@@H](C)C1=O 238420372 573511091 /nfs/dbraw/zinc/51/10/91/573511091.db2.gz GGBSFTQKXIWOSY-MXWKQRLJSA-N 0 0 196.290 2.319 10 0 AEAERN CSC[C@H](O)c1csc(C)c1 83450524 573511143 /nfs/dbraw/zinc/51/11/43/573511143.db2.gz URFPPRRMGUISAT-QMMMGPOBSA-N 0 0 188.317 2.453 10 0 AEAERN Cc1cc([C@@H](O)[C@H]2CCOC2)cs1 83448148 573511164 /nfs/dbraw/zinc/51/11/64/573511164.db2.gz FBPSXLHFHJNCJI-WPRPVWTQSA-N 0 0 198.287 2.126 10 0 AEAERN C[C@@H]1C[C@@](O)(c2ccsc2)CCO1 83448545 573511211 /nfs/dbraw/zinc/51/12/11/573511211.db2.gz KFBBJSDSDPYLQW-PSASIEDQSA-N 0 0 198.287 2.135 10 0 AEAERN Nc1cccc(F)c1C1CCOCC1 259481675 573511248 /nfs/dbraw/zinc/51/12/48/573511248.db2.gz OTCSFOSRWNWONJ-UHFFFAOYSA-N 0 0 195.237 2.302 10 0 AEAERN C[C@@H](NCC=C1CCC1)c1ccon1 308602690 573511275 /nfs/dbraw/zinc/51/12/75/573511275.db2.gz BDBJBKHFLOXIPU-SECBINFHSA-N 0 0 192.262 2.436 10 0 AEAERN O[C@H]1CCC[C@@H](OCC2CCCC2)C1 86603732 573511285 /nfs/dbraw/zinc/51/12/85/573511285.db2.gz GDRRUQGWTQRVKF-NWDGAFQWSA-N 0 0 198.306 2.497 10 0 AEAERN Cc1[nH]c(Cl)nc1-c1ccncc1 258500451 573511293 /nfs/dbraw/zinc/51/12/93/573511293.db2.gz DWAXWHIKTUWWHX-UHFFFAOYSA-N 0 0 193.637 2.434 10 0 AEAERN Cc1ccc(-c2cnoc2C=O)cc1 257823723 573511319 /nfs/dbraw/zinc/51/13/19/573511319.db2.gz FVVSABYQSHSVOY-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN Cc1cc([C@@H](C)O)cs1 83448403 573511362 /nfs/dbraw/zinc/51/13/62/573511362.db2.gz XNFHYMNCOLLFCN-ZCFIWIBFSA-N 0 0 142.223 2.110 10 0 AEAERN C[C@@H]1C(=O)CCc2ccc(O)cc21 259482132 573511394 /nfs/dbraw/zinc/51/13/94/573511394.db2.gz XJZYHOWHFBOVFV-ZETCQYMHSA-N 0 0 176.215 2.011 10 0 AEAERN CC(C)(C)[C@H]1CCC[C@@H](NN)CC1 83438655 573511416 /nfs/dbraw/zinc/51/14/16/573511416.db2.gz DPLDNZZQRNCGBD-VHSXEESVSA-N 0 0 184.327 2.445 10 0 AEAERN Cc1cc(C(C)(C)O)cs1 83447483 573511552 /nfs/dbraw/zinc/51/15/52/573511552.db2.gz YFJSKWQOYYVAMT-UHFFFAOYSA-N 0 0 156.250 2.284 10 0 AEAERN Cc1cccc2c(Cl)ncn12 258500187 573511553 /nfs/dbraw/zinc/51/15/53/573511553.db2.gz ZSJKPGMOQXQLOE-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN CCc1nc2ccc(NC)cc2n1C 258720790 573511568 /nfs/dbraw/zinc/51/15/68/573511568.db2.gz XVJNEPZSIWXSIW-UHFFFAOYSA-N 0 0 189.262 2.177 10 0 AEAERN OCNc1ccc(Cl)cc1Cl 258719705 573511585 /nfs/dbraw/zinc/51/15/85/573511585.db2.gz UCOBZAZGFSGKQF-UHFFFAOYSA-N 0 0 192.045 2.355 10 0 AEAERN C[C@@H]1CSc2ccc(N)cc2N1 258404099 573511586 /nfs/dbraw/zinc/51/15/86/573511586.db2.gz COCLFDCZSQOEDY-ZCFIWIBFSA-N 0 0 180.276 2.175 10 0 AEAERN CC(C)(C)[C@H]1CCC[C@H](NN)CC1 83438653 573511633 /nfs/dbraw/zinc/51/16/33/573511633.db2.gz DPLDNZZQRNCGBD-UWVGGRQHSA-N 0 0 184.327 2.445 10 0 AEAERN C[C@]1(c2cccc(F)c2)COC(=O)C1 257823740 573511696 /nfs/dbraw/zinc/51/16/96/573511696.db2.gz GQKPMYINPGSWDR-LLVKDONJSA-N 0 0 194.205 2.030 10 0 AEAERN OC1(c2c(F)cc(F)cc2F)CC1 83446544 573511699 /nfs/dbraw/zinc/51/16/99/573511699.db2.gz QHTCWBSXACZDTC-UHFFFAOYSA-N 0 0 188.148 2.085 10 0 AEAERN C[C@H]1C(=O)CCc2ccc(O)cc21 259482121 573511738 /nfs/dbraw/zinc/51/17/38/573511738.db2.gz XJZYHOWHFBOVFV-SSDOTTSWSA-N 0 0 176.215 2.011 10 0 AEAERN Cc1cc([C@H](C)O)cs1 83448410 573511760 /nfs/dbraw/zinc/51/17/60/573511760.db2.gz XNFHYMNCOLLFCN-LURJTMIESA-N 0 0 142.223 2.110 10 0 AEAERN CC(C)(C)[C@@H]1CCC[C@@H](NN)CC1 83438654 573511784 /nfs/dbraw/zinc/51/17/84/573511784.db2.gz DPLDNZZQRNCGBD-NXEZZACHSA-N 0 0 184.327 2.445 10 0 AEAERN Cc1ncn([C@H]2CCCC(=O)C2)c1C 86602759 573511791 /nfs/dbraw/zinc/51/17/91/573511791.db2.gz FAUAMQQQNIWKDZ-JTQLQIEISA-N 0 0 192.262 2.184 10 0 AEAERN CC1=CC[C@H]([C@H](C)O)[C@@H](C)C1 238423068 573511839 /nfs/dbraw/zinc/51/18/39/573511839.db2.gz IOQUIHOWMJVSBJ-GUBZILKMSA-N 0 0 154.253 2.360 10 0 AEAERN C=Cc1ccc(OC)c(F)c1 83446238 573512354 /nfs/dbraw/zinc/51/23/54/573512354.db2.gz SRXMDJDXQBFNFT-UHFFFAOYSA-N 0 0 152.168 2.477 10 0 AEAERN O=C1CCC[C@H](OC2CCC2)C1 86603823 573513169 /nfs/dbraw/zinc/51/31/69/573513169.db2.gz CYFBZFPTDBCWNP-JTQLQIEISA-N 0 0 168.236 2.067 10 0 AEAERN Cc1cc([C@H](O)[C@@H]2CCOC2)cs1 83448140 573512661 /nfs/dbraw/zinc/51/26/61/573512661.db2.gz FBPSXLHFHJNCJI-PSASIEDQSA-N 0 0 198.287 2.126 10 0 AEAERN CC(C)CO[C@@H]1CCCC(=O)C1 86603255 573513175 /nfs/dbraw/zinc/51/31/75/573513175.db2.gz GNEYNWUAKQHJSZ-SNVBAGLBSA-N 0 0 170.252 2.171 10 0 AEAERN CC(C)(C)O[C@@H]1CCC[C@H](O)C1 86603561 573512665 /nfs/dbraw/zinc/51/26/65/573512665.db2.gz UPDGCERMEAYNQI-DTWKUNHWSA-N 0 0 172.268 2.105 10 0 AEAERN C[C@](O)(c1ccsc1)C1CC1 83447502 573512706 /nfs/dbraw/zinc/51/27/06/573512706.db2.gz FBNAOYFTWUAJRM-SECBINFHSA-N 0 0 168.261 2.366 10 0 AEAERN Cc1cc(C2(O)CCOCC2)cs1 83447652 573512761 /nfs/dbraw/zinc/51/27/61/573512761.db2.gz SADXJUONHAEPBT-UHFFFAOYSA-N 0 0 198.287 2.055 10 0 AEAERN Cc1cc([C@]2(O)CCCOC2)cs1 83448653 573512811 /nfs/dbraw/zinc/51/28/11/573512811.db2.gz PDVOQKQUXVLQIE-JTQLQIEISA-N 0 0 198.287 2.055 10 0 AEAERN CCO[C@H](C=C(C)C)CC(C)=O 238255353 573512815 /nfs/dbraw/zinc/51/28/15/573512815.db2.gz GUVPDLFAWJYMDR-SNVBAGLBSA-N 0 0 170.252 2.337 10 0 AEAERN COC(=O)c1sc2c(c1C)CCC2 259482476 573512861 /nfs/dbraw/zinc/51/28/61/573512861.db2.gz AOMHKPZTVGAWSK-UHFFFAOYSA-N 0 0 196.271 2.332 10 0 AEAERN CCc1nccn1[C@H]1CCCC(=O)C1 86601697 573512912 /nfs/dbraw/zinc/51/29/12/573512912.db2.gz CRIIGNJLNRSLTN-VIFPVBQESA-N 0 0 192.262 2.130 10 0 AEAERN COCCCC[C@@H](O)c1ccc(C)o1 308602429 573513201 /nfs/dbraw/zinc/51/32/01/573513201.db2.gz VFAKQQXWRCHOSW-SNVBAGLBSA-N 0 0 198.262 2.438 10 0 AEAERN C[C@H]1CCCC[C@H]1C1OCCO1 214910907 573513202 /nfs/dbraw/zinc/51/32/02/573513202.db2.gz UHOZIZXUUUKBLZ-DTWKUNHWSA-N 0 0 170.252 2.186 10 0 AEAERN CCCC[C@@H]1C[C@H]2[C@H](C[C@H]2OC)[C@H]1O 308602503 573512979 /nfs/dbraw/zinc/51/29/79/573512979.db2.gz VIWJWMYWCCNERZ-IIRVCBMXSA-N 0 0 198.306 2.209 10 0 AEAERN C[C@@]1(c2cccc(F)c2)COC(=O)C1 257823742 573513024 /nfs/dbraw/zinc/51/30/24/573513024.db2.gz GQKPMYINPGSWDR-NSHDSACASA-N 0 0 194.205 2.030 10 0 AEAERN O[C@@H](c1ccsc1)[C@H]1CCCOC1 83448326 573513052 /nfs/dbraw/zinc/51/30/52/573513052.db2.gz JVNSABCPLUEUTG-WCBMZHEXSA-N 0 0 198.287 2.208 10 0 AEAERN C=C=C(C)C/C=C/C[C@@H](C)O 238422538 573513117 /nfs/dbraw/zinc/51/31/17/573513117.db2.gz KJRPZLCUJUAVKF-BRAIEQGRSA-N 0 0 152.237 2.435 10 0 AEAERN O[C@H]1CCC[C@@H](Oc2ccccc2)C1 86603441 573513118 /nfs/dbraw/zinc/51/31/18/573513118.db2.gz TWHZCHQLTJEXDU-CMPLNLGQSA-N 0 0 192.258 2.369 10 0 AEAERN CC(=O)c1ccccc1CF 211878709 573513750 /nfs/dbraw/zinc/51/37/50/573513750.db2.gz JBMLKOVTOWFXTN-UHFFFAOYSA-N 0 0 152.168 2.359 10 0 AEAERN CCCC[C@@H]1C[C@@H]2[C@H](OC)C[C@H]2[C@H]1O 308602506 573513391 /nfs/dbraw/zinc/51/33/91/573513391.db2.gz VIWJWMYWCCNERZ-ROHXPCBUSA-N 0 0 198.306 2.209 10 0 AEAERN CCCC[C@@H]1C[C@H]2[C@H](C[C@H]2OC)[C@@H]1O 308602507 573513424 /nfs/dbraw/zinc/51/34/24/573513424.db2.gz VIWJWMYWCCNERZ-YBXAARCKSA-N 0 0 198.306 2.209 10 0 AEAERN O=C1CCC[C@@H](OCc2ccco2)C1 86603744 573513467 /nfs/dbraw/zinc/51/34/67/573513467.db2.gz HMVXHOAYDSPHOE-SNVBAGLBSA-N 0 0 194.230 2.308 10 0 AEAERN C[C@@H](O)Cc1cccc2c1[C@@H](C)CN2 258046483 573513519 /nfs/dbraw/zinc/51/35/19/573513519.db2.gz KXBSQMQTGIBBEV-DTWKUNHWSA-N 0 0 191.274 2.139 10 0 AEAERN C[C@H](O)[C@H]1CCC(C)(C)[C@@H]1C 238423329 573513579 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573516028 /nfs/dbraw/zinc/51/60/28/573516028.db2.gz GLCDZHPVDOZAIX-SNVBAGLBSA-N 0 0 192.258 2.459 10 0 AEAERN Oc1ccc([C@@H](F)[C@H]2CCOC2)cc1 258046735 573516130 /nfs/dbraw/zinc/51/61/30/573516130.db2.gz JTUKOFGBBXEKIH-GXSJLCMTSA-N 0 0 196.221 2.439 10 0 AEAERN CCOc1ccc(C2(C)COC2)cc1 258732799 573516196 /nfs/dbraw/zinc/51/61/96/573516196.db2.gz PJZZWAMWHSPEMK-UHFFFAOYSA-N 0 0 192.258 2.373 10 0 AEAERN C=CC(=O)O[C@H](C)CCCC 33604848 573516293 /nfs/dbraw/zinc/51/62/93/573516293.db2.gz HRKWOOHVRHBXHJ-MRVPVSSYSA-N 0 0 156.225 2.294 10 0 AEAERN O=C1CC[C@@H](Oc2cccc(F)c2)C1 86619431 573516295 /nfs/dbraw/zinc/51/62/95/573516295.db2.gz FQTHEZAYVGAASW-LLVKDONJSA-N 0 0 194.205 2.326 10 0 AEAERN C=CC1=CC[C@@H](CO)[C@H](C)C1 238423281 573516296 /nfs/dbraw/zinc/51/62/96/573516296.db2.gz QILXRXQWWWABEB-SCZZXKLOSA-N 0 0 152.237 2.137 10 0 AEAERN c1coc(Oc2cnoc2)c1 258731565 573516307 /nfs/dbraw/zinc/51/63/07/573516307.db2.gz VTGOBGMWOMUJRQ-UHFFFAOYSA-N 0 0 151.121 2.060 10 0 AEAERN CSc1cccc(O)c1CCCO 258046712 573516335 /nfs/dbraw/zinc/51/63/35/573516335.db2.gz GKAYSLRISIFWGL-UHFFFAOYSA-N 0 0 198.287 2.039 10 0 AEAERN O=C1CC[C@@H](Oc2ccccc2)C1 86619427 573516365 /nfs/dbraw/zinc/51/63/65/573516365.db2.gz DUQJAKPSJDKPSO-LLVKDONJSA-N 0 0 176.215 2.187 10 0 AEAERN Cc1cccc(O[C@@H]2CCC(=O)C2)c1 86619421 573516370 /nfs/dbraw/zinc/51/63/70/573516370.db2.gz ZTXYHAIHKGDUFR-GFCCVEGCSA-N 0 0 190.242 2.495 10 0 AEAERN CC/C=C\[C@H](CO)[C@H](/C=C\CC)CO 308603708 573516442 /nfs/dbraw/zinc/51/64/42/573516442.db2.gz VSDBDJXHVDNJNF-HDRFSLPGSA-N 0 0 198.306 2.136 10 0 AEAERN c1nscc1OC1CCC1 258735471 573516497 /nfs/dbraw/zinc/51/64/97/573516497.db2.gz VWOGTIYQZYUESM-UHFFFAOYSA-N 0 0 155.222 2.074 10 0 AEAERN COc1cc(N)cc2c(O)cccc12 257823059 573516514 /nfs/dbraw/zinc/51/65/14/573516514.db2.gz GKMUWCHJOBXHEX-UHFFFAOYSA-N 0 0 189.214 2.136 10 0 AEAERN C/C=C/C=C\C(=O)N(C)CCCC 308400636 573516547 /nfs/dbraw/zinc/51/65/47/573516547.db2.gz GURQHNGMIHLXNF-UFEJRDAESA-N 0 0 181.279 2.377 10 0 AEAERN 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10 0 AEAERN C=CC1=C([C@@H](C)O)CCC1 238423900 573517564 /nfs/dbraw/zinc/51/75/64/573517564.db2.gz ISWVCXVGLRUIDX-SSDOTTSWSA-N 0 0 138.210 2.034 10 0 AEAERN O=C(S)Nc1ccc2c(c1)CCO2 258731063 573517575 /nfs/dbraw/zinc/51/75/75/573517575.db2.gz QYKZYXBYQYPSAY-UHFFFAOYSA-N 0 0 195.243 2.083 10 0 AEAERN CC(=O)[C@H](C)[C@H](O)c1cccc(F)c1 238423786 573517580 /nfs/dbraw/zinc/51/75/80/573517580.db2.gz GKHCPKSURSIVKL-CPCISQLKSA-N 0 0 196.221 2.084 10 0 AEAERN Cc1cc(CC[C@@H](C)O)cs1 83454056 573517582 /nfs/dbraw/zinc/51/75/82/573517582.db2.gz XTXBZWCJYBKJFA-SSDOTTSWSA-N 0 0 170.277 2.370 10 0 AEAERN Cc1nn([C@H]2CCC(=O)C2)c(C)c1C 86618854 573517637 /nfs/dbraw/zinc/51/76/37/573517637.db2.gz CJHMYFFWKLXKCO-JTQLQIEISA-N 0 0 192.262 2.102 10 0 AEAERN CN(CC(C)(C)O)c1ccc(F)cc1 258734950 573517695 /nfs/dbraw/zinc/51/76/95/573517695.db2.gz FILKMOMOYYOUIH-UHFFFAOYSA-N 0 0 197.253 2.033 10 0 AEAERN Cc1ccc([C@@H](F)[C@@H](C)O)cc1 258501315 573517704 /nfs/dbraw/zinc/51/77/04/573517704.db2.gz KYHUTAFWEDDYEA-SCZZXKLOSA-N 0 0 168.211 2.386 10 0 AEAERN Cc1ccccc1O[C@@H]1CCC(=O)C1 86619423 573517723 /nfs/dbraw/zinc/51/77/23/573517723.db2.gz RAGFKNPDOHMBJH-LLVKDONJSA-N 0 0 190.242 2.495 10 0 AEAERN Cc1cccc(O[C@H]2CCC(=O)C2)c1 86619422 573517746 /nfs/dbraw/zinc/51/77/46/573517746.db2.gz ZTXYHAIHKGDUFR-LBPRGKRZSA-N 0 0 190.242 2.495 10 0 AEAERN C[C@@H](O)C12CCC([C@@H](C)O)(CC1)CC2 238423424 573517761 /nfs/dbraw/zinc/51/77/61/573517761.db2.gz ZTRRCRXCSBNPML-QYNFOATHSA-N 0 0 198.306 2.089 10 0 AEAERN CC(=O)C(F)(F)C[C@H]1CCCS1 257823067 573517804 /nfs/dbraw/zinc/51/78/04/573517804.db2.gz GKUSQBPPQLGRPT-SSDOTTSWSA-N 0 0 194.246 2.496 10 0 AEAERN Oc1ccc([C@H](F)[C@H]2CCOC2)cc1 258046746 573517781 /nfs/dbraw/zinc/51/77/81/573517781.db2.gz JTUKOFGBBXEKIH-ONGXEEELSA-N 0 0 196.221 2.439 10 0 AEAERN C[C@@H]1CC(CCO)C[C@H]1C 238423682 573517791 /nfs/dbraw/zinc/51/77/91/573517791.db2.gz NMEYGVVLXSHZOU-HTQZYQBOSA-N 0 0 142.242 2.051 10 0 AEAERN CCc1sc(C[NH3+])nc1C1CC1 257822695 573517852 /nfs/dbraw/zinc/51/78/52/573517852.db2.gz GFMGNZUXMUNJOX-UHFFFAOYSA-N 0 0 182.292 2.042 10 0 AEAERN Cc1cc(C[C@H](C)CO)cs1 83454125 573517853 /nfs/dbraw/zinc/51/78/53/573517853.db2.gz HSVBIJKJTYQGHL-ZETCQYMHSA-N 0 0 170.277 2.227 10 0 AEAERN FC(F)COc1cccnc1Cl 83455012 573517862 /nfs/dbraw/zinc/51/78/62/573517862.db2.gz FFNHGIOEHHSOPC-UHFFFAOYSA-N 0 0 193.580 2.379 10 0 AEAERN O[C@@H]1CC[C@@H](c2ccsc2)C1 83454069 573517953 /nfs/dbraw/zinc/51/79/53/573517953.db2.gz VQHLYWIAPWGHOT-VXNVDRBHSA-N 0 0 168.261 2.377 10 0 AEAERN C[C@H](O)C12CCC([C@@H](C)O)(CC1)CC2 238423445 573517975 /nfs/dbraw/zinc/51/79/75/573517975.db2.gz ZTRRCRXCSBNPML-ZYANWLCNSA-N 0 0 198.306 2.089 10 0 AEAERN COC(=O)[C@@H](F)c1ccc(F)cc1 257822768 573517979 /nfs/dbraw/zinc/51/79/79/573517979.db2.gz GIOHHCQUQQGMEP-QMMMGPOBSA-N 0 0 186.157 2.009 10 0 AEAERN Cc1cc(C[C@@H](C)CO)cs1 83454122 573518003 /nfs/dbraw/zinc/51/80/03/573518003.db2.gz HSVBIJKJTYQGHL-SSDOTTSWSA-N 0 0 170.277 2.227 10 0 AEAERN C[C@H](O)[C@H](F)Cc1cccc(F)c1 257822747 573518030 /nfs/dbraw/zinc/51/80/30/573518030.db2.gz GHYFQSVLVKGTBM-OIBJUYFYSA-N 0 0 186.201 2.087 10 0 AEAERN Cc1cc(O)c2[nH]c(C)c(C=O)c2c1 257822644 573518079 /nfs/dbraw/zinc/51/80/79/573518079.db2.gz GKBRPBMOFZNLED-UHFFFAOYSA-N 0 0 189.214 2.303 10 0 AEAERN CCC(=O)Nc1ccnc(Cl)c1 75282627 573518164 /nfs/dbraw/zinc/51/81/64/573518164.db2.gz HKYRMRXRJAXMOP-UHFFFAOYSA-N 0 0 184.626 2.084 10 0 AEAERN c1ccc2c(c1)CC[C@@H]1[C@@H]3C[C@@H]3CN21 257824039 573518304 /nfs/dbraw/zinc/51/83/04/573518304.db2.gz GQFWADAHAGXRCK-NQBHXWOUSA-N 0 0 185.270 2.458 10 0 AEAERN On1ccc2nc3ccccc3c-2c1 100533589 573518381 /nfs/dbraw/zinc/51/83/81/573518381.db2.gz QKTURBDTVVLBEC-UHFFFAOYSA-N 0 0 184.198 2.378 10 0 AEAERN CC[C@H](C)Cc1ncc(OC)c(F)n1 690225713 573518392 /nfs/dbraw/zinc/51/83/92/573518392.db2.gz QDTPEELSLJHTBV-ZETCQYMHSA-N 0 0 198.241 2.213 10 0 AEAERN C[C@H](O)[C@@H]1C=CCCCC1 238423843 573518401 /nfs/dbraw/zinc/51/84/01/573518401.db2.gz MKFOZUDUGFBBNQ-DTWKUNHWSA-N 0 0 140.226 2.114 10 0 AEAERN Nc1ncccc1-c1ccsc1 83453216 573518407 /nfs/dbraw/zinc/51/84/07/573518407.db2.gz VBBVVINBWHLVGU-UHFFFAOYSA-N 0 0 176.244 2.392 10 0 AEAERN Cc1nc(C(C)C)ccc1O 211869835 573518414 /nfs/dbraw/zinc/51/84/14/573518414.db2.gz YJAGZTVOFUSWDE-UHFFFAOYSA-N 0 0 151.209 2.219 10 0 AEAERN C[C@@H]1CC(CO)=CC(C)(C)C1 238423883 573518654 /nfs/dbraw/zinc/51/86/54/573518654.db2.gz AKWYFYHAKKCGJI-MRVPVSSYSA-N 0 0 154.253 2.361 10 0 AEAERN C[C@@H]1CNc2cc(O)ccc2S1 258402079 573518504 /nfs/dbraw/zinc/51/85/04/573518504.db2.gz CGMGLWSSMGYOKL-ZCFIWIBFSA-N 0 0 181.260 2.298 10 0 AEAERN CSc1cccc(C=O)c1C=O 238423759 573518510 /nfs/dbraw/zinc/51/85/10/573518510.db2.gz YAYIPBXFBCQWJE-UHFFFAOYSA-N 0 0 180.228 2.034 10 0 AEAERN C[C@H](CCC1CC1)Nc1ccn(C)n1 308604615 573518556 /nfs/dbraw/zinc/51/85/56/573518556.db2.gz BLEJQTFOZBABSG-SECBINFHSA-N 0 0 193.294 2.411 10 0 AEAERN C[C@@]12CCC=C[C@H]1CC(=O)C2 238424807 573518583 /nfs/dbraw/zinc/51/85/83/573518583.db2.gz RXVDHNIHAMRMDV-WPRPVWTQSA-N 0 0 150.221 2.322 10 0 AEAERN CCSCC(=O)c1ccoc1 83484524 573527781 /nfs/dbraw/zinc/52/77/81/573527781.db2.gz USLAWMFPKBGFJL-UHFFFAOYSA-N 0 0 170.233 2.215 10 0 AEAERN COc1nccc(C(F)F)c1CF 238423476 573520453 /nfs/dbraw/zinc/52/04/53/573520453.db2.gz LVFLMAHDYWFARX-UHFFFAOYSA-N 0 0 191.152 2.497 10 0 AEAERN Oc1ccc2noc(C3CC3)c2c1 257822688 573520455 /nfs/dbraw/zinc/52/04/55/573520455.db2.gz GEIANIIXURELES-UHFFFAOYSA-N 0 0 175.187 2.411 10 0 AEAERN COC(=O)[C@H](F)c1ccc(F)cc1 257822767 573520464 /nfs/dbraw/zinc/52/04/64/573520464.db2.gz GIOHHCQUQQGMEP-MRVPVSSYSA-N 0 0 186.157 2.009 10 0 AEAERN C[C@@H](O)[C@@H](F)Cc1cccc(F)c1 257822748 573519929 /nfs/dbraw/zinc/51/99/29/573519929.db2.gz GHYFQSVLVKGTBM-XCBNKYQSSA-N 0 0 186.201 2.087 10 0 AEAERN Oc1ccc([C@H](F)[C@@H]2CCOC2)cc1 258046739 573519989 /nfs/dbraw/zinc/51/99/89/573519989.db2.gz JTUKOFGBBXEKIH-KOLCDFICSA-N 0 0 196.221 2.439 10 0 AEAERN CN(C)c1cc[nH]c2cc(=O)ccc1-2 257822526 573520007 /nfs/dbraw/zinc/52/00/07/573520007.db2.gz GHPSAXIOSXGNPL-UHFFFAOYSA-N 0 0 188.230 2.006 10 0 AEAERN CCCCc1c(N)c(C(C)C)nn1C 308604921 573520008 /nfs/dbraw/zinc/52/00/08/573520008.db2.gz WDILQUIPRZGBTG-UHFFFAOYSA-N 0 0 195.310 2.468 10 0 AEAERN C[C@H](O)[C@@H](F)Cc1cccc(F)c1 257822749 573520047 /nfs/dbraw/zinc/52/00/47/573520047.db2.gz GHYFQSVLVKGTBM-XVKPBYJWSA-N 0 0 186.201 2.087 10 0 AEAERN Cc1cccc(N(C)CC(C)(C)O)c1 258731649 573520152 /nfs/dbraw/zinc/52/01/52/573520152.db2.gz FAURVKBUOFHKBW-UHFFFAOYSA-N 0 0 193.290 2.202 10 0 AEAERN C=CC1=C([C@@H](C)O)CCCC1 238423918 573520221 /nfs/dbraw/zinc/52/02/21/573520221.db2.gz CKHQVFIHKSQUSS-MRVPVSSYSA-N 0 0 152.237 2.424 10 0 AEAERN CCCCC[C@H](CCSC)NN 130390953 573520270 /nfs/dbraw/zinc/52/02/70/573520270.db2.gz SKNDVGTWSVDGJZ-SECBINFHSA-N 0 0 190.356 2.152 10 0 AEAERN CC(=O)[C@H](C)[C@H](O)c1ccc(C)cc1 238423643 573520284 /nfs/dbraw/zinc/52/02/84/573520284.db2.gz PQCIGNNQOYZCQG-CABZTGNLSA-N 0 0 192.258 2.254 10 0 AEAERN CCCC1(c2ccc(N)cc2)COC1 258733907 573520320 /nfs/dbraw/zinc/52/03/20/573520320.db2.gz IZRTUWDJTCQVMO-UHFFFAOYSA-N 0 0 191.274 2.337 10 0 AEAERN CCCCC[C@@H](CCSC)NN 130390777 573520388 /nfs/dbraw/zinc/52/03/88/573520388.db2.gz SKNDVGTWSVDGJZ-VIFPVBQESA-N 0 0 190.356 2.152 10 0 AEAERN OC1(Cc2cccc3ccncc23)CC1 258046766 573520481 /nfs/dbraw/zinc/52/04/81/573520481.db2.gz GLAVKKRTQALXGW-UHFFFAOYSA-N 0 0 199.253 2.302 10 0 AEAERN CC(=O)[C@H](C)[C@H](O)c1cccc(C)c1 238423765 573520486 /nfs/dbraw/zinc/52/04/86/573520486.db2.gz SYARXWDRNZACJB-CABZTGNLSA-N 0 0 192.258 2.254 10 0 AEAERN COc1nccc(C)c1OC1CCC1 238424238 573520493 /nfs/dbraw/zinc/52/04/93/573520493.db2.gz VWIXOTUXOQNYNT-UHFFFAOYSA-N 0 0 193.246 2.330 10 0 AEAERN C[C@@]12CCC=C1CCCC2=O 238424307 573520572 /nfs/dbraw/zinc/52/05/72/573520572.db2.gz WHYPKQVNKAXKNG-SNVBAGLBSA-N 0 0 150.221 2.466 10 0 AEAERN COc1nccc(C)c1C(F)F 238423959 573520597 /nfs/dbraw/zinc/52/05/97/573520597.db2.gz KXYASXDOAMVADO-UHFFFAOYSA-N 0 0 173.162 2.336 10 0 AEAERN CC(F)(F)Cc1ccncc1 258733991 573520728 /nfs/dbraw/zinc/52/07/28/573520728.db2.gz JBQQOWNNKUIIMQ-UHFFFAOYSA-N 0 0 157.163 2.279 10 0 AEAERN CC[C@@H](CO)CNc1ccccc1C 258738370 573520825 /nfs/dbraw/zinc/52/08/25/573520825.db2.gz VWCJDHUSFZCTJD-LLVKDONJSA-N 0 0 193.290 2.425 10 0 AEAERN CC[C@]1(c2ccccc2O)C[C@@H]1CO 257823642 573520881 /nfs/dbraw/zinc/52/08/81/573520881.db2.gz GOJAOCBJMBHVQB-SKDRFNHKSA-N 0 0 192.258 2.052 10 0 AEAERN Cc1ccc2c(O)cc(N)cc2c1 257827016 573520917 /nfs/dbraw/zinc/52/09/17/573520917.db2.gz HSCWPQODMMSXPS-UHFFFAOYSA-N 0 0 173.215 2.436 10 0 AEAERN CCCc1nccn1[C@@H]1CCC(=O)C1 86619251 573521015 /nfs/dbraw/zinc/52/10/15/573521015.db2.gz FXHODIFESLVTRG-SECBINFHSA-N 0 0 192.262 2.130 10 0 AEAERN Cc1cc(F)ccc1[C@H](F)CO 257826672 573521071 /nfs/dbraw/zinc/52/10/71/573521071.db2.gz HEKKTOBVTWAPGW-SECBINFHSA-N 0 0 172.174 2.137 10 0 AEAERN CC(C)C(=O)CC[C@H](C)CCO 33607968 573521189 /nfs/dbraw/zinc/52/11/89/573521189.db2.gz DCMADGNDUAGIQQ-VIFPVBQESA-N 0 0 172.268 2.010 10 0 AEAERN C[C@@H]1Nc2ccc(F)cc2N[C@@H]1C 238424374 573521387 /nfs/dbraw/zinc/52/13/87/573521387.db2.gz WZSVDVDFWXNIBG-NKWVEPMBSA-N 0 0 180.226 2.440 10 0 AEAERN C[C@@H]1CCC[C@](C)(CF)C1=O 238423501 573521248 /nfs/dbraw/zinc/52/12/48/573521248.db2.gz GPJHSQFDZIQBBH-VXNVDRBHSA-N 0 0 158.216 2.351 10 0 AEAERN C[C@@H](O)C1=CCc2ccccc21 238424614 573521262 /nfs/dbraw/zinc/52/12/62/573521262.db2.gz BPPZOMGBXCSOEU-MRVPVSSYSA-N 0 0 160.216 2.007 10 0 AEAERN C[C@H](O)[C@@H]1CC=C(Cl)CC1 238423461 573521277 /nfs/dbraw/zinc/52/12/77/573521277.db2.gz XFUHWVCJEVQEFZ-NKWVEPMBSA-N 0 0 160.644 2.290 10 0 AEAERN CC[C@@]1(c2ccccc2O)C[C@@H]1CO 257823634 573521324 /nfs/dbraw/zinc/52/13/24/573521324.db2.gz GOJAOCBJMBHVQB-BXKDBHETSA-N 0 0 192.258 2.052 10 0 AEAERN CC1=C([C@@H](C)O)CCCC1 238423715 573521331 /nfs/dbraw/zinc/52/13/31/573521331.db2.gz RGZLLBGKLJMQJG-MRVPVSSYSA-N 0 0 140.226 2.258 10 0 AEAERN CCCC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C 50565878 573522264 /nfs/dbraw/zinc/52/22/64/573522264.db2.gz DTRIRYIKWTZQHA-MNOVXSKESA-N 0 0 197.322 2.476 10 0 AEAERN CCOCc1c[nH]c2ccc(O)cc12 258057688 573523382 /nfs/dbraw/zinc/52/33/82/573523382.db2.gz OVCFKWDBIOLYFK-UHFFFAOYSA-N 0 0 191.230 2.410 10 0 AEAERN O=Cc1ncnc2ccc(Cl)cc12 257823612 573523086 /nfs/dbraw/zinc/52/30/86/573523086.db2.gz GNZVBNQNIADBDX-UHFFFAOYSA-N 0 0 192.605 2.096 10 0 AEAERN COc1cccc(C[C@H](F)C(C)=O)c1 257826799 573523136 /nfs/dbraw/zinc/52/31/36/573523136.db2.gz HQTLBEWPKKRQGB-NSHDSACASA-N 0 0 196.221 2.165 10 0 AEAERN CCN1c2cccc(C=O)c2C[C@H]1C 258057266 573523246 /nfs/dbraw/zinc/52/32/46/573523246.db2.gz LODCKRJCRDMXOC-SECBINFHSA-N 0 0 189.258 2.270 10 0 AEAERN CC(C)C[C@@H](O)Cc1ccco1 130386606 573523248 /nfs/dbraw/zinc/52/32/48/573523248.db2.gz ALHICMXKQKTWPA-SECBINFHSA-N 0 0 168.236 2.229 10 0 AEAERN CSc1ccccc1[C@H](F)CO 257823583 573523348 /nfs/dbraw/zinc/52/33/48/573523348.db2.gz FOWZHQQJFCUQPW-MRVPVSSYSA-N 0 0 186.251 2.411 10 0 AEAERN CC(=O)N(C)c1ccc(Cl)s1 258751699 573523365 /nfs/dbraw/zinc/52/33/65/573523365.db2.gz KPUWIOALFVPILV-UHFFFAOYSA-N 0 0 189.667 2.384 10 0 AEAERN CCSCc1ncc(C=O)s1 83485985 573525979 /nfs/dbraw/zinc/52/59/79/573525979.db2.gz FPQDQOUNFCKDPD-UHFFFAOYSA-N 0 0 187.289 2.209 10 0 AEAERN Cc1cc(F)ccc1[C@@H](F)CO 257826673 573525980 /nfs/dbraw/zinc/52/59/80/573525980.db2.gz HEKKTOBVTWAPGW-VIFPVBQESA-N 0 0 172.174 2.137 10 0 AEAERN CCSCc1nc(C)cc(NC)n1 83486090 573525994 /nfs/dbraw/zinc/52/59/94/573525994.db2.gz OOWPUKABRJWJFT-UHFFFAOYSA-N 0 0 197.307 2.080 10 0 AEAERN COC[C@H]1CCCc2cccc(O)c21 257823693 573524397 /nfs/dbraw/zinc/52/43/97/573524397.db2.gz GPFMPAAOCBYPSG-SNVBAGLBSA-N 0 0 192.258 2.459 10 0 AEAERN Cc1ccccc1O[C@@H]1CC[C@@H](O)C1 86621456 573524428 /nfs/dbraw/zinc/52/44/28/573524428.db2.gz SUQSUDMHMLRCLX-GHMZBOCLSA-N 0 0 192.258 2.287 10 0 AEAERN O[C@H]1CC[C@H](OCC2CCCC2)C1 86621674 573526031 /nfs/dbraw/zinc/52/60/31/573526031.db2.gz DPTQCJWAYZOTJQ-QWRGUYRKSA-N 0 0 184.279 2.107 10 0 AEAERN O[C@@H]1CC[C@H](Oc2ccc(F)cc2)C1 86621461 573524512 /nfs/dbraw/zinc/52/45/12/573524512.db2.gz SJKMOIYGBQPWPF-KOLCDFICSA-N 0 0 196.221 2.118 10 0 AEAERN C[C@@H](O)C=C=Cc1ccccc1 238425796 573524543 /nfs/dbraw/zinc/52/45/43/573524543.db2.gz PVVHIZRLYUXQAK-URYLQHRCSA-N 0 0 160.216 2.236 10 0 AEAERN Cc1ccccc1O[C@H]1CC[C@H](O)C1 86621455 573524707 /nfs/dbraw/zinc/52/47/07/573524707.db2.gz SUQSUDMHMLRCLX-QWRGUYRKSA-N 0 0 192.258 2.287 10 0 AEAERN O[C@H]1CC[C@@H](OCC2CCCC2)C1 86621673 573524747 /nfs/dbraw/zinc/52/47/47/573524747.db2.gz DPTQCJWAYZOTJQ-WDEREUQCSA-N 0 0 184.279 2.107 10 0 AEAERN Cc1cccc(O[C@@H]2CC[C@H](O)C2)c1 86621450 573524826 /nfs/dbraw/zinc/52/48/26/573524826.db2.gz YMXQZQNUZMAOEK-CMPLNLGQSA-N 0 0 192.258 2.287 10 0 AEAERN CC[C@@H](CO)CNc1ccc(C)cc1 258746384 573524852 /nfs/dbraw/zinc/52/48/52/573524852.db2.gz WRSTVGOSUWNOGX-LLVKDONJSA-N 0 0 193.290 2.425 10 0 AEAERN C[C@@H]1CC/C=C/CCC1=O 238426012 573524874 /nfs/dbraw/zinc/52/48/74/573524874.db2.gz XEWMANJZOMVVQA-UFUPEUMYSA-N 0 0 138.210 2.322 10 0 AEAERN C[C@@H]1SC(=N)Nc2ccccc21 238425840 573524880 /nfs/dbraw/zinc/52/48/80/573524880.db2.gz OBJKBAIJJMUPHZ-LURJTMIESA-N 0 0 178.260 2.441 10 0 AEAERN Cc1nc2cccnc2n1CC(C)C 258745971 573524950 /nfs/dbraw/zinc/52/49/50/573524950.db2.gz OVXWPWUIANQEFL-UHFFFAOYSA-N 0 0 189.262 2.396 10 0 AEAERN C/C=C\C1(O)CCCCC1 166353245 573525012 /nfs/dbraw/zinc/52/50/12/573525012.db2.gz GZNNZZDBIAGVDE-KXFIGUGUSA-N 0 0 140.226 2.258 10 0 AEAERN CC(F)(F)C[C@@H]1CCSC[C@@H]1O 258056916 573525121 /nfs/dbraw/zinc/52/51/21/573525121.db2.gz KKTQPYAAJCYCFZ-BQBZGAKWSA-N 0 0 196.262 2.146 10 0 AEAERN Cc1ccccc1O[C@@H]1CC[C@H](O)C1 86621454 573525167 /nfs/dbraw/zinc/52/51/67/573525167.db2.gz SUQSUDMHMLRCLX-WDEREUQCSA-N 0 0 192.258 2.287 10 0 AEAERN CCc1onc2cc(C=O)ccc12 257826999 573525169 /nfs/dbraw/zinc/52/51/69/573525169.db2.gz HRDBUBHIWMMYOZ-UHFFFAOYSA-N 0 0 175.187 2.203 10 0 AEAERN CCC(C)(C)O[C@H]1CC[C@H](O)C1 86621550 573525177 /nfs/dbraw/zinc/52/51/77/573525177.db2.gz WTWMINOILZNWES-IUCAKERBSA-N 0 0 172.268 2.105 10 0 AEAERN C[C@@H](O)C12[C@H]3CC(C[C@H]31)C2(C)C 238425441 573525196 /nfs/dbraw/zinc/52/51/96/573525196.db2.gz FIGTUSBMTLEEFQ-SIFPBSKNSA-N 0 0 166.264 2.049 10 0 AEAERN Fc1ccc(COc2cn[nH]c2)cc1 258751598 573525247 /nfs/dbraw/zinc/52/52/47/573525247.db2.gz WMKXICVCSJLIFP-UHFFFAOYSA-N 0 0 192.193 2.128 10 0 AEAERN Cn1cc(C2CCCCCC2)c(N)n1 257823643 573525291 /nfs/dbraw/zinc/52/52/91/573525291.db2.gz FSLVVZYTVMMXCS-UHFFFAOYSA-N 0 0 193.294 2.440 10 0 AEAERN C[C@](CO)(COC1CCCC1)C1CC1 308613965 573525364 /nfs/dbraw/zinc/52/53/64/573525364.db2.gz RHOYNBFLVUFEKJ-LBPRGKRZSA-N 0 0 198.306 2.354 10 0 AEAERN O[C@@H]1CC[C@@H](OCC2CCCCC2)C1 86621615 573525521 /nfs/dbraw/zinc/52/55/21/573525521.db2.gz GLHBCJYMFSNICH-VXGBXAGGSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@@H](CO)c1ccc(C(C)(C)O)cc1 259489539 573525530 /nfs/dbraw/zinc/52/55/30/573525530.db2.gz PWCSFGYGCNVAQO-VIFPVBQESA-N 0 0 194.274 2.010 10 0 AEAERN C[C@@H]1CCC[C@H]2C[C@@H]2C(=O)C1 238425445 573525538 /nfs/dbraw/zinc/52/55/38/573525538.db2.gz FQGVDGQOEFIYQI-VGMNWLOBSA-N 0 0 152.237 2.402 10 0 AEAERN CC[C@@]1(c2ccccc2O)C[C@H]1CO 257823640 573525694 /nfs/dbraw/zinc/52/56/94/573525694.db2.gz GOJAOCBJMBHVQB-JOYOIKCWSA-N 0 0 192.258 2.052 10 0 AEAERN Cc1ccccc1O[C@H]1CC[C@@H](O)C1 86621457 573525710 /nfs/dbraw/zinc/52/57/10/573525710.db2.gz SUQSUDMHMLRCLX-MNOVXSKESA-N 0 0 192.258 2.287 10 0 AEAERN CCCC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1C 50565877 573525722 /nfs/dbraw/zinc/52/57/22/573525722.db2.gz DTRIRYIKWTZQHA-QWRGUYRKSA-N 0 0 197.322 2.476 10 0 AEAERN C[C@H](O)CC(C)(C)[C@@H]1CC[C@@H](C)O1 238426118 573525782 /nfs/dbraw/zinc/52/57/82/573525782.db2.gz XCOFEQXGDJSNKJ-AEJSXWLSSA-N 0 0 186.295 2.351 10 0 AEAERN C[C@H](CO)c1ccc(C(C)(C)O)cc1 259489538 573525849 /nfs/dbraw/zinc/52/58/49/573525849.db2.gz PWCSFGYGCNVAQO-SECBINFHSA-N 0 0 194.274 2.010 10 0 AEAERN C[C@H]1CCC[N@H+]([C@@H]2CCCC2=O)[C@@H]1C 50565950 573525857 /nfs/dbraw/zinc/52/58/57/573525857.db2.gz YNDGSYFMSIWREO-HBNTYKKESA-N 0 0 195.306 2.228 10 0 AEAERN C[C@]12CC=C[C@H]1C(=O)CCC2 238425734 573525968 /nfs/dbraw/zinc/52/59/68/573525968.db2.gz ZWAHECCSJCXKOS-WCBMZHEXSA-N 0 0 150.221 2.322 10 0 AEAERN O[C@@H]1CC[C@@H](Oc2ccc(F)cc2)C1 86621460 573526441 /nfs/dbraw/zinc/52/64/41/573526441.db2.gz SJKMOIYGBQPWPF-MWLCHTKSSA-N 0 0 196.221 2.118 10 0 AEAERN COCCCC[C@H](O)c1ccoc1C 308612643 573526088 /nfs/dbraw/zinc/52/60/88/573526088.db2.gz YUKSAGKUNFFBPD-NSHDSACASA-N 0 0 198.262 2.438 10 0 AEAERN COC[C@@H]1CCCc2cccc(O)c21 257823691 573526187 /nfs/dbraw/zinc/52/61/87/573526187.db2.gz GPFMPAAOCBYPSG-JTQLQIEISA-N 0 0 192.258 2.459 10 0 AEAERN O=C1CC[C@H](OCc2cccs2)C1 86619875 573526197 /nfs/dbraw/zinc/52/61/97/573526197.db2.gz AGGGTZVFJRFQTQ-VIFPVBQESA-N 0 0 196.271 2.386 10 0 AEAERN CC(=O)[C@@H]1CNc2ccc(Cl)cc21 258046823 573526216 /nfs/dbraw/zinc/52/62/16/573526216.db2.gz KYYXCFWEPRAKTG-VIFPVBQESA-N 0 0 195.649 2.438 10 0 AEAERN Cc1cccc(O[C@H]2CC[C@@H](O)C2)c1 86621453 573526351 /nfs/dbraw/zinc/52/63/51/573526351.db2.gz YMXQZQNUZMAOEK-PWSUYJOCSA-N 0 0 192.258 2.287 10 0 AEAERN Cc1ccc2nc(C3CCC3)nn2c1 258057905 573526391 /nfs/dbraw/zinc/52/63/91/573526391.db2.gz UYKSHDIPOOJXGQ-UHFFFAOYSA-N 0 0 187.246 2.305 10 0 AEAERN O[C@@H]1CC[C@@H](Oc2ccccc2F)C1 86621436 573526395 /nfs/dbraw/zinc/52/63/95/573526395.db2.gz HQOWOXXTDMWLCT-RKDXNWHRSA-N 0 0 196.221 2.118 10 0 AEAERN CC(=O)c1cc([C@H]2CCSC2)on1 258406375 573526398 /nfs/dbraw/zinc/52/63/98/573526398.db2.gz CRSXJTXSRJVBMI-ZETCQYMHSA-N 0 0 197.259 2.098 10 0 AEAERN COc1cccc(C2(Cl)COC2)c1 258753045 573526456 /nfs/dbraw/zinc/52/64/56/573526456.db2.gz RKTTVJFFMCBLIU-UHFFFAOYSA-N 0 0 198.649 2.160 10 0 AEAERN C[C@H](O)CC(C)(C)[C@H]1CC[C@@H](C)O1 238426140 573526415 /nfs/dbraw/zinc/52/64/15/573526415.db2.gz XCOFEQXGDJSNKJ-IVZWLZJFSA-N 0 0 186.295 2.351 10 0 AEAERN Nc1ccc(Nc2cc[nH]c2)cc1F 258744300 573526418 /nfs/dbraw/zinc/52/64/18/573526418.db2.gz HZDSGXUPWCSACU-UHFFFAOYSA-N 0 0 191.209 2.480 10 0 AEAERN COc1nccc(F)c1C(F)F 238425735 573526425 /nfs/dbraw/zinc/52/64/25/573526425.db2.gz NQJWNABIIOMSNQ-UHFFFAOYSA-N 0 0 177.125 2.167 10 0 AEAERN O[C@@H]1CC[C@@H](Oc2cccc(F)c2)C1 86621472 573527416 /nfs/dbraw/zinc/52/74/16/573527416.db2.gz GWCFIJQSTRLOJJ-MWLCHTKSSA-N 0 0 196.221 2.118 10 0 AEAERN C[C@]1(c2ccc(F)cc2)COC(=O)C1 257828040 573527426 /nfs/dbraw/zinc/52/74/26/573527426.db2.gz IEFQEZDZOUQZFT-LLVKDONJSA-N 0 0 194.205 2.030 10 0 AEAERN Cc1ccc(O[C@H]2CC[C@@H](O)C2)cc1 86621492 573527457 /nfs/dbraw/zinc/52/74/57/573527457.db2.gz SBNDIPZDYJZMFD-PWSUYJOCSA-N 0 0 192.258 2.287 10 0 AEAERN CCOc1ccccc1[C@@](C)(F)CO 257827150 573527469 /nfs/dbraw/zinc/52/74/69/573527469.db2.gz HMVOMSCLUXCAAJ-NSHDSACASA-N 0 0 198.237 2.262 10 0 AEAERN CCC(C)(C)O[C@@H]1CC[C@@H](O)C1 86621551 573527484 /nfs/dbraw/zinc/52/74/84/573527484.db2.gz WTWMINOILZNWES-RKDXNWHRSA-N 0 0 172.268 2.105 10 0 AEAERN O[C@@H]1CC[C@@H](OCC2CCCC2)C1 86621675 573527489 /nfs/dbraw/zinc/52/74/89/573527489.db2.gz DPTQCJWAYZOTJQ-GHMZBOCLSA-N 0 0 184.279 2.107 10 0 AEAERN CCOc1ccccc1[C@](C)(F)CO 257827148 573527560 /nfs/dbraw/zinc/52/75/60/573527560.db2.gz HMVOMSCLUXCAAJ-LLVKDONJSA-N 0 0 198.237 2.262 10 0 AEAERN COC[C@@H]1CCc2ccc(N)cc2C1 257828011 573527573 /nfs/dbraw/zinc/52/75/73/573527573.db2.gz ICMRMRWRXVYVRU-SECBINFHSA-N 0 0 191.274 2.020 10 0 AEAERN CCCSCc1noc(Cl)n1 83487860 573527589 /nfs/dbraw/zinc/52/75/89/573527589.db2.gz MFWONAUUYZNFFB-UHFFFAOYSA-N 0 0 192.671 2.366 10 0 AEAERN CCSC[C@@H](O)C1CCCC1 83484986 573527683 /nfs/dbraw/zinc/52/76/83/573527683.db2.gz HGFURZIGLACMHR-SECBINFHSA-N 0 0 174.309 2.291 10 0 AEAERN O[C@H]1CC[C@@H](Oc2cccc(F)c2)C1 86621470 573527690 /nfs/dbraw/zinc/52/76/90/573527690.db2.gz GWCFIJQSTRLOJJ-GXSJLCMTSA-N 0 0 196.221 2.118 10 0 AEAERN O[C@@H]1CC[C@H](OCC2CCCC2)C1 86621676 573527722 /nfs/dbraw/zinc/52/77/22/573527722.db2.gz DPTQCJWAYZOTJQ-MNOVXSKESA-N 0 0 184.279 2.107 10 0 AEAERN O[C@H]1CC[C@H](Oc2cccc(F)c2)C1 86621471 573527735 /nfs/dbraw/zinc/52/77/35/573527735.db2.gz GWCFIJQSTRLOJJ-ONGXEEELSA-N 0 0 196.221 2.118 10 0 AEAERN Cc1ocnc1-c1ccccc1N 107333792 573527751 /nfs/dbraw/zinc/52/77/51/573527751.db2.gz XHSKAGMLBPZENX-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN CCSCc1nc(C=O)cs1 83484453 573527752 /nfs/dbraw/zinc/52/77/52/573527752.db2.gz JZXBEIQHNPBEKE-UHFFFAOYSA-N 0 0 187.289 2.209 10 0 AEAERN Oc1cccc(N2CCC[C@H](F)C2)c1 258052520 573527757 /nfs/dbraw/zinc/52/77/57/573527757.db2.gz KCKXGTSNFWGGTE-VIFPVBQESA-N 0 0 195.237 2.331 10 0 AEAERN CCCSC[C@@H](O)CCC 83486991 573527759 /nfs/dbraw/zinc/52/77/59/573527759.db2.gz KGQOPLKXLCFAEV-QMMMGPOBSA-N 0 0 162.298 2.291 10 0 AEAERN COC1(c2ccc(C)cc2C)COC1 258750039 573527760 /nfs/dbraw/zinc/52/77/60/573527760.db2.gz RBLKDAFDZLJILB-UHFFFAOYSA-N 0 0 192.258 2.175 10 0 AEAERN CNCC(F)(F)C[C@H]1CCCS1 257829712 573527805 /nfs/dbraw/zinc/52/78/05/573527805.db2.gz IUGIKHUJNUDUKI-SSDOTTSWSA-N 0 0 195.278 2.127 10 0 AEAERN C[C@]12CC=C[C@@H]1C(=O)CCC2 238426448 573527833 /nfs/dbraw/zinc/52/78/33/573527833.db2.gz ZWAHECCSJCXKOS-PSASIEDQSA-N 0 0 150.221 2.322 10 0 AEAERN Nc1c(F)cc2[nH]ccc2c1F 258052494 573527874 /nfs/dbraw/zinc/52/78/74/573527874.db2.gz RQYBMAACNBSHNI-UHFFFAOYSA-N 0 0 168.146 2.028 10 0 AEAERN CC(C)c1nccn1[C@H]1CC[C@H](O)C1 86621092 573527883 /nfs/dbraw/zinc/52/78/83/573527883.db2.gz GRYLSZLTQCPJPH-UWVGGRQHSA-N 0 0 194.278 2.092 10 0 AEAERN Cc1c(C=O)cnc2ccc(F)cc12 257827595 573527912 /nfs/dbraw/zinc/52/79/12/573527912.db2.gz HYMVMQLOBCQGAG-UHFFFAOYSA-N 0 0 189.189 2.495 10 0 AEAERN Cc1cccc(O[C@@H]2CC[C@@H](O)C2)c1 86621452 573527913 /nfs/dbraw/zinc/52/79/13/573527913.db2.gz YMXQZQNUZMAOEK-ZYHUDNBSSA-N 0 0 192.258 2.287 10 0 AEAERN CC[C@@]1(COC)Cc2ccccc2N1 258052256 573527915 /nfs/dbraw/zinc/52/79/15/573527915.db2.gz FTNZQIITFMMKRL-LBPRGKRZSA-N 0 0 191.274 2.450 10 0 AEAERN C=CC(=C=C(C)C)C[C@H](C)O 238426257 573527918 /nfs/dbraw/zinc/52/79/18/573527918.db2.gz HPDAOKFMIRVDPV-VIFPVBQESA-N 0 0 152.237 2.435 10 0 AEAERN CC(=O)c1noc2c1[C@](C)(F)CCC2 257828073 573527943 /nfs/dbraw/zinc/52/79/43/573527943.db2.gz IFZKVFLOOBCHPZ-SNVBAGLBSA-N 0 0 197.209 2.398 10 0 AEAERN CCC(C)(C)O[C@H]1CC[C@@H](O)C1 86621552 573527955 /nfs/dbraw/zinc/52/79/55/573527955.db2.gz WTWMINOILZNWES-BDAKNGLRSA-N 0 0 172.268 2.105 10 0 AEAERN Nc1c(Cl)noc1C1CCC1 257827462 573527978 /nfs/dbraw/zinc/52/79/78/573527978.db2.gz HWJQNWZPWFMXOX-UHFFFAOYSA-N 0 0 172.615 2.178 10 0 AEAERN CCCSCC(=N)OCC 83487862 573528016 /nfs/dbraw/zinc/52/80/16/573528016.db2.gz NWNGBAKJRRUIKY-UHFFFAOYSA-N 0 0 161.270 2.143 10 0 AEAERN CC(C)n1nc(N)cc1C(C)(C)C 257827957 573528018 /nfs/dbraw/zinc/52/80/18/573528018.db2.gz IAQCELJLENOJAQ-UHFFFAOYSA-N 0 0 181.283 2.344 10 0 AEAERN CCCSC[C@H](O)C(C)C 83486849 573528027 /nfs/dbraw/zinc/52/80/27/573528027.db2.gz QHGHEKGAVCRKLG-QMMMGPOBSA-N 0 0 162.298 2.147 10 0 AEAERN CCSC[C@H](O)C1CCCC1 83484985 573528047 /nfs/dbraw/zinc/52/80/47/573528047.db2.gz HGFURZIGLACMHR-VIFPVBQESA-N 0 0 174.309 2.291 10 0 AEAERN C[C@H](O[C@H]1CCC(=O)C1)C(F)(F)F 86620016 573528061 /nfs/dbraw/zinc/52/80/61/573528061.db2.gz XPCMASOSDFNYHG-FSPLSTOPSA-N 0 0 196.168 2.075 10 0 AEAERN Cc1ccc(O[C@@H]2CC[C@@H](O)C2)cc1 86621491 573528070 /nfs/dbraw/zinc/52/80/70/573528070.db2.gz SBNDIPZDYJZMFD-ZYHUDNBSSA-N 0 0 192.258 2.287 10 0 AEAERN Cc1ccccc1-c1c[nH]nc1C=O 257827219 573528080 /nfs/dbraw/zinc/52/80/80/573528080.db2.gz HQWWVKQCVAQXPQ-UHFFFAOYSA-N 0 0 186.214 2.198 10 0 AEAERN CC(=O)[C@@H](F)CC1CCSCC1 257827667 573528098 /nfs/dbraw/zinc/52/80/98/573528098.db2.gz IBNXXMPTAAEZON-VIFPVBQESA-N 0 0 190.283 2.447 10 0 AEAERN Oc1ccc([C@@]23CC[C@@H](CO2)C3)cc1 258059412 573528118 /nfs/dbraw/zinc/52/81/18/573528118.db2.gz HFVHGZPISGRABI-SKDRFNHKSA-N 0 0 190.242 2.418 10 0 AEAERN CCSC[C@@H](O)C(C)(C)C 83484938 573528142 /nfs/dbraw/zinc/52/81/42/573528142.db2.gz CVWKGWISDQWSAY-SSDOTTSWSA-N 0 0 162.298 2.147 10 0 AEAERN C[C@](F)(CO)c1cccc(F)c1 257827817 573528188 /nfs/dbraw/zinc/52/81/88/573528188.db2.gz IAMLRLGJSRNXCA-VIFPVBQESA-N 0 0 172.174 2.003 10 0 AEAERN CCSC[C@H](O)C(C)(C)C 83484937 573528239 /nfs/dbraw/zinc/52/82/39/573528239.db2.gz CVWKGWISDQWSAY-ZETCQYMHSA-N 0 0 162.298 2.147 10 0 AEAERN Cc1ccc(CC(C)(C)ON)cc1 259488972 573528271 /nfs/dbraw/zinc/52/82/71/573528271.db2.gz PJIGZZKNXHEPHK-UHFFFAOYSA-N 0 0 179.263 2.206 10 0 AEAERN C[C@]12C=CC[C@@H]1C(=O)CCC2 238426508 573528273 /nfs/dbraw/zinc/52/82/73/573528273.db2.gz ABPUKWIWHXYOBG-PSASIEDQSA-N 0 0 150.221 2.322 10 0 AEAERN O[C@H]1CC[C@H](OCC2CCCCC2)C1 86621614 573528295 /nfs/dbraw/zinc/52/82/95/573528295.db2.gz GLHBCJYMFSNICH-RYUDHWBXSA-N 0 0 198.306 2.497 10 0 AEAERN CCSC[C@H](O)CC(C)C 83484759 573530403 /nfs/dbraw/zinc/53/04/03/573530403.db2.gz GXXUMQGZBSJDPA-MRVPVSSYSA-N 0 0 162.298 2.147 10 0 AEAERN Cc1cccc(O[C@H]2CC[C@H](O)C2)c1 86621451 573528303 /nfs/dbraw/zinc/52/83/03/573528303.db2.gz YMXQZQNUZMAOEK-JQWIXIFHSA-N 0 0 192.258 2.287 10 0 AEAERN CC(=O)[C@H](F)CC1CCSCC1 257827665 573528307 /nfs/dbraw/zinc/52/83/07/573528307.db2.gz IBNXXMPTAAEZON-SECBINFHSA-N 0 0 190.283 2.447 10 0 AEAERN C[C@@]1(c2ccc(F)cc2)COC(=O)C1 257828041 573528314 /nfs/dbraw/zinc/52/83/14/573528314.db2.gz IEFQEZDZOUQZFT-NSHDSACASA-N 0 0 194.205 2.030 10 0 AEAERN CC(C)c1nccn1[C@@H]1CC[C@H](O)C1 86621091 573528325 /nfs/dbraw/zinc/52/83/25/573528325.db2.gz GRYLSZLTQCPJPH-ZJUUUORDSA-N 0 0 194.278 2.092 10 0 AEAERN Cc1nc(-c2ccccc2N)co1 107333790 573528413 /nfs/dbraw/zinc/52/84/13/573528413.db2.gz KEWWPVPOXMJCTJ-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN O[C@@H]1CC[C@H](Oc2ccccc2F)C1 86621437 573528428 /nfs/dbraw/zinc/52/84/28/573528428.db2.gz HQOWOXXTDMWLCT-BDAKNGLRSA-N 0 0 196.221 2.118 10 0 AEAERN O=C1CC[C@H](C(=O)C2CCCC2)C1 86622500 573530413 /nfs/dbraw/zinc/53/04/13/573530413.db2.gz UVFXMZWZMYGOQO-VIFPVBQESA-N 0 0 180.247 2.115 10 0 AEAERN CCSC[C@@H](O)CC(C)C 83484760 573528476 /nfs/dbraw/zinc/52/84/76/573528476.db2.gz GXXUMQGZBSJDPA-QMMMGPOBSA-N 0 0 162.298 2.147 10 0 AEAERN C[C@H](O[C@@H]1CCC(=O)C1)C(F)(F)F 86620014 573528501 /nfs/dbraw/zinc/52/85/01/573528501.db2.gz XPCMASOSDFNYHG-CAHLUQPWSA-N 0 0 196.168 2.075 10 0 AEAERN Cc1cc(F)c(C(C)(C)O)cc1O 258059212 573528511 /nfs/dbraw/zinc/52/85/11/573528511.db2.gz LFCHADDADMVMIM-UHFFFAOYSA-N 0 0 184.210 2.067 10 0 AEAERN C[C@H](CO)c1ccc2c(c1F)CCC2 258059206 573528522 /nfs/dbraw/zinc/52/85/22/573528522.db2.gz LFBKGSRJTBIRJK-MRVPVSSYSA-N 0 0 194.249 2.410 10 0 AEAERN COc1cc(C)c(F)cc1[C@@H](C)CO 258058967 573528549 /nfs/dbraw/zinc/52/85/49/573528549.db2.gz HKGBPHQZNUJAQV-QMMMGPOBSA-N 0 0 198.237 2.239 10 0 AEAERN O[C@H]1CC[C@@H](Oc2ccc(F)cc2)C1 86621458 573528554 /nfs/dbraw/zinc/52/85/54/573528554.db2.gz SJKMOIYGBQPWPF-GXSJLCMTSA-N 0 0 196.221 2.118 10 0 AEAERN CNCC(F)(F)C[C@@H]1CCCS1 257829713 573528587 /nfs/dbraw/zinc/52/85/87/573528587.db2.gz IUGIKHUJNUDUKI-ZETCQYMHSA-N 0 0 195.278 2.127 10 0 AEAERN CC(C)N1CCNc2ccc(O)cc21 257827163 573530418 /nfs/dbraw/zinc/53/04/18/573530418.db2.gz HVPSBWHFTLWDHX-UHFFFAOYSA-N 0 0 192.262 2.033 10 0 AEAERN COC[C@H]1CCCc2ccc(N)cc21 257827602 573528653 /nfs/dbraw/zinc/52/86/53/573528653.db2.gz HYYPGQVIZONGHL-SNVBAGLBSA-N 0 0 191.274 2.335 10 0 AEAERN O[C@@H]1CC[C@H](Oc2cccc(F)c2)C1 86621473 573528675 /nfs/dbraw/zinc/52/86/75/573528675.db2.gz GWCFIJQSTRLOJJ-KOLCDFICSA-N 0 0 196.221 2.118 10 0 AEAERN CC(C)Cc1c(N)cnn1C(C)C 257827872 573528676 /nfs/dbraw/zinc/52/86/76/573528676.db2.gz HZIJKJSXJQZEGF-UHFFFAOYSA-N 0 0 181.283 2.245 10 0 AEAERN CC(C)c1nccn1[C@H]1CC[C@@H](O)C1 86621094 573528745 /nfs/dbraw/zinc/52/87/45/573528745.db2.gz GRYLSZLTQCPJPH-VHSXEESVSA-N 0 0 194.278 2.092 10 0 AEAERN CO[C@@H](CCO)C1CCCCCC1 257827883 573528755 /nfs/dbraw/zinc/52/87/55/573528755.db2.gz HZOIWEVSZREKCQ-NSHDSACASA-N 0 0 186.295 2.354 10 0 AEAERN CC(=O)CC/C=C(/C)CCCO 135750739 573528850 /nfs/dbraw/zinc/52/88/50/573528850.db2.gz IFMOISOLRHIDTB-UITAMQMPSA-N 0 0 170.252 2.074 10 0 AEAERN Nc1cc(-c2cccc3cc[nH]c23)on1 258058969 573528891 /nfs/dbraw/zinc/52/88/91/573528891.db2.gz HKJWLXLZORLNBZ-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN Cc1oc2cccc(CON)c2c1C 258059176 573528922 /nfs/dbraw/zinc/52/89/22/573528922.db2.gz LEPGCSUITDMSKQ-UHFFFAOYSA-N 0 0 191.230 2.440 10 0 AEAERN OCCCc1cccc2scnc12 258059324 573529068 /nfs/dbraw/zinc/52/90/68/573529068.db2.gz LHTFPAXMKCCHPK-UHFFFAOYSA-N 0 0 193.271 2.221 10 0 AEAERN CCSC[C@H](O)c1ccoc1 83484959 573529118 /nfs/dbraw/zinc/52/91/18/573529118.db2.gz HYCYZOBSVZQLIS-QMMMGPOBSA-N 0 0 172.249 2.066 10 0 AEAERN CC(C)=C(CO)C(C)(C)C 33609559 573529162 /nfs/dbraw/zinc/52/91/62/573529162.db2.gz SLNIZIFYEXEDLP-UHFFFAOYSA-N 0 0 142.242 2.361 10 0 AEAERN CCc1cc([C@@H](C)CO)ccc1F 258059198 573529173 /nfs/dbraw/zinc/52/91/73/573529173.db2.gz LEWKGIPWLRMIMW-QMMMGPOBSA-N 0 0 182.238 2.484 10 0 AEAERN CCSCc1nccc(Cl)n1 83484481 573529180 /nfs/dbraw/zinc/52/91/80/573529180.db2.gz ODSGCFNYENUJBR-UHFFFAOYSA-N 0 0 188.683 2.383 10 0 AEAERN CCCC(=O)N[C@H](C)Cc1ccoc1 585243598 573529213 /nfs/dbraw/zinc/52/92/13/573529213.db2.gz OVCUMNNJHQZLFU-SECBINFHSA-N 0 0 195.262 2.127 10 0 AEAERN NC1=CC=C2C=CC=C3C=CC=C1[C@H]32 258052472 573529218 /nfs/dbraw/zinc/52/92/18/573529218.db2.gz RQGGZHZCTJBTPU-CYBMUJFWSA-N 0 0 181.238 2.378 10 0 AEAERN OCc1ccc(CCCF)cc1 258058219 573529257 /nfs/dbraw/zinc/52/92/57/573529257.db2.gz SGZNMCOQJHQAEH-UHFFFAOYSA-N 0 0 168.211 2.081 10 0 AEAERN COC1(c2ccccc2[C@H](C)O)CC1 259492950 573529268 /nfs/dbraw/zinc/52/92/68/573529268.db2.gz QDLZCFIVYOVLQJ-VIFPVBQESA-N 0 0 192.258 2.375 10 0 AEAERN C[C@H](F)c1ccccc1CON 258058224 573529284 /nfs/dbraw/zinc/52/92/84/573529284.db2.gz SHAQYYSVSKTVES-ZETCQYMHSA-N 0 0 169.199 2.107 10 0 AEAERN CCCSC[C@@H](O)C(C)C 83486850 573529349 /nfs/dbraw/zinc/52/93/49/573529349.db2.gz QHGHEKGAVCRKLG-MRVPVSSYSA-N 0 0 162.298 2.147 10 0 AEAERN Nc1cnccc1-c1cccc(O)c1 257827434 573529386 /nfs/dbraw/zinc/52/93/86/573529386.db2.gz HVJKTXRBPVNKGT-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN COCc1cc(F)ccc1[C@@H](C)CO 258058694 573529508 /nfs/dbraw/zinc/52/95/08/573529508.db2.gz HGKUAARUOWIGLF-QMMMGPOBSA-N 0 0 198.237 2.068 10 0 AEAERN COc1c(C)ccc(C)c1[C@@H](C)O 258058336 573529522 /nfs/dbraw/zinc/52/95/22/573529522.db2.gz SIPIOWBGQGVTNN-SECBINFHSA-N 0 0 180.247 2.365 10 0 AEAERN CC(=O)[C@@H](C)[C@@H](O)c1cccc(C)c1 238429715 573529613 /nfs/dbraw/zinc/52/96/13/573529613.db2.gz SYARXWDRNZACJB-BXKDBHETSA-N 0 0 192.258 2.254 10 0 AEAERN CCSCC(=O)C1CCCC1 83484603 573529623 /nfs/dbraw/zinc/52/96/23/573529623.db2.gz UWQXTLCHOXXVHW-UHFFFAOYSA-N 0 0 172.293 2.499 10 0 AEAERN COc1cccc2c(C(C)=O)onc12 257827567 573529631 /nfs/dbraw/zinc/52/96/31/573529631.db2.gz HXJBZISJBFWLHI-UHFFFAOYSA-N 0 0 191.186 2.039 10 0 AEAERN CCOC(=O)N1CCCC(C)(C)C1 78570339 573529658 /nfs/dbraw/zinc/52/96/58/573529658.db2.gz HZXBWCMXOOEXIE-UHFFFAOYSA-N 0 0 185.267 2.265 10 0 AEAERN CSc1ccc(F)cc1CCO 258059089 573529667 /nfs/dbraw/zinc/52/96/67/573529667.db2.gz LDCVQTODKCSGJJ-UHFFFAOYSA-N 0 0 186.251 2.082 10 0 AEAERN CCCSC[C@H](O)CCC 83486992 573529674 /nfs/dbraw/zinc/52/96/74/573529674.db2.gz KGQOPLKXLCFAEV-MRVPVSSYSA-N 0 0 162.298 2.291 10 0 AEAERN Nc1cc(=O)[nH]c2c(Cl)cccc12 258058860 573530313 /nfs/dbraw/zinc/53/03/13/573530313.db2.gz KPVAOHBBXOLRLX-UHFFFAOYSA-N 0 0 194.621 2.176 10 0 AEAERN CC(=O)[C@@H](C)[C@@H](O)c1cccc(F)c1 238429724 573529702 /nfs/dbraw/zinc/52/97/02/573529702.db2.gz GKHCPKSURSIVKL-RDDDGLTNSA-N 0 0 196.221 2.084 10 0 AEAERN Oc1cccc(N2CCC[C@@H](F)C2)c1 258052517 573529744 /nfs/dbraw/zinc/52/97/44/573529744.db2.gz KCKXGTSNFWGGTE-SECBINFHSA-N 0 0 195.237 2.331 10 0 AEAERN Cc1sc(C=O)nc1CC(C)C 257827425 573529762 /nfs/dbraw/zinc/52/97/62/573529762.db2.gz HVFFOCDNXXPZJI-UHFFFAOYSA-N 0 0 183.276 2.463 10 0 AEAERN Cn1ccc2cc(F)c(N)c(F)c21 258058180 573529767 /nfs/dbraw/zinc/52/97/67/573529767.db2.gz SGCUFMNIFVXFSY-UHFFFAOYSA-N 0 0 182.173 2.039 10 0 AEAERN Cc1nc([C@H]2CCCO2)sc1C=O 258058436 573529787 /nfs/dbraw/zinc/52/97/87/573529787.db2.gz KNFQMUWMQDOYMQ-SSDOTTSWSA-N 0 0 197.259 2.116 10 0 AEAERN CCc1cc(CNO)ccc1C 258052298 573529821 /nfs/dbraw/zinc/52/98/21/573529821.db2.gz RLXIJXRFGLYQEE-UHFFFAOYSA-N 0 0 165.236 2.036 10 0 AEAERN CC(=O)Cc1cc2c(cc1F)CCC2 258059292 573529848 /nfs/dbraw/zinc/52/98/48/573529848.db2.gz LHEIJDYFBBZSAA-UHFFFAOYSA-N 0 0 192.233 2.446 10 0 AEAERN C[C@H](O)[C@](F)(Cl)C(F)(F)Cl 238429528 573529849 /nfs/dbraw/zinc/52/98/49/573529849.db2.gz MSMFIHVFUHZGHS-STHAYSLISA-N 0 0 196.983 2.103 10 0 AEAERN CCc1cc([C@H](C)CO)ccc1F 258059195 573529872 /nfs/dbraw/zinc/52/98/72/573529872.db2.gz LEWKGIPWLRMIMW-MRVPVSSYSA-N 0 0 182.238 2.484 10 0 AEAERN COC[C@H]1CCc2ccc(N)cc2C1 257828012 573529959 /nfs/dbraw/zinc/52/99/59/573529959.db2.gz ICMRMRWRXVYVRU-VIFPVBQESA-N 0 0 191.274 2.020 10 0 AEAERN C[C@@H](O)CCC(C)(C)Cl 238429561 573530000 /nfs/dbraw/zinc/53/00/00/573530000.db2.gz FQDWPQHARXYQJF-ZCFIWIBFSA-N 0 0 150.649 2.165 10 0 AEAERN CCOC(=O)C(C)(C)c1ccc(C)o1 257827603 573530004 /nfs/dbraw/zinc/53/00/04/573530004.db2.gz HZBSEBQJVSFQGO-UHFFFAOYSA-N 0 0 196.246 2.429 10 0 AEAERN CCCCC(=O)CSCC 83484587 573530010 /nfs/dbraw/zinc/53/00/10/573530010.db2.gz YBMOJJDSKJAPDX-UHFFFAOYSA-N 0 0 160.282 2.499 10 0 AEAERN CC(=O)c1cc([C@@H]2CCSC2)on1 258406372 573530016 /nfs/dbraw/zinc/53/00/16/573530016.db2.gz CRSXJTXSRJVBMI-SSDOTTSWSA-N 0 0 197.259 2.098 10 0 AEAERN CO[C@H](CCO)C1CCCCCC1 257827880 573530072 /nfs/dbraw/zinc/53/00/72/573530072.db2.gz HZOIWEVSZREKCQ-LLVKDONJSA-N 0 0 186.295 2.354 10 0 AEAERN CC(=O)c1noc2c1[C@@](C)(F)CCC2 257828072 573530076 /nfs/dbraw/zinc/53/00/76/573530076.db2.gz IFZKVFLOOBCHPZ-JTQLQIEISA-N 0 0 197.209 2.398 10 0 AEAERN NOCc1cc(F)c(F)c(Cl)c1 258059321 573530103 /nfs/dbraw/zinc/53/01/03/573530103.db2.gz LHTDJZXFBFIMHP-UHFFFAOYSA-N 0 0 193.580 2.009 10 0 AEAERN C[C@H](O)CCC1=C[C@@](C)(O)CCC1 238428992 573530126 /nfs/dbraw/zinc/53/01/26/573530126.db2.gz UHOVCSULPSZJGE-ONGXEEELSA-N 0 0 184.279 2.009 10 0 AEAERN C[C@@H]([C@@H](O)c1ccccc1)N(F)F 238429896 573530142 /nfs/dbraw/zinc/53/01/42/573530142.db2.gz WDILXSPUXAGZMY-IONNQARKSA-N 0 0 187.189 2.180 10 0 AEAERN CCc1cc(F)c(F)c(CNO)c1 258059360 573530150 /nfs/dbraw/zinc/53/01/50/573530150.db2.gz LIXYBFQOEJULGH-UHFFFAOYSA-N 0 0 187.189 2.006 10 0 AEAERN CCC[C@@H](O)[C@@H](C)C(=S)SC 238256840 573530183 /nfs/dbraw/zinc/53/01/83/573530183.db2.gz KNNXFHYUVDORCJ-RNFRBKRXSA-N 0 0 192.349 2.474 10 0 AEAERN Cc1ncc(N)c2sccc12 211885142 573530294 /nfs/dbraw/zinc/53/02/94/573530294.db2.gz QGLVYVMGQLGUGB-UHFFFAOYSA-N 0 0 164.233 2.187 10 0 AEAERN Cc1ccc(C2(CO)CC(F)C2)cc1 257827564 573530224 /nfs/dbraw/zinc/53/02/24/573530224.db2.gz HXIAJSPAPLAVNF-UHFFFAOYSA-N 0 0 194.249 2.357 10 0 AEAERN Nc1ncc(CC2CCCCC2)o1 258501989 573530253 /nfs/dbraw/zinc/53/02/53/573530253.db2.gz DNEGEVCDDLVDKK-UHFFFAOYSA-N 0 0 180.251 2.380 10 0 AEAERN CC(C)Cc1c(C=O)cnn1C(C)C 257827586 573530748 /nfs/dbraw/zinc/53/07/48/573530748.db2.gz HYDGAZKHPFBDDG-UHFFFAOYSA-N 0 0 194.278 2.475 10 0 AEAERN CC(=O)[C@@H](C)[C@@H](O)c1ccc(C)cc1 238429650 573530814 /nfs/dbraw/zinc/53/08/14/573530814.db2.gz PQCIGNNQOYZCQG-BXKDBHETSA-N 0 0 192.258 2.254 10 0 AEAERN CCc1cc(CO)c(C)cc1F 258058142 573530815 /nfs/dbraw/zinc/53/08/15/573530815.db2.gz SEZOBGYAAXXHGV-UHFFFAOYSA-N 0 0 168.211 2.189 10 0 AEAERN C=C=C[C@H](O)[C@H](C)c1ccccc1 238429096 573530831 /nfs/dbraw/zinc/53/08/31/573530831.db2.gz LGNJUDLJACDESL-PWSUYJOCSA-N 0 0 174.243 2.492 10 0 AEAERN COc1c(C)ccc(C)c1[C@H](C)O 258058338 573530873 /nfs/dbraw/zinc/53/08/73/573530873.db2.gz SIPIOWBGQGVTNN-VIFPVBQESA-N 0 0 180.247 2.365 10 0 AEAERN COC[C@@H]1CCCc2ccc(N)cc21 257827601 573530921 /nfs/dbraw/zinc/53/09/21/573530921.db2.gz HYYPGQVIZONGHL-JTQLQIEISA-N 0 0 191.274 2.335 10 0 AEAERN C[C@@H]1CC=C[C@@H](C)[C@@H](C)C1=O 238430370 573531185 /nfs/dbraw/zinc/53/11/85/573531185.db2.gz VRVDEPOUVNXRKK-IWSPIJDZSA-N 0 0 152.237 2.424 10 0 AEAERN C[C@H]1CCCC[C@@H]1n1cc(C=O)cn1 238429205 573531334 /nfs/dbraw/zinc/53/13/34/573531334.db2.gz DRSUOBDKUKZSQE-ONGXEEELSA-N 0 0 192.262 2.447 10 0 AEAERN C[C@H](O)[C@@]1(C)CC=CCC1 238430002 573531243 /nfs/dbraw/zinc/53/12/43/573531243.db2.gz JDONZNQQNRMQCE-IUCAKERBSA-N 0 0 140.226 2.114 10 0 AEAERN NOCCc1ccc(C2CC2)c(F)c1 258059347 573531284 /nfs/dbraw/zinc/53/12/84/573531284.db2.gz LISANVVCSVDUCF-UHFFFAOYSA-N 0 0 195.237 2.136 10 0 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83488745 573535265 /nfs/dbraw/zinc/53/52/65/573535265.db2.gz OHMWFKIDVMGENN-QMMMGPOBSA-N 0 0 162.298 2.289 10 0 AEAERN Cc1cccn2nc(CC(C)C)nc12 258055410 573533169 /nfs/dbraw/zinc/53/31/69/573533169.db2.gz UENBWPCICDPNKM-UHFFFAOYSA-N 0 0 189.262 2.236 10 0 AEAERN CCC[C@H](O)c1ccc(F)cc1N 257828175 573533196 /nfs/dbraw/zinc/53/31/96/573533196.db2.gz IGDRDVNZPPZZHT-JTQLQIEISA-N 0 0 183.226 2.241 10 0 AEAERN CCc1cc(C)c(O)c(C(C)=O)c1 107337242 573533231 /nfs/dbraw/zinc/53/32/31/573533231.db2.gz NVYXPBZWPDMNLK-UHFFFAOYSA-N 0 0 178.231 2.466 10 0 AEAERN C[C@H](O)CCC1=C[C@](C)(O)CCC1 238429007 573533242 /nfs/dbraw/zinc/53/32/42/573533242.db2.gz UHOVCSULPSZJGE-GXSJLCMTSA-N 0 0 184.279 2.009 10 0 AEAERN CNc1nc(Cc2ccco2)c(C)o1 258501886 573533309 /nfs/dbraw/zinc/53/33/09/573533309.db2.gz DLDOVHOXCMVPCD-UHFFFAOYSA-N 0 0 192.218 2.209 10 0 AEAERN CC(C)(C)CCC1(O)CCOCC1 83504132 573533310 /nfs/dbraw/zinc/53/33/10/573533310.db2.gz XVNAWYMBSFGKQM-UHFFFAOYSA-N 0 0 186.295 2.354 10 0 AEAERN 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197.307 2.091 10 0 AEAERN CNCC(F)(F)c1ccc(C)s1 257828821 573534145 /nfs/dbraw/zinc/53/41/45/573534145.db2.gz IOHOSUBGYPQHKE-UHFFFAOYSA-N 0 0 191.246 2.368 10 0 AEAERN C[C@@H](O)c1ccc(C(C)(C)CO)cc1 258056022 573534182 /nfs/dbraw/zinc/53/41/82/573534182.db2.gz KXONNTPUDHSMCJ-SECBINFHSA-N 0 0 194.274 2.010 10 0 AEAERN COc1ccc(C)c(C)c1C[C@@H](C)O 258053645 573534193 /nfs/dbraw/zinc/53/41/93/573534193.db2.gz KTTHIGYHSZPVIF-SECBINFHSA-N 0 0 194.274 2.235 10 0 AEAERN OC1(CC2CCOCC2)CCCCC1 83502456 573534195 /nfs/dbraw/zinc/53/41/95/573534195.db2.gz DXCVCXWIHCYRMQ-UHFFFAOYSA-N 0 0 198.306 2.498 10 0 AEAERN COCCCc1cccc2c1CCN2 258055015 573534206 /nfs/dbraw/zinc/53/42/06/573534206.db2.gz INPCKRFTTPIQLO-UHFFFAOYSA-N 0 0 191.274 2.234 10 0 AEAERN Cc1cc(CNO)cc(Cl)c1F 258053759 573534233 /nfs/dbraw/zinc/53/42/33/573534233.db2.gz KWKZIECMZWKQCP-UHFFFAOYSA-N 0 0 189.617 2.266 10 0 AEAERN Cc1c(F)c[nH]c2cc(=O)ccc1-2 257828657 573534258 /nfs/dbraw/zinc/53/42/58/573534258.db2.gz INSHMDPKBSXDFU-UHFFFAOYSA-N 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195.287 2.286 10 0 AEAERN CC(=O)Cc1nc(C)c(CC(C)C)[nH]1 258758886 573534703 /nfs/dbraw/zinc/53/47/03/573534703.db2.gz SDHCIMOXVVKQPV-UHFFFAOYSA-N 0 0 194.278 2.048 10 0 AEAERN C[C@H]1CCCn2c(C3CC3)nnc21 258052757 573534726 /nfs/dbraw/zinc/53/47/26/573534726.db2.gz AKSJEEHXEULADY-ZETCQYMHSA-N 0 0 177.251 2.053 10 0 AEAERN CCCn1ncc(C=O)c1C(C)C 107340671 573534797 /nfs/dbraw/zinc/53/47/97/573534797.db2.gz NLAABVGVRSALNF-UHFFFAOYSA-N 0 0 180.251 2.229 10 0 AEAERN CC(=O)N[C@@H](C)C1=CCCCC1 238431097 573534798 /nfs/dbraw/zinc/53/47/98/573534798.db2.gz METAVTQOSFNZTN-QMMMGPOBSA-N 0 0 167.252 2.011 10 0 AEAERN CC(C)C(=O)c1ccc(F)cc1N 257828172 573534802 /nfs/dbraw/zinc/53/48/02/573534802.db2.gz IGAYFTRHUVIBNI-UHFFFAOYSA-N 0 0 181.210 2.247 10 0 AEAERN FCCOc1ccc2c(c1)NCC2 258054149 573534877 /nfs/dbraw/zinc/53/48/77/573534877.db2.gz PHQDMSVSZYZQMB-UHFFFAOYSA-N 0 0 181.210 2.003 10 0 AEAERN CCc1cc(CC(C)=O)c(C)cc1O 258053629 573534900 /nfs/dbraw/zinc/53/49/00/573534900.db2.gz KTHYMFVQCGGIBG-UHFFFAOYSA-N 0 0 192.258 2.395 10 0 AEAERN CCc1cc(C(C)=O)nn1C(C)(C)C 257828077 573534907 /nfs/dbraw/zinc/53/49/07/573534907.db2.gz IGFKBTXBCZBFCE-UHFFFAOYSA-N 0 0 194.278 2.403 10 0 AEAERN CC(C)(C)SCc1nccc(N)n1 83491011 573534909 /nfs/dbraw/zinc/53/49/09/573534909.db2.gz XESTVOUFCNCEAA-UHFFFAOYSA-N 0 0 197.307 2.091 10 0 AEAERN CC[C@](C)(O)Cc1ccsc1 83503279 573534990 /nfs/dbraw/zinc/53/49/90/573534990.db2.gz YGASEBYQBKSESM-VIFPVBQESA-N 0 0 170.277 2.452 10 0 AEAERN CCOCc1ccc(N)c(Cl)c1 258052749 573535052 /nfs/dbraw/zinc/53/50/52/573535052.db2.gz FSBDEBBVUFENHD-UHFFFAOYSA-N 0 0 185.654 2.459 10 0 AEAERN C[C@H]([NH3+])c1cccc(Cl)c1C(=O)[O-] 238431003 573535072 /nfs/dbraw/zinc/53/50/72/573535072.db2.gz QOVPNRNZEMNWEU-YFKPBYRVSA-N 0 0 199.637 2.058 10 0 AEAERN Cc1nccc(-c2ccc(C)o2)n1 259492631 573535082 /nfs/dbraw/zinc/53/50/82/573535082.db2.gz LFKJVQAIFUVOIQ-UHFFFAOYSA-N 0 0 174.203 2.353 10 0 AEAERN Fc1cccc(C2(Cl)COC2)c1 258755901 573535088 /nfs/dbraw/zinc/53/50/88/573535088.db2.gz RPBHUTTXLQYPQC-UHFFFAOYSA-N 0 0 186.613 2.290 10 0 AEAERN CC(=O)c1cccc(OC(C)C)n1 107338420 573535092 /nfs/dbraw/zinc/53/50/92/573535092.db2.gz VHIAXTMWTVSTEO-UHFFFAOYSA-N 0 0 179.219 2.071 10 0 AEAERN COc1c(Cl)cccc1C1(O)CC1 258055576 573535141 /nfs/dbraw/zinc/53/51/41/573535141.db2.gz HCYACJRKMJYYBA-UHFFFAOYSA-N 0 0 198.649 2.330 10 0 AEAERN CC(C)c1nc(CO)oc1C(C)C 257828137 573535162 /nfs/dbraw/zinc/53/51/62/573535162.db2.gz IEHQDNUVIFBULF-UHFFFAOYSA-N 0 0 183.251 2.414 10 0 AEAERN CC(C)c1nc(N)oc1C(F)(F)F 257828913 573535183 /nfs/dbraw/zinc/53/51/83/573535183.db2.gz IMGNKSPZZWKKNA-UHFFFAOYSA-N 0 0 194.156 2.399 10 0 AEAERN COCc1ccc(F)cc1C(C)=O 107344030 573535192 /nfs/dbraw/zinc/53/51/92/573535192.db2.gz XSRAIVNCMHBCHL-UHFFFAOYSA-N 0 0 182.194 2.175 10 0 AEAERN C[C@@H](O)[C@@H]1CCOCc2ccccc21 238434122 573535801 /nfs/dbraw/zinc/53/58/01/573535801.db2.gz DLABZNXPKAKREH-KOLCDFICSA-N 0 0 192.258 2.071 10 0 AEAERN C[C@@](O)(Cc1ccsc1)C1CC1 83503430 573535817 /nfs/dbraw/zinc/53/58/17/573535817.db2.gz VEVBCCINVXRKKA-SNVBAGLBSA-N 0 0 182.288 2.452 10 0 AEAERN CCCC[C@@](C)(O)C1CC1 83503399 573535862 /nfs/dbraw/zinc/53/58/62/573535862.db2.gz JXJMHAQNDYIDJA-SECBINFHSA-N 0 0 142.242 2.338 10 0 AEAERN CNc1ccnc(CSC(C)C)n1 83489702 573535911 /nfs/dbraw/zinc/53/59/11/573535911.db2.gz TUFWVQCPYBJGBI-UHFFFAOYSA-N 0 0 197.307 2.160 10 0 AEAERN COCc1cc([C@H](C)CO)ccc1F 258052772 573535952 /nfs/dbraw/zinc/53/59/52/573535952.db2.gz GXXYEZOOQFVTNF-MRVPVSSYSA-N 0 0 198.237 2.068 10 0 AEAERN Cc1ccc2c(c1)OCC(=O)[C@@H]2C 238434101 573536000 /nfs/dbraw/zinc/53/60/00/573536000.db2.gz BNYCETTWJZYHQQ-MRVPVSSYSA-N 0 0 176.215 2.060 10 0 AEAERN C[C@@H]1C[C@@H](O)C[C@@](C)(C(C)(C)C)O1 238430740 573536117 /nfs/dbraw/zinc/53/61/17/573536117.db2.gz ZLGWJVTYGFXGEL-KKZNHRDASA-N 0 0 186.295 2.351 10 0 AEAERN CCOC(=N)CSC(C)C 83489613 573536028 /nfs/dbraw/zinc/53/60/28/573536028.db2.gz GMUHQUWWJIVECY-UHFFFAOYSA-N 0 0 161.270 2.142 10 0 AEAERN O=Cc1cc(Cl)c2nc[nH]c2c1 107341534 573536058 /nfs/dbraw/zinc/53/60/58/573536058.db2.gz LMNJIQDDWSCGHD-UHFFFAOYSA-N 0 0 180.594 2.029 10 0 AEAERN C=C/C=C/[C@H](CO)[C@H](O)/C=C\CCC 308616299 573538865 /nfs/dbraw/zinc/53/88/65/573538865.db2.gz ALYVFNPZIRNHNM-KPLJFDQGSA-N 0 0 196.290 2.054 10 0 AEAERN Fc1cccc(-c2ccon2)c1 78589817 573539801 /nfs/dbraw/zinc/53/98/01/573539801.db2.gz CQTKCUDXZKGASB-UHFFFAOYSA-N 0 0 163.151 2.481 10 0 AEAERN C/C=C/C=C/C(=O)OCC(F)(F)F 220685305 573539809 /nfs/dbraw/zinc/53/98/09/573539809.db2.gz UQSZZSNSHQMFHD-MQQKCMAXSA-N 0 0 194.152 2.224 10 0 AEAERN CSc1coc([C@@H](C)O)c1 238434510 573539810 /nfs/dbraw/zinc/53/98/10/573539810.db2.gz FYCPSPJJVYJSJR-RXMQYKEDSA-N 0 0 158.222 2.055 10 0 AEAERN C[C@H]1C(=O)C[C@@H]1Cc1ccccc1 238434850 573539944 /nfs/dbraw/zinc/53/99/44/573539944.db2.gz MFCREBNBPVCQQL-KOLCDFICSA-N 0 0 174.243 2.454 10 0 AEAERN C[C@H]1C[C@@](O)(CC2CCCC2)CCO1 83506145 573538341 /nfs/dbraw/zinc/53/83/41/573538341.db2.gz GIXXGNHCQPUAIE-CMPLNLGQSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@@H]1C[C@@](O)(CC2CCCC2)CCO1 83506144 573538344 /nfs/dbraw/zinc/53/83/44/573538344.db2.gz GIXXGNHCQPUAIE-ZYHUDNBSSA-N 0 0 198.306 2.497 10 0 AEAERN OCCCc1cc2c(cc1F)CCC2 258056157 573538348 /nfs/dbraw/zinc/53/83/48/573538348.db2.gz KZXBEDUMLCGVBT-UHFFFAOYSA-N 0 0 194.249 2.239 10 0 AEAERN O[C@@H](CC1CCCC1)C1CCOCC1 83505490 573538353 /nfs/dbraw/zinc/53/83/53/573538353.db2.gz CHLSACFMLLFGCC-LBPRGKRZSA-N 0 0 198.306 2.354 10 0 AEAERN NOCc1cccc(C(F)F)c1 258056448 573538425 /nfs/dbraw/zinc/53/84/25/573538425.db2.gz SBQHWKATNZPAIZ-UHFFFAOYSA-N 0 0 173.162 2.015 10 0 AEAERN Cc1cc(CON)ccc1OC(C)C 258056381 573538497 /nfs/dbraw/zinc/53/84/97/573538497.db2.gz LCBPFYBMUQZYHH-UHFFFAOYSA-N 0 0 195.262 2.173 10 0 AEAERN CC(C)c1n[nH]c2cccc(O)c12 257829366 573538508 /nfs/dbraw/zinc/53/85/08/573538508.db2.gz IUDCPEVBMIESJT-UHFFFAOYSA-N 0 0 176.219 2.392 10 0 AEAERN C=C=CCC[C@@H](O)C[C@@H](O)C(C)(C)C 308617223 573538521 /nfs/dbraw/zinc/53/85/21/573538521.db2.gz BADDDRZPUQYKBX-GHMZBOCLSA-N 0 0 198.306 2.266 10 0 AEAERN CC[C@H](CO)CNc1cccc(F)c1 258761858 573538525 /nfs/dbraw/zinc/53/85/25/573538525.db2.gz XZQPMVJMOPEDQW-VIFPVBQESA-N 0 0 197.253 2.256 10 0 AEAERN Cc1ccc(C2(O)CC2)c2c1CCC2 258056277 573538633 /nfs/dbraw/zinc/53/86/33/573538633.db2.gz LBEJFRNKZHTNTE-UHFFFAOYSA-N 0 0 188.270 2.465 10 0 AEAERN C[C@@H]1CC=C[C@H]2CC(=O)C[C@@H]21 238431175 573538635 /nfs/dbraw/zinc/53/86/35/573538635.db2.gz CSGVKAZXRFVSFJ-KHQFGBGNSA-N 0 0 150.221 2.178 10 0 AEAERN CCn1nc(N)c2c1CCC[C@@]2(C)F 257824312 573538660 /nfs/dbraw/zinc/53/86/60/573538660.db2.gz GSGQOKFNLDEDEP-SNVBAGLBSA-N 0 0 197.257 2.006 10 0 AEAERN CC[C@@H](CO)CNc1cccc(F)c1 258761855 573538696 /nfs/dbraw/zinc/53/86/96/573538696.db2.gz XZQPMVJMOPEDQW-SECBINFHSA-N 0 0 197.253 2.256 10 0 AEAERN CC(=O)[C@H]1CC[C@H](C)C[C@@H]1C(C)=O 238434369 573539992 /nfs/dbraw/zinc/53/99/92/573539992.db2.gz GMXFMIARNFLPNE-WHGOUJPWSA-N 0 0 182.263 2.217 10 0 AEAERN C[C@H](CO)CC[C@H]1C=CCC1 238431248 573538808 /nfs/dbraw/zinc/53/88/08/573538808.db2.gz GCNUQPKAOLADEG-UWVGGRQHSA-N 0 0 154.253 2.361 10 0 AEAERN CC(C)C(=O)c1cccc2c1OCC2 107351212 573538886 /nfs/dbraw/zinc/53/88/86/573538886.db2.gz LQNJKEHQALSCBG-UHFFFAOYSA-N 0 0 190.242 2.460 10 0 AEAERN CCCC(=O)c1cc(C)nn1CC 158280476 573538923 /nfs/dbraw/zinc/53/89/23/573538923.db2.gz QBSAXMZJESOPJX-UHFFFAOYSA-N 0 0 180.251 2.194 10 0 AEAERN CC(=O)N1[C@@H](C)C[C@H](C)CC1(C)C 238434291 573538939 /nfs/dbraw/zinc/53/89/39/573538939.db2.gz OZZVGOWTLVHLBW-IUCAKERBSA-N 0 0 183.295 2.432 10 0 AEAERN C[C@H]1CCCC[C@@]12CCCNC2=O 238430587 573538957 /nfs/dbraw/zinc/53/89/57/573538957.db2.gz HKWPCHQOZACDDO-GXSJLCMTSA-N 0 0 181.279 2.093 10 0 AEAERN OCCc1cc(Cl)c2c(c1)CCC2 258056387 573538979 /nfs/dbraw/zinc/53/89/79/573538979.db2.gz LCFXUKKZWVLEAR-UHFFFAOYSA-N 0 0 196.677 2.364 10 0 AEAERN Cc1cccc(C(F)(F)[C@H]2CCN2)c1 257824304 573538988 /nfs/dbraw/zinc/53/89/88/573538988.db2.gz GRXGFIZQUWPCLA-SNVBAGLBSA-N 0 0 197.228 2.449 10 0 AEAERN COc1ccc([C@H]2CC[C@@H]2CO)cc1 257829249 573539091 /nfs/dbraw/zinc/53/90/91/573539091.db2.gz IRDXBXDINOZDAN-ZYHUDNBSSA-N 0 0 192.258 2.181 10 0 AEAERN COC[C@H]1CCc2cc(O)ccc21 257829362 573539098 /nfs/dbraw/zinc/53/90/98/573539098.db2.gz IUAZVDZFLOKUJH-SECBINFHSA-N 0 0 178.231 2.068 10 0 AEAERN O=Cc1cc(Cl)c(F)c(F)c1[O-] 107355928 573539196 /nfs/dbraw/zinc/53/91/96/573539196.db2.gz NMRQBERHOCGLTH-UHFFFAOYSA-N 0 0 192.548 2.136 10 0 AEAERN CNc1ccn(-c2ccc(F)cc2)n1 107352701 573539336 /nfs/dbraw/zinc/53/93/36/573539336.db2.gz HEZSQBPCCUOMLE-UHFFFAOYSA-N 0 0 191.209 2.053 10 0 AEAERN CSCC[C@H](C(C)C)[C@@H](C)O 130303657 573539355 /nfs/dbraw/zinc/53/93/55/573539355.db2.gz UVRGDWNWQBUBIS-RKDXNWHRSA-N 0 0 176.325 2.393 10 0 AEAERN O=C1CC[C@H](CC[C@H]2CCCO2)C1 83531555 573539369 /nfs/dbraw/zinc/53/93/69/573539369.db2.gz ZGMIUSFZASZQMU-MWLCHTKSSA-N 0 0 182.263 2.315 10 0 AEAERN O[C@@H]1CCCC[C@@H]1CC[C@@H]1CCCO1 83530282 573539371 /nfs/dbraw/zinc/53/93/71/573539371.db2.gz SBQCABVEGGURJN-GRYCIOLGSA-N 0 0 198.306 2.497 10 0 AEAERN Cc1cccc(S[C@H](C)CO)c1 238435305 573539474 /nfs/dbraw/zinc/53/94/74/573539474.db2.gz LVOFGKJFEVGPPA-SECBINFHSA-N 0 0 182.288 2.468 10 0 AEAERN O[C@@H]1CCCC[C@H]1CC[C@@H]1CCCO1 83530280 573539494 /nfs/dbraw/zinc/53/94/94/573539494.db2.gz SBQCABVEGGURJN-SDDRHHMPSA-N 0 0 198.306 2.497 10 0 AEAERN COc1c(C(C)=O)ccc(F)c1F 107347732 573539551 /nfs/dbraw/zinc/53/95/51/573539551.db2.gz VNWQEAYFTDSJQF-UHFFFAOYSA-N 0 0 186.157 2.176 10 0 AEAERN Cc1nc2cccc(Cl)n2c1C=O 258056834 573539594 /nfs/dbraw/zinc/53/95/94/573539594.db2.gz KIILTIAACTZVPJ-UHFFFAOYSA-N 0 0 194.621 2.109 10 0 AEAERN O=Cc1nc(C=Cc2ccccc2)c[nH]1 308617711 573539627 /nfs/dbraw/zinc/53/96/27/573539627.db2.gz KUPXCOFRPRHIBC-VOTSOKGWSA-N 0 0 198.225 2.393 10 0 AEAERN C[C@H]1C(=O)c2ccc(O)cc2[C@@H]1C 238434379 573539652 /nfs/dbraw/zinc/53/96/52/573539652.db2.gz ZOPGZJLSZBDCCG-RNFRBKRXSA-N 0 0 176.215 2.328 10 0 AEAERN Cc1nc(C[C@H]2C[C@H]3CC[C@@H]2C3)n[nH]1 36960865 573539698 /nfs/dbraw/zinc/53/96/98/573539698.db2.gz LLIPJRZFBRYSQW-IVZWLZJFSA-N 0 0 191.278 2.092 10 0 AEAERN S=c1ccocc1 6119197 573539766 /nfs/dbraw/zinc/53/97/66/573539766.db2.gz WWANKXYUVUCOMI-UHFFFAOYSA-N 0 0 112.153 2.009 10 0 AEAERN CCSc1nc(C)c(C=O)s1 107348585 573539792 /nfs/dbraw/zinc/53/97/92/573539792.db2.gz LHUCTEOZCSEAII-UHFFFAOYSA-N 0 0 187.289 2.376 10 0 AEAERN CNc1cnn(-c2ccc(F)cc2)c1 107352728 573539857 /nfs/dbraw/zinc/53/98/57/573539857.db2.gz HQYMVJUOMIFKAF-UHFFFAOYSA-N 0 0 191.209 2.053 10 0 AEAERN C[C@H](O)C(F)(F)C[C@H]1CCCS1 257829266 573539863 /nfs/dbraw/zinc/53/98/63/573539863.db2.gz IRTTUKOHYYRDMZ-NKWVEPMBSA-N 0 0 196.262 2.288 10 0 AEAERN COc1ccc([C@@H]2CC[C@@H]2CO)cc1 257829248 573540031 /nfs/dbraw/zinc/54/00/31/573540031.db2.gz IRDXBXDINOZDAN-PWSUYJOCSA-N 0 0 192.258 2.181 10 0 AEAERN CC(=O)c1c(C)ccc2c1CCO2 258056601 573540069 /nfs/dbraw/zinc/54/00/69/573540069.db2.gz SCWRGAXQEPWTCX-UHFFFAOYSA-N 0 0 176.215 2.133 10 0 AEAERN CC(=O)[C@@H](C)[C@H](O)c1cccc(C)c1 238435276 573540144 /nfs/dbraw/zinc/54/01/44/573540144.db2.gz SYARXWDRNZACJB-SKDRFNHKSA-N 0 0 192.258 2.254 10 0 AEAERN O=Cc1cc(F)c(F)c(Cl)c1[O-] 107355926 573540155 /nfs/dbraw/zinc/54/01/55/573540155.db2.gz CDTASYJEADBJJF-UHFFFAOYSA-N 0 0 192.548 2.136 10 0 AEAERN C[C@H](CO)c1ccc(CCF)cc1 258056463 573540193 /nfs/dbraw/zinc/54/01/93/573540193.db2.gz LCXMSOBTPDOHBT-SECBINFHSA-N 0 0 182.238 2.294 10 0 AEAERN CCn1nc(N)c2c1CCC[C@]2(C)F 257824311 573540203 /nfs/dbraw/zinc/54/02/03/573540203.db2.gz GSGQOKFNLDEDEP-JTQLQIEISA-N 0 0 197.257 2.006 10 0 AEAERN CC(C)(C)n1ncc(N)c1C1CCC1 257829259 573540233 /nfs/dbraw/zinc/54/02/33/573540233.db2.gz IRJYOLIQLPSMSQ-UHFFFAOYSA-N 0 0 193.294 2.488 10 0 AEAERN CNc1nnc(-c2ccccc2C)o1 107349811 573540237 /nfs/dbraw/zinc/54/02/37/573540237.db2.gz TWUJJXRMDFXJON-UHFFFAOYSA-N 0 0 189.218 2.087 10 0 AEAERN CSc1coc([C@H](C)O)c1 238434520 573540246 /nfs/dbraw/zinc/54/02/46/573540246.db2.gz FYCPSPJJVYJSJR-YFKPBYRVSA-N 0 0 158.222 2.055 10 0 AEAERN C[C@H](O)C(F)(F)C[C@@H]1CCCS1 257829265 573540272 /nfs/dbraw/zinc/54/02/72/573540272.db2.gz IRTTUKOHYYRDMZ-BQBZGAKWSA-N 0 0 196.262 2.288 10 0 AEAERN CC(=O)[C@@H](C)[C@H](O)c1cccc(F)c1 238435290 573540275 /nfs/dbraw/zinc/54/02/75/573540275.db2.gz GKHCPKSURSIVKL-HQJQHLMTSA-N 0 0 196.221 2.084 10 0 AEAERN C/C=C/[C@@H](O)C[C@@H](O)c1ccccc1 308618062 573540314 /nfs/dbraw/zinc/54/03/14/573540314.db2.gz BSLIHLNOWCSURD-JVOCUKHTSA-N 0 0 192.258 2.047 10 0 AEAERN C[C@H]1C(=O)Cc2c1[nH]c1ccccc21 238434695 573540364 /nfs/dbraw/zinc/54/03/64/573540364.db2.gz CTJBXXGYZVHQRD-ZETCQYMHSA-N 0 0 185.226 2.397 10 0 AEAERN Cc1[nH]cnc1-c1ccc(O)cc1 257829077 573540374 /nfs/dbraw/zinc/54/03/74/573540374.db2.gz ISQPAWHNPIZHGC-UHFFFAOYSA-N 0 0 174.203 2.091 10 0 AEAERN C[C@@H]1CC[C@@H](C(C)(C)O)/C(=C/CO)C1 238435269 573540408 /nfs/dbraw/zinc/54/04/08/573540408.db2.gz RJDBUWMNIVNJEX-JMQBSKDBSA-N 0 0 198.306 2.112 10 0 AEAERN COc1cc(Cl)c(F)cc1C=O 107349346 573540412 /nfs/dbraw/zinc/54/04/12/573540412.db2.gz ICTDZIAUSZEFLU-UHFFFAOYSA-N 0 0 188.585 2.300 10 0 AEAERN C[C@@H]([C@H](O)c1ccccc1)N(F)F 238435449 573540422 /nfs/dbraw/zinc/54/04/22/573540422.db2.gz WDILXSPUXAGZMY-CBAPKCEASA-N 0 0 187.189 2.180 10 0 AEAERN C/C=C\[C@@H](O)C[C@@H](O)c1ccccc1 308618060 573540433 /nfs/dbraw/zinc/54/04/33/573540433.db2.gz BSLIHLNOWCSURD-GBHJXGPPSA-N 0 0 192.258 2.047 10 0 AEAERN C[C@H]1C[C@H]1N1CCNc2ccccc21 107349270 573540443 /nfs/dbraw/zinc/54/04/43/573540443.db2.gz AWQCMXAVYRPELT-JOYOIKCWSA-N 0 0 188.274 2.327 10 0 AEAERN C[C@H]1CCN(C)c2ccccc2[C@@H]1O 238434756 573540483 /nfs/dbraw/zinc/54/04/83/573540483.db2.gz UEUKHQQVTUWBQD-JOYOIKCWSA-N 0 0 191.274 2.196 10 0 AEAERN C[C@H](O)CC[C@@H]1C[C@@H](C)OC1(C)C 238434920 573540545 /nfs/dbraw/zinc/54/05/45/573540545.db2.gz XQOZRYHMWBYBHB-IVZWLZJFSA-N 0 0 186.295 2.351 10 0 AEAERN O=C1CC[C@@H](CC[C@@H]2CCCO2)C1 83531554 573540578 /nfs/dbraw/zinc/54/05/78/573540578.db2.gz ZGMIUSFZASZQMU-ONGXEEELSA-N 0 0 182.263 2.315 10 0 AEAERN Cc1cc(C)c(C2(O)CC2)c(O)c1C 259500125 573540618 /nfs/dbraw/zinc/54/06/18/573540618.db2.gz QWKNMZIJODIWOG-UHFFFAOYSA-N 0 0 192.258 2.299 10 0 AEAERN OC[C@H](F)c1ccc(F)cc1Cl 257829343 573540680 /nfs/dbraw/zinc/54/06/80/573540680.db2.gz IXGJRXVWUVUQJV-QMMMGPOBSA-N 0 0 192.592 2.482 10 0 AEAERN CNc1ccn(-c2cccc(F)c2)n1 107352704 573540713 /nfs/dbraw/zinc/54/07/13/573540713.db2.gz BMQCAINZOHMTFF-UHFFFAOYSA-N 0 0 191.209 2.053 10 0 AEAERN CSCC[C@H](C(C)C)[C@H](C)O 130304060 573540716 /nfs/dbraw/zinc/54/07/16/573540716.db2.gz UVRGDWNWQBUBIS-DTWKUNHWSA-N 0 0 176.325 2.393 10 0 AEAERN C=C/C=C\[C@H](CO)[C@H](O)/C=C\CCC 308616306 573540744 /nfs/dbraw/zinc/54/07/44/573540744.db2.gz ALYVFNPZIRNHNM-RUIHLABESA-N 0 0 196.290 2.054 10 0 AEAERN COC[C@@H]1CCc2cc(O)ccc21 257829365 573540808 /nfs/dbraw/zinc/54/08/08/573540808.db2.gz IUAZVDZFLOKUJH-VIFPVBQESA-N 0 0 178.231 2.068 10 0 AEAERN C[C@@H]1CCOc2ccccc2[C@H]1O 238434811 573540818 /nfs/dbraw/zinc/54/08/18/573540818.db2.gz SBJSFFAQHSLRRQ-KCJUWKMLSA-N 0 0 178.231 2.139 10 0 AEAERN O=C1CCC[C@H]1CC[C@@H]1CCCO1 83527634 573540897 /nfs/dbraw/zinc/54/08/97/573540897.db2.gz AUEKZFOXEKPEQX-UWVGGRQHSA-N 0 0 182.263 2.315 10 0 AEAERN CC/C=C\C(=O)N/C=C\CCC 220692611 573540902 /nfs/dbraw/zinc/54/09/02/573540902.db2.gz LKSQRSDHFQRWNJ-VRHVFUOLSA-N 0 0 167.252 2.383 10 0 AEAERN CNc1ccn(-c2ccccc2C)n1 107348414 573540965 /nfs/dbraw/zinc/54/09/65/573540965.db2.gz CCRMOISXRFGGIO-UHFFFAOYSA-N 0 0 187.246 2.222 10 0 AEAERN CNc1ccnn1-c1ccc(F)cc1 107352718 573540974 /nfs/dbraw/zinc/54/09/74/573540974.db2.gz NEBPNTAXZQAJFZ-UHFFFAOYSA-N 0 0 191.209 2.053 10 0 AEAERN C=C/C=C/[C@H](CO)[C@H](O)/C=C/CCC 308616290 573541014 /nfs/dbraw/zinc/54/10/14/573541014.db2.gz ALYVFNPZIRNHNM-GKXXLIKISA-N 0 0 196.290 2.054 10 0 AEAERN C[C@@H]1CC[C@@H](C(C)(C)N=O)C1=O 238435207 573541015 /nfs/dbraw/zinc/54/10/15/573541015.db2.gz ISKARCSFZKAWJX-RNFRBKRXSA-N 0 0 169.224 2.147 10 0 AEAERN C[C@@H]1CC[C@@H](C(C)(C)CO)C1 238435113 573541058 /nfs/dbraw/zinc/54/10/58/573541058.db2.gz MQBUWKPXMQZLET-RKDXNWHRSA-N 0 0 156.269 2.441 10 0 AEAERN CCc1cccc([C@@H](F)CO)c1 257824271 573541068 /nfs/dbraw/zinc/54/10/68/573541068.db2.gz GEBCSARCGOROOW-JTQLQIEISA-N 0 0 168.211 2.252 10 0 AEAERN COc1ccc2c(C)c(O)cnc2c1 257829673 573541090 /nfs/dbraw/zinc/54/10/90/573541090.db2.gz ISVWQJSANXMUPS-UHFFFAOYSA-N 0 0 189.214 2.257 10 0 AEAERN C[C@@H]1[C@@H](O)c2ccccc2C12CC2 238435432 573541103 /nfs/dbraw/zinc/54/11/03/573541103.db2.gz CQWGGEJANZWDAJ-LDYMZIIASA-N 0 0 174.243 2.401 10 0 AEAERN CCOC(=O)N(C)Cc1occc1C 308615833 573541153 /nfs/dbraw/zinc/54/11/53/573541153.db2.gz QHWWOTKMHZRKTC-UHFFFAOYSA-N 0 0 197.234 2.176 10 0 AEAERN C[C@@H](O)[C@@H]1C/C1=C\c1ccccc1 238435293 573541158 /nfs/dbraw/zinc/54/11/58/573541158.db2.gz BCNLRSZJWJLLOB-BWPPYHDQSA-N 0 0 174.243 2.471 10 0 AEAERN CCC(=O)Cc1nc(C)c(C)s1 83533292 573541164 /nfs/dbraw/zinc/54/11/64/573541164.db2.gz VPNIAYXZVRZEMQ-UHFFFAOYSA-N 0 0 183.276 2.282 10 0 AEAERN CNc1ccn(-c2ccccc2F)n1 107352706 573541172 /nfs/dbraw/zinc/54/11/72/573541172.db2.gz HDTKLMGNKLKZIJ-UHFFFAOYSA-N 0 0 191.209 2.053 10 0 AEAERN C[C@@H]1CC[C@](O)(CC[C@@H]2CCCO2)C1 83528767 573541231 /nfs/dbraw/zinc/54/12/31/573541231.db2.gz ZBANRTSHGGUIPY-WOPDTQHZSA-N 0 0 198.306 2.497 10 0 AEAERN O=Cc1c([O-])c(Cl)cc(F)c1F 107355923 573541250 /nfs/dbraw/zinc/54/12/50/573541250.db2.gz OKCLYEACRPZWEC-UHFFFAOYSA-N 0 0 192.548 2.136 10 0 AEAERN CSCC[C@@H](C(C)C)[C@@H](C)O 130303865 573541295 /nfs/dbraw/zinc/54/12/95/573541295.db2.gz UVRGDWNWQBUBIS-BDAKNGLRSA-N 0 0 176.325 2.393 10 0 AEAERN CCSCCC[C@@H](O)C1CC1 130306440 573541317 /nfs/dbraw/zinc/54/13/17/573541317.db2.gz FXPUELGAZCORKS-SECBINFHSA-N 0 0 174.309 2.291 10 0 AEAERN CN(C)c1cc(F)ccc1C(C)(C)O 259500126 573541323 /nfs/dbraw/zinc/54/13/23/573541323.db2.gz QWNJSRMUTLSTHZ-UHFFFAOYSA-N 0 0 197.253 2.119 10 0 AEAERN OCc1nc(C2CCCCCC2)c[nH]1 257824316 573541446 /nfs/dbraw/zinc/54/14/46/573541446.db2.gz GSKRQDPZYZZRKF-UHFFFAOYSA-N 0 0 194.278 2.340 10 0 AEAERN CNc1cnn(-c2ccccc2C)c1 107348472 573541329 /nfs/dbraw/zinc/54/13/29/573541329.db2.gz SMUDWYGEYQXXBR-UHFFFAOYSA-N 0 0 187.246 2.222 10 0 AEAERN C[C@H](CO)OC1(C)CCCCC1 238434837 573541346 /nfs/dbraw/zinc/54/13/46/573541346.db2.gz VYWCHYTYUMSSHV-SECBINFHSA-N 0 0 172.268 2.107 10 0 AEAERN O[C@@H]1CCC[C@H](CC[C@@H]2CCCO2)C1 83531855 573541357 /nfs/dbraw/zinc/54/13/57/573541357.db2.gz HAOGHGORODKXDE-UTUOFQBUSA-N 0 0 198.306 2.497 10 0 AEAERN CCOc1c(C=O)ccc(F)c1F 107347700 573541451 /nfs/dbraw/zinc/54/14/51/573541451.db2.gz FSFXDRQKNLPPAP-UHFFFAOYSA-N 0 0 186.157 2.176 10 0 AEAERN C[C@@H]1C[C@@H]1N1CCNc2ccccc21 107349262 573541477 /nfs/dbraw/zinc/54/14/77/573541477.db2.gz AWQCMXAVYRPELT-SKDRFNHKSA-N 0 0 188.274 2.327 10 0 AEAERN c1ccc2c(-n3cccn3)cncc2c1 308616681 573541801 /nfs/dbraw/zinc/54/18/01/573541801.db2.gz QBSMXHHASBHRPT-UHFFFAOYSA-N 0 0 195.225 2.421 10 0 AEAERN Cc1ccc(C(C)(C)O)cc1[C@H](C)O 238435520 573541833 /nfs/dbraw/zinc/54/18/33/573541833.db2.gz AGVVHBWJQZPIPE-VIFPVBQESA-N 0 0 194.274 2.276 10 0 AEAERN C[C@@H]1CCOc2ccccc2[C@@H]1O 238434804 573541844 /nfs/dbraw/zinc/54/18/44/573541844.db2.gz SBJSFFAQHSLRRQ-LDYMZIIASA-N 0 0 178.231 2.139 10 0 AEAERN C[C@H](CCO)[C@@H]1CCCCCC1=O 238435358 573543240 /nfs/dbraw/zinc/54/32/40/573543240.db2.gz IXCLYGQUTWKBJY-ZJUUUORDSA-N 0 0 184.279 2.154 10 0 AEAERN O[C@@H]1CCC[C@@H](CC[C@@H]2CCCO2)C1 83531856 573543280 /nfs/dbraw/zinc/54/32/80/573543280.db2.gz HAOGHGORODKXDE-TUAOUCFPSA-N 0 0 198.306 2.497 10 0 AEAERN CNc1cnn(-c2cccc(F)c2)c1 107352730 573542794 /nfs/dbraw/zinc/54/27/94/573542794.db2.gz DWKJUUFJEPQWHU-UHFFFAOYSA-N 0 0 191.209 2.053 10 0 AEAERN C[C@H](O)/C=C\[C@@H]1C(C)(C)CC[C@]1(C)O 308617145 573542805 /nfs/dbraw/zinc/54/28/05/573542805.db2.gz AXFCMHPJQKNAPX-LEAAUEPCSA-N 0 0 198.306 2.111 10 0 AEAERN C=C=C[C@@H](O)[C@H](C)c1ccccc1 238434766 573542860 /nfs/dbraw/zinc/54/28/60/573542860.db2.gz LGNJUDLJACDESL-ZYHUDNBSSA-N 0 0 174.243 2.492 10 0 AEAERN O[C@@H](CF)CCCCCCF 238678182 573542932 /nfs/dbraw/zinc/54/29/32/573542932.db2.gz GGKSWCSAYBKCIW-MRVPVSSYSA-N 0 0 166.211 2.237 10 0 AEAERN C[C@H]1C[C@@H]1N1CCNc2ccccc21 107349265 573543037 /nfs/dbraw/zinc/54/30/37/573543037.db2.gz AWQCMXAVYRPELT-CABZTGNLSA-N 0 0 188.274 2.327 10 0 AEAERN CNc1ccnn1-c1cccc(F)c1 107352723 573543066 /nfs/dbraw/zinc/54/30/66/573543066.db2.gz AQUREPCXWQAEBI-UHFFFAOYSA-N 0 0 191.209 2.053 10 0 AEAERN CC[C@H](O)Cc1nc(C)c(C)s1 83533425 573543152 /nfs/dbraw/zinc/54/31/52/573543152.db2.gz KXXJCEQWAFOAOB-QMMMGPOBSA-N 0 0 185.292 2.073 10 0 AEAERN O=C1CC[C@H](CC[C@@H]2CCCO2)C1 83531556 573543159 /nfs/dbraw/zinc/54/31/59/573543159.db2.gz ZGMIUSFZASZQMU-KOLCDFICSA-N 0 0 182.263 2.315 10 0 AEAERN CC(=O)[C@@H](C)[C@H](O)c1ccc(C)cc1 238435180 573543167 /nfs/dbraw/zinc/54/31/67/573543167.db2.gz PQCIGNNQOYZCQG-SKDRFNHKSA-N 0 0 192.258 2.254 10 0 AEAERN Cc1nc(C[C@@H](O)C(C)C)sc1C 83533428 573543189 /nfs/dbraw/zinc/54/31/89/573543189.db2.gz ZNVXJRVILQRWBY-SECBINFHSA-N 0 0 199.319 2.319 10 0 AEAERN COc1cccc([C@H]2CC[C@H]2CO)c1 257825278 573543350 /nfs/dbraw/zinc/54/33/50/573543350.db2.gz HDCKLSNCXAFCJS-CMPLNLGQSA-N 0 0 192.258 2.181 10 0 AEAERN C[C@@H]1CC[C@@](O)(CC[C@@H]2CCCO2)C1 83528769 573543382 /nfs/dbraw/zinc/54/33/82/573543382.db2.gz ZBANRTSHGGUIPY-GRYCIOLGSA-N 0 0 198.306 2.497 10 0 AEAERN Clc1nccc(-c2cc[nH]c2)n1 259499398 573543439 /nfs/dbraw/zinc/54/34/39/573543439.db2.gz LPXAKKHBJYDQPV-UHFFFAOYSA-N 0 0 179.610 2.125 10 0 AEAERN c1ccc2c(c1)NCCN2C1CCC1 107349272 573543471 /nfs/dbraw/zinc/54/34/71/573543471.db2.gz OSVAZBQVSKBMLJ-UHFFFAOYSA-N 0 0 188.274 2.471 10 0 AEAERN Cc1ccc(/C=C\COCCO)cc1 308626103 573543476 /nfs/dbraw/zinc/54/34/76/573543476.db2.gz LOMTUVSUJYHTRG-IHWYPQMZSA-N 0 0 192.258 2.017 10 0 AEAERN N[C@H](C1=CCCC1)C(F)(F)C(F)F 86638897 573543579 /nfs/dbraw/zinc/54/35/79/573543579.db2.gz SBZLBZVWWSMBMP-ZCFIWIBFSA-N 0 0 197.175 2.324 10 0 AEAERN O=C1CC[C@@H](CC[C@H]2CCCO2)C1 83531553 573543597 /nfs/dbraw/zinc/54/35/97/573543597.db2.gz ZGMIUSFZASZQMU-GXSJLCMTSA-N 0 0 182.263 2.315 10 0 AEAERN COc1cccc(C2=NC(=O)OC2)c1 257825385 573543692 /nfs/dbraw/zinc/54/36/92/573543692.db2.gz HFWZLYVHOQYHHM-UHFFFAOYSA-N 0 0 191.186 2.056 10 0 AEAERN Cc1cccc2c1CC(=O)[C@@H]2C 238434676 573543705 /nfs/dbraw/zinc/54/37/05/573543705.db2.gz FOPJYNFRHOIRGT-MRVPVSSYSA-N 0 0 160.216 2.224 10 0 AEAERN O=C1CCC[C@@H]1CC[C@H]1CCCO1 83527635 573543716 /nfs/dbraw/zinc/54/37/16/573543716.db2.gz AUEKZFOXEKPEQX-NXEZZACHSA-N 0 0 182.263 2.315 10 0 AEAERN COc1cccc([C@H]2CC[C@@H]2CO)c1 257825281 573543721 /nfs/dbraw/zinc/54/37/21/573543721.db2.gz HDCKLSNCXAFCJS-ZYHUDNBSSA-N 0 0 192.258 2.181 10 0 AEAERN Cc1ccn(-c2nc(C)c(C)s2)n1 83533615 573543756 /nfs/dbraw/zinc/54/37/56/573543756.db2.gz YIHADEHWHZSPBK-UHFFFAOYSA-N 0 0 193.275 2.254 10 0 AEAERN CO[C@@](C)(CCO)c1ccccc1C 257824828 573543784 /nfs/dbraw/zinc/54/37/84/573543784.db2.gz GZVKRDIUOSWGDM-LBPRGKRZSA-N 0 0 194.274 2.239 10 0 AEAERN CCC(CC)C[NH2+]Cc1ncccn1 130320239 573543840 /nfs/dbraw/zinc/54/38/40/573543840.db2.gz VRLHEGPXCIDYFN-UHFFFAOYSA-N 0 0 193.294 2.002 10 0 AEAERN CCc1[nH]cnc1-c1ccccc1N 257825011 573543851 /nfs/dbraw/zinc/54/38/51/573543851.db2.gz GXMPLKXZUHSRDV-UHFFFAOYSA-N 0 0 187.246 2.221 10 0 AEAERN CSCCCC[C@H](O)C1CC1 130307527 573543915 /nfs/dbraw/zinc/54/39/15/573543915.db2.gz RIBOMUSDBZUBIY-VIFPVBQESA-N 0 0 174.309 2.291 10 0 AEAERN C[C@H](CCO)[C@@H]1CC(=O)CC(C)(C)C1 238435300 573543957 /nfs/dbraw/zinc/54/39/57/573543957.db2.gz HSZMVMKJEAXXPM-NXEZZACHSA-N 0 0 198.306 2.400 10 0 AEAERN COc1cccc([C@@H]2CC[C@@H]2CO)c1 257825280 573544035 /nfs/dbraw/zinc/54/40/35/573544035.db2.gz HDCKLSNCXAFCJS-PWSUYJOCSA-N 0 0 192.258 2.181 10 0 AEAERN CCC1=C(CC)[C@H](C(C)(C)O)[C@@H]1CO 308611343 573544110 /nfs/dbraw/zinc/54/41/10/573544110.db2.gz YNIFTVZVKVWEPC-MNOVXSKESA-N 0 0 198.306 2.112 10 0 AEAERN Cc1ccc(NCO)cc1Cl 258766459 573544202 /nfs/dbraw/zinc/54/42/02/573544202.db2.gz YKDXMRGOCZRIHC-UHFFFAOYSA-N 0 0 171.627 2.010 10 0 AEAERN Cc1nc(C[C@H](O)C(C)C)sc1C 83533427 573544190 /nfs/dbraw/zinc/54/41/90/573544190.db2.gz ZNVXJRVILQRWBY-VIFPVBQESA-N 0 0 199.319 2.319 10 0 AEAERN C[C@@H]1[C@@H](C)C12CCCC2=O 238435621 573545490 /nfs/dbraw/zinc/54/54/90/573545490.db2.gz JVEWWZXXUINZPX-RNFRBKRXSA-N 0 0 138.210 2.012 10 0 AEAERN COc1cccc2cc(N)cc(O)c12 257824854 573545042 /nfs/dbraw/zinc/54/50/42/573545042.db2.gz HBDGWVURPDXPSZ-UHFFFAOYSA-N 0 0 189.214 2.136 10 0 AEAERN CC[C@@H](C)Oc1cccc(C=O)n1 238261696 573545043 /nfs/dbraw/zinc/54/50/43/573545043.db2.gz GYAQPUJGZSYOGU-MRVPVSSYSA-N 0 0 179.219 2.071 10 0 AEAERN CC(=O)c1cc2nc[nH]c2cc1Cl 107360766 573545074 /nfs/dbraw/zinc/54/50/74/573545074.db2.gz BJBCQYOUMHANGG-UHFFFAOYSA-N 0 0 194.621 2.419 10 0 AEAERN Cc1n[nH]cc1-c1ccccc1O 257824480 573545076 /nfs/dbraw/zinc/54/50/76/573545076.db2.gz GWDKTLAAANOUCB-UHFFFAOYSA-N 0 0 174.203 2.091 10 0 AEAERN COC[C@@H]1CCc2cccc(F)c2N1 107361730 573545103 /nfs/dbraw/zinc/54/51/03/573545103.db2.gz FHFCFHNPECNDOU-VIFPVBQESA-N 0 0 195.237 2.199 10 0 AEAERN C[C@@H]1CCCN1c1cc(N)ccc1F 86658230 573545124 /nfs/dbraw/zinc/54/51/24/573545124.db2.gz JNIJVKGUNRRSGA-MRVPVSSYSA-N 0 0 194.253 2.397 10 0 AEAERN CC1N=C(c2ccc[nH]2)SC1=O 259119106 573545128 /nfs/dbraw/zinc/54/51/28/573545128.db2.gz BRDNARBARCNHAG-UHFFFAOYSA-N 0 0 180.232 2.152 10 0 AEAERN COCCCC[C@H](O)c1coc(C)c1 308611287 573545194 /nfs/dbraw/zinc/54/51/94/573545194.db2.gz YKPGFFWTSBOBPP-NSHDSACASA-N 0 0 198.262 2.438 10 0 AEAERN CC(=O)C(F)(F)[C@@H]1CCCS1 257825076 573545201 /nfs/dbraw/zinc/54/52/01/573545201.db2.gz GZTYVLJVOAAGNP-LURJTMIESA-N 0 0 180.219 2.106 10 0 AEAERN Cc1cc(Cl)cc([C@H](C)O)c1O 238436152 573545203 /nfs/dbraw/zinc/54/52/03/573545203.db2.gz LXKZVPQZTJWPFJ-LURJTMIESA-N 0 0 186.638 2.407 10 0 AEAERN C[C@H](CO)[C@@H]1CCc2ccc(O)cc21 257824758 573545232 /nfs/dbraw/zinc/54/52/32/573545232.db2.gz GXTWKAAPPKGBFI-KCJUWKMLSA-N 0 0 192.258 2.050 10 0 AEAERN COc1c(O)cccc1SC 238436386 573545255 /nfs/dbraw/zinc/54/52/55/573545255.db2.gz CGPGJGQINGLILE-UHFFFAOYSA-N 0 0 170.233 2.123 10 0 AEAERN Cc1cc(O)ccc1[C@H](C)CCO 238436036 573545275 /nfs/dbraw/zinc/54/52/75/573545275.db2.gz ZZCDVZYBAMRWOH-MRVPVSSYSA-N 0 0 180.247 2.187 10 0 AEAERN OC[C@@H]1CC[C@@H]1c1cccc(F)c1 257824390 573545276 /nfs/dbraw/zinc/54/52/76/573545276.db2.gz GSGFUXKFMVLCQF-GXSJLCMTSA-N 0 0 180.222 2.312 10 0 AEAERN CSC1(SC)C(=O)CC[C@@H]1C 39112101 573545281 /nfs/dbraw/zinc/54/52/81/573545281.db2.gz XFYXKWZPSBZQCG-LURJTMIESA-N 0 0 190.333 2.408 10 0 AEAERN C[C@@H]1CCC(=O)c2cccnc21 238436252 573545282 /nfs/dbraw/zinc/54/52/82/573545282.db2.gz GUCUZQWXUHUGCQ-SSDOTTSWSA-N 0 0 161.204 2.162 10 0 AEAERN Cc1cnc(Cl)c([C@H](C)O)c1 238435987 573545308 /nfs/dbraw/zinc/54/53/08/573545308.db2.gz NQXLXUBREGGYTD-LURJTMIESA-N 0 0 171.627 2.097 10 0 AEAERN C[C@H](CCO)[C@H]1CC(=O)CC(C)(C)C1 238435623 573545313 /nfs/dbraw/zinc/54/53/13/573545313.db2.gz HSZMVMKJEAXXPM-ZJUUUORDSA-N 0 0 198.306 2.400 10 0 AEAERN CC(C)C[C@]1(O)CCC[C@H]1/C=C\CO 308626910 573545373 /nfs/dbraw/zinc/54/53/73/573545373.db2.gz NODSLRURLOPQEB-XEGQIGPUSA-N 0 0 198.306 2.112 10 0 AEAERN CC(=O)C(F)(F)[C@H]1CCCSC1 257824825 573545408 /nfs/dbraw/zinc/54/54/08/573545408.db2.gz GZSATKVFKGLUIQ-ZETCQYMHSA-N 0 0 194.246 2.354 10 0 AEAERN CC(=O)[C@@H]1CC[C@@H](C)[C@@H]1C 238436267 573545413 /nfs/dbraw/zinc/54/54/13/573545413.db2.gz ONBABKGXIKBWKD-BKPPORCPSA-N 0 0 140.226 2.258 10 0 AEAERN Nc1ccc2c(c1)C[C@H](C(F)F)C2 257825004 573545438 /nfs/dbraw/zinc/54/54/38/573545438.db2.gz GWUDYLGPSBEQET-MRVPVSSYSA-N 0 0 183.201 2.249 10 0 AEAERN C[C@H](CCO)[C@H]1CCCCCC1=O 238435687 573545842 /nfs/dbraw/zinc/54/58/42/573545842.db2.gz IXCLYGQUTWKBJY-NXEZZACHSA-N 0 0 184.279 2.154 10 0 AEAERN OCCCc1ncc(C2CCCC2)o1 258062850 573545700 /nfs/dbraw/zinc/54/57/00/573545700.db2.gz KUSAQTLXLPVGAK-UHFFFAOYSA-N 0 0 195.262 2.257 10 0 AEAERN COC[C@@H]1CNc2cc(F)ccc2C1 107361741 573545722 /nfs/dbraw/zinc/54/57/22/573545722.db2.gz ZUYYWAIGTXHVMA-QMMMGPOBSA-N 0 0 195.237 2.056 10 0 AEAERN Nc1cc(C2CCCCC2)c[nH]c1=O 257825334 573545746 /nfs/dbraw/zinc/54/57/46/573545746.db2.gz HEJBMWNSUAOOLE-UHFFFAOYSA-N 0 0 192.262 2.417 10 0 AEAERN CC(C)N1CCNc2cc(O)ccc21 257825365 573545810 /nfs/dbraw/zinc/54/58/10/573545810.db2.gz HFAIDMXWJOPISM-UHFFFAOYSA-N 0 0 192.262 2.033 10 0 AEAERN O[C@H]1C=C(Cc2ccc(F)cc2)CC1 83548561 573547882 /nfs/dbraw/zinc/54/78/82/573547882.db2.gz MZNOFBRXKLWGCJ-GFCCVEGCSA-N 0 0 192.233 2.449 10 0 AEAERN C[C@]1(C(N)=O)C[C@]2(C)CCC[C@H]1C2 238436454 573549092 /nfs/dbraw/zinc/54/90/92/573549092.db2.gz DVZOXJCQOSTQCS-GDPRMGEGSA-N 0 0 181.279 2.078 10 0 AEAERN OC[C@H]1CCc2cccc(Cl)c2N1 107366293 573546926 /nfs/dbraw/zinc/54/69/26/573546926.db2.gz LFPBRKYKRZUZLJ-MRVPVSSYSA-N 0 0 197.665 2.059 10 0 AEAERN COc1cccc(C2=C[C@H](O)CC2)c1 83549042 573546946 /nfs/dbraw/zinc/54/69/46/573546946.db2.gz LPNAACNCPCRKSZ-LLVKDONJSA-N 0 0 190.242 2.233 10 0 AEAERN C[C@@H]1[C@@H](C)C12CCCCC2=O 238435639 573546990 /nfs/dbraw/zinc/54/69/90/573546990.db2.gz PHWWCIVRMHMPMZ-HTQZYQBOSA-N 0 0 152.237 2.402 10 0 AEAERN COCCCC[C@@H](O)c1coc(C)c1 308611286 573547506 /nfs/dbraw/zinc/54/75/06/573547506.db2.gz YKPGFFWTSBOBPP-LLVKDONJSA-N 0 0 198.262 2.438 10 0 AEAERN COc1ccccc1C1=C[C@H](O)CC1 83549160 573547060 /nfs/dbraw/zinc/54/70/60/573547060.db2.gz YRUOLVSDRNUXIP-SNVBAGLBSA-N 0 0 190.242 2.233 10 0 AEAERN COC[C@H]1CNc2cc(F)ccc2C1 107361739 573547061 /nfs/dbraw/zinc/54/70/61/573547061.db2.gz ZUYYWAIGTXHVMA-MRVPVSSYSA-N 0 0 195.237 2.056 10 0 AEAERN O[C@H]1C=C(CC[C@@H]2CCCO2)CC1 83548873 573547099 /nfs/dbraw/zinc/54/70/99/573547099.db2.gz SJOKKRZUQIVHNM-MNOVXSKESA-N 0 0 182.263 2.027 10 0 AEAERN CSc1nc(C=O)cc(C(C)C)n1 238436549 573547137 /nfs/dbraw/zinc/54/71/37/573547137.db2.gz NDEQVGNJKDGDCA-UHFFFAOYSA-N 0 0 196.275 2.134 10 0 AEAERN O[C@H]1C=C(Cc2ccccc2F)CC1 83548663 573547196 /nfs/dbraw/zinc/54/71/96/573547196.db2.gz DVDVOBLZUHFFTN-LLVKDONJSA-N 0 0 192.233 2.449 10 0 AEAERN CC(C)OC(=O)N(C)C(C)(C)C 220736737 573547257 /nfs/dbraw/zinc/54/72/57/573547257.db2.gz KPEBVSHIAUMPFR-UHFFFAOYSA-N 0 0 173.256 2.262 10 0 AEAERN Cc1cc([C@H](N)C(F)(F)F)oc1C 95641743 573547286 /nfs/dbraw/zinc/54/72/86/573547286.db2.gz OBBIIRAHVYWKEC-ZETCQYMHSA-N 0 0 193.168 2.459 10 0 AEAERN CC(C)(C)C1=C[C@H](O)CC1 83549018 573547321 /nfs/dbraw/zinc/54/73/21/573547321.db2.gz DXBVMTGGJAWCND-MRVPVSSYSA-N 0 0 140.226 2.114 10 0 AEAERN O[C@H]1C=C(Cc2cccc(F)c2)CC1 83548568 573547358 /nfs/dbraw/zinc/54/73/58/573547358.db2.gz FQDXYDZFEUOJLF-GFCCVEGCSA-N 0 0 192.233 2.449 10 0 AEAERN OC[C@@H]1CCc2ccc(Cl)cc2N1 107366285 573547413 /nfs/dbraw/zinc/54/74/13/573547413.db2.gz VHADTWJKNTVMTL-VIFPVBQESA-N 0 0 197.665 2.059 10 0 AEAERN COc1ccc(C2=C[C@@H](O)CC2)cc1 83549165 573547517 /nfs/dbraw/zinc/54/75/17/573547517.db2.gz XTKFDCYDAZXOLZ-NSHDSACASA-N 0 0 190.242 2.233 10 0 AEAERN CC(=O)N[C@@H]1C[C@H](C)[C@@H](C)C[C@@H]1C 238436653 573547518 /nfs/dbraw/zinc/54/75/18/573547518.db2.gz MZIBYOMOPLFNPL-FTYOSLGDSA-N 0 0 183.295 2.193 10 0 AEAERN CC(=O)c1cccc(N2CC[C@H]2C)c1 86662615 573547531 /nfs/dbraw/zinc/54/75/31/573547531.db2.gz REVVKCMWRZJDNB-SECBINFHSA-N 0 0 189.258 2.488 10 0 AEAERN Cc1cc([C@@H](N)C(F)(F)F)oc1C 95641820 573547552 /nfs/dbraw/zinc/54/75/52/573547552.db2.gz OBBIIRAHVYWKEC-SSDOTTSWSA-N 0 0 193.168 2.459 10 0 AEAERN CC(=O)c1ccc(/C=C\CCO)cc1 308619209 573547575 /nfs/dbraw/zinc/54/75/75/573547575.db2.gz CXGNUMPETTUHLF-RQOWECAXSA-N 0 0 190.242 2.285 10 0 AEAERN CC[C@H](O)/C=C\[C@@H](O)c1ccccc1 308626476 573547583 /nfs/dbraw/zinc/54/75/83/573547583.db2.gz MTPSDAGUQPDEET-RZRXIGATSA-N 0 0 192.258 2.047 10 0 AEAERN CC1=C(C)[C@H]([C@H](C)CO)CC1 238436139 573547603 /nfs/dbraw/zinc/54/76/03/573547603.db2.gz QZSUHKXWUYLOLW-SCZZXKLOSA-N 0 0 154.253 2.361 10 0 AEAERN OCC[C@@H]1CCCc2ccc(O)cc21 257826269 573547605 /nfs/dbraw/zinc/54/76/05/573547605.db2.gz HNFFLMHWGKUFGQ-JTQLQIEISA-N 0 0 192.258 2.195 10 0 AEAERN Cc1cc(O)ccc1CC[C@H](C)O 238436015 573547610 /nfs/dbraw/zinc/54/76/10/573547610.db2.gz NBKORDBAPHSJFM-VIFPVBQESA-N 0 0 180.247 2.014 10 0 AEAERN CC(C)c1n[nH]c2ccc(C=O)cc12 257826285 573547636 /nfs/dbraw/zinc/54/76/36/573547636.db2.gz HNUKWLPZMFBUIW-UHFFFAOYSA-N 0 0 188.230 2.499 10 0 AEAERN Nc1c(O)cccc1CC(F)(F)F 257825802 573547675 /nfs/dbraw/zinc/54/76/75/573547675.db2.gz HIGCGEHJGVOLIW-UHFFFAOYSA-N 0 0 191.152 2.079 10 0 AEAERN CC[C@](C)(O)c1ccnc(Cl)c1 224289019 573547688 /nfs/dbraw/zinc/54/76/88/573547688.db2.gz BMFAXMCCHCSPLF-VIFPVBQESA-N 0 0 185.654 2.353 10 0 AEAERN O[C@@H]1C=C(CC[C@H]2CCCO2)CC1 83548875 573547691 /nfs/dbraw/zinc/54/76/91/573547691.db2.gz SJOKKRZUQIVHNM-WDEREUQCSA-N 0 0 182.263 2.027 10 0 AEAERN C[C@@H]1CCC(C(C)(C)O)=C(CCO)C1 238436457 573547696 /nfs/dbraw/zinc/54/76/96/573547696.db2.gz OPAJVRLBHFBPMY-SECBINFHSA-N 0 0 198.306 2.256 10 0 AEAERN C[C@@]1(c2ccccc2)CCC1=O 95627231 573547722 /nfs/dbraw/zinc/54/77/22/573547722.db2.gz FVQRGEDTAZCSGH-NSHDSACASA-N 0 0 160.216 2.307 10 0 AEAERN CC(=O)c1ccc(N2CC(C)C2)cc1 86662601 573547791 /nfs/dbraw/zinc/54/77/91/573547791.db2.gz YRXYGSFBLVJHPD-UHFFFAOYSA-N 0 0 189.258 2.345 10 0 AEAERN COC[C@H]1CCc2ccc(F)cc2N1 107361727 573547819 /nfs/dbraw/zinc/54/78/19/573547819.db2.gz ODXNALDNQFVFAU-SNVBAGLBSA-N 0 0 195.237 2.199 10 0 AEAERN CCC1=C(CC)[C@H](C(C)(C)O)[C@H]1CO 308611344 573547841 /nfs/dbraw/zinc/54/78/41/573547841.db2.gz YNIFTVZVKVWEPC-QWRGUYRKSA-N 0 0 198.306 2.112 10 0 AEAERN C[C@@]12CCC[C@@H](CC[C@@H]1O)C2 238436770 573547846 /nfs/dbraw/zinc/54/78/46/573547846.db2.gz IGWBPWNUSBEOLM-GUBZILKMSA-N 0 0 154.253 2.338 10 0 AEAERN COc1cccc2c1[C@H](OC)CCN2 257826330 573547866 /nfs/dbraw/zinc/54/78/66/573547866.db2.gz HPANSILIPYKGIK-SNVBAGLBSA-N 0 0 193.246 2.198 10 0 AEAERN CC(C)c1c[nH]c(=O)c2c1CCC2 257826000 573547875 /nfs/dbraw/zinc/54/78/75/573547875.db2.gz HILJZOFRSUKTPT-UHFFFAOYSA-N 0 0 177.247 2.399 10 0 AEAERN O[C@H]1C=C(C2CCCC2)CC1 83549035 573547877 /nfs/dbraw/zinc/54/78/77/573547877.db2.gz ITERDNUHEDOJFC-SNVBAGLBSA-N 0 0 152.237 2.258 10 0 AEAERN C[C@H](CO)[C@@H]1CCOc2ccccc21 238436257 573547895 /nfs/dbraw/zinc/54/78/95/573547895.db2.gz LRGJIDQRDPWQCY-ZJUUUORDSA-N 0 0 192.258 2.181 10 0 AEAERN OCC[C@@H]1Cc2ccc(Cl)cc2C1 257826201 573547897 /nfs/dbraw/zinc/54/78/97/573547897.db2.gz HKZNCVCBHAXSGN-MRVPVSSYSA-N 0 0 196.677 2.437 10 0 AEAERN C[C@@H]1CCC(=O)c2ncccc21 238436315 573547903 /nfs/dbraw/zinc/54/79/03/573547903.db2.gz HERRXROZLCDYPJ-SSDOTTSWSA-N 0 0 161.204 2.162 10 0 AEAERN C[C@H](CCO)[C@@H]1CC=CCC1 238435674 573547998 /nfs/dbraw/zinc/54/79/98/573547998.db2.gz GTCMUKRKLZJADV-NXEZZACHSA-N 0 0 154.253 2.361 10 0 AEAERN O[C@H]1C=C(c2ccccc2F)CC1 83549066 573547999 /nfs/dbraw/zinc/54/79/99/573547999.db2.gz XTIOFBWKUCIBAW-SECBINFHSA-N 0 0 178.206 2.364 10 0 AEAERN CC[C@H](O)/C=C\c1cccc(OC)c1 308619234 573548004 /nfs/dbraw/zinc/54/80/04/573548004.db2.gz CZFOGTDUQPZBFO-TVRMLOFPSA-N 0 0 192.258 2.479 10 0 AEAERN C[C@@H]1CCC(=O)[C@H]2CC[C@@]21C 238435776 573548039 /nfs/dbraw/zinc/54/80/39/573548039.db2.gz AQRABYRDRFFHED-NQMVMOMDSA-N 0 0 152.237 2.402 10 0 AEAERN OCCC=C1CCCCC1 197383398 573548049 /nfs/dbraw/zinc/54/80/49/573548049.db2.gz ZZXOPXGKYRFYST-UHFFFAOYSA-N 0 0 140.226 2.259 10 0 AEAERN C[C@@H]1CCCN1c1ccc(F)c(N)c1 86658248 573548051 /nfs/dbraw/zinc/54/80/51/573548051.db2.gz YAEWMOMNEGODLZ-MRVPVSSYSA-N 0 0 194.253 2.397 10 0 AEAERN CC(C)(C)C1=C[C@@H](O)CC1 83549020 573548105 /nfs/dbraw/zinc/54/81/05/573548105.db2.gz DXBVMTGGJAWCND-QMMMGPOBSA-N 0 0 140.226 2.114 10 0 AEAERN Cn1nc(Cl)nc1-c1ccccc1 107358238 573548106 /nfs/dbraw/zinc/54/81/06/573548106.db2.gz YFHNQQYYZZXLKC-UHFFFAOYSA-N 0 0 193.637 2.136 10 0 AEAERN O[C@@H]1C=C(Cc2ccsc2)CC1 83548690 573548114 /nfs/dbraw/zinc/54/81/14/573548114.db2.gz FFBHOMNIQZRYJZ-JTQLQIEISA-N 0 0 180.272 2.372 10 0 AEAERN C[C@@H]1CCC(=O)c2c(O)cccc21 238436095 573548119 /nfs/dbraw/zinc/54/81/19/573548119.db2.gz WILUKQLCNSHNDI-SSDOTTSWSA-N 0 0 176.215 2.472 10 0 AEAERN O[C@@H]1C=C(c2cccc(F)c2)CC1 83548674 573549139 /nfs/dbraw/zinc/54/91/39/573549139.db2.gz IXHUVSLQNCBBTM-NSHDSACASA-N 0 0 178.206 2.364 10 0 AEAERN OC[C@H]1CCc2ccc(Cl)cc2N1 107366288 573548148 /nfs/dbraw/zinc/54/81/48/573548148.db2.gz VHADTWJKNTVMTL-SECBINFHSA-N 0 0 197.665 2.059 10 0 AEAERN C[C@H]1C(=O)CC[C@@H]1c1ccc(O)cc1 238435748 573548194 /nfs/dbraw/zinc/54/81/94/573548194.db2.gz SUGLHVNNKKDINR-KCJUWKMLSA-N 0 0 190.242 2.475 10 0 AEAERN O=C1CCc2c(F)cccc2C12CC2 259118538 573548198 /nfs/dbraw/zinc/54/81/98/573548198.db2.gz FSCGUUDLTUZRGV-UHFFFAOYSA-N 0 0 190.217 2.373 10 0 AEAERN CC(C)CC1=C[C@@H](O)CC1 83548744 573548203 /nfs/dbraw/zinc/54/82/03/573548203.db2.gz KLNHTBDGFCFKMW-VIFPVBQESA-N 0 0 140.226 2.114 10 0 AEAERN N=C(N)c1oc2ccccc2c1Cl 107360745 573548218 /nfs/dbraw/zinc/54/82/18/573548218.db2.gz OEOOYMVDROYUTN-UHFFFAOYSA-N 0 0 194.621 2.370 10 0 AEAERN O[C@H]1C=C(c2ccsc2)CC1 83548973 573548246 /nfs/dbraw/zinc/54/82/46/573548246.db2.gz CUTJJQJFASBEAB-SECBINFHSA-N 0 0 166.245 2.286 10 0 AEAERN C[C@H]1CCCN1c1cc(N)ccc1F 86658231 573548287 /nfs/dbraw/zinc/54/82/87/573548287.db2.gz JNIJVKGUNRRSGA-QMMMGPOBSA-N 0 0 194.253 2.397 10 0 AEAERN O[C@H]1C=C(c2cccs2)CC1 83548837 573548288 /nfs/dbraw/zinc/54/82/88/573548288.db2.gz HDHOLPVXTJGOBV-MRVPVSSYSA-N 0 0 166.245 2.286 10 0 AEAERN O[C@@H]1C=C(c2cccs2)CC1 83548839 573548294 /nfs/dbraw/zinc/54/82/94/573548294.db2.gz HDHOLPVXTJGOBV-QMMMGPOBSA-N 0 0 166.245 2.286 10 0 AEAERN C[C@@H]1CCC(=O)c2cc(O)ccc21 238436158 573548295 /nfs/dbraw/zinc/54/82/95/573548295.db2.gz UMPWUMMCMGLQCK-SSDOTTSWSA-N 0 0 176.215 2.472 10 0 AEAERN O=Cc1nc(-c2ccccc2F)co1 257826344 573548357 /nfs/dbraw/zinc/54/83/57/573548357.db2.gz HPIJNTMWKXYTER-UHFFFAOYSA-N 0 0 191.161 2.293 10 0 AEAERN C[C@H](CO)[C@@H](F)c1ccccc1 238435593 573548362 /nfs/dbraw/zinc/54/83/62/573548362.db2.gz OUZYOLCEBXGCBV-PSASIEDQSA-N 0 0 168.211 2.326 10 0 AEAERN O[C@@H]1C=C(Cc2cccc(F)c2)CC1 83548570 573548368 /nfs/dbraw/zinc/54/83/68/573548368.db2.gz FQDXYDZFEUOJLF-LBPRGKRZSA-N 0 0 192.233 2.449 10 0 AEAERN C[C@H](CO)[C@]1(C)C=CCCC1 238436586 573548378 /nfs/dbraw/zinc/54/83/78/573548378.db2.gz GEKPFFCPFRXVKX-NXEZZACHSA-N 0 0 154.253 2.361 10 0 AEAERN O[C@H]1C=C(CCC[C@H]2CCCO2)CC1 83548864 573548397 /nfs/dbraw/zinc/54/83/97/573548397.db2.gz KHIOXVLDFXVARH-NEPJUHHUSA-N 0 0 196.290 2.417 10 0 AEAERN C[C@@H]1CCC(=O)[C@@]12C=CCC2 238435916 573548400 /nfs/dbraw/zinc/54/84/00/573548400.db2.gz MPEGJVTWAJEXFR-PSASIEDQSA-N 0 0 150.221 2.322 10 0 AEAERN COC[C@@H]1CCc2cc(F)ccc2N1 107361719 573548407 /nfs/dbraw/zinc/54/84/07/573548407.db2.gz KIQDGHZEIKSBSP-JTQLQIEISA-N 0 0 195.237 2.199 10 0 AEAERN O[C@H]1C=C(Cc2ccsc2)CC1 83548688 573548427 /nfs/dbraw/zinc/54/84/27/573548427.db2.gz FFBHOMNIQZRYJZ-SNVBAGLBSA-N 0 0 180.272 2.372 10 0 AEAERN CSc1cccc([C@H](F)CO)c1 257825543 573548428 /nfs/dbraw/zinc/54/84/28/573548428.db2.gz GQWHJMIHUDYVLA-SECBINFHSA-N 0 0 186.251 2.411 10 0 AEAERN O[C@H]1C=C(c2ccc(F)cc2)CC1 83549045 573549049 /nfs/dbraw/zinc/54/90/49/573549049.db2.gz NWOJWQIYRQQCAH-LLVKDONJSA-N 0 0 178.206 2.364 10 0 AEAERN CC1=C(C)C[C@](O)([C@H](C)CCO)CC1 238435813 573548511 /nfs/dbraw/zinc/54/85/11/573548511.db2.gz IYHWWMABNADWDL-NEPJUHHUSA-N 0 0 198.306 2.256 10 0 AEAERN OC[C@H]1CCc2cc(Cl)ccc2N1 107366280 573548535 /nfs/dbraw/zinc/54/85/35/573548535.db2.gz SCNJYNSLUUZKIB-SECBINFHSA-N 0 0 197.665 2.059 10 0 AEAERN C[C@@H]1CCC(=O)c2ccc(O)cc21 238436185 573548549 /nfs/dbraw/zinc/54/85/49/573548549.db2.gz UQXNDEIYWRXXAE-SSDOTTSWSA-N 0 0 176.215 2.472 10 0 AEAERN CN[C@H](C)C(F)(F)Cc1ccccc1 257825688 573548633 /nfs/dbraw/zinc/54/86/33/573548633.db2.gz FOWYQLYPPUCHHW-SECBINFHSA-N 0 0 199.244 2.472 10 0 AEAERN CC(C)(C)C1(CO)CCC1 259117893 573548635 /nfs/dbraw/zinc/54/86/35/573548635.db2.gz GETIKDCHOWCYLW-UHFFFAOYSA-N 0 0 142.242 2.195 10 0 AEAERN C[C@@]12CCC[C@@H](CC1=O)C2 238436673 573548641 /nfs/dbraw/zinc/54/86/41/573548641.db2.gz SEKLSOANPFYQBG-CBAPKCEASA-N 0 0 138.210 2.156 10 0 AEAERN COc1cc(N)cc2cccc(O)c12 257826225 573548644 /nfs/dbraw/zinc/54/86/44/573548644.db2.gz HMEPUSUGFWBJFK-UHFFFAOYSA-N 0 0 189.214 2.136 10 0 AEAERN COC[C@H]1CNc2ccc(F)cc2C1 107361735 573549148 /nfs/dbraw/zinc/54/91/48/573549148.db2.gz RVCDQUSWJZNGLF-MRVPVSSYSA-N 0 0 195.237 2.056 10 0 AEAERN COc1ccc([C@H](F)CO)c(C)c1 257826104 573548674 /nfs/dbraw/zinc/54/86/74/573548674.db2.gz GZHWELFIVPXSQF-SNVBAGLBSA-N 0 0 184.210 2.007 10 0 AEAERN O=C1CCC(n2cccc2)CC1 86662567 573548733 /nfs/dbraw/zinc/54/87/33/573548733.db2.gz UNAGSSJGDUDATM-UHFFFAOYSA-N 0 0 163.220 2.172 10 0 AEAERN Cc1ccsc1-c1cnc(CN)o1 83554428 573548749 /nfs/dbraw/zinc/54/87/49/573548749.db2.gz YKQJPRDMYMWWNP-UHFFFAOYSA-N 0 0 194.259 2.170 10 0 AEAERN C[C@H](CO)[C@@H]1CCc2ccccc2N1 238436531 573548768 /nfs/dbraw/zinc/54/87/68/573548768.db2.gz WRNWUHGXOBWBDX-KOLCDFICSA-N 0 0 191.274 2.042 10 0 AEAERN COc1ccccc1C1=C[C@@H](O)CC1 83549162 573548936 /nfs/dbraw/zinc/54/89/36/573548936.db2.gz YRUOLVSDRNUXIP-JTQLQIEISA-N 0 0 190.242 2.233 10 0 AEAERN O[C@@H]1C=C(CC[C@@H]2CCCO2)CC1 83548877 573548944 /nfs/dbraw/zinc/54/89/44/573548944.db2.gz SJOKKRZUQIVHNM-QWRGUYRKSA-N 0 0 182.263 2.027 10 0 AEAERN Cc1cc(-c2cnc(CN)o2)c(C)o1 83554483 573548952 /nfs/dbraw/zinc/54/89/52/573548952.db2.gz SXJTXUHZSJIEPT-UHFFFAOYSA-N 0 0 192.218 2.010 10 0 AEAERN CSc1nc(CC(C)C)c[nH]1 238436589 573548970 /nfs/dbraw/zinc/54/89/70/573548970.db2.gz LEHZTOIDSUPBPI-UHFFFAOYSA-N 0 0 170.281 2.330 10 0 AEAERN O[C@H]1C=C(CC[C@H]2CCCO2)CC1 83548871 573548995 /nfs/dbraw/zinc/54/89/95/573548995.db2.gz SJOKKRZUQIVHNM-GHMZBOCLSA-N 0 0 182.263 2.027 10 0 AEAERN COC[C@@H]1CNc2c(F)cccc2C1 107361746 573548997 /nfs/dbraw/zinc/54/89/97/573548997.db2.gz RUYXQEQXQQSZMM-QMMMGPOBSA-N 0 0 195.237 2.056 10 0 AEAERN C[C@@H](N)c1ncc(C2CCCC2)o1 83554565 573550318 /nfs/dbraw/zinc/55/03/18/573550318.db2.gz JYIZZAPARVWRMR-SSDOTTSWSA-N 0 0 180.251 2.352 10 0 AEAERN CC(C)CNC(=S)c1ccccn1 197386198 573550319 /nfs/dbraw/zinc/55/03/19/573550319.db2.gz KYYYGIOWCUGWCW-UHFFFAOYSA-N 0 0 194.303 2.003 10 0 AEAERN COc1ccc(NC(C)C)cc1N 86662871 573550340 /nfs/dbraw/zinc/55/03/40/573550340.db2.gz WGKJLVKHRLGTTN-UHFFFAOYSA-N 0 0 180.251 2.098 10 0 AEAERN COc1cccc2c1[C@@H](OC)CCN2 257826328 573550342 /nfs/dbraw/zinc/55/03/42/573550342.db2.gz HPANSILIPYKGIK-JTQLQIEISA-N 0 0 193.246 2.198 10 0 AEAERN Cc1ccccc1C1(CO)CC(F)C1 257826232 573550359 /nfs/dbraw/zinc/55/03/59/573550359.db2.gz HMLXSKFQUMKAHW-UHFFFAOYSA-N 0 0 194.249 2.357 10 0 AEAERN C[C@H](N)c1ncc(CC(C)(C)C)o1 83554683 573550384 /nfs/dbraw/zinc/55/03/84/573550384.db2.gz DLIWGNSLRINJCX-ZETCQYMHSA-N 0 0 182.267 2.283 10 0 AEAERN CCc1ccc(C)cc1CO 144678242 573550387 /nfs/dbraw/zinc/55/03/87/573550387.db2.gz XCISMSXCGSKVNX-UHFFFAOYSA-N 0 0 150.221 2.050 10 0 AEAERN CC1=CC[C@H]([C@H](C)CO)[C@@H]1C 238437514 573551764 /nfs/dbraw/zinc/55/17/64/573551764.db2.gz VLYSIMKVJHDADT-OPRDCNLKSA-N 0 0 154.253 2.217 10 0 AEAERN CC(=O)[C@H](/C=C\[C@H](C)O)CC=C(C)C 308627867 573551767 /nfs/dbraw/zinc/55/17/67/573551767.db2.gz PIDCTAKKESWKRY-YRTIHCGXSA-N 0 0 196.290 2.485 10 0 AEAERN Cc1ccc(-c2ccncc2N)c(N)c1 308869948 573550459 /nfs/dbraw/zinc/55/04/59/573550459.db2.gz YNZAUQUUQVHPLH-UHFFFAOYSA-N 0 0 199.257 2.221 10 0 AEAERN C[C@H]1CC[C@H](C)N1c1ccc(N)cn1 238438326 573550464 /nfs/dbraw/zinc/55/04/64/573550464.db2.gz XNRLKWOLLPIQJI-IUCAKERBSA-N 0 0 191.278 2.041 10 0 AEAERN Cc1ccsc1-c1n[nH]cc1N 259122673 573550514 /nfs/dbraw/zinc/55/05/14/573550514.db2.gz IUCLWMSBHIKKCS-UHFFFAOYSA-N 0 0 179.248 2.029 10 0 AEAERN Cc1ccc(N)c(C[C@H]2CCCO2)c1 257825809 573550517 /nfs/dbraw/zinc/55/05/17/573550517.db2.gz HITKIIYYCJWDQH-LLVKDONJSA-N 0 0 191.274 2.299 10 0 AEAERN CC1=C(C)[C@@H]([C@H](C)CO)CC1 238437553 573550595 /nfs/dbraw/zinc/55/05/95/573550595.db2.gz QZSUHKXWUYLOLW-PSASIEDQSA-N 0 0 154.253 2.361 10 0 AEAERN CNc1c(C2CCC2)n[nH]c1C 259122558 573550633 /nfs/dbraw/zinc/55/06/33/573550633.db2.gz IRWFSYCDIZTABA-UHFFFAOYSA-N 0 0 165.240 2.027 10 0 AEAERN C/C=C\C[C@@H](O)COc1ccccc1 308628242 573550671 /nfs/dbraw/zinc/55/06/71/573550671.db2.gz PXBYLPYCZIEEQP-OTDNITJGSA-N 0 0 192.258 2.393 10 0 AEAERN C[C@H](CO)[C@@]1(C)C=CCCC1 238438085 573550680 /nfs/dbraw/zinc/55/06/80/573550680.db2.gz GEKPFFCPFRXVKX-ZJUUUORDSA-N 0 0 154.253 2.361 10 0 AEAERN CCC(=O)[C@@H](C)/C=C(\C)[C@@H](O)CC 393534153 573550699 /nfs/dbraw/zinc/55/06/99/573550699.db2.gz FZNHNUYOCSBYBT-BLQZWDIZSA-N 0 0 184.279 2.319 10 0 AEAERN CC(=O)[C@H](/C=C/[C@@H](C)O)CC=C(C)C 308627864 573550710 /nfs/dbraw/zinc/55/07/10/573550710.db2.gz PIDCTAKKESWKRY-LXIAQJANSA-N 0 0 196.290 2.485 10 0 AEAERN C[C@]1(c2ccccc2)CCC1=O 95627230 573550714 /nfs/dbraw/zinc/55/07/14/573550714.db2.gz FVQRGEDTAZCSGH-LLVKDONJSA-N 0 0 160.216 2.307 10 0 AEAERN CCCCCCc1c(C)nc[nH]c1=O 33639369 573550730 /nfs/dbraw/zinc/55/07/30/573550730.db2.gz MCTGQFTYMMFWLE-UHFFFAOYSA-N 0 0 194.278 2.201 10 0 AEAERN COCc1cc(F)nc(C2CCC2)n1 690046401 573550733 /nfs/dbraw/zinc/55/07/33/573550733.db2.gz GPNGASXVLSAWNM-UHFFFAOYSA-N 0 0 196.225 2.030 10 0 AEAERN C[C@]12CC=C[C@H](O)[C@H]1CCC2 238438306 573550827 /nfs/dbraw/zinc/55/08/27/573550827.db2.gz MHPZHGCAXSBRKJ-UTLUCORTSA-N 0 0 152.237 2.114 10 0 AEAERN CC1=C(C)[C@@H](O)[C@H](C)CC1 238437386 573551053 /nfs/dbraw/zinc/55/10/53/573551053.db2.gz PXRXWMKWTFHOOF-APPZFPTMSA-N 0 0 140.226 2.114 10 0 AEAERN CC(C)[C@H](C)c1cnc([C@@H](C)N)o1 83554614 573550888 /nfs/dbraw/zinc/55/08/88/573550888.db2.gz BNGKBFPIKPAXIU-JGVFFNPUSA-N 0 0 182.267 2.454 10 0 AEAERN C[C@@]12CCC[C@@H]([C@@H]1F)[C@](C)(C(N)=O)C2 238437426 573550906 /nfs/dbraw/zinc/55/09/06/573550906.db2.gz ANIMCUAYEVKTFT-MPKXCIJOSA-N 0 0 199.269 2.026 10 0 AEAERN OC[C@@H]1CCn2c1cc1ccccc12 257825648 573550922 /nfs/dbraw/zinc/55/09/22/573550922.db2.gz HFVSDFDKKPISME-JTQLQIEISA-N 0 0 187.242 2.121 10 0 AEAERN C[C@H]1C(=O)C[C@H]2CC=CC[C@H]21 238437269 573550960 /nfs/dbraw/zinc/55/09/60/573550960.db2.gz APIMNJBUDLPYSZ-HLTSFMKQSA-N 0 0 150.221 2.178 10 0 AEAERN CCOC(=O)c1onc(C)c1C1CC1 259503046 573550964 /nfs/dbraw/zinc/55/09/64/573550964.db2.gz VCMDXMIOPIBARG-UHFFFAOYSA-N 0 0 195.218 2.037 10 0 AEAERN CCCCCNc1nccnc1OC 308627978 573550966 /nfs/dbraw/zinc/55/09/66/573550966.db2.gz XOTVHKIORQOLRA-UHFFFAOYSA-N 0 0 195.266 2.087 10 0 AEAERN COC1(c2ccc([C@H](C)O)cc2)CC1 259501775 573551010 /nfs/dbraw/zinc/55/10/10/573551010.db2.gz RAIDOJLYMVYNCH-VIFPVBQESA-N 0 0 192.258 2.375 10 0 AEAERN CCCN(C(N)=O)c1cccc(C)c1 33649046 573551017 /nfs/dbraw/zinc/55/10/17/573551017.db2.gz FCWZAXIWMURHLU-UHFFFAOYSA-N 0 0 192.262 2.290 10 0 AEAERN CC1=C(C)[C@H](O)[C@H](C)CC1 238437364 573551020 /nfs/dbraw/zinc/55/10/20/573551020.db2.gz PXRXWMKWTFHOOF-VXNVDRBHSA-N 0 0 140.226 2.114 10 0 AEAERN C[C@H](CO)[C@H](F)c1ccccc1 238436983 573551025 /nfs/dbraw/zinc/55/10/25/573551025.db2.gz OUZYOLCEBXGCBV-SCZZXKLOSA-N 0 0 168.211 2.326 10 0 AEAERN CCC(C)(C)c1cnc(CNC)o1 83555276 573551028 /nfs/dbraw/zinc/55/10/28/573551028.db2.gz XTJIUUPESUIMQM-UHFFFAOYSA-N 0 0 182.267 2.082 10 0 AEAERN OC[C@H]1CCn2c1cc1ccccc12 257825649 573551030 /nfs/dbraw/zinc/55/10/30/573551030.db2.gz HFVSDFDKKPISME-SNVBAGLBSA-N 0 0 187.242 2.121 10 0 AEAERN COC1(c2ccc([C@@H](C)O)cc2)CC1 259501773 573551069 /nfs/dbraw/zinc/55/10/69/573551069.db2.gz RAIDOJLYMVYNCH-SECBINFHSA-N 0 0 192.258 2.375 10 0 AEAERN O=c1nncc(C2CCCCCC2)[nH]1 257826220 573551088 /nfs/dbraw/zinc/55/10/88/573551088.db2.gz HLQNQZQJILVTBX-UHFFFAOYSA-N 0 0 193.250 2.015 10 0 AEAERN C[C@H](N)c1ncc(C2CCCC2)o1 83554564 573551129 /nfs/dbraw/zinc/55/11/29/573551129.db2.gz JYIZZAPARVWRMR-ZETCQYMHSA-N 0 0 180.251 2.352 10 0 AEAERN CC[C@@H](C)[C@H](O)Cc1ccoc1 130362483 573551183 /nfs/dbraw/zinc/55/11/83/573551183.db2.gz MPRPVVRNJMRDIG-PSASIEDQSA-N 0 0 168.236 2.229 10 0 AEAERN Cc1ccc(N)c(C[C@@H]2CCCO2)c1 257825810 573551185 /nfs/dbraw/zinc/55/11/85/573551185.db2.gz HITKIIYYCJWDQH-NSHDSACASA-N 0 0 191.274 2.299 10 0 AEAERN Nc1ccc([C@H](F)[C@H]2CCOC2)cc1 258062992 573551214 /nfs/dbraw/zinc/55/12/14/573551214.db2.gz KVSOPPAZFZQGAP-ONGXEEELSA-N 0 0 195.237 2.316 10 0 AEAERN COC/C(=C\c1ccccc1)CCO 308629561 573551338 /nfs/dbraw/zinc/55/13/38/573551338.db2.gz SCIWVYPDIRFKPD-XFXZXTDPSA-N 0 0 192.258 2.099 10 0 AEAERN Cc1ccoc1-c1cnc([C@H](C)N)o1 83554535 573551351 /nfs/dbraw/zinc/55/13/51/573551351.db2.gz KLNLVGWNZGDEDG-ZETCQYMHSA-N 0 0 192.218 2.263 10 0 AEAERN CCC[C@H](O)c1ccc(C)cc1N 257825961 573551394 /nfs/dbraw/zinc/55/13/94/573551394.db2.gz HGTQKLHESOBMHZ-NSHDSACASA-N 0 0 179.263 2.411 10 0 AEAERN C[C@H]1C(=O)C[C@@H]2CC=CC[C@H]21 238437303 573551395 /nfs/dbraw/zinc/55/13/95/573551395.db2.gz APIMNJBUDLPYSZ-VGMNWLOBSA-N 0 0 150.221 2.178 10 0 AEAERN CNc1nc(-c2cccc(C)c2)c[nH]1 259120398 573551484 /nfs/dbraw/zinc/55/14/84/573551484.db2.gz PVKSUUNUYWNXGZ-UHFFFAOYSA-N 0 0 187.246 2.427 10 0 AEAERN C[C@H](CO)[C@H](C)Nc1ccccc1 238436828 573551499 /nfs/dbraw/zinc/55/14/99/573551499.db2.gz APOIXJNDEHSJLE-ZJUUUORDSA-N 0 0 179.263 2.115 10 0 AEAERN C=CC1=C(C)[C@@H](O)[C@H](C)CC1 238437805 573551716 /nfs/dbraw/zinc/55/17/16/573551716.db2.gz UGHNBEWLCRANOF-XCBNKYQSSA-N 0 0 152.237 2.280 10 0 AEAERN OCC[C@H]1Cc2ccc(Cl)cc2C1 257826202 573551558 /nfs/dbraw/zinc/55/15/58/573551558.db2.gz HKZNCVCBHAXSGN-QMMMGPOBSA-N 0 0 196.677 2.437 10 0 AEAERN CN[C@@H](C)C(F)(F)Cc1ccccc1 257825689 573551570 /nfs/dbraw/zinc/55/15/70/573551570.db2.gz FOWYQLYPPUCHHW-VIFPVBQESA-N 0 0 199.244 2.472 10 0 AEAERN CC1(C)C=C[C@@H](O)C(C)(C)C1 223135350 573551589 /nfs/dbraw/zinc/55/15/89/573551589.db2.gz NDDXRPCKEDKTDY-MRVPVSSYSA-N 0 0 154.253 2.360 10 0 AEAERN CC[C@@H](C)c1cnc([C@H](C)N)o1 83554652 573551629 /nfs/dbraw/zinc/55/16/29/573551629.db2.gz IOEBMCILOBQXGU-RQJHMYQMSA-N 0 0 168.240 2.208 10 0 AEAERN C[C@H](c1ccccc1)[C@H]1[NH2+]CCCO1 238437161 573551634 /nfs/dbraw/zinc/55/16/34/573551634.db2.gz LGVNIXNMKVVHJG-PWSUYJOCSA-N 0 0 191.274 2.126 10 0 AEAERN Cc1cccc(C)c1[C@H]1COC(=O)N1 95686455 573551791 /nfs/dbraw/zinc/55/17/91/573551791.db2.gz PWNSBEKGVKAWGY-SECBINFHSA-N 0 0 191.230 2.084 10 0 AEAERN CN(C)c1ccc(CC2CC2)c(O)c1 95712005 573552287 /nfs/dbraw/zinc/55/22/87/573552287.db2.gz LPIXRZWCBQABIF-UHFFFAOYSA-N 0 0 191.274 2.411 10 0 AEAERN OCCCc1csc(C2CCC2)n1 259122630 573551818 /nfs/dbraw/zinc/55/18/18/573551818.db2.gz BZJLRAHOYSCUSP-UHFFFAOYSA-N 0 0 197.303 2.336 10 0 AEAERN OCC[C@H]1CCCc2ccc(O)cc21 257826270 573551842 /nfs/dbraw/zinc/55/18/42/573551842.db2.gz HNFFLMHWGKUFGQ-SNVBAGLBSA-N 0 0 192.258 2.195 10 0 AEAERN CCC[C@H](OCC)c1nccc(F)n1 689971079 573551881 /nfs/dbraw/zinc/55/18/81/573551881.db2.gz NZDJQCKKORVTDD-QMMMGPOBSA-N 0 0 198.241 2.493 10 0 AEAERN C=C=C(C)[C@@H](O)CC(C)C 223136138 573551896 /nfs/dbraw/zinc/55/18/96/573551896.db2.gz VYZCAKGRRQOZJS-VIFPVBQESA-N 0 0 140.226 2.125 10 0 AEAERN Cc1ccc(-c2cnc([C@@H](C)N)o2)o1 83554685 573552023 /nfs/dbraw/zinc/55/20/23/573552023.db2.gz QLSCEFVTZGBEPF-SSDOTTSWSA-N 0 0 192.218 2.263 10 0 AEAERN CCc1cccc(CC)c1NCO 258771095 573552076 /nfs/dbraw/zinc/55/20/76/573552076.db2.gz YSJNNRJYVNRDCH-UHFFFAOYSA-N 0 0 179.263 2.173 10 0 AEAERN [NH3+][C@H](C[C@@H]1Cc2ccccc21)C(F)F 236316807 573552081 /nfs/dbraw/zinc/55/20/81/573552081.db2.gz KIWMLFMSAKVZLZ-WCBMZHEXSA-N 0 0 197.228 2.309 10 0 AEAERN CC[C@H](NO)c1cccs1 95697766 573552102 /nfs/dbraw/zinc/55/21/02/573552102.db2.gz VWFGVXJNPRDUKS-LURJTMIESA-N 0 0 157.238 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/nfs/dbraw/zinc/55/46/30/573554630.db2.gz KTLVJXBIGPECHI-JTQLQIEISA-N 0 0 186.295 2.354 10 0 AEAERN CCc1nc2scc(CC)n2c1N 75395799 573552602 /nfs/dbraw/zinc/55/26/02/573552602.db2.gz HNKAJSZIZIHFCI-UHFFFAOYSA-N 0 0 195.291 2.103 10 0 AEAERN CC(C)C1(C2CCC(=O)CC2)COC1 258771039 573552709 /nfs/dbraw/zinc/55/27/09/573552709.db2.gz TVXVITMNOOIZCE-UHFFFAOYSA-N 0 0 196.290 2.418 10 0 AEAERN CC[C@]1(C[C@@]2(C)C[C@@H]2C)CCC(=O)N1 714714742 573552724 /nfs/dbraw/zinc/55/27/24/573552724.db2.gz BZCSPXAYXJFZPV-MVWJERBFSA-N 0 0 195.306 2.481 10 0 AEAERN CC[C@H](C)c1cnc([C@H](C)N)o1 83554653 573552725 /nfs/dbraw/zinc/55/27/25/573552725.db2.gz IOEBMCILOBQXGU-BQBZGAKWSA-N 0 0 168.240 2.208 10 0 AEAERN CC[C@H](CO)c1nc(C)c(C)s1 259502176 573552760 /nfs/dbraw/zinc/55/27/60/573552760.db2.gz OBOAVSHBQILJOB-MRVPVSSYSA-N 0 0 185.292 2.246 10 0 AEAERN CC[C@@H](C)c1cnc([C@@H](C)N)o1 83554650 573552764 /nfs/dbraw/zinc/55/27/64/573552764.db2.gz IOEBMCILOBQXGU-RNFRBKRXSA-N 0 0 168.240 2.208 10 0 AEAERN O=C1CCC=C(C2CC2)CC1 223131270 573552822 /nfs/dbraw/zinc/55/28/22/573552822.db2.gz RKSTVGCRBZJGCX-UHFFFAOYSA-N 0 0 150.221 2.466 10 0 AEAERN Nc1cc2c(cc1F)SCC2 75397120 573552851 /nfs/dbraw/zinc/55/28/51/573552851.db2.gz MQXAGLKIVLYJIH-UHFFFAOYSA-N 0 0 169.224 2.056 10 0 AEAERN CCc1cc2scc(C)n2c1N 75395893 573552898 /nfs/dbraw/zinc/55/28/98/573552898.db2.gz CBYYARQQBPPLCL-UHFFFAOYSA-N 0 0 180.276 2.454 10 0 AEAERN COC(=O)N(C)c1ccc(F)c(C)c1 258775368 573552926 /nfs/dbraw/zinc/55/29/26/573552926.db2.gz MOIKCRBMAPADGH-UHFFFAOYSA-N 0 0 197.209 2.337 10 0 AEAERN COC1(c2cc(C)ccc2C)COC1 258774116 573552977 /nfs/dbraw/zinc/55/29/77/573552977.db2.gz UBFCJWCRCCMFBL-UHFFFAOYSA-N 0 0 192.258 2.175 10 0 AEAERN COc1cc2occc2cc1N 75396854 573553012 /nfs/dbraw/zinc/55/30/12/573553012.db2.gz UQUCBSFBTWTQCN-UHFFFAOYSA-N 0 0 163.176 2.024 10 0 AEAERN COc1c(O)cnc(C)c1C(F)F 238438302 573553072 /nfs/dbraw/zinc/55/30/72/573553072.db2.gz JRKIAFSSYXVMIQ-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN CCc1nc2sc(C)c(C)n2c1N 75395798 573553080 /nfs/dbraw/zinc/55/30/80/573553080.db2.gz QTNNBNRLQHXSBG-UHFFFAOYSA-N 0 0 195.291 2.157 10 0 AEAERN CCC[C@@H](OCC)c1nccc(F)n1 689971075 573553132 /nfs/dbraw/zinc/55/31/32/573553132.db2.gz NZDJQCKKORVTDD-MRVPVSSYSA-N 0 0 198.241 2.493 10 0 AEAERN CCOc1ccccc1C/C=C\CO 308629454 573553134 /nfs/dbraw/zinc/55/31/34/573553134.db2.gz RSWPQCBCHYSRDB-WAYWQWQTSA-N 0 0 192.258 2.176 10 0 AEAERN COc1c(N)cc2ccoc2c1OC 75396874 573553143 /nfs/dbraw/zinc/55/31/43/573553143.db2.gz AHTMFPDAQBGRER-UHFFFAOYSA-N 0 0 193.202 2.032 10 0 AEAERN CCCn1ccc(C[NH2+][C@H](C)CF)c1 308629259 573553194 /nfs/dbraw/zinc/55/31/94/573553194.db2.gz YHHASHZFYQYIIH-SNVBAGLBSA-N 0 0 198.285 2.346 10 0 AEAERN Clc1nc(-c2ccco2)c[nH]1 258406865 573553210 /nfs/dbraw/zinc/55/32/10/573553210.db2.gz BUAJRNMEMMGQIR-UHFFFAOYSA-N 0 0 168.583 2.323 10 0 AEAERN CCC[C@](C)([NH2+][C@@H]1CC[C@H]1C)C(=O)[O-] 308619699 573554442 /nfs/dbraw/zinc/55/44/42/573554442.db2.gz SPPNOJIJVOUGLC-KKZNHRDASA-N 0 0 199.294 2.018 10 0 AEAERN Cc1sc(=O)[nH]c1C(F)(F)F 257830157 573553454 /nfs/dbraw/zinc/55/34/54/573553454.db2.gz JCIKHEMBTARIOU-UHFFFAOYSA-N 0 0 183.154 2.176 10 0 AEAERN Nc1c(F)cc(F)c2occc12 75396864 573554123 /nfs/dbraw/zinc/55/41/23/573554123.db2.gz MVLFMANGJWXTEQ-UHFFFAOYSA-N 0 0 169.130 2.293 10 0 AEAERN CC(C)c1ccc(N)c2c1OCC2 75396892 573553573 /nfs/dbraw/zinc/55/35/73/573553573.db2.gz WRWJGBJJGRTXMH-UHFFFAOYSA-N 0 0 177.247 2.327 10 0 AEAERN CC1(C)C=CCCCC1=O 197043814 573553604 /nfs/dbraw/zinc/55/36/04/573553604.db2.gz HSYQYFRCJJUXGR-UHFFFAOYSA-N 0 0 138.210 2.322 10 0 AEAERN CC(C)C1CN(c2ccccc2N)C1 86662886 573553617 /nfs/dbraw/zinc/55/36/17/573553617.db2.gz DFAMTQSUQVPSOH-UHFFFAOYSA-N 0 0 190.290 2.361 10 0 AEAERN CCC1CN(c2ccccc2N)C1 86662879 573553624 /nfs/dbraw/zinc/55/36/24/573553624.db2.gz BXBQQCXDEAYPPO-UHFFFAOYSA-N 0 0 176.263 2.115 10 0 AEAERN Cc1cccc2c1[C@@H](C)C(=O)N2 238436835 573553627 /nfs/dbraw/zinc/55/36/27/573553627.db2.gz OLCOQRKXFDWCIY-SSDOTTSWSA-N 0 0 161.204 2.051 10 0 AEAERN CC[C@@H]1OC(=O)N[C@@H]1c1ccccc1 197045977 573553663 /nfs/dbraw/zinc/55/36/63/573553663.db2.gz KVPKEKZTQDLOJA-VHSXEESVSA-N 0 0 191.230 2.246 10 0 AEAERN CC(C)Cc1onc(Cl)c1N 257830141 573553676 /nfs/dbraw/zinc/55/36/76/573553676.db2.gz JCABGFRKUFJTAZ-UHFFFAOYSA-N 0 0 174.631 2.109 10 0 AEAERN CC(C)Nc1cc(N)ccc1F 86662902 573553678 /nfs/dbraw/zinc/55/36/78/573553678.db2.gz OSVPZRLBRRGYBV-UHFFFAOYSA-N 0 0 168.215 2.228 10 0 AEAERN CC1(C)C=C[C@H](O)C(C)(C)C1 223135403 573553690 /nfs/dbraw/zinc/55/36/90/573553690.db2.gz NDDXRPCKEDKTDY-QMMMGPOBSA-N 0 0 154.253 2.360 10 0 AEAERN CC[C@@H](O)c1ccccc1/C=C\CO 308627925 573553694 /nfs/dbraw/zinc/55/36/94/573553694.db2.gz PQFOIFAWUIGFRJ-SMYYYNMVSA-N 0 0 192.258 2.136 10 0 AEAERN Oc1cccc(N2CCC(F)(F)C2)c1 258062936 573553702 /nfs/dbraw/zinc/55/37/02/573553702.db2.gz KVPDVMMULPCFHO-UHFFFAOYSA-N 0 0 199.200 2.238 10 0 AEAERN [NH3+][C@H](C[C@H]1Cc2ccccc21)C(F)F 236320102 573553733 /nfs/dbraw/zinc/55/37/33/573553733.db2.gz 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/nfs/dbraw/zinc/55/37/99/573553799.db2.gz BZCSPXAYXJFZPV-YUSALJHKSA-N 0 0 195.306 2.481 10 0 AEAERN C=CC1=C(C)[C@H](O)[C@H](C)CC1 238437788 573553818 /nfs/dbraw/zinc/55/38/18/573553818.db2.gz UGHNBEWLCRANOF-GMSGAONNSA-N 0 0 152.237 2.280 10 0 AEAERN Cc1ccc(-c2nc(N)cs2)o1 259120158 573553826 /nfs/dbraw/zinc/55/38/26/573553826.db2.gz DFMDEKZZXMUBMR-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN Cc1occc1-c1cnc([C@@H](C)N)o1 83554619 573553831 /nfs/dbraw/zinc/55/38/31/573553831.db2.gz QZZAUCWPBZERSQ-ZCFIWIBFSA-N 0 0 192.218 2.263 10 0 AEAERN CC(=O)[C@H](/C=C\[C@@H](C)O)CC=C(C)C 308627856 573553848 /nfs/dbraw/zinc/55/38/48/573553848.db2.gz PIDCTAKKESWKRY-BRARBMGZSA-N 0 0 196.290 2.485 10 0 AEAERN Nc1c(F)ccc2occc12 75396860 573553915 /nfs/dbraw/zinc/55/39/15/573553915.db2.gz AEIYSYCGXBABAD-UHFFFAOYSA-N 0 0 151.140 2.154 10 0 AEAERN OC[C@H]1CC[C@H]1c1ccccc1F 257830260 573554583 /nfs/dbraw/zinc/55/45/83/573554583.db2.gz JEQCZNYLDBCJIT-RKDXNWHRSA-N 0 0 180.222 2.312 10 0 AEAERN CC[C@@H](C)[C@H](O)Cc1ccco1 130363320 573554054 /nfs/dbraw/zinc/55/40/54/573554054.db2.gz IWYUHXLQNNLKEP-PSASIEDQSA-N 0 0 168.236 2.229 10 0 AEAERN Cc1ccoc1-c1cnc([C@@H](C)N)o1 83554534 573554122 /nfs/dbraw/zinc/55/41/22/573554122.db2.gz KLNLVGWNZGDEDG-SSDOTTSWSA-N 0 0 192.218 2.263 10 0 AEAERN CC(C)[C@H](C)c1cnc([C@H](C)N)o1 83554616 573554160 /nfs/dbraw/zinc/55/41/60/573554160.db2.gz BNGKBFPIKPAXIU-YUMQZZPRSA-N 0 0 182.267 2.454 10 0 AEAERN CC[C@H](O)c1ncc(Cl)s1 223149420 573554196 /nfs/dbraw/zinc/55/41/96/573554196.db2.gz KXGZYYWNZAQFFM-BYPYZUCNSA-N 0 0 177.656 2.240 10 0 AEAERN CC[C@H](C)c1cnc([C@@H](C)N)o1 83554651 573554232 /nfs/dbraw/zinc/55/42/32/573554232.db2.gz IOEBMCILOBQXGU-NKWVEPMBSA-N 0 0 168.240 2.208 10 0 AEAERN C[C@@H](N)c1ncc(-c2ccsc2)o1 83554721 573554336 /nfs/dbraw/zinc/55/43/36/573554336.db2.gz ZWMBARYGWXBMQX-ZCFIWIBFSA-N 0 0 194.259 2.423 10 0 AEAERN [NH3+][C@H](C1=CCCCCC1)c1ncc[nH]1 236314990 573554357 /nfs/dbraw/zinc/55/43/57/573554357.db2.gz GZPQTVLENADOEJ-SNVBAGLBSA-N 0 0 191.278 2.300 10 0 AEAERN CC[C@H](C)[C@H](O)Cc1ccco1 130363553 573554369 /nfs/dbraw/zinc/55/43/69/573554369.db2.gz IWYUHXLQNNLKEP-WCBMZHEXSA-N 0 0 168.236 2.229 10 0 AEAERN CC(C)[C@@H](C)c1cnc([C@@H](C)N)o1 83554613 573554374 /nfs/dbraw/zinc/55/43/74/573554374.db2.gz BNGKBFPIKPAXIU-HTQZYQBOSA-N 0 0 182.267 2.454 10 0 AEAERN Cc1ccc(-c2cnc([C@H](C)N)o2)o1 83554686 573554404 /nfs/dbraw/zinc/55/44/04/573554404.db2.gz QLSCEFVTZGBEPF-ZETCQYMHSA-N 0 0 192.218 2.263 10 0 AEAERN C[C@H](N)c1ncc(CC2CCCC2)o1 83554724 573554415 /nfs/dbraw/zinc/55/44/15/573554415.db2.gz MCTUMXULAHQRIQ-QMMMGPOBSA-N 0 0 194.278 2.427 10 0 AEAERN COc1c(CCO)cccc1[C@@H](C)F 258061548 573554462 /nfs/dbraw/zinc/55/44/62/573554462.db2.gz HMCXZWFRLKXBSS-MRVPVSSYSA-N 0 0 198.237 2.261 10 0 AEAERN CC(=O)c1onc2cc(F)ccc12 257826453 573554472 /nfs/dbraw/zinc/55/44/72/573554472.db2.gz HMPIYUHDOZLJHL-UHFFFAOYSA-N 0 0 179.150 2.170 10 0 AEAERN C[C@@H](N)c1ncc(CC2CCCC2)o1 83554725 573554509 /nfs/dbraw/zinc/55/45/09/573554509.db2.gz MCTUMXULAHQRIQ-MRVPVSSYSA-N 0 0 194.278 2.427 10 0 AEAERN C[C@@H](N)c1ncc(CC(C)(C)C)o1 83554684 573555619 /nfs/dbraw/zinc/55/56/19/573555619.db2.gz DLIWGNSLRINJCX-SSDOTTSWSA-N 0 0 182.267 2.283 10 0 AEAERN C[C@]12C[C@H]1C(=O)Cc1ccccc12 238439211 573555487 /nfs/dbraw/zinc/55/54/87/573555487.db2.gz RQIHORQJDKPAJT-CMPLNLGQSA-N 0 0 172.227 2.089 10 0 AEAERN CC[C@H]1OC(=O)N[C@H]1c1ccccc1 197045949 573555489 /nfs/dbraw/zinc/55/54/89/573555489.db2.gz KVPKEKZTQDLOJA-ZJUUUORDSA-N 0 0 191.230 2.246 10 0 AEAERN CCC1CN(c2cc(N)ccc2F)C1 86662893 573555527 /nfs/dbraw/zinc/55/55/27/573555527.db2.gz DHBRNOLYGCIIKB-UHFFFAOYSA-N 0 0 194.253 2.254 10 0 AEAERN CC[P@](=O)(OC(C)C)[C@H](C)O 197047069 573555529 /nfs/dbraw/zinc/55/55/29/573555529.db2.gz OGZHIPLYFOKZEQ-HQJQHLMTSA-N 0 0 180.184 2.048 10 0 AEAERN C[C@@H]1CC[C@@H](C)C(C)(C)[C@@H]1C(N)=O 238438474 573555536 /nfs/dbraw/zinc/55/55/36/573555536.db2.gz LGFXMLYHZQCREL-HLTSFMKQSA-N 0 0 183.295 2.180 10 0 AEAERN OC[C@@H]1CC[C@@H]1c1ccccc1F 257830259 573555595 /nfs/dbraw/zinc/55/55/95/573555595.db2.gz JEQCZNYLDBCJIT-IUCAKERBSA-N 0 0 180.222 2.312 10 0 AEAERN COC(=O)[C@H](C)c1ccc(Cl)o1 257830186 573555579 /nfs/dbraw/zinc/55/55/79/573555579.db2.gz IYFHOZPGJRXXRV-RXMQYKEDSA-N 0 0 188.610 2.210 10 0 AEAERN Cc1occc1-c1cnc([C@H](C)N)o1 83554620 573555581 /nfs/dbraw/zinc/55/55/81/573555581.db2.gz QZZAUCWPBZERSQ-LURJTMIESA-N 0 0 192.218 2.263 10 0 AEAERN O=Cc1ccc(F)c(-n2cccc2)c1 257830116 573556501 /nfs/dbraw/zinc/55/65/01/573556501.db2.gz IWLFBPKKYBJGNB-UHFFFAOYSA-N 0 0 189.189 2.429 10 0 AEAERN Cc1cc(Cl)c(N)c2c1OCC2 75396897 573556851 /nfs/dbraw/zinc/55/68/51/573556851.db2.gz JRLXJIGQGKLZAP-UHFFFAOYSA-N 0 0 183.638 2.166 10 0 AEAERN C[C@H]1C[C@@]1(O)c1ccoc1Cl 235619137 573564491 /nfs/dbraw/zinc/56/44/91/573564491.db2.gz QKZXKFJZXUYLMY-XNCJUZBTSA-N 0 0 172.611 2.160 10 0 AEAERN CC[C@H](C)N(C(=O)NC)[C@@H](C)CC 238266874 573556879 /nfs/dbraw/zinc/55/68/79/573556879.db2.gz SAZYKALVAXLDKX-IUCAKERBSA-N 0 0 186.299 2.225 10 0 AEAERN Cc1cccc(NC2=NC[C@H](C)O2)c1 238438395 573556511 /nfs/dbraw/zinc/55/65/11/573556511.db2.gz ISZIGVJTJWBWOL-VIFPVBQESA-N 0 0 190.246 2.182 10 0 AEAERN C[C@H](O)C1=CC[C@H](C)CC1 238439047 573556536 /nfs/dbraw/zinc/55/65/36/573556536.db2.gz QYOOXKWLLOAUFK-YUMQZZPRSA-N 0 0 140.226 2.114 10 0 AEAERN C[C@H]1CCCC[C@H]1n1cc(C=O)cn1 238438504 573556553 /nfs/dbraw/zinc/55/65/53/573556553.db2.gz DRSUOBDKUKZSQE-GXSJLCMTSA-N 0 0 192.262 2.447 10 0 AEAERN Cc1ccc2occc2c1N 75396858 573556578 /nfs/dbraw/zinc/55/65/78/573556578.db2.gz CETJGLGQRKVXSZ-UHFFFAOYSA-N 0 0 147.177 2.323 10 0 AEAERN CC[P@](=O)(OC(C)C)[C@@H](C)O 197047047 573556617 /nfs/dbraw/zinc/55/66/17/573556617.db2.gz OGZHIPLYFOKZEQ-CPCISQLKSA-N 0 0 180.184 2.048 10 0 AEAERN C[C@H]1CNC(=O)C2(CCCCC2)C1 238439081 573556641 /nfs/dbraw/zinc/55/66/41/573556641.db2.gz WJCPYLLBPFZMBT-SECBINFHSA-N 0 0 181.279 2.093 10 0 AEAERN CC[C@@H](NO)c1cccs1 95697711 573556646 /nfs/dbraw/zinc/55/66/46/573556646.db2.gz VWFGVXJNPRDUKS-ZCFIWIBFSA-N 0 0 157.238 2.178 10 0 AEAERN CC/C=C(/SC)N(C)C 223151979 573556672 /nfs/dbraw/zinc/55/66/72/573556672.db2.gz IYKHNMZGBOQNFP-VOTSOKGWSA-N 0 0 145.271 2.162 10 0 AEAERN C[C@H](CO)c1ccnc2ccccc12 238438915 573556703 /nfs/dbraw/zinc/55/67/03/573556703.db2.gz TVWRWGMDRAILKR-SECBINFHSA-N 0 0 187.242 2.331 10 0 AEAERN CC(=O)c1cccc2c1N[C@H](C)C2 258059624 573556722 /nfs/dbraw/zinc/55/67/22/573556722.db2.gz LSBCVYABXWKTGK-SSDOTTSWSA-N 0 0 175.231 2.246 10 0 AEAERN Cc1cnc2[nH]c3ccccc3c2n1 223139792 573556727 /nfs/dbraw/zinc/55/67/27/573556727.db2.gz WMJNXYDKJODOKH-UHFFFAOYSA-N 0 0 183.214 2.420 10 0 AEAERN CCC[C@@H]1C(CO)[C@H]1CCC 238264704 573556762 /nfs/dbraw/zinc/55/67/62/573556762.db2.gz USTNAJVOBFTBJP-IUCAKERBSA-N 0 0 156.269 2.441 10 0 AEAERN C[C@H]1CCN1c1ccc(F)c(N)c1 86678466 573558302 /nfs/dbraw/zinc/55/83/02/573558302.db2.gz QASINXUQPMCIPP-ZETCQYMHSA-N 0 0 180.226 2.007 10 0 AEAERN Cc1nn2cc(-c3ccccc3)nc2[nH]1 215271219 573557321 /nfs/dbraw/zinc/55/73/21/573557321.db2.gz RYUBXSRWYNBJHJ-UHFFFAOYSA-N 0 0 198.229 2.033 10 0 AEAERN C[C@H](CO)c1ccc2ccccc2n1 238439058 573557323 /nfs/dbraw/zinc/55/73/23/573557323.db2.gz MOVAALQJUROLKY-SECBINFHSA-N 0 0 187.242 2.331 10 0 AEAERN Cc1c(C=O)cnc2c(F)cccc12 257830704 573557340 /nfs/dbraw/zinc/55/73/40/573557340.db2.gz JCYIOUFTAKJXSK-UHFFFAOYSA-N 0 0 189.189 2.495 10 0 AEAERN CN(C)c1cccc(Cl)c1O 95711978 573557347 /nfs/dbraw/zinc/55/73/47/573557347.db2.gz KWOQOZUSFGHDCD-UHFFFAOYSA-N 0 0 171.627 2.112 10 0 AEAERN O[C@H](c1ncc(Cl)s1)C(F)F 223144373 573557369 /nfs/dbraw/zinc/55/73/69/573557369.db2.gz ICTPUGWZPMAYBO-VKHMYHEASA-N 0 0 199.609 2.095 10 0 AEAERN C[C@@H](O)c1cc2cccc(O)c2o1 258063358 573557423 /nfs/dbraw/zinc/55/74/23/573557423.db2.gz GIVOAQMRJSMRDM-ZCFIWIBFSA-N 0 0 178.187 2.192 10 0 AEAERN C[C@@H]1[C@@H]2CCC[C@@]23CCC(=O)[C@@H]13 238438411 573557455 /nfs/dbraw/zinc/55/74/55/573557455.db2.gz FQFPXVODBPLDRW-JZSSXWJLSA-N 0 0 164.248 2.402 10 0 AEAERN CCc1cc(Cl)sn1 107397430 573557457 /nfs/dbraw/zinc/55/74/57/573557457.db2.gz OFUORYAWZDLGAI-UHFFFAOYSA-N 0 0 147.630 2.359 10 0 AEAERN Cc1cccc(C)c1[C@H](C)CO 238438432 573557564 /nfs/dbraw/zinc/55/75/64/573557564.db2.gz TYPBBAIPPBRVIV-SNVBAGLBSA-N 0 0 164.248 2.399 10 0 AEAERN CC(=O)Cc1ccc(C(C)(C)O)cc1 259505193 573557614 /nfs/dbraw/zinc/55/76/14/573557614.db2.gz RHZKKACHHZXFJR-UHFFFAOYSA-N 0 0 192.258 2.046 10 0 AEAERN CCC[C@](C)([NH2+][C@H]1CC[C@H]1C)C(=O)[O-] 308619705 573557621 /nfs/dbraw/zinc/55/76/21/573557621.db2.gz SPPNOJIJVOUGLC-YWVKMMECSA-N 0 0 199.294 2.018 10 0 AEAERN Cc1sc(C(F)(F)F)nc1N 75404472 573557579 /nfs/dbraw/zinc/55/75/79/573557579.db2.gz UUFKATOGPSGDIZ-UHFFFAOYSA-N 0 0 182.170 2.053 10 0 AEAERN CC(C)Nc1ccc(F)c(N)c1 86678475 573557632 /nfs/dbraw/zinc/55/76/32/573557632.db2.gz QQXSZGKOBJMXSQ-UHFFFAOYSA-N 0 0 168.215 2.228 10 0 AEAERN CC[C@H](C)Nc1cc(OC)ccc1N 86678511 573557691 /nfs/dbraw/zinc/55/76/91/573557691.db2.gz UBCSVVLQZDQZEZ-QMMMGPOBSA-N 0 0 194.278 2.488 10 0 AEAERN Cc1sc(-c2ccncc2)nc1N 75404603 573557834 /nfs/dbraw/zinc/55/78/34/573557834.db2.gz RVPUSXMTQQDMNG-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN CCO[C@H](C(=O)C(F)F)C(C)(C)C 686247021 573557835 /nfs/dbraw/zinc/55/78/35/573557835.db2.gz AZCQJIRYHXKMFS-SSDOTTSWSA-N 0 0 194.221 2.272 10 0 AEAERN C[C@H]1CCC[C@@H](C2=NC(=O)CN2C)C1 235618317 573557932 /nfs/dbraw/zinc/55/79/32/573557932.db2.gz IYNJKSWOIRRCLN-DTWKUNHWSA-N 0 0 194.278 2.419 10 0 AEAERN C[C@@H](F)COc1ccc2c(c1)NCC2 258061161 573557941 /nfs/dbraw/zinc/55/79/41/573557941.db2.gz PTCLDVVDCJVHLA-MRVPVSSYSA-N 0 0 195.237 2.391 10 0 AEAERN CCc1ccc(F)c(C2(O)CC2)c1 258060238 573557950 /nfs/dbraw/zinc/55/79/50/573557950.db2.gz SKRUSKMSAOONAT-UHFFFAOYSA-N 0 0 180.222 2.370 10 0 AEAERN CC(C)Cc1ccoc1C=O 75410360 573557954 /nfs/dbraw/zinc/55/79/54/573557954.db2.gz FVFIZQMCIUNSPY-UHFFFAOYSA-N 0 0 152.193 2.291 10 0 AEAERN C=C/C(=C/CO)[C@H](O)CCCCCC 308619825 573557969 /nfs/dbraw/zinc/55/79/69/573557969.db2.gz DGHCDDRYKTUZIR-UCQJPZFISA-N 0 0 198.306 2.422 10 0 AEAERN Cc1cc2c(o1)C(=O)CCC2 107397569 573557973 /nfs/dbraw/zinc/55/79/73/573557973.db2.gz UJIKZEGIRXCTGH-UHFFFAOYSA-N 0 0 150.177 2.107 10 0 AEAERN COCc1cn(C)c2ccc(F)cc12 258061451 573558007 /nfs/dbraw/zinc/55/80/07/573558007.db2.gz PBZLAQDLWGKUOE-UHFFFAOYSA-N 0 0 193.221 2.464 10 0 AEAERN Cc1nc(-c2cccnc2)sc1N 75404377 573558139 /nfs/dbraw/zinc/55/81/39/573558139.db2.gz RYZFJWGOPOMVLQ-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN C=C/C(=C/CO)[C@@H](O)CCCCCC 308619824 573558165 /nfs/dbraw/zinc/55/81/65/573558165.db2.gz DGHCDDRYKTUZIR-MMRAYRKESA-N 0 0 198.306 2.422 10 0 AEAERN Cc1nc(-c2ccccn2)sc1N 75404378 573558362 /nfs/dbraw/zinc/55/83/62/573558362.db2.gz KIHFZCYBELRTMG-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Nc1cc(Cl)cc(-c2ncc[nH]2)c1 83570782 573558386 /nfs/dbraw/zinc/55/83/86/573558386.db2.gz LMXXLKDRVWPZMP-UHFFFAOYSA-N 0 0 193.637 2.312 10 0 AEAERN CC(C)(C)Cc1ncc(N)s1 75404259 573558398 /nfs/dbraw/zinc/55/83/98/573558398.db2.gz LPIJUCLSWRKFAW-UHFFFAOYSA-N 0 0 170.281 2.314 10 0 AEAERN COc1cc(N)cc2ccc(O)cc12 257830282 573558441 /nfs/dbraw/zinc/55/84/41/573558441.db2.gz IZVIGKQLIXJMEH-UHFFFAOYSA-N 0 0 189.214 2.136 10 0 AEAERN CC(C)c1nc2cc(CO)ccc2o1 75411345 573558487 /nfs/dbraw/zinc/55/84/87/573558487.db2.gz HZZLUAGYURAPQS-UHFFFAOYSA-N 0 0 191.230 2.444 10 0 AEAERN Cc1cccc(Cl)c1NCCCO 78636777 573558533 /nfs/dbraw/zinc/55/85/33/573558533.db2.gz VEYGDWPKSFSGKR-UHFFFAOYSA-N 0 0 199.681 2.443 10 0 AEAERN O=Cc1occc1Cc1cccnc1 75410438 573558569 /nfs/dbraw/zinc/55/85/69/573558569.db2.gz PSCUUOOYNHVVGP-UHFFFAOYSA-N 0 0 187.198 2.078 10 0 AEAERN COc1cccc2c1[C@@H](CO)CCC2 197050945 573559459 /nfs/dbraw/zinc/55/94/59/573559459.db2.gz KHOCZNOKIOKRDE-SNVBAGLBSA-N 0 0 192.258 2.107 10 0 AEAERN C[C@H](O)c1cc2cccc(O)c2o1 258063355 573558661 /nfs/dbraw/zinc/55/86/61/573558661.db2.gz GIVOAQMRJSMRDM-LURJTMIESA-N 0 0 178.187 2.192 10 0 AEAERN CC(C)=Cc1cc(N)ccc1N 145189167 573558689 /nfs/dbraw/zinc/55/86/89/573558689.db2.gz OVXTUAUMTGXJKU-UHFFFAOYSA-N 0 0 162.236 2.274 10 0 AEAERN CC1(C)CN(c2ccc(F)c(N)c2)C1 86678488 573558701 /nfs/dbraw/zinc/55/87/01/573558701.db2.gz NLEMWMCZLYQFLG-UHFFFAOYSA-N 0 0 194.253 2.254 10 0 AEAERN CC(C)C1C(=O)C=NN1C(C)(C)C 257830594 573558702 /nfs/dbraw/zinc/55/87/02/573558702.db2.gz JIASUQUZFVDXLX-UHFFFAOYSA-N 0 0 182.267 2.467 10 0 AEAERN CCC[C@](C)([NH2+][C@H]1CC[C@@H]1C)C(=O)[O-] 308619703 573558735 /nfs/dbraw/zinc/55/87/35/573558735.db2.gz SPPNOJIJVOUGLC-QXEWZRGKSA-N 0 0 199.294 2.018 10 0 AEAERN Cn1ccc(C(=O)CC2CCCC2)n1 83572052 573558745 /nfs/dbraw/zinc/55/87/45/573558745.db2.gz OESVRSKLRPPMCU-UHFFFAOYSA-N 0 0 192.262 2.183 10 0 AEAERN COC[C@]1(C)Cc2cc(C)ccc2N1 258060477 573558769 /nfs/dbraw/zinc/55/87/69/573558769.db2.gz GFQFASMNQONBIV-LBPRGKRZSA-N 0 0 191.274 2.368 10 0 AEAERN CCCc1ccsc1CO 145142793 573558802 /nfs/dbraw/zinc/55/88/02/573558802.db2.gz NYCLDMZXGIBBNQ-UHFFFAOYSA-N 0 0 156.250 2.193 10 0 AEAERN OCc1ccc2oc(C3CC3)nc2c1 75411349 573558813 /nfs/dbraw/zinc/55/88/13/573558813.db2.gz LSEXMEBSWFSTEA-UHFFFAOYSA-N 0 0 189.214 2.198 10 0 AEAERN C[C@H](F)COc1ccc2c(c1)NCC2 258061163 573558935 /nfs/dbraw/zinc/55/89/35/573558935.db2.gz PTCLDVVDCJVHLA-QMMMGPOBSA-N 0 0 195.237 2.391 10 0 AEAERN CC(C)c1[nH]c(C(F)(F)F)nc1N 75409402 573558936 /nfs/dbraw/zinc/55/89/36/573558936.db2.gz ZQMSGCRUPWUEFI-UHFFFAOYSA-N 0 0 193.172 2.134 10 0 AEAERN CC1(c2cnc(N)o2)CCSCC1 258060526 573558956 /nfs/dbraw/zinc/55/89/56/573558956.db2.gz KRCYKEOEJFTSEQ-UHFFFAOYSA-N 0 0 198.291 2.042 10 0 AEAERN C[C@H]1Cc2cccc([C@@H](C)O)c2O1 258061767 573559058 /nfs/dbraw/zinc/55/90/58/573559058.db2.gz LWPPMMZFLCCPCQ-JGVFFNPUSA-N 0 0 178.231 2.063 10 0 AEAERN CCC[C@@H](C)CC(=O)c1ccn(C)n1 83571991 573559125 /nfs/dbraw/zinc/55/91/25/573559125.db2.gz JEHWLNXXVLXFJS-SECBINFHSA-N 0 0 194.278 2.429 10 0 AEAERN CC(=O)c1cc(C(C)C)no1 75405227 573559155 /nfs/dbraw/zinc/55/91/55/573559155.db2.gz UHFSCBJQVGJXLD-UHFFFAOYSA-N 0 0 153.181 2.001 10 0 AEAERN C[C@@H]1Cc2cccc([C@@H](C)O)c2O1 258061766 573559221 /nfs/dbraw/zinc/55/92/21/573559221.db2.gz LWPPMMZFLCCPCQ-HTQZYQBOSA-N 0 0 178.231 2.063 10 0 AEAERN Cc1ccc(C)c(CNC(=O)S)c1 258774738 573559445 /nfs/dbraw/zinc/55/94/45/573559445.db2.gz XRCVRTFVPOIKSO-UHFFFAOYSA-N 0 0 195.287 2.443 10 0 AEAERN Cc1cc(Cl)nc(C)c1C=O 95763873 573559418 /nfs/dbraw/zinc/55/94/18/573559418.db2.gz XVOLLSARZWMDJV-UHFFFAOYSA-N 0 0 169.611 2.164 10 0 AEAERN CC/C(=C/C(C)C)[C@H](C)O 145176246 573559276 /nfs/dbraw/zinc/55/92/76/573559276.db2.gz UAHMFHGYIABZLT-HWPCKVLBSA-N 0 0 142.242 2.360 10 0 AEAERN COc1cc(N)cc2sc(C)nc12 75398065 573559347 /nfs/dbraw/zinc/55/93/47/573559347.db2.gz UTWZFTFPNFPOJW-UHFFFAOYSA-N 0 0 194.259 2.196 10 0 AEAERN CCOC(=O)c1n[nH]c(C(C)C)c1C 259508929 573561055 /nfs/dbraw/zinc/56/10/55/573561055.db2.gz VQTNSRJOMZXULI-UHFFFAOYSA-N 0 0 196.250 2.018 10 0 AEAERN COc1cccc2c1[C@H](CO)CCC2 197050934 573560792 /nfs/dbraw/zinc/56/07/92/573560792.db2.gz KHOCZNOKIOKRDE-JTQLQIEISA-N 0 0 192.258 2.107 10 0 AEAERN Cn1ccc([C@@H](O)CC2CCCC2)n1 83572123 573561011 /nfs/dbraw/zinc/56/10/11/573561011.db2.gz XNAKDSIKCYXJOR-NSHDSACASA-N 0 0 194.278 2.034 10 0 AEAERN CC1(C)CN(c2cc(F)ccc2N)C1 86678455 573561087 /nfs/dbraw/zinc/56/10/87/573561087.db2.gz OBWSUARJQXWGDV-UHFFFAOYSA-N 0 0 194.253 2.254 10 0 AEAERN Nc1cc(N2CC3(CC3)C2)ccc1F 86678482 573560757 /nfs/dbraw/zinc/56/07/57/573560757.db2.gz PVZCCZSQNJUFGW-UHFFFAOYSA-N 0 0 192.237 2.008 10 0 AEAERN CCc1ccc(CCON)cc1CC 258061945 573560778 /nfs/dbraw/zinc/56/07/78/573560778.db2.gz LOPSEMOFLSADCH-UHFFFAOYSA-N 0 0 193.290 2.244 10 0 AEAERN Oc1cccc2c(C3CC3)noc12 257830563 573560780 /nfs/dbraw/zinc/56/07/80/573560780.db2.gz JHFJGLSRNCSDNX-UHFFFAOYSA-N 0 0 175.187 2.411 10 0 AEAERN Cc1ccc(OC(C)C)c(CON)c1 258061788 573560817 /nfs/dbraw/zinc/56/08/17/573560817.db2.gz LJZBICYPEOZNAH-UHFFFAOYSA-N 0 0 195.262 2.173 10 0 AEAERN C[C@H]1C[C@@]1(O)C1Cc2ccccc2C1 235617525 573560826 /nfs/dbraw/zinc/56/08/26/573560826.db2.gz FXTRTGKGTUVDFS-ZANVPECISA-N 0 0 188.270 2.172 10 0 AEAERN CCc1nccc(OC2CC2)c1NC 95727146 573560835 /nfs/dbraw/zinc/56/08/35/573560835.db2.gz AJAJKHBDTORNSN-UHFFFAOYSA-N 0 0 192.262 2.227 10 0 AEAERN Cc1cc(Cl)nc2c1CC[C@H]2O 145195857 573560871 /nfs/dbraw/zinc/56/08/71/573560871.db2.gz HVRUTPMBYKOXBN-SSDOTTSWSA-N 0 0 183.638 2.023 10 0 AEAERN C[C@H]1CCC[C@@H](c2nc(O)c[nH]2)C1 235618287 573560945 /nfs/dbraw/zinc/56/09/45/573560945.db2.gz ACUXUYLIMYOJHQ-JGVFFNPUSA-N 0 0 180.251 2.409 10 0 AEAERN Cc1nc(C2CCCCC2)[nH]c1C[NH3+] 75407061 573561447 /nfs/dbraw/zinc/56/14/47/573561447.db2.gz PLKYGRIKPXAWGN-UHFFFAOYSA-N 0 0 193.294 2.225 10 0 AEAERN CCn1ccc2ccc(CCO)cc21 258062032 573561505 /nfs/dbraw/zinc/56/15/05/573561505.db2.gz IWPYVXPHQJMCEO-UHFFFAOYSA-N 0 0 189.258 2.196 10 0 AEAERN CCOC(=O)N[C@@]12C=C[C@@H]1CCCC2 145125785 573561509 /nfs/dbraw/zinc/56/15/09/573561509.db2.gz SKXPYBRBCWEEIA-ONGXEEELSA-N 0 0 195.262 2.231 10 0 AEAERN Cc1nc(N)c(-c2ccco2)s1 75404752 573561520 /nfs/dbraw/zinc/56/15/20/573561520.db2.gz UDLSLVYUPMQXMO-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN CC/C=C(C)/C=C(\C)[C@@H](O)[C@H](C)CO 308623318 573561576 /nfs/dbraw/zinc/56/15/76/573561576.db2.gz HSKGZGSPWMQVJE-DBKGIYAGSA-N 0 0 198.306 2.278 10 0 AEAERN Cc1cc(C)cc(O[C@@H]2CCOC2)c1 83577058 573561648 /nfs/dbraw/zinc/56/16/48/573561648.db2.gz XDROPIBQYOYGIA-LLVKDONJSA-N 0 0 192.258 2.471 10 0 AEAERN Cc1sc(-c2ccccn2)nc1N 75404596 573561633 /nfs/dbraw/zinc/56/16/33/573561633.db2.gz ITHVHPDNYFZSEJ-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Oc1ccccc1[C@@H]1C[C@@H]1F 259507419 573561887 /nfs/dbraw/zinc/56/18/87/573561887.db2.gz ZCXJYXCACCNUNU-YUMQZZPRSA-N 0 0 152.168 2.218 10 0 AEAERN CC(=O)NC1=Cc2ccccc2[C@H]1C 238439965 573561836 /nfs/dbraw/zinc/56/18/36/573561836.db2.gz SWBFRRMACVTPPJ-MRVPVSSYSA-N 0 0 187.242 2.281 10 0 AEAERN N[C@H](c1ccc(Cl)o1)C(F)F 95767975 573561976 /nfs/dbraw/zinc/56/19/76/573561976.db2.gz SPKNADQJXAMCMI-RXMQYKEDSA-N 0 0 181.569 2.198 10 0 AEAERN CC(C)(C)c1nc(C2CC2)[nH]c1C[NH3+] 75407097 573561977 /nfs/dbraw/zinc/56/19/77/573561977.db2.gz FTUKDBFOCPSNDG-UHFFFAOYSA-N 0 0 193.294 2.043 10 0 AEAERN COc1ccc(N)c(NC(C)C)c1 86678505 573562146 /nfs/dbraw/zinc/56/21/46/573562146.db2.gz OUIFENBPGBKRAW-UHFFFAOYSA-N 0 0 180.251 2.098 10 0 AEAERN CO/C(=C\c1ccccc1)C[C@@H](C)O 308622782 573562050 /nfs/dbraw/zinc/56/20/50/573562050.db2.gz GXDMTLRSVUGWHR-WJEYQPDNSA-N 0 0 192.258 2.445 10 0 AEAERN COc1ncc(C)c2cccc(N)c12 258062212 573562074 /nfs/dbraw/zinc/56/20/74/573562074.db2.gz HJGFYVKGMZJXDI-UHFFFAOYSA-N 0 0 188.230 2.134 10 0 AEAERN C/C(=C/c1coc(C(C)(C)C)n1)CO 308622121 573562086 /nfs/dbraw/zinc/56/20/86/573562086.db2.gz GNENNKXYZGWRCS-YVMONPNESA-N 0 0 195.262 2.368 10 0 AEAERN OCc1ccc(/C=C2/C=NCCC2)o1 308622864 573562095 /nfs/dbraw/zinc/56/20/95/573562095.db2.gz HKIPZBSQJPFABU-RMKNXTFCSA-N 0 0 191.230 2.020 10 0 AEAERN C[C@H]1CCCC[C@]12CCCNC2=O 238440325 573562171 /nfs/dbraw/zinc/56/21/71/573562171.db2.gz HKWPCHQOZACDDO-ONGXEEELSA-N 0 0 181.279 2.093 10 0 AEAERN C=C=C[C@@H](C)[C@H](C)C(C)=O 238439837 573562211 /nfs/dbraw/zinc/56/22/11/573562211.db2.gz WVAVTPUMWQZKHZ-SFYZADRCSA-N 0 0 138.210 2.189 10 0 AEAERN COc1c(C[C@H](C)O)ccc(F)c1C 258061948 573562282 /nfs/dbraw/zinc/56/22/82/573562282.db2.gz LOQJRPIBXJYDQU-ZETCQYMHSA-N 0 0 198.237 2.066 10 0 AEAERN COC1CCC(n2ccc(C)n2)CC1 686357798 573562328 /nfs/dbraw/zinc/56/23/28/573562328.db2.gz GNPZHEXANSBVDM-UHFFFAOYSA-N 0 0 194.278 2.322 10 0 AEAERN CCC[C@H](OC)[C@H]1CCCC1=O 238267870 573562339 /nfs/dbraw/zinc/56/23/39/573562339.db2.gz ZPDMFSUTMRGBOT-WPRPVWTQSA-N 0 0 170.252 2.171 10 0 AEAERN C[C@@H]1CCN1c1ccc2c(c1)CCN2 86678384 573562370 /nfs/dbraw/zinc/56/23/70/573562370.db2.gz ZTOXQASYAAQCEO-SECBINFHSA-N 0 0 188.274 2.253 10 0 AEAERN C[C@H]1Cc2ccc(CCCO)cc2C1 258061826 573562404 /nfs/dbraw/zinc/56/24/04/573562404.db2.gz LMAMHZKHTAKIAN-JTQLQIEISA-N 0 0 190.286 2.346 10 0 AEAERN CC/C=C(C)/C=C(/C)[C@@H](O)[C@H](C)CO 308623319 573562438 /nfs/dbraw/zinc/56/24/38/573562438.db2.gz HSKGZGSPWMQVJE-HBWOOKHRSA-N 0 0 198.306 2.278 10 0 AEAERN Cc1c(C=O)cncc1C(F)F 238439944 573562473 /nfs/dbraw/zinc/56/24/73/573562473.db2.gz ZJXIBWMIMOTDAF-UHFFFAOYSA-N 0 0 171.146 2.140 10 0 AEAERN CO/C=C/C=C\[C@H](O)[C@H]1CC=CCC1 308621351 573562475 /nfs/dbraw/zinc/56/24/75/573562475.db2.gz FPCHDMUSMXMFFP-RHXIURTISA-N 0 0 194.274 2.420 10 0 AEAERN S=c1nc(Cl)cc(Cl)[nH]1 145168753 573562490 /nfs/dbraw/zinc/56/24/90/573562490.db2.gz ZJKROVCHKSYXNS-UHFFFAOYSA-N 0 0 181.047 2.072 10 0 AEAERN CC(=O)c1coc([C@H]2CCCCO2)n1 258062614 573562508 /nfs/dbraw/zinc/56/25/08/573562508.db2.gz LKRRLWFVERYJMK-SECBINFHSA-N 0 0 195.218 2.119 10 0 AEAERN c1ccc(-c2cc3n(n2)CCC3)cc1 145161215 573562518 /nfs/dbraw/zinc/56/25/18/573562518.db2.gz UYSVIGRFBPJLEE-UHFFFAOYSA-N 0 0 184.242 2.496 10 0 AEAERN Cc1csc(C)c1N[C@H](C)CO 145187103 573562564 /nfs/dbraw/zinc/56/25/64/573562564.db2.gz AHLWGPPNYJJWOZ-SSDOTTSWSA-N 0 0 185.292 2.158 10 0 AEAERN C[C@@H]1C(=O)C[C@H]1Cc1ccccc1 238440082 573562592 /nfs/dbraw/zinc/56/25/92/573562592.db2.gz MFCREBNBPVCQQL-GXSJLCMTSA-N 0 0 174.243 2.454 10 0 AEAERN C/C=C\CN(CCO)c1ccccc1 308621436 573562769 /nfs/dbraw/zinc/56/27/69/573562769.db2.gz FUBALROVIJIWSA-IHWYPQMZSA-N 0 0 191.274 2.061 10 0 AEAERN CCC1CN(c2ccc(F)c(N)c2)C1 86678459 573562664 /nfs/dbraw/zinc/56/26/64/573562664.db2.gz VIZYHXIDJKJLTK-UHFFFAOYSA-N 0 0 194.253 2.254 10 0 AEAERN CNc1cc(NC)c(F)cc1C 145141327 573562795 /nfs/dbraw/zinc/56/27/95/573562795.db2.gz AUVVHLJAEOGYRV-UHFFFAOYSA-N 0 0 168.215 2.218 10 0 AEAERN Nc1ccc(F)cc1N1CC2(CC2)C1 86678451 573562710 /nfs/dbraw/zinc/56/27/10/573562710.db2.gz VVMUBNOGHWLRCP-UHFFFAOYSA-N 0 0 192.237 2.008 10 0 AEAERN CC(C)c1c2cc(O)ccc2nn1C 257831115 573562713 /nfs/dbraw/zinc/56/27/13/573562713.db2.gz JFAMKFZTLAUZFV-UHFFFAOYSA-N 0 0 190.246 2.402 10 0 AEAERN O=Cc1ccc2c(O)ccc(O)c2c1 145197819 573563026 /nfs/dbraw/zinc/56/30/26/573563026.db2.gz ZBNWVIKQUJCMBQ-UHFFFAOYSA-N 0 0 188.182 2.064 10 0 AEAERN Cn1ccc2cc(C3(O)CC3)ccc21 258061976 573563045 /nfs/dbraw/zinc/56/30/45/573563045.db2.gz LPSWOBFSHPHZCM-UHFFFAOYSA-N 0 0 187.242 2.160 10 0 AEAERN CCOc1cccc([C@@](C)(F)CO)c1 257831624 573564366 /nfs/dbraw/zinc/56/43/66/573564366.db2.gz KEQRMAWEKJYNJS-NSHDSACASA-N 0 0 198.237 2.262 10 0 AEAERN C[C@@H]1CCN1c1cc(F)ccc1N 86678439 573563060 /nfs/dbraw/zinc/56/30/60/573563060.db2.gz DYYFIPCTCHARBE-SSDOTTSWSA-N 0 0 180.226 2.007 10 0 AEAERN C[C@H](CO)[C@H]1Cc2ccc(F)cc2C1 257831193 573563093 /nfs/dbraw/zinc/56/30/93/573563093.db2.gz JGJYICMOVXHBSK-SCZZXKLOSA-N 0 0 194.249 2.169 10 0 AEAERN CCOC(=O)c1cocc1Cl 259614234 573563099 /nfs/dbraw/zinc/56/30/99/573563099.db2.gz FHIMDUKBWFQSAT-UHFFFAOYSA-N 0 0 174.583 2.110 10 0 AEAERN OCCC/C=C\[C@@H](O)c1ccccc1 308622110 573563101 /nfs/dbraw/zinc/56/31/01/573563101.db2.gz GMCBRSPESQLBII-DJTUGOFGSA-N 0 0 192.258 2.049 10 0 AEAERN CCOC(=O)NC1=C[C@@H]2CCCC[C@H]12 145125550 573563192 /nfs/dbraw/zinc/56/31/92/573563192.db2.gz YLNBFEUQENFCHO-IUCAKERBSA-N 0 0 195.262 2.436 10 0 AEAERN CC(C)N1N=CC(=O)C1C1CCC1 257831512 573563237 /nfs/dbraw/zinc/56/32/37/573563237.db2.gz JRQPVLUVZLECME-UHFFFAOYSA-N 0 0 180.251 2.437 10 0 AEAERN Cc1cc(Cl)nc2c1CC[C@@H]2O 145195628 573563296 /nfs/dbraw/zinc/56/32/96/573563296.db2.gz HVRUTPMBYKOXBN-ZETCQYMHSA-N 0 0 183.638 2.023 10 0 AEAERN N[C@@H](c1ccsc1)C(F)F 95779298 573563301 /nfs/dbraw/zinc/56/33/01/573563301.db2.gz QKGAOHIMLVVRPU-YFKPBYRVSA-N 0 0 163.192 2.013 10 0 AEAERN Cc1ccc(N(C)CC(C)(C)CO)o1 258776267 573563341 /nfs/dbraw/zinc/56/33/41/573563341.db2.gz ICXSWZVJCUZCKL-UHFFFAOYSA-N 0 0 197.278 2.043 10 0 AEAERN C[C@@H]1c2ccccc2[C@@H](C)C1NC=O 238439994 573563349 /nfs/dbraw/zinc/56/33/49/573563349.db2.gz GDKRMSHGEAYVRF-RKDXNWHRSA-N 0 0 189.258 2.022 10 0 AEAERN O=C1CCc2cc(Cl)oc21 107399619 573563371 /nfs/dbraw/zinc/56/33/71/573563371.db2.gz NSDOYBYORXPXKP-UHFFFAOYSA-N 0 0 156.568 2.062 10 0 AEAERN C[C@H]1C[C@H](CO)c2ccccc21 238440365 573563373 /nfs/dbraw/zinc/56/33/73/573563373.db2.gz RXYAYIYMJSDWIY-DTWKUNHWSA-N 0 0 162.232 2.270 10 0 AEAERN c1ccc(NCc2cnns2)cc1 83592564 573563375 /nfs/dbraw/zinc/56/33/75/573563375.db2.gz USDYSXZVFIFNQZ-UHFFFAOYSA-N 0 0 191.259 2.150 10 0 AEAERN CCc1ncc(C(F)(F)F)cc1O 145178286 573563404 /nfs/dbraw/zinc/56/34/04/573563404.db2.gz XZKBOUGGMFAAKK-UHFFFAOYSA-N 0 0 191.152 2.368 10 0 AEAERN Cc1ccccc1-c1nocc1C=O 75420901 573563454 /nfs/dbraw/zinc/56/34/54/573563454.db2.gz DZPQVDROMMTYMP-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN CC[C@@H](C)Nc1cc(OC)ccc1N 86678509 573563468 /nfs/dbraw/zinc/56/34/68/573563468.db2.gz UBCSVVLQZDQZEZ-MRVPVSSYSA-N 0 0 194.278 2.488 10 0 AEAERN Cc1cc(F)oc1Br 257831373 573564372 /nfs/dbraw/zinc/56/43/72/573564372.db2.gz JPGCZJUVFBJMRU-UHFFFAOYSA-N 0 0 178.988 2.490 10 0 AEAERN CC(=O)c1cccc2c1C=CCO2 145113374 573563588 /nfs/dbraw/zinc/56/35/88/573563588.db2.gz RHDSYVQOSHOFPQ-UHFFFAOYSA-N 0 0 174.199 2.295 10 0 AEAERN OC1(c2cccc3c2CCS3)CC1 258061985 573564466 /nfs/dbraw/zinc/56/44/66/573564466.db2.gz LPVSDKNVUPNVSK-UHFFFAOYSA-N 0 0 192.283 2.316 10 0 AEAERN CCOC(=O)[C@H](C)c1ccncc1C 259512227 573563828 /nfs/dbraw/zinc/56/38/28/573563828.db2.gz ABSGNIUZLPZUFL-SECBINFHSA-N 0 0 193.246 2.057 10 0 AEAERN CC(C)c1c2ccc(N)cc2nn1C 257831551 573563832 /nfs/dbraw/zinc/56/38/32/573563832.db2.gz JLIYTNQFSJVFNN-UHFFFAOYSA-N 0 0 189.262 2.279 10 0 AEAERN C[C@@H]1Cc2ccc(CCCO)cc2C1 258061827 573563951 /nfs/dbraw/zinc/56/39/51/573563951.db2.gz LMAMHZKHTAKIAN-SNVBAGLBSA-N 0 0 190.286 2.346 10 0 AEAERN COc1ccc(C)c(CC2(O)CC2)c1 258061819 573563992 /nfs/dbraw/zinc/56/39/92/573563992.db2.gz LLMKMYJXEOYOCE-UHFFFAOYSA-N 0 0 192.258 2.071 10 0 AEAERN C[C@H](O)/C=C/C[Si](C)(C)C 238433036 573564007 /nfs/dbraw/zinc/56/40/07/573564007.db2.gz PQTSOAQXKUTKQN-GJIOHYHPSA-N 0 0 158.317 2.262 10 0 AEAERN Nc1cccc(CC2CCOCC2)c1 257831526 573564026 /nfs/dbraw/zinc/56/40/26/573564026.db2.gz JLCHGSDSASIBNL-UHFFFAOYSA-N 0 0 191.274 2.238 10 0 AEAERN COc1c(C[C@@H](C)O)ccc(F)c1C 258061947 573564030 /nfs/dbraw/zinc/56/40/30/573564030.db2.gz LOQJRPIBXJYDQU-SSDOTTSWSA-N 0 0 198.237 2.066 10 0 AEAERN Nc1cc(-c2cccc3cc[nH]c23)[nH]n1 258061892 573564094 /nfs/dbraw/zinc/56/40/94/573564094.db2.gz LMOCZHPLNUAFPE-UHFFFAOYSA-N 0 0 198.229 2.140 10 0 AEAERN C[C@H](CO)[C@@H]1Cc2ccc(F)cc2C1 257831192 573564122 /nfs/dbraw/zinc/56/41/22/573564122.db2.gz JGJYICMOVXHBSK-PSASIEDQSA-N 0 0 194.249 2.169 10 0 AEAERN CCOC(=O)[C@@H](C)c1ccncc1C 259512228 573564126 /nfs/dbraw/zinc/56/41/26/573564126.db2.gz ABSGNIUZLPZUFL-VIFPVBQESA-N 0 0 193.246 2.057 10 0 AEAERN Cc1ccc(C=O)c(C(C)(C)O)c1 258062552 573564147 /nfs/dbraw/zinc/56/41/47/573564147.db2.gz STXMIJLJVCZVBQ-UHFFFAOYSA-N 0 0 178.231 2.035 10 0 AEAERN CC(C)c1ccc(OC(N)=O)cc1 78649911 573564149 /nfs/dbraw/zinc/56/41/49/573564149.db2.gz UHISYYJKTIQLJE-UHFFFAOYSA-N 0 0 179.219 2.268 10 0 AEAERN CC(=O)[C@H]1CC=C(C)[C@@H]1C 238432212 573564163 /nfs/dbraw/zinc/56/41/63/573564163.db2.gz TWNLXCKMTNGYKR-CBAPKCEASA-N 0 0 138.210 2.178 10 0 AEAERN OC1(Cc2cc(F)ccc2F)CC1 258061926 573564169 /nfs/dbraw/zinc/56/41/69/573564169.db2.gz LODSNMOOTHROPX-UHFFFAOYSA-N 0 0 184.185 2.032 10 0 AEAERN C[C@H]1CCN1c1cc(F)ccc1N 86678441 573564244 /nfs/dbraw/zinc/56/42/44/573564244.db2.gz DYYFIPCTCHARBE-ZETCQYMHSA-N 0 0 180.226 2.007 10 0 AEAERN Cc1c(C)c(C)c(CO)c(O)c1C 145213122 573564261 /nfs/dbraw/zinc/56/42/61/573564261.db2.gz YMDFJFAAQHDZFT-UHFFFAOYSA-N 0 0 180.247 2.118 10 0 AEAERN CC1=C(C(C)C)SCC[NH2+]1 145244591 573564439 /nfs/dbraw/zinc/56/44/39/573564439.db2.gz SDYQMGBGVGKPCR-UHFFFAOYSA-N 0 0 157.282 2.210 10 0 AEAERN COc1ccc(NC(=O)S)cc1C 258776038 573564443 /nfs/dbraw/zinc/56/44/43/573564443.db2.gz XUDBFBZHGGANTA-UHFFFAOYSA-N 0 0 197.259 2.465 10 0 AEAERN C[C@H]1CC[C@H](C(C)(C)N=O)C1=O 238432893 573564498 /nfs/dbraw/zinc/56/44/98/573564498.db2.gz ISKARCSFZKAWJX-BQBZGAKWSA-N 0 0 169.224 2.147 10 0 AEAERN C[C@H](CO)[C@@H]1CCc2ccc(F)cc21 257831516 573564548 /nfs/dbraw/zinc/56/45/48/573564548.db2.gz JKZKXXRDBIACAK-KCJUWKMLSA-N 0 0 194.249 2.484 10 0 AEAERN C[C@@H]1OC(=O)C[C@@H]2CCCC[C@H]21 145203599 573564601 /nfs/dbraw/zinc/56/46/01/573564601.db2.gz DQSNALGDONKRBI-CIUDSAMLSA-N 0 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/nfs/dbraw/zinc/56/67/60/573566760.db2.gz TTXRZIDKBIKNJR-UHFFFAOYSA-N 0 0 184.622 2.299 10 0 AEAERN C[C@H](C(N)=O)[C@H](C)C1CCCCC1 238433021 573566261 /nfs/dbraw/zinc/56/62/61/573566261.db2.gz IWEIJLCKGDTHNS-IUCAKERBSA-N 0 0 183.295 2.324 10 0 AEAERN CCOC(=O)c1nc(C)c(C(C)C)[nH]1 258780154 573566437 /nfs/dbraw/zinc/56/64/37/573566437.db2.gz UUJMTDYRWQNCKH-UHFFFAOYSA-N 0 0 196.250 2.018 10 0 AEAERN C[C@@H](CO)[C@H]1CCc2ccc(F)cc21 257831513 573566470 /nfs/dbraw/zinc/56/64/70/573566470.db2.gz JKZKXXRDBIACAK-GZMMTYOYSA-N 0 0 194.249 2.484 10 0 AEAERN CCC[C@](C)(O)Cc1ccoc1 130504000 573566474 /nfs/dbraw/zinc/56/64/74/573566474.db2.gz GOSCJQSZNGXJAL-JTQLQIEISA-N 0 0 168.236 2.373 10 0 AEAERN OC/C=C/C=C\CCc1cccnc1 308624770 573566500 /nfs/dbraw/zinc/56/65/00/573566500.db2.gz JQSUEYZXHXOFRC-REDYYMJGSA-N 0 0 189.258 2.119 10 0 AEAERN Cc1ccc([C@@H](C)[C@H](C)C(N)=O)cc1 238432849 573566525 /nfs/dbraw/zinc/56/65/25/573566525.db2.gz NYONJUOLFBURKI-UWVGGRQHSA-N 0 0 191.274 2.220 10 0 AEAERN C[C@@H](CO)[C@@H]1Cc2ccc(F)cc2C1 257831194 573566563 /nfs/dbraw/zinc/56/65/63/573566563.db2.gz JGJYICMOVXHBSK-WCBMZHEXSA-N 0 0 194.249 2.169 10 0 AEAERN CC(=O)C[C@@H](C)c1ccncc1 107401303 573566592 /nfs/dbraw/zinc/56/65/92/573566592.db2.gz FAWARXCKSNLMFN-MRVPVSSYSA-N 0 0 163.220 2.164 10 0 AEAERN CC1(C)CC2(CCC1C=O)OCCO2 308625296 573566681 /nfs/dbraw/zinc/56/66/81/573566681.db2.gz KIKWNSUTLASDBZ-CLFYSBASSA-N 0 0 198.262 2.382 10 0 AEAERN CC[C@H]([C@H](C)O)[C@H](O)c1ccccc1 308624388 573566692 /nfs/dbraw/zinc/56/66/92/573566692.db2.gz JHRJNLCQKJWGEC-MVWJERBFSA-N 0 0 194.274 2.127 10 0 AEAERN CC/C(=C/c1ccc(O)cc1)CO 211917126 573566693 /nfs/dbraw/zinc/56/66/93/573566693.db2.gz RGTITZCRAFEDEA-CLFYSBASSA-N 0 0 178.231 2.178 10 0 AEAERN C[C@H]1C[C@@]1(O)c1ccc(Cl)o1 235618695 573566716 /nfs/dbraw/zinc/56/67/16/573566716.db2.gz OSCIGJLENSULJZ-XNCJUZBTSA-N 0 0 172.611 2.160 10 0 AEAERN Cc1c(-c2ccc(O)cc2)cnn1C 257831124 573566724 /nfs/dbraw/zinc/56/67/24/573566724.db2.gz 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/nfs/dbraw/zinc/56/70/37/573567037.db2.gz JJYPJCSKVYZJKR-UHFFFAOYSA-N 0 0 193.294 2.222 10 0 AEAERN C[C@H]1C(=O)C(C)(C)C1(C)C 238432654 573567063 /nfs/dbraw/zinc/56/70/63/573567063.db2.gz WWGYMSFJMDJUNS-LURJTMIESA-N 0 0 140.226 2.258 10 0 AEAERN Nc1c(F)cccc1Nc1cc[nH]c1 258780034 573567073 /nfs/dbraw/zinc/56/70/73/573567073.db2.gz LHMYXIQBHSFUKA-UHFFFAOYSA-N 0 0 191.209 2.480 10 0 AEAERN C[C@@H]1CC[C@@H]2C(=N[C@@H](O)C2(C)C)C1 238444411 573569517 /nfs/dbraw/zinc/56/95/17/573569517.db2.gz REFZHHUZUOTPLZ-MRTMQBJTSA-N 0 0 181.279 2.222 10 0 AEAERN O[C@@H]1C=C[C@@H](O)CCCCCCCC1 308625322 573567883 /nfs/dbraw/zinc/56/78/83/573567883.db2.gz KKIOALAPIVOSSS-RYUDHWBXSA-N 0 0 198.306 2.399 10 0 AEAERN Fc1ccnc(-c2nccs2)c1 145212030 573567939 /nfs/dbraw/zinc/56/79/39/573567939.db2.gz CLESIMMVOSXHKF-UHFFFAOYSA-N 0 0 180.207 2.344 10 0 AEAERN CC(=O)Nc1cccc(N=O)c1 145250505 573567946 /nfs/dbraw/zinc/56/79/46/573567946.db2.gz PBMMHYLIFKHDBS-UHFFFAOYSA-N 0 0 164.164 2.043 10 0 AEAERN C/C=C\[C@H](O)[C@H]1C(=O)CCCC1(C)C 308623789 573568003 /nfs/dbraw/zinc/56/80/03/573568003.db2.gz IIWAFVUPXIEHDR-WLFBYUSQSA-N 0 0 196.290 2.319 10 0 AEAERN CCCCNc1ccc(OCC)nn1 308633458 573568025 /nfs/dbraw/zinc/56/80/25/573568025.db2.gz ZYZVQNJJYBIIDQ-UHFFFAOYSA-N 0 0 195.266 2.087 10 0 AEAERN CC(C)OCOc1ccc(N)cc1F 308625442 573568033 /nfs/dbraw/zinc/56/80/33/573568033.db2.gz VSCDNQGTOZDGQU-UHFFFAOYSA-N 0 0 199.225 2.169 10 0 AEAERN CCC1([C@H](O)Cc2ccncc2)CC1 308633154 573568112 /nfs/dbraw/zinc/56/81/12/573568112.db2.gz ZVGQJYSRTOQWCH-LLVKDONJSA-N 0 0 191.274 2.175 10 0 AEAERN Nc1ccc(O)c2ccsc12 145235043 573568062 /nfs/dbraw/zinc/56/80/62/573568062.db2.gz DTLSAWMJYOPFNB-UHFFFAOYSA-N 0 0 165.217 2.189 10 0 AEAERN C=C=C1CCCC[C@H]1[C@@H](C)O 238433659 573569482 /nfs/dbraw/zinc/56/94/82/573569482.db2.gz UXFZQKUCWQVCGC-SCZZXKLOSA-N 0 0 152.237 2.269 10 0 AEAERN CC(=O)C[C@H]1CCS[C@@H]1C 107400134 573569501 /nfs/dbraw/zinc/56/95/01/573569501.db2.gz RAMZJMSBYKNLRJ-HTQZYQBOSA-N 0 0 158.266 2.107 10 0 AEAERN O[C@H]1C=C[C@H](O)CCCCCCCC1 308625324 573569045 /nfs/dbraw/zinc/56/90/45/573569045.db2.gz KKIOALAPIVOSSS-VXGBXAGGSA-N 0 0 198.306 2.399 10 0 AEAERN CC(C)Cc1ccc(C=O)o1 75424829 573569073 /nfs/dbraw/zinc/56/90/73/573569073.db2.gz JUWDNQAGHYHWEL-UHFFFAOYSA-N 0 0 152.193 2.291 10 0 AEAERN CCc1cc2c(o1)C(=O)CCC2 107401521 573569081 /nfs/dbraw/zinc/56/90/81/573569081.db2.gz YIEFPOWPICEZSM-UHFFFAOYSA-N 0 0 164.204 2.361 10 0 AEAERN O=C1Cc2c([nH]c3ccccc23)S1 75426246 573569094 /nfs/dbraw/zinc/56/90/94/573569094.db2.gz DEWAOVSXZUIQTF-UHFFFAOYSA-N 0 0 189.239 2.343 10 0 AEAERN C1=CC[C@@H](Cn2ccnc2)CC1 59601938 573569101 /nfs/dbraw/zinc/56/91/01/573569101.db2.gz AEIPTPGUCDQKLT-SNVBAGLBSA-N 0 0 162.236 2.239 10 0 AEAERN O=Cc1ccccc1C[C@H]1CCOC1 257831930 573569124 /nfs/dbraw/zinc/56/91/24/573569124.db2.gz JPFHKUOSWMXXIP-SNVBAGLBSA-N 0 0 190.242 2.078 10 0 AEAERN CNC(NC)c1c(C)cc(C)cc1C 259512080 573569138 /nfs/dbraw/zinc/56/91/38/573569138.db2.gz SUWSZODXWHYPRL-UHFFFAOYSA-N 0 0 192.306 2.049 10 0 AEAERN C[NH2+][C@@]1(CC(=O)[O-])CCC[C@H](C)CC1 83611870 573569141 /nfs/dbraw/zinc/56/91/41/573569141.db2.gz DDPBXOYJMURTTO-ONGXEEELSA-N 0 0 199.294 2.020 10 0 AEAERN C[NH2+]C1(CC(=O)[O-])CCC(C)(C)CC1 83611660 573569162 /nfs/dbraw/zinc/56/91/62/573569162.db2.gz WPCKDZDUQKGMRA-UHFFFAOYSA-N 0 0 199.294 2.020 10 0 AEAERN CC(=O)C[C@@H]1CCS[C@@H]1C 107400130 573569178 /nfs/dbraw/zinc/56/91/78/573569178.db2.gz RAMZJMSBYKNLRJ-SFYZADRCSA-N 0 0 158.266 2.107 10 0 AEAERN Cc1c(C)c(C=O)c2c(c1C)CCO2 59357183 573569205 /nfs/dbraw/zinc/56/92/05/573569205.db2.gz PHDJBLKNKWSNQU-UHFFFAOYSA-N 0 0 190.242 2.359 10 0 AEAERN COc1ccc(-c2ccno2)cc1F 83618021 573569217 /nfs/dbraw/zinc/56/92/17/573569217.db2.gz KWGJQVHKOICDFG-UHFFFAOYSA-N 0 0 193.177 2.489 10 0 AEAERN O[C@@H]1C=C[C@H](O)CCCCCCCC1 308625323 573569265 /nfs/dbraw/zinc/56/92/65/573569265.db2.gz KKIOALAPIVOSSS-TXEJJXNPSA-N 0 0 198.306 2.399 10 0 AEAERN Cc1ccc(OCOC(C)C)c(N)c1 308625931 573569321 /nfs/dbraw/zinc/56/93/21/573569321.db2.gz 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/nfs/dbraw/zinc/57/27/02/573572702.db2.gz HTUVMVCCRZFBAH-QMMMGPOBSA-N 0 0 198.237 2.068 10 0 AEAERN CC(=O)c1ccc(-c2cc[nH]n2)s1 75427185 573571633 /nfs/dbraw/zinc/57/16/33/573571633.db2.gz QQNUUXJOJICMQJ-UHFFFAOYSA-N 0 0 192.243 2.341 10 0 AEAERN COC(=O)[C@@H]1[C@@H](C)[C@H]1C1CCCC1 259615620 573572656 /nfs/dbraw/zinc/57/26/56/573572656.db2.gz NBPDPANBGYIOGI-UJNFCWOMSA-N 0 0 182.263 2.232 10 0 AEAERN CC(C)(C)C(=O)c1ccc(N)o1 75424673 573570441 /nfs/dbraw/zinc/57/04/41/573570441.db2.gz NXQZKTGZYFVUDC-UHFFFAOYSA-N 0 0 167.208 2.091 10 0 AEAERN C/C(=C/c1ccc2c(c1)CCO2)CO 211920009 573570415 /nfs/dbraw/zinc/57/04/15/573570415.db2.gz OTRQYPUAGZDCDR-TWGQIWQCSA-N 0 0 190.242 2.017 10 0 AEAERN COc1c(N)c(C)cc2occc12 75428022 573570475 /nfs/dbraw/zinc/57/04/75/573570475.db2.gz ILVGXPUBGKJRNM-UHFFFAOYSA-N 0 0 177.203 2.332 10 0 AEAERN Cc1ncc(-c2ccc(C=O)cc2)cn1 257832288 573570498 /nfs/dbraw/zinc/57/04/98/573570498.db2.gz HWEIDNCFBDULNF-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN CC(C)Cc1nc(Cl)c(N)cc1N 257832270 573570504 /nfs/dbraw/zinc/57/05/04/573570504.db2.gz HVRWSZAUMUGSNN-UHFFFAOYSA-N 0 0 199.685 2.098 10 0 AEAERN Cc1nc(-c2cc(C)c(C)s2)n[nH]1 83631592 573572892 /nfs/dbraw/zinc/57/28/92/573572892.db2.gz NFBYMFQVGMWVTF-UHFFFAOYSA-N 0 0 193.275 2.458 10 0 AEAERN O=Cc1ccccc1C[C@@H]1CCOC1 257831928 573570537 /nfs/dbraw/zinc/57/05/37/573570537.db2.gz JPFHKUOSWMXXIP-JTQLQIEISA-N 0 0 190.242 2.078 10 0 AEAERN Nc1cc(CNc2ccccc2)ccn1 257831741 573570588 /nfs/dbraw/zinc/57/05/88/573570588.db2.gz HSCBIOQENXZALB-UHFFFAOYSA-N 0 0 199.257 2.276 10 0 AEAERN COCC(C)(C)CNc1nc(C)co1 308623657 573570644 /nfs/dbraw/zinc/57/06/44/573570644.db2.gz VBXCIRRVKDJZBJ-UHFFFAOYSA-N 0 0 198.266 2.068 10 0 AEAERN O=Cc1ccc(Cc2ccccn2)o1 75424847 573570675 /nfs/dbraw/zinc/57/06/75/573570675.db2.gz HDIFMHPMICQYAY-UHFFFAOYSA-N 0 0 187.198 2.078 10 0 AEAERN CC[C@H](C)Nc1ccc(N)cc1OC 86687419 573572895 /nfs/dbraw/zinc/57/28/95/573572895.db2.gz VPUYXSNFARXQMC-QMMMGPOBSA-N 0 0 194.278 2.488 10 0 AEAERN O=Cc1ccc(Cc2cccs2)[nH]1 75425734 573570701 /nfs/dbraw/zinc/57/07/01/573570701.db2.gz SQCRWYWDZBCRPY-UHFFFAOYSA-N 0 0 191.255 2.480 10 0 AEAERN C[C@H](CO)c1ccc(CF)cc1 258064494 573572692 /nfs/dbraw/zinc/57/26/92/573572692.db2.gz TUPRFMIDRADPRX-MRVPVSSYSA-N 0 0 168.211 2.252 10 0 AEAERN C[C@@H](O)[C@H]1CC=C(Cl)CC1 238433411 573570720 /nfs/dbraw/zinc/57/07/20/573570720.db2.gz XFUHWVCJEVQEFZ-RQJHMYQMSA-N 0 0 160.644 2.290 10 0 AEAERN CCCCC[C@H](CC(=O)[O-])[NH2+]CC 83613477 573570734 /nfs/dbraw/zinc/57/07/34/573570734.db2.gz MIBBXYBAIZIPFB-SECBINFHSA-N 0 0 187.283 2.020 10 0 AEAERN Cc1[nH]cnc1-c1ccccc1C=O 257831966 573570797 /nfs/dbraw/zinc/57/07/97/573570797.db2.gz JWPDGUSLSDLSHW-UHFFFAOYSA-N 0 0 186.214 2.198 10 0 AEAERN COc1c(C)cc(N)c2occc12 75428025 573570855 /nfs/dbraw/zinc/57/08/55/573570855.db2.gz XWNGOLGKICXEKD-UHFFFAOYSA-N 0 0 177.203 2.332 10 0 AEAERN BrC1=NOC2(CCC2)C1 257831912 573570916 /nfs/dbraw/zinc/57/09/16/573570916.db2.gz JOYDGOYLZSIGES-UHFFFAOYSA-N 0 0 190.040 2.038 10 0 AEAERN O=Cc1csc2ccoc12 75426418 573570972 /nfs/dbraw/zinc/57/09/72/573570972.db2.gz FVUPLFRMPMKMQB-UHFFFAOYSA-N 0 0 152.174 2.307 10 0 AEAERN CC1=C(C)[C@H](O)CC[C@H]1C 238444317 573571012 /nfs/dbraw/zinc/57/10/12/573571012.db2.gz ZKHSLILSPFHLFM-HZGVNTEJSA-N 0 0 140.226 2.114 10 0 AEAERN CC/C(=C/c1ccoc1)CO 211926417 573571028 /nfs/dbraw/zinc/57/10/28/573571028.db2.gz OJWAOQQLWMGFCL-YVMONPNESA-N 0 0 152.193 2.065 10 0 AEAERN CO[C@@H]1CCCc2cc(O)ccc21 257831850 573571029 /nfs/dbraw/zinc/57/10/29/573571029.db2.gz JTNHAJAPHWHZKN-LLVKDONJSA-N 0 0 178.231 2.416 10 0 AEAERN CC(=O)C[C@H](C)c1cc(C)on1 107403391 573571047 /nfs/dbraw/zinc/57/10/47/573571047.db2.gz HCXSDVLNKTXZOV-LURJTMIESA-N 0 0 167.208 2.066 10 0 AEAERN C[C@@H]1[C@H](O)O[C@@H](c2ccccc2)[C@@H]1C 238444093 573571051 /nfs/dbraw/zinc/57/10/51/573571051.db2.gz JQHCGLHONCUEEL-RBLKWDMZSA-N 0 0 192.258 2.349 10 0 AEAERN O=C1Cc2cc(F)ccc2S1 75426230 573571054 /nfs/dbraw/zinc/57/10/54/573571054.db2.gz HSUORXSSYJSKJG-UHFFFAOYSA-N 0 0 168.192 2.001 10 0 AEAERN Nc1cc(F)ccc1N1CC2(CC2)C1 86687537 573571058 /nfs/dbraw/zinc/57/10/58/573571058.db2.gz SUEBLTVPPSYWRC-UHFFFAOYSA-N 0 0 192.237 2.008 10 0 AEAERN Cc1cc(N)ccc1N1CC(C)C1 86687305 573571069 /nfs/dbraw/zinc/57/10/69/573571069.db2.gz OGGJIBLKOTVMNM-UHFFFAOYSA-N 0 0 176.263 2.033 10 0 AEAERN COc1cc(C=O)c(C)c(C)c1OC 257832011 573571078 /nfs/dbraw/zinc/57/10/78/573571078.db2.gz JQXPNNRDIDVYCG-UHFFFAOYSA-N 0 0 194.230 2.133 10 0 AEAERN Cc1c(N)cccc1N1CC(C)C1 86687597 573571089 /nfs/dbraw/zinc/57/10/89/573571089.db2.gz YXRSJIHMFWJJFW-UHFFFAOYSA-N 0 0 176.263 2.033 10 0 AEAERN CO[C@H]1CCCc2cc(O)ccc21 257831852 573571116 /nfs/dbraw/zinc/57/11/16/573571116.db2.gz JTNHAJAPHWHZKN-NSHDSACASA-N 0 0 178.231 2.416 10 0 AEAERN Cc1ccc(N)cc1N1CC[C@H]1C 86687640 573571233 /nfs/dbraw/zinc/57/12/33/573571233.db2.gz MJCVKWACEBMIRY-SECBINFHSA-N 0 0 176.263 2.176 10 0 AEAERN CC[C@H](C)[C@H](C)[C@H](O)CC 78672393 573571243 /nfs/dbraw/zinc/57/12/43/573571243.db2.gz UETCWEUMZPDOSH-XHNCKOQMSA-N 0 0 144.258 2.440 10 0 AEAERN Cc1ccc(N2CC[C@H]2C)cc1N 86687726 573571258 /nfs/dbraw/zinc/57/12/58/573571258.db2.gz MXKWVKLXAIWKAX-SECBINFHSA-N 0 0 176.263 2.176 10 0 AEAERN O=Cc1ccc(Cc2ccncc2)o1 75424848 573571275 /nfs/dbraw/zinc/57/12/75/573571275.db2.gz RNACTQMCCQUEPL-UHFFFAOYSA-N 0 0 187.198 2.078 10 0 AEAERN Cc1noc2cc([C@H](C)O)ccc12 258064568 573571281 /nfs/dbraw/zinc/57/12/81/573571281.db2.gz TVERCELGOSHGFE-ZETCQYMHSA-N 0 0 177.203 2.190 10 0 AEAERN C[C@H]1C=CCc2ccccc1c2=O 238445768 573571301 /nfs/dbraw/zinc/57/13/01/573571301.db2.gz VWQZXYNKHOHDCL-VIFPVBQESA-N 0 0 172.227 2.263 10 0 AEAERN Nc1c2c(cc3ccsc13)OCO2 75427979 573571305 /nfs/dbraw/zinc/57/13/05/573571305.db2.gz XEPPUNYJWQTRQJ-UHFFFAOYSA-N 0 0 193.227 2.212 10 0 AEAERN CCC[C@](C)(O)Cc1ccco1 130504434 573571306 /nfs/dbraw/zinc/57/13/06/573571306.db2.gz JIMYZSZKQUVJEP-JTQLQIEISA-N 0 0 168.236 2.373 10 0 AEAERN Cc1c(N)cccc1N1CC[C@@H]1C 86687609 573571314 /nfs/dbraw/zinc/57/13/14/573571314.db2.gz FMLJJLUMCAQVIF-QMMMGPOBSA-N 0 0 176.263 2.176 10 0 AEAERN C[C@@H](O)c1cccc(CF)c1 211924586 573571372 /nfs/dbraw/zinc/57/13/72/573571372.db2.gz OTLWRFQGGBOGQF-SSDOTTSWSA-N 0 0 154.184 2.209 10 0 AEAERN CC[C@@H](C)Nc1cc(N)ccc1OC 86687656 573571373 /nfs/dbraw/zinc/57/13/73/573571373.db2.gz IDDKUICEYADKJV-MRVPVSSYSA-N 0 0 194.278 2.488 10 0 AEAERN CC[C@@H](C)Nc1ccc(N)cc1OC 86687417 573571391 /nfs/dbraw/zinc/57/13/91/573571391.db2.gz VPUYXSNFARXQMC-MRVPVSSYSA-N 0 0 194.278 2.488 10 0 AEAERN COC(=O)[C@H]1[C@@H](C2CCCC2)[C@H]1C 259615615 573571410 /nfs/dbraw/zinc/57/14/10/573571410.db2.gz NBPDPANBGYIOGI-SZEHBUNVSA-N 0 0 182.263 2.232 10 0 AEAERN O=Cc1[nH]ccc1Cc1ccccc1 75425308 573571414 /nfs/dbraw/zinc/57/14/14/573571414.db2.gz WYJQFELQJHBVDQ-UHFFFAOYSA-N 0 0 185.226 2.418 10 0 AEAERN Cc1ccc(N2CC[C@@H]2C)cc1N 86687724 573571473 /nfs/dbraw/zinc/57/14/73/573571473.db2.gz MXKWVKLXAIWKAX-VIFPVBQESA-N 0 0 176.263 2.176 10 0 AEAERN FC1(F)CNCC[C@@H]1C1CCCC1 257832046 573571569 /nfs/dbraw/zinc/57/15/69/573571569.db2.gz KHXXMDDPPMUPBL-SECBINFHSA-N 0 0 189.249 2.421 10 0 AEAERN C[C@@H]1C[C@@H]1[C@H](O)CCCCF 393537538 573571573 /nfs/dbraw/zinc/57/15/73/573571573.db2.gz LQTVQAGUUPJDPQ-HRDYMLBCSA-N 0 0 160.232 2.143 10 0 AEAERN Cc1ccc(N2CC(C)C2)cc1N 86687714 573571594 /nfs/dbraw/zinc/57/15/94/573571594.db2.gz ZFPFCWGFRMWFTR-UHFFFAOYSA-N 0 0 176.263 2.033 10 0 AEAERN CC1(C)CCC[C@](C)(O)[C@H]1/C=C\CO 308633621 573571607 /nfs/dbraw/zinc/57/16/07/573571607.db2.gz XARKSOXJDCJEBW-IHZVSJIRSA-N 0 0 198.306 2.112 10 0 AEAERN Cc1ccc(N)cc1N1CC(C)C1 86687625 573571667 /nfs/dbraw/zinc/57/16/67/573571667.db2.gz RICRORIFCWOVIF-UHFFFAOYSA-N 0 0 176.263 2.033 10 0 AEAERN Nc1ccc([C@H](O)CC2CCC2)cc1 236368120 573571678 /nfs/dbraw/zinc/57/16/78/573571678.db2.gz DFSFOZRINHSXJL-GFCCVEGCSA-N 0 0 191.274 2.492 10 0 AEAERN CC(/C=C\c1c(C)noc1C)=C/CO 308635074 573571703 /nfs/dbraw/zinc/57/17/03/573571703.db2.gz XYGMRFMEJHQVJX-NADLECRISA-N 0 0 193.246 2.243 10 0 AEAERN C[C@H](O)/C=C/[C@H](C)[C@@H]1CCCCC1=O 238433391 573571733 /nfs/dbraw/zinc/57/17/33/573571733.db2.gz BKACGLHMROEUPZ-ZYUZMEKTSA-N 0 0 196.290 2.319 10 0 AEAERN C[C@@H]1CC[C@@H](O)C(C)(C)[C@@H]1C 238444260 573571764 /nfs/dbraw/zinc/57/17/64/573571764.db2.gz URCZKVRFWYOBCT-IWSPIJDZSA-N 0 0 156.269 2.440 10 0 AEAERN C[C@H](C[Si](C)(C)C)[C@@H](C)O 238444119 573571770 /nfs/dbraw/zinc/57/17/70/573571770.db2.gz VHRMFGOAUHYCJQ-HTQZYQBOSA-N 0 0 160.333 2.342 10 0 AEAERN COc1c(O)cc(C)cc1OC(C)C 238433686 573571804 /nfs/dbraw/zinc/57/18/04/573571804.db2.gz KDAMVIFCLLQKBO-UHFFFAOYSA-N 0 0 196.246 2.496 10 0 AEAERN C[C@H](O)/C=C/c1ccc([C@@H](C)O)cc1 224354009 573571807 /nfs/dbraw/zinc/57/18/07/573571807.db2.gz CMARBHOYLMEPQX-FCVPOFOPSA-N 0 0 192.258 2.134 10 0 AEAERN Cc1cc(-c2c[nH]c(=O)[nH]2)ccc1F 259113337 573571837 /nfs/dbraw/zinc/57/18/37/573571837.db2.gz PHFGPLFTDQXDRF-UHFFFAOYSA-N 0 0 192.193 2.230 10 0 AEAERN OCCc1ccc2cccc3c2c1CC3 238683069 573571845 /nfs/dbraw/zinc/57/18/45/573571845.db2.gz AAQWQIHTZZITBJ-UHFFFAOYSA-N 0 0 198.265 2.473 10 0 AEAERN C[C@@H](CO)c1ccc(CF)cc1 258064498 573571872 /nfs/dbraw/zinc/57/18/72/573571872.db2.gz TUPRFMIDRADPRX-QMMMGPOBSA-N 0 0 168.211 2.252 10 0 AEAERN CC1CN(c2ccc(N)cc2Cl)C1 86687340 573571886 /nfs/dbraw/zinc/57/18/86/573571886.db2.gz XQWCPUCYYXFVRM-UHFFFAOYSA-N 0 0 196.681 2.378 10 0 AEAERN Cc1sc2ccsc2c1[O-] 238433643 573571911 /nfs/dbraw/zinc/57/19/11/573571911.db2.gz GJWPSCHKHWTOLV-BYPYZUCNSA-N 0 0 170.258 2.425 10 0 AEAERN C[C@@H]1[C@@H](O)CCC12CCCC2 238444082 573572011 /nfs/dbraw/zinc/57/20/11/573572011.db2.gz JDFWSSKNWKGKHY-BDAKNGLRSA-N 0 0 154.253 2.338 10 0 AEAERN CCc1cc2c(s1)CCC2=O 107403062 573572072 /nfs/dbraw/zinc/57/20/72/573572072.db2.gz GIYAEJIXGDAGNK-UHFFFAOYSA-N 0 0 166.245 2.439 10 0 AEAERN Cn1nc2cccc(N)c2c1C1CC1 257831988 573572074 /nfs/dbraw/zinc/57/20/74/573572074.db2.gz JXHXZYKUBBFNDX-UHFFFAOYSA-N 0 0 187.246 2.033 10 0 AEAERN Cc1nc(-c2ccccc2CO)co1 257831889 573572093 /nfs/dbraw/zinc/57/20/93/573572093.db2.gz JOSSAIRWRARXLA-UHFFFAOYSA-N 0 0 189.214 2.142 10 0 AEAERN OCCCc1ccc2occc2c1F 258064764 573572101 /nfs/dbraw/zinc/57/21/01/573572101.db2.gz LQUWMPSURGCVTH-UHFFFAOYSA-N 0 0 194.205 2.497 10 0 AEAERN CCC1CN(c2ccc(N)cc2C)C1 86687304 573572171 /nfs/dbraw/zinc/57/21/71/573572171.db2.gz GNCWLNIEIFZVHO-UHFFFAOYSA-N 0 0 190.290 2.423 10 0 AEAERN C[C@@H]1CC[C@@H](O)C2=C1CCC2 238444354 573572192 /nfs/dbraw/zinc/57/21/92/573572192.db2.gz DXDGAVJYXBYITQ-GMSGAONNSA-N 0 0 152.237 2.258 10 0 AEAERN CSc1ccnc(Cl)c1C=O 238433199 573572259 /nfs/dbraw/zinc/57/22/59/573572259.db2.gz ATVFQOHUUYASOC-UHFFFAOYSA-N 0 0 187.651 2.269 10 0 AEAERN Nc1ccc(NCCC2CC2)cc1N 236368830 573572272 /nfs/dbraw/zinc/57/22/72/573572272.db2.gz GTLHCDIOOULBIX-UHFFFAOYSA-N 0 0 191.278 2.063 10 0 AEAERN CC[C@@H](C(=O)[O-])[N@@H+]1CCCCC[C@@H]1C 78672159 573572274 /nfs/dbraw/zinc/57/22/74/573572274.db2.gz IOKHMAUQUKCXKY-UWVGGRQHSA-N 0 0 199.294 2.114 10 0 AEAERN CCC[C@@](C)(O)Cc1ccoc1 130504247 573572281 /nfs/dbraw/zinc/57/22/81/573572281.db2.gz GOSCJQSZNGXJAL-SNVBAGLBSA-N 0 0 168.236 2.373 10 0 AEAERN C[C@H]1CCN1c1ccc(F)cc1N 86687543 573572312 /nfs/dbraw/zinc/57/23/12/573572312.db2.gz BCFJZBHUQHSRBF-ZETCQYMHSA-N 0 0 180.226 2.007 10 0 AEAERN Nc1ccc([C@H](O)C2CCCC2)cc1 236368087 573572329 /nfs/dbraw/zinc/57/23/29/573572329.db2.gz FDXFVDPDOQBHTA-GFCCVEGCSA-N 0 0 191.274 2.492 10 0 AEAERN Cc1c(N)cccc1N1CC2(CC2)C1 86687605 573572374 /nfs/dbraw/zinc/57/23/74/573572374.db2.gz NVVILBZLCLZNST-UHFFFAOYSA-N 0 0 188.274 2.177 10 0 AEAERN C[C@@H](Cc1cccc(Cl)c1)ON 259515460 573572382 /nfs/dbraw/zinc/57/23/82/573572382.db2.gz SDFBLLSFCJOTNF-ZETCQYMHSA-N 0 0 185.654 2.161 10 0 AEAERN Cc1cc(C2(O)CC2)sc1C 83632003 573572409 /nfs/dbraw/zinc/57/24/09/573572409.db2.gz RXQCLLZILOJHEG-UHFFFAOYSA-N 0 0 168.261 2.346 10 0 AEAERN Cc1c(N)cccc1N1CC[C@H]1C 86687611 573572429 /nfs/dbraw/zinc/57/24/29/573572429.db2.gz FMLJJLUMCAQVIF-MRVPVSSYSA-N 0 0 176.263 2.176 10 0 AEAERN C[C@@H]1C[C@H]1[C@@H](O)CCCCF 393537537 573572466 /nfs/dbraw/zinc/57/24/66/573572466.db2.gz LQTVQAGUUPJDPQ-HLTSFMKQSA-N 0 0 160.232 2.143 10 0 AEAERN C[C@@H](O)/C=C/c1ccc([C@@H](C)O)cc1 224354114 573572797 /nfs/dbraw/zinc/57/27/97/573572797.db2.gz CMARBHOYLMEPQX-HIHHVFROSA-N 0 0 192.258 2.134 10 0 AEAERN Cc1cc(N)ccc1N1CC[C@H]1C 86687319 573572484 /nfs/dbraw/zinc/57/24/84/573572484.db2.gz CFZCFPTZBZUXRD-SECBINFHSA-N 0 0 176.263 2.176 10 0 AEAERN COc1cnn(-c2cccc(C)c2)c1 258502852 573572511 /nfs/dbraw/zinc/57/25/11/573572511.db2.gz MCJKLAJCDOAYHW-UHFFFAOYSA-N 0 0 188.230 2.189 10 0 AEAERN Nc1ccc(NC2CCCC2)cc1N 236366124 573572518 /nfs/dbraw/zinc/57/25/18/573572518.db2.gz RYVILZVCRBGZKH-UHFFFAOYSA-N 0 0 191.278 2.206 10 0 AEAERN C[C@H](O)c1cccc(CF)c1 211924519 573572561 /nfs/dbraw/zinc/57/25/61/573572561.db2.gz OTLWRFQGGBOGQF-ZETCQYMHSA-N 0 0 154.184 2.209 10 0 AEAERN Cc1ccc(N(C)C(=O)S)o1 258782680 573572600 /nfs/dbraw/zinc/57/26/00/573572600.db2.gz YSILSPANSJXKPX-UHFFFAOYSA-N 0 0 171.221 2.074 10 0 AEAERN CSc1ccsc1NC(C)=O 238433621 573572810 /nfs/dbraw/zinc/57/28/10/573572810.db2.gz QWAIFXJTCBJHHT-UHFFFAOYSA-N 0 0 187.289 2.428 10 0 AEAERN C[C@@H](O)[C@H]1C=CCCCC1 238433677 573572837 /nfs/dbraw/zinc/57/28/37/573572837.db2.gz MKFOZUDUGFBBNQ-BDAKNGLRSA-N 0 0 140.226 2.114 10 0 AEAERN CC1(C)CCC[C@](C)(O)[C@@H]1/C=C\CO 308633624 573572853 /nfs/dbraw/zinc/57/28/53/573572853.db2.gz XARKSOXJDCJEBW-RDVLDQKLSA-N 0 0 198.306 2.112 10 0 AEAERN C[C@@H]1[C@H](O)c2ccccc2C12CC2 238444201 573572879 /nfs/dbraw/zinc/57/28/79/573572879.db2.gz CQWGGEJANZWDAJ-KCJUWKMLSA-N 0 0 174.243 2.401 10 0 AEAERN Cc1cccc2c1[C@H](F)CN2 257832666 573574796 /nfs/dbraw/zinc/57/47/96/573574796.db2.gz ACPJGHRXLBUPDO-SSDOTTSWSA-N 0 0 151.184 2.431 10 0 AEAERN CC(=O)C[C@@H](C)c1cc(C)on1 107403393 573573905 /nfs/dbraw/zinc/57/39/05/573573905.db2.gz HCXSDVLNKTXZOV-ZCFIWIBFSA-N 0 0 167.208 2.066 10 0 AEAERN COCc1ccc(OC)c(C)c1OC 259513262 573573919 /nfs/dbraw/zinc/57/39/19/573573919.db2.gz VIFPLRHCASMIMS-UHFFFAOYSA-N 0 0 196.246 2.159 10 0 AEAERN COCc1cccc([C@H](C)CO)c1F 258064720 573573942 /nfs/dbraw/zinc/57/39/42/573573942.db2.gz HTUVMVCCRZFBAH-MRVPVSSYSA-N 0 0 198.237 2.068 10 0 AEAERN Cc1cc(C)c2c(cc(C=O)n2C)n1 257832487 573573962 /nfs/dbraw/zinc/57/39/62/573573962.db2.gz JVHQUGFOGCBCTL-UHFFFAOYSA-N 0 0 188.230 2.003 10 0 AEAERN Cc1noc2cc([C@@H](C)O)ccc12 258064563 573573966 /nfs/dbraw/zinc/57/39/66/573573966.db2.gz TVERCELGOSHGFE-SSDOTTSWSA-N 0 0 177.203 2.190 10 0 AEAERN CC(/C=C\c1c(C)noc1C)=C\CO 308635073 573573988 /nfs/dbraw/zinc/57/39/88/573573988.db2.gz XYGMRFMEJHQVJX-GSGSLZOQSA-N 0 0 193.246 2.243 10 0 AEAERN CCC[C@@](C)(O)Cc1ccco1 130504666 573573999 /nfs/dbraw/zinc/57/39/99/573573999.db2.gz JIMYZSZKQUVJEP-SNVBAGLBSA-N 0 0 168.236 2.373 10 0 AEAERN CCC1CN(c2ccc(F)cc2N)C1 86687528 573574008 /nfs/dbraw/zinc/57/40/08/573574008.db2.gz QZUFUUCGLOAVAF-UHFFFAOYSA-N 0 0 194.253 2.254 10 0 AEAERN C[C@@H]1C[C@H]1[C@H](O)CCCCF 393537539 573574064 /nfs/dbraw/zinc/57/40/64/573574064.db2.gz LQTVQAGUUPJDPQ-IWSPIJDZSA-N 0 0 160.232 2.143 10 0 AEAERN CCC1CN(c2ccc(C)c(N)c2)C1 86687711 573574094 /nfs/dbraw/zinc/57/40/94/573574094.db2.gz ZBSYBZYGLXSWFN-UHFFFAOYSA-N 0 0 190.290 2.423 10 0 AEAERN CC[C@H](C)[C@@H](C)[C@H](O)CC 78672385 573574096 /nfs/dbraw/zinc/57/40/96/573574096.db2.gz UETCWEUMZPDOSH-DJLDLDEBSA-N 0 0 144.258 2.440 10 0 AEAERN C[C@]1(O)CNc2cc(Cl)ccc2C1 257832436 573574347 /nfs/dbraw/zinc/57/43/47/573574347.db2.gz JTPNKFHATBIMQF-SNVBAGLBSA-N 0 0 197.665 2.059 10 0 AEAERN Cc1ccc(N)cc1N1CC2(CC2)C1 86687634 573574103 /nfs/dbraw/zinc/57/41/03/573574103.db2.gz IGBAOUHYVBOMFR-UHFFFAOYSA-N 0 0 188.274 2.177 10 0 AEAERN C[C@@H]([NH2+]C(C)(C)C)c1ccc(O)cn1 145274175 573574108 /nfs/dbraw/zinc/57/41/08/573574108.db2.gz AZILZWLDSJMEPY-MRVPVSSYSA-N 0 0 194.278 2.236 10 0 AEAERN CCc1cc2c(s1)C(=O)CC2 107403060 573574117 /nfs/dbraw/zinc/57/41/17/573574117.db2.gz WIOVLLZVRXBUTP-UHFFFAOYSA-N 0 0 166.245 2.439 10 0 AEAERN Nc1ccc(NCC2CCC2)cc1N 236367860 573574153 /nfs/dbraw/zinc/57/41/53/573574153.db2.gz WSDGJXSFDXJBPF-UHFFFAOYSA-N 0 0 191.278 2.063 10 0 AEAERN C[C@@H]1C[C@@]2(C)C=C[C@@H]1CC2=O 238445257 573574154 /nfs/dbraw/zinc/57/41/54/573574154.db2.gz AXZJITXMGBMDTE-NQMVMOMDSA-N 0 0 150.221 2.178 10 0 AEAERN Nc1ccc(O)c(-c2cncs2)c1 145291249 573574162 /nfs/dbraw/zinc/57/41/62/573574162.db2.gz WMVIQIYUKMFRIV-UHFFFAOYSA-N 0 0 192.243 2.098 10 0 AEAERN O=Cc1ccc2c(c1)[C@@H](O)CCS2 257832432 573574172 /nfs/dbraw/zinc/57/41/72/573574172.db2.gz JTCQRJVCLSHABD-VIFPVBQESA-N 0 0 194.255 2.028 10 0 AEAERN C=CC(=O)NCc1cc(C)c(C)s1 83633256 573574176 /nfs/dbraw/zinc/57/41/76/573574176.db2.gz CTTXJXMQHAJUQV-UHFFFAOYSA-N 0 0 195.287 2.167 10 0 AEAERN C[C@@H]1CCCC(C)(C)C[C@H]1NC(N)=O 238445155 573574189 /nfs/dbraw/zinc/57/41/89/573574189.db2.gz VNGCGFZQLXHSMK-RKDXNWHRSA-N 0 0 198.310 2.260 10 0 AEAERN CC1CN(c2cc(Cl)ccc2N)C1 86687563 573574190 /nfs/dbraw/zinc/57/41/90/573574190.db2.gz QGBLDOZGCGHMQS-UHFFFAOYSA-N 0 0 196.681 2.378 10 0 AEAERN COc1ccc(N)cc1NC(C)C 86687676 573574207 /nfs/dbraw/zinc/57/42/07/573574207.db2.gz IPPUYCZVVXHECZ-UHFFFAOYSA-N 0 0 180.251 2.098 10 0 AEAERN Cc1ccc(N)c(C)c1N1CC(C)C1 86687750 573574216 /nfs/dbraw/zinc/57/42/16/573574216.db2.gz MCIVZBLPSQVLID-UHFFFAOYSA-N 0 0 190.290 2.342 10 0 AEAERN Fc1cc2c(cc1Cl)C[NH2+]C2 145269450 573574246 /nfs/dbraw/zinc/57/42/46/573574246.db2.gz XNXGLILTXTUGQR-UHFFFAOYSA-N 0 0 171.602 2.082 10 0 AEAERN Cc1ccc(N2CC3(CC3)C2)cc1N 86687721 573574263 /nfs/dbraw/zinc/57/42/63/573574263.db2.gz FWAJRJSQAAYSAW-UHFFFAOYSA-N 0 0 188.274 2.177 10 0 AEAERN CC(=O)[C@]1(C)CC=C[C@@H]1C 238444901 573574268 /nfs/dbraw/zinc/57/42/68/573574268.db2.gz DSDWOCRKLIYLRD-IONNQARKSA-N 0 0 138.210 2.178 10 0 AEAERN Cc1cc(N)ccc1N1CC2(CC2)C1 86687314 573574269 /nfs/dbraw/zinc/57/42/69/573574269.db2.gz ULCRDGWDFUFETE-UHFFFAOYSA-N 0 0 188.274 2.177 10 0 AEAERN CCCOCC[C@@H](C)[C@H](O)CC 233228648 573574387 /nfs/dbraw/zinc/57/43/87/573574387.db2.gz VOMVITQUXMFCQE-NXEZZACHSA-N 0 0 174.284 2.210 10 0 AEAERN C[C@@H]1C[C@@]12CCC1(CC1)C2=O 238445133 573574409 /nfs/dbraw/zinc/57/44/09/573574409.db2.gz YZDIXUQXVCZCJY-XCBNKYQSSA-N 0 0 150.221 2.156 10 0 AEAERN O=Cc1ccc2c(c1)[C@H](O)CCS2 257832431 573574431 /nfs/dbraw/zinc/57/44/31/573574431.db2.gz JTCQRJVCLSHABD-SECBINFHSA-N 0 0 194.255 2.028 10 0 AEAERN CC[C@@H](C)Nc1ccc(OC)cc1N 86687503 573574456 /nfs/dbraw/zinc/57/44/56/573574456.db2.gz ACDZEOMIFCSCMO-MRVPVSSYSA-N 0 0 194.278 2.488 10 0 AEAERN Cc1cc(N)ccc1N1CC[C@@H]1C 86687317 573574471 /nfs/dbraw/zinc/57/44/71/573574471.db2.gz CFZCFPTZBZUXRD-VIFPVBQESA-N 0 0 176.263 2.176 10 0 AEAERN Cc1c(N)cccc1N1CC(C)(C)C1 86687599 573574486 /nfs/dbraw/zinc/57/44/86/573574486.db2.gz PCGOIZPBPRFDGF-UHFFFAOYSA-N 0 0 190.290 2.423 10 0 AEAERN C[C@H](O)Cc1ccc(F)c(F)c1F 258065080 573574532 /nfs/dbraw/zinc/57/45/32/573574532.db2.gz LVZUCIBVQFGOAW-YFKPBYRVSA-N 0 0 190.164 2.027 10 0 AEAERN CC[C@H](C)Nc1cc(N)ccc1OC 86687658 573574587 /nfs/dbraw/zinc/57/45/87/573574587.db2.gz IDDKUICEYADKJV-QMMMGPOBSA-N 0 0 194.278 2.488 10 0 AEAERN C[C@@]1(O)CNc2cc(Cl)ccc2C1 257832435 573574619 /nfs/dbraw/zinc/57/46/19/573574619.db2.gz JTPNKFHATBIMQF-JTQLQIEISA-N 0 0 197.665 2.059 10 0 AEAERN C[C@@H]1C[C@@]12CCCCC2=O 238444999 573574629 /nfs/dbraw/zinc/57/46/29/573574629.db2.gz HJWVPDLURDCESB-APPZFPTMSA-N 0 0 138.210 2.156 10 0 AEAERN CCC1CN(c2cccc(N)c2C)C1 86687595 573574671 /nfs/dbraw/zinc/57/46/71/573574671.db2.gz ARKBXRMEBJLJHQ-UHFFFAOYSA-N 0 0 190.290 2.423 10 0 AEAERN Nc1cccc(C[C@H]2CCCOC2)c1 257829765 573574679 /nfs/dbraw/zinc/57/46/79/573574679.db2.gz IVXAIYPXIICODV-LLVKDONJSA-N 0 0 191.274 2.238 10 0 AEAERN COC(=O)[C@]1(C)CC12CCCC2 259515082 573574690 /nfs/dbraw/zinc/57/46/90/573574690.db2.gz CJVZYVMCTVWHKX-VIFPVBQESA-N 0 0 168.236 2.130 10 0 AEAERN CCC(=O)C(Cl)(Cl)Cl 107403799 573574698 /nfs/dbraw/zinc/57/46/98/573574698.db2.gz ZJYIVQQAVUHTJE-UHFFFAOYSA-N 0 0 175.442 2.336 10 0 AEAERN C[C@H](O)c1conc1-c1ccccc1 238444700 573574825 /nfs/dbraw/zinc/57/48/25/573574825.db2.gz QNDQAUBMYRBTEX-QMMMGPOBSA-N 0 0 189.214 2.395 10 0 AEAERN Cc1cc(N2CC(C)C2)ccc1N 86688151 573576568 /nfs/dbraw/zinc/57/65/68/573576568.db2.gz LRKQIVDPAQWMPL-UHFFFAOYSA-N 0 0 176.263 2.033 10 0 AEAERN CC(C)CC(=O)c1ccc(F)cn1 86704419 573576594 /nfs/dbraw/zinc/57/65/94/573576594.db2.gz ZQXPRERWWXDEIO-UHFFFAOYSA-N 0 0 181.210 2.450 10 0 AEAERN CC[C@@H](C)[C@H](NC)C(F)(F)F 78678343 573575747 /nfs/dbraw/zinc/57/57/47/573575747.db2.gz UQZBQYCPIPLQDO-RITPCOANSA-N 0 0 169.190 2.183 10 0 AEAERN CCOC(=O)c1ccc(C(C)C)n1C 259615654 573575749 /nfs/dbraw/zinc/57/57/49/573575749.db2.gz NBVSJQKDMVQWER-UHFFFAOYSA-N 0 0 195.262 2.325 10 0 AEAERN Nc1cc(N2CCCC2)c(F)cc1F 86688365 573575770 /nfs/dbraw/zinc/57/57/70/573575770.db2.gz GHYHIJNSCRNMTE-UHFFFAOYSA-N 0 0 198.216 2.147 10 0 AEAERN CC(C)=CCC/C(C)=C\C[C@@H](O)CO 308635781 573575811 /nfs/dbraw/zinc/57/58/11/573575811.db2.gz YLCFKVWHSQDZLE-SEVUFMINSA-N 0 0 198.306 2.422 10 0 AEAERN Cc1ccccc1CCNC(=O)S 258790951 573575932 /nfs/dbraw/zinc/57/59/32/573575932.db2.gz ZOVBTETVHAYMBA-UHFFFAOYSA-N 0 0 195.287 2.177 10 0 AEAERN O=C(S)NCCc1ccccc1F 258792544 573575943 /nfs/dbraw/zinc/57/59/43/573575943.db2.gz ZUSNKSIFQPURHW-UHFFFAOYSA-N 0 0 199.250 2.008 10 0 AEAERN COC(=O)[C@@H]1[C@@H](c2ccco2)C1(C)C 259517172 573575952 /nfs/dbraw/zinc/57/59/52/573575952.db2.gz CSRGWDKLZCQVEY-BDAKNGLRSA-N 0 0 194.230 2.192 10 0 AEAERN Cc1cc(N)c(N2CC(C)C2)cc1C 86688212 573576628 /nfs/dbraw/zinc/57/66/28/573576628.db2.gz MVFXPFFAMHAZEP-UHFFFAOYSA-N 0 0 190.290 2.342 10 0 AEAERN CC[C@@H]1CC=CC[C@@H](CC)[C@H](O)C1=O 308637120 573576115 /nfs/dbraw/zinc/57/61/15/573576115.db2.gz ZSZYJVRAFQZOTR-MXWKQRLJSA-N 0 0 196.290 2.319 10 0 AEAERN Cc1cc(C)cc(C(=O)CN(C)C)c1 78677167 573576136 /nfs/dbraw/zinc/57/61/36/573576136.db2.gz TUTIMYDZHXBVOC-UHFFFAOYSA-N 0 0 191.274 2.048 10 0 AEAERN c1cc2ccc(-c3ncon3)cc2[nH]1 144305903 573576144 /nfs/dbraw/zinc/57/61/44/573576144.db2.gz NWRYCGZXESUSCD-UHFFFAOYSA-N 0 0 185.186 2.218 10 0 AEAERN CC(C)C[C@H]([NH3+])C1(C(=O)[O-])CCCC1 308636043 573576161 /nfs/dbraw/zinc/57/61/61/573576161.db2.gz AZKZNBLPPDREDM-VIFPVBQESA-N 0 0 199.294 2.005 10 0 AEAERN C[C@@H]1[C@@H](O)CC[C@@H]1C1CCC(=O)CC1 238444551 573576209 /nfs/dbraw/zinc/57/62/09/573576209.db2.gz FJECOLXWSPLKJE-UWJYBYFXSA-N 0 0 196.290 2.153 10 0 AEAERN CCO[C@H](C)c1cccn1C 95931872 573576217 /nfs/dbraw/zinc/57/62/17/573576217.db2.gz OEFIJLVMHWVWLR-MRVPVSSYSA-N 0 0 153.225 2.123 10 0 AEAERN C[C@@H]1c2ccccc2[C@H](O)[C@@H]2C[C@H]12 238444992 573576224 /nfs/dbraw/zinc/57/62/24/573576224.db2.gz VQYHWBPUECRUBC-PUYANOKMSA-N 0 0 174.243 2.473 10 0 AEAERN C[C@@H]1CCCC(=O)[C@]1(C)Cl 238444572 573576297 /nfs/dbraw/zinc/57/62/97/573576297.db2.gz CMFGWRJSKCCZIF-HTRCEHHLSA-N 0 0 160.644 2.373 10 0 AEAERN C[C@H]1CN[C@H](c2ccco2)C1(F)F 238445328 573576306 /nfs/dbraw/zinc/57/63/06/573576306.db2.gz ADVQKUAPCOVICG-POYBYMJQSA-N 0 0 187.189 2.195 10 0 AEAERN Cc1cc(N2CC[C@H]2C)ccc1N 86688166 573576413 /nfs/dbraw/zinc/57/64/13/573576413.db2.gz OOWNZVQNCQGEMD-SECBINFHSA-N 0 0 176.263 2.176 10 0 AEAERN C[C@H]1[C@@H](CO)CCC1(C)C 238444843 573576414 /nfs/dbraw/zinc/57/64/14/573576414.db2.gz WQHVOGVXXHWNFQ-JGVFFNPUSA-N 0 0 142.242 2.051 10 0 AEAERN CSc1ccc(C(=O)C2CC2)[nH]1 75460411 573576554 /nfs/dbraw/zinc/57/65/54/573576554.db2.gz PCDQDERIVXFMIL-UHFFFAOYSA-N 0 0 181.260 2.329 10 0 AEAERN Nc1cc(C2CCCC2)sn1 107404334 573577806 /nfs/dbraw/zinc/57/78/06/573577806.db2.gz ATSFGDDORCZPCI-UHFFFAOYSA-N 0 0 168.265 2.383 10 0 AEAERN Cc1ccc(N)c(C)c1N1CC[C@H]1C 86687769 573577821 /nfs/dbraw/zinc/57/78/21/573577821.db2.gz LOHXGAJZOUECIE-SECBINFHSA-N 0 0 190.290 2.484 10 0 AEAERN On1cc(-c2ccccc2)[nH]c1=S 144373250 573577647 /nfs/dbraw/zinc/57/76/47/573577647.db2.gz TUSSIJPSXCSXCJ-UHFFFAOYSA-N 0 0 192.243 2.450 10 0 AEAERN COC(=O)[C@H]1[C@@H](c2ccco2)C1(C)C 259517178 573577673 /nfs/dbraw/zinc/57/76/73/573577673.db2.gz CSRGWDKLZCQVEY-RKDXNWHRSA-N 0 0 194.230 2.192 10 0 AEAERN Cc1cc(F)cc(CC[C@H](C)O)c1 86694141 573577708 /nfs/dbraw/zinc/57/77/08/573577708.db2.gz JXFFBOMSSJMRIL-VIFPVBQESA-N 0 0 182.238 2.448 10 0 AEAERN CC[C@H](C)[C@@H](NC)C(F)(F)F 78678363 573577753 /nfs/dbraw/zinc/57/77/53/573577753.db2.gz UQZBQYCPIPLQDO-NTSWFWBYSA-N 0 0 169.190 2.183 10 0 AEAERN CC[C@@](O)(Cc1ccco1)C1CC1 130438068 573577727 /nfs/dbraw/zinc/57/77/27/573577727.db2.gz XAFNQXFCJPHOIQ-LLVKDONJSA-N 0 0 180.247 2.373 10 0 AEAERN CC(=O)N[C@@H]1[C@H](C)CCCC1(C)C 238445324 573577743 /nfs/dbraw/zinc/57/77/43/573577743.db2.gz LAECRDKUGIRDIY-PSASIEDQSA-N 0 0 183.295 2.337 10 0 AEAERN Clc1nc(-c2ccco2)ns1 83645975 573579383 /nfs/dbraw/zinc/57/93/83/573579383.db2.gz RBKUKEVXODXZKX-UHFFFAOYSA-N 0 0 186.623 2.452 10 0 AEAERN Cc1ccc(N2CC(C)C2)c(N)c1 86687779 573577911 /nfs/dbraw/zinc/57/79/11/573577911.db2.gz IPRSYIHOIZZXHO-UHFFFAOYSA-N 0 0 176.263 2.033 10 0 AEAERN CC[C@H]1CC=CC[C@@H](CC)C(=O)[C@@H]1O 308637119 573577914 /nfs/dbraw/zinc/57/79/14/573577914.db2.gz ZSZYJVRAFQZOTR-HBNTYKKESA-N 0 0 196.290 2.319 10 0 AEAERN Cc1ccc(N2CC[C@H]2C)c(N)c1 86687794 573577919 /nfs/dbraw/zinc/57/79/19/573577919.db2.gz ZYHNMNLENUPDCV-SECBINFHSA-N 0 0 176.263 2.176 10 0 AEAERN O[C@@H](CC1CCC1)c1ccc(F)cn1 86704976 573577925 /nfs/dbraw/zinc/57/79/25/573577925.db2.gz PRXCBCWFBQUZNY-NSHDSACASA-N 0 0 195.237 2.444 10 0 AEAERN CC1CN(c2cc(N)c(F)cc2F)C1 86688344 573577948 /nfs/dbraw/zinc/57/79/48/573577948.db2.gz QDBKDDZGKGFVHS-UHFFFAOYSA-N 0 0 198.216 2.003 10 0 AEAERN O[C@@H](CC1CC1)c1ccc(F)cn1 86704929 573577984 /nfs/dbraw/zinc/57/79/84/573577984.db2.gz AKCMXZIMYDQJKJ-JTQLQIEISA-N 0 0 181.210 2.054 10 0 AEAERN c1csc(CNc2ncns2)c1 83652704 573578004 /nfs/dbraw/zinc/57/80/04/573578004.db2.gz SNUBKEQKQLOTIE-UHFFFAOYSA-N 0 0 197.288 2.212 10 0 AEAERN Cc1cc(N)c(N2CC[C@@H]2C)cc1C 86688225 573578013 /nfs/dbraw/zinc/57/80/13/573578013.db2.gz YIISPWLZZIXJQE-JTQLQIEISA-N 0 0 190.290 2.484 10 0 AEAERN CC(C)c1nnn(C2CCCC2)c1N 257833061 573578014 /nfs/dbraw/zinc/57/80/14/573578014.db2.gz JZHBMZPAVLHZSF-UHFFFAOYSA-N 0 0 194.282 2.099 10 0 AEAERN CCCC(=O)c1ccc(F)cn1 86704370 573578041 /nfs/dbraw/zinc/57/80/41/573578041.db2.gz FIGCSPLPWVQKCT-UHFFFAOYSA-N 0 0 167.183 2.204 10 0 AEAERN Cc1c[nH]c(=O)c2ccc(Cl)cc12 95931276 573578051 /nfs/dbraw/zinc/57/80/51/573578051.db2.gz ZZNYPBFELAILCJ-UHFFFAOYSA-N 0 0 193.633 2.490 10 0 AEAERN CC[C@@](O)(Cc1ccoc1)C1CC1 130437646 573579859 /nfs/dbraw/zinc/57/98/59/573579859.db2.gz SLFNSFVESUUWDP-LLVKDONJSA-N 0 0 180.247 2.373 10 0 AEAERN Cc1ccc(C(=O)CN)c(C)c1Cl 214918190 573578063 /nfs/dbraw/zinc/57/80/63/573578063.db2.gz YDYCAVXDOMLWEV-UHFFFAOYSA-N 0 0 197.665 2.098 10 0 AEAERN CCOC(=O)N(C)[C@@H](C)C1CCC1 308401223 573578073 /nfs/dbraw/zinc/57/80/73/573578073.db2.gz HCLXPORVQZMFGK-QMMMGPOBSA-N 0 0 185.267 2.263 10 0 AEAERN COC(=O)[C@H]1[C@H](c2ccco2)C1(C)C 259517174 573578118 /nfs/dbraw/zinc/57/81/18/573578118.db2.gz CSRGWDKLZCQVEY-DTWKUNHWSA-N 0 0 194.230 2.192 10 0 AEAERN CCOC/C=C\c1ccc(CO)cc1 308637169 573578120 /nfs/dbraw/zinc/57/81/20/573578120.db2.gz ZZPACNUMMQCEMZ-ARJAWSKDSA-N 0 0 192.258 2.229 10 0 AEAERN CCNc1nc(C2CCC2)ns1 83646323 573578173 /nfs/dbraw/zinc/57/81/73/573578173.db2.gz OBVCOSNHLDGVQT-UHFFFAOYSA-N 0 0 183.280 2.237 10 0 AEAERN OCCCc1nc(CC2CC2)cs1 308401552 573578176 /nfs/dbraw/zinc/57/81/76/573578176.db2.gz IQWSDDKQXHHQND-UHFFFAOYSA-N 0 0 197.303 2.021 10 0 AEAERN CN[C@@H](c1ccoc1)C(F)(F)F 78678383 573578224 /nfs/dbraw/zinc/57/82/24/573578224.db2.gz XBMQBLRXOIUDIO-LURJTMIESA-N 0 0 179.141 2.102 10 0 AEAERN CNc1nc(CC(C)(C)C)ns1 83646084 573578227 /nfs/dbraw/zinc/57/82/27/573578227.db2.gz MDEFWGDVVLIQGV-UHFFFAOYSA-N 0 0 185.296 2.168 10 0 AEAERN C[C@@H]1CCCC[C@@]1(O)[C@@H]1CCCOC1 224945046 573578232 /nfs/dbraw/zinc/57/82/32/573578232.db2.gz ULEXQOWQWVERLQ-UTUOFQBUSA-N 0 0 198.306 2.354 10 0 AEAERN CCC1CN(c2ccc(N)c(C)c2)C1 86688149 573578240 /nfs/dbraw/zinc/57/82/40/573578240.db2.gz KBJBSWRFEBLKPV-UHFFFAOYSA-N 0 0 190.290 2.423 10 0 AEAERN CCNc1nc(-c2ccoc2)ns1 83646410 573578246 /nfs/dbraw/zinc/57/82/46/573578246.db2.gz ZAHXZPXKERWVRZ-UHFFFAOYSA-N 0 0 195.247 2.230 10 0 AEAERN C[C@@H](Nc1ncns1)c1ccco1 83653160 573578348 /nfs/dbraw/zinc/57/83/48/573578348.db2.gz PHNJSMSNQQVJSS-ZCFIWIBFSA-N 0 0 195.247 2.304 10 0 AEAERN CC(=O)N(C)c1c[nH]c2ccccc12 258790054 573578383 /nfs/dbraw/zinc/57/83/83/573578383.db2.gz NXRLTIIRBMFIFT-UHFFFAOYSA-N 0 0 188.230 2.151 10 0 AEAERN CSC[C@H](CO)Cc1ccccc1 258065742 573578832 /nfs/dbraw/zinc/57/88/32/573578832.db2.gz IJMHACCZXOGPFT-NSHDSACASA-N 0 0 196.315 2.201 10 0 AEAERN C[C@H]1CCCN1c1ccccc1O 238445634 573578406 /nfs/dbraw/zinc/57/84/06/573578406.db2.gz OSSNKTJWWLVRNI-VIFPVBQESA-N 0 0 177.247 2.381 10 0 AEAERN Oc1cc(F)cc(N2CCCC2)c1 144461019 573578440 /nfs/dbraw/zinc/57/84/40/573578440.db2.gz OSPGQQFBODVGHJ-UHFFFAOYSA-N 0 0 181.210 2.132 10 0 AEAERN COC(=O)N(C)CCC1CCCC1 258796101 573578459 /nfs/dbraw/zinc/57/84/59/573578459.db2.gz OMICSHUERRXSNU-UHFFFAOYSA-N 0 0 185.267 2.265 10 0 AEAERN C1=Cc2ccccc2C=NO1 144354986 573578462 /nfs/dbraw/zinc/57/84/62/573578462.db2.gz CDTXPKZPDYZYTN-UHFFFAOYSA-N 0 0 145.161 2.021 10 0 AEAERN CC(C)(C)C(=O)c1ccc(F)cn1 86704589 573578491 /nfs/dbraw/zinc/57/84/91/573578491.db2.gz HRTYHFGEDANMJH-UHFFFAOYSA-N 0 0 181.210 2.450 10 0 AEAERN CCC1(CC)[C@@H](C(=O)OC)C12CC2 259516217 573578504 /nfs/dbraw/zinc/57/85/04/573578504.db2.gz CNAWDGZLJCTFIQ-MRVPVSSYSA-N 0 0 182.263 2.376 10 0 AEAERN C/C=C\COc1ccc(OC)c(N)c1 308401574 573578519 /nfs/dbraw/zinc/57/85/19/573578519.db2.gz RTBRQECCEINEPJ-ARJAWSKDSA-N 0 0 193.246 2.232 10 0 AEAERN CC1=CCCC(C)(C)[C@@]1(O)/C=C\CO 308636059 573578520 /nfs/dbraw/zinc/57/85/20/573578520.db2.gz YZGOOULCMSYGKX-VVEJJEBESA-N 0 0 196.290 2.032 10 0 AEAERN COC(=O)c1[nH]cc(Cl)c1Cl 144304269 573578524 /nfs/dbraw/zinc/57/85/24/573578524.db2.gz QOWPRHXYURDOBN-UHFFFAOYSA-N 0 0 194.017 2.108 10 0 AEAERN C[C@@H]1CCC2C(=NC(=O)NC2(C)C)C1 238440427 573578572 /nfs/dbraw/zinc/57/85/72/573578572.db2.gz QIBFFTCCEIVKFU-SSDOTTSWSA-N 0 0 194.278 2.152 10 0 AEAERN On1c(-c2ccccc2)c[nH]c1=S 144373073 573578598 /nfs/dbraw/zinc/57/85/98/573578598.db2.gz IBLQRXYNJQKRGV-UHFFFAOYSA-N 0 0 192.243 2.450 10 0 AEAERN CC(=O)Nc1c(Cl)cccc1C=O 214914427 573578620 /nfs/dbraw/zinc/57/86/20/573578620.db2.gz UKXZJBUIUYOBCH-UHFFFAOYSA-N 0 0 197.621 2.111 10 0 AEAERN CC(=O)c1cnc(Cc2ccco2)o1 258065176 573578623 /nfs/dbraw/zinc/57/86/23/573578623.db2.gz LPCUHNFFKCFUOV-UHFFFAOYSA-N 0 0 191.186 2.061 10 0 AEAERN CCCNc1nc(C(C)C)ns1 83646546 573578637 /nfs/dbraw/zinc/57/86/37/573578637.db2.gz ZDLIOMWDNHLPIG-UHFFFAOYSA-N 0 0 185.296 2.483 10 0 AEAERN C[C@@H]1C[C@H]2C(=O)C(C)(C)[C@@H]2C1 238441501 573578645 /nfs/dbraw/zinc/57/86/45/573578645.db2.gz HUNYKTNTBMXHSF-BWZBUEFSSA-N 0 0 152.237 2.258 10 0 AEAERN CO[C@H](C)C(=O)c1cc(C)cc(F)c1 86693074 573578689 /nfs/dbraw/zinc/57/86/89/573578689.db2.gz MCDLLYBIZOHGET-MRVPVSSYSA-N 0 0 196.221 2.352 10 0 AEAERN O=C(CC1CC1)c1ccc(F)cn1 86704330 573578715 /nfs/dbraw/zinc/57/87/15/573578715.db2.gz WNILJWXOSYXBSL-UHFFFAOYSA-N 0 0 179.194 2.204 10 0 AEAERN CC[C@H](C)C(=O)c1ccc(F)cn1 86704329 573578732 /nfs/dbraw/zinc/57/87/32/573578732.db2.gz HRMBIPYYXBCQEY-ZETCQYMHSA-N 0 0 181.210 2.450 10 0 AEAERN Cc1c(C(F)F)ccnc1C=O 238440982 573578739 /nfs/dbraw/zinc/57/87/39/573578739.db2.gz GWIOKMIVUMQREA-UHFFFAOYSA-N 0 0 171.146 2.140 10 0 AEAERN CNc1nc(CCC(C)C)ns1 83646224 573578751 /nfs/dbraw/zinc/57/87/51/573578751.db2.gz GJKJAKMLPDGLRJ-UHFFFAOYSA-N 0 0 185.296 2.168 10 0 AEAERN C[C@@H]1CC[C@@H](C)N1c1ccc(N)cn1 238440473 573578777 /nfs/dbraw/zinc/57/87/77/573578777.db2.gz XNRLKWOLLPIQJI-RKDXNWHRSA-N 0 0 191.278 2.041 10 0 AEAERN Nc1ccccc1NCc1cc[nH]c1 258793424 573578784 /nfs/dbraw/zinc/57/87/84/573578784.db2.gz MPYMDARVNGXNHS-UHFFFAOYSA-N 0 0 187.246 2.209 10 0 AEAERN CCC(CC)S/C=C/CO 224941387 573578838 /nfs/dbraw/zinc/57/88/38/573578838.db2.gz PGJKUTXTCJOUSU-FNORWQNLSA-N 0 0 160.282 2.414 10 0 AEAERN CSc1cc(C)nc(C2CC2)n1 144306703 573578866 /nfs/dbraw/zinc/57/88/66/573578866.db2.gz PEDQZPCDTXRTDG-UHFFFAOYSA-N 0 0 180.276 2.384 10 0 AEAERN CCc1ccc(N2CC(C)C2)cc1N 86687996 573578877 /nfs/dbraw/zinc/57/88/77/573578877.db2.gz WGJQOYJRBWDBDO-UHFFFAOYSA-N 0 0 190.290 2.287 10 0 AEAERN C/C=C\CCNc1ncnc(C)c1F 308401632 573578890 /nfs/dbraw/zinc/57/88/90/573578890.db2.gz TWNZOGRNEKBWLA-ARJAWSKDSA-N 0 0 195.241 2.302 10 0 AEAERN CO[C@@H](C)C(=O)c1cc(C)cc(F)c1 86693076 573578904 /nfs/dbraw/zinc/57/89/04/573578904.db2.gz MCDLLYBIZOHGET-QMMMGPOBSA-N 0 0 196.221 2.352 10 0 AEAERN C[C@@H](O)[C@]1(C)CC=CCC1 238441576 573578939 /nfs/dbraw/zinc/57/89/39/573578939.db2.gz JDONZNQQNRMQCE-RKDXNWHRSA-N 0 0 140.226 2.114 10 0 AEAERN Cc1[nH+]cc2cc(Cl)ccn12 258503328 573578966 /nfs/dbraw/zinc/57/89/66/573578966.db2.gz ZEQWKAQWFCBNBF-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN Cc1cc(C)c(C(=O)CN)c(Cl)c1 214918332 573578972 /nfs/dbraw/zinc/57/89/72/573578972.db2.gz KDJBXVNYOKKDGK-UHFFFAOYSA-N 0 0 197.665 2.098 10 0 AEAERN CC1=C[C@H](C)C(=O)NC(C)=C1Cl 238441432 573578994 /nfs/dbraw/zinc/57/89/94/573578994.db2.gz RWFMPGDLQZIBPW-LURJTMIESA-N 0 0 185.654 2.169 10 0 AEAERN CSC[C@@H](CO)Cc1ccccc1 258065741 573579027 /nfs/dbraw/zinc/57/90/27/573579027.db2.gz IJMHACCZXOGPFT-LLVKDONJSA-N 0 0 196.315 2.201 10 0 AEAERN C/C=C\COc1cc(C(C)=O)ccn1 211813623 573579028 /nfs/dbraw/zinc/57/90/28/573579028.db2.gz JTADPNSAAPCHOB-ARJAWSKDSA-N 0 0 191.230 2.239 10 0 AEAERN O[C@@H]1Cc2c1cccc2C(F)(F)F 257833067 573579055 /nfs/dbraw/zinc/57/90/55/573579055.db2.gz JZQYZSVOMMSJNB-MRVPVSSYSA-N 0 0 188.148 2.295 10 0 AEAERN O=C1C[C@H](c2ccc(C(F)F)cc2)N1 124690857 573579063 /nfs/dbraw/zinc/57/90/63/573579063.db2.gz SNSKFLMHQXTTST-MRVPVSSYSA-N 0 0 197.184 2.185 10 0 AEAERN CN[C@H](c1ccoc1)C(F)(F)F 78678387 573579141 /nfs/dbraw/zinc/57/91/41/573579141.db2.gz XBMQBLRXOIUDIO-ZCFIWIBFSA-N 0 0 179.141 2.102 10 0 AEAERN C1CC(c2nsc(NC3CC3)n2)C1 83646827 573579181 /nfs/dbraw/zinc/57/91/81/573579181.db2.gz DALUEUJLJHZFCZ-UHFFFAOYSA-N 0 0 195.291 2.380 10 0 AEAERN CCCCn1ncc(NC)c1CC 308401207 573579220 /nfs/dbraw/zinc/57/92/20/573579220.db2.gz HBKFWJYJQMMWPG-UHFFFAOYSA-N 0 0 181.283 2.287 10 0 AEAERN CO[C@@H](C)[C@H](O)c1cc(C)cc(F)c1 86693228 573579228 /nfs/dbraw/zinc/57/92/28/573579228.db2.gz QFOKVNBEADEQGM-KWQFWETISA-N 0 0 198.237 2.202 10 0 AEAERN Cc1ccc(N(C)[C@H](CO)C(C)C)o1 258792107 573579261 /nfs/dbraw/zinc/57/92/61/573579261.db2.gz JJSLTZRFNIIQRF-SNVBAGLBSA-N 0 0 197.278 2.041 10 0 AEAERN CNc1nc(-c2ccsc2)ns1 83646172 573579314 /nfs/dbraw/zinc/57/93/14/573579314.db2.gz DNQGGYSFFBWEEM-UHFFFAOYSA-N 0 0 197.288 2.308 10 0 AEAERN Cc1cc(N2CC3(CC3)C2)ccc1N 86688160 573579348 /nfs/dbraw/zinc/57/93/48/573579348.db2.gz NQHQTVPOGDMMQL-UHFFFAOYSA-N 0 0 188.274 2.177 10 0 AEAERN CCNc1nc([C@@H](C)CC)ns1 83646362 573579377 /nfs/dbraw/zinc/57/93/77/573579377.db2.gz VSHSWOVKMMZCRS-LURJTMIESA-N 0 0 185.296 2.483 10 0 AEAERN CN[C@@H](CC(C)C)C(F)(F)F 78678366 573579391 /nfs/dbraw/zinc/57/93/91/573579391.db2.gz WIJOAJGYJPBNOA-LURJTMIESA-N 0 0 169.190 2.183 10 0 AEAERN CNc1ccc2[nH]c(=O)c(C)cc2c1 259114128 573579410 /nfs/dbraw/zinc/57/94/10/573579410.db2.gz GQYMWDSZPMDERF-UHFFFAOYSA-N 0 0 188.230 2.291 10 0 AEAERN Nc1c(C2CC2)sc2ncncc12 75465051 573579413 /nfs/dbraw/zinc/57/94/13/573579413.db2.gz CUPVMIQPBCDKKX-UHFFFAOYSA-N 0 0 191.259 2.151 10 0 AEAERN C[C@@H]1CC[C@@H](C)[C@@](C)(CO)C1 238440844 573579431 /nfs/dbraw/zinc/57/94/31/573579431.db2.gz TVRHWJIXWRDCJG-OPRDCNLKSA-N 0 0 156.269 2.441 10 0 AEAERN CC[C@H](C)[C@@H](O)c1ccc(F)cn1 86704969 573579433 /nfs/dbraw/zinc/57/94/33/573579433.db2.gz UMBXJMGNGJZRMM-OIBJUYFYSA-N 0 0 183.226 2.300 10 0 AEAERN O=Cc1cc2c(s1)CCSC2 75464536 573579434 /nfs/dbraw/zinc/57/94/34/573579434.db2.gz YWBIDCRPUQBUBQ-UHFFFAOYSA-N 0 0 184.285 2.350 10 0 AEAERN CSCc1nsc(Cl)n1 83645898 573579452 /nfs/dbraw/zinc/57/94/52/573579452.db2.gz RMTNMQJNDBSWIQ-UHFFFAOYSA-N 0 0 180.685 2.055 10 0 AEAERN CCc1sc2nc(C)ncc2c1N 75465090 573579457 /nfs/dbraw/zinc/57/94/57/573579457.db2.gz CNUQVKQWAHNIDD-UHFFFAOYSA-N 0 0 193.275 2.144 10 0 AEAERN CCC1CN(c2ccc(C)cc2N)C1 86687777 573579466 /nfs/dbraw/zinc/57/94/66/573579466.db2.gz HBWFERYXRBIUHZ-UHFFFAOYSA-N 0 0 190.290 2.423 10 0 AEAERN 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144382639 573581405 /nfs/dbraw/zinc/58/14/05/573581405.db2.gz MUQPHKUEVZUMMH-UHFFFAOYSA-N 0 0 185.186 2.218 10 0 AEAERN CC1CCC(O)([C@@H]2CCCOC2)CC1 224944306 573581418 /nfs/dbraw/zinc/58/14/18/573581418.db2.gz QRNPNVPRDYBTCU-MOENNCHZSA-N 0 0 198.306 2.354 10 0 AEAERN c1nsc(NCC2CCCC2)n1 83652818 573581441 /nfs/dbraw/zinc/58/14/41/573581441.db2.gz CANNKROUIAUXLC-UHFFFAOYSA-N 0 0 183.280 2.140 10 0 AEAERN CN(C)c1cc(Cl)cc(C=O)c1 144327380 573581459 /nfs/dbraw/zinc/58/14/59/573581459.db2.gz QNOFKTPQLMNHKG-UHFFFAOYSA-N 0 0 183.638 2.219 10 0 AEAERN Cc1c2cccccc-2nc1C=O 238440551 573581473 /nfs/dbraw/zinc/58/14/73/573581473.db2.gz FVGWFKQMLQPDGQ-UHFFFAOYSA-N 0 0 171.199 2.307 10 0 AEAERN COC(=O)[C@@H]1[C@H](c2ccco2)C1(C)C 259517176 573581507 /nfs/dbraw/zinc/58/15/07/573581507.db2.gz CSRGWDKLZCQVEY-IUCAKERBSA-N 0 0 194.230 2.192 10 0 AEAERN Cc1c(C(F)(F)F)ccnc1C=O 238440955 573581552 /nfs/dbraw/zinc/58/15/52/573581552.db2.gz SJDXWXIUMIPYJP-UHFFFAOYSA-N 0 0 189.136 2.221 10 0 AEAERN C[C@@H]1CCC[C@@](O)([C@@H]2CCCOC2)C1 224943923 573581651 /nfs/dbraw/zinc/58/16/51/573581651.db2.gz USXNAVZFTDVIGK-UTUOFQBUSA-N 0 0 198.306 2.354 10 0 AEAERN CC[C@@H](C)CNc1nc(C)ns1 83648588 573581692 /nfs/dbraw/zinc/58/16/92/573581692.db2.gz MPDSYUNCVQYORI-ZCFIWIBFSA-N 0 0 185.296 2.305 10 0 AEAERN CCCCCNc1ncns1 83652220 573581708 /nfs/dbraw/zinc/58/17/08/573581708.db2.gz HYKWPQCKIPMQHW-UHFFFAOYSA-N 0 0 171.269 2.140 10 0 AEAERN CC[C@@H](C)c1nsc(NC)n1 83646132 573581766 /nfs/dbraw/zinc/58/17/66/573581766.db2.gz GHEUNTRTPPVNOC-RXMQYKEDSA-N 0 0 171.269 2.093 10 0 AEAERN CCCOCCC(C)(C)C(N)=S 83638488 573581827 /nfs/dbraw/zinc/58/18/27/573581827.db2.gz IMEPLZCIHNCPGJ-UHFFFAOYSA-N 0 0 189.324 2.115 10 0 AEAERN C[C@H]1[C@H](O)c2ccccc2C12CC2 238440593 573581832 /nfs/dbraw/zinc/58/18/32/573581832.db2.gz CQWGGEJANZWDAJ-KWQFWETISA-N 0 0 174.243 2.401 10 0 AEAERN O=C1c2ccccc2OC12CCC2 107407316 573581836 /nfs/dbraw/zinc/58/18/36/573581836.db2.gz FNCLLWKMYNLKHK-UHFFFAOYSA-N 0 0 174.199 2.184 10 0 AEAERN C[C@H](Nc1ncns1)c1ccco1 83653158 573581864 /nfs/dbraw/zinc/58/18/64/573581864.db2.gz PHNJSMSNQQVJSS-LURJTMIESA-N 0 0 195.247 2.304 10 0 AEAERN CC1=C[C@H](C)[C@@H]2CCC(=O)[C@@H]12 238442292 573583476 /nfs/dbraw/zinc/58/34/76/573583476.db2.gz HFMJJOVGUYYJDP-HKPALBBZSA-N 0 0 150.221 2.178 10 0 AEAERN CC(=O)C[C@@H](C)c1ccccc1O 107409446 573581907 /nfs/dbraw/zinc/58/19/07/573581907.db2.gz PNELTBUAMVXFLV-MRVPVSSYSA-N 0 0 178.231 2.475 10 0 AEAERN Cc1ccc2c(c1)OC[C@H](C)C2=O 107408056 573581965 /nfs/dbraw/zinc/58/19/65/573581965.db2.gz LPYYAMIUPGOXDG-QMMMGPOBSA-N 0 0 176.215 2.206 10 0 AEAERN CCC(=O)[C@H](O)c1ccc(Cl)cc1 258800843 573581973 /nfs/dbraw/zinc/58/19/73/573581973.db2.gz NGCVLIHCURCYGH-SNVBAGLBSA-N 0 0 198.649 2.353 10 0 AEAERN CC(=O)C[C@H](C)c1ccccc1O 107409442 573581993 /nfs/dbraw/zinc/58/19/93/573581993.db2.gz PNELTBUAMVXFLV-QMMMGPOBSA-N 0 0 178.231 2.475 10 0 AEAERN CC[C@H](C)c1nsc(NC)n1 83646134 573582001 /nfs/dbraw/zinc/58/20/01/573582001.db2.gz GHEUNTRTPPVNOC-YFKPBYRVSA-N 0 0 171.269 2.093 10 0 AEAERN Cc1cc(N)ncc1-c1ccco1 86716461 573582007 /nfs/dbraw/zinc/58/20/07/573582007.db2.gz WUEABOXYDWIDLT-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1cccc(C)c1-c1ncc(N)cn1 126533908 573582027 /nfs/dbraw/zinc/58/20/27/573582027.db2.gz KIUNWLCMIWETCH-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN c1nsc(NC2CCCCC2)n1 83651933 573582035 /nfs/dbraw/zinc/58/20/35/573582035.db2.gz HYHRREPEVQJTFF-UHFFFAOYSA-N 0 0 183.280 2.283 10 0 AEAERN CCCc1cc(N)cs1 75468332 573582054 /nfs/dbraw/zinc/58/20/54/573582054.db2.gz SFXXYWGRMNWFRR-UHFFFAOYSA-N 0 0 141.239 2.283 10 0 AEAERN Cc1ccc2c(c1)OC[C@@H](C)C2=O 107408058 573582057 /nfs/dbraw/zinc/58/20/57/573582057.db2.gz LPYYAMIUPGOXDG-MRVPVSSYSA-N 0 0 176.215 2.206 10 0 AEAERN CCCCC(=O)OCc1cscn1 308402143 573582073 /nfs/dbraw/zinc/58/20/73/573582073.db2.gz HNMYALJSXVDORD-UHFFFAOYSA-N 0 0 199.275 2.377 10 0 AEAERN Cc1cc(Br)ns1 107409332 573582077 /nfs/dbraw/zinc/58/20/77/573582077.db2.gz HPVKVKUUKZMJPL-UHFFFAOYSA-N 0 0 178.054 2.214 10 0 AEAERN C[C@@H](c1ccccc1)C(C)(C)NC=O 238440454 573582106 /nfs/dbraw/zinc/58/21/06/573582106.db2.gz FNRUJGIDNLOHGN-JTQLQIEISA-N 0 0 191.274 2.315 10 0 AEAERN CCC(CC)Nc1ncns1 83652012 573582117 /nfs/dbraw/zinc/58/21/17/573582117.db2.gz ISJCVVVURGCNMU-UHFFFAOYSA-N 0 0 171.269 2.139 10 0 AEAERN CCC[C@@H](C)Nc1ncns1 83652114 573582144 /nfs/dbraw/zinc/58/21/44/573582144.db2.gz HBHSQJFVCDLJQC-ZCFIWIBFSA-N 0 0 171.269 2.139 10 0 AEAERN Nc1csc(Cc2ccncc2)c1 75468414 573582147 /nfs/dbraw/zinc/58/21/47/573582147.db2.gz DEAFDLINTSQSQR-UHFFFAOYSA-N 0 0 190.271 2.316 10 0 AEAERN CCSCc1nsc(Cl)n1 83645953 573582186 /nfs/dbraw/zinc/58/21/86/573582186.db2.gz ZEYXKJOVFZQZPS-UHFFFAOYSA-N 0 0 194.712 2.445 10 0 AEAERN C[C@@H]1[C@H]2C[C@H]([C@H](O)C2)C1(C)C 238441506 573582189 /nfs/dbraw/zinc/58/21/89/573582189.db2.gz YIYPAKVVVALVFC-BZNPZCIMSA-N 0 0 154.253 2.049 10 0 AEAERN Cc1c(C=O)ncc(F)c1C(F)F 238440826 573582346 /nfs/dbraw/zinc/58/23/46/573582346.db2.gz PVRPALRFANWWTP-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN Cc1[nH]nc2c(Cl)ccc(C=O)c12 259519455 573583508 /nfs/dbraw/zinc/58/35/08/573583508.db2.gz QFKXDLBMBGSCJR-UHFFFAOYSA-N 0 0 194.621 2.337 10 0 AEAERN C[C@@]12C(=O)C[C@@H]1Cc1ccccc12 238441213 573582402 /nfs/dbraw/zinc/58/24/02/573582402.db2.gz AVDKJNWGNWDDSH-JOYOIKCWSA-N 0 0 172.227 2.089 10 0 AEAERN CC1=CCC[C@@H](C)C(=O)C1 238441219 573582426 /nfs/dbraw/zinc/58/24/26/573582426.db2.gz VPWFUZGHRJEWJO-MRVPVSSYSA-N 0 0 138.210 2.322 10 0 AEAERN CC(=O)C[C@@H](C)c1cccc(O)c1 107409454 573582447 /nfs/dbraw/zinc/58/24/47/573582447.db2.gz QWLBJZFRZYLJOY-MRVPVSSYSA-N 0 0 178.231 2.475 10 0 AEAERN CCC(C)(C)S/C=C/CO 224941573 573582490 /nfs/dbraw/zinc/58/24/90/573582490.db2.gz DOJOVYARZXRWHE-FNORWQNLSA-N 0 0 160.282 2.414 10 0 AEAERN Cc1cc([C@H](C)O)cc(F)c1F 258066705 573582504 /nfs/dbraw/zinc/58/25/04/573582504.db2.gz TVJOOKMFGSOXOM-LURJTMIESA-N 0 0 172.174 2.327 10 0 AEAERN C[C@@H]1CCCC[C@]1(O)[C@@H]1CCCOC1 224945129 573582553 /nfs/dbraw/zinc/58/25/53/573582553.db2.gz ULEXQOWQWVERLQ-IJLUTSLNSA-N 0 0 198.306 2.354 10 0 AEAERN CC(=O)c1nocc1C(C)C 257833242 573582660 /nfs/dbraw/zinc/58/26/60/573582660.db2.gz KYZPHDBOZIWFNC-UHFFFAOYSA-N 0 0 153.181 2.001 10 0 AEAERN C[C@@H]1C(=O)c2cccc3c2[C@@H]1CCO3 86718069 573582736 /nfs/dbraw/zinc/58/27/36/573582736.db2.gz QYQJRBOIVCCAHC-JGVFFNPUSA-N 0 0 188.226 2.385 10 0 AEAERN CSc1ccc(C(=O)C2CC2)n1C 75469170 573582937 /nfs/dbraw/zinc/58/29/37/573582937.db2.gz UKOYYFZDUXAGKU-UHFFFAOYSA-N 0 0 195.287 2.340 10 0 AEAERN CC(=O)C[C@H](C)c1cccc(O)c1 107409451 573583024 /nfs/dbraw/zinc/58/30/24/573583024.db2.gz QWLBJZFRZYLJOY-QMMMGPOBSA-N 0 0 178.231 2.475 10 0 AEAERN C[C@@H]1CC[C@@H](Nc2ncns2)[C@@H]1C 83669558 573583048 /nfs/dbraw/zinc/58/30/48/573583048.db2.gz UCIRCPIAPTWCGO-BWZBUEFSSA-N 0 0 197.307 2.385 10 0 AEAERN CCOC(=O)[C@@H]1[C@H](C)[C@H]1CC(C)C 259516341 573583122 /nfs/dbraw/zinc/58/31/22/573583122.db2.gz CPAROFUJCYOXFI-OPRDCNLKSA-N 0 0 184.279 2.478 10 0 AEAERN OC1([C@H]2CCSC2)CCCCC1 258066105 573583554 /nfs/dbraw/zinc/58/35/54/573583554.db2.gz QBUWOGXLVQRZHX-VIFPVBQESA-N 0 0 186.320 2.435 10 0 AEAERN C[C@@H]1C[C@@H]2[C@@H]1C(=O)CC2(C)C 238441957 573583555 /nfs/dbraw/zinc/58/35/55/573583555.db2.gz LKESKPHLTBBLIX-ZXFLCMHBSA-N 0 0 152.237 2.258 10 0 AEAERN C[C@@H]1C(=O)c2cccc3c2[C@H]1CCO3 86718065 573583267 /nfs/dbraw/zinc/58/32/67/573583267.db2.gz QYQJRBOIVCCAHC-YUMQZZPRSA-N 0 0 188.226 2.385 10 0 AEAERN C[C@@H]1CCCC(C)(C)[C@H]1CC(N)=O 238445671 573583354 /nfs/dbraw/zinc/58/33/54/573583354.db2.gz RDUUBSHJMQCQGI-BDAKNGLRSA-N 0 0 183.295 2.324 10 0 AEAERN CC[C@@](O)(C(C)C)[C@H]1CCCOC1 224951479 573583363 /nfs/dbraw/zinc/58/33/63/573583363.db2.gz PJIIKRIMICIEET-WDEREUQCSA-N 0 0 186.295 2.210 10 0 AEAERN Nc1csc(CC(F)(F)F)c1 75468331 573583405 /nfs/dbraw/zinc/58/34/05/573583405.db2.gz HGKGXHZEGSLRHC-UHFFFAOYSA-N 0 0 181.182 2.435 10 0 AEAERN CC[C@H](C)Cn1ccc(C(C)=O)n1 308402970 573585132 /nfs/dbraw/zinc/58/51/32/573585132.db2.gz JSFNVDNJDHPGAH-QMMMGPOBSA-N 0 0 180.251 2.132 10 0 AEAERN CCCCCc1oc(N)nc1C 258798180 573584480 /nfs/dbraw/zinc/58/44/80/573584480.db2.gz NBBGHDISXQPWGM-UHFFFAOYSA-N 0 0 168.240 2.298 10 0 AEAERN C[C@H](O)C1=CCC[C@@H](C)C1 238442227 573584526 /nfs/dbraw/zinc/58/45/26/573584526.db2.gz GZEBCZJEFXSAHK-SFYZADRCSA-N 0 0 140.226 2.114 10 0 AEAERN CCCN(CC)C(=O)/C=C/C1CC1 308403873 573584636 /nfs/dbraw/zinc/58/46/36/573584636.db2.gz INFUYRQUYRUHST-BQYQJAHWSA-N 0 0 181.279 2.211 10 0 AEAERN CCc1ccc(-c2c(C)c2=O)cc1 258798215 573584742 /nfs/dbraw/zinc/58/47/42/573584742.db2.gz NBFLKYXYRMRWJK-UHFFFAOYSA-N 0 0 172.227 2.460 10 0 AEAERN CCc1ccc(SC)[nH]1 75469385 573584786 /nfs/dbraw/zinc/58/47/86/573584786.db2.gz ZSDNUBDVSMKRGC-UHFFFAOYSA-N 0 0 141.239 2.299 10 0 AEAERN CCCS[C@H](C(=O)OC)C(C)C 259116785 573584810 /nfs/dbraw/zinc/58/48/10/573584810.db2.gz BJCYODODXOZFSS-QMMMGPOBSA-N 0 0 190.308 2.327 10 0 AEAERN CCC[C@@H]([NH3+])C1CCC(C(=O)[O-])CC1 259516752 573584812 /nfs/dbraw/zinc/58/48/12/573584812.db2.gz VOGMBBYZIHJWJW-UDNWOFFPSA-N 0 0 199.294 2.005 10 0 AEAERN CCCc1csc(C2(CO)CC2)n1 259115408 573584873 /nfs/dbraw/zinc/58/48/73/573584873.db2.gz FZMZQHMKFGDZGQ-UHFFFAOYSA-N 0 0 197.303 2.120 10 0 AEAERN CC(=O)c1ccc(OC2CCC2)nc1 124700537 573584886 /nfs/dbraw/zinc/58/48/86/573584886.db2.gz IYGJUMOTYMHSBU-UHFFFAOYSA-N 0 0 191.230 2.216 10 0 AEAERN C[C@@H](O)[Si](C)(C1CC1)C1CC1 198326803 573585014 /nfs/dbraw/zinc/58/50/14/573585014.db2.gz KOEGLMGHJAFFBX-ZETCQYMHSA-N 0 0 170.328 2.313 10 0 AEAERN CCCN(CC)C(=O)/C=C\C1CC1 308403874 573585048 /nfs/dbraw/zinc/58/50/48/573585048.db2.gz INFUYRQUYRUHST-FPLPWBNLSA-N 0 0 181.279 2.211 10 0 AEAERN S=C1NCC[C@@H]1Cc1ccccc1 144431503 573585091 /nfs/dbraw/zinc/58/50/91/573585091.db2.gz IYGOUINVHAWCHR-SNVBAGLBSA-N 0 0 191.299 2.166 10 0 AEAERN C[C@@H]1C[C@@](C)(CC(C)(C)C)C(=O)N1 238442744 573585129 /nfs/dbraw/zinc/58/51/29/573585129.db2.gz RTKGWSZAGBSMKQ-KCJUWKMLSA-N 0 0 183.295 2.337 10 0 AEAERN COc1cc(N)cc(SC)c1OC 144449574 573585175 /nfs/dbraw/zinc/58/51/75/573585175.db2.gz XBZUWPNEGLBAPG-UHFFFAOYSA-N 0 0 199.275 2.008 10 0 AEAERN C[C@H]1C(=O)c2cccc3c2[C@@H]1CCO3 86718067 573585197 /nfs/dbraw/zinc/58/51/97/573585197.db2.gz QYQJRBOIVCCAHC-HTQZYQBOSA-N 0 0 188.226 2.385 10 0 AEAERN Cc1cc(N)ncc1-c1ccoc1 86716459 573585205 /nfs/dbraw/zinc/58/52/05/573585205.db2.gz CCGRWYXEKWFRSF-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN CC1(Nc2ncns2)CCCC1 83654161 573585211 /nfs/dbraw/zinc/58/52/11/573585211.db2.gz AJNIWKNZGOAZRW-UHFFFAOYSA-N 0 0 183.280 2.283 10 0 AEAERN Fc1cc(Cl)cnc1-n1cccn1 86711527 573585219 /nfs/dbraw/zinc/58/52/19/573585219.db2.gz AGDWJRNEMDNVMI-UHFFFAOYSA-N 0 0 197.600 2.060 10 0 AEAERN C[C@@H]1C[C@H]2C(=O)CC(C)(C)[C@@H]12 238442094 573585272 /nfs/dbraw/zinc/58/52/72/573585272.db2.gz AORZNWOUIXVCEH-FJXKBIBVSA-N 0 0 152.237 2.258 10 0 AEAERN CCc1ncc(C(=O)OC2CC2)s1 308403132 573585275 /nfs/dbraw/zinc/58/52/75/573585275.db2.gz ICLLBQGRZXRFII-UHFFFAOYSA-N 0 0 197.259 2.025 10 0 AEAERN COC=C1CCSCC1 78685009 573585327 /nfs/dbraw/zinc/58/53/27/573585327.db2.gz GYDWKLRCVMKVBG-UHFFFAOYSA-N 0 0 144.239 2.044 10 0 AEAERN COc1c[nH]c(C)cc1=S 238442405 573585360 /nfs/dbraw/zinc/58/53/60/573585360.db2.gz IKHOBCQFNXTQIO-UHFFFAOYSA-N 0 0 155.222 2.061 10 0 AEAERN CCc1cc(NC(C)=O)cc(CC)n1 144448685 573585381 /nfs/dbraw/zinc/58/53/81/573585381.db2.gz YOWMRDNSFBJDPF-UHFFFAOYSA-N 0 0 192.262 2.165 10 0 AEAERN COC1(Cc2cccc(C=O)c2)CC1 259519972 573585392 /nfs/dbraw/zinc/58/53/92/573585392.db2.gz QHHOLAAGIZEYBE-UHFFFAOYSA-N 0 0 190.242 2.221 10 0 AEAERN Cc1[nH]c(C(C)(C)O)nc1C(C)C 258800296 573586927 /nfs/dbraw/zinc/58/69/27/573586927.db2.gz WPQWENUQKFUXBA-UHFFFAOYSA-N 0 0 182.267 2.069 10 0 AEAERN CC1=C[C@H](C)n2nc(C)cc2N1 238442041 573587047 /nfs/dbraw/zinc/58/70/47/573587047.db2.gz BKAMQXVJTIWDSK-QMMMGPOBSA-N 0 0 163.224 2.082 10 0 AEAERN CC(C)Oc1ccc(N(C)C#N)cc1 259117363 573587110 /nfs/dbraw/zinc/58/71/10/573587110.db2.gz BUOYZKDOSXGISS-UHFFFAOYSA-N 0 0 190.246 2.391 10 0 AEAERN C[C@@H]1CC[C@@H](O)c2ccccc2N1 238442891 573586572 /nfs/dbraw/zinc/58/65/72/573586572.db2.gz GNQFSWOVCXPWTK-LDYMZIIASA-N 0 0 177.247 2.314 10 0 AEAERN CC1=C[C@H](C)[C@H]2CCC(=O)[C@@H]12 238442279 573586593 /nfs/dbraw/zinc/58/65/93/573586593.db2.gz HFMJJOVGUYYJDP-IONOHQLYSA-N 0 0 150.221 2.178 10 0 AEAERN COCc1ccc2c(c1)C(=O)[C@@H](C)C2 86718051 573586618 /nfs/dbraw/zinc/58/66/18/573586618.db2.gz JUKRMEYWLVXRHQ-QMMMGPOBSA-N 0 0 190.242 2.208 10 0 AEAERN C[C@H]1C(=O)c2cccc3c2[C@H]1CCO3 86718063 573586643 /nfs/dbraw/zinc/58/66/43/573586643.db2.gz QYQJRBOIVCCAHC-SFYZADRCSA-N 0 0 188.226 2.385 10 0 AEAERN CCC[C@H]([NH3+])C1CCC(C(=O)[O-])CC1 259516750 573586692 /nfs/dbraw/zinc/58/66/92/573586692.db2.gz VOGMBBYZIHJWJW-RTBKNWGFSA-N 0 0 199.294 2.005 10 0 AEAERN CC[C@](O)(C(C)C)[C@@H]1CCCOC1 224951437 573586740 /nfs/dbraw/zinc/58/67/40/573586740.db2.gz PJIIKRIMICIEET-MNOVXSKESA-N 0 0 186.295 2.210 10 0 AEAERN C[C@]12C(=O)C[C@@H]3[C@H]4CC=C[C@H]4[C@H]1[C@@H]32 238442323 573586783 /nfs/dbraw/zinc/58/67/83/573586783.db2.gz ABXXFYSBDUTBSW-VNRUAFJTSA-N 0 0 174.243 2.034 10 0 AEAERN CCC(CC)C(=O)OCC1(F)CC1 308404325 573586850 /nfs/dbraw/zinc/58/68/50/573586850.db2.gz IUSRREKDZNIELG-UHFFFAOYSA-N 0 0 188.242 2.468 10 0 AEAERN C[C@@H]1CCC[C@@H]1Nc1ncns1 83668783 573586953 /nfs/dbraw/zinc/58/69/53/573586953.db2.gz GNPAYIFDOKUSIE-RQJHMYQMSA-N 0 0 183.280 2.139 10 0 AEAERN CCCC[S@@](=O)Cc1ccncc1 308404230 573587020 /nfs/dbraw/zinc/58/70/20/573587020.db2.gz IQFGQGPMABDAFI-CYBMUJFWSA-N 0 0 197.303 2.130 10 0 AEAERN CCOc1ccc2c(c1)C(=O)[C@H](C)C2 86718159 573588135 /nfs/dbraw/zinc/58/81/35/573588135.db2.gz YRNAAQTZGDOVKZ-MRVPVSSYSA-N 0 0 190.242 2.460 10 0 AEAERN C[C@@H]1Cc2c(F)cc(F)cc2[C@@H]1O 86721844 573588704 /nfs/dbraw/zinc/58/87/04/573588704.db2.gz NJEHZHSEZYPZSY-GPXNAGAYSA-N 0 0 184.185 2.190 10 0 AEAERN CC(C)CCCNc1ncns1 83653868 573588151 /nfs/dbraw/zinc/58/81/51/573588151.db2.gz NKHTYZCCXHOTON-UHFFFAOYSA-N 0 0 185.296 2.386 10 0 AEAERN Cc1cc(F)cc2c1C[C@H](C)[C@@H]2O 86721641 573588154 /nfs/dbraw/zinc/58/81/54/573588154.db2.gz SNDOEBFMCLPHND-CPCISQLKSA-N 0 0 180.222 2.360 10 0 AEAERN CC[C@H](Nc1ncns1)C(C)C 83654423 573588162 /nfs/dbraw/zinc/58/81/62/573588162.db2.gz GBBPJHJAIYXXBV-ZETCQYMHSA-N 0 0 185.296 2.385 10 0 AEAERN C[C@]1(CO)CC[C@@H]2CCC[C@@H]21 238454962 573590313 /nfs/dbraw/zinc/59/03/13/573590313.db2.gz JEJQFCSYRLLZCZ-LPEHRKFASA-N 0 0 154.253 2.195 10 0 AEAERN CCOC[C@H](O)c1c(C)cccc1C 126558817 573588190 /nfs/dbraw/zinc/58/81/90/573588190.db2.gz HZNLBIGFMAKQFG-NSHDSACASA-N 0 0 194.274 2.373 10 0 AEAERN CO[C@H](C)C1(c2ccccc2O)CC1 259519188 573588124 /nfs/dbraw/zinc/58/81/24/573588124.db2.gz AEQHAMCFJORSGJ-SECBINFHSA-N 0 0 192.258 2.459 10 0 AEAERN Oc1cccc(Oc2ncns2)c1 83671290 573588125 /nfs/dbraw/zinc/58/81/25/573588125.db2.gz MOMJJZHHPPTVFH-UHFFFAOYSA-N 0 0 194.215 2.036 10 0 AEAERN Cc1ccc([C@@H](O)[C@@H]2CCCOC2)o1 224956017 573588706 /nfs/dbraw/zinc/58/87/06/573588706.db2.gz PVFGLVDRKACGAK-KOLCDFICSA-N 0 0 196.246 2.048 10 0 AEAERN C[C@H]1[C@@H]2CCOc3cccc(c32)[C@@H]1O 86721795 573588709 /nfs/dbraw/zinc/58/87/09/573588709.db2.gz XSKRGBCJKBEPOU-YVZVNANGSA-N 0 0 190.242 2.236 10 0 AEAERN C[C@@H]1Cc2c(ccc(F)c2F)[C@@H]1O 86722102 573588343 /nfs/dbraw/zinc/58/83/43/573588343.db2.gz QSMAJIHOBSZERF-GPXNAGAYSA-N 0 0 184.185 2.190 10 0 AEAERN c1cnnc(CC2CCSCC2)c1 259519457 573588374 /nfs/dbraw/zinc/58/83/74/573588374.db2.gz SOEVVXKGFGXGDF-UHFFFAOYSA-N 0 0 194.303 2.162 10 0 AEAERN CC(=O)c1nn(C)c2cccc(C)c12 107419259 573588379 /nfs/dbraw/zinc/58/83/79/573588379.db2.gz KKJLSPQMHYLUJH-UHFFFAOYSA-N 0 0 188.230 2.084 10 0 AEAERN C[C@H](CC1CC1)Nc1ncns1 83669076 573588392 /nfs/dbraw/zinc/58/83/92/573588392.db2.gz LZJAFKQDJWGTSP-ZCFIWIBFSA-N 0 0 183.280 2.139 10 0 AEAERN CC(C)Nc1cc(N)cs1 75491057 573588430 /nfs/dbraw/zinc/58/84/30/573588430.db2.gz FAVNRUHICXZKSA-UHFFFAOYSA-N 0 0 156.254 2.151 10 0 AEAERN C[C@H]1c2ccccc2[C@@H](O)[C@@H]1C 86721883 573588461 /nfs/dbraw/zinc/58/84/61/573588461.db2.gz XETZEKWPNHTPOC-XLDPMVHQSA-N 0 0 162.232 2.473 10 0 AEAERN O=C1c2ccccc2OCC12CCC2 107419191 573588469 /nfs/dbraw/zinc/58/84/69/573588469.db2.gz OXTXVDWZAGAPLO-UHFFFAOYSA-N 0 0 188.226 2.432 10 0 AEAERN C[C@@H]1[C@@H](O)c2cccc3c2[C@@H]1CC3 86721602 573588490 /nfs/dbraw/zinc/58/84/90/573588490.db2.gz ZSCFHDNJKUVWEU-LPBBDHJYSA-N 0 0 174.243 2.400 10 0 AEAERN C[C@H]1CCc2c(C=O)cc(O)cc21 238454990 573588509 /nfs/dbraw/zinc/58/85/09/573588509.db2.gz IIFKTPPVTDDZHF-ZETCQYMHSA-N 0 0 176.215 2.254 10 0 AEAERN CC/C=C\C[C@H](O)[C@H](O)C/C=C\CC 308631178 573588511 /nfs/dbraw/zinc/58/85/11/573588511.db2.gz UYJWYVDYJROARV-HLWZKCGKSA-N 0 0 198.306 2.421 10 0 AEAERN CC(C)(O)[C@H]1CNc2ccc(F)cc21 258063935 573588532 /nfs/dbraw/zinc/58/85/32/573588532.db2.gz LXKBXFQMKRQNPD-VIFPVBQESA-N 0 0 195.237 2.106 10 0 AEAERN C[C@H]1Cc2c(F)cccc2[C@@H]1O 86722085 573588546 /nfs/dbraw/zinc/58/85/46/573588546.db2.gz KRCFGRYYNDKQEU-QUBYGPBYSA-N 0 0 166.195 2.051 10 0 AEAERN C[C@@H]1Cc2c(F)ccc(F)c2[C@H]1O 86721524 573588554 /nfs/dbraw/zinc/58/85/54/573588554.db2.gz LTPNUSHHBFXUJS-FWOIEVBISA-N 0 0 184.185 2.190 10 0 AEAERN CCCCC/C=C/C1=N[C@H]1C(=O)OC 215282963 573588560 /nfs/dbraw/zinc/58/85/60/573588560.db2.gz RWDQVIKEEWJCCM-QROSGCPLSA-N 0 0 195.262 2.119 10 0 AEAERN C[C@H]1CC(=O)Nc2ccsc21 238455000 573588607 /nfs/dbraw/zinc/58/86/07/573588607.db2.gz XDBFVZOPJBLSGZ-YFKPBYRVSA-N 0 0 167.233 2.194 10 0 AEAERN Cc1cccc2c1C[C@H](C)[C@@H]2O 86722058 573588609 /nfs/dbraw/zinc/58/86/09/573588609.db2.gz ZHEMHJDKSVQQRQ-KWQFWETISA-N 0 0 162.232 2.221 10 0 AEAERN Cc1ccc([C@H](O)[C@@H]2CCCOC2)o1 224956057 573588620 /nfs/dbraw/zinc/58/86/20/573588620.db2.gz PVFGLVDRKACGAK-MWLCHTKSSA-N 0 0 196.246 2.048 10 0 AEAERN COCc1cccc2c1C[C@@H](C)[C@H]2O 86721933 573588630 /nfs/dbraw/zinc/58/86/30/573588630.db2.gz LPNNDNNBXMUOPC-PRHODGIISA-N 0 0 192.258 2.059 10 0 AEAERN Cc1cccc2c1C[C@H](C)[C@H]2O 86722064 573588651 /nfs/dbraw/zinc/58/86/51/573588651.db2.gz ZHEMHJDKSVQQRQ-GZMMTYOYSA-N 0 0 162.232 2.221 10 0 AEAERN C[C@@H]1[C@@H](O)c2cccc3c2[C@@H]1CCO3 86721800 573588698 /nfs/dbraw/zinc/58/86/98/573588698.db2.gz XSKRGBCJKBEPOU-JOAULVNJSA-N 0 0 190.242 2.236 10 0 AEAERN CC(=O)N[C@H]1[C@H](C)CCCC1(C)C 238445732 573589890 /nfs/dbraw/zinc/58/98/90/573589890.db2.gz LAECRDKUGIRDIY-SCZZXKLOSA-N 0 0 183.295 2.337 10 0 AEAERN C[C@H]1Cc2c(F)cc(F)cc2[C@H]1O 86721848 573589628 /nfs/dbraw/zinc/58/96/28/573589628.db2.gz NJEHZHSEZYPZSY-RRAGMBSWSA-N 0 0 184.185 2.190 10 0 AEAERN CCCCC/C=C/C1=N[C@@H]1C(=O)OC 215282915 573589905 /nfs/dbraw/zinc/58/99/05/573589905.db2.gz RWDQVIKEEWJCCM-JARNTUPDSA-N 0 0 195.262 2.119 10 0 AEAERN C[C@H]1Cc2c(ccc(F)c2F)[C@H]1O 86722109 573589906 /nfs/dbraw/zinc/58/99/06/573589906.db2.gz QSMAJIHOBSZERF-RRAGMBSWSA-N 0 0 184.185 2.190 10 0 AEAERN CC(=O)C[C@@H](C)c1ncccc1C 238454952 573589912 /nfs/dbraw/zinc/58/99/12/573589912.db2.gz YMWHRGPSBDARNB-SECBINFHSA-N 0 0 177.247 2.473 10 0 AEAERN Cc1cc(F)cc2c1C[C@H](C)[C@H]2O 86721645 573589413 /nfs/dbraw/zinc/58/94/13/573589413.db2.gz SNDOEBFMCLPHND-WRWORJQWSA-N 0 0 180.222 2.360 10 0 AEAERN Cc1cccc2c1C[C@@H](C)[C@H]2O 86722067 573589451 /nfs/dbraw/zinc/58/94/51/573589451.db2.gz ZHEMHJDKSVQQRQ-LDYMZIIASA-N 0 0 162.232 2.221 10 0 AEAERN CCC(=O)c1[nH]ccc1SC 75483203 573589460 /nfs/dbraw/zinc/58/94/60/573589460.db2.gz MLYFQRDFQRWVPQ-UHFFFAOYSA-N 0 0 169.249 2.329 10 0 AEAERN C[C@H]1C=CC2=CCCCC(=O)[C@H]21 238443156 573589497 /nfs/dbraw/zinc/58/94/97/573589497.db2.gz TWOZYUOMNRMJPU-KWQFWETISA-N 0 0 162.232 2.488 10 0 AEAERN CO[C@H](C)CNc1cccc(N)c1C 223667102 573589568 /nfs/dbraw/zinc/58/95/68/573589568.db2.gz XKOOTZDATZTKHT-MRVPVSSYSA-N 0 0 194.278 2.024 10 0 AEAERN CC(=O)c1cccc(CC(C)(C)O)c1 259521308 573589577 /nfs/dbraw/zinc/58/95/77/573589577.db2.gz SOPAZLFYKDARCS-UHFFFAOYSA-N 0 0 192.258 2.203 10 0 AEAERN CC1(C[C@@](C)(C[NH3+])C(=O)[O-])CCCC1 308640073 573589620 /nfs/dbraw/zinc/58/96/20/573589620.db2.gz CSWUPKNGGSTGDS-NSHDSACASA-N 0 0 199.294 2.006 10 0 AEAERN CCc1[nH]cc(C=O)c1SC 75483936 573589660 /nfs/dbraw/zinc/58/96/60/573589660.db2.gz LQJFXEDTOKPCIF-UHFFFAOYSA-N 0 0 169.249 2.112 10 0 AEAERN CCOc1ccc2c(c1)C(=O)[C@@H](C)C2 86718160 573589708 /nfs/dbraw/zinc/58/97/08/573589708.db2.gz YRNAAQTZGDOVKZ-QMMMGPOBSA-N 0 0 190.242 2.460 10 0 AEAERN Cc1ccc([C@@H](O)[C@H]2CCCOC2)o1 224956097 573589728 /nfs/dbraw/zinc/58/97/28/573589728.db2.gz PVFGLVDRKACGAK-ONGXEEELSA-N 0 0 196.246 2.048 10 0 AEAERN C[C@H]1Cc2c(F)ccc(F)c2[C@@H]1O 86721522 573589738 /nfs/dbraw/zinc/58/97/38/573589738.db2.gz LTPNUSHHBFXUJS-XUOSJQGZSA-N 0 0 184.185 2.190 10 0 AEAERN C[C@@H]1c2ccccc2[C@H](O)[C@@H]1C 86721878 573589741 /nfs/dbraw/zinc/58/97/41/573589741.db2.gz XETZEKWPNHTPOC-VAOFZXAKSA-N 0 0 162.232 2.473 10 0 AEAERN COCc1cccc2c1C[C@@H](C)[C@@H]2O 86721937 573589753 /nfs/dbraw/zinc/58/97/53/573589753.db2.gz LPNNDNNBXMUOPC-PELKAZGASA-N 0 0 192.258 2.059 10 0 AEAERN Cc1ccc2c(c1)NCc1c[nH]nc1-2 82392771 573589930 /nfs/dbraw/zinc/58/99/30/573589930.db2.gz YIVSTXNIQJWHPW-UHFFFAOYSA-N 0 0 185.230 2.311 10 0 AEAERN CCOCSc1ncccc1C#N 393500264 573589886 /nfs/dbraw/zinc/58/98/86/573589886.db2.gz UNXRJJONXJDMEY-UHFFFAOYSA-N 0 0 194.259 2.039 10 0 AEAERN C[C@@H]1Cc2ccc(F)cc2[C@@H]1O 86721528 573589965 /nfs/dbraw/zinc/58/99/65/573589965.db2.gz JKKRGKAMVHOQOK-LHLIQPBNSA-N 0 0 166.195 2.051 10 0 AEAERN C[C@@H]1Cc2c(F)cccc2[C@@H]1O 86722082 573589990 /nfs/dbraw/zinc/58/99/90/573589990.db2.gz KRCFGRYYNDKQEU-LHLIQPBNSA-N 0 0 166.195 2.051 10 0 AEAERN Cc1ccc([C@H](O)[C@@H]2CC[C@@H](C)O2)o1 238443820 573589995 /nfs/dbraw/zinc/58/99/95/573589995.db2.gz PWZMOJIRTIKLBJ-MIMYLULJSA-N 0 0 196.246 2.189 10 0 AEAERN CCOC(=O)/C=C1\CCC[C@H](OC)C1 308631611 573590084 /nfs/dbraw/zinc/59/00/84/573590084.db2.gz VADUSIUWSCLVCS-DDXVTDLHSA-N 0 0 198.262 2.065 10 0 AEAERN C=CC(=O)N1CCCC(C)(C)CC1 83680258 573590085 /nfs/dbraw/zinc/59/00/85/573590085.db2.gz ASYLOXRRYCQDIS-UHFFFAOYSA-N 0 0 181.279 2.211 10 0 AEAERN O=Cc1cccc([C@@H]2CC[C@H](O)C2)c1 259521253 573590086 /nfs/dbraw/zinc/59/00/86/573590086.db2.gz AJEGIPVEHVMXTN-NEPJUHHUSA-N 0 0 190.242 2.128 10 0 AEAERN C[C@@H]1Cc2ccc(F)cc2[C@H]1O 86721532 573590141 /nfs/dbraw/zinc/59/01/41/573590141.db2.gz JKKRGKAMVHOQOK-LDWIPMOCSA-N 0 0 166.195 2.051 10 0 AEAERN CCCCc1oc(NC)nc1C 258810746 573590145 /nfs/dbraw/zinc/59/01/45/573590145.db2.gz NZMFEBGAJTXPLZ-UHFFFAOYSA-N 0 0 168.240 2.367 10 0 AEAERN CCc1cc(C(C)=O)c(N)s1 75491628 573590169 /nfs/dbraw/zinc/59/01/69/573590169.db2.gz GTRCZCBIINFIJS-UHFFFAOYSA-N 0 0 169.249 2.095 10 0 AEAERN COCc1ccc2c(c1)[C@H](O)[C@H](C)C2 86722004 573590170 /nfs/dbraw/zinc/59/01/70/573590170.db2.gz AYJPODHQRPSFRE-PRHODGIISA-N 0 0 192.258 2.059 10 0 AEAERN CC/C=C\C[C@@H](O)[C@@H](O)C/C=C/CC 308631177 573590187 /nfs/dbraw/zinc/59/01/87/573590187.db2.gz UYJWYVDYJROARV-GVPGACQCSA-N 0 0 198.306 2.421 10 0 AEAERN C[C@H]1Cc2c(F)ccc(F)c2[C@H]1O 86721526 573590189 /nfs/dbraw/zinc/59/01/89/573590189.db2.gz LTPNUSHHBFXUJS-RRAGMBSWSA-N 0 0 184.185 2.190 10 0 AEAERN C[C@H]1/C=C/CC(=O)CCC1 238443562 573590209 /nfs/dbraw/zinc/59/02/09/573590209.db2.gz ZQHNNKSKGCBEPM-KHVHVRLGSA-N 0 0 138.210 2.322 10 0 AEAERN OCC[C@@H]1CCCN1c1ccccc1 259520868 573590212 /nfs/dbraw/zinc/59/02/12/573590212.db2.gz AFCKFKOWTJAZJX-LBPRGKRZSA-N 0 0 191.274 2.038 10 0 AEAERN CCOc1cccc2c1C[C@@H](C)C2=O 86718157 573591262 /nfs/dbraw/zinc/59/12/62/573591262.db2.gz SDEJWHCZEWUGHE-MRVPVSSYSA-N 0 0 190.242 2.460 10 0 AEAERN CCOc1cccc2c1C[C@H](C)[C@@H]2O 86721962 573591270 /nfs/dbraw/zinc/59/12/70/573591270.db2.gz QYOGJECIKBEFOO-UFBFGSQYSA-N 0 0 192.258 2.311 10 0 AEAERN C[C@@H](O)[C@@]1(C)CCc2ccccc2O1 238442940 573591286 /nfs/dbraw/zinc/59/12/86/573591286.db2.gz ZBNPAZFLVWJFDD-BXKDBHETSA-N 0 0 192.258 2.151 10 0 AEAERN CC/C=C(CCO)/C(=C/CCO)CC 308631171 573591292 /nfs/dbraw/zinc/59/12/92/573591292.db2.gz UXSGEOCPFIKDSI-IAVOFVOCSA-N 0 0 198.306 2.424 10 0 AEAERN C[C@H]1C=CC2=CCCCC(=O)[C@@H]21 238443174 573591328 /nfs/dbraw/zinc/59/13/28/573591328.db2.gz TWOZYUOMNRMJPU-GZMMTYOYSA-N 0 0 162.232 2.488 10 0 AEAERN Cc1oc2cccc(C)c2c1C(N)=O 144487310 573591014 /nfs/dbraw/zinc/59/10/14/573591014.db2.gz PLIZMHIAIOMVBE-UHFFFAOYSA-N 0 0 189.214 2.149 10 0 AEAERN O[C@@H](C1=COCC1)C(C1CC1)C1CC1 308640920 573591054 /nfs/dbraw/zinc/59/10/54/573591054.db2.gz CZEIAORRVJIUDB-LBPRGKRZSA-N 0 0 194.274 2.088 10 0 AEAERN CCOc1cccc2c1C[C@H](C)C2=O 86718154 573591098 /nfs/dbraw/zinc/59/10/98/573591098.db2.gz SDEJWHCZEWUGHE-QMMMGPOBSA-N 0 0 190.242 2.460 10 0 AEAERN CCc1ccc2c(c1)[C@H](O)[C@@H](C)C2 86721681 573591156 /nfs/dbraw/zinc/59/11/56/573591156.db2.gz QJMBRFCJBCQTBG-QPUJVOFHSA-N 0 0 176.259 2.475 10 0 AEAERN C[C@H]1Cc2ccc(F)cc2[C@H]1O 86721534 573591322 /nfs/dbraw/zinc/59/13/22/573591322.db2.gz JKKRGKAMVHOQOK-WKEGUHRASA-N 0 0 166.195 2.051 10 0 AEAERN CC(C)[C@@H](CO)CC1CCC1 259521786 573591212 /nfs/dbraw/zinc/59/12/12/573591212.db2.gz VWKHZXGJNGMTOD-SNVBAGLBSA-N 0 0 156.269 2.441 10 0 AEAERN C[C@H]1Cc2c(ccc(F)c2F)C1=O 86718252 573591240 /nfs/dbraw/zinc/59/12/40/573591240.db2.gz PWWVREOQASHROF-YFKPBYRVSA-N 0 0 182.169 2.340 10 0 AEAERN CC(=O)c1cc(CC2CC2)sc1N 75491644 573591267 /nfs/dbraw/zinc/59/12/67/573591267.db2.gz MSRWCUHCSVEORC-UHFFFAOYSA-N 0 0 195.287 2.485 10 0 AEAERN C[C@@H]1c2cc(O)ccc2C(=O)[C@@H]1C 238443512 573591481 /nfs/dbraw/zinc/59/14/81/573591481.db2.gz ZOPGZJLSZBDCCG-NKWVEPMBSA-N 0 0 176.215 2.328 10 0 AEAERN CCc1cccc2c1C[C@H](C)[C@@H]2O 86721635 573591482 /nfs/dbraw/zinc/59/14/82/573591482.db2.gz RMKTXRYHAKSGJW-UFBFGSQYSA-N 0 0 176.259 2.475 10 0 AEAERN O=Cc1cccc([C@@H]2CC[C@@H](O)C2)c1 259521264 573591488 /nfs/dbraw/zinc/59/14/88/573591488.db2.gz AJEGIPVEHVMXTN-VXGBXAGGSA-N 0 0 190.242 2.128 10 0 AEAERN Clc1ccnc2sncc12 84229705 573591513 /nfs/dbraw/zinc/59/15/13/573591513.db2.gz LPHFJLQIQLVLPQ-UHFFFAOYSA-N 0 0 170.624 2.345 10 0 AEAERN CC1(C[C@](C)(C[NH3+])C(=O)[O-])CCCC1 308640072 573591564 /nfs/dbraw/zinc/59/15/64/573591564.db2.gz CSWUPKNGGSTGDS-LLVKDONJSA-N 0 0 199.294 2.006 10 0 AEAERN C[C@H]1CC(=O)CCC[C@H]1C 238443581 573592000 /nfs/dbraw/zinc/59/20/00/573592000.db2.gz HYXVFVVREVUNEJ-SFYZADRCSA-N 0 0 140.226 2.402 10 0 AEAERN C[C@@H]1Cc2c(F)cc(F)cc2[C@H]1O 86721847 573591620 /nfs/dbraw/zinc/59/16/20/573591620.db2.gz NJEHZHSEZYPZSY-FWOIEVBISA-N 0 0 184.185 2.190 10 0 AEAERN COc1ccc2c(c1)[C@H](O)[C@H](C)[C@H]2C 86722050 573591642 /nfs/dbraw/zinc/59/16/42/573591642.db2.gz FSHDHXIYAZNHOC-DNSOKLHBSA-N 0 0 192.258 2.482 10 0 AEAERN CCc1cccc2c1C[C@@H](C)[C@H]2O 86721640 573591659 /nfs/dbraw/zinc/59/16/59/573591659.db2.gz RMKTXRYHAKSGJW-PRHODGIISA-N 0 0 176.259 2.475 10 0 AEAERN NOC[C@H](F)C1CCCCCC1 259521073 573591680 /nfs/dbraw/zinc/59/16/80/573591680.db2.gz AGZUMLKNZDGFSD-VIFPVBQESA-N 0 0 175.247 2.185 10 0 AEAERN Nc1ccc2sc3nccn3c2c1 144494951 573591696 /nfs/dbraw/zinc/59/16/96/573591696.db2.gz RJDKXEJTZBTVOA-UHFFFAOYSA-N 0 0 189.243 2.131 10 0 AEAERN CCc1ccc2c(c1)[C@@H](O)[C@H](C)C2 86721679 573591701 /nfs/dbraw/zinc/59/17/01/573591701.db2.gz QJMBRFCJBCQTBG-PELKAZGASA-N 0 0 176.259 2.475 10 0 AEAERN COC(=O)[C@@H]1[C@H](C)[C@H]1C1CCCC1 259615606 573591712 /nfs/dbraw/zinc/59/17/12/573591712.db2.gz NBPDPANBGYIOGI-FKTZTGRPSA-N 0 0 182.263 2.232 10 0 AEAERN CC[C@@H](NC(=O)C(F)F)C(C)(C)C 393539225 573591730 /nfs/dbraw/zinc/59/17/30/573591730.db2.gz QGXGKJWBKLZHOM-ZCFIWIBFSA-N 0 0 193.237 2.192 10 0 AEAERN O[C@H](c1ncc(Cl)s1)C1CC1 223161231 573591771 /nfs/dbraw/zinc/59/17/71/573591771.db2.gz KBVMNBFSANVIJK-LURJTMIESA-N 0 0 189.667 2.240 10 0 AEAERN Nc1cc(-c2ccccn2)ccc1O 144487915 573592005 /nfs/dbraw/zinc/59/20/05/573592005.db2.gz WBTDXGPMWXJHNB-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Cc1ccc([C@H](O)[C@H]2CCCOC2)o1 224956137 573591826 /nfs/dbraw/zinc/59/18/26/573591826.db2.gz PVFGLVDRKACGAK-GXSJLCMTSA-N 0 0 196.246 2.048 10 0 AEAERN CC(=O)C[C@@H](C)c1ccncc1C 238454937 573591846 /nfs/dbraw/zinc/59/18/46/573591846.db2.gz LADHFZYPNJKVAB-MRVPVSSYSA-N 0 0 177.247 2.473 10 0 AEAERN Nc1ccc([C@@H]2C[C@H]2CF)cc1 259518978 573591858 /nfs/dbraw/zinc/59/18/58/573591858.db2.gz ADVBIKPJPUCBGZ-WPRPVWTQSA-N 0 0 165.211 2.342 10 0 AEAERN C[C@H]1C[C@](C)(CC(C)(C)C)C(=O)N1 238454984 573591875 /nfs/dbraw/zinc/59/18/75/573591875.db2.gz RTKGWSZAGBSMKQ-GZMMTYOYSA-N 0 0 183.295 2.337 10 0 AEAERN CC(=O)C[C@@H]1CCCC(C)(C)C1=O 144497507 573591900 /nfs/dbraw/zinc/59/19/00/573591900.db2.gz HKEDLYGNHKSVJU-VIFPVBQESA-N 0 0 182.263 2.361 10 0 AEAERN C[C@@H]1CCCC(=O)C[C@H]1C 238443614 573591943 /nfs/dbraw/zinc/59/19/43/573591943.db2.gz HYXVFVVREVUNEJ-HTQZYQBOSA-N 0 0 140.226 2.402 10 0 AEAERN C[C@@H]1C(=O)CC[C@H]2CC[C@H]12 238442939 573591963 /nfs/dbraw/zinc/59/19/63/573591963.db2.gz IJCQUQNFCBLKQK-XLPZGREQSA-N 0 0 138.210 2.012 10 0 AEAERN Nc1ccc([C@H]2C[C@@H]2CF)cc1 259518946 573591968 /nfs/dbraw/zinc/59/19/68/573591968.db2.gz ADVBIKPJPUCBGZ-PSASIEDQSA-N 0 0 165.211 2.342 10 0 AEAERN OCCc1ccc2occc2c1F 258064275 573593846 /nfs/dbraw/zinc/59/38/46/573593846.db2.gz SXQGVGZUASAIGY-UHFFFAOYSA-N 0 0 180.178 2.107 10 0 AEAERN C[C@@H]1C[C@H](O)C[C@@](C)(C(C)(C)C)O1 238455037 573593646 /nfs/dbraw/zinc/59/36/46/573593646.db2.gz 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/nfs/dbraw/zinc/59/47/67/573594767.db2.gz VVXNZRQMKSFVGD-UHFFFAOYSA-N 0 0 188.230 2.195 10 0 AEAERN CCC[C@H]1CCC[C@@H](CCC(=O)[O-])[NH2+]1 238274122 573594807 /nfs/dbraw/zinc/59/48/07/573594807.db2.gz ZBBLKNHERDUHLA-UWVGGRQHSA-N 0 0 199.294 2.162 10 0 AEAERN Cc1ccc([C@H](O)C2CCC2)c(N)c1 257833838 573594858 /nfs/dbraw/zinc/59/48/58/573594858.db2.gz KGJSZYDWOJPBSG-GFCCVEGCSA-N 0 0 191.274 2.411 10 0 AEAERN C[C@@]1(CO)C[C@@H]2C=CC[C@@H](C2)C1 238455583 573594863 /nfs/dbraw/zinc/59/48/63/573594863.db2.gz UCAITNXXJCCFGP-OUAUKWLOSA-N 0 0 166.264 2.361 10 0 AEAERN CCOC(=O)c1onc(C(C)C)c1C 259524534 573599943 /nfs/dbraw/zinc/59/99/43/573599943.db2.gz SSQKWIDYIVKZSI-UHFFFAOYSA-N 0 0 197.234 2.283 10 0 AEAERN Cc1ccc([C@@H](O)C2CCC2)c(N)c1 257833840 573594959 /nfs/dbraw/zinc/59/49/59/573594959.db2.gz KGJSZYDWOJPBSG-LBPRGKRZSA-N 0 0 191.274 2.411 10 0 AEAERN Cc1cc(N)nc(F)c1C(F)F 238456168 573594967 /nfs/dbraw/zinc/59/49/67/573594967.db2.gz MHVUIHHTOKMQES-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN Cc1ccc(C2(Cl)COC2)cc1 258809347 573594999 /nfs/dbraw/zinc/59/49/99/573594999.db2.gz XRPDOBNLEOIGMB-UHFFFAOYSA-N 0 0 182.650 2.459 10 0 AEAERN CCOC(=O)NCC1=CC=CCCC1 238273936 573595018 /nfs/dbraw/zinc/59/50/18/573595018.db2.gz XKXDDKOEVFYZTF-UHFFFAOYSA-N 0 0 195.262 2.399 10 0 AEAERN CCc1cccc([C@H](C)CO)c1O 258066819 573595054 /nfs/dbraw/zinc/59/50/54/573595054.db2.gz TYISGHPAMRMQKU-MRVPVSSYSA-N 0 0 180.247 2.050 10 0 AEAERN Cc1ccc(C)c([C@](C)(F)CO)c1 257832711 573595065 /nfs/dbraw/zinc/59/50/65/573595065.db2.gz KTADCRWTRULRSM-LLVKDONJSA-N 0 0 182.238 2.480 10 0 AEAERN CC(C)[C@@H](O)[C@H]1CCc2cccnc21 86735090 573595360 /nfs/dbraw/zinc/59/53/60/573595360.db2.gz XNVVQMPQPBDJLB-CMPLNLGQSA-N 0 0 191.274 2.128 10 0 AEAERN Cc1cc(N)nc(C(F)F)c1F 238455391 573595361 /nfs/dbraw/zinc/59/53/61/573595361.db2.gz FYFXMAWKQHEKJI-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN O[C@H](c1cccc(F)c1)[C@@H]1CCCO1 83711520 573595379 /nfs/dbraw/zinc/59/53/79/573595379.db2.gz BBHAQPXVUMVHAT-WDEREUQCSA-N 0 0 196.221 2.038 10 0 AEAERN C[C@H](O)[C@@H](C)C[Si](C)(C)C 238455870 573595385 /nfs/dbraw/zinc/59/53/85/573595385.db2.gz VHRMFGOAUHYCJQ-YUMQZZPRSA-N 0 0 160.333 2.342 10 0 AEAERN Cc1ccc([C@H](O)[C@H](C)CCO)cc1 308632395 573595419 /nfs/dbraw/zinc/59/54/19/573595419.db2.gz WCMUEBPVARVVBV-ZYHUDNBSSA-N 0 0 194.274 2.047 10 0 AEAERN CC1CCC([C@@H](O)[C@@H]2CCCO2)CC1 83711243 573595488 /nfs/dbraw/zinc/59/54/88/573595488.db2.gz PSQWNLLSXLKIAU-MMVSWEMESA-N 0 0 198.306 2.353 10 0 AEAERN CCc1ccc(CC)c(CNO)c1 258064278 573595519 /nfs/dbraw/zinc/59/55/19/573595519.db2.gz SXRVAIWOTYUKPT-UHFFFAOYSA-N 0 0 179.263 2.290 10 0 AEAERN C[C@]1(CO)CC[C@H]2CCC[C@@H]21 238455009 573595539 /nfs/dbraw/zinc/59/55/39/573595539.db2.gz JEJQFCSYRLLZCZ-KXUCPTDWSA-N 0 0 154.253 2.195 10 0 AEAERN CC(C)/C=C1\NC(=O)[C@@H]2CCCC[C@H]12 308405490 573595565 /nfs/dbraw/zinc/59/55/65/573595565.db2.gz MIJMPBKTFYNGSN-QHNMEFLSSA-N 0 0 193.290 2.463 10 0 AEAERN O=C(c1cccc(F)c1)[C@@H]1CCCO1 83710706 573595571 /nfs/dbraw/zinc/59/55/71/573595571.db2.gz HYGSXAMEFNSDDP-JTQLQIEISA-N 0 0 194.205 2.187 10 0 AEAERN O=C1c2oncc2CCC12CCCC2 107421508 573595580 /nfs/dbraw/zinc/59/55/80/573595580.db2.gz PWXNLAFXCIFVJR-UHFFFAOYSA-N 0 0 191.230 2.364 10 0 AEAERN CC[C@H](CCOC)Nc1nc(C)co1 308632666 573595589 /nfs/dbraw/zinc/59/55/89/573595589.db2.gz ZPSFBCITVVUQIB-SECBINFHSA-N 0 0 198.266 2.210 10 0 AEAERN O[C@H](c1cccc(F)c1)[C@H]1CCCO1 83711523 573595649 /nfs/dbraw/zinc/59/56/49/573595649.db2.gz BBHAQPXVUMVHAT-GHMZBOCLSA-N 0 0 196.221 2.038 10 0 AEAERN Cc1cc([C@@H](O)[C@@H]2CCCO2)cs1 83711780 573595807 /nfs/dbraw/zinc/59/58/07/573595807.db2.gz VKVVOMAWNZCIGU-VHSXEESVSA-N 0 0 198.287 2.269 10 0 AEAERN Cc1ccccc1[C@@H](O)[C@H]1CCCO1 83711635 573595849 /nfs/dbraw/zinc/59/58/49/573595849.db2.gz KACWIRQAFBRMGE-VXGBXAGGSA-N 0 0 192.258 2.207 10 0 AEAERN CCC(CC)CN1CN=NC1=S 130484849 573595952 /nfs/dbraw/zinc/59/59/52/573595952.db2.gz HCOANBGSXOOEHC-UHFFFAOYSA-N 0 0 185.296 2.003 10 0 AEAERN C[C@H]1C[C@@H](Cc2ccccc2)C1=O 238456148 573596005 /nfs/dbraw/zinc/59/60/05/573596005.db2.gz USEFLEMSEFNYKA-ONGXEEELSA-N 0 0 174.243 2.454 10 0 AEAERN CCCCCC[C@H](O)[C@H]1CCCO1 83711306 573596126 /nfs/dbraw/zinc/59/61/26/573596126.db2.gz XCPCRUSGYQGSPZ-WDEREUQCSA-N 0 0 186.295 2.497 10 0 AEAERN CCC1(CC)C(=O)N[C@@H]1[C@@]1(C)C[C@@H]1C 714718366 573596127 /nfs/dbraw/zinc/59/61/27/573596127.db2.gz PYZLJDXEEVMCHL-NGZCFLSTSA-N 0 0 195.306 2.337 10 0 AEAERN Cc1ccccc1C(=O)[C@@H]1CCCO1 83710764 573596180 /nfs/dbraw/zinc/59/61/80/573596180.db2.gz XSJFFWWUBGIPIR-NSHDSACASA-N 0 0 190.242 2.357 10 0 AEAERN CCOC(=O)N1CCC[C@@H]2CCC[C@H]21 83702649 573596186 /nfs/dbraw/zinc/59/61/86/573596186.db2.gz NGVYLFLZPXWHIH-VHSXEESVSA-N 0 0 197.278 2.407 10 0 AEAERN COc1ccc(N)c2cc(O)ccc12 259523220 573596229 /nfs/dbraw/zinc/59/62/29/573596229.db2.gz AKMUKPOITWUGST-UHFFFAOYSA-N 0 0 189.214 2.136 10 0 AEAERN Cc1cc(C(=O)[C@H]2CCCO2)cs1 83710826 573596231 /nfs/dbraw/zinc/59/62/31/573596231.db2.gz RBUYSNGXCWZOSF-SECBINFHSA-N 0 0 196.271 2.418 10 0 AEAERN CC(C)c1cc2nnnc(Cl)c2o1 257835388 573596292 /nfs/dbraw/zinc/59/62/92/573596292.db2.gz AIQJZDUEPOVZOJ-UHFFFAOYSA-N 0 0 197.625 2.395 10 0 AEAERN Cc1ccccc1C(=O)[C@H]1CCCO1 83710765 573596334 /nfs/dbraw/zinc/59/63/34/573596334.db2.gz XSJFFWWUBGIPIR-LLVKDONJSA-N 0 0 190.242 2.357 10 0 AEAERN Cc1cc(N)nc(C(F)F)c1C 238455078 573596367 /nfs/dbraw/zinc/59/63/67/573596367.db2.gz IWBAAKCWNSKTDA-UHFFFAOYSA-N 0 0 172.178 2.218 10 0 AEAERN Cc1cccc(C2C(=O)C=NN2C)c1 257833793 573596393 /nfs/dbraw/zinc/59/63/93/573596393.db2.gz KESOHPNRUPKZFL-UHFFFAOYSA-N 0 0 188.230 2.101 10 0 AEAERN Cc1ccc(O)c(C(=S)S)c1 238455843 573596409 /nfs/dbraw/zinc/59/64/09/573596409.db2.gz SSLNGUOQEOOKOR-UHFFFAOYSA-N 0 0 184.285 2.306 10 0 AEAERN CCn1cncc1-c1ccccc1N 259523475 573596413 /nfs/dbraw/zinc/59/64/13/573596413.db2.gz AMJWWGSPAIFSCY-UHFFFAOYSA-N 0 0 187.246 2.152 10 0 AEAERN Cc1ccc(C)c([C@@](C)(F)CO)c1 257832715 573596423 /nfs/dbraw/zinc/59/64/23/573596423.db2.gz KTADCRWTRULRSM-NSHDSACASA-N 0 0 182.238 2.480 10 0 AEAERN CC1CCC([C@@H](O)[C@H]2CCCO2)CC1 83711246 573596450 /nfs/dbraw/zinc/59/64/50/573596450.db2.gz PSQWNLLSXLKIAU-KIDURHIOSA-N 0 0 198.306 2.353 10 0 AEAERN CC[C@@](C)(O)[C@@H]1CCc2cccnc21 86734810 573596451 /nfs/dbraw/zinc/59/64/51/573596451.db2.gz BBSSBJYYKDMBTC-ZYHUDNBSSA-N 0 0 191.274 2.272 10 0 AEAERN O[C@@H](C1CCCCC1)[C@H]1CCCO1 83711114 573596509 /nfs/dbraw/zinc/59/65/09/573596509.db2.gz VCQBUPHNFOCWQX-MNOVXSKESA-N 0 0 184.279 2.107 10 0 AEAERN CC(C)/C=C1\NC(=O)[C@@H]2CCCC[C@@H]12 308405492 573596517 /nfs/dbraw/zinc/59/65/17/573596517.db2.gz MIJMPBKTFYNGSN-RSOYDTTOSA-N 0 0 193.290 2.463 10 0 AEAERN O=C1c2cnoc2CCC12CCCC2 107421511 573596533 /nfs/dbraw/zinc/59/65/33/573596533.db2.gz YTOQUHJXBHIWJO-UHFFFAOYSA-N 0 0 191.230 2.364 10 0 AEAERN O=C(c1ccsc1)[C@H]1CCCO1 83710761 573596557 /nfs/dbraw/zinc/59/65/57/573596557.db2.gz GOFBOCDCRQBATR-MRVPVSSYSA-N 0 0 182.244 2.110 10 0 AEAERN CC(=O)[C@]1(C)[C@@H](C)[C@@]1(C)Cl 238455096 573596576 /nfs/dbraw/zinc/59/65/76/573596576.db2.gz PLSXRMMTSBBJSX-MHSYXAOVSA-N 0 0 160.644 2.229 10 0 AEAERN CC(=O)c1scc2c1COCC2 82395246 573596657 /nfs/dbraw/zinc/59/66/57/573596657.db2.gz PNOHTKDKUYTKTE-UHFFFAOYSA-N 0 0 182.244 2.023 10 0 AEAERN Cc1cccc(C)c1-c1nccc(N)n1 126597639 573596665 /nfs/dbraw/zinc/59/66/65/573596665.db2.gz BKTWJCKPKQJXSR-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CCONC/C=C\c1ccccc1 214527043 573596668 /nfs/dbraw/zinc/59/66/68/573596668.db2.gz LIUTYBBXQIANJB-TWGQIWQCSA-N 0 0 177.247 2.241 10 0 AEAERN COCC[C@H](C)CC(=O)C1CC1 162447555 573596669 /nfs/dbraw/zinc/59/66/69/573596669.db2.gz RNCONKHVNDIBBW-QMMMGPOBSA-N 0 0 170.252 2.028 10 0 AEAERN Cc1cc(Cl)nc([C@H]2CCCO2)n1 83710616 573596737 /nfs/dbraw/zinc/59/67/37/573596737.db2.gz XYXOVXGZGLYPGA-SSDOTTSWSA-N 0 0 198.653 2.290 10 0 AEAERN O[C@H](CC1CCCC1)[C@H]1CCCO1 83711069 573596741 /nfs/dbraw/zinc/59/67/41/573596741.db2.gz IERUYHXCQCKVNX-GHMZBOCLSA-N 0 0 184.279 2.107 10 0 AEAERN Cc1cccc(C(=O)[C@H]2CCCO2)c1 83711006 573596764 /nfs/dbraw/zinc/59/67/64/573596764.db2.gz JTUMJARUJYXIKF-LLVKDONJSA-N 0 0 190.242 2.357 10 0 AEAERN CCOC(=O)N1CCC[C@H]2CCC[C@@H]21 83702640 573596794 /nfs/dbraw/zinc/59/67/94/573596794.db2.gz NGVYLFLZPXWHIH-ZJUUUORDSA-N 0 0 197.278 2.407 10 0 AEAERN CC(C)(O)[C@H]1CCCc2cccnc21 86734792 573596851 /nfs/dbraw/zinc/59/68/51/573596851.db2.gz MRZUVTJHTUQMID-JTQLQIEISA-N 0 0 191.274 2.272 10 0 AEAERN Cc1csc([C@@H](CO)C(C)C)n1 259137554 573597823 /nfs/dbraw/zinc/59/78/23/573597823.db2.gz HHNMGJDWZCKPHA-QMMMGPOBSA-N 0 0 185.292 2.183 10 0 AEAERN CC(=O)[C@@H]1CC=C(C)[C@H]1C 238456529 573597780 /nfs/dbraw/zinc/59/77/80/573597780.db2.gz TWNLXCKMTNGYKR-VXNVDRBHSA-N 0 0 138.210 2.178 10 0 AEAERN C[C@H](C(=O)OCCCF)C(C)(F)F 393539638 573597754 /nfs/dbraw/zinc/59/77/54/573597754.db2.gz CUPMMGKORMGYEG-ZCFIWIBFSA-N 0 0 198.184 2.181 10 0 AEAERN Cc1cc([C@@H](O)[C@H]2CCCO2)cs1 83711784 573597555 /nfs/dbraw/zinc/59/75/55/573597555.db2.gz VKVVOMAWNZCIGU-NXEZZACHSA-N 0 0 198.287 2.269 10 0 AEAERN Cc1c(CO)cccc1OC(F)F 238457144 573597623 /nfs/dbraw/zinc/59/76/23/573597623.db2.gz SGQNALVCTZUMFG-UHFFFAOYSA-N 0 0 188.173 2.089 10 0 AEAERN Cc1cccc(CNOC(C)C)c1 393539637 573597639 /nfs/dbraw/zinc/59/76/39/573597639.db2.gz ZMLCQCOJPRTMDH-UHFFFAOYSA-N 0 0 179.263 2.425 10 0 AEAERN Cc1csc([C@H](CO)C(C)C)n1 259137549 573597676 /nfs/dbraw/zinc/59/76/76/573597676.db2.gz HHNMGJDWZCKPHA-MRVPVSSYSA-N 0 0 185.292 2.183 10 0 AEAERN CC(C)Cc1c(C=O)csc1N 75526223 573597719 /nfs/dbraw/zinc/59/77/19/573597719.db2.gz BBSFSDMFRPSHMB-UHFFFAOYSA-N 0 0 183.276 2.341 10 0 AEAERN CCOc1cccc([C@H](F)CO)c1 257835612 573599020 /nfs/dbraw/zinc/59/90/20/573599020.db2.gz LXIMWZTWPDIEQE-SNVBAGLBSA-N 0 0 184.210 2.088 10 0 AEAERN CC(C)(C)c1cn2c(n1)[C@@H](O)CCC2 257835891 573599047 /nfs/dbraw/zinc/59/90/47/573599047.db2.gz KPNFPDGCBWQSGN-QMMMGPOBSA-N 0 0 194.278 2.008 10 0 AEAERN CC(C)c1cnccc1[C@@H](C)O 259137735 573598780 /nfs/dbraw/zinc/59/87/80/573598780.db2.gz GJQWWADURVGSJX-MRVPVSSYSA-N 0 0 165.236 2.258 10 0 AEAERN CCC(=O)[C@@H]1CCCc2cccnc21 86735786 573598806 /nfs/dbraw/zinc/59/88/06/573598806.db2.gz SFGQCQXPLNAXNU-JTQLQIEISA-N 0 0 189.258 2.481 10 0 AEAERN CC(C)c1cocc1C=O 75525408 573598808 /nfs/dbraw/zinc/59/88/08/573598808.db2.gz LYKOZRTYVSNGTG-UHFFFAOYSA-N 0 0 138.166 2.216 10 0 AEAERN COCC(C)(C)c1ccccc1CO 259523596 573598822 /nfs/dbraw/zinc/59/88/22/573598822.db2.gz SURKKGXXTDVJFU-UHFFFAOYSA-N 0 0 194.274 2.103 10 0 AEAERN Cc1cc(Cl)nc([C@@H]2CCCO2)n1 83710615 573598870 /nfs/dbraw/zinc/59/88/70/573598870.db2.gz XYXOVXGZGLYPGA-ZETCQYMHSA-N 0 0 198.653 2.290 10 0 AEAERN CCCCCC(=O)[C@@H]1CCCO1 83710880 573598902 /nfs/dbraw/zinc/59/89/02/573598902.db2.gz UBBUGYQEUGTHPX-JTQLQIEISA-N 0 0 170.252 2.315 10 0 AEAERN CO[C@@H](N)c1ccc(Cl)s1 259522835 573598959 /nfs/dbraw/zinc/59/89/59/573598959.db2.gz SGGAGVFAHVWETL-ZCFIWIBFSA-N 0 0 177.656 2.005 10 0 AEAERN Nc1occ(C=O)c1C1CCCC1 75525897 573598963 /nfs/dbraw/zinc/59/89/63/573598963.db2.gz ZAWADUYXKXFRQY-UHFFFAOYSA-N 0 0 179.219 2.332 10 0 AEAERN COc1cc(C)c(C)cc1SCO 259138194 573598975 /nfs/dbraw/zinc/59/89/75/573598975.db2.gz DMNLTONBPDJOFI-UHFFFAOYSA-N 0 0 198.287 2.354 10 0 AEAERN O[C@@H](c1cccc(F)c1)[C@@H]1CCCO1 83711518 573598993 /nfs/dbraw/zinc/59/89/93/573598993.db2.gz BBHAQPXVUMVHAT-QWRGUYRKSA-N 0 0 196.221 2.038 10 0 AEAERN COc1ccc2noc(C(C)=O)c2c1 257836055 573599014 /nfs/dbraw/zinc/59/90/14/573599014.db2.gz KTJGONJCWJWWMN-UHFFFAOYSA-N 0 0 191.186 2.039 10 0 AEAERN CC[C@@H](O)[C@@H]1CCCc2cccnc21 86735255 573599015 /nfs/dbraw/zinc/59/90/15/573599015.db2.gz GDKOJQMKFDKLNS-WDEREUQCSA-N 0 0 191.274 2.272 10 0 AEAERN Nc1scc(C=O)c1-c1ccco1 75526377 573599906 /nfs/dbraw/zinc/59/99/06/573599906.db2.gz KIUJYMPSXMNIGK-UHFFFAOYSA-N 0 0 193.227 2.403 10 0 AEAERN O[C@@H](CC1CCCC1)[C@H]1CCCO1 83711068 573600444 /nfs/dbraw/zinc/60/04/44/573600444.db2.gz IERUYHXCQCKVNX-WDEREUQCSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@@H]1C=C[C@@H]([C@H](C)CO)CC1 238445825 573599976 /nfs/dbraw/zinc/59/99/76/573599976.db2.gz NBGJJZMWKCRMQP-OPRDCNLKSA-N 0 0 154.253 2.217 10 0 AEAERN C[C@H]1CCC[C@H](C)C1n1cc(N)cn1 238457501 573600020 /nfs/dbraw/zinc/60/00/20/573600020.db2.gz CRAIWSUYQAYOAQ-IUCAKERBSA-N 0 0 193.294 2.463 10 0 AEAERN O=C(C1CC1)[C@H]1CCc2cccnc21 86735819 573600025 /nfs/dbraw/zinc/60/00/25/573600025.db2.gz VCTAZFPNQRVVMX-JTQLQIEISA-N 0 0 187.242 2.091 10 0 AEAERN Cc1nc(-c2cccc(CO)c2)co1 257836032 573600045 /nfs/dbraw/zinc/60/00/45/573600045.db2.gz KSZPRCILJXYYRO-UHFFFAOYSA-N 0 0 189.214 2.142 10 0 AEAERN O[C@@H](C1CCCCC1)[C@@H]1CCCO1 83711111 573600046 /nfs/dbraw/zinc/60/00/46/573600046.db2.gz VCQBUPHNFOCWQX-QWRGUYRKSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@H]1Cc2cccc(C=O)c2[C@@H](O)C1 238456563 573600089 /nfs/dbraw/zinc/60/00/89/573600089.db2.gz YNMZUBVEHLRUAN-KWQFWETISA-N 0 0 190.242 2.115 10 0 AEAERN C[C@@H]1c2c(F)cccc2CC[C@H]1O 259137951 573600165 /nfs/dbraw/zinc/60/01/65/573600165.db2.gz GKHMDGSLWQTWFT-OIBJUYFYSA-N 0 0 180.222 2.236 10 0 AEAERN CC[C@H](O)[C@H]1CCCc2cccnc21 86735258 573600178 /nfs/dbraw/zinc/60/01/78/573600178.db2.gz GDKOJQMKFDKLNS-MNOVXSKESA-N 0 0 191.274 2.272 10 0 AEAERN CCOC(=O)N1CCC[C@@H]2CCC[C@@H]21 83702644 573600451 /nfs/dbraw/zinc/60/04/51/573600451.db2.gz NGVYLFLZPXWHIH-UWVGGRQHSA-N 0 0 197.278 2.407 10 0 AEAERN CO[C@H](C)CC[C@@H](O)CC(C)C 130490896 573600186 /nfs/dbraw/zinc/60/01/86/573600186.db2.gz FVGJMOFVAGIXET-NXEZZACHSA-N 0 0 174.284 2.209 10 0 AEAERN COC(=O)CC[C@H]1CCCCS1 259523084 573600215 /nfs/dbraw/zinc/60/02/15/573600215.db2.gz DMUMMMABTPJXNY-MRVPVSSYSA-N 0 0 188.292 2.225 10 0 AEAERN CCC[C@@H](O)[C@H]1CCc2cccnc21 86735209 573600257 /nfs/dbraw/zinc/60/02/57/573600257.db2.gz LVAONJYVHAPHRQ-GHMZBOCLSA-N 0 0 191.274 2.272 10 0 AEAERN O=C1CCC(CNc2cc[nH]c2)CC1 258818574 573600285 /nfs/dbraw/zinc/60/02/85/573600285.db2.gz CECPFOGPFNVPKV-UHFFFAOYSA-N 0 0 192.262 2.186 10 0 AEAERN CC[C@H](O)[C@@H]1CCCc2cccnc21 86735252 573600287 /nfs/dbraw/zinc/60/02/87/573600287.db2.gz GDKOJQMKFDKLNS-QWRGUYRKSA-N 0 0 191.274 2.272 10 0 AEAERN CC1CCC([C@H](O)[C@H]2CCCO2)CC1 83711245 573600325 /nfs/dbraw/zinc/60/03/25/573600325.db2.gz PSQWNLLSXLKIAU-HCWSGVFWSA-N 0 0 198.306 2.353 10 0 AEAERN O=Cc1cocc1-c1ccncc1 75525543 573600368 /nfs/dbraw/zinc/60/03/68/573600368.db2.gz XPQVFLJQYFGRKV-UHFFFAOYSA-N 0 0 173.171 2.154 10 0 AEAERN CC(=O)c1n[nH]c2cccc(Cl)c12 107428572 573600370 /nfs/dbraw/zinc/60/03/70/573600370.db2.gz BRESBEZKTKXHBB-UHFFFAOYSA-N 0 0 194.621 2.419 10 0 AEAERN Cc1cc(N)ncc1OC1CCCC1 238457275 573600408 /nfs/dbraw/zinc/60/04/08/573600408.db2.gz LIQITCHSBNJJQP-UHFFFAOYSA-N 0 0 192.262 2.294 10 0 AEAERN COC(=O)CC[C@@H]1CCCCS1 259523087 573600413 /nfs/dbraw/zinc/60/04/13/573600413.db2.gz DMUMMMABTPJXNY-QMMMGPOBSA-N 0 0 188.292 2.225 10 0 AEAERN Cc1[nH]c([C@@H]2CC[C@H](C)C2)nc1O 235622026 573600415 /nfs/dbraw/zinc/60/04/15/573600415.db2.gz UKTBNXFZACCXCF-POYBYMJQSA-N 0 0 180.251 2.327 10 0 AEAERN CCC(=O)[C@@H]1CCc2cccnc21 86735791 573600802 /nfs/dbraw/zinc/60/08/02/573600802.db2.gz SQFBOFCIBLFUSL-VIFPVBQESA-N 0 0 175.231 2.091 10 0 AEAERN OC1([C@H]2CCc3cccnc32)CCC1 86735578 573600809 /nfs/dbraw/zinc/60/08/09/573600809.db2.gz AURIWRVARZKTIK-JTQLQIEISA-N 0 0 189.258 2.026 10 0 AEAERN CC(C)c1cnccc1[C@H](C)O 259137763 573600943 /nfs/dbraw/zinc/60/09/43/573600943.db2.gz GJQWWADURVGSJX-QMMMGPOBSA-N 0 0 165.236 2.258 10 0 AEAERN OC[C@H]1CCC12CCCCC2 258458881 573600956 /nfs/dbraw/zinc/60/09/56/573600956.db2.gz GTWHUYKOURQHIY-SECBINFHSA-N 0 0 154.253 2.339 10 0 AEAERN CC(=O)CC[C@H]1CCc2cccnc21 86737985 573600963 /nfs/dbraw/zinc/60/09/63/573600963.db2.gz UGKNXKPJRMSWSD-NSHDSACASA-N 0 0 189.258 2.481 10 0 AEAERN CC1(c2nnc(C=O)o2)CCCCC1 259527755 573601024 /nfs/dbraw/zinc/60/10/24/573601024.db2.gz AVSXFDYYWPMGID-UHFFFAOYSA-N 0 0 194.234 2.104 10 0 AEAERN Cc1ccc(O)c([C@@H](C)[C@@H](C)O)c1 238445939 573601036 /nfs/dbraw/zinc/60/10/36/573601036.db2.gz FCUNVNTYLQEYFX-DTWKUNHWSA-N 0 0 180.247 2.185 10 0 AEAERN Nc1cccc(N2CCC[C@H](F)C2)c1 257836146 573601057 /nfs/dbraw/zinc/60/10/57/573601057.db2.gz AMTTUJPIGCEROC-VIFPVBQESA-N 0 0 194.253 2.207 10 0 AEAERN O=Cc1cocc1C(F)(F)F 75525405 573601069 /nfs/dbraw/zinc/60/10/69/573601069.db2.gz YKBLCCWGAGTAQK-UHFFFAOYSA-N 0 0 164.082 2.111 10 0 AEAERN C[C@@H](O)CC[C@H]1CCc2cccnc21 86738475 573601178 /nfs/dbraw/zinc/60/11/78/573601178.db2.gz YPGBJFGRIAHOHS-KOLCDFICSA-N 0 0 191.274 2.272 10 0 AEAERN CCSC(=S)[C@H](C)[C@@H](O)CC 238278726 573601188 /nfs/dbraw/zinc/60/11/88/573601188.db2.gz SXGDHDZVCNNSIP-RQJHMYQMSA-N 0 0 192.349 2.474 10 0 AEAERN C[C@@H]1C[NH2+][C@H](c2ccccc2)[C@@H](C)O1 238456689 573601235 /nfs/dbraw/zinc/60/12/35/573601235.db2.gz PLIWPWADEAYKLO-FOGDFJRCSA-N 0 0 191.274 2.125 10 0 AEAERN CC(=O)c1nc(C)c(C(C)C)[nH]1 258502567 573601245 /nfs/dbraw/zinc/60/12/45/573601245.db2.gz FAXJQJQHZITYAQ-UHFFFAOYSA-N 0 0 166.224 2.044 10 0 AEAERN C[C@@H](N)c1nc(-c2ccccc2)co1 259525537 573601284 /nfs/dbraw/zinc/60/12/84/573601284.db2.gz ASBBPGNHUVFDQD-MRVPVSSYSA-N 0 0 188.230 2.361 10 0 AEAERN Cc1ccc(C)c2c1CC[C@@H](CO)C2 238456885 573601343 /nfs/dbraw/zinc/60/13/43/573601343.db2.gz YGELXDRDTMSLFH-LLVKDONJSA-N 0 0 190.286 2.401 10 0 AEAERN CON[C@H](C)c1ccc(F)c(OC)c1 215474501 573601345 /nfs/dbraw/zinc/60/13/45/573601345.db2.gz GGOZMZNSBIHGFS-SSDOTTSWSA-N 0 0 199.225 2.046 10 0 AEAERN C[C@@H](C(=O)OCCCF)C(C)(F)F 393539636 573601381 /nfs/dbraw/zinc/60/13/81/573601381.db2.gz CUPMMGKORMGYEG-LURJTMIESA-N 0 0 198.184 2.181 10 0 AEAERN Cc1n[nH]c2ccc(Cl)c(N)c12 259527773 573601407 /nfs/dbraw/zinc/60/14/07/573601407.db2.gz RCURZLZCWYOMFV-UHFFFAOYSA-N 0 0 181.626 2.107 10 0 AEAERN CC1(C[C@@H](O)[C@H](O)C2CC2)CCCC1 308645391 573601410 /nfs/dbraw/zinc/60/14/10/573601410.db2.gz GZYCDBPOKIIVOX-GHMZBOCLSA-N 0 0 198.306 2.089 10 0 AEAERN CCCC(=O)[C@@H]1CCc2cccnc21 86735805 573601429 /nfs/dbraw/zinc/60/14/29/573601429.db2.gz GMTHJZJFVBTDQV-JTQLQIEISA-N 0 0 189.258 2.481 10 0 AEAERN OC[C@@H]1CCC12CCCCC2 258458884 573601431 /nfs/dbraw/zinc/60/14/31/573601431.db2.gz GTWHUYKOURQHIY-VIFPVBQESA-N 0 0 154.253 2.339 10 0 AEAERN CC(C)C(=O)[C@H]1CCc2cccnc21 86735783 573601460 /nfs/dbraw/zinc/60/14/60/573601460.db2.gz LLXXGIXKYVGDQQ-JTQLQIEISA-N 0 0 189.258 2.337 10 0 AEAERN C[C@@H](CO)C[C@@H]1CCc2cccnc21 86738579 573601511 /nfs/dbraw/zinc/60/15/11/573601511.db2.gz QVCZJHWOHJZFBX-KOLCDFICSA-N 0 0 191.274 2.130 10 0 AEAERN CC(C)(C)SC(C)(C)CO 259139428 573601520 /nfs/dbraw/zinc/60/15/20/573601520.db2.gz SZNFNHFTLMLNQY-UHFFFAOYSA-N 0 0 162.298 2.289 10 0 AEAERN CC(C)(C)c1cc2c(N)ncnc2o1 257836546 573601589 /nfs/dbraw/zinc/60/15/89/573601589.db2.gz KTSSTTVLRHRSPL-UHFFFAOYSA-N 0 0 191.234 2.103 10 0 AEAERN C[Si](C)(CO)CCC(F)(F)F 238456707 573601602 /nfs/dbraw/zinc/60/16/02/573601602.db2.gz XCRTUEGDJSAXMX-UHFFFAOYSA-N 0 0 186.249 2.179 10 0 AEAERN C[C@H](O)CC[C@@H]1CCc2cccnc21 86738469 573601603 /nfs/dbraw/zinc/60/16/03/573601603.db2.gz YPGBJFGRIAHOHS-GXSJLCMTSA-N 0 0 191.274 2.272 10 0 AEAERN C[C@H]1CNc2cc(N)ccc2[C@@H]1C 238446374 573604637 /nfs/dbraw/zinc/60/46/37/573604637.db2.gz CENKTHNPEFOQSK-JGVFFNPUSA-N 0 0 176.263 2.434 10 0 AEAERN C[C@@H]1CC(=O)NC2=C1CCC[C@H]2C 238447119 573602681 /nfs/dbraw/zinc/60/26/81/573602681.db2.gz SLKCKYNWRXTSMA-HTQZYQBOSA-N 0 0 179.263 2.217 10 0 AEAERN O=Cc1noc(C(F)(F)F)c1Cl 107435535 573602741 /nfs/dbraw/zinc/60/27/41/573602741.db2.gz DCWDVDDAPBQIOT-UHFFFAOYSA-N 0 0 199.515 2.159 10 0 AEAERN O=C(CC1CCCC1)[C@H]1CCOC1 83716070 573602799 /nfs/dbraw/zinc/60/27/99/573602799.db2.gz IGIJHIDHPQEVBL-JTQLQIEISA-N 0 0 182.263 2.172 10 0 AEAERN Fc1ccc(C2(Cl)COC2)cc1 258817868 573602860 /nfs/dbraw/zinc/60/28/60/573602860.db2.gz YLHMLTZJPGCGNV-UHFFFAOYSA-N 0 0 186.613 2.290 10 0 AEAERN CCCC(F)(F)C(C)(C)[NH3+] 259124953 573602879 /nfs/dbraw/zinc/60/28/79/573602879.db2.gz LJYCXBGQGOJPJP-UHFFFAOYSA-N 0 0 151.200 2.159 10 0 AEAERN C[C@H](CO)C[C@H]1CCc2cccnc21 86738580 573602880 /nfs/dbraw/zinc/60/28/80/573602880.db2.gz QVCZJHWOHJZFBX-GXSJLCMTSA-N 0 0 191.274 2.130 10 0 AEAERN C[C@H](N)c1nc(-c2ccccc2)co1 259525542 573602914 /nfs/dbraw/zinc/60/29/14/573602914.db2.gz ASBBPGNHUVFDQD-QMMMGPOBSA-N 0 0 188.230 2.361 10 0 AEAERN Cc1cc2sccn2c1 147435365 573602919 /nfs/dbraw/zinc/60/29/19/573602919.db2.gz VOAMQAQHYKIFBH-UHFFFAOYSA-N 0 0 137.207 2.309 10 0 AEAERN C[C@H]1CC2=C(NC1=O)[C@H](C)CCC2 238447146 573602935 /nfs/dbraw/zinc/60/29/35/573602935.db2.gz GYMFIQWFOWCLSU-SFYZADRCSA-N 0 0 179.263 2.217 10 0 AEAERN CO[C@@H](C)CC[C@H](O)CC(C)C 130491509 573602966 /nfs/dbraw/zinc/60/29/66/573602966.db2.gz FVGJMOFVAGIXET-UWVGGRQHSA-N 0 0 174.284 2.209 10 0 AEAERN C[C@@H](O)c1csc([C@H]2CCCO2)n1 83714524 573603173 /nfs/dbraw/zinc/60/31/73/573603173.db2.gz SZPBKLSOEYDVFP-HTRCEHHLSA-N 0 0 199.275 2.048 10 0 AEAERN C[C@H](O)c1csc([C@@H]2CCCO2)n1 83714519 573603109 /nfs/dbraw/zinc/60/31/09/573603109.db2.gz SZPBKLSOEYDVFP-XPUUQOCRSA-N 0 0 199.275 2.048 10 0 AEAERN CCc1ccc(CC2(O)CCC2)nc1 86735567 573603148 /nfs/dbraw/zinc/60/31/48/573603148.db2.gz NVZMQTZHZGDZHV-UHFFFAOYSA-N 0 0 191.274 2.102 10 0 AEAERN Cc1cccc(S[C@H](C)[NH3+])c1 259140709 573603164 /nfs/dbraw/zinc/60/31/64/573603164.db2.gz DSCHSUONTIWRBQ-MRVPVSSYSA-N 0 0 167.277 2.392 10 0 AEAERN C[C@H](O)CC[C@H]1CCc2cccnc21 86738473 573603289 /nfs/dbraw/zinc/60/32/89/573603289.db2.gz YPGBJFGRIAHOHS-ONGXEEELSA-N 0 0 191.274 2.272 10 0 AEAERN C[C@H]1C=C[C@@H]2[C@@H]1C(=O)C2(C)C 238447044 573603315 /nfs/dbraw/zinc/60/33/15/573603315.db2.gz VJNBIIGQNWWPKQ-XLPZGREQSA-N 0 0 150.221 2.034 10 0 AEAERN C[C@H](O)C[C@@H](C)C1(O)CCCCC1 238446226 573603334 /nfs/dbraw/zinc/60/33/34/573603334.db2.gz JDYFDZTWTFVBRO-ZJUUUORDSA-N 0 0 186.295 2.089 10 0 AEAERN CCCC(=O)[C@H]1CCc2cccnc21 86735807 573603448 /nfs/dbraw/zinc/60/34/48/573603448.db2.gz GMTHJZJFVBTDQV-SNVBAGLBSA-N 0 0 189.258 2.481 10 0 AEAERN C[C@@H]1C=Nc2ccccc2NC1 238446812 573603457 /nfs/dbraw/zinc/60/34/57/573603457.db2.gz WAEMDIJRGFTPDD-MRVPVSSYSA-N 0 0 160.220 2.451 10 0 AEAERN COC(=O)C1=Cc2cccc(C)c2C1 259525530 573603465 /nfs/dbraw/zinc/60/34/65/573603465.db2.gz ARWDHQACDABIRP-UHFFFAOYSA-N 0 0 188.226 2.108 10 0 AEAERN C[C@H]1CC(=O)NC2=C1CCC[C@H]2C 238447102 573603476 /nfs/dbraw/zinc/60/34/76/573603476.db2.gz SLKCKYNWRXTSMA-SFYZADRCSA-N 0 0 179.263 2.217 10 0 AEAERN C[C@H]1C=CNC(=O)C[C@H]1c1ccco1 238446004 573603555 /nfs/dbraw/zinc/60/35/55/573603555.db2.gz ZCOGUHQWDPQOQL-DTWKUNHWSA-N 0 0 191.230 2.033 10 0 AEAERN COC[C@@H]1CCCc2cc(O)ccc21 257836621 573603559 /nfs/dbraw/zinc/60/35/59/573603559.db2.gz KXFKANXZNIHHLY-JTQLQIEISA-N 0 0 192.258 2.459 10 0 AEAERN CCC[C@H](O)[C@@H]1CCc2cccnc21 86735203 573603600 /nfs/dbraw/zinc/60/36/00/573603600.db2.gz LVAONJYVHAPHRQ-QWRGUYRKSA-N 0 0 191.274 2.272 10 0 AEAERN Cc1cc(F)ccc1C1(CO)CC1 257836448 573603633 /nfs/dbraw/zinc/60/36/33/573603633.db2.gz MFMJMJPBPLEABI-UHFFFAOYSA-N 0 0 180.222 2.158 10 0 AEAERN CO[C@H](C)CC[C@H](O)CC(C)C 130491103 573603636 /nfs/dbraw/zinc/60/36/36/573603636.db2.gz FVGJMOFVAGIXET-ZJUUUORDSA-N 0 0 174.284 2.209 10 0 AEAERN OC1(CC2CCSCC2)CCC1 258071202 573603670 /nfs/dbraw/zinc/60/36/70/573603670.db2.gz QKCYKAHWQKMVOS-UHFFFAOYSA-N 0 0 186.320 2.435 10 0 AEAERN COC[C@H]1CCCc2cc(O)ccc21 257836622 573603675 /nfs/dbraw/zinc/60/36/75/573603675.db2.gz KXFKANXZNIHHLY-SNVBAGLBSA-N 0 0 192.258 2.459 10 0 AEAERN CCOC(=O)N1CCCCC[C@@H]1C 78746172 573603687 /nfs/dbraw/zinc/60/36/87/573603687.db2.gz NQCRNBYVIAMJCQ-VIFPVBQESA-N 0 0 185.267 2.407 10 0 AEAERN C[C@@H](O)CC[C@@H]1CCc2cccnc21 86738471 573603698 /nfs/dbraw/zinc/60/36/98/573603698.db2.gz YPGBJFGRIAHOHS-MWLCHTKSSA-N 0 0 191.274 2.272 10 0 AEAERN OC1([C@@H]2CCc3cccnc32)CCC1 86735577 573603714 /nfs/dbraw/zinc/60/37/14/573603714.db2.gz AURIWRVARZKTIK-SNVBAGLBSA-N 0 0 189.258 2.026 10 0 AEAERN C[C@@H]1C[NH2+][C@@H]1c1cc(F)ccc1F 259140302 573606264 /nfs/dbraw/zinc/60/62/64/573606264.db2.gz JUQMARSLOQGKAB-LDWIPMOCSA-N 0 0 183.201 2.245 10 0 AEAERN C[C@H](O)c1cnc([C@H]2CCCO2)s1 83714516 573603765 /nfs/dbraw/zinc/60/37/65/573603765.db2.gz GDKILGZCONCUHX-NKWVEPMBSA-N 0 0 199.275 2.048 10 0 AEAERN C[C@H]1CC[C@H]2CCC(=O)[C@@H]12 238447003 573603848 /nfs/dbraw/zinc/60/38/48/573603848.db2.gz WGCWRGJIUOJYOA-ZKWXMUAHSA-N 0 0 138.210 2.012 10 0 AEAERN CSc1c(O)cccc1[C@@H](C)CO 258071488 573603912 /nfs/dbraw/zinc/60/39/12/573603912.db2.gz HZYRYFYSIXIVSY-ZETCQYMHSA-N 0 0 198.287 2.210 10 0 AEAERN OCC[C@@H]1C=Cc2ccccc21 147157295 573603981 /nfs/dbraw/zinc/60/39/81/573603981.db2.gz BHLPXOCOLGSUHH-JTQLQIEISA-N 0 0 160.216 2.179 10 0 AEAERN C[C@@H]1C=C[C@H](C)[C@@H]2CC(=O)C[C@H]12 238446527 573603986 /nfs/dbraw/zinc/60/39/86/573603986.db2.gz FNRYJAURCWQEFO-CBZSFBHOSA-N 0 0 164.248 2.424 10 0 AEAERN COc1c(C)cc(F)cc1CCCO 258071610 573604175 /nfs/dbraw/zinc/60/41/75/573604175.db2.gz IDMKVYVBAOUDSO-UHFFFAOYSA-N 0 0 198.237 2.068 10 0 AEAERN CC(=O)c1cnc([C@@H]2CCCO2)s1 83714314 573604176 /nfs/dbraw/zinc/60/41/76/573604176.db2.gz DODHCYYXNOUGSW-ZETCQYMHSA-N 0 0 197.259 2.197 10 0 AEAERN Cc1cc(F)ccc1C(C)(C)CO 257836371 573606212 /nfs/dbraw/zinc/60/62/12/573606212.db2.gz MEKVXKGPYUDJSG-UHFFFAOYSA-N 0 0 182.238 2.404 10 0 AEAERN C[C@H]1C(=O)[C@@H]2CCCCC[C@H]12 238447238 573604240 /nfs/dbraw/zinc/60/42/40/573604240.db2.gz FHKLFGDORANJBM-IWSPIJDZSA-N 0 0 152.237 2.402 10 0 AEAERN CCSCc1ccc(O)cc1N 258071156 573604287 /nfs/dbraw/zinc/60/42/87/573604287.db2.gz HKIMLNQJRJDEAA-UHFFFAOYSA-N 0 0 183.276 2.228 10 0 AEAERN C[C@H](O)CSc1ccsc1 238446047 573604399 /nfs/dbraw/zinc/60/43/99/573604399.db2.gz NDNKBIXZYKNZTP-LURJTMIESA-N 0 0 174.290 2.221 10 0 AEAERN COc1csc(C2CCC2)n1 259140642 573604430 /nfs/dbraw/zinc/60/44/30/573604430.db2.gz CUSPORQROSTSLO-UHFFFAOYSA-N 0 0 169.249 2.419 10 0 AEAERN CCCCc1nc(F)cc(COC)n1 690046660 573604469 /nfs/dbraw/zinc/60/44/69/573604469.db2.gz IKNHLSBHOBZPKX-UHFFFAOYSA-N 0 0 198.241 2.105 10 0 AEAERN C[C@H]1C=CNC(=O)N1c1ccccc1 238446035 573604595 /nfs/dbraw/zinc/60/45/95/573604595.db2.gz DQDDTVLJCOJWNV-VIFPVBQESA-N 0 0 188.230 2.118 10 0 AEAERN C[C@@H]1c2ccc(N)cc2NC[C@@H]1C 238446390 573604627 /nfs/dbraw/zinc/60/46/27/573604627.db2.gz CENKTHNPEFOQSK-YUMQZZPRSA-N 0 0 176.263 2.434 10 0 AEAERN O=Cc1csc2[nH]ccc12 75539148 573604662 /nfs/dbraw/zinc/60/46/62/573604662.db2.gz MPBGIFASRUNICH-UHFFFAOYSA-N 0 0 151.190 2.042 10 0 AEAERN Cc1ccsc1-c1[nH+]c(N)[nH]c1C 259125018 573604746 /nfs/dbraw/zinc/60/47/46/573604746.db2.gz LKOAJEAFFHHOFY-UHFFFAOYSA-N 0 0 193.275 2.337 10 0 AEAERN Cc1ccc(C(=O)[C@@H]2CCO[C@H]2C)o1 86756655 573604753 /nfs/dbraw/zinc/60/47/53/573604753.db2.gz PQFAIIZVWWWYKQ-DTWKUNHWSA-N 0 0 194.230 2.196 10 0 AEAERN C[C@@H]1CC2=C(NC1=O)[C@H](C)CCC2 238447166 573604755 /nfs/dbraw/zinc/60/47/55/573604755.db2.gz GYMFIQWFOWCLSU-HTQZYQBOSA-N 0 0 179.263 2.217 10 0 AEAERN C[C@@H]1CC[C@H]2C(=O)CC[C@@H]2C1 238446008 573604768 /nfs/dbraw/zinc/60/47/68/573604768.db2.gz XHNOTRWDCDSVIK-IWSPIJDZSA-N 0 0 152.237 2.402 10 0 AEAERN Cc1ccc(C(=O)[C@H]2CCO[C@H]2C)o1 86756658 573604790 /nfs/dbraw/zinc/60/47/90/573604790.db2.gz PQFAIIZVWWWYKQ-IUCAKERBSA-N 0 0 194.230 2.196 10 0 AEAERN O=Cc1cc2ccsc2[nH]1 75539147 573604797 /nfs/dbraw/zinc/60/47/97/573604797.db2.gz UTWNOEXSHAJIBS-UHFFFAOYSA-N 0 0 151.190 2.042 10 0 AEAERN C[C@@H]1OCC[C@@H]1[C@H](O)C1=CCCCC1 86760303 573604798 /nfs/dbraw/zinc/60/47/98/573604798.db2.gz OYQRPRBPIKKLHY-ZMLRMANQSA-N 0 0 196.290 2.273 10 0 AEAERN C[C@@H]1C[NH2+][C@H]1c1cc(F)ccc1F 259140305 573604824 /nfs/dbraw/zinc/60/48/24/573604824.db2.gz JUQMARSLOQGKAB-LHLIQPBNSA-N 0 0 183.201 2.245 10 0 AEAERN CCc1ccc(C[C@@H](C)O)cc1C 258066883 573604891 /nfs/dbraw/zinc/60/48/91/573604891.db2.gz UAHBIHWQUJEHPN-SNVBAGLBSA-N 0 0 178.275 2.481 10 0 AEAERN C[C@H]1C[NH2+][C@@H]1c1cc(F)ccc1F 259140312 573604899 /nfs/dbraw/zinc/60/48/99/573604899.db2.gz JUQMARSLOQGKAB-WKEGUHRASA-N 0 0 183.201 2.245 10 0 AEAERN CCc1ccc(C=O)c(OC)c1F 257836413 573605000 /nfs/dbraw/zinc/60/50/00/573605000.db2.gz LDRINUUYESCQAE-UHFFFAOYSA-N 0 0 182.194 2.209 10 0 AEAERN ClC1(C2CCCC2)COC1 258817728 573605002 /nfs/dbraw/zinc/60/50/02/573605002.db2.gz YGINTGRTGZJZKX-UHFFFAOYSA-N 0 0 160.644 2.184 10 0 AEAERN Cc1ccc(C(=O)[C@@H]2CCO[C@@H]2C)o1 86756650 573605044 /nfs/dbraw/zinc/60/50/44/573605044.db2.gz PQFAIIZVWWWYKQ-RKDXNWHRSA-N 0 0 194.230 2.196 10 0 AEAERN CCOCC1(c2ccc(O)cc2)CC1 259527751 573605092 /nfs/dbraw/zinc/60/50/92/573605092.db2.gz AVROZJUKUNLPLN-UHFFFAOYSA-N 0 0 192.258 2.460 10 0 AEAERN C[C@H](O)c1ccccc1[C@@H](C)[C@@H](C)O 238446086 573605124 /nfs/dbraw/zinc/60/51/24/573605124.db2.gz ZVQHCJZWXICFAD-AEJSXWLSSA-N 0 0 194.274 2.224 10 0 AEAERN C[Si](C)(C)[C@@H]1C[C@@H]2C[C@H]1[C@H](O)C2 238446776 573605139 /nfs/dbraw/zinc/60/51/39/573605139.db2.gz SBVHBHVKAMDQII-UTINFBMNSA-N 0 0 184.355 2.486 10 0 AEAERN Cc1ccccc1Cc1cc(N)no1 258411021 573605159 /nfs/dbraw/zinc/60/51/59/573605159.db2.gz DBGHJXNIJQIILA-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN C[Si](C)(C)[C@H]1C=C[C@@H](O)C1 238446691 573605176 /nfs/dbraw/zinc/60/51/76/573605176.db2.gz MKOLSVDKFSZPIF-SFYZADRCSA-N 0 0 156.301 2.016 10 0 AEAERN C[C@@H](CO)c1ccc2c(c1)CCCO2 257836350 573605232 /nfs/dbraw/zinc/60/52/32/573605232.db2.gz MDISOPUFNYVSRA-VIFPVBQESA-N 0 0 192.258 2.107 10 0 AEAERN C[C@@H]1OCC[C@H]1[C@H](O)c1cccs1 86760179 573607744 /nfs/dbraw/zinc/60/77/44/573607744.db2.gz VANHMLJVZBINAJ-XKSSXDPKSA-N 0 0 198.287 2.207 10 0 AEAERN Cc1cnnc(N[C@@H]2CC[C@H](C)C2)c1 235622885 573605336 /nfs/dbraw/zinc/60/53/36/573605336.db2.gz CKIJBMHKSDSTBL-WCBMZHEXSA-N 0 0 191.278 2.386 10 0 AEAERN CSc1c(O)cccc1[C@H](C)CO 258071487 573605355 /nfs/dbraw/zinc/60/53/55/573605355.db2.gz HZYRYFYSIXIVSY-SSDOTTSWSA-N 0 0 198.287 2.210 10 0 AEAERN Clc1cccc([C@H]2CCON2)c1 257836271 573605390 /nfs/dbraw/zinc/60/53/90/573605390.db2.gz LBAPQLZGSWSLMZ-SECBINFHSA-N 0 0 183.638 2.306 10 0 AEAERN COc1c(C)cccc1C 504258510 573605456 /nfs/dbraw/zinc/60/54/56/573605456.db2.gz VGUIHIABTZQFNQ-UHFFFAOYSA-N 0 0 135.186 2.226 10 0 AEAERN Cc1ccc(-c2coc(CO)n2)cc1 257836649 573605484 /nfs/dbraw/zinc/60/54/84/573605484.db2.gz KYGDEKDADXNQHR-UHFFFAOYSA-N 0 0 189.214 2.142 10 0 AEAERN C[C@H]1CNc2ccccc2CO1 238446705 573605503 /nfs/dbraw/zinc/60/55/03/573605503.db2.gz SJUMTWYPLSVQSC-QMMMGPOBSA-N 0 0 163.220 2.017 10 0 AEAERN Oc1ccccc1[C@]1(F)CCCOC1 257836567 573605537 /nfs/dbraw/zinc/60/55/37/573605537.db2.gz KUNAJGGJXHCUJB-NSHDSACASA-N 0 0 196.221 2.367 10 0 AEAERN O=Cc1ccc(Cl)c2cnoc12 259527869 573605539 /nfs/dbraw/zinc/60/55/39/573605539.db2.gz RGTRYXQCPJBGKK-UHFFFAOYSA-N 0 0 181.578 2.294 10 0 AEAERN C[C@H](O)c1cnc([C@@H]2CCCO2)s1 83714513 573605544 /nfs/dbraw/zinc/60/55/44/573605544.db2.gz GDKILGZCONCUHX-BQBZGAKWSA-N 0 0 199.275 2.048 10 0 AEAERN Cc1ccc([C@H](C)O)c2c1CCCO2 238446532 573605554 /nfs/dbraw/zinc/60/55/54/573605554.db2.gz VDIOMGVWTBLHRZ-VIFPVBQESA-N 0 0 192.258 2.373 10 0 AEAERN C[C@H]1OCC[C@H]1C(=O)c1cccs1 86756512 573605573 /nfs/dbraw/zinc/60/55/73/573605573.db2.gz DQLLVJBDHWNXAY-HTQZYQBOSA-N 0 0 196.271 2.356 10 0 AEAERN C[C@H]1CCC[C@@H](C(N)=O)CC1(C)C 238447020 573605580 /nfs/dbraw/zinc/60/55/80/573605580.db2.gz PRNHZWGZGZDARX-DTWKUNHWSA-N 0 0 183.295 2.324 10 0 AEAERN C[C@H]1C=CNC(=O)C[C@@H]1c1ccco1 238445973 573605617 /nfs/dbraw/zinc/60/56/17/573605617.db2.gz ZCOGUHQWDPQOQL-IUCAKERBSA-N 0 0 191.230 2.033 10 0 AEAERN Clc1nc([C@@H]2CCCO2)ns1 83715460 573605681 /nfs/dbraw/zinc/60/56/81/573605681.db2.gz VYDRFLKIJWOCKZ-BYPYZUCNSA-N 0 0 190.655 2.043 10 0 AEAERN CNC1(C(F)(F)F)CCCCC1 78746470 573605712 /nfs/dbraw/zinc/60/57/12/573605712.db2.gz HOBVXIMMRUNLLB-UHFFFAOYSA-N 0 0 181.201 2.471 10 0 AEAERN CC1=CC[C@H]2C[C@@H]1C(=O)[C@@H]2C 238447091 573605719 /nfs/dbraw/zinc/60/57/19/573605719.db2.gz QTERZTSMYKWUDY-VGMNWLOBSA-N 0 0 150.221 2.178 10 0 AEAERN Cc1cc(C(=O)[C@@H]2CCOC2)cs1 83716186 573605768 /nfs/dbraw/zinc/60/57/68/573605768.db2.gz SJRYVBNWWCNMEY-MRVPVSSYSA-N 0 0 196.271 2.276 10 0 AEAERN C[C@@H]1C=C[C@H](C)[C@H]2CC(=O)C[C@@H]12 238446467 573605771 /nfs/dbraw/zinc/60/57/71/573605771.db2.gz FNRYJAURCWQEFO-YDRMRZIKSA-N 0 0 164.248 2.424 10 0 AEAERN CCc1ccc(SC[NH3+])cc1 259140682 573605822 /nfs/dbraw/zinc/60/58/22/573605822.db2.gz 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/nfs/dbraw/zinc/60/60/19/573606019.db2.gz LBAPQLZGSWSLMZ-VIFPVBQESA-N 0 0 183.638 2.306 10 0 AEAERN C[C@@H](O)c1cnc([C@H]2CCCO2)s1 83714518 573606088 /nfs/dbraw/zinc/60/60/88/573606088.db2.gz GDKILGZCONCUHX-RNFRBKRXSA-N 0 0 199.275 2.048 10 0 AEAERN C[C@H](CO)c1ccc2c(c1)CCCO2 257836347 573606182 /nfs/dbraw/zinc/60/61/82/573606182.db2.gz MDISOPUFNYVSRA-SECBINFHSA-N 0 0 192.258 2.107 10 0 AEAERN Oc1ccccc1[C@@]1(F)CCCOC1 257836565 573606185 /nfs/dbraw/zinc/60/61/85/573606185.db2.gz KUNAJGGJXHCUJB-LLVKDONJSA-N 0 0 196.221 2.367 10 0 AEAERN O=Cc1ccncc1-c1cccc(O)c1 238685609 573606363 /nfs/dbraw/zinc/60/63/63/573606363.db2.gz UGZUGPYGGBLPIS-UHFFFAOYSA-N 0 0 199.209 2.267 10 0 AEAERN C[C@@H]1OCC[C@H]1C(=O)c1ccccc1 86756477 573606457 /nfs/dbraw/zinc/60/64/57/573606457.db2.gz LQWVPTAIGZSAEV-GXSJLCMTSA-N 0 0 190.242 2.294 10 0 AEAERN COc1ccc(CC2(CO)CC2)cc1 259140466 573606500 /nfs/dbraw/zinc/60/65/00/573606500.db2.gz NGLYAOIICYKOCF-UHFFFAOYSA-N 0 0 192.258 2.010 10 0 AEAERN C[C@H](O)C[C@@H](F)c1ccccc1 238446895 573606494 /nfs/dbraw/zinc/60/64/94/573606494.db2.gz ANKGFPNGJNALNE-WCBMZHEXSA-N 0 0 168.211 2.468 10 0 AEAERN C[C@H](O)c1cc2cccc(F)c2[nH]1 83724156 573608602 /nfs/dbraw/zinc/60/86/02/573608602.db2.gz GHRSAFBAOFKUER-LURJTMIESA-N 0 0 179.194 2.360 10 0 AEAERN C[C@@H]1C=CC(C)(C)CC1=O 142755971 573608608 /nfs/dbraw/zinc/60/86/08/573608608.db2.gz IVSKDXCSHZLVON-SSDOTTSWSA-N 0 0 138.210 2.178 10 0 AEAERN CCc1ccc(COC)cc1O 75547251 573608623 /nfs/dbraw/zinc/60/86/23/573608623.db2.gz YYHZDXXSFFHRHH-UHFFFAOYSA-N 0 0 166.220 2.101 10 0 AEAERN Cc1ccc(C2=NC(=O)NC2C)cc1 257837350 573608629 /nfs/dbraw/zinc/60/86/29/573608629.db2.gz LAFMMOQKEGCYMD-UHFFFAOYSA-N 0 0 188.230 2.399 10 0 AEAERN CC1(C)C=Nc2cccc(O)c21 75544914 573608642 /nfs/dbraw/zinc/60/86/42/573608642.db2.gz YVVBAVUAXKRJTG-UHFFFAOYSA-N 0 0 161.204 2.386 10 0 AEAERN C[C@@H]1OCC[C@@H]1C(=O)c1cccs1 86756518 573607530 /nfs/dbraw/zinc/60/75/30/573607530.db2.gz DQLLVJBDHWNXAY-YUMQZZPRSA-N 0 0 196.271 2.356 10 0 AEAERN C[C@@H]1OCC[C@H]1C(=O)c1cccs1 86756515 573607556 /nfs/dbraw/zinc/60/75/56/573607556.db2.gz DQLLVJBDHWNXAY-JGVFFNPUSA-N 0 0 196.271 2.356 10 0 AEAERN C1CCC2(CCOCC2)SC1 82399863 573607584 /nfs/dbraw/zinc/60/75/84/573607584.db2.gz GLPCFXHGRNKPDM-UHFFFAOYSA-N 0 0 172.293 2.453 10 0 AEAERN O=C1CCc2[nH]c3ccc(F)cc3c21 83722968 573607638 /nfs/dbraw/zinc/60/76/38/573607638.db2.gz XJZWYLFFKRLRKG-UHFFFAOYSA-N 0 0 189.189 2.436 10 0 AEAERN O=Cc1cc(N2CCCC2)cs1 75548231 573607666 /nfs/dbraw/zinc/60/76/66/573607666.db2.gz HIECVCRZDKPBIQ-UHFFFAOYSA-N 0 0 181.260 2.161 10 0 AEAERN C[C@H]1COC2(CCCC2)O[C@H]1C 238447677 573607698 /nfs/dbraw/zinc/60/76/98/573607698.db2.gz SXQRVEZMIODZJB-IUCAKERBSA-N 0 0 170.252 2.328 10 0 AEAERN CCC(=O)CCCc1nccn1CC 86753710 573607778 /nfs/dbraw/zinc/60/77/78/573607778.db2.gz YMPMXXNWGCAOIV-UHFFFAOYSA-N 0 0 194.278 2.205 10 0 AEAERN C[C@H]1CCc2cc(O)ccc2N1 75545740 573607807 /nfs/dbraw/zinc/60/78/07/573607807.db2.gz VWYDCMYNQBWYOR-ZETCQYMHSA-N 0 0 163.220 2.139 10 0 AEAERN C[C@H](O)C[C@@H]1[C@@H](C)C1(C)C 238448566 573607832 /nfs/dbraw/zinc/60/78/32/573607832.db2.gz NLMDLQIAHQYYNQ-XLPZGREQSA-N 0 0 142.242 2.049 10 0 AEAERN C[C@H](O)c1cc2cc(F)cc(F)c2[nH]1 83724202 573608684 /nfs/dbraw/zinc/60/86/84/573608684.db2.gz FOBVHMPKQOVGKG-YFKPBYRVSA-N 0 0 197.184 2.499 10 0 AEAERN C[C@H]1[C@@H]2CC[C@H]1CCCC2=O 238448360 573607891 /nfs/dbraw/zinc/60/78/91/573607891.db2.gz VAABVUCRSLPGKH-HLTSFMKQSA-N 0 0 152.237 2.402 10 0 AEAERN N[C@H]1CCc2ccccc2C1(F)F 257837025 573607908 /nfs/dbraw/zinc/60/79/08/573607908.db2.gz LEVRXXQVDYRADX-VIFPVBQESA-N 0 0 183.201 2.052 10 0 AEAERN Cc1cc(C)c(O)c(C=O)c1C 75546036 573607926 /nfs/dbraw/zinc/60/79/26/573607926.db2.gz NMPPTQWNUWOQDD-UHFFFAOYSA-N 0 0 164.204 2.130 10 0 AEAERN C[C@H]1OCC[C@H]1C(=O)c1ccccc1 86756475 573607937 /nfs/dbraw/zinc/60/79/37/573607937.db2.gz LQWVPTAIGZSAEV-MWLCHTKSSA-N 0 0 190.242 2.294 10 0 AEAERN CC(C)CC(=O)[C@H]1CCCOC1 83720401 573607959 /nfs/dbraw/zinc/60/79/59/573607959.db2.gz TVQOCQLNOSTEAX-VIFPVBQESA-N 0 0 170.252 2.028 10 0 AEAERN C[C@@H](O)c1cc2cc(F)cc(F)c2[nH]1 83724205 573608000 /nfs/dbraw/zinc/60/80/00/573608000.db2.gz FOBVHMPKQOVGKG-RXMQYKEDSA-N 0 0 197.184 2.499 10 0 AEAERN COC(=O)C1(CCC(C)C)CC1 259125670 573608070 /nfs/dbraw/zinc/60/80/70/573608070.db2.gz MBZXCNWHOSMAKH-UHFFFAOYSA-N 0 0 170.252 2.376 10 0 AEAERN CC(C)(C)C(=O)[C@@H]1CCCOC1 83720365 573608923 /nfs/dbraw/zinc/60/89/23/573608923.db2.gz WLIWJKPWJAQIKN-MRVPVSSYSA-N 0 0 170.252 2.028 10 0 AEAERN Cc1ccc(C(F)F)c(F)n1 238447791 573608076 /nfs/dbraw/zinc/60/80/76/573608076.db2.gz YJDYAOLANKOUEA-UHFFFAOYSA-N 0 0 161.126 2.467 10 0 AEAERN Cc1cc([C@H](C)O)cc(C)c1O 75547261 573608079 /nfs/dbraw/zinc/60/80/79/573608079.db2.gz ONWLEXUCFJDBCG-QMMMGPOBSA-N 0 0 166.220 2.062 10 0 AEAERN Cc1ccc2nnc(C3CCC3)n2c1 258069771 573608094 /nfs/dbraw/zinc/60/80/94/573608094.db2.gz VBIOXDLTCMOTJN-UHFFFAOYSA-N 0 0 187.246 2.305 10 0 AEAERN COc1cccc2cc([C@H](C)O)[nH]c12 83724489 573608109 /nfs/dbraw/zinc/60/81/09/573608109.db2.gz CTPLTXKDMVPDLM-ZETCQYMHSA-N 0 0 191.230 2.230 10 0 AEAERN COCc1cc2ccc(O)cc2o1 258068146 573608124 /nfs/dbraw/zinc/60/81/24/573608124.db2.gz PQOYGZWTGJCHCK-UHFFFAOYSA-N 0 0 178.187 2.285 10 0 AEAERN CC(C)=C1C[C@H]1C[C@H](C)O 238447857 573608127 /nfs/dbraw/zinc/60/81/27/573608127.db2.gz QGVWKBSXRIWCJQ-JGVFFNPUSA-N 0 0 140.226 2.114 10 0 AEAERN C[C@@H]1[C@@H]2CCCCCC(=O)[C@H]21 238448410 573608143 /nfs/dbraw/zinc/60/81/43/573608143.db2.gz KWLNCZXKZZYZEP-WEDXCCLWSA-N 0 0 152.237 2.402 10 0 AEAERN C[C@H](Nc1ccccc1F)C(C)(C)O 83725099 573608167 /nfs/dbraw/zinc/60/81/67/573608167.db2.gz LKJRJSIAPKNFRN-QMMMGPOBSA-N 0 0 197.253 2.397 10 0 AEAERN C[C@@H]1OCC[C@@H]1C(=O)c1ccccc1 86756481 573608201 /nfs/dbraw/zinc/60/82/01/573608201.db2.gz LQWVPTAIGZSAEV-ONGXEEELSA-N 0 0 190.242 2.294 10 0 AEAERN CC(C)=CCn1cccc1C=O 75545784 573608207 /nfs/dbraw/zinc/60/82/07/573608207.db2.gz CXVADUUYQHTHBY-UHFFFAOYSA-N 0 0 163.220 2.267 10 0 AEAERN Cc1cc(SCCO)ccc1F 259126714 573608214 /nfs/dbraw/zinc/60/82/14/573608214.db2.gz SFDLFOCTLZRZLP-UHFFFAOYSA-N 0 0 186.251 2.219 10 0 AEAERN CC[C@H](CO)CC1CCC1 259141204 573608250 /nfs/dbraw/zinc/60/82/50/573608250.db2.gz CTBBWSPYBWZYLU-QMMMGPOBSA-N 0 0 142.242 2.195 10 0 AEAERN COC(=O)C/C=C\Cc1cccs1 258068432 573608284 /nfs/dbraw/zinc/60/82/84/573608284.db2.gz FDEVDCRGKMTWNU-IHWYPQMZSA-N 0 0 196.271 2.410 10 0 AEAERN Cc1cccc2c3c([nH]c12)CC[C@H]3O 83723998 573608370 /nfs/dbraw/zinc/60/83/70/573608370.db2.gz LWIVSUGNBLYOEK-SNVBAGLBSA-N 0 0 187.242 2.456 10 0 AEAERN Cc1cc2c(cc1N)CCCC2 75545027 573609203 /nfs/dbraw/zinc/60/92/03/573609203.db2.gz LNHSFPWITZFNGO-UHFFFAOYSA-N 0 0 161.248 2.456 10 0 AEAERN COc1c(F)ccc(C)c1CCCO 258067995 573608491 /nfs/dbraw/zinc/60/84/91/573608491.db2.gz HWDWBRJVBKJGGD-UHFFFAOYSA-N 0 0 198.237 2.068 10 0 AEAERN Clc1cc2c(nc1Cl)NCC2 257837367 573609303 /nfs/dbraw/zinc/60/93/03/573609303.db2.gz LAXQDZFISBPZQD-UHFFFAOYSA-N 0 0 189.045 2.356 10 0 AEAERN C[C@H](O)C[C@@H]1CC[C@@H](C)OC1(C)C 238448220 573609309 /nfs/dbraw/zinc/60/93/09/573609309.db2.gz XSXHCIRATHWXGZ-AEJSXWLSSA-N 0 0 186.295 2.351 10 0 AEAERN Cc1ccc([C@H]2NC(=O)C2(C)C)cc1 198369821 573608533 /nfs/dbraw/zinc/60/85/33/573608533.db2.gz MGLFCOPBHGICFX-SNVBAGLBSA-N 0 0 189.258 2.192 10 0 AEAERN O=C(C1CCCC1)[C@@H]1CCCOC1 83720592 573609310 /nfs/dbraw/zinc/60/93/10/573609310.db2.gz QGESFELIGNXAIY-SNVBAGLBSA-N 0 0 182.263 2.172 10 0 AEAERN O[C@H]1CCc2[nH]c3ccccc3c21 83724167 573608718 /nfs/dbraw/zinc/60/87/18/573608718.db2.gz CNYJIPQZUYFXBK-JTQLQIEISA-N 0 0 173.215 2.148 10 0 AEAERN C[C@H]1C=C[C@H](C)[C@H]2CC(=O)C[C@@H]12 238447690 573608727 /nfs/dbraw/zinc/60/87/27/573608727.db2.gz FNRYJAURCWQEFO-MPKXCIJOSA-N 0 0 164.248 2.424 10 0 AEAERN CC[C@H](C)c1nc(C=O)c(C)[nH]1 75547448 573608758 /nfs/dbraw/zinc/60/87/58/573608758.db2.gz XMPLSNWUCZPURG-LURJTMIESA-N 0 0 166.224 2.044 10 0 AEAERN Cc1cccc2c1NCCCC2=O 82399056 573609320 /nfs/dbraw/zinc/60/93/20/573609320.db2.gz DMHKLCWBDQXJIU-UHFFFAOYSA-N 0 0 175.231 2.383 10 0 AEAERN Nc1ccc2c(c1)CCC(F)(F)O2 257837062 573608785 /nfs/dbraw/zinc/60/87/85/573608785.db2.gz LGLBTTOYZAFYDX-UHFFFAOYSA-N 0 0 185.173 2.187 10 0 AEAERN O[C@@H]1CCc2[nH]c3ccc(F)cc3c21 83724067 573608790 /nfs/dbraw/zinc/60/87/90/573608790.db2.gz DDSZAIKIYLXEGV-SNVBAGLBSA-N 0 0 191.205 2.287 10 0 AEAERN CC(=O)C[C@@H]1CNc2cccc(C)c21 258069507 573608812 /nfs/dbraw/zinc/60/88/12/573608812.db2.gz GVKISNZHTJFNIS-SNVBAGLBSA-N 0 0 189.258 2.483 10 0 AEAERN Cc1ccc2[nH]c3c(c2c1)[C@@H](O)CC3 83724213 573608817 /nfs/dbraw/zinc/60/88/17/573608817.db2.gz DJXBPYSBXAIGDX-NSHDSACASA-N 0 0 187.242 2.456 10 0 AEAERN Cc1cc2c(cc1O)CCCN2 75545736 573608864 /nfs/dbraw/zinc/60/88/64/573608864.db2.gz BAULIVZEKLFWGY-UHFFFAOYSA-N 0 0 163.220 2.059 10 0 AEAERN O=C(c1ccsc1)[C@H]1CCCOC1 83720508 573608901 /nfs/dbraw/zinc/60/89/01/573608901.db2.gz NNWMHUIHBQIUHE-QMMMGPOBSA-N 0 0 196.271 2.357 10 0 AEAERN N[C@@H]1CCc2ccccc2C1(F)F 257837023 573608906 /nfs/dbraw/zinc/60/89/06/573608906.db2.gz LEVRXXQVDYRADX-SECBINFHSA-N 0 0 183.201 2.052 10 0 AEAERN C[C@H]1C(=O)[C@@]2(C)C=C[C@@H]1C2(C)C 238448005 573608978 /nfs/dbraw/zinc/60/89/78/573608978.db2.gz FRNHWXVTXBGCDW-VHSKPIJISA-N 0 0 164.248 2.424 10 0 AEAERN C[C@@H](Nc1ccccc1F)C(C)(C)O 83725103 573609005 /nfs/dbraw/zinc/60/90/05/573609005.db2.gz LKJRJSIAPKNFRN-MRVPVSSYSA-N 0 0 197.253 2.397 10 0 AEAERN C[C@H]1C=C[C@H]2[C@@H]1C(=O)C2(C)C 238448211 573609026 /nfs/dbraw/zinc/60/90/26/573609026.db2.gz VJNBIIGQNWWPKQ-BIIVOSGPSA-N 0 0 150.221 2.034 10 0 AEAERN COCc1ccc([C@@H](C)CO)c(F)c1 258068192 573609073 /nfs/dbraw/zinc/60/90/73/573609073.db2.gz HXUCLVUSTIHZOK-QMMMGPOBSA-N 0 0 198.237 2.068 10 0 AEAERN Cc1cccc2c1NC(=S)CO2 238447563 573609110 /nfs/dbraw/zinc/60/91/10/573609110.db2.gz HSMZSIRTFFXRFS-UHFFFAOYSA-N 0 0 179.244 2.127 10 0 AEAERN Cc1ccc(C(F)F)[nH]c1=O 238448628 573609137 /nfs/dbraw/zinc/60/91/37/573609137.db2.gz MXAXIWQWGGIGFV-UHFFFAOYSA-N 0 0 159.135 2.033 10 0 AEAERN C[C@@H](O)c1cc2cc(F)ccc2[nH]1 83724080 573609621 /nfs/dbraw/zinc/60/96/21/573609621.db2.gz NGIIPYYIYNIZCD-ZCFIWIBFSA-N 0 0 179.194 2.360 10 0 AEAERN CC[C@@H](CO)c1sc(C)nc1C 259130255 573609144 /nfs/dbraw/zinc/60/91/44/573609144.db2.gz CGUVAOAIYJTPON-QMMMGPOBSA-N 0 0 185.292 2.246 10 0 AEAERN Cc1cc(CC2(CO)CC2)ccc1F 259130354 573609208 /nfs/dbraw/zinc/60/92/08/573609208.db2.gz MLMRNJHIDOSFDH-UHFFFAOYSA-N 0 0 194.249 2.449 10 0 AEAERN COc1cc(CCO)ccc1C1CC1 258067382 573609225 /nfs/dbraw/zinc/60/92/25/573609225.db2.gz LXEUXHNCMAAWSO-UHFFFAOYSA-N 0 0 192.258 2.107 10 0 AEAERN C[C@H](O)C[C@@H]1CCc2ccccc2N1 238448636 573609261 /nfs/dbraw/zinc/60/92/61/573609261.db2.gz JKIXYCYNASTWFX-ONGXEEELSA-N 0 0 191.274 2.184 10 0 AEAERN Cc1ccc(-c2c[nH]nc2N)c(F)c1 258067427 573609372 /nfs/dbraw/zinc/60/93/72/573609372.db2.gz LYCHQBGPTBXHDS-UHFFFAOYSA-N 0 0 191.209 2.106 10 0 AEAERN O[C@H]1CCc2[nH]c3ccc(F)cc3c21 83724065 573609380 /nfs/dbraw/zinc/60/93/80/573609380.db2.gz DDSZAIKIYLXEGV-JTQLQIEISA-N 0 0 191.205 2.287 10 0 AEAERN C[C@@H]1OCC[C@@H]1[C@H](O)c1ccccc1 86760138 573609389 /nfs/dbraw/zinc/60/93/89/573609389.db2.gz MDLOVZACZJRZCE-ZMLRMANQSA-N 0 0 192.258 2.145 10 0 AEAERN Oc1ccc(O)c(C/C=C/Cl)c1 142787199 573609408 /nfs/dbraw/zinc/60/94/08/573609408.db2.gz ZYARNWNYLLCCTF-ORCRQEGFSA-N 0 0 184.622 2.393 10 0 AEAERN CC(=O)N[C@@]12CC[C@@H](C1)[C@@H](C)C2(C)C 238448502 573609412 /nfs/dbraw/zinc/60/94/12/573609412.db2.gz RYCKLISAANDAIZ-QRTLGDNMSA-N 0 0 195.306 2.337 10 0 AEAERN C[C@H]1C=C[C@@]2(C)CC(=O)[C@@H]1C2 238448339 573609432 /nfs/dbraw/zinc/60/94/32/573609432.db2.gz NCDDPIIIQNFPRD-QXFUBDJGSA-N 0 0 150.221 2.178 10 0 AEAERN Cc1cnc(-c2ccc(O)cc2)nc1 257836999 573609459 /nfs/dbraw/zinc/60/94/59/573609459.db2.gz LDVYTGJYAINFME-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN CC(C)(C)C(=O)[C@H]1CCCOC1 83720367 573609488 /nfs/dbraw/zinc/60/94/88/573609488.db2.gz WLIWJKPWJAQIKN-QMMMGPOBSA-N 0 0 170.252 2.028 10 0 AEAERN C[C@@H]1OCC[C@H]1[C@H](O)C1=CCCCC1 86760299 573609519 /nfs/dbraw/zinc/60/95/19/573609519.db2.gz OYQRPRBPIKKLHY-MVWJERBFSA-N 0 0 196.290 2.273 10 0 AEAERN O[C@@H]1CCc2[nH]c3c(F)cccc3c21 83724147 573609529 /nfs/dbraw/zinc/60/95/29/573609529.db2.gz HBDUSGNKUSBWCN-SECBINFHSA-N 0 0 191.205 2.287 10 0 AEAERN C[C@H]1CC(=O)[C@H]2[C@@H](C)CC[C@@H]12 238448388 573609551 /nfs/dbraw/zinc/60/95/51/573609551.db2.gz MGTDDGHARIEMDN-GHCJXIJMSA-N 0 0 152.237 2.258 10 0 AEAERN Cc1cccc2c1C(=O)C(C)(C)O2 238447448 573609555 /nfs/dbraw/zinc/60/95/55/573609555.db2.gz LBGDPMJUIZPQEE-UHFFFAOYSA-N 0 0 176.215 2.349 10 0 AEAERN C[C@H](O)c1cc2cc(F)ccc2[nH]1 83724078 573609560 /nfs/dbraw/zinc/60/95/60/573609560.db2.gz NGIIPYYIYNIZCD-LURJTMIESA-N 0 0 179.194 2.360 10 0 AEAERN Cc1ccc(C(F)F)nc1F 238448536 573609570 /nfs/dbraw/zinc/60/95/70/573609570.db2.gz SRWORLXEJZCKMK-UHFFFAOYSA-N 0 0 161.126 2.467 10 0 AEAERN CC(C)(F)c1cccc(CCO)c1 258067526 573609582 /nfs/dbraw/zinc/60/95/82/573609582.db2.gz MARPNXSNNAOITJ-UHFFFAOYSA-N 0 0 182.238 2.426 10 0 AEAERN C[C@H]1OCC[C@@H]1C(=O)c1cccs1 86756517 573609587 /nfs/dbraw/zinc/60/95/87/573609587.db2.gz DQLLVJBDHWNXAY-SFYZADRCSA-N 0 0 196.271 2.356 10 0 AEAERN CC[C@@H](CO)c1nc(CC(C)C)c[nH]1 259127417 573609642 /nfs/dbraw/zinc/60/96/42/573609642.db2.gz QNZREAGXDSELAI-VIFPVBQESA-N 0 0 196.294 2.094 10 0 AEAERN C[C@H](O)C[C@@H]1CCC=C[C@@H]1C 238447930 573609643 /nfs/dbraw/zinc/60/96/43/573609643.db2.gz ZIVGMSBMOXHUKY-GUBZILKMSA-N 0 0 154.253 2.360 10 0 AEAERN CC1(C)C=Nc2cc(O)ccc21 75544918 573609663 /nfs/dbraw/zinc/60/96/63/573609663.db2.gz CZVOZAMDTSPZLR-UHFFFAOYSA-N 0 0 161.204 2.386 10 0 AEAERN C[C@@H]1OCC[C@@H]1[C@H](O)c1cccs1 86760183 573609687 /nfs/dbraw/zinc/60/96/87/573609687.db2.gz VANHMLJVZBINAJ-NRPADANISA-N 0 0 198.287 2.207 10 0 AEAERN COc1cc(C)c(SN)cc1C 259125902 573609718 /nfs/dbraw/zinc/60/97/18/573609718.db2.gz CLEGRKCGERYQPJ-UHFFFAOYSA-N 0 0 183.276 2.278 10 0 AEAERN CNOCCC[C@@H]1CCCCS1 258069428 573609722 /nfs/dbraw/zinc/60/97/22/573609722.db2.gz VTWZPSXRAZRUPR-VIFPVBQESA-N 0 0 189.324 2.203 10 0 AEAERN CCc1cc(N)c(N2CCCC2)s1 75548589 573609731 /nfs/dbraw/zinc/60/97/31/573609731.db2.gz QICOJGWMRJDULD-UHFFFAOYSA-N 0 0 196.319 2.493 10 0 AEAERN COCN(C)Cc1cccc(C)c1 259126206 573610556 /nfs/dbraw/zinc/61/05/56/573610556.db2.gz QHUYJSXEKKGMFJ-UHFFFAOYSA-N 0 0 179.263 2.031 10 0 AEAERN C[C@H](O)C[C@@H](P)c1ccccc1 238447654 573610458 /nfs/dbraw/zinc/61/04/58/573610458.db2.gz KEAVMDNANWTSIN-WCBMZHEXSA-N 0 0 182.203 2.374 10 0 AEAERN COc1cnn(-c2ccco2)c1Cl 258821425 573611027 /nfs/dbraw/zinc/61/10/27/573611027.db2.gz YUOWGQOGTDYLMU-UHFFFAOYSA-N 0 0 198.609 2.127 10 0 AEAERN C[C@H](O)C[C@@H]1SN1c1ccccc1 238448534 573610470 /nfs/dbraw/zinc/61/04/70/573610470.db2.gz HISUECLVXNNYDP-AZXCQMJXSA-N 0 0 195.287 2.252 10 0 AEAERN c1cc2c3c(c1)ccn3CCCO2 258068582 573610474 /nfs/dbraw/zinc/61/04/74/573610474.db2.gz UCHPFBVCBUGHAI-UHFFFAOYSA-N 0 0 173.215 2.424 10 0 AEAERN O=C(c1ccsc1)[C@@H]1CCCOC1 83720506 573610484 /nfs/dbraw/zinc/61/04/84/573610484.db2.gz NNWMHUIHBQIUHE-MRVPVSSYSA-N 0 0 196.271 2.357 10 0 AEAERN COC(=O)[C@H]1[C@H](C2CC2)C12CCCC2 259527228 573610492 /nfs/dbraw/zinc/61/04/92/573610492.db2.gz DXPYVXXWDIHTAS-VHSXEESVSA-N 0 0 194.274 2.376 10 0 AEAERN COCN(C)Cc1ccc(F)c(C)c1 259126427 573610503 /nfs/dbraw/zinc/61/05/03/573610503.db2.gz QJETZGPOKIWYJI-UHFFFAOYSA-N 0 0 197.253 2.170 10 0 AEAERN Cn1nccc1-c1ccc(F)c(F)c1 259126589 573610520 /nfs/dbraw/zinc/61/05/20/573610520.db2.gz GYHZSGPEVBKPJX-UHFFFAOYSA-N 0 0 194.184 2.365 10 0 AEAERN C[C@H]1C(=O)[C@@H]2CCCC[C@H]12 238447362 573610664 /nfs/dbraw/zinc/61/06/64/573610664.db2.gz FLTISFSVIGIMQD-BWZBUEFSSA-N 0 0 138.210 2.012 10 0 AEAERN Cc1ccc(C(F)F)c(C=O)n1 238447585 573610698 /nfs/dbraw/zinc/61/06/98/573610698.db2.gz VFPJYAZWDBSJGN-UHFFFAOYSA-N 0 0 171.146 2.140 10 0 AEAERN COc1ccc(C2(O)CC2)cc1CF 258067504 573610780 /nfs/dbraw/zinc/61/07/80/573610780.db2.gz MAGNLVHPXDIKLG-UHFFFAOYSA-N 0 0 196.221 2.146 10 0 AEAERN CONCc1ccc2occc2c1F 258070184 573610781 /nfs/dbraw/zinc/61/07/81/573610781.db2.gz MDIJGDKYPSNMEB-UHFFFAOYSA-N 0 0 195.193 2.223 10 0 AEAERN COc1ccc2[nH]c([C@H](C)O)cc2c1 83724513 573610826 /nfs/dbraw/zinc/61/08/26/573610826.db2.gz VIJAGRMQVXXPQD-ZETCQYMHSA-N 0 0 191.230 2.230 10 0 AEAERN C[C@H]1C=C[C@]2(CCC2=O)CC1 238447564 573610828 /nfs/dbraw/zinc/61/08/28/573610828.db2.gz WZIUCYQYDQDUHS-WCBMZHEXSA-N 0 0 150.221 2.322 10 0 AEAERN CC(C)(C)[C@H](O)c1cccc(O)c1 142761926 573610841 /nfs/dbraw/zinc/61/08/41/573610841.db2.gz NOGBAHANMRKSNX-SNVBAGLBSA-N 0 0 180.247 2.472 10 0 AEAERN Cc1ccc2[nH]c3c(c2c1)[C@H](O)CC3 83724217 573610867 /nfs/dbraw/zinc/61/08/67/573610867.db2.gz DJXBPYSBXAIGDX-LLVKDONJSA-N 0 0 187.242 2.456 10 0 AEAERN Nc1cc(=O)[nH]c2ccc(Cl)cc12 258067071 573610870 /nfs/dbraw/zinc/61/08/70/573610870.db2.gz LERDQWOADIXZSH-UHFFFAOYSA-N 0 0 194.621 2.176 10 0 AEAERN COc1ccc(C(C)C)cc1CNO 258067544 573610903 /nfs/dbraw/zinc/61/09/03/573610903.db2.gz MBCJPZDHFROFQV-UHFFFAOYSA-N 0 0 195.262 2.297 10 0 AEAERN OC[C@H]1CSCC[C@H]1CC(F)F 258069145 573610962 /nfs/dbraw/zinc/61/09/62/573610962.db2.gz LJGUJGXKWMWUBY-BQBZGAKWSA-N 0 0 196.262 2.003 10 0 AEAERN CCC(=O)c1ccc(N)cc1C 78763841 573612313 /nfs/dbraw/zinc/61/23/13/573612313.db2.gz QFFLVIKHSLHEMT-UHFFFAOYSA-N 0 0 163.220 2.170 10 0 AEAERN CC[C@H](C)n1nc2c(c1N)CCCC2 83740309 573612315 /nfs/dbraw/zinc/61/23/15/573612315.db2.gz PYCRVUUAPUMBNF-QMMMGPOBSA-N 0 0 193.294 2.315 10 0 AEAERN C[C@@H]1C=CC(C)(C)C(=O)C1 238449269 573612329 /nfs/dbraw/zinc/61/23/29/573612329.db2.gz RFENEKMEQFOQNA-SSDOTTSWSA-N 0 0 138.210 2.178 10 0 AEAERN Cc1[nH]c2c(F)cccc2c1CO 83729146 573612426 /nfs/dbraw/zinc/61/24/26/573612426.db2.gz XFCWSQUNQSDAPE-UHFFFAOYSA-N 0 0 179.194 2.108 10 0 AEAERN Cc1oc(CN)nc1[C@@H]1CCCS1 258069175 573611876 /nfs/dbraw/zinc/61/18/76/573611876.db2.gz LJNTYYBLEIAPFK-ZETCQYMHSA-N 0 0 198.291 2.010 10 0 AEAERN COC1(OC)CCC[C@@H](C)C1 96334522 573611944 /nfs/dbraw/zinc/61/19/44/573611944.db2.gz ITBKAZNVWBGZPD-MRVPVSSYSA-N 0 0 158.241 2.186 10 0 AEAERN CC(C)OCc1ccc(O)cc1F 258068463 573611947 /nfs/dbraw/zinc/61/19/47/573611947.db2.gz HEPXJNVYFKUBKT-UHFFFAOYSA-N 0 0 184.210 2.456 10 0 AEAERN CC/C=C/C(=O)OCc1cncs1 308406850 573611969 /nfs/dbraw/zinc/61/19/69/573611969.db2.gz KALSSMKXOLOVBZ-ONEGZZNKSA-N 0 0 197.259 2.153 10 0 AEAERN O=Cc1ccc(Sc2ncco2)o1 236416066 573612103 /nfs/dbraw/zinc/61/21/03/573612103.db2.gz FOQLUQDOAHXELP-UHFFFAOYSA-N 0 0 195.199 2.231 10 0 AEAERN C[C@H]1CCC[C@@H](CCC(N)=O)C1 238449856 573612112 /nfs/dbraw/zinc/61/21/12/573612112.db2.gz MDXXMYHFVWHRMX-IUCAKERBSA-N 0 0 169.268 2.078 10 0 AEAERN Cc1noc(N)c1[C@H]1CCCSC1 257837522 573612134 /nfs/dbraw/zinc/61/21/34/573612134.db2.gz IZYXMRYLXCGVMK-ZETCQYMHSA-N 0 0 198.291 2.176 10 0 AEAERN Cc1[nH]c2c(C)cccc2c1CO 83729139 573612150 /nfs/dbraw/zinc/61/21/50/573612150.db2.gz SMUPLUPNYVHOFE-UHFFFAOYSA-N 0 0 175.231 2.277 10 0 AEAERN CC(C)Cn1nc2c(c1N)CCCC2 83740269 573612182 /nfs/dbraw/zinc/61/21/82/573612182.db2.gz RMZZMABTPFKKMO-UHFFFAOYSA-N 0 0 193.294 2.000 10 0 AEAERN C/C=C\COc1cc(N)ccc1OC 308405952 573612184 /nfs/dbraw/zinc/61/21/84/573612184.db2.gz OMBOOBGAWLGNQR-ARJAWSKDSA-N 0 0 193.246 2.232 10 0 AEAERN Cc1ccccc1CCNCC(F)F 86763028 573612233 /nfs/dbraw/zinc/61/22/33/573612233.db2.gz OLPKQCNCYDFJIR-UHFFFAOYSA-N 0 0 199.244 2.392 10 0 AEAERN Cc1cc(C)c(CC2(O)CC2)c(O)c1 258067530 573612240 /nfs/dbraw/zinc/61/22/40/573612240.db2.gz MAVBWKGDRVGBAX-UHFFFAOYSA-N 0 0 192.258 2.076 10 0 AEAERN COc1ccc(C)cc1SCO 259128203 573612350 /nfs/dbraw/zinc/61/23/50/573612350.db2.gz COKKIRFDROCWFP-UHFFFAOYSA-N 0 0 184.260 2.046 10 0 AEAERN Nc1c2c(nn1C1CCCC1)CCC2 83740178 573612283 /nfs/dbraw/zinc/61/22/83/573612283.db2.gz JFLAUKXVFPZWLH-UHFFFAOYSA-N 0 0 191.278 2.069 10 0 AEAERN Cc1cc(=O)cc(C)c2c1CCC2 238449534 573612375 /nfs/dbraw/zinc/61/23/75/573612375.db2.gz CDNSDNCDUUDNGF-UHFFFAOYSA-N 0 0 174.243 2.152 10 0 AEAERN Cc1cc(SNN)ccc1Cl 259128103 573612389 /nfs/dbraw/zinc/61/23/89/573612389.db2.gz CNNWVYKQYDFGHP-UHFFFAOYSA-N 0 0 188.683 2.119 10 0 AEAERN CCC1(c2nc(CSC)no2)CC1 308406711 573612416 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/nfs/dbraw/zinc/61/26/04/573612604.db2.gz GKPFKRKWOJJNTL-UHFFFAOYSA-N 0 0 175.231 2.277 10 0 AEAERN CC(=O)c1ccc(N2CCCCC2)o1 75549065 573612610 /nfs/dbraw/zinc/61/26/10/573612610.db2.gz JUGRENINSRFNPN-UHFFFAOYSA-N 0 0 193.246 2.473 10 0 AEAERN Cc1[nH]c2c(C)cc(F)cc2c1CO 83729170 573612645 /nfs/dbraw/zinc/61/26/45/573612645.db2.gz CYZOQWWULZPLHI-UHFFFAOYSA-N 0 0 193.221 2.416 10 0 AEAERN CCNc1cncc(N[C@@H](C)CC)n1 86778099 573612654 /nfs/dbraw/zinc/61/26/54/573612654.db2.gz BQDBXWPILBFESB-QMMMGPOBSA-N 0 0 194.282 2.119 10 0 AEAERN CC[C@H](CO)c1sc(C)nc1C 259130251 573612667 /nfs/dbraw/zinc/61/26/67/573612667.db2.gz CGUVAOAIYJTPON-MRVPVSSYSA-N 0 0 185.292 2.246 10 0 AEAERN C[C@H]1C=CC(C)(C)CC1=O 142756187 573612726 /nfs/dbraw/zinc/61/27/26/573612726.db2.gz IVSKDXCSHZLVON-ZETCQYMHSA-N 0 0 138.210 2.178 10 0 AEAERN CCCc1nc(C)c(OC)s1 259126760 573612735 /nfs/dbraw/zinc/61/27/35/573612735.db2.gz CFDHFILRFMTNPQ-UHFFFAOYSA-N 0 0 171.265 2.413 10 0 AEAERN CC(C)CCn1nc2c(c1N)CCC2 83740192 573612897 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10 0 AEAERN Cc1ccc(-c2csc(N)n2)cn1 96373601 573618052 /nfs/dbraw/zinc/61/80/52/573618052.db2.gz NAFKXHMLGSTKAQ-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1c(O)c(C=O)cc2ccoc12 75565927 573620395 /nfs/dbraw/zinc/62/03/95/573620395.db2.gz YNZNILFKCMNEAA-UHFFFAOYSA-N 0 0 176.171 2.259 10 0 AEAERN Cc1coc2cc(O)c(C=O)cc12 75565954 573618099 /nfs/dbraw/zinc/61/80/99/573618099.db2.gz IWLLKRGMXZVWMN-UHFFFAOYSA-N 0 0 176.171 2.259 10 0 AEAERN C[C@@H]1Nc2cccc(O)c2[C@H]1C 107456578 573618122 /nfs/dbraw/zinc/61/81/22/573618122.db2.gz AGKMLMQDQPBRTR-BQBZGAKWSA-N 0 0 163.220 2.310 10 0 AEAERN C[C@@H]1Nc2cccc(O)c2C1(C)C 75567719 573618190 /nfs/dbraw/zinc/61/81/90/573618190.db2.gz ICBFEJNEFXULIM-ZETCQYMHSA-N 0 0 177.247 2.484 10 0 AEAERN Cc1ncc(C2CCC2)cc1N 107456450 573618224 /nfs/dbraw/zinc/61/82/24/573618224.db2.gz QDKQFBMOUYLPQC-UHFFFAOYSA-N 0 0 162.236 2.240 10 0 AEAERN O=Cc1cncc(C2CCC2)c1 107456319 573618278 /nfs/dbraw/zinc/61/82/78/573618278.db2.gz QFANFARNJGWSIZ-UHFFFAOYSA-N 0 0 161.204 2.162 10 0 AEAERN Nc1c(Cl)cccc1NC1CC1 96379071 573618343 /nfs/dbraw/zinc/61/83/43/573618343.db2.gz SJZPGABWHNRXIU-UHFFFAOYSA-N 0 0 182.654 2.497 10 0 AEAERN COCSc1ccc(C)cc1N 83749041 573618379 /nfs/dbraw/zinc/61/83/79/573618379.db2.gz DHSVCYSQPDITNA-UHFFFAOYSA-N 0 0 183.276 2.273 10 0 AEAERN C[C@H]1Nc2cccc(O)c2[C@H]1C 107456574 573618509 /nfs/dbraw/zinc/61/85/09/573618509.db2.gz AGKMLMQDQPBRTR-NKWVEPMBSA-N 0 0 163.220 2.310 10 0 AEAERN CCc1c(C=O)cc(C)cc1C=O 75566516 573618545 /nfs/dbraw/zinc/61/85/45/573618545.db2.gz LCRDYOVTIFCCBR-UHFFFAOYSA-N 0 0 176.215 2.182 10 0 AEAERN C[C@H]1Nc2ccc(N)cc2C1(C)C 75566806 573618553 /nfs/dbraw/zinc/61/85/53/573618553.db2.gz MRWUNCAAGQMIIS-SSDOTTSWSA-N 0 0 176.263 2.360 10 0 AEAERN Cc1cc(O)c2c(c1)[C@@H](C)CC2=O 75566359 573618568 /nfs/dbraw/zinc/61/85/68/573618568.db2.gz ZKSZBHWNMHJTHI-ZETCQYMHSA-N 0 0 176.215 2.391 10 0 AEAERN CCc1ccc(O)c(CC2(O)CC2)c1 258070190 573618578 /nfs/dbraw/zinc/61/85/78/573618578.db2.gz MDTMDULEJQCMTL-UHFFFAOYSA-N 0 0 192.258 2.022 10 0 AEAERN CCc1noc2c(C)c(O)ccc12 75567320 573618585 /nfs/dbraw/zinc/61/85/85/573618585.db2.gz NEAABPUHBSCREF-UHFFFAOYSA-N 0 0 177.203 2.404 10 0 AEAERN C[C@H](O)c1ccc(-c2ccncc2)o1 238450626 573618629 /nfs/dbraw/zinc/61/86/29/573618629.db2.gz RRJRNUQIFZWVQR-QMMMGPOBSA-N 0 0 189.214 2.395 10 0 AEAERN CCOCn1cc(C)c(C)c1C 83756567 573618681 /nfs/dbraw/zinc/61/86/81/573618681.db2.gz CUXKXPLTQYOCRS-UHFFFAOYSA-N 0 0 167.252 2.407 10 0 AEAERN CCOC(=O)N(C1CC1)[C@H](C)CC 308407398 573618717 /nfs/dbraw/zinc/61/87/17/573618717.db2.gz KHHDCIHTSLYMIQ-MRVPVSSYSA-N 0 0 185.267 2.406 10 0 AEAERN Cc1ccc2c(c1O)[C@@H](C)CC2=O 75566347 573618841 /nfs/dbraw/zinc/61/88/41/573618841.db2.gz FKZDGHHQVWGOMF-ZETCQYMHSA-N 0 0 176.215 2.391 10 0 AEAERN C[C@@H]1C=C[C@]2(CCC2=O)CC1 238450240 573618846 /nfs/dbraw/zinc/61/88/46/573618846.db2.gz WZIUCYQYDQDUHS-PSASIEDQSA-N 0 0 150.221 2.322 10 0 AEAERN CC(=O)CC[C@@]1(C)CC[C@H](C)O1 238451077 573618880 /nfs/dbraw/zinc/61/88/80/573618880.db2.gz BCXQSXPWVWMNNK-UWVGGRQHSA-N 0 0 170.252 2.313 10 0 AEAERN C/C(=C/c1cc(C)n(C)c1C)CO 211953228 573618976 /nfs/dbraw/zinc/61/89/76/573618976.db2.gz DPMDJBMMHZSGPT-YVMONPNESA-N 0 0 179.263 2.038 10 0 AEAERN CN1CCc2cccc(Cl)c21 142841025 573620419 /nfs/dbraw/zinc/62/04/19/573620419.db2.gz HMYNJUJZRRBRLB-UHFFFAOYSA-N 0 0 167.639 2.332 10 0 AEAERN CC1(C)CC(=O)c2ccc(O)cc21 75566366 573619000 /nfs/dbraw/zinc/61/90/00/573619000.db2.gz VORPLLDOOQOZNR-UHFFFAOYSA-N 0 0 176.215 2.256 10 0 AEAERN C[C@H]1Nc2cc(O)ccc2C1(C)C 75567726 573619038 /nfs/dbraw/zinc/61/90/38/573619038.db2.gz SQUVVORKWHBUQV-SSDOTTSWSA-N 0 0 177.247 2.484 10 0 AEAERN C=C=C(C)C[C@H](O)[C@@H]1C[C@@H]1C 238451058 573619135 /nfs/dbraw/zinc/61/91/35/573619135.db2.gz UVACEXVZZSFYPO-AEJSXWLSSA-N 0 0 152.237 2.125 10 0 AEAERN C/C=C\c1nnc([C@H](N)[C@@H](C)CC)o1 393543495 573619153 /nfs/dbraw/zinc/61/91/53/573619153.db2.gz BDXJONAITZNBMQ-JSCIZMSRSA-N 0 0 195.266 2.149 10 0 AEAERN Cc1ccc(NNCl)c(C)c1 142874941 573619265 /nfs/dbraw/zinc/61/92/65/573619265.db2.gz QLIDSBPTZWPEKC-UHFFFAOYSA-N 0 0 170.643 2.374 10 0 AEAERN CCc1ncc(C(C)C)cc1N 107456721 573619271 /nfs/dbraw/zinc/61/92/71/573619271.db2.gz KMFICYZPBCXZTR-UHFFFAOYSA-N 0 0 164.252 2.350 10 0 AEAERN COc1cc(F)c(C[C@@H](C)O)cc1C 258070251 573619349 /nfs/dbraw/zinc/61/93/49/573619349.db2.gz MFLQHHSBUVASCC-MRVPVSSYSA-N 0 0 198.237 2.066 10 0 AEAERN CC[C@H]1CNc2cccc(O)c21 107456592 573619351 /nfs/dbraw/zinc/61/93/51/573619351.db2.gz SVAOMKQNVQUGNP-ZETCQYMHSA-N 0 0 163.220 2.311 10 0 AEAERN C/C=C(/CC)C(=O)NO[C@@H](C)CC 308408089 573619368 /nfs/dbraw/zinc/61/93/68/573619368.db2.gz KQWVZLHWJQFNKS-HWPCKVLBSA-N 0 0 185.267 2.189 10 0 AEAERN Cn1cc(-c2ccnc(Cl)c2)cn1 142842127 573619387 /nfs/dbraw/zinc/61/93/87/573619387.db2.gz JUFVTVVEJDXEFW-UHFFFAOYSA-N 0 0 193.637 2.136 10 0 AEAERN C[C@@H]1Nc2cccc(O)c2[C@@H]1C 107456580 573619457 /nfs/dbraw/zinc/61/94/57/573619457.db2.gz AGKMLMQDQPBRTR-RQJHMYQMSA-N 0 0 163.220 2.310 10 0 AEAERN Cc1ccc2ccc(N)c(N)c2c1 224416314 573619463 /nfs/dbraw/zinc/61/94/63/573619463.db2.gz DCXKWGNBNDFMMM-UHFFFAOYSA-N 0 0 172.231 2.313 10 0 AEAERN CCOC(=O)/C(C)=C(\C)[C@@H]1CCCO1 308641848 573619494 /nfs/dbraw/zinc/61/94/94/573619494.db2.gz DMWSWKANJZOARX-DDXVTDLHSA-N 0 0 198.262 2.065 10 0 AEAERN Cc1ccc(O)c2c1C(=O)C[C@H]2C 75566382 573619527 /nfs/dbraw/zinc/61/95/27/573619527.db2.gz ITKBUDWZAJUGFQ-SSDOTTSWSA-N 0 0 176.215 2.391 10 0 AEAERN C[C@H]1Nc2cc(O)ccc2[C@H]1C 107456564 573619530 /nfs/dbraw/zinc/61/95/30/573619530.db2.gz HUWMZSBKKLKUAC-NKWVEPMBSA-N 0 0 163.220 2.310 10 0 AEAERN Cc1nc(/C=C(\CO)C(C)C)cs1 211951572 573619532 /nfs/dbraw/zinc/61/95/32/573619532.db2.gz PLHFEOPQLCHHGB-RUDMXATFSA-N 0 0 197.303 2.483 10 0 AEAERN CC(C)c1ccc(C(=O)C=O)cc1 75566493 573619538 /nfs/dbraw/zinc/61/95/38/573619538.db2.gz MSOXWDCWMJCQQY-UHFFFAOYSA-N 0 0 176.215 2.192 10 0 AEAERN O=Cc1ccc(OC2CCCC2)cn1 86792361 573619556 /nfs/dbraw/zinc/61/95/56/573619556.db2.gz BZEJNUHABHUHTA-UHFFFAOYSA-N 0 0 191.230 2.216 10 0 AEAERN CC(=O)c1cnoc1[C@H]1CCSC1 259131556 573619572 /nfs/dbraw/zinc/61/95/72/573619572.db2.gz GTTKURILXGHYDF-ZETCQYMHSA-N 0 0 197.259 2.098 10 0 AEAERN CC(C)=CCc1ccc(N)cc1O 75567610 573619579 /nfs/dbraw/zinc/61/95/79/573619579.db2.gz RCVMWZFYJFCXIG-UHFFFAOYSA-N 0 0 177.247 2.483 10 0 AEAERN C[C@@H](O)c1ncc(Cl)cc1Cl 86783469 573620433 /nfs/dbraw/zinc/62/04/33/573620433.db2.gz GCKKGQQQVAQCQU-SCSAIBSYSA-N 0 0 192.045 2.442 10 0 AEAERN O=Cc1ccnc(C2CCC2)c1 107456330 573619605 /nfs/dbraw/zinc/61/96/05/573619605.db2.gz ZPCARTYYJTUBGQ-UHFFFAOYSA-N 0 0 161.204 2.162 10 0 AEAERN C[C@H]1CC[C@H](CO)C(C)(C)C1 142792388 573619614 /nfs/dbraw/zinc/61/96/14/573619614.db2.gz OUYXTAMWOJKTQE-DTWKUNHWSA-N 0 0 156.269 2.441 10 0 AEAERN C[C@H](O)C[C@H]1[C@@H](C)C1(C)C 238451080 573619627 /nfs/dbraw/zinc/61/96/27/573619627.db2.gz NLMDLQIAHQYYNQ-RNJXMRFFSA-N 0 0 142.242 2.049 10 0 AEAERN CC[C@H](C)[C@H](C)[C@H](O)[C@H]1C[C@@H]1OC 689976327 573619679 /nfs/dbraw/zinc/61/96/79/573619679.db2.gz DMYWUZWLFBKSGB-QHZLYTNSSA-N 0 0 186.295 2.064 10 0 AEAERN CC[C@H](C)[C@H](C)[C@H](O)[C@H]1C[C@H]1OC 689976323 573619736 /nfs/dbraw/zinc/61/97/36/573619736.db2.gz DMYWUZWLFBKSGB-MFDAYCCISA-N 0 0 186.295 2.064 10 0 AEAERN Cc1ccc([C@@H]2CCOC2)cc1N 257837688 573619744 /nfs/dbraw/zinc/61/97/44/573619744.db2.gz LLXMDLCBJSMKQH-SNVBAGLBSA-N 0 0 177.247 2.081 10 0 AEAERN CC1(c2ccccc2F)COC1 258823546 573619748 /nfs/dbraw/zinc/61/97/48/573619748.db2.gz YVNMBMNUODEXID-UHFFFAOYSA-N 0 0 166.195 2.114 10 0 AEAERN COC(=O)[C@H]1[C@@H](c2cccs2)[C@@H]1C 259529477 573619809 /nfs/dbraw/zinc/61/98/09/573619809.db2.gz FCKZIPCHRQZPIK-NBEYISGCSA-N 0 0 196.271 2.271 10 0 AEAERN CC1=C(C)[C@@H](C)CC(=O)C1 238451116 573619848 /nfs/dbraw/zinc/61/98/48/573619848.db2.gz ZGVBZHPHLZBEAM-LURJTMIESA-N 0 0 138.210 2.322 10 0 AEAERN Cc1cnc(C(C)(C)C)c(N)c1 107456714 573619859 /nfs/dbraw/zinc/61/98/59/573619859.db2.gz DINNCCCNYOCFDJ-UHFFFAOYSA-N 0 0 164.252 2.270 10 0 AEAERN C/C=C\c1nnc([C@H](N)[C@H](C)CC)o1 393543496 573619891 /nfs/dbraw/zinc/61/98/91/573619891.db2.gz BDXJONAITZNBMQ-NOFMJIGPSA-N 0 0 195.266 2.149 10 0 AEAERN CC1=C[C@@H]1[C@@H]1C[C@@H]1C 238451326 573619900 /nfs/dbraw/zinc/61/99/00/573619900.db2.gz CAZBZVWVZMXTPB-BIIVOSGPSA-N 0 0 108.184 2.219 10 0 AEAERN C[C@@H]1C=CCc2c(O)ccc(O)c21 75566349 573619904 /nfs/dbraw/zinc/61/99/04/573619904.db2.gz TVALZRKXIAKPMU-SSDOTTSWSA-N 0 0 176.215 2.314 10 0 AEAERN CC[C@H](OC(C)=O)C(C)(C)C 142803214 573619914 /nfs/dbraw/zinc/61/99/14/573619914.db2.gz OZVHACQHIBUHOC-QMMMGPOBSA-N 0 0 158.241 2.374 10 0 AEAERN C[C@]1(C(=O)CCCCF)CCCO1 393543532 573619919 /nfs/dbraw/zinc/61/99/19/573619919.db2.gz OOCZGBOIRFLSDQ-SNVBAGLBSA-N 0 0 188.242 2.264 10 0 AEAERN C[C@H](O)c1ncc(Cl)cc1Cl 86783466 573620008 /nfs/dbraw/zinc/62/00/08/573620008.db2.gz GCKKGQQQVAQCQU-BYPYZUCNSA-N 0 0 192.045 2.442 10 0 AEAERN CCCCCCC(=O)c1c[nH]nc1N 83747104 573620043 /nfs/dbraw/zinc/62/00/43/573620043.db2.gz HBLHVUGLQMUHMM-UHFFFAOYSA-N 0 0 195.266 2.145 10 0 AEAERN COCSc1ccc(O)cc1 83749342 573620047 /nfs/dbraw/zinc/62/00/47/573620047.db2.gz LBGRCJHLYFWZAY-UHFFFAOYSA-N 0 0 170.233 2.088 10 0 AEAERN Cc1ccc(O)c2c1C(=O)C[C@@H]2C 75566381 573620073 /nfs/dbraw/zinc/62/00/73/573620073.db2.gz ITKBUDWZAJUGFQ-ZETCQYMHSA-N 0 0 176.215 2.391 10 0 AEAERN CC(=O)[C@]1(CO)CCC(C)=C(C)C1 142797238 573620139 /nfs/dbraw/zinc/62/01/39/573620139.db2.gz VCMGPTJRNCSDLU-LLVKDONJSA-N 0 0 182.263 2.074 10 0 AEAERN CCC[C@@]1(C2CC2)CC[C@](C)(CO)O1 308644889 573620185 /nfs/dbraw/zinc/62/01/85/573620185.db2.gz GNFGVAWEKXBKGV-NEPJUHHUSA-N 0 0 198.306 2.497 10 0 AEAERN CSc1c(C(C)C)noc1N 75562930 573620190 /nfs/dbraw/zinc/62/01/90/573620190.db2.gz DQMJCERGBVVNQH-UHFFFAOYSA-N 0 0 172.253 2.102 10 0 AEAERN Cc1cc(=O)c2c([nH]1)[C@@H](C)CCC2 75567646 573620277 /nfs/dbraw/zinc/62/02/77/573620277.db2.gz RGCGZQYOUPCTLR-ZETCQYMHSA-N 0 0 177.247 2.123 10 0 AEAERN COCn1cc(C)c(C)c1C 83755732 573620205 /nfs/dbraw/zinc/62/02/05/573620205.db2.gz AQCJWCJSQQRJHZ-UHFFFAOYSA-N 0 0 153.225 2.017 10 0 AEAERN CC[C@H](C)[C@H](C)[C@H](O)[C@@H]1C[C@@H]1OC 689976320 573620466 /nfs/dbraw/zinc/62/04/66/573620466.db2.gz DMYWUZWLFBKSGB-HHKYUTTNSA-N 0 0 186.295 2.064 10 0 AEAERN Cc1noc(C)c1/C=C(\CO)C(C)C 211960167 573620471 /nfs/dbraw/zinc/62/04/71/573620471.db2.gz ZRXUXVWLZOPBNA-BJMVGYQFSA-N 0 0 195.262 2.323 10 0 AEAERN Cc1ccc2c(c1O)C(=O)C[C@@H]2C 75566362 573620487 /nfs/dbraw/zinc/62/04/87/573620487.db2.gz DXUYQKCQNSRCBS-ZETCQYMHSA-N 0 0 176.215 2.391 10 0 AEAERN C[C@H](O)[C@H](F)c1ccccc1 142861005 573620578 /nfs/dbraw/zinc/62/05/78/573620578.db2.gz AAAFRBMMBSPWKX-CBAPKCEASA-N 0 0 154.184 2.078 10 0 AEAERN COCSc1ccccc1O 83749343 573620586 /nfs/dbraw/zinc/62/05/86/573620586.db2.gz JWBPBVFHSHVNGL-UHFFFAOYSA-N 0 0 170.233 2.088 10 0 AEAERN C[C@H](O)CC1=COc2ccccc2O1 238452790 573620602 /nfs/dbraw/zinc/62/06/02/573620602.db2.gz YITNPIOTBVSACV-QMMMGPOBSA-N 0 0 192.214 2.070 10 0 AEAERN CC(C)/C(=C/c1cccc(O)c1)CO 211967730 573620956 /nfs/dbraw/zinc/62/09/56/573620956.db2.gz WOKUOXYGDXFNLC-IZZDOVSWSA-N 0 0 192.258 2.424 10 0 AEAERN Cc1ccc(N2CCCC2)cc1O 75567637 573620761 /nfs/dbraw/zinc/62/07/61/573620761.db2.gz RGZPQGZAAYHUNQ-UHFFFAOYSA-N 0 0 177.247 2.301 10 0 AEAERN Cc1ccc([C@H]2CCOC2)cc1N 257837687 573620847 /nfs/dbraw/zinc/62/08/47/573620847.db2.gz LLXMDLCBJSMKQH-JTQLQIEISA-N 0 0 177.247 2.081 10 0 AEAERN C[C@H]1COc2ccccc2C(=O)C1 238451467 573620881 /nfs/dbraw/zinc/62/08/81/573620881.db2.gz MSTAZMMIORMRNF-MRVPVSSYSA-N 0 0 176.215 2.288 10 0 AEAERN O=C1NCc2c1sc1ccccc21 107462063 573620916 /nfs/dbraw/zinc/62/09/16/573620916.db2.gz ALXCYYQDLZJGRM-UHFFFAOYSA-N 0 0 189.239 2.145 10 0 AEAERN CCC(=O)c1cc(C)c(N)c(C)c1 75567616 573620921 /nfs/dbraw/zinc/62/09/21/573620921.db2.gz QDBVPSVCMAHWDN-UHFFFAOYSA-N 0 0 177.247 2.478 10 0 AEAERN C[Si](C)(C)c1cc(Cl)ccc1N 238452389 573620923 /nfs/dbraw/zinc/62/09/23/573620923.db2.gz NITGHTOKTOODOU-UHFFFAOYSA-N 0 0 199.757 2.467 10 0 AEAERN Cc1cc2c(cc1O)[C@H](C)CC2=O 75566432 573620939 /nfs/dbraw/zinc/62/09/39/573620939.db2.gz WLECNODFBSVBAL-ZCFIWIBFSA-N 0 0 176.215 2.391 10 0 AEAERN Cc1cc(=O)oc2ccc(O)c(C)c12 238452898 573620982 /nfs/dbraw/zinc/62/09/82/573620982.db2.gz JHBISIKJZNJHBY-UHFFFAOYSA-N 0 0 190.198 2.115 10 0 AEAERN CC1=CC[C@H](CO)C(C)(C)C1 142808969 573621010 /nfs/dbraw/zinc/62/10/10/573621010.db2.gz ZGXKVNPXTFGSIJ-SECBINFHSA-N 0 0 154.253 2.361 10 0 AEAERN CC(C)c1nc(C=O)[nH]c1C(C)C 257837686 573621078 /nfs/dbraw/zinc/62/10/78/573621078.db2.gz LLWMDIJSXLKNIY-UHFFFAOYSA-N 0 0 180.251 2.469 10 0 AEAERN C[C@@H]1C[C@H](CO)Cc2ccccc21 238452301 573621082 /nfs/dbraw/zinc/62/10/82/573621082.db2.gz DXTVVCYJJMZQGH-ZJUUUORDSA-N 0 0 176.259 2.345 10 0 AEAERN CC(=O)[C@]1(C)[C@H](C)[C@@]1(C)Cl 238451795 573621088 /nfs/dbraw/zinc/62/10/88/573621088.db2.gz PLSXRMMTSBBJSX-APQOSEDMSA-N 0 0 160.644 2.229 10 0 AEAERN Oc1c[nH]c2ccccc2c1=S 75567538 573621108 /nfs/dbraw/zinc/62/11/08/573621108.db2.gz IJPMWIFQTFRKGV-UHFFFAOYSA-N 0 0 177.228 2.229 10 0 AEAERN C[C@@H]1C[C@H](CO)c2ccccc21 238452540 573621101 /nfs/dbraw/zinc/62/11/01/573621101.db2.gz RXYAYIYMJSDWIY-RKDXNWHRSA-N 0 0 162.232 2.270 10 0 AEAERN CO[C@@](C)(CCO)C1CCCCC1 257837665 573621105 /nfs/dbraw/zinc/62/11/05/573621105.db2.gz LKUUVRNESJUBFE-NSHDSACASA-N 0 0 186.295 2.354 10 0 AEAERN COc1cccc(N)c1C(=O)C(C)C 142871598 573621136 /nfs/dbraw/zinc/62/11/36/573621136.db2.gz RRIFMINXWMFWND-UHFFFAOYSA-N 0 0 193.246 2.116 10 0 AEAERN C=C/C(=C\[Si](C)(C)C)CCO 238451685 573621153 /nfs/dbraw/zinc/62/11/53/573621153.db2.gz VCLPGWMIAMOUEY-CMDGGOBGSA-N 0 0 170.328 2.359 10 0 AEAERN C[C@H]1C=CCc2c(O)ccc(O)c21 75566358 573621205 /nfs/dbraw/zinc/62/12/05/573621205.db2.gz TVALZRKXIAKPMU-ZETCQYMHSA-N 0 0 176.215 2.314 10 0 AEAERN C[C@@H]1CC[C@@H](CO)C(C)(C)C1 142791769 573621206 /nfs/dbraw/zinc/62/12/06/573621206.db2.gz OUYXTAMWOJKTQE-BDAKNGLRSA-N 0 0 156.269 2.441 10 0 AEAERN Cc1cc2c(cc1O)[C@@H](C)CC2=O 75566434 573621224 /nfs/dbraw/zinc/62/12/24/573621224.db2.gz WLECNODFBSVBAL-LURJTMIESA-N 0 0 176.215 2.391 10 0 AEAERN C/C=C(\CC)C(=O)NO[C@@H](C)CC 308408086 573621246 /nfs/dbraw/zinc/62/12/46/573621246.db2.gz KQWVZLHWJQFNKS-CYXIBPNKSA-N 0 0 185.267 2.189 10 0 AEAERN C[C@@H]1C[C@H]2C[C@H](CCC2=O)C1 238452674 573621428 /nfs/dbraw/zinc/62/14/28/573621428.db2.gz GKSKDGUCNCCPJW-YIZRAAEISA-N 0 0 152.237 2.402 10 0 AEAERN C[Si](C)(C)c1cc(F)ccc1C=O 238452500 573624130 /nfs/dbraw/zinc/62/41/30/573624130.db2.gz PXXPDXKYLLRVOU-UHFFFAOYSA-N 0 0 196.297 2.183 10 0 AEAERN C[C@H]1CC(=O)C[C@@]2(C)C[C@@]12C 238452677 573624197 /nfs/dbraw/zinc/62/41/97/573624197.db2.gz DKWCCEFAXFLXNI-HGNGGELXSA-N 0 0 152.237 2.402 10 0 AEAERN CC(F)(F)c1ccc(NN)cc1 259533253 573623041 /nfs/dbraw/zinc/62/30/41/573623041.db2.gz QJYFEQVTDVTGOL-UHFFFAOYSA-N 0 0 172.178 2.084 10 0 AEAERN C/C=C\[C@@H]1OC(=O)N[C@H]1CC(C)C 393542680 573623064 /nfs/dbraw/zinc/62/30/64/573623064.db2.gz NJMSPSGZOSESSK-NSVKDGAOSA-N 0 0 183.251 2.086 10 0 AEAERN Cc1cc2cccc(C[C@@H](C)O)c2[nH]1 258075514 573623068 /nfs/dbraw/zinc/62/30/68/573623068.db2.gz MOORGLUSNPJWNN-SECBINFHSA-N 0 0 189.258 2.400 10 0 AEAERN CC[C@](C)([NH3+])c1nc2ccccc2o1 86798358 573623112 /nfs/dbraw/zinc/62/31/12/573623112.db2.gz PMHQMIPJCVQQFS-NSHDSACASA-N 0 0 190.246 2.412 10 0 AEAERN CC(C)[C@@H]1CC(Br)=NO1 257837956 573623149 /nfs/dbraw/zinc/62/31/49/573623149.db2.gz LFEZXTCFPKQNMP-YFKPBYRVSA-N 0 0 192.056 2.140 10 0 AEAERN Cl/C=C/Cc1ccncc1 142793492 573623166 /nfs/dbraw/zinc/62/31/66/573623166.db2.gz FQFGVBUCPIARCJ-ORCRQEGFSA-N 0 0 153.612 2.377 10 0 AEAERN Cc1oc2c(C)cccc2c1C(N)=O 238452400 573623172 /nfs/dbraw/zinc/62/31/72/573623172.db2.gz QSABNRYOQVUAHB-UHFFFAOYSA-N 0 0 189.214 2.149 10 0 AEAERN CC(C)C[C@H](O)c1ccc(F)cc1N 257837913 573623181 /nfs/dbraw/zinc/62/31/81/573623181.db2.gz LDBFEOQRKQMQRT-NSHDSACASA-N 0 0 197.253 2.487 10 0 AEAERN C[C@@H]1Oc2cc(O)ccc2C1(C)C 75568483 573624235 /nfs/dbraw/zinc/62/42/35/573624235.db2.gz PXZMLUZQKRUGQY-ZETCQYMHSA-N 0 0 178.231 2.451 10 0 AEAERN CC(=O)[C@H]1CCC(C)=C1C 224420579 573624243 /nfs/dbraw/zinc/62/42/43/573624243.db2.gz WOGGOICNBMAHSL-VIFPVBQESA-N 0 0 138.210 2.322 10 0 AEAERN CC[C@@H]1CCN1CC(F)(F)C(F)F 308408162 573623457 /nfs/dbraw/zinc/62/34/57/573623457.db2.gz MXBQPZCAYIFYHH-ZCFIWIBFSA-N 0 0 199.191 2.371 10 0 AEAERN CC[C@](C)([NH3+])c1nc2ccccc2[nH]1 86797306 573623526 /nfs/dbraw/zinc/62/35/26/573623526.db2.gz WZAVMYJCXGMOKZ-NSHDSACASA-N 0 0 189.262 2.147 10 0 AEAERN Cc1[nH]c(Cl)c(C=O)c1C 82405791 573623692 /nfs/dbraw/zinc/62/36/92/573623692.db2.gz IZKWYPLDKHYXLX-UHFFFAOYSA-N 0 0 157.600 2.097 10 0 AEAERN Cc1cc([C@H](C)O)c(N(C)C)cc1C 259532339 573623714 /nfs/dbraw/zinc/62/37/14/573623714.db2.gz UJFIGJMMJWPBQN-JTQLQIEISA-N 0 0 193.290 2.423 10 0 AEAERN C[C@H]1CSc2ccccc2[C@@H]1O 238452080 573623728 /nfs/dbraw/zinc/62/37/28/573623728.db2.gz OZASZTUWTSMJEV-OIBJUYFYSA-N 0 0 180.272 2.462 10 0 AEAERN C[C@H]1C[C@H]2CC(=O)C[C@@](F)(C1)C2 238452486 573623755 /nfs/dbraw/zinc/62/37/55/573623755.db2.gz JGWGDYWHVMTUKO-OYNCUSHFSA-N 0 0 170.227 2.494 10 0 AEAERN C[C@@](O)(CC1CC1)c1ccccc1N 142826127 573623833 /nfs/dbraw/zinc/62/38/33/573623833.db2.gz FSAAOVCPBUXNEN-GFCCVEGCSA-N 0 0 191.274 2.276 10 0 AEAERN CC(=O)[C@@H]1CCC(C)=C1C 224420529 573623835 /nfs/dbraw/zinc/62/38/35/573623835.db2.gz WOGGOICNBMAHSL-SECBINFHSA-N 0 0 138.210 2.322 10 0 AEAERN C[C@@]1(C(=O)CCCCF)CCCO1 393543531 573623849 /nfs/dbraw/zinc/62/38/49/573623849.db2.gz OOCZGBOIRFLSDQ-JTQLQIEISA-N 0 0 188.242 2.264 10 0 AEAERN CC[P@@]1(=O)CC=C[C@@H]1C 148147404 573623860 /nfs/dbraw/zinc/62/38/60/573623860.db2.gz VRFRDSYUFDLGPP-IONNQARKSA-N 0 0 144.154 2.328 10 0 AEAERN CCOc1cc2c(cc1O)CCC2 75568518 573623924 /nfs/dbraw/zinc/62/39/24/573623924.db2.gz GBXIBOXDMBUCTA-UHFFFAOYSA-N 0 0 178.231 2.280 10 0 AEAERN C[C@@]1(CCO)C=Cc2ccccc2O1 238452693 573623931 /nfs/dbraw/zinc/62/39/31/573623931.db2.gz CMSZZEPSNXOFPU-LBPRGKRZSA-N 0 0 190.242 2.233 10 0 AEAERN Cc1cnc2[nH]c([C@@H]3C[C@H]3C)nc2c1 86796143 573624119 /nfs/dbraw/zinc/62/41/19/573624119.db2.gz YDTSNEUBPOTNLJ-HTQZYQBOSA-N 0 0 187.246 2.390 10 0 AEAERN CC(=O)[C@]12CCC[C@@H]1C[C@@H]2C 238452921 573623977 /nfs/dbraw/zinc/62/39/77/573623977.db2.gz RMDRSHDEPHJENU-FXBDTBDDSA-N 0 0 152.237 2.402 10 0 AEAERN CC1=CC[C@@H](CO)C(C)(C)C1 142808760 573623995 /nfs/dbraw/zinc/62/39/95/573623995.db2.gz ZGXKVNPXTFGSIJ-VIFPVBQESA-N 0 0 154.253 2.361 10 0 AEAERN Cc1ccc(C)c(C(C)(C)C(N)=O)c1 238452863 573624035 /nfs/dbraw/zinc/62/40/35/573624035.db2.gz LGWMOEPINUZZTO-UHFFFAOYSA-N 0 0 191.274 2.066 10 0 AEAERN Cc1ncnc(NCC2(C)CC2)c1F 224429923 573624261 /nfs/dbraw/zinc/62/42/61/573624261.db2.gz CJKNJHVWRLEVGL-UHFFFAOYSA-N 0 0 195.241 2.136 10 0 AEAERN CC(=O)Nc1cc2ncccc2s1 142806335 573624299 /nfs/dbraw/zinc/62/42/99/573624299.db2.gz ZEWKFKNRVLNHPZ-UHFFFAOYSA-N 0 0 192.243 2.255 10 0 AEAERN C[C@H](O)[C@@H](F)c1ccccc1 142860778 573624375 /nfs/dbraw/zinc/62/43/75/573624375.db2.gz AAAFRBMMBSPWKX-IONNQARKSA-N 0 0 154.184 2.078 10 0 AEAERN Cc1cccc(-c2cnoc2C=O)c1 257834063 573624418 /nfs/dbraw/zinc/62/44/18/573624418.db2.gz LHIIZVGEGBNQMH-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN CCc1ccc(C=O)c(CC)c1O 75568437 573624435 /nfs/dbraw/zinc/62/44/35/573624435.db2.gz GNHCCSSCQKBZJR-UHFFFAOYSA-N 0 0 178.231 2.330 10 0 AEAERN C[C@@H]1C(=O)[C@@]2(C)C=C[C@@H]1C2(C)C 238451881 573624482 /nfs/dbraw/zinc/62/44/82/573624482.db2.gz FRNHWXVTXBGCDW-DKCNOQQISA-N 0 0 164.248 2.424 10 0 AEAERN CC[C@H]1CCN1CC(F)(F)C(F)F 308408161 573624491 /nfs/dbraw/zinc/62/44/91/573624491.db2.gz MXBQPZCAYIFYHH-LURJTMIESA-N 0 0 199.191 2.371 10 0 AEAERN Cc1cnc(-c2ccccn2)c(N)c1 107461073 573624505 /nfs/dbraw/zinc/62/45/05/573624505.db2.gz AYYSAXQMKBDOCV-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CC(=O)[C@]12CCCC[C@H]1[C@@H]2C 238452264 573624761 /nfs/dbraw/zinc/62/47/61/573624761.db2.gz MRQDQCNIFQFXGZ-UJNFCWOMSA-N 0 0 152.237 2.402 10 0 AEAERN CCCC(=O)OCC(C)(C)COC 308408208 573624803 /nfs/dbraw/zinc/62/48/03/573624803.db2.gz NAXAOSYYAKZPCA-UHFFFAOYSA-N 0 0 188.267 2.002 10 0 AEAERN C[C@H]1CC[C@](O)(C(F)(F)F)CC1 238452361 573624867 /nfs/dbraw/zinc/62/48/67/573624867.db2.gz FEBIGBGSIQJCJC-KNVOCYPGSA-N 0 0 182.185 2.490 10 0 AEAERN Cc1cnc2[nH]c(C(F)F)nc2c1 86796071 573624912 /nfs/dbraw/zinc/62/49/12/573624912.db2.gz AFJCPOLEJRMEQW-UHFFFAOYSA-N 0 0 183.161 2.204 10 0 AEAERN Cc1c(C=O)cnc2cc(F)ccc12 257834127 573625109 /nfs/dbraw/zinc/62/51/09/573625109.db2.gz KHFZXJVNCKUECV-UHFFFAOYSA-N 0 0 189.189 2.495 10 0 AEAERN C[C@H](O)O[C@@]12CC[C@@H](C1)[C@@H]1CCC[C@@H]12 238454154 573626127 /nfs/dbraw/zinc/62/61/27/573626127.db2.gz QJUCGESQSRFEPV-DGORSVRFSA-N 0 0 196.290 2.310 10 0 AEAERN Cc1ccc(C(N)=O)c2c1[C@@H](C)CC2 238454409 573626425 /nfs/dbraw/zinc/62/64/25/573626425.db2.gz UKMOPKSFPXULJX-ZETCQYMHSA-N 0 0 189.258 2.144 10 0 AEAERN Cc1cc2nnn(CCF)c2cc1C 96548578 573626302 /nfs/dbraw/zinc/62/63/02/573626302.db2.gz BSZDRYDDKFUNPJ-UHFFFAOYSA-N 0 0 193.225 2.018 10 0 AEAERN C[Si](C)(C)c1cc2cccnc2[nH]1 238454477 573626309 /nfs/dbraw/zinc/62/63/09/573626309.db2.gz MJEXXSKZGDOWGJ-UHFFFAOYSA-N 0 0 190.322 2.108 10 0 AEAERN CCCC[C@H](C)N(C)/C=C\C(=O)OC 308649813 573626327 /nfs/dbraw/zinc/62/63/27/573626327.db2.gz JKTMYWHEVGZJIT-QROTZFDESA-N 0 0 199.294 2.184 10 0 AEAERN CCn1[nH]c(=O)cc1C1CCCC1 257834092 573626354 /nfs/dbraw/zinc/62/63/54/573626354.db2.gz KMCLWKNNBYABAP-UHFFFAOYSA-N 0 0 180.251 2.266 10 0 AEAERN CC1=C2NC(=O)C[C@H](C)[C@H]2CCC1 238453869 573626494 /nfs/dbraw/zinc/62/64/94/573626494.db2.gz VJUMHEMBKMFFIP-DTWKUNHWSA-N 0 0 179.263 2.217 10 0 AEAERN c1cc2nc(OCC3CC3)ccc2[nH]1 257837974 573626498 /nfs/dbraw/zinc/62/64/98/573626498.db2.gz LFULPAOPQZTXJW-UHFFFAOYSA-N 0 0 188.230 2.352 10 0 AEAERN CC(=O)c1cnoc1CC(C)(C)C 259132256 573626512 /nfs/dbraw/zinc/62/65/12/573626512.db2.gz GVZXOFDCTFCXRI-UHFFFAOYSA-N 0 0 181.235 2.466 10 0 AEAERN Cc1cccc(-c2cc(=O)[nH]n2C)c1 257837930 573626518 /nfs/dbraw/zinc/62/65/18/573626518.db2.gz LEDDSDPFGQZHNC-UHFFFAOYSA-N 0 0 188.230 2.101 10 0 AEAERN CC[C@@](C)([NH3+])c1nc2ccccc2o1 86798360 573626614 /nfs/dbraw/zinc/62/66/14/573626614.db2.gz PMHQMIPJCVQQFS-LLVKDONJSA-N 0 0 190.246 2.412 10 0 AEAERN Cc1cnc2[nH]c([C@@H]3C[C@@H]3C)nc2c1 86796139 573626682 /nfs/dbraw/zinc/62/66/82/573626682.db2.gz YDTSNEUBPOTNLJ-JGVFFNPUSA-N 0 0 187.246 2.390 10 0 AEAERN CC[C@@](C)([NH3+])c1nc2ccccc2[nH]1 86797308 573626710 /nfs/dbraw/zinc/62/67/10/573626710.db2.gz WZAVMYJCXGMOKZ-LLVKDONJSA-N 0 0 189.262 2.147 10 0 AEAERN Cc1cccc2c(N)ccc(N)c12 238454352 573626729 /nfs/dbraw/zinc/62/67/29/573626729.db2.gz DDIWOHIFZRJMLN-UHFFFAOYSA-N 0 0 172.231 2.313 10 0 AEAERN Cc1cc(=O)sc2cc(O)ccc12 238453119 573626743 /nfs/dbraw/zinc/62/67/43/573626743.db2.gz JWOGIVRQYJEZJJ-UHFFFAOYSA-N 0 0 192.239 2.276 10 0 AEAERN CCCn1nnc2cc(C)c(C)cc21 96548454 573626744 /nfs/dbraw/zinc/62/67/44/573626744.db2.gz BFHKYSQIMGAVES-UHFFFAOYSA-N 0 0 189.262 2.458 10 0 AEAERN Cc1cnc2[nH]c([C@H]3C[C@@H]3C)nc2c1 86796141 573626753 /nfs/dbraw/zinc/62/67/53/573626753.db2.gz YDTSNEUBPOTNLJ-YUMQZZPRSA-N 0 0 187.246 2.390 10 0 AEAERN Cc1cn(C[C@H](C)O)c2ccccc12 238452987 573626771 /nfs/dbraw/zinc/62/67/71/573626771.db2.gz KROYDSVWJPSRBB-JTQLQIEISA-N 0 0 189.258 2.331 10 0 AEAERN C[C@@H](O)[C@@H]1Cc2c(Cl)cccc2O1 258072338 573626790 /nfs/dbraw/zinc/62/67/90/573626790.db2.gz GXQLDSBEHMNPNI-LDWIPMOCSA-N 0 0 198.649 2.024 10 0 AEAERN CSCc1nc2cc(C)cnc2[nH]1 86796106 573626800 /nfs/dbraw/zinc/62/68/00/573626800.db2.gz PKOUYAMZIFZUQR-UHFFFAOYSA-N 0 0 193.275 2.129 10 0 AEAERN C/C=C/[C@@H](C)OC(=O)OCC 135866262 573626801 /nfs/dbraw/zinc/62/68/01/573626801.db2.gz BZZCHILZVZAOAZ-PTYLAXBQSA-N 0 0 158.197 2.124 10 0 AEAERN Cc1cc2nnn(C(F)F)c2cc1C 96548588 573626817 /nfs/dbraw/zinc/62/68/17/573626817.db2.gz CESQEMAETCVJQD-UHFFFAOYSA-N 0 0 197.188 2.443 10 0 AEAERN CC1=C2NC(=O)C[C@H](C)[C@@H]2CCC1 238453854 573626819 /nfs/dbraw/zinc/62/68/19/573626819.db2.gz VJUMHEMBKMFFIP-IUCAKERBSA-N 0 0 179.263 2.217 10 0 AEAERN C[C@H](c1ccccc1)n1ccccc1=O 96547359 573626823 /nfs/dbraw/zinc/62/68/23/573626823.db2.gz DJQJKOCKECAYCA-LLVKDONJSA-N 0 0 199.253 2.458 10 0 AEAERN C[C@H]1CC(=O)N[C@@H]1c1cccc(F)c1 238454366 573626857 /nfs/dbraw/zinc/62/68/57/573626857.db2.gz PEWPIEGEUBWMRT-CPCISQLKSA-N 0 0 193.221 2.023 10 0 AEAERN CC[C@H](CC(=O)OC)c1cc(C)no1 259532863 573626891 /nfs/dbraw/zinc/62/68/91/573626891.db2.gz AETMJJKVXMWSMV-MRVPVSSYSA-N 0 0 197.234 2.040 10 0 AEAERN CC[C@@H](C)[C@](C)(O)Cc1nccs1 86826577 573629702 /nfs/dbraw/zinc/62/97/02/573629702.db2.gz NQZGKGPDPDXMMN-PSASIEDQSA-N 0 0 199.319 2.483 10 0 AEAERN O[C@@H](C1CCCCCC1)[C@H]1CCOC1 83779215 573626949 /nfs/dbraw/zinc/62/69/49/573626949.db2.gz LKUPMXQALFBHGN-RYUDHWBXSA-N 0 0 198.306 2.354 10 0 AEAERN C[C@@H]1CC[C@](O)(Cc2nccs2)C1 86826816 573629732 /nfs/dbraw/zinc/62/97/32/573629732.db2.gz ZZZXHCHIYPFCMR-PSASIEDQSA-N 0 0 197.303 2.237 10 0 AEAERN Cc1ccc(COCCCO)c(C)c1 96542047 573628039 /nfs/dbraw/zinc/62/80/39/573628039.db2.gz RUSCDZLDYSZXKO-UHFFFAOYSA-N 0 0 194.274 2.202 10 0 AEAERN CC1(C)CCC(c2noc(N)n2)CC1 83778900 573627828 /nfs/dbraw/zinc/62/78/28/573627828.db2.gz PYWCAILQFJUAKQ-UHFFFAOYSA-N 0 0 195.266 2.336 10 0 AEAERN CCCCCN1C=CSCC1=O 96540384 573627889 /nfs/dbraw/zinc/62/78/89/573627889.db2.gz JQSTUESUIWBKGV-UHFFFAOYSA-N 0 0 185.292 2.223 10 0 AEAERN COc1ccc2ncc(O)c(C)c2c1 257834247 573627899 /nfs/dbraw/zinc/62/78/99/573627899.db2.gz KKJNSLQZGHYMPW-UHFFFAOYSA-N 0 0 189.214 2.257 10 0 AEAERN Nc1ccnc(C2CCCCCC2)n1 83779901 573627911 /nfs/dbraw/zinc/62/79/11/573627911.db2.gz ZASBUXKXTJOGRW-UHFFFAOYSA-N 0 0 191.278 2.497 10 0 AEAERN CCOc1cc2ccccc2c(N)n1 75578603 573627985 /nfs/dbraw/zinc/62/79/85/573627985.db2.gz BDFQYGKLJWVMDD-UHFFFAOYSA-N 0 0 188.230 2.216 10 0 AEAERN OC/C=C(\c1ccc(O)cc1)C1CC1 259533008 573629661 /nfs/dbraw/zinc/62/96/61/573629661.db2.gz BEFLMIBFGZSTJG-GHXNOFRVSA-N 0 0 190.242 2.178 10 0 AEAERN CC1=C[C@@](C)(O)c2cccc(C=O)c21 75578518 573629668 /nfs/dbraw/zinc/62/96/68/573629668.db2.gz WYKBHMGIKKJQLH-GFCCVEGCSA-N 0 0 188.226 2.124 10 0 AEAERN Cc1cscc1[C@H](O)c1ccc[nH]1 86816531 573629669 /nfs/dbraw/zinc/62/96/69/573629669.db2.gz DPSFWIVUUNVMQC-JTQLQIEISA-N 0 0 193.271 2.466 10 0 AEAERN Cc1cc2c(C=O)c(C)cn2c(C)n1 75578671 573629710 /nfs/dbraw/zinc/62/97/10/573629710.db2.gz QWUUOSPBYVSLLY-UHFFFAOYSA-N 0 0 188.230 2.072 10 0 AEAERN O=C(Cc1nccs1)c1ccoc1 86827089 573629722 /nfs/dbraw/zinc/62/97/22/573629722.db2.gz TZNGEFHKYDTMEX-UHFFFAOYSA-N 0 0 193.227 2.162 10 0 AEAERN C[C@@H](N)c1nc(C2CCCC2)co1 259533105 573631291 /nfs/dbraw/zinc/63/12/91/573631291.db2.gz BEOIBFUKONYDEY-SSDOTTSWSA-N 0 0 180.251 2.352 10 0 AEAERN CC1=CCOC[C@H]1c1ccccc1N 75579274 573630505 /nfs/dbraw/zinc/63/05/05/573630505.db2.gz REBPQLZOHKVMAE-LLVKDONJSA-N 0 0 189.258 2.329 10 0 AEAERN C[C@H](O)c1ccc2c(c1)OC[C@H]2C 258075534 573630517 /nfs/dbraw/zinc/63/05/17/573630517.db2.gz MORWPJOBEZOPET-SFYZADRCSA-N 0 0 178.231 2.236 10 0 AEAERN CCC1CCC(c2noc(N)n2)CC1 83778394 573630549 /nfs/dbraw/zinc/63/05/49/573630549.db2.gz XWGVRENBGHGOJT-UHFFFAOYSA-N 0 0 195.266 2.336 10 0 AEAERN O[C@@H](Cc1nccs1)c1ccco1 86826626 573630558 /nfs/dbraw/zinc/63/05/58/573630558.db2.gz FEIBNFQAJBJOPC-ZETCQYMHSA-N 0 0 195.243 2.012 10 0 AEAERN Cc1cc2cc(C)c(C=O)n2c(C)n1 75578668 573630573 /nfs/dbraw/zinc/63/05/73/573630573.db2.gz OMYDEPIXQJXPNT-UHFFFAOYSA-N 0 0 188.230 2.072 10 0 AEAERN CC1(CC(=O)[C@@H](O)C2CC2)CCCC1 308649984 573630612 /nfs/dbraw/zinc/63/06/12/573630612.db2.gz JNHQTKGIRFHZPL-NSHDSACASA-N 0 0 196.290 2.297 10 0 AEAERN CCc1ncc(-c2ccc(N)cc2)o1 75578610 573630655 /nfs/dbraw/zinc/63/06/55/573630655.db2.gz LXMWNVVRKPHLPG-UHFFFAOYSA-N 0 0 188.230 2.486 10 0 AEAERN O[C@H]1CCC/C1=C/C(F)(F)F 215530907 573630661 /nfs/dbraw/zinc/63/06/61/573630661.db2.gz ILJLZGMGMTYGOW-XSIKTDMUSA-N 0 0 166.142 2.020 10 0 AEAERN C[C@H]1CC(=O)N[C@H]2CCCCC[C@@H]12 238454693 573630680 /nfs/dbraw/zinc/63/06/80/573630680.db2.gz HLTXPENQRGMMLL-GUBZILKMSA-N 0 0 181.279 2.091 10 0 AEAERN CCCC[C@H](C)N(C)/C=C/C(=O)OC 308649811 573630683 /nfs/dbraw/zinc/63/06/83/573630683.db2.gz JKTMYWHEVGZJIT-DDXVTDLHSA-N 0 0 199.294 2.184 10 0 AEAERN C[C@@H]1COc2cc([C@@H](C)O)ccc21 258075527 573630703 /nfs/dbraw/zinc/63/07/03/573630703.db2.gz MORWPJOBEZOPET-HTQZYQBOSA-N 0 0 178.231 2.236 10 0 AEAERN CCc1cc2cccc(O)c2c(=O)o1 75579509 573630715 /nfs/dbraw/zinc/63/07/15/573630715.db2.gz OSMVFBJTOGCXSZ-UHFFFAOYSA-N 0 0 190.198 2.061 10 0 AEAERN CC[C@@H](C)C(=O)Cc1nccs1 86827084 573630721 /nfs/dbraw/zinc/63/07/21/573630721.db2.gz ZDIHBVHLSLTRRA-SSDOTTSWSA-N 0 0 183.276 2.301 10 0 AEAERN O[C@H](Cc1nccs1)c1ccco1 86826625 573630730 /nfs/dbraw/zinc/63/07/30/573630730.db2.gz FEIBNFQAJBJOPC-SSDOTTSWSA-N 0 0 195.243 2.012 10 0 AEAERN NC(=S)C1CCCCCC1 83778957 573630734 /nfs/dbraw/zinc/63/07/34/573630734.db2.gz OTOSPBVASQOPFN-UHFFFAOYSA-N 0 0 157.282 2.243 10 0 AEAERN C[C@@H](O)[C@H]1Cc2c(Cl)cccc2O1 258072344 573630770 /nfs/dbraw/zinc/63/07/70/573630770.db2.gz GXQLDSBEHMNPNI-LHLIQPBNSA-N 0 0 198.649 2.024 10 0 AEAERN O=Cc1onc2c(Cl)cccc12 257834237 573630892 /nfs/dbraw/zinc/63/08/92/573630892.db2.gz KQRWMUKNMBZZGI-UHFFFAOYSA-N 0 0 181.578 2.294 10 0 AEAERN Cc1cscc1C1N=NC(=S)N1 86815973 573630916 /nfs/dbraw/zinc/63/09/16/573630916.db2.gz IYTMSYURFOXCIM-UHFFFAOYSA-N 0 0 197.288 2.130 10 0 AEAERN C[C@@H]1C(=O)CC[C@H]2[C@@H]1C2(C)C 238454597 573630990 /nfs/dbraw/zinc/63/09/90/573630990.db2.gz FJHHPHMBWUSYDW-BKPPORCPSA-N 0 0 152.237 2.258 10 0 AEAERN Cc1cc(C=O)c(C)n1-n1cccc1 75578675 573630999 /nfs/dbraw/zinc/63/09/99/573630999.db2.gz OPOFHWCJECUWSU-UHFFFAOYSA-N 0 0 188.230 2.030 10 0 AEAERN Cc1ccc2c(c1)CCN(C#N)[C@@H]2C 238459724 573631010 /nfs/dbraw/zinc/63/10/10/573631010.db2.gz GTXTVQGGHATULS-SNVBAGLBSA-N 0 0 186.258 2.395 10 0 AEAERN Cc1cscc1-c1cc(N)n[nH]1 86815717 573631025 /nfs/dbraw/zinc/63/10/25/573631025.db2.gz PXBBCQHXGCMWMQ-UHFFFAOYSA-N 0 0 179.248 2.029 10 0 AEAERN Cc1c(Cl)[nH]c2c(=O)ccccc12 238459896 573631343 /nfs/dbraw/zinc/63/13/43/573631343.db2.gz VKKTZEYGADXTJW-UHFFFAOYSA-N 0 0 193.633 2.490 10 0 AEAERN Cc1cc(C)c(C)c(CCO)c1 258072576 573631070 /nfs/dbraw/zinc/63/10/70/573631070.db2.gz UQOHSXUCRIYQHV-UHFFFAOYSA-N 0 0 164.248 2.147 10 0 AEAERN Cc1ccc(O)c(-c2ccnn2C)c1 75578629 573631085 /nfs/dbraw/zinc/63/10/85/573631085.db2.gz PPPYEAUMUZGOKB-UHFFFAOYSA-N 0 0 188.230 2.101 10 0 AEAERN CC(=C1CC1)[C@H](C)[C@H](C)O 238454874 573631096 /nfs/dbraw/zinc/63/10/96/573631096.db2.gz QAKOXGIXMCVUAY-XPUUQOCRSA-N 0 0 140.226 2.114 10 0 AEAERN CCCC[C@@H](C)N(C)/C=C\C(=O)OC 308649812 573631100 /nfs/dbraw/zinc/63/11/00/573631100.db2.gz JKTMYWHEVGZJIT-HSTULFTRSA-N 0 0 199.294 2.184 10 0 AEAERN Nc1ccn2cc(C3CCC3)nc2c1 258071779 573631188 /nfs/dbraw/zinc/63/11/88/573631188.db2.gz VGZAAHYKQKJRFM-UHFFFAOYSA-N 0 0 187.246 2.184 10 0 AEAERN C[C@]1(CO)CCCCc2ccoc21 238454878 573631347 /nfs/dbraw/zinc/63/13/47/573631347.db2.gz BCVFVKQGWFHSLH-LLVKDONJSA-N 0 0 180.247 2.256 10 0 AEAERN Cc1cscc1-c1ocnc1CO 86826304 573631203 /nfs/dbraw/zinc/63/12/03/573631203.db2.gz CSEURHRDASRAQW-UHFFFAOYSA-N 0 0 195.243 2.204 10 0 AEAERN Nc1nc(C2CCCCCC2)no1 83779945 573631231 /nfs/dbraw/zinc/63/12/31/573631231.db2.gz XUPYLOBBEXSBHE-UHFFFAOYSA-N 0 0 181.239 2.090 10 0 AEAERN CC(=O)[C@H](C)Nc1ccc(F)cc1 238459051 573631254 /nfs/dbraw/zinc/63/12/54/573631254.db2.gz RLWYPUDLTCAHRD-ZETCQYMHSA-N 0 0 181.210 2.215 10 0 AEAERN C[C@@H]1c2ccccc2CCN1C#N 238459811 573631264 /nfs/dbraw/zinc/63/12/64/573631264.db2.gz MCYDDFQHAOCUCL-SECBINFHSA-N 0 0 172.231 2.087 10 0 AEAERN Cc1cccc2c(O)c(N)ccc12 238454720 573631269 /nfs/dbraw/zinc/63/12/69/573631269.db2.gz SWTKGEZCTOKBNE-UHFFFAOYSA-N 0 0 173.215 2.436 10 0 AEAERN CCOc1c(N)ncc2ccccc12 75578605 573631273 /nfs/dbraw/zinc/63/12/73/573631273.db2.gz CUUIBOPOKHBGEY-UHFFFAOYSA-N 0 0 188.230 2.216 10 0 AEAERN C[C@H]1CC(=O)N[C@H]1c1cccc(F)c1 238454675 573631351 /nfs/dbraw/zinc/63/13/51/573631351.db2.gz PEWPIEGEUBWMRT-WRWORJQWSA-N 0 0 193.221 2.023 10 0 AEAERN C[C@@H]1CCC[C@]1(O)Cc1nccs1 86826853 573634169 /nfs/dbraw/zinc/63/41/69/573634169.db2.gz UMDZVRSCQUYNDA-SCZZXKLOSA-N 0 0 197.303 2.237 10 0 AEAERN CNc1ccnc([C@@H]2CC[C@@H](C)C2)n1 83789773 573633967 /nfs/dbraw/zinc/63/39/67/573633967.db2.gz HXQXXQFWWDMZDU-RKDXNWHRSA-N 0 0 191.278 2.422 10 0 AEAERN Nc1ccc2c(Cl)noc2c1 211976410 573632967 /nfs/dbraw/zinc/63/29/67/573632967.db2.gz SWXOZYYZTZGQKG-UHFFFAOYSA-N 0 0 168.583 2.063 10 0 AEAERN CCNc1nc([C@H]2CC[C@H](C)C2)no1 83790087 573634178 /nfs/dbraw/zinc/63/41/78/573634178.db2.gz JSRSVOSPIOLJGG-YUMQZZPRSA-N 0 0 195.266 2.405 10 0 AEAERN CCN[C@@H](C)c1nnc(C(C)(C)C)o1 50618951 573634182 /nfs/dbraw/zinc/63/41/82/573634182.db2.gz IXOLRTPULGSGIK-ZETCQYMHSA-N 0 0 197.282 2.038 10 0 AEAERN CNc1nc([C@H]2CC[C@H](C)C2)no1 83790070 573632928 /nfs/dbraw/zinc/63/29/28/573632928.db2.gz IWBKHUVDTHVKFH-BQBZGAKWSA-N 0 0 181.239 2.015 10 0 AEAERN CC(C)[C@](C)(O)Cc1nccs1 86826567 573632954 /nfs/dbraw/zinc/63/29/54/573632954.db2.gz AURHFEBLYSRBFQ-SECBINFHSA-N 0 0 185.292 2.093 10 0 AEAERN C[C@@H]1CC[C@@H]([C@H](O)C2CCOCC2)C1 83785810 573633022 /nfs/dbraw/zinc/63/30/22/573633022.db2.gz NHNHQEPRYPZUCU-YUSALJHKSA-N 0 0 198.306 2.210 10 0 AEAERN O[C@H](Cc1nccs1)C1CCCC1 86826740 573633026 /nfs/dbraw/zinc/63/30/26/573633026.db2.gz KFTOEAYAZQRJKB-SECBINFHSA-N 0 0 197.303 2.237 10 0 AEAERN C[C@@H]1CC[C@H](C(=O)[C@@H]2CCOC2)C1 83784365 573633105 /nfs/dbraw/zinc/63/31/05/573633105.db2.gz BAAYWUSKYFHYEA-KXUCPTDWSA-N 0 0 182.263 2.028 10 0 AEAERN C/C(=C\Cl)[C@@H](C)[C@H](C)OC=O 238459741 573633113 /nfs/dbraw/zinc/63/31/13/573633113.db2.gz DCSKMQPNFDFLCL-SLQBNDFVSA-N 0 0 176.643 2.327 10 0 AEAERN C/C(=C\Cl)[C@H](C)[C@H](C)OC=O 238459593 573633129 /nfs/dbraw/zinc/63/31/29/573633129.db2.gz DCSKMQPNFDFLCL-ICLDZVTRSA-N 0 0 176.643 2.327 10 0 AEAERN CCCCCc1nnc([C@@H](C)NC)o1 50618418 573633139 /nfs/dbraw/zinc/63/31/39/573633139.db2.gz OYMNYWBDWQYKME-MRVPVSSYSA-N 0 0 197.282 2.083 10 0 AEAERN C[C@H]1CC(C)(C)C2=C1CCC(=O)N2 238460165 573633148 /nfs/dbraw/zinc/63/31/48/573633148.db2.gz CDVFPRHDTQQOSD-ZETCQYMHSA-N 0 0 179.263 2.217 10 0 AEAERN C[C@H]1CC[C@@H](C(=O)c2nccn2C)C1 83784613 573633199 /nfs/dbraw/zinc/63/31/99/573633199.db2.gz SFEDLCZFBFIYHS-DTWKUNHWSA-N 0 0 192.262 2.039 10 0 AEAERN CCNc1nc([C@@H]2CC[C@H](C)C2)no1 83790085 573633205 /nfs/dbraw/zinc/63/32/05/573633205.db2.gz JSRSVOSPIOLJGG-JGVFFNPUSA-N 0 0 195.266 2.405 10 0 AEAERN Cc1cscc1-c1nc(N)ns1 86825996 573633227 /nfs/dbraw/zinc/63/32/27/573633227.db2.gz CSCXEXXZZCOVJE-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN C[C@@H]1CC[C@H]([C@H](O)C2CCOCC2)C1 83785807 573633228 /nfs/dbraw/zinc/63/32/28/573633228.db2.gz NHNHQEPRYPZUCU-ADEWGFFLSA-N 0 0 198.306 2.210 10 0 AEAERN COC(=O)[C@@H](c1nccs1)C(C)C 96584416 573633241 /nfs/dbraw/zinc/63/32/41/573633241.db2.gz AHNLBZAUFLKGPG-SSDOTTSWSA-N 0 0 199.275 2.056 10 0 AEAERN Cc1cscc1-c1cnc(CN)o1 86826007 573633251 /nfs/dbraw/zinc/63/32/51/573633251.db2.gz PKJNNWPBCUTARV-UHFFFAOYSA-N 0 0 194.259 2.170 10 0 AEAERN Cc1cccc2nc(CO)sc12 238459124 573633256 /nfs/dbraw/zinc/63/32/56/573633256.db2.gz KMEYTGMMWXHVIF-UHFFFAOYSA-N 0 0 179.244 2.097 10 0 AEAERN Cc1ccc2c(c1)[C@@H](C)N(C#N)CC2 238459768 573633262 /nfs/dbraw/zinc/63/32/62/573633262.db2.gz GQORTJYKKCRFSY-SNVBAGLBSA-N 0 0 186.258 2.395 10 0 AEAERN CCC(=O)[C@@H]1CC[C@H](C)C1 83784575 573633267 /nfs/dbraw/zinc/63/32/67/573633267.db2.gz YZLAGNAINAZUAW-JGVFFNPUSA-N 0 0 140.226 2.402 10 0 AEAERN Cc1cccc2c1CCN(C#N)[C@@H]2C 238459706 573633282 /nfs/dbraw/zinc/63/32/82/573633282.db2.gz TZYRVAJFELAWFM-SNVBAGLBSA-N 0 0 186.258 2.395 10 0 AEAERN Cc1ccc(C)c2c1NC(=O)C2(F)F 238459304 573633291 /nfs/dbraw/zinc/63/32/91/573633291.db2.gz DJPUWHWEIQJGCN-UHFFFAOYSA-N 0 0 197.184 2.347 10 0 AEAERN COC(=N)[C@H]1CC[C@H](C)C1 83789134 573633307 /nfs/dbraw/zinc/63/33/07/573633307.db2.gz ZJCKTOFTGBODMG-BQBZGAKWSA-N 0 0 141.214 2.046 10 0 AEAERN Cc1ocnc1-c1ccc(C=O)cc1 257834951 573633314 /nfs/dbraw/zinc/63/33/14/573633314.db2.gz KUZAIRNMJGYDJD-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN Cc1cscc1[C@@H](O)c1cc[nH]c1 86816537 573633318 /nfs/dbraw/zinc/63/33/18/573633318.db2.gz ORQKVPTUDPKMOW-JTQLQIEISA-N 0 0 193.271 2.466 10 0 AEAERN Cn1cc(N)c(-c2ccccc2F)c1 258073603 573633354 /nfs/dbraw/zinc/63/33/54/573633354.db2.gz HQKZMYXDVCCXSC-UHFFFAOYSA-N 0 0 190.221 2.413 10 0 AEAERN O[C@H]1Cc2cccc(C(F)(F)F)c21 257834998 573633358 /nfs/dbraw/zinc/63/33/58/573633358.db2.gz KLNPKDJEYMFFOV-ZETCQYMHSA-N 0 0 188.148 2.295 10 0 AEAERN Cc1ccc(O)c2ccncc12 238459858 573633371 /nfs/dbraw/zinc/63/33/71/573633371.db2.gz FRXWJITWAOQCHJ-UHFFFAOYSA-N 0 0 159.188 2.249 10 0 AEAERN C[C@H]1CC[C@H](C(=O)c2cncnc2)C1 83784866 573633383 /nfs/dbraw/zinc/63/33/83/573633383.db2.gz CTRVYZFIKRMKHW-IUCAKERBSA-N 0 0 190.246 2.096 10 0 AEAERN C[C@@H]1CC[C@@H](C(=O)[C@@H]2CCOC2)C1 83784372 573633399 /nfs/dbraw/zinc/63/33/99/573633399.db2.gz BAAYWUSKYFHYEA-OPRDCNLKSA-N 0 0 182.263 2.028 10 0 AEAERN CCc1nc(-c2cscc2C)n[nH]1 86815938 573633423 /nfs/dbraw/zinc/63/34/23/573633423.db2.gz VPCNOPLPYCCQRW-UHFFFAOYSA-N 0 0 193.275 2.404 10 0 AEAERN C[C@@H]1CC[C@H](C(=O)c2cnn(C)c2)C1 83784276 573634203 /nfs/dbraw/zinc/63/42/03/573634203.db2.gz YAAODHJFLSWSHN-BDAKNGLRSA-N 0 0 192.262 2.039 10 0 AEAERN CCC(CC)c1nnc([C@@H](C)NC)o1 50618429 573633466 /nfs/dbraw/zinc/63/34/66/573633466.db2.gz OLHSGPORYUERTG-SSDOTTSWSA-N 0 0 197.282 2.254 10 0 AEAERN CNc1ccnc([C@@H]2CC[C@H](C)C2)n1 83789775 573633491 /nfs/dbraw/zinc/63/34/91/573633491.db2.gz HXQXXQFWWDMZDU-DTWKUNHWSA-N 0 0 191.278 2.422 10 0 AEAERN Nc1ccccc1[C@H](F)[C@@H]1CCOC1 257834509 573633527 /nfs/dbraw/zinc/63/35/27/573633527.db2.gz ABJVRYJSZHBLMZ-LDYMZIIASA-N 0 0 195.237 2.316 10 0 AEAERN CCC[C@H](C)c1nnc([C@H](C)NC)o1 50618522 573633546 /nfs/dbraw/zinc/63/35/46/573633546.db2.gz DELPEIYLJRLUSP-YUMQZZPRSA-N 0 0 197.282 2.254 10 0 AEAERN C[Si](C)(C)c1ccc2c(c1)CCN2 238454585 573633558 /nfs/dbraw/zinc/63/35/58/573633558.db2.gz VHVDKRPHBDLKHE-UHFFFAOYSA-N 0 0 191.350 2.200 10 0 AEAERN CCCCCc1nnc([C@H](C)NC)o1 50618419 573633578 /nfs/dbraw/zinc/63/35/78/573633578.db2.gz OYMNYWBDWQYKME-QMMMGPOBSA-N 0 0 197.282 2.083 10 0 AEAERN Cc1cc(N)nc([C@@H]2CC[C@H](C)C2)n1 83789674 573633579 /nfs/dbraw/zinc/63/35/79/573633579.db2.gz MOJAFPCIDQCLKO-IONNQARKSA-N 0 0 191.278 2.271 10 0 AEAERN Nc1ccccc1[C@H](F)[C@H]1CCOC1 257834506 573633580 /nfs/dbraw/zinc/63/35/80/573633580.db2.gz ABJVRYJSZHBLMZ-GZMMTYOYSA-N 0 0 195.237 2.316 10 0 AEAERN C[C@H]1CC[C@H](c2nc(Cl)n[nH]2)C1 83791187 573633606 /nfs/dbraw/zinc/63/36/06/573633606.db2.gz RYCLHTSOKOFPNH-WDSKDSINSA-N 0 0 185.658 2.362 10 0 AEAERN C[C@@H]1CC[C@@H]([C@H](O)C2CC2)C1 83785714 573633617 /nfs/dbraw/zinc/63/36/17/573633617.db2.gz DXNVQCGEAFYLJB-SZEHBUNVSA-N 0 0 154.253 2.194 10 0 AEAERN O=C(/C=C\C1CC1)OCCC1CC1 308409691 573633649 /nfs/dbraw/zinc/63/36/49/573633649.db2.gz NTHRWCRVRNZSFA-WAYWQWQTSA-N 0 0 180.247 2.296 10 0 AEAERN C=Cc1ccc(NC(N)=O)c(C)c1 238459815 573633667 /nfs/dbraw/zinc/63/36/67/573633667.db2.gz XMRPTQRKWDVOQT-UHFFFAOYSA-N 0 0 176.219 2.129 10 0 AEAERN C[C@H]1CC[C@@](O)(Cc2nccs2)C1 86826819 573633689 /nfs/dbraw/zinc/63/36/89/573633689.db2.gz ZZZXHCHIYPFCMR-WPRPVWTQSA-N 0 0 197.303 2.237 10 0 AEAERN CCN[C@H](C)c1nnc(C(C)(C)C)o1 50618952 573633692 /nfs/dbraw/zinc/63/36/92/573633692.db2.gz IXOLRTPULGSGIK-SSDOTTSWSA-N 0 0 197.282 2.038 10 0 AEAERN CCOCc1ccc(C)cc1N 258073517 573633697 /nfs/dbraw/zinc/63/36/97/573633697.db2.gz HOABMLNVMWIQQJ-UHFFFAOYSA-N 0 0 165.236 2.114 10 0 AEAERN CNc1nc([C@@H]2CC[C@H](C)C2)no1 83790075 573633736 /nfs/dbraw/zinc/63/37/36/573633736.db2.gz IWBKHUVDTHVKFH-NKWVEPMBSA-N 0 0 181.239 2.015 10 0 AEAERN CC[C@H](CO)C1(CC(C)C)COC1 258826548 573633740 /nfs/dbraw/zinc/63/37/40/573633740.db2.gz ZFVDLRALXLPANL-SNVBAGLBSA-N 0 0 186.295 2.068 10 0 AEAERN CCCCc1nnc([C@H](C)NCC)o1 50618868 573633753 /nfs/dbraw/zinc/63/37/53/573633753.db2.gz ZDHVOKPKWNRXNQ-QMMMGPOBSA-N 0 0 197.282 2.083 10 0 AEAERN C=Cc1cc(C)c(C=O)o1 238460014 573633769 /nfs/dbraw/zinc/63/37/69/573633769.db2.gz MERLKASLSYFRPH-UHFFFAOYSA-N 0 0 136.150 2.044 10 0 AEAERN Cc1noc2c(C3(O)CC3)cccc12 258072855 573633773 /nfs/dbraw/zinc/63/37/73/573633773.db2.gz MLEZOGAHKOYTMA-UHFFFAOYSA-N 0 0 189.214 2.118 10 0 AEAERN C[C@H]1CC[C@@H](C(=O)c2cnccn2)C1 83784987 573633800 /nfs/dbraw/zinc/63/38/00/573633800.db2.gz ASJSSHTZXBDNBW-DTWKUNHWSA-N 0 0 190.246 2.096 10 0 AEAERN Cc1cccc2nc(N)nc(Cl)c12 238459330 573633802 /nfs/dbraw/zinc/63/38/02/573633802.db2.gz IAJJXFQBLNCXAT-UHFFFAOYSA-N 0 0 193.637 2.174 10 0 AEAERN O=C(/C=C/C1CC1)OCCC1CC1 308409690 573633815 /nfs/dbraw/zinc/63/38/15/573633815.db2.gz NTHRWCRVRNZSFA-AATRIKPKSA-N 0 0 180.247 2.296 10 0 AEAERN CCC(=O)[C@H]1CC[C@@H](C)C1 83784581 573633838 /nfs/dbraw/zinc/63/38/38/573633838.db2.gz YZLAGNAINAZUAW-SFYZADRCSA-N 0 0 140.226 2.402 10 0 AEAERN C[C@H]1CC[C@@H](C(=O)C2CCOCC2)C1 83784792 573633845 /nfs/dbraw/zinc/63/38/45/573633845.db2.gz AZDWYSSZGCPTJA-GXSJLCMTSA-N 0 0 196.290 2.418 10 0 AEAERN C[C@H]1CC[C@@H](C(=O)C2CC2)C1 83784205 573633855 /nfs/dbraw/zinc/63/38/55/573633855.db2.gz YYZXYSFKRGAHHD-IONNQARKSA-N 0 0 152.237 2.402 10 0 AEAERN C[C@@H]1CC[C@@H](c2nc(C=O)c[nH]2)C1 83791153 573633862 /nfs/dbraw/zinc/63/38/62/573633862.db2.gz AGBFGQHMSPSCFF-HTQZYQBOSA-N 0 0 178.235 2.126 10 0 AEAERN Cc1cc(N)nc([C@H]2CC[C@@H](C)C2)n1 83789679 573633904 /nfs/dbraw/zinc/63/39/04/573633904.db2.gz MOJAFPCIDQCLKO-APPZFPTMSA-N 0 0 191.278 2.271 10 0 AEAERN Nc1ccccc1C1=CCSC1 257834892 573633921 /nfs/dbraw/zinc/63/39/21/573633921.db2.gz KSJLFSFNXWRFOH-UHFFFAOYSA-N 0 0 177.272 2.399 10 0 AEAERN C[C@@H]1CCC[C@H](C[C@H]2COC[C@@H]2O)C1 687964412 573633942 /nfs/dbraw/zinc/63/39/42/573633942.db2.gz COIIGMQEOCUYPA-RHYQMDGZSA-N 0 0 198.306 2.210 10 0 AEAERN Cc1cscc1[C@H](O)c1cc[nH]c1 86816535 573633949 /nfs/dbraw/zinc/63/39/49/573633949.db2.gz ORQKVPTUDPKMOW-SNVBAGLBSA-N 0 0 193.271 2.466 10 0 AEAERN COc1ccccc1C(=N)SC 258826319 573633958 /nfs/dbraw/zinc/63/39/58/573633958.db2.gz URFYBCHZICINBZ-UHFFFAOYSA-N 0 0 181.260 2.384 10 0 AEAERN O[C@@H](Cc1nccs1)c1ccoc1 86826720 573633983 /nfs/dbraw/zinc/63/39/83/573633983.db2.gz BYHNAQBBCHRBJC-QMMMGPOBSA-N 0 0 195.243 2.012 10 0 AEAERN CC(C)[C@@H](O)[C@@H]1CC[C@@H](C)C1 83785746 573633986 /nfs/dbraw/zinc/63/39/86/573633986.db2.gz BDODLRACYXWBOT-OPRDCNLKSA-N 0 0 156.269 2.440 10 0 AEAERN CCNc1nc([C@H]2CC[C@@H](C)C2)no1 83790091 573633999 /nfs/dbraw/zinc/63/39/99/573633999.db2.gz JSRSVOSPIOLJGG-SFYZADRCSA-N 0 0 195.266 2.405 10 0 AEAERN C[C@@H]1CC[C@@H](C(=O)c2cncnc2)C1 83784868 573634012 /nfs/dbraw/zinc/63/40/12/573634012.db2.gz CTRVYZFIKRMKHW-RKDXNWHRSA-N 0 0 190.246 2.096 10 0 AEAERN Cc1nc(N)c2cc(C(C)C)oc2n1 257835042 573634035 /nfs/dbraw/zinc/63/40/35/573634035.db2.gz KMZUJZONKIGBGS-UHFFFAOYSA-N 0 0 191.234 2.237 10 0 AEAERN C[C@H]1CC[C@@H](c2nccc(C=O)n2)C1 83790198 573634047 /nfs/dbraw/zinc/63/40/47/573634047.db2.gz HSPZOCQGSPNFBK-DTWKUNHWSA-N 0 0 190.246 2.193 10 0 AEAERN C[C@@H](O)c1ncc2ccc(Cl)cn12 257834995 573634252 /nfs/dbraw/zinc/63/42/52/573634252.db2.gz KLKZNOONMLUMNV-ZCFIWIBFSA-N 0 0 196.637 2.041 10 0 AEAERN Nc1ccccc1[C@@H](F)[C@@H]1CCOC1 257834507 573634260 /nfs/dbraw/zinc/63/42/60/573634260.db2.gz ABJVRYJSZHBLMZ-KCJUWKMLSA-N 0 0 195.237 2.316 10 0 AEAERN C[C@H]1CC[C@@H](C(=O)c2cncnc2)C1 83784870 573634271 /nfs/dbraw/zinc/63/42/71/573634271.db2.gz CTRVYZFIKRMKHW-DTWKUNHWSA-N 0 0 190.246 2.096 10 0 AEAERN Cc1cc(C)c(N2CCCC2)cc1N 75579938 573634277 /nfs/dbraw/zinc/63/42/77/573634277.db2.gz BQNOUQUCOMSVIU-UHFFFAOYSA-N 0 0 190.290 2.486 10 0 AEAERN C[C@@H]1CCC[C@@]1(O)Cc1nccs1 86826855 573634318 /nfs/dbraw/zinc/63/43/18/573634318.db2.gz UMDZVRSCQUYNDA-PSASIEDQSA-N 0 0 197.303 2.237 10 0 AEAERN CC(C)c1nc(Cl)c(N)cc1N 257834883 573635648 /nfs/dbraw/zinc/63/56/48/573635648.db2.gz KSELMJPJGPSFAO-UHFFFAOYSA-N 0 0 185.658 2.023 10 0 AEAERN Cc1cc(C=O)c(C(F)F)nc1F 238460783 573635718 /nfs/dbraw/zinc/63/57/18/573635718.db2.gz ZBWCVTPVOGWYOD-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN C[C@H]1CC[C@H](C(=O)c2nccn2C)C1 83784609 573635149 /nfs/dbraw/zinc/63/51/49/573635149.db2.gz SFEDLCZFBFIYHS-IUCAKERBSA-N 0 0 192.262 2.039 10 0 AEAERN CC(=O)C[C@@H]1COc2cccc(C)c21 258074890 573635151 /nfs/dbraw/zinc/63/51/51/573635151.db2.gz GZXAFFSCCGNGSI-SNVBAGLBSA-N 0 0 190.242 2.450 10 0 AEAERN CCOC(=N)[C@@H]1CC[C@H](C)C1 83789141 573635164 /nfs/dbraw/zinc/63/51/64/573635164.db2.gz XGYYEUCDSLPAJG-JGVFFNPUSA-N 0 0 155.241 2.436 10 0 AEAERN CCCC(=O)Nc1cnccc1Cl 96604404 573635311 /nfs/dbraw/zinc/63/53/11/573635311.db2.gz FMIDSUISGGXEBO-UHFFFAOYSA-N 0 0 198.653 2.474 10 0 AEAERN Cc1cc(C=O)c(C(F)F)nc1C 238460647 573635215 /nfs/dbraw/zinc/63/52/15/573635215.db2.gz UOLNLUNTGVXKEB-UHFFFAOYSA-N 0 0 185.173 2.449 10 0 AEAERN C[C@@H]1CCC[C@H](C[C@H]2COC[C@H]2O)C1 687964409 573635219 /nfs/dbraw/zinc/63/52/19/573635219.db2.gz COIIGMQEOCUYPA-NOOOWODRSA-N 0 0 198.306 2.210 10 0 AEAERN C[C@H]1C(=O)CCc2cc(O)ccc21 259146869 573635220 /nfs/dbraw/zinc/63/52/20/573635220.db2.gz GRKZDNZOUNEWBM-SSDOTTSWSA-N 0 0 176.215 2.011 10 0 AEAERN Cc1ncc(/C=C(\CO)C(C)C)s1 211976448 573635255 /nfs/dbraw/zinc/63/52/55/573635255.db2.gz VCTVRMYKEBYCGS-RUDMXATFSA-N 0 0 197.303 2.483 10 0 AEAERN CCC(=O)[C@H]1CC[C@H](C)C1 83784577 573635276 /nfs/dbraw/zinc/63/52/76/573635276.db2.gz YZLAGNAINAZUAW-YUMQZZPRSA-N 0 0 140.226 2.402 10 0 AEAERN CCCOCC[C@H](C(C)C)[C@H](C)O 233232417 573635326 /nfs/dbraw/zinc/63/53/26/573635326.db2.gz XOHSEOZNRGIGOQ-WDEREUQCSA-N 0 0 188.311 2.456 10 0 AEAERN C[C@H]1CCC[C@@H](n2cc[nH]c2=O)CC1 235621428 573635336 /nfs/dbraw/zinc/63/53/36/573635336.db2.gz REXFSYAYDAPCGX-VHSXEESVSA-N 0 0 194.278 2.318 10 0 AEAERN CCOC(=N)[C@H]1CC[C@H](C)C1 83789142 573635350 /nfs/dbraw/zinc/63/53/50/573635350.db2.gz XGYYEUCDSLPAJG-YUMQZZPRSA-N 0 0 155.241 2.436 10 0 AEAERN COc1ccc(SO)c(OC)c1 259147378 573635372 /nfs/dbraw/zinc/63/53/72/573635372.db2.gz FHFYUPKJXOITTN-UHFFFAOYSA-N 0 0 186.232 2.269 10 0 AEAERN C[C@@H]1COc2cccc([C@@H](C)O)c21 258072956 573635378 /nfs/dbraw/zinc/63/53/78/573635378.db2.gz MJTPEMMVJVIINL-HTQZYQBOSA-N 0 0 178.231 2.236 10 0 AEAERN C[C@H]1CC[C@@H](C(=O)c2cnn(C)c2)C1 83784286 573635400 /nfs/dbraw/zinc/63/54/00/573635400.db2.gz YAAODHJFLSWSHN-DTWKUNHWSA-N 0 0 192.262 2.039 10 0 AEAERN CC[C@@H]1CCC[C@@H](c2noc(N)n2)C1 83790049 573635435 /nfs/dbraw/zinc/63/54/35/573635435.db2.gz RBATYVHLUAFVKH-HTQZYQBOSA-N 0 0 195.266 2.336 10 0 AEAERN Cc1cccc2c1N[C@H]1OCC[C@]21C 238460803 573635450 /nfs/dbraw/zinc/63/54/50/573635450.db2.gz OWIXFJADQVENIO-NWDGAFQWSA-N 0 0 189.258 2.425 10 0 AEAERN Cc1cc(C=O)c(C(F)F)c(F)n1 238460473 573635464 /nfs/dbraw/zinc/63/54/64/573635464.db2.gz UFMZSOZFHIRWON-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN CCC(=O)[C@@H](CC)[C@@H](O)CC(C)C 238293330 573635475 /nfs/dbraw/zinc/63/54/75/573635475.db2.gz KMBUGNBGTFPMGZ-KOLCDFICSA-N 0 0 186.295 2.399 10 0 AEAERN Cc1cccnc1[C@@H]1CCCC1=O 238460615 573635519 /nfs/dbraw/zinc/63/55/19/573635519.db2.gz OIZRVCJTJJTZMA-SECBINFHSA-N 0 0 175.231 2.227 10 0 AEAERN Cc1cc(N)nc([C@@H]2CC[C@@H](C)C2)n1 83789677 573635536 /nfs/dbraw/zinc/63/55/36/573635536.db2.gz MOJAFPCIDQCLKO-VXNVDRBHSA-N 0 0 191.278 2.271 10 0 AEAERN C[C@@H]1C=C(CO)CC(C)(C)C1 238460513 573635560 /nfs/dbraw/zinc/63/55/60/573635560.db2.gz WFPBATQOJRWOIZ-MRVPVSSYSA-N 0 0 154.253 2.361 10 0 AEAERN CC(=O)c1nc([C@H]2CC[C@H](C)C2)no1 83790930 573635572 /nfs/dbraw/zinc/63/55/72/573635572.db2.gz FCEUFKNJQWAAIV-XPUUQOCRSA-N 0 0 194.234 2.176 10 0 AEAERN Clc1ccc([C@@H]2CCNO2)cc1 257834910 573635640 /nfs/dbraw/zinc/63/56/40/573635640.db2.gz KTJNGYRVRIMCGP-VIFPVBQESA-N 0 0 183.638 2.306 10 0 AEAERN CCOC(=O)N[C@@H]1CCCC1(C)C 86831859 573635641 /nfs/dbraw/zinc/63/56/41/573635641.db2.gz LUULVWAMKFSWRM-MRVPVSSYSA-N 0 0 185.267 2.311 10 0 AEAERN C[C@@H]1CC[C@@H](c2ncc(C=O)cn2)C1 83790219 573635617 /nfs/dbraw/zinc/63/56/17/573635617.db2.gz VDEXNJRUHGGZDU-PSASIEDQSA-N 0 0 190.246 2.193 10 0 AEAERN Nc1cccc([C@@]2(F)CCCOC2)c1 257834991 573635624 /nfs/dbraw/zinc/63/56/24/573635624.db2.gz KLFMSCSXZFDNSB-LLVKDONJSA-N 0 0 195.237 2.244 10 0 AEAERN C[C@H]1CC[C@@H](c2nc(C=O)c[nH]2)C1 83791156 573635625 /nfs/dbraw/zinc/63/56/25/573635625.db2.gz AGBFGQHMSPSCFF-JGVFFNPUSA-N 0 0 178.235 2.126 10 0 AEAERN CNc1nc([C@H]2CC[C@@H](C)C2)no1 83790068 573635653 /nfs/dbraw/zinc/63/56/53/573635653.db2.gz 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C[C@H]1NC(=O)C[C@]12CCCCC2(C)C 86850495 573650409 /nfs/dbraw/zinc/65/04/09/573650409.db2.gz JEVAOTUJVJBISG-BXKDBHETSA-N 0 0 195.306 2.481 10 0 AEAERN CCCC[C@H](O)[C@H]1C[C@@H]1C 83807747 573650421 /nfs/dbraw/zinc/65/04/21/573650421.db2.gz JQJOJJWVYBCERI-CIUDSAMLSA-N 0 0 142.242 2.194 10 0 AEAERN CCNc1cc(C)nc([C@@H]2C[C@H]2C)n1 83810047 573650450 /nfs/dbraw/zinc/65/04/50/573650450.db2.gz DUGNVVLZLWKHMA-VXNVDRBHSA-N 0 0 191.278 2.340 10 0 AEAERN Cc1c(Cl)ccc2c1[C@H](O)CO2 238466606 573650468 /nfs/dbraw/zinc/65/04/68/573650468.db2.gz FXHGDMNWKIPPRJ-SSDOTTSWSA-N 0 0 184.622 2.074 10 0 AEAERN CC1(C)CCCC[C@]12COC(=O)N2 86850402 573650519 /nfs/dbraw/zinc/65/05/19/573650519.db2.gz LRHROANTKMQMCZ-JTQLQIEISA-N 0 0 183.251 2.065 10 0 AEAERN CCCc1cc(N)nc([C@H]2C[C@@H]2C)n1 83810006 573650528 /nfs/dbraw/zinc/65/05/28/573650528.db2.gz AEBALBHOEWUDHI-CBAPKCEASA-N 0 0 191.278 2.135 10 0 AEAERN Cc1cccc(CC(F)(F)C(=N)N)c1 257840252 573650564 /nfs/dbraw/zinc/65/05/64/573650564.db2.gz 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573650714 /nfs/dbraw/zinc/65/07/14/573650714.db2.gz NNZSSCXRDMOPGM-RNFRBKRXSA-N 0 0 196.262 2.146 10 0 AEAERN C[C@H]1[C@H](O)CCC12CCCC2 238465931 573650726 /nfs/dbraw/zinc/65/07/26/573650726.db2.gz JDFWSSKNWKGKHY-DTWKUNHWSA-N 0 0 154.253 2.338 10 0 AEAERN C=C=C[C@@H](O)c1ccc(OCC)cc1 238297717 573650762 /nfs/dbraw/zinc/65/07/62/573650762.db2.gz SSHFDZRRWUCHPG-GFCCVEGCSA-N 0 0 190.242 2.460 10 0 AEAERN CC1(C)CCCC[C@]12C[C@@H](O)CCO2 86850129 573650778 /nfs/dbraw/zinc/65/07/78/573650778.db2.gz GNQQAGMRTHHAOK-JQWIXIFHSA-N 0 0 198.306 2.497 10 0 AEAERN Cc1ccccc1CC(F)(F)C(=N)N 257840662 573650781 /nfs/dbraw/zinc/65/07/81/573650781.db2.gz BNHFYWNFZKPCFL-UHFFFAOYSA-N 0 0 198.216 2.109 10 0 AEAERN CCc1nc(C)c(C2(CO)CC2)s1 259151763 573650807 /nfs/dbraw/zinc/65/08/07/573650807.db2.gz DMWQCUVGAAKWJG-UHFFFAOYSA-N 0 0 197.303 2.038 10 0 AEAERN C[C@H]1C[C@H]1c1nc(N)cc(C2CC2)n1 83810154 573650814 /nfs/dbraw/zinc/65/08/14/573650814.db2.gz GPJQQOBOVFXAJC-POYBYMJQSA-N 0 0 189.262 2.060 10 0 AEAERN S=c1ncc(OC2CCCC2)c[nH]1 258841557 573650815 /nfs/dbraw/zinc/65/08/15/573650815.db2.gz ZMTWMABMIRHOCU-UHFFFAOYSA-N 0 0 196.275 2.087 10 0 AEAERN CC(C)CC(=O)[C@H]1CCCC(=O)C1 258844376 573650889 /nfs/dbraw/zinc/65/08/89/573650889.db2.gz PYRPNUOEAXFWJV-VIFPVBQESA-N 0 0 182.263 2.361 10 0 AEAERN CCCc1cc(N)nc([C@H]2C[C@H]2C)n1 83810008 573650936 /nfs/dbraw/zinc/65/09/36/573650936.db2.gz AEBALBHOEWUDHI-APPZFPTMSA-N 0 0 191.278 2.135 10 0 AEAERN Cc1ccc(C(F)(F)CO)s1 257840050 573650938 /nfs/dbraw/zinc/65/09/38/573650938.db2.gz NMLDYABUSLQEGO-UHFFFAOYSA-N 0 0 178.203 2.141 10 0 AEAERN C[NH2+][C@@]1(CC(=O)[O-])CCCCC1(C)C 86850348 573650942 /nfs/dbraw/zinc/65/09/42/573650942.db2.gz ANRHRFAGPBYDOX-LLVKDONJSA-N 0 0 199.294 2.020 10 0 AEAERN CCNc1ccnc([C@@H]2C[C@H]2C)n1 83810103 573650960 /nfs/dbraw/zinc/65/09/60/573650960.db2.gz SLXFVCSTILPYQT-HTQZYQBOSA-N 0 0 177.251 2.032 10 0 AEAERN C[C@]1(c2ccc(O)cc2)OCCS1 238466721 573650995 /nfs/dbraw/zinc/65/09/95/573650995.db2.gz AQAKCIGUVBEHBM-JTQLQIEISA-N 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/nfs/dbraw/zinc/65/11/60/573651160.db2.gz SGILDOHGTXGSNT-JQWIXIFHSA-N 0 0 198.306 2.354 10 0 AEAERN C[C@H]1NC(=O)N[C@@H]1CC1CCCCC1 238466592 573651165 /nfs/dbraw/zinc/65/11/65/573651165.db2.gz GRKHTSOKVDBEHR-PSASIEDQSA-N 0 0 196.294 2.027 10 0 AEAERN CC(C)c1cc(N)nc([C@@H]2C[C@H]2C)n1 83810019 573651202 /nfs/dbraw/zinc/65/12/02/573651202.db2.gz JBQWEKPPHXVWOA-HTQZYQBOSA-N 0 0 191.278 2.306 10 0 AEAERN CONCc1cccc([C@H](C)F)c1 258080725 573651209 /nfs/dbraw/zinc/65/12/09/573651209.db2.gz NETORIVWVWVWJD-QMMMGPOBSA-N 0 0 183.226 2.368 10 0 AEAERN C[C@@H]1C[C@@H]1[C@H](O)c1ccsc1 83807836 573651216 /nfs/dbraw/zinc/65/12/16/573651216.db2.gz FXIXBVRIGKLTMO-BWVDBABLSA-N 0 0 168.261 2.438 10 0 AEAERN Cc1cc(=O)c(C(F)F)c(C)[nH]1 238466222 573651222 /nfs/dbraw/zinc/65/12/22/573651222.db2.gz KPBCVFJTRVPZBG-UHFFFAOYSA-N 0 0 173.162 2.342 10 0 AEAERN CC(C)C[C@@H](O)[C@H]1C[C@@H]1C 83807884 573651246 /nfs/dbraw/zinc/65/12/46/573651246.db2.gz DKDBHQOMDCXABZ-XHNCKOQMSA-N 0 0 142.242 2.049 10 0 AEAERN CCc1nc([C@@H]2C[C@H]2C)nc(N)c1C 83810170 573651402 /nfs/dbraw/zinc/65/14/02/573651402.db2.gz CXFBJLCLXJQOCU-HTRCEHHLSA-N 0 0 191.278 2.053 10 0 AEAERN Cc1c(Cl)ccc2c1CCOC2=O 238466069 573652715 /nfs/dbraw/zinc/65/27/15/573652715.db2.gz JOCCZHXNAZYJGI-UHFFFAOYSA-N 0 0 196.633 2.361 10 0 AEAERN Cn1nc(N)cc1C1CCCCCC1 257845771 573652838 /nfs/dbraw/zinc/65/28/38/573652838.db2.gz NOLMHZBTOLAILQ-UHFFFAOYSA-N 0 0 193.294 2.440 10 0 AEAERN Cc1nc(C=O)oc1C(C)(C)C 258508606 573652843 /nfs/dbraw/zinc/65/28/43/573652843.db2.gz LBXZZOHTTIXGTC-UHFFFAOYSA-N 0 0 167.208 2.093 10 0 AEAERN Cn1cc(N[C@@H]2CCCC2(C)C)cn1 86856266 573652849 /nfs/dbraw/zinc/65/28/49/573652849.db2.gz BVRJOLMKVYOGIJ-SNVBAGLBSA-N 0 0 193.294 2.411 10 0 AEAERN CSc1cccc(O)c1C(C)=O 258080673 573652276 /nfs/dbraw/zinc/65/22/76/573652276.db2.gz NBOOPWRKHOOKGH-UHFFFAOYSA-N 0 0 182.244 2.317 10 0 AEAERN Cc1ccccc1C=C=CCO 238465846 573652303 /nfs/dbraw/zinc/65/23/03/573652303.db2.gz IVWUNOQQVYFEID-UHFFFAOYSA-N 0 0 160.216 2.156 10 0 AEAERN CC1(C)C[C@H](O)CN1c1ccccc1 259543780 573652393 /nfs/dbraw/zinc/65/23/93/573652393.db2.gz WXIVJCOCECVPCQ-NSHDSACASA-N 0 0 191.274 2.036 10 0 AEAERN NOCc1ccc2c(c1)SCCC2 258080709 573652401 /nfs/dbraw/zinc/65/24/01/573652401.db2.gz NEDGCAIFTQUBIA-UHFFFAOYSA-N 0 0 195.287 2.115 10 0 AEAERN C[C@]1(c2ccc(F)cc2)CCC1=O 238466342 573652409 /nfs/dbraw/zinc/65/24/09/573652409.db2.gz KTLPHJRSFCWAIE-LLVKDONJSA-N 0 0 178.206 2.446 10 0 AEAERN C[C@H]1C[C@@]2(C)CCCC=C2NC1=O 238466044 573652443 /nfs/dbraw/zinc/65/24/43/573652443.db2.gz IHCVJGPEEBTINR-GZMMTYOYSA-N 0 0 179.263 2.217 10 0 AEAERN CC(C)(C)C(=O)[C@@H](O)C1CCCC1 258841581 573652448 /nfs/dbraw/zinc/65/24/48/573652448.db2.gz PWHCPSHMFRBSCC-VIFPVBQESA-N 0 0 184.279 2.153 10 0 AEAERN Cc1c(Cl)ccc2c1OCO2 238466560 573652449 /nfs/dbraw/zinc/65/24/49/573652449.db2.gz JQUSUSPTTSBXAP-UHFFFAOYSA-N 0 0 170.595 2.377 10 0 AEAERN CNc1nc(C)c(C2CCC2)o1 259151652 573652452 /nfs/dbraw/zinc/65/24/52/573652452.db2.gz MZZNWSGAXGZCKA-UHFFFAOYSA-N 0 0 166.224 2.292 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86867130 573660941 /nfs/dbraw/zinc/66/09/41/573660941.db2.gz YWNIDROLJDNASW-JTQLQIEISA-N 0 0 154.253 2.338 10 0 AEAERN C[C@H]1C2CCC(CC2)[C@@H]1CO 238472771 573660956 /nfs/dbraw/zinc/66/09/56/573660956.db2.gz GVYASWZISADCNM-AUXWQGHOSA-N 0 0 154.253 2.051 10 0 AEAERN CO[C@@H](C)Cn1c(C)ccc1C 224503491 573661134 /nfs/dbraw/zinc/66/11/34/573661134.db2.gz MAQISKPIOOPJMQ-JTQLQIEISA-N 0 0 167.252 2.140 10 0 AEAERN Cc1c(N)sc2c1C(=O)C[C@@H](C)C2 75628747 573661135 /nfs/dbraw/zinc/66/11/35/573661135.db2.gz JWWXJXSFQPGOMX-RXMQYKEDSA-N 0 0 195.287 2.404 10 0 AEAERN C[C@@H](O)C(F)(F)[C@H]1CCCSC1 257842742 573661227 /nfs/dbraw/zinc/66/12/27/573661227.db2.gz MRAPNYGMZXWGJQ-RQJHMYQMSA-N 0 0 196.262 2.146 10 0 AEAERN CC(C)Nc1n[nH]c2c1CCC2(C)C 86867382 573661231 /nfs/dbraw/zinc/66/12/31/573661231.db2.gz GRGHGAHRBVOZJA-UHFFFAOYSA-N 0 0 193.294 2.454 10 0 AEAERN CC(C)CO[C@@H]1CCC(C)(C)[C@@H]1O 86866591 573661259 /nfs/dbraw/zinc/66/12/59/573661259.db2.gz DKQSPJIXXYCYRQ-NXEZZACHSA-N 0 0 186.295 2.209 10 0 AEAERN NC(=S)c1csc(Cl)c1 144590034 573661321 /nfs/dbraw/zinc/66/13/21/573661321.db2.gz HALQYLIUSQUAAI-UHFFFAOYSA-N 0 0 177.681 2.036 10 0 AEAERN Cc1cc(N)c2[nH]cc(C)c2c1 238472872 573661346 /nfs/dbraw/zinc/66/13/46/573661346.db2.gz GNOABEJMWBPAPB-UHFFFAOYSA-N 0 0 160.220 2.367 10 0 AEAERN CC(C)OC[C@]1(O)CCCC1(C)C 86867018 573661347 /nfs/dbraw/zinc/66/13/47/573661347.db2.gz JVCMPIFADWFMDM-LLVKDONJSA-N 0 0 186.295 2.353 10 0 AEAERN C[C@@H]1C[C@@H]2CCC(=O)[C@@H]2C1 238472466 573661360 /nfs/dbraw/zinc/66/13/60/573661360.db2.gz LMTHRRMEGHYJAJ-GJMOJQLCSA-N 0 0 138.210 2.012 10 0 AEAERN Cc1oc(CO)nc1[C@H]1CCCS1 257842983 573661401 /nfs/dbraw/zinc/66/14/01/573661401.db2.gz CGWCJETVUHTKAD-SSDOTTSWSA-N 0 0 199.275 2.043 10 0 AEAERN Cc1nn(C)c2c(N)ccc(Cl)c12 259544485 573661431 /nfs/dbraw/zinc/66/14/31/573661431.db2.gz SZGQMSDQOLUBSA-UHFFFAOYSA-N 0 0 195.653 2.117 10 0 AEAERN CC(C)(C)O[C@H]1CCC(C)(C)[C@H]1O 86866615 573661459 /nfs/dbraw/zinc/66/14/59/573661459.db2.gz UWIYTFRMQIWPSM-IUCAKERBSA-N 0 0 186.295 2.351 10 0 AEAERN Cc1ccc2c(c1)CC[C@H](CCO)N2 257843250 573661468 /nfs/dbraw/zinc/66/14/68/573661468.db2.gz MVXZKDNAHJMUMW-LLVKDONJSA-N 0 0 191.274 2.104 10 0 AEAERN CC[C@@H](O)c1ccn(CC(F)F)c1 130707614 573661471 /nfs/dbraw/zinc/66/14/71/573661471.db2.gz WSJNMQPZYWOVIR-MRVPVSSYSA-N 0 0 189.205 2.197 10 0 AEAERN C[C@@H]1C(=O)C[C@@H]2[C@@H]3CC=C[C@@H]3C[C@@H]12 238472899 573661555 /nfs/dbraw/zinc/66/15/55/573661555.db2.gz XCMIBSOHQJDQPS-UNQZSWDGSA-N 0 0 176.259 2.424 10 0 AEAERN C[C@@H]1NC(=S)Nc2ccccc21 144611436 573661636 /nfs/dbraw/zinc/66/16/36/573661636.db2.gz QXYHKAMAQIUGGF-LURJTMIESA-N 0 0 178.260 2.048 10 0 AEAERN CC(C)[C@@H](CO)Nc1cccs1 258850156 573661645 /nfs/dbraw/zinc/66/16/45/573661645.db2.gz NPFUPAVULVHOOW-MRVPVSSYSA-N 0 0 185.292 2.177 10 0 AEAERN CCc1cccc2cc(CO)oc12 83819729 573661765 /nfs/dbraw/zinc/66/17/65/573661765.db2.gz BCIRZAUYNUWBEX-UHFFFAOYSA-N 0 0 176.215 2.488 10 0 AEAERN C[C@]12C=C3CC=C[C@H]3C[C@@H]1CC2=O 238471338 573661774 /nfs/dbraw/zinc/66/17/74/573661774.db2.gz XWWGZRQOSJMTAC-XRNSZHNASA-N 0 0 174.243 2.488 10 0 AEAERN Cc1cc(N)c2c(c1)COC(C)(C)O2 238472410 573661782 /nfs/dbraw/zinc/66/17/82/573661782.db2.gz CLLMKVWWTLGKIL-UHFFFAOYSA-N 0 0 193.246 2.222 10 0 AEAERN COc1c(N)ccc2ccc(O)cc12 259545583 573661850 /nfs/dbraw/zinc/66/18/50/573661850.db2.gz CBGDHHBKMBSPAO-UHFFFAOYSA-N 0 0 189.214 2.136 10 0 AEAERN CCNc1n[nH]c2c1CCC2(C)C 86867376 573661875 /nfs/dbraw/zinc/66/18/75/573661875.db2.gz INLSQZVLKGSHGB-UHFFFAOYSA-N 0 0 179.267 2.065 10 0 AEAERN CC(C)CO[C@H]1CCC(C)(C)[C@@H]1O 86866592 573661958 /nfs/dbraw/zinc/66/19/58/573661958.db2.gz DKQSPJIXXYCYRQ-VHSXEESVSA-N 0 0 186.295 2.209 10 0 AEAERN CC(C)=C1CC[C@H](C)[C@@H]1O 238472830 573661995 /nfs/dbraw/zinc/66/19/95/573661995.db2.gz BBZCOIITODPGFG-CBAPKCEASA-N 0 0 140.226 2.114 10 0 AEAERN C[C@@H](O)C(F)(F)[C@@H]1CCCSC1 257842741 573662018 /nfs/dbraw/zinc/66/20/18/573662018.db2.gz MRAPNYGMZXWGJQ-RNFRBKRXSA-N 0 0 196.262 2.146 10 0 AEAERN Cc1ccc(NC(C)(C)CCO)o1 258850392 573662021 /nfs/dbraw/zinc/66/20/21/573662021.db2.gz NSULUHQNAKMQKC-UHFFFAOYSA-N 0 0 183.251 2.161 10 0 AEAERN Nc1cccc(F)c1Nc1cc[nH]c1 258847484 573662042 /nfs/dbraw/zinc/66/20/42/573662042.db2.gz RQFCCLRKDZXLLS-UHFFFAOYSA-N 0 0 191.209 2.480 10 0 AEAERN CC(=O)C(F)(F)C[C@H]1CCCOC1 257842819 573662111 /nfs/dbraw/zinc/66/21/11/573662111.db2.gz MTWYBQBOAZZMIU-MRVPVSSYSA-N 0 0 192.205 2.027 10 0 AEAERN CC1(C)CC[C@@H](OC2CCC2)[C@@H]1O 86866660 573662176 /nfs/dbraw/zinc/66/21/76/573662176.db2.gz BPFVXZCTAHTSKK-ZJUUUORDSA-N 0 0 184.279 2.105 10 0 AEAERN OCc1cc2cccc(F)c2o1 83815346 573662193 /nfs/dbraw/zinc/66/21/93/573662193.db2.gz RXLQJRLRGKBPHB-UHFFFAOYSA-N 0 0 166.151 2.064 10 0 AEAERN CC1=CNC(OC(C)(C)C)=NC=C1 238472211 573662224 /nfs/dbraw/zinc/66/22/24/573662224.db2.gz MHSOAHMLMUBJQH-UHFFFAOYSA-N 0 0 180.251 2.178 10 0 AEAERN C[C@@H](O)c1cccc2c1C[C@@H](C)N2C 258084244 573662558 /nfs/dbraw/zinc/66/25/58/573662558.db2.gz MZXKBBLUJWXGPX-RKDXNWHRSA-N 0 0 191.274 2.121 10 0 AEAERN C[C@H]1C[C@H](O)CC2(CCCCC2)O1 238472678 573662559 /nfs/dbraw/zinc/66/25/59/573662559.db2.gz MGPNIUXGOJNDOO-UWVGGRQHSA-N 0 0 184.279 2.249 10 0 AEAERN CC[C@@]1(O)CCCC1(C)C 86867103 573662261 /nfs/dbraw/zinc/66/22/61/573662261.db2.gz UOHYVPVONIILDS-SECBINFHSA-N 0 0 142.242 2.338 10 0 AEAERN Cc1cccc2c1C[C@@H]([C@H](C)CO)C2 257843222 573662265 /nfs/dbraw/zinc/66/22/65/573662265.db2.gz MVQFNTIDSGADTJ-PWSUYJOCSA-N 0 0 190.286 2.338 10 0 AEAERN CC1(C)CC[C@H](OC2CCC2)[C@H]1O 86866661 573662554 /nfs/dbraw/zinc/66/25/54/573662554.db2.gz BPFVXZCTAHTSKK-VHSXEESVSA-N 0 0 184.279 2.105 10 0 AEAERN Cc1ccc(CO)c2c1C(=O)CCC2 238472563 573662568 /nfs/dbraw/zinc/66/25/68/573662568.db2.gz WAUUXPNDZVAMFC-UHFFFAOYSA-N 0 0 190.242 2.006 10 0 AEAERN OCc1n[nH]cc1C1CCCCCC1 257843860 573664936 /nfs/dbraw/zinc/66/49/36/573664936.db2.gz PISABMNTMZJPRC-UHFFFAOYSA-N 0 0 194.278 2.340 10 0 AEAERN Cc1cccc2c1NCCCO2 83824177 573664994 /nfs/dbraw/zinc/66/49/94/573664994.db2.gz PHYRDZNIPZPLFO-UHFFFAOYSA-N 0 0 163.220 2.189 10 0 AEAERN Cc1ccc2c(c1)NC[C@@H](C)N2 83823796 573664390 /nfs/dbraw/zinc/66/43/90/573664390.db2.gz AEXQAPVYAACTNI-MRVPVSSYSA-N 0 0 162.236 2.221 10 0 AEAERN CC(C)(O)C[C@@H]1Cc2ccccc2N1 257844050 573664391 /nfs/dbraw/zinc/66/43/91/573664391.db2.gz CSEHQCGOHAZDGL-JTQLQIEISA-N 0 0 191.274 2.184 10 0 AEAERN C[C@@H]1NC(=O)N[C@H]1CC1CCCCC1 238476114 573664442 /nfs/dbraw/zinc/66/44/42/573664442.db2.gz GRKHTSOKVDBEHR-WPRPVWTQSA-N 0 0 196.294 2.027 10 0 AEAERN COC(=O)C1(c2sccc2C)CC1 259153135 573664525 /nfs/dbraw/zinc/66/45/25/573664525.db2.gz IFHALXSNFRRAHR-UHFFFAOYSA-N 0 0 196.271 2.261 10 0 AEAERN CCc1ccccc1OC(=O)N(C)C 213460807 573664562 /nfs/dbraw/zinc/66/45/62/573664562.db2.gz AQTVVQWMLSZENH-UHFFFAOYSA-N 0 0 193.246 2.309 10 0 AEAERN CC(C)Cn1nc(N)c2c1CCCC2 257846578 573664572 /nfs/dbraw/zinc/66/45/72/573664572.db2.gz NTMXLYFWOKMZDQ-UHFFFAOYSA-N 0 0 193.294 2.000 10 0 AEAERN C[C@@H]1NC(=O)C[C@]12CCCC2(C)C 86870060 573664578 /nfs/dbraw/zinc/66/45/78/573664578.db2.gz FDHBFOQCGMWLIB-GZMMTYOYSA-N 0 0 181.279 2.091 10 0 AEAERN C[C@H]([NH3+])[C@@]1(CC(=O)[O-])CCCC1(C)C 86870005 573664598 /nfs/dbraw/zinc/66/45/98/573664598.db2.gz DRBFAJOWGREIAE-KWQFWETISA-N 0 0 199.294 2.005 10 0 AEAERN C[C@@H](O)c1cccc2c1OC[C@@H]2C 258084090 573664618 /nfs/dbraw/zinc/66/46/18/573664618.db2.gz MYPUTLWYLYWXHA-JGVFFNPUSA-N 0 0 178.231 2.236 10 0 AEAERN Cc1ccn2c3c(nc2c1)CCC3 107875683 573664653 /nfs/dbraw/zinc/66/46/53/573664653.db2.gz OOCMMCQAXHFJKX-UHFFFAOYSA-N 0 0 172.231 2.131 10 0 AEAERN Cc1cccc2c1N[C@H](C)CO2 83823797 573664728 /nfs/dbraw/zinc/66/47/28/573664728.db2.gz IJKFHRCUSHWKRH-MRVPVSSYSA-N 0 0 163.220 2.188 10 0 AEAERN Cc1ncc(-c2cccc(C=O)c2)cn1 257844696 573664729 /nfs/dbraw/zinc/66/47/29/573664729.db2.gz LGLXMECPHFIYRJ-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN CCC1(C2CCC(=O)CC2)COC1 258509896 573664776 /nfs/dbraw/zinc/66/47/76/573664776.db2.gz FXORTANWJGUDET-UHFFFAOYSA-N 0 0 182.263 2.172 10 0 AEAERN C[C@H](O)[C@@H]1CCCC1(C)C 86869431 573664806 /nfs/dbraw/zinc/66/48/06/573664806.db2.gz VFGAYOZSNWKMEB-YUMQZZPRSA-N 0 0 142.242 2.194 10 0 AEAERN Cc1ccc2c(c1)N[C@H](C)CC(=O)N2 83823486 573664815 /nfs/dbraw/zinc/66/48/15/573664815.db2.gz OGKRSLIKGOTZBJ-MRVPVSSYSA-N 0 0 190.246 2.138 10 0 AEAERN C[C@H](O)[C@@H]1CCOCc2ccccc21 238474953 573665088 /nfs/dbraw/zinc/66/50/88/573665088.db2.gz DLABZNXPKAKREH-ONGXEEELSA-N 0 0 192.258 2.071 10 0 AEAERN CC1(C)CCC[C@]12C[C@H](O)CCO2 86869274 573665906 /nfs/dbraw/zinc/66/59/06/573665906.db2.gz OBBUORBSNTYLQZ-KOLCDFICSA-N 0 0 184.279 2.107 10 0 AEAERN FC(F)(F)Oc1nccc(Cl)n1 144512315 573666971 /nfs/dbraw/zinc/66/69/71/573666971.db2.gz FWGNOSGINDVSLM-UHFFFAOYSA-N 0 0 198.531 2.029 10 0 AEAERN Cn1c2ccccc2c2ccnc(N)c21 257844356 573665796 /nfs/dbraw/zinc/66/57/96/573665796.db2.gz CQRCQZFYBNBOCR-UHFFFAOYSA-N 0 0 197.241 2.309 10 0 AEAERN Cc1ccn2c(C)c(C)nc2c1 107875669 573665799 /nfs/dbraw/zinc/66/57/99/573665799.db2.gz RAWGAKUTVXPVOX-UHFFFAOYSA-N 0 0 160.220 2.260 10 0 AEAERN C[C@]1(CCCO)C[C@@]1(F)Cl 238475288 573665846 /nfs/dbraw/zinc/66/58/46/573665846.db2.gz BQKGHPGCDHQXKX-BQBZGAKWSA-N 0 0 166.623 2.074 10 0 AEAERN NC1=NO[C@H](c2ccc(Cl)cc2)C1 257844487 573665886 /nfs/dbraw/zinc/66/58/86/573665886.db2.gz NHKPCPIEMGXKSE-QMMMGPOBSA-N 0 0 196.637 2.074 10 0 AEAERN CCc1sc(=O)[nH]c1C(F)(F)F 257846614 573665943 /nfs/dbraw/zinc/66/59/43/573665943.db2.gz NUDCSIOBGXTOOK-UHFFFAOYSA-N 0 0 197.181 2.430 10 0 AEAERN Cc1ccc(-c2c[nH][nH]c2=O)c(C)c1 258856716 573665993 /nfs/dbraw/zinc/66/59/93/573665993.db2.gz QZCSPBDQUQDHFW-UHFFFAOYSA-N 0 0 188.230 2.399 10 0 AEAERN Cc1ccc([C@](C)(F)CO)c(C)c1 257843789 573666033 /nfs/dbraw/zinc/66/60/33/573666033.db2.gz PEWDZUXRVUGIBF-LLVKDONJSA-N 0 0 182.238 2.480 10 0 AEAERN OC1CCC([C@@H]2CCC[C@@H](O)C2)CC1 144505639 573666044 /nfs/dbraw/zinc/66/60/44/573666044.db2.gz GKPZLXFIUKZBIZ-RUJICJSRSA-N 0 0 198.306 2.089 10 0 AEAERN CC(C)(O)C[C@H]1Cc2ccccc2N1 257844052 573666053 /nfs/dbraw/zinc/66/60/53/573666053.db2.gz CSEHQCGOHAZDGL-SNVBAGLBSA-N 0 0 191.274 2.184 10 0 AEAERN C=C=C1CCCC[C@H]1[C@H](C)O 238474469 573666103 /nfs/dbraw/zinc/66/61/03/573666103.db2.gz UXFZQKUCWQVCGC-WPRPVWTQSA-N 0 0 152.237 2.269 10 0 AEAERN COc1cc(OC)c(C)c(O)c1C 144564747 573666260 /nfs/dbraw/zinc/66/62/60/573666260.db2.gz WNHNUNRTAOYXKF-UHFFFAOYSA-N 0 0 182.219 2.026 10 0 AEAERN C[C@]1(C2CCCCC2)CCOC(=O)N1 257844431 573666264 /nfs/dbraw/zinc/66/62/64/573666264.db2.gz NEUBSPATJHUGQI-LLVKDONJSA-N 0 0 197.278 2.455 10 0 AEAERN Cc1ccnc2c(O)cc(F)cc12 238475359 573666293 /nfs/dbraw/zinc/66/62/93/573666293.db2.gz GPXSMWXSSQJANC-UHFFFAOYSA-N 0 0 177.178 2.388 10 0 AEAERN C[C@H]1CCC(=O)N[C@@H](C(C)(C)C)C1 238475157 573666309 /nfs/dbraw/zinc/66/63/09/573666309.db2.gz XKPNGGBPPAKXQQ-DTWKUNHWSA-N 0 0 183.295 2.337 10 0 AEAERN Cc1c[nH]c(=S)n1C(C)C 83823785 573666394 /nfs/dbraw/zinc/66/63/94/573666394.db2.gz ZQNAUPBOFLRVQD-UHFFFAOYSA-N 0 0 156.254 2.435 10 0 AEAERN Cc1cc(=O)cc(C(F)F)[nH]1 238476406 573666439 /nfs/dbraw/zinc/66/64/39/573666439.db2.gz WENLHVSJOCPCNR-UHFFFAOYSA-N 0 0 159.135 2.033 10 0 AEAERN C[C@]1(CCCO)C[C@]1(F)Cl 238475304 573666482 /nfs/dbraw/zinc/66/64/82/573666482.db2.gz BQKGHPGCDHQXKX-NKWVEPMBSA-N 0 0 166.623 2.074 10 0 AEAERN C[C@@H](O)C(F)(F)c1ccccc1F 257844489 573666500 /nfs/dbraw/zinc/66/65/00/573666500.db2.gz NHKQGIXIYBNDEB-ZCFIWIBFSA-N 0 0 190.164 2.298 10 0 AEAERN Cc1c(Cl)ccn2nccc12 238474351 573666593 /nfs/dbraw/zinc/66/65/93/573666593.db2.gz YCJXXHVPEBHHHL-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN COCCc1cccc(CC(C)=O)c1 259545341 573666600 /nfs/dbraw/zinc/66/66/00/573666600.db2.gz VKZXVQCXPRHXKO-UHFFFAOYSA-N 0 0 192.258 2.007 10 0 AEAERN CC(C)(O)c1ccc2[nH]ccc2c1O 258075741 573666608 /nfs/dbraw/zinc/66/66/08/573666608.db2.gz MSQSMVICSRYCRX-UHFFFAOYSA-N 0 0 191.230 2.101 10 0 AEAERN CC1(C)OC(C)(C)c2sc(N)nc21 83824526 573666620 /nfs/dbraw/zinc/66/66/20/573666620.db2.gz BZHDVAIQBRNWHH-UHFFFAOYSA-N 0 0 198.291 2.226 10 0 AEAERN Cc1nn(-c2nccs2)c(C)c1C 107892887 573666645 /nfs/dbraw/zinc/66/66/45/573666645.db2.gz IOHUVWSHMFFCMR-UHFFFAOYSA-N 0 0 193.275 2.254 10 0 AEAERN C[C@H](O)[C@H]1CCCC1(C)C 86869435 573666697 /nfs/dbraw/zinc/66/66/97/573666697.db2.gz VFGAYOZSNWKMEB-JGVFFNPUSA-N 0 0 142.242 2.194 10 0 AEAERN CC1OC(=O)N=C1c1ccc(F)cc1 257843925 573666722 /nfs/dbraw/zinc/66/67/22/573666722.db2.gz NAVMGOVEVHGRIT-UHFFFAOYSA-N 0 0 193.177 2.495 10 0 AEAERN Cc1c(N)n(C)c2ccccc12 107863908 573667015 /nfs/dbraw/zinc/66/70/15/573667015.db2.gz WZOLWRDMIGNLTK-UHFFFAOYSA-N 0 0 160.220 2.069 10 0 AEAERN CC(=O)[C@H]1CCCC1(C)C 86869222 573667739 /nfs/dbraw/zinc/66/77/39/573667739.db2.gz COQNBWSAGJABEB-MRVPVSSYSA-N 0 0 140.226 2.402 10 0 AEAERN C[C@H]1SCC[C@@]1(O)C1CCC1 235632732 573672502 /nfs/dbraw/zinc/67/25/02/573672502.db2.gz NRWPFUPSCBKZDI-APPZFPTMSA-N 0 0 172.293 2.043 10 0 AEAERN CC/C(C)=C/CCCO 107929552 573672680 /nfs/dbraw/zinc/67/26/80/573672680.db2.gz RYAOAJVCBKQVPV-SOFGYWHQSA-N 0 0 128.215 2.115 10 0 AEAERN OCc1c(Cl)ccc(Cl)c1O 144647032 573675362 /nfs/dbraw/zinc/67/53/62/573675362.db2.gz IECUTFDDYKWSIM-UHFFFAOYSA-N 0 0 193.029 2.191 10 0 AEAERN C=C=C1CCCC[C@@H]1[C@@H](C)O 238467735 573677647 /nfs/dbraw/zinc/67/76/47/573677647.db2.gz UXFZQKUCWQVCGC-PSASIEDQSA-N 0 0 152.237 2.269 10 0 AEAERN C[C@@H]1NC(=O)N[C@@H]1CC1CCCCC1 238475781 573672403 /nfs/dbraw/zinc/67/24/03/573672403.db2.gz GRKHTSOKVDBEHR-WCBMZHEXSA-N 0 0 196.294 2.027 10 0 AEAERN CSc1nc2ccc(C=O)cc2o1 144669657 573672425 /nfs/dbraw/zinc/67/24/25/573672425.db2.gz RLCWFZOXPSPNJL-UHFFFAOYSA-N 0 0 193.227 2.362 10 0 AEAERN COc1cc(F)cc(C2(O)CC2)c1C 258075716 573669308 /nfs/dbraw/zinc/66/93/08/573669308.db2.gz MRGKLEUFCLZSPH-UHFFFAOYSA-N 0 0 196.221 2.124 10 0 AEAERN O[C@H]1CCCCNc2ccccc21 144549223 573669350 /nfs/dbraw/zinc/66/93/50/573669350.db2.gz UJRXFQYZDMHVTQ-NSHDSACASA-N 0 0 177.247 2.316 10 0 AEAERN Cc1ccc2c(c1[C@H](C)CO)CCO2 258075735 573669389 /nfs/dbraw/zinc/66/93/89/573669389.db2.gz MSNGBZZIFUXQCM-SECBINFHSA-N 0 0 192.258 2.026 10 0 AEAERN CCCNC(=O)[C@@H](C)C1=CCCC1 308411709 573669391 /nfs/dbraw/zinc/66/93/91/573669391.db2.gz LVCXTFQICWVIRJ-VIFPVBQESA-N 0 0 181.279 2.259 10 0 AEAERN CCc1cccc([C@H](O)CC)c1N 144504913 573669399 /nfs/dbraw/zinc/66/93/99/573669399.db2.gz NULHONSVKXCMJZ-SNVBAGLBSA-N 0 0 179.263 2.275 10 0 AEAERN CC1=C2NC(=O)[C@@H](C)C[C@H]2CCC1 238475549 573669419 /nfs/dbraw/zinc/66/94/19/573669419.db2.gz OJFMEWDQCFSWJN-DTWKUNHWSA-N 0 0 179.263 2.217 10 0 AEAERN CCCCC(=O)[C@H](CO)CCC 214930522 573669482 /nfs/dbraw/zinc/66/94/82/573669482.db2.gz FCUHOKHZPGRPRT-VIFPVBQESA-N 0 0 172.268 2.154 10 0 AEAERN CN(c1ccc[nH]1)c1ccccc1N 258854559 573669510 /nfs/dbraw/zinc/66/95/10/573669510.db2.gz SGYHWYLKQBFTHY-UHFFFAOYSA-N 0 0 187.246 2.365 10 0 AEAERN O[C@@H]1CCCCNc2ccccc21 144549015 573669536 /nfs/dbraw/zinc/66/95/36/573669536.db2.gz UJRXFQYZDMHVTQ-LLVKDONJSA-N 0 0 177.247 2.316 10 0 AEAERN C[C@@H]1Cc2cc([C@@H](C)CO)ccc2O1 258075746 573669588 /nfs/dbraw/zinc/66/95/88/573669588.db2.gz MSSIFFPEYZXQCU-DTWKUNHWSA-N 0 0 192.258 2.106 10 0 AEAERN C[C@@H]1c2ccn(C)c2C(=O)C[C@H]1C 238475753 573669611 /nfs/dbraw/zinc/66/96/11/573669611.db2.gz SAYWCDRKLUQWPH-SFYZADRCSA-N 0 0 177.247 2.351 10 0 AEAERN Cc1cccc([C@H]2CCNC(=O)O2)c1 257846666 573673184 /nfs/dbraw/zinc/67/31/84/573673184.db2.gz NVERTSDFRTWIRJ-SNVBAGLBSA-N 0 0 191.230 2.166 10 0 AEAERN Cc1ccnc(C(F)F)c1C=O 238466957 573669786 /nfs/dbraw/zinc/66/97/86/573669786.db2.gz VXYLHBHXMZZIEM-UHFFFAOYSA-N 0 0 171.146 2.140 10 0 AEAERN CC(F)(F)c1ccccc1CNO 258075697 573669816 /nfs/dbraw/zinc/66/98/16/573669816.db2.gz MQICDQTZDQHBGW-UHFFFAOYSA-N 0 0 187.189 2.277 10 0 AEAERN C[C@@H]1CC(=O)c2c(ccn2C)[C@@H]1C 238475736 573669846 /nfs/dbraw/zinc/66/98/46/573669846.db2.gz SAYWCDRKLUQWPH-HTQZYQBOSA-N 0 0 177.247 2.351 10 0 AEAERN Cc1cccn2c3c(nc12)CCC3 107875810 573669849 /nfs/dbraw/zinc/66/98/49/573669849.db2.gz UGDITDXJEVAYIH-UHFFFAOYSA-N 0 0 172.231 2.131 10 0 AEAERN Cc1cn(C)c(-c2cccc(O)c2)n1 107852801 573669892 /nfs/dbraw/zinc/66/98/92/573669892.db2.gz FPBMLZDZXFFLMP-UHFFFAOYSA-N 0 0 188.230 2.101 10 0 AEAERN C[C@H]1NC(=O)N[C@H]1CC1CCCCC1 238467059 573669905 /nfs/dbraw/zinc/66/99/05/573669905.db2.gz GRKHTSOKVDBEHR-SCZZXKLOSA-N 0 0 196.294 2.027 10 0 AEAERN C[C@H]1CC/C=C/CCC1=O 238467025 573669909 /nfs/dbraw/zinc/66/99/09/573669909.db2.gz XEWMANJZOMVVQA-SGJFDWMWSA-N 0 0 138.210 2.322 10 0 AEAERN Cc1ccc([C@@H](N)C(F)F)c(F)c1 238476014 573669931 /nfs/dbraw/zinc/66/99/31/573669931.db2.gz TYPMLSUXLXUNIE-MRVPVSSYSA-N 0 0 189.180 2.399 10 0 AEAERN C[C@H]1Cc2cc([C@H](C)CO)ccc2O1 258075744 573669965 /nfs/dbraw/zinc/66/99/65/573669965.db2.gz MSSIFFPEYZXQCU-BDAKNGLRSA-N 0 0 192.258 2.106 10 0 AEAERN OCc1cnoc1-c1ccc(Cl)o1 258413652 573670034 /nfs/dbraw/zinc/67/00/34/573670034.db2.gz DISBPFIMHXMINV-UHFFFAOYSA-N 0 0 199.593 2.080 10 0 AEAERN COC(C)(C)c1ccccc1CCO 259550206 573670045 /nfs/dbraw/zinc/67/00/45/573670045.db2.gz VTMGNLYYJFESKU-UHFFFAOYSA-N 0 0 194.274 2.103 10 0 AEAERN COc1c(O)cc([C@H](C)O)c(C)c1C 258075696 573670047 /nfs/dbraw/zinc/67/00/47/573670047.db2.gz MQIAPYDTQKLZDB-QMMMGPOBSA-N 0 0 196.246 2.071 10 0 AEAERN C[C@]1(c2cccc(F)c2)CC[C@H]1O 238467156 573670067 /nfs/dbraw/zinc/67/00/67/573670067.db2.gz QPHCXEKETABYGF-GHMZBOCLSA-N 0 0 180.222 2.238 10 0 AEAERN Cc1n[nH]c(C)c1OC1CCCC1 238468575 573674378 /nfs/dbraw/zinc/67/43/78/573674378.db2.gz QNMBVJOXVNBVSF-UHFFFAOYSA-N 0 0 180.251 2.348 10 0 AEAERN C[C@]1(c2cccc(F)c2)CC[C@@H]1O 238467122 573670137 /nfs/dbraw/zinc/67/01/37/573670137.db2.gz QPHCXEKETABYGF-WDEREUQCSA-N 0 0 180.222 2.238 10 0 AEAERN Cc1cc(CCC=O)c(C=O)cc1F 258075756 573670260 /nfs/dbraw/zinc/67/02/60/573670260.db2.gz MSVSIIPPODUGNC-UHFFFAOYSA-N 0 0 194.205 2.078 10 0 AEAERN CC[C@@H](C)ONC(=O)CC(C)(C)C 308412327 573670297 /nfs/dbraw/zinc/67/02/97/573670297.db2.gz MAZCUHSCUXLHKI-MRVPVSSYSA-N 0 0 187.283 2.269 10 0 AEAERN Cc1ccnc(C(F)F)c1O 238467281 573670314 /nfs/dbraw/zinc/67/03/14/573670314.db2.gz CZGNMZFNFQNHFT-UHFFFAOYSA-N 0 0 159.135 2.033 10 0 AEAERN C[C@@H]1C[C@@H]2CNc3ccccc3N2C1 238467229 573670323 /nfs/dbraw/zinc/67/03/23/573670323.db2.gz IHVABRGDXZXVSG-NXEZZACHSA-N 0 0 188.274 2.327 10 0 AEAERN CCSCC(=O)Cc1ccoc1 130624553 573670351 /nfs/dbraw/zinc/67/03/51/573670351.db2.gz OULRXTBKAMXRBO-UHFFFAOYSA-N 0 0 184.260 2.144 10 0 AEAERN CC[C@H](C)ONC(=O)CC(C)(C)C 308412328 573670380 /nfs/dbraw/zinc/67/03/80/573670380.db2.gz MAZCUHSCUXLHKI-QMMMGPOBSA-N 0 0 187.283 2.269 10 0 AEAERN CC1(C)CCC[C@@H]1n1cncc1C=O 86878382 573670422 /nfs/dbraw/zinc/67/04/22/573670422.db2.gz QIHZMBGAGGWZRG-JTQLQIEISA-N 0 0 192.262 2.447 10 0 AEAERN CNc1c(Cl)ccc2nsnc12 83833194 573670470 /nfs/dbraw/zinc/67/04/70/573670470.db2.gz YCVAUCIQIJIQKJ-UHFFFAOYSA-N 0 0 199.666 2.386 10 0 AEAERN Cc1c[nH]c2c1C(=O)C[C@@H](C)C2 238475543 573670481 /nfs/dbraw/zinc/67/04/81/573670481.db2.gz AGFICYFLLHFPSA-LURJTMIESA-N 0 0 163.220 2.088 10 0 AEAERN Cc1cc(N)c(O)c2ccccc12 144672656 573670483 /nfs/dbraw/zinc/67/04/83/573670483.db2.gz APVFQUYJXZZQRW-UHFFFAOYSA-N 0 0 173.215 2.436 10 0 AEAERN CC[C@H](N)c1nc(CCC(C)C)no1 43373752 573670493 /nfs/dbraw/zinc/67/04/93/573670493.db2.gz OOXHSOIPEITBQI-QMMMGPOBSA-N 0 0 197.282 2.068 10 0 AEAERN Cc1ccc(CSC(N)=S)cc1 238475422 573670546 /nfs/dbraw/zinc/67/05/46/573670546.db2.gz IZLMOWGWYASTLA-UHFFFAOYSA-N 0 0 197.328 2.472 10 0 AEAERN Cc1ccc([C@H](C)CO)c(N(C)C)c1 259550295 573670732 /nfs/dbraw/zinc/67/07/32/573670732.db2.gz VUGGNUJYDWTKJF-SNVBAGLBSA-N 0 0 193.290 2.157 10 0 AEAERN Cc1ccc(C)c(C=C2C[NH2+]C2)c1 86881841 573670771 /nfs/dbraw/zinc/67/07/71/573670771.db2.gz KZYSWNOBRQFHFM-UHFFFAOYSA-N 0 0 173.259 2.290 10 0 AEAERN CCCCOC(=O)CCC(=O)C1CC1 43369123 573670783 /nfs/dbraw/zinc/67/07/83/573670783.db2.gz NLQCGCLGCLUYNO-UHFFFAOYSA-N 0 0 198.262 2.089 10 0 AEAERN C[C@H]1CC[C@@H](C(C)(C)CO)C1 238476035 573670855 /nfs/dbraw/zinc/67/08/55/573670855.db2.gz MQBUWKPXMQZLET-DTWKUNHWSA-N 0 0 156.269 2.441 10 0 AEAERN C[C@@H]1C[C@]12CCCCC2=O 238467323 573670859 /nfs/dbraw/zinc/67/08/59/573670859.db2.gz HJWVPDLURDCESB-VXNVDRBHSA-N 0 0 138.210 2.156 10 0 AEAERN CC1=CC[C@H]([C@@H](C)O)[C@@H](C)C1 238467027 573670869 /nfs/dbraw/zinc/67/08/69/573670869.db2.gz IOQUIHOWMJVSBJ-AEJSXWLSSA-N 0 0 154.253 2.360 10 0 AEAERN CC1(C)CCC[C@@H]1n1cncc1C[NH3+] 86878398 573670886 /nfs/dbraw/zinc/67/08/86/573670886.db2.gz FFFLUIKFECBBRN-JTQLQIEISA-N 0 0 193.294 2.093 10 0 AEAERN CN(CC(C)(C)CO)c1cccs1 258874056 573670908 /nfs/dbraw/zinc/67/09/08/573670908.db2.gz PMOJOKGANXNJGS-UHFFFAOYSA-N 0 0 199.319 2.203 10 0 AEAERN CC[C@H](C)ONC(=O)CC1(C)CC1 308412277 573671112 /nfs/dbraw/zinc/67/11/12/573671112.db2.gz LYLIZBLOLGQJBG-QMMMGPOBSA-N 0 0 185.267 2.023 10 0 AEAERN C[C@H]1CCC(=O)[C@@H]2CC[C@]12C 238476322 573671207 /nfs/dbraw/zinc/67/12/07/573671207.db2.gz AQRABYRDRFFHED-OYNCUSHFSA-N 0 0 152.237 2.402 10 0 AEAERN CC1(C)CCCc2ccc(CO)nc21 144686900 573671228 /nfs/dbraw/zinc/67/12/28/573671228.db2.gz FHEAIEGSNIMFQQ-UHFFFAOYSA-N 0 0 191.274 2.188 10 0 AEAERN CO[C@H](C)CCc1ccc(C=O)cc1 259546850 573671238 /nfs/dbraw/zinc/67/12/38/573671238.db2.gz TYBUIIFFDNQNHT-SNVBAGLBSA-N 0 0 192.258 2.467 10 0 AEAERN CCc1ccsc1[C@@H](NN)C(C)C 126759150 573671241 /nfs/dbraw/zinc/67/12/41/573671241.db2.gz BVSGWKADISXRAX-VIFPVBQESA-N 0 0 198.335 2.471 10 0 AEAERN COCc1nc2ccc(N)cc2s1 83824888 573671300 /nfs/dbraw/zinc/67/13/00/573671300.db2.gz AQKMFJGFQHPVHL-UHFFFAOYSA-N 0 0 194.259 2.025 10 0 AEAERN C[C@@H]1CC(=O)c2c(O)cccc2C1 238475691 573671305 /nfs/dbraw/zinc/67/13/05/573671305.db2.gz ZTQOIDSGZDUGJX-ZETCQYMHSA-N 0 0 176.215 2.157 10 0 AEAERN Cc1[nH]c2c(C)cc(O)cc2c1C=O 257846668 573671682 /nfs/dbraw/zinc/67/16/82/573671682.db2.gz NVFBCNVDKWMWKU-UHFFFAOYSA-N 0 0 189.214 2.303 10 0 AEAERN O[C@H](Cc1ccoc1)CC(F)(F)F 130724748 573671375 /nfs/dbraw/zinc/67/13/75/573671375.db2.gz YPDVPPLTGQOBBR-SSDOTTSWSA-N 0 0 194.152 2.135 10 0 AEAERN CCCOC(=O)CCC(=O)CCC 43369199 573671388 /nfs/dbraw/zinc/67/13/88/573671388.db2.gz HHOZZZSDDHBMPX-UHFFFAOYSA-N 0 0 186.251 2.089 10 0 AEAERN Cc1ccc(N)c(C)c1N1CCCC1 83824829 573671398 /nfs/dbraw/zinc/67/13/98/573671398.db2.gz ROMZTDPXNDCSDU-UHFFFAOYSA-N 0 0 190.290 2.486 10 0 AEAERN C[C@@]12C(=O)CC[C@@]13C=CC=C[C@H]32 238475761 573671399 /nfs/dbraw/zinc/67/13/99/573671399.db2.gz AWTCDWXMVYUFKP-JMJZKYOTSA-N 0 0 160.216 2.098 10 0 AEAERN CCc1nccn1-c1cccc(N)c1 83825431 573671420 /nfs/dbraw/zinc/67/14/20/573671420.db2.gz CLDQAEPRLSAVHZ-UHFFFAOYSA-N 0 0 187.246 2.017 10 0 AEAERN Cc1cc2c(cc1O)C(=O)C[C@@H](C)O2 238476029 573671449 /nfs/dbraw/zinc/67/14/49/573671449.db2.gz BPXLJBCHDHYHHP-SSDOTTSWSA-N 0 0 192.214 2.054 10 0 AEAERN Cc1ccc([C@H](C)[C@@H](C)C(N)=O)cc1 238476268 573671455 /nfs/dbraw/zinc/67/14/55/573671455.db2.gz NYONJUOLFBURKI-NXEZZACHSA-N 0 0 191.274 2.220 10 0 AEAERN C[C@H]1SCC[C@@]1(O)CC1CC1 235632933 573671470 /nfs/dbraw/zinc/67/14/70/573671470.db2.gz SWGJSGMEJNVQLO-VXNVDRBHSA-N 0 0 172.293 2.043 10 0 AEAERN CCSCC(=O)Cc1ccco1 130624750 573671507 /nfs/dbraw/zinc/67/15/07/573671507.db2.gz CEOQNOSIEYXFEU-UHFFFAOYSA-N 0 0 184.260 2.144 10 0 AEAERN FC(F)(F)[C@@H]1C[C@H]2CCCC[C@@H]2N1 144627057 573671534 /nfs/dbraw/zinc/67/15/34/573671534.db2.gz JRHHMYBOXCSCDE-CSMHCCOUSA-N 0 0 193.212 2.469 10 0 AEAERN Nc1cc([C@H]2CCOC2)ccc1Cl 257845807 573671571 /nfs/dbraw/zinc/67/15/71/573671571.db2.gz NPCREEWMEDAQBQ-QMMMGPOBSA-N 0 0 197.665 2.426 10 0 AEAERN CSc1cc(C)c(O)cc1C=O 258078387 573671578 /nfs/dbraw/zinc/67/15/78/573671578.db2.gz VHIXAOUZIOOVTF-UHFFFAOYSA-N 0 0 182.244 2.235 10 0 AEAERN CCCCCC=C1C[NH2+]C1 86881820 573671583 /nfs/dbraw/zinc/67/15/83/573671583.db2.gz PGYNILCWYNOPRQ-UHFFFAOYSA-N 0 0 139.242 2.096 10 0 AEAERN C[C@H]1CCC(=O)c2ccn(C)c21 144653447 573671663 /nfs/dbraw/zinc/67/16/63/573671663.db2.gz MCTWBQRDJSSTLI-ZETCQYMHSA-N 0 0 163.220 2.105 10 0 AEAERN CC1(C)CCCC[C@@H]1N1CCC(=O)C1 86875413 573671683 /nfs/dbraw/zinc/67/16/83/573671683.db2.gz ALJLGVUKZBCPIH-NSHDSACASA-N 0 0 195.306 2.230 10 0 AEAERN CCc1ccc([C@H](NN)C(C)C)s1 126755632 573671684 /nfs/dbraw/zinc/67/16/84/573671684.db2.gz SZCRYAKBFQXJSG-SNVBAGLBSA-N 0 0 198.335 2.471 10 0 AEAERN CCCNc1cc(Cl)ncc1C=O 257846838 573671757 /nfs/dbraw/zinc/67/17/57/573671757.db2.gz DBRSPYOBSJQGNM-UHFFFAOYSA-N 0 0 198.653 2.369 10 0 AEAERN C[C@H](F)c1ccc(CCO)cc1 258078362 573671760 /nfs/dbraw/zinc/67/17/60/573671760.db2.gz VGRZCDICBCJEKF-QMMMGPOBSA-N 0 0 168.211 2.252 10 0 AEAERN Nc1cc([C@@H]2CCOC2)ccc1Cl 257845805 573671769 /nfs/dbraw/zinc/67/17/69/573671769.db2.gz NPCREEWMEDAQBQ-MRVPVSSYSA-N 0 0 197.665 2.426 10 0 AEAERN Cc1ccc([C@@H](C)CO)c(N(C)C)c1 259550291 573671815 /nfs/dbraw/zinc/67/18/15/573671815.db2.gz VUGGNUJYDWTKJF-JTQLQIEISA-N 0 0 193.290 2.157 10 0 AEAERN Cn1nc2ccc(O)cc2c1C1CC1 257846671 573671839 /nfs/dbraw/zinc/67/18/39/573671839.db2.gz NVJYIPGXVXIQIJ-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN CCc1ccc([C@@H](NN)C(C)C)s1 126755841 573671858 /nfs/dbraw/zinc/67/18/58/573671858.db2.gz SZCRYAKBFQXJSG-JTQLQIEISA-N 0 0 198.335 2.471 10 0 AEAERN OC1(Cc2cccc3cc[nH]c23)CC1 258078154 573671885 /nfs/dbraw/zinc/67/18/85/573671885.db2.gz MUYONJAMGQYBAA-UHFFFAOYSA-N 0 0 187.242 2.235 10 0 AEAERN C[C@]1(c2cccc(F)c2)CCC1=O 238467073 573671896 /nfs/dbraw/zinc/67/18/96/573671896.db2.gz KMVZFEPBCUDZRL-LLVKDONJSA-N 0 0 178.206 2.446 10 0 AEAERN CSc1ccc([C@H](C)O)c(O)c1 258078169 573673870 /nfs/dbraw/zinc/67/38/70/573673870.db2.gz MWCMMPUUTRNCQJ-LURJTMIESA-N 0 0 184.260 2.167 10 0 AEAERN C[C@]1(c2ccc(N)cc2)CCCO1 144648019 573671929 /nfs/dbraw/zinc/67/19/29/573671929.db2.gz VLSOITFUTYMIGO-LLVKDONJSA-N 0 0 177.247 2.294 10 0 AEAERN O=Cc1cnn(C2CCCC2)c1Cl 258078932 573671979 /nfs/dbraw/zinc/67/19/79/573671979.db2.gz MBOSQQZUJITQSJ-UHFFFAOYSA-N 0 0 198.653 2.464 10 0 AEAERN C[C@@H](O)[C@]1(C)CCCC(C)(C)O1 238475666 573671992 /nfs/dbraw/zinc/67/19/92/573671992.db2.gz ZRGKBQBLSSRYBC-SCZZXKLOSA-N 0 0 172.268 2.105 10 0 AEAERN CC[C@]1(CO)Cc2cccc(C)c2N1 258077907 573672008 /nfs/dbraw/zinc/67/20/08/573672008.db2.gz HIBOVHGCKZAIRY-GFCCVEGCSA-N 0 0 191.274 2.104 10 0 AEAERN CC1(C)CCCC[C@@H]1NC#N 86875275 573672031 /nfs/dbraw/zinc/67/20/31/573672031.db2.gz CZYIRPVBYBSNHS-QMMMGPOBSA-N 0 0 152.241 2.026 10 0 AEAERN CC[C@@](C)(OC)c1nccs1 124853998 573672056 /nfs/dbraw/zinc/67/20/56/573672056.db2.gz SEFOWSHEBFHMEJ-MRVPVSSYSA-N 0 0 171.265 2.415 10 0 AEAERN O[C@H](Cc1ccco1)CC(F)(F)F 130725199 573672077 /nfs/dbraw/zinc/67/20/77/573672077.db2.gz ZSEQPIHXGQTOAI-ZCFIWIBFSA-N 0 0 194.152 2.135 10 0 AEAERN CC[C@@]1(CO)Cc2cccc(C)c2N1 258077908 573672088 /nfs/dbraw/zinc/67/20/88/573672088.db2.gz HIBOVHGCKZAIRY-LBPRGKRZSA-N 0 0 191.274 2.104 10 0 AEAERN CCOCc1c[nH]c2cccc(O)c12 258868744 573672119 /nfs/dbraw/zinc/67/21/19/573672119.db2.gz TVRBUVLFPSDTHU-UHFFFAOYSA-N 0 0 191.230 2.410 10 0 AEAERN CC1(C)CCCC[C@H]1N1CCC(=O)C1 86875416 573672124 /nfs/dbraw/zinc/67/21/24/573672124.db2.gz ALJLGVUKZBCPIH-LLVKDONJSA-N 0 0 195.306 2.230 10 0 AEAERN C[C@@]1(c2ccc(N)cc2)CCCO1 144648235 573672126 /nfs/dbraw/zinc/67/21/26/573672126.db2.gz VLSOITFUTYMIGO-NSHDSACASA-N 0 0 177.247 2.294 10 0 AEAERN C[C@@H](F)c1ccc(CNO)cc1 258078380 573675359 /nfs/dbraw/zinc/67/53/59/573675359.db2.gz VHAWKLYXBMCPSX-SSDOTTSWSA-N 0 0 169.199 2.196 10 0 AEAERN CCCCC(=O)[C@@H](CO)CCC 214930571 573672214 /nfs/dbraw/zinc/67/22/14/573672214.db2.gz FCUHOKHZPGRPRT-SECBINFHSA-N 0 0 172.268 2.154 10 0 AEAERN Cc1cc(O)c(C(F)F)nc1F 238466909 573672217 /nfs/dbraw/zinc/67/22/17/573672217.db2.gz WUHIRZLBCDEXIY-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN CCc1ccc(CNOC)cc1C 258078454 573672227 /nfs/dbraw/zinc/67/22/27/573672227.db2.gz VIRVHYQAZQGKHG-UHFFFAOYSA-N 0 0 179.263 2.208 10 0 AEAERN NOCCc1ccccc1C(F)F 258078171 573672266 /nfs/dbraw/zinc/67/22/66/573672266.db2.gz MWHUYDAABHPBOI-UHFFFAOYSA-N 0 0 187.189 2.057 10 0 AEAERN CO[C@H](C)Cc1ccccc1C(C)=O 259547699 573672267 /nfs/dbraw/zinc/67/22/67/573672267.db2.gz VOJAQMLAUDGQLI-SECBINFHSA-N 0 0 192.258 2.467 10 0 AEAERN CONCc1cc(C)cc(C)c1C 258078571 573675298 /nfs/dbraw/zinc/67/52/98/573675298.db2.gz VKBVVQGQDZTWQN-UHFFFAOYSA-N 0 0 179.263 2.263 10 0 AEAERN COc1c([C@@H](C)O)cc(C)c(C)c1O 258078222 573672397 /nfs/dbraw/zinc/67/23/97/573672397.db2.gz MYOTTXFOAMXLLK-MRVPVSSYSA-N 0 0 196.246 2.071 10 0 AEAERN O[C@@H](Cc1ccco1)CC(F)(F)F 130724962 573672435 /nfs/dbraw/zinc/67/24/35/573672435.db2.gz ZSEQPIHXGQTOAI-LURJTMIESA-N 0 0 194.152 2.135 10 0 AEAERN C=C=C(C)[C@H](O)c1ccccc1 144648643 573672454 /nfs/dbraw/zinc/67/24/54/573672454.db2.gz IBVOQRLGWIKFFM-NSHDSACASA-N 0 0 160.216 2.451 10 0 AEAERN CCC1(c2cccc(NC)c2)COC1 258873059 573672472 /nfs/dbraw/zinc/67/24/72/573672472.db2.gz SDEOVJCIAFKCSY-UHFFFAOYSA-N 0 0 191.274 2.406 10 0 AEAERN CSc1ccc([C@@H](C)CO)c(O)c1 258076590 573672474 /nfs/dbraw/zinc/67/24/74/573672474.db2.gz INADOGGPBVZZOR-ZETCQYMHSA-N 0 0 198.287 2.210 10 0 AEAERN Cc1cc2c([nH]1)C[C@H](C)CC2=O 238475808 573672540 /nfs/dbraw/zinc/67/25/40/573672540.db2.gz QKMVWOHFNOLTHU-LURJTMIESA-N 0 0 163.220 2.088 10 0 AEAERN CC[C@](C)(OC)c1nccs1 124853779 573672557 /nfs/dbraw/zinc/67/25/57/573672557.db2.gz SEFOWSHEBFHMEJ-QMMMGPOBSA-N 0 0 171.265 2.415 10 0 AEAERN CO[C@@H](C)CCc1ccc(C=O)cc1 259546848 573675314 /nfs/dbraw/zinc/67/53/14/573675314.db2.gz TYBUIIFFDNQNHT-JTQLQIEISA-N 0 0 192.258 2.467 10 0 AEAERN Nc1ccc(-c2ccccn2)c(F)c1 83826744 573672696 /nfs/dbraw/zinc/67/26/96/573672696.db2.gz SLXLKPRPURRTGV-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN COc1cc([C@@H](C)O)c(F)cc1C 258078189 573672697 /nfs/dbraw/zinc/67/26/97/573672697.db2.gz MXEBAFYFPPUPFX-SSDOTTSWSA-N 0 0 184.210 2.196 10 0 AEAERN COc1c([C@H](C)O)cc(C)c(C)c1O 258078224 573675318 /nfs/dbraw/zinc/67/53/18/573675318.db2.gz MYOTTXFOAMXLLK-QMMMGPOBSA-N 0 0 196.246 2.071 10 0 AEAERN C[C@H]1C[C@H]2CC[C@@H]2CC1=O 238476278 573672752 /nfs/dbraw/zinc/67/27/52/573672752.db2.gz QCJZAFDASYKIIR-XLPZGREQSA-N 0 0 138.210 2.012 10 0 AEAERN CC1(C)CCC[C@H]1n1cncc1C=O 86878385 573672810 /nfs/dbraw/zinc/67/28/10/573672810.db2.gz QIHZMBGAGGWZRG-SNVBAGLBSA-N 0 0 192.262 2.447 10 0 AEAERN CC(=O)c1nc(-c2ccc(C)o2)c[nH]1 259154855 573675321 /nfs/dbraw/zinc/67/53/21/573675321.db2.gz SXWHWJUGMBNZSP-UHFFFAOYSA-N 0 0 190.202 2.181 10 0 AEAERN CC1(C)CCC[C@@H]1Nc1ccncn1 86876076 573672841 /nfs/dbraw/zinc/67/28/41/573672841.db2.gz MRIJSGGRWVAWNI-VIFPVBQESA-N 0 0 191.278 2.467 10 0 AEAERN OCCNc1ccc2sccc2c1 83833301 573672911 /nfs/dbraw/zinc/67/29/11/573672911.db2.gz QCHSCVGZTWSOQP-UHFFFAOYSA-N 0 0 193.271 2.306 10 0 AEAERN CC[C@@H](C)ONC(=O)CC1(C)CC1 308412276 573672943 /nfs/dbraw/zinc/67/29/43/573672943.db2.gz LYLIZBLOLGQJBG-MRVPVSSYSA-N 0 0 185.267 2.023 10 0 AEAERN CC(=O)c1cccc2c1N(C)C[C@H]2C 258077551 573672972 /nfs/dbraw/zinc/67/29/72/573672972.db2.gz MPKPQNQPBKQIBE-MRVPVSSYSA-N 0 0 189.258 2.443 10 0 AEAERN O[C@@H](Cc1ccoc1)CC(F)(F)F 130724536 573673053 /nfs/dbraw/zinc/67/30/53/573673053.db2.gz YPDVPPLTGQOBBR-ZETCQYMHSA-N 0 0 194.152 2.135 10 0 AEAERN C[C@@H]1C[C@@H](Cc2ccccc2)C1=O 238467230 573673076 /nfs/dbraw/zinc/67/30/76/573673076.db2.gz USEFLEMSEFNYKA-KOLCDFICSA-N 0 0 174.243 2.454 10 0 AEAERN C[C@H](O)[C@@H]1C[C@@H](C)C1(C)C 238475463 573673152 /nfs/dbraw/zinc/67/31/52/573673152.db2.gz HNYXVDQKSIHVSQ-CSMHCCOUSA-N 0 0 142.242 2.049 10 0 AEAERN C[C@@H]1C[C@@H]2CC[C@@H]3C[C@]23C1=O 238467124 573673199 /nfs/dbraw/zinc/67/31/99/573673199.db2.gz RITZGEAWZFZSJI-JIOCBJNQSA-N 0 0 150.221 2.012 10 0 AEAERN Cc1[nH]c2c(c1C)C(=O)C[C@@H](C)C2 238475460 573673256 /nfs/dbraw/zinc/67/32/56/573673256.db2.gz IRVJCSXSYNJHTH-LURJTMIESA-N 0 0 177.247 2.397 10 0 AEAERN CCCNC(=O)[C@H](C)C1=CCCC1 308411708 573673632 /nfs/dbraw/zinc/67/36/32/573673632.db2.gz LVCXTFQICWVIRJ-SECBINFHSA-N 0 0 181.279 2.259 10 0 AEAERN C[C@H](CC1CCCCCC1)NC=O 238466919 573673297 /nfs/dbraw/zinc/67/32/97/573673297.db2.gz LOQDGJMMOKYZMQ-SNVBAGLBSA-N 0 0 183.295 2.481 10 0 AEAERN CC1(C)CCC[C@H]1Nc1ccncn1 86876081 573673307 /nfs/dbraw/zinc/67/33/07/573673307.db2.gz MRIJSGGRWVAWNI-SECBINFHSA-N 0 0 191.278 2.467 10 0 AEAERN C[C@@H](O)[C@@]1(C)CC=CCC1 238475653 573673343 /nfs/dbraw/zinc/67/33/43/573673343.db2.gz JDONZNQQNRMQCE-BDAKNGLRSA-N 0 0 140.226 2.114 10 0 AEAERN O=C1CC[C@H]2[C@@H]1C21CCCC1 144692475 573673353 /nfs/dbraw/zinc/67/33/53/573673353.db2.gz VYZCXMUFRCXVBI-CBAPKCEASA-N 0 0 150.221 2.156 10 0 AEAERN O=C(OC1(C2CC2)CC1)C1CCC1 308411861 573673375 /nfs/dbraw/zinc/67/33/75/573673375.db2.gz ORTPDBCFWWGUEE-UHFFFAOYSA-N 0 0 180.247 2.272 10 0 AEAERN Cc1ccnc(C(F)F)c1F 238467191 573673382 /nfs/dbraw/zinc/67/33/82/573673382.db2.gz IUWXRSFLXUKMDB-UHFFFAOYSA-N 0 0 161.126 2.467 10 0 AEAERN CCCCOC(=O)CCC(=O)CC 43369063 573673417 /nfs/dbraw/zinc/67/34/17/573673417.db2.gz OOJJKWFYRXWRTR-UHFFFAOYSA-N 0 0 186.251 2.089 10 0 AEAERN CC1(C)CCC[C@H]1n1cncc1C[NH3+] 86878400 573673430 /nfs/dbraw/zinc/67/34/30/573673430.db2.gz FFFLUIKFECBBRN-SNVBAGLBSA-N 0 0 193.294 2.093 10 0 AEAERN CC1(C)CCCC[C@H]1NC#N 86875279 573673451 /nfs/dbraw/zinc/67/34/51/573673451.db2.gz CZYIRPVBYBSNHS-MRVPVSSYSA-N 0 0 152.241 2.026 10 0 AEAERN CO[C@@H](C)Cc1ccccc1C(C)=O 259547703 573673517 /nfs/dbraw/zinc/67/35/17/573673517.db2.gz VOJAQMLAUDGQLI-VIFPVBQESA-N 0 0 192.258 2.467 10 0 AEAERN OCCCC1(C2CCCCC2)COC1 258867804 573673528 /nfs/dbraw/zinc/67/35/28/573673528.db2.gz RUWMPWMMPQBPFP-UHFFFAOYSA-N 0 0 198.306 2.356 10 0 AEAERN CC(=O)Cc1cc(C)c(C)c(O)c1 258078349 573673557 /nfs/dbraw/zinc/67/35/57/573673557.db2.gz VGEMOHZGPLOECV-UHFFFAOYSA-N 0 0 178.231 2.141 10 0 AEAERN Cc1cccc([C@@H]2CCNC(=O)O2)c1 257846664 573673581 /nfs/dbraw/zinc/67/35/81/573673581.db2.gz NVERTSDFRTWIRJ-JTQLQIEISA-N 0 0 191.230 2.166 10 0 AEAERN CSC[C@H](O)CC(C)(C)C 258076452 573673645 /nfs/dbraw/zinc/67/36/45/573673645.db2.gz IYJQZZSBMRLSJA-SSDOTTSWSA-N 0 0 162.298 2.147 10 0 AEAERN COc1cccc(F)c1C(C)(C)CO 258076597 573673585 /nfs/dbraw/zinc/67/35/85/573673585.db2.gz INCFHWZPYULLDR-UHFFFAOYSA-N 0 0 198.237 2.104 10 0 AEAERN CC(C)C[C@@H](O)C(=O)C(C)(C)C 258867265 573673588 /nfs/dbraw/zinc/67/35/88/573673588.db2.gz RQFJNLDAQXJDJB-MRVPVSSYSA-N 0 0 172.268 2.009 10 0 AEAERN C[C@@H]1CCC(=O)c2ccn(C)c21 144653240 573673597 /nfs/dbraw/zinc/67/35/97/573673597.db2.gz MCTWBQRDJSSTLI-SSDOTTSWSA-N 0 0 163.220 2.105 10 0 AEAERN CC[C@H]1CCCCC1=C1C[NH2+]C1 86881879 573673604 /nfs/dbraw/zinc/67/36/04/573673604.db2.gz PRZUMSBYMOPTIQ-VIFPVBQESA-N 0 0 165.280 2.486 10 0 AEAERN COc1c(C)ccc(CCCO)c1C 258078119 573673752 /nfs/dbraw/zinc/67/37/52/573673752.db2.gz MUFOMRGREAKNJG-UHFFFAOYSA-N 0 0 194.274 2.237 10 0 AEAERN COc1ccc(NCO)cc1C(C)C 258860258 573673756 /nfs/dbraw/zinc/67/37/56/573673756.db2.gz FJPMSNWYFDZFOU-UHFFFAOYSA-N 0 0 195.262 2.180 10 0 AEAERN COc1ccc(C2CCCC2)nn1 259550309 573673951 /nfs/dbraw/zinc/67/39/51/573673951.db2.gz VUMFVPXTTZVHMA-UHFFFAOYSA-N 0 0 178.235 2.143 10 0 AEAERN OCC1(c2ccnc3ccccc23)CC1 259546699 573673966 /nfs/dbraw/zinc/67/39/66/573673966.db2.gz SZZAMSPFUWZECU-UHFFFAOYSA-N 0 0 199.253 2.259 10 0 AEAERN COc1ccccc1C/C=C\CCO 258076103 573673969 /nfs/dbraw/zinc/67/39/69/573673969.db2.gz FNOGHRXCXDSBHR-IHWYPQMZSA-N 0 0 192.258 2.176 10 0 AEAERN CCSc1cc(OC)ccc1N 83825302 573673975 /nfs/dbraw/zinc/67/39/75/573673975.db2.gz PUPQBGDDKBFAAX-UHFFFAOYSA-N 0 0 183.276 2.389 10 0 AEAERN Cc1nc(CSC(C)C)cn1C 258077763 573674062 /nfs/dbraw/zinc/67/40/62/573674062.db2.gz HFHIFVPCWLZLEX-UHFFFAOYSA-N 0 0 184.308 2.370 10 0 AEAERN C[C@H]1[C@H](O)[C@H]2CCCCC[C@@H]21 238467870 573674112 /nfs/dbraw/zinc/67/41/12/573674112.db2.gz WGWVTIHWBTWCPN-IMSYWVGJSA-N 0 0 154.253 2.194 10 0 AEAERN CSc1ccc([C@H](C)CO)c(O)c1 258076585 573674121 /nfs/dbraw/zinc/67/41/21/573674121.db2.gz INADOGGPBVZZOR-SSDOTTSWSA-N 0 0 198.287 2.210 10 0 AEAERN Cc1cc(O)c(C)c(O)c1Cl 238468043 573674181 /nfs/dbraw/zinc/67/41/81/573674181.db2.gz XABRTRHOLMNPTI-UHFFFAOYSA-N 0 0 172.611 2.368 10 0 AEAERN CC(C)CCN1CC(=O)CC1(C)C 258870092 573674186 /nfs/dbraw/zinc/67/41/86/573674186.db2.gz RXYWQADNZVTXCK-UHFFFAOYSA-N 0 0 183.295 2.086 10 0 AEAERN CSC(=O)c1cc(C)ccc1N 144695371 573674218 /nfs/dbraw/zinc/67/42/18/573674218.db2.gz KCDFXFNXEKKHED-UHFFFAOYSA-N 0 0 181.260 2.080 10 0 AEAERN CC[C@@H](N)c1nc(CCC(C)C)no1 43373754 573674313 /nfs/dbraw/zinc/67/43/13/573674313.db2.gz OOXHSOIPEITBQI-MRVPVSSYSA-N 0 0 197.282 2.068 10 0 AEAERN CNc1ncc(CC2CCCC2)o1 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/nfs/dbraw/zinc/70/02/71/573700271.db2.gz ONSQLPZQYFIXCK-QMMMGPOBSA-N 0 0 172.611 2.376 10 0 AEAERN Cc1ccc(O)c(-c2ncccn2)c1 238482190 573700340 /nfs/dbraw/zinc/70/03/40/573700340.db2.gz ZEXFTUPXIBWEHS-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN C[C@@H]1C[C@H](O)CC2(CCCCC2)O1 238482774 573700376 /nfs/dbraw/zinc/70/03/76/573700376.db2.gz MGPNIUXGOJNDOO-ZJUUUORDSA-N 0 0 184.279 2.249 10 0 AEAERN CCC[C@@]1(O)CC(C)(C)OC1(C)C 86928016 573700400 /nfs/dbraw/zinc/70/04/00/573700400.db2.gz DKJJMPRKAXCMPF-LLVKDONJSA-N 0 0 186.295 2.495 10 0 AEAERN CC(C)[C@]1(O)CC(C)(C)OC1(C)C 86928038 573700439 /nfs/dbraw/zinc/70/04/39/573700439.db2.gz DGSUGHOZUBILRY-LLVKDONJSA-N 0 0 186.295 2.351 10 0 AEAERN CC1(C)C[C@](O)(C2CC2)C(C)(C)O1 86928116 573700464 /nfs/dbraw/zinc/70/04/64/573700464.db2.gz BDLSADLRGONRRZ-NSHDSACASA-N 0 0 184.279 2.105 10 0 AEAERN O[C@@H](C1=CCCCC1)c1cnns1 236515984 573700502 /nfs/dbraw/zinc/70/05/02/573700502.db2.gz CDKNWFVOXCEOFR-VIFPVBQESA-N 0 0 196.275 2.072 10 0 AEAERN Cc1[nH]c2cc(F)c(F)cc2c1CO 238482462 573700508 /nfs/dbraw/zinc/70/05/08/573700508.db2.gz BMILTOSZGFMJOP-UHFFFAOYSA-N 0 0 197.184 2.247 10 0 AEAERN CC(C)[N@@H+](C1CCCC1)[C@@H](C)C(=O)[O-] 308686817 573700521 /nfs/dbraw/zinc/70/05/21/573700521.db2.gz ZVHYGEDMVCVZPI-VIFPVBQESA-N 0 0 199.294 2.113 10 0 AEAERN Cc1cccc([C@@](C)(F)CO)c1 257848373 573700536 /nfs/dbraw/zinc/70/05/36/573700536.db2.gz QSDHALKCMANLOU-JTQLQIEISA-N 0 0 168.211 2.172 10 0 AEAERN Cc1ccc(Cl)c2[nH]nc(N)c12 238483250 573700563 /nfs/dbraw/zinc/70/05/63/573700563.db2.gz MIFIYZKRTCKARM-UHFFFAOYSA-N 0 0 181.626 2.107 10 0 AEAERN C/C=C/C(C)(C)[C@@H]1C[C@H]1CO 237996013 573700605 /nfs/dbraw/zinc/70/06/05/573700605.db2.gz JMTPDPOGCGHYGV-HYNBTVFTSA-N 0 0 154.253 2.217 10 0 AEAERN C[C@H]1Cc2cc(O)ccc2O[C@H]1C 238482407 573700613 /nfs/dbraw/zinc/70/06/13/573700613.db2.gz RWOXKWPTXPCYDZ-YUMQZZPRSA-N 0 0 178.231 2.352 10 0 AEAERN O=C(C1CCCCCC1)[C@@H](O)C1CC1 236519563 573700638 /nfs/dbraw/zinc/70/06/38/573700638.db2.gz JBHXKVBHUFLSDO-LBPRGKRZSA-N 0 0 196.290 2.297 10 0 AEAERN Cc1ccsc1N(C)CCCCO 259171584 573700675 /nfs/dbraw/zinc/70/06/75/573700675.db2.gz YSBZNACJYZTJKU-UHFFFAOYSA-N 0 0 199.319 2.265 10 0 AEAERN CC1=NC(=O)NC1c1cccc(F)c1 257848967 573700682 /nfs/dbraw/zinc/70/06/82/573700682.db2.gz OHEXNFQDIGVWBE-UHFFFAOYSA-N 0 0 192.193 2.230 10 0 AEAERN Cc1ncc(O)c(C(F)F)c1F 238483317 573700688 /nfs/dbraw/zinc/70/06/88/573700688.db2.gz USYBOOGHGBSYHW-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN COCN(C)c1ccc(SC)cc1 259166543 573700699 /nfs/dbraw/zinc/70/06/99/573700699.db2.gz UFHSMVXOEQQELY-UHFFFAOYSA-N 0 0 197.303 2.449 10 0 AEAERN Cc1cc2c(cc1Cl)C(=O)OC2 238482174 573700705 /nfs/dbraw/zinc/70/07/05/573700705.db2.gz BUDVSCLSPLZCMQ-UHFFFAOYSA-N 0 0 182.606 2.319 10 0 AEAERN Cc1ccc(CCc2c[nH]cn2)o1 238482205 573700994 /nfs/dbraw/zinc/70/09/94/573700994.db2.gz LBCARGRSCCDQMJ-UHFFFAOYSA-N 0 0 176.219 2.096 10 0 AEAERN O=C(CCC(F)F)O[C@@H]1C=CCC1 308425358 573701062 /nfs/dbraw/zinc/70/10/62/573701062.db2.gz WKUBJJOVDMAIBZ-SSDOTTSWSA-N 0 0 190.189 2.294 10 0 AEAERN Cc1coc([C@@H](NN)[C@@H]2CC2(C)C)c1 716112368 573701149 /nfs/dbraw/zinc/70/11/49/573701149.db2.gz WIOAGCQLQUUABC-WPRPVWTQSA-N 0 0 194.278 2.139 10 0 AEAERN O[C@@H](C1CCC1)C1(O)CCCCCC1 236525747 573701167 /nfs/dbraw/zinc/70/11/67/573701167.db2.gz UGBBHCIXCSKCJY-NSHDSACASA-N 0 0 198.306 2.233 10 0 AEAERN C=COCCOC(=O)[C@H](C)CCC 393552592 573701192 /nfs/dbraw/zinc/70/11/92/573701192.db2.gz VORPMDPBWYEFQY-SECBINFHSA-N 0 0 186.251 2.126 10 0 AEAERN Cc1ccc(O)c(-c2noc(C)n2)c1 238482251 573701243 /nfs/dbraw/zinc/70/12/43/573701243.db2.gz HHCVMSLWFNJDJK-UHFFFAOYSA-N 0 0 190.202 2.059 10 0 AEAERN C[C@H]1C[C@@H](C)N1C(=O)CCC(F)F 393552562 573701263 /nfs/dbraw/zinc/70/12/63/573701263.db2.gz VJYWCAWMGNISBV-KNVOCYPGSA-N 0 0 191.221 2.041 10 0 AEAERN CC(C)(O)c1nc(C2CCCC2)c[nH]1 259171523 573701400 /nfs/dbraw/zinc/70/14/00/573701400.db2.gz VGGQRDCSJXGNFU-UHFFFAOYSA-N 0 0 194.278 2.295 10 0 AEAERN CC(=O)c1cc(F)cc2c1O[C@@H](C)C2 259558012 573701309 /nfs/dbraw/zinc/70/13/09/573701309.db2.gz WVAWNXGKDDBASZ-LURJTMIESA-N 0 0 194.205 2.352 10 0 AEAERN CC[C@@H](O)[C@H]1CC(C)(C)OC1(C)C 86928413 573701359 /nfs/dbraw/zinc/70/13/59/573701359.db2.gz JHRQAJBJQPXKHK-RKDXNWHRSA-N 0 0 186.295 2.351 10 0 AEAERN CCc1oc(CO)nc1C1CCCC1 257848106 573701371 /nfs/dbraw/zinc/70/13/71/573701371.db2.gz ODVTYSQLIGDFHO-UHFFFAOYSA-N 0 0 195.262 2.387 10 0 AEAERN C=COCCOC(=O)[C@@H](C)CCC 393552593 573701548 /nfs/dbraw/zinc/70/15/48/573701548.db2.gz VORPMDPBWYEFQY-VIFPVBQESA-N 0 0 186.251 2.126 10 0 AEAERN CSc1nc(C)c(C)nc1Cl 83942181 573701586 /nfs/dbraw/zinc/70/15/86/573701586.db2.gz QPTJOPQJRWIZFB-UHFFFAOYSA-N 0 0 188.683 2.469 10 0 AEAERN Nc1nccc2c1[nH]c1cc(O)ccc12 258099745 573701606 /nfs/dbraw/zinc/70/16/06/573701606.db2.gz NVWDQHDWCJAMLW-UHFFFAOYSA-N 0 0 199.213 2.004 10 0 AEAERN Cc1cc(O)ccc1CC(C)(C)O 238482234 573701634 /nfs/dbraw/zinc/70/16/34/573701634.db2.gz NKJOLMUEIFNKEJ-UHFFFAOYSA-N 0 0 180.247 2.014 10 0 AEAERN Cc1ncc(O)c(C(F)F)c1C 238483005 573701663 /nfs/dbraw/zinc/70/16/63/573701663.db2.gz QQEPXGKGGLOTQJ-UHFFFAOYSA-N 0 0 173.162 2.342 10 0 AEAERN CC(C)c1oc(N)nc1[C@@H]1CCCO1 258099667 573701679 /nfs/dbraw/zinc/70/16/79/573701679.db2.gz NUGMVHKLVYIGKT-ZETCQYMHSA-N 0 0 196.250 2.232 10 0 AEAERN C[C@@H]1C[C@@H](C)N1C(=O)CCC(F)F 393552564 573701684 /nfs/dbraw/zinc/70/16/84/573701684.db2.gz VJYWCAWMGNISBV-RNFRBKRXSA-N 0 0 191.221 2.041 10 0 AEAERN O=Cc1cc2sccc2[nH]1 108264015 573703498 /nfs/dbraw/zinc/70/34/98/573703498.db2.gz FHSZDHJXKBJLLT-UHFFFAOYSA-N 0 0 151.190 2.042 10 0 AEAERN CCn1nc(C=O)c2c1CCC[C@H]2F 257848945 573701715 /nfs/dbraw/zinc/70/17/15/573701715.db2.gz OFWPVAMHLBHNEX-SSDOTTSWSA-N 0 0 196.225 2.062 10 0 AEAERN Cc1c(C(F)F)ncc(N)c1F 238482732 573701790 /nfs/dbraw/zinc/70/17/90/573701790.db2.gz CNAYYYIFYQPKFW-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN Cc1nc(Cl)c(NC2CC2)nc1C 83941284 573701797 /nfs/dbraw/zinc/70/17/97/573701797.db2.gz VZKOMUYYNCFTLF-UHFFFAOYSA-N 0 0 197.669 2.321 10 0 AEAERN Cc1c(C(F)F)ncc(O)c1F 238482847 573701798 /nfs/dbraw/zinc/70/17/98/573701798.db2.gz NBUTZWPOCUVSDK-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN CC(C)=C[C@]1(O)CS[C@H](C)C1 86939969 573708962 /nfs/dbraw/zinc/70/89/62/573708962.db2.gz TXYYDZQQMDSKKC-RKDXNWHRSA-N 0 0 172.293 2.209 10 0 AEAERN COc1cccc2c1OC(C)(C)CN2 257848293 573701846 /nfs/dbraw/zinc/70/18/46/573701846.db2.gz ASIXVWUHFBUPTI-UHFFFAOYSA-N 0 0 193.246 2.278 10 0 AEAERN C[C@H]1CC[C@@H](CCC(N)=O)C1(C)C 238482676 573701853 /nfs/dbraw/zinc/70/18/53/573701853.db2.gz PZRDHGIMAGCXDI-IUCAKERBSA-N 0 0 183.295 2.324 10 0 AEAERN CC(=O)[C@H](O)c1coc2ccccc12 259167994 573701870 /nfs/dbraw/zinc/70/18/70/573701870.db2.gz OBRUNXXRSPNIGC-NSHDSACASA-N 0 0 190.198 2.055 10 0 AEAERN CON[C@@H](C)c1c(F)cccc1OC 126872440 573701938 /nfs/dbraw/zinc/70/19/38/573701938.db2.gz WTOJGGLXDBZEBG-ZETCQYMHSA-N 0 0 199.225 2.046 10 0 AEAERN C=Cc1c(C)cnn1C(C)C 259166025 573701950 /nfs/dbraw/zinc/70/19/50/573701950.db2.gz HRZFVGJNGAEQRC-UHFFFAOYSA-N 0 0 150.225 2.415 10 0 AEAERN C/C=C/C(C)(C)[C@H]1C[C@@H]1CO 237996098 573702289 /nfs/dbraw/zinc/70/22/89/573702289.db2.gz JMTPDPOGCGHYGV-VJIGKBMESA-N 0 0 154.253 2.217 10 0 AEAERN CN(c1cncc(N)c1)C1CCCC1 122098280 573702061 /nfs/dbraw/zinc/70/20/61/573702061.db2.gz CUJMQHSNSSQKIG-UHFFFAOYSA-N 0 0 191.278 2.043 10 0 AEAERN O[C@H](c1ccoc1Cl)C1CC1 236524442 573702076 /nfs/dbraw/zinc/70/20/76/573702076.db2.gz CNNRZHAOFIZLBJ-ZETCQYMHSA-N 0 0 172.611 2.376 10 0 AEAERN CCc1nnc(NCC(C)C)s1 75825549 573702116 /nfs/dbraw/zinc/70/21/16/573702116.db2.gz ZCBFNALWWCMMBM-UHFFFAOYSA-N 0 0 185.296 2.168 10 0 AEAERN Cc1nccc2cc(CO)ccc12 258099808 573702295 /nfs/dbraw/zinc/70/22/95/573702295.db2.gz XPWZDQIRRVUCKA-UHFFFAOYSA-N 0 0 173.215 2.036 10 0 AEAERN Cc1c(C(F)F)c[nH]c(=O)c1F 238482873 573702136 /nfs/dbraw/zinc/70/21/36/573702136.db2.gz XVVLHKBDMQBEAS-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN CCC(=O)CCc1cnc(OC)s1 393552591 573702140 /nfs/dbraw/zinc/70/21/40/573702140.db2.gz VOFLKKINJZKHFY-UHFFFAOYSA-N 0 0 199.275 2.063 10 0 AEAERN C/C=C/C1=CCCC[C@@H](O)C1 237997824 573702235 /nfs/dbraw/zinc/70/22/35/573702235.db2.gz KTHYSQOLFOJXJE-JYBNPQIESA-N 0 0 152.237 2.424 10 0 AEAERN c1ncc(-c2ccc3c(c2)CCN3)o1 258099842 573702272 /nfs/dbraw/zinc/70/22/72/573702272.db2.gz XSABHBWNJUFJRY-UHFFFAOYSA-N 0 0 186.214 2.310 10 0 AEAERN c1cn2c(C3CCCC3)nnc2s1 75840930 573703505 /nfs/dbraw/zinc/70/35/05/573703505.db2.gz CSPANXHQLYNMPU-UHFFFAOYSA-N 0 0 193.275 2.448 10 0 AEAERN Cc1ccc(N(C)C)c(F)c1 75838558 573703196 /nfs/dbraw/zinc/70/31/96/573703196.db2.gz XQTLYIPVJISGLU-UHFFFAOYSA-N 0 0 153.200 2.200 10 0 AEAERN c1nc(CCc2ccsc2)c[nH]1 238014204 573703203 /nfs/dbraw/zinc/70/32/03/573703203.db2.gz RXGLRNCWNKFBCX-UHFFFAOYSA-N 0 0 178.260 2.256 10 0 AEAERN Cc1cc2c(cc1C)OCC(=S)N2 238483397 573703155 /nfs/dbraw/zinc/70/31/55/573703155.db2.gz QGYASFBWGWJOPI-UHFFFAOYSA-N 0 0 193.271 2.435 10 0 AEAERN CC(C)(O)c1nc2ccccc2o1 75845944 573703166 /nfs/dbraw/zinc/70/31/66/573703166.db2.gz DIBWMPSBBQSIQH-UHFFFAOYSA-N 0 0 177.203 2.055 10 0 AEAERN C[C@H]1CCCC(=O)C[C@@H]1C 238483608 573703242 /nfs/dbraw/zinc/70/32/42/573703242.db2.gz HYXVFVVREVUNEJ-YUMQZZPRSA-N 0 0 140.226 2.402 10 0 AEAERN CCCC[C@@]1(O)CS[C@@H](C)C1 86938380 573703270 /nfs/dbraw/zinc/70/32/70/573703270.db2.gz CQRBNHQJLVEYNC-IUCAKERBSA-N 0 0 174.309 2.433 10 0 AEAERN CC(C)[C@H](C)N(C)c1cncc(N)c1 122152626 573703535 /nfs/dbraw/zinc/70/35/35/573703535.db2.gz KNXULRRSAHIAPB-VIFPVBQESA-N 0 0 193.294 2.145 10 0 AEAERN CCNc1nc(C)c(C)nc1Cl 83941304 573703352 /nfs/dbraw/zinc/70/33/52/573703352.db2.gz NOVISSZHRJNONV-UHFFFAOYSA-N 0 0 185.658 2.179 10 0 AEAERN O=C(CCC1CC1)C(F)(F)F 83935776 573703454 /nfs/dbraw/zinc/70/34/54/573703454.db2.gz MBUMWILHVZNDLR-UHFFFAOYSA-N 0 0 166.142 2.308 10 0 AEAERN Cc1[nH]c2ccc(F)c(C)c2c1CO 238484171 573703459 /nfs/dbraw/zinc/70/34/59/573703459.db2.gz CKMMVXHJHALFMS-UHFFFAOYSA-N 0 0 193.221 2.416 10 0 AEAERN C[C@@H]1C[C@H](Nc2cccnc2)CS1 86934032 573703474 /nfs/dbraw/zinc/70/34/74/573703474.db2.gz QOSGTWZHSNYXMO-SCZZXKLOSA-N 0 0 194.303 2.388 10 0 AEAERN Oc1ccc(Cc2cncs2)cc1 108235135 573703490 /nfs/dbraw/zinc/70/34/90/573703490.db2.gz TUCXRLAIGOXNFO-UHFFFAOYSA-N 0 0 191.255 2.440 10 0 AEAERN C[C@@H](c1cnn(C)c1)C(F)(F)F 75839438 573704932 /nfs/dbraw/zinc/70/49/32/573704932.db2.gz IWEKJTXMUAXPFN-YFKPBYRVSA-N 0 0 178.157 2.086 10 0 AEAERN C[C@H]1Cc2ccc([C@H](C)O)cc2C1 238483739 573705377 /nfs/dbraw/zinc/70/53/77/573705377.db2.gz UZUVYUZWPGQFCD-IUCAKERBSA-N 0 0 176.259 2.475 10 0 AEAERN C/C1=C/CCC[C@@H](O)CC(=O)CC1 238483711 573704380 /nfs/dbraw/zinc/70/43/80/573704380.db2.gz WWUUUWVCZGEVCA-ZUYFITGHSA-N 0 0 182.263 2.217 10 0 AEAERN C[C@H]1C[C@H](Nc2cccnc2)CS1 86934033 573704460 /nfs/dbraw/zinc/70/44/60/573704460.db2.gz QOSGTWZHSNYXMO-WPRPVWTQSA-N 0 0 194.303 2.388 10 0 AEAERN Cc1nc(-c2cccc(O)c2)c[nH]1 108239043 573704517 /nfs/dbraw/zinc/70/45/17/573704517.db2.gz KTWQPVWRPANAAI-UHFFFAOYSA-N 0 0 174.203 2.091 10 0 AEAERN C[C@H]([NH3+])c1c(F)c(F)cc(F)c1F 75845003 573704538 /nfs/dbraw/zinc/70/45/38/573704538.db2.gz KJVZCKIKNVBVAK-VKHMYHEASA-N 0 0 193.143 2.263 10 0 AEAERN O[C@@H](C1=CCCCC1)c1cnccn1 236515937 573704577 /nfs/dbraw/zinc/70/45/77/573704577.db2.gz ZGIUUSWMBUESKW-NSHDSACASA-N 0 0 190.246 2.010 10 0 AEAERN C[C@@H]1C[C@@H]1C(=O)CCC1CC1 83936073 573704603 /nfs/dbraw/zinc/70/46/03/573704603.db2.gz IPLLRIWRLQBWQD-APPZFPTMSA-N 0 0 152.237 2.402 10 0 AEAERN CC[C@H](C)C[C@@]1(O)CCSC1 86938030 573704605 /nfs/dbraw/zinc/70/46/05/573704605.db2.gz UWWBLDAGNHLZKP-IUCAKERBSA-N 0 0 174.309 2.291 10 0 AEAERN OCc1ncoc1-c1ccc(Cl)o1 236519606 573704606 /nfs/dbraw/zinc/70/46/06/573704606.db2.gz IYPPHEAHEJSBLN-UHFFFAOYSA-N 0 0 199.593 2.080 10 0 AEAERN Cc1ncc(O)c(F)c1C(F)F 238483953 573704651 /nfs/dbraw/zinc/70/46/51/573704651.db2.gz BUKWUAYANXAYBQ-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN CC1(C)CNc2cccc(O)c2OC1 257849297 573704665 /nfs/dbraw/zinc/70/46/65/573704665.db2.gz AYPYFOLRRBGPQC-UHFFFAOYSA-N 0 0 193.246 2.223 10 0 AEAERN C[C@@H](c1ccnn1C)C(F)(F)F 75840176 573704679 /nfs/dbraw/zinc/70/46/79/573704679.db2.gz UJLWPVLPVMUUDT-YFKPBYRVSA-N 0 0 178.157 2.086 10 0 AEAERN C[C@H]1CCCC(=O)C12CC2 238483456 573704753 /nfs/dbraw/zinc/70/47/53/573704753.db2.gz OSUOWEUIPDQGAF-ZETCQYMHSA-N 0 0 138.210 2.156 10 0 AEAERN Cc1cc2c(cc1C)S[C@H](N)N2 238483910 573704786 /nfs/dbraw/zinc/70/47/86/573704786.db2.gz AGFOCVDWQWGUGN-SECBINFHSA-N 0 0 180.276 2.063 10 0 AEAERN C[C@H]1CCCC(=O)[C@@]1(C)Cl 238484091 573704806 /nfs/dbraw/zinc/70/48/06/573704806.db2.gz CMFGWRJSKCCZIF-XPUUQOCRSA-N 0 0 160.644 2.373 10 0 AEAERN Cc1c(F)cccc1N(C)C 75838550 573704811 /nfs/dbraw/zinc/70/48/11/573704811.db2.gz UQTXWZIDNMJORG-UHFFFAOYSA-N 0 0 153.200 2.200 10 0 AEAERN CC[C@H](C)C[C@]1(O)CCSC1 86938028 573704833 /nfs/dbraw/zinc/70/48/33/573704833.db2.gz UWWBLDAGNHLZKP-DTWKUNHWSA-N 0 0 174.309 2.291 10 0 AEAERN CCc1ccc([C@H](CC)NN)s1 126860161 573704836 /nfs/dbraw/zinc/70/48/36/573704836.db2.gz BUHSGIPBGAOHNG-QMMMGPOBSA-N 0 0 184.308 2.225 10 0 AEAERN CC(C)CCc1ncc(CO)s1 83943226 573704870 /nfs/dbraw/zinc/70/48/70/573704870.db2.gz WOISOSNVEUJEBI-UHFFFAOYSA-N 0 0 185.292 2.224 10 0 AEAERN C/C=C\C[N@H+](CCCC(=O)[O-])C(C)C 215335405 573704953 /nfs/dbraw/zinc/70/49/53/573704953.db2.gz QUYVUCKLQPVAJF-PLNGDYQASA-N 0 0 199.294 2.138 10 0 AEAERN CSCC(=O)CCC1CC1 83935756 573704959 /nfs/dbraw/zinc/70/49/59/573704959.db2.gz LJPJXBGJRYKQJV-UHFFFAOYSA-N 0 0 158.266 2.109 10 0 AEAERN Cc1cccc2sc(CO)nc12 75844636 573704971 /nfs/dbraw/zinc/70/49/71/573704971.db2.gz PHRRVGMYDNMNBY-UHFFFAOYSA-N 0 0 179.244 2.097 10 0 AEAERN C[C@@H]1C[C@@](O)(C(C)(C)C)CS1 86939067 573704980 /nfs/dbraw/zinc/70/49/80/573704980.db2.gz ISRCGNGGWYFLES-APPZFPTMSA-N 0 0 174.309 2.289 10 0 AEAERN Cc1ccc(C(F)(F)F)c(C=O)n1 257849835 573705031 /nfs/dbraw/zinc/70/50/31/573705031.db2.gz OOLGJPRRGZWQAE-UHFFFAOYSA-N 0 0 189.136 2.221 10 0 AEAERN CCC[C@@]1(O)CS[C@H](C)C1 86939059 573705057 /nfs/dbraw/zinc/70/50/57/573705057.db2.gz XWJFAMYWLCZJKH-SFYZADRCSA-N 0 0 160.282 2.043 10 0 AEAERN CCc1cccc(CC)c1CCON 258101028 573705059 /nfs/dbraw/zinc/70/50/59/573705059.db2.gz OUXASCMUIQNMQZ-UHFFFAOYSA-N 0 0 193.290 2.244 10 0 AEAERN CC[C@@H](C)c1nc(CO)cs1 83942349 573705086 /nfs/dbraw/zinc/70/50/86/573705086.db2.gz ZIRYTAFIRVJIMU-ZCFIWIBFSA-N 0 0 171.265 2.149 10 0 AEAERN C[C@]1(Cl)C[C@@]1(C)CCCO 238483402 573705103 /nfs/dbraw/zinc/70/51/03/573705103.db2.gz DYINBLQHFUIAHC-SFYZADRCSA-N 0 0 162.660 2.166 10 0 AEAERN Cc1nc(C(C)C)n(C)c1C 75839058 573705113 /nfs/dbraw/zinc/70/51/13/573705113.db2.gz DPCQIVVULUEETG-UHFFFAOYSA-N 0 0 152.241 2.160 10 0 AEAERN CC(C)(C)Cc1ncc(CO)s1 83943059 573705134 /nfs/dbraw/zinc/70/51/34/573705134.db2.gz CFVMVVCYFAJOPT-UHFFFAOYSA-N 0 0 185.292 2.224 10 0 AEAERN Oc1cccc2c1NCC1(CC1)CN2 259171213 573705179 /nfs/dbraw/zinc/70/51/79/573705179.db2.gz JAHYHLFOMDYFFL-UHFFFAOYSA-N 0 0 190.246 2.010 10 0 AEAERN C[C@@H]([NH3+])C(F)(F)C1CCSCC1 257849886 573705197 /nfs/dbraw/zinc/70/51/97/573705197.db2.gz OPTVOXPHJBCKHF-ZCFIWIBFSA-N 0 0 195.278 2.112 10 0 AEAERN CCc1ccc([C@H](NN)C(C)C)o1 126815943 573705228 /nfs/dbraw/zinc/70/52/28/573705228.db2.gz RDLANMCMILXOHP-SNVBAGLBSA-N 0 0 182.267 2.002 10 0 AEAERN FC(F)(F)[C@@H]1CNCc2ccoc21 257849654 573705230 /nfs/dbraw/zinc/70/52/30/573705230.db2.gz OLDFQZJMTOZHKT-ZCFIWIBFSA-N 0 0 191.152 2.029 10 0 AEAERN Cc1cccc(C)c1OCC1COC1 259172085 573705727 /nfs/dbraw/zinc/70/57/27/573705727.db2.gz YIDFQYHUWKYQJF-UHFFFAOYSA-N 0 0 192.258 2.329 10 0 AEAERN CCc1ccc([C@@H](NN)C(C)C)o1 126816144 573705285 /nfs/dbraw/zinc/70/52/85/573705285.db2.gz RDLANMCMILXOHP-JTQLQIEISA-N 0 0 182.267 2.002 10 0 AEAERN c1ncc(C2CCCC2)cn1 75840506 573705293 /nfs/dbraw/zinc/70/52/93/573705293.db2.gz KDNYWMWNECPPST-UHFFFAOYSA-N 0 0 148.209 2.134 10 0 AEAERN C[C@H]1C[C@](O)(C(C)(C)C)CS1 86939065 573705729 /nfs/dbraw/zinc/70/57/29/573705729.db2.gz ISRCGNGGWYFLES-IONNQARKSA-N 0 0 174.309 2.289 10 0 AEAERN CCC[C@H](C)C[C@@]1(C(=O)[O-])CCC[NH2+]1 215675348 573705323 /nfs/dbraw/zinc/70/53/23/573705323.db2.gz MJKKTBPQRVKBLT-GXSJLCMTSA-N 0 0 199.294 2.020 10 0 AEAERN Cc1nc2c(C(C)(C)O)cccc2[nH]1 258100858 573705346 /nfs/dbraw/zinc/70/53/46/573705346.db2.gz ORZQCCFHPWDUEU-UHFFFAOYSA-N 0 0 190.246 2.099 10 0 AEAERN CCC[C@H](C)C[C@]1(C(=O)[O-])CCC[NH2+]1 215675256 573705347 /nfs/dbraw/zinc/70/53/47/573705347.db2.gz MJKKTBPQRVKBLT-ONGXEEELSA-N 0 0 199.294 2.020 10 0 AEAERN CCCCC[C@H]([NH3+])C1(C(=O)[O-])CCC1 308691672 573705409 /nfs/dbraw/zinc/70/54/09/573705409.db2.gz RQHIPZAEDFEPTO-VIFPVBQESA-N 0 0 199.294 2.149 10 0 AEAERN CNc1cncc(N[C@@H](C)C2CC2)c1 122134592 573705420 /nfs/dbraw/zinc/70/54/20/573705420.db2.gz DLNYEYZIIFRMSQ-QMMMGPOBSA-N 0 0 191.278 2.334 10 0 AEAERN CCC[C@@H](C)C[C@@]1(C(=O)[O-])CCC[NH2+]1 215675303 573705423 /nfs/dbraw/zinc/70/54/23/573705423.db2.gz MJKKTBPQRVKBLT-MWLCHTKSSA-N 0 0 199.294 2.020 10 0 AEAERN CCCCCC[C@@]1(C(=O)[O-])CCC[NH2+]1 215675132 573705472 /nfs/dbraw/zinc/70/54/72/573705472.db2.gz AQXBWISBUCKCKE-NSHDSACASA-N 0 0 199.294 2.164 10 0 AEAERN CCCCCC[C@]1(C(=O)[O-])CCC[NH2+]1 215675079 573705501 /nfs/dbraw/zinc/70/55/01/573705501.db2.gz AQXBWISBUCKCKE-LLVKDONJSA-N 0 0 199.294 2.164 10 0 AEAERN Cc1c(Cl)ccc(C[NH3+])c1F 75844815 573705521 /nfs/dbraw/zinc/70/55/21/573705521.db2.gz FKBAZMZAKJTIPH-UHFFFAOYSA-N 0 0 173.618 2.246 10 0 AEAERN C[C@]1(Cl)C[C@]12C1(CC1)[C@@]21C[C@@H]1CO 238483637 573705522 /nfs/dbraw/zinc/70/55/22/573705522.db2.gz GPEGAKTYZMOCHO-YKDSUIRESA-N 0 0 198.693 2.166 10 0 AEAERN CN(C)c1ccc(C(C)(C)O)cc1F 75845873 573705529 /nfs/dbraw/zinc/70/55/29/573705529.db2.gz XFPMOTNZVXOXKW-UHFFFAOYSA-N 0 0 197.253 2.119 10 0 AEAERN Cc1cccc(C(C)(C)O)c1F 75845851 573705541 /nfs/dbraw/zinc/70/55/41/573705541.db2.gz PADUJEXSINMTCV-UHFFFAOYSA-N 0 0 168.211 2.362 10 0 AEAERN C[C@H]1C[C@@H](Nc2cccnc2)CS1 86934035 573705557 /nfs/dbraw/zinc/70/55/57/573705557.db2.gz QOSGTWZHSNYXMO-WCBMZHEXSA-N 0 0 194.303 2.388 10 0 AEAERN FC(F)(F)[C@H]1CNCc2ccoc21 257849653 573705576 /nfs/dbraw/zinc/70/55/76/573705576.db2.gz OLDFQZJMTOZHKT-LURJTMIESA-N 0 0 191.152 2.029 10 0 AEAERN C/C=C/C[C@@H](O)/C(C)=C/C 238017192 573705579 /nfs/dbraw/zinc/70/55/79/573705579.db2.gz VAEQBVMZYUDYIP-VLKDEQRHSA-N 0 0 140.226 2.280 10 0 AEAERN CCCCC[C@]1(O)CCSC1 86938071 573705581 /nfs/dbraw/zinc/70/55/81/573705581.db2.gz IEYLDTJVKZEPLA-VIFPVBQESA-N 0 0 174.309 2.435 10 0 AEAERN C[C@@H]1C[C@@H]1[C@H](O)CCC1CC1 83936976 573705600 /nfs/dbraw/zinc/70/56/00/573705600.db2.gz MXIDOGJWPPYCJH-FKTZTGRPSA-N 0 0 154.253 2.194 10 0 AEAERN CCCC[C@]1(O)CS[C@@H](C)C1 86938382 573705735 /nfs/dbraw/zinc/70/57/35/573705735.db2.gz CQRBNHQJLVEYNC-DTWKUNHWSA-N 0 0 174.309 2.433 10 0 AEAERN CCOc1nc(C)c(C)nc1Cl 83941041 573705608 /nfs/dbraw/zinc/70/56/08/573705608.db2.gz AGRYUVKBYJRBMU-UHFFFAOYSA-N 0 0 186.642 2.146 10 0 AEAERN C=C1NN=C(Nc2ccccc2)S1 238017287 573705619 /nfs/dbraw/zinc/70/56/19/573705619.db2.gz ASHZOIVZXVDMGM-UHFFFAOYSA-N 0 0 191.259 2.177 10 0 AEAERN CON[C@H](C)c1c(F)cccc1OC 126872674 573705625 /nfs/dbraw/zinc/70/56/25/573705625.db2.gz WTOJGGLXDBZEBG-SSDOTTSWSA-N 0 0 199.225 2.046 10 0 AEAERN Cn1ccc2cccc(C(C)(C)O)c21 257849129 573705662 /nfs/dbraw/zinc/70/56/62/573705662.db2.gz DSGUJDYYLSJCEJ-UHFFFAOYSA-N 0 0 189.258 2.406 10 0 AEAERN C[C@@H]1CC(C)(C)[NH2+]C2(CCCCC2)N1 238477702 573707703 /nfs/dbraw/zinc/70/77/03/573707703.db2.gz KBRJKGFAJWSAEU-SNVBAGLBSA-N 0 0 196.338 2.397 10 0 AEAERN O[C@H]([C@H]1CC=CCC1)[C@@H]1CCCOC1 224962197 573707958 /nfs/dbraw/zinc/70/79/58/573707958.db2.gz XOXFHSNXACMIHR-QJPTWQEYSA-N 0 0 196.290 2.130 10 0 AEAERN C[C@H]1C(=O)CC[C@H]1Cc1ccncc1 83951940 573707980 /nfs/dbraw/zinc/70/79/80/573707980.db2.gz PLOCRGHBSQPLRT-KOLCDFICSA-N 0 0 189.258 2.239 10 0 AEAERN C[C@@H](O)c1ccc2c(c1)CCCN2C 75852825 573707987 /nfs/dbraw/zinc/70/79/87/573707987.db2.gz FCVWRTSDNLGXQI-SECBINFHSA-N 0 0 191.274 2.122 10 0 AEAERN c1ccc(CCNc2ncco2)cc1 238014526 573707306 /nfs/dbraw/zinc/70/73/06/573707306.db2.gz WTUQAMSDJGKWBL-UHFFFAOYSA-N 0 0 188.230 2.329 10 0 AEAERN CCC[C@]1(O)CS[C@@H](C)C1 86939057 573707326 /nfs/dbraw/zinc/70/73/26/573707326.db2.gz XWJFAMYWLCZJKH-JGVFFNPUSA-N 0 0 160.282 2.043 10 0 AEAERN CC(C)(C)C[C@@H](O)[C@@H]1CCCOC1 224962796 573707338 /nfs/dbraw/zinc/70/73/38/573707338.db2.gz PEICHTOIOSUHJI-NXEZZACHSA-N 0 0 186.295 2.210 10 0 AEAERN Cc1cc(N(C)C)ccc1F 75838548 573707353 /nfs/dbraw/zinc/70/73/53/573707353.db2.gz NZOLKNYHVANKKH-UHFFFAOYSA-N 0 0 153.200 2.200 10 0 AEAERN O[C@@H]1CCC[C@H](Cc2ccccn2)C1 83952251 573708017 /nfs/dbraw/zinc/70/80/17/573708017.db2.gz ZICXYXHARQMFCG-ZYHUDNBSSA-N 0 0 191.274 2.175 10 0 AEAERN O[C@H]1CCC[C@H](Cc2ccccn2)C1 83952249 573707435 /nfs/dbraw/zinc/70/74/35/573707435.db2.gz ZICXYXHARQMFCG-PWSUYJOCSA-N 0 0 191.274 2.175 10 0 AEAERN C[C@H](O)[C@@H]1CC[C@@](C)(c2ccco2)O1 238477671 573707439 /nfs/dbraw/zinc/70/74/39/573707439.db2.gz ATUHQZPMSVFTIU-QXEWZRGKSA-N 0 0 196.246 2.055 10 0 AEAERN CCC(CC)(C(=O)[O-])[C@H]([NH3+])C1CCC1 308688002 573707443 /nfs/dbraw/zinc/70/74/43/573707443.db2.gz QMUVHEBBTLPGHK-SECBINFHSA-N 0 0 199.294 2.005 10 0 AEAERN C[C@H]1C[C@H](NCC(F)(F)F)CS1 86933963 573707482 /nfs/dbraw/zinc/70/74/82/573707482.db2.gz OUQYDVHTAGOVKY-WDSKDSINSA-N 0 0 199.241 2.032 10 0 AEAERN C[C@H]1C[C@@](O)(C(C)(C)C)CS1 86939070 573707504 /nfs/dbraw/zinc/70/75/04/573707504.db2.gz ISRCGNGGWYFLES-CBAPKCEASA-N 0 0 174.309 2.289 10 0 AEAERN CCCNc1ccc(C=O)cc1 108256626 573707505 /nfs/dbraw/zinc/70/75/05/573707505.db2.gz CTTXSVSZWFTZBD-UHFFFAOYSA-N 0 0 163.220 2.321 10 0 AEAERN C[C@H]1C[C@](O)(C2CCCC2)CS1 86938507 573707537 /nfs/dbraw/zinc/70/75/37/573707537.db2.gz PJSSCEYEIDUACI-WCBMZHEXSA-N 0 0 186.320 2.433 10 0 AEAERN CC(C)C[C@@]1(O)CS[C@H](C)C1 86939077 573707545 /nfs/dbraw/zinc/70/75/45/573707545.db2.gz STCVQCADYUXESV-BDAKNGLRSA-N 0 0 174.309 2.289 10 0 AEAERN C[C@H]1CCC(=O)c2cc(O)ccc21 238477763 573707564 /nfs/dbraw/zinc/70/75/64/573707564.db2.gz UMPWUMMCMGLQCK-ZETCQYMHSA-N 0 0 176.215 2.472 10 0 AEAERN Cc1cccc2c1NCC1(CC1)N2C 257849144 573707591 /nfs/dbraw/zinc/70/75/91/573707591.db2.gz AVBXGRPQTUJZNP-UHFFFAOYSA-N 0 0 188.274 2.389 10 0 AEAERN 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393553629 573709203 /nfs/dbraw/zinc/70/92/03/573709203.db2.gz XZFFDIJSMWRYTB-UHFFFAOYSA-N 0 0 198.287 2.490 10 0 AEAERN Nc1cc(-c2ccccc2F)c[nH]1 258100548 573709250 /nfs/dbraw/zinc/70/92/50/573709250.db2.gz KMGWOAZHVRSTLF-UHFFFAOYSA-N 0 0 176.194 2.403 10 0 AEAERN Cc1cnc([C@H](O)C(C)C)s1 75853586 573709267 /nfs/dbraw/zinc/70/92/67/573709267.db2.gz YYIGDVZASREIQL-SSDOTTSWSA-N 0 0 171.265 2.141 10 0 AEAERN C[C@H]1CC[C@@]1(O)c1ccc(O)cc1 238491128 573709299 /nfs/dbraw/zinc/70/92/99/573709299.db2.gz GIVAIHBHXUMKHC-KWQFWETISA-N 0 0 178.231 2.010 10 0 AEAERN C=CC(=O)N[C@H]1CCCCC[C@H]1C 83949373 573709327 /nfs/dbraw/zinc/70/93/27/573709327.db2.gz IXDIFORIRSZVBV-ZJUUUORDSA-N 0 0 181.279 2.257 10 0 AEAERN Cn1c(C=O)ccc1C1CCC1 108264685 573709344 /nfs/dbraw/zinc/70/93/44/573709344.db2.gz RSTWSPSBZCCDOG-UHFFFAOYSA-N 0 0 163.220 2.105 10 0 AEAERN CC[C@H]([NH2+]C)c1ccc(C(=O)[O-])cc1 259561276 573709349 /nfs/dbraw/zinc/70/93/49/573709349.db2.gz WFOPYCIUOMZHNM-JTQLQIEISA-N 0 0 193.246 2.055 10 0 AEAERN C[C@H](O)c1ncc(-c2ccccc2)o1 75853251 573709358 /nfs/dbraw/zinc/70/93/58/573709358.db2.gz LPJHTHCQNUZDEK-QMMMGPOBSA-N 0 0 189.214 2.395 10 0 AEAERN C[C@H]1CCCCC[C@H]1NC#N 83949304 573709379 /nfs/dbraw/zinc/70/93/79/573709379.db2.gz UXSYYHYSQQJNHW-DTWKUNHWSA-N 0 0 152.241 2.026 10 0 AEAERN CC(C)[C@@H](O)c1ccc(N(C)C)cc1 75853451 573710607 /nfs/dbraw/zinc/71/06/07/573710607.db2.gz UNKNHGIXUWUDBD-GFCCVEGCSA-N 0 0 193.290 2.442 10 0 AEAERN C[C@@H]1CCC[C@@]1(O)Cc1ccccn1 83950894 573709403 /nfs/dbraw/zinc/70/94/03/573709403.db2.gz NGNIFYCRRUTDLB-ZYHUDNBSSA-N 0 0 191.274 2.175 10 0 AEAERN C[C@H](O)[C@@H]1Cc2cc(Cl)ccc2O1 258099901 573709408 /nfs/dbraw/zinc/70/94/08/573709408.db2.gz NVRBXJSAQDAUQA-WKEGUHRASA-N 0 0 198.649 2.024 10 0 AEAERN C[C@H]1SCCC[C@@H]1Nc1cn[nH]c1 86943399 573709428 /nfs/dbraw/zinc/70/94/28/573709428.db2.gz LGWPTOOVDCEADG-APPZFPTMSA-N 0 0 197.307 2.106 10 0 AEAERN O[C@@H]1CCC[C@@H](Cc2ccncc2)C1 83952254 573709430 /nfs/dbraw/zinc/70/94/30/573709430.db2.gz HQYZKXKYCXPQJJ-NWDGAFQWSA-N 0 0 191.274 2.175 10 0 AEAERN Cc1cc(C)c2c(c1)CCC(=O)C2 238491240 573709485 /nfs/dbraw/zinc/70/94/85/573709485.db2.gz YAGWHTLQXZSNBN-UHFFFAOYSA-N 0 0 174.243 2.361 10 0 AEAERN CONCc1cc(Cl)ccc1C 258100990 573709501 /nfs/dbraw/zinc/70/95/01/573709501.db2.gz OUKJAPCDHXYFQE-UHFFFAOYSA-N 0 0 185.654 2.299 10 0 AEAERN CC(=O)C[C@@H]1Cc2c(F)cccc2N1 258100640 573709510 /nfs/dbraw/zinc/70/95/10/573709510.db2.gz IMHMMBOADHCQHM-MRVPVSSYSA-N 0 0 193.221 2.141 10 0 AEAERN CCC(CC)(C(=O)[O-])[C@@H]([NH3+])C1CCC1 308688003 573709520 /nfs/dbraw/zinc/70/95/20/573709520.db2.gz QMUVHEBBTLPGHK-VIFPVBQESA-N 0 0 199.294 2.005 10 0 AEAERN C[C@H]1OC(=O)c2c(O)ccc(Cl)c21 238491182 573709525 /nfs/dbraw/zinc/70/95/25/573709525.db2.gz FWULXENRZLRNPX-SCSAIBSYSA-N 0 0 198.605 2.277 10 0 AEAERN O[C@@H]1CCOC[C@H]1CC1CCCCC1 236532866 573710613 /nfs/dbraw/zinc/71/06/13/573710613.db2.gz SXDKCDFCYONMCX-VXGBXAGGSA-N 0 0 198.306 2.354 10 0 AEAERN Cc1ccc([C@@H](O)C(C)C)nc1 75853581 573710615 /nfs/dbraw/zinc/71/06/15/573710615.db2.gz UNVWIZHZKHTUMB-JTQLQIEISA-N 0 0 165.236 2.079 10 0 AEAERN C[C@@H]1C(=O)CC[C@H]1Cc1ccncc1 83951941 573709563 /nfs/dbraw/zinc/70/95/63/573709563.db2.gz PLOCRGHBSQPLRT-ONGXEEELSA-N 0 0 189.258 2.239 10 0 AEAERN Cc1ccc(C2(O)CCCC2)nc1 75846716 573709583 /nfs/dbraw/zinc/70/95/83/573709583.db2.gz FVNHHVIZEQYWQQ-UHFFFAOYSA-N 0 0 177.247 2.152 10 0 AEAERN Cc1c(F)ccc2c(CCO)c[nH]c12 238490550 573709633 /nfs/dbraw/zinc/70/96/33/573709633.db2.gz DYLALPYPLXWIGP-UHFFFAOYSA-N 0 0 193.221 2.150 10 0 AEAERN O[C@@H](C1CCCCCC1)[C@H](O)C1CC1 236534126 573709634 /nfs/dbraw/zinc/70/96/34/573709634.db2.gz SUPVJMRSHNKUSB-NWDGAFQWSA-N 0 0 198.306 2.089 10 0 AEAERN COCCCCOc1cccc(N)c1 130789016 573709643 /nfs/dbraw/zinc/70/96/43/573709643.db2.gz CIUJOIIDTWFKBE-UHFFFAOYSA-N 0 0 195.262 2.074 10 0 AEAERN Cc1cn(C)c2cccc(C=O)c12 238490625 573710618 /nfs/dbraw/zinc/71/06/18/573710618.db2.gz XBOZOZSKRBZFHO-UHFFFAOYSA-N 0 0 173.215 2.299 10 0 AEAERN O[C@@H]1CCOC[C@H]1C1CCCCCC1 236532743 573709651 /nfs/dbraw/zinc/70/96/51/573709651.db2.gz UCFMLROCGNQTEO-NWDGAFQWSA-N 0 0 198.306 2.354 10 0 AEAERN Cc1ccc2nc([C@H](C)O)oc2c1 75853262 573709662 /nfs/dbraw/zinc/70/96/62/573709662.db2.gz XETCXTFJOXVXJN-ZETCQYMHSA-N 0 0 177.203 2.190 10 0 AEAERN Cc1cc(F)ccc1[C@@](C)(F)CO 257854106 573709679 /nfs/dbraw/zinc/70/96/79/573709679.db2.gz SSCHSADGSXNTOB-JTQLQIEISA-N 0 0 186.201 2.311 10 0 AEAERN CCC(=O)N[C@H]1CCCCC[C@H]1C 83950165 573709691 /nfs/dbraw/zinc/70/96/91/573709691.db2.gz JQRQZEADDRYJMO-ZJUUUORDSA-N 0 0 183.295 2.481 10 0 AEAERN C[C@@H]1C[C@@](O)(c2ccccc2)CS1 86939646 573709720 /nfs/dbraw/zinc/70/97/20/573709720.db2.gz JOCLOEUUGBZGAL-KOLCDFICSA-N 0 0 194.299 2.400 10 0 AEAERN C[C@H]1CCC[C@]1(O)Cc1ccccn1 83950893 573709759 /nfs/dbraw/zinc/70/97/59/573709759.db2.gz NGNIFYCRRUTDLB-JQWIXIFHSA-N 0 0 191.274 2.175 10 0 AEAERN CC(C)[C@H](O)c1cccc(O)c1 75853420 573709816 /nfs/dbraw/zinc/70/98/16/573709816.db2.gz RPCPSKWBWBKHNV-JTQLQIEISA-N 0 0 166.220 2.082 10 0 AEAERN O=Cc1cccc(Cc2ccncc2)c1 83951266 573709837 /nfs/dbraw/zinc/70/98/37/573709837.db2.gz SWGZQFWTZKVOAS-UHFFFAOYSA-N 0 0 197.237 2.485 10 0 AEAERN C[C@@H]1SCCC[C@H]1Nc1cn[nH]c1 86943397 573709858 /nfs/dbraw/zinc/70/98/58/573709858.db2.gz LGWPTOOVDCEADG-IONNQARKSA-N 0 0 197.307 2.106 10 0 AEAERN C[C@@H]1[C@@H](O)CC[C@@H]1Cc1ccncc1 83952323 573709885 /nfs/dbraw/zinc/70/98/85/573709885.db2.gz RVBOOAOZNNHLRO-WCQGTBRESA-N 0 0 191.274 2.031 10 0 AEAERN O[C@H]1CCC[C@H]1C/C=C/Cl 236540997 573709890 /nfs/dbraw/zinc/70/98/90/573709890.db2.gz VLUADLSYKRSLAQ-VSSAVIFKSA-N 0 0 160.644 2.290 10 0 AEAERN C[C@H]1C[C@](O)(CC(C)(C)C)CCO1 642833364 573709891 /nfs/dbraw/zinc/70/98/91/573709891.db2.gz KOJMTQXMTSSQSC-ONGXEEELSA-N 0 0 186.295 2.353 10 0 AEAERN Cc1ccc(O)c(C2(O)CCCC2)c1 75846625 573709906 /nfs/dbraw/zinc/70/99/06/573709906.db2.gz MSKQFTYVZVUACX-UHFFFAOYSA-N 0 0 192.258 2.462 10 0 AEAERN O=C1CCC[C@@H](Cc2ccncc2)C1 83951898 573709917 /nfs/dbraw/zinc/70/99/17/573709917.db2.gz FFAGFJOUXFZQFV-NSHDSACASA-N 0 0 189.258 2.383 10 0 AEAERN C=C=C[C@@H](O)c1ccc(C)cc1 238490835 573710634 /nfs/dbraw/zinc/71/06/34/573710634.db2.gz JTYZMYPKGYFELF-LLVKDONJSA-N 0 0 160.216 2.370 10 0 AEAERN Cc1cc2cc(C=O)ccc2n1C 108265679 573709974 /nfs/dbraw/zinc/70/99/74/573709974.db2.gz WNPZFNLXTIPMOY-UHFFFAOYSA-N 0 0 173.215 2.299 10 0 AEAERN C[C@]1(O)CC[C@H]2CNc3cccc1c32 238491152 573709979 /nfs/dbraw/zinc/70/99/79/573709979.db2.gz CLUQKJKONLBNSU-UFBFGSQYSA-N 0 0 189.258 2.197 10 0 AEAERN C[C@@H]1C[C@](O)(c2ccccc2)CS1 86939642 573709989 /nfs/dbraw/zinc/70/99/89/573709989.db2.gz JOCLOEUUGBZGAL-MWLCHTKSSA-N 0 0 194.299 2.400 10 0 AEAERN C=CC(=O)N[C@@H]1CCCCC[C@H]1C 83949375 573709999 /nfs/dbraw/zinc/70/99/99/573709999.db2.gz IXDIFORIRSZVBV-NXEZZACHSA-N 0 0 181.279 2.257 10 0 AEAERN Cc1cccn2c(-c3ccco3)nnc12 258418030 573710020 /nfs/dbraw/zinc/71/00/20/573710020.db2.gz VUDRYBWNQBZMFU-UHFFFAOYSA-N 0 0 199.213 2.298 10 0 AEAERN Cc1cnc([C@@H](O)C(C)C)s1 75853587 573710026 /nfs/dbraw/zinc/71/00/26/573710026.db2.gz YYIGDVZASREIQL-ZETCQYMHSA-N 0 0 171.265 2.141 10 0 AEAERN O[C@H](c1ccsc1)C1(O)CCCC1 236540158 573710030 /nfs/dbraw/zinc/71/00/30/573710030.db2.gz QAWYPAVGEVTUSU-SECBINFHSA-N 0 0 198.287 2.087 10 0 AEAERN C[C@@](F)(CO)c1ccccc1F 257850351 573710079 /nfs/dbraw/zinc/71/00/79/573710079.db2.gz RNBCMWDNZQQVCD-SECBINFHSA-N 0 0 172.174 2.003 10 0 AEAERN Cc1c(F)ccc2c[nH]nc12 238491190 573710086 /nfs/dbraw/zinc/71/00/86/573710086.db2.gz HFMDUDRMJQUVMN-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN C[C@H](O)c1nc2cc(F)ccc2s1 75852913 573710095 /nfs/dbraw/zinc/71/00/95/573710095.db2.gz OBCKDZZJOROPQC-YFKPBYRVSA-N 0 0 197.234 2.489 10 0 AEAERN O[C@H]1CCC[C@@H](Cc2ccncc2)C1 83952252 573710114 /nfs/dbraw/zinc/71/01/14/573710114.db2.gz HQYZKXKYCXPQJJ-RYUDHWBXSA-N 0 0 191.274 2.175 10 0 AEAERN C[C@H](O)c1c(F)c(F)cc(F)c1F 75852768 573710117 /nfs/dbraw/zinc/71/01/17/573710117.db2.gz KSGLXMCBJYLAFD-VKHMYHEASA-N 0 0 194.127 2.296 10 0 AEAERN C[C@H]1CC[C@@](O)(Cc2ccccn2)C1 83950837 573710150 /nfs/dbraw/zinc/71/01/50/573710150.db2.gz LLRHJPKLGVGAPB-JQWIXIFHSA-N 0 0 191.274 2.175 10 0 AEAERN C[C@@H]1CC[C@@](O)(Cc2ccccn2)C1 83950836 573710159 /nfs/dbraw/zinc/71/01/59/573710159.db2.gz LLRHJPKLGVGAPB-PWSUYJOCSA-N 0 0 191.274 2.175 10 0 AEAERN C[C@@H]1[C@@H](O)CC[C@H]1Cc1ccccn1 83952313 573710168 /nfs/dbraw/zinc/71/01/68/573710168.db2.gz NDWKQUBMLUWNEE-NHCYSSNCSA-N 0 0 191.274 2.031 10 0 AEAERN O[C@H]1C=C(Cc2ccccn2)CCC1 83952324 573710240 /nfs/dbraw/zinc/71/02/40/573710240.db2.gz SIOIRQHXLXSWDJ-GFCCVEGCSA-N 0 0 189.258 2.095 10 0 AEAERN CC(=O)CCNc1cc(F)ccc1F 258888789 573710241 /nfs/dbraw/zinc/71/02/41/573710241.db2.gz JCJXEZRZOATVTK-UHFFFAOYSA-N 0 0 199.200 2.356 10 0 AEAERN O[C@@H](c1ccsc1)C1(O)CCCC1 236541445 573710247 /nfs/dbraw/zinc/71/02/47/573710247.db2.gz QAWYPAVGEVTUSU-VIFPVBQESA-N 0 0 198.287 2.087 10 0 AEAERN Cc1cc(C)c2c(c1)CCOC2=O 238490934 573710250 /nfs/dbraw/zinc/71/02/50/573710250.db2.gz VCZLIXPYAYDMAS-UHFFFAOYSA-N 0 0 176.215 2.016 10 0 AEAERN C1=C(OC2CCCC2)CCOC1 238011318 573710255 /nfs/dbraw/zinc/71/02/55/573710255.db2.gz TUTZTYQOKZUWOF-UHFFFAOYSA-N 0 0 168.236 2.250 10 0 AEAERN O=Cc1ncnc2c(Cl)cccc12 257850468 573710258 /nfs/dbraw/zinc/71/02/58/573710258.db2.gz ORSMZYCGSXLVLQ-UHFFFAOYSA-N 0 0 192.605 2.096 10 0 AEAERN O[C@@H](c1ccc(Cl)o1)C1CC1 236528560 573710293 /nfs/dbraw/zinc/71/02/93/573710293.db2.gz ONSQLPZQYFIXCK-MRVPVSSYSA-N 0 0 172.611 2.376 10 0 AEAERN Nc1coc(Oc2ccccc2F)n1 257850617 573710372 /nfs/dbraw/zinc/71/03/72/573710372.db2.gz BKZTWEHLFDXXPP-UHFFFAOYSA-N 0 0 194.165 2.188 10 0 AEAERN CC[C@@H]([NH2+]C)c1ccc(C(=O)[O-])cc1 259561279 573710389 /nfs/dbraw/zinc/71/03/89/573710389.db2.gz WFOPYCIUOMZHNM-SNVBAGLBSA-N 0 0 193.246 2.055 10 0 AEAERN Cc1ccc(OC2CC2)c(CNO)c1 258096205 573710431 /nfs/dbraw/zinc/71/04/31/573710431.db2.gz OKFCQZBTJQBUFP-UHFFFAOYSA-N 0 0 193.246 2.015 10 0 AEAERN Cc1cc2cccc(O)c2n1C 108264599 573710519 /nfs/dbraw/zinc/71/05/19/573710519.db2.gz QHZVJTJDIAFBSW-UHFFFAOYSA-N 0 0 161.204 2.192 10 0 AEAERN CCc1ccc(F)c([C@@H](C)CO)c1 258101096 573710527 /nfs/dbraw/zinc/71/05/27/573710527.db2.gz OVQMUXSFWXGLIP-QMMMGPOBSA-N 0 0 182.238 2.484 10 0 AEAERN OC[C@H](F)c1ccc(F)c(Cl)c1 257850259 573710540 /nfs/dbraw/zinc/71/05/40/573710540.db2.gz RKECEGRZKKDAOO-QMMMGPOBSA-N 0 0 192.592 2.482 10 0 AEAERN C[C@](F)(CO)c1ccccc1F 257850352 573710554 /nfs/dbraw/zinc/71/05/54/573710554.db2.gz RNBCMWDNZQQVCD-VIFPVBQESA-N 0 0 172.174 2.003 10 0 AEAERN O[C@@H](C1CCCCC1)C1(O)CCCC1 236530450 573710556 /nfs/dbraw/zinc/71/05/56/573710556.db2.gz OFPZTHGFHAJDLI-NSHDSACASA-N 0 0 198.306 2.233 10 0 AEAERN O[C@H](C1=CCCCC1)c1csnn1 236560055 573712225 /nfs/dbraw/zinc/71/22/25/573712225.db2.gz QNBBDXLRAQVAKE-SECBINFHSA-N 0 0 196.275 2.072 10 0 AEAERN C[C@@H]1Cc2c(Cl)cc(N)cc2O1 238492109 573712227 /nfs/dbraw/zinc/71/22/27/573712227.db2.gz RNXUKTLXBWWNBZ-RXMQYKEDSA-N 0 0 183.638 2.246 10 0 AEAERN O[C@H]1CCOC[C@@H]1CC1CCCCC1 236555740 573712233 /nfs/dbraw/zinc/71/22/33/573712233.db2.gz SXDKCDFCYONMCX-RYUDHWBXSA-N 0 0 198.306 2.354 10 0 AEAERN C=C/C=C/C[C@H](O)/C=C\C 393554501 573712242 /nfs/dbraw/zinc/71/22/42/573712242.db2.gz OPBNGXCVOLZGMU-PKYRIYOESA-N 0 0 138.210 2.056 10 0 AEAERN C[C@H]1C[C@@](O)(c2ccccc2)CS1 86939648 573712253 /nfs/dbraw/zinc/71/22/53/573712253.db2.gz JOCLOEUUGBZGAL-ONGXEEELSA-N 0 0 194.299 2.400 10 0 AEAERN C[C@H]1SCCC[C@H]1Nc1cn[nH]c1 86943395 573712277 /nfs/dbraw/zinc/71/22/77/573712277.db2.gz LGWPTOOVDCEADG-VXNVDRBHSA-N 0 0 197.307 2.106 10 0 AEAERN CC(C)[C@@H](O)c1cc(F)ccc1N 75853939 573712284 /nfs/dbraw/zinc/71/22/84/573712284.db2.gz XAMGMSZJUHDVRG-SNVBAGLBSA-N 0 0 183.226 2.097 10 0 AEAERN Cc1ccc(F)c2c1[C@@H](CO)CC2 238493148 573712298 /nfs/dbraw/zinc/71/22/98/573712298.db2.gz NQMOXVDXTWEDJQ-MRVPVSSYSA-N 0 0 180.222 2.156 10 0 AEAERN Cc1cc2nccn2c2c(N)cccc12 258101603 573712055 /nfs/dbraw/zinc/71/20/55/573712055.db2.gz NXPISLULJSOLLU-UHFFFAOYSA-N 0 0 197.241 2.378 10 0 AEAERN Cc1cc2cccc(N)c2n1C 108264591 573712057 /nfs/dbraw/zinc/71/20/57/573712057.db2.gz PVVYTWPHGFDAHZ-UHFFFAOYSA-N 0 0 160.220 2.069 10 0 AEAERN CC(C)[C@@H]([NH3+])c1ccc(C(=O)[O-])cc1 75854115 573712066 /nfs/dbraw/zinc/71/20/66/573712066.db2.gz NKNLKHZICFUIOB-SNVBAGLBSA-N 0 0 193.246 2.041 10 0 AEAERN CC(C)CC1(C(=O)OCCF)CC1 393554595 573712073 /nfs/dbraw/zinc/71/20/73/573712073.db2.gz ZVKWXXRXZSXIJZ-UHFFFAOYSA-N 0 0 188.242 2.325 10 0 AEAERN CC(C)[C@H](O)c1ccc(N(C)C)cc1 75853450 573712077 /nfs/dbraw/zinc/71/20/77/573712077.db2.gz UNKNHGIXUWUDBD-LBPRGKRZSA-N 0 0 193.290 2.442 10 0 AEAERN CCCC1=NN([C@H](C)CC)C(=O)C1N 130796171 573712082 /nfs/dbraw/zinc/71/20/82/573712082.db2.gz GPYFPSXDRZNNML-SSDOTTSWSA-N 0 0 197.282 2.094 10 0 AEAERN C1CCC(OCC2CCOCC2)C1 238011608 573712145 /nfs/dbraw/zinc/71/21/45/573712145.db2.gz PKBUVVVVUFJMPP-UHFFFAOYSA-N 0 0 184.279 2.372 10 0 AEAERN C=C/C=C\C[C@H](O)/C=C/C 393554500 573712148 /nfs/dbraw/zinc/71/21/48/573712148.db2.gz OPBNGXCVOLZGMU-NAXGKYJNSA-N 0 0 138.210 2.056 10 0 AEAERN CCC/C=C\[C@H](C)[C@@H](C)O 393554474 573712193 /nfs/dbraw/zinc/71/21/93/573712193.db2.gz WBDKCDWBUOMSLX-XFPDIIEBSA-N 0 0 142.242 2.360 10 0 AEAERN CCCC1=NN([C@@H](C)CC)C(=O)C1N 130796004 573712195 /nfs/dbraw/zinc/71/21/95/573712195.db2.gz GPYFPSXDRZNNML-ZETCQYMHSA-N 0 0 197.282 2.094 10 0 AEAERN Cc1ccc([C@H](O)C(C)C)nc1 75853580 573712197 /nfs/dbraw/zinc/71/21/97/573712197.db2.gz UNVWIZHZKHTUMB-SNVBAGLBSA-N 0 0 165.236 2.079 10 0 AEAERN C[C@H](CO)c1cccc2ncsc12 258096229 573712207 /nfs/dbraw/zinc/71/22/07/573712207.db2.gz OLAZVEGYLLQJBJ-SSDOTTSWSA-N 0 0 193.271 2.392 10 0 AEAERN C[C@H](O)c1ccc2c(c1F)CCC2 258096157 573712406 /nfs/dbraw/zinc/71/24/06/573712406.db2.gz XIRVVVDBEMOUTB-ZETCQYMHSA-N 0 0 180.222 2.368 10 0 AEAERN CNc1nc(Cc2ccco2)cs1 258890360 573712422 /nfs/dbraw/zinc/71/24/22/573712422.db2.gz UBXDMODJAHATCR-UHFFFAOYSA-N 0 0 194.259 2.369 10 0 AEAERN COc1ccccc1-c1cc[nH]c1N 258094911 573712429 /nfs/dbraw/zinc/71/24/29/573712429.db2.gz KDCQEDYTMCCGDN-UHFFFAOYSA-N 0 0 188.230 2.273 10 0 AEAERN Cc1cc(F)ccc1[C@](C)(F)CO 257854109 573712612 /nfs/dbraw/zinc/71/26/12/573712612.db2.gz SSCHSADGSXNTOB-SNVBAGLBSA-N 0 0 186.201 2.311 10 0 AEAERN Cc1cc(C)c2c(c1)S[C@H](N)N2 238493513 573712613 /nfs/dbraw/zinc/71/26/13/573712613.db2.gz VZYLRWKUYMRMQU-SECBINFHSA-N 0 0 180.276 2.063 10 0 AEAERN COC[C@@H]1CCc2cccc(O)c2C1 257850420 573712448 /nfs/dbraw/zinc/71/24/48/573712448.db2.gz OQFSJXQHHRAOIF-SECBINFHSA-N 0 0 192.258 2.144 10 0 AEAERN Cc1cc(O)c2[nH]ccc2c1 238493115 573712468 /nfs/dbraw/zinc/71/24/68/573712468.db2.gz ZXRYYUZTIDMESK-UHFFFAOYSA-N 0 0 147.177 2.182 10 0 AEAERN Cc1ccc2c(c1C)C[C@@H](CO)CC2 238493255 573712473 /nfs/dbraw/zinc/71/24/73/573712473.db2.gz JQSWIJFTNOGPLR-NSHDSACASA-N 0 0 190.286 2.401 10 0 AEAERN CSc1ccc([C@@H](C)O)cc1O 258096256 573712486 /nfs/dbraw/zinc/71/24/86/573712486.db2.gz OLRKVMOBOKGLQC-ZCFIWIBFSA-N 0 0 184.260 2.167 10 0 AEAERN COc1cc(C2(O)CC2)cc(F)c1C 258096235 573712489 /nfs/dbraw/zinc/71/24/89/573712489.db2.gz OLBREWUFGBRJNA-UHFFFAOYSA-N 0 0 196.221 2.124 10 0 AEAERN O[C@H](C1=CCCCC1)c1cncnc1 236559963 573712504 /nfs/dbraw/zinc/71/25/04/573712504.db2.gz KOJZLWXTGSKJTN-LLVKDONJSA-N 0 0 190.246 2.010 10 0 AEAERN CC(C)[C@H]([NH3+])c1ccc(C(=O)[O-])cc1 75854114 573712547 /nfs/dbraw/zinc/71/25/47/573712547.db2.gz NKNLKHZICFUIOB-JTQLQIEISA-N 0 0 193.246 2.041 10 0 AEAERN Cc1cc(C)c2c(c1)OCC(=S)N2 238493140 573712556 /nfs/dbraw/zinc/71/25/56/573712556.db2.gz VHSNXSZRSPKKIR-UHFFFAOYSA-N 0 0 193.271 2.435 10 0 AEAERN OC1(c2ccc3c(c2)SCO3)CC1 258096051 573712574 /nfs/dbraw/zinc/71/25/74/573712574.db2.gz OHFJANVWZFHQMZ-UHFFFAOYSA-N 0 0 194.255 2.110 10 0 AEAERN Cc1cccc(-c2c(C)c2=O)c1 258890387 573712576 /nfs/dbraw/zinc/71/25/76/573712576.db2.gz UCCQAFGOGYSOGB-UHFFFAOYSA-N 0 0 158.200 2.206 10 0 AEAERN O[C@H]1CCCC[C@@H]1Sc1ncco1 236546109 573712582 /nfs/dbraw/zinc/71/25/82/573712582.db2.gz KIWOFHHUJHZRKR-YUMQZZPRSA-N 0 0 199.275 2.070 10 0 AEAERN Cc1ncccc1-c1cccc(N)n1 715173318 573712592 /nfs/dbraw/zinc/71/25/92/573712592.db2.gz SNUIPABTHOIGTN-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CC(C)(C)CC[C@@]1(C(=O)[O-])CCC[NH2+]1 215710719 573713092 /nfs/dbraw/zinc/71/30/92/573713092.db2.gz OWJYLBQNMSISIK-LLVKDONJSA-N 0 0 199.294 2.020 10 0 AEAERN Cc1ccc2nc([C@@H](C)O)oc2c1 75853261 573712631 /nfs/dbraw/zinc/71/26/31/573712631.db2.gz XETCXTFJOXVXJN-SSDOTTSWSA-N 0 0 177.203 2.190 10 0 AEAERN CC(C)(C)CC[C@]1(C(=O)[O-])CCC[NH2+]1 215710662 573712640 /nfs/dbraw/zinc/71/26/40/573712640.db2.gz OWJYLBQNMSISIK-NSHDSACASA-N 0 0 199.294 2.020 10 0 AEAERN CCc1cc(O)cc(C(C)(C)CO)c1 258096159 573712643 /nfs/dbraw/zinc/71/26/43/573712643.db2.gz OIIWSFFVKOFFJM-UHFFFAOYSA-N 0 0 194.274 2.225 10 0 AEAERN C[C@H]1Cc2ccc(C3(O)CC3)cc2C1 258096109 573712786 /nfs/dbraw/zinc/71/27/86/573712786.db2.gz OHLPLLZZLVMGID-VIFPVBQESA-N 0 0 188.270 2.403 10 0 AEAERN Cc1ccc2nc(C(C)C)nn2c1 258096470 573712696 /nfs/dbraw/zinc/71/26/96/573712696.db2.gz XSSWCOOFSKWGNN-UHFFFAOYSA-N 0 0 175.235 2.161 10 0 AEAERN Cc1cc2nc(Cl)[nH]c2nc1C 238492324 573712698 /nfs/dbraw/zinc/71/26/98/573712698.db2.gz FUGXYJVENQTUAG-UHFFFAOYSA-N 0 0 181.626 2.228 10 0 AEAERN Cc1ccccc1[C@H]1C=CC(=O)O1 83963673 573712715 /nfs/dbraw/zinc/71/27/15/573712715.db2.gz HMHPJHCHMWPKJC-SNVBAGLBSA-N 0 0 174.199 2.149 10 0 AEAERN C[C@H](O)c1ccc2c(c1O)CCCC2 258096167 573712790 /nfs/dbraw/zinc/71/27/90/573712790.db2.gz OINKWVMCFMTLQU-QMMMGPOBSA-N 0 0 192.258 2.324 10 0 AEAERN COc1ccc([C@@H](C)F)cc1CCO 258094817 573712797 /nfs/dbraw/zinc/71/27/97/573712797.db2.gz KALNLDQCNVMJMZ-MRVPVSSYSA-N 0 0 198.237 2.261 10 0 AEAERN OCC/C=C\[C@@H]1CCCSC1 258094811 573712816 /nfs/dbraw/zinc/71/28/16/573712816.db2.gz GQUWHDOCZDRKAK-RZXPJHQTSA-N 0 0 172.293 2.068 10 0 AEAERN C/C=C/C[C@H](O)c1ccccn1 238021026 573712881 /nfs/dbraw/zinc/71/28/81/573712881.db2.gz KYZXNBLSRDQMLK-PBKGFPTLSA-N 0 0 163.220 2.081 10 0 AEAERN CC(=O)[C@]1(C)CC(C)(C)O[C@@H]1C 238492123 573712895 /nfs/dbraw/zinc/71/28/95/573712895.db2.gz MZXDVFMKVYVACX-SCZZXKLOSA-N 0 0 170.252 2.169 10 0 AEAERN C[C@@H]1C=CN(C2CCCCC2)C(=O)N1 238492132 573712909 /nfs/dbraw/zinc/71/29/09/573712909.db2.gz KPZYVSIZKLZWPQ-SECBINFHSA-N 0 0 194.278 2.247 10 0 AEAERN O=C(C1CCC1)[C@@H](O)c1ccccc1 236551491 573712911 /nfs/dbraw/zinc/71/29/11/573712911.db2.gz KGBBRZPDIPQZGE-NSHDSACASA-N 0 0 190.242 2.089 10 0 AEAERN C[C@@]1(F)Cc2ccccc2[C@@H]1O 238493208 573712914 /nfs/dbraw/zinc/71/29/14/573712914.db2.gz AHBRNEZBFQAFKJ-VHSXEESVSA-N 0 0 166.195 2.004 10 0 AEAERN O[C@@]1(C2=CCCCC2)CCCOC1 236547531 573712963 /nfs/dbraw/zinc/71/29/63/573712963.db2.gz SVINQMCPPAHKKV-NSHDSACASA-N 0 0 182.263 2.028 10 0 AEAERN O[C@@]1(C2=CCCCC2)CCSC1 236547678 573712975 /nfs/dbraw/zinc/71/29/75/573712975.db2.gz YSHUGACFSKPFLL-JTQLQIEISA-N 0 0 184.304 2.355 10 0 AEAERN CC1N=C(c2cccnc2)SC1=O 259172673 573712990 /nfs/dbraw/zinc/71/29/90/573712990.db2.gz FUOQUMGGDDXOAR-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN Cc1cccc([C@@H]2C=CC(=O)O2)c1 83963674 573712993 /nfs/dbraw/zinc/71/29/93/573712993.db2.gz ALLCAERXDVOCEW-JTQLQIEISA-N 0 0 174.199 2.149 10 0 AEAERN C[C@@H](O)c1ccc2c(c1F)CCC2 258096154 573713002 /nfs/dbraw/zinc/71/30/02/573713002.db2.gz XIRVVVDBEMOUTB-SSDOTTSWSA-N 0 0 180.222 2.368 10 0 AEAERN C[C@@H](CO)c1cccc2ncsc12 258096232 573713008 /nfs/dbraw/zinc/71/30/08/573713008.db2.gz OLAZVEGYLLQJBJ-ZETCQYMHSA-N 0 0 193.271 2.392 10 0 AEAERN Cc1cc(C)c2c(c1)C(F)(F)C(=O)N2 238492716 573713024 /nfs/dbraw/zinc/71/30/24/573713024.db2.gz BJIQZAPAXVKCBA-UHFFFAOYSA-N 0 0 197.184 2.347 10 0 AEAERN C[C@]1(Cl)C(=O)C[C@H]2CC=C[C@@H]21 238492681 573713047 /nfs/dbraw/zinc/71/30/47/573713047.db2.gz XRRAPDQIZFIGAQ-BKPPORCPSA-N 0 0 170.639 2.149 10 0 AEAERN C/C=C/C[C@H](O)c1cccnc1 238021060 573713111 /nfs/dbraw/zinc/71/31/11/573713111.db2.gz HEFHPIXSJXXUIT-PBKGFPTLSA-N 0 0 163.220 2.081 10 0 AEAERN Cn1cc(/C=C\CO)c2ccccc21 215723174 573713118 /nfs/dbraw/zinc/71/31/18/573713118.db2.gz NWXNRXMDTZKWRS-PLNGDYQASA-N 0 0 187.242 2.184 10 0 AEAERN CN(CC(F)(F)F)c1cccnc1 259172615 573713132 /nfs/dbraw/zinc/71/31/32/573713132.db2.gz URYWPPNVCMMKHN-UHFFFAOYSA-N 0 0 190.168 2.080 10 0 AEAERN Cc1cc(N)c2ccncc2c1 259173105 573713147 /nfs/dbraw/zinc/71/31/47/573713147.db2.gz HWPKBWDNZBEWNL-UHFFFAOYSA-N 0 0 158.204 2.125 10 0 AEAERN Cc1cc(C)c2c(c1O)C[C@@H](C)C2=O 238492638 573713191 /nfs/dbraw/zinc/71/31/91/573713191.db2.gz VIKYWPWOBHBVNW-MRVPVSSYSA-N 0 0 190.242 2.384 10 0 AEAERN COc1cc(C(C)=O)cc(C)c1F 258101165 573713197 /nfs/dbraw/zinc/71/31/97/573713197.db2.gz OWWYUESHRCHWLB-UHFFFAOYSA-N 0 0 182.194 2.345 10 0 AEAERN Cc1ccc(F)c2c1[C@H](CO)CC2 238493019 573713217 /nfs/dbraw/zinc/71/32/17/573713217.db2.gz NQMOXVDXTWEDJQ-QMMMGPOBSA-N 0 0 180.222 2.156 10 0 AEAERN COC[C@H]1CCCc2cc(N)ccc21 257854981 573715774 /nfs/dbraw/zinc/71/57/74/573715774.db2.gz PRZVHCAISXLRSP-SNVBAGLBSA-N 0 0 191.274 2.335 10 0 AEAERN CC(C)C(=O)c1cc(F)ccc1N 75854761 573715555 /nfs/dbraw/zinc/71/55/55/573715555.db2.gz OVXAZSOBZZYPKS-UHFFFAOYSA-N 0 0 181.210 2.247 10 0 AEAERN Cc1cccc(OC(C)C)c1CON 258098422 573717374 /nfs/dbraw/zinc/71/73/74/573717374.db2.gz ONQJNZYNCTVHCZ-UHFFFAOYSA-N 0 0 195.262 2.173 10 0 AEAERN Cc1c(F)cccc1[C@H]1CCC(=O)N1 238494751 573717303 /nfs/dbraw/zinc/71/73/03/573717303.db2.gz DOARQEUEVSUWBX-SNVBAGLBSA-N 0 0 193.221 2.085 10 0 AEAERN COc1ccc(-c2cc[nH]c2N)cc1 258097549 573717394 /nfs/dbraw/zinc/71/73/94/573717394.db2.gz KHNNVRBQCYTZCQ-UHFFFAOYSA-N 0 0 188.230 2.273 10 0 AEAERN C/C=C/[C@@H](O)c1ccncc1Cl 238039679 573717396 /nfs/dbraw/zinc/71/73/96/573717396.db2.gz SMNYOSZJAMRANY-GKQMSVHHSA-N 0 0 183.638 2.345 10 0 AEAERN CN(C)Cc1ccc(C=O)cc1Cl 108270230 573715638 /nfs/dbraw/zinc/71/56/38/573715638.db2.gz BBNYFQRDPLIAID-UHFFFAOYSA-N 0 0 197.665 2.214 10 0 AEAERN C[C@H](O)Cc1cccc2c1[C@@H](C)CO2 258097615 573715660 /nfs/dbraw/zinc/71/56/60/573715660.db2.gz NSVKNRZTZJTHCX-IUCAKERBSA-N 0 0 192.258 2.106 10 0 AEAERN Cc1noc([C@H]2CCCSC2)c1N 257855200 573715705 /nfs/dbraw/zinc/71/57/05/573715705.db2.gz NMMBSNJJVRGANS-ZETCQYMHSA-N 0 0 198.291 2.176 10 0 AEAERN C[C@@H](F)Cc1ccccc1CNO 258098648 573715824 /nfs/dbraw/zinc/71/58/24/573715824.db2.gz OQRJBUUIBOJLSB-MRVPVSSYSA-N 0 0 183.226 2.066 10 0 AEAERN C[C@](F)(CO)c1ccc(F)cc1F 257855152 573715890 /nfs/dbraw/zinc/71/58/90/573715890.db2.gz TVTDBHRBJSCYAY-VIFPVBQESA-N 0 0 190.164 2.142 10 0 AEAERN C[C@@]1(CF)CCCC(=O)C1 238492009 573715940 /nfs/dbraw/zinc/71/59/40/573715940.db2.gz HFPBFVDDSHWUHA-MRVPVSSYSA-N 0 0 144.189 2.105 10 0 AEAERN C[C@H]1SCCC[C@@]1(O)C1CC1 86968467 573715942 /nfs/dbraw/zinc/71/59/42/573715942.db2.gz VKKIONFSDDSNBC-APPZFPTMSA-N 0 0 172.293 2.043 10 0 AEAERN C[P@@]1(=O)CNc2ccccc2O1 238492511 573715953 /nfs/dbraw/zinc/71/59/53/573715953.db2.gz GADKAQXFNLKYOC-LBPRGKRZSA-N 0 0 183.147 2.356 10 0 AEAERN C[C@H]1C[C@@H](C)C[C@H]([C@@H]2COC[C@@H]2O)C1 687965373 573715955 /nfs/dbraw/zinc/71/59/55/573715955.db2.gz GLDLHROSWGYDSJ-KNZXXDILSA-N 0 0 198.306 2.066 10 0 AEAERN CCn1nc(C(C)=O)c2c1CC[C@@H]2F 257855104 573717423 /nfs/dbraw/zinc/71/74/23/573717423.db2.gz PUZKCHRWCCBGCZ-ZETCQYMHSA-N 0 0 196.225 2.062 10 0 AEAERN CCn1nc(C(C)=O)c2c1CC[C@H]2F 257855101 573716011 /nfs/dbraw/zinc/71/60/11/573716011.db2.gz PUZKCHRWCCBGCZ-SSDOTTSWSA-N 0 0 196.225 2.062 10 0 AEAERN Cc1noc([C@@H]2CCCSC2)c1N 257855198 573716015 /nfs/dbraw/zinc/71/60/15/573716015.db2.gz NMMBSNJJVRGANS-SSDOTTSWSA-N 0 0 198.291 2.176 10 0 AEAERN CC(=O)c1cnc(CC(C)(C)C)o1 258097078 573716037 /nfs/dbraw/zinc/71/60/37/573716037.db2.gz NGEXBIQRZHNIIK-UHFFFAOYSA-N 0 0 181.235 2.466 10 0 AEAERN COc1ccc(Oc2ncco2)cc1 257855157 573716050 /nfs/dbraw/zinc/71/60/50/573716050.db2.gz CVZNXYFUTQBJES-UHFFFAOYSA-N 0 0 191.186 2.476 10 0 AEAERN C[C@@H]1C=CN(c2ccccc2)C(=O)N1 238492257 573716107 /nfs/dbraw/zinc/71/61/07/573716107.db2.gz CNYABNSDWCVIPO-SECBINFHSA-N 0 0 188.230 2.118 10 0 AEAERN C/C=C/[C@@H](O)[C@]1(C)CCCCC1=O 238039186 573716115 /nfs/dbraw/zinc/71/61/15/573716115.db2.gz ZNDJHDZYNLYJAS-GEWXZFBTSA-N 0 0 182.263 2.073 10 0 AEAERN Cc1cc2[nH]cc(CO)c2cc1C 238492919 573716126 /nfs/dbraw/zinc/71/61/26/573716126.db2.gz JLOAINVLMTZDBU-UHFFFAOYSA-N 0 0 175.231 2.277 10 0 AEAERN Cc1cccc2c1C[C@@H](CCO)S2 258098128 573716132 /nfs/dbraw/zinc/71/61/32/573716132.db2.gz ILSDWZCGOLFUNG-SECBINFHSA-N 0 0 194.299 2.394 10 0 AEAERN Oc1ccc(Cc2cscn2)cc1 197528881 573716164 /nfs/dbraw/zinc/71/61/64/573716164.db2.gz QYDNEOCEEZTPGB-UHFFFAOYSA-N 0 0 191.255 2.440 10 0 AEAERN C/C=C/[C@@H](O)[C@@]1(C)C=CCC1 238039157 573716168 /nfs/dbraw/zinc/71/61/68/573716168.db2.gz QFBZBWLHWXWKPJ-OJKCRXNLSA-N 0 0 152.237 2.280 10 0 AEAERN COC[C@@H]1CCCc2cccc(N)c21 257855107 573716176 /nfs/dbraw/zinc/71/61/76/573716176.db2.gz PVKSZSOZMAWGPY-JTQLQIEISA-N 0 0 191.274 2.335 10 0 AEAERN Cc1ccc2sc(CCO)nc2c1 75856931 573716185 /nfs/dbraw/zinc/71/61/85/573716185.db2.gz XGRCHUMBCGDXKA-UHFFFAOYSA-N 0 0 193.271 2.140 10 0 AEAERN CC(C)CC(=O)c1cccn1C 83963024 573716216 /nfs/dbraw/zinc/71/62/16/573716216.db2.gz XNFGPWDXELTOJL-UHFFFAOYSA-N 0 0 165.236 2.254 10 0 AEAERN COC[C@H]1CCCc2cccc(N)c21 257855110 573716225 /nfs/dbraw/zinc/71/62/25/573716225.db2.gz PVKSZSOZMAWGPY-SNVBAGLBSA-N 0 0 191.274 2.335 10 0 AEAERN Cc1cccc(C2(Cl)COC2)c1 258512243 573716232 /nfs/dbraw/zinc/71/62/32/573716232.db2.gz GEDWCKAALWQJBK-UHFFFAOYSA-N 0 0 182.650 2.459 10 0 AEAERN CNC(=S)c1cccc(C)c1C 75856823 573716272 /nfs/dbraw/zinc/71/62/72/573716272.db2.gz NHXDLXZFNNBOQF-UHFFFAOYSA-N 0 0 179.288 2.198 10 0 AEAERN Nc1cnc2c(O)cccc2c1Cl 258097262 573716280 /nfs/dbraw/zinc/71/62/80/573716280.db2.gz NPBKTWOZSDJBPG-UHFFFAOYSA-N 0 0 194.621 2.176 10 0 AEAERN CNOC/C=C/c1ccccc1C 258512411 573716281 /nfs/dbraw/zinc/71/62/81/573716281.db2.gz FJVSJQRVPPQNMQ-VMPITWQZSA-N 0 0 177.247 2.159 10 0 AEAERN C[C@H]1SCCC[C@]1(O)c1ccoc1 86967869 573716295 /nfs/dbraw/zinc/71/62/95/573716295.db2.gz PXBDELUVHQRLIC-PSASIEDQSA-N 0 0 198.287 2.383 10 0 AEAERN CNc1cncc(N[C@@H]2CC2(C)C)c1 122271135 573716336 /nfs/dbraw/zinc/71/63/36/573716336.db2.gz VTCNTIKGGNVUOP-SNVBAGLBSA-N 0 0 191.278 2.334 10 0 AEAERN FC1(CNCc2ccco2)CCC1 308426815 573717442 /nfs/dbraw/zinc/71/74/42/573717442.db2.gz XJPVREMRAZXBLQ-UHFFFAOYSA-N 0 0 183.226 2.261 10 0 AEAERN Cc1ccc(-c2coc(C=O)n2)cc1 108277598 573716420 /nfs/dbraw/zinc/71/64/20/573716420.db2.gz JVNBQALLMYOGAB-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN O=C(OC[C@H]1CC=CCC1)C1CC1 393556149 573716440 /nfs/dbraw/zinc/71/64/40/573716440.db2.gz SMUPCOSUZLOKRW-VIFPVBQESA-N 0 0 180.247 2.296 10 0 AEAERN CC[C@]1(O)CCCS[C@H]1C 86967808 573716601 /nfs/dbraw/zinc/71/66/01/573716601.db2.gz DKVUWSUXQWRWSG-YUMQZZPRSA-N 0 0 160.282 2.043 10 0 AEAERN C[C@@H]1SCCC[C@]1(O)C1CC1 86968472 573716652 /nfs/dbraw/zinc/71/66/52/573716652.db2.gz VKKIONFSDDSNBC-IONNQARKSA-N 0 0 172.293 2.043 10 0 AEAERN C/C=C/[C@@H](O)c1occc1C 238039798 573716655 /nfs/dbraw/zinc/71/66/55/573716655.db2.gz PBUYRXRSOVIIDG-MPJRPATESA-N 0 0 152.193 2.198 10 0 AEAERN CCOc1ccccc1C(C)(C)CO 257855026 573716660 /nfs/dbraw/zinc/71/66/60/573716660.db2.gz SWQMQXIYNLEMKC-UHFFFAOYSA-N 0 0 194.274 2.355 10 0 AEAERN C/C=C/[C@@H](O)c1cnccc1Cl 238039726 573716687 /nfs/dbraw/zinc/71/66/87/573716687.db2.gz AADURCCGLYDOCE-GKQMSVHHSA-N 0 0 183.638 2.345 10 0 AEAERN C[C@H]1SCCC[C@]1(O)c1ccco1 86968254 573716695 /nfs/dbraw/zinc/71/66/95/573716695.db2.gz AYCKNDQXGGOLRV-PSASIEDQSA-N 0 0 198.287 2.383 10 0 AEAERN Cc1ccc(F)c2c[nH]nc12 238494877 573716706 /nfs/dbraw/zinc/71/67/06/573716706.db2.gz WNXLCOXAHSWRIC-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN CCC[C@@]1(O)CCCS[C@H]1C 86968049 573716708 /nfs/dbraw/zinc/71/67/08/573716708.db2.gz ZJKYZCXAUGCKQA-DTWKUNHWSA-N 0 0 174.309 2.433 10 0 AEAERN Cn1ccnc1[C@H](O)CC1CCCC1 122265727 573716714 /nfs/dbraw/zinc/71/67/14/573716714.db2.gz LMHKCFYSYNZQKL-SNVBAGLBSA-N 0 0 194.278 2.034 10 0 AEAERN Cc1ccc2c(c1)NC(=[NH2+])SC2 238494555 573716743 /nfs/dbraw/zinc/71/67/43/573716743.db2.gz CNWGUOLEJMGOTI-UHFFFAOYSA-N 0 0 178.260 2.188 10 0 AEAERN COc1cc(C[C@@H](C)O)cc(C)c1C 258098369 573716764 /nfs/dbraw/zinc/71/67/64/573716764.db2.gz OMLROTWGUWCUQF-SECBINFHSA-N 0 0 194.274 2.235 10 0 AEAERN C=C/C(C)=C/C=C(/C)CCO 238039835 573716785 /nfs/dbraw/zinc/71/67/85/573716785.db2.gz SENNYGVEAWPRJD-POQLCMLLSA-N 0 0 152.237 2.447 10 0 AEAERN Cc1cnc(C(=O)C(F)(F)F)s1 75855093 573716796 /nfs/dbraw/zinc/71/67/96/573716796.db2.gz MJWAVYUJNAMHAF-UHFFFAOYSA-N 0 0 195.165 2.197 10 0 AEAERN NOCc1cc(Cl)c2cc[nH]c2c1 258098675 573716807 /nfs/dbraw/zinc/71/68/07/573716807.db2.gz OREBVFXZWJYWAX-UHFFFAOYSA-N 0 0 196.637 2.212 10 0 AEAERN C[C@H]1SCCC[C@@]1(O)c1ccoc1 86967866 573716822 /nfs/dbraw/zinc/71/68/22/573716822.db2.gz PXBDELUVHQRLIC-SCZZXKLOSA-N 0 0 198.287 2.383 10 0 AEAERN CON[C@H](C)c1cccc(F)c1 108278593 573716830 /nfs/dbraw/zinc/71/68/30/573716830.db2.gz JZDLGKWFYHXBBH-SSDOTTSWSA-N 0 0 169.199 2.038 10 0 AEAERN CC(C)C(=O)c1ncccc1F 75854558 573716845 /nfs/dbraw/zinc/71/68/45/573716845.db2.gz ILAUUUCJQPXIHR-UHFFFAOYSA-N 0 0 167.183 2.059 10 0 AEAERN Cc1nc(C(=O)C(F)(F)F)oc1C 75855198 573716865 /nfs/dbraw/zinc/71/68/65/573716865.db2.gz BTUBPVVDLJIBFF-UHFFFAOYSA-N 0 0 193.124 2.036 10 0 AEAERN CCC[C@]1(O)CCCS[C@@H]1C 86968044 573716870 /nfs/dbraw/zinc/71/68/70/573716870.db2.gz ZJKYZCXAUGCKQA-BDAKNGLRSA-N 0 0 174.309 2.433 10 0 AEAERN COC[C@@H]1CCCc2cc(N)ccc21 257854980 573717465 /nfs/dbraw/zinc/71/74/65/573717465.db2.gz PRZVHCAISXLRSP-JTQLQIEISA-N 0 0 191.274 2.335 10 0 AEAERN C1=C[C@@]2(c3ccccc3)C[C@H]2C[NH2+]1 238039653 573716876 /nfs/dbraw/zinc/71/68/76/573716876.db2.gz ZANFKXUJBCTRDP-RYUDHWBXSA-N 0 0 171.243 2.061 10 0 AEAERN CC(C)[C@]1(O)CCCS[C@@H]1C 86968180 573716934 /nfs/dbraw/zinc/71/69/34/573716934.db2.gz VJHSYBIMSQUGSY-RKDXNWHRSA-N 0 0 174.309 2.289 10 0 AEAERN C/C=C/[C@@H](O)[C@@H]1C=CCCC1 238038696 573716949 /nfs/dbraw/zinc/71/69/49/573716949.db2.gz AVFZWBABFSPVSH-NXVMTKBZSA-N 0 0 152.237 2.280 10 0 AEAERN Cc1c(F)cccc1[C@H](N)C(F)F 238494591 573716967 /nfs/dbraw/zinc/71/69/67/573716967.db2.gz GBHKFHFNCLVADX-QMMMGPOBSA-N 0 0 189.180 2.399 10 0 AEAERN Cc1nn(C)c(C)c1C(=O)C(C)(C)C 75854814 573717007 /nfs/dbraw/zinc/71/70/07/573717007.db2.gz YZANBMUSBJQACL-UHFFFAOYSA-N 0 0 194.278 2.266 10 0 AEAERN C[C@H]1C[C@@H](C)C[C@H]([C@@H]2COC[C@H]2O)C1 687965378 573717009 /nfs/dbraw/zinc/71/70/09/573717009.db2.gz GLDLHROSWGYDSJ-MTVMDMGHSA-N 0 0 198.306 2.066 10 0 AEAERN CC(C)CC1(Cl)COC1 258512407 573717033 /nfs/dbraw/zinc/71/70/33/573717033.db2.gz GFXCLEVBAHWIPT-UHFFFAOYSA-N 0 0 148.633 2.040 10 0 AEAERN C[C@@](F)(CO)c1ccc(F)cc1F 257855150 573717063 /nfs/dbraw/zinc/71/70/63/573717063.db2.gz TVTDBHRBJSCYAY-SECBINFHSA-N 0 0 190.164 2.142 10 0 AEAERN Cc1c(F)cccc1[C@@H]1CCC(=O)N1 238493873 573717068 /nfs/dbraw/zinc/71/70/68/573717068.db2.gz DOARQEUEVSUWBX-JTQLQIEISA-N 0 0 193.221 2.085 10 0 AEAERN COc1cc(C[C@H](C)O)cc(C)c1C 258098372 573717083 /nfs/dbraw/zinc/71/70/83/573717083.db2.gz OMLROTWGUWCUQF-VIFPVBQESA-N 0 0 194.274 2.235 10 0 AEAERN CNC(=S)c1c(C)cccc1C 75856514 573717118 /nfs/dbraw/zinc/71/71/18/573717118.db2.gz NSAFJESTFXXPQJ-UHFFFAOYSA-N 0 0 179.288 2.198 10 0 AEAERN Cn1cc(N)c(-c2cccc(F)c2)c1 258097448 573717131 /nfs/dbraw/zinc/71/71/31/573717131.db2.gz KFXKUYFKCMQWAY-UHFFFAOYSA-N 0 0 190.221 2.413 10 0 AEAERN CNc1cncc(N[C@H]2CC2(C)C)c1 122270991 573717135 /nfs/dbraw/zinc/71/71/35/573717135.db2.gz VTCNTIKGGNVUOP-JTQLQIEISA-N 0 0 191.278 2.334 10 0 AEAERN Cc1ccc2c(c1)NC[C@H]2F 258418312 573717154 /nfs/dbraw/zinc/71/71/54/573717154.db2.gz BRGTWSYEOONWPF-MRVPVSSYSA-N 0 0 151.184 2.431 10 0 AEAERN CC[C@H]1CCC[C@]2(CC1)COC(N)=N2 83964773 573717186 /nfs/dbraw/zinc/71/71/86/573717186.db2.gz VYGABPIYBNIADF-ONGXEEELSA-N 0 0 196.294 2.060 10 0 AEAERN C/C(=C\Br)CCCO 238039386 573717292 /nfs/dbraw/zinc/71/72/92/573717292.db2.gz SCKDGUKOGUEZBC-AATRIKPKSA-N 0 0 179.057 2.058 10 0 AEAERN CC1(C)[C@H]2C(=O)CC=CC[C@H]21 197532651 573717209 /nfs/dbraw/zinc/71/72/09/573717209.db2.gz JXXJBUVBCKPLFH-VXNVDRBHSA-N 0 0 150.221 2.178 10 0 AEAERN C[C@@H](O)Cc1cccc2c1[C@@H](C)CO2 258097612 573717265 /nfs/dbraw/zinc/71/72/65/573717265.db2.gz NSVKNRZTZJTHCX-DTWKUNHWSA-N 0 0 192.258 2.106 10 0 AEAERN CC(C)[C@@]1(O)CCCS[C@H]1C 86968186 573717324 /nfs/dbraw/zinc/71/73/24/573717324.db2.gz VJHSYBIMSQUGSY-IUCAKERBSA-N 0 0 174.309 2.289 10 0 AEAERN C[P@]1(=O)CNc2ccccc2O1 238493734 573717332 /nfs/dbraw/zinc/71/73/32/573717332.db2.gz GADKAQXFNLKYOC-GFCCVEGCSA-N 0 0 183.147 2.356 10 0 AEAERN CC(C)C(=O)c1nccn1C1CC1 75854563 573717749 /nfs/dbraw/zinc/71/77/49/573717749.db2.gz IHJBGFQOKOUBFR-UHFFFAOYSA-N 0 0 178.235 2.057 10 0 AEAERN CC1(C)[C@H]2CC=CCC(=O)[C@H]21 197532663 573717361 /nfs/dbraw/zinc/71/73/61/573717361.db2.gz JXXJBUVBCKPLFH-CBAPKCEASA-N 0 0 150.221 2.178 10 0 AEAERN CC[C@H]1CCC[C@@]2(CC1)COC(N)=N2 83964768 573717362 /nfs/dbraw/zinc/71/73/62/573717362.db2.gz VYGABPIYBNIADF-GXSJLCMTSA-N 0 0 196.294 2.060 10 0 AEAERN c1ccn2nc(C3CCCC3)nc2c1 257854746 573717497 /nfs/dbraw/zinc/71/74/97/573717497.db2.gz AKIZOTXDZBGBMQ-UHFFFAOYSA-N 0 0 187.246 2.387 10 0 AEAERN CC[C@]1(O)CCCS[C@@H]1C 86967804 573717517 /nfs/dbraw/zinc/71/75/17/573717517.db2.gz DKVUWSUXQWRWSG-SFYZADRCSA-N 0 0 160.282 2.043 10 0 AEAERN O=C(OC[C@@H]1CC=CCC1)C1CC1 393556147 573717540 /nfs/dbraw/zinc/71/75/40/573717540.db2.gz SMUPCOSUZLOKRW-SECBINFHSA-N 0 0 180.247 2.296 10 0 AEAERN Cc1oc2cc(C(N)=O)ccc2c1C 238494726 573717573 /nfs/dbraw/zinc/71/75/73/573717573.db2.gz OBQGLQVGKHETLJ-UHFFFAOYSA-N 0 0 189.214 2.149 10 0 AEAERN C/C=C/[C@H](O)C1(CC)CC1 642834179 573717588 /nfs/dbraw/zinc/71/75/88/573717588.db2.gz HJQKHQCFQGFBTE-WGAJWPLOSA-N 0 0 140.226 2.114 10 0 AEAERN Cc1ccc([C@@H]2C=CC(=O)O2)cc1 83963670 573717590 /nfs/dbraw/zinc/71/75/90/573717590.db2.gz WEAIAFJXJGBKNP-JTQLQIEISA-N 0 0 174.199 2.149 10 0 AEAERN Nc1ccccc1[C@@H]1C[C@H]1F 259173421 573717599 /nfs/dbraw/zinc/71/75/99/573717599.db2.gz HZEMEXHGEBLEPJ-JGVFFNPUSA-N 0 0 151.184 2.094 10 0 AEAERN C[C@H]1C[C@@H](C)C[C@H]([C@H]2COC[C@@H]2O)C1 687965346 573717631 /nfs/dbraw/zinc/71/76/31/573717631.db2.gz GLDLHROSWGYDSJ-IIRVCBMXSA-N 0 0 198.306 2.066 10 0 AEAERN CNC(=S)c1ccccc1Cl 75856526 573717633 /nfs/dbraw/zinc/71/76/33/573717633.db2.gz RQXNMSLKINESBX-UHFFFAOYSA-N 0 0 185.679 2.235 10 0 AEAERN CCCCc1scc(N)c1N 223315718 573717640 /nfs/dbraw/zinc/71/76/40/573717640.db2.gz FIWAFLRTORSGKL-UHFFFAOYSA-N 0 0 170.281 2.255 10 0 AEAERN Cc1ccc2c(c1)NC[C@@H]2F 258418326 573717642 /nfs/dbraw/zinc/71/76/42/573717642.db2.gz BRGTWSYEOONWPF-QMMMGPOBSA-N 0 0 151.184 2.431 10 0 AEAERN Cc1oc2cc(O)c(N)cc2c1C 238494913 573717661 /nfs/dbraw/zinc/71/76/61/573717661.db2.gz FNAHKNVNNCPQQW-UHFFFAOYSA-N 0 0 177.203 2.337 10 0 AEAERN Cc1ncccc1[C@@H]1CCC(=O)C1 238494834 573717770 /nfs/dbraw/zinc/71/77/70/573717770.db2.gz FMPQJTNGMXTZGQ-SECBINFHSA-N 0 0 175.231 2.227 10 0 AEAERN C[C@@H]1CCc2nnc(C(C)(C)C)n2C1 258098411 573717814 /nfs/dbraw/zinc/71/78/14/573717814.db2.gz FRBMKRVEUSMERY-MRVPVSSYSA-N 0 0 193.294 2.158 10 0 AEAERN Cc1oc2c(c(=O)c1C)CCCC2 238493833 573717867 /nfs/dbraw/zinc/71/78/67/573717867.db2.gz JLSHUHIHWHYGJY-UHFFFAOYSA-N 0 0 178.231 2.135 10 0 AEAERN O[C@H](c1ccco1)C1(O)CCCCC1 236579678 573718575 /nfs/dbraw/zinc/71/85/75/573718575.db2.gz FAKWQWVWNUZUPO-SNVBAGLBSA-N 0 0 196.246 2.008 10 0 AEAERN CC(C)(C)[C@H](O)c1ccc(O)cc1N 257856807 573718576 /nfs/dbraw/zinc/71/85/76/573718576.db2.gz QATMGFBTEUXVOO-SNVBAGLBSA-N 0 0 195.262 2.054 10 0 AEAERN CCC[C@@]1(O)CCCS[C@@H]1C 86968046 573717936 /nfs/dbraw/zinc/71/79/36/573717936.db2.gz ZJKYZCXAUGCKQA-RKDXNWHRSA-N 0 0 174.309 2.433 10 0 AEAERN C[C@@H]1SCCC[C@@]1(O)C1CC1 86968468 573717964 /nfs/dbraw/zinc/71/79/64/573717964.db2.gz VKKIONFSDDSNBC-CBAPKCEASA-N 0 0 172.293 2.043 10 0 AEAERN C[C@@H]1SCCC[C@]1(O)c1ccoc1 86967871 573717988 /nfs/dbraw/zinc/71/79/88/573717988.db2.gz PXBDELUVHQRLIC-WCBMZHEXSA-N 0 0 198.287 2.383 10 0 AEAERN COCCCCNn1c(C)ccc1C 130868322 573718038 /nfs/dbraw/zinc/71/80/38/573718038.db2.gz CCFAMNTZWKZSIJ-UHFFFAOYSA-N 0 0 196.294 2.075 10 0 AEAERN Cc1cc(C(F)(F)F)c(C)c(=O)[nH]1 238494428 573718042 /nfs/dbraw/zinc/71/80/42/573718042.db2.gz KOWPGPOCFORABS-UHFFFAOYSA-N 0 0 191.152 2.011 10 0 AEAERN c1cc2c(cc1C1CC1)NCCO2 238028106 573718082 /nfs/dbraw/zinc/71/80/82/573718082.db2.gz LMWBDXAVOXLOEF-UHFFFAOYSA-N 0 0 175.231 2.368 10 0 AEAERN O[C@H]1CCCC[C@H]1Sc1ncco1 236568911 573718083 /nfs/dbraw/zinc/71/80/83/573718083.db2.gz KIWOFHHUJHZRKR-JGVFFNPUSA-N 0 0 199.275 2.070 10 0 AEAERN CC1(C)[C@@H]2CC=CCC(=O)[C@H]21 197532672 573718093 /nfs/dbraw/zinc/71/80/93/573718093.db2.gz JXXJBUVBCKPLFH-APPZFPTMSA-N 0 0 150.221 2.178 10 0 AEAERN Oc1cccc([C@@]23CC[C@@H](CO2)C3)c1 258098626 573718097 /nfs/dbraw/zinc/71/80/97/573718097.db2.gz IXVWDNOCLLQSHV-SKDRFNHKSA-N 0 0 190.242 2.418 10 0 AEAERN Oc1c[nH]c(CSC2CCCC2)n1 236574570 573718122 /nfs/dbraw/zinc/71/81/22/573718122.db2.gz FWQGEIHQVLXFRS-UHFFFAOYSA-N 0 0 198.291 2.291 10 0 AEAERN CC(=O)C1(C(C)C)CCC(=O)CC1 258510431 573718170 /nfs/dbraw/zinc/71/81/70/573718170.db2.gz FGPNJQDKBHDTIT-UHFFFAOYSA-N 0 0 182.263 2.361 10 0 AEAERN C[C@H]1CCC[C@]2(CC1)COC(=O)N2 83965447 573718173 /nfs/dbraw/zinc/71/81/73/573718173.db2.gz FZXIZTYLZPUJTC-WPRPVWTQSA-N 0 0 183.251 2.065 10 0 AEAERN Cc1cc(C)c2c(c1)NC(=S)CO2 238493729 573718187 /nfs/dbraw/zinc/71/81/87/573718187.db2.gz FRQNAKKCQXUGDS-UHFFFAOYSA-N 0 0 193.271 2.435 10 0 AEAERN O=C1N[C@@]2(CCC[C@H](C3CC3)C2)CO1 83966002 573718205 /nfs/dbraw/zinc/71/82/05/573718205.db2.gz SITXMWMPMMNUJT-GXSJLCMTSA-N 0 0 195.262 2.065 10 0 AEAERN CC(C)(O)c1c[nH]c2c(O)cccc12 258097227 573718208 /nfs/dbraw/zinc/71/82/08/573718208.db2.gz IHTIFJJIKMUWDQ-UHFFFAOYSA-N 0 0 191.230 2.101 10 0 AEAERN Oc1c[nH]c(-c2cccc(Cl)c2)n1 236576030 573718212 /nfs/dbraw/zinc/71/82/12/573718212.db2.gz MMXZKAFRAUVOJL-UHFFFAOYSA-N 0 0 194.621 2.436 10 0 AEAERN C[C@@H]1SCCC[C@@]1(O)c1ccoc1 86967868 573718232 /nfs/dbraw/zinc/71/82/32/573718232.db2.gz PXBDELUVHQRLIC-WPRPVWTQSA-N 0 0 198.287 2.383 10 0 AEAERN CC1(C)CCC[C@]2(COC(=O)N2)C1 83965278 573718238 /nfs/dbraw/zinc/71/82/38/573718238.db2.gz BAAXRYYVWHRSKR-SNVBAGLBSA-N 0 0 183.251 2.065 10 0 AEAERN CC[C@H]1CCC[C@@]2(COC(=O)N2)C1 83965686 573718244 /nfs/dbraw/zinc/71/82/44/573718244.db2.gz BWBYABMQIUEZMC-WPRPVWTQSA-N 0 0 183.251 2.065 10 0 AEAERN c1cc2c(cc1C1CC1)OCCN2 238027739 573718267 /nfs/dbraw/zinc/71/82/67/573718267.db2.gz BCFFPKLPMZZEGE-UHFFFAOYSA-N 0 0 175.231 2.368 10 0 AEAERN C[C@H](O)c1ccc(Cl)cc1O 258097509 573718320 /nfs/dbraw/zinc/71/83/20/573718320.db2.gz XJIROWQGOBQEQH-YFKPBYRVSA-N 0 0 172.611 2.099 10 0 AEAERN C[C@@H]1COc2cccc(C[C@@H](C)O)c21 258097620 573718323 /nfs/dbraw/zinc/71/83/23/573718323.db2.gz NSVKNRZTZJTHCX-RKDXNWHRSA-N 0 0 192.258 2.106 10 0 AEAERN Clc1cccc2nc(C3CC3)nn12 258097824 573718325 /nfs/dbraw/zinc/71/83/25/573718325.db2.gz XBTHMQOQYIWYOV-UHFFFAOYSA-N 0 0 193.637 2.260 10 0 AEAERN C[C@H]1CC(C)(C)C[C@@]2(COC(=O)N2)C1 83965211 573718335 /nfs/dbraw/zinc/71/83/35/573718335.db2.gz DBXKRAGBIAZATC-GZMMTYOYSA-N 0 0 197.278 2.311 10 0 AEAERN C=C=C[C@@H](O)c1ccccc1C 238494759 573718378 /nfs/dbraw/zinc/71/83/78/573718378.db2.gz WJJRHXLJFZTDOS-LLVKDONJSA-N 0 0 160.216 2.370 10 0 AEAERN COc1cc(C)cc(C2(O)CC2)c1F 258098519 573718400 /nfs/dbraw/zinc/71/84/00/573718400.db2.gz OPJNQHATMLWNEU-UHFFFAOYSA-N 0 0 196.221 2.124 10 0 AEAERN Cc1cccc2c1C[C@H](CCO)S2 258098135 573718422 /nfs/dbraw/zinc/71/84/22/573718422.db2.gz ILSDWZCGOLFUNG-VIFPVBQESA-N 0 0 194.299 2.394 10 0 AEAERN C[C@@H]1COc2cc(F)ccc21 75882990 573718443 /nfs/dbraw/zinc/71/84/43/573718443.db2.gz BOYWJGZYFRGOCD-ZCFIWIBFSA-N 0 0 152.168 2.322 10 0 AEAERN CC(C)Cc1scc(N)c1N 223316519 573718529 /nfs/dbraw/zinc/71/85/29/573718529.db2.gz RESVUTHCGOZBKR-UHFFFAOYSA-N 0 0 170.281 2.111 10 0 AEAERN Cc1ccc(F)c2cnoc12 238494966 573718618 /nfs/dbraw/zinc/71/86/18/573718618.db2.gz XSECEKUTMBVKSJ-UHFFFAOYSA-N 0 0 151.140 2.275 10 0 AEAERN CCNc1cncc(N[C@H]2C[C@H]2C)c1 122291748 573718632 /nfs/dbraw/zinc/71/86/32/573718632.db2.gz HOKNJVZKGRBLNV-KCJUWKMLSA-N 0 0 191.278 2.334 10 0 AEAERN CCNc1cncc(N[C@@H]2C[C@H]2C)c1 122291561 573718648 /nfs/dbraw/zinc/71/86/48/573718648.db2.gz HOKNJVZKGRBLNV-LDYMZIIASA-N 0 0 191.278 2.334 10 0 AEAERN CC(C)n1nnc(C2CCCC2)c1N 257855910 573718658 /nfs/dbraw/zinc/71/86/58/573718658.db2.gz PXVYSONEZVICOO-UHFFFAOYSA-N 0 0 194.282 2.099 10 0 AEAERN CCNc1cncc(N[C@@H]2C[C@@H]2C)c1 122291130 573718677 /nfs/dbraw/zinc/71/86/77/573718677.db2.gz HOKNJVZKGRBLNV-GZMMTYOYSA-N 0 0 191.278 2.334 10 0 AEAERN Nc1ccccc1[C@@H]1C[C@@H]1F 259173429 573718712 /nfs/dbraw/zinc/71/87/12/573718712.db2.gz HZEMEXHGEBLEPJ-YUMQZZPRSA-N 0 0 151.184 2.094 10 0 AEAERN Cc1oc2c(C(N)=O)cccc2c1C 238494049 573718728 /nfs/dbraw/zinc/71/87/28/573718728.db2.gz FSKKOKRODFFESG-UHFFFAOYSA-N 0 0 189.214 2.149 10 0 AEAERN Cc1ccc(O)c(C(C)(C)CO)c1C 258098667 573718741 /nfs/dbraw/zinc/71/87/41/573718741.db2.gz OQVOELBTNYRESD-UHFFFAOYSA-N 0 0 194.274 2.279 10 0 AEAERN CCC[C@]1(O)CCCS[C@H]1C 86968048 573718783 /nfs/dbraw/zinc/71/87/83/573718783.db2.gz ZJKYZCXAUGCKQA-IUCAKERBSA-N 0 0 174.309 2.433 10 0 AEAERN C[C@@H]1COc2ccc(F)cc21 75882960 573720333 /nfs/dbraw/zinc/72/03/33/573720333.db2.gz SWKSTZKLBMPEJM-ZCFIWIBFSA-N 0 0 152.168 2.322 10 0 AEAERN Cc1ccc(F)c2c1OCCC2=O 75882198 573720349 /nfs/dbraw/zinc/72/03/49/573720349.db2.gz VRJKUICDXFOTTO-UHFFFAOYSA-N 0 0 180.178 2.099 10 0 AEAERN CCc1ccccc1[C@@H]1COC(=O)N1 83965154 573720353 /nfs/dbraw/zinc/72/03/53/573720353.db2.gz CGUJZPCUAYAOJR-JTQLQIEISA-N 0 0 191.230 2.030 10 0 AEAERN CCn1ccc2cccc(CCO)c21 258105090 573720401 /nfs/dbraw/zinc/72/04/01/573720401.db2.gz KXBLSKBJPIIRPC-UHFFFAOYSA-N 0 0 189.258 2.196 10 0 AEAERN Cc1ccc(F)c2c1NC(=O)C21CC1 238494663 573720356 /nfs/dbraw/zinc/72/03/56/573720356.db2.gz AVBGQKVEBCFYGQ-UHFFFAOYSA-N 0 0 191.205 2.118 10 0 AEAERN CC[C@@H](NN)c1ccc(C)c(F)c1 97501476 573720746 /nfs/dbraw/zinc/72/07/46/573720746.db2.gz UIZLLSUASQRXFW-SNVBAGLBSA-N 0 0 182.242 2.049 10 0 AEAERN Oc1cccc([C@@]2(F)CCCOC2)c1 257855967 573719578 /nfs/dbraw/zinc/71/95/78/573719578.db2.gz QABYNNLOKPBTAN-LLVKDONJSA-N 0 0 196.221 2.367 10 0 AEAERN Cc1cc([C@@H]2COC(=O)N2)c(C)s1 83965978 573719599 /nfs/dbraw/zinc/71/95/99/573719599.db2.gz HIZOLDVXLSPUPL-QMMMGPOBSA-N 0 0 197.259 2.146 10 0 AEAERN Cc1cc(O)c2oc(C)cc(=O)c2c1 238494514 573719600 /nfs/dbraw/zinc/71/96/00/573719600.db2.gz XRGCBFZRXLXSHY-UHFFFAOYSA-N 0 0 190.198 2.115 10 0 AEAERN Cc1ccc([C@@H]2COC(=O)N2)c(C)c1 83965512 573719605 /nfs/dbraw/zinc/71/96/05/573719605.db2.gz BIXUZLFEJJUVKU-JTQLQIEISA-N 0 0 191.230 2.084 10 0 AEAERN CC[C@]1(O)CSCCC1(C)C 86972767 573719634 /nfs/dbraw/zinc/71/96/34/573719634.db2.gz VWUDVSWJHAILBU-VIFPVBQESA-N 0 0 174.309 2.291 10 0 AEAERN CC[C@@]1(O)CSCCC1(C)C 86972769 573719648 /nfs/dbraw/zinc/71/96/48/573719648.db2.gz VWUDVSWJHAILBU-SECBINFHSA-N 0 0 174.309 2.291 10 0 AEAERN Cc1oc2c(O)cccc2c(=O)c1C 238494690 573719650 /nfs/dbraw/zinc/71/96/50/573719650.db2.gz SKQUHHAOOFRYKQ-UHFFFAOYSA-N 0 0 190.198 2.115 10 0 AEAERN C/C(=C\C[C@@H]1CCCCC1=O)CO 238043950 573720377 /nfs/dbraw/zinc/72/03/77/573720377.db2.gz GVGWCLJWQCQGAK-ZKXNXJMVSA-N 0 0 182.263 2.074 10 0 AEAERN C[C@]1(C2CCCCC2)COC(=O)N1 83965990 573719658 /nfs/dbraw/zinc/71/96/58/573719658.db2.gz MLOJUQUREJNDFG-SNVBAGLBSA-N 0 0 183.251 2.065 10 0 AEAERN CC[C@H]1CCC[C@@]2(CC1)COC(=O)N2 83965848 573719685 /nfs/dbraw/zinc/71/96/85/573719685.db2.gz NZFJTIOUHJEGQJ-GXSJLCMTSA-N 0 0 197.278 2.455 10 0 AEAERN Cc1cn(C)c(N2CCCCCC2)n1 257856385 573719719 /nfs/dbraw/zinc/71/97/19/573719719.db2.gz DIZZPLKGBYMEHE-UHFFFAOYSA-N 0 0 193.294 2.109 10 0 AEAERN C[C@H]1CCC[C@@]2(CC1)COC(=O)N2 83965443 573719737 /nfs/dbraw/zinc/71/97/37/573719737.db2.gz FZXIZTYLZPUJTC-WCBMZHEXSA-N 0 0 183.251 2.065 10 0 AEAERN Cc1ncccc1OC1CCC1 238493974 573719738 /nfs/dbraw/zinc/71/97/38/573719738.db2.gz MOOWPRSFKMWJBK-UHFFFAOYSA-N 0 0 163.220 2.321 10 0 AEAERN CC1(C)CCSC[C@]1(O)C1CC1 86973073 573719779 /nfs/dbraw/zinc/71/97/79/573719779.db2.gz UIDHMCRRNMIBIF-JTQLQIEISA-N 0 0 186.320 2.291 10 0 AEAERN Nc1ccc([C@]2(F)CCCOC2)cc1 257855868 573719789 /nfs/dbraw/zinc/71/97/89/573719789.db2.gz PWABTSXVGZHVHL-NSHDSACASA-N 0 0 195.237 2.244 10 0 AEAERN C[C@@H]1CCC[C@@]2(CC1)COC(=O)N2 83965441 573720386 /nfs/dbraw/zinc/72/03/86/573720386.db2.gz FZXIZTYLZPUJTC-PSASIEDQSA-N 0 0 183.251 2.065 10 0 AEAERN C[C@H]1COc2c(F)cc(F)cc21 75882981 573720389 /nfs/dbraw/zinc/72/03/89/573720389.db2.gz OIIXPZSDSCYFPD-YFKPBYRVSA-N 0 0 170.158 2.461 10 0 AEAERN c1cc2c(cc1OC1CC1)NCCO2 238028234 573719847 /nfs/dbraw/zinc/71/98/47/573719847.db2.gz YNHQJAAURARJIW-UHFFFAOYSA-N 0 0 191.230 2.032 10 0 AEAERN Nc1ccccc1[C@H]1C[C@@H]1F 259173425 573719877 /nfs/dbraw/zinc/71/98/77/573719877.db2.gz HZEMEXHGEBLEPJ-SFYZADRCSA-N 0 0 151.184 2.094 10 0 AEAERN Cc1oc2c(O)ccc(O)c2c1C 238494669 573719881 /nfs/dbraw/zinc/71/98/81/573719881.db2.gz HORXCPNKDPFPFY-UHFFFAOYSA-N 0 0 178.187 2.461 10 0 AEAERN CC[C@H]1CCC[C@]2(CC1)COC(=O)N2 83965853 573719883 /nfs/dbraw/zinc/71/98/83/573719883.db2.gz NZFJTIOUHJEGQJ-ONGXEEELSA-N 0 0 197.278 2.455 10 0 AEAERN CC1(C)[C@H]2CC=CCC(=O)[C@@H]21 197532638 573719884 /nfs/dbraw/zinc/71/98/84/573719884.db2.gz JXXJBUVBCKPLFH-IONNQARKSA-N 0 0 150.221 2.178 10 0 AEAERN Cc1ccc(C)c([C@@H]2COC(=O)N2)c1 83965430 573719892 /nfs/dbraw/zinc/71/98/92/573719892.db2.gz FNZYJMXIOLZGQI-JTQLQIEISA-N 0 0 191.230 2.084 10 0 AEAERN OCC(F)(F)CC1CCCC1 258512619 573719896 /nfs/dbraw/zinc/71/98/96/573719896.db2.gz LLYTVISPBBCLFU-UHFFFAOYSA-N 0 0 164.195 2.194 10 0 AEAERN Cc1nc(C(F)F)c(F)cc1O 238494068 573720490 /nfs/dbraw/zinc/72/04/90/573720490.db2.gz MHJSLMKFINROPN-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN Nc1ccc2c3c(cccc13)CN2 258105909 573720729 /nfs/dbraw/zinc/72/07/29/573720729.db2.gz YIWKTIOATZOWRD-UHFFFAOYSA-N 0 0 170.215 2.348 10 0 AEAERN CC1(C)CSC[C@@](O)(C2CC2)C1 86978041 573719987 /nfs/dbraw/zinc/71/99/87/573719987.db2.gz RJIHXLXFPQRGBI-SNVBAGLBSA-N 0 0 186.320 2.291 10 0 AEAERN Cc1ccc([Si](C)(C)C)cc1N 238494883 573720012 /nfs/dbraw/zinc/72/00/12/573720012.db2.gz ZKRZVRGUFJCHNN-UHFFFAOYSA-N 0 0 179.339 2.122 10 0 AEAERN Cc1nc(C(F)F)c(F)cc1C=O 238493799 573720020 /nfs/dbraw/zinc/72/00/20/573720020.db2.gz GNGPEDDRSCTGSK-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN Cc1cc(=O)oc2c(F)ccc(F)c12 75882664 573720047 /nfs/dbraw/zinc/72/00/47/573720047.db2.gz YZPWTCUZQZBRAO-UHFFFAOYSA-N 0 0 196.152 2.380 10 0 AEAERN CCC[C@H](NN)c1cccc(C)c1 97500909 573720732 /nfs/dbraw/zinc/72/07/32/573720732.db2.gz IEYNHSPBHNNMIA-NSHDSACASA-N 0 0 178.279 2.300 10 0 AEAERN C[C@H]1C[C@@H](C)C[C@H]([C@H]2COC[C@H]2O)C1 687965382 573720100 /nfs/dbraw/zinc/72/01/00/573720100.db2.gz GLDLHROSWGYDSJ-YBXAARCKSA-N 0 0 198.306 2.066 10 0 AEAERN Oc1c[nH]c([C@H]2CCCCS2)n1 236575428 573720159 /nfs/dbraw/zinc/72/01/59/573720159.db2.gz NVADXRYNDNGUHP-ZCFIWIBFSA-N 0 0 184.264 2.074 10 0 AEAERN C[C@@H](O)[C@H](F)CC1CCSCC1 257855894 573720181 /nfs/dbraw/zinc/72/01/81/573720181.db2.gz PXDYADQIDVYYET-VXNVDRBHSA-N 0 0 192.299 2.239 10 0 AEAERN Cc1cc(=O)c2cc(N)cc(C)c2[nH]1 238493890 573720199 /nfs/dbraw/zinc/72/01/99/573720199.db2.gz CFBVDEADMTWUKE-UHFFFAOYSA-N 0 0 188.230 2.139 10 0 AEAERN Cc1cc2c(=O)[nH]c(C)c(Cl)c2o1 238494349 573720215 /nfs/dbraw/zinc/72/02/15/573720215.db2.gz DCGFETTVHPQZMF-UHFFFAOYSA-N 0 0 197.621 2.391 10 0 AEAERN Cc1ccc(F)c2c1O[C@@H](C)CC2=O 75882221 573720217 /nfs/dbraw/zinc/72/02/17/573720217.db2.gz SGBBICGRBNZNGH-ZETCQYMHSA-N 0 0 194.205 2.488 10 0 AEAERN C[C@@H]1CCC[C@]2(CC1)COC(=O)N2 83965445 573720266 /nfs/dbraw/zinc/72/02/66/573720266.db2.gz FZXIZTYLZPUJTC-SCZZXKLOSA-N 0 0 183.251 2.065 10 0 AEAERN Cc1cc([C@@](C)(O)CC(C)C)sn1 642834846 573720311 /nfs/dbraw/zinc/72/03/11/573720311.db2.gz YFOTVWQBFLXDFX-JTQLQIEISA-N 0 0 199.319 2.422 10 0 AEAERN Cc1cc(=O)oc2c(F)cc(F)cc12 75882662 573720431 /nfs/dbraw/zinc/72/04/31/573720431.db2.gz IUFRDSNQJCPBTB-UHFFFAOYSA-N 0 0 196.152 2.380 10 0 AEAERN Cc1[nH]c2c(C)ccc(F)c2c1CO 238494475 573720460 /nfs/dbraw/zinc/72/04/60/573720460.db2.gz RYBQRSWEKGQTJP-UHFFFAOYSA-N 0 0 193.221 2.416 10 0 AEAERN c1cnc2c(c1)[C@H]1CCC[C@H]1N2 238043365 573720774 /nfs/dbraw/zinc/72/07/74/573720774.db2.gz ZWTJMBJQJBZQJB-VXNVDRBHSA-N 0 0 160.220 2.143 10 0 AEAERN C[C@@H]1CC(C)(C)C[C@@]2(COC(=O)N2)C1 83965208 573720527 /nfs/dbraw/zinc/72/05/27/573720527.db2.gz DBXKRAGBIAZATC-LDYMZIIASA-N 0 0 197.278 2.311 10 0 AEAERN C[C@@H](O)[C@@H](F)CC1CCSCC1 257855891 573720532 /nfs/dbraw/zinc/72/05/32/573720532.db2.gz PXDYADQIDVYYET-APPZFPTMSA-N 0 0 192.299 2.239 10 0 AEAERN Cc1cc([C@H]2COC(=O)N2)c(C)s1 83965981 573720535 /nfs/dbraw/zinc/72/05/35/573720535.db2.gz HIZOLDVXLSPUPL-MRVPVSSYSA-N 0 0 197.259 2.146 10 0 AEAERN CCCC[C@H](O)/C=C\C(F)F 223295210 573720544 /nfs/dbraw/zinc/72/05/44/573720544.db2.gz QWDVXAIHTCFBAG-RBSILHGTSA-N 0 0 164.195 2.359 10 0 AEAERN Cc1cccc([C@@H]2COC(=O)N2)c1C 83965417 573720549 /nfs/dbraw/zinc/72/05/49/573720549.db2.gz GVBUPJABBHWNCH-JTQLQIEISA-N 0 0 191.230 2.084 10 0 AEAERN Cc1ncccc1[C@@H]1CCCC1=O 238494882 573720551 /nfs/dbraw/zinc/72/05/51/573720551.db2.gz NYTCMTNCXRNILF-JTQLQIEISA-N 0 0 175.231 2.227 10 0 AEAERN CCc1ccc([C@H]2COC(=O)N2)s1 83965455 573720570 /nfs/dbraw/zinc/72/05/70/573720570.db2.gz QOHYUISMFGNFSQ-SSDOTTSWSA-N 0 0 197.259 2.091 10 0 AEAERN CC(C)(C)[C@@H](O)c1ccc(O)cc1N 257856805 573720608 /nfs/dbraw/zinc/72/06/08/573720608.db2.gz QATMGFBTEUXVOO-JTQLQIEISA-N 0 0 195.262 2.054 10 0 AEAERN C/C(=C\CC1(O)CCCCC1)CO 238043223 573720609 /nfs/dbraw/zinc/72/06/09/573720609.db2.gz OVHNWSPUJBQDJJ-BJMVGYQFSA-N 0 0 184.279 2.010 10 0 AEAERN Cc1nc(-c2ccc(C)o2)c(C=O)[nH]1 83966571 573720618 /nfs/dbraw/zinc/72/06/18/573720618.db2.gz OHTXLQZMDJTWKV-UHFFFAOYSA-N 0 0 190.202 2.099 10 0 AEAERN C[C@@H]1COc2cccc(F)c21 75882986 573720643 /nfs/dbraw/zinc/72/06/43/573720643.db2.gz VWXATZIQAKCDSZ-ZCFIWIBFSA-N 0 0 152.168 2.322 10 0 AEAERN Cc1[nH]c2c(F)ccc(C)c2c1CO 238493714 573720646 /nfs/dbraw/zinc/72/06/46/573720646.db2.gz XIYVDXKOBWOCHF-UHFFFAOYSA-N 0 0 193.221 2.416 10 0 AEAERN O=C1N[C@@]2(CCC[C@@H](C3CC3)C2)CO1 83966004 573720666 /nfs/dbraw/zinc/72/06/66/573720666.db2.gz SITXMWMPMMNUJT-MWLCHTKSSA-N 0 0 195.262 2.065 10 0 AEAERN C[C@@]1(CO)CCCC2=C1CCCO2 238493522 573720667 /nfs/dbraw/zinc/72/06/67/573720667.db2.gz YDSOUNZOVBXLGB-NSHDSACASA-N 0 0 182.263 2.233 10 0 AEAERN C/C=C/[C@@H]1OC(=O)N[C@H]1CC(C)C 238043471 573720683 /nfs/dbraw/zinc/72/06/83/573720683.db2.gz NJMSPSGZOSESSK-HXQNXIEXSA-N 0 0 183.251 2.086 10 0 AEAERN CC(C)(C)OC(=O)[C@H]1CC12CC2 215329170 573720758 /nfs/dbraw/zinc/72/07/58/573720758.db2.gz UMBGEBDJXBKBBO-SSDOTTSWSA-N 0 0 168.236 2.128 10 0 AEAERN Cc1cc(=O)oc2cccc(F)c12 75882665 573721582 /nfs/dbraw/zinc/72/15/82/573721582.db2.gz WIXBYBCHEAEHPP-UHFFFAOYSA-N 0 0 178.162 2.241 10 0 AEAERN Cc1cc(O)cc2ccn(C)c12 258512681 573721605 /nfs/dbraw/zinc/72/16/05/573721605.db2.gz LNSJEGDBGGXQDL-UHFFFAOYSA-N 0 0 161.204 2.192 10 0 AEAERN C[C@H](O)Cc1coc2cc(O)ccc12 257856952 573721609 /nfs/dbraw/zinc/72/16/09/573721609.db2.gz FYOPVMOXLBCDGT-ZETCQYMHSA-N 0 0 192.214 2.062 10 0 AEAERN CCCC1CCC2(CC1)COC(=O)N2 83965176 573721613 /nfs/dbraw/zinc/72/16/13/573721613.db2.gz HQYGVCYJDOQREC-UHFFFAOYSA-N 0 0 197.278 2.455 10 0 AEAERN O[C@]1(C2=CCCCCC2)CCCOC1 236584780 573721758 /nfs/dbraw/zinc/72/17/58/573721758.db2.gz RFWGZHMJTDVMQZ-GFCCVEGCSA-N 0 0 196.290 2.418 10 0 AEAERN Cc1coc(C(=O)[C@H]2CCCOC2)c1 716117248 573723147 /nfs/dbraw/zinc/72/31/47/573723147.db2.gz XCMFCLLXEVWTNV-VIFPVBQESA-N 0 0 194.230 2.197 10 0 AEAERN C/C=C/[C@@H]1NC(=O)O[C@@H](C)[C@@H]1C(C)C 238042706 573721533 /nfs/dbraw/zinc/72/15/33/573721533.db2.gz NSHKNTMAZVDUEQ-JKNZDJNPSA-N 0 0 197.278 2.332 10 0 AEAERN CCC1CCC2(CC1)COC(=O)N2 83965920 573721541 /nfs/dbraw/zinc/72/15/41/573721541.db2.gz BKALROQJUBVRMT-UHFFFAOYSA-N 0 0 183.251 2.065 10 0 AEAERN Cc1coc2cc(F)cc(F)c2c1=O 75882007 573721569 /nfs/dbraw/zinc/72/15/69/573721569.db2.gz JWLJQLKRYXUDGX-UHFFFAOYSA-N 0 0 196.152 2.380 10 0 AEAERN C[C@H]1CC(C)(C)C[C@]2(COC(=O)N2)C1 83965206 573721670 /nfs/dbraw/zinc/72/16/70/573721670.db2.gz DBXKRAGBIAZATC-KWQFWETISA-N 0 0 197.278 2.311 10 0 AEAERN CCOC(=N)CCC(F)(F)F 86980648 573721695 /nfs/dbraw/zinc/72/16/95/573721695.db2.gz LADXLFHXXDSTIP-UHFFFAOYSA-N 0 0 169.146 2.343 10 0 AEAERN C/C=C/[C@@H]1O[C@H](O)c2ccccc21 238044456 573721698 /nfs/dbraw/zinc/72/16/98/573721698.db2.gz NKFKGNRCIQVTII-GGYDMKNQSA-N 0 0 176.215 2.325 10 0 AEAERN Cc1ccc2c(c1)C=CC[C@H](O)C2 238495173 573721702 /nfs/dbraw/zinc/72/17/02/573721702.db2.gz UQPMRVYFGRMAER-LBPRGKRZSA-N 0 0 174.243 2.315 10 0 AEAERN CC1(C)CCC[C@@]2(COC(=O)N2)C1 83965280 573721703 /nfs/dbraw/zinc/72/17/03/573721703.db2.gz BAAXRYYVWHRSKR-JTQLQIEISA-N 0 0 183.251 2.065 10 0 AEAERN CCOCc1ccc(O)cc1F 258104057 573721704 /nfs/dbraw/zinc/72/17/04/573721704.db2.gz KWOVRVYUWZJEDV-UHFFFAOYSA-N 0 0 170.183 2.068 10 0 AEAERN Cc1cc(=O)oc2cc(F)cc(F)c12 75882667 573721718 /nfs/dbraw/zinc/72/17/18/573721718.db2.gz OAGHUOOCQBDZLI-UHFFFAOYSA-N 0 0 196.152 2.380 10 0 AEAERN C[C@H]1COc2cccc(F)c21 75882988 573721724 /nfs/dbraw/zinc/72/17/24/573721724.db2.gz VWXATZIQAKCDSZ-LURJTMIESA-N 0 0 152.168 2.322 10 0 AEAERN CC1(C)CSC[C@](O)(C2CC2)C1 86978043 573721729 /nfs/dbraw/zinc/72/17/29/573721729.db2.gz RJIHXLXFPQRGBI-JTQLQIEISA-N 0 0 186.320 2.291 10 0 AEAERN C[C@@]1(C2CCCCC2)COC(=O)N1 83965992 573721747 /nfs/dbraw/zinc/72/17/47/573721747.db2.gz MLOJUQUREJNDFG-JTQLQIEISA-N 0 0 183.251 2.065 10 0 AEAERN CC[C@@H]1CCCC[C@@]12COC(=O)N2 83965689 573721778 /nfs/dbraw/zinc/72/17/78/573721778.db2.gz HTXQVPRUHVWRCH-PSASIEDQSA-N 0 0 183.251 2.065 10 0 AEAERN Cc1ccc(F)c2[nH]c(=O)sc12 238495287 573721781 /nfs/dbraw/zinc/72/17/81/573721781.db2.gz VRGUYYXXUQDWIR-UHFFFAOYSA-N 0 0 183.207 2.449 10 0 AEAERN Cc1ccc(C)c([C@H]2COC(=O)N2)c1 83965431 573721783 /nfs/dbraw/zinc/72/17/83/573721783.db2.gz FNZYJMXIOLZGQI-SNVBAGLBSA-N 0 0 191.230 2.084 10 0 AEAERN Cc1cccc([C@H]2COC(=O)N2)c1C 83965419 573721796 /nfs/dbraw/zinc/72/17/96/573721796.db2.gz GVBUPJABBHWNCH-SNVBAGLBSA-N 0 0 191.230 2.084 10 0 AEAERN CC(C)c1ccc(O)c(CCO)c1 258103830 573721818 /nfs/dbraw/zinc/72/18/18/573721818.db2.gz YEGANGZEZJUSFJ-UHFFFAOYSA-N 0 0 180.247 2.050 10 0 AEAERN CCSCc1cc(N)n(C(C)C)n1 257855571 573721845 /nfs/dbraw/zinc/72/18/45/573721845.db2.gz ARSFDBBMXUPCKN-UHFFFAOYSA-N 0 0 199.323 2.299 10 0 AEAERN O=c1ccoc2c(F)ccc(F)c12 75881972 573721899 /nfs/dbraw/zinc/72/18/99/573721899.db2.gz MVBCOJBVANLPKL-UHFFFAOYSA-N 0 0 182.125 2.071 10 0 AEAERN CCN1CCC(=O)c2cc(C)ccc21 83966297 573721910 /nfs/dbraw/zinc/72/19/10/573721910.db2.gz NFKGYYDUBLHNGC-UHFFFAOYSA-N 0 0 189.258 2.408 10 0 AEAERN c1cnc2c(c1)[C@@H]1CCC[C@H]1N2 238043341 573721921 /nfs/dbraw/zinc/72/19/21/573721921.db2.gz ZWTJMBJQJBZQJB-IONNQARKSA-N 0 0 160.220 2.143 10 0 AEAERN Cc1cc(=O)oc2c(F)cccc12 75882657 573722009 /nfs/dbraw/zinc/72/20/09/573722009.db2.gz WABSJCRBTNVLDD-UHFFFAOYSA-N 0 0 178.162 2.241 10 0 AEAERN Cc1cc(C)c2n[nH]c(C)c2c1 238495885 573722013 /nfs/dbraw/zinc/72/20/13/573722013.db2.gz LMIDTWXPJOGLBO-UHFFFAOYSA-N 0 0 160.220 2.488 10 0 AEAERN CC[C@@H]1CCCC[C@]12COC(=O)N2 83965692 573722028 /nfs/dbraw/zinc/72/20/28/573722028.db2.gz HTXQVPRUHVWRCH-SCZZXKLOSA-N 0 0 183.251 2.065 10 0 AEAERN Cc1coc2cccc(F)c2c1=O 75882004 573722036 /nfs/dbraw/zinc/72/20/36/573722036.db2.gz DDLAWYCKZZZHHQ-UHFFFAOYSA-N 0 0 178.162 2.241 10 0 AEAERN Cc1ccc2c(c1)N[C@H]1OCC[C@]21C 238495828 573722041 /nfs/dbraw/zinc/72/20/41/573722041.db2.gz FHSLYPSAUFRAQO-NWDGAFQWSA-N 0 0 189.258 2.425 10 0 AEAERN CC[C@H](OC)c1nccs1 142981863 573722070 /nfs/dbraw/zinc/72/20/70/573722070.db2.gz SCWHSVUYVYDAHK-LURJTMIESA-N 0 0 157.238 2.241 10 0 AEAERN O=c1ccc2cc(F)cc(F)c2o1 75882720 573722072 /nfs/dbraw/zinc/72/20/72/573722072.db2.gz DYPYPSYGMBGXCM-UHFFFAOYSA-N 0 0 182.125 2.071 10 0 AEAERN Cc1nc(C(F)F)c(O)cc1F 238495964 573722075 /nfs/dbraw/zinc/72/20/75/573722075.db2.gz BCTJKJXPOSVTRL-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN Cc1nc(C(F)F)c(N)cc1F 238495362 573722085 /nfs/dbraw/zinc/72/20/85/573722085.db2.gz GRCDZGDKITWUCX-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN Cc1cc(CNO)c(C)c(C)c1C 258103886 573722114 /nfs/dbraw/zinc/72/21/14/573722114.db2.gz YFWBFBIVXBXMOT-UHFFFAOYSA-N 0 0 179.263 2.399 10 0 AEAERN OC/C=C/c1ccc(C(F)(F)F)o1 142968735 573722147 /nfs/dbraw/zinc/72/21/47/573722147.db2.gz APKNTWXGPXZIFC-OWOJBTEDSA-N 0 0 192.136 2.304 10 0 AEAERN O=Cc1cccc(C2(O)CCCC2)c1 257856897 573722158 /nfs/dbraw/zinc/72/21/58/573722158.db2.gz QDNDDRUIMCRPOL-UHFFFAOYSA-N 0 0 190.242 2.261 10 0 AEAERN O=C1N[C@]2(CCC[C@@H](C3CC3)C2)CO1 83966000 573722175 /nfs/dbraw/zinc/72/21/75/573722175.db2.gz SITXMWMPMMNUJT-KOLCDFICSA-N 0 0 195.262 2.065 10 0 AEAERN C=CC1=NC(=O)NC2(CCCCC2)C1 238044723 573722181 /nfs/dbraw/zinc/72/21/81/573722181.db2.gz HXEMDDCYMJJLCQ-UHFFFAOYSA-N 0 0 192.262 2.072 10 0 AEAERN CC1(C)CCC2(CC1)COC(=O)N2 83965571 573722185 /nfs/dbraw/zinc/72/21/85/573722185.db2.gz KCAWSRGVQBVDFF-UHFFFAOYSA-N 0 0 183.251 2.065 10 0 AEAERN Nc1cccc(-c2ncccc2F)c1 142932941 573722187 /nfs/dbraw/zinc/72/21/87/573722187.db2.gz FBXQXUFTUWMKLO-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN CC(=O)N1[C@H](C)C[C@H](C)CC1(C)C 238495203 573722195 /nfs/dbraw/zinc/72/21/95/573722195.db2.gz OZZVGOWTLVHLBW-DTWKUNHWSA-N 0 0 183.295 2.432 10 0 AEAERN C[C@@H]1COc2cc(F)cc(F)c21 75882993 573722225 /nfs/dbraw/zinc/72/22/25/573722225.db2.gz VAGSRJMUBXTDIG-RXMQYKEDSA-N 0 0 170.158 2.461 10 0 AEAERN Cc1ccc2c(c1)N[C@H]1OCC[C@@]21C 238495839 573722308 /nfs/dbraw/zinc/72/23/08/573722308.db2.gz FHSLYPSAUFRAQO-RYUDHWBXSA-N 0 0 189.258 2.425 10 0 AEAERN O[C@]1(CCC2CC2)CCSC1 236586612 573722309 /nfs/dbraw/zinc/72/23/09/573722309.db2.gz FZFUCNAFTHBUEE-SECBINFHSA-N 0 0 172.293 2.045 10 0 AEAERN CCSc1nc(C)cn1CC 257856324 573722333 /nfs/dbraw/zinc/72/23/33/573722333.db2.gz DHAUPHXPESVFLM-UHFFFAOYSA-N 0 0 170.281 2.323 10 0 AEAERN NOCc1cc2ccccc2s1 258104870 573722358 /nfs/dbraw/zinc/72/23/58/573722358.db2.gz ITLFSJUWNGPMKH-UHFFFAOYSA-N 0 0 179.244 2.292 10 0 AEAERN Cc1oc2cc(O)ccc2c1N 238495096 573722364 /nfs/dbraw/zinc/72/23/64/573722364.db2.gz BORPQUMXCQCUCT-UHFFFAOYSA-N 0 0 163.176 2.029 10 0 AEAERN Cc1ccsc1[C@H](F)CO 108284791 573722422 /nfs/dbraw/zinc/72/24/22/573722422.db2.gz 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/nfs/dbraw/zinc/72/92/12/573729212.db2.gz NNUFQWPWBZHVDO-VIFPVBQESA-N 0 0 177.247 2.468 10 0 AEAERN CCc1cc(N)cc(Cl)c1 143072681 573729243 /nfs/dbraw/zinc/72/92/43/573729243.db2.gz OEWSOJSZVACWAD-UHFFFAOYSA-N 0 0 155.628 2.485 10 0 AEAERN COc1[nH]c(C)cc2cccc(=O)c1-2 258417293 573729343 /nfs/dbraw/zinc/72/93/43/573729343.db2.gz ZZATVTRZHRTMEI-UHFFFAOYSA-N 0 0 189.214 2.257 10 0 AEAERN OCC[C@@H]1CCCc2cc(O)ccc21 257852583 573729739 /nfs/dbraw/zinc/72/97/39/573729739.db2.gz PGZFTEKRIIBRLH-VIFPVBQESA-N 0 0 192.258 2.195 10 0 AEAERN C=C/C=C/[C@H](C)[C@@H](O)/C=C/C 238057204 573729385 /nfs/dbraw/zinc/72/93/85/573729385.db2.gz OGNUUBQOAAMICC-HXEMQSDVSA-N 0 0 152.237 2.302 10 0 AEAERN COc1c(C2(O)CC2)ccc(F)c1C 258106183 573729415 /nfs/dbraw/zinc/72/94/15/573729415.db2.gz PBVRZEBETVQMHC-UHFFFAOYSA-N 0 0 196.221 2.124 10 0 AEAERN CCc1ccc2[nH]c(OC)nc2c1 124975380 573729465 /nfs/dbraw/zinc/72/94/65/573729465.db2.gz PMGOLJHRKBZSKX-UHFFFAOYSA-N 0 0 176.219 2.134 10 0 AEAERN Cc1ccc(Cl)c(C)c1CO 143092233 573729482 /nfs/dbraw/zinc/72/94/82/573729482.db2.gz KZIOLDGTYMRXBD-UHFFFAOYSA-N 0 0 170.639 2.449 10 0 AEAERN O[C@H]1CC=C(C(F)(F)F)CC1 108285766 573729508 /nfs/dbraw/zinc/72/95/08/573729508.db2.gz IYOACPADVUMZJN-LURJTMIESA-N 0 0 166.142 2.020 10 0 AEAERN OC[C@H]1CSc2ccccc2S1 143070361 573729518 /nfs/dbraw/zinc/72/95/18/573729518.db2.gz ULEKISMOVMLDEN-ZETCQYMHSA-N 0 0 198.312 2.245 10 0 AEAERN COc1ccc(F)c(C)c1[C@H](C)CO 258108666 573729564 /nfs/dbraw/zinc/72/95/64/573729564.db2.gz LFTKQEAPNDLEHW-SSDOTTSWSA-N 0 0 198.237 2.239 10 0 AEAERN Cc1[nH]c2ccccc2c1/C=C/N 238488432 573729566 /nfs/dbraw/zinc/72/95/66/573729566.db2.gz HTGWOQJLLHZNPN-VOTSOKGWSA-N 0 0 172.231 2.406 10 0 AEAERN COCc1cn(C)c2c(O)cccc12 257851525 573729626 /nfs/dbraw/zinc/72/96/26/573729626.db2.gz BUVFCTCVHSXTDT-UHFFFAOYSA-N 0 0 191.230 2.030 10 0 AEAERN C/C=C/[C@H](O)[C@@H]1C=CCCC1 238059516 573729662 /nfs/dbraw/zinc/72/96/62/573729662.db2.gz AVFZWBABFSPVSH-GLWCVISYSA-N 0 0 152.237 2.280 10 0 AEAERN Nc1ccc(-c2coc(N)c2)cc1 258107149 573729678 /nfs/dbraw/zinc/72/96/78/573729678.db2.gz LALOYIOXKSFZFK-UHFFFAOYSA-N 0 0 174.203 2.111 10 0 AEAERN OCC[C@@H]1CCCC(F)(F)C1 108285285 573729699 /nfs/dbraw/zinc/72/96/99/573729699.db2.gz DDSUUGUYGRVICZ-ZETCQYMHSA-N 0 0 164.195 2.194 10 0 AEAERN C/C=C/[C@H](O)c1cnccc1Cl 238060339 573729732 /nfs/dbraw/zinc/72/97/32/573729732.db2.gz AADURCCGLYDOCE-HPOULIHZSA-N 0 0 183.638 2.345 10 0 AEAERN Cc1c(F)cc(CNO)cc1Cl 258108651 573729770 /nfs/dbraw/zinc/72/97/70/573729770.db2.gz PKAMKUPIRGPTQU-UHFFFAOYSA-N 0 0 189.617 2.266 10 0 AEAERN Cc1cc(-c2ccc(C=O)cc2)ncn1 257852173 573729804 /nfs/dbraw/zinc/72/98/04/573729804.db2.gz MXALXPKTIZDJIU-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN Cc1ncc(-c2cccc(N)c2)c(C)n1 257852760 573729914 /nfs/dbraw/zinc/72/99/14/573729914.db2.gz NACYYVRUKXLXFB-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1ccc2c(c1)[C@@]1(C)CCO[C@@H]1N2 238488160 573730043 /nfs/dbraw/zinc/73/00/43/573730043.db2.gz ORKRDXNBRUKGOD-NWDGAFQWSA-N 0 0 189.258 2.425 10 0 AEAERN CC(=O)CCn1c(C)ccc1C 108285657 573730075 /nfs/dbraw/zinc/73/00/75/573730075.db2.gz RJHVPWFXAAFVJN-UHFFFAOYSA-N 0 0 165.236 2.084 10 0 AEAERN C/C=C(/C)CC[C@@H](C)O 238059947 573730089 /nfs/dbraw/zinc/73/00/89/573730089.db2.gz BAQTZFHVKJOFMI-RBMBQVQZSA-N 0 0 128.215 2.114 10 0 AEAERN O[C@H]1Cc2c(Br)cccc21 257852201 573730093 /nfs/dbraw/zinc/73/00/93/573730093.db2.gz MXXYPWRQHKQYDN-QMMMGPOBSA-N 0 0 199.047 2.039 10 0 AEAERN CC(=O)C1(OCl)CCCCC1 238057477 573730123 /nfs/dbraw/zinc/73/01/23/573730123.db2.gz HGIXOQMAJHYYKL-UHFFFAOYSA-N 0 0 176.643 2.449 10 0 AEAERN CC[C@@H](NN)C1CCC(C)(C)CC1 97557598 573730200 /nfs/dbraw/zinc/73/02/00/573730200.db2.gz XLFGFFIQQZBLSF-SNVBAGLBSA-N 0 0 184.327 2.445 10 0 AEAERN OCC[C@H]1CCCC(F)(F)C1 108285281 573730214 /nfs/dbraw/zinc/73/02/14/573730214.db2.gz DDSUUGUYGRVICZ-SSDOTTSWSA-N 0 0 164.195 2.194 10 0 AEAERN Cc1cc(=O)[nH]c(C)c1C(F)F 238487503 573730232 /nfs/dbraw/zinc/73/02/32/573730232.db2.gz RETDKBVTRKXDIY-UHFFFAOYSA-N 0 0 173.162 2.342 10 0 AEAERN CC/C=C/C(=O)OCc1ccco1 308430019 573734533 /nfs/dbraw/zinc/73/45/33/573734533.db2.gz SUZBWRJBMSEHIA-ZZXKWVIFSA-N 0 0 180.203 2.289 10 0 AEAERN O=Cc1ccccc1-c1ncco1 108290297 573734208 /nfs/dbraw/zinc/73/42/08/573734208.db2.gz DCTHLGKJJHEUIP-UHFFFAOYSA-N 0 0 173.171 2.154 10 0 AEAERN CCOC/C(Cl)=C\Cl 78168547 573734450 /nfs/dbraw/zinc/73/44/50/573734450.db2.gz HFZSBDVOTXXUDF-HWKANZROSA-N 0 0 155.024 2.342 10 0 AEAERN CCc1cc(CC2(O)CC2)ccc1F 258111042 573732673 /nfs/dbraw/zinc/73/26/73/573732673.db2.gz PQNUTNSOUDFDNG-UHFFFAOYSA-N 0 0 194.249 2.456 10 0 AEAERN Cc1ccc(CCO)c2c1CCC2 258112175 573734460 /nfs/dbraw/zinc/73/44/60/573734460.db2.gz ZBPQBGOTEFRDOW-UHFFFAOYSA-N 0 0 176.259 2.019 10 0 AEAERN CC/C=C/C=C\[C@@H]1C[C@H]1CO 393557843 573732733 /nfs/dbraw/zinc/73/27/33/573732733.db2.gz ROUVIPPSCZXPNA-RMLJKSOSSA-N 0 0 152.237 2.137 10 0 AEAERN Cc1cc(CO)ccc1OC(F)F 238489509 573732739 /nfs/dbraw/zinc/73/27/39/573732739.db2.gz RAWTVOXYHDJYOW-UHFFFAOYSA-N 0 0 188.173 2.089 10 0 AEAERN CC(=O)c1cnc([C@H]2CCSC2)o1 258110847 573732818 /nfs/dbraw/zinc/73/28/18/573732818.db2.gz OAEXZVQAONONNQ-ZETCQYMHSA-N 0 0 197.259 2.098 10 0 AEAERN Cc1ccc2c(c1)N[C@H]1CC=C[C@H]1O2 238488894 573732847 /nfs/dbraw/zinc/73/28/47/573732847.db2.gz RWKJRQXRWLPSQB-GXSJLCMTSA-N 0 0 187.242 2.496 10 0 AEAERN C[C@H]1CCC(=O)c2ccccc2N1 238489779 573732855 /nfs/dbraw/zinc/73/28/55/573732855.db2.gz ZQUQFUBNVHJXIX-QMMMGPOBSA-N 0 0 175.231 2.464 10 0 AEAERN Cc1ccc(F)c(C(F)F)n1 238489308 573732948 /nfs/dbraw/zinc/73/29/48/573732948.db2.gz JNAMPIQTDGDPAB-UHFFFAOYSA-N 0 0 161.126 2.467 10 0 AEAERN COC(=O)[C@@H](F)Cc1ccccc1C 257851890 573732989 /nfs/dbraw/zinc/73/29/89/573732989.db2.gz PDHFKJMVAHNIKG-JTQLQIEISA-N 0 0 196.221 2.049 10 0 AEAERN C[C@@H](O)CC(C)(C)Cn1cccc1 393558033 573733025 /nfs/dbraw/zinc/73/30/25/573733025.db2.gz TWTRMCSTCXDIGJ-SNVBAGLBSA-N 0 0 181.279 2.285 10 0 AEAERN COC(Cc1ccc(C)cc1C)OC 393558644 573733068 /nfs/dbraw/zinc/73/30/68/573733068.db2.gz VBCAJZMNJNWTEV-UHFFFAOYSA-N 0 0 194.274 2.465 10 0 AEAERN CC(=O)c1cc2c(cc1O)OC[C@@H]2C 238489134 573733069 /nfs/dbraw/zinc/73/30/69/573733069.db2.gz KUYIFMVLLIYHCL-LURJTMIESA-N 0 0 192.214 2.091 10 0 AEAERN O=C1C[C@@H]2C[C@H]3CCCC=C3[C@@H]12 144767931 573733105 /nfs/dbraw/zinc/73/31/05/573733105.db2.gz BUCLNBMXHQRFRX-FYBVGQRMSA-N 0 0 162.232 2.322 10 0 AEAERN C[Si](C)(C)[C@@H]1CC[C@H](O)C1 223393996 573733122 /nfs/dbraw/zinc/73/31/22/573733122.db2.gz GOCIWDNEDJGWLL-JGVFFNPUSA-N 0 0 158.317 2.240 10 0 AEAERN C[C@H](F)c1cccc(CCO)c1 258109700 573733124 /nfs/dbraw/zinc/73/31/24/573733124.db2.gz YWHULDKVYJQLAY-QMMMGPOBSA-N 0 0 168.211 2.252 10 0 AEAERN CO[C@H]1CNc2c(Cl)cccc2C1 257851821 573733141 /nfs/dbraw/zinc/73/31/41/573733141.db2.gz PAJBDMXSSSQTKI-MRVPVSSYSA-N 0 0 197.665 2.323 10 0 AEAERN CCOCc1c[nH]c2c(N)cccc12 257852288 573733202 /nfs/dbraw/zinc/73/32/02/573733202.db2.gz CAAPRVBRJCJUAF-UHFFFAOYSA-N 0 0 190.246 2.287 10 0 AEAERN Cc1c[n+]([O-])c(C)c2ccccc12 238489335 573733220 /nfs/dbraw/zinc/73/32/20/573733220.db2.gz GRFVGHKCKPUCCS-UHFFFAOYSA-N 0 0 173.215 2.090 10 0 AEAERN O=C1CCC[C@H]2C=CC[C@@H]2C1 223369691 573733251 /nfs/dbraw/zinc/73/32/51/573733251.db2.gz VGYPTNCRXLJWIQ-RKDXNWHRSA-N 0 0 150.221 2.322 10 0 AEAERN O=C1CCC[C@H]2C=CC[C@H]2C1 223369809 573733331 /nfs/dbraw/zinc/73/33/31/573733331.db2.gz VGYPTNCRXLJWIQ-BDAKNGLRSA-N 0 0 150.221 2.322 10 0 AEAERN Cc1cc(CO)nc(C(F)F)c1C 238489938 573733345 /nfs/dbraw/zinc/73/33/45/573733345.db2.gz HWSBADQAUGUVJQ-UHFFFAOYSA-N 0 0 187.189 2.128 10 0 AEAERN Cc1ccc2c(c1O)OC(C)(C)C2 238489149 573733354 /nfs/dbraw/zinc/73/33/54/573733354.db2.gz MZMQLCZCBFFENC-UHFFFAOYSA-N 0 0 178.231 2.414 10 0 AEAERN Cc1ccc(CON)c(C2CC2)c1 238489611 573733373 /nfs/dbraw/zinc/73/33/73/573733373.db2.gz STHMUOCQUFIOJJ-UHFFFAOYSA-N 0 0 177.247 2.263 10 0 AEAERN Cc1cc(O)c2c(c1)OC[C@@H]2C 238489093 573734485 /nfs/dbraw/zinc/73/44/85/573734485.db2.gz XYGJEIHQUQSGFB-ZETCQYMHSA-N 0 0 164.204 2.197 10 0 AEAERN O=Cc1cnc2ccc3ccccc3n12 258111944 573733500 /nfs/dbraw/zinc/73/35/00/573733500.db2.gz OTYNOGYOKZDVBB-UHFFFAOYSA-N 0 0 196.209 2.300 10 0 AEAERN Cc1nccc(C=O)c1C(F)F 238488958 573733524 /nfs/dbraw/zinc/73/35/24/573733524.db2.gz NFAJGKGDEWCUHE-UHFFFAOYSA-N 0 0 171.146 2.140 10 0 AEAERN C/C=C\C(=O)N[C@@H](C)C1CCCC1 211149764 573733563 /nfs/dbraw/zinc/73/35/63/573733563.db2.gz AYCXVIFJQMVOII-RWIWAZIYSA-N 0 0 181.279 2.257 10 0 AEAERN C[C@H]1COc2c1cc(C=O)nc2Cl 238488982 573733591 /nfs/dbraw/zinc/73/35/91/573733591.db2.gz LGOOAGSGWKCJIJ-YFKPBYRVSA-N 0 0 197.621 2.043 10 0 AEAERN OCc1csc(C(F)F)c1 223395498 573733617 /nfs/dbraw/zinc/73/36/17/573733617.db2.gz OCWAFTYKMWVPTL-UHFFFAOYSA-N 0 0 164.176 2.178 10 0 AEAERN CC(=O)c1cccc2c1[C@@H](C)CN2 258111709 573733623 /nfs/dbraw/zinc/73/36/23/573733623.db2.gz OQLXMOIWWPWFFV-ZETCQYMHSA-N 0 0 175.231 2.418 10 0 AEAERN O=C1C[C@@H]2C[C@@H]3CCCC=C3[C@@H]12 144767530 573733627 /nfs/dbraw/zinc/73/36/27/573733627.db2.gz BUCLNBMXHQRFRX-LAEOZQHASA-N 0 0 162.232 2.322 10 0 AEAERN CC[C@H](NN)c1c(C)oc(C)c1C 97684360 573733628 /nfs/dbraw/zinc/73/36/28/573733628.db2.gz KAAXKMFWGFPMDP-VIFPVBQESA-N 0 0 182.267 2.119 10 0 AEAERN C[C@H](O)CC(C)(C)Cn1cccc1 393558032 573733712 /nfs/dbraw/zinc/73/37/12/573733712.db2.gz TWTRMCSTCXDIGJ-JTQLQIEISA-N 0 0 181.279 2.285 10 0 AEAERN C=C=C[C@H](O)c1ccccc1C 238489189 573733756 /nfs/dbraw/zinc/73/37/56/573733756.db2.gz WJJRHXLJFZTDOS-NSHDSACASA-N 0 0 160.216 2.370 10 0 AEAERN OC[C@@H](F)c1ccc(O)c(Cl)c1 257860160 573734505 /nfs/dbraw/zinc/73/45/05/573734505.db2.gz VDJJOXNBSFHEIK-SSDOTTSWSA-N 0 0 190.601 2.049 10 0 AEAERN Cc1cc(Cl)cc(N)c1F 75915333 573733823 /nfs/dbraw/zinc/73/38/23/573733823.db2.gz ZOGYXPLHIXLPLR-UHFFFAOYSA-N 0 0 159.591 2.370 10 0 AEAERN Cc1nc2c(C)[nH]c(=S)nc2s1 238488814 573733859 /nfs/dbraw/zinc/73/38/59/573733859.db2.gz WQQJKZSSWYYLPJ-UHFFFAOYSA-N 0 0 197.288 2.366 10 0 AEAERN CCCC1C[C@H](O)CCC[C@@H](O)C1 144709209 573733867 /nfs/dbraw/zinc/73/38/67/573733867.db2.gz YEZJXOYVQQPTNB-GHMZBOCLSA-N 0 0 186.295 2.089 10 0 AEAERN COc1c(CON)cccc1[C@@H](C)F 258111076 573733914 /nfs/dbraw/zinc/73/39/14/573733914.db2.gz LLXBSTDHURPLEU-SSDOTTSWSA-N 0 0 199.225 2.116 10 0 AEAERN C[C@H]1CC[C@@](C)(C(=O)CCO)C1(C)C 238489508 573733931 /nfs/dbraw/zinc/73/39/31/573733931.db2.gz ICGCVKUDHIBEJA-CABZTGNLSA-N 0 0 198.306 2.400 10 0 AEAERN Cc1ccc2c(c1)S[C@H](O)C=C2 238488860 573733977 /nfs/dbraw/zinc/73/39/77/573733977.db2.gz OBTQMCWFCUWBHP-JTQLQIEISA-N 0 0 178.256 2.432 10 0 AEAERN CO[C@](C)(CCO)c1ccc(C)cc1 257853246 573733978 /nfs/dbraw/zinc/73/39/78/573733978.db2.gz PLNQZZCIHITISK-GFCCVEGCSA-N 0 0 194.274 2.239 10 0 AEAERN CCOc1ccccc1[C@H](F)CO 257852946 573734016 /nfs/dbraw/zinc/73/40/16/573734016.db2.gz SOIBPGXPUNUXSZ-SECBINFHSA-N 0 0 184.210 2.088 10 0 AEAERN Cc1ccc2c(c1)S[C@@H](O)C=C2 238488893 573734023 /nfs/dbraw/zinc/73/40/23/573734023.db2.gz OBTQMCWFCUWBHP-SNVBAGLBSA-N 0 0 178.256 2.432 10 0 AEAERN CC(F)(F)C[C@H]1CSC[C@H]1CO 258112040 573734068 /nfs/dbraw/zinc/73/40/68/573734068.db2.gz 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/nfs/dbraw/zinc/74/84/89/573748489.db2.gz YNHOXYDPHFGVMQ-UHFFFAOYSA-N 0 0 188.230 2.206 10 0 AEAERN CC(=O)N/C(C)=C/c1cccc(F)c1 238063387 573748504 /nfs/dbraw/zinc/74/85/04/573748504.db2.gz JCPHSZKTSAMRCD-SOFGYWHQSA-N 0 0 193.221 2.323 10 0 AEAERN C[C@@H](O)C1(CCC2CCOCC2)CC1 308700103 573748506 /nfs/dbraw/zinc/74/85/06/573748506.db2.gz WYACIFLBKGGEFB-SNVBAGLBSA-N 0 0 198.306 2.354 10 0 AEAERN CCc1n[nH]c2cccc(C(C)=O)c12 257863151 573748526 /nfs/dbraw/zinc/74/85/26/573748526.db2.gz RMJAPLPEZWIRMK-UHFFFAOYSA-N 0 0 188.230 2.328 10 0 AEAERN C/C=C/[C@@H]1C(=O)[C@H]2CCC[C@H]21 238065338 573748552 /nfs/dbraw/zinc/74/85/52/573748552.db2.gz YADMCYBXRMCXNM-WBHIQLMCSA-N 0 0 150.221 2.178 10 0 AEAERN Cc1coc(-c2ccccc2O)n1 238496686 573748565 /nfs/dbraw/zinc/74/85/65/573748565.db2.gz KKMKCMTWPFTGBE-UHFFFAOYSA-N 0 0 175.187 2.356 10 0 AEAERN C[C@]12C(=O)CCCC=C1CCC2=O 238497695 573748590 /nfs/dbraw/zinc/74/85/90/573748590.db2.gz JHAKUIMJDJGBHF-LLVKDONJSA-N 0 0 178.231 2.035 10 0 AEAERN CC(=O)N[C@]12CCCC[C@H]1CCC2 238062764 573748744 /nfs/dbraw/zinc/74/87/44/573748744.db2.gz XUEIEPOEXSLAKC-QWRGUYRKSA-N 0 0 181.279 2.235 10 0 AEAERN CCc1oc(N)nc1[C@@H]1CCCS1 258116174 573748593 /nfs/dbraw/zinc/74/85/93/573748593.db2.gz PETNARPKORVAKA-ZETCQYMHSA-N 0 0 198.291 2.387 10 0 AEAERN C[C@H](O)[C@@H](F)C[C@H]1CCCSC1 257863830 573748639 /nfs/dbraw/zinc/74/86/39/573748639.db2.gz RPZIPJCRBOLWIK-YIZRAAEISA-N 0 0 192.299 2.239 10 0 AEAERN CC(=O)c1ccc(F)c2c1CC2 238066529 573748656 /nfs/dbraw/zinc/74/86/56/573748656.db2.gz OKAXQSAQZYMXMK-UHFFFAOYSA-N 0 0 164.179 2.127 10 0 AEAERN CC(C)(C)[C@H]1CCC[C@@H](CO)C1=O 143346177 573749906 /nfs/dbraw/zinc/74/99/06/573749906.db2.gz TUFJIUUCVSKVGM-IUCAKERBSA-N 0 0 184.279 2.010 10 0 AEAERN C[C@H](O)C1(CCC2CCOCC2)CC1 308700102 573748758 /nfs/dbraw/zinc/74/87/58/573748758.db2.gz WYACIFLBKGGEFB-JTQLQIEISA-N 0 0 198.306 2.354 10 0 AEAERN Cc1c(C(F)F)cc(C=O)nc1F 238497858 573748936 /nfs/dbraw/zinc/74/89/36/573748936.db2.gz PHZIGWPIZVMQHR-UHFFFAOYSA-N 0 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FOMWCFDOYJOYFJ-NSHDSACASA-N 0 0 197.228 2.286 10 0 AEAERN COc1cc(C)c([C@H](F)C[NH3+])c(C)c1 108307979 573749156 /nfs/dbraw/zinc/74/91/56/573749156.db2.gz ZJRDQUNBDXFPQC-SNVBAGLBSA-N 0 0 197.253 2.281 10 0 AEAERN CC(=O)N[C@]12CCCC[C@@H]1CCC2 238062719 573749159 /nfs/dbraw/zinc/74/91/59/573749159.db2.gz XUEIEPOEXSLAKC-MNOVXSKESA-N 0 0 181.279 2.235 10 0 AEAERN CCC[C@H](NN)c1cccc(C)c1F 127037759 573749169 /nfs/dbraw/zinc/74/91/69/573749169.db2.gz GANLEEMDJLNBFX-JTQLQIEISA-N 0 0 196.269 2.439 10 0 AEAERN COc1ccc([C@](C)(F)C[NH3+])cc1C 108308002 573749224 /nfs/dbraw/zinc/74/92/24/573749224.db2.gz PXDMFSHDTYOSJV-LLVKDONJSA-N 0 0 197.253 2.147 10 0 AEAERN Cc1nc(C(F)F)cc(C=O)c1F 238498338 573749232 /nfs/dbraw/zinc/74/92/32/573749232.db2.gz VZQCTYDQMHKABZ-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN COc1c(C)cc([C@@H](F)C[NH3+])cc1C 108307977 573749234 /nfs/dbraw/zinc/74/92/34/573749234.db2.gz BBVBTWKZWQASIN-JTQLQIEISA-N 0 0 197.253 2.281 10 0 AEAERN CC[C@]1(C)C(=O)C[C@@H]1OCC(F)F 131062815 573749248 /nfs/dbraw/zinc/74/92/48/573749248.db2.gz CDOPCIKMMJHHGN-IONNQARKSA-N 0 0 192.205 2.026 10 0 AEAERN CCSCc1nc(N)cn1C(C)C 257860545 573749261 /nfs/dbraw/zinc/74/92/61/573749261.db2.gz FLIJTLPOADIUHS-UHFFFAOYSA-N 0 0 199.323 2.299 10 0 AEAERN C/C=C/[C@H]1O[C@H]1/C=C/Br 238064329 573749279 /nfs/dbraw/zinc/74/92/79/573749279.db2.gz AEYVJDPXRGYXET-KOROFTSOSA-N 0 0 189.052 2.239 10 0 AEAERN CC(C)(CCO)Nc1ccccc1F 258904299 573749800 /nfs/dbraw/zinc/74/98/00/573749800.db2.gz GXDMNESZTIUYGY-UHFFFAOYSA-N 0 0 197.253 2.399 10 0 AEAERN Cc1cc(-c2nnc(N)s2)cs1 84026942 573749331 /nfs/dbraw/zinc/74/93/31/573749331.db2.gz RNJNALRMZGNNGQ-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN [NH3+]C[C@]1(F)CCCc2c(F)cccc21 108307811 573749294 /nfs/dbraw/zinc/74/92/94/573749294.db2.gz NNZBOMMPFDIUEQ-LLVKDONJSA-N 0 0 197.228 2.286 10 0 AEAERN C[C@@H]1Nc2ccccc2[C@H](C)N1 238496810 573749297 /nfs/dbraw/zinc/74/92/97/573749297.db2.gz PCYMSLLLUWJOIT-YUMQZZPRSA-N 0 0 162.236 2.109 10 0 AEAERN C[C@@H](O)c1ccncc1C(F)(F)F 257863108 573749310 /nfs/dbraw/zinc/74/93/10/573749310.db2.gz RKPZSFMWUYVBIE-RXMQYKEDSA-N 0 0 191.152 2.154 10 0 AEAERN C/C=C/[C@]1(C)CCCC(=O)C[C@H]1O 238066188 573749315 /nfs/dbraw/zinc/74/93/15/573749315.db2.gz ADYZZEOXUQSMLP-NNPIPJJVSA-N 0 0 182.263 2.073 10 0 AEAERN CCC[C@H](NN)c1ccc(C)nc1C 126992142 573749325 /nfs/dbraw/zinc/74/93/25/573749325.db2.gz DGDZNFSMBSCOOD-NSHDSACASA-N 0 0 193.294 2.003 10 0 AEAERN C/C=C/[C@H]1OC(=O)N[C@@H]1CC(C)C 238063399 573749374 /nfs/dbraw/zinc/74/93/74/573749374.db2.gz NJMSPSGZOSESSK-HOMPQPGZSA-N 0 0 183.251 2.086 10 0 AEAERN [NH3+]C[C@]1(F)CCCc2cc(F)ccc21 108307816 573749399 /nfs/dbraw/zinc/74/93/99/573749399.db2.gz FOMWCFDOYJOYFJ-LLVKDONJSA-N 0 0 197.228 2.286 10 0 AEAERN CCC[C@@H](NN)c1ccncc1Cl 127022587 573749438 /nfs/dbraw/zinc/74/94/38/573749438.db2.gz MPTYELIIMPUBSD-SECBINFHSA-N 0 0 199.685 2.040 10 0 AEAERN Cc1ccccc1-c1coc(CN)n1 257863110 573749441 /nfs/dbraw/zinc/74/94/41/573749441.db2.gz RKXFXVNACQUPQQ-UHFFFAOYSA-N 0 0 188.230 2.109 10 0 AEAERN Cc1c(O)cc2c(c1C)OCC=C2 238497159 573749454 /nfs/dbraw/zinc/74/94/54/573749454.db2.gz GHQBIDFZENJZAQ-UHFFFAOYSA-N 0 0 176.215 2.415 10 0 AEAERN Cc1ccc2c(c1C)OCC(=S)N2 238497926 573749810 /nfs/dbraw/zinc/74/98/10/573749810.db2.gz ZJDYXAJTUOHINW-UHFFFAOYSA-N 0 0 193.271 2.435 10 0 AEAERN COc1cc(C)c([C@H](F)CO)c(C)c1 108309327 573749471 /nfs/dbraw/zinc/74/94/71/573749471.db2.gz OHIOZKIMQMGICK-SNVBAGLBSA-N 0 0 198.237 2.315 10 0 AEAERN Cc1cc(C)c2cc(C(N)=O)oc2c1 238498137 573749555 /nfs/dbraw/zinc/74/95/55/573749555.db2.gz NQGNRMYENNCSSH-UHFFFAOYSA-N 0 0 189.214 2.149 10 0 AEAERN CC(=O)c1ccc(O)c(C2CC2)c1O 238067011 573749578 /nfs/dbraw/zinc/74/95/78/573749578.db2.gz WNXXEEKRXDPWIP-UHFFFAOYSA-N 0 0 192.214 2.178 10 0 AEAERN Clc1ccc(-c2ccoc2)nn1 84025939 573749587 /nfs/dbraw/zinc/74/95/87/573749587.db2.gz QJKSDVBZKLOUSW-UHFFFAOYSA-N 0 0 180.594 2.390 10 0 AEAERN CNc1nc(-c2sccc2C)c[nH]1 259176437 573749605 /nfs/dbraw/zinc/74/96/05/573749605.db2.gz VRAQEONZWPQWPV-UHFFFAOYSA-N 0 0 193.275 2.488 10 0 AEAERN Cc1ccc2c(c1C)C(=O)CCN2 238498215 573749628 /nfs/dbraw/zinc/74/96/28/573749628.db2.gz OLJVAAWRMJFMBV-UHFFFAOYSA-N 0 0 175.231 2.302 10 0 AEAERN C=C(NC(C)=O)C1=CCCCC1 238063663 573749643 /nfs/dbraw/zinc/74/96/43/573749643.db2.gz GHXLJPFTPWVSLS-UHFFFAOYSA-N 0 0 165.236 2.137 10 0 AEAERN Cc1cc2c(C)c[nH]c(=O)c2s1 238497927 573749646 /nfs/dbraw/zinc/74/96/46/573749646.db2.gz ANPYWPBCRLKDRC-UHFFFAOYSA-N 0 0 179.244 2.206 10 0 AEAERN C/C=C/[C@](C)(O)[C@H](O)c1ccccc1 238066027 573749656 /nfs/dbraw/zinc/74/96/56/573749656.db2.gz LRVUCFKLRHZOBB-NEIHAMAVSA-N 0 0 192.258 2.047 10 0 AEAERN C/C=C/[C@H]1O[C@@H](O)c2ccccc21 238064080 573749694 /nfs/dbraw/zinc/74/96/94/573749694.db2.gz NKFKGNRCIQVTII-ZDDBVIRUSA-N 0 0 176.215 2.325 10 0 AEAERN COc1c(C)cc([C@@H](F)CO)cc1C 108309325 573751655 /nfs/dbraw/zinc/75/16/55/573751655.db2.gz UYCVBYXSQPHZMF-JTQLQIEISA-N 0 0 198.237 2.315 10 0 AEAERN 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238087082 573761570 /nfs/dbraw/zinc/76/15/70/573761570.db2.gz JQIGMHRWIQHLKH-MNOVXSKESA-N 0 0 176.215 2.024 10 0 AEAERN OC1(CC[C@H]2CCSC2)CC1 258123860 573761574 /nfs/dbraw/zinc/76/15/74/573761574.db2.gz WJUXCNONFNXQCN-QMMMGPOBSA-N 0 0 172.293 2.045 10 0 AEAERN Fc1ccc2c(c1)[C@@H]1C[C@@H]1N2 257868543 573761587 /nfs/dbraw/zinc/76/15/87/573761587.db2.gz DSJWRTWBHWIUHA-CBAPKCEASA-N 0 0 149.168 2.107 10 0 AEAERN CC(C)c1oc(=O)[nH]c1C1CC1 258423854 573761605 /nfs/dbraw/zinc/76/16/05/573761605.db2.gz CDITZVCYMAWXOY-UHFFFAOYSA-N 0 0 167.208 2.381 10 0 AEAERN Cc1ccc2c(c1)CSC[C@H]2O 238506819 573761659 /nfs/dbraw/zinc/76/16/59/573761659.db2.gz TUPRMBDTZRYMIB-SNVBAGLBSA-N 0 0 180.272 2.275 10 0 AEAERN Cc1cc2cc(N)cc(F)c2o1 238507922 573761682 /nfs/dbraw/zinc/76/16/82/573761682.db2.gz FPYFTFPHEJJFFD-UHFFFAOYSA-N 0 0 165.167 2.463 10 0 AEAERN C[C@@]12C[C@@H](Cc3ccccc31)C2=O 238506737 573761688 /nfs/dbraw/zinc/76/16/88/573761688.db2.gz ROUKGIXUFWJUDF-BXKDBHETSA-N 0 0 172.227 2.089 10 0 AEAERN C[C@@]12CC(=O)[C@@H]3C[C@@H](C1)[C@H]3C2 238506947 573761727 /nfs/dbraw/zinc/76/17/27/573761727.db2.gz UPPNPJOAWGTPPF-OKJYPTKPSA-N 0 0 150.221 2.012 10 0 AEAERN C1=CC[C@H](Nc2ncns2)CC1 84080453 573761846 /nfs/dbraw/zinc/76/18/46/573761846.db2.gz PAHNMEBQDRYCPY-ZETCQYMHSA-N 0 0 181.264 2.059 10 0 AEAERN CCCc1cn2cccc(C=O)c2n1 258124055 573761849 /nfs/dbraw/zinc/76/18/49/573761849.db2.gz ZCECCBOYZRHZTB-UHFFFAOYSA-N 0 0 188.230 2.099 10 0 AEAERN Nc1cccnc1N[C@@H]1CC=CCC1 84066327 573761940 /nfs/dbraw/zinc/76/19/40/573761940.db2.gz RQLMMEPDSIOTAL-SECBINFHSA-N 0 0 189.262 2.184 10 0 AEAERN C[C@@H](c1ccccc1)C(C)(C)C(N)=O 143456399 573761971 /nfs/dbraw/zinc/76/19/71/573761971.db2.gz QMEKHNXHBWVMCU-VIFPVBQESA-N 0 0 191.274 2.302 10 0 AEAERN Cc1cc2cc(N)c(F)cc2o1 238507818 573761973 /nfs/dbraw/zinc/76/19/73/573761973.db2.gz SWDAJPNKDZJSOA-UHFFFAOYSA-N 0 0 165.167 2.463 10 0 AEAERN COCc1ccc(C)cc1F 143459643 573761980 /nfs/dbraw/zinc/76/19/80/573761980.db2.gz ZCNISCNRUKYGOJ-UHFFFAOYSA-N 0 0 154.184 2.281 10 0 AEAERN CC(C)(C)[C@H]1CCC=C(C(N)=O)C1 238089494 573762008 /nfs/dbraw/zinc/76/20/08/573762008.db2.gz VMDUCQUYMGKPLL-VIFPVBQESA-N 0 0 181.279 2.244 10 0 AEAERN C[C@H](c1ccccc1)C(C)(C)C(N)=O 143456607 573762024 /nfs/dbraw/zinc/76/20/24/573762024.db2.gz QMEKHNXHBWVMCU-SECBINFHSA-N 0 0 191.274 2.302 10 0 AEAERN CC(=O)[C@H]1CCc2c(C)coc2C1 238090718 573762163 /nfs/dbraw/zinc/76/21/63/573762163.db2.gz USXLPHXIELFFBF-VIFPVBQESA-N 0 0 178.231 2.282 10 0 AEAERN Cc1cc(C(C)(C)CO)cc(O)c1F 258121453 573762179 /nfs/dbraw/zinc/76/21/79/573762179.db2.gz MFDUATHDVBVPCA-UHFFFAOYSA-N 0 0 198.237 2.110 10 0 AEAERN C1=CN2c3ccccc3N[C@H]2C1 238088774 573762221 /nfs/dbraw/zinc/76/22/21/573762221.db2.gz HUGFKRZIJKOMLF-SNVBAGLBSA-N 0 0 158.204 2.162 10 0 AEAERN Cc1coc(Oc2cccc(O)c2)n1 257869673 573762224 /nfs/dbraw/zinc/76/22/24/573762224.db2.gz HXKOLRVXWWQXBJ-UHFFFAOYSA-N 0 0 191.186 2.481 10 0 AEAERN C[C@@H](O)Cc1cccc2c1CCCC2 258123778 573762230 /nfs/dbraw/zinc/76/22/30/573762230.db2.gz QTXXEOWTNWTHIX-SNVBAGLBSA-N 0 0 190.286 2.489 10 0 AEAERN CC(=O)[C@@H]1CC=C(OC2CC2)CC1 238089435 573762279 /nfs/dbraw/zinc/76/22/79/573762279.db2.gz LUJNERGDLLZHQE-SECBINFHSA-N 0 0 180.247 2.438 10 0 AEAERN C[C@H](O)c1cnc(C(C)(C)C)o1 258122609 573763080 /nfs/dbraw/zinc/76/30/80/573763080.db2.gz ORNJTJGXRSOMOB-LURJTMIESA-N 0 0 169.224 2.025 10 0 AEAERN CCc1cc2cc(O)ccc2[nH]1 108331993 573762282 /nfs/dbraw/zinc/76/22/82/573762282.db2.gz JKKKDZLGWXSESE-UHFFFAOYSA-N 0 0 161.204 2.436 10 0 AEAERN CC[C@@H](O)[C@@H]1CC[C@@H](C)C1 122557258 573762293 /nfs/dbraw/zinc/76/22/93/573762293.db2.gz XVBXWFUSZXAKJZ-IWSPIJDZSA-N 0 0 142.242 2.194 10 0 AEAERN CC(C(N)=O)=C1C[C@H]2CCCC[C@@H]2C1 238088045 573762310 /nfs/dbraw/zinc/76/23/10/573762310.db2.gz ICIIMUZXFYVTSG-NXEZZACHSA-N 0 0 193.290 2.388 10 0 AEAERN Cc1ccc(N)c([C@H]2CCCC2=O)c1 238507610 573762315 /nfs/dbraw/zinc/76/23/15/573762315.db2.gz JNJMABYWYCWECT-SECBINFHSA-N 0 0 189.258 2.414 10 0 AEAERN CC(C)(C)[C@H]1CCCC[C@H]1C(N)=O 238090572 573762497 /nfs/dbraw/zinc/76/24/97/573762497.db2.gz MVCUTNYTADEHQI-BDAKNGLRSA-N 0 0 183.295 2.324 10 0 AEAERN O=C1CC(Cl)=C(Cl)C1 238507859 573762498 /nfs/dbraw/zinc/76/24/98/573762498.db2.gz ULNNBQYRGWPZIW-UHFFFAOYSA-N 0 0 150.992 2.039 10 0 AEAERN COC[C@H]1CCCc2c(O)cccc21 257870259 573762523 /nfs/dbraw/zinc/76/25/23/573762523.db2.gz SVALHMOGCMEGPD-SECBINFHSA-N 0 0 192.258 2.459 10 0 AEAERN CC(=O)[C@H]1C[C@@H]2CC=CC[C@@H]21 238091266 573762602 /nfs/dbraw/zinc/76/26/02/573762602.db2.gz UVDSKQNSCYJWFC-LPEHRKFASA-N 0 0 150.221 2.178 10 0 AEAERN C1=CN2c3ccccc3N[C@@H]2C1 238088746 573762653 /nfs/dbraw/zinc/76/26/53/573762653.db2.gz HUGFKRZIJKOMLF-JTQLQIEISA-N 0 0 158.204 2.162 10 0 AEAERN CC(C)(C)N1O[C@H]1c1ccc(O)cc1 238091309 573762718 /nfs/dbraw/zinc/76/27/18/573762718.db2.gz MZNZSUBMLXLJDL-NUHJPDEHSA-N 0 0 193.246 2.437 10 0 AEAERN Cc1ccc2[nH]c(=S)c(N)nc2c1 238508049 573762745 /nfs/dbraw/zinc/76/27/45/573762745.db2.gz PLXSGCSZZPCMBJ-UHFFFAOYSA-N 0 0 191.259 2.183 10 0 AEAERN CC(=O)[C@H]1CC23CCC(CC2)[C@@H]13 238089176 573762752 /nfs/dbraw/zinc/76/27/52/573762752.db2.gz IXGKXGSZVOTBNF-WIFZPCQCSA-N 0 0 164.248 2.402 10 0 AEAERN CSc1cc(C)c(O)cc1[C@@H](C)O 258124239 573762783 /nfs/dbraw/zinc/76/27/83/573762783.db2.gz MLLXRSXRLQGJIG-SSDOTTSWSA-N 0 0 198.287 2.476 10 0 AEAERN CC[C@@H](CO)CNc1ccc(C)o1 258918602 573762786 /nfs/dbraw/zinc/76/27/86/573762786.db2.gz GPSRRHYBPUMUBL-SECBINFHSA-N 0 0 183.251 2.018 10 0 AEAERN CC(=O)[C@H]1CC23CCC(CC2)[C@H]13 238089199 573763599 /nfs/dbraw/zinc/76/35/99/573763599.db2.gz IXGKXGSZVOTBNF-WYNUPADASA-N 0 0 164.248 2.402 10 0 AEAERN C[C@@]12C=CC[C@@H]1C(=O)CCC2 238506724 573762911 /nfs/dbraw/zinc/76/29/11/573762911.db2.gz ABPUKWIWHXYOBG-SCZZXKLOSA-N 0 0 150.221 2.322 10 0 AEAERN CC(C)(C)[C@H]1CCCC[C@@H]1C(N)=O 238090308 573762964 /nfs/dbraw/zinc/76/29/64/573762964.db2.gz MVCUTNYTADEHQI-IUCAKERBSA-N 0 0 183.295 2.324 10 0 AEAERN C=Cc1nc([C@@H](OCC)C(C)C)no1 131015576 573762980 /nfs/dbraw/zinc/76/29/80/573762980.db2.gz DIZNKKWCMRSMJT-VIFPVBQESA-N 0 0 196.250 2.446 10 0 AEAERN Cc1ccc(N)c([C@@H]2CCC(=O)C2)c1 238507031 573762998 /nfs/dbraw/zinc/76/29/98/573762998.db2.gz GZOLCMDKDUHLGZ-SECBINFHSA-N 0 0 189.258 2.414 10 0 AEAERN CCc1cc(Cl)cc(CCON)c1 258124202 573763032 /nfs/dbraw/zinc/76/30/32/573763032.db2.gz MKVQYGJRJYXDHA-UHFFFAOYSA-N 0 0 199.681 2.335 10 0 AEAERN Oc1cc(C[NH2+]C2CC2)ccc1Cl 258122766 573763040 /nfs/dbraw/zinc/76/30/40/573763040.db2.gz MXNHTSFVRSBEEA-UHFFFAOYSA-N 0 0 197.665 2.298 10 0 AEAERN CC(=O)[C@H]1O[C@]1(C)CC(C)(C)C 238087223 573763095 /nfs/dbraw/zinc/76/30/95/573763095.db2.gz MPZJIJWURVPPAZ-PSASIEDQSA-N 0 0 170.252 2.169 10 0 AEAERN Nc1ccc(N[C@H]2CC=CCC2)cn1 84066356 573763109 /nfs/dbraw/zinc/76/31/09/573763109.db2.gz PKTMBPZDBXHVLP-VIFPVBQESA-N 0 0 189.262 2.184 10 0 AEAERN c1ccc2c(c1)COC1(CC1)N2 238089394 573763154 /nfs/dbraw/zinc/76/31/54/573763154.db2.gz UDXJBLRURKNWBS-UHFFFAOYSA-N 0 0 161.204 2.119 10 0 AEAERN NOCc1c(F)cc(F)c2occc12 258121730 573763156 /nfs/dbraw/zinc/76/31/56/573763156.db2.gz MIGDKTLUQBYKNG-UHFFFAOYSA-N 0 0 199.156 2.101 10 0 AEAERN Clc1ccnc2c1CC=C2 238507319 573763165 /nfs/dbraw/zinc/76/31/65/573763165.db2.gz IUHOPTZHOWKLNB-UHFFFAOYSA-N 0 0 151.596 2.304 10 0 AEAERN Cc1cnc(C(F)F)c(O)c1C 238508379 573763187 /nfs/dbraw/zinc/76/31/87/573763187.db2.gz NKDZVMDREZIKFA-UHFFFAOYSA-N 0 0 173.162 2.342 10 0 AEAERN Cc1c(-c2cccc(O)c2)cnn1C 257869108 573763230 /nfs/dbraw/zinc/76/32/30/573763230.db2.gz SSPFVDDVBUTIKK-UHFFFAOYSA-N 0 0 188.230 2.101 10 0 AEAERN FC(F)(F)CN[C@@H]1CC=CCC1 84067517 573763273 /nfs/dbraw/zinc/76/32/73/573763273.db2.gz AWZBLNVQEQTYIL-SSDOTTSWSA-N 0 0 179.185 2.247 10 0 AEAERN Cc1cnc(C(F)F)c(N)c1F 238508145 573763320 /nfs/dbraw/zinc/76/33/20/573763320.db2.gz WDFCYUJEYLZFOO-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN Cc1cc2cc(O)cc(C)c2[nH]1 238508256 573763499 /nfs/dbraw/zinc/76/34/99/573763499.db2.gz OCMRMBVDJFNIOL-UHFFFAOYSA-N 0 0 161.204 2.490 10 0 AEAERN C[C@@H]1C[C@]1(CO)C(C)(C)C 258928010 573767070 /nfs/dbraw/zinc/76/70/70/573767070.db2.gz AGDMTMRHVVHLSN-VXNVDRBHSA-N 0 0 142.242 2.051 10 0 AEAERN CC[C@H](C)[C@@H]([NH3+])C1(C(=O)[O-])CCCC1 308712236 573767092 /nfs/dbraw/zinc/76/70/92/573767092.db2.gz ZKSIEMRTJVORFX-DTWKUNHWSA-N 0 0 199.294 2.005 10 0 AEAERN CC(=O)Cc1ncccc1C(C)C 259185028 573767079 /nfs/dbraw/zinc/76/70/79/573767079.db2.gz IMDCHHJJNQEICL-UHFFFAOYSA-N 0 0 177.247 2.337 10 0 AEAERN CC(C(N)=O)=C1C[C@@H]2CCCC[C@@H]2C1 238087985 573764376 /nfs/dbraw/zinc/76/43/76/573764376.db2.gz ICIIMUZXFYVTSG-AOOOYVTPSA-N 0 0 193.290 2.388 10 0 AEAERN Cc1ccc(C(C)C)c(CCO)c1O 258123904 573764396 /nfs/dbraw/zinc/76/43/96/573764396.db2.gz QVUFXOZXTOEHDE-UHFFFAOYSA-N 0 0 194.274 2.359 10 0 AEAERN C=Cc1cc2cc(C)ccc2[nH]c1=O 238507551 573764415 /nfs/dbraw/zinc/76/44/15/573764415.db2.gz YFNJQPADZGCEPG-UHFFFAOYSA-N 0 0 185.226 2.480 10 0 AEAERN CC(=O)[C@H]1CC[C@H]2C=CC[C@H]12 238090332 573764450 /nfs/dbraw/zinc/76/44/50/573764450.db2.gz YSZGVDAYNFHOQM-BBBLOLIVSA-N 0 0 150.221 2.178 10 0 AEAERN Cc1cc(C(F)F)c(N)c(C)n1 238508269 573764540 /nfs/dbraw/zinc/76/45/40/573764540.db2.gz LVVZKXHIPDYUHT-UHFFFAOYSA-N 0 0 172.178 2.218 10 0 AEAERN C[C@]12CCCCC1=CCC2=O 238507992 573764553 /nfs/dbraw/zinc/76/45/53/573764553.db2.gz HPCUGTWKLDWWEO-JTQLQIEISA-N 0 0 150.221 2.466 10 0 AEAERN Cc1ccc([C@@](C)(F)CO)s1 257869140 573764583 /nfs/dbraw/zinc/76/45/83/573764583.db2.gz XTXPVOZMEKRWJZ-QMMMGPOBSA-N 0 0 174.240 2.234 10 0 AEAERN Cc1cc([C@@H](N)C(F)(F)F)co1 238507321 573764629 /nfs/dbraw/zinc/76/46/29/573764629.db2.gz GPUMBFROQQQENB-ZCFIWIBFSA-N 0 0 179.141 2.150 10 0 AEAERN CC(=O)[C@H]1C[C@@H]2CCCC[C@@H]21 238091442 573764641 /nfs/dbraw/zinc/76/46/41/573764641.db2.gz KTCDHTXDKLXNAE-LPEHRKFASA-N 0 0 152.237 2.402 10 0 AEAERN C[C@@H](O)c1cnc(C(C)(C)C)o1 258122611 573764701 /nfs/dbraw/zinc/76/47/01/573764701.db2.gz ORNJTJGXRSOMOB-ZCFIWIBFSA-N 0 0 169.224 2.025 10 0 AEAERN C[C@]1(c2ccccc2F)COC(=O)C1 257869081 573764749 /nfs/dbraw/zinc/76/47/49/573764749.db2.gz SRWJEGGZBJYAAP-LLVKDONJSA-N 0 0 194.205 2.030 10 0 AEAERN C[S@](=O)c1cccc2ccoc12 238507400 573764788 /nfs/dbraw/zinc/76/47/88/573764788.db2.gz SNCWZWVYBCBFCE-LBPRGKRZSA-N 0 0 180.228 2.170 10 0 AEAERN Cc1cnc(C(F)F)c(O)c1 238508336 573764848 /nfs/dbraw/zinc/76/48/48/573764848.db2.gz DOQROMSBXPJGIW-UHFFFAOYSA-N 0 0 159.135 2.033 10 0 AEAERN CC(=O)CCN(C)c1sccc1C 258921024 573764856 /nfs/dbraw/zinc/76/48/56/573764856.db2.gz NPRWYQSGJHUXTK-UHFFFAOYSA-N 0 0 197.303 2.472 10 0 AEAERN CSc1cc(C)c(O)cc1[C@H](C)O 258124241 573764862 /nfs/dbraw/zinc/76/48/62/573764862.db2.gz MLLXRSXRLQGJIG-ZETCQYMHSA-N 0 0 198.287 2.476 10 0 AEAERN CC(=O)[C@H]1CC[C@@H]2C=CC[C@@H]21 238089871 573764891 /nfs/dbraw/zinc/76/48/91/573764891.db2.gz YSZGVDAYNFHOQM-AEJSXWLSSA-N 0 0 150.221 2.178 10 0 AEAERN Nc1ccn2cc(-c3ccco3)nc2c1 257868258 573764963 /nfs/dbraw/zinc/76/49/63/573764963.db2.gz AOJJQTTXSPSSNR-UHFFFAOYSA-N 0 0 199.213 2.177 10 0 AEAERN Nc1cccn2cc(-c3ccco3)nc12 257869703 573765089 /nfs/dbraw/zinc/76/50/89/573765089.db2.gz AVXUZCBFDCELCN-UHFFFAOYSA-N 0 0 199.213 2.177 10 0 AEAERN CC(C)(C)N1O[C@@H]1c1ccc(O)cc1 238091235 573765115 /nfs/dbraw/zinc/76/51/15/573765115.db2.gz MZNZSUBMLXLJDL-RWANSRKNSA-N 0 0 193.246 2.437 10 0 AEAERN CC(=O)CCC1=C[C@@H](O)CC(C)(C)C1 238093831 573767006 /nfs/dbraw/zinc/76/70/06/573767006.db2.gz YAEDMXLCFWCNDI-LLVKDONJSA-N 0 0 196.290 2.463 10 0 AEAERN CC(=O)CC(C)(C)n1cccc1 238087232 573765211 /nfs/dbraw/zinc/76/52/11/573765211.db2.gz GCAWZZWXRZCIBI-UHFFFAOYSA-N 0 0 165.236 2.202 10 0 AEAERN CC(=O)[C@H]1O[C@@H]1c1cccc(C)c1 238086818 573765219 /nfs/dbraw/zinc/76/52/19/573765219.db2.gz VQFCWDCKHZBXMT-GHMZBOCLSA-N 0 0 176.215 2.024 10 0 AEAERN Cc1c(F)ccc([C@@H](C)CO)c1F 258123907 573765221 /nfs/dbraw/zinc/76/52/21/573765221.db2.gz QVUJCLUMNHDQQA-LURJTMIESA-N 0 0 186.201 2.369 10 0 AEAERN Cc1ccc(N)c([C@@H]2CCCC2=O)c1 238507093 573765233 /nfs/dbraw/zinc/76/52/33/573765233.db2.gz JNJMABYWYCWECT-VIFPVBQESA-N 0 0 189.258 2.414 10 0 AEAERN CC(=O)[C@H]1O[C@@]1(C)CC(C)(C)C 238086940 573765268 /nfs/dbraw/zinc/76/52/68/573765268.db2.gz MPZJIJWURVPPAZ-SCZZXKLOSA-N 0 0 170.252 2.169 10 0 AEAERN CC(C)(O)Cc1cccc2cc[nH]c12 257870012 573765336 /nfs/dbraw/zinc/76/53/36/573765336.db2.gz IFJODFMQRHGQQX-UHFFFAOYSA-N 0 0 189.258 2.481 10 0 AEAERN CC(=O)[C@H]1CCc2occ(C)c2C1 238090860 573765352 /nfs/dbraw/zinc/76/53/52/573765352.db2.gz HGQIDVGDEJUJRH-VIFPVBQESA-N 0 0 178.231 2.282 10 0 AEAERN CC(C)(C)[C@@H]1CC=C(C(N)=O)CC1 238089285 573765358 /nfs/dbraw/zinc/76/53/58/573765358.db2.gz NWSDGRCRUSMHSP-SECBINFHSA-N 0 0 181.279 2.244 10 0 AEAERN C[C@H](CCO)C(C)(C)C 79205907 573765360 /nfs/dbraw/zinc/76/53/60/573765360.db2.gz FQNYRSRCONKFCN-SSDOTTSWSA-N 0 0 130.231 2.051 10 0 AEAERN Nc1ccc(-c2cccc(F)c2)[nH]1 258125634 573766855 /nfs/dbraw/zinc/76/68/55/573766855.db2.gz MYZOUHAYNYVCEM-UHFFFAOYSA-N 0 0 176.194 2.403 10 0 AEAERN CC[C@H](CO)C1CCCC1 79205690 573765406 /nfs/dbraw/zinc/76/54/06/573765406.db2.gz RGLSMTMZTGLTCP-MRVPVSSYSA-N 0 0 142.242 2.195 10 0 AEAERN CSC(=O)c1ccn(C(C)C)c1N 257868621 573765425 /nfs/dbraw/zinc/76/54/25/573765425.db2.gz DUWWDOMWNSLGAS-UHFFFAOYSA-N 0 0 198.291 2.154 10 0 AEAERN C[C@]12CCCC(=O)[C@H]1C[C@@H](CO)CC2 238506802 573765470 /nfs/dbraw/zinc/76/54/70/573765470.db2.gz MXULRTVOMZLDCO-HOSYDEDBSA-N 0 0 196.290 2.154 10 0 AEAERN Nc1ccc(N[C@@H]2CC=CCC2)nc1 84066247 573765492 /nfs/dbraw/zinc/76/54/92/573765492.db2.gz QEMMSEKRGOEADB-SNVBAGLBSA-N 0 0 189.262 2.184 10 0 AEAERN Cc1cc2cc(F)cc(N)c2[nH]1 238507569 573765542 /nfs/dbraw/zinc/76/55/42/573765542.db2.gz VLHKMYAEDMRFPR-UHFFFAOYSA-N 0 0 164.183 2.198 10 0 AEAERN Cc1cc(C)cc([C@H]2CCC(=O)N2)c1 238507036 573765553 /nfs/dbraw/zinc/76/55/53/573765553.db2.gz BWMOGRDFAPOTQM-LLVKDONJSA-N 0 0 189.258 2.255 10 0 AEAERN CCC(CC)[C@H]([NH3+])C1(C(=O)[O-])CCC1 308709517 573765637 /nfs/dbraw/zinc/76/56/37/573765637.db2.gz XYOHRRUOJWBFPX-VIFPVBQESA-N 0 0 199.294 2.005 10 0 AEAERN Cc1c(F)cc2c(c1O)C(=O)CCC2 238508754 573767009 /nfs/dbraw/zinc/76/70/09/573767009.db2.gz OXBHZUWIMRACRL-UHFFFAOYSA-N 0 0 194.205 2.359 10 0 AEAERN Cc1cc(Cl)cc2nccn12 238508321 573765790 /nfs/dbraw/zinc/76/57/90/573765790.db2.gz GNORONLSTISOMM-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN c1cc(OC2CC2)c2nc[nH]c2c1 238092680 573765799 /nfs/dbraw/zinc/76/57/99/573765799.db2.gz YFJPAJWVNYGQDG-UHFFFAOYSA-N 0 0 174.203 2.104 10 0 AEAERN Cc1n[nH]c2ccc(OC3CC3)cc12 238507533 573765822 /nfs/dbraw/zinc/76/58/22/573765822.db2.gz CCTYZXVIYCPCOV-UHFFFAOYSA-N 0 0 188.230 2.413 10 0 AEAERN C[C@@H]1C[C@@]1(CO)C(C)(C)C 258928007 573765886 /nfs/dbraw/zinc/76/58/86/573765886.db2.gz AGDMTMRHVVHLSN-APPZFPTMSA-N 0 0 142.242 2.051 10 0 AEAERN CC(=O)CCC(C)(C)Cl 238092640 573765891 /nfs/dbraw/zinc/76/58/91/573765891.db2.gz MFOJVAWASVHWJK-UHFFFAOYSA-N 0 0 148.633 2.373 10 0 AEAERN Clc1ccnc2c1CCCCN2 238507374 573765913 /nfs/dbraw/zinc/76/59/13/573765913.db2.gz YNPMDCLTOGNGJJ-UHFFFAOYSA-N 0 0 182.654 2.483 10 0 AEAERN CC(C)Cc1csc(CCCO)n1 258123735 573765936 /nfs/dbraw/zinc/76/59/36/573765936.db2.gz PTCJHUUMYXPPKH-UHFFFAOYSA-N 0 0 199.319 2.267 10 0 AEAERN COc1ccccc1-c1ccc(N)[nH]1 258122601 573765942 /nfs/dbraw/zinc/76/59/42/573765942.db2.gz MTLWUPOPWJXYRC-UHFFFAOYSA-N 0 0 188.230 2.273 10 0 AEAERN CC(=O)NCSc1ccc(C)cc1 238093473 573765955 /nfs/dbraw/zinc/76/59/55/573765955.db2.gz MAUFAGSPEDGDNG-UHFFFAOYSA-N 0 0 195.287 2.181 10 0 AEAERN CC(C)(C)NC(=O)/C(Cl)=C/Cl 238093986 573765984 /nfs/dbraw/zinc/76/59/84/573765984.db2.gz WVVWISOQEHLFMM-PLNGDYQASA-N 0 0 196.077 2.220 10 0 AEAERN O[C@@H]1CCc2ccccc2C12CCC2 259177290 573765996 /nfs/dbraw/zinc/76/59/96/573765996.db2.gz ICCNBECXGKZFRK-GFCCVEGCSA-N 0 0 188.270 2.415 10 0 AEAERN O=C1CC=CC=C(Cl)C1 238508457 573766911 /nfs/dbraw/zinc/76/69/11/573766911.db2.gz UVSSCSUHAXHKDR-UHFFFAOYSA-N 0 0 142.585 2.028 10 0 AEAERN Cc1n[nH]c2cc(OC3CC3)ccc12 238507479 573766036 /nfs/dbraw/zinc/76/60/36/573766036.db2.gz OGQSNFIDHDYAPJ-UHFFFAOYSA-N 0 0 188.230 2.413 10 0 AEAERN C1=CC[C@@H](Nc2ncns2)CC1 84080454 573766050 /nfs/dbraw/zinc/76/60/50/573766050.db2.gz PAHNMEBQDRYCPY-SSDOTTSWSA-N 0 0 181.264 2.059 10 0 AEAERN CC(=O)CCC1(C)C=CC=C1 238093243 573766058 /nfs/dbraw/zinc/76/60/58/573766058.db2.gz UTEJZUBXEOAFCQ-UHFFFAOYSA-N 0 0 150.221 2.488 10 0 AEAERN Cc1cc2ccc(Cl)nc2nc1N 238510031 573766917 /nfs/dbraw/zinc/76/69/17/573766917.db2.gz CYDGCLWWIGZDQB-UHFFFAOYSA-N 0 0 193.637 2.174 10 0 AEAERN Cc1ccc2[nH]c(=S)[nH]c2c1F 238510044 573767087 /nfs/dbraw/zinc/76/70/87/573767087.db2.gz LMTFGAQJFVFLAG-UHFFFAOYSA-N 0 0 182.223 2.299 10 0 AEAERN O=Cc1cnoc1C1CCSCC1 259177761 573766141 /nfs/dbraw/zinc/76/61/41/573766141.db2.gz JNXIJLXQOWOYST-UHFFFAOYSA-N 0 0 197.259 2.098 10 0 AEAERN CC(F)(F)c1ccc2oc(=O)[nH]c2c1 258929281 573766189 /nfs/dbraw/zinc/76/61/89/573766189.db2.gz AKUUQQWPGSYDSJ-UHFFFAOYSA-N 0 0 199.156 2.233 10 0 AEAERN O=Cc1n[nH]cc1C1CCCCC1 257871860 573766193 /nfs/dbraw/zinc/76/61/93/573766193.db2.gz YILDHQTXURSAEI-UHFFFAOYSA-N 0 0 178.235 2.270 10 0 AEAERN c1cc(NC2CC2)nc(OC2CC2)c1 238092056 573766264 /nfs/dbraw/zinc/76/62/64/573766264.db2.gz XWQXSIPVTPRYDZ-UHFFFAOYSA-N 0 0 190.246 2.197 10 0 AEAERN CCc1cccc([C@@H](F)C(=O)OC)c1 257871384 573766384 /nfs/dbraw/zinc/76/63/84/573766384.db2.gz TUNFYZZVJAGDPW-SNVBAGLBSA-N 0 0 196.221 2.433 10 0 AEAERN CC(C)(C)[C@H]1CC[C@@H](C(N)=O)CC1 238092247 573766390 /nfs/dbraw/zinc/76/63/90/573766390.db2.gz REWBHMUNYHZCKJ-KYZUINATSA-N 0 0 183.295 2.324 10 0 AEAERN CCc1cnccc1[C@@H](O)CC 122568321 573766583 /nfs/dbraw/zinc/76/65/83/573766583.db2.gz ABOSERULSFOYAX-JTQLQIEISA-N 0 0 165.236 2.087 10 0 AEAERN OC1([C@H]2CCSC2)CCCC1 258124429 573767037 /nfs/dbraw/zinc/76/70/37/573767037.db2.gz UFENVICSGASNNU-QMMMGPOBSA-N 0 0 172.293 2.045 10 0 AEAERN CCOC(=O)c1cc(CC)n(C)c1C 259566462 573766601 /nfs/dbraw/zinc/76/66/01/573766601.db2.gz IWFZDHOKXKLGHN-UHFFFAOYSA-N 0 0 195.262 2.073 10 0 AEAERN Cc1cccc(-c2cc(N)cnn2)c1 258125411 573767038 /nfs/dbraw/zinc/76/70/38/573767038.db2.gz ZUOXFMXESYVNMZ-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CC[C@H](O)[C@@H]1CC[C@@H](C)C1 122565374 573766639 /nfs/dbraw/zinc/76/66/39/573766639.db2.gz XVBXWFUSZXAKJZ-HLTSFMKQSA-N 0 0 142.242 2.194 10 0 AEAERN Cc1ccc(NC2CCC(O)CC2)o1 258928980 573766641 /nfs/dbraw/zinc/76/66/41/573766641.db2.gz YZILPGLMMLAJHO-UHFFFAOYSA-N 0 0 195.262 2.303 10 0 AEAERN Cc1ccc(-c2conc2C=O)cc1 257870559 573766647 /nfs/dbraw/zinc/76/66/47/573766647.db2.gz YDIRNSZVWYHUOE-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN CCS[C@H]1CCCCC[C@@H]1O 84083012 573766706 /nfs/dbraw/zinc/76/67/06/573766706.db2.gz SDQSXPIDPCUQTD-IUCAKERBSA-N 0 0 174.309 2.433 10 0 AEAERN C[C@H]1Oc2ccc(O)cc2C1(C)C 238510159 573766747 /nfs/dbraw/zinc/76/67/47/573766747.db2.gz IRCLACPHKGIRQT-SSDOTTSWSA-N 0 0 178.231 2.451 10 0 AEAERN Cc1cc([C@@H]2CCCO2)nc(Cl)n1 238508478 573766949 /nfs/dbraw/zinc/76/69/49/573766949.db2.gz KFHRUPRZIXBMKR-QMMMGPOBSA-N 0 0 198.653 2.290 10 0 AEAERN CC(=O)CCC=C1C=CC=C1 238094163 573766952 /nfs/dbraw/zinc/76/69/52/573766952.db2.gz RELPHUJFCABGQU-UHFFFAOYSA-N 0 0 148.205 2.408 10 0 AEAERN c1cc2c(c(N3CCCC3)c1)NCC2 257871303 573766976 /nfs/dbraw/zinc/76/69/76/573766976.db2.gz SZOVXRHJBRPNCC-UHFFFAOYSA-N 0 0 188.274 2.255 10 0 AEAERN c1cc(-c2cc(C3CC3)[nH]n2)ccn1 238096646 573768751 /nfs/dbraw/zinc/76/87/51/573768751.db2.gz AIXGSNZPILBYRB-UHFFFAOYSA-N 0 0 185.230 2.349 10 0 AEAERN CC(C)SCc1scnc1N 257872064 573768835 /nfs/dbraw/zinc/76/88/35/573768835.db2.gz FJPDRXXBMLCCTQ-UHFFFAOYSA-N 0 0 188.321 2.367 10 0 AEAERN Cc1cc(C(F)F)c(O)c(C)n1 238509386 573768870 /nfs/dbraw/zinc/76/88/70/573768870.db2.gz PYXJAWGPXJQMIN-UHFFFAOYSA-N 0 0 173.162 2.342 10 0 AEAERN CC[C@](C)(O)Cc1ccncc1Cl 84085923 573768893 /nfs/dbraw/zinc/76/88/93/573768893.db2.gz PHCCNMUFCUUSRD-JTQLQIEISA-N 0 0 199.681 2.439 10 0 AEAERN Cc1cc(C(F)F)c(=O)[nH]c1C 238509845 573768899 /nfs/dbraw/zinc/76/88/99/573768899.db2.gz GHCDSUTZRGLJDM-UHFFFAOYSA-N 0 0 173.162 2.342 10 0 AEAERN CC1(C)C[C@@H](C(C)(C)C)C[C@H](O)C1=O 238097181 573768933 /nfs/dbraw/zinc/76/89/33/573768933.db2.gz QYUWKLNKRIVIJV-IUCAKERBSA-N 0 0 198.306 2.399 10 0 AEAERN O[C@H]1CCc2ccccc2C12CCC2 259177294 573768965 /nfs/dbraw/zinc/76/89/65/573768965.db2.gz ICCNBECXGKZFRK-LBPRGKRZSA-N 0 0 188.270 2.415 10 0 AEAERN C[C@H](CO)CCc1ccncc1Cl 84088857 573769009 /nfs/dbraw/zinc/76/90/09/573769009.db2.gz LDIJQTTUFXSAFV-QMMMGPOBSA-N 0 0 199.681 2.296 10 0 AEAERN CC1=Nc2nc3c(n2CC1)CCCC3 76095050 573769027 /nfs/dbraw/zinc/76/90/27/573769027.db2.gz MWMRBWZRVSNQMP-UHFFFAOYSA-N 0 0 189.262 2.258 10 0 AEAERN Cc1ncsc1-c1cc[nH]c1 238508859 573769098 /nfs/dbraw/zinc/76/90/98/573769098.db2.gz SVEBTYFNOXFHDH-UHFFFAOYSA-N 0 0 164.233 2.447 10 0 AEAERN Oc1ccccc1Oc1ncco1 257870842 573769130 /nfs/dbraw/zinc/76/91/30/573769130.db2.gz HZGXDUTWHULKBZ-UHFFFAOYSA-N 0 0 177.159 2.173 10 0 AEAERN C[C@H]1CNc2cc(C=O)ccc21 258124634 573769156 /nfs/dbraw/zinc/76/91/56/573769156.db2.gz PHEIHBVVHMXLBD-ZETCQYMHSA-N 0 0 161.204 2.028 10 0 AEAERN c1cc2ccc(OCC3CC3)nc2[nH]1 257872418 573769181 /nfs/dbraw/zinc/76/91/81/573769181.db2.gz TXQYLOBSADUOQE-UHFFFAOYSA-N 0 0 188.230 2.352 10 0 AEAERN CC(C)(C)OC(=O)N[C@@H]1CC12CC2 238101518 573771416 /nfs/dbraw/zinc/77/14/16/573771416.db2.gz VLJGZYAMRYMLKH-SSDOTTSWSA-N 0 0 183.251 2.064 10 0 AEAERN c1cc(-c2nc[nH]c2C2CC2)ccn1 238096563 573770118 /nfs/dbraw/zinc/77/01/18/573770118.db2.gz OXBGYCWPMODBRW-UHFFFAOYSA-N 0 0 185.230 2.349 10 0 AEAERN CC[C@@H](C)[C@H]([NH3+])C1(C(=O)[O-])CCCC1 308712235 573770121 /nfs/dbraw/zinc/77/01/21/573770121.db2.gz ZKSIEMRTJVORFX-BDAKNGLRSA-N 0 0 199.294 2.005 10 0 AEAERN COC[C@H](C)[C@H](C)Nc1ccccn1 308712415 573770163 /nfs/dbraw/zinc/77/01/63/573770163.db2.gz ZMXXHOASQPDXPX-UWVGGRQHSA-N 0 0 194.278 2.165 10 0 AEAERN COC[C@@H](C)[C@@H](C)Nc1ccccn1 308712412 573770083 /nfs/dbraw/zinc/77/00/83/573770083.db2.gz ZMXXHOASQPDXPX-NXEZZACHSA-N 0 0 194.278 2.165 10 0 AEAERN CC/C(=C\C[NH2+]C[C@@H](C)CC)C(=O)[O-] 308435433 573771421 /nfs/dbraw/zinc/77/14/21/573771421.db2.gz MLSLGMXOWRJRQW-CMWXKVOJSA-N 0 0 199.294 2.043 10 0 AEAERN Cc1cc(C[C@@H](C)O)cc(F)c1F 258126444 573772372 /nfs/dbraw/zinc/77/23/72/573772372.db2.gz RAQAARWDSJEGDI-SSDOTTSWSA-N 0 0 186.201 2.197 10 0 AEAERN Cc1cc(C[C@H](C)O)cc(F)c1F 258126447 573772344 /nfs/dbraw/zinc/77/23/44/573772344.db2.gz RAQAARWDSJEGDI-ZETCQYMHSA-N 0 0 186.201 2.197 10 0 AEAERN Cn1cc2c(c1)C(=O)C(C)(C)C=C2 238511776 573772346 /nfs/dbraw/zinc/77/23/46/573772346.db2.gz GPQVLJBBJVFDAH-UHFFFAOYSA-N 0 0 175.231 2.261 10 0 AEAERN Cc1cc(C(F)F)c(N)nc1C 238508752 573771118 /nfs/dbraw/zinc/77/11/18/573771118.db2.gz ZDUXFDMWZGPTPI-UHFFFAOYSA-N 0 0 172.178 2.218 10 0 AEAERN COCC1(c2cccc(N)c2)CCC1 259620496 573771147 /nfs/dbraw/zinc/77/11/47/573771147.db2.gz FFTAQZJSMBIFQB-UHFFFAOYSA-N 0 0 191.274 2.337 10 0 AEAERN Cc1ccn2c(OC3CC3)cnc2c1 238509973 573771174 /nfs/dbraw/zinc/77/11/74/573771174.db2.gz WQJRBTSRLHOBGD-UHFFFAOYSA-N 0 0 188.230 2.184 10 0 AEAERN C[S@](=O)c1ccc2ccoc2c1 238509431 573771200 /nfs/dbraw/zinc/77/12/00/573771200.db2.gz NFIQMILPZVBLSD-LBPRGKRZSA-N 0 0 180.228 2.170 10 0 AEAERN O=C1C=C/C(=C/C=C\c2ccccc2)N1 308712704 573771201 /nfs/dbraw/zinc/77/12/01/573771201.db2.gz YQIODTQBHJQYTP-PNLRFAOHSA-N 0 0 197.237 2.270 10 0 AEAERN Cc1nc(C)c(C(F)F)cc1C=O 238510158 573771205 /nfs/dbraw/zinc/77/12/05/573771205.db2.gz DIZPTHWLJDVILI-UHFFFAOYSA-N 0 0 185.173 2.449 10 0 AEAERN C[C@H]1CCc2c(Cl)ncn2C1 258125493 573771238 /nfs/dbraw/zinc/77/12/38/573771238.db2.gz GAEMTTDDJXGNRZ-LURJTMIESA-N 0 0 170.643 2.119 10 0 AEAERN Cc1ccccc1Oc1nc(N)c[nH]1 257874661 573771248 /nfs/dbraw/zinc/77/12/48/573771248.db2.gz IUIMHEPQQCNXHL-UHFFFAOYSA-N 0 0 189.218 2.093 10 0 AEAERN O=C(Nc1ccccc1)[C@@H]1[C@H]2C=CC[C@@H]12 308713507 573771272 /nfs/dbraw/zinc/77/12/72/573771272.db2.gz OBRDPYLSHFKUSJ-QJPTWQEYSA-N 0 0 199.253 2.447 10 0 AEAERN CC(=O)CCc1ccncc1Cl 84085433 573771279 /nfs/dbraw/zinc/77/12/79/573771279.db2.gz VEFXMXVFAVBCLC-UHFFFAOYSA-N 0 0 183.638 2.257 10 0 AEAERN COC(=O)[C@H]1C(C)(C)C12CCCC2 259567667 573771810 /nfs/dbraw/zinc/77/18/10/573771810.db2.gz IWPJVUGZEUWHPJ-QMMMGPOBSA-N 0 0 182.263 2.376 10 0 AEAERN Cn1c(Cl)cnc1-c1ccco1 258513941 573771305 /nfs/dbraw/zinc/77/13/05/573771305.db2.gz LDUORKGIIYIVNM-UHFFFAOYSA-N 0 0 182.610 2.334 10 0 AEAERN CC/C(=C\C[NH2+]C[C@H](C)CC)C(=O)[O-] 308435434 573771812 /nfs/dbraw/zinc/77/18/12/573771812.db2.gz MLSLGMXOWRJRQW-ZFZMKPAXSA-N 0 0 199.294 2.043 10 0 AEAERN Cn1c(Cl)cnc1-c1ccccn1 258513897 573771336 /nfs/dbraw/zinc/77/13/36/573771336.db2.gz LDCCOFANJVNNJH-UHFFFAOYSA-N 0 0 193.637 2.136 10 0 AEAERN O[C@@H](Cc1ccncc1Cl)C1CC1 84086095 573771374 /nfs/dbraw/zinc/77/13/74/573771374.db2.gz UFAXLKOJFLZRCH-JTQLQIEISA-N 0 0 197.665 2.048 10 0 AEAERN CC(=O)[C@@]1(C)SC=CCS1 238101824 573771377 /nfs/dbraw/zinc/77/13/77/573771377.db2.gz CRAANSIBMDPLSX-ZETCQYMHSA-N 0 0 174.290 2.285 10 0 AEAERN C[C@@H](CO)c1ccc2ccn(C)c2c1 257875262 573771405 /nfs/dbraw/zinc/77/14/05/573771405.db2.gz IXAIHOVKJHYNID-VIFPVBQESA-N 0 0 189.258 2.274 10 0 AEAERN Cc1cc(C(F)F)cc(=O)[nH]1 238511696 573771450 /nfs/dbraw/zinc/77/14/50/573771450.db2.gz OQGWBRFOUHWVGF-UHFFFAOYSA-N 0 0 159.135 2.033 10 0 AEAERN C[C@H]1Nc2c(F)cccc2SC1=O 258422689 573771466 /nfs/dbraw/zinc/77/14/66/573771466.db2.gz DYELZFXYJZJGNS-RXMQYKEDSA-N 0 0 197.234 2.258 10 0 AEAERN COc1cc(C=O)cc(F)c1Cl 108365989 573771480 /nfs/dbraw/zinc/77/14/80/573771480.db2.gz FFZOORIKBOMPIJ-UHFFFAOYSA-N 0 0 188.585 2.300 10 0 AEAERN C[C@]12CCCC[C@H]1C[C@@H]1C(=O)N[C@@H]1C2 238511609 573771524 /nfs/dbraw/zinc/77/15/24/573771524.db2.gz LWQHTLAFEODCSX-UXCLJVHYSA-N 0 0 193.290 2.091 10 0 AEAERN Cc1ccc2[nH]cc(CO)c2c1C 238511149 573771552 /nfs/dbraw/zinc/77/15/52/573771552.db2.gz WAWRHHCYFDQZPZ-UHFFFAOYSA-N 0 0 175.231 2.277 10 0 AEAERN CS[C@H]1CCCCC[C@H]1O 84083115 573771586 /nfs/dbraw/zinc/77/15/86/573771586.db2.gz ZOLIJXABOOYZKB-SFYZADRCSA-N 0 0 160.282 2.043 10 0 AEAERN CSCCc1ccccc1O 259620809 573771591 /nfs/dbraw/zinc/77/15/91/573771591.db2.gz FHSAFXBXTZMJPI-UHFFFAOYSA-N 0 0 168.261 2.298 10 0 AEAERN CS[C@H]1CCCCC[C@@H]1O 84083113 573771615 /nfs/dbraw/zinc/77/16/15/573771615.db2.gz ZOLIJXABOOYZKB-YUMQZZPRSA-N 0 0 160.282 2.043 10 0 AEAERN C/C(=C\C[NH2+][C@@H](C)CC(C)C)C(=O)[O-] 308435423 573771639 /nfs/dbraw/zinc/77/16/39/573771639.db2.gz MJDMNROZERPIQH-CYNRKNSPSA-N 0 0 199.294 2.042 10 0 AEAERN Cc1ccc(N)c([Si](C)(C)C)c1 238510253 573771671 /nfs/dbraw/zinc/77/16/71/573771671.db2.gz GXCXCPSSILQQJZ-UHFFFAOYSA-N 0 0 179.339 2.122 10 0 AEAERN COC(=O)[C@@H](F)c1cc(C)ccc1C 257874374 573771723 /nfs/dbraw/zinc/77/17/23/573771723.db2.gz UFGOYLWGIZPKTC-JTQLQIEISA-N 0 0 196.221 2.487 10 0 AEAERN C[C@H](SCCO)c1ccc(N)cc1 40909344 573771736 /nfs/dbraw/zinc/77/17/36/573771736.db2.gz BNUYMZZIUINWBV-QMMMGPOBSA-N 0 0 197.303 2.055 10 0 AEAERN CC(C)(CCO)C1(O)CCCCC1 238100169 573771821 /nfs/dbraw/zinc/77/18/21/573771821.db2.gz DOORGMIIBZWUMU-UHFFFAOYSA-N 0 0 186.295 2.090 10 0 AEAERN O=Cc1oncc1-c1ccc(F)cc1 257875411 573771883 /nfs/dbraw/zinc/77/18/83/573771883.db2.gz ZDJQIZKOFQPAAX-UHFFFAOYSA-N 0 0 191.161 2.293 10 0 AEAERN C[C@@H]1Nc2c(F)cccc2SC1=O 258422694 573771891 /nfs/dbraw/zinc/77/18/91/573771891.db2.gz DYELZFXYJZJGNS-YFKPBYRVSA-N 0 0 197.234 2.258 10 0 AEAERN C[C@H](C1CC1)[C@@H](NN)C1CCCC1 127073176 573771901 /nfs/dbraw/zinc/77/19/01/573771901.db2.gz RXQGDNMYFOZPRL-LDYMZIIASA-N 0 0 182.311 2.055 10 0 AEAERN Cc1cnccc1-c1ncccc1N 122613665 573771940 /nfs/dbraw/zinc/77/19/40/573771940.db2.gz PPVNVMZIWZAQOT-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1ccc([C@H](O)[C@@]2(C)C[C@@H]2C)cn1 715347596 573771998 /nfs/dbraw/zinc/77/19/98/573771998.db2.gz OTSNWBUNUWDFJX-UWJYBYFXSA-N 0 0 191.274 2.470 10 0 AEAERN C[C@@](O)(CCC1CCOCC1)C1CC1 308714599 573772009 /nfs/dbraw/zinc/77/20/09/573772009.db2.gz AQKTXUCHJFRJOR-GFCCVEGCSA-N 0 0 198.306 2.354 10 0 AEAERN CCn1cc(C)nc1CSC 257874768 573772109 /nfs/dbraw/zinc/77/21/09/573772109.db2.gz IXKODZYWUBFKNN-UHFFFAOYSA-N 0 0 170.281 2.074 10 0 AEAERN Cc1ccncc1-c1ncccc1N 122613891 573772121 /nfs/dbraw/zinc/77/21/21/573772121.db2.gz QEISAUXJMPIQTB-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Clc1ccc2c(c1)[C@@H]1O[C@@H]1N2 238510226 573772128 /nfs/dbraw/zinc/77/21/28/573772128.db2.gz GWHHIOVBHLRJOS-YUMQZZPRSA-N 0 0 167.595 2.163 10 0 AEAERN C[C@]12CCCC[C@H]1O[C@@H](O)CC2 238511769 573772217 /nfs/dbraw/zinc/77/22/17/573772217.db2.gz MNQWDYLWPHHJGD-OPRDCNLKSA-N 0 0 170.252 2.064 10 0 AEAERN CCCCCOc1cc(CO)ccn1 40884152 573772278 /nfs/dbraw/zinc/77/22/78/573772278.db2.gz HIDSDOMDDOLFJS-UHFFFAOYSA-N 0 0 195.262 2.143 10 0 AEAERN C[C@@]12C=C[C@@H](CCCC1)C2=O 238510533 573772286 /nfs/dbraw/zinc/77/22/86/573772286.db2.gz JOXWFWZZAQTJBZ-SCZZXKLOSA-N 0 0 150.221 2.322 10 0 AEAERN COc1c(C[C@H](C)O)ccc(C)c1F 258126513 573774013 /nfs/dbraw/zinc/77/40/13/573774013.db2.gz RCRFIPHVUZQHCX-QMMMGPOBSA-N 0 0 198.237 2.066 10 0 AEAERN CCC[C@H](C)N[C@H](C)c1noc(C)n1 308716417 573774125 /nfs/dbraw/zinc/77/41/25/573774125.db2.gz BHRIUBNBNQNYBQ-JGVFFNPUSA-N 0 0 197.282 2.217 10 0 AEAERN Cc1ccc([C@@H]2CCC(=O)C2)cc1N 238510985 573775847 /nfs/dbraw/zinc/77/58/47/573775847.db2.gz PFHASUKLOUGSKO-SECBINFHSA-N 0 0 189.258 2.414 10 0 AEAERN CCC[C@@H](C)N[C@H](C)c1noc(C)n1 308716416 573776141 /nfs/dbraw/zinc/77/61/41/573776141.db2.gz BHRIUBNBNQNYBQ-HTQZYQBOSA-N 0 0 197.282 2.217 10 0 AEAERN Cc1cc(C)c(N(C)CCO)cc1C 258936794 573775888 /nfs/dbraw/zinc/77/58/88/573775888.db2.gz HLBSAXJCSSDKNI-UHFFFAOYSA-N 0 0 193.290 2.040 10 0 AEAERN CNc1c(C)cc2ccccn12 259620764 573775896 /nfs/dbraw/zinc/77/58/96/573775896.db2.gz WCZOSDWGYPRVSQ-UHFFFAOYSA-N 0 0 160.220 2.289 10 0 AEAERN Nc1ccc2c(c1)SCCCN2 259181020 573775898 /nfs/dbraw/zinc/77/58/98/573775898.db2.gz JSLPMZSAASVZHQ-UHFFFAOYSA-N 0 0 180.276 2.177 10 0 AEAERN Cc1ccc2c(c1)CC[C@H](O)[C@@H]2C 259181223 573775740 /nfs/dbraw/zinc/77/57/40/573775740.db2.gz IFXRCQLYMPSRKQ-SKDRFNHKSA-N 0 0 176.259 2.406 10 0 AEAERN CC(C)c1nn(C)c2cc(O)ccc12 257874408 573775781 /nfs/dbraw/zinc/77/57/81/573775781.db2.gz UFSLELDVRYZAGM-UHFFFAOYSA-N 0 0 190.246 2.402 10 0 AEAERN C[C@]1(C2CCCCCC2)COC(=O)N1 257875398 573775842 /nfs/dbraw/zinc/77/58/42/573775842.db2.gz ULHMRAFIWYJGCK-LLVKDONJSA-N 0 0 197.278 2.455 10 0 AEAERN Cc1ncccc1[C@H](O)[C@H](C)C1CC1 715181486 573775933 /nfs/dbraw/zinc/77/59/33/573775933.db2.gz REPVDWDRQDOLHY-PRHODGIISA-N 0 0 191.274 2.470 10 0 AEAERN CC(=O)CC[C@H]1C=CCC1 238102160 573775947 /nfs/dbraw/zinc/77/59/47/573775947.db2.gz HCRJSFGVANRGRM-VIFPVBQESA-N 0 0 138.210 2.322 10 0 AEAERN Cc1cn(C)c2cc(C=O)ccc12 258127138 573775984 /nfs/dbraw/zinc/77/59/84/573775984.db2.gz PNOPMBWVPVJFAP-UHFFFAOYSA-N 0 0 173.215 2.299 10 0 AEAERN OC/C=C/c1cccc(Cl)c1F 224669536 573776238 /nfs/dbraw/zinc/77/62/38/573776238.db2.gz NLETXAYTNMFAMA-DUXPYHPUSA-N 0 0 186.613 2.485 10 0 AEAERN Cc1ccc(F)c(-c2c[nH]nc2N)c1 258126389 573776212 /nfs/dbraw/zinc/77/62/12/573776212.db2.gz QYNIYCHGTRNNBL-UHFFFAOYSA-N 0 0 191.209 2.106 10 0 AEAERN COC(=O)[C@@]1(c2cccs2)C[C@@H]1C 258936151 573776221 /nfs/dbraw/zinc/77/62/21/573776221.db2.gz BPHYCKXRIZSNRS-XVKPBYJWSA-N 0 0 196.271 2.199 10 0 AEAERN CCC[C@@H](F)CC(C)=O 257875428 573777433 /nfs/dbraw/zinc/77/74/33/573777433.db2.gz ZEBRNIHNOOXKPQ-SSDOTTSWSA-N 0 0 132.178 2.104 10 0 AEAERN C[C@H](O)c1c(F)cc2cc[nH]c2c1F 258118506 573777091 /nfs/dbraw/zinc/77/70/91/573777091.db2.gz QGHGFBUORJZRHJ-YFKPBYRVSA-N 0 0 197.184 2.499 10 0 AEAERN Cc1ccc(N)cc1[C@@H]1CCC(=O)C1 238513719 573777103 /nfs/dbraw/zinc/77/71/03/573777103.db2.gz WZYPGNOTPLQSGD-SECBINFHSA-N 0 0 189.258 2.414 10 0 AEAERN CC(C)(C)[C@]1(C)CCC[C@H](O)O1 238107561 573777303 /nfs/dbraw/zinc/77/73/03/573777303.db2.gz JKHUUGCGRDUHAR-SCZZXKLOSA-N 0 0 172.268 2.310 10 0 AEAERN Cc1cc2[nH]c3ccccc3n2n1 100177968 573777309 /nfs/dbraw/zinc/77/73/09/573777309.db2.gz IHDHUWAQXNEVPO-UHFFFAOYSA-N 0 0 171.203 2.124 10 0 AEAERN Cc1c(O)cc(N)c(C(C)(C)C)c1N 238512992 573777327 /nfs/dbraw/zinc/77/73/27/573777327.db2.gz XFFRJNUFJZTBCX-UHFFFAOYSA-N 0 0 194.278 2.163 10 0 AEAERN CC(=O)Cc1cc(F)cc(F)c1C 108370041 573777361 /nfs/dbraw/zinc/77/73/61/573777361.db2.gz PJQIRLWTPHVKHY-UHFFFAOYSA-N 0 0 184.185 2.405 10 0 AEAERN CC(C)Cc1ccc(NCO)cc1 258936095 573777384 /nfs/dbraw/zinc/77/73/84/573777384.db2.gz POMBGBISDQNUKJ-UHFFFAOYSA-N 0 0 179.263 2.247 10 0 AEAERN CC(C)/C=C/C=C/[C@H](C)O 238108561 573777469 /nfs/dbraw/zinc/77/74/69/573777469.db2.gz FYBMCRGAYKXLCC-IRUBRMGNSA-N 0 0 140.226 2.136 10 0 AEAERN COC(=O)[C@]1(c2cccs2)C[C@@H]1C 258936142 573777478 /nfs/dbraw/zinc/77/74/78/573777478.db2.gz BPHYCKXRIZSNRS-OIBJUYFYSA-N 0 0 196.271 2.199 10 0 AEAERN CC(=O)CCc1[nH]c(C)cc1C 238106715 573777531 /nfs/dbraw/zinc/77/75/31/573777531.db2.gz YFGHLEKPSIQQAM-UHFFFAOYSA-N 0 0 165.236 2.153 10 0 AEAERN CC(=O)CCNc1ccc(F)cc1F 258936086 573777538 /nfs/dbraw/zinc/77/75/38/573777538.db2.gz POKKIXVNUZMDFG-UHFFFAOYSA-N 0 0 199.200 2.356 10 0 AEAERN CC1=C(C)S[C@H](C)[C@@H](O)C1 238512642 573777581 /nfs/dbraw/zinc/77/75/81/573777581.db2.gz PZLJBEYICKZWGP-SFYZADRCSA-N 0 0 158.266 2.167 10 0 AEAERN COc1ccc2c(c1)NCC1(CC1)N2 125086575 573777587 /nfs/dbraw/zinc/77/75/87/573777587.db2.gz NONDZOHIVGOTFC-UHFFFAOYSA-N 0 0 190.246 2.065 10 0 AEAERN C[C@@H]1C(=O)c2ccc(O)cc2[C@@H]1C 238512438 573778247 /nfs/dbraw/zinc/77/82/47/573778247.db2.gz ZOPGZJLSZBDCCG-RQJHMYQMSA-N 0 0 176.215 2.328 10 0 AEAERN Cc1cccc([C@@]2(C)CC[C@H]2O)c1 238512092 573778256 /nfs/dbraw/zinc/77/82/56/573778256.db2.gz DNWCSZQZTMNSJL-VXGBXAGGSA-N 0 0 176.259 2.407 10 0 AEAERN CC(C)(C)[C@@H]1CCCN(N)CC1 87100898 573778257 /nfs/dbraw/zinc/77/82/57/573778257.db2.gz MNXARSJBDRHQTO-SECBINFHSA-N 0 0 170.300 2.008 10 0 AEAERN COCc1ccc(C(C)=O)s1 108367750 573777741 /nfs/dbraw/zinc/77/77/41/573777741.db2.gz WCIDBPDGGIIZNX-UHFFFAOYSA-N 0 0 170.233 2.097 10 0 AEAERN CC(=O)Cc1cc(F)c(F)cc1C 108370046 573777804 /nfs/dbraw/zinc/77/78/04/573777804.db2.gz NBJNBKIEGWUKHP-UHFFFAOYSA-N 0 0 184.185 2.405 10 0 AEAERN Cc1ccc(Cl)c(CON)c1F 258118618 573777815 /nfs/dbraw/zinc/77/78/15/573777815.db2.gz QIJNGSJYWPTTKX-UHFFFAOYSA-N 0 0 189.617 2.178 10 0 AEAERN Cn1cccc1[C@H]1CCCCC1=O 238513160 573777854 /nfs/dbraw/zinc/77/78/54/573777854.db2.gz RULBGRKPNQLHPR-SECBINFHSA-N 0 0 177.247 2.252 10 0 AEAERN Cc1cc(Cl)c(N)cc1F 125084793 573777863 /nfs/dbraw/zinc/77/78/63/573777863.db2.gz IBBUEZSRLXIIRT-UHFFFAOYSA-N 0 0 159.591 2.370 10 0 AEAERN COc1cc(C)cc([C@@H](C)CO)c1 258117860 573777887 /nfs/dbraw/zinc/77/78/87/573777887.db2.gz ZSPHNNKYWFLYCH-VIFPVBQESA-N 0 0 180.247 2.099 10 0 AEAERN Cc1cnc(C)c(C(F)F)c1CO 238512232 573777908 /nfs/dbraw/zinc/77/79/08/573777908.db2.gz BVIUGCSDTCOFKE-UHFFFAOYSA-N 0 0 187.189 2.128 10 0 AEAERN Cc1cccc([C@@]2(C)CC[C@@H]2O)c1 238512052 573777960 /nfs/dbraw/zinc/77/79/60/573777960.db2.gz DNWCSZQZTMNSJL-NWDGAFQWSA-N 0 0 176.259 2.407 10 0 AEAERN OC1(c2ccccc2OC2CC2)CC1 258118632 573777965 /nfs/dbraw/zinc/77/79/65/573777965.db2.gz QIYOVDKRQCQBAC-UHFFFAOYSA-N 0 0 190.242 2.209 10 0 AEAERN c1ccn2nc3c(c2c1)CCCC3 238108332 573778019 /nfs/dbraw/zinc/77/80/19/573778019.db2.gz BNVSDPSKAFGQJM-UHFFFAOYSA-N 0 0 172.231 2.213 10 0 AEAERN CC(C)/C=C/C=C/[C@@H](C)O 238108371 573778053 /nfs/dbraw/zinc/77/80/53/573778053.db2.gz FYBMCRGAYKXLCC-OIASJMIUSA-N 0 0 140.226 2.136 10 0 AEAERN OCc1ccc2cccc(F)c2c1 108368906 573778064 /nfs/dbraw/zinc/77/80/64/573778064.db2.gz GDPDKOCBZYVVKY-UHFFFAOYSA-N 0 0 176.190 2.471 10 0 AEAERN CN(C)c1ccccc1C(C)(C)CO 258118525 573778097 /nfs/dbraw/zinc/77/80/97/573778097.db2.gz QGPOOGNXSOUDSJ-UHFFFAOYSA-N 0 0 193.290 2.023 10 0 AEAERN CC(C)c1ncnc(Cl)c1F 108368721 573778145 /nfs/dbraw/zinc/77/81/45/573778145.db2.gz TXNBLDZOBDBVQC-UHFFFAOYSA-N 0 0 174.606 2.393 10 0 AEAERN CC[C@@H]1CCCC[C@@H]1OC[C@H](C)O 131186877 573778226 /nfs/dbraw/zinc/77/82/26/573778226.db2.gz ZVFWOSGDQQJHLQ-AXFHLTTASA-N 0 0 186.295 2.353 10 0 AEAERN CC(C)c1ccc2c(c1)[C@@H](O)CO2 84150448 573779465 /nfs/dbraw/zinc/77/94/65/573779465.db2.gz OFVJPYWYXLHSBU-JTQLQIEISA-N 0 0 178.231 2.236 10 0 AEAERN CCc1cccc2c1O[C@H](CC)[C@H]2O 84150682 573779475 /nfs/dbraw/zinc/77/94/75/573779475.db2.gz QMMZJBPVUVFLFV-MNOVXSKESA-N 0 0 192.258 2.453 10 0 AEAERN Cc1cnc(C)c([C@H](O)C(C)(C)C)n1 238513365 573779476 /nfs/dbraw/zinc/77/94/76/573779476.db2.gz 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198.306 2.399 10 0 AEAERN Cc1cc(C(F)F)nc(F)c1O 238518163 573789227 /nfs/dbraw/zinc/78/92/27/573789227.db2.gz QWTUFWCAXPNLDY-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN O=Cc1ccc(/C=C/c2ccccn2)[nH]1 308742445 573789270 /nfs/dbraw/zinc/78/92/70/573789270.db2.gz WLOJEQFGIZHARS-SNAWJCMRSA-N 0 0 198.225 2.393 10 0 AEAERN C[C@H]1CCCC[C@@H]1C1OCCO1 214910810 573789300 /nfs/dbraw/zinc/78/93/00/573789300.db2.gz UHOZIZXUUUKBLZ-IUCAKERBSA-N 0 0 170.252 2.186 10 0 AEAERN CC[C@@H](F)CNc1cccc(CO)c1 308724744 573789665 /nfs/dbraw/zinc/78/96/65/573789665.db2.gz FXWWYWQBCQRLAQ-SNVBAGLBSA-N 0 0 197.253 2.339 10 0 AEAERN C[C@H](Sc1ccccc1N)[C@@H](C)O 87131209 573789700 /nfs/dbraw/zinc/78/97/00/573789700.db2.gz WDKNFKIBKNPYLS-SFYZADRCSA-N 0 0 197.303 2.130 10 0 AEAERN C[C@@]12C=CC[C@@H](CCC1)C2=O 238516937 573789932 /nfs/dbraw/zinc/78/99/32/573789932.db2.gz SGCNLVVRXFENBI-WCBMZHEXSA-N 0 0 150.221 2.322 10 0 AEAERN CC(C)(C)OC(=O)C1(C)CC1 238116449 573790013 /nfs/dbraw/zinc/79/00/13/573790013.db2.gz FQARZAWXGHSTNR-UHFFFAOYSA-N 0 0 156.225 2.128 10 0 AEAERN Cc1cc(Cl)nc2c1COCC2 238518263 573790091 /nfs/dbraw/zinc/79/00/91/573790091.db2.gz ZLINXRQUAFOMDJ-UHFFFAOYSA-N 0 0 183.638 2.116 10 0 AEAERN Cc1ccc2c(C)cc(=O)[nH]c2c1N 238517053 573790103 /nfs/dbraw/zinc/79/01/03/573790103.db2.gz ZGPYXBKNLVEMJR-UHFFFAOYSA-N 0 0 188.230 2.139 10 0 AEAERN Cc1cnc(CC(F)(F)F)c(N)c1 238517110 573790130 /nfs/dbraw/zinc/79/01/30/573790130.db2.gz JYYULIUZWBXUKV-UHFFFAOYSA-N 0 0 190.168 2.077 10 0 AEAERN CC/C(=C\C[NH2+]C(CC)CC)C(=O)[O-] 308439929 573790152 /nfs/dbraw/zinc/79/01/52/573790152.db2.gz YJLMFDUMOAJXHV-VQHVLOKHSA-N 0 0 199.294 2.186 10 0 AEAERN CC(=O)C[C@@H]1CCC(C)(C)OC1 238116658 573790159 /nfs/dbraw/zinc/79/01/59/573790159.db2.gz GFTQCTTWMYWBRD-VIFPVBQESA-N 0 0 170.252 2.171 10 0 AEAERN CC[C@@H](O)[C@@H](C)CCCCOC 131107531 573790165 /nfs/dbraw/zinc/79/01/65/573790165.db2.gz NVNRYLMETYXMKA-VHSXEESVSA-N 0 0 174.284 2.210 10 0 AEAERN C[C@H]1[C@@H]2CC[C@@H]2C(=O)[C@@]1(C)Cl 238517195 573790181 /nfs/dbraw/zinc/79/01/81/573790181.db2.gz FWMJMTUUCURRPK-AZRUVXNYSA-N 0 0 172.655 2.229 10 0 AEAERN Cc1c(F)cccc1N[C@H](C)[C@@H](C)O 87129126 573790184 /nfs/dbraw/zinc/79/01/84/573790184.db2.gz HRJBRZYJPYOIQX-RKDXNWHRSA-N 0 0 197.253 2.315 10 0 AEAERN C=Cn1c(C)c(C(C)=O)[nH]c1=S 238116445 573790210 /nfs/dbraw/zinc/79/02/10/573790210.db2.gz UPDYSOKDMDSVFU-UHFFFAOYSA-N 0 0 182.248 2.157 10 0 AEAERN Cc1c(N)cc(F)nc1C(F)F 238518148 573790263 /nfs/dbraw/zinc/79/02/63/573790263.db2.gz ADPVZOISXLSQSO-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN CC(F)(F)C1CCOCC1 258941869 573790286 /nfs/dbraw/zinc/79/02/86/573790286.db2.gz COQZEQWVBCBDKS-UHFFFAOYSA-N 0 0 150.168 2.068 10 0 AEAERN Cc1c(N)cc(N)c(C(C)(C)C)c1O 238518321 573790320 /nfs/dbraw/zinc/79/03/20/573790320.db2.gz VHSJLUYSLMIXQQ-UHFFFAOYSA-N 0 0 194.278 2.163 10 0 AEAERN CCc1noc(/C=C\C2CCC2)n1 308434094 573790367 /nfs/dbraw/zinc/79/03/67/573790367.db2.gz VEUQFMMJZGYSMS-SREVYHEPSA-N 0 0 178.235 2.445 10 0 AEAERN CCCCC[C@H](C)NC=CC(=O)OC 308433876 573790390 /nfs/dbraw/zinc/79/03/90/573790390.db2.gz HOCBACLFZXYGPN-QROTZFDESA-N 0 0 199.294 2.232 10 0 AEAERN Cc1cc(C(F)F)nc(F)c1N 238518105 573790403 /nfs/dbraw/zinc/79/04/03/573790403.db2.gz IGVZJHLSBBFDDC-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN CCCCc1noc([C@@H](C)OC)n1 308434012 573790431 /nfs/dbraw/zinc/79/04/31/573790431.db2.gz VCEMYABWQZPRJU-SSDOTTSWSA-N 0 0 184.239 2.120 10 0 AEAERN C[C@H](O)[C@H](C)Sc1cccc(N)c1 87131368 573790463 /nfs/dbraw/zinc/79/04/63/573790463.db2.gz IVKDDGQHQQGXQB-YUMQZZPRSA-N 0 0 197.303 2.130 10 0 AEAERN CC(=O)C[C@@H]1CC1=C(C)C 238116304 573790467 /nfs/dbraw/zinc/79/04/67/573790467.db2.gz UXMIYPNAHPONQW-MRVPVSSYSA-N 0 0 138.210 2.322 10 0 AEAERN Cc1cccc(CC(C)(C)C(N)=O)c1 238517228 573790492 /nfs/dbraw/zinc/79/04/92/573790492.db2.gz HIONIOKTXUASEW-UHFFFAOYSA-N 0 0 191.274 2.049 10 0 AEAERN CC[C@@H](CO)c1nc2ccccc2o1 259187904 573790494 /nfs/dbraw/zinc/79/04/94/573790494.db2.gz MCXOAHRSFBXZHS-QMMMGPOBSA-N 0 0 191.230 2.314 10 0 AEAERN CC[C@H]([NH2+]C/C=C(\C)C(=O)[O-])C(C)C 308434060 573790495 /nfs/dbraw/zinc/79/04/95/573790495.db2.gz IRSAARLFOGPMTK-ZKXNXJMVSA-N 0 0 199.294 2.042 10 0 AEAERN C[C@H]1C[C@@]2(C)CC[C@@H]1CC2=O 238517088 573790550 /nfs/dbraw/zinc/79/05/50/573790550.db2.gz UDPFAUUJXPINKG-QXFUBDJGSA-N 0 0 152.237 2.402 10 0 AEAERN C[C@H](Sc1cccc(N)c1)[C@@H](C)O 87131369 573790619 /nfs/dbraw/zinc/79/06/19/573790619.db2.gz IVKDDGQHQQGXQB-SFYZADRCSA-N 0 0 197.303 2.130 10 0 AEAERN Cc1nc2ccccc2cc1CCO 238504485 573790632 /nfs/dbraw/zinc/79/06/32/573790632.db2.gz SEFZCPFRPPENOK-UHFFFAOYSA-N 0 0 187.242 2.078 10 0 AEAERN CCC[C@@H](C)[NH2+]Cc1ncccc1[O-] 308721586 573790740 /nfs/dbraw/zinc/79/07/40/573790740.db2.gz DNQBVXUPYMOIAV-SECBINFHSA-N 0 0 194.278 2.065 10 0 AEAERN Cc1cc(C(F)F)nc(F)c1C=O 238517856 573790771 /nfs/dbraw/zinc/79/07/71/573790771.db2.gz NHASCBLUXRUSID-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN CC(=O)N[C@@H]1CCCC[C@]1(C)Cl 238116973 573790858 /nfs/dbraw/zinc/79/08/58/573790858.db2.gz JSGOBQBNIXPJOG-BDAKNGLRSA-N 0 0 189.686 2.063 10 0 AEAERN Cc1c(N)cc(N)c(C(C)(C)C)c1N 238518291 573790914 /nfs/dbraw/zinc/79/09/14/573790914.db2.gz WPTZAZDAHQKSRT-UHFFFAOYSA-N 0 0 193.294 2.039 10 0 AEAERN C[C@H](O)[C@H](C)Sc1ccccc1N 87131208 573790938 /nfs/dbraw/zinc/79/09/38/573790938.db2.gz WDKNFKIBKNPYLS-YUMQZZPRSA-N 0 0 197.303 2.130 10 0 AEAERN Cc1c(N)cc(C(F)F)nc1F 238517000 573790946 /nfs/dbraw/zinc/79/09/46/573790946.db2.gz MYLCJBHJTZTUQF-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN Cc1c(F)cccc1N[C@H](C)[C@H](C)O 87129130 573790972 /nfs/dbraw/zinc/79/09/72/573790972.db2.gz HRJBRZYJPYOIQX-BDAKNGLRSA-N 0 0 197.253 2.315 10 0 AEAERN O=Cc1coc(C2CCSCC2)n1 258130199 573790987 /nfs/dbraw/zinc/79/09/87/573790987.db2.gz QGOMGNDTJXYHLP-UHFFFAOYSA-N 0 0 197.259 2.098 10 0 AEAERN C[C@@H]1Cc2cccc(C=O)c2[C@H](O)C1 238504721 573790988 /nfs/dbraw/zinc/79/09/88/573790988.db2.gz YNMZUBVEHLRUAN-LDYMZIIASA-N 0 0 190.242 2.115 10 0 AEAERN COCCCC[C@H](C(C)C)[C@H](C)O 131106930 573791026 /nfs/dbraw/zinc/79/10/26/573791026.db2.gz GGXRINMWXUCSAS-WDEREUQCSA-N 0 0 188.311 2.456 10 0 AEAERN Cc1cc(C2(O)CCC2)ccc1O 238517644 573791103 /nfs/dbraw/zinc/79/11/03/573791103.db2.gz JFCAKYNYSURDCT-UHFFFAOYSA-N 0 0 178.231 2.072 10 0 AEAERN CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C1CC1 238116636 573791125 /nfs/dbraw/zinc/79/11/25/573791125.db2.gz PWYXXMIBUCJRJT-DTWKUNHWSA-N 0 0 197.278 2.310 10 0 AEAERN Cc1ccc2c(c1)OC(C)(C)[C@@H]2O 238504731 573791127 /nfs/dbraw/zinc/79/11/27/573791127.db2.gz ZYIREIBIQBCJOL-SNVBAGLBSA-N 0 0 178.231 2.199 10 0 AEAERN CCC[C@H](C)[NH2+]Cc1ncccc1[O-] 308721587 573791136 /nfs/dbraw/zinc/79/11/36/573791136.db2.gz DNQBVXUPYMOIAV-VIFPVBQESA-N 0 0 194.278 2.065 10 0 AEAERN Cc1ccc2c(C)c[nH]c2c1O 238516845 573791183 /nfs/dbraw/zinc/79/11/83/573791183.db2.gz UYHBYZYNOXSVED-UHFFFAOYSA-N 0 0 161.204 2.490 10 0 AEAERN CC(=O)c1[nH]cnc1-c1ccccc1 238117041 573791241 /nfs/dbraw/zinc/79/12/41/573791241.db2.gz GFBWFWJUQFYTOI-UHFFFAOYSA-N 0 0 186.214 2.279 10 0 AEAERN CCCC(C)(C)[NH2+]C/C(C)=C\C(=O)[O-] 308439871 573792030 /nfs/dbraw/zinc/79/20/30/573792030.db2.gz XRAGXVITUITUGW-CLFYSBASSA-N 0 0 199.294 2.186 10 0 AEAERN C[C@@H]1CNc2ccc(CO)cc2S1 259187912 573791247 /nfs/dbraw/zinc/79/12/47/573791247.db2.gz JZEKPVKJNWFNFG-SSDOTTSWSA-N 0 0 195.287 2.085 10 0 AEAERN CC[C@H](C)ONC(=O)C(C)(C)CC 308433977 573791285 /nfs/dbraw/zinc/79/12/85/573791285.db2.gz VBUDAZDHMXNJKU-QMMMGPOBSA-N 0 0 187.283 2.269 10 0 AEAERN Oc1ccc2c(c1)SC1(CC1)CN2 259187887 573792033 /nfs/dbraw/zinc/79/20/33/573792033.db2.gz JYYHTLKBHKFETR-UHFFFAOYSA-N 0 0 193.271 2.442 10 0 AEAERN Cc1cc(C(F)F)nc(Cl)n1 238517604 573791338 /nfs/dbraw/zinc/79/13/38/573791338.db2.gz UKTBKTUARUMILG-UHFFFAOYSA-N 0 0 178.569 2.376 10 0 AEAERN CC[C@@H](O)[C@H](C)CCCCOC 131107948 573792038 /nfs/dbraw/zinc/79/20/38/573792038.db2.gz NVNRYLMETYXMKA-NXEZZACHSA-N 0 0 174.284 2.210 10 0 AEAERN C[C@@H]1CCC(=O)[C@H]([C@@H](C)[C@@H](C)O)C1 87131749 573791431 /nfs/dbraw/zinc/79/14/31/573791431.db2.gz LXCIDSNPHJNIMY-RGOKHQFPSA-N 0 0 184.279 2.009 10 0 AEAERN Cc1c(F)cccc1N[C@@H](C)[C@@H](C)O 87129125 573791480 /nfs/dbraw/zinc/79/14/80/573791480.db2.gz HRJBRZYJPYOIQX-DTWKUNHWSA-N 0 0 197.253 2.315 10 0 AEAERN Nc1ncc(C2CCCC2)c(Cl)n1 258430714 573791645 /nfs/dbraw/zinc/79/16/45/573791645.db2.gz DLDUNQBWRMWZCJ-UHFFFAOYSA-N 0 0 197.669 2.370 10 0 AEAERN CCCCC[C@@H](C)NC=CC(=O)OC 308433873 573791647 /nfs/dbraw/zinc/79/16/47/573791647.db2.gz HOCBACLFZXYGPN-HSTULFTRSA-N 0 0 199.294 2.232 10 0 AEAERN C[C@@H](O)[C@@H](C)Sc1ccc(N)cc1 87131235 573791658 /nfs/dbraw/zinc/79/16/58/573791658.db2.gz NWTKDQOQQWSPOY-HTQZYQBOSA-N 0 0 197.303 2.130 10 0 AEAERN CNc1ncc(CCc2ccco2)o1 258944774 573791683 /nfs/dbraw/zinc/79/16/83/573791683.db2.gz YNJWTSWEHXBMMR-UHFFFAOYSA-N 0 0 192.218 2.095 10 0 AEAERN CNc1nc(C)c(-c2cc[nH]c2)o1 259187225 573791743 /nfs/dbraw/zinc/79/17/43/573791743.db2.gz PKXMPOSUOZGKSO-UHFFFAOYSA-N 0 0 177.207 2.020 10 0 AEAERN Cc1c(N)cc(N)c2ccccc12 238518365 573791877 /nfs/dbraw/zinc/79/18/77/573791877.db2.gz ISJXMZXKRNHADN-UHFFFAOYSA-N 0 0 172.231 2.313 10 0 AEAERN C[C@]12CCC[C@H]1CCC2=O 238518386 573791906 /nfs/dbraw/zinc/79/19/06/573791906.db2.gz YSTVWDGPJRGGPL-CBAPKCEASA-N 0 0 138.210 2.156 10 0 AEAERN C[C@H](O)[C@@H](C)Sc1ccc(N)cc1 87131234 573791935 /nfs/dbraw/zinc/79/19/35/573791935.db2.gz NWTKDQOQQWSPOY-JGVFFNPUSA-N 0 0 197.303 2.130 10 0 AEAERN Cc1ccc([C@@H]2CC[C@@H](O)C2)o1 238518474 573791947 /nfs/dbraw/zinc/79/19/47/573791947.db2.gz PMEJONWFACEIFO-RKDXNWHRSA-N 0 0 166.220 2.216 10 0 AEAERN Cc1cc2c(cc1C=O)c(C)nn2C 259569527 573791965 /nfs/dbraw/zinc/79/19/65/573791965.db2.gz WFVWBGQLYAHMQK-UHFFFAOYSA-N 0 0 188.230 2.003 10 0 AEAERN C[C@H](Sc1ccc(N)cc1)[C@@H](C)O 87131237 573791977 /nfs/dbraw/zinc/79/19/77/573791977.db2.gz NWTKDQOQQWSPOY-SFYZADRCSA-N 0 0 197.303 2.130 10 0 AEAERN CC(C)(C)[C@H]1COC(c2ccc[nH]2)=N1 238102960 573793297 /nfs/dbraw/zinc/79/32/97/573793297.db2.gz YIQOWABGPBDIPR-SECBINFHSA-N 0 0 192.262 2.206 10 0 AEAERN COCCCC[C@@H](C(C)C)[C@@H](C)O 131106721 573793307 /nfs/dbraw/zinc/79/33/07/573793307.db2.gz GGXRINMWXUCSAS-MNOVXSKESA-N 0 0 188.311 2.456 10 0 AEAERN Cc1cc([C@H]2CCC(=O)C2)ccc1N 238521355 573793311 /nfs/dbraw/zinc/79/33/11/573793311.db2.gz QYWIUQSYOOMNNM-JTQLQIEISA-N 0 0 189.258 2.414 10 0 AEAERN Cc1ccc2c(CO)c[nH]c2c1C 238520331 573793285 /nfs/dbraw/zinc/79/32/85/573793285.db2.gz IUTIOEFLCLEYRV-UHFFFAOYSA-N 0 0 175.231 2.277 10 0 AEAERN CC(C)(C)Oc1ccc(O)c(C=O)c1 238120050 573793021 /nfs/dbraw/zinc/79/30/21/573793021.db2.gz MSMAAIZIAZGUNV-UHFFFAOYSA-N 0 0 194.230 2.382 10 0 AEAERN Cc1cnc(CO)c(C(F)F)c1C 238521108 573793084 /nfs/dbraw/zinc/79/30/84/573793084.db2.gz NEFJHAHVHDNCBD-UHFFFAOYSA-N 0 0 187.189 2.128 10 0 AEAERN C/C(=C\C[NH2+][C@@H](C)C(C)(C)C)C(=O)[O-] 308440474 573793105 /nfs/dbraw/zinc/79/31/05/573793105.db2.gz YTYRUKQZMAVYLL-ORZBULNSSA-N 0 0 199.294 2.042 10 0 AEAERN CC(C)(O)C[C@@H]1CNc2ccccc21 257878265 573793221 /nfs/dbraw/zinc/79/32/21/573793221.db2.gz JJUDRHYXNRGGLD-SECBINFHSA-N 0 0 191.274 2.357 10 0 AEAERN CCCC1(c2nccnc2N)CCC1 686133055 573796288 /nfs/dbraw/zinc/79/62/88/573796288.db2.gz RBUJWMDQAXQYFM-UHFFFAOYSA-N 0 0 191.278 2.281 10 0 AEAERN CC(C)(O)C[C@H]1CNc2ccccc21 257878269 573796323 /nfs/dbraw/zinc/79/63/23/573796323.db2.gz JJUDRHYXNRGGLD-VIFPVBQESA-N 0 0 191.274 2.357 10 0 AEAERN Cc1cc(C(F)F)ncc1C=O 238521171 573796360 /nfs/dbraw/zinc/79/63/60/573796360.db2.gz OIWJTUVFTQSXEX-UHFFFAOYSA-N 0 0 171.146 2.140 10 0 AEAERN CCOC(=O)/C=C/C=C/C(C)C 33843296 573798658 /nfs/dbraw/zinc/79/86/58/573798658.db2.gz SFUYOPHWNDIHFL-KQQUZDAGSA-N 0 0 168.236 2.318 10 0 AEAERN C[C@H](O)Cc1ccsc1Cl 84288300 573798070 /nfs/dbraw/zinc/79/80/70/573798070.db2.gz QIATWGWFWHGURM-YFKPBYRVSA-N 0 0 176.668 2.325 10 0 AEAERN COC(C)(C)COc1ccccc1O 393590640 573796389 /nfs/dbraw/zinc/79/63/89/573796389.db2.gz IJSRURQZHQALCP-UHFFFAOYSA-N 0 0 196.246 2.196 10 0 AEAERN C[Si](C)(C)C1=C[C@H](O)CCC1 238521314 573796627 /nfs/dbraw/zinc/79/66/27/573796627.db2.gz 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DLMPWMSVAQNZEV-VIFPVBQESA-N 0 0 175.231 2.227 10 0 AEAERN CCSc1ccc(N(C)CO)cc1 258949838 573796943 /nfs/dbraw/zinc/79/69/43/573796943.db2.gz RGVSRDQZOKOFDK-UHFFFAOYSA-N 0 0 197.303 2.185 10 0 AEAERN O[C@@H](CC1CCCCC1)[C@@H](O)C1CC1 78642295 573797002 /nfs/dbraw/zinc/79/70/02/573797002.db2.gz OZLWCKSASASDMJ-RYUDHWBXSA-N 0 0 198.306 2.089 10 0 AEAERN CC(C)c1n[nH]c2ccc(N)cc12 76191254 573797038 /nfs/dbraw/zinc/79/70/38/573797038.db2.gz RGLYKCDEDRUTPH-UHFFFAOYSA-N 0 0 175.235 2.269 10 0 AEAERN c1ccc2c(c1)N[C@@]1(CCOC1)S2 238125727 573797122 /nfs/dbraw/zinc/79/71/22/573797122.db2.gz LXWUELYXFUTJEO-JTQLQIEISA-N 0 0 193.271 2.321 10 0 AEAERN Cc1nc(Cl)c2oc(C)cc2n1 238520741 573797198 /nfs/dbraw/zinc/79/71/98/573797198.db2.gz LYQSCODUENAVNB-UHFFFAOYSA-N 0 0 182.610 2.493 10 0 AEAERN CC(C)c1nn(C)c2ccc(N)cc12 76191307 573797212 /nfs/dbraw/zinc/79/72/12/573797212.db2.gz ZRYMDQHPPZTTNL-UHFFFAOYSA-N 0 0 189.262 2.279 10 0 AEAERN ClC1=Nc2cccnc2NCC1 238520643 573797225 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/nfs/dbraw/zinc/81/15/50/573811550.db2.gz ZENXUEOSILPPNT-QMMMGPOBSA-N 0 0 180.222 2.156 10 0 AEAERN CSc1cc(CF)nc(Cl)n1 257879285 573811554 /nfs/dbraw/zinc/81/15/54/573811554.db2.gz VCHJIEIUGXDYGS-UHFFFAOYSA-N 0 0 192.646 2.321 10 0 AEAERN O=C1CCSc2nc(Cl)ccc21 238529148 573811582 /nfs/dbraw/zinc/81/15/82/573811582.db2.gz BNEHLPKDHUSKEJ-UHFFFAOYSA-N 0 0 199.662 2.414 10 0 AEAERN CC[C@H](C)[C@](C)(CC)CO 87176186 573813672 /nfs/dbraw/zinc/81/36/72/573813672.db2.gz KCLJOUXKMGDESF-DTWKUNHWSA-N 0 0 144.258 2.441 10 0 AEAERN Oc1ccc(C[C@@H]2CCC[C@@H]2O)cc1 87182085 573813678 /nfs/dbraw/zinc/81/36/78/573813678.db2.gz XEWBCTQPIDEVRU-JQWIXIFHSA-N 0 0 192.258 2.096 10 0 AEAERN Nc1cc2ccc(=O)cc-2[nH]c1Cl 258141816 573812536 /nfs/dbraw/zinc/81/25/36/573812536.db2.gz RBLOFFRXJUVLLZ-UHFFFAOYSA-N 0 0 194.621 2.176 10 0 AEAERN C[C@H](O)c1c(Cl)ccc2c1CCO2 258141655 573812545 /nfs/dbraw/zinc/81/25/45/573812545.db2.gz NYJPVNKDSDRQAV-LURJTMIESA-N 0 0 198.649 2.328 10 0 AEAERN CC[C@@](C)(O)Cc1cccc(O)c1 87179440 573813701 /nfs/dbraw/zinc/81/37/01/573813701.db2.gz UVFZQUONNOIHJL-LLVKDONJSA-N 0 0 180.247 2.096 10 0 AEAERN CC(C)=C1CCC[C@@H](O)C1 238121328 573812607 /nfs/dbraw/zinc/81/26/07/573812607.db2.gz OBLHPQWUSIAGHI-SECBINFHSA-N 0 0 140.226 2.258 10 0 AEAERN Cc1nc(C[C@@H](C)C[C@H](C)O)cs1 84277399 573812611 /nfs/dbraw/zinc/81/26/11/573812611.db2.gz XWGGZNZFLNKYRK-YUMQZZPRSA-N 0 0 199.319 2.401 10 0 AEAERN CC(C)(C)[C@H](O)Cc1cccc(O)c1 87179868 573812619 /nfs/dbraw/zinc/81/26/19/573812619.db2.gz QXFLAFQYTZLWDQ-LLVKDONJSA-N 0 0 194.274 2.342 10 0 AEAERN CC(C)Cc1nnc2n1C[C@@H](C)CC2 258144856 573812638 /nfs/dbraw/zinc/81/26/38/573812638.db2.gz HNLPMBDRWZCFES-VIFPVBQESA-N 0 0 193.294 2.059 10 0 AEAERN O=c1[nH]c(-c2ccccc2O)cs1 257880443 573812639 /nfs/dbraw/zinc/81/26/39/573812639.db2.gz VKEWLJZWRYSSKF-UHFFFAOYSA-N 0 0 193.227 2.221 10 0 AEAERN CC(C)=C1C[C@H]2C(=O)CC[C@H]12 238124034 573812642 /nfs/dbraw/zinc/81/26/42/573812642.db2.gz FXQJIFHWOAMEMK-VXNVDRBHSA-N 0 0 150.221 2.322 10 0 AEAERN Oc1cccc(CC2=C[C@@H](O)CC2)c1 87184198 573812643 /nfs/dbraw/zinc/81/26/43/573812643.db2.gz GDCLWZGSVVXJFH-LBPRGKRZSA-N 0 0 190.242 2.016 10 0 AEAERN COCc1cccc(C(C)(C)O)c1F 258140870 573812657 /nfs/dbraw/zinc/81/26/57/573812657.db2.gz SKEJKCLHGLEFFI-UHFFFAOYSA-N 0 0 198.237 2.200 10 0 AEAERN C[C@H](OC(=O)C1CC1)c1ccco1 393591335 573812689 /nfs/dbraw/zinc/81/26/89/573812689.db2.gz RCCHKZCLXUFNHT-ZETCQYMHSA-N 0 0 180.203 2.294 10 0 AEAERN O=C(Cc1cccc(O)c1)C1CCC1 87180426 573813707 /nfs/dbraw/zinc/81/37/07/573813707.db2.gz SNQLQSKAFNQNSZ-UHFFFAOYSA-N 0 0 190.242 2.304 10 0 AEAERN Oc1cccc(C[C@@H]2CC[C@H](O)C2)c1 87184050 573812782 /nfs/dbraw/zinc/81/27/82/573812782.db2.gz DKMCTLSESAHLOO-JQWIXIFHSA-N 0 0 192.258 2.096 10 0 AEAERN C[C@@H](O)Cc1ccc2c(c1)OC[C@@H]2C 258139392 573812799 /nfs/dbraw/zinc/81/27/99/573812799.db2.gz QHTIGEXMPIXBQR-DTWKUNHWSA-N 0 0 192.258 2.106 10 0 AEAERN C[C@@H]1CCc2ccc([C@@H](C)O)cc2O1 258141000 573812812 /nfs/dbraw/zinc/81/28/12/573812812.db2.gz SOMIHBFZZIOZEG-RKDXNWHRSA-N 0 0 192.258 2.453 10 0 AEAERN O=Cc1cnoc1[C@@H]1CCCCS1 259197519 573812830 /nfs/dbraw/zinc/81/28/30/573812830.db2.gz KOLIBNUJVKLCKP-QMMMGPOBSA-N 0 0 197.259 2.445 10 0 AEAERN C[C@@H]1C[C@H]1C(=O)Cc1cccc(O)c1 87180546 573812915 /nfs/dbraw/zinc/81/29/15/573812915.db2.gz IXBIZIVPOYSJHW-LDYMZIIASA-N 0 0 190.242 2.160 10 0 AEAERN Oc1cccc(CC2=C[C@H](O)CC2)c1 87184197 573812955 /nfs/dbraw/zinc/81/29/55/573812955.db2.gz GDCLWZGSVVXJFH-GFCCVEGCSA-N 0 0 190.242 2.016 10 0 AEAERN OCC[C@H](F)c1ccccc1F 257879987 573812957 /nfs/dbraw/zinc/81/29/57/573812957.db2.gz LTADGRMOTKIAPE-VIFPVBQESA-N 0 0 172.174 2.219 10 0 AEAERN CCC(CC)[C@@H](CC)CO 87176233 573812982 /nfs/dbraw/zinc/81/29/82/573812982.db2.gz NQQBKVWSCLNBAG-VIFPVBQESA-N 0 0 144.258 2.441 10 0 AEAERN C[C@H]1C[C@@H]1C(=O)Cc1ccc(O)cc1 87180536 573813040 /nfs/dbraw/zinc/81/30/40/573813040.db2.gz ARSSNVFSTAKQOS-KWQFWETISA-N 0 0 190.242 2.160 10 0 AEAERN FC(F)[C@@H]1Cc2ccccc2N1 79366390 573813047 /nfs/dbraw/zinc/81/30/47/573813047.db2.gz LYICQGFHWUQUNP-QMMMGPOBSA-N 0 0 169.174 2.288 10 0 AEAERN Cc1nc(CC2=C[C@@H](O)CC2)cs1 84277461 573813065 /nfs/dbraw/zinc/81/30/65/573813065.db2.gz OKSHIGWNENYZOJ-JTQLQIEISA-N 0 0 195.287 2.075 10 0 AEAERN C[C@H](O)Cc1ccc2c(c1)OC[C@H]2C 258139388 573813089 /nfs/dbraw/zinc/81/30/89/573813089.db2.gz QHTIGEXMPIXBQR-BDAKNGLRSA-N 0 0 192.258 2.106 10 0 AEAERN Cc1nc(C[C@H]2CC[C@H](O)C2)cs1 84277263 573813093 /nfs/dbraw/zinc/81/30/93/573813093.db2.gz BSCBYVALVFWNMG-SCZZXKLOSA-N 0 0 197.303 2.155 10 0 AEAERN Cc1cc([C@H]2CCC(=O)O2)ccc1O 238521750 573813099 /nfs/dbraw/zinc/81/30/99/573813099.db2.gz FXRCZPBLRBJVGR-SNVBAGLBSA-N 0 0 192.214 2.079 10 0 AEAERN CCC(CC)C1(CO)CC1 87176071 573813103 /nfs/dbraw/zinc/81/31/03/573813103.db2.gz HZLNFOUSGPKPHC-UHFFFAOYSA-N 0 0 142.242 2.195 10 0 AEAERN C=Cc1occ2c1CCCC2=O 238133562 573813140 /nfs/dbraw/zinc/81/31/40/573813140.db2.gz FDPBHYHVCTXXEG-UHFFFAOYSA-N 0 0 162.188 2.442 10 0 AEAERN Oc1ccc(C[C@H]2CCC[C@@H]2O)cc1 87182087 573813178 /nfs/dbraw/zinc/81/31/78/573813178.db2.gz XEWBCTQPIDEVRU-PWSUYJOCSA-N 0 0 192.258 2.096 10 0 AEAERN O=C1CCCc2c1ccnc2Cl 238521880 573813188 /nfs/dbraw/zinc/81/31/88/573813188.db2.gz HMRWBBGJHBNDGF-UHFFFAOYSA-N 0 0 181.622 2.254 10 0 AEAERN CC[C@H](C)C1(CO)CCC1 87176062 573813221 /nfs/dbraw/zinc/81/32/21/573813221.db2.gz CJOFJTHRJNZCMK-QMMMGPOBSA-N 0 0 142.242 2.195 10 0 AEAERN Cc1ccc2c(N)c(O)c(C)cc2n1 238522084 573813472 /nfs/dbraw/zinc/81/34/72/573813472.db2.gz KEJUSLLLIWVIRM-UHFFFAOYSA-N 0 0 188.230 2.139 10 0 AEAERN Cc1cc(=O)c2cccc(N)c2s1 238522841 573813249 /nfs/dbraw/zinc/81/32/49/573813249.db2.gz BQYOJDNJDRLMBP-UHFFFAOYSA-N 0 0 191.255 2.152 10 0 AEAERN O=C1CCC[C@H]1Cc1cccc(O)c1 87178671 573813330 /nfs/dbraw/zinc/81/33/30/573813330.db2.gz DUDBQODLCXOKMM-JTQLQIEISA-N 0 0 190.242 2.304 10 0 AEAERN Cc1nc(C[C@@](C)(O)C(C)C)cs1 84272430 573813339 /nfs/dbraw/zinc/81/33/39/573813339.db2.gz FGEDUTPLFCNTEY-SNVBAGLBSA-N 0 0 199.319 2.401 10 0 AEAERN CC(=O)[C@H](C)Cc1cccc(O)c1 87178658 573813352 /nfs/dbraw/zinc/81/33/52/573813352.db2.gz BJEMPGAZQHXVEH-MRVPVSSYSA-N 0 0 178.231 2.160 10 0 AEAERN O[C@H](CC[C@H]1CCOC1)C1CCCC1 127366995 573813392 /nfs/dbraw/zinc/81/33/92/573813392.db2.gz VQMHYPGNTALSEW-CMPLNLGQSA-N 0 0 198.306 2.354 10 0 AEAERN CC[C@H](C)[C@@](C)(CC)CO 87176181 573813432 /nfs/dbraw/zinc/81/34/32/573813432.db2.gz KCLJOUXKMGDESF-IUCAKERBSA-N 0 0 144.258 2.441 10 0 AEAERN Cc1cccc(CON)c1C1CC1 238521609 573813437 /nfs/dbraw/zinc/81/34/37/573813437.db2.gz QCMBHBJOPZATOD-UHFFFAOYSA-N 0 0 177.247 2.263 10 0 AEAERN CCCc1ncc(CC(C)=O)s1 258434574 573813439 /nfs/dbraw/zinc/81/34/39/573813439.db2.gz FWHRJXXMOBTCOR-UHFFFAOYSA-N 0 0 183.276 2.227 10 0 AEAERN CC(=O)c1ccc2c(c1)NC[C@@H]2C 258139494 573813458 /nfs/dbraw/zinc/81/34/58/573813458.db2.gz QIWIZLMWOVTFPR-ZETCQYMHSA-N 0 0 175.231 2.418 10 0 AEAERN O=C1CCC[C@@H]1Cc1ccc(O)cc1 87178678 573813459 /nfs/dbraw/zinc/81/34/59/573813459.db2.gz LQTOWMXCFYGSOO-SNVBAGLBSA-N 0 0 190.242 2.304 10 0 AEAERN CCCCOC(=O)c1sccc1N 41046595 573813463 /nfs/dbraw/zinc/81/34/63/573813463.db2.gz XFXJKJKACSGJCG-UHFFFAOYSA-N 0 0 199.275 2.287 10 0 AEAERN Cc1nc(C[C@](C)(O)C2CC2)cs1 84272439 573813480 /nfs/dbraw/zinc/81/34/80/573813480.db2.gz QQDMKWHUDLWFEO-JTQLQIEISA-N 0 0 197.303 2.155 10 0 AEAERN Cc1coc(C(=O)COC2CCC2)c1 716201320 573813511 /nfs/dbraw/zinc/81/35/11/573813511.db2.gz NWQFQNOVOJYALJ-UHFFFAOYSA-N 0 0 194.230 2.340 10 0 AEAERN CC(=O)c1cnoc1CC(C)C 259197631 573813748 /nfs/dbraw/zinc/81/37/48/573813748.db2.gz KQOYUAXHXGXXIN-UHFFFAOYSA-N 0 0 167.208 2.076 10 0 AEAERN O=C1CCC[C@@H]1Cc1cccc(O)c1 87178673 573813544 /nfs/dbraw/zinc/81/35/44/573813544.db2.gz DUDBQODLCXOKMM-SNVBAGLBSA-N 0 0 190.242 2.304 10 0 AEAERN Cn1nc2c(N)cccc2c1C1CC1 257881131 573813557 /nfs/dbraw/zinc/81/35/57/573813557.db2.gz LZEMXIVAXVONEP-UHFFFAOYSA-N 0 0 187.246 2.033 10 0 AEAERN CC[C@H](C)OC(=O)c1sccc1N 41046649 573813561 /nfs/dbraw/zinc/81/35/61/573813561.db2.gz WRLVNKQITPDWSM-LURJTMIESA-N 0 0 199.275 2.286 10 0 AEAERN Oc1ccc(CC2=C[C@H](O)CC2)cc1 87184199 573813610 /nfs/dbraw/zinc/81/36/10/573813610.db2.gz AKHKXILVCHFQAI-GFCCVEGCSA-N 0 0 190.242 2.016 10 0 AEAERN CC[C@H](O)CCc1csc(C)n1 84274710 573813612 /nfs/dbraw/zinc/81/36/12/573813612.db2.gz QYIYQLGGFJBGBD-VIFPVBQESA-N 0 0 185.292 2.155 10 0 AEAERN CC(=O)N[C@]1(C)CC=CCCC1 238133924 573813616 /nfs/dbraw/zinc/81/36/16/573813616.db2.gz QJENMSZUUZIHHZ-SNVBAGLBSA-N 0 0 167.252 2.011 10 0 AEAERN CC[C@@H](C)C1(CO)CCC1 87176059 573813645 /nfs/dbraw/zinc/81/36/45/573813645.db2.gz CJOFJTHRJNZCMK-MRVPVSSYSA-N 0 0 142.242 2.195 10 0 AEAERN CC(=O)C[C@H]1O[C@H]1c1ccccc1 238131757 573815580 /nfs/dbraw/zinc/81/55/80/573815580.db2.gz ITFSUVJDPXTSNK-MNOVXSKESA-N 0 0 176.215 2.106 10 0 AEAERN Cc1cc([C@H]2CCCC2=O)ccc1N 238522052 573817438 /nfs/dbraw/zinc/81/74/38/573817438.db2.gz DCGONDIQGGOBJS-SNVBAGLBSA-N 0 0 189.258 2.414 10 0 AEAERN CC[C@@](C)(O)Cc1ccc(O)cc1 87179444 573814507 /nfs/dbraw/zinc/81/45/07/573814507.db2.gz WDKPYVSSJLGMLU-LLVKDONJSA-N 0 0 180.247 2.096 10 0 AEAERN Cc1ccc2c(N)cc(N)cc2c1 238522183 573814530 /nfs/dbraw/zinc/81/45/30/573814530.db2.gz IXIXWQRNULYLTF-UHFFFAOYSA-N 0 0 172.231 2.313 10 0 AEAERN CC(C)=C1C[C@@H]2C(=O)CC[C@@H]12 238124625 573814542 /nfs/dbraw/zinc/81/45/42/573814542.db2.gz FXQJIFHWOAMEMK-CBAPKCEASA-N 0 0 150.221 2.322 10 0 AEAERN CCC(CC)[C@H](CC)CO 87176234 573814543 /nfs/dbraw/zinc/81/45/43/573814543.db2.gz NQQBKVWSCLNBAG-SECBINFHSA-N 0 0 144.258 2.441 10 0 AEAERN CC(C)=C=CCCCCO 238132193 573814548 /nfs/dbraw/zinc/81/45/48/573814548.db2.gz ZXBPWNPKBNWORH-UHFFFAOYSA-N 0 0 140.226 2.270 10 0 AEAERN Cc1nc(C[C@@](C)(O)C2CC2)cs1 84272443 573814590 /nfs/dbraw/zinc/81/45/90/573814590.db2.gz QQDMKWHUDLWFEO-SNVBAGLBSA-N 0 0 197.303 2.155 10 0 AEAERN Cc1ccc2c(c1C)NC(=O)C2(F)F 238522835 573814626 /nfs/dbraw/zinc/81/46/26/573814626.db2.gz SULIBJOVDQPUKU-UHFFFAOYSA-N 0 0 197.184 2.347 10 0 AEAERN CC(=O)c1cnc(-c2ccc(C)o2)o1 257881360 573814628 /nfs/dbraw/zinc/81/46/28/573814628.db2.gz AIIXEKBIJDXUMP-UHFFFAOYSA-N 0 0 191.186 2.446 10 0 AEAERN CC(C)(C)c1c(C2(C)CC2)c1=O 238134434 573814632 /nfs/dbraw/zinc/81/46/32/573814632.db2.gz JKSBKEPMSUBQCH-UHFFFAOYSA-N 0 0 164.248 2.271 10 0 AEAERN CC(C)OCc1nccn1C(C)C 257881125 573814637 /nfs/dbraw/zinc/81/46/37/573814637.db2.gz KBXBBNFHBZUCFE-UHFFFAOYSA-N 0 0 182.267 2.389 10 0 AEAERN N#CNc1ncc(-c2ccccc2)cn1 259197769 573814640 /nfs/dbraw/zinc/81/46/40/573814640.db2.gz HYXBSEAZEAWGDK-UHFFFAOYSA-N 0 0 196.213 2.037 10 0 AEAERN Cc1nc(C[C@H](O)C2CCC2)cs1 84273561 573814644 /nfs/dbraw/zinc/81/46/44/573814644.db2.gz QIUTYTAGCOCFMC-JTQLQIEISA-N 0 0 197.303 2.155 10 0 AEAERN CC[C@@](C)(O)Cc1ccccc1OC 43457611 573814645 /nfs/dbraw/zinc/81/46/45/573814645.db2.gz NDPUTMKMANUKJC-GFCCVEGCSA-N 0 0 194.274 2.399 10 0 AEAERN Cc1cc([C@H]2CCCC2=O)ccn1 238522081 573814657 /nfs/dbraw/zinc/81/46/57/573814657.db2.gz BBKAGXQNLZPALW-SNVBAGLBSA-N 0 0 175.231 2.227 10 0 AEAERN Oc1cccc(CC2(O)CCCC2)c1 87179430 573814671 /nfs/dbraw/zinc/81/46/71/573814671.db2.gz KMSNDZPXRCKFOJ-UHFFFAOYSA-N 0 0 192.258 2.240 10 0 AEAERN Cc1cc(-c2cc(CO)on2)c(C)o1 238530543 573814694 /nfs/dbraw/zinc/81/46/94/573814694.db2.gz KEVQBHVLJVZPCY-UHFFFAOYSA-N 0 0 193.202 2.044 10 0 AEAERN CC(C)(C)c1ncc(F)cc1N 238132658 573814697 /nfs/dbraw/zinc/81/46/97/573814697.db2.gz GEHOHIDULZJEDW-UHFFFAOYSA-N 0 0 168.215 2.100 10 0 AEAERN CC[C@@H](C)[C@@](C)(CC)CO 87176179 573814710 /nfs/dbraw/zinc/81/47/10/573814710.db2.gz KCLJOUXKMGDESF-BDAKNGLRSA-N 0 0 144.258 2.441 10 0 AEAERN CC[C@@H](C)[C@](C)(CC)CO 87176184 573814749 /nfs/dbraw/zinc/81/47/49/573814749.db2.gz KCLJOUXKMGDESF-RKDXNWHRSA-N 0 0 144.258 2.441 10 0 AEAERN C[C@H]1CCc2ccc([C@H](C)O)cc2O1 258140999 573814763 /nfs/dbraw/zinc/81/47/63/573814763.db2.gz SOMIHBFZZIOZEG-IUCAKERBSA-N 0 0 192.258 2.453 10 0 AEAERN COc1ccc(C/C=C\CCO)cc1 258140737 573814775 /nfs/dbraw/zinc/81/47/75/573814775.db2.gz JQYNBSCXEJMLBB-IHWYPQMZSA-N 0 0 192.258 2.176 10 0 AEAERN CC(C)[C@](C)(O)Cc1cccc(O)c1 87179450 573814816 /nfs/dbraw/zinc/81/48/16/573814816.db2.gz JDZMETDVWODTNR-GFCCVEGCSA-N 0 0 194.274 2.342 10 0 AEAERN C[C@H]1C[C@@H]1C(=O)Cc1cccc(O)c1 87180544 573814834 /nfs/dbraw/zinc/81/48/34/573814834.db2.gz IXBIZIVPOYSJHW-KWQFWETISA-N 0 0 190.242 2.160 10 0 AEAERN CC(=O)C[C@]1(C)CCCC(=O)C1 238133540 573814839 /nfs/dbraw/zinc/81/48/39/573814839.db2.gz DRBBRLAEHBSSEJ-JTQLQIEISA-N 0 0 168.236 2.115 10 0 AEAERN O=C(Cc1ccc(O)cc1)C1CCC1 87180423 573814881 /nfs/dbraw/zinc/81/48/81/573814881.db2.gz XFMHWUMRUCNQFD-UHFFFAOYSA-N 0 0 190.242 2.304 10 0 AEAERN COc1cc(C)c(C2(O)CC2)c(C)c1 258145360 573814892 /nfs/dbraw/zinc/81/48/92/573814892.db2.gz SWAGZEXYLFSTJJ-UHFFFAOYSA-N 0 0 192.258 2.293 10 0 AEAERN Oc1ccc(CC2(O)CCCC2)cc1 87179432 573814896 /nfs/dbraw/zinc/81/48/96/573814896.db2.gz ZJTHFYAOJVHDDM-UHFFFAOYSA-N 0 0 192.258 2.240 10 0 AEAERN CC(C)(C)c1ccc(OC=O)c(N)c1 238124135 573814908 /nfs/dbraw/zinc/81/49/08/573814908.db2.gz FTDVOXPMLSJBLI-UHFFFAOYSA-N 0 0 193.246 2.102 10 0 AEAERN C[C@@](O)(Cc1cccc(O)c1)C1CC1 87179458 573814946 /nfs/dbraw/zinc/81/49/46/573814946.db2.gz FSFLYQUYRWXAKP-GFCCVEGCSA-N 0 0 192.258 2.096 10 0 AEAERN CCN(CC)c1ncc(C)s1 100725713 573814978 /nfs/dbraw/zinc/81/49/78/573814978.db2.gz FRVBAPRWPPEVSG-UHFFFAOYSA-N 0 0 170.281 2.298 10 0 AEAERN CC(C)(C)n1[nH]c(=O)c2c1CSC2 257880124 573814982 /nfs/dbraw/zinc/81/49/82/573814982.db2.gz RWLXFKMHTQKXDI-UHFFFAOYSA-N 0 0 198.291 2.091 10 0 AEAERN CCc1cccc(CC)c1CNOC 258140973 573814985 /nfs/dbraw/zinc/81/49/85/573814985.db2.gz SNHXVZOMJQNCIW-UHFFFAOYSA-N 0 0 193.290 2.462 10 0 AEAERN C=Cc1cccc2c1NCCC2=O 238131737 573814989 /nfs/dbraw/zinc/81/49/89/573814989.db2.gz SQEWRENUCRPBEC-UHFFFAOYSA-N 0 0 173.215 2.328 10 0 AEAERN Oc1ccc(Cn2cccc2)cc1 87183507 573815021 /nfs/dbraw/zinc/81/50/21/573815021.db2.gz ZVIGKURPVDYBQL-UHFFFAOYSA-N 0 0 173.215 2.242 10 0 AEAERN O=CC=C(O)[C@H]1CC2CCC1CC2 381539598 573818524 /nfs/dbraw/zinc/81/85/24/573818524.db2.gz RLUHRGIONWNFLE-FOCFQAHNSA-N 0 0 180.247 2.454 10 0 AEAERN CC(=O)[C@@H](C)Cc1csc(C)n1 84271401 573815038 /nfs/dbraw/zinc/81/50/38/573815038.db2.gz QPLSAWYJGVBWDL-LURJTMIESA-N 0 0 183.276 2.219 10 0 AEAERN CC(C)(C)c1scnc1N 238134316 573815040 /nfs/dbraw/zinc/81/50/40/573815040.db2.gz JIQNJLPNLIFJMQ-UHFFFAOYSA-N 0 0 156.254 2.023 10 0 AEAERN Cc1ccc(O)c(C(C)(C)CCO)c1 238522692 573815051 /nfs/dbraw/zinc/81/50/51/573815051.db2.gz RRTVBPMBXREQCV-UHFFFAOYSA-N 0 0 194.274 2.361 10 0 AEAERN CNSc1ccc(F)cc1 259198097 573815067 /nfs/dbraw/zinc/81/50/67/573815067.db2.gz KCWFSLOLFVIPLK-UHFFFAOYSA-N 0 0 157.213 2.052 10 0 AEAERN Cc1nc(CC2=C[C@H](O)CC2)cs1 84277460 573815084 /nfs/dbraw/zinc/81/50/84/573815084.db2.gz OKSHIGWNENYZOJ-SNVBAGLBSA-N 0 0 195.287 2.075 10 0 AEAERN Cc1ncc2c(Cl)ccc(O)c2n1 238521656 573815135 /nfs/dbraw/zinc/81/51/35/573815135.db2.gz PIYFFABLRUAJSO-UHFFFAOYSA-N 0 0 194.621 2.297 10 0 AEAERN Cc1ncc2c(=O)c(C)cc(C)c-2[nH]1 238521811 573815151 /nfs/dbraw/zinc/81/51/51/573815151.db2.gz IYONMIKTQPUFRQ-UHFFFAOYSA-N 0 0 188.230 2.261 10 0 AEAERN C[C@@H]1C[C@H]1C(=O)Cc1ccc(O)cc1 87180538 573815164 /nfs/dbraw/zinc/81/51/64/573815164.db2.gz ARSSNVFSTAKQOS-LDYMZIIASA-N 0 0 190.242 2.160 10 0 AEAERN OC1(C[C@@H]2CCOC2)CCCCC1 257881096 573815165 /nfs/dbraw/zinc/81/51/65/573815165.db2.gz BLPDQUHMXZXNAR-JTQLQIEISA-N 0 0 184.279 2.108 10 0 AEAERN CC(=O)C[C@]1(C)CC1(C)C 238133451 573815214 /nfs/dbraw/zinc/81/52/14/573815214.db2.gz SEPLOQOKVGHNAP-SECBINFHSA-N 0 0 140.226 2.402 10 0 AEAERN Cc1nc(CC(=O)[C@H]2C[C@H]2C)cs1 84273483 573815234 /nfs/dbraw/zinc/81/52/34/573815234.db2.gz LZGYTMICANUVAO-MUWHJKNJSA-N 0 0 195.287 2.219 10 0 AEAERN CC(=O)[C@H](C)Cc1csc(C)n1 84271398 573815253 /nfs/dbraw/zinc/81/52/53/573815253.db2.gz QPLSAWYJGVBWDL-ZCFIWIBFSA-N 0 0 183.276 2.219 10 0 AEAERN Cc1cc(F)c(C(F)F)c(=O)[nH]1 238522933 573815266 /nfs/dbraw/zinc/81/52/66/573815266.db2.gz QLTVIBYPBRSDKV-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN O=C1CC[C@@H](c2ccnc(F)c2)C1 238530549 573815297 /nfs/dbraw/zinc/81/52/97/573815297.db2.gz VKAACRHVMSTFPI-SSDOTTSWSA-N 0 0 179.194 2.057 10 0 AEAERN C[C@@H]1COc2cc(C[C@@H](C)O)ccc21 258139398 573815318 /nfs/dbraw/zinc/81/53/18/573815318.db2.gz QHTIGEXMPIXBQR-RKDXNWHRSA-N 0 0 192.258 2.106 10 0 AEAERN C=Cc1ccccc1[C@H]1CCC(=O)N1 238132837 573815329 /nfs/dbraw/zinc/81/53/29/573815329.db2.gz RYXDSMUVGLTQEY-LLVKDONJSA-N 0 0 187.242 2.281 10 0 AEAERN Cc1ccc(-c2ccc3nccn3n2)o1 258962777 573815331 /nfs/dbraw/zinc/81/53/31/573815331.db2.gz CELCNEFLZSUZHL-UHFFFAOYSA-N 0 0 199.213 2.298 10 0 AEAERN CC[C@](C)(O)Cc1csc(C)n1 84272410 573815357 /nfs/dbraw/zinc/81/53/57/573815357.db2.gz GUWYJXJCWMXSIQ-VIFPVBQESA-N 0 0 185.292 2.155 10 0 AEAERN Cc1nc(CC(=O)[C@@H]2C[C@@H]2C)cs1 84273477 573815373 /nfs/dbraw/zinc/81/53/73/573815373.db2.gz LZGYTMICANUVAO-IMTBSYHQSA-N 0 0 195.287 2.219 10 0 AEAERN Cc1nc(C[C@H]2CC[C@@H](O)C2)cs1 84277267 573815406 /nfs/dbraw/zinc/81/54/06/573815406.db2.gz BSCBYVALVFWNMG-PSASIEDQSA-N 0 0 197.303 2.155 10 0 AEAERN Cc1sc(CO)nc1C1CCC1 257880039 573815425 /nfs/dbraw/zinc/81/54/25/573815425.db2.gz LVJPKZNTVCGYNK-UHFFFAOYSA-N 0 0 183.276 2.211 10 0 AEAERN CC(=O)C[C@@H](F)c1ccc(O)cc1 257881213 573815460 /nfs/dbraw/zinc/81/54/60/573815460.db2.gz LZSLGAAECBUCFY-SNVBAGLBSA-N 0 0 182.194 2.382 10 0 AEAERN Cc1cccc(-c2c[nH]nc2N)c1C 238521871 573815465 /nfs/dbraw/zinc/81/54/65/573815465.db2.gz MXJINHUVUCCBNI-UHFFFAOYSA-N 0 0 187.246 2.276 10 0 AEAERN CC(C)(C)c1ncc(F)cc1C=O 238132500 573815485 /nfs/dbraw/zinc/81/54/85/573815485.db2.gz XSKISDXXYYZBCX-UHFFFAOYSA-N 0 0 181.210 2.331 10 0 AEAERN Cc1cc(=O)c2cc(O)ccc2s1 238522607 573815510 /nfs/dbraw/zinc/81/55/10/573815510.db2.gz XWTUNSOVOIVGAU-UHFFFAOYSA-N 0 0 192.239 2.276 10 0 AEAERN C=Cc1cccc2c1COCC2=O 238131857 573815520 /nfs/dbraw/zinc/81/55/20/573815520.db2.gz CQBYFGXOFYPVGT-UHFFFAOYSA-N 0 0 174.199 2.043 10 0 AEAERN Cc1cccc(-c2ccc(C=O)o2)n1 238522786 573815535 /nfs/dbraw/zinc/81/55/35/573815535.db2.gz RZMMIFHGXQDHTE-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN CC(=O)N[C@@]12CCCC[C@@H]1CCC2 238134685 573815538 /nfs/dbraw/zinc/81/55/38/573815538.db2.gz XUEIEPOEXSLAKC-GHMZBOCLSA-N 0 0 181.279 2.235 10 0 AEAERN C[C@H](O)Cc1ccc2c(c1)OC[C@@H]2C 258139395 573815595 /nfs/dbraw/zinc/81/55/95/573815595.db2.gz QHTIGEXMPIXBQR-IUCAKERBSA-N 0 0 192.258 2.106 10 0 AEAERN Cc1nc(C[C@@H]2CCC(=O)C2)cs1 84276541 573815577 /nfs/dbraw/zinc/81/55/77/573815577.db2.gz PTLIFIYPESMJCN-QMMMGPOBSA-N 0 0 195.287 2.363 10 0 AEAERN CC[C@]1(C)N=N[C@](C)(CC)[C@@H]1O 100664412 573815606 /nfs/dbraw/zinc/81/56/06/573815606.db2.gz HAMHJPQBXIKCTK-AYMMMOKOSA-N 0 0 170.256 2.151 10 0 AEAERN Cc1cccc(CON)c1Cl 238521634 573815653 /nfs/dbraw/zinc/81/56/53/573815653.db2.gz ISGLVUBUPDHKFE-UHFFFAOYSA-N 0 0 171.627 2.039 10 0 AEAERN CC(C)(F)Oc1ccccn1 238135384 573818872 /nfs/dbraw/zinc/81/88/72/573818872.db2.gz SFPJJQBLOQZFKJ-UHFFFAOYSA-N 0 0 155.172 2.166 10 0 AEAERN CON(C)C/C=C/c1ccccc1 308447346 573818787 /nfs/dbraw/zinc/81/87/87/573818787.db2.gz BWXJOCGTVRWLFU-RMKNXTFCSA-N 0 0 177.247 2.193 10 0 AEAERN OC1(C[C@H]2CCOC2)CCCCC1 257881098 573815695 /nfs/dbraw/zinc/81/56/95/573815695.db2.gz BLPDQUHMXZXNAR-SNVBAGLBSA-N 0 0 184.279 2.108 10 0 AEAERN C[Si](C)(C)C=C=CCCCO 238521975 573815711 /nfs/dbraw/zinc/81/57/11/573815711.db2.gz BAGQYPTYKGBGPD-UHFFFAOYSA-N 0 0 170.328 2.348 10 0 AEAERN Cc1nc2ccc(C(C)(C)O)cc2o1 258141003 573815759 /nfs/dbraw/zinc/81/57/59/573815759.db2.gz SONQCTBSJAXIKE-UHFFFAOYSA-N 0 0 191.230 2.364 10 0 AEAERN CC(C)(C)c1ncc(C=O)cc1F 238132017 573815763 /nfs/dbraw/zinc/81/57/63/573815763.db2.gz MJAQHTUDHHVOKW-UHFFFAOYSA-N 0 0 181.210 2.331 10 0 AEAERN Cc1nc(C[C@H](O)[C@@H]2C[C@@H]2C)cs1 84273637 573815777 /nfs/dbraw/zinc/81/57/77/573815777.db2.gz GGBMPKLFAUTDBN-QUNWWBBNSA-N 0 0 197.303 2.011 10 0 AEAERN Nc1ccc(C2=NCCCS2)cc1 100722116 573815864 /nfs/dbraw/zinc/81/58/64/573815864.db2.gz ZDGSDWBWSCRCQJ-UHFFFAOYSA-N 0 0 192.287 2.152 10 0 AEAERN Cc1cc2occcc-2c1CO 238524023 573818795 /nfs/dbraw/zinc/81/87/95/573818795.db2.gz YOABLJWSEZYMFP-UHFFFAOYSA-N 0 0 162.188 2.185 10 0 AEAERN CC(C)(Cl)[C@@H]1CCC(=O)C1 238133313 573815920 /nfs/dbraw/zinc/81/59/20/573815920.db2.gz IVNUULODJCLKPQ-ZCFIWIBFSA-N 0 0 160.644 2.373 10 0 AEAERN COc1c(SC)cccc1[C@@H](C)[NH3+] 258140873 573815939 /nfs/dbraw/zinc/81/59/39/573815939.db2.gz SKNASVWEVSORJZ-SSDOTTSWSA-N 0 0 197.303 2.437 10 0 AEAERN COc1cc(C)cc2cc(C=O)[nH]c12 257880164 573815973 /nfs/dbraw/zinc/81/59/73/573815973.db2.gz VGWIYQZNGKEXSN-UHFFFAOYSA-N 0 0 189.214 2.297 10 0 AEAERN Cc1nc2ccc(=O)cc-2[nH]c1Cl 258140091 573815980 /nfs/dbraw/zinc/81/59/80/573815980.db2.gz QZZUAASKAYJTKU-UHFFFAOYSA-N 0 0 194.621 2.297 10 0 AEAERN Cc1cc(F)c([C@H](C)O)cc1F 87189198 573815983 /nfs/dbraw/zinc/81/59/83/573815983.db2.gz AVFSSQGIDOFVGL-LURJTMIESA-N 0 0 172.174 2.327 10 0 AEAERN Cc1cc(=O)c2cccc(O)c2s1 238522872 573815999 /nfs/dbraw/zinc/81/59/99/573815999.db2.gz QBMXKXRWKMIRAE-UHFFFAOYSA-N 0 0 192.239 2.276 10 0 AEAERN Cc1cnc(CO)c2sccc12 238522075 573816013 /nfs/dbraw/zinc/81/60/13/573816013.db2.gz LBJWWGCOVWUIII-UHFFFAOYSA-N 0 0 179.244 2.097 10 0 AEAERN CC(C)(Cl)[C@H]1CCC(=O)C1 238134299 573816038 /nfs/dbraw/zinc/81/60/38/573816038.db2.gz IVNUULODJCLKPQ-LURJTMIESA-N 0 0 160.644 2.373 10 0 AEAERN Clc1cnc(NC2CCC2)o1 258434872 573816056 /nfs/dbraw/zinc/81/60/56/573816056.db2.gz DSLJZCMFRHHNQA-UHFFFAOYSA-N 0 0 172.615 2.292 10 0 AEAERN CC(=O)c1cc(C)ncc1Cl 238132063 573816124 /nfs/dbraw/zinc/81/61/24/573816124.db2.gz SGYDHYOKFNNOLD-UHFFFAOYSA-N 0 0 169.611 2.246 10 0 AEAERN CC(C)=C1C[C@@H]2C(=O)CC[C@H]12 238124569 573816149 /nfs/dbraw/zinc/81/61/49/573816149.db2.gz FXQJIFHWOAMEMK-APPZFPTMSA-N 0 0 150.221 2.322 10 0 AEAERN Cc1nc(C[C@@H](O)C2CCC2)cs1 84273562 573816151 /nfs/dbraw/zinc/81/61/51/573816151.db2.gz QIUTYTAGCOCFMC-SNVBAGLBSA-N 0 0 197.303 2.155 10 0 AEAERN Cc1cccc(-c2cc[nH]n2)c1O 238522526 573816167 /nfs/dbraw/zinc/81/61/67/573816167.db2.gz BIMATLQXLDCRRW-UHFFFAOYSA-N 0 0 174.203 2.091 10 0 AEAERN F[C@@H]1Cc2ccccc2CO1 238530504 573816171 /nfs/dbraw/zinc/81/61/71/573816171.db2.gz VFONGVSPFJYOMG-VIFPVBQESA-N 0 0 152.168 2.055 10 0 AEAERN CC(C)c1[nH]nc2c(O)cccc12 257881375 573816222 /nfs/dbraw/zinc/81/62/22/573816222.db2.gz MBOWCBDTGYQVRT-UHFFFAOYSA-N 0 0 176.219 2.392 10 0 AEAERN Oc1ccc(CC2=C[C@@H](O)CC2)cc1 87184204 573816225 /nfs/dbraw/zinc/81/62/25/573816225.db2.gz AKHKXILVCHFQAI-LBPRGKRZSA-N 0 0 190.242 2.016 10 0 AEAERN Nc1ccc2cc3n(c2c1)CCC3 257881371 573816244 /nfs/dbraw/zinc/81/62/44/573816244.db2.gz MBOGMWFBWPFLEP-UHFFFAOYSA-N 0 0 172.231 2.170 10 0 AEAERN CC(=O)c1ccc2c(c1)NC[C@H]2C 258139491 573816248 /nfs/dbraw/zinc/81/62/48/573816248.db2.gz QIWIZLMWOVTFPR-SSDOTTSWSA-N 0 0 175.231 2.418 10 0 AEAERN CC(=O)c1cc(C)n2ccccc12 238131901 573816284 /nfs/dbraw/zinc/81/62/84/573816284.db2.gz ULYSDLVJRUVVSN-UHFFFAOYSA-N 0 0 173.215 2.450 10 0 AEAERN Cc1nc(Cl)c(C=O)c(C)c1C 238530568 573816292 /nfs/dbraw/zinc/81/62/92/573816292.db2.gz QTCWGWHBQVIHJW-UHFFFAOYSA-N 0 0 183.638 2.473 10 0 AEAERN CC[C@@]1(CO)Cc2ccc(C)cc2N1 258139315 573816323 /nfs/dbraw/zinc/81/63/23/573816323.db2.gz KRFUCYHEJVAPOG-LBPRGKRZSA-N 0 0 191.274 2.104 10 0 AEAERN CC(C)(C)C(=O)[C@H]1CCCC[C@H]1O 238132311 573816347 /nfs/dbraw/zinc/81/63/47/573816347.db2.gz AQEXCPIAKPSABY-DTWKUNHWSA-N 0 0 184.279 2.153 10 0 AEAERN CC(F)(F)c1ccc2c(c1)CC(=O)N2 258962660 573816439 /nfs/dbraw/zinc/81/64/39/573816439.db2.gz GYVFZBLUMPMKPL-UHFFFAOYSA-N 0 0 197.184 2.293 10 0 AEAERN CC(C)SCCn1cccc1CO 393591584 573816441 /nfs/dbraw/zinc/81/64/41/573816441.db2.gz RZAULQOZPRBLGF-UHFFFAOYSA-N 0 0 199.319 2.122 10 0 AEAERN Cc1cc(=O)c2c(o1)CCCCC2 238521856 573816469 /nfs/dbraw/zinc/81/64/69/573816469.db2.gz DSQYZMAIMMSTEN-UHFFFAOYSA-N 0 0 178.231 2.217 10 0 AEAERN CC(=O)Cc1cc(F)c(C)cc1C=O 258140954 573816470 /nfs/dbraw/zinc/81/64/70/573816470.db2.gz SMPQKMDATNCUOZ-UHFFFAOYSA-N 0 0 194.205 2.078 10 0 AEAERN OCC[C@@H](F)c1ccccc1F 257879986 573816491 /nfs/dbraw/zinc/81/64/91/573816491.db2.gz LTADGRMOTKIAPE-SECBINFHSA-N 0 0 172.174 2.219 10 0 AEAERN CCCCNC(=S)SC 100694218 573816523 /nfs/dbraw/zinc/81/65/23/573816523.db2.gz ICJNBXVTMLQTQR-UHFFFAOYSA-N 0 0 163.311 2.024 10 0 AEAERN CC(=O)C[C@H]1O[C@@H]1c1ccccc1 238131701 573816538 /nfs/dbraw/zinc/81/65/38/573816538.db2.gz ITFSUVJDPXTSNK-GHMZBOCLSA-N 0 0 176.215 2.106 10 0 AEAERN Cc1ncc2scc(C)c2n1 238522606 573816571 /nfs/dbraw/zinc/81/65/71/573816571.db2.gz GVEGMAYQQMRKOL-UHFFFAOYSA-N 0 0 164.233 2.308 10 0 AEAERN CC(C)CC1=CC(C)(C)[NH+]=C([O-])N1 238131835 573816578 /nfs/dbraw/zinc/81/65/78/573816578.db2.gz GLMWURVIXPYBIO-UHFFFAOYSA-N 0 0 182.267 2.008 10 0 AEAERN O=Cc1cnoc1[C@H]1CCCCS1 259197516 573816592 /nfs/dbraw/zinc/81/65/92/573816592.db2.gz KOLIBNUJVKLCKP-MRVPVSSYSA-N 0 0 197.259 2.445 10 0 AEAERN Cc1nc(C2CCC2)sc1NN 259200761 573816620 /nfs/dbraw/zinc/81/66/20/573816620.db2.gz HJPWKSUABBYRAN-UHFFFAOYSA-N 0 0 183.280 2.005 10 0 AEAERN Cc1nc(C[C@H]2CCC(=O)C2)cs1 84276543 573816632 /nfs/dbraw/zinc/81/66/32/573816632.db2.gz PTLIFIYPESMJCN-MRVPVSSYSA-N 0 0 195.287 2.363 10 0 AEAERN CC[C@@H](C)OC(=O)c1ccc(N)cc1 41042997 573816634 /nfs/dbraw/zinc/81/66/34/573816634.db2.gz ROVCSQPVIUUCRI-MRVPVSSYSA-N 0 0 193.246 2.224 10 0 AEAERN CC(=O)Sc1ccc(F)cc1C=O 238133329 573816711 /nfs/dbraw/zinc/81/67/11/573816711.db2.gz XSTULKNBHIJYSR-UHFFFAOYSA-N 0 0 198.218 2.277 10 0 AEAERN Cc1cnc(CO)c2ccsc12 238522028 573816712 /nfs/dbraw/zinc/81/67/12/573816712.db2.gz UPSVIYHYYHLVTB-UHFFFAOYSA-N 0 0 179.244 2.097 10 0 AEAERN CCC[C@@H](C)C(=O)c1ccncn1 233272677 573816766 /nfs/dbraw/zinc/81/67/66/573816766.db2.gz FFIOWPSGUYKLAM-MRVPVSSYSA-N 0 0 178.235 2.096 10 0 AEAERN CC(=O)c1cc(Cl)ccc1NC=O 238134274 573816771 /nfs/dbraw/zinc/81/67/71/573816771.db2.gz JLMYJPPKDBXJKN-UHFFFAOYSA-N 0 0 197.621 2.111 10 0 AEAERN Cc1sc(CCO)nc1C(C)C 259198782 573816780 /nfs/dbraw/zinc/81/67/80/573816780.db2.gz KSVMYLMTRZFANF-UHFFFAOYSA-N 0 0 185.292 2.110 10 0 AEAERN CCc1csc(C[C@H](CC)CO)n1 259197821 573816803 /nfs/dbraw/zinc/81/68/03/573816803.db2.gz HZKZAKDWIXUIIV-QMMMGPOBSA-N 0 0 199.319 2.267 10 0 AEAERN CC[C@@](C)(O)Cc1csc(C)n1 84272412 573816820 /nfs/dbraw/zinc/81/68/20/573816820.db2.gz GUWYJXJCWMXSIQ-SECBINFHSA-N 0 0 185.292 2.155 10 0 AEAERN Cc1nc(C[C@H](O)[C@H]2C[C@@H]2C)cs1 84273639 573816840 /nfs/dbraw/zinc/81/68/40/573816840.db2.gz GGBMPKLFAUTDBN-JUWDTYFHSA-N 0 0 197.303 2.011 10 0 AEAERN O[C@H](CC[C@@H]1CCOC1)C1CCCC1 127366543 573816878 /nfs/dbraw/zinc/81/68/78/573816878.db2.gz VQMHYPGNTALSEW-ZYHUDNBSSA-N 0 0 198.306 2.354 10 0 AEAERN CCn1ncc(N)c1-c1ccccc1 257881124 573816879 /nfs/dbraw/zinc/81/68/79/573816879.db2.gz LYXPEWOCYUTOSF-UHFFFAOYSA-N 0 0 187.246 2.152 10 0 AEAERN COc1c(C)cccc1CC1(O)CC1 258145474 573817373 /nfs/dbraw/zinc/81/73/73/573817373.db2.gz SYEIRHHSDYGBND-UHFFFAOYSA-N 0 0 192.258 2.071 10 0 AEAERN Cc1cc(C)c2c(c1)SCC(=O)N2 100721220 573816886 /nfs/dbraw/zinc/81/68/86/573816886.db2.gz BVAFJUQNLVENFW-UHFFFAOYSA-N 0 0 193.271 2.348 10 0 AEAERN CC(C)CC=C=CCCO 238134534 573816889 /nfs/dbraw/zinc/81/68/89/573816889.db2.gz MHDZMAPMJYDIQI-UHFFFAOYSA-N 0 0 140.226 2.126 10 0 AEAERN CC(=O)Sc1c(C)cccc1N 238132761 573816901 /nfs/dbraw/zinc/81/69/01/573816901.db2.gz NNRPOABYGYYZJW-UHFFFAOYSA-N 0 0 181.260 2.216 10 0 AEAERN C=Cc1ccccc1[C@@H]1CCC(=O)N1 238132384 573816912 /nfs/dbraw/zinc/81/69/12/573816912.db2.gz RYXDSMUVGLTQEY-NSHDSACASA-N 0 0 187.242 2.281 10 0 AEAERN Cc1nc(CC(=O)[C@@H]2C[C@H]2C)cs1 84273481 573816933 /nfs/dbraw/zinc/81/69/33/573816933.db2.gz LZGYTMICANUVAO-HZGVNTEJSA-N 0 0 195.287 2.219 10 0 AEAERN Cc1cn2nc(-c3cc[nH]c3)ccc2n1 258962851 573816948 /nfs/dbraw/zinc/81/69/48/573816948.db2.gz CHEWEIWHLSIGSP-UHFFFAOYSA-N 0 0 198.229 2.033 10 0 AEAERN Cc1cc(O)c2c(=O)cccc-2s1 238522349 573816961 /nfs/dbraw/zinc/81/69/61/573816961.db2.gz YJESUUWWCDBCBR-UHFFFAOYSA-N 0 0 192.239 2.276 10 0 AEAERN CC[C@@H](O)c1cccc(Cl)c1N 257880009 573816967 /nfs/dbraw/zinc/81/69/67/573816967.db2.gz LTSWGSPTDCPBNN-MRVPVSSYSA-N 0 0 185.654 2.366 10 0 AEAERN Cc1nc(C[C@@H]2CC[C@@H](O)C2)cs1 84277265 573816973 /nfs/dbraw/zinc/81/69/73/573816973.db2.gz BSCBYVALVFWNMG-WCBMZHEXSA-N 0 0 197.303 2.155 10 0 AEAERN CC(=O)C[C@H](F)c1ccc(O)cc1 257881211 573816977 /nfs/dbraw/zinc/81/69/77/573816977.db2.gz LZSLGAAECBUCFY-JTQLQIEISA-N 0 0 182.194 2.382 10 0 AEAERN O[C@@H](CC[C@H]1CCOC1)C1CCCC1 127367200 573816978 /nfs/dbraw/zinc/81/69/78/573816978.db2.gz VQMHYPGNTALSEW-JQWIXIFHSA-N 0 0 198.306 2.354 10 0 AEAERN Cc1cc(CCc2c[nH]cn2)oc1C 238523822 573818820 /nfs/dbraw/zinc/81/88/20/573818820.db2.gz BFYMQHQWZDYDKV-UHFFFAOYSA-N 0 0 190.246 2.405 10 0 AEAERN Cc1cnc(CO)c2c(C)csc12 238521974 573817050 /nfs/dbraw/zinc/81/70/50/573817050.db2.gz DTPUUEOYGZRPGA-UHFFFAOYSA-N 0 0 193.271 2.405 10 0 AEAERN Cc1nc(CC2(O)CCCC2)cs1 84272388 573817110 /nfs/dbraw/zinc/81/71/10/573817110.db2.gz GTXDSDLVPXQVBN-UHFFFAOYSA-N 0 0 197.303 2.299 10 0 AEAERN CC(=O)Sc1ccc(C)cc1C=O 238133213 573817177 /nfs/dbraw/zinc/81/71/77/573817177.db2.gz BVJWODUKOMXEGS-UHFFFAOYSA-N 0 0 194.255 2.446 10 0 AEAERN O=C1CCCNc2ccnc(Cl)c21 238521978 573817190 /nfs/dbraw/zinc/81/71/90/573817190.db2.gz JVJVUOAVNCMXSK-UHFFFAOYSA-N 0 0 196.637 2.123 10 0 AEAERN CC(=O)C[C@H](C)C(=O)CC(C)C 238124150 573817226 /nfs/dbraw/zinc/81/72/26/573817226.db2.gz FTMGJKUQBMGUHT-QMMMGPOBSA-N 0 0 170.252 2.217 10 0 AEAERN CC(C)(C)C(=O)c1ccc(N)c(N)c1 238133532 573817251 /nfs/dbraw/zinc/81/72/51/573817251.db2.gz SRVNIAQBXLLXEE-UHFFFAOYSA-N 0 0 192.262 2.080 10 0 AEAERN Cc1nc(C[C@](C)(O)C(C)C)cs1 84272429 573817252 /nfs/dbraw/zinc/81/72/52/573817252.db2.gz FGEDUTPLFCNTEY-JTQLQIEISA-N 0 0 199.319 2.401 10 0 AEAERN OC1(CCc2cccs2)CC1 258146629 573817270 /nfs/dbraw/zinc/81/72/70/573817270.db2.gz VUUAUBJWCHARHP-UHFFFAOYSA-N 0 0 168.261 2.206 10 0 AEAERN CC(C)c1ncc(N)cc1Cl 258435328 573817272 /nfs/dbraw/zinc/81/72/72/573817272.db2.gz DITKEOBQMKITFE-UHFFFAOYSA-N 0 0 170.643 2.441 10 0 AEAERN ONCc1ccccc1SC1CC1 258145524 573817276 /nfs/dbraw/zinc/81/72/76/573817276.db2.gz SZKXJNBCOPPMJR-UHFFFAOYSA-N 0 0 195.287 2.420 10 0 AEAERN Cc1ccc(O)c(C(F)F)n1 238522784 573817290 /nfs/dbraw/zinc/81/72/90/573817290.db2.gz UXAIYUXPGBNWOX-UHFFFAOYSA-N 0 0 159.135 2.033 10 0 AEAERN C[Si](C)(C)CC(CO)=C(F)F 238522814 573817308 /nfs/dbraw/zinc/81/73/08/573817308.db2.gz IAOWRMKEIXTELM-UHFFFAOYSA-N 0 0 180.270 2.468 10 0 AEAERN CSCc1ccc(C=O)s1 257881048 573817316 /nfs/dbraw/zinc/81/73/16/573817316.db2.gz LXLJIVVUQCYKRY-UHFFFAOYSA-N 0 0 172.274 2.424 10 0 AEAERN C[C@H](O)c1cccc2c1[C@@H](C)CN2 258148283 573817479 /nfs/dbraw/zinc/81/74/79/573817479.db2.gz QUQNAZNUCGXXEZ-YUMQZZPRSA-N 0 0 177.247 2.269 10 0 AEAERN Cc1ccc2c(N)n[nH]c2c1Cl 238522379 573817498 /nfs/dbraw/zinc/81/74/98/573817498.db2.gz VMQXFQQPYDAXSI-UHFFFAOYSA-N 0 0 181.626 2.107 10 0 AEAERN Cc1ccc(O)c([C@H]2CCC2=O)c1 238530363 573817519 /nfs/dbraw/zinc/81/75/19/573817519.db2.gz RDHXIRKZUAQHCH-MRVPVSSYSA-N 0 0 176.215 2.147 10 0 AEAERN Cc1noc2ccc([C@H](C)CO)cc12 258145493 573818842 /nfs/dbraw/zinc/81/88/42/573818842.db2.gz SYKKXDCXQWPUPZ-SSDOTTSWSA-N 0 0 191.230 2.232 10 0 AEAERN CCn1cc(C(=O)CC(C)C)cn1 43468135 573818844 /nfs/dbraw/zinc/81/88/44/573818844.db2.gz JNRCSOZIZPWZMR-UHFFFAOYSA-N 0 0 180.251 2.132 10 0 AEAERN Cc1cc(F)c(C(F)F)c(C=O)n1 238522625 573817580 /nfs/dbraw/zinc/81/75/80/573817580.db2.gz VUHCVGPJROTBKR-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN C[C@@H]1C[C@]1(CO)c1ccc(F)cc1F 258963670 573817583 /nfs/dbraw/zinc/81/75/83/573817583.db2.gz HBLIREAJABXGMF-RDDDGLTNSA-N 0 0 198.212 2.235 10 0 AEAERN Cc1ccc(-c2oncc2CO)s1 259200556 573817618 /nfs/dbraw/zinc/81/76/18/573817618.db2.gz KSKCVQADHSKXDG-UHFFFAOYSA-N 0 0 195.243 2.204 10 0 AEAERN CC(=O)c1cc(N)c(C)c(C)c1C 238136004 573817711 /nfs/dbraw/zinc/81/77/11/573817711.db2.gz XMSHBIHQFCKVLB-UHFFFAOYSA-N 0 0 177.247 2.397 10 0 AEAERN CC(C)(F)c1nccc(Cl)n1 238136426 573817720 /nfs/dbraw/zinc/81/77/20/573817720.db2.gz DORXSFOOZQQHCT-UHFFFAOYSA-N 0 0 174.606 2.335 10 0 AEAERN C[C@@H]1C[C@@]1(CO)c1ccc(F)cc1F 258963669 573817743 /nfs/dbraw/zinc/81/77/43/573817743.db2.gz HBLIREAJABXGMF-HQJQHLMTSA-N 0 0 198.212 2.235 10 0 AEAERN C[C@H]1OCC[C@@]1(C)n1cccc1 235656996 573818462 /nfs/dbraw/zinc/81/84/62/573818462.db2.gz UTABQRNKUUOHGV-NXEZZACHSA-N 0 0 165.236 2.012 10 0 AEAERN C=Cc1cccc2c1COCC2 238138279 573817831 /nfs/dbraw/zinc/81/78/31/573817831.db2.gz JQMZYEMLZKAGIX-UHFFFAOYSA-N 0 0 160.216 2.402 10 0 AEAERN CC(C)(F)[C@@H](O)c1ccccc1 238135639 573817936 /nfs/dbraw/zinc/81/79/36/573817936.db2.gz AHWGLHNFRVQAGY-VIFPVBQESA-N 0 0 168.211 2.468 10 0 AEAERN OCC[C@@H]1COc2cccc(Cl)c21 258146233 573817845 /nfs/dbraw/zinc/81/78/45/573817845.db2.gz QTCUGQCCHSYTNK-SSDOTTSWSA-N 0 0 198.649 2.198 10 0 AEAERN CC(C)(C)[C@H](N)C(=O)c1ccsc1 122775519 573817852 /nfs/dbraw/zinc/81/78/52/573817852.db2.gz FBIGIXZGCGGLFV-SECBINFHSA-N 0 0 197.303 2.304 10 0 AEAERN C=Cc1cccc2c1OCCO2 238138588 573817924 /nfs/dbraw/zinc/81/79/24/573817924.db2.gz MIJVOGKXBPBVEH-UHFFFAOYSA-N 0 0 162.188 2.101 10 0 AEAERN CC(=O)c1cc(F)c(C)nc1Cl 238134795 573817929 /nfs/dbraw/zinc/81/79/29/573817929.db2.gz QYJRLNRUYYKEQD-UHFFFAOYSA-N 0 0 187.601 2.385 10 0 AEAERN OCC1(Cc2ccc(O)cc2)CCC1 87184840 573818478 /nfs/dbraw/zinc/81/84/78/573818478.db2.gz ZMKRJFZDIMVFMN-UHFFFAOYSA-N 0 0 192.258 2.097 10 0 AEAERN C[C@@H](O)C[C@@H]1COc2ccc(F)cc21 258148289 573818070 /nfs/dbraw/zinc/81/80/70/573818070.db2.gz QUVILYHYBDTBPS-HTQZYQBOSA-N 0 0 196.221 2.073 10 0 AEAERN CC[C@@H](C)[C@H]([NH2+]C1CCCC1)C(=O)[O-] 41050349 573818073 /nfs/dbraw/zinc/81/80/73/573818073.db2.gz OPSVJZCGMAQBHM-SCZZXKLOSA-N 0 0 199.294 2.018 10 0 AEAERN CC(=O)Cc1c(C)cc(C)c(C)c1O 238135912 573818133 /nfs/dbraw/zinc/81/81/33/573818133.db2.gz NMAZSEAPQCIMAR-UHFFFAOYSA-N 0 0 192.258 2.449 10 0 AEAERN Cc1cccc(-c2ccc(N)nc2)n1 238523241 573818167 /nfs/dbraw/zinc/81/81/67/573818167.db2.gz ROOOJWMPYPPJMX-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CCn1cc([C@H](O)CCC(C)C)cn1 43468714 573818170 /nfs/dbraw/zinc/81/81/70/573818170.db2.gz HOPLXGRHCIDKAY-LLVKDONJSA-N 0 0 196.294 2.373 10 0 AEAERN CC(C)(C)OC(=O)NCC=C=CF 238135435 573818186 /nfs/dbraw/zinc/81/81/86/573818186.db2.gz NDBVPPWECOTHMB-UHFFFAOYSA-N 0 0 187.214 2.149 10 0 AEAERN Cc1cc(F)c(C(F)F)nc1C=O 238523186 573818187 /nfs/dbraw/zinc/81/81/87/573818187.db2.gz QBHPEJPWVNLKAC-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN CC(C)(C)C1=CC[C@H](C(N)=O)CC1 238137891 573818199 /nfs/dbraw/zinc/81/81/99/573818199.db2.gz QJCQFVHKYJFHRZ-QMMMGPOBSA-N 0 0 181.279 2.244 10 0 AEAERN COc1cnn(C2CCC2)c1Cl 258435354 573818203 /nfs/dbraw/zinc/81/82/03/573818203.db2.gz JOKJPXSDATTZSY-UHFFFAOYSA-N 0 0 186.642 2.270 10 0 AEAERN CC(=O)N[C@H](CF)c1ccc(C)cc1 238138632 573818207 /nfs/dbraw/zinc/81/82/07/573818207.db2.gz KMNORPXRZKJWNG-LLVKDONJSA-N 0 0 195.237 2.142 10 0 AEAERN C[C@]12CC[C@@H](O)C=C1CCCC[C@@H]2O 238523038 573818263 /nfs/dbraw/zinc/81/82/63/573818263.db2.gz IUWOGRKLVUGVEE-WOPDTQHZSA-N 0 0 196.290 2.009 10 0 AEAERN C=Cc1cccc2c1CC(=O)CC2 238138105 573818853 /nfs/dbraw/zinc/81/88/53/573818853.db2.gz WYCBQKMVVIGSGV-UHFFFAOYSA-N 0 0 172.227 2.387 10 0 AEAERN Cc1oc(N)nc1[C@@H]1CCCSC1 258147280 573818285 /nfs/dbraw/zinc/81/82/85/573818285.db2.gz RQRSIRQJKHXUCM-SSDOTTSWSA-N 0 0 198.291 2.176 10 0 AEAERN CN[C@H](C)C(F)(F)CC1CCC1 257883355 573818289 /nfs/dbraw/zinc/81/82/89/573818289.db2.gz MKXKQAIXAZUZCX-SSDOTTSWSA-N 0 0 177.238 2.420 10 0 AEAERN C=Cc1ccc2c(c1)CCC(=O)C2 238135693 573818324 /nfs/dbraw/zinc/81/83/24/573818324.db2.gz TWRFJHSOFSXSID-UHFFFAOYSA-N 0 0 172.227 2.387 10 0 AEAERN CC[C@H](C)[C@@H]([NH2+]C1CCCC1)C(=O)[O-] 41050352 573818343 /nfs/dbraw/zinc/81/83/43/573818343.db2.gz OPSVJZCGMAQBHM-WCBMZHEXSA-N 0 0 199.294 2.018 10 0 AEAERN Cc1c(C=O)cnc2ccccc12 257883293 573818345 /nfs/dbraw/zinc/81/83/45/573818345.db2.gz MHVNVPQWEMLRBD-UHFFFAOYSA-N 0 0 171.199 2.356 10 0 AEAERN COc1c([C@H](C)CO)ccc(F)c1C 258148563 573818368 /nfs/dbraw/zinc/81/83/68/573818368.db2.gz ONJZNHLIGJTPBL-SSDOTTSWSA-N 0 0 198.237 2.239 10 0 AEAERN CCc1sc(CO)nc1C1CC1 257883357 573818861 /nfs/dbraw/zinc/81/88/61/573818861.db2.gz MLBSRSVAHVXXKK-UHFFFAOYSA-N 0 0 183.276 2.075 10 0 AEAERN Cc1cc(F)c(C(F)F)nc1N 238523402 573818447 /nfs/dbraw/zinc/81/84/47/573818447.db2.gz DLHBTEZIHUFOOQ-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN C[C@H](O)C[C@@H]1COc2ccc(F)cc21 258148293 573818540 /nfs/dbraw/zinc/81/85/40/573818540.db2.gz QUVILYHYBDTBPS-JGVFFNPUSA-N 0 0 196.221 2.073 10 0 AEAERN CCn1cc([C@@H](O)CCC(C)C)cn1 43468716 573818552 /nfs/dbraw/zinc/81/85/52/573818552.db2.gz HOPLXGRHCIDKAY-NSHDSACASA-N 0 0 196.294 2.373 10 0 AEAERN OCC1(Cc2cccc(O)c2)CCC1 87184842 573818565 /nfs/dbraw/zinc/81/85/65/573818565.db2.gz YBCGXWSONDJAOA-UHFFFAOYSA-N 0 0 192.258 2.097 10 0 AEAERN CC(C)(F)[C@@H]1CCCC(=O)C1 238135685 573818568 /nfs/dbraw/zinc/81/85/68/573818568.db2.gz NBTXGEYROCWKRF-SSDOTTSWSA-N 0 0 158.216 2.494 10 0 AEAERN COC(=O)[C@@]1(C(C)C)CC1(C)C 258963630 573818584 /nfs/dbraw/zinc/81/85/84/573818584.db2.gz HAIYEYNBJHCNBY-JTQLQIEISA-N 0 0 170.252 2.232 10 0 AEAERN O=CC=C(O)[C@@H]1CC2CCC1CC2 381539599 573818585 /nfs/dbraw/zinc/81/85/85/573818585.db2.gz RLUHRGIONWNFLE-VRVWYVMWSA-N 0 0 180.247 2.454 10 0 AEAERN COCN(C)c1ccc(C)cc1C 259201492 573818603 /nfs/dbraw/zinc/81/86/03/573818603.db2.gz WPNPBARSEGFUMY-UHFFFAOYSA-N 0 0 179.263 2.344 10 0 AEAERN Cc1[nH]c2c(Cl)nncc2c1C 84312465 573818676 /nfs/dbraw/zinc/81/86/76/573818676.db2.gz NUHCKAMNWYHDQU-UHFFFAOYSA-N 0 0 181.626 2.228 10 0 AEAERN C=Cc1cccc2c1C(=O)CCN2 238138454 573818709 /nfs/dbraw/zinc/81/87/09/573818709.db2.gz UWOCUMYSKZNLRR-UHFFFAOYSA-N 0 0 173.215 2.328 10 0 AEAERN Cc1ccc(C)c(OCC2COC2)c1 258963501 573818740 /nfs/dbraw/zinc/81/87/40/573818740.db2.gz CABKTJTUBVFOLL-UHFFFAOYSA-N 0 0 192.258 2.329 10 0 AEAERN Cc1cccc(Cl)c1CON 238524280 573820457 /nfs/dbraw/zinc/82/04/57/573820457.db2.gz ULFPEAUCONGUIY-UHFFFAOYSA-N 0 0 171.627 2.039 10 0 AEAERN Cc1ccc2c(c1)C[C@H](C(C)(C)O)O2 258148263 573819637 /nfs/dbraw/zinc/81/96/37/573819637.db2.gz QUORZDMNFVOZBL-LLVKDONJSA-N 0 0 192.258 2.069 10 0 AEAERN CC(C)(C)OC(=O)N1C=COC1(C)C 238139267 573819679 /nfs/dbraw/zinc/81/96/79/573819679.db2.gz KJRZVABFSJPAQB-UHFFFAOYSA-N 0 0 199.250 2.461 10 0 AEAERN CC(C)(F)[C@H]1CCCC(=O)C1 238135920 573819737 /nfs/dbraw/zinc/81/97/37/573819737.db2.gz NBTXGEYROCWKRF-ZETCQYMHSA-N 0 0 158.216 2.494 10 0 AEAERN Cc1ccc2c(c1)C[C@@H](C(C)(C)O)O2 258148267 573819739 /nfs/dbraw/zinc/81/97/39/573819739.db2.gz QUORZDMNFVOZBL-NSHDSACASA-N 0 0 192.258 2.069 10 0 AEAERN CCCCCOC(=O)[C@H](C)OCC 308446973 573819773 /nfs/dbraw/zinc/81/97/73/573819773.db2.gz BRBVVOVDVUWJLF-VIFPVBQESA-N 0 0 188.267 2.145 10 0 AEAERN OC1(Cc2ccc(Cl)o2)CC1 258146547 573819788 /nfs/dbraw/zinc/81/97/88/573819788.db2.gz VTBCPYIECXNWAA-UHFFFAOYSA-N 0 0 172.611 2.000 10 0 AEAERN C[C@@H](O)c1cccc2c1[C@@H](C)CN2 258148277 573819802 /nfs/dbraw/zinc/81/98/02/573819802.db2.gz QUQNAZNUCGXXEZ-JGVFFNPUSA-N 0 0 177.247 2.269 10 0 AEAERN C[C@]12CC[C@@H]1CCCC2=O 238523607 573819820 /nfs/dbraw/zinc/81/98/20/573819820.db2.gz JCXIWEGTAICFRF-CBAPKCEASA-N 0 0 138.210 2.156 10 0 AEAERN C=Cc1ccc2c(c1)CC(=O)CC2 238135742 573819864 /nfs/dbraw/zinc/81/98/64/573819864.db2.gz DQEOFPSDIAFJIY-UHFFFAOYSA-N 0 0 172.227 2.387 10 0 AEAERN CC(C)(C)CC(=O)[C@H]1CCCOC1 225019567 573819876 /nfs/dbraw/zinc/81/98/76/573819876.db2.gz XLTBFKQOKJYUTL-VIFPVBQESA-N 0 0 184.279 2.418 10 0 AEAERN NOCc1cc(Cl)c(F)cc1F 258148023 573819916 /nfs/dbraw/zinc/81/99/16/573819916.db2.gz TXHQKWUVWNQJNL-UHFFFAOYSA-N 0 0 193.580 2.009 10 0 AEAERN C=Cc1ccc2c(c1)NCCC2=O 238135552 573819992 /nfs/dbraw/zinc/81/99/92/573819992.db2.gz APZKSNNOCZUEGJ-UHFFFAOYSA-N 0 0 173.215 2.328 10 0 AEAERN OCC[C@H]1CNc2cccc(Cl)c21 258148410 573819993 /nfs/dbraw/zinc/81/99/93/573819993.db2.gz QWFSHDJXDAVJLM-ZETCQYMHSA-N 0 0 197.665 2.232 10 0 AEAERN Cc1cc2oc(F)ccc-2c1N 238523537 573820055 /nfs/dbraw/zinc/82/00/55/573820055.db2.gz HVLTVTCEFVWHDN-UHFFFAOYSA-N 0 0 165.167 2.414 10 0 AEAERN ONCc1ccc2c(c1F)CCCC2 258145423 573820067 /nfs/dbraw/zinc/82/00/67/573820067.db2.gz SXJKEGCCRAODKA-UHFFFAOYSA-N 0 0 195.237 2.183 10 0 AEAERN C[C@H](O)c1cccc2c1[C@H](C)CN2 258148280 573820072 /nfs/dbraw/zinc/82/00/72/573820072.db2.gz QUQNAZNUCGXXEZ-SFYZADRCSA-N 0 0 177.247 2.269 10 0 AEAERN C[C@H](CO)[C@H]1Cc2cccc(F)c2C1 257885355 573820081 /nfs/dbraw/zinc/82/00/81/573820081.db2.gz WEDQMPXHSAVYMO-SCZZXKLOSA-N 0 0 194.249 2.169 10 0 AEAERN CCC/C=C\[C@H](O)[C@@H]1CCCCC1=O 308447514 573820161 /nfs/dbraw/zinc/82/01/61/573820161.db2.gz OGEWLJXTIVAWLP-GEUQGSAWSA-N 0 0 196.290 2.463 10 0 AEAERN CC(C)(C)C1=CC[C@@H](O)C1 238137791 573820199 /nfs/dbraw/zinc/82/01/99/573820199.db2.gz FQEAHIPUNBPXAC-MRVPVSSYSA-N 0 0 140.226 2.114 10 0 AEAERN C=Cc1cccc2c1CCOC2 238138406 573820207 /nfs/dbraw/zinc/82/02/07/573820207.db2.gz AIJGXPONXIKCIM-UHFFFAOYSA-N 0 0 160.216 2.402 10 0 AEAERN C=Cc1cccc([C@@H]2CCC(=O)N2)c1 238137199 573820264 /nfs/dbraw/zinc/82/02/64/573820264.db2.gz ICYLEVVOHBUYSY-NSHDSACASA-N 0 0 187.242 2.281 10 0 AEAERN C[C@@H](CO)c1cccc2c1CCS2 258147872 573820607 /nfs/dbraw/zinc/82/06/07/573820607.db2.gz TVWGAGLLPMSUEI-QMMMGPOBSA-N 0 0 194.299 2.431 10 0 AEAERN CCCN(C=O)Cc1ccccc1 79381730 573820291 /nfs/dbraw/zinc/82/02/91/573820291.db2.gz XYYYGUSYHPBIBJ-UHFFFAOYSA-N 0 0 177.247 2.055 10 0 AEAERN C=Cc1ccc2c(c1)NCCO2 238136313 573820293 /nfs/dbraw/zinc/82/02/93/573820293.db2.gz GDHOOKYGNJIFFX-UHFFFAOYSA-N 0 0 161.204 2.134 10 0 AEAERN Cc1cccc2cc(N)cc(O)c12 257883282 573820294 /nfs/dbraw/zinc/82/02/94/573820294.db2.gz MHFQMFDZJVEYRE-UHFFFAOYSA-N 0 0 173.215 2.436 10 0 AEAERN CC(=O)c1cccc2noc(C)c12 257883309 573820305 /nfs/dbraw/zinc/82/03/05/573820305.db2.gz MIYQVPCVGISPAT-UHFFFAOYSA-N 0 0 175.187 2.339 10 0 AEAERN CC(C)(C)C1=CC[C@H](O)C1 238137921 573820367 /nfs/dbraw/zinc/82/03/67/573820367.db2.gz FQEAHIPUNBPXAC-QMMMGPOBSA-N 0 0 140.226 2.114 10 0 AEAERN Cc1cc(F)c(C(F)F)cn1 238523012 573820394 /nfs/dbraw/zinc/82/03/94/573820394.db2.gz HCBNHDXTOCVRNQ-UHFFFAOYSA-N 0 0 161.126 2.467 10 0 AEAERN CCC[C@@H](C)CC(=O)c1cn(C)cn1 233274753 573820417 /nfs/dbraw/zinc/82/04/17/573820417.db2.gz GFGCDOWRBGOHLI-SECBINFHSA-N 0 0 194.278 2.429 10 0 AEAERN C[C@H](O)Cc1cc2c(cc1F)CCC2 258147865 573820431 /nfs/dbraw/zinc/82/04/31/573820431.db2.gz TVOWCKCSMZDGIW-QMMMGPOBSA-N 0 0 194.249 2.238 10 0 AEAERN C=Cc1ccc2c(c1)COCC2=O 238135641 573820439 /nfs/dbraw/zinc/82/04/39/573820439.db2.gz AUUDYKYDMRNLEC-UHFFFAOYSA-N 0 0 174.199 2.043 10 0 AEAERN Cc1cc(F)c(C=O)c(C(F)F)n1 238524046 573820511 /nfs/dbraw/zinc/82/05/11/573820511.db2.gz XUXTVSSIUDQTOX-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN C[C@@H](CO)[C@H]1Cc2cccc(F)c2C1 257885359 573820525 /nfs/dbraw/zinc/82/05/25/573820525.db2.gz WEDQMPXHSAVYMO-WPRPVWTQSA-N 0 0 194.249 2.169 10 0 AEAERN CC(C)c1nc(N)oc1-c1ccc[nH]1 259204178 573820528 /nfs/dbraw/zinc/82/05/28/573820528.db2.gz QMPWIOFSWHZCLU-UHFFFAOYSA-N 0 0 191.234 2.375 10 0 AEAERN Cc1c(N)cccc1[C@@H]1CCC(=O)C1 238523920 573820566 /nfs/dbraw/zinc/82/05/66/573820566.db2.gz RPNMPWSTXTYZBB-SECBINFHSA-N 0 0 189.258 2.414 10 0 AEAERN Cc1c(N)cccc1[C@@H]1CCCC1=O 238523978 573821745 /nfs/dbraw/zinc/82/17/45/573821745.db2.gz XKWWOXYQNLEYLR-JTQLQIEISA-N 0 0 189.258 2.414 10 0 AEAERN C[C@H](C1CC1)[C@@H](NN)c1ccccc1 127317727 573822329 /nfs/dbraw/zinc/82/23/29/573822329.db2.gz VRWLKNBDMWIVDJ-BXKDBHETSA-N 0 0 190.290 2.237 10 0 AEAERN Cc1cc(C(N)=O)cc2ccccc12 238523509 573821428 /nfs/dbraw/zinc/82/14/28/573821428.db2.gz CJQABNRHAVJPMT-UHFFFAOYSA-N 0 0 185.226 2.247 10 0 AEAERN CSc1cnn([C@@H](C)C2CC2)c1N 87196156 573822360 /nfs/dbraw/zinc/82/23/60/573822360.db2.gz XTTQNSFZEVAWIW-LURJTMIESA-N 0 0 197.307 2.158 10 0 AEAERN CC(=O)Cc1cc(O)c(C)cc1C 238137055 573821484 /nfs/dbraw/zinc/82/14/84/573821484.db2.gz QLPAWIVJEPUIFR-UHFFFAOYSA-N 0 0 178.231 2.141 10 0 AEAERN CC[C@H](C)[C@H]([NH2+]C1CCCC1)C(=O)[O-] 41050350 573821501 /nfs/dbraw/zinc/82/15/01/573821501.db2.gz OPSVJZCGMAQBHM-WPRPVWTQSA-N 0 0 199.294 2.018 10 0 AEAERN COC(=O)CCc1cc(C)cc(F)c1 238355326 573821548 /nfs/dbraw/zinc/82/15/48/573821548.db2.gz JAUMCLUXUCCGDD-UHFFFAOYSA-N 0 0 196.221 2.240 10 0 AEAERN OCCCc1ccc2c(c1F)CCC2 258147994 573821552 /nfs/dbraw/zinc/82/15/52/573821552.db2.gz TWZIMRNFEHMTAR-UHFFFAOYSA-N 0 0 194.249 2.239 10 0 AEAERN OCC[C@H]1COc2cccc(Cl)c21 258146234 573821591 /nfs/dbraw/zinc/82/15/91/573821591.db2.gz QTCUGQCCHSYTNK-ZETCQYMHSA-N 0 0 198.649 2.198 10 0 AEAERN CC(C)(C)c1cc2[nH]c(=S)[nH]n2n1 238135723 573821596 /nfs/dbraw/zinc/82/15/96/573821596.db2.gz QXFSBASLJAPYOG-UHFFFAOYSA-N 0 0 196.279 2.017 10 0 AEAERN CC(=O)c1cc(N)nc2ccccc12 238136508 573821648 /nfs/dbraw/zinc/82/16/48/573821648.db2.gz CITVVDXLTZZKNV-UHFFFAOYSA-N 0 0 186.214 2.020 10 0 AEAERN CCC/C=C\[C@H](O)[C@H]1CCCCC1=O 308447515 573821651 /nfs/dbraw/zinc/82/16/51/573821651.db2.gz OGEWLJXTIVAWLP-XQXCJCPYSA-N 0 0 196.290 2.463 10 0 AEAERN Cc1ccc(C2CC(O)C2)cc1F 87200305 573821659 /nfs/dbraw/zinc/82/16/59/573821659.db2.gz VBPCJXIPEZVJRP-UHFFFAOYSA-N 0 0 180.222 2.372 10 0 AEAERN Cc1cc(F)c(C)c(N)c1C 238523950 573821685 /nfs/dbraw/zinc/82/16/85/573821685.db2.gz GGQJEPKMKCQRKG-UHFFFAOYSA-N 0 0 153.200 2.333 10 0 AEAERN COCc1cc2c(F)cccc2[nH]1 258145981 573821693 /nfs/dbraw/zinc/82/16/93/573821693.db2.gz WIOHOFMOQMMQBV-UHFFFAOYSA-N 0 0 179.194 2.453 10 0 AEAERN COc1c([C@@H](C)CO)ccc(F)c1C 258148564 573821702 /nfs/dbraw/zinc/82/17/02/573821702.db2.gz ONJZNHLIGJTPBL-ZETCQYMHSA-N 0 0 198.237 2.239 10 0 AEAERN CC(C)=C/C(Cl)=C/CO 238138973 573821707 /nfs/dbraw/zinc/82/17/07/573821707.db2.gz BVDBIWOGOQPQKT-CLTKARDFSA-N 0 0 146.617 2.068 10 0 AEAERN C[C@H](O)C[C@H]1COc2ccc(F)cc21 258148299 573821710 /nfs/dbraw/zinc/82/17/10/573821710.db2.gz QUVILYHYBDTBPS-YUMQZZPRSA-N 0 0 196.221 2.073 10 0 AEAERN Cc1ccc2c(O)cccc2c1N 238523675 573821893 /nfs/dbraw/zinc/82/18/93/573821893.db2.gz CQTMGQBTQXCEQC-UHFFFAOYSA-N 0 0 173.215 2.436 10 0 AEAERN Cc1ccsc1C1CC(O)C1 87200358 573821941 /nfs/dbraw/zinc/82/19/41/573821941.db2.gz OUAQOGGZASSHNA-UHFFFAOYSA-N 0 0 168.261 2.295 10 0 AEAERN C[C@H]1C[C@@]1(CO)c1ccc(F)cc1F 258963668 573821971 /nfs/dbraw/zinc/82/19/71/573821971.db2.gz HBLIREAJABXGMF-CPCISQLKSA-N 0 0 198.212 2.235 10 0 AEAERN Cc1nc2c(ccc3[nH]cnc32)s1 238524362 573822015 /nfs/dbraw/zinc/82/20/15/573822015.db2.gz CMJXLCMQPWXORV-UHFFFAOYSA-N 0 0 189.243 2.481 10 0 AEAERN C[C@H](C1CC1)[C@H](NN)c1ccccc1 127317260 573822077 /nfs/dbraw/zinc/82/20/77/573822077.db2.gz VRWLKNBDMWIVDJ-SKDRFNHKSA-N 0 0 190.290 2.237 10 0 AEAERN Cc1cc(SN)ccc1F 259204648 573822082 /nfs/dbraw/zinc/82/20/82/573822082.db2.gz KVKYYHVEJLTYJB-UHFFFAOYSA-N 0 0 157.213 2.100 10 0 AEAERN Cc1cc(=O)cc(-c2ccco2)o1 238523331 573822124 /nfs/dbraw/zinc/82/21/24/573822124.db2.gz QBBWRSKKJJHKMS-UHFFFAOYSA-N 0 0 176.171 2.208 10 0 AEAERN COc1ccc(C)cc1C1CC(=O)C1 87199297 573822255 /nfs/dbraw/zinc/82/22/55/573822255.db2.gz PSRAUBHVHGGLSQ-UHFFFAOYSA-N 0 0 190.242 2.450 10 0 AEAERN FC(F)Oc1c[nH]c2ncccc12 238524445 573822269 /nfs/dbraw/zinc/82/22/69/573822269.db2.gz UMONXUXRXUJSNN-UHFFFAOYSA-N 0 0 184.145 2.164 10 0 AEAERN Cc1ccc2cc(C=O)c(F)nc2c1 238525399 573824202 /nfs/dbraw/zinc/82/42/02/573824202.db2.gz SRVUSQNSMKTGJJ-UHFFFAOYSA-N 0 0 189.189 2.495 10 0 AEAERN C[C@@H](O)c1c[nH]nc1-c1ccccc1 87199120 573823926 /nfs/dbraw/zinc/82/39/26/573823926.db2.gz OPFGLCHIVAYIPV-MRVPVSSYSA-N 0 0 188.230 2.130 10 0 AEAERN CC(C)C[C@@H](O)c1cc(O)ccc1N 257884633 573823943 /nfs/dbraw/zinc/82/39/43/573823943.db2.gz WAWUMKDDXRXVQC-LLVKDONJSA-N 0 0 195.262 2.054 10 0 AEAERN CC1([C@@H](O)CCC2CCOCC2)CC1 308750026 573823978 /nfs/dbraw/zinc/82/39/78/573823978.db2.gz TYVYHFKWIGNJTG-NSHDSACASA-N 0 0 198.306 2.354 10 0 AEAERN CCCC[C@@H]([NH2+][C@@H](C)CC)C(=O)[O-] 41053457 573824089 /nfs/dbraw/zinc/82/40/89/573824089.db2.gz CVVCMKZDEWOXCI-DTWKUNHWSA-N 0 0 187.283 2.018 10 0 AEAERN C=C=CC(C)(C)C/C=C/CO 238129865 573824114 /nfs/dbraw/zinc/82/41/14/573824114.db2.gz BKJOVCZJBWEHQE-AATRIKPKSA-N 0 0 152.237 2.292 10 0 AEAERN Cc1cc(-c2ccccc2)nc(C=O)n1 259204005 573824146 /nfs/dbraw/zinc/82/41/46/573824146.db2.gz HMJGKALFYPHWEC-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN Cc1cc([Si](C)(C)C)ccc1C=O 238526372 573825234 /nfs/dbraw/zinc/82/52/34/573825234.db2.gz HBPCYEGADHQKSS-UHFFFAOYSA-N 0 0 192.334 2.353 10 0 AEAERN CCc1ncc(-c2ccccc2N)cn1 257884861 573825132 /nfs/dbraw/zinc/82/51/32/573825132.db2.gz SNJLVHSVLCKLOC-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN COCC(=O)CCC(C)(C)C 43504815 573825149 /nfs/dbraw/zinc/82/51/49/573825149.db2.gz LOZMSRKCVHFHEU-UHFFFAOYSA-N 0 0 158.241 2.028 10 0 AEAERN CCSc1cnn(C(C)(C)C)c1N 87196219 573825153 /nfs/dbraw/zinc/82/51/53/573825153.db2.gz SIYSKESKZPOXCA-UHFFFAOYSA-N 0 0 199.323 2.332 10 0 AEAERN Cc1cnc(F)c(C(F)F)c1C=O 238525577 573825154 /nfs/dbraw/zinc/82/51/54/573825154.db2.gz VLCSGTLLRJAAIV-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN O=Cc1nccc(C(F)F)c1Cl 238526376 573826875 /nfs/dbraw/zinc/82/68/75/573826875.db2.gz CGUBTKXNMFLSGG-UHFFFAOYSA-N 0 0 191.564 2.485 10 0 AEAERN CN1CCCCNc2ccccc21 259204560 573826914 /nfs/dbraw/zinc/82/69/14/573826914.db2.gz CFFDKWBASZZMTK-UHFFFAOYSA-N 0 0 176.263 2.329 10 0 AEAERN COC(=O)[C@@]1(c2ccc(C)o2)C[C@@H]1C 258964539 573828279 /nfs/dbraw/zinc/82/82/79/573828279.db2.gz HETAYKDDONLZOZ-CPCISQLKSA-N 0 0 194.230 2.039 10 0 AEAERN CC[C@H](C)C1(O)CCCC1 84327710 573828600 /nfs/dbraw/zinc/82/86/00/573828600.db2.gz CDLOOGDZRGWDJP-QMMMGPOBSA-N 0 0 142.242 2.338 10 0 AEAERN CCN1c2c(O)cccc2NC[C@@H]1C 259204798 573827789 /nfs/dbraw/zinc/82/77/89/573827789.db2.gz KXRPLFXBNKLQFX-QMMMGPOBSA-N 0 0 192.262 2.033 10 0 AEAERN Cc1cc(C)cc(-c2ccnc(N)n2)c1 87202970 573827824 /nfs/dbraw/zinc/82/78/24/573827824.db2.gz RAAVWKXRPGJSEL-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1cccc([C@@H]2CCCC(=O)N2)c1 214952822 573827826 /nfs/dbraw/zinc/82/78/26/573827826.db2.gz IPDPJUYLCYUJSS-NSHDSACASA-N 0 0 189.258 2.336 10 0 AEAERN C[C@@H](O)c1ncc2cc(Cl)ccn12 257884576 573827843 /nfs/dbraw/zinc/82/78/43/573827843.db2.gz VZWVDLBCRAGOHD-ZCFIWIBFSA-N 0 0 196.637 2.041 10 0 AEAERN CC[C@@H](C)C[C@H](O)c1c(C)cnn1C 308447922 573827853 /nfs/dbraw/zinc/82/78/53/573827853.db2.gz BFYMNUJPDCACKQ-SCZZXKLOSA-N 0 0 196.294 2.198 10 0 AEAERN COCC(=O)CCc1ccc(C)cc1 43504920 573827920 /nfs/dbraw/zinc/82/79/20/573827920.db2.gz DHTKPAXWVWVARP-UHFFFAOYSA-N 0 0 192.258 2.143 10 0 AEAERN CC[C@@H](C)CC1(O)CCC(=O)CC1 84323212 573827933 /nfs/dbraw/zinc/82/79/33/573827933.db2.gz YHQLHFCVGLJWAE-SECBINFHSA-N 0 0 184.279 2.297 10 0 AEAERN COCC(=O)CCCC(C)C 43504913 573827951 /nfs/dbraw/zinc/82/79/51/573827951.db2.gz LRVBUWQTOSYULD-UHFFFAOYSA-N 0 0 158.241 2.028 10 0 AEAERN C[C@H](O)c1cc2ccccc2cc1N 220116515 573827957 /nfs/dbraw/zinc/82/79/57/573827957.db2.gz FVWPJPXPZUVYSM-QMMMGPOBSA-N 0 0 187.242 2.475 10 0 AEAERN OCCCNc1coc2ccccc12 258964439 573828024 /nfs/dbraw/zinc/82/80/24/573828024.db2.gz JSVQUJCCJPDNHX-UHFFFAOYSA-N 0 0 191.230 2.227 10 0 AEAERN CC(C)Cc1cc(N)nn1C(C)(C)C 257884509 573828038 /nfs/dbraw/zinc/82/80/38/573828038.db2.gz VYWKLDJYPISXPI-UHFFFAOYSA-N 0 0 195.310 2.419 10 0 AEAERN FC(F)(F)Oc1cc(Cl)ncn1 238531349 573829344 /nfs/dbraw/zinc/82/93/44/573829344.db2.gz TWYPIGXJNVIGDE-UHFFFAOYSA-N 0 0 198.531 2.029 10 0 AEAERN COCC(=O)Cc1c(C)cccc1C 43504812 573828064 /nfs/dbraw/zinc/82/80/64/573828064.db2.gz WBUUDDFKNHLBIM-UHFFFAOYSA-N 0 0 192.258 2.061 10 0 AEAERN CCCNc1nccc(C2CC2)n1 87203477 573828069 /nfs/dbraw/zinc/82/80/69/573828069.db2.gz RHBXVNUVFHZEPT-UHFFFAOYSA-N 0 0 177.251 2.176 10 0 AEAERN CC[C@H](C)C[C@@H](O)c1c(C)cnn1C 308447923 573828094 /nfs/dbraw/zinc/82/80/94/573828094.db2.gz BFYMNUJPDCACKQ-WCBMZHEXSA-N 0 0 196.294 2.198 10 0 AEAERN c1ccc(Cc2nnc(C3CC3)[nH]2)cc1 41057660 573828106 /nfs/dbraw/zinc/82/81/06/573828106.db2.gz LPTLKOYEWCSBJV-UHFFFAOYSA-N 0 0 199.257 2.273 10 0 AEAERN CCCNc1ncc(C)c(C2CC2)n1 87203480 573829345 /nfs/dbraw/zinc/82/93/45/573829345.db2.gz HKGIAOFEHSVYRT-UHFFFAOYSA-N 0 0 191.278 2.484 10 0 AEAERN C[C@H]1CCc2[nH]c(=S)[nH]c2C1 87200593 573828212 /nfs/dbraw/zinc/82/82/12/573828212.db2.gz PLVLSTPMXQKDAS-YFKPBYRVSA-N 0 0 168.265 2.197 10 0 AEAERN CC(C)CCc1nc(C2CC2)n[nH]1 41057573 573828216 /nfs/dbraw/zinc/82/82/16/573828216.db2.gz MFEOTDOKSWLIPU-UHFFFAOYSA-N 0 0 179.267 2.271 10 0 AEAERN Cc1cc(CO)c2c(c1C)CCC2 238527908 573828225 /nfs/dbraw/zinc/82/82/25/573828225.db2.gz VHUQVIYZBKTLGE-UHFFFAOYSA-N 0 0 176.259 2.284 10 0 AEAERN Cc1c[nH]c(SC(C)C)n1 257886439 573829348 /nfs/dbraw/zinc/82/93/48/573829348.db2.gz LKCJHVJFHRVXLD-UHFFFAOYSA-N 0 0 156.254 2.219 10 0 AEAERN O=Cc1c(Cl)ccc2c1OCOC2 238531246 573828246 /nfs/dbraw/zinc/82/82/46/573828246.db2.gz PIFNIOLJGRAZGS-UHFFFAOYSA-N 0 0 198.605 2.019 10 0 AEAERN Cc1cnc(F)c(OC(C)C)c1 238148684 573828252 /nfs/dbraw/zinc/82/82/52/573828252.db2.gz NDHWXTAKWQPGCT-UHFFFAOYSA-N 0 0 169.199 2.316 10 0 AEAERN C[C@H](F)Cc1cccc(CNO)c1 258142898 573829350 /nfs/dbraw/zinc/82/93/50/573829350.db2.gz SPYMTOOARRBOCI-QMMMGPOBSA-N 0 0 183.226 2.066 10 0 AEAERN Cc1ccc2ccc(CO)nc2c1 238527907 573829354 /nfs/dbraw/zinc/82/93/54/573829354.db2.gz WYTSPVKCHWWKBM-UHFFFAOYSA-N 0 0 173.215 2.036 10 0 AEAERN CC(C)CCCO[C@H](C)C(N)=S 43515202 573828322 /nfs/dbraw/zinc/82/83/22/573828322.db2.gz KGJHWTOJJNYNMZ-MRVPVSSYSA-N 0 0 189.324 2.114 10 0 AEAERN CC(C)(C)[C@@H](O)[C@@H]1C=CCC1 238149130 573828323 /nfs/dbraw/zinc/82/83/23/573828323.db2.gz KXEUKGMOLQUPSK-BDAKNGLRSA-N 0 0 154.253 2.360 10 0 AEAERN C[C@]12CC[C@](C)(C1)C(=O)C2 238526766 573828330 /nfs/dbraw/zinc/82/83/30/573828330.db2.gz LGCCKIFVQWKRFY-RKDXNWHRSA-N 0 0 138.210 2.156 10 0 AEAERN CC1(c2cc(N)on2)CCSCC1 258143507 573828377 /nfs/dbraw/zinc/82/83/77/573828377.db2.gz RGNQVHOHZDYEAS-UHFFFAOYSA-N 0 0 198.291 2.042 10 0 AEAERN Nc1ccc(=O)c2c(Cl)[nH]ccc1-2 258141950 573829357 /nfs/dbraw/zinc/82/93/57/573829357.db2.gz RCVMXOQXNCMDTA-UHFFFAOYSA-N 0 0 194.621 2.176 10 0 AEAERN Cc1cc2nnc3ccccc3c2[nH]1 238527596 573828396 /nfs/dbraw/zinc/82/83/96/573828396.db2.gz NTVXUFSFHRNKJO-UHFFFAOYSA-N 0 0 183.214 2.420 10 0 AEAERN CCCSC1=C=C(F)C(F)=C=C1N 642835317 573828411 /nfs/dbraw/zinc/82/84/11/573828411.db2.gz HXZKVMKFZRMLJQ-UHFFFAOYSA-N 0 0 199.225 2.403 10 0 AEAERN COCCCC[C@@H](CO)CC(C)C 131409161 573828439 /nfs/dbraw/zinc/82/84/39/573828439.db2.gz LFTJJDNIUCLRJV-LLVKDONJSA-N 0 0 188.311 2.458 10 0 AEAERN CCCCC(=O)O[C@@H](C)C(=O)CC 308446056 573828451 /nfs/dbraw/zinc/82/84/51/573828451.db2.gz BEXUDIMXFDZWHL-QMMMGPOBSA-N 0 0 186.251 2.087 10 0 AEAERN O=Cc1cnc(C2CCSCC2)o1 258141969 573828461 /nfs/dbraw/zinc/82/84/61/573828461.db2.gz RDHPBULEKJBWRQ-UHFFFAOYSA-N 0 0 197.259 2.098 10 0 AEAERN OC1(c2cccs2)CCC1 84328738 573828462 /nfs/dbraw/zinc/82/84/62/573828462.db2.gz OSYOFYTWSBKOKY-UHFFFAOYSA-N 0 0 154.234 2.120 10 0 AEAERN CC(C)Oc1ccc(CNO)cc1F 258151459 573828510 /nfs/dbraw/zinc/82/85/10/573828510.db2.gz OSPCCOBSSLRZAS-UHFFFAOYSA-N 0 0 199.225 2.092 10 0 AEAERN Cc1cccc(-c2cnncc2N)c1 257885183 573828554 /nfs/dbraw/zinc/82/85/54/573828554.db2.gz FUUZWZVHWJUSRA-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN O=C1CCCC[C@H]1c1ccnc(F)c1 238531510 573828585 /nfs/dbraw/zinc/82/85/85/573828585.db2.gz GASMZQFXHNSFFL-VIFPVBQESA-N 0 0 193.221 2.447 10 0 AEAERN O=Cc1c(C(F)F)ccnc1Cl 238527411 573828602 /nfs/dbraw/zinc/82/86/02/573828602.db2.gz XDQYNWJBJMDMIY-UHFFFAOYSA-N 0 0 191.564 2.485 10 0 AEAERN Cc1noc2cc([C@@H](C)CO)ccc12 258142901 573828642 /nfs/dbraw/zinc/82/86/42/573828642.db2.gz SQDYOVBWDCZKMF-ZETCQYMHSA-N 0 0 191.230 2.232 10 0 AEAERN COCCCC[C@H](CO)C(C)C 131410236 573828669 /nfs/dbraw/zinc/82/86/69/573828669.db2.gz NBQOIVOYFMJJNG-SNVBAGLBSA-N 0 0 174.284 2.068 10 0 AEAERN CCC[C@@H](C)CC(=O)COC 43504917 573828702 /nfs/dbraw/zinc/82/87/02/573828702.db2.gz GWOZUXIAUQWQIF-MRVPVSSYSA-N 0 0 158.241 2.028 10 0 AEAERN C[C@H](CO)c1ccc2c(c1)OCS2 258143016 573828705 /nfs/dbraw/zinc/82/87/05/573828705.db2.gz SRZCPYZMOGJOJV-SSDOTTSWSA-N 0 0 196.271 2.224 10 0 AEAERN Nc1ccc(-c2ccccc2)[nH]1 258143579 573828721 /nfs/dbraw/zinc/82/87/21/573828721.db2.gz OTPBZSOPUQEDJH-UHFFFAOYSA-N 0 0 158.204 2.264 10 0 AEAERN COc1cccc2c(O)cc(N)cc12 257885315 573829373 /nfs/dbraw/zinc/82/93/73/573829373.db2.gz WDJKGCNMKPRVHZ-UHFFFAOYSA-N 0 0 189.214 2.136 10 0 AEAERN COc1c(C)ccc(CC(C)=O)c1C 258143135 573828762 /nfs/dbraw/zinc/82/87/62/573828762.db2.gz SUJCMMAPNYAONC-UHFFFAOYSA-N 0 0 192.258 2.444 10 0 AEAERN CC(=O)Cc1ccc2cc[nH]c2c1F 258142903 573828801 /nfs/dbraw/zinc/82/88/01/573828801.db2.gz SQGCBPUURDNWAM-UHFFFAOYSA-N 0 0 191.205 2.439 10 0 AEAERN Cc1cccc(C2(O)CCC2)c1 84329839 573828839 /nfs/dbraw/zinc/82/88/39/573828839.db2.gz LYRTZHWYSXHLCZ-UHFFFAOYSA-N 0 0 162.232 2.367 10 0 AEAERN CCNc1nccc(-c2ccco2)n1 87203795 573828843 /nfs/dbraw/zinc/82/88/43/573828843.db2.gz RGDUITHBABMWIE-UHFFFAOYSA-N 0 0 189.218 2.168 10 0 AEAERN CC(=O)c1ccc2c(c1)[C@H](C)CN2C 258143956 573828912 /nfs/dbraw/zinc/82/89/12/573828912.db2.gz QPAOEVFVEFDUGH-MRVPVSSYSA-N 0 0 189.258 2.443 10 0 AEAERN Cc1cccc(N)c1[C@H]1CCC(=O)C1 238531623 573828962 /nfs/dbraw/zinc/82/89/62/573828962.db2.gz IZMKBQYOAAAFAH-VIFPVBQESA-N 0 0 189.258 2.414 10 0 AEAERN Cc1cc(C=O)cc(OC(C)C)c1O 238148899 573828985 /nfs/dbraw/zinc/82/89/85/573828985.db2.gz PIIUMKAYZWAIIM-UHFFFAOYSA-N 0 0 194.230 2.300 10 0 AEAERN CCCNc1nccc(C(C)C)n1 87203734 573828997 /nfs/dbraw/zinc/82/89/97/573828997.db2.gz CVRPSIGOJRNKJG-UHFFFAOYSA-N 0 0 179.267 2.422 10 0 AEAERN Cc1cc(F)cc2c1NC(=O)C21CC1 238531362 573829021 /nfs/dbraw/zinc/82/90/21/573829021.db2.gz KDQHPPJHDJTXKG-UHFFFAOYSA-N 0 0 191.205 2.118 10 0 AEAERN CCCC[C@H](NN)C(C1CC1)C1CC1 308445990 573829026 /nfs/dbraw/zinc/82/90/26/573829026.db2.gz ANBHZQRWCLZXCV-NSHDSACASA-N 0 0 196.338 2.445 10 0 AEAERN CO[C@@H]1CCCc2cc(N)ccc21 257886237 573829166 /nfs/dbraw/zinc/82/91/66/573829166.db2.gz MPUZKXWSKAKASO-LLVKDONJSA-N 0 0 177.247 2.293 10 0 AEAERN OC1(C2CCCC2)CCC1 84327542 573829247 /nfs/dbraw/zinc/82/92/47/573829247.db2.gz QEDKNPJKSZXIQM-UHFFFAOYSA-N 0 0 140.226 2.092 10 0 AEAERN Cc1nc(Cl)c(Cl)cc1CO 238531409 573829278 /nfs/dbraw/zinc/82/92/78/573829278.db2.gz JDBMNINQMXYCQF-UHFFFAOYSA-N 0 0 192.045 2.189 10 0 AEAERN CCCC[C@H](CC)C(=O)COC 43504860 573829302 /nfs/dbraw/zinc/82/93/02/573829302.db2.gz UEDHTJWIURJWRB-VIFPVBQESA-N 0 0 172.268 2.418 10 0 AEAERN CCO[C@@H]1CCc2cc(O)ccc2O1 143495829 573833235 /nfs/dbraw/zinc/83/32/35/573833235.db2.gz JYGDGXPJVUMQKZ-NSHDSACASA-N 0 0 194.230 2.080 10 0 AEAERN C[C@@H]1CC(=S)CS1 100828526 573833264 /nfs/dbraw/zinc/83/32/64/573833264.db2.gz JPJBGDKFMKAFRU-SCSAIBSYSA-N 0 0 132.253 2.283 10 0 endogenous,in-man AEAERN CCCOC(=O)COCCC(C)C 308446073 573833270 /nfs/dbraw/zinc/83/32/70/573833270.db2.gz BFZFFSXGQVCTKE-UHFFFAOYSA-N 0 0 188.267 2.002 10 0 AEAERN CC[C@H](Oc1ccccc1)C(N)=S 43541235 573833277 /nfs/dbraw/zinc/83/32/77/573833277.db2.gz NUCLTHVJXDFWIH-VIFPVBQESA-N 0 0 195.287 2.130 10 0 AEAERN C[C@]1(C(=O)CC2CCC2)CCCO1 87226728 573833348 /nfs/dbraw/zinc/83/33/48/573833348.db2.gz HGTNUFXQYVBTPW-LLVKDONJSA-N 0 0 182.263 2.315 10 0 AEAERN Cc1nc2ccc(Cl)cc2[nH]c1=O 238533221 573833355 /nfs/dbraw/zinc/83/33/55/573833355.db2.gz REMXSLAUSIPIRL-UHFFFAOYSA-N 0 0 194.621 2.218 10 0 AEAERN CC(=O)[C@@H]1CSc2ccccc21 87224160 573833370 /nfs/dbraw/zinc/83/33/70/573833370.db2.gz DNMJLTVCPJAQQT-VIFPVBQESA-N 0 0 178.256 2.465 10 0 AEAERN COC(=O)[C@]1(c2ccccc2)C[C@H]1C 258965792 573834451 /nfs/dbraw/zinc/83/44/51/573834451.db2.gz HLEMLDVSEKSFBK-BXKDBHETSA-N 0 0 190.242 2.137 10 0 AEAERN C[C@]1([C@H](O)CC2CCC2)CCCO1 87226968 573832652 /nfs/dbraw/zinc/83/26/52/573832652.db2.gz CZAVYHQFMRWRNL-GHMZBOCLSA-N 0 0 184.279 2.107 10 0 AEAERN CC1=CC(=S)CS1 100828523 573832654 /nfs/dbraw/zinc/83/26/54/573832654.db2.gz AKXPXNGITUAYOF-UHFFFAOYSA-N 0 0 130.237 2.345 10 0 endogenous,in-man AEAERN C/C=C\c1cc(O)cc(O)c1 223559648 573832679 /nfs/dbraw/zinc/83/26/79/573832679.db2.gz VBIRJVGJCKWKMI-IHWYPQMZSA-N 0 0 150.177 2.131 10 0 AEAERN C[C@@]1(C(=O)c2ccccc2)CCCO1 87226665 573832699 /nfs/dbraw/zinc/83/26/99/573832699.db2.gz ZGVIJOOYHIYLPT-LBPRGKRZSA-N 0 0 190.242 2.438 10 0 AEAERN CC(=O)[C@@H]1COc2cccc(Cl)c21 258144212 573832706 /nfs/dbraw/zinc/83/27/06/573832706.db2.gz QQMMKRUHVAJFLT-ZETCQYMHSA-N 0 0 196.633 2.405 10 0 AEAERN C[C@@H](F)c1c(F)cccc1CCO 258142972 573832715 /nfs/dbraw/zinc/83/27/15/573832715.db2.gz SRPDODNKLGNYDJ-SSDOTTSWSA-N 0 0 186.201 2.391 10 0 AEAERN Cc1c[nH]c(=O)c(C(F)F)c1 238533116 573832728 /nfs/dbraw/zinc/83/27/28/573832728.db2.gz RQCPQPJRPUZGSM-UHFFFAOYSA-N 0 0 159.135 2.033 10 0 AEAERN CC(C)C[C@H]1C=CCC1=O 238146813 573832735 /nfs/dbraw/zinc/83/27/35/573832735.db2.gz QFIPFYUCFFFFKT-MRVPVSSYSA-N 0 0 138.210 2.178 10 0 AEAERN C[C@@H]1C[C@]1(CO)C1CCCC1 258964751 573832746 /nfs/dbraw/zinc/83/27/46/573832746.db2.gz HGLPBPSBFASILD-PSASIEDQSA-N 0 0 154.253 2.195 10 0 AEAERN C[C@]1([C@@H](O)C2CCCC2)CCCO1 87227321 573832770 /nfs/dbraw/zinc/83/27/70/573832770.db2.gz LWDDATUSYHQRHT-WDEREUQCSA-N 0 0 184.279 2.107 10 0 AEAERN CC(=O)[C@H]1COc2cccc(Cl)c21 258144210 573832797 /nfs/dbraw/zinc/83/27/97/573832797.db2.gz QQMMKRUHVAJFLT-SSDOTTSWSA-N 0 0 196.633 2.405 10 0 AEAERN Cc1cccc(O)c1C1(O)CCCC1 259573206 573832841 /nfs/dbraw/zinc/83/28/41/573832841.db2.gz YCBBSPOYBIPVKR-UHFFFAOYSA-N 0 0 192.258 2.462 10 0 AEAERN Cc1c[nH]c(=O)c(C(F)F)c1F 238533469 573832853 /nfs/dbraw/zinc/83/28/53/573832853.db2.gz GJKOKYDKCIIDIE-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN OC[C@H](Cc1ccccc1F)C1CC1 258151029 573832875 /nfs/dbraw/zinc/83/28/75/573832875.db2.gz SBRQWSSXJOJSJH-NSHDSACASA-N 0 0 194.249 2.387 10 0 AEAERN C[C@]1([C@@H](O)CC2CCC2)CCCO1 87226970 573832925 /nfs/dbraw/zinc/83/29/25/573832925.db2.gz CZAVYHQFMRWRNL-WDEREUQCSA-N 0 0 184.279 2.107 10 0 AEAERN Nc1ccc(COC2CCC2)cc1F 87225723 573832944 /nfs/dbraw/zinc/83/29/44/573832944.db2.gz DRHNXDUTVFJVTB-UHFFFAOYSA-N 0 0 195.237 2.477 10 0 AEAERN CC(C)Oc1cc(C=O)cnc1Cl 238148942 573832975 /nfs/dbraw/zinc/83/29/75/573832975.db2.gz FPUBADNTCPNQPB-UHFFFAOYSA-N 0 0 199.637 2.335 10 0 AEAERN COC[C@@H](C)CC(=O)c1cc(C)co1 716210205 573833017 /nfs/dbraw/zinc/83/30/17/573833017.db2.gz CYPBPNVZAOGAMO-QMMMGPOBSA-N 0 0 196.246 2.443 10 0 AEAERN Cc1cc(F)cc(C(C)(C)CO)c1O 258151493 573833300 /nfs/dbraw/zinc/83/33/00/573833300.db2.gz OTGUFIPVWFDLKH-UHFFFAOYSA-N 0 0 198.237 2.110 10 0 AEAERN Cc1ccc([C@H](NC=O)C2CC2)cc1 238533160 573833078 /nfs/dbraw/zinc/83/30/78/573833078.db2.gz MIGQWWVEXMGMIG-LBPRGKRZSA-N 0 0 189.258 2.192 10 0 AEAERN OC[C@@H](Cc1ccccc1F)C1CC1 258151028 573833104 /nfs/dbraw/zinc/83/31/04/573833104.db2.gz SBRQWSSXJOJSJH-LLVKDONJSA-N 0 0 194.249 2.387 10 0 AEAERN Fc1ccc(OCc2cocn2)cc1 258144522 573833164 /nfs/dbraw/zinc/83/31/64/573833164.db2.gz LAKHWQYKZYVDPK-UHFFFAOYSA-N 0 0 193.177 2.393 10 0 AEAERN Cc1cc(C)c(C)c(NCO)c1C 258965080 573833166 /nfs/dbraw/zinc/83/31/66/573833166.db2.gz UDRVOKHFHXJLLN-UHFFFAOYSA-N 0 0 179.263 2.282 10 0 AEAERN N#CNc1ncc(C2CCCC2)cn1 259206666 573833172 /nfs/dbraw/zinc/83/31/72/573833172.db2.gz ILTOOVPTKGBWPL-UHFFFAOYSA-N 0 0 188.234 2.027 10 0 AEAERN C[C@@]1(C(=O)CC2CCC2)CCCO1 87226729 573833213 /nfs/dbraw/zinc/83/32/13/573833213.db2.gz HGTNUFXQYVBTPW-NSHDSACASA-N 0 0 182.263 2.315 10 0 AEAERN Cc1cc(N(C)C)c([C@@H](C)O)cc1F 87225187 573833223 /nfs/dbraw/zinc/83/32/23/573833223.db2.gz YOXNPCBMGPPSNG-MRVPVSSYSA-N 0 0 197.253 2.253 10 0 AEAERN CC[C@H](CO)c1nc(C(C)(C)C)c[nH]1 259205998 573833391 /nfs/dbraw/zinc/83/33/91/573833391.db2.gz XXNRFQPOYFWNMJ-MRVPVSSYSA-N 0 0 196.294 2.193 10 0 AEAERN CC(C)Cc1cnc2c(O)cccn12 257885227 573833415 /nfs/dbraw/zinc/83/34/15/573833415.db2.gz WCGJRXSXBSJJCL-UHFFFAOYSA-N 0 0 190.246 2.238 10 0 AEAERN Cc1nc(C)c(C(=O)C2CC2)s1 84336358 573833432 /nfs/dbraw/zinc/83/34/32/573833432.db2.gz RHNHYAXBWLEAIO-UHFFFAOYSA-N 0 0 181.260 2.353 10 0 AEAERN CCOCc1nc(C)cn1C(C)C 257886346 573833439 /nfs/dbraw/zinc/83/34/39/573833439.db2.gz LELICEKDJNWXSM-UHFFFAOYSA-N 0 0 182.267 2.309 10 0 AEAERN CC[C@@H](CO)c1nc(C(C)(C)C)c[nH]1 259206000 573833566 /nfs/dbraw/zinc/83/35/66/573833566.db2.gz XXNRFQPOYFWNMJ-QMMMGPOBSA-N 0 0 196.294 2.193 10 0 AEAERN Fc1ccc(NNC(F)(F)F)cc1 238532566 573833574 /nfs/dbraw/zinc/83/35/74/573833574.db2.gz QQZOPBKWVFHPHN-UHFFFAOYSA-N 0 0 194.131 2.262 10 0 AEAERN Cc1[nH]c2ccc(CON)cc2c1C 258153029 573834410 /nfs/dbraw/zinc/83/44/10/573834410.db2.gz UIOCMXHUTSVRJS-UHFFFAOYSA-N 0 0 190.246 2.175 10 0 AEAERN Cc1cc(F)cc2[nH]c(=S)[nH]c12 238531938 573833585 /nfs/dbraw/zinc/83/35/85/573833585.db2.gz KWTFMUFGCIPMFL-UHFFFAOYSA-N 0 0 182.223 2.299 10 0 AEAERN Cc1ncsc1C(=O)C(C)C 84331622 573833614 /nfs/dbraw/zinc/83/36/14/573833614.db2.gz PRYBKIOHUREWOA-UHFFFAOYSA-N 0 0 169.249 2.290 10 0 AEAERN Cc1ncsc1C(=O)C1CC1 84331227 573833631 /nfs/dbraw/zinc/83/36/31/573833631.db2.gz VTIPZOAQDVXTSV-UHFFFAOYSA-N 0 0 167.233 2.044 10 0 AEAERN C[C@@]1([C@@H](O)c2ccccc2)CCCO1 87227031 573833645 /nfs/dbraw/zinc/83/36/45/573833645.db2.gz IITRGZQDCMFSJF-RYUDHWBXSA-N 0 0 192.258 2.289 10 0 AEAERN C[C@]1([C@H](O)c2ccccc2)CCCO1 87227028 573833656 /nfs/dbraw/zinc/83/36/56/573833656.db2.gz IITRGZQDCMFSJF-VXGBXAGGSA-N 0 0 192.258 2.289 10 0 AEAERN Cc1c(F)[nH]cc(C(F)F)c1=O 238533102 573833669 /nfs/dbraw/zinc/83/36/69/573833669.db2.gz PRJBCNAGHNDPGX-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN OC1(Cc2ccoc2)CCCC1 84330785 573833674 /nfs/dbraw/zinc/83/36/74/573833674.db2.gz CACUHFXORFRYGU-UHFFFAOYSA-N 0 0 166.220 2.127 10 0 AEAERN CC(=O)[C@H]1Cc2ccccc2S1 87224134 573833676 /nfs/dbraw/zinc/83/36/76/573833676.db2.gz AXLNNBSZRWJIRD-SNVBAGLBSA-N 0 0 178.256 2.292 10 0 AEAERN O[C@@H]1CCO[C@H](C2CCCCCC2)C1 84330566 573833679 /nfs/dbraw/zinc/83/36/79/573833679.db2.gz QUPYZUSYECSMKL-NEPJUHHUSA-N 0 0 198.306 2.497 10 0 AEAERN Cc1ccc(C(C)(C)CCO)o1 84331421 573833698 /nfs/dbraw/zinc/83/36/98/573833698.db2.gz AUYYYRUJXOGSAK-UHFFFAOYSA-N 0 0 168.236 2.248 10 0 AEAERN CC(C)C[C@@H]1CC=CC(=S)N1 238155764 573833699 /nfs/dbraw/zinc/83/36/99/573833699.db2.gz OUVJVFRPQULNFT-QMMMGPOBSA-N 0 0 169.293 2.278 10 0 AEAERN CC(C)(C)C(=O)[C@@]1(C)CCCO1 87226614 573833732 /nfs/dbraw/zinc/83/37/32/573833732.db2.gz RMUOZLOTDOMTMO-SNVBAGLBSA-N 0 0 170.252 2.171 10 0 AEAERN CC[C@@H](Oc1ccccc1)C(N)=S 43541236 573833733 /nfs/dbraw/zinc/83/37/33/573833733.db2.gz NUCLTHVJXDFWIH-SECBINFHSA-N 0 0 195.287 2.130 10 0 AEAERN CCCCOC(=O)C1CCC1 79456901 573833745 /nfs/dbraw/zinc/83/37/45/573833745.db2.gz DFPYOQLZOOMYLN-UHFFFAOYSA-N 0 0 156.225 2.130 10 0 AEAERN CC(=O)c1coc2cc(CO)ccc12 238155247 573833759 /nfs/dbraw/zinc/83/37/59/573833759.db2.gz JABPLKWPUWGNDX-UHFFFAOYSA-N 0 0 190.198 2.128 10 0 AEAERN CCCC[C@H](O)[C@]1(C)CCCO1 87227088 573833778 /nfs/dbraw/zinc/83/37/78/573833778.db2.gz RORNLBYRYPHCDP-UWVGGRQHSA-N 0 0 172.268 2.107 10 0 AEAERN Cn1c(Cl)c(C=O)c2ccncc21 238533583 573833798 /nfs/dbraw/zinc/83/37/98/573833798.db2.gz BJLQVGOOJVPBKE-UHFFFAOYSA-N 0 0 194.621 2.039 10 0 AEAERN CC(C)[NH2+][C@@H]1CCCCC[C@H]1C(=O)[O-] 87221422 573833808 /nfs/dbraw/zinc/83/38/08/573833808.db2.gz JOIFWDYBJQDXIW-NXEZZACHSA-N 0 0 199.294 2.018 10 0 AEAERN C[C@]1([C@H](O)C2CCCC2)CCCO1 87227319 573833815 /nfs/dbraw/zinc/83/38/15/573833815.db2.gz LWDDATUSYHQRHT-GHMZBOCLSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@@]1([C@H](O)CC2CCCC2)CCCO1 87226981 573833821 /nfs/dbraw/zinc/83/38/21/573833821.db2.gz KIEDLXUWWBCLFS-NEPJUHHUSA-N 0 0 198.306 2.497 10 0 AEAERN COSc1ccc2c(c1)OCCO2 259207250 573833849 /nfs/dbraw/zinc/83/38/49/573833849.db2.gz LCBVFWLENPGHGZ-UHFFFAOYSA-N 0 0 198.243 2.111 10 0 AEAERN Cc1cc(-c2ccccc2)cc[n+]1[O-] 238533487 573833850 /nfs/dbraw/zinc/83/38/50/573833850.db2.gz CZKRUDILOPUEPY-UHFFFAOYSA-N 0 0 185.226 2.295 10 0 AEAERN C[C@@]1([C@H](O)c2cccs2)CCCO1 87227176 573833851 /nfs/dbraw/zinc/83/38/51/573833851.db2.gz SNGUVSSJHAWUBB-ZJUUUORDSA-N 0 0 198.287 2.351 10 0 AEAERN CCCn1cccc1C(=O)OC(C)C 87222929 573833868 /nfs/dbraw/zinc/83/38/68/573833868.db2.gz DRFPUABSDBTFGW-UHFFFAOYSA-N 0 0 195.262 2.463 10 0 AEAERN C[C@H](O)C(C)(C)c1cccc(F)c1 84336988 573833884 /nfs/dbraw/zinc/83/38/84/573833884.db2.gz LROIRPMSFODJJE-QMMMGPOBSA-N 0 0 182.238 2.484 10 0 AEAERN CC(C)CC[C@]1(O)CCSC1 84332793 573833892 /nfs/dbraw/zinc/83/38/92/573833892.db2.gz VREWQONGMGSARS-VIFPVBQESA-N 0 0 174.309 2.291 10 0 AEAERN CC1CCC(Cn2nccc2N)CC1 84339535 573833898 /nfs/dbraw/zinc/83/38/98/573833898.db2.gz RGNBKGRKERENNZ-UHFFFAOYSA-N 0 0 193.294 2.292 10 0 AEAERN Cc1cc2c(CCO)cccc2[nH]1 258152801 573833900 /nfs/dbraw/zinc/83/39/00/573833900.db2.gz RDQMWBLIUHAUCJ-UHFFFAOYSA-N 0 0 175.231 2.011 10 0 AEAERN C[C@]1([C@@H](O)c2ccsc2)CCCO1 87227524 573833937 /nfs/dbraw/zinc/83/39/37/573833937.db2.gz LDBSJUMSPIREMZ-VHSXEESVSA-N 0 0 198.287 2.351 10 0 AEAERN CC(=O)Cc1cnc(-c2ccco2)o1 258152532 573833967 /nfs/dbraw/zinc/83/39/67/573833967.db2.gz QOLJYQZLNWJFGF-UHFFFAOYSA-N 0 0 191.186 2.066 10 0 AEAERN C[C@@]1([C@H](O)C2CCCC2)CCCO1 87227320 573833994 /nfs/dbraw/zinc/83/39/94/573833994.db2.gz LWDDATUSYHQRHT-MNOVXSKESA-N 0 0 184.279 2.107 10 0 AEAERN CC1CCC(c2cc(CO)on2)CC1 84339463 573834000 /nfs/dbraw/zinc/83/40/00/573834000.db2.gz ZGFOKQJAICMTLJ-UHFFFAOYSA-N 0 0 195.262 2.461 10 0 AEAERN C[C@]1([C@H](O)C2CCCCC2)CCCO1 87227032 573834435 /nfs/dbraw/zinc/83/44/35/573834435.db2.gz OSYFJMFAPGAMKR-VXGBXAGGSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@@]1([C@@H](O)CC2CCCC2)CCCO1 87226983 573834024 /nfs/dbraw/zinc/83/40/24/573834024.db2.gz KIEDLXUWWBCLFS-RYUDHWBXSA-N 0 0 198.306 2.497 10 0 AEAERN Cc1nc(F)ccc1OC(C)C 238154772 573834055 /nfs/dbraw/zinc/83/40/55/573834055.db2.gz PJPUORAFUZXJGB-UHFFFAOYSA-N 0 0 169.199 2.316 10 0 AEAERN CC(C)CC[C@@]1(O)CCSC1 84332795 573834060 /nfs/dbraw/zinc/83/40/60/573834060.db2.gz VREWQONGMGSARS-SECBINFHSA-N 0 0 174.309 2.291 10 0 AEAERN C[C@H](CO)c1coc(CC(C)(C)C)n1 258152380 573834078 /nfs/dbraw/zinc/83/40/78/573834078.db2.gz QNIXPKQHSOJWDP-MRVPVSSYSA-N 0 0 197.278 2.359 10 0 AEAERN C[C@@]1(C(=O)c2cccs2)CCCO1 87226815 573834117 /nfs/dbraw/zinc/83/41/17/573834117.db2.gz HPEUKBYDYXRQBX-JTQLQIEISA-N 0 0 196.271 2.500 10 0 AEAERN F[C@@]12CCO[C@@H]1Nc1ccccc12 238532406 573834131 /nfs/dbraw/zinc/83/41/31/573834131.db2.gz AQMDTIHCCFGRID-VHSXEESVSA-N 0 0 179.194 2.023 10 0 AEAERN C[C@@]1(C(=O)c2ccco2)CCCO1 87226671 573834227 /nfs/dbraw/zinc/83/42/27/573834227.db2.gz IGVRRVCJTNCKEV-JTQLQIEISA-N 0 0 180.203 2.031 10 0 AEAERN C[C@]1([C@@H](O)c2cccs2)CCCO1 87227177 573834414 /nfs/dbraw/zinc/83/44/14/573834414.db2.gz SNGUVSSJHAWUBB-VHSXEESVSA-N 0 0 198.287 2.351 10 0 AEAERN CC[C@@H](OCCC(C)C)C(N)=S 43541439 573834262 /nfs/dbraw/zinc/83/42/62/573834262.db2.gz YXJOZVARTGYMGZ-MRVPVSSYSA-N 0 0 189.324 2.114 10 0 AEAERN C[C@@]1([C@H](O)c2ccccc2)CCCO1 87227029 573834264 /nfs/dbraw/zinc/83/42/64/573834264.db2.gz IITRGZQDCMFSJF-NEPJUHHUSA-N 0 0 192.258 2.289 10 0 AEAERN Cn1c(CO)cc2ccc(Cl)cc21 238532817 573834276 /nfs/dbraw/zinc/83/42/76/573834276.db2.gz YZRIIXRNWJZGGY-UHFFFAOYSA-N 0 0 195.649 2.324 10 0 AEAERN C[C@H](C(=O)OC(C)(C)C)c1ccc[nH]1 308448589 573834279 /nfs/dbraw/zinc/83/42/79/573834279.db2.gz BLWCFNAXAVHNFS-QMMMGPOBSA-N 0 0 195.262 2.460 10 0 AEAERN C[C@]1(C(=O)c2ccoc2)CCCO1 87226866 573834317 /nfs/dbraw/zinc/83/43/17/573834317.db2.gz NHLHPRCOHQRCBF-SNVBAGLBSA-N 0 0 180.203 2.031 10 0 AEAERN F[C@@]12CCO[C@H]1Nc1ccccc12 238532425 573834373 /nfs/dbraw/zinc/83/43/73/573834373.db2.gz AQMDTIHCCFGRID-NXEZZACHSA-N 0 0 179.194 2.023 10 0 AEAERN COCCCC[C@](C)(CO)C(C)C 131419371 573836238 /nfs/dbraw/zinc/83/62/38/573836238.db2.gz OEHCABVFIADXSZ-LLVKDONJSA-N 0 0 188.311 2.458 10 0 AEAERN Cc1cc(-c2ccc[nH]2)nc(C)n1 238532509 573836243 /nfs/dbraw/zinc/83/62/43/573836243.db2.gz ABNVPXFAXPVMOI-UHFFFAOYSA-N 0 0 173.219 2.089 10 0 AEAERN C[C@@]1(C(=O)c2ccoc2)CCCO1 87226867 573836128 /nfs/dbraw/zinc/83/61/28/573836128.db2.gz NHLHPRCOHQRCBF-JTQLQIEISA-N 0 0 180.203 2.031 10 0 AEAERN C=Cc1cc(F)ccc1NC=O 238532227 573836129 /nfs/dbraw/zinc/83/61/29/573836129.db2.gz VYEHCEMQBVSYCN-UHFFFAOYSA-N 0 0 165.167 2.037 10 0 AEAERN COC(=O)[C@@]1(c2ccccc2)C[C@H]1C 258965800 573836244 /nfs/dbraw/zinc/83/62/44/573836244.db2.gz HLEMLDVSEKSFBK-SKDRFNHKSA-N 0 0 190.242 2.137 10 0 AEAERN Cc1c(F)cc(CC2(O)CC2)cc1F 258153023 573836163 /nfs/dbraw/zinc/83/61/63/573836163.db2.gz UILJYFTWTLSPGH-UHFFFAOYSA-N 0 0 198.212 2.341 10 0 AEAERN C[C@]1([C@@H](O)C2CCCCC2)CCCO1 87227034 573836194 /nfs/dbraw/zinc/83/61/94/573836194.db2.gz OSYFJMFAPGAMKR-NWDGAFQWSA-N 0 0 198.306 2.497 10 0 AEAERN Cc1cc([C@H](C)CO)cc2c1OCC2 258152978 573836197 /nfs/dbraw/zinc/83/61/97/573836197.db2.gz UHHUKMKYIJXXKE-SECBINFHSA-N 0 0 192.258 2.026 10 0 AEAERN O=C1N[C@@H](C2CCCCCC2)CO1 84330797 573837316 /nfs/dbraw/zinc/83/73/16/573837316.db2.gz XFFKFFMRHKCTNC-SECBINFHSA-N 0 0 183.251 2.065 10 0 AEAERN C[C@]1(C(=O)c2ccco2)CCCO1 87226670 573836323 /nfs/dbraw/zinc/83/63/23/573836323.db2.gz IGVRRVCJTNCKEV-SNVBAGLBSA-N 0 0 180.203 2.031 10 0 AEAERN Cc1cc(F)cc2oncc12 238532003 573836338 /nfs/dbraw/zinc/83/63/38/573836338.db2.gz MSRMTCVNUMYLHL-UHFFFAOYSA-N 0 0 151.140 2.275 10 0 AEAERN OC1(Cc2ccsc2)CCC1 84331461 573836389 /nfs/dbraw/zinc/83/63/89/573836389.db2.gz DWSWAXGBNYFSHW-UHFFFAOYSA-N 0 0 168.261 2.206 10 0 AEAERN CC(C)(C)C(=O)[C@]1(C)CCCO1 87226615 573836429 /nfs/dbraw/zinc/83/64/29/573836429.db2.gz RMUOZLOTDOMTMO-JTQLQIEISA-N 0 0 170.252 2.171 10 0 AEAERN C[C@]1([C@@H](O)CC2CCCC2)CCCO1 87226982 573836441 /nfs/dbraw/zinc/83/64/41/573836441.db2.gz KIEDLXUWWBCLFS-NWDGAFQWSA-N 0 0 198.306 2.497 10 0 AEAERN COc1ccc(C2(O)CCC2)cc1 84334000 573836446 /nfs/dbraw/zinc/83/64/46/573836446.db2.gz NUOSBMFOMQBMBA-UHFFFAOYSA-N 0 0 178.231 2.067 10 0 AEAERN CC/C=C\C(=O)NC[C@@H](C)C(C)C 308449313 573836454 /nfs/dbraw/zinc/83/64/54/573836454.db2.gz CPQMGXFNEYXCKG-JYESYGNLSA-N 0 0 183.295 2.361 10 0 AEAERN O=C1C=CNc2cc(Cl)ccc2N1 238533486 573836463 /nfs/dbraw/zinc/83/64/63/573836463.db2.gz XDXOVPZKELFVPS-UHFFFAOYSA-N 0 0 194.621 2.218 10 0 AEAERN Cc1cc(Cl)c2c(c1)CNC(=O)O2 238532940 573836505 /nfs/dbraw/zinc/83/65/05/573836505.db2.gz SJHZTTHHTUBVCZ-UHFFFAOYSA-N 0 0 197.621 2.250 10 0 AEAERN CSCc1ccc(N)c(F)c1 87225794 573836507 /nfs/dbraw/zinc/83/65/07/573836507.db2.gz NQEDWFIELVEPLE-UHFFFAOYSA-N 0 0 171.240 2.271 10 0 AEAERN Cc1c[nH]c(=O)c(C(F)F)c1C 238533153 573836598 /nfs/dbraw/zinc/83/65/98/573836598.db2.gz CEUMRQHTEKYWCD-UHFFFAOYSA-N 0 0 173.162 2.342 10 0 AEAERN Cc1ccccc1CC1(O)CCC1 84333197 573836637 /nfs/dbraw/zinc/83/66/37/573836637.db2.gz JMKAKEOGDZKRSD-UHFFFAOYSA-N 0 0 176.259 2.453 10 0 AEAERN C[C@]1(C(=O)c2ccsc2)CCCO1 87226654 573836659 /nfs/dbraw/zinc/83/66/59/573836659.db2.gz VMAWMBQCGARJTJ-SNVBAGLBSA-N 0 0 196.271 2.500 10 0 AEAERN OC1(Cc2cccs2)CCC1 84331462 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2.393 10 0 AEAERN OCCc1ccccc1OC1CCC1 258163029 573850041 /nfs/dbraw/zinc/85/00/41/573850041.db2.gz VDVGYEGZKBLLNJ-UHFFFAOYSA-N 0 0 192.258 2.153 10 0 AEAERN COCNc1ccc2nc(C)oc2c1 258971952 573850067 /nfs/dbraw/zinc/85/00/67/573850067.db2.gz BNLXGHXXIPXMJL-UHFFFAOYSA-N 0 0 192.218 2.152 10 0 AEAERN Cc1cc(C)c(CCO)c(C)c1C 238539241 573850100 /nfs/dbraw/zinc/85/01/00/573850100.db2.gz YFVYSNXFIJCFKD-UHFFFAOYSA-N 0 0 178.275 2.455 10 0 AEAERN OCCC(F)(F)c1cccs1 258970960 573850108 /nfs/dbraw/zinc/85/01/08/573850108.db2.gz IESMAGBQWQFUFQ-UHFFFAOYSA-N 0 0 178.203 2.222 10 0 AEAERN O=Cc1cc(Cl)c(C(F)F)cn1 238539384 573850160 /nfs/dbraw/zinc/85/01/60/573850160.db2.gz RRSCYNKUVOKIMN-UHFFFAOYSA-N 0 0 191.564 2.485 10 0 AEAERN Cc1ccc2c(c1)[C@H](C[C@H](C)O)CO2 258154972 573850192 /nfs/dbraw/zinc/85/01/92/573850192.db2.gz REHLFPUPDDAPLI-VHSXEESVSA-N 0 0 192.258 2.242 10 0 AEAERN Nc1oncc1-c1ccc2[nH]ccc2c1 258162931 573850198 /nfs/dbraw/zinc/85/01/98/573850198.db2.gz PNLUMEUSJTXMPS-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN NOCc1cccc(Cl)c1CF 258155353 573850209 /nfs/dbraw/zinc/85/02/09/573850209.db2.gz ULWCSJLNSHORIP-UHFFFAOYSA-N 0 0 189.617 2.200 10 0 AEAERN CN(C#N)c1cc(Cl)ccc1F 259212978 573850247 /nfs/dbraw/zinc/85/02/47/573850247.db2.gz AFNWWHAUINAXGY-UHFFFAOYSA-N 0 0 184.601 2.396 10 0 AEAERN CC(C)NC(=O)Oc1cccc(F)c1 238151531 573850322 /nfs/dbraw/zinc/85/03/22/573850322.db2.gz WBAYYBDHAVSRIM-UHFFFAOYSA-N 0 0 197.209 2.323 10 0 AEAERN Cc1cc(C)c(N)c(C(F)F)n1 238541584 573850558 /nfs/dbraw/zinc/85/05/58/573850558.db2.gz RJUZJGYVLLCXLZ-UHFFFAOYSA-N 0 0 172.178 2.218 10 0 AEAERN CC(C)(C)[C@@H]1CC=CC(=S)N1 238151017 573850381 /nfs/dbraw/zinc/85/03/81/573850381.db2.gz BRIFHWFXYYMGJK-ZETCQYMHSA-N 0 0 169.293 2.278 10 0 AEAERN C[C@]12CC(=O)[C@H]1c1ccccc1C2 238539742 573850431 /nfs/dbraw/zinc/85/04/31/573850431.db2.gz SMFZVGOMCYBTPP-NEPJUHHUSA-N 0 0 172.227 2.305 10 0 AEAERN Cc1cccc(OC(=O)NC(C)C)c1 238151489 573850433 /nfs/dbraw/zinc/85/04/33/573850433.db2.gz JQJVLAWHCIYWHZ-UHFFFAOYSA-N 0 0 193.246 2.492 10 0 AEAERN CC(C)(C)n1cc(OC2CC2)cn1 238150823 573850442 /nfs/dbraw/zinc/85/04/42/573850442.db2.gz ZYFOIPAZGSAMKT-UHFFFAOYSA-N 0 0 180.251 2.179 10 0 AEAERN O=C1O[C@@H]2C=CCC[C@H]2/C1=C/Cl 238539706 573850443 /nfs/dbraw/zinc/85/04/43/573850443.db2.gz QEHRPXKZKVMNDU-YRQJFVFOSA-N 0 0 184.622 2.001 10 0 AEAERN CCCN(C(=O)/C=C\SC)C1CC1 308453804 573850566 /nfs/dbraw/zinc/85/05/66/573850566.db2.gz FGMJOUWIONBGFG-VURMDHGXSA-N 0 0 199.319 2.264 10 0 AEAERN CC(=O)c1ccn2c1C=CCC2 238151458 573850568 /nfs/dbraw/zinc/85/05/68/573850568.db2.gz YORQEQJNXBHSJE-UHFFFAOYSA-N 0 0 161.204 2.108 10 0 AEAERN CCC[C@](C)(O)c1cnccc1OC 308455593 573850481 /nfs/dbraw/zinc/85/04/81/573850481.db2.gz CYBRGAVKQPTUKH-NSHDSACASA-N 0 0 195.262 2.098 10 0 AEAERN Cc1ccc2c(c1)[C@H](C[C@@H](C)O)CO2 258154966 573850486 /nfs/dbraw/zinc/85/04/86/573850486.db2.gz REHLFPUPDDAPLI-NXEZZACHSA-N 0 0 192.258 2.242 10 0 AEAERN C[C@H](O)C(F)(F)c1ccc(F)cc1 257887558 573852521 /nfs/dbraw/zinc/85/25/21/573852521.db2.gz WOOYVRYRXBVNRD-LURJTMIESA-N 0 0 190.164 2.298 10 0 AEAERN C[C@@H](O)[C@@H]1CSc2ccc(F)cc21 258161928 573851396 /nfs/dbraw/zinc/85/13/96/573851396.db2.gz ROTGBPOFMIUCOE-MUWHJKNJSA-N 0 0 198.262 2.396 10 0 AEAERN CC(C)(C)Cc1cnc(N)nc1Cl 258154540 573851402 /nfs/dbraw/zinc/85/14/02/573851402.db2.gz BBFYOLXINQQFTO-UHFFFAOYSA-N 0 0 199.685 2.301 10 0 AEAERN CC(C)(C)[C@@H]1CCCC[C@@H]1C(N)=O 238152710 573851418 /nfs/dbraw/zinc/85/14/18/573851418.db2.gz MVCUTNYTADEHQI-DTWKUNHWSA-N 0 0 183.295 2.324 10 0 AEAERN Cc1cc(-c2cccc(O)c2)ncn1 257889300 573851432 /nfs/dbraw/zinc/85/14/32/573851432.db2.gz NCALTJDQQKYUQN-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1ccc(N[C@@H]2CC[C@@H]2O)cc1F 585298953 573851435 /nfs/dbraw/zinc/85/14/35/573851435.db2.gz VYKLHDTUWAEXAB-MNOVXSKESA-N 0 0 195.237 2.069 10 0 AEAERN Cc1cc(C)cc(N[C@H]2CC[C@@H]2O)c1 585298890 573851444 /nfs/dbraw/zinc/85/14/44/573851444.db2.gz QBSKZMSGKOVLCQ-RYUDHWBXSA-N 0 0 191.274 2.239 10 0 AEAERN C[C@@]1(Cn2cc[nH]c2=S)CCCO1 87256993 573851468 /nfs/dbraw/zinc/85/14/68/573851468.db2.gz OVAUNQBRFIQAQZ-VIFPVBQESA-N 0 0 198.291 2.115 10 0 AEAERN Cc1c(C=O)cnc(C(F)F)c1C 238540014 573852541 /nfs/dbraw/zinc/85/25/41/573852541.db2.gz YFNFVJNQMZOSTP-UHFFFAOYSA-N 0 0 185.173 2.449 10 0 AEAERN CN(c1ccccn1)[C@@H]1CCC[C@@H]1F 585298950 573851490 /nfs/dbraw/zinc/85/14/90/573851490.db2.gz VYHIWSVEIAPIJC-VHSXEESVSA-N 0 0 194.253 2.408 10 0 AEAERN Cc1c(C(F)F)cnc(CO)c1C 238539835 573851564 /nfs/dbraw/zinc/85/15/64/573851564.db2.gz CESUJSJZDAKJOS-UHFFFAOYSA-N 0 0 187.189 2.128 10 0 AEAERN Cc1cc(-c2cc[nH]c2)nc(C)n1 238530859 573851689 /nfs/dbraw/zinc/85/16/89/573851689.db2.gz PRVBRBRIOLCBRD-UHFFFAOYSA-N 0 0 173.219 2.089 10 0 AEAERN C[C@@H](F)COc1cccc2c1NCC2 258153944 573851703 /nfs/dbraw/zinc/85/17/03/573851703.db2.gz WILQZWFJVKZMSG-MRVPVSSYSA-N 0 0 195.237 2.391 10 0 AEAERN C[C@@H]1CNc2ccc(F)c(F)c2N1 87260505 573851716 /nfs/dbraw/zinc/85/17/16/573851716.db2.gz UWGZGAAALIOCBZ-RXMQYKEDSA-N 0 0 184.189 2.191 10 0 AEAERN Cc1ccc2c(c1)[C@@H](C[C@H](C)O)CO2 258154969 573851744 /nfs/dbraw/zinc/85/17/44/573851744.db2.gz REHLFPUPDDAPLI-UWVGGRQHSA-N 0 0 192.258 2.242 10 0 AEAERN CC(=O)c1cccnc1C1CC1 238150996 573851748 /nfs/dbraw/zinc/85/17/48/573851748.db2.gz ZXTVVECTXNHRNG-UHFFFAOYSA-N 0 0 161.204 2.162 10 0 AEAERN CC(=O)c1ccncc1C(F)F 238151930 573851757 /nfs/dbraw/zinc/85/17/57/573851757.db2.gz MYIMCTLXFHVBSF-UHFFFAOYSA-N 0 0 171.146 2.222 10 0 AEAERN c1ccc(NC2N=NN=N2)cc1 238539770 573851799 /nfs/dbraw/zinc/85/17/99/573851799.db2.gz LWWVMQVLRGTCAV-UHFFFAOYSA-N 0 0 161.168 2.215 10 0 AEAERN CC(C)(C)[C@@H]1CCC=C[C@@H]1O 238152333 573851831 /nfs/dbraw/zinc/85/18/31/573851831.db2.gz XMRZEJXQJFBEBY-BDAKNGLRSA-N 0 0 154.253 2.360 10 0 AEAERN CCC[C@@](C)(O)c1cnccc1OC 308455592 573851835 /nfs/dbraw/zinc/85/18/35/573851835.db2.gz CYBRGAVKQPTUKH-LLVKDONJSA-N 0 0 195.262 2.098 10 0 AEAERN O=C1C[C@@H]2CC[C@H](/C=C/Cl)[C@@H]2O1 238539063 573851888 /nfs/dbraw/zinc/85/18/88/573851888.db2.gz 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/nfs/dbraw/zinc/85/19/91/573851991.db2.gz VYHIWSVEIAPIJC-UWVGGRQHSA-N 0 0 194.253 2.408 10 0 AEAERN Cc1c(N)cccc1N(C)CCCF 716816362 573852015 /nfs/dbraw/zinc/85/20/15/573852015.db2.gz DNOPGEPZJIBXFW-UHFFFAOYSA-N 0 0 196.269 2.373 10 0 AEAERN C[C@]1(Cn2cc[nH]c2=S)CCCO1 87256990 573852021 /nfs/dbraw/zinc/85/20/21/573852021.db2.gz OVAUNQBRFIQAQZ-SECBINFHSA-N 0 0 198.291 2.115 10 0 AEAERN Cc1nc(F)ccc1OC1CCC1 238539453 573852116 /nfs/dbraw/zinc/85/21/16/573852116.db2.gz PSWOYZQNBPIRHQ-UHFFFAOYSA-N 0 0 181.210 2.460 10 0 AEAERN O[C@@]1(Cc2ccccc2)CCSC1 84356474 573852163 /nfs/dbraw/zinc/85/21/63/573852163.db2.gz BCNWQCBCXBOLAL-LLVKDONJSA-N 0 0 194.299 2.097 10 0 AEAERN Cc1ccc(N[C@H]2CC[C@H]2O)cc1C 585298734 573852210 /nfs/dbraw/zinc/85/22/10/573852210.db2.gz AUBUCXPCPBHVIF-NWDGAFQWSA-N 0 0 191.274 2.239 10 0 AEAERN Cc1ccsc1NCC(C)(C)CO 258969585 573852228 /nfs/dbraw/zinc/85/22/28/573852228.db2.gz YQIVOORMBBAJQO-UHFFFAOYSA-N 0 0 199.319 2.487 10 0 AEAERN Cc1ccc(N[C@H]2CC[C@H]2O)cc1F 585298955 573852558 /nfs/dbraw/zinc/85/25/58/573852558.db2.gz VYKLHDTUWAEXAB-WDEREUQCSA-N 0 0 195.237 2.069 10 0 AEAERN CC1(C)CCN(c2ccc(C=O)o2)C1 87256031 573852255 /nfs/dbraw/zinc/85/22/55/573852255.db2.gz HYCRKNYBKSHIIW-UHFFFAOYSA-N 0 0 193.246 2.328 10 0 AEAERN Cc1c[nH]c(CSC(C)C)n1 257888922 573852270 /nfs/dbraw/zinc/85/22/70/573852270.db2.gz LVLJNHYYIPDUSB-UHFFFAOYSA-N 0 0 170.281 2.360 10 0 AEAERN Fc1ccc2c(c1)N[C@@H]1C[C@H]21 257888784 573852283 /nfs/dbraw/zinc/85/22/83/573852283.db2.gz INVJMXAGRGXLHZ-VXNVDRBHSA-N 0 0 149.168 2.107 10 0 AEAERN Cc1cc(F)ncc1[C@@H]1CCCC1=O 238539936 573852309 /nfs/dbraw/zinc/85/23/09/573852309.db2.gz NTMIFUZINGIFHY-QMMMGPOBSA-N 0 0 193.221 2.366 10 0 AEAERN CCC[C@@H](C)[NH2+][C@@H](CC1CC1)C(=O)[O-] 308455474 573852326 /nfs/dbraw/zinc/85/23/26/573852326.db2.gz DNVYUBGDNYPVJS-SCZZXKLOSA-N 0 0 199.294 2.018 10 0 AEAERN CC[C@H]1NC(=O)O[C@@H]1C1CCCCC1 101241546 573852329 /nfs/dbraw/zinc/85/23/29/573852329.db2.gz FOORSLDAWSBBFM-NXEZZACHSA-N 0 0 197.278 2.454 10 0 AEAERN CN1C(=O)[C@H]2CCCc3cccc1c32 101237608 573852367 /nfs/dbraw/zinc/85/23/67/573852367.db2.gz LLWVQXHVPIIHDZ-VIFPVBQESA-N 0 0 187.242 2.083 10 0 AEAERN Cc1ccc(N[C@H]2CC[C@@H]2O)c(C)c1 585298938 573852458 /nfs/dbraw/zinc/85/24/58/573852458.db2.gz TYWJYVDOSSBSCM-RYUDHWBXSA-N 0 0 191.274 2.239 10 0 AEAERN COc1ccc(SC(N)=O)c(C)c1 259212757 573852468 /nfs/dbraw/zinc/85/24/68/573852468.db2.gz LMZNRXLUEXLGDU-UHFFFAOYSA-N 0 0 197.259 2.174 10 0 AEAERN Cc1cc(F)ncc1[C@@H]1CCC(=O)C1 238539879 573852572 /nfs/dbraw/zinc/85/25/72/573852572.db2.gz SSTVRNDGFYGBSR-MRVPVSSYSA-N 0 0 193.221 2.366 10 0 AEAERN Cc1cc(F)[nH]c(=O)c1C(F)F 238539127 573852619 /nfs/dbraw/zinc/85/26/19/573852619.db2.gz GYLWAOGAFINAAR-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN C[C@@H](O)c1coc2cc(O)ccc12 257889887 573854479 /nfs/dbraw/zinc/85/44/79/573854479.db2.gz KYAOQVDSGCKCTD-ZCFIWIBFSA-N 0 0 178.187 2.192 10 0 AEAERN COc1cccc([C@@H](C)O)c1SC 258163110 573854490 /nfs/dbraw/zinc/85/44/90/573854490.db2.gz PROCUWMVLSLVFY-SSDOTTSWSA-N 0 0 198.287 2.470 10 0 AEAERN Cc1ccc(F)cc1N[C@H]1CC[C@@H]1O 585298997 573854338 /nfs/dbraw/zinc/85/43/38/573854338.db2.gz YLQRYPIQQOMWKF-ONGXEEELSA-N 0 0 195.237 2.069 10 0 AEAERN O[C@]1(Cc2ccccc2)CCSC1 84356477 573853473 /nfs/dbraw/zinc/85/34/73/573853473.db2.gz BCNWQCBCXBOLAL-NSHDSACASA-N 0 0 194.299 2.097 10 0 AEAERN Cc1cnc(N)c(F)c1C(F)F 238530747 573853494 /nfs/dbraw/zinc/85/34/94/573853494.db2.gz AIZDAYPZARRAGW-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN CC(C)/C(=C\[C@H]1CCSC1)CO 224724313 573853495 /nfs/dbraw/zinc/85/34/95/573853495.db2.gz CDVLJQYDKIIBMH-JRZFIGEHSA-N 0 0 186.320 2.314 10 0 AEAERN Cc1ncncc1-c1cccc(O)c1 257889305 573853523 /nfs/dbraw/zinc/85/35/23/573853523.db2.gz NCEYYENBZBLYEC-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN CC(C)/C(=C\[C@@H]1CCSC1)CO 224724263 573853548 /nfs/dbraw/zinc/85/35/48/573853548.db2.gz CDVLJQYDKIIBMH-QFQXNISHSA-N 0 0 186.320 2.314 10 0 AEAERN Cc1ccc(F)cc1N[C@H]1CC[C@H]1O 585298994 573853556 /nfs/dbraw/zinc/85/35/56/573853556.db2.gz YLQRYPIQQOMWKF-GXSJLCMTSA-N 0 0 195.237 2.069 10 0 AEAERN CC(=O)c1cccnc1NC(C)C 238167138 573853557 /nfs/dbraw/zinc/85/35/57/573853557.db2.gz LVNPUKISWKNYEA-UHFFFAOYSA-N 0 0 178.235 2.105 10 0 AEAERN Cc1cncc(C(F)F)c1C=O 238539964 573853577 /nfs/dbraw/zinc/85/35/77/573853577.db2.gz VEVHHJZPDSITBV-UHFFFAOYSA-N 0 0 171.146 2.140 10 0 AEAERN O=Cc1coc(-c2ccc(Cl)o2)n1 258162417 573853585 /nfs/dbraw/zinc/85/35/85/573853585.db2.gz RBBFAFZLHMBRCQ-UHFFFAOYSA-N 0 0 197.577 2.401 10 0 AEAERN CCC[C@H](C)[NH2+][C@@H](CC1CC1)C(=O)[O-] 308455477 573853598 /nfs/dbraw/zinc/85/35/98/573853598.db2.gz DNVYUBGDNYPVJS-WPRPVWTQSA-N 0 0 199.294 2.018 10 0 AEAERN CO[C@H](C)Cc1ccc([C@@H](C)O)cc1 258163165 573853599 /nfs/dbraw/zinc/85/35/99/573853599.db2.gz VHZOJZCCMOMAAY-NXEZZACHSA-N 0 0 194.274 2.317 10 0 AEAERN CCc1nc(Cl)c2n1CCCC2 258153949 573853634 /nfs/dbraw/zinc/85/36/34/573853634.db2.gz HKNBRTALURWCDE-UHFFFAOYSA-N 0 0 184.670 2.435 10 0 AEAERN Cc1cccc(OC(C)C)c1CCO 258155382 573853748 /nfs/dbraw/zinc/85/37/48/573853748.db2.gz UMMPYTZQDJKCLA-UHFFFAOYSA-N 0 0 194.274 2.317 10 0 AEAERN CCN1c2c(C=O)cccc2C[C@H]1C 258161979 573853742 /nfs/dbraw/zinc/85/37/42/573853742.db2.gz RPAOYGDYVVQBEO-SECBINFHSA-N 0 0 189.258 2.270 10 0 AEAERN CC(=O)CCC1=CCCC1 101234592 573853760 /nfs/dbraw/zinc/85/37/60/573853760.db2.gz AQZOGZOFTOYNNW-UHFFFAOYSA-N 0 0 138.210 2.466 10 0 AEAERN O=c1c(Cl)c1-c1ccccc1 238531004 573853765 /nfs/dbraw/zinc/85/37/65/573853765.db2.gz YNNZWTLWZIPQGA-UHFFFAOYSA-N 0 0 164.591 2.243 10 0 AEAERN OCC1C[C@@H]2CC3(CC3)C[C@H]2C1 258437093 573854413 /nfs/dbraw/zinc/85/44/13/573854413.db2.gz DRDBNEFAUOHXCL-NXEZZACHSA-N 0 0 166.264 2.195 10 0 AEAERN C[C@H](O)c1coc2cc(O)ccc12 257889885 573853846 /nfs/dbraw/zinc/85/38/46/573853846.db2.gz KYAOQVDSGCKCTD-LURJTMIESA-N 0 0 178.187 2.192 10 0 AEAERN OC[C@@H]1C[C@H]2CC3(CC3)C[C@H]2C1 258437090 573853847 /nfs/dbraw/zinc/85/38/47/573853847.db2.gz DRDBNEFAUOHXCL-ILWJIGKKSA-N 0 0 166.264 2.195 10 0 AEAERN COc1cc2c(cc1F)NC[C@@H](C)N2 87260523 573853861 /nfs/dbraw/zinc/85/38/61/573853861.db2.gz RQJKAWHRORVCAJ-ZCFIWIBFSA-N 0 0 196.225 2.060 10 0 AEAERN C[C@@]1(Cn2cccc2)CCCO1 87257510 573853877 /nfs/dbraw/zinc/85/38/77/573853877.db2.gz TWAOHHCZIVIFSS-JTQLQIEISA-N 0 0 165.236 2.057 10 0 AEAERN CC[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)[O-] 43627764 573853895 /nfs/dbraw/zinc/85/38/95/573853895.db2.gz LBPXOHQZFHDVHY-GUBZILKMSA-N 0 0 199.294 2.018 10 0 AEAERN CCC[C@H](O)c1csc(C)n1 122921882 573853913 /nfs/dbraw/zinc/85/39/13/573853913.db2.gz KDVVOWDSDNRABF-QMMMGPOBSA-N 0 0 171.265 2.285 10 0 AEAERN Cc1ccc2c(c1)C[C@@H]([C@H](C)O)S2 258161838 573853925 /nfs/dbraw/zinc/85/39/25/573853925.db2.gz ROHJLXJVILQQTH-KWQFWETISA-N 0 0 194.299 2.393 10 0 AEAERN CNc1c(-c2ccc(C)o2)n[nH]c1C 259212673 573853958 /nfs/dbraw/zinc/85/39/58/573853958.db2.gz NWUDWIWSUKGXAW-UHFFFAOYSA-N 0 0 191.234 2.328 10 0 AEAERN Clc1cccc2c1NCCN2 87260559 573853999 /nfs/dbraw/zinc/85/39/99/573853999.db2.gz REWYLBXZDOXOLQ-UHFFFAOYSA-N 0 0 168.627 2.177 10 0 AEAERN CC(C)=C[C@H]1OC(=O)N[C@H]1C(C)C 238165883 573854046 /nfs/dbraw/zinc/85/40/46/573854046.db2.gz QHLYSLDRQRXECK-BDAKNGLRSA-N 0 0 183.251 2.086 10 0 AEAERN OCc1cc([C@@H]2CCCCS2)on1 259212563 573854050 /nfs/dbraw/zinc/85/40/50/573854050.db2.gz LKKOHNNXOLFZKK-VIFPVBQESA-N 0 0 199.275 2.125 10 0 AEAERN CC(C)=C[C@@H]1[C@@H](CNC#N)C1(C)C 238165893 573854059 /nfs/dbraw/zinc/85/40/59/573854059.db2.gz DFYKHEASSMHVEG-NXEZZACHSA-N 0 0 178.279 2.295 10 0 AEAERN COCc1ccc(C(C)=O)c(F)c1 258155359 573854065 /nfs/dbraw/zinc/85/40/65/573854065.db2.gz ULXIADCVFKDVGU-UHFFFAOYSA-N 0 0 182.194 2.175 10 0 AEAERN Cc1ccc(N[C@@H]2CC[C@H]2O)cc1F 585298952 573854120 /nfs/dbraw/zinc/85/41/20/573854120.db2.gz VYKLHDTUWAEXAB-GHMZBOCLSA-N 0 0 195.237 2.069 10 0 AEAERN Cc1cc2c(c(=O)[nH]1)[C@H](C(C)C)CC2 238153958 573854156 /nfs/dbraw/zinc/85/41/56/573854156.db2.gz GHIVQBMJEQZKAH-JTQLQIEISA-N 0 0 191.274 2.369 10 0 AEAERN C[C@H](O)[C@@H]1CSc2ccc(F)cc21 258161934 573854157 /nfs/dbraw/zinc/85/41/57/573854157.db2.gz ROTGBPOFMIUCOE-RCOVLWMOSA-N 0 0 198.262 2.396 10 0 AEAERN CN(c1ccccn1)[C@@H]1CCC[C@H]1F 585298948 573854178 /nfs/dbraw/zinc/85/41/78/573854178.db2.gz VYHIWSVEIAPIJC-NXEZZACHSA-N 0 0 194.253 2.408 10 0 AEAERN CC1(C)CC[N@@H+](CC(=O)C(C)(C)C)C1 87256907 573854181 /nfs/dbraw/zinc/85/41/81/573854181.db2.gz CKDBWXXDPMTEGD-UHFFFAOYSA-N 0 0 197.322 2.334 10 0 AEAERN CC[C@H]1NC(=O)O[C@H]1C1CCCCC1 101241542 573854189 /nfs/dbraw/zinc/85/41/89/573854189.db2.gz FOORSLDAWSBBFM-ZJUUUORDSA-N 0 0 197.278 2.454 10 0 AEAERN Cc1ccc(N[C@@H]2CC[C@H]2O)c(C)c1 585298939 573854212 /nfs/dbraw/zinc/85/42/12/573854212.db2.gz TYWJYVDOSSBSCM-VXGBXAGGSA-N 0 0 191.274 2.239 10 0 AEAERN COC(=O)[C@@H](C)OCCCC(C)C 43625826 573854294 /nfs/dbraw/zinc/85/42/94/573854294.db2.gz YCDHRGHJGHTSFE-SECBINFHSA-N 0 0 188.267 2.001 10 0 AEAERN CCOc1ccc(N(C)C#N)cc1F 259210549 573854313 /nfs/dbraw/zinc/85/43/13/573854313.db2.gz ADXZSEALOHFZTO-UHFFFAOYSA-N 0 0 194.209 2.142 10 0 AEAERN CCC[C@H](C)[NH2+][C@H](CC1CC1)C(=O)[O-] 308455476 573854315 /nfs/dbraw/zinc/85/43/15/573854315.db2.gz DNVYUBGDNYPVJS-WCBMZHEXSA-N 0 0 199.294 2.018 10 0 AEAERN CN(c1ccccn1)[C@H]1CCC[C@H]1F 585298951 573854455 /nfs/dbraw/zinc/85/44/55/573854455.db2.gz VYHIWSVEIAPIJC-ZJUUUORDSA-N 0 0 194.253 2.408 10 0 AEAERN CC[C@@H]1NC(=O)O[C@H]1C1CCCCC1 101241544 573855256 /nfs/dbraw/zinc/85/52/56/573855256.db2.gz FOORSLDAWSBBFM-UWVGGRQHSA-N 0 0 197.278 2.454 10 0 AEAERN CCOc1cccc(C)c1O 101234573 573855279 /nfs/dbraw/zinc/85/52/79/573855279.db2.gz BRUCDOGRMXEGLG-UHFFFAOYSA-N 0 0 152.193 2.099 10 0 AEAERN CC(C)CC1=NC(C)C(=O)S1 259210721 573855282 /nfs/dbraw/zinc/85/52/82/573855282.db2.gz HXOJEPDYKWRVLH-UHFFFAOYSA-N 0 0 171.265 2.356 10 0 AEAERN Cc1ccc(N[C@@H]2CC[C@H]2O)cc1C 585298736 573855287 /nfs/dbraw/zinc/85/52/87/573855287.db2.gz AUBUCXPCPBHVIF-VXGBXAGGSA-N 0 0 191.274 2.239 10 0 AEAERN F[C@@H]1CCC[C@H]1Nc1ccccn1 585297916 573855312 /nfs/dbraw/zinc/85/53/12/573855312.db2.gz MEEGZJLHSWLULV-RKDXNWHRSA-N 0 0 180.226 2.384 10 0 AEAERN Fc1cc2c(cc1Cl)NCCN2 87260563 573855315 /nfs/dbraw/zinc/85/53/15/573855315.db2.gz SFKWUCSMXFNRGA-UHFFFAOYSA-N 0 0 186.617 2.317 10 0 AEAERN O=C1OCc2cc(F)c(Cl)cc21 238542260 573855321 /nfs/dbraw/zinc/85/53/21/573855321.db2.gz CVMANAMZYUEPPA-UHFFFAOYSA-N 0 0 186.569 2.150 10 0 AEAERN Cc1ccc([C@H]2CC[C@@H](O)O2)cc1 238541957 573856247 /nfs/dbraw/zinc/85/62/47/573856247.db2.gz OXBYUZPHBDCLSY-MNOVXSKESA-N 0 0 178.231 2.165 10 0 AEAERN Cc1cncc(F)c1C(F)F 238541794 573855354 /nfs/dbraw/zinc/85/53/54/573855354.db2.gz MWXZQNXRENNVNS-UHFFFAOYSA-N 0 0 161.126 2.467 10 0 AEAERN CCC[C@@H](C)[NH2+][C@H](CC1CC1)C(=O)[O-] 308455473 573855367 /nfs/dbraw/zinc/85/53/67/573855367.db2.gz DNVYUBGDNYPVJS-PSASIEDQSA-N 0 0 199.294 2.018 10 0 AEAERN C[C@]12CCCN1c1ccccc1CN2 238542634 573855390 /nfs/dbraw/zinc/85/53/90/573855390.db2.gz KCVSIYMYCYGXAL-GFCCVEGCSA-N 0 0 188.274 2.106 10 0 AEAERN CCC(=O)[C@@H](C)[N@@H+]1CCC(C)(C)C1 87256855 573855394 /nfs/dbraw/zinc/85/53/94/573855394.db2.gz ZUPZCFMGZDXWFP-SECBINFHSA-N 0 0 183.295 2.086 10 0 AEAERN Fc1cccc(-c2cncnc2)c1F 238542322 573855407 /nfs/dbraw/zinc/85/54/07/573855407.db2.gz XEMQVYZCUOUJIX-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN Cc1cc(F)c2n[nH]cc2c1 238541929 573855492 /nfs/dbraw/zinc/85/54/92/573855492.db2.gz NEYBOPADEPCZQR-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 in-vitro AEAERN C[C@]1(Cn2cccc2)CCCO1 87257509 573855502 /nfs/dbraw/zinc/85/55/02/573855502.db2.gz TWAOHHCZIVIFSS-SNVBAGLBSA-N 0 0 165.236 2.057 10 0 AEAERN Cc1ccc(F)cc1N[C@@H]1CC[C@H]1O 585298996 573855553 /nfs/dbraw/zinc/85/55/53/573855553.db2.gz YLQRYPIQQOMWKF-MWLCHTKSSA-N 0 0 195.237 2.069 10 0 AEAERN CC/C(=C\[C@H]1CCSC1)CO 224724203 573855566 /nfs/dbraw/zinc/85/55/66/573855566.db2.gz UZXDLEKRKBWJRE-WHXYTISESA-N 0 0 172.293 2.068 10 0 AEAERN Clc1c[nH]c(-c2ccco2)n1 258156877 573855589 /nfs/dbraw/zinc/85/55/89/573855589.db2.gz BFKVGDKJDSHSGG-UHFFFAOYSA-N 0 0 168.583 2.323 10 0 AEAERN OCc1cc([C@H]2CCCCS2)on1 259212558 573855593 /nfs/dbraw/zinc/85/55/93/573855593.db2.gz LKKOHNNXOLFZKK-SECBINFHSA-N 0 0 199.275 2.125 10 0 AEAERN Cc1cc(F)cnc1OC(C)C 238165846 573855602 /nfs/dbraw/zinc/85/56/02/573855602.db2.gz GVJCACNMTAINSD-UHFFFAOYSA-N 0 0 169.199 2.316 10 0 AEAERN Cc1cc(F)c2[nH]cc(CO)c2c1 238541813 573855610 /nfs/dbraw/zinc/85/56/10/573855610.db2.gz WHGFAGIWLPWSRJ-UHFFFAOYSA-N 0 0 179.194 2.108 10 0 AEAERN COc1cc2c(cc1F)NC[C@H](C)N2 87260525 573855632 /nfs/dbraw/zinc/85/56/32/573855632.db2.gz RQJKAWHRORVCAJ-LURJTMIESA-N 0 0 196.225 2.060 10 0 AEAERN CC(C)=C[C@@H]1[C@H]2CCC(=O)[C@@H]12 238166916 573855660 /nfs/dbraw/zinc/85/56/60/573855660.db2.gz OILJGMWHMVWKQR-NQMVMOMDSA-N 0 0 150.221 2.178 10 0 AEAERN Cc1c(C)c(NC=O)c(C)c(C)c1N 238542582 573856218 /nfs/dbraw/zinc/85/62/18/573856218.db2.gz TWJRMBKVIVTPJI-UHFFFAOYSA-N 0 0 192.262 2.071 10 0 AEAERN CC(C)[C@H]1COc2cnc(C=O)cc21 238165831 573855703 /nfs/dbraw/zinc/85/57/03/573855703.db2.gz JIOMYWXYLMLZCB-SNVBAGLBSA-N 0 0 191.230 2.026 10 0 AEAERN NOCc1ccc(C(F)F)c(F)c1 258155533 573855715 /nfs/dbraw/zinc/85/57/15/573855715.db2.gz UQBCSMBZCLLWJI-UHFFFAOYSA-N 0 0 191.152 2.154 10 0 AEAERN Cc1cc(C)c(NC(N)=O)cc1Cl 238542939 573855726 /nfs/dbraw/zinc/85/57/26/573855726.db2.gz KMAAIFWNYUCNNT-UHFFFAOYSA-N 0 0 198.653 2.447 10 0 AEAERN CC1(C)OC(=O)N[C@H]1c1cccs1 238167000 573855735 /nfs/dbraw/zinc/85/57/35/573855735.db2.gz YEEAGZBXCRMWSA-ZETCQYMHSA-N 0 0 197.259 2.308 10 0 AEAERN Cc1ccc([C@H]2CC[C@H](O)C2)o1 238542339 573855736 /nfs/dbraw/zinc/85/57/36/573855736.db2.gz PMEJONWFACEIFO-IUCAKERBSA-N 0 0 166.220 2.216 10 0 AEAERN CO[C@@H](C)Cc1ccc([C@H](C)O)cc1 258163166 573855754 /nfs/dbraw/zinc/85/57/54/573855754.db2.gz VHZOJZCCMOMAAY-UWVGGRQHSA-N 0 0 194.274 2.317 10 0 AEAERN Cc1cc(F)c2oncc2c1 238542884 573855762 /nfs/dbraw/zinc/85/57/62/573855762.db2.gz NKJUEAYWXWMKIY-UHFFFAOYSA-N 0 0 151.140 2.275 10 0 AEAERN Cc1cc(C)c(NC=O)c(C)c1C 238542998 573855785 /nfs/dbraw/zinc/85/57/85/573855785.db2.gz XDCBHVZXLCVDMU-UHFFFAOYSA-N 0 0 177.247 2.489 10 0 AEAERN Cc1ccc(N[C@H]2CC[C@@H]2O)cc1C 585298735 573855807 /nfs/dbraw/zinc/85/58/07/573855807.db2.gz AUBUCXPCPBHVIF-RYUDHWBXSA-N 0 0 191.274 2.239 10 0 AEAERN CO[C@@H](C)Cc1ccc([C@@H](C)O)cc1 258163168 573855833 /nfs/dbraw/zinc/85/58/33/573855833.db2.gz VHZOJZCCMOMAAY-VHSXEESVSA-N 0 0 194.274 2.317 10 0 AEAERN C[C@H]1CNc2c(F)cccc2N1 87260522 573855844 /nfs/dbraw/zinc/85/58/44/573855844.db2.gz XZVFNNSMDNEAJF-LURJTMIESA-N 0 0 166.199 2.052 10 0 AEAERN CC(C)(O)[C@H]1CNc2cccc(F)c21 258157747 573855928 /nfs/dbraw/zinc/85/59/28/573855928.db2.gz RJPKBLKCSAXFIC-ZETCQYMHSA-N 0 0 195.237 2.106 10 0 AEAERN CC(C)C[C@@H](O)c1ccccc1O 238153446 573855855 /nfs/dbraw/zinc/85/58/55/573855855.db2.gz JSBLHONOUDJALW-LLVKDONJSA-N 0 0 180.247 2.472 10 0 AEAERN C[C@H]1CNc2cc(F)ccc2N1 87260543 573855880 /nfs/dbraw/zinc/85/58/80/573855880.db2.gz XDJWTBDGIRCPAO-LURJTMIESA-N 0 0 166.199 2.052 10 0 AEAERN Cc1ccc(N[C@H]2CC[C@H]2O)c(C)c1 585298937 573855894 /nfs/dbraw/zinc/85/58/94/573855894.db2.gz TYWJYVDOSSBSCM-NWDGAFQWSA-N 0 0 191.274 2.239 10 0 AEAERN Fc1cccc(-c2cnoc2)c1 238542390 573855895 /nfs/dbraw/zinc/85/58/95/573855895.db2.gz ACDRIDCTVGPSHC-UHFFFAOYSA-N 0 0 163.151 2.481 10 0 AEAERN Cc1cc(F)c2cnoc2c1 238542335 573855899 /nfs/dbraw/zinc/85/58/99/573855899.db2.gz SXMZRAFXEWNBBV-UHFFFAOYSA-N 0 0 151.140 2.275 10 0 AEAERN CO[C@H](C)Cc1ccc([C@H](C)O)cc1 258163170 573855906 /nfs/dbraw/zinc/85/59/06/573855906.db2.gz VHZOJZCCMOMAAY-ZJUUUORDSA-N 0 0 194.274 2.317 10 0 AEAERN C[C@@H]1CNc2cc(F)ccc2N1 87260541 573855951 /nfs/dbraw/zinc/85/59/51/573855951.db2.gz XDJWTBDGIRCPAO-ZCFIWIBFSA-N 0 0 166.199 2.052 10 0 AEAERN CCc1[nH+]cc2cc(C)ccn12 258156792 573856231 /nfs/dbraw/zinc/85/62/31/573856231.db2.gz IBQKFVFRWGBNQE-UHFFFAOYSA-N 0 0 160.220 2.205 10 0 AEAERN Cc1ccc(C)c(N[C@H]2CC[C@@H]2O)c1 585298805 573856031 /nfs/dbraw/zinc/85/60/31/573856031.db2.gz KHVBBKUVVDEHKC-JQWIXIFHSA-N 0 0 191.274 2.239 10 0 AEAERN Cc1cc(C)c(NC#N)cc1NC#N 238542433 573856033 /nfs/dbraw/zinc/85/60/33/573856033.db2.gz QUSGJXIGAHUQFY-UHFFFAOYSA-N 0 0 186.218 2.089 10 0 AEAERN CC(C)(C)[C@@]12CC[C@@H](C1)C2=O 238166418 573856080 /nfs/dbraw/zinc/85/60/80/573856080.db2.gz GKKRQDCBPSJKLN-XVKPBYJWSA-N 0 0 152.237 2.402 10 0 AEAERN Nc1ccc2ccc(F)cc2c1N 257890322 573856108 /nfs/dbraw/zinc/85/61/08/573856108.db2.gz NGZSDYZQUZLNBS-UHFFFAOYSA-N 0 0 176.194 2.143 10 0 AEAERN Cc1c(C)c(N)c(Cl)c(C)c1N 238542422 573856239 /nfs/dbraw/zinc/85/62/39/573856239.db2.gz ZEXJVDGKKPXGFZ-UHFFFAOYSA-N 0 0 184.670 2.430 10 0 AEAERN CC1(C)CC[N@@H+]([C@@H]2CCCCC2=O)C1 87256880 573856190 /nfs/dbraw/zinc/85/61/90/573856190.db2.gz QBLMDZFFGLNBKV-SNVBAGLBSA-N 0 0 195.306 2.230 10 0 AEAERN CCCCOCC[C@@H](C)[C@@H](C)O 43658769 573856191 /nfs/dbraw/zinc/85/61/91/573856191.db2.gz PRHUTVIQNJFCBF-NXEZZACHSA-N 0 0 174.284 2.210 10 0 AEAERN CCC[C@@H](C)N(C(=O)OC)C1CC1 308456860 573856993 /nfs/dbraw/zinc/85/69/93/573856993.db2.gz GEHROOCXGZQALO-MRVPVSSYSA-N 0 0 185.267 2.406 10 0 AEAERN 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198.222 2.330 10 0 AEAERN CC[C@]1(C)CNc2cc(C)cnc2N1 87261703 573859733 /nfs/dbraw/zinc/85/97/33/573859733.db2.gz GBDUWSVASKOFMA-LLVKDONJSA-N 0 0 191.278 2.396 10 0 AEAERN CCOCC[C@@H]1C[C@H](C)CCC1=O 43652182 573859785 /nfs/dbraw/zinc/85/97/85/573859785.db2.gz USIHBOBDOVNLEU-NXEZZACHSA-N 0 0 184.279 2.418 10 0 AEAERN CC[C@@H](C)[C@@H]1CNc2cccnc2N1 87261049 573859891 /nfs/dbraw/zinc/85/98/91/573859891.db2.gz SPDNQJLZYLCNDD-SCZZXKLOSA-N 0 0 191.278 2.334 10 0 AEAERN CC[C@H]1CNc2cc(C)cnc2N1C 87262290 573859915 /nfs/dbraw/zinc/85/99/15/573859915.db2.gz SPUZTPLOIWSMRN-VIFPVBQESA-N 0 0 191.278 2.030 10 0 AEAERN c1ccc2c(c1)NCC1(CC1)N2 87261336 573859928 /nfs/dbraw/zinc/85/99/28/573859928.db2.gz FMWRZBIMEJGINE-UHFFFAOYSA-N 0 0 160.220 2.057 10 0 AEAERN CC[C@@H](C)C[C@@H](CCSC)NN 131379651 573859946 /nfs/dbraw/zinc/85/99/46/573859946.db2.gz BMWYWBJROQNYBC-RKDXNWHRSA-N 0 0 190.356 2.008 10 0 AEAERN Fc1cccc(F)c1-c1nncs1 238547209 573859970 /nfs/dbraw/zinc/85/99/70/573859970.db2.gz 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/nfs/dbraw/zinc/86/05/09/573860509.db2.gz NTKVNBRPHZWKRQ-UHFFFAOYSA-N 0 0 173.162 2.342 10 0 AEAERN CC(C)=C[C@H](O)[C@@H](O)c1ccccc1 238169477 573860570 /nfs/dbraw/zinc/86/05/70/573860570.db2.gz WBOUTNSONWEYKW-RYUDHWBXSA-N 0 0 192.258 2.047 10 0 AEAERN C[C@H]1CNc2cccc(F)c2NC1 87261500 573860576 /nfs/dbraw/zinc/86/05/76/573860576.db2.gz CDIWOCZXXXSTGA-ZETCQYMHSA-N 0 0 180.226 2.299 10 0 AEAERN CC1(C)CNc2c(F)cccc2N1 87261547 573860591 /nfs/dbraw/zinc/86/05/91/573860591.db2.gz JMXRXGOESJBPHG-UHFFFAOYSA-N 0 0 180.226 2.442 10 0 AEAERN CC(C)=C[C@H](O)[C@@H]1CCCCC1=O 238169496 573860594 /nfs/dbraw/zinc/86/05/94/573860594.db2.gz VBRPRRLHELMEHB-KOLCDFICSA-N 0 0 182.263 2.073 10 0 AEAERN CCN1CCCNc2ccc(F)cc21 87262043 573860622 /nfs/dbraw/zinc/86/06/22/573860622.db2.gz KIKJHKQIZDMUPY-UHFFFAOYSA-N 0 0 194.253 2.468 10 0 AEAERN CC[C@@H]1CNc2c(F)cccc2N1 87261185 573860650 /nfs/dbraw/zinc/86/06/50/573860650.db2.gz VCOIVMGPUYGDFN-SSDOTTSWSA-N 0 0 180.226 2.442 10 0 AEAERN Cc1nc(N)c(F)cc1C(F)F 238547527 573860674 /nfs/dbraw/zinc/86/06/74/573860674.db2.gz ONBHMTHWZDESDO-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN CC1(C)C[C@](O)(C(C)(C)C)CCO1 84375240 573860681 /nfs/dbraw/zinc/86/06/81/573860681.db2.gz BOZCLFQSHJIKFO-NSHDSACASA-N 0 0 186.295 2.353 10 0 AEAERN COCNc1coc2ccccc12 259215588 573860693 /nfs/dbraw/zinc/86/06/93/573860693.db2.gz XKIJXHIEYVWIFM-UHFFFAOYSA-N 0 0 177.203 2.449 10 0 AEAERN CCC[C@@H]1CNc2cccnc2NC1 87262501 573860698 /nfs/dbraw/zinc/86/06/98/573860698.db2.gz SMUFTTHYLGPMRP-SECBINFHSA-N 0 0 191.278 2.335 10 0 AEAERN Fc1ccc2c(c1F)NC1(CC1)CN2 87261358 573860803 /nfs/dbraw/zinc/86/08/03/573860803.db2.gz SIKYOTRQZPGGEQ-UHFFFAOYSA-N 0 0 196.200 2.335 10 0 AEAERN C[C@@H](O)c1cccc2c1NC[C@@H]2C 258157781 573860734 /nfs/dbraw/zinc/86/07/34/573860734.db2.gz RJXKXHAKHHZLJB-JGVFFNPUSA-N 0 0 177.247 2.269 10 0 AEAERN CC[C@@H]1CNc2cc(F)ccc2N1 87261167 573860736 /nfs/dbraw/zinc/86/07/36/573860736.db2.gz UBUXWQJADMMAFW-MRVPVSSYSA-N 0 0 180.226 2.442 10 0 AEAERN Cc1cccc2c1[C@](C)(O)CCN2 257891214 573863450 /nfs/dbraw/zinc/86/34/50/573863450.db2.gz NMMQSZYFEILNOK-LLVKDONJSA-N 0 0 177.247 2.018 10 0 AEAERN COc1ccc(SC=O)cc1C 259215364 573863428 /nfs/dbraw/zinc/86/34/28/573863428.db2.gz LYCJNYLDPNLFEF-UHFFFAOYSA-N 0 0 182.244 2.286 10 0 AEAERN CC[C@@]1(C)C[C@@](O)(C2CC2)CCO1 84375251 573862428 /nfs/dbraw/zinc/86/24/28/573862428.db2.gz AEKDKMPNZRQMOJ-WDEREUQCSA-N 0 0 184.279 2.107 10 0 AEAERN CO/C=C/C=C\[C@H](O)c1ccccc1 308457258 573862433 /nfs/dbraw/zinc/86/24/33/573862433.db2.gz XPEOREHQVVRHJI-LNHWFUAMSA-N 0 0 190.242 2.436 10 0 AEAERN C[C@@H]1NC(=O)Nc2c(F)cccc21 257891158 573862483 /nfs/dbraw/zinc/86/24/83/573862483.db2.gz NKMKVJXCDGHCOL-YFKPBYRVSA-N 0 0 180.182 2.022 10 0 AEAERN Cc1cscc1-c1nsc(N)n1 87287832 573862572 /nfs/dbraw/zinc/86/25/72/573862572.db2.gz KETVKMZNCCZDIP-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN CC(C)=C[C@H]1[C@H](CC(N)=O)C1(C)C 238171659 573862612 /nfs/dbraw/zinc/86/26/12/573862612.db2.gz XBSMUTHVXXYKRE-IUCAKERBSA-N 0 0 181.279 2.100 10 0 AEAERN C[C@H](CO)c1cc(F)cc(F)c1 87283528 573862618 /nfs/dbraw/zinc/86/26/18/573862618.db2.gz XGTSIUBDHMAXMS-ZCFIWIBFSA-N 0 0 172.174 2.061 10 0 AEAERN Cc1c[nH]c2cccc(CCO)c12 258164394 573862622 /nfs/dbraw/zinc/86/26/22/573862622.db2.gz RSNMFJDEXQMCTR-UHFFFAOYSA-N 0 0 175.231 2.011 10 0 AEAERN CC(C)[C@@H]1O[C@@H](O)Cc2ccccc21 238172026 573862631 /nfs/dbraw/zinc/86/26/31/573862631.db2.gz IKSAMIKVAZWWCY-NEPJUHHUSA-N 0 0 192.258 2.275 10 0 AEAERN CC[C@H]1C[C@@](O)(C(C)(C)C)CCO1 84375219 573862664 /nfs/dbraw/zinc/86/26/64/573862664.db2.gz MNVFQOOWYJEBJK-GXSJLCMTSA-N 0 0 186.295 2.353 10 0 AEAERN Cc1nc(-c2ccc(C)o2)c[nH]1 259214559 573862677 /nfs/dbraw/zinc/86/26/77/573862677.db2.gz YSZALENWTNSINZ-UHFFFAOYSA-N 0 0 162.192 2.287 10 0 AEAERN O=Cc1ccc2ccc(Cl)nc2n1 76499671 573862690 /nfs/dbraw/zinc/86/26/90/573862690.db2.gz JFMFDFOUMYNLTG-UHFFFAOYSA-N 0 0 192.605 2.096 10 0 AEAERN C[C@H](O)c1cccc2c1N(C)[C@H](C)C2 258164198 573864099 /nfs/dbraw/zinc/86/40/99/573864099.db2.gz RRCJEJVQQTZRCY-BDAKNGLRSA-N 0 0 191.274 2.121 10 0 AEAERN CC(=O)OCc1cc(C)c(C)c(O)c1 238170671 573862753 /nfs/dbraw/zinc/86/27/53/573862753.db2.gz YZRKPFRHUJPCJZ-UHFFFAOYSA-N 0 0 194.230 2.072 10 0 AEAERN NC1=NO[C@H](c2ccccc2Cl)C1 257890886 573862772 /nfs/dbraw/zinc/86/27/72/573862772.db2.gz XCOJQXWHMIXMSX-QMMMGPOBSA-N 0 0 196.637 2.074 10 0 AEAERN CC(=O)[C@@H]1C[C@H]2C[C@@H]1C=C2C 238171436 573864142 /nfs/dbraw/zinc/86/41/42/573864142.db2.gz QZRHZPXCCYIESS-UTLUCORTSA-N 0 0 150.221 2.178 10 0 AEAERN Cc1ccc([C@H](C)CO)cc1F 87285446 573862791 /nfs/dbraw/zinc/86/27/91/573862791.db2.gz WYZSNOPWEKRUKQ-MRVPVSSYSA-N 0 0 168.211 2.230 10 0 AEAERN CC1=NC(=O)OC1c1ccc(F)cc1 257890737 573862805 /nfs/dbraw/zinc/86/28/05/573862805.db2.gz XAOGQPMXNLGQFW-UHFFFAOYSA-N 0 0 193.177 2.495 10 0 AEAERN CC(C)C[C@@]1(C)CCC[C@@H](O)O1 238170634 573862840 /nfs/dbraw/zinc/86/28/40/573862840.db2.gz NGJFVWFSWAPUQO-VHSXEESVSA-N 0 0 172.268 2.310 10 0 AEAERN CC(C)C[C@@]1(C)CCC[C@H](O)O1 238170654 573862864 /nfs/dbraw/zinc/86/28/64/573862864.db2.gz NGJFVWFSWAPUQO-NXEZZACHSA-N 0 0 172.268 2.310 10 0 AEAERN C[C@@H](O)[C@@H]1CSc2cccc(F)c21 258164525 573862876 /nfs/dbraw/zinc/86/28/76/573862876.db2.gz RTWRYFUKGVMHRO-RQJHMYQMSA-N 0 0 198.262 2.396 10 0 AEAERN Cc1cscc1[C@@H](O)C1CC1 87288032 573862903 /nfs/dbraw/zinc/86/29/03/573862903.db2.gz ZZGBMDMNAVTHNX-VIFPVBQESA-N 0 0 168.261 2.500 10 0 AEAERN Cc1cscc1[C@@H](O)[C@@H]1CCOC1 87288102 573862952 /nfs/dbraw/zinc/86/29/52/573862952.db2.gz SCGGGFWOUJKVMO-SCZZXKLOSA-N 0 0 198.287 2.126 10 0 AEAERN Fc1cn2nccc2cc1Cl 238547785 573863009 /nfs/dbraw/zinc/86/30/09/573863009.db2.gz XYQUSGOSEZZSGL-UHFFFAOYSA-N 0 0 170.574 2.127 10 0 AEAERN Cc1cn(C)c(OC2CCCC2)n1 238548188 573863016 /nfs/dbraw/zinc/86/30/16/573863016.db2.gz ZCSQOVXRBYFNNN-UHFFFAOYSA-N 0 0 180.251 2.050 10 0 AEAERN COc1ccc(F)c2c1C[C@H](C)CN2 87287273 573863018 /nfs/dbraw/zinc/86/30/18/573863018.db2.gz XRHGTDCPAMPTPD-ZETCQYMHSA-N 0 0 195.237 2.438 10 0 AEAERN CC[C@H](O)c1ccc(Cl)cn1 87285763 573863073 /nfs/dbraw/zinc/86/30/73/573863073.db2.gz SWQBSNPMSCWTEY-QMMMGPOBSA-N 0 0 171.627 2.178 10 0 AEAERN CC(C)N(N=O)c1ccc(O)cc1 238171220 573863081 /nfs/dbraw/zinc/86/30/81/573863081.db2.gz UHGAMQXYPRTZBE-UHFFFAOYSA-N 0 0 180.207 2.288 10 0 AEAERN CC(=O)[C@@H]1C[C@]1(C)C1CC1 238171692 573863095 /nfs/dbraw/zinc/86/30/95/573863095.db2.gz IBRXMJDHYWCNFJ-DTWKUNHWSA-N 0 0 138.210 2.012 10 0 AEAERN Cc1cc(C)cc(C(C)(C)C(N)=O)c1 238548216 573863127 /nfs/dbraw/zinc/86/31/27/573863127.db2.gz ZRFIKKFIDAMBHF-UHFFFAOYSA-N 0 0 191.274 2.066 10 0 AEAERN C[C@H]1Cc2cccc([C@@H](C)O)c2N1C 258164202 573863156 /nfs/dbraw/zinc/86/31/56/573863156.db2.gz RRCJEJVQQTZRCY-DTWKUNHWSA-N 0 0 191.274 2.121 10 0 AEAERN Cc1c(F)c(C(F)F)c[nH]c1=O 238547052 573863198 /nfs/dbraw/zinc/86/31/98/573863198.db2.gz PZKUAPNMBGFUAJ-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN COc1c(C(C)=O)ccc(C)c1F 258165622 573863211 /nfs/dbraw/zinc/86/32/11/573863211.db2.gz VIOJMUZGKWEHLM-UHFFFAOYSA-N 0 0 182.194 2.345 10 0 AEAERN COc1ccc(F)c2c1C[C@@H](C)CN2 87287272 573863242 /nfs/dbraw/zinc/86/32/42/573863242.db2.gz XRHGTDCPAMPTPD-SSDOTTSWSA-N 0 0 195.237 2.438 10 0 AEAERN CC(C)=C[C@H]1[C@H](CNC#N)C1(C)C 238171763 573863325 /nfs/dbraw/zinc/86/33/25/573863325.db2.gz DFYKHEASSMHVEG-UWVGGRQHSA-N 0 0 178.279 2.295 10 0 AEAERN Cc1c(C(F)F)cc(F)[nH]c1=O 238546325 573863331 /nfs/dbraw/zinc/86/33/31/573863331.db2.gz ZLEGGTMFCANASB-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN C[C@H](O)[C@@H]1CSc2cccc(F)c21 258164517 573864143 /nfs/dbraw/zinc/86/41/43/573864143.db2.gz RTWRYFUKGVMHRO-BQBZGAKWSA-N 0 0 198.262 2.396 10 0 AEAERN C[C@H]1CC(=O)C[C@H](C(C)(C)C)O1 259215892 573864146 /nfs/dbraw/zinc/86/41/46/573864146.db2.gz AOPVDFYDDKCIDY-IONNQARKSA-N 0 0 170.252 2.169 10 0 AEAERN CNc1cc2c(nn1)CCC(C)(C)C2 79660978 573863470 /nfs/dbraw/zinc/86/34/70/573863470.db2.gz WJCSNIDUHLRMFJ-UHFFFAOYSA-N 0 0 191.278 2.033 10 0 AEAERN CC(=O)[C@@H]1C[C@]12CC2(C)C 238171813 573863477 /nfs/dbraw/zinc/86/34/77/573863477.db2.gz RZSDPLLHFQACMT-CBAPKCEASA-N 0 0 138.210 2.012 10 0 AEAERN COc1cc(C)c2cc[nH]c2c1OC 257890853 573863511 /nfs/dbraw/zinc/86/35/11/573863511.db2.gz XCESOEHSVDIQKU-UHFFFAOYSA-N 0 0 191.230 2.494 10 0 AEAERN CC[C@@H]1C[C@](O)(C(C)(C)C)CCO1 84375216 573863547 /nfs/dbraw/zinc/86/35/47/573863547.db2.gz MNVFQOOWYJEBJK-KOLCDFICSA-N 0 0 186.295 2.353 10 0 AEAERN Fc1ccnc(C2CCC2)c1 238546759 573863552 /nfs/dbraw/zinc/86/35/52/573863552.db2.gz JJNAJPLNKGYGFU-UHFFFAOYSA-N 0 0 151.184 2.488 10 0 AEAERN C/C=C(/C)c1nc(COCC)no1 393565986 573863559 /nfs/dbraw/zinc/86/35/59/573863559.db2.gz LIJXHFSDVYHEPO-DAXSKMNVSA-N 0 0 182.223 2.029 10 0 AEAERN Cc1cscc1[C@@H](O)[C@H]1CCOC1 87288104 573863562 /nfs/dbraw/zinc/86/35/62/573863562.db2.gz SCGGGFWOUJKVMO-WPRPVWTQSA-N 0 0 198.287 2.126 10 0 AEAERN CC(C)[C@H](O)c1ccc(Cl)cn1 87285841 573863579 /nfs/dbraw/zinc/86/35/79/573863579.db2.gz YQAIXJXOBXXOTF-VIFPVBQESA-N 0 0 185.654 2.424 10 0 AEAERN CC[C@H]1C[C@](O)(C(C)(C)C)CCO1 84375217 573863590 /nfs/dbraw/zinc/86/35/90/573863590.db2.gz MNVFQOOWYJEBJK-ONGXEEELSA-N 0 0 186.295 2.353 10 0 AEAERN CCCC[C@@H](O)c1cnccc1OC 308457914 573863591 /nfs/dbraw/zinc/86/35/91/573863591.db2.gz DPWFVHZZJGWJPN-SNVBAGLBSA-N 0 0 195.262 2.314 10 0 AEAERN CC[C@@H]1CC[C@](O)(C2CC2)C1 84375300 573863685 /nfs/dbraw/zinc/86/36/85/573863685.db2.gz PDIGFMHUOGCKHD-PSASIEDQSA-N 0 0 154.253 2.338 10 0 AEAERN O[C@H](c1ccc(Cl)cn1)C1CC1 87285752 573863693 /nfs/dbraw/zinc/86/36/93/573863693.db2.gz OKOFAQPSACMFFY-VIFPVBQESA-N 0 0 183.638 2.178 10 0 AEAERN Cc1ccnc2c1-c1ccccc1[C@H]2O 238547433 573863711 /nfs/dbraw/zinc/86/37/11/573863711.db2.gz IDZADZKIRSHSKE-CYBMUJFWSA-N 0 0 197.237 2.452 10 0 AEAERN CC(C)C[C@]1(C(N)=O)CC=CCC1 238170330 573863725 /nfs/dbraw/zinc/86/37/25/573863725.db2.gz BOWJYILKFKKMRY-NSHDSACASA-N 0 0 181.279 2.244 10 0 AEAERN Cn1ncc2cc(Cl)cc(F)c21 238547784 573863751 /nfs/dbraw/zinc/86/37/51/573863751.db2.gz LWWZSTHHCMVDCT-UHFFFAOYSA-N 0 0 184.601 2.366 10 0 AEAERN Cc1oc(CO)nc1C1CCCC1 257891185 573863784 /nfs/dbraw/zinc/86/37/84/573863784.db2.gz NLIUBLVXXSPUDK-UHFFFAOYSA-N 0 0 181.235 2.133 10 0 AEAERN CC(C)c1nc2ccc(N)nc2s1 238170106 573863831 /nfs/dbraw/zinc/86/38/31/573863831.db2.gz HPBKAFWYNQUACK-UHFFFAOYSA-N 0 0 193.275 2.397 10 0 AEAERN Cc1cnc(-c2cccc(C=O)c2)nc1 257890848 573863832 /nfs/dbraw/zinc/86/38/32/573863832.db2.gz UFJORGSYGQDRLL-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN CC(=O)[C@@H]1C[C@@]2(C)C=C[C@@H]1C2 238171972 573863837 /nfs/dbraw/zinc/86/38/37/573863837.db2.gz UVNSBVDWAQXACB-UTLUCORTSA-N 0 0 150.221 2.178 10 0 AEAERN Cc1cscc1-c1ncc(N)cn1 87287824 573863877 /nfs/dbraw/zinc/86/38/77/573863877.db2.gz FIZWFAYWALABGB-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN CC(C)C[C@@]1(C)OCC(=O)[C@H]1C 238171193 573863920 /nfs/dbraw/zinc/86/39/20/573863920.db2.gz MGRLNSLJZOBHNW-PSASIEDQSA-N 0 0 170.252 2.027 10 0 AEAERN C[C@H](O)c1cccc2c1N(C)[C@@H](C)C2 258164210 573863953 /nfs/dbraw/zinc/86/39/53/573863953.db2.gz RRCJEJVQQTZRCY-IUCAKERBSA-N 0 0 191.274 2.121 10 0 AEAERN Cn1nc(C2CC2)c2c(O)cccc21 257890862 573863975 /nfs/dbraw/zinc/86/39/75/573863975.db2.gz XCISJADCLDUMSF-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN c1ccc(CNc2cnsn2)cc1 76500896 573864036 /nfs/dbraw/zinc/86/40/36/573864036.db2.gz FCHVHVQOGALZFG-UHFFFAOYSA-N 0 0 191.259 2.150 10 0 AEAERN COc1ccc2cc([C@H](C)O)[nH]c2c1 258163916 573864136 /nfs/dbraw/zinc/86/41/36/573864136.db2.gz LZGXTXSFWRCDLZ-ZETCQYMHSA-N 0 0 191.230 2.230 10 0 AEAERN CCCCc1cc[nH]c1 101356833 573867551 /nfs/dbraw/zinc/86/75/51/573867551.db2.gz ATWNFFKGYPYZPJ-UHFFFAOYSA-N 0 0 123.199 2.357 10 0 AEAERN CC(=O)[C@@H]1CCC2=CCC[C@H]21 238162380 573867567 /nfs/dbraw/zinc/86/75/67/573867567.db2.gz FQZZKBPJCDDTDZ-VHSXEESVSA-N 0 0 150.221 2.322 10 0 AEAERN CC(C)(C)[C@@H]1Cn2cccc2C(=O)O1 238162613 573868526 /nfs/dbraw/zinc/86/85/26/573868526.db2.gz NQNKHNUBRJDYRR-VIFPVBQESA-N 0 0 193.246 2.073 10 0 AEAERN Cc1nc(N)cc(C(F)F)c1F 238549311 573868548 /nfs/dbraw/zinc/86/85/48/573868548.db2.gz PMRPKRJVWNTBSB-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN C=C=C(C)[C@@H](O)c1ccccc1O 238163184 573868987 /nfs/dbraw/zinc/86/89/87/573868987.db2.gz YFNFFJNEQTZDJO-LLVKDONJSA-N 0 0 176.215 2.157 10 0 AEAERN Cc1ccc2c(c1)[C@@H]1CC(=O)[C@@H]1C2 238548444 573867475 /nfs/dbraw/zinc/86/74/75/573867475.db2.gz NOAXIUVSHHENSS-WDEREUQCSA-N 0 0 172.227 2.224 10 0 AEAERN CC(=O)[C@H]1CC=C(F)CC1 238162242 573867491 /nfs/dbraw/zinc/86/74/91/573867491.db2.gz DSDJQVOXYXLLQI-ZETCQYMHSA-N 0 0 142.173 2.229 10 0 AEAERN CC(=O)[C@@H]1CCC2=CCC[C@@H]21 238162401 573867501 /nfs/dbraw/zinc/86/75/01/573867501.db2.gz FQZZKBPJCDDTDZ-UWVGGRQHSA-N 0 0 150.221 2.322 10 0 AEAERN O[C@]1(C2CCCC2)CCCSC1 84347358 573867417 /nfs/dbraw/zinc/86/74/17/573867417.db2.gz MZNRCXBCJUJKGC-SNVBAGLBSA-N 0 0 186.320 2.435 10 0 AEAERN Cc1ccccc1COc1cn[nH]c1 258518285 573870468 /nfs/dbraw/zinc/87/04/68/573870468.db2.gz MZJNRIUMKXSSOS-UHFFFAOYSA-N 0 0 188.230 2.297 10 0 AEAERN Cc1[nH]nc2c(C(C)C)ccnc12 238172245 573867652 /nfs/dbraw/zinc/86/76/52/573867652.db2.gz CGZZZCKVMLAMLJ-UHFFFAOYSA-N 0 0 175.235 2.390 10 0 AEAERN Cc1c[nH]c(-c2ccc(Cl)cn2)n1 87286379 573867681 /nfs/dbraw/zinc/86/76/81/573867681.db2.gz PLLDRCYRGYKVQI-UHFFFAOYSA-N 0 0 193.637 2.434 10 0 AEAERN Cc1cccc(C[C@@H]2CCOC2)c1N 257889679 573867734 /nfs/dbraw/zinc/86/77/34/573867734.db2.gz WWYOMLRFOMQIBD-JTQLQIEISA-N 0 0 191.274 2.156 10 0 AEAERN Cc1ccc2oncc2c1F 238540361 573867752 /nfs/dbraw/zinc/86/77/52/573867752.db2.gz GSWDLWGTDCLVEF-UHFFFAOYSA-N 0 0 151.140 2.275 10 0 AEAERN COCN(C)c1c[nH]c2ccccc12 258976987 573867757 /nfs/dbraw/zinc/86/77/57/573867757.db2.gz CDBOWHIMEGNJEZ-UHFFFAOYSA-N 0 0 190.246 2.208 10 0 AEAERN Cc1ccc2c(c1)[C@H]1CC(=O)[C@@H]1C2 238548463 573867759 /nfs/dbraw/zinc/86/77/59/573867759.db2.gz NOAXIUVSHHENSS-GHMZBOCLSA-N 0 0 172.227 2.224 10 0 AEAERN O=C(NC1CCC1)Oc1ccccc1 79744896 573867793 /nfs/dbraw/zinc/86/77/93/573867793.db2.gz VVGUASXLDGPMTH-UHFFFAOYSA-N 0 0 191.230 2.328 10 0 AEAERN CC(C)Oc1cnc(F)c(F)c1 238162683 573867829 /nfs/dbraw/zinc/86/78/29/573867829.db2.gz HKFJFERJVBDWAU-UHFFFAOYSA-N 0 0 173.162 2.147 10 0 AEAERN OC1(C2CCCC2)CCSCC1 84347346 573867871 /nfs/dbraw/zinc/86/78/71/573867871.db2.gz TWHVGHRJDMVFTI-UHFFFAOYSA-N 0 0 186.320 2.435 10 0 AEAERN Cc1cc2c(F)ccc(C)c2c(=O)[nH]1 125311290 573867881 /nfs/dbraw/zinc/86/78/81/573867881.db2.gz VJDAGFOXZNFFPH-UHFFFAOYSA-N 0 0 191.205 2.284 10 0 AEAERN COC(/C=C\c1ccccc1)OC 14652201 573867884 /nfs/dbraw/zinc/86/78/84/573867884.db2.gz MBAOABFNWSOOLU-HJWRWDBZSA-N 0 0 178.231 2.319 10 0 AEAERN CC(C)c1ncc([C@H](C)CO)s1 258439692 573867927 /nfs/dbraw/zinc/86/79/27/573867927.db2.gz GKCYOTABVPPHAD-SSDOTTSWSA-N 0 0 185.292 2.362 10 0 AEAERN Nc1c(F)cccc1C[C@H]1CCCO1 257889595 573867957 /nfs/dbraw/zinc/86/79/57/573867957.db2.gz WUSLIASXGFSVRJ-SECBINFHSA-N 0 0 195.237 2.129 10 0 AEAERN Cc1cncc(C=O)c1C(F)F 238540834 573868092 /nfs/dbraw/zinc/86/80/92/573868092.db2.gz DLSUNFGODBKQIB-UHFFFAOYSA-N 0 0 171.146 2.140 10 0 AEAERN Cc1cc(F)c2c(c1)[C@@H](CO)CC2 238540518 573868118 /nfs/dbraw/zinc/86/81/18/573868118.db2.gz SOPNMZMNGKGPOG-MRVPVSSYSA-N 0 0 180.222 2.156 10 0 AEAERN O=C1CCC[C@H]2CCC=C[C@H]12 101416837 573868125 /nfs/dbraw/zinc/86/81/25/573868125.db2.gz CLVRNJPARFYDBI-BDAKNGLRSA-N 0 0 150.221 2.322 10 0 AEAERN Nc1c(F)cccc1C[C@@H]1CCCO1 257889597 573868137 /nfs/dbraw/zinc/86/81/37/573868137.db2.gz WUSLIASXGFSVRJ-VIFPVBQESA-N 0 0 195.237 2.129 10 0 AEAERN Cc1ccc(-c2cc[nH]c(=S)n2)o1 259048731 573868139 /nfs/dbraw/zinc/86/81/39/573868139.db2.gz IZKGHKHEQJRVLD-UHFFFAOYSA-N 0 0 192.243 2.334 10 0 AEAERN OCCCCC[C@H](O)C1CCCC1 127378947 573868173 /nfs/dbraw/zinc/86/81/73/573868173.db2.gz VKXMDGBPFMCRRM-NSHDSACASA-N 0 0 186.295 2.090 10 0 AEAERN Cc1cc2c(cc1Cl)COC2=O 238541082 573870913 /nfs/dbraw/zinc/87/09/13/573870913.db2.gz OURMNYPZCMQSKS-UHFFFAOYSA-N 0 0 182.606 2.319 10 0 AEAERN CO[C@H]1C[C@@H]1C(=O)c1ccc(C)cc1 689893524 573868386 /nfs/dbraw/zinc/86/83/86/573868386.db2.gz ZBMBEMGSYKWVFJ-QWRGUYRKSA-N 0 0 190.242 2.213 10 0 AEAERN CCOc1c(O)cccc1[C@@H]([NH3+])CC 211625289 573868404 /nfs/dbraw/zinc/86/84/04/573868404.db2.gz ORJRZTBLBCRIHB-VIFPVBQESA-N 0 0 195.262 2.201 10 0 AEAERN Cc1ccc([C@H]2C[C@@H](O)C2)cc1 238548765 573868453 /nfs/dbraw/zinc/86/84/53/573868453.db2.gz XYTUNMGXRHYXKR-XYPYZODXSA-N 0 0 162.232 2.233 10 0 AEAERN Cc1cc(C)c(Cl)c(N)c1N 238540545 573868463 /nfs/dbraw/zinc/86/84/63/573868463.db2.gz HHMFLTLQTHGULP-UHFFFAOYSA-N 0 0 170.643 2.121 10 0 AEAERN CC(C)c1ncc([C@@H](C)CO)s1 258439694 573868560 /nfs/dbraw/zinc/86/85/60/573868560.db2.gz GKCYOTABVPPHAD-ZETCQYMHSA-N 0 0 185.292 2.362 10 0 AEAERN Cc1c[nH]cc(C(F)F)c1=O 238540258 573868572 /nfs/dbraw/zinc/86/85/72/573868572.db2.gz KRSWZGTZNABXET-UHFFFAOYSA-N 0 0 159.135 2.033 10 0 AEAERN CC(C)[C@@H]1C[C@H](C)CCC(=O)O1 238161568 573868594 /nfs/dbraw/zinc/86/85/94/573868594.db2.gz XZERQJDCGAVNJP-BDAKNGLRSA-N 0 0 170.252 2.374 10 0 AEAERN Cc1cc(F)c2[nH]c(C)c(CO)c2c1 238541334 573870944 /nfs/dbraw/zinc/87/09/44/573870944.db2.gz PPDORLVULXPJSO-UHFFFAOYSA-N 0 0 193.221 2.416 10 0 AEAERN CC(C)[C@@H]1O[C@@H]1/C=C/Br 238172225 573868641 /nfs/dbraw/zinc/86/86/41/573868641.db2.gz UJZXUPHNXHNLJG-OHUBKANTSA-N 0 0 191.068 2.318 10 0 AEAERN COc1cccc(/C(=C/CO)CF)c1 238365076 573868679 /nfs/dbraw/zinc/86/86/79/573868679.db2.gz LLUBGZVLYILUTQ-BJMVGYQFSA-N 0 0 196.221 2.040 10 0 AEAERN CC(C)(O)CC[C@@H](O)C1CCCC1 127379442 573868730 /nfs/dbraw/zinc/86/87/30/573868730.db2.gz ZWTOAVDXESVGAC-SNVBAGLBSA-N 0 0 186.295 2.089 10 0 AEAERN CCc1ccc(-c2c[nH]c(=O)[nH]2)cc1 259216843 573868747 /nfs/dbraw/zinc/86/87/47/573868747.db2.gz YZZXEVGMSQVRPM-UHFFFAOYSA-N 0 0 188.230 2.345 10 0 AEAERN CC[C@H]([NH3+])c1nc(-c2ccoc2)c[nH]1 87290926 573868749 /nfs/dbraw/zinc/86/87/49/573868749.db2.gz NEMDNJFNDMVGDR-QMMMGPOBSA-N 0 0 191.234 2.080 10 0 AEAERN CO[C@@](C)(CCO)c1ccccc1F 257889556 573868834 /nfs/dbraw/zinc/86/88/34/573868834.db2.gz UCNLATVNEFJLTK-NSHDSACASA-N 0 0 198.237 2.070 10 0 AEAERN CC(C)(C)c1nc2c(s1)CNC2 84343605 573868847 /nfs/dbraw/zinc/86/88/47/573868847.db2.gz FXAGMULALNSHKF-UHFFFAOYSA-N 0 0 182.292 2.044 10 0 AEAERN CC(C)(CC1CCC([NH3+])CC1)C(=O)[O-] 238163004 573868867 /nfs/dbraw/zinc/86/88/67/573868867.db2.gz UZDNNMCYDLPVEZ-UHFFFAOYSA-N 0 0 199.294 2.005 10 0 AEAERN CC(=O)[C@@H]1CCC=C1Cl 238162520 573868896 /nfs/dbraw/zinc/86/88/96/573868896.db2.gz GGGDXFTYEUKDDE-LURJTMIESA-N 0 0 144.601 2.108 10 0 AEAERN CC(C)C[C@@H]1O[C@@H]([C@@H](C)O)C1(C)C 238163032 573868920 /nfs/dbraw/zinc/86/89/20/573868920.db2.gz AZVYKRCEPPLGTP-UTLUCORTSA-N 0 0 186.295 2.207 10 0 AEAERN CC(C)=C[C@@H](O)[C@@H](O)c1ccccc1 238163043 573869021 /nfs/dbraw/zinc/86/90/21/573869021.db2.gz WBOUTNSONWEYKW-NEPJUHHUSA-N 0 0 192.258 2.047 10 0 AEAERN Cc1cscc1[C@H](C)O 87288274 573869023 /nfs/dbraw/zinc/86/90/23/573869023.db2.gz BPTAAJBOXVKGCU-LURJTMIESA-N 0 0 142.223 2.110 10 0 AEAERN CC(C)[C@@H]1C[C@H](O)[C@@H](C)[C@@H]1C 238162715 573869045 /nfs/dbraw/zinc/86/90/45/573869045.db2.gz OCXDXSYNPZROSW-XKNYDFJKSA-N 0 0 156.269 2.295 10 0 AEAERN CC(C)c1cccc(=O)c(NC#N)c1 238161493 573869076 /nfs/dbraw/zinc/86/90/76/573869076.db2.gz FQTCXLKBARWPBU-UHFFFAOYSA-N 0 0 188.230 2.063 10 0 AEAERN Cc1cccc(C[C@H]2CCOC2)c1N 257889681 573869140 /nfs/dbraw/zinc/86/91/40/573869140.db2.gz WWYOMLRFOMQIBD-SNVBAGLBSA-N 0 0 191.274 2.156 10 0 AEAERN CC(=O)[C@@H]1CCCC=C1Cl 238163010 573869161 /nfs/dbraw/zinc/86/91/61/573869161.db2.gz FPIASTMYKLINBO-ZETCQYMHSA-N 0 0 158.628 2.498 10 0 AEAERN Cc1cscc1[C@@H](C)O 87288273 573869184 /nfs/dbraw/zinc/86/91/84/573869184.db2.gz BPTAAJBOXVKGCU-ZCFIWIBFSA-N 0 0 142.223 2.110 10 0 AEAERN CC(C)(C)[C@@H]1C[C@H]2COC(=O)N[C@@H]2C1 238162305 573869203 /nfs/dbraw/zinc/86/92/03/573869203.db2.gz GIAORLKZPDBIPX-DJLDLDEBSA-N 0 0 197.278 2.167 10 0 AEAERN CC(=O)c1sc(F)cc1F 238162710 573869248 /nfs/dbraw/zinc/86/92/48/573869248.db2.gz VPHPERJTXFRIPR-UHFFFAOYSA-N 0 0 162.160 2.229 10 0 AEAERN S=C1NCc2c(Cl)cccc2O1 215000510 573869249 /nfs/dbraw/zinc/86/92/49/573869249.db2.gz RCYHVHSOZHDUTK-UHFFFAOYSA-N 0 0 199.662 2.107 10 0 AEAERN Cc1c[nH]c(Oc2ccccc2O)n1 257891492 573869293 /nfs/dbraw/zinc/86/92/93/573869293.db2.gz MLTJWEGFFAASSY-UHFFFAOYSA-N 0 0 190.202 2.216 10 0 AEAERN C[C@H]([NH3+])c1nc(-c2ccoc2)cs1 87290571 573869305 /nfs/dbraw/zinc/86/93/05/573869305.db2.gz JXKBGKMQZPAZIE-LURJTMIESA-N 0 0 194.259 2.423 10 0 AEAERN S=C1NCc2cccc(Cl)c2O1 215000378 573869320 /nfs/dbraw/zinc/86/93/20/573869320.db2.gz FNEWQBBLRPKYLF-UHFFFAOYSA-N 0 0 199.662 2.107 10 0 AEAERN CC(C)(C)[C@@H]1CC[C@H]2OC(=O)N[C@@H]2C1 238161498 573869389 /nfs/dbraw/zinc/86/93/89/573869389.db2.gz BJQIJABTHJFPFF-IWSPIJDZSA-N 0 0 197.278 2.310 10 0 AEAERN CC(C)=C[C@@H](O)[C@@H]1CCCCC1=O 238163076 573869432 /nfs/dbraw/zinc/86/94/32/573869432.db2.gz VBRPRRLHELMEHB-MWLCHTKSSA-N 0 0 182.263 2.073 10 0 AEAERN CCCC[C@H](C)[C@H](NN)c1ccc[nH]1 308459123 573869462 /nfs/dbraw/zinc/86/94/62/573869462.db2.gz FSXJAMVCKSDIDT-ONGXEEELSA-N 0 0 195.310 2.345 10 0 AEAERN CC(=O)[C@@H]1O[C@@H]1c1ccc(C)cc1 238172890 573869463 /nfs/dbraw/zinc/86/94/63/573869463.db2.gz JQIGMHRWIQHLKH-WDEREUQCSA-N 0 0 176.215 2.024 10 0 AEAERN C[C@@H](Nc1cn[nH]c1)c1ccoc1 87289743 573869524 /nfs/dbraw/zinc/86/95/24/573869524.db2.gz BFJDKVUCPKFEKI-SSDOTTSWSA-N 0 0 177.207 2.176 10 0 AEAERN Cc1ccc2c(c1)CC[C@@](C)(CO)N2 258166865 573869534 /nfs/dbraw/zinc/86/95/34/573869534.db2.gz MCRCQSAAMNNUHD-LBPRGKRZSA-N 0 0 191.274 2.104 10 0 AEAERN CC(C)NC1=CCCc2cccnc21 238161528 573869565 /nfs/dbraw/zinc/86/95/65/573869565.db2.gz HGASCYYWRLVTRR-UHFFFAOYSA-N 0 0 188.274 2.367 10 0 AEAERN CC(C)CCNc1ccnc(=S)[nH]1 238161662 573869595 /nfs/dbraw/zinc/86/95/95/573869595.db2.gz IBSIXNKOFRKBIP-UHFFFAOYSA-N 0 0 197.307 2.223 10 0 AEAERN CC(C)C[C@@H]1O[C@H]([C@@H](C)O)C1(C)C 238163177 573869608 /nfs/dbraw/zinc/86/96/08/573869608.db2.gz AZVYKRCEPPLGTP-KXUCPTDWSA-N 0 0 186.295 2.207 10 0 AEAERN CCC[C@H](O)c1cc(OC)ncc1F 308458563 573869628 /nfs/dbraw/zinc/86/96/28/573869628.db2.gz DZNIOAVSLPFXRW-VIFPVBQESA-N 0 0 199.225 2.063 10 0 AEAERN C[C@@H]1CCCC[C@]1(O)CCCCO 393567350 573870977 /nfs/dbraw/zinc/87/09/77/573870977.db2.gz NRVQGQMIRHBSFQ-MNOVXSKESA-N 0 0 186.295 2.090 10 0 AEAERN CO[C@H]1C[C@H]1C(=O)c1ccc(C)cc1 689893520 573869633 /nfs/dbraw/zinc/86/96/33/573869633.db2.gz ZBMBEMGSYKWVFJ-MNOVXSKESA-N 0 0 190.242 2.213 10 0 AEAERN Cc1cc2c(cc1O)C(C)(C)OC2=O 238540893 573869645 /nfs/dbraw/zinc/86/96/45/573869645.db2.gz ZRSGOCBPARVCAT-UHFFFAOYSA-N 0 0 192.214 2.106 10 0 AEAERN CCC[C@@H](O)c1cc(OC)ncc1F 308458561 573869648 /nfs/dbraw/zinc/86/96/48/573869648.db2.gz DZNIOAVSLPFXRW-SECBINFHSA-N 0 0 199.225 2.063 10 0 AEAERN CC(C)=C[C@@H](O)Cc1ccco1 238162964 573869700 /nfs/dbraw/zinc/86/97/00/573869700.db2.gz UBYDCDZSVZZSAK-SECBINFHSA-N 0 0 166.220 2.149 10 0 AEAERN CCSCCOc1cccnc1 131449434 573869744 /nfs/dbraw/zinc/86/97/44/573869744.db2.gz PRMLVMSZJPRNJS-UHFFFAOYSA-N 0 0 183.276 2.214 10 0 AEAERN COCc1cc2cccc(O)c2[nH]1 257891293 573869810 /nfs/dbraw/zinc/86/98/10/573869810.db2.gz MGKQVCCDNNJEGT-UHFFFAOYSA-N 0 0 177.203 2.020 10 0 AEAERN COc1cc(C)c2[nH]ccc2c1OC 257889654 573869819 /nfs/dbraw/zinc/86/98/19/573869819.db2.gz WWAWYHYHKSAXAG-UHFFFAOYSA-N 0 0 191.230 2.494 10 0 AEAERN C[C@@H](CCO)CCC(=O)C(C)(C)C 238366692 573869841 /nfs/dbraw/zinc/86/98/41/573869841.db2.gz HDWGTCOQLWEMAL-SECBINFHSA-N 0 0 186.295 2.400 10 0 AEAERN Cc1cn([C@@H]2C=CCCC2)cn1 238550026 573869881 /nfs/dbraw/zinc/86/98/81/573869881.db2.gz ZDETUIHUSIMRIQ-SNVBAGLBSA-N 0 0 162.236 2.473 10 0 AEAERN CC(=O)[C@@H]1CCC2=C1CCC2 238162321 573869908 /nfs/dbraw/zinc/86/99/08/573869908.db2.gz SQKDBQBXQZONQD-VIFPVBQESA-N 0 0 150.221 2.466 10 0 AEAERN CC(C)Oc1cnc(Cl)c(C=O)c1 238162605 573869928 /nfs/dbraw/zinc/86/99/28/573869928.db2.gz SIBLQOWQDHRNML-UHFFFAOYSA-N 0 0 199.637 2.335 10 0 AEAERN Cc1ccc2c(c1)CC[C@](C)(CO)N2 258166861 573869948 /nfs/dbraw/zinc/86/99/48/573869948.db2.gz MCRCQSAAMNNUHD-GFCCVEGCSA-N 0 0 191.274 2.104 10 0 AEAERN Cc1ccc2sc(CO)nc2c1C 238541153 573869951 /nfs/dbraw/zinc/86/99/51/573869951.db2.gz MCQIGCMPJNAINA-UHFFFAOYSA-N 0 0 193.271 2.405 10 0 AEAERN Cc1ccc(N)c([C@@H](O)C2CCC2)c1 257891608 573869959 /nfs/dbraw/zinc/86/99/59/573869959.db2.gz XDEBMBAKJYOIMD-LBPRGKRZSA-N 0 0 191.274 2.411 10 0 AEAERN C[C@](O)(c1ccoc1)C(F)(F)F 87290942 573869981 /nfs/dbraw/zinc/86/99/81/573869981.db2.gz ONKUCACDXLHVOF-LURJTMIESA-N 0 0 180.125 2.049 10 0 AEAERN CC(=O)[C@H]1CC(C)=CC[C@H]1C(C)=O 238161448 573870020 /nfs/dbraw/zinc/87/00/20/573870020.db2.gz GXFFDRSCESRQGN-WDEREUQCSA-N 0 0 180.247 2.137 10 0 AEAERN COCNc1c(C)cc(C)cc1OC 258979598 573870028 /nfs/dbraw/zinc/87/00/28/573870028.db2.gz CIAZQAPUGKQFRZ-UHFFFAOYSA-N 0 0 195.262 2.328 10 0 AEAERN Cc1cc(O)c2c(c1)cc(C=O)n2C 257889589 573870056 /nfs/dbraw/zinc/87/00/56/573870056.db2.gz WUPRIBFFKCLLDQ-UHFFFAOYSA-N 0 0 189.214 2.005 10 0 AEAERN CC(=O)c1cccc(C(C)(C)CO)c1 257889655 573870127 /nfs/dbraw/zinc/87/01/27/573870127.db2.gz WWBYJEBESVZUEF-UHFFFAOYSA-N 0 0 192.258 2.159 10 0 AEAERN C=CC1=CC[C@H](C(C)=O)CC1 238162128 573870134 /nfs/dbraw/zinc/87/01/34/573870134.db2.gz NENHRRSBQXXWFQ-JTQLQIEISA-N 0 0 150.221 2.488 10 0 AEAERN CCCC[C@@H](C)[C@@H](NN)c1ccc[nH]1 308459122 573870151 /nfs/dbraw/zinc/87/01/51/573870151.db2.gz FSXJAMVCKSDIDT-MWLCHTKSSA-N 0 0 195.310 2.345 10 0 AEAERN Cc1cc(C)c2[nH]ccc2n1 45787059 573870992 /nfs/dbraw/zinc/87/09/92/573870992.db2.gz HDVAPNIXFAQFHW-UHFFFAOYSA-N 0 0 146.193 2.180 10 0 AEAERN Cc1nc(N)ccc1OC1CCCC1 238550587 573870208 /nfs/dbraw/zinc/87/02/08/573870208.db2.gz QLGSLIOJSWXYBD-UHFFFAOYSA-N 0 0 192.262 2.294 10 0 AEAERN CC(=O)[C@@H]1CCCCCC(=O)C1 238163125 573870239 /nfs/dbraw/zinc/87/02/39/573870239.db2.gz NQLAASZVSKFTQL-SECBINFHSA-N 0 0 168.236 2.115 10 0 AEAERN S=C1NCc2ccc(Cl)cc2O1 215000239 573870281 /nfs/dbraw/zinc/87/02/81/573870281.db2.gz SDVMJZFYPMSSKR-UHFFFAOYSA-N 0 0 199.662 2.107 10 0 AEAERN CC[C@@]1(C)C[NH2+]C[C@H](c2ccoc2)O1 87290838 573870331 /nfs/dbraw/zinc/87/03/31/573870331.db2.gz OQXOPEFPWXYSPF-MNOVXSKESA-N 0 0 195.262 2.109 10 0 AEAERN C[C@@H]([NH3+])c1nc(-c2ccoc2)cs1 87290572 573870382 /nfs/dbraw/zinc/87/03/82/573870382.db2.gz JXKBGKMQZPAZIE-ZCFIWIBFSA-N 0 0 194.259 2.423 10 0 AEAERN Cc1cc(C(C)(C)C)[nH]c(=S)n1 259216644 573870412 /nfs/dbraw/zinc/87/04/12/573870412.db2.gz XQXOAGKIZINIQH-UHFFFAOYSA-N 0 0 182.292 2.371 10 0 AEAERN Cc1ccc(N)c([C@H](O)C2CCC2)c1 257891605 573870486 /nfs/dbraw/zinc/87/04/86/573870486.db2.gz XDEBMBAKJYOIMD-GFCCVEGCSA-N 0 0 191.274 2.411 10 0 AEAERN CC(C)=C[C@@H](O)C1=CCCCO1 238162535 573870526 /nfs/dbraw/zinc/87/05/26/573870526.db2.gz JPMLQCBCJZKHFG-SECBINFHSA-N 0 0 168.236 2.008 10 0 AEAERN CC(C)c1ccc(C2(O)COC2)cc1 84352604 573870533 /nfs/dbraw/zinc/87/05/33/573870533.db2.gz CUSOASWZMWPTBA-UHFFFAOYSA-N 0 0 192.258 2.028 10 0 AEAERN CNc1ncc(C(C)(C)C)o1 259216649 573870537 /nfs/dbraw/zinc/87/05/37/573870537.db2.gz REAPMMFGMAUTQW-UHFFFAOYSA-N 0 0 154.213 2.014 10 0 AEAERN C[C@H](Nc1cn[nH]c1)c1ccoc1 87289742 573870551 /nfs/dbraw/zinc/87/05/51/573870551.db2.gz BFJDKVUCPKFEKI-ZETCQYMHSA-N 0 0 177.207 2.176 10 0 AEAERN CC[C@@H](O)CC[C@H](O)C1CCCC1 127384570 573870562 /nfs/dbraw/zinc/87/05/62/573870562.db2.gz BEOKNMHJKLOMKA-MNOVXSKESA-N 0 0 186.295 2.089 10 0 AEAERN COC(=O)C(C)(C)Cc1cccs1 259215146 573870567 /nfs/dbraw/zinc/87/05/67/573870567.db2.gz TVAFUIVOROQMEP-UHFFFAOYSA-N 0 0 198.287 2.490 10 0 AEAERN O=C1CC[C@@H]2CCCC[C@H]2[C@@H]1F 238550728 573870602 /nfs/dbraw/zinc/87/06/02/573870602.db2.gz CUFWDEYYVAJJCW-XKSSXDPKSA-N 0 0 170.227 2.494 10 0 AEAERN F[C@H]1Cc2ccccc2CO1 238550396 573870636 /nfs/dbraw/zinc/87/06/36/573870636.db2.gz VFONGVSPFJYOMG-SECBINFHSA-N 0 0 152.168 2.055 10 0 AEAERN C[C@@H]1CCCC[C@@]1(O)CCCCO 393567349 573870671 /nfs/dbraw/zinc/87/06/71/573870671.db2.gz NRVQGQMIRHBSFQ-GHMZBOCLSA-N 0 0 186.295 2.090 10 0 AEAERN Cc1ccc([C@H]2[C@H](CO)C2(F)F)cc1 238550390 573870679 /nfs/dbraw/zinc/87/06/79/573870679.db2.gz BHWWMHHLHZOMDW-UWVGGRQHSA-N 0 0 198.212 2.336 10 0 AEAERN Cc1oc(CO)c2ccccc12 213786274 573870695 /nfs/dbraw/zinc/87/06/95/573870695.db2.gz WXZFWHMDKHZPDN-UHFFFAOYSA-N 0 0 162.188 2.234 10 0 AEAERN CC(C)c1[nH]nc2c(N)cccc12 257889386 573870738 /nfs/dbraw/zinc/87/07/38/573870738.db2.gz NEWSGPYFYMKRGB-UHFFFAOYSA-N 0 0 175.235 2.269 10 0 AEAERN OCC[C@H]1Cc2c(Cl)cccc2O1 258169604 573870748 /nfs/dbraw/zinc/87/07/48/573870748.db2.gz MFQYOAHTKSJTCP-ZETCQYMHSA-N 0 0 198.649 2.026 10 0 AEAERN COC[C@H]1CCc2cc(N)ccc2C1 257889585 573870770 /nfs/dbraw/zinc/87/07/70/573870770.db2.gz WUNMPXZEYSXEIB-VIFPVBQESA-N 0 0 191.274 2.020 10 0 AEAERN Cc1cscc1-c1nccc(N)n1 87288999 573871005 /nfs/dbraw/zinc/87/10/05/573871005.db2.gz IUEGRJBUXJZUEC-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1coc2cnc(Cl)nc12 238550713 573872104 /nfs/dbraw/zinc/87/21/04/573872104.db2.gz VXPCTXXYXQPQOB-UHFFFAOYSA-N 0 0 168.583 2.185 10 0 AEAERN CC(C)c1cccc(NC(=O)NO)c1 238163196 573872107 /nfs/dbraw/zinc/87/21/07/573872107.db2.gz RAMFXERGQJLXEZ-UHFFFAOYSA-N 0 0 194.234 2.321 10 0 AEAERN C[C@@H](Nc1cnn(C)c1)c1ccoc1 87289737 573872125 /nfs/dbraw/zinc/87/21/25/573872125.db2.gz ABWRNYKCZFGQQH-MRVPVSSYSA-N 0 0 191.234 2.186 10 0 AEAERN CC[C@]1(C)CO[C@@H](c2ccoc2)C[NH2+]1 87290829 573871885 /nfs/dbraw/zinc/87/18/85/573871885.db2.gz DMEILTDGZPHOJA-GHMZBOCLSA-N 0 0 195.262 2.109 10 0 AEAERN CNc1nc(-c2cscc2C)no1 87289049 573871965 /nfs/dbraw/zinc/87/19/65/573871965.db2.gz QLAJSLPFEAWGGS-UHFFFAOYSA-N 0 0 195.247 2.148 10 0 AEAERN CC(C)(C)[C@@]1(C)CCC[C@@H](O)O1 238165089 573872081 /nfs/dbraw/zinc/87/20/81/573872081.db2.gz JKHUUGCGRDUHAR-WCBMZHEXSA-N 0 0 172.268 2.310 10 0 AEAERN C[C@H]1CCCC[C@@]1(O)CCCCO 393567351 573872039 /nfs/dbraw/zinc/87/20/39/573872039.db2.gz NRVQGQMIRHBSFQ-WDEREUQCSA-N 0 0 186.295 2.090 10 0 AEAERN Cc1csc(=S)c(C)c1O 238552926 573882033 /nfs/dbraw/zinc/88/20/33/573882033.db2.gz XTAWBPBJRUNDBA-UHFFFAOYSA-N 0 0 172.274 2.014 10 0 AEAERN Cc1nc(N)ncc1SCC(C)C 238163797 573873096 /nfs/dbraw/zinc/87/30/96/573873096.db2.gz SJRNEBIJZDSXIQ-UHFFFAOYSA-N 0 0 197.307 2.115 10 0 AEAERN C[C@@H](Nn1cccc1)c1ccoc1 87290494 573873120 /nfs/dbraw/zinc/87/31/20/573873120.db2.gz WZSMNGLFCNRUCO-SECBINFHSA-N 0 0 176.219 2.386 10 0 AEAERN Cc1coc2c(C)nc(C=O)cc12 238549971 573873128 /nfs/dbraw/zinc/87/31/28/573873128.db2.gz VBGWQKZKERFDHQ-UHFFFAOYSA-N 0 0 175.187 2.257 10 0 AEAERN O=Cc1c(F)ncc(C(F)F)c1F 238550083 573873167 /nfs/dbraw/zinc/87/31/67/573873167.db2.gz PSUNAYJGTFNDKF-UHFFFAOYSA-N 0 0 193.099 2.110 10 0 AEAERN O=Cc1c[nH]c2ncc(F)c(Cl)c12 238550554 573873175 /nfs/dbraw/zinc/87/31/75/573873175.db2.gz WOZUNSQPQCKSOI-UHFFFAOYSA-N 0 0 198.584 2.168 10 0 AEAERN FC(F)c1ncn2ccccc12 258441103 573873214 /nfs/dbraw/zinc/87/32/14/573873214.db2.gz FCEXHOCQLHQSEZ-UHFFFAOYSA-N 0 0 168.146 2.272 10 0 AEAERN C[C@@H]1CCNc2cc(O)ccc21 80031479 573873222 /nfs/dbraw/zinc/87/32/22/573873222.db2.gz MFHHEEFFUHSAPV-SSDOTTSWSA-N 0 0 163.220 2.311 10 0 AEAERN CC(=O)[C@@]1(C)C[C@H]1C(C)C 238163332 573873296 /nfs/dbraw/zinc/87/32/96/573873296.db2.gz MQHKUFRHGCKNMS-DTWKUNHWSA-N 0 0 140.226 2.258 10 0 AEAERN c1cn2nc(C3CCCC3)ccc2n1 258980624 573873378 /nfs/dbraw/zinc/87/33/78/573873378.db2.gz DYQGGBVRKUBKPK-UHFFFAOYSA-N 0 0 187.246 2.387 10 0 AEAERN FC(F)(F)Oc1ncncc1Cl 238550376 573873453 /nfs/dbraw/zinc/87/34/53/573873453.db2.gz OYDOBRQOEOMKJE-UHFFFAOYSA-N 0 0 198.531 2.029 10 0 AEAERN CC[C@@]1(C)C[NH2+]C[C@@H](c2ccoc2)O1 87290840 573873456 /nfs/dbraw/zinc/87/34/56/573873456.db2.gz OQXOPEFPWXYSPF-QWRGUYRKSA-N 0 0 195.262 2.109 10 0 AEAERN Cc1cscc1-c1ncc[nH]1 87288924 573873484 /nfs/dbraw/zinc/87/34/84/573873484.db2.gz ZHHSGEDWQUKZAE-UHFFFAOYSA-N 0 0 164.233 2.447 10 0 AEAERN CC(C)=C[C@@H]1CC(=O)NC(C)(C)C1 238163942 573873488 /nfs/dbraw/zinc/87/34/88/573873488.db2.gz VJQYLOVERZIEJI-SECBINFHSA-N 0 0 181.279 2.257 10 0 AEAERN Cc1cc(N)c(OC(C)C)nc1C 238164294 573873542 /nfs/dbraw/zinc/87/35/42/573873542.db2.gz HJCXJYUMWHOBBA-UHFFFAOYSA-N 0 0 180.251 2.068 10 0 AEAERN Cc1cc2c(cc1Cl)CCOC2=O 238540946 573873572 /nfs/dbraw/zinc/87/35/72/573873572.db2.gz ROHDGXFKIDKERG-UHFFFAOYSA-N 0 0 196.633 2.361 10 0 AEAERN CC[C@]1(C)C[NH2+]C[C@H](c2ccoc2)O1 87290837 573873579 /nfs/dbraw/zinc/87/35/79/573873579.db2.gz OQXOPEFPWXYSPF-GHMZBOCLSA-N 0 0 195.262 2.109 10 0 AEAERN Cc1cc(F)ccc1-c1nc(O)c[nH]1 235754293 573873583 /nfs/dbraw/zinc/87/35/83/573873583.db2.gz QWVXOTPOJGGLOI-UHFFFAOYSA-N 0 0 192.193 2.230 10 0 AEAERN Clc1cnc(-c2ccncc2)o1 258441527 573873664 /nfs/dbraw/zinc/87/36/64/573873664.db2.gz FKQCPKSIPLZDHF-UHFFFAOYSA-N 0 0 180.594 2.390 10 0 AEAERN CC(C)Oc1cnccc1F 238163850 573873704 /nfs/dbraw/zinc/87/37/04/573873704.db2.gz MBBROMOQTCOXRD-UHFFFAOYSA-N 0 0 155.172 2.008 10 0 AEAERN CNOCCCc1ccccc1C 257889806 573873713 /nfs/dbraw/zinc/87/37/13/573873713.db2.gz GNXLZEMBGBUHOJ-UHFFFAOYSA-N 0 0 179.263 2.079 10 0 AEAERN CC(=O)c1cc(CC(C)(C)C)nn1C 259216903 573874731 /nfs/dbraw/zinc/87/47/31/573874731.db2.gz LPHIMMMIHZJSNB-UHFFFAOYSA-N 0 0 194.278 2.211 10 0 AEAERN CC(C)Oc1cnc2ccccn12 238163407 573874775 /nfs/dbraw/zinc/87/47/75/573874775.db2.gz MBDFYHYNPWEXOB-UHFFFAOYSA-N 0 0 176.219 2.122 10 0 AEAERN C[C@H](O)c1nc(-c2ccoc2)cs1 87307631 573874786 /nfs/dbraw/zinc/87/47/86/573874786.db2.gz DYEJUVCABJGLRQ-LURJTMIESA-N 0 0 195.243 2.456 10 0 AEAERN CC(C)Oc1cccc2c1OCCO2 238176252 573877071 /nfs/dbraw/zinc/87/70/71/573877071.db2.gz VFCARBHVOJQANJ-UHFFFAOYSA-N 0 0 194.230 2.245 10 0 AEAERN C/C=C/[C@@H](CO)CCCC 80133461 573877080 /nfs/dbraw/zinc/87/70/80/573877080.db2.gz WHGFGAJLCXBAGJ-OTQAPUNGSA-N 0 0 142.242 2.361 10 0 AEAERN O=c1cc[nH]n1-c1ccc(Cl)cc1 101686752 573877100 /nfs/dbraw/zinc/87/71/00/573877100.db2.gz ROAIPGUEIFAWDE-UHFFFAOYSA-N 0 0 194.621 2.231 10 0 AEAERN Clc1cc(-c2cn[nH]c2)ccn1 238552146 573877101 /nfs/dbraw/zinc/87/71/01/573877101.db2.gz KVUSTXMYJYHUPO-UHFFFAOYSA-N 0 0 179.610 2.125 10 0 AEAERN CC(C)(C)[C@H]([NH3+])c1ccccc1CO 238175914 573877117 /nfs/dbraw/zinc/87/71/17/573877117.db2.gz JMOSEPICQBPXHM-LLVKDONJSA-N 0 0 193.290 2.225 10 0 AEAERN C[C@H]1SCc2ccccc2[C@@H]1O 125347935 573876479 /nfs/dbraw/zinc/87/64/79/573876479.db2.gz LILFFXTVHVTFMK-GMSGAONNSA-N 0 0 180.272 2.355 10 0 AEAERN O[C@H]1COC[C@@H]1CCC1CCCCC1 687966905 573876490 /nfs/dbraw/zinc/87/64/90/573876490.db2.gz OIOQQAGWBHZNKA-RYUDHWBXSA-N 0 0 198.306 2.354 10 0 AEAERN Fc1cccc(-n2nncc2Cl)c1 258170025 573876524 /nfs/dbraw/zinc/87/65/24/573876524.db2.gz UHPQTLRUVSOCQR-UHFFFAOYSA-N 0 0 197.600 2.060 10 0 AEAERN S=c1[nH]cnc2c1CCCCC2 87311641 573877142 /nfs/dbraw/zinc/87/71/42/573877142.db2.gz PJTUZNVMQZXMSB-UHFFFAOYSA-N 0 0 180.276 2.408 10 0 AEAERN COc1ccc(F)cc1/C=C\[C@@H](C)O 308460245 573876549 /nfs/dbraw/zinc/87/65/49/573876549.db2.gz ZUUUBFLYEHRVNJ-TUUFMJSCSA-N 0 0 196.221 2.228 10 0 AEAERN C[C@H]1c2ccc(F)cc2CC[C@H]1O 259218042 573876552 /nfs/dbraw/zinc/87/65/52/573876552.db2.gz JSOKZCFHMPEQCX-WRWORJQWSA-N 0 0 180.222 2.236 10 0 AEAERN Cc1ncc(CC(C)C)cc1C(=O)[O-] 238176246 573876571 /nfs/dbraw/zinc/87/65/71/573876571.db2.gz LJZBUTONMNCHDB-UHFFFAOYSA-N 0 0 193.246 2.287 10 0 AEAERN C[C@H]1SCc2ccc(F)cc2[C@@H]1O 125350693 573876590 /nfs/dbraw/zinc/87/65/90/573876590.db2.gz YBUPZONVODOQDH-LHLIQPBNSA-N 0 0 198.262 2.494 10 0 AEAERN CCC[C@@H](C)[C@H](O)c1cnn(C)c1C 233282405 573876592 /nfs/dbraw/zinc/87/65/92/573876592.db2.gz TWGZOJMEQDFVKG-KCJUWKMLSA-N 0 0 196.294 2.198 10 0 AEAERN CC(C)[C@@H]1[C@H](C)C[C@@H](O)[C@@H]1C 238176713 573876648 /nfs/dbraw/zinc/87/66/48/573876648.db2.gz IKKSXBWDNXJFQC-UTINFBMNSA-N 0 0 156.269 2.295 10 0 AEAERN CC(C)Cc1cccccc1=O 238175758 573876664 /nfs/dbraw/zinc/87/66/64/573876664.db2.gz YDRGYCGBCVEGMF-UHFFFAOYSA-N 0 0 162.232 2.245 10 0 AEAERN FC(F)(F)[C@@H]1NCc2ccccc21 238555897 573876666 /nfs/dbraw/zinc/87/66/66/573876666.db2.gz MGLWFEGKCVYCKR-MRVPVSSYSA-N 0 0 187.164 2.393 10 0 AEAERN CC/C=C\c1nnc(CC)o1 393595422 573876676 /nfs/dbraw/zinc/87/66/76/573876676.db2.gz XWIDXEFNKWNHKF-WAYWQWQTSA-N 0 0 152.197 2.055 10 0 AEAERN CC/C=C\C(=O)NCC1(CC)CC1 308460314 573876715 /nfs/dbraw/zinc/87/67/15/573876715.db2.gz HDZAOUYCKHRMCA-WAYWQWQTSA-N 0 0 181.279 2.259 10 0 AEAERN CC(C)[C@H]1C(=O)CC[C@H]1C 238176683 573876748 /nfs/dbraw/zinc/87/67/48/573876748.db2.gz DIPHNTQKWNMMPU-VXNVDRBHSA-N 0 0 140.226 2.258 10 0 AEAERN O[C@H]1COC[C@H]1CCC1CCCCC1 687966900 573876750 /nfs/dbraw/zinc/87/67/50/573876750.db2.gz OIOQQAGWBHZNKA-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN C[C@@H](O)Cc1cnc(C2CCCC2)o1 257895074 573876770 /nfs/dbraw/zinc/87/67/70/573876770.db2.gz BIGCYQVXKXXQJU-MRVPVSSYSA-N 0 0 195.262 2.256 10 0 AEAERN CCC[C@H](C)[C@@H](C)OC(C)=O 223622134 573876790 /nfs/dbraw/zinc/87/67/90/573876790.db2.gz MGQOAYCKSOWYMX-JGVFFNPUSA-N 0 0 158.241 2.374 10 0 AEAERN O=Cc1nc(-c2ccoc2)cs1 87307595 573876888 /nfs/dbraw/zinc/87/68/88/573876888.db2.gz LBFOZCMGFOXOJW-UHFFFAOYSA-N 0 0 179.200 2.216 10 0 AEAERN Clc1cc(-c2ccco2)[nH]n1 238551777 573876921 /nfs/dbraw/zinc/87/69/21/573876921.db2.gz NDBQZNOFXINFFH-UHFFFAOYSA-N 0 0 168.583 2.323 10 0 AEAERN Cc1conc1-c1ccccc1O 238551344 573876960 /nfs/dbraw/zinc/87/69/60/573876960.db2.gz XKIKXCBQQTVWFJ-UHFFFAOYSA-N 0 0 175.187 2.356 10 0 AEAERN CC(C)C[C@]1(C)OCC(=O)[C@H]1C 238165577 573876962 /nfs/dbraw/zinc/87/69/62/573876962.db2.gz MGRLNSLJZOBHNW-SCZZXKLOSA-N 0 0 170.252 2.027 10 0 AEAERN O[C@@H]1COC[C@H]1CCC1CCCCC1 687966907 573876971 /nfs/dbraw/zinc/87/69/71/573876971.db2.gz OIOQQAGWBHZNKA-VXGBXAGGSA-N 0 0 198.306 2.354 10 0 AEAERN Cc1noc(N[C@H]2CCC[C@H](C)C2)n1 235663131 573876995 /nfs/dbraw/zinc/87/69/95/573876995.db2.gz VNDDFOPRGLFCLK-CBAPKCEASA-N 0 0 195.266 2.369 10 0 AEAERN CC(C)=C[C@@H]1[C@@H](CC(N)=O)C1(C)C 238165652 573877020 /nfs/dbraw/zinc/87/70/20/573877020.db2.gz XBSMUTHVXXYKRE-RKDXNWHRSA-N 0 0 181.279 2.100 10 0 AEAERN CCNc1cc(-c2ccoc2)[nH]n1 87307606 573877157 /nfs/dbraw/zinc/87/71/57/573877157.db2.gz ZMEQKXGXPUYSMQ-UHFFFAOYSA-N 0 0 177.207 2.102 10 0 AEAERN CC(C)(CO)c1cccc2cnoc12 258170991 573878913 /nfs/dbraw/zinc/87/89/13/573878913.db2.gz VTFPYVMLQZXADA-UHFFFAOYSA-N 0 0 191.230 2.098 10 0 AEAERN Clc1ccnc(Nc2ncco2)c1 238554064 573879133 /nfs/dbraw/zinc/87/91/33/573879133.db2.gz ILLVTWRKQYUTDY-UHFFFAOYSA-N 0 0 195.609 2.467 10 0 AEAERN COc1cc(C)cc(C=O)c1Cl 257892458 573880323 /nfs/dbraw/zinc/88/03/23/573880323.db2.gz NOGLFEJPMDBNIX-UHFFFAOYSA-N 0 0 184.622 2.470 10 0 AEAERN Nc1coc(Oc2cccc(F)c2)n1 257892592 573879113 /nfs/dbraw/zinc/87/91/13/573879113.db2.gz MNLWRGSXGNIHQW-UHFFFAOYSA-N 0 0 194.165 2.188 10 0 AEAERN CC(C)Nc1cc(-c2ccoc2)[nH]n1 87307609 573878809 /nfs/dbraw/zinc/87/88/09/573878809.db2.gz YVZMZIADHZMNLG-UHFFFAOYSA-N 0 0 191.234 2.490 10 0 AEAERN CC(C)Cc1cnc(C(C)C)c(=O)[nH]1 238176182 573878833 /nfs/dbraw/zinc/87/88/33/573878833.db2.gz WLZSJRZITZLEPW-UHFFFAOYSA-N 0 0 194.278 2.092 10 0 AEAERN CC(=O)[C@@H]1CCc2occ(C)c2C1 238175770 573878883 /nfs/dbraw/zinc/87/88/83/573878883.db2.gz HGQIDVGDEJUJRH-SECBINFHSA-N 0 0 178.231 2.282 10 0 AEAERN CC(C)OC(=O)Nc1ccco1 238176114 573878887 /nfs/dbraw/zinc/87/88/87/573878887.db2.gz WXRJNJWUFREFQG-UHFFFAOYSA-N 0 0 169.180 2.237 10 0 AEAERN Cc1ccc(Cl)c(C)c1CON 258171188 573878903 /nfs/dbraw/zinc/87/89/03/573878903.db2.gz VXCRAJULNNHJJW-UHFFFAOYSA-N 0 0 185.654 2.347 10 0 AEAERN c1coc(-n2cnc3cccnc32)c1 258982439 573878908 /nfs/dbraw/zinc/87/89/08/573878908.db2.gz YTMYCHBCXYKTJP-UHFFFAOYSA-N 0 0 185.186 2.014 10 0 AEAERN CC1(C)CC(=O)C(C)(C)C(=O)C1 238176302 573878932 /nfs/dbraw/zinc/87/89/32/573878932.db2.gz GRKLBNZOPRFZRC-UHFFFAOYSA-N 0 0 168.236 2.454 10 0 AEAERN Fc1ccc(NCc2cnco2)cc1 84413304 573878971 /nfs/dbraw/zinc/87/89/71/573878971.db2.gz QEERLRAYBQGGMQ-UHFFFAOYSA-N 0 0 192.193 2.426 10 0 AEAERN C[C@H](O)c1cscc1Cl 222424593 573881648 /nfs/dbraw/zinc/88/16/48/573881648.db2.gz RZUJVNCZZHKGCV-BYPYZUCNSA-N 0 0 162.641 2.455 10 0 AEAERN C[C@@H]1CC(=O)C[C@H](C(C)(C)C)O1 259218322 573879964 /nfs/dbraw/zinc/87/99/64/573879964.db2.gz AOPVDFYDDKCIDY-VXNVDRBHSA-N 0 0 170.252 2.169 10 0 AEAERN C[C@@H](F)Cc1ccccc1CCO 258171101 573879965 /nfs/dbraw/zinc/87/99/65/573879965.db2.gz VVGPKMUQYDKZEE-SECBINFHSA-N 0 0 182.238 2.122 10 0 AEAERN O=C1CCCN(C[C@@H]2CC=CCC2)C1 402119130 573879984 /nfs/dbraw/zinc/87/99/84/573879984.db2.gz DDWWWVWKNXMEPT-LLVKDONJSA-N 0 0 193.290 2.008 10 0 AEAERN CCc1nc(C2(C)CCCC2)n[nH]1 87317336 573880318 /nfs/dbraw/zinc/88/03/18/573880318.db2.gz PEOOWFZVYTZZHI-UHFFFAOYSA-N 0 0 179.267 2.199 10 0 AEAERN O=c1ccccn1C[C@@H]1CC=CCC1 402116298 573880052 /nfs/dbraw/zinc/88/00/52/573880052.db2.gz AKTXKUQORGAOFO-LLVKDONJSA-N 0 0 189.258 2.205 10 0 AEAERN COCOc1cc(C)ccc1C 87335184 573880352 /nfs/dbraw/zinc/88/03/52/573880352.db2.gz JQRALDQLWXBLAF-UHFFFAOYSA-N 0 0 166.220 2.286 10 0 AEAERN Cc1ccc([C@]2(O)C[C@@H]2C)c(F)c1 87333179 573880180 /nfs/dbraw/zinc/88/01/80/573880180.db2.gz GYYNMAADKPARQJ-KWQFWETISA-N 0 0 180.222 2.362 10 0 AEAERN CC(=O)C(F)(F)C[C@@H]1CCCCO1 257891873 573880194 /nfs/dbraw/zinc/88/01/94/573880194.db2.gz XHJKCZZOLWAJTD-QMMMGPOBSA-N 0 0 192.205 2.170 10 0 AEAERN CC[C@@H]1C[C@@H](O)CC[C@@H]1C 76575647 573880253 /nfs/dbraw/zinc/88/02/53/573880253.db2.gz SOUITUXPBGREAE-YIZRAAEISA-N 0 0 142.242 2.194 10 0 AEAERN CC(C)[C@@H]1C2CCC(CC2)[C@@H]1C(N)=O 238178171 573881178 /nfs/dbraw/zinc/88/11/78/573881178.db2.gz VRPUEXQBTJSJEJ-LXKPXOPUSA-N 0 0 195.306 2.180 10 0 AEAERN Cc1csc2c1C(=S)NCCC2 238553690 573881180 /nfs/dbraw/zinc/88/11/80/573881180.db2.gz SVFLTZGPLPYDEE-UHFFFAOYSA-N 0 0 197.328 2.268 10 0 AEAERN CC1=C[C@@H](c2ccccc2)CC(=O)N1 238177546 573881314 /nfs/dbraw/zinc/88/13/14/573881314.db2.gz GTERZLRYZMPDES-LLVKDONJSA-N 0 0 187.242 2.194 10 0 AEAERN C[C@@]1(F)CCN(c2cccc(O)c2)C1 258170107 573881425 /nfs/dbraw/zinc/88/14/25/573881425.db2.gz UIKZOFMNDJTDRB-LLVKDONJSA-N 0 0 195.237 2.331 10 0 AEAERN Cc1ccc(-c2cc(N)no2)c(F)c1 87333323 573881555 /nfs/dbraw/zinc/88/15/55/573881555.db2.gz KSXRZBZKMILZFJ-UHFFFAOYSA-N 0 0 192.193 2.371 10 0 AEAERN CC(=O)CCNc1cccs1 258982345 573881671 /nfs/dbraw/zinc/88/16/71/573881671.db2.gz WPZCWBTUJUOJLB-UHFFFAOYSA-N 0 0 169.249 2.139 10 0 AEAERN Cc1c[nH]c(C)c1C(=O)C(F)(F)F 45787454 573881560 /nfs/dbraw/zinc/88/15/60/573881560.db2.gz LIZHCUCYKVWNDY-UHFFFAOYSA-N 0 0 191.152 2.377 10 0 AEAERN Cc1csc2c1[C@H](O)CC2 238553799 573882879 /nfs/dbraw/zinc/88/28/79/573882879.db2.gz XVVRUHJKAPKTAO-ZCFIWIBFSA-N 0 0 154.234 2.036 10 0 AEAERN CC(C)c1n[nH]cc1OC1CC1 238177348 573881844 /nfs/dbraw/zinc/88/18/44/573881844.db2.gz HIXGMLBHYLPOIA-UHFFFAOYSA-N 0 0 166.224 2.074 10 0 AEAERN COCCc1ccc(CC(C)=O)cc1 258171186 573881852 /nfs/dbraw/zinc/88/18/52/573881852.db2.gz VWYFUICWLXUVRH-UHFFFAOYSA-N 0 0 192.258 2.007 10 0 AEAERN Cc1c(N)noc1C1(C)CCCC1 87330714 573881854 /nfs/dbraw/zinc/88/18/54/573881854.db2.gz FNCXVIHILSSJJH-UHFFFAOYSA-N 0 0 180.251 2.397 10 0 AEAERN COc1cccc(CF)c1CCCO 258171682 573881859 /nfs/dbraw/zinc/88/18/59/573881859.db2.gz QDBKNVAPMOWAMO-UHFFFAOYSA-N 0 0 198.237 2.090 10 0 AEAERN CCC1(c2ocnc2CO)CCCC1 87330897 573881887 /nfs/dbraw/zinc/88/18/87/573881887.db2.gz RZNRECKFJNTHIF-UHFFFAOYSA-N 0 0 195.262 2.389 10 0 AEAERN Cc1c(C2(C)CCCC2)noc1N 87317180 573881905 /nfs/dbraw/zinc/88/19/05/573881905.db2.gz VWDBBNRIQNCOMA-UHFFFAOYSA-N 0 0 180.251 2.397 10 0 AEAERN CCC1(c2nc(N)ns2)CCCC1 87330397 573881921 /nfs/dbraw/zinc/88/19/21/573881921.db2.gz RQEYEADABFPIRZ-UHFFFAOYSA-N 0 0 197.307 2.342 10 0 AEAERN CCC[C@H](O)[C@H](CC)n1ccnc1C 44180947 573881923 /nfs/dbraw/zinc/88/19/23/573881923.db2.gz FLMUDXFUVDLMGZ-QWRGUYRKSA-N 0 0 196.294 2.304 10 0 AEAERN C[C@H]1C[C@@]1(O)C1(C)CCCC1 87319112 573881949 /nfs/dbraw/zinc/88/19/49/573881949.db2.gz ARYZZYJOHAKSOR-WPRPVWTQSA-N 0 0 154.253 2.338 10 0 AEAERN CC1CCC(NC=O)(C(C)C)CC1 238178779 573881976 /nfs/dbraw/zinc/88/19/76/573881976.db2.gz WGQUUJWKKICTAL-UHFFFAOYSA-N 0 0 183.295 2.337 10 0 AEAERN CC(C)c1n[nH]cc1OC1CCC1 238177383 573881998 /nfs/dbraw/zinc/88/19/98/573881998.db2.gz RMGWMXJAXJLLDT-UHFFFAOYSA-N 0 0 180.251 2.464 10 0 AEAERN O=C1CCCNc2cnc(Cl)cc21 238552759 573882039 /nfs/dbraw/zinc/88/20/39/573882039.db2.gz MQVWGDYYSSUHCM-UHFFFAOYSA-N 0 0 196.637 2.123 10 0 AEAERN C[C@H]1C[C@]1(O)C1(C)CCCC1 87319109 573882074 /nfs/dbraw/zinc/88/20/74/573882074.db2.gz ARYZZYJOHAKSOR-WCBMZHEXSA-N 0 0 154.253 2.338 10 0 AEAERN CCC1(C2(O)CC2)CCCC1 87319097 573882108 /nfs/dbraw/zinc/88/21/08/573882108.db2.gz JADXIKLYAFJVLF-UHFFFAOYSA-N 0 0 154.253 2.482 10 0 AEAERN C/C=C/C(=O)N[C@@H]1CC[C@@H](C)[C@@H]1C 87333826 573882157 /nfs/dbraw/zinc/88/21/57/573882157.db2.gz AKVCWTKFERBXJZ-LWBFUSQJSA-N 0 0 181.279 2.113 10 0 AEAERN CCOc1cccc(C2(O)CCC2)c1 87334128 573882192 /nfs/dbraw/zinc/88/21/92/573882192.db2.gz WBAJWOLTHCILEC-UHFFFAOYSA-N 0 0 192.258 2.457 10 0 AEAERN O=c1ccsc2c(F)cccc12 238553209 573882201 /nfs/dbraw/zinc/88/22/01/573882201.db2.gz CNLMNMCZYPNEJQ-UHFFFAOYSA-N 0 0 180.203 2.401 10 0 AEAERN O=C1Cc2c(F)cccc2C12CCC2 238554051 573882208 /nfs/dbraw/zinc/88/22/08/573882208.db2.gz IGVUUVFDHBOYKY-UHFFFAOYSA-N 0 0 190.217 2.373 10 0 AEAERN COC[NH2+]CC(C)(C)c1ccc(C)o1 258984670 573882210 /nfs/dbraw/zinc/88/22/10/573882210.db2.gz CUKQFGARUKSESS-UHFFFAOYSA-N 0 0 197.278 2.059 10 0 AEAERN Cc1csc2c1[C@@H](O)CC2 238553817 573882227 /nfs/dbraw/zinc/88/22/27/573882227.db2.gz XVVRUHJKAPKTAO-LURJTMIESA-N 0 0 154.234 2.036 10 0 AEAERN CC(=O)[C@H]1[C@H]2C[C@@H]3C[C@H]2C[C@H]1C3 238178000 573882271 /nfs/dbraw/zinc/88/22/71/573882271.db2.gz MUARYPDSOOLBNJ-NZHYYXIDSA-N 0 0 164.248 2.258 10 0 AEAERN C[C@H]1C[C@@]1(CO)c1ccc(F)c(F)c1 258984587 573882920 /nfs/dbraw/zinc/88/29/20/573882920.db2.gz KDVYAUUAKXULTM-CPCISQLKSA-N 0 0 198.212 2.235 10 0 AEAERN C/C=C/[C@H](CO)CCCC 80133455 573882319 /nfs/dbraw/zinc/88/23/19/573882319.db2.gz WHGFGAJLCXBAGJ-DNQSNQRASA-N 0 0 142.242 2.361 10 0 AEAERN Cc1ccoc1C(=O)[C@H]1CCCOC1 225034256 573882324 /nfs/dbraw/zinc/88/23/24/573882324.db2.gz MVUPBWMKJXHGIK-VIFPVBQESA-N 0 0 194.230 2.197 10 0 AEAERN CCC1(c2n[nH]c(C)n2)CCCC1 87317334 573882326 /nfs/dbraw/zinc/88/23/26/573882326.db2.gz UPGIJGWPRNRYID-UHFFFAOYSA-N 0 0 179.267 2.335 10 0 AEAERN c1nc(NC2CCCCC2)c[nH]1 102039788 573882350 /nfs/dbraw/zinc/88/23/50/573882350.db2.gz IVPSXDQQHAWWIL-UHFFFAOYSA-N 0 0 165.240 2.154 10 0 AEAERN CC(C)[C@H]1[C@@H](C)[C@H](C)C[C@H]1O 238177619 573882352 /nfs/dbraw/zinc/88/23/52/573882352.db2.gz YRBIVWQLMYIZEE-RGOKHQFPSA-N 0 0 156.269 2.295 10 0 AEAERN C[C@H](O)[C@@H]1Cc2cc(F)ccc2S1 258170971 573882407 /nfs/dbraw/zinc/88/24/07/573882407.db2.gz SAUYLMXZKIHHPW-WKEGUHRASA-N 0 0 198.262 2.223 10 0 AEAERN Cc1occc1C(=O)[C@@H]1CCCOC1 225034121 573882414 /nfs/dbraw/zinc/88/24/14/573882414.db2.gz KZOPXOGWBLBHJX-SECBINFHSA-N 0 0 194.230 2.197 10 0 AEAERN Cc1cccc2c(=O)[nH]n(C(C)C)c12 257891820 573882424 /nfs/dbraw/zinc/88/24/24/573882424.db2.gz XGHXGFNLDNEMOT-UHFFFAOYSA-N 0 0 190.246 2.219 10 0 AEAERN CCC1(c2cc(N)on2)CCCC1 87317187 573882504 /nfs/dbraw/zinc/88/25/04/573882504.db2.gz YCXAACCZCHXTLO-UHFFFAOYSA-N 0 0 180.251 2.479 10 0 AEAERN CC(C)C[C@@H]1COC[C@]1(O)CC1CC1 716330069 573882520 /nfs/dbraw/zinc/88/25/20/573882520.db2.gz QJVFDSLYOYKQNE-VXGBXAGGSA-N 0 0 198.306 2.210 10 0 AEAERN CCC1(C2N=NC(=S)N2)CCCC1 87317393 573882540 /nfs/dbraw/zinc/88/25/40/573882540.db2.gz GTCQFFQTRLMZED-UHFFFAOYSA-N 0 0 197.307 2.315 10 0 AEAERN Cc1ccoc1C(=O)[C@@H]1CCCOC1 225034218 573882543 /nfs/dbraw/zinc/88/25/43/573882543.db2.gz MVUPBWMKJXHGIK-SECBINFHSA-N 0 0 194.230 2.197 10 0 AEAERN Cc1ccc(C2(O)CC2)c(F)c1 87333177 573882548 /nfs/dbraw/zinc/88/25/48/573882548.db2.gz CJBLLHKOVFVIIY-UHFFFAOYSA-N 0 0 166.195 2.116 10 0 AEAERN C[C@@H]1C[C@]1(CO)c1ccc(F)c(F)c1 258984591 573882566 /nfs/dbraw/zinc/88/25/66/573882566.db2.gz KDVYAUUAKXULTM-RDDDGLTNSA-N 0 0 198.212 2.235 10 0 AEAERN CC(C)(C)OC(=O)N[C@H]1CC12CC2 238177916 573882577 /nfs/dbraw/zinc/88/25/77/573882577.db2.gz VLJGZYAMRYMLKH-ZETCQYMHSA-N 0 0 183.251 2.064 10 0 AEAERN CC(C)[C@H]([NH3+])c1ccc(F)o1 238177678 573882600 /nfs/dbraw/zinc/88/26/00/573882600.db2.gz DACHSMJAOKUWNF-QMMMGPOBSA-N 0 0 157.188 2.075 10 0 AEAERN CC[C@H](C(=O)OC)c1cccs1 41202680 573882608 /nfs/dbraw/zinc/88/26/08/573882608.db2.gz ZUNBJQUMHWHZPN-ZETCQYMHSA-N 0 0 184.260 2.415 10 0 AEAERN Cc1ccc(-c2cc(N)n[nH]2)c(F)c1 87331714 573883179 /nfs/dbraw/zinc/88/31/79/573883179.db2.gz XQQVMJFCZJPFEZ-UHFFFAOYSA-N 0 0 191.209 2.106 10 0 AEAERN Cc1ccc(-c2n[nH]c(C)n2)c(F)c1 87331859 573882623 /nfs/dbraw/zinc/88/26/23/573882623.db2.gz OSFBIYOZPXZTOI-UHFFFAOYSA-N 0 0 191.209 2.228 10 0 AEAERN Cc1nc(C2CCC2)sc1CO 258985329 573882691 /nfs/dbraw/zinc/88/26/91/573882691.db2.gz AEKSOSXJEBZHOI-UHFFFAOYSA-N 0 0 183.276 2.211 10 0 AEAERN CC(C)C[C@@H]1COC[C@@]1(O)CC1CC1 716330062 573882741 /nfs/dbraw/zinc/88/27/41/573882741.db2.gz QJVFDSLYOYKQNE-NEPJUHHUSA-N 0 0 198.306 2.210 10 0 AEAERN Cc1cc(F)ccc1SC=O 259220523 573882754 /nfs/dbraw/zinc/88/27/54/573882754.db2.gz MHAKVUKFSBOPKI-UHFFFAOYSA-N 0 0 170.208 2.416 10 0 AEAERN OCC1(c2ccccc2F)CC(F)C1 257891822 573882763 /nfs/dbraw/zinc/88/27/63/573882763.db2.gz UJZYQQMZTFOWBD-UHFFFAOYSA-N 0 0 198.212 2.188 10 0 AEAERN CC(C)(C)OC(=O)N[C@H]1CCC=CO1 238178765 573882826 /nfs/dbraw/zinc/88/28/26/573882826.db2.gz LFXPTTBBJPMDLE-MRVPVSSYSA-N 0 0 199.250 2.161 10 0 AEAERN Cc1ccc([C@@]2(O)C[C@@H]2C)c(F)c1 87333181 573882946 /nfs/dbraw/zinc/88/29/46/573882946.db2.gz GYYNMAADKPARQJ-GZMMTYOYSA-N 0 0 180.222 2.362 10 0 AEAERN Cc1ccc(-c2cc(N)on2)c(F)c1 87331809 573882953 /nfs/dbraw/zinc/88/29/53/573882953.db2.gz ISIOWAXRJPONKF-UHFFFAOYSA-N 0 0 192.193 2.371 10 0 AEAERN CC(C)C[C@H]1COC[C@@]1(O)CC1CC1 716330067 573882990 /nfs/dbraw/zinc/88/29/90/573882990.db2.gz QJVFDSLYOYKQNE-RYUDHWBXSA-N 0 0 198.306 2.210 10 0 AEAERN Cc1ccc([C@]2(O)C[C@H]2C)c(F)c1 87333182 573883014 /nfs/dbraw/zinc/88/30/14/573883014.db2.gz GYYNMAADKPARQJ-KCJUWKMLSA-N 0 0 180.222 2.362 10 0 AEAERN CCOc1ccc([C@H](C)CO)cc1 41201296 573885146 /nfs/dbraw/zinc/88/51/46/573885146.db2.gz ZYQOHMPPVYYEEH-SECBINFHSA-N 0 0 180.247 2.181 10 0 AEAERN CC(C)(C)OC[C@H](O)C(C)(C)C 44227066 573892125 /nfs/dbraw/zinc/89/21/25/573892125.db2.gz SIWHGOGLBZLWNP-QMMMGPOBSA-N 0 0 174.284 2.209 10 0 AEAERN CNc1cc(C)cc(F)c1 84426132 573885185 /nfs/dbraw/zinc/88/51/85/573885185.db2.gz VQRVLBJOLAKRQE-UHFFFAOYSA-N 0 0 139.173 2.176 10 0 AEAERN Clc1cc2c(cc1[C@H]1CO1)OCO2 238555230 573884833 /nfs/dbraw/zinc/88/48/33/573884833.db2.gz RJBIZGGKQDSIRN-SECBINFHSA-N 0 0 198.605 2.140 10 0 AEAERN C[C@@]1(F)CCCc2onc(C=O)c21 257893608 573884836 /nfs/dbraw/zinc/88/48/36/573884836.db2.gz NURROPNYYPQAPK-SECBINFHSA-N 0 0 183.182 2.008 10 0 AEAERN N=C(Cl)C(=O)c1ccccc1 80304235 573884842 /nfs/dbraw/zinc/88/48/42/573884842.db2.gz BVGFSJNHQQRZDK-UHFFFAOYSA-N 0 0 167.595 2.085 10 0 AEAERN Cc1ccc(OC[C@H](C)CO)cc1 41201346 573885203 /nfs/dbraw/zinc/88/52/03/573885203.db2.gz ZONJDVUQHCJJOD-SNVBAGLBSA-N 0 0 180.247 2.002 10 0 AEAERN CCc1c(N)n[nH]c1C1(C)CCCC1 87316916 573884866 /nfs/dbraw/zinc/88/48/66/573884866.db2.gz IRZUNHAWBKOITB-UHFFFAOYSA-N 0 0 193.294 2.386 10 0 AEAERN CC1(C)OC2=CCCC(=O)[C@]23C[C@H]13 238179197 573884946 /nfs/dbraw/zinc/88/49/46/573884946.db2.gz FSKQZLFYAOHXAN-RDDDGLTNSA-N 0 0 178.231 2.048 10 0 AEAERN COc1ccccc1[C@@H](CO)C1CC1 41205898 573885028 /nfs/dbraw/zinc/88/50/28/573885028.db2.gz KARVGOMFLQBYRS-NSHDSACASA-N 0 0 192.258 2.181 10 0 AEAERN N#CNc1nccc2ccccc12 238554697 573885042 /nfs/dbraw/zinc/88/50/42/573885042.db2.gz FXIOUPNCSLSXHB-UHFFFAOYSA-N 0 0 169.187 2.128 10 0 AEAERN Cc1cc(C(C)C)nc(C(C)(C)O)n1 258985252 573885052 /nfs/dbraw/zinc/88/50/52/573885052.db2.gz BRPIWQUBZFGFNR-UHFFFAOYSA-N 0 0 194.278 2.136 10 0 AEAERN CC(=O)C[C@@H](O)C1CCC(C)CC1 238179782 573885085 /nfs/dbraw/zinc/88/50/85/573885085.db2.gz FPJNTIGLSGDJLS-BOBPJJCASA-N 0 0 184.279 2.153 10 0 AEAERN C[C@H](O)c1cccc(CC(C)(C)O)c1 259577302 573885094 /nfs/dbraw/zinc/88/50/94/573885094.db2.gz XWKQNSXJEZKUCN-VIFPVBQESA-N 0 0 194.274 2.053 10 0 AEAERN Cc1cn2nccc2cc1Cl 238555121 573885112 /nfs/dbraw/zinc/88/51/12/573885112.db2.gz CSDWNUPGJZQISR-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN Cc1ccc(C(C)C)c(ON)c1 76595187 573889298 /nfs/dbraw/zinc/88/92/98/573889298.db2.gz HSDWOZJGUZFKPQ-UHFFFAOYSA-N 0 0 165.236 2.371 10 0 AEAERN CC1(C)C=CCCC(=O)C1 238179503 573886670 /nfs/dbraw/zinc/88/66/70/573886670.db2.gz XVVYCEXPMIUOPB-UHFFFAOYSA-N 0 0 138.210 2.322 10 0 AEAERN Cc1ccc(OC[C@@H](C)CO)cc1 41201343 573886679 /nfs/dbraw/zinc/88/66/79/573886679.db2.gz ZONJDVUQHCJJOD-JTQLQIEISA-N 0 0 180.247 2.002 10 0 AEAERN Cc1c[nH]c(C)c1[C@H](O)C(F)(F)F 238554434 573886724 /nfs/dbraw/zinc/88/67/24/573886724.db2.gz NHJHZWLPBDJWSS-ZETCQYMHSA-N 0 0 193.168 2.227 10 0 AEAERN Clc1cncc(-c2ncc[nH]2)c1 238560518 573886771 /nfs/dbraw/zinc/88/67/71/573886771.db2.gz OMUNDKCPYZHQMP-UHFFFAOYSA-N 0 0 179.610 2.125 10 0 AEAERN C[C@]1(F)CCCc2onc(C=O)c21 257893610 573886814 /nfs/dbraw/zinc/88/68/14/573886814.db2.gz NURROPNYYPQAPK-VIFPVBQESA-N 0 0 183.182 2.008 10 0 AEAERN Cc1ccsc1C(F)(F)[C@@H](C)N 259220110 573886827 /nfs/dbraw/zinc/88/68/27/573886827.db2.gz RJHQGJYCGIOWDE-ZCFIWIBFSA-N 0 0 191.246 2.496 10 0 AEAERN C[C@H]1CC[C@@H]2CC(=O)C[C@@H]2C1 76589407 573886872 /nfs/dbraw/zinc/88/68/72/573886872.db2.gz KSZDMPOSFSZFBI-YIZRAAEISA-N 0 0 152.237 2.402 10 0 AEAERN C/C=C/C(=O)NCCCCC1CC1 716331507 573887008 /nfs/dbraw/zinc/88/70/08/573887008.db2.gz PNIISJZFTMTXJE-GORDUTHDSA-N 0 0 181.279 2.259 10 0 AEAERN CCCCCCO[C@H](C)[C@@H](C)O 44229234 573889346 /nfs/dbraw/zinc/88/93/46/573889346.db2.gz QQCJXUYSAMNZKH-NXEZZACHSA-N 0 0 174.284 2.353 10 0 AEAERN Cn1ccc(-c2ccc(F)cc2)c1N 258173450 573887120 /nfs/dbraw/zinc/88/71/20/573887120.db2.gz RSLXYRJDRYAQCH-UHFFFAOYSA-N 0 0 190.221 2.413 10 0 AEAERN Cc1csc2c(N)nc(Cl)nc12 238555014 573887127 /nfs/dbraw/zinc/88/71/27/573887127.db2.gz UKCGBBNINZTTEL-UHFFFAOYSA-N 0 0 199.666 2.235 10 0 AEAERN C[C@@H](O)c1cccc(CC(C)(C)O)c1 259577300 573887179 /nfs/dbraw/zinc/88/71/79/573887179.db2.gz XWKQNSXJEZKUCN-SECBINFHSA-N 0 0 194.274 2.053 10 0 AEAERN Clc1cncc(-c2cnco2)c1 238560485 573887253 /nfs/dbraw/zinc/88/72/53/573887253.db2.gz PHEUYRUFOFMZKL-UHFFFAOYSA-N 0 0 180.594 2.390 10 0 AEAERN CC(C)c1n[nH]c2cccc(C=O)c12 257892794 573887347 /nfs/dbraw/zinc/88/73/47/573887347.db2.gz XJNNALPREYAMAP-UHFFFAOYSA-N 0 0 188.230 2.499 10 0 AEAERN C[C@@H]1CCC[C@H](n2ccnc2C[NH3+])C1 87343264 573887424 /nfs/dbraw/zinc/88/74/24/573887424.db2.gz YODPQEKXJFKNSE-ZJUUUORDSA-N 0 0 193.294 2.093 10 0 AEAERN OC[C@@H](F)c1ccc(Cl)cc1 101921751 573887475 /nfs/dbraw/zinc/88/74/75/573887475.db2.gz KMABJEMWVVSDMR-MRVPVSSYSA-N 0 0 174.602 2.343 10 0 AEAERN Cc1csc2ccnc(CO)c12 238555528 573887545 /nfs/dbraw/zinc/88/75/45/573887545.db2.gz XANVMVPNDKZBFC-UHFFFAOYSA-N 0 0 179.244 2.097 10 0 AEAERN COC(=O)[C@H](F)C1CCCCCC1 257892943 573888212 /nfs/dbraw/zinc/88/82/12/573888212.db2.gz XNEVUGZNAMEDIP-SECBINFHSA-N 0 0 188.242 2.468 10 0 AEAERN COc1csc(-c2cc[nH]c2)n1 259220696 573887622 /nfs/dbraw/zinc/88/76/22/573887622.db2.gz IQVMMXQKVKPDQC-UHFFFAOYSA-N 0 0 180.232 2.147 10 0 AEAERN Clc1cc2c(cc1[C@@H]1CO1)OCO2 238555208 573887627 /nfs/dbraw/zinc/88/76/27/573887627.db2.gz RJBIZGGKQDSIRN-VIFPVBQESA-N 0 0 198.605 2.140 10 0 AEAERN C[C@H]1CCC[C@H](n2ccnc2C[NH3+])C1 87343265 573887629 /nfs/dbraw/zinc/88/76/29/573887629.db2.gz YODPQEKXJFKNSE-UWVGGRQHSA-N 0 0 193.294 2.093 10 0 AEAERN CC(C)c1ccc(ON)cc1 76589218 573887634 /nfs/dbraw/zinc/88/76/34/573887634.db2.gz GTAUZROEEGJYAF-UHFFFAOYSA-N 0 0 151.209 2.063 10 0 AEAERN CCC[C@@H](O)[C@@H](CC)n1ccnc1C 44180945 573887690 /nfs/dbraw/zinc/88/76/90/573887690.db2.gz FLMUDXFUVDLMGZ-GHMZBOCLSA-N 0 0 196.294 2.304 10 0 AEAERN Nc1c(O)cccc1-c1ccncc1 144909962 573887797 /nfs/dbraw/zinc/88/77/97/573887797.db2.gz SPSLZQIUSAWHDY-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Cc1cc(N)n([C@@H](C)C2(C)CC2)n1 87363391 573892643 /nfs/dbraw/zinc/89/26/43/573892643.db2.gz FKLLDDXNYHDXPU-QMMMGPOBSA-N 0 0 179.267 2.135 10 0 AEAERN CC[C@@H](C(=O)OC)c1cccs1 41202683 573887818 /nfs/dbraw/zinc/88/78/18/573887818.db2.gz ZUNBJQUMHWHZPN-SSDOTTSWSA-N 0 0 184.260 2.415 10 0 AEAERN C/C=C(\C)[C@@H](C)C(C)=O 101960182 573887837 /nfs/dbraw/zinc/88/78/37/573887837.db2.gz JREXONVOTZQSLT-WEWAHIQMSA-N 0 0 126.199 2.178 10 0 AEAERN O=Cc1cc(C2CC2)ncc1Cl 238555313 573887842 /nfs/dbraw/zinc/88/78/42/573887842.db2.gz CCGGPXWCPXWQHI-UHFFFAOYSA-N 0 0 181.622 2.425 10 0 AEAERN Cc1c[nH]c(C)c1[C@@H](O)C(F)(F)F 238554357 573887849 /nfs/dbraw/zinc/88/78/49/573887849.db2.gz NHJHZWLPBDJWSS-SSDOTTSWSA-N 0 0 193.168 2.227 10 0 AEAERN CC1CCC([C@H](O)c2ncc[nH]2)CC1 87340242 573887871 /nfs/dbraw/zinc/88/78/71/573887871.db2.gz YEGMUCZPXIPDHC-RTBKNWGFSA-N 0 0 194.278 2.269 10 0 AEAERN CC(=O)Oc1[nH]c2ccccc2c1C 80210767 573888010 /nfs/dbraw/zinc/88/80/10/573888010.db2.gz DBYNTNGEHZIZES-UHFFFAOYSA-N 0 0 189.214 2.402 10 0 AEAERN COC(=O)[C@@H](F)C1CCCCCC1 257892945 573888016 /nfs/dbraw/zinc/88/80/16/573888016.db2.gz XNEVUGZNAMEDIP-VIFPVBQESA-N 0 0 188.242 2.468 10 0 AEAERN C[C@H]1CCC[C@@H](C(=O)c2ncc[nH]2)C1 87339395 573888054 /nfs/dbraw/zinc/88/80/54/573888054.db2.gz KAVLNJVOPLPVMF-DTWKUNHWSA-N 0 0 192.262 2.419 10 0 AEAERN CC1C[C@@H]2CCC[C@H](C1)C2=O 76589416 573888231 /nfs/dbraw/zinc/88/82/31/573888231.db2.gz MYNBGSVUWHJWFK-CBLAIPOGSA-N 0 0 152.237 2.402 10 0 AEAERN CC(=O)C[C@@H]1Cc2ccc(C)cc2O1 258172896 573888233 /nfs/dbraw/zinc/88/82/33/573888233.db2.gz SEUVUDJONUBMFG-LLVKDONJSA-N 0 0 190.242 2.278 10 0 AEAERN OC1(CC[C@@H]2CCOC2)CCCC1 257893170 573888110 /nfs/dbraw/zinc/88/81/10/573888110.db2.gz CRZPYDAGBOKIPK-SNVBAGLBSA-N 0 0 184.279 2.108 10 0 AEAERN O[C@@H](CC1CCCCC1)c1ncc[nH]1 87339761 573888321 /nfs/dbraw/zinc/88/83/21/573888321.db2.gz UBLCOCGRUFAZCT-JTQLQIEISA-N 0 0 194.278 2.414 10 0 AEAERN CC1CCC(C(=O)c2ncc[nH]2)CC1 87339288 573888334 /nfs/dbraw/zinc/88/83/34/573888334.db2.gz AKRGDGOQTSCPDV-UHFFFAOYSA-N 0 0 192.262 2.419 10 0 AEAERN C[C@H]1CCC[C@@H](n2ccnc2C[NH3+])C1 87343267 573888356 /nfs/dbraw/zinc/88/83/56/573888356.db2.gz YODPQEKXJFKNSE-VHSXEESVSA-N 0 0 193.294 2.093 10 0 AEAERN Clc1nc(C2CC2)nc2cc[nH]c12 238562024 573888443 /nfs/dbraw/zinc/88/84/43/573888443.db2.gz NGKCRBQOOAHKQN-UHFFFAOYSA-N 0 0 193.637 2.489 10 0 AEAERN CC1(C)OC2=CCCC(=O)[C@@]23C[C@@H]13 238179140 573888445 /nfs/dbraw/zinc/88/84/45/573888445.db2.gz FSKQZLFYAOHXAN-CPCISQLKSA-N 0 0 178.231 2.048 10 0 AEAERN C[C@@H]1CCC[C@H]([C@H](O)c2ncc[nH]2)C1 87339805 573888503 /nfs/dbraw/zinc/88/85/03/573888503.db2.gz FZGFFXYHXJUDCB-UTLUCORTSA-N 0 0 194.278 2.269 10 0 AEAERN CC12CC3CC1(C)CC(C2)C3=O 238180205 573888509 /nfs/dbraw/zinc/88/85/09/573888509.db2.gz IVJBUFNEWWEBSB-UHFFFAOYSA-N 0 0 164.248 2.402 10 0 AEAERN O[C@H](CC1CCCCC1)c1ncc[nH]1 87339759 573888537 /nfs/dbraw/zinc/88/85/37/573888537.db2.gz UBLCOCGRUFAZCT-SNVBAGLBSA-N 0 0 194.278 2.414 10 0 AEAERN CC(C)(C)[C@@H]1C=CNC(=S)C1 238182289 573888573 /nfs/dbraw/zinc/88/85/73/573888573.db2.gz BHWKFWKXMOHSKP-SSDOTTSWSA-N 0 0 169.293 2.483 10 0 AEAERN C[C@@H]1CCC[C@@H](n2ccnc2C[NH3+])C1 87343266 573888578 /nfs/dbraw/zinc/88/85/78/573888578.db2.gz YODPQEKXJFKNSE-NXEZZACHSA-N 0 0 193.294 2.093 10 0 AEAERN CC(C)(C)[C@H](O)Cc1ccccc1O 238180086 573888614 /nfs/dbraw/zinc/88/86/14/573888614.db2.gz FWLZNECGGBEVGO-LLVKDONJSA-N 0 0 194.274 2.342 10 0 AEAERN c1cnc2c(c1)Cc1cnccc1-2 80274130 573888633 /nfs/dbraw/zinc/88/86/33/573888633.db2.gz MDMNSAWFMMCFFG-UHFFFAOYSA-N 0 0 168.199 2.048 10 0 AEAERN C[C@@H]1CCC[C@@H](C(=O)c2ncc[nH]2)C1 87339393 573888640 /nfs/dbraw/zinc/88/86/40/573888640.db2.gz KAVLNJVOPLPVMF-RKDXNWHRSA-N 0 0 192.262 2.419 10 0 AEAERN CCCCC[C@H]([NH2+]C)c1ncc[nH]1 87341468 573888646 /nfs/dbraw/zinc/88/86/46/573888646.db2.gz FQYFFOHFDDNZQJ-VIFPVBQESA-N 0 0 181.283 2.251 10 0 AEAERN O[C@@H](CC1CCCC1)c1ncc[nH]1 87339870 573888663 /nfs/dbraw/zinc/88/86/63/573888663.db2.gz SBPXQLQNGIYEKV-VIFPVBQESA-N 0 0 180.251 2.023 10 0 AEAERN CCCc1nc(Cl)c(C(C)=O)[nH]1 80177157 573888729 /nfs/dbraw/zinc/88/87/29/573888729.db2.gz OMHFCEXLTCPXAH-UHFFFAOYSA-N 0 0 186.642 2.218 10 0 AEAERN CC(C)(C)[C@H](O)C[C@@H]1C=CCCO1 238179997 573888768 /nfs/dbraw/zinc/88/87/68/573888768.db2.gz ZDBYPYHZVXUKPL-VHSXEESVSA-N 0 0 184.279 2.129 10 0 AEAERN N=C1SC(=O)N[C@@H]1c1ccccc1 238561154 573888824 /nfs/dbraw/zinc/88/88/24/573888824.db2.gz NZKUJFQGZWJYHT-SSDOTTSWSA-N 0 0 192.243 2.161 10 0 AEAERN CCCc1cc(C)c(O)cc1O 102257478 573888843 /nfs/dbraw/zinc/88/88/43/573888843.db2.gz DZOXEHTWEOBBAB-UHFFFAOYSA-N 0 0 166.220 2.359 10 0 AEAERN CC(C)n1ncc(N)c1C(C)(C)C 257894712 573889389 /nfs/dbraw/zinc/88/93/89/573889389.db2.gz NXPCVDXQYBVKCD-UHFFFAOYSA-N 0 0 181.283 2.344 10 0 AEAERN CCO[C@H](C)[C@H](O)c1ccccc1 44193350 573888938 /nfs/dbraw/zinc/88/89/38/573888938.db2.gz OLIBIXULGFQTAV-KOLCDFICSA-N 0 0 180.247 2.145 10 0 AEAERN [NH3+]C1(c2cc([O-])c(F)c(F)c2)CCC1 238562653 573888999 /nfs/dbraw/zinc/88/89/99/573888999.db2.gz OVQCCRHIBKAVPU-UHFFFAOYSA-N 0 0 199.200 2.008 10 0 AEAERN CO[C@@H]1C[C@@H]1C(=O)CCC(C)(C)C 690000826 573889015 /nfs/dbraw/zinc/88/90/15/573889015.db2.gz AKXWNZNNOUHARX-PSASIEDQSA-N 0 0 184.279 2.417 10 0 AEAERN Cc1ccc(-c2csnn2)c(O)c1 238562545 573889030 /nfs/dbraw/zinc/88/90/30/573889030.db2.gz HZBFAEKHLGHBAS-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN CCCCCCO[C@H]1CCC[C@@H]1O 44229660 573889090 /nfs/dbraw/zinc/88/90/90/573889090.db2.gz JTOGESRUBGCHEU-QWRGUYRKSA-N 0 0 186.295 2.497 10 0 AEAERN CCc1ccc([C@H](O)[C@H](C)OC)cc1 44192570 573889104 /nfs/dbraw/zinc/88/91/04/573889104.db2.gz 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173.215 2.299 10 0 AEAERN CC(C)CC[C@@H]1COCCC1=O 76598046 573894101 /nfs/dbraw/zinc/89/41/01/573894101.db2.gz MLJIHERZUMZWFD-SECBINFHSA-N 0 0 170.252 2.028 10 0 AEAERN O[C@@H](Cc1ccc[nH]1)c1ccccc1 80384402 573894126 /nfs/dbraw/zinc/89/41/26/573894126.db2.gz PESQCCDZZKHDJA-LBPRGKRZSA-N 0 0 187.242 2.291 10 0 AEAERN Cc1nc2ccc(C3(O)CC3)cc2o1 258173779 573894164 /nfs/dbraw/zinc/89/41/64/573894164.db2.gz WBQODEBONDCLCW-UHFFFAOYSA-N 0 0 189.214 2.118 10 0 AEAERN COc1c(F)cc(C)cc1CCCO 258174628 573894248 /nfs/dbraw/zinc/89/42/48/573894248.db2.gz QMAZSUMWULYJCB-UHFFFAOYSA-N 0 0 198.237 2.068 10 0 AEAERN CCC1CCC([C@H]2COC[C@@H]2O)CC1 687967188 573894305 /nfs/dbraw/zinc/89/43/05/573894305.db2.gz RFVQGWNMNVQSSS-HCWSGVFWSA-N 0 0 198.306 2.210 10 0 AEAERN CCOCc1c[nH]c2cccc(N)c12 258991361 573894312 /nfs/dbraw/zinc/89/43/12/573894312.db2.gz ZDFWDIMEVKWMQY-UHFFFAOYSA-N 0 0 190.246 2.287 10 0 AEAERN C=C/C(C)=C\Cl 102297996 573894319 /nfs/dbraw/zinc/89/43/19/573894319.db2.gz ITQIRXSIZVCCPM-PLNGDYQASA-N 0 0 102.564 2.315 10 0 AEAERN CCc1ccc(NC2COC2)cc1 76602276 573894321 /nfs/dbraw/zinc/89/43/21/573894321.db2.gz YDJFRKLXZNGNSV-UHFFFAOYSA-N 0 0 177.247 2.060 10 0 AEAERN CC(C)C[C@@H]1CSCCC1=O 76599517 573894352 /nfs/dbraw/zinc/89/43/52/573894352.db2.gz CSYDBPJHIXIIGK-MRVPVSSYSA-N 0 0 172.293 2.355 10 0 AEAERN Nc1c(Cl)ncc(C(F)F)c1F 238563483 573894358 /nfs/dbraw/zinc/89/43/58/573894358.db2.gz YCPLEOVLJMRKPG-UHFFFAOYSA-N 0 0 196.559 2.394 10 0 AEAERN Cn1cc(N)cc1CC1CCCC1 76602893 573894361 /nfs/dbraw/zinc/89/43/61/573894361.db2.gz NIWHGTTVDOUDJU-UHFFFAOYSA-N 0 0 178.279 2.340 10 0 AEAERN CCC1CCC([C@@H]2COC[C@H]2O)CC1 687967190 573894411 /nfs/dbraw/zinc/89/44/11/573894411.db2.gz RFVQGWNMNVQSSS-MMVSWEMESA-N 0 0 198.306 2.210 10 0 AEAERN CONCc1ccc([C@H](C)OC)cc1 258173800 573894402 /nfs/dbraw/zinc/89/44/02/573894402.db2.gz WBTJIMSOADPKLO-VIFPVBQESA-N 0 0 195.262 2.045 10 0 AEAERN Cc1noc2cccc(C(C)(C)O)c12 258173693 573894442 /nfs/dbraw/zinc/89/44/42/573894442.db2.gz WALURNQHBKLIKA-UHFFFAOYSA-N 0 0 191.230 2.364 10 0 AEAERN CCC(CC)Nc1cnc(C)nc1 76603469 573894623 /nfs/dbraw/zinc/89/46/23/573894623.db2.gz RLESIJLGRFOQIV-UHFFFAOYSA-N 0 0 179.267 2.386 10 0 AEAERN Fc1ccc2c(c1)[C@@H]1C[C@@H]1CN2 258445719 573894647 /nfs/dbraw/zinc/89/46/47/573894647.db2.gz FMFRIEZANRVBJR-HTRCEHHLSA-N 0 0 163.195 2.355 10 0 AEAERN CONCc1ccccc1C[C@@H](C)F 258173709 573894660 /nfs/dbraw/zinc/89/46/60/573894660.db2.gz WATQONGEHBIFFG-SECBINFHSA-N 0 0 197.253 2.238 10 0 AEAERN O=Cc1cnn(C2CCCCC2)c1F 258174066 573894715 /nfs/dbraw/zinc/89/47/15/573894715.db2.gz UMTFKRIJGWCUTR-UHFFFAOYSA-N 0 0 196.225 2.340 10 0 AEAERN Oc1ccc2c(c1)CC[C@@H](C1CC1)O2 716350107 573894801 /nfs/dbraw/zinc/89/48/01/573894801.db2.gz VVJAJLDWLCLVDC-NSHDSACASA-N 0 0 190.242 2.496 10 0 AEAERN CC1(F)CCC2(CC1)OCCO2 238175078 573894807 /nfs/dbraw/zinc/89/48/07/573894807.db2.gz YCQVUFGCHXJNHH-UHFFFAOYSA-N 0 0 174.215 2.032 10 0 AEAERN c1cc2n[nH]cc2cc1NC1CC1 76599814 573894813 /nfs/dbraw/zinc/89/48/13/573894813.db2.gz OPQCZUOCYFRDCL-UHFFFAOYSA-N 0 0 173.219 2.137 10 0 AEAERN CC(C)[C@H]1C(=O)N[C@@H]1C[Si](C)(C)C 238175131 573897127 /nfs/dbraw/zinc/89/71/27/573897127.db2.gz JKSNIBLFJKWLOD-RKDXNWHRSA-N 0 0 199.370 2.095 10 0 AEAERN CC(C)C[C@@H](C)OCC[C@@H](C)O 44222751 573897130 /nfs/dbraw/zinc/89/71/30/573897130.db2.gz SACQDHQQCYKPLV-NXEZZACHSA-N 0 0 174.284 2.209 10 0 AEAERN CCc1c[nH]c(-c2cccc(N)c2)n1 258991197 573896786 /nfs/dbraw/zinc/89/67/86/573896786.db2.gz AZIBJBMYUJKGCB-UHFFFAOYSA-N 0 0 187.246 2.221 10 0 AEAERN COC(=O)C1(CC2CCC2)CC1 259222145 573896832 /nfs/dbraw/zinc/89/68/32/573896832.db2.gz ULGMLLHUCKFFQA-UHFFFAOYSA-N 0 0 168.236 2.130 10 0 AEAERN Cc1ccc(Cl)o1 80490085 573896833 /nfs/dbraw/zinc/89/68/33/573896833.db2.gz GQSHJDSSWWLNQR-UHFFFAOYSA-N 0 0 116.547 2.241 10 0 AEAERN Cc1cccc([C@@H](O)COC(C)C)c1 44220191 573896858 /nfs/dbraw/zinc/89/68/58/573896858.db2.gz GCJZXDLFNIHGDI-LBPRGKRZSA-N 0 0 194.274 2.453 10 0 AEAERN CC(C)C[C@H]1CSCCC1=O 76599520 573896908 /nfs/dbraw/zinc/89/69/08/573896908.db2.gz CSYDBPJHIXIIGK-QMMMGPOBSA-N 0 0 172.293 2.355 10 0 AEAERN COc1cccc2c1NC[C@@H](C)CO2 259223993 573896915 /nfs/dbraw/zinc/89/69/15/573896915.db2.gz MAFKHTWETJNVFP-MRVPVSSYSA-N 0 0 193.246 2.136 10 0 AEAERN C[C@H]1CCCC[C@@H]1OCC[C@@H](C)O 44217547 573896918 /nfs/dbraw/zinc/89/69/18/573896918.db2.gz JOMLKORXDHQWCF-AXFHLTTASA-N 0 0 186.295 2.353 10 0 AEAERN CC(C)=C[C@@H]1OC(=O)N[C@@H]1C(C)C 238174035 573896940 /nfs/dbraw/zinc/89/69/40/573896940.db2.gz QHLYSLDRQRXECK-DTWKUNHWSA-N 0 0 183.251 2.086 10 0 AEAERN C[C@@H](CC1CCCC1)NN(C)C 689866115 573896963 /nfs/dbraw/zinc/89/69/63/573896963.db2.gz QFHTYEPTUGUBMV-VIFPVBQESA-N 0 0 170.300 2.021 10 0 AEAERN Cc1csc([C@](C)([NH3+])C2(C)CC2)n1 87365137 573896983 /nfs/dbraw/zinc/89/69/83/573896983.db2.gz UJHNBZCHVTXLFO-JTQLQIEISA-N 0 0 196.319 2.426 10 0 AEAERN CC(C)CCc1cn(C)cc1C=O 76603400 573897009 /nfs/dbraw/zinc/89/70/09/573897009.db2.gz OGFKMSUWOLGDTL-UHFFFAOYSA-N 0 0 179.263 2.426 10 0 AEAERN CC(C)N1C(=O)Cc2cccc(F)c21 102278735 573897044 /nfs/dbraw/zinc/89/70/44/573897044.db2.gz ACDVJESWNURLIP-UHFFFAOYSA-N 0 0 193.221 2.123 10 0 AEAERN CC(C)c1cnccc1[C@H](C)CO 238175054 573897176 /nfs/dbraw/zinc/89/71/76/573897176.db2.gz KJAWYIHMZDGUDS-SECBINFHSA-N 0 0 179.263 2.301 10 0 AEAERN CC[C@H](C(=O)OC)c1nc(C)cs1 259226889 573897245 /nfs/dbraw/zinc/89/72/45/573897245.db2.gz MILYKBGMSGIDLY-ZETCQYMHSA-N 0 0 199.275 2.118 10 0 AEAERN O[C@@H]1CSCc2sccc21 76599483 573897274 /nfs/dbraw/zinc/89/72/74/573897274.db2.gz AVZMBCWFRUJFKV-ZCFIWIBFSA-N 0 0 172.274 2.028 10 0 AEAERN CC(C)[C@@H]1[C@@H](C)C(C)(C)[C@@H]1O 238174130 573897302 /nfs/dbraw/zinc/89/73/02/573897302.db2.gz MCGGOVAELAIQIL-IWSPIJDZSA-N 0 0 156.269 2.295 10 0 AEAERN Cn1ncc(N)c1C1CCCCCC1 257894997 573897321 /nfs/dbraw/zinc/89/73/21/573897321.db2.gz XWNLOXXGNYGXEO-UHFFFAOYSA-N 0 0 193.294 2.440 10 0 AEAERN CC1CCC(OCC[C@H](C)O)CC1 44219167 573897327 /nfs/dbraw/zinc/89/73/27/573897327.db2.gz ZKVNCAIDQVCIBX-YVNMAJEFSA-N 0 0 186.295 2.353 10 0 AEAERN CC(=O)CN(C)Cc1sccc1C 258990414 573897404 /nfs/dbraw/zinc/89/74/04/573897404.db2.gz XNJIAJATGIUGGV-UHFFFAOYSA-N 0 0 197.303 2.077 10 0 AEAERN CC[C@H](O)[C@@H](C)OCCC(C)C 44218298 573897466 /nfs/dbraw/zinc/89/74/66/573897466.db2.gz LXGRFDUMJYBHOW-ZJUUUORDSA-N 0 0 174.284 2.209 10 0 AEAERN CCc1cccc(O[C@H](C)[C@H](C)O)c1 44224199 573897476 /nfs/dbraw/zinc/89/74/76/573897476.db2.gz SPKLZIKXYKPRHI-VHSXEESVSA-N 0 0 194.274 2.397 10 0 AEAERN Cc1c[nH]c2c(C=O)cccc12 45793639 573897527 /nfs/dbraw/zinc/89/75/27/573897527.db2.gz PVOFCFIQTLYFRL-UHFFFAOYSA-N 0 0 159.188 2.289 10 0 AEAERN CC1(C)C=C[C@@H]2C(=O)CC[C@H]21 238174445 573897543 /nfs/dbraw/zinc/89/75/43/573897543.db2.gz GHDATYYNXZTYPS-JGVFFNPUSA-N 0 0 150.221 2.178 10 0 AEAERN CC(=O)c1ccc2c(c1)[C@@H](C)CN2 257901801 573897611 /nfs/dbraw/zinc/89/76/11/573897611.db2.gz AODLUQARCAXBNQ-ZETCQYMHSA-N 0 0 175.231 2.418 10 0 AEAERN C1CCC(SCC2COC2)C1 259227818 573897612 /nfs/dbraw/zinc/89/76/12/573897612.db2.gz MWZWCIBDTIEBJM-UHFFFAOYSA-N 0 0 172.293 2.309 10 0 AEAERN Cc1ccc(-c2cc(N)cnn2)s1 257902247 573897627 /nfs/dbraw/zinc/89/76/27/573897627.db2.gz HXHNYDDRERVBMQ-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1ccc2c(c1)N(C1CC1)CCN2 84451169 573897643 /nfs/dbraw/zinc/89/76/43/573897643.db2.gz LNZKRZZRPJUYSC-UHFFFAOYSA-N 0 0 188.274 2.389 10 0 AEAERN c1cc2n(c1)-c1ccsc1NC2 76601591 573897658 /nfs/dbraw/zinc/89/76/58/573897658.db2.gz VTYOFYRMWXYDTJ-UHFFFAOYSA-N 0 0 176.244 2.464 10 0 AEAERN CC(C)Oc1nncc2ccccc12 102382265 573897668 /nfs/dbraw/zinc/89/76/68/573897668.db2.gz VGFJBIUKOXTGPJ-UHFFFAOYSA-N 0 0 188.230 2.417 10 0 AEAERN CC(C)Oc1ccc2cnn(C)c2c1 238173835 573897672 /nfs/dbraw/zinc/89/76/72/573897672.db2.gz CTKITCBDGBXNPS-UHFFFAOYSA-N 0 0 190.246 2.361 10 0 AEAERN Cc1ccc([C@@H](O)COC(C)C)cc1 44220347 573899634 /nfs/dbraw/zinc/89/96/34/573899634.db2.gz FHHPMTPOFHJXEC-LBPRGKRZSA-N 0 0 194.274 2.453 10 0 AEAERN CC1(C)CC2(CCC1C=O)OCCO2 238190320 573899645 /nfs/dbraw/zinc/89/96/45/573899645.db2.gz KIKWNSUTLASDBZ-VQHVLOKHSA-N 0 0 198.262 2.382 10 0 AEAERN CC(C)c1nncc2cc(O)ccc12 238190589 573900137 /nfs/dbraw/zinc/90/01/37/573900137.db2.gz DWFJFURYZICPOV-UHFFFAOYSA-N 0 0 188.230 2.459 10 0 AEAERN CC1([C@@](C)(O)c2cncc(F)c2)CC1 87365815 573899610 /nfs/dbraw/zinc/89/96/10/573899610.db2.gz GBSDDVQXGKZISJ-NSHDSACASA-N 0 0 195.237 2.228 10 0 AEAERN CC(C)[C@@H]1NCc2sccc2C1=O 238189689 573899613 /nfs/dbraw/zinc/89/96/13/573899613.db2.gz KNIRYQYBEJCSIZ-VIFPVBQESA-N 0 0 195.287 2.059 10 0 AEAERN CC(C)CCOC[C@H](O)C(C)(C)C 44218581 573899457 /nfs/dbraw/zinc/89/94/57/573899457.db2.gz FXATXFZQZOMTBO-JTQLQIEISA-N 0 0 188.311 2.456 10 0 AEAERN CC1(C)C[C@]1(CO)c1ccc(F)cc1 258989430 573899461 /nfs/dbraw/zinc/89/94/61/573899461.db2.gz KYECTJURZLTRNV-LBPRGKRZSA-N 0 0 194.249 2.486 10 0 AEAERN C/C=C(/C)[C@@H](O)C/C=C/C 223653435 573899503 /nfs/dbraw/zinc/89/95/03/573899503.db2.gz VAEQBVMZYUDYIP-HBHZIDIDSA-N 0 0 140.226 2.280 10 0 AEAERN CC(C)CCO[C@@H]1CCCC[C@@H]1O 44218259 573899523 /nfs/dbraw/zinc/89/95/23/573899523.db2.gz YNGKCNISJRBDOU-WDEREUQCSA-N 0 0 186.295 2.353 10 0 AEAERN Cc1ccc2c(c1)O[C@@H](C(C)(C)O)C2 257903549 573899547 /nfs/dbraw/zinc/89/95/47/573899547.db2.gz ATKKDTDUZOFCIN-LLVKDONJSA-N 0 0 192.258 2.069 10 0 AEAERN C[C@@H](O)c1cc2cc(F)ccc2n1C 257902975 573899555 /nfs/dbraw/zinc/89/95/55/573899555.db2.gz MOTUXHJVMPDCEZ-SSDOTTSWSA-N 0 0 193.221 2.371 10 0 AEAERN CC(C)CN(C)c1ccc(O)cc1 80451988 573899657 /nfs/dbraw/zinc/89/96/57/573899657.db2.gz FSLUTBCUFWSRLW-UHFFFAOYSA-N 0 0 179.263 2.484 10 0 AEAERN CC(C)Nc1cc(C2(C)CC2)[nH]n1 87367522 573899683 /nfs/dbraw/zinc/89/96/83/573899683.db2.gz MPMCNMGYKNDWDL-UHFFFAOYSA-N 0 0 179.267 2.282 10 0 AEAERN CC/C=C\CC[C@@H]1O[C@H](C)C[C@@H]1O 222501521 573899688 /nfs/dbraw/zinc/89/96/88/573899688.db2.gz TULHPXQWMHPJDO-QKTGQVLHSA-N 0 0 184.279 2.271 10 0 AEAERN CC1([C@](C)(O)c2cncc(F)c2)CC1 87365812 573899753 /nfs/dbraw/zinc/89/97/53/573899753.db2.gz GBSDDVQXGKZISJ-LLVKDONJSA-N 0 0 195.237 2.228 10 0 AEAERN CCCNc1ccc(C2(C)CC2)nn1 87367194 573899744 /nfs/dbraw/zinc/89/97/44/573899744.db2.gz PXDBOEXBLUATJW-UHFFFAOYSA-N 0 0 191.278 2.350 10 0 AEAERN COc1ccccc1[C@@H]1CC[C@H]1CO 257902912 573899756 /nfs/dbraw/zinc/89/97/56/573899756.db2.gz ZBCQLDBSQFUJGR-VHSXEESVSA-N 0 0 192.258 2.181 10 0 AEAERN C[C@H](O)[C@@H]1Cc2c(Cl)cccc2N1 258175816 573899769 /nfs/dbraw/zinc/89/97/69/573899769.db2.gz MPUZNMHCSSOMKV-WKEGUHRASA-N 0 0 197.665 2.057 10 0 AEAERN Nc1cncc(N2CCCCCC2)c1 84453108 573899863 /nfs/dbraw/zinc/89/98/63/573899863.db2.gz GBFQHXXTSMPRGU-UHFFFAOYSA-N 0 0 191.278 2.044 10 0 AEAERN CC[C@@H]1NC(=O)C[C@]1(C)C1(C)CC1 87369056 573899903 /nfs/dbraw/zinc/89/99/03/573899903.db2.gz QWWVDAHGIZNXNM-KWQFWETISA-N 0 0 181.279 2.091 10 0 AEAERN CCc1[nH]c(C[NH3+])nc1C1CCCC1 257902845 573899972 /nfs/dbraw/zinc/89/99/72/573899972.db2.gz YZPSUHXALYCGPU-UHFFFAOYSA-N 0 0 193.294 2.088 10 0 AEAERN Cc1ccc2c(c1)NCCN2C1CC1 84451177 573900002 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/nfs/dbraw/zinc/92/52/54/573925254.db2.gz SSFBEMNSXLTCFZ-QMMMGPOBSA-N 0 0 191.274 2.443 10 0 AEAERN CCC1(C(=O)O[C@H]2C=CCC2)CC1 308464192 573925311 /nfs/dbraw/zinc/92/53/11/573925311.db2.gz IKSZTYBWYHBASY-VIFPVBQESA-N 0 0 180.247 2.438 10 0 AEAERN CC[C@H](C)[N@@H+]1CCCCC[C@@H]1C(=O)[O-] 80992305 573925329 /nfs/dbraw/zinc/92/53/29/573925329.db2.gz LJVOLUGUIZIZHT-VHSXEESVSA-N 0 0 199.294 2.114 10 0 AEAERN CC(C)(O)c1ccc2ccncc2c1 258181983 573925348 /nfs/dbraw/zinc/92/53/48/573925348.db2.gz WRYZQGDNQLOTOG-UHFFFAOYSA-N 0 0 187.242 2.462 10 0 AEAERN CC1(C)CC(=S)C=C(N)C1 238188923 573925362 /nfs/dbraw/zinc/92/53/62/573925362.db2.gz MHTLZSCYALQSMX-UHFFFAOYSA-N 0 0 155.266 2.073 10 0 AEAERN Cc1cc(O)c(CON)cc1C(C)C 258181609 573925438 /nfs/dbraw/zinc/92/54/38/573925438.db2.gz WNZIVSSAIBZDJW-UHFFFAOYSA-N 0 0 195.262 2.214 10 0 AEAERN CC(C)(C)OC(=O)N[C@H]1C[C@@H]1C1CC1 238187663 573925499 /nfs/dbraw/zinc/92/54/99/573925499.db2.gz PWYXXMIBUCJRJT-BDAKNGLRSA-N 0 0 197.278 2.310 10 0 AEAERN CC(C)(O)c1ccc(O)cc1Cl 258181826 573925505 /nfs/dbraw/zinc/92/55/05/573925505.db2.gz WQBRCUNMMUXJGE-UHFFFAOYSA-N 0 0 186.638 2.273 10 0 AEAERN C[C@@H]1CSc2c(CO)cccc2N1 259241319 573925580 /nfs/dbraw/zinc/92/55/80/573925580.db2.gz NCXPXGYIXJNFKW-SSDOTTSWSA-N 0 0 195.287 2.085 10 0 AEAERN CCC/C(=C/CO)CC 238188102 573925615 /nfs/dbraw/zinc/92/56/15/573925615.db2.gz HFYAZIFXUFPGGE-SOFGYWHQSA-N 0 0 128.215 2.115 10 0 AEAERN COc1cc(F)c(C)cc1[C@H](C)O 258181835 573925655 /nfs/dbraw/zinc/92/56/55/573925655.db2.gz WQDVSVCPEKXBFM-ZETCQYMHSA-N 0 0 184.210 2.196 10 0 AEAERN C[C@@H]1CNc2c1cccc2C(C)(C)O 258182311 573925660 /nfs/dbraw/zinc/92/56/60/573925660.db2.gz SSFBEMNSXLTCFZ-MRVPVSSYSA-N 0 0 191.274 2.443 10 0 AEAERN C[C@H]1NC(=O)C[C@@H]1CC1CCCCC1 87474636 573925672 /nfs/dbraw/zinc/92/56/72/573925672.db2.gz FELRPMUVZSJPCN-KOLCDFICSA-N 0 0 195.306 2.481 10 0 AEAERN Cc1cc(F)c(C)c(CNO)c1F 258181621 573925688 /nfs/dbraw/zinc/92/56/88/573925688.db2.gz WNZWWPAPZCNBBD-UHFFFAOYSA-N 0 0 187.189 2.060 10 0 AEAERN CC(C)(C)Cc1nc(C=O)co1 257901584 573926358 /nfs/dbraw/zinc/92/63/58/573926358.db2.gz BUHCPHJQNDADNI-UHFFFAOYSA-N 0 0 167.208 2.076 10 0 AEAERN Cc1c(N)n[nH]c1[C@@H]1C[C@H]2CC[C@@H]1C2 42175213 573925730 /nfs/dbraw/zinc/92/57/30/573925730.db2.gz OFCXQPCTYMXFPS-DJLDLDEBSA-N 0 0 191.278 2.204 10 0 AEAERN CC(C)Oc1cccc2c[nH]nc12 223565462 573925777 /nfs/dbraw/zinc/92/57/77/573925777.db2.gz LQANHSQHTZYPOT-UHFFFAOYSA-N 0 0 176.219 2.350 10 0 AEAERN CC(C)[C@H]1C2CCC(CC2)[C@H]1C(N)=O 238187701 573925803 /nfs/dbraw/zinc/92/58/03/573925803.db2.gz VRPUEXQBTJSJEJ-WFBLGPOFSA-N 0 0 195.306 2.180 10 0 AEAERN CC(C)c1nn(C)c2nc(F)ccc12 238187603 573925808 /nfs/dbraw/zinc/92/58/08/573925808.db2.gz YQSMWRHFSQFILD-UHFFFAOYSA-N 0 0 193.225 2.231 10 0 AEAERN C[C@H]1CCC[C@]1(O)c1ccco1 84902344 573925824 /nfs/dbraw/zinc/92/58/24/573925824.db2.gz MBUKGTIGINCTAC-WCBMZHEXSA-N 0 0 166.220 2.287 10 0 AEAERN C[C@@H]1C[C@@]1(O)Cc1ccc(F)cc1F 87467190 573925868 /nfs/dbraw/zinc/92/58/68/573925868.db2.gz FJFUMHWATSCNKK-RDDDGLTNSA-N 0 0 198.212 2.278 10 0 AEAERN C[C@H]1CCC[C@]1(O)C(F)(F)F 84902393 573925916 /nfs/dbraw/zinc/92/59/16/573925916.db2.gz PNYAVEQPQRZYPR-NTSWFWBYSA-N 0 0 168.158 2.100 10 0 AEAERN Cc1cc(N)cnc1O[C@H](C)C(C)C 87467740 573925965 /nfs/dbraw/zinc/92/59/65/573925965.db2.gz STHNIPVJKXXCBJ-SECBINFHSA-N 0 0 194.278 2.396 10 0 AEAERN CC(=O)[C@@]12CC[C@@H]1C2(C)C 238189138 573925967 /nfs/dbraw/zinc/92/59/67/573925967.db2.gz NUGILBIBEFHHKN-APPZFPTMSA-N 0 0 138.210 2.012 10 0 AEAERN C[C@@H]1CCC[C@]1(O)C(F)(F)F 84902391 573925973 /nfs/dbraw/zinc/92/59/73/573925973.db2.gz PNYAVEQPQRZYPR-PHDIDXHHSA-N 0 0 168.158 2.100 10 0 AEAERN CCCC[S@](=O)c1ccccc1N 42194232 573926018 /nfs/dbraw/zinc/92/60/18/573926018.db2.gz FVIXFNLOJPBYBO-CYBMUJFWSA-N 0 0 197.303 2.177 10 0 AEAERN CC1(C)CC(C)(C)N(Cl)C(=O)N1 238187436 573926064 /nfs/dbraw/zinc/92/60/64/573926064.db2.gz QAAXXPGKHIKBSA-UHFFFAOYSA-N 0 0 190.674 2.113 10 0 AEAERN CC1=NC2(CCCC2)NC(C)(C)C1 238187579 573926150 /nfs/dbraw/zinc/92/61/50/573926150.db2.gz VMBMXWREYWFHQS-UHFFFAOYSA-N 0 0 180.295 2.490 10 0 AEAERN CC(C)[C@H](C)Oc1ncccc1N 87467532 573926229 /nfs/dbraw/zinc/92/62/29/573926229.db2.gz RESMEGBTIUCEPR-QMMMGPOBSA-N 0 0 180.251 2.087 10 0 AEAERN Cc1ccncc1[C@H](O)[C@@H]1CC1(C)C 235812658 573926230 /nfs/dbraw/zinc/92/62/30/573926230.db2.gz UMJDSNLPSNZKSM-QWRGUYRKSA-N 0 0 191.274 2.470 10 0 AEAERN CSc1ccc(O)c([C@H](C)CO)c1 258182994 573926240 /nfs/dbraw/zinc/92/62/40/573926240.db2.gz RBFIRBKQAOZXOT-SSDOTTSWSA-N 0 0 198.287 2.210 10 0 AEAERN Cc1nc([C@H]2C[C@H]3CC[C@@H]2C3)n[nH]1 42175610 573926289 /nfs/dbraw/zinc/92/62/89/573926289.db2.gz HJLUUYCXCUXSRW-YIZRAAEISA-N 0 0 177.251 2.017 10 0 AEAERN Cc1cc(F)ccc1C(=O)C(C)(C)O 235809966 573926367 /nfs/dbraw/zinc/92/63/67/573926367.db2.gz VXYDJNNYDCLSAV-UHFFFAOYSA-N 0 0 196.221 2.088 10 0 AEAERN CCc1nc([C@H]2C[C@H]3CC[C@@H]2C3)n[nH]1 42175614 573927223 /nfs/dbraw/zinc/92/72/23/573927223.db2.gz FJCYVOUBLLEXEA-YIZRAAEISA-N 0 0 191.278 2.271 10 0 AEAERN Cc1c(N)n[nH]c1[C@H]1C[C@H]2CC[C@@H]1C2 42175215 573927239 /nfs/dbraw/zinc/92/72/39/573927239.db2.gz OFCXQPCTYMXFPS-YIZRAAEISA-N 0 0 191.278 2.204 10 0 AEAERN Cn1nccc1-c1cccc(F)c1 259241730 573927270 /nfs/dbraw/zinc/92/72/70/573927270.db2.gz MXYHLSGYUNVWLU-UHFFFAOYSA-N 0 0 176.194 2.226 10 0 AEAERN C[C@@H](O)Cc1cc2ccoc2cc1F 258181884 573927366 /nfs/dbraw/zinc/92/73/66/573927366.db2.gz WQMGGIUZEQJQHQ-SSDOTTSWSA-N 0 0 194.205 2.495 10 0 AEAERN C[C@H]1C[C@]1(O)Cc1ccc(F)cc1F 87467189 573927313 /nfs/dbraw/zinc/92/73/13/573927313.db2.gz FJFUMHWATSCNKK-CPCISQLKSA-N 0 0 198.212 2.278 10 0 AEAERN OC[C@@H]1CC(CC2CCCCC2)=NO1 87474361 573927344 /nfs/dbraw/zinc/92/73/44/573927344.db2.gz HHSSOVVKRLAXLL-NSHDSACASA-N 0 0 197.278 2.094 10 0 AEAERN CC(C)[C@@H](C)Oc1ccc(N)cn1 87467555 573927373 /nfs/dbraw/zinc/92/73/73/573927373.db2.gz FZMRSECVHONWHK-MRVPVSSYSA-N 0 0 180.251 2.087 10 0 AEAERN Cc1cnc(O[C@H](C)C(C)C)c(N)c1 87467568 573927397 /nfs/dbraw/zinc/92/73/97/573927397.db2.gz RFDNYLFBOIBYMY-SECBINFHSA-N 0 0 194.278 2.396 10 0 AEAERN CC1=C(C)[C@H]2C=CC=C[C@@H]1C2=O 238200372 573927429 /nfs/dbraw/zinc/92/74/29/573927429.db2.gz MBUMRDJLKNYINK-AOOOYVTPSA-N 0 0 160.216 2.264 10 0 AEAERN Cc1c([C@@H]2C[C@H]3CC[C@@H]2C3)noc1N 42175480 573927438 /nfs/dbraw/zinc/92/74/38/573927438.db2.gz LNEXZOFJLYUJMP-DJLDLDEBSA-N 0 0 192.262 2.469 10 0 AEAERN CC(C)[C@@H](C)O[C@H]1CC(=O)C1(C)C 87471113 573928510 /nfs/dbraw/zinc/92/85/10/573928510.db2.gz SORPEQDQDQKCJN-SCZZXKLOSA-N 0 0 184.279 2.415 10 0 AEAERN CCOC(=O)CNc1sccc1C 259012722 573927495 /nfs/dbraw/zinc/92/74/95/573927495.db2.gz GKWGMQGXAYMHKR-UHFFFAOYSA-N 0 0 199.275 2.032 10 0 AEAERN Cc1ccnc(O[C@H](C)C(C)C)c1N 87467524 573927551 /nfs/dbraw/zinc/92/75/51/573927551.db2.gz ULSAOYPHIIYOGB-SECBINFHSA-N 0 0 194.278 2.396 10 0 AEAERN Cc1sccc1C(=O)[C@H](O)C1CC1 235809207 573927578 /nfs/dbraw/zinc/92/75/78/573927578.db2.gz JJEIWMPCJHTUKK-SECBINFHSA-N 0 0 196.271 2.010 10 0 AEAERN CC(C)[C@H](C)O[C@H]1CC(=O)C1(C)C 87471114 573927599 /nfs/dbraw/zinc/92/75/99/573927599.db2.gz SORPEQDQDQKCJN-WPRPVWTQSA-N 0 0 184.279 2.415 10 0 AEAERN C[C@@H]1C[C@]1(CO)c1cc(F)ccc1F 259011832 573927682 /nfs/dbraw/zinc/92/76/82/573927682.db2.gz OFRIAACORYACJG-RDDDGLTNSA-N 0 0 198.212 2.235 10 0 AEAERN OC1CCC(Cc2ccc[nH]2)CC1 259241978 573927692 /nfs/dbraw/zinc/92/76/92/573927692.db2.gz VUHGTOWPCIXJPP-UHFFFAOYSA-N 0 0 179.263 2.108 10 0 AEAERN C[C@@H]1C[C@]1(O)Cc1ccc(F)cc1F 87467188 573927693 /nfs/dbraw/zinc/92/76/93/573927693.db2.gz FJFUMHWATSCNKK-HQJQHLMTSA-N 0 0 198.212 2.278 10 0 AEAERN OC[C@H]1CCO[C@@H]1CC1CCCCC1 87475138 573927713 /nfs/dbraw/zinc/92/77/13/573927713.db2.gz QFQOMZLBSXMPLC-VXGBXAGGSA-N 0 0 198.306 2.354 10 0 AEAERN Cc1cccc(C2(O)CC2)c1F 84931389 573927721 /nfs/dbraw/zinc/92/77/21/573927721.db2.gz JKCFBICIFUZFKQ-UHFFFAOYSA-N 0 0 166.195 2.116 10 0 AEAERN COCCC[C@@H](O)C(C1CC1)C1CC1 308464541 573927739 /nfs/dbraw/zinc/92/77/39/573927739.db2.gz HHFWWVVIHPXINO-LLVKDONJSA-N 0 0 198.306 2.210 10 0 AEAERN O=C1NC[C@H](CC2CCCCC2)O1 87474556 573927749 /nfs/dbraw/zinc/92/77/49/573927749.db2.gz CFHXFNSASXENBX-VIFPVBQESA-N 0 0 183.251 2.065 10 0 AEAERN Nc1ccnn1CCC1CCCCC1 87473483 573927760 /nfs/dbraw/zinc/92/77/60/573927760.db2.gz VPKKNZRUTFPLAT-UHFFFAOYSA-N 0 0 193.294 2.436 10 0 AEAERN Cc1c([C@H]2C[C@H]3CC[C@@H]2C3)noc1N 42175483 573927768 /nfs/dbraw/zinc/92/77/68/573927768.db2.gz LNEXZOFJLYUJMP-YIZRAAEISA-N 0 0 192.262 2.469 10 0 AEAERN O=C1C[C@@H](CC2CCCCC2)CN1 87474627 573927788 /nfs/dbraw/zinc/92/77/88/573927788.db2.gz LGSQVNKWCZRVMH-SNVBAGLBSA-N 0 0 181.279 2.093 10 0 AEAERN Cc1ccc(CNO)c(Cl)c1 257961435 573927820 /nfs/dbraw/zinc/92/78/20/573927820.db2.gz GUQCMAIWBDCYLX-UHFFFAOYSA-N 0 0 171.627 2.127 10 0 AEAERN CC(C)[C@H](C)O[C@H]1C[C@H](O)C1(C)C 87471120 573927844 /nfs/dbraw/zinc/92/78/44/573927844.db2.gz KUXOPRHVTGKFCE-GUBZILKMSA-N 0 0 186.295 2.207 10 0 AEAERN Cc1nc(-c2cccc(C)c2F)n[nH]1 84931997 573927851 /nfs/dbraw/zinc/92/78/51/573927851.db2.gz QCJNOPUUAJZDJC-UHFFFAOYSA-N 0 0 191.209 2.228 10 0 AEAERN O=C1C[C@H](CC2CCCCC2)CN1 87474629 573927966 /nfs/dbraw/zinc/92/79/66/573927966.db2.gz LGSQVNKWCZRVMH-JTQLQIEISA-N 0 0 181.279 2.093 10 0 AEAERN CC1(C)CCCC(C)(C)[C@H](O)C1=O 238200022 573928097 /nfs/dbraw/zinc/92/80/97/573928097.db2.gz YMVOVABIDBYTHQ-MRVPVSSYSA-N 0 0 184.279 2.153 10 0 AEAERN Cc1nc([C@@H]2C[C@H]3CC[C@@H]2C3)n[nH]1 42175608 573928104 /nfs/dbraw/zinc/92/81/04/573928104.db2.gz HJLUUYCXCUXSRW-DJLDLDEBSA-N 0 0 177.251 2.017 10 0 AEAERN CC(C)(F)c1cccc(CNO)c1 258181864 573928120 /nfs/dbraw/zinc/92/81/20/573928120.db2.gz WQJPHTDPIZTSIB-UHFFFAOYSA-N 0 0 183.226 2.370 10 0 AEAERN Cc1ccc(C)c(NC(C)(C)CO)c1 259011189 573928178 /nfs/dbraw/zinc/92/81/78/573928178.db2.gz RGMALFFDTZPXMC-UHFFFAOYSA-N 0 0 193.290 2.486 10 0 AEAERN CN(C)c1ccc(Cl)s1 84918530 573928296 /nfs/dbraw/zinc/92/82/96/573928296.db2.gz KIGPPMLEZFXWQN-UHFFFAOYSA-N 0 0 161.657 2.468 10 0 AEAERN C[C@H]1NC(=O)C[C@H]1CC1CCCCC1 87474631 573928307 /nfs/dbraw/zinc/92/83/07/573928307.db2.gz FELRPMUVZSJPCN-MWLCHTKSSA-N 0 0 195.306 2.481 10 0 AEAERN C[C@@H]1CCC[C@@]1(O)c1ccco1 84902346 573928318 /nfs/dbraw/zinc/92/83/18/573928318.db2.gz MBUKGTIGINCTAC-SCZZXKLOSA-N 0 0 166.220 2.287 10 0 AEAERN CC1(C)CC(=O)C[C@]2(CCC[C@H]2O)C1 238199705 573929063 /nfs/dbraw/zinc/92/90/63/573929063.db2.gz UEMSKQNGZCDNCP-ZYHUDNBSSA-N 0 0 196.290 2.297 10 0 AEAERN OC[C@H]1CCO[C@H]1CC1CCCCC1 87475140 573928354 /nfs/dbraw/zinc/92/83/54/573928354.db2.gz QFQOMZLBSXMPLC-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN CC(C)[C@H](C)Oc1ccc(N)cn1 87467556 573928361 /nfs/dbraw/zinc/92/83/61/573928361.db2.gz FZMRSECVHONWHK-QMMMGPOBSA-N 0 0 180.251 2.087 10 0 AEAERN Cc1ccnc(NC[C@H](C)C(C)C)n1 81070268 573928365 /nfs/dbraw/zinc/92/83/65/573928365.db2.gz HCZKAAKFKWRTSB-VIFPVBQESA-N 0 0 193.294 2.489 10 0 AEAERN CC(C)[C@H](C)CNc1ccncn1 81070198 573928458 /nfs/dbraw/zinc/92/84/58/573928458.db2.gz KIWCVOSHDZTROE-SECBINFHSA-N 0 0 179.267 2.181 10 0 AEAERN C[C@@H](CO)[C@@H]1CCc2c(F)cccc21 257901493 573928522 /nfs/dbraw/zinc/92/85/22/573928522.db2.gz YUXLKYISXDQERB-IUCAKERBSA-N 0 0 194.249 2.484 10 0 AEAERN CC1=C(C)C[C@H](CCC(N)=O)CC1 238198537 573928539 /nfs/dbraw/zinc/92/85/39/573928539.db2.gz JEHURLCHWDPRNQ-JTQLQIEISA-N 0 0 181.279 2.388 10 0 AEAERN COc1c(CNO)cccc1[C@H](C)F 258182902 573929890 /nfs/dbraw/zinc/92/98/90/573929890.db2.gz QYXNULOQEKJWPV-ZETCQYMHSA-N 0 0 199.225 2.205 10 0 AEAERN OC[C@H]1CC(CC2CCCCC2)=NO1 87474363 573928586 /nfs/dbraw/zinc/92/85/86/573928586.db2.gz HHSSOVVKRLAXLL-LLVKDONJSA-N 0 0 197.278 2.094 10 0 AEAERN CCO[C@H](CC)C(=O)[C@H](C)CC 131732786 573928602 /nfs/dbraw/zinc/92/86/02/573928602.db2.gz CUZBEFJWIMGETE-RKDXNWHRSA-N 0 0 172.268 2.417 10 0 AEAERN OC[C@@H]1CCO[C@@H]1CC1CCCCC1 87475135 573928619 /nfs/dbraw/zinc/92/86/19/573928619.db2.gz QFQOMZLBSXMPLC-NWDGAFQWSA-N 0 0 198.306 2.354 10 0 AEAERN CC(C)[C@@H](C)Oc1ncccc1N 87467531 573928632 /nfs/dbraw/zinc/92/86/32/573928632.db2.gz RESMEGBTIUCEPR-MRVPVSSYSA-N 0 0 180.251 2.087 10 0 AEAERN CC(C)N1CCc2ccsc2C1=O 238198545 573928677 /nfs/dbraw/zinc/92/86/77/573928677.db2.gz SJFOYYUZNUEBCY-UHFFFAOYSA-N 0 0 195.287 2.155 10 0 AEAERN CCCCC[C@@H]1O[C@@H](O)C[C@H]1C 213830776 573928688 /nfs/dbraw/zinc/92/86/88/573928688.db2.gz XPMYVWDEZUCUKQ-KXUCPTDWSA-N 0 0 172.268 2.310 10 0 AEAERN CC(C)[C@@H](C)CNc1ccncn1 81070197 573928713 /nfs/dbraw/zinc/92/87/13/573928713.db2.gz KIWCVOSHDZTROE-VIFPVBQESA-N 0 0 179.267 2.181 10 0 AEAERN CC1(C)CC(=O)C[C@@]2(CCC[C@H]2O)C1 238199531 573928728 /nfs/dbraw/zinc/92/87/28/573928728.db2.gz UEMSKQNGZCDNCP-PWSUYJOCSA-N 0 0 196.290 2.297 10 0 AEAERN Cc1ccnc(O[C@@H](C)C(C)C)c1N 87467523 573928741 /nfs/dbraw/zinc/92/87/41/573928741.db2.gz ULSAOYPHIIYOGB-VIFPVBQESA-N 0 0 194.278 2.396 10 0 AEAERN Nc1n[nH]cc1-c1ccc(CF)cc1 258181900 573928764 /nfs/dbraw/zinc/92/87/64/573928764.db2.gz WQSNYSROGLATKR-UHFFFAOYSA-N 0 0 191.209 2.128 10 0 AEAERN CC(C)[C@@H](C)O[C@@H]1CC(=O)C1(C)C 87471111 573928773 /nfs/dbraw/zinc/92/87/73/573928773.db2.gz SORPEQDQDQKCJN-PSASIEDQSA-N 0 0 184.279 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CC(C)[C@H](C)O[C@@H]1CC(=O)C1(C)C 87471112 573929194 /nfs/dbraw/zinc/92/91/94/573929194.db2.gz SORPEQDQDQKCJN-WCBMZHEXSA-N 0 0 184.279 2.415 10 0 AEAERN Cc1cc(N)cnc1O[C@@H](C)C(C)C 87467739 573929206 /nfs/dbraw/zinc/92/92/06/573929206.db2.gz STHNIPVJKXXCBJ-VIFPVBQESA-N 0 0 194.278 2.396 10 0 AEAERN CCOc1ccc(NCOC)cc1F 259241211 573929213 /nfs/dbraw/zinc/92/92/13/573929213.db2.gz ZAJFEWLYHJYOGZ-UHFFFAOYSA-N 0 0 199.225 2.240 10 0 AEAERN O=C(Cc1ccc(F)c(F)c1)C1CC1 84932090 573929248 /nfs/dbraw/zinc/92/92/48/573929248.db2.gz UVTNSYRYROZLDV-UHFFFAOYSA-N 0 0 196.196 2.486 10 0 AEAERN CCN1N=CC(=O)C1c1ccccc1 257901551 573929253 /nfs/dbraw/zinc/92/92/53/573929253.db2.gz YVSZCTOCQHBGEW-UHFFFAOYSA-N 0 0 188.230 2.276 10 0 AEAERN C[C@H]1CCC[C@@]1(O)c1ccco1 84902348 573929271 /nfs/dbraw/zinc/92/92/71/573929271.db2.gz MBUKGTIGINCTAC-WPRPVWTQSA-N 0 0 166.220 2.287 10 0 AEAERN CSCCC(=O)c1ccccn1 259241058 573929285 /nfs/dbraw/zinc/92/92/85/573929285.db2.gz SMHLUMTUILEDES-UHFFFAOYSA-N 0 0 181.260 2.017 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/nfs/dbraw/zinc/93/08/45/573930845.db2.gz RWZDNEAYROBLHQ-SECBINFHSA-N 0 0 193.246 2.052 10 0 AEAERN Cc1cn(C)c(CSC(C)C)n1 257908141 573931106 /nfs/dbraw/zinc/93/11/06/573931106.db2.gz PJVWPPJWLFANPU-UHFFFAOYSA-N 0 0 184.308 2.370 10 0 AEAERN CC1(C)CCC=C[C@]1(C)CO 238198772 573931132 /nfs/dbraw/zinc/93/11/32/573931132.db2.gz XYZPAUIPZWUVHT-SNVBAGLBSA-N 0 0 154.253 2.361 10 0 AEAERN CSc1ccc(O)c([C@@H](C)CO)c1 258182995 573931144 /nfs/dbraw/zinc/93/11/44/573931144.db2.gz RBFIRBKQAOZXOT-ZETCQYMHSA-N 0 0 198.287 2.210 10 0 AEAERN Cc1ccc(C2=NC(=O)CS2)o1 259243713 573931812 /nfs/dbraw/zinc/93/18/12/573931812.db2.gz JXHSMVKCZCGTKU-UHFFFAOYSA-N 0 0 181.216 2.417 10 0 AEAERN CSCC[C@H](O)c1ccc(C)o1 259015807 573931364 /nfs/dbraw/zinc/93/13/64/573931364.db2.gz CNNVTMCUMFFRAD-QMMMGPOBSA-N 0 0 186.276 2.375 10 0 AEAERN C[C@@H]1Nc2ccc(F)cc2O[C@H]1C 87504868 573931384 /nfs/dbraw/zinc/93/13/84/573931384.db2.gz RSNHCUAOYHJWND-BQBZGAKWSA-N 0 0 181.210 2.407 10 0 AEAERN C[C@H]1Nc2cc(F)ccc2O[C@@H]1C 87505027 573931494 /nfs/dbraw/zinc/93/14/94/573931494.db2.gz NOALGOVFRGFVJS-RNFRBKRXSA-N 0 0 181.210 2.407 10 0 AEAERN CC1(C)CCC=C[C@@]1(C)CO 238198598 573931542 /nfs/dbraw/zinc/93/15/42/573931542.db2.gz XYZPAUIPZWUVHT-JTQLQIEISA-N 0 0 154.253 2.361 10 0 AEAERN Cc1cccc([C@]2(CO)C[C@H]2C)c1 259015161 573931718 /nfs/dbraw/zinc/93/17/18/573931718.db2.gz OTVUSUFDTPXHQO-PWSUYJOCSA-N 0 0 176.259 2.265 10 0 AEAERN CC1=C(C)C[C@H]2OC=C[C@@H](C1)C2=O 238197259 573932967 /nfs/dbraw/zinc/93/29/67/573932967.db2.gz YGSAYTBBLZPIRO-VHSXEESVSA-N 0 0 178.231 2.214 10 0 AEAERN C[C@@H]1Nc2ccccc2O[C@H]1C 87503791 573932673 /nfs/dbraw/zinc/93/26/73/573932673.db2.gz PEMYOHGTXJAAGK-YUMQZZPRSA-N 0 0 163.220 2.268 10 0 AEAERN C[C@@H]1Nc2ccc(F)cc2O[C@@H]1C 87504873 573932686 /nfs/dbraw/zinc/93/26/86/573932686.db2.gz RSNHCUAOYHJWND-NKWVEPMBSA-N 0 0 181.210 2.407 10 0 AEAERN CC(C)CCC[C@H]1CCC(=O)N1 205362327 573932875 /nfs/dbraw/zinc/93/28/75/573932875.db2.gz XBVHQBIEKKHYBP-VIFPVBQESA-N 0 0 169.268 2.091 10 0 AEAERN CCO[C@@H](CC)C(=O)C(C)C 131742339 573932899 /nfs/dbraw/zinc/93/28/99/573932899.db2.gz ZLLBHNPIXHFWDI-QMMMGPOBSA-N 0 0 158.241 2.027 10 0 AEAERN CCCCOC(=O)c1cscn1 110317457 573934686 /nfs/dbraw/zinc/93/46/86/573934686.db2.gz FYOSXMOBOQPNHL-UHFFFAOYSA-N 0 0 185.248 2.100 10 0 AEAERN CC1(C)CCC(O)(CCCO)CC1 238196810 573934691 /nfs/dbraw/zinc/93/46/91/573934691.db2.gz RIBDPHDDVOBPMR-UHFFFAOYSA-N 0 0 186.295 2.090 10 0 AEAERN CO[C@@H]1C[C@H]1[C@@H](O)c1sccc1C 690075698 573934674 /nfs/dbraw/zinc/93/46/74/573934674.db2.gz NSBXNTFROHADAL-IWSPIJDZSA-N 0 0 198.287 2.125 10 0 AEAERN C[C@@H](CO)c1coc(C(C)(C)C)n1 257905004 573934764 /nfs/dbraw/zinc/93/47/64/573934764.db2.gz CCQIESDVIJGMIQ-ZETCQYMHSA-N 0 0 183.251 2.068 10 0 AEAERN CCOC(=O)[C@@H]1CCCC[C@H]1F 259584860 573934791 /nfs/dbraw/zinc/93/47/91/573934791.db2.gz KRIVMNMKSKQQJI-HTQZYQBOSA-N 0 0 174.215 2.078 10 0 AEAERN C[N@H+](CC(=O)C1CCCC1)C1CCC1 127631860 573934963 /nfs/dbraw/zinc/93/49/63/573934963.db2.gz SHADMEHFUFVMQS-UHFFFAOYSA-N 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/nfs/dbraw/zinc/94/88/53/573948853.db2.gz SBFMYXBKJSEQRL-SECBINFHSA-N 0 0 183.276 2.367 10 0 AEAERN CC1(C)CCC(=O)[C@H]2[C@@H]1CCC[C@H]2O 238207162 573950431 /nfs/dbraw/zinc/95/04/31/573950431.db2.gz KOCUNHGFTXEEAW-NGZCFLSTSA-N 0 0 196.290 2.153 10 0 AEAERN CCNc1cc(C)nc(C2(C)CC2)n1 87553691 573948873 /nfs/dbraw/zinc/94/88/73/573948873.db2.gz WEIPDSOKDRUMGQ-UHFFFAOYSA-N 0 0 191.278 2.268 10 0 AEAERN Cc1nc(CCC(C)C)nc(N)c1F 85005450 573948876 /nfs/dbraw/zinc/94/88/76/573948876.db2.gz ZKTOQNCYCBRMIN-UHFFFAOYSA-N 0 0 197.257 2.095 10 0 AEAERN CNc1nc([C@H]2C[C@H]2C)nc(C)c1F 85005616 573948906 /nfs/dbraw/zinc/94/89/06/573948906.db2.gz SXPMPJKUQORGSO-VDTYLAMSSA-N 0 0 195.241 2.089 10 0 AEAERN CC1(C)CC=C([C@@H](O)C2=CCCO2)C1 238205583 573948964 /nfs/dbraw/zinc/94/89/64/573948964.db2.gz YDMXJBIVKHNCJX-LLVKDONJSA-N 0 0 194.274 2.398 10 0 AEAERN CC1(C)CC(c2ccccc2)=N[C@@H]1O 238204454 573948951 /nfs/dbraw/zinc/94/89/51/573948951.db2.gz RLPKCTLHFNQBKU-LLVKDONJSA-N 0 0 189.258 2.224 10 0 AEAERN CCCNc1nc(C)nc(C)c1F 85005739 573948989 /nfs/dbraw/zinc/94/89/89/573948989.db2.gz BAXIFHCOXSGQQP-UHFFFAOYSA-N 0 0 183.230 2.054 10 0 AEAERN COc1ccc(CC2CC2)c(N)c1 257914002 573948992 /nfs/dbraw/zinc/94/89/92/573948992.db2.gz QQXOSZKLGNDJQX-UHFFFAOYSA-N 0 0 177.247 2.230 10 0 AEAERN CC[C@H](C)C(=O)c1cncs1 87572825 573949008 /nfs/dbraw/zinc/94/90/08/573949008.db2.gz TYKWXWNHEHWJBT-LURJTMIESA-N 0 0 169.249 2.372 10 0 AEAERN O=Cc1csc(-c2cncs2)n1 87572286 573950501 /nfs/dbraw/zinc/95/05/01/573950501.db2.gz YMZKOPYUXRZWKL-UHFFFAOYSA-N 0 0 196.256 2.079 10 0 AEAERN CC1(c2nsc(Cl)n2)CC1 87554277 573949090 /nfs/dbraw/zinc/94/90/90/573949090.db2.gz PGIKAEQOLYIBLC-UHFFFAOYSA-N 0 0 174.656 2.243 10 0 AEAERN CCC1([C@H]2NC(=O)[C@@]2(C)CC)CCC1 686132390 573949094 /nfs/dbraw/zinc/94/90/94/573949094.db2.gz JHJTUSASMIHABF-ONGXEEELSA-N 0 0 195.306 2.481 10 0 AEAERN CC(C)C(=O)n1ncc2ccccc21 238205174 573949105 /nfs/dbraw/zinc/94/91/05/573949105.db2.gz CXVKUBVWIYMPNT-UHFFFAOYSA-N 0 0 188.230 2.333 10 0 AEAERN CCC1([C@@H]2NC(=O)[C@@]2(C)CC)CCC1 686132386 573949129 /nfs/dbraw/zinc/94/91/29/573949129.db2.gz JHJTUSASMIHABF-KOLCDFICSA-N 0 0 195.306 2.481 10 0 AEAERN CC1(C)CCCC[C@]1(C)C(N)=O 238204785 573949154 /nfs/dbraw/zinc/94/91/54/573949154.db2.gz NQNBENYDVCGOSN-SNVBAGLBSA-N 0 0 169.268 2.078 10 0 AEAERN C[C@H]1C[C@H](C)CCN1C(=O)C1CC1 81561178 573949200 /nfs/dbraw/zinc/94/92/00/573949200.db2.gz ZLNCSADYBYZFRL-BDAKNGLRSA-N 0 0 181.279 2.043 10 0 AEAERN C[C@@H](O)c1cnc(C2(C)CC2)s1 87553631 573949256 /nfs/dbraw/zinc/94/92/56/573949256.db2.gz APEXMYMSNAPSIA-ZCFIWIBFSA-N 0 0 183.276 2.248 10 0 AEAERN Nc1cncc([C@H]2CCCSC2)c1 258186811 573949261 /nfs/dbraw/zinc/94/92/61/573949261.db2.gz VONRCSDLNHVTGG-QMMMGPOBSA-N 0 0 194.303 2.274 10 0 AEAERN CCC[C@@H](NC(N)=O)c1cccs1 42394479 573950443 /nfs/dbraw/zinc/95/04/43/573950443.db2.gz DUICYHMOVFVALW-SSDOTTSWSA-N 0 0 198.291 2.258 10 0 AEAERN CC(C)C1([C@@H]([NH3+])C(F)F)CCC1 686129839 573949292 /nfs/dbraw/zinc/94/92/92/573949292.db2.gz DTAOJCAGKDMOKF-ZETCQYMHSA-N 0 0 177.238 2.405 10 0 AEAERN C[C@@H](O)Cc1ccc2ncccc2c1 258186902 573949329 /nfs/dbraw/zinc/94/93/29/573949329.db2.gz WZZYTKGTNPRAFH-SECBINFHSA-N 0 0 187.242 2.158 10 0 AEAERN CSc1cccc(F)c1CNO 258186886 573949338 /nfs/dbraw/zinc/94/93/38/573949338.db2.gz WZXDUKNNWXPQGS-UHFFFAOYSA-N 0 0 187.239 2.026 10 0 AEAERN COC[C@H](O)C(C1CCC1)C1CCC1 308471909 573949365 /nfs/dbraw/zinc/94/93/65/573949365.db2.gz JPFNLWSVRGSNMV-NSHDSACASA-N 0 0 198.306 2.210 10 0 AEAERN Cc1ccc([C@@H](C)CO)c(O)c1C 257913721 573949368 /nfs/dbraw/zinc/94/93/68/573949368.db2.gz BFTOROPQIGPSKZ-QMMMGPOBSA-N 0 0 180.247 2.105 10 0 AEAERN Cc1nc(CC(C)(C)C)nc(N)c1F 85005398 573949391 /nfs/dbraw/zinc/94/93/91/573949391.db2.gz OQZHIZQRFLBZQH-UHFFFAOYSA-N 0 0 197.257 2.095 10 0 AEAERN C[C@H](O)Cc1ccc2ncccc2c1 258186904 573949411 /nfs/dbraw/zinc/94/94/11/573949411.db2.gz WZZYTKGTNPRAFH-VIFPVBQESA-N 0 0 187.242 2.158 10 0 AEAERN CC(C)[C@@]1(CO)CC[C@H](C)CC1=O 238205328 573949424 /nfs/dbraw/zinc/94/94/24/573949424.db2.gz OJFWRBPJDOUSCW-ONGXEEELSA-N 0 0 184.279 2.010 10 0 AEAERN CC(C)C[C@H](O)c1cncs1 87573522 573949465 /nfs/dbraw/zinc/94/94/65/573949465.db2.gz DQEZXNNEMYINKA-ZETCQYMHSA-N 0 0 171.265 2.223 10 0 AEAERN O[C@@H](c1cccs1)c1cncs1 87573051 573949543 /nfs/dbraw/zinc/94/95/43/573949543.db2.gz YIHFWFYZABJYFM-QMMMGPOBSA-N 0 0 197.284 2.286 10 0 AEAERN COC(=O)C1(SC(C)C)CCC1 259248724 573949560 /nfs/dbraw/zinc/94/95/60/573949560.db2.gz OSZXFXLQFGXEBS-UHFFFAOYSA-N 0 0 188.292 2.224 10 0 AEAERN Cc1nc(C2CCCC2)nc(N)c1F 85005456 573949574 /nfs/dbraw/zinc/94/95/74/573949574.db2.gz CWIWPIUPCVNPSK-UHFFFAOYSA-N 0 0 195.241 2.164 10 0 AEAERN CC[C@H](C)[C@@H](O)c1cncs1 87573431 573949591 /nfs/dbraw/zinc/94/95/91/573949591.db2.gz XXHOHHIVRHPQHI-POYBYMJQSA-N 0 0 171.265 2.223 10 0 AEAERN CC(C)(C)C(=O)c1cncs1 87572465 573949618 /nfs/dbraw/zinc/94/96/18/573949618.db2.gz IIHDKFWKHGNLKP-UHFFFAOYSA-N 0 0 169.249 2.372 10 0 AEAERN CC[C@H](C)c1nc(C)c(F)c(NC)n1 85005628 573949629 /nfs/dbraw/zinc/94/96/29/573949629.db2.gz AXIFYWCAEJVQRX-LURJTMIESA-N 0 0 197.257 2.479 10 0 AEAERN CCC(=O)N1CC[C@@H](C)C[C@@H]1C 81559440 573949654 /nfs/dbraw/zinc/94/96/54/573949654.db2.gz BKTGNTLQBNCWAJ-BDAKNGLRSA-N 0 0 169.268 2.043 10 0 AEAERN C[C@@H](O)c1cnc([C@H]2CCCS2)o1 257914122 573949657 /nfs/dbraw/zinc/94/96/57/573949657.db2.gz CULSAPVCKDJMKA-HTRCEHHLSA-N 0 0 199.275 2.296 10 0 AEAERN CC(=O)Cc1ccc(C)c(O)c1C 257915300 573949716 /nfs/dbraw/zinc/94/97/16/573949716.db2.gz BHGDPYXTMXPLES-UHFFFAOYSA-N 0 0 178.231 2.141 10 0 AEAERN CC1(C)[C@@H](CO)[C@@H]1Oc1ccccc1 238206941 573950458 /nfs/dbraw/zinc/95/04/58/573950458.db2.gz HGYBEXDIXFXZFL-QWRGUYRKSA-N 0 0 192.258 2.082 10 0 AEAERN O[C@@H](c1ccsc1)c1cncs1 87573115 573949722 /nfs/dbraw/zinc/94/97/22/573949722.db2.gz QHBWLKVCKXLGOL-QMMMGPOBSA-N 0 0 197.284 2.286 10 0 AEAERN CC[C@@H](C)[C@H](O)c1cncs1 87573425 573949728 /nfs/dbraw/zinc/94/97/28/573949728.db2.gz XXHOHHIVRHPQHI-SVRRBLITSA-N 0 0 171.265 2.223 10 0 AEAERN COc1c(SC)cccc1[C@H](C)O 258188361 573950461 /nfs/dbraw/zinc/95/04/61/573950461.db2.gz RLHANYCXNNLZQR-ZETCQYMHSA-N 0 0 198.287 2.470 10 0 AEAERN CC[C@@H](C)c1nc(C)c(F)c(N)n1 85005493 573949905 /nfs/dbraw/zinc/94/99/05/573949905.db2.gz ALINEQBEAWAMHX-RXMQYKEDSA-N 0 0 183.230 2.020 10 0 AEAERN CC(C)(C)Nc1nc(C2(C)CC2)no1 87553934 573949926 /nfs/dbraw/zinc/94/99/26/573949926.db2.gz RRJPPTOGVAOCHC-UHFFFAOYSA-N 0 0 195.266 2.332 10 0 AEAERN CCC1([C@@H]2NC(=O)[C@]2(C)CC)CCC1 686132388 573949958 /nfs/dbraw/zinc/94/99/58/573949958.db2.gz JHJTUSASMIHABF-MWLCHTKSSA-N 0 0 195.306 2.481 10 0 AEAERN CC(C)c1cc(N)nc(C2(C)CC2)n1 87553677 573949986 /nfs/dbraw/zinc/94/99/86/573949986.db2.gz LAAZGXZAFFPOSA-UHFFFAOYSA-N 0 0 191.278 2.234 10 0 AEAERN Cc1ccc(CC2(CO)CCC2)o1 259025805 573950000 /nfs/dbraw/zinc/95/00/00/573950000.db2.gz AUHYYHINFXRNLS-UHFFFAOYSA-N 0 0 180.247 2.293 10 0 AEAERN CC(=O)C(F)(F)C[C@@H]1CCSC1 257907670 573950041 /nfs/dbraw/zinc/95/00/41/573950041.db2.gz ZRCAVKRYEIRPEL-ZETCQYMHSA-N 0 0 194.246 2.354 10 0 AEAERN O[C@@H](CC1CCC1)c1cncs1 87573434 573950054 /nfs/dbraw/zinc/95/00/54/573950054.db2.gz PASOVJIXZMFMCE-QMMMGPOBSA-N 0 0 183.276 2.367 10 0 AEAERN CCC[C@@H](CC)[NH2+]C/C=C(/C)C(=O)[O-] 233286150 573950072 /nfs/dbraw/zinc/95/00/72/573950072.db2.gz RNQMTJHMQFXKSW-UJICNMFASA-N 0 0 199.294 2.186 10 0 AEAERN Cc1cnc(-c2cccc(O)c2)nc1 257914184 573950094 /nfs/dbraw/zinc/95/00/94/573950094.db2.gz QRZNVJIGESENHI-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN CCCC(=O)N1CC[C@@H](C)C[C@@H]1C 81561162 573950109 /nfs/dbraw/zinc/95/01/09/573950109.db2.gz TWVNFFYSBRUIBT-ZJUUUORDSA-N 0 0 183.295 2.434 10 0 AEAERN CCCC[C@@H](O)c1cncs1 87573125 573950115 /nfs/dbraw/zinc/95/01/15/573950115.db2.gz OULXDSHDOGDDGF-SSDOTTSWSA-N 0 0 171.265 2.367 10 0 AEAERN O=Cc1cc2c(cc1F)CCC2 257915327 573950142 /nfs/dbraw/zinc/95/01/42/573950142.db2.gz BIJCURRBGIHKRW-UHFFFAOYSA-N 0 0 164.179 2.127 10 0 AEAERN CC(=O)NCCC1CCC(C)CC1 81559126 573950145 /nfs/dbraw/zinc/95/01/45/573950145.db2.gz DRDIUZANKAFTAR-UHFFFAOYSA-N 0 0 183.295 2.339 10 0 AEAERN COCc1cc2cccc(F)c2n1C 257914998 573950177 /nfs/dbraw/zinc/95/01/77/573950177.db2.gz QKOKQPPFBCVNFX-UHFFFAOYSA-N 0 0 193.221 2.464 10 0 AEAERN CNc1nc(C2(C)CC2)nc(C)c1F 87553755 573950179 /nfs/dbraw/zinc/95/01/79/573950179.db2.gz IEWMBQYDVPXCEY-UHFFFAOYSA-N 0 0 195.241 2.017 10 0 AEAERN CCCC[C@@H](C)NC(=O)C(F)(F)F 81562343 573950248 /nfs/dbraw/zinc/95/02/48/573950248.db2.gz DASMEOVSGLRMHU-ZCFIWIBFSA-N 0 0 197.200 2.244 10 0 AEAERN CC(C)C[C@@H](O)c1cncs1 87573523 573950279 /nfs/dbraw/zinc/95/02/79/573950279.db2.gz DQEZXNNEMYINKA-SSDOTTSWSA-N 0 0 171.265 2.223 10 0 AEAERN CCOC(=O)N1CCC[C@@H](C)[C@H]1C 81559944 573950290 /nfs/dbraw/zinc/95/02/90/573950290.db2.gz NWBQWZRJQZGTTN-RKDXNWHRSA-N 0 0 185.267 2.263 10 0 AEAERN CC(C)[C@@]12CC[C@@H](C)C[C@@H]1OC(=O)N2 238207602 573950317 /nfs/dbraw/zinc/95/03/17/573950317.db2.gz XTFAQULOMFVVIN-YWVKMMECSA-N 0 0 197.278 2.310 10 0 AEAERN C[C@H](O)c1cnc(C2(C)CC2)s1 87553629 573950330 /nfs/dbraw/zinc/95/03/30/573950330.db2.gz APEXMYMSNAPSIA-LURJTMIESA-N 0 0 183.276 2.248 10 0 AEAERN COc1c(SC)cccc1[C@@H](C)O 258188359 573950336 /nfs/dbraw/zinc/95/03/36/573950336.db2.gz RLHANYCXNNLZQR-SSDOTTSWSA-N 0 0 198.287 2.470 10 0 AEAERN Cc1cc(Cl)n(C(C)C)n1 85019107 573950369 /nfs/dbraw/zinc/95/03/69/573950369.db2.gz FZOVJJIFFYMXMN-UHFFFAOYSA-N 0 0 158.632 2.426 10 0 AEAERN CC1=C(CCC(N)=O)CCCC1 238207614 573950373 /nfs/dbraw/zinc/95/03/73/573950373.db2.gz UYWUVWYUOICHLK-UHFFFAOYSA-N 0 0 167.252 2.142 10 0 AEAERN CC(=O)c1csc(C2(C)CC2)n1 87553445 573950558 /nfs/dbraw/zinc/95/05/58/573950558.db2.gz HFAIKUBDDCVOCQ-UHFFFAOYSA-N 0 0 181.260 2.397 10 0 AEAERN Cc1ccc(-c2nc(CO)co2)s1 258188924 573950595 /nfs/dbraw/zinc/95/05/95/573950595.db2.gz SLABATFQLKETHK-UHFFFAOYSA-N 0 0 195.243 2.204 10 0 AEAERN CCCCOCCn1cccc1C=O 45109252 573950597 /nfs/dbraw/zinc/95/05/97/573950597.db2.gz TWDBAWILPUSFDW-UHFFFAOYSA-N 0 0 195.262 2.117 10 0 AEAERN CCCCn1nc2c(c1N)CSC2 238207696 573950599 /nfs/dbraw/zinc/95/05/99/573950599.db2.gz PPEYGPYNSPYMMZ-UHFFFAOYSA-N 0 0 197.307 2.012 10 0 AEAERN CCn1nc(C2CC2)cc1Cl 85019173 573950632 /nfs/dbraw/zinc/95/06/32/573950632.db2.gz PPDGUGRNAZCKJG-UHFFFAOYSA-N 0 0 170.643 2.434 10 0 AEAERN CCOC(=O)N1CCC[C@H](C)[C@H]1C 81559940 573950641 /nfs/dbraw/zinc/95/06/41/573950641.db2.gz NWBQWZRJQZGTTN-DTWKUNHWSA-N 0 0 185.267 2.263 10 0 AEAERN CC(C)[C@@]1([C@@H](C)O)CCC(C)(C)C1=O 238206913 573950663 /nfs/dbraw/zinc/95/06/63/573950663.db2.gz XCGHCAAKZRZKCC-BXKDBHETSA-N 0 0 198.306 2.399 10 0 AEAERN Cc1cc(F)nc(OC(C)C)c1 238208496 573950676 /nfs/dbraw/zinc/95/06/76/573950676.db2.gz FYXPMVJSOHBDHJ-UHFFFAOYSA-N 0 0 169.199 2.316 10 0 AEAERN Cc1cccc2c(=O)c3c([nH]c12)CCC3 42401004 573950700 /nfs/dbraw/zinc/95/07/00/573950700.db2.gz DGZPUDIEABXTRX-UHFFFAOYSA-N 0 0 199.253 2.325 10 0 AEAERN CCOC(=O)N1CCC[C@H](C)[C@@H]1C 81559932 573950746 /nfs/dbraw/zinc/95/07/46/573950746.db2.gz NWBQWZRJQZGTTN-IUCAKERBSA-N 0 0 185.267 2.263 10 0 AEAERN CC(C)[C@]1(C)C[C@H](C)C[C@@H]1O 238208563 573950749 /nfs/dbraw/zinc/95/07/49/573950749.db2.gz UJYXDPGSHXXKCR-UTLUCORTSA-N 0 0 156.269 2.440 10 0 AEAERN CCc1nn(C)c(SC(C)C)c1N 85021449 573950774 /nfs/dbraw/zinc/95/07/74/573950774.db2.gz FSSLBYJCRHGDAJ-UHFFFAOYSA-N 0 0 199.323 2.065 10 0 AEAERN CC(C)[C@@]12CCC[C@@H](C1)C2=O 238207399 573950798 /nfs/dbraw/zinc/95/07/98/573950798.db2.gz LYTVJXZULQYIRK-WCBMZHEXSA-N 0 0 152.237 2.402 10 0 AEAERN CC(C)[C@@]12CC[C@]1(C)C(=O)C2 238208351 573950805 /nfs/dbraw/zinc/95/08/05/573950805.db2.gz WMMSDXAYAHBEBP-ZJUUUORDSA-N 0 0 152.237 2.402 10 0 AEAERN CC[C@@H](C)Nc1c(N)c(C)nn1CC 85022285 573950824 /nfs/dbraw/zinc/95/08/24/573950824.db2.gz RHUHAYPYDRRDTA-SSDOTTSWSA-N 0 0 196.298 2.004 10 0 AEAERN CCc1nn(CC)c(Cl)c1C 85019176 573950847 /nfs/dbraw/zinc/95/08/47/573950847.db2.gz JNHCUZFTGSNFSJ-UHFFFAOYSA-N 0 0 172.659 2.427 10 0 AEAERN CCc1nc2ccc(Cl)nc2[nH]1 145330007 573950892 /nfs/dbraw/zinc/95/08/92/573950892.db2.gz AFCKIZRMWXSPLN-UHFFFAOYSA-N 0 0 181.626 2.174 10 0 AEAERN CC1(C)CCC(=O)c2cccnc21 238207746 573950908 /nfs/dbraw/zinc/95/09/08/573950908.db2.gz QYYFMKBGKBGWBF-UHFFFAOYSA-N 0 0 175.231 2.336 10 0 AEAERN CCc1ccn(C(C)(C)C)n1 85020164 573953104 /nfs/dbraw/zinc/95/31/04/573953104.db2.gz NBQMAOFFHJGYFI-UHFFFAOYSA-N 0 0 152.241 2.201 10 0 AEAERN CCC(=O)N1CC[C@H](C)C[C@H]1C 81559443 573953147 /nfs/dbraw/zinc/95/31/47/573953147.db2.gz BKTGNTLQBNCWAJ-DTWKUNHWSA-N 0 0 169.268 2.043 10 0 AEAERN CC(=O)[C@H](O)C1CCCCCCC1 238206482 573953038 /nfs/dbraw/zinc/95/30/38/573953038.db2.gz ZIYDQGUUZQIURP-NSHDSACASA-N 0 0 184.279 2.297 10 0 AEAERN CCc1cc(C)c(C)c(CCO)c1 257909926 573952571 /nfs/dbraw/zinc/95/25/71/573952571.db2.gz ANFBULYLNBOLLH-UHFFFAOYSA-N 0 0 178.275 2.401 10 0 AEAERN OC1(c2ccc3cnccc3c2)CC1 258030320 573952580 /nfs/dbraw/zinc/95/25/80/573952580.db2.gz IZJBRRNUEVGLDF-UHFFFAOYSA-N 0 0 185.226 2.216 10 0 AEAERN CCCn1nc2c(c1Cl)CCC2 85019201 573952620 /nfs/dbraw/zinc/95/26/20/573952620.db2.gz VJAQLSWZZYLUQW-UHFFFAOYSA-N 0 0 184.670 2.435 10 0 AEAERN C[C@H]1CCN(C(=O)C2CC2)[C@H](C)C1 81561175 573952635 /nfs/dbraw/zinc/95/26/35/573952635.db2.gz ZLNCSADYBYZFRL-DTWKUNHWSA-N 0 0 181.279 2.043 10 0 AEAERN CCCc1ccn(C(C)C)n1 85020277 573953064 /nfs/dbraw/zinc/95/30/64/573953064.db2.gz NAMPWXWHFAAIDM-UHFFFAOYSA-N 0 0 152.241 2.417 10 0 AEAERN O[C@@H](CC1CC1)c1cncc(F)c1 87581561 573952744 /nfs/dbraw/zinc/95/27/44/573952744.db2.gz KVFHFGIHIBEBIQ-JTQLQIEISA-N 0 0 181.210 2.054 10 0 AEAERN C[C@H](O)c1cnc(CC2CC2)s1 87583380 573952770 /nfs/dbraw/zinc/95/27/70/573952770.db2.gz YTUUXSOCZQJHEB-LURJTMIESA-N 0 0 183.276 2.149 10 0 AEAERN CC(C)[C@@]12CCC[C@H]1C(=O)C2 238207484 573952783 /nfs/dbraw/zinc/95/27/83/573952783.db2.gz DYONIPNDAZEARR-WPRPVWTQSA-N 0 0 152.237 2.402 10 0 AEAERN CCn1nc(C(F)F)cc1Cl 85019174 573952788 /nfs/dbraw/zinc/95/27/88/573952788.db2.gz LKHCGVKFLYGXEH-UHFFFAOYSA-N 0 0 180.585 2.494 10 0 AEAERN Nc1cccc2nc(C3CCC3)cn12 257910907 573952805 /nfs/dbraw/zinc/95/28/05/573952805.db2.gz 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238211478 573961240 /nfs/dbraw/zinc/96/12/40/573961240.db2.gz LZNNDMMOJRNBTJ-HTQZYQBOSA-N 0 0 150.221 2.178 10 0 AEAERN CO[C@@H](C)CC(=O)C1CCCC1 127885508 573961253 /nfs/dbraw/zinc/96/12/53/573961253.db2.gz LHWMZLKLEJPZJM-QMMMGPOBSA-N 0 0 170.252 2.171 10 0 AEAERN CCCCC[C@@H](O)Cc1ccc[nH]1 238215591 573961282 /nfs/dbraw/zinc/96/12/82/573961282.db2.gz QKNCSBGKQKLBHP-LLVKDONJSA-N 0 0 181.279 2.498 10 0 AEAERN CC1(C)C=CC[C@@H](CCO)C1 197140949 573961344 /nfs/dbraw/zinc/96/13/44/573961344.db2.gz BMTXTVYTPPFCBF-VIFPVBQESA-N 0 0 154.253 2.361 10 0 AEAERN OC1(CC[C@@H]2CCCS2)CC1 257920602 573961380 /nfs/dbraw/zinc/96/13/80/573961380.db2.gz GFDVBRKESWKWHX-QMMMGPOBSA-N 0 0 172.293 2.187 10 0 AEAERN COc1c(C)c(C)cc(C)c1CON 259587478 573961414 /nfs/dbraw/zinc/96/14/14/573961414.db2.gz YSLMKKHIZRIOOY-UHFFFAOYSA-N 0 0 195.262 2.011 10 0 AEAERN CCCC=C=C(C)[C@@H](C)O 238212516 573961429 /nfs/dbraw/zinc/96/14/29/573961429.db2.gz YXTCQIOEWCMNSX-NHSZFOGYSA-N 0 0 140.226 2.269 10 0 AEAERN CC(C)[C@]1([C@H](C)O)CCC(C)(C)C1=O 238211496 573961513 /nfs/dbraw/zinc/96/15/13/573961513.db2.gz XCGHCAAKZRZKCC-CABZTGNLSA-N 0 0 198.306 2.399 10 0 AEAERN C[C@H]([C@H](O)c1ccccc1)C(C)(C)O 197160164 573961574 /nfs/dbraw/zinc/96/15/74/573961574.db2.gz IRDSOFPGIAHWIS-KOLCDFICSA-N 0 0 194.274 2.127 10 0 AEAERN CCCC[N@@H+](C1CC1)[C@@H](C)CC(=O)[O-] 42490666 573961583 /nfs/dbraw/zinc/96/15/83/573961583.db2.gz KGTAUJDEAIQPCY-VIFPVBQESA-N 0 0 199.294 2.114 10 0 AEAERN CC(C)[C@H](O)CC1(C)CC1 238211816 573961590 /nfs/dbraw/zinc/96/15/90/573961590.db2.gz HIVDRXYXMYUQMO-MRVPVSSYSA-N 0 0 142.242 2.194 10 0 AEAERN Cc1cc(C)c([C@@H]2O[C@@H]2CO)c(C)c1 222825366 573961619 /nfs/dbraw/zinc/96/16/19/573961619.db2.gz MOGBICAEBBMMCM-ZYHUDNBSSA-N 0 0 192.258 2.044 10 0 AEAERN CC(=O)[C@@H](F)Cc1cccc(C)c1 257922311 573961698 /nfs/dbraw/zinc/96/16/98/573961698.db2.gz RQHHUWDRTGFOMG-NSHDSACASA-N 0 0 180.222 2.465 10 0 AEAERN C[C@@H](F)Oc1cccc2c1NCC2 257912993 573961728 /nfs/dbraw/zinc/96/17/28/573961728.db2.gz 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/nfs/dbraw/zinc/96/20/29/573962029.db2.gz DNYSRTIATHRGFA-UHFFFAOYSA-N 0 0 183.214 2.329 10 0 AEAERN CCC(CC)CC(=O)c1cnccn1 127889454 573962045 /nfs/dbraw/zinc/96/20/45/573962045.db2.gz UODBTIQBMJXLKR-UHFFFAOYSA-N 0 0 192.262 2.486 10 0 AEAERN Cc1cc([C@@H](O)c2ccco2)ccn1 235848319 573962048 /nfs/dbraw/zinc/96/20/48/573962048.db2.gz MPOWNHDLCYZSGP-LLVKDONJSA-N 0 0 189.214 2.065 10 0 AEAERN CC/C=C(/C)[C@@H](O)c1ccccn1 238216253 573964209 /nfs/dbraw/zinc/96/42/09/573964209.db2.gz IMXAODAXGLXYMM-DHHDDZJSSA-N 0 0 177.247 2.471 10 0 AEAERN Cc1noc2cccc([C@H](C)CO)c12 258191909 573964235 /nfs/dbraw/zinc/96/42/35/573964235.db2.gz XLCPDADGDPNHMJ-SSDOTTSWSA-N 0 0 191.230 2.232 10 0 AEAERN CC(C)COc1cnsc1 258464255 573964291 /nfs/dbraw/zinc/96/42/91/573964291.db2.gz KRIMTFFRIRZJIO-UHFFFAOYSA-N 0 0 157.238 2.178 10 0 AEAERN C[C@H](O)c1cccc2c1O[C@H](C)CC2 258192109 573964314 /nfs/dbraw/zinc/96/43/14/573964314.db2.gz XPILBFWRWJHJND-BDAKNGLRSA-N 0 0 192.258 2.453 10 0 AEAERN COC(=O)C1(Cc2cccs2)CC1 259029771 573964326 /nfs/dbraw/zinc/96/43/26/573964326.db2.gz BKPWRLRULPWGRE-UHFFFAOYSA-N 0 0 196.271 2.244 10 0 AEAERN CC1(C)CCOc2ncccc21 238216829 573964386 /nfs/dbraw/zinc/96/43/86/573964386.db2.gz FXWCTRYTFISGKU-UHFFFAOYSA-N 0 0 163.220 2.142 10 0 AEAERN CO[C@H](C)c1ccc(C[C@H](C)O)cc1 258191964 573964406 /nfs/dbraw/zinc/96/44/06/573964406.db2.gz XMLGKKJAZBPKAC-VHSXEESVSA-N 0 0 194.274 2.317 10 0 AEAERN Cc1c(N)cc(Cl)c2c1CCO2 82320416 573964501 /nfs/dbraw/zinc/96/45/01/573964501.db2.gz IHXXOYOZDNOWBL-UHFFFAOYSA-N 0 0 183.638 2.166 10 0 AEAERN Cc1nn(C)c2c(Cl)ccc(N)c12 259251138 573964560 /nfs/dbraw/zinc/96/45/60/573964560.db2.gz AMNVCLMMQUBNPE-UHFFFAOYSA-N 0 0 195.653 2.117 10 0 AEAERN CC(C)c1cccc2c1CC(=O)CO2 238219914 573964783 /nfs/dbraw/zinc/96/47/83/573964783.db2.gz MWCVHDBBHJBJKP-UHFFFAOYSA-N 0 0 190.242 2.314 10 0 AEAERN CO[C@@H](C)c1ccc(C[C@@H](C)O)cc1 258191966 573964802 /nfs/dbraw/zinc/96/48/02/573964802.db2.gz XMLGKKJAZBPKAC-ZJUUUORDSA-N 0 0 194.274 2.317 10 0 AEAERN CC(C)CCOCC[C@@H](O)C1CC1 53784738 573964849 /nfs/dbraw/zinc/96/48/49/573964849.db2.gz MFNMPQSYECXRJV-LLVKDONJSA-N 0 0 186.295 2.210 10 0 AEAERN CO[C@H](C)CC(=O)CC1CCC1 127895713 573964911 /nfs/dbraw/zinc/96/49/11/573964911.db2.gz BTJKWJQGMPJICB-MRVPVSSYSA-N 0 0 170.252 2.171 10 0 AEAERN C[C@H]1CCc2cccc([C@H](C)O)c2O1 258192114 573964919 /nfs/dbraw/zinc/96/49/19/573964919.db2.gz XPILBFWRWJHJND-IUCAKERBSA-N 0 0 192.258 2.453 10 0 AEAERN CC(C)(C)C1(Cl)COC1 259030043 573964960 /nfs/dbraw/zinc/96/49/60/573964960.db2.gz GHIQFCRJEINULU-UHFFFAOYSA-N 0 0 148.633 2.040 10 0 AEAERN CN[C@@H](C=C(C)C)c1cscn1 87594599 573964962 /nfs/dbraw/zinc/96/49/62/573964962.db2.gz IANDYBASEIFORV-QMMMGPOBSA-N 0 0 182.292 2.370 10 0 AEAERN CCC(CC)CC(=O)c1ccncn1 127898908 573964967 /nfs/dbraw/zinc/96/49/67/573964967.db2.gz UOFGEOUMVWPXMN-UHFFFAOYSA-N 0 0 192.262 2.486 10 0 AEAERN CN[C@H](C=C(C)C)c1cscn1 87594601 573965041 /nfs/dbraw/zinc/96/50/41/573965041.db2.gz IANDYBASEIFORV-MRVPVSSYSA-N 0 0 182.292 2.370 10 0 AEAERN Cc1c(F)ccc(C2(O)CC2)c1F 258191889 573965050 /nfs/dbraw/zinc/96/50/50/573965050.db2.gz XKRAQSYGHQCHKD-UHFFFAOYSA-N 0 0 184.185 2.255 10 0 AEAERN CC(C)c1cc(O)cc(C2(O)CC2)c1 258191892 573965076 /nfs/dbraw/zinc/96/50/76/573965076.db2.gz XKROYXLOKNBOGF-UHFFFAOYSA-N 0 0 192.258 2.497 10 0 AEAERN CC(/C=C/C(C)C)=C\CO 238218190 573965114 /nfs/dbraw/zinc/96/51/14/573965114.db2.gz OHKWUDWKAGSAPU-HSKKLARCSA-N 0 0 140.226 2.137 10 0 AEAERN CC(C)c1cccc2c1C[C@@H](CO)N2 238219888 573965148 /nfs/dbraw/zinc/96/51/48/573965148.db2.gz QDCODRYRYKANHY-VIFPVBQESA-N 0 0 191.274 2.139 10 0 AEAERN Cc1ccc(-c2cccc(C=O)n2)nc1 238558410 573965504 /nfs/dbraw/zinc/96/55/04/573965504.db2.gz SZNVRRSZCFNYTE-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN CC/C=C/C(=O)Nc1ccccc1O 238218460 573965257 /nfs/dbraw/zinc/96/52/57/573965257.db2.gz SLQGHPVXSBRTHL-FPYGCLRLSA-N 0 0 191.230 2.297 10 0 AEAERN C[C@H]1C[C@@H]([C@@H]2COC[C@@H]2O)CC[C@H]1C 687968155 573965300 /nfs/dbraw/zinc/96/53/00/573965300.db2.gz XYTXAJVLJCFTAP-DGORSVRFSA-N 0 0 198.306 2.066 10 0 AEAERN CN[C@@H](c1ccoc1)c1cscn1 87594845 573965316 /nfs/dbraw/zinc/96/53/16/573965316.db2.gz IORFTXSCLDVQCX-VIFPVBQESA-N 0 0 194.259 2.045 10 0 AEAERN CC(C)c1ccc(C[C@H](C)O)c(O)c1 258192035 573966363 /nfs/dbraw/zinc/96/63/63/573966363.db2.gz XOAVIYKUWCXDAJ-VIFPVBQESA-N 0 0 194.274 2.439 10 0 AEAERN CN[C@H](c1ccoc1)c1cscn1 87594847 573966416 /nfs/dbraw/zinc/96/64/16/573966416.db2.gz IORFTXSCLDVQCX-SECBINFHSA-N 0 0 194.259 2.045 10 0 AEAERN CC(C)[C@H](O)[C@H]1CCC[C@@H](C)C1=O 238219301 573966419 /nfs/dbraw/zinc/96/64/19/573966419.db2.gz FENUQBGVQKYAKI-BBBLOLIVSA-N 0 0 184.279 2.009 10 0 AEAERN O[C@H](c1cscn1)C1CCCC1 87589385 573966464 /nfs/dbraw/zinc/96/64/64/573966464.db2.gz GGNZGCUDMLHPAW-VIFPVBQESA-N 0 0 183.276 2.367 10 0 AEAERN CC(C)(C)C(=O)c1cscn1 87588897 573966477 /nfs/dbraw/zinc/96/64/77/573966477.db2.gz HQFXMGUYDGNDCK-UHFFFAOYSA-N 0 0 169.249 2.372 10 0 AEAERN CC(C)c1ccc(C[C@@H](C)O)c(O)c1 258192033 573966514 /nfs/dbraw/zinc/96/65/14/573966514.db2.gz XOAVIYKUWCXDAJ-SECBINFHSA-N 0 0 194.274 2.439 10 0 AEAERN CCCCC[C@@H]1CCCO[C@@H]1O 238219386 573966577 /nfs/dbraw/zinc/96/65/77/573966577.db2.gz GOBQPHUOOFTXKC-ZJUUUORDSA-N 0 0 172.268 2.312 10 0 AEAERN CC[C@@H](O)CCOCCC(C)C 53784372 573966621 /nfs/dbraw/zinc/96/66/21/573966621.db2.gz UAYCJEHXUORALB-SNVBAGLBSA-N 0 0 174.284 2.210 10 0 AEAERN CC[C@H](C)[C@H](O)c1cscn1 87589318 573966640 /nfs/dbraw/zinc/96/66/40/573966640.db2.gz KMPHKWLNVVSNNC-XPUUQOCRSA-N 0 0 171.265 2.223 10 0 AEAERN OC1(c2ccc3c(c2F)CCC3)CC1 258192005 573966715 /nfs/dbraw/zinc/96/67/15/573966715.db2.gz XNBWAHTTXNCNCR-UHFFFAOYSA-N 0 0 192.233 2.296 10 0 AEAERN CC[C@H](C)C(=O)c1cscn1 87589050 573966723 /nfs/dbraw/zinc/96/67/23/573966723.db2.gz SQDFOORDVFXSSF-LURJTMIESA-N 0 0 169.249 2.372 10 0 AEAERN CC(C)/C=C/[C@@H]1OC(=O)N[C@@H]1C(C)C 238219621 573966742 /nfs/dbraw/zinc/96/67/42/573966742.db2.gz PKNATWDGFOVGDF-FQNVXPIYSA-N 0 0 197.278 2.332 10 0 AEAERN O[C@@H](c1cscn1)C1CCCC1 87589384 573966753 /nfs/dbraw/zinc/96/67/53/573966753.db2.gz GGNZGCUDMLHPAW-SECBINFHSA-N 0 0 183.276 2.367 10 0 AEAERN C[C@@H]1CC[C@H]([C@@H]2COC[C@@H]2O)C[C@H]1C 687968156 573966760 /nfs/dbraw/zinc/96/67/60/573966760.db2.gz XYTXAJVLJCFTAP-GCHJQGSQSA-N 0 0 198.306 2.066 10 0 AEAERN CO[C@@H](C)CC(=O)CC1CCC1 127895471 573966828 /nfs/dbraw/zinc/96/68/28/573966828.db2.gz BTJKWJQGMPJICB-QMMMGPOBSA-N 0 0 170.252 2.171 10 0 AEAERN CO[C@@H](C)c1ccc(C[C@H](C)O)cc1 258191961 573966847 /nfs/dbraw/zinc/96/68/47/573966847.db2.gz XMLGKKJAZBPKAC-UWVGGRQHSA-N 0 0 194.274 2.317 10 0 AEAERN CCNCC(F)(F)c1cccs1 131781607 573966880 /nfs/dbraw/zinc/96/68/80/573966880.db2.gz HTRLUSAMVVHBBU-UHFFFAOYSA-N 0 0 191.246 2.449 10 0 AEAERN CC(C)/C=C/C=C/C=C/CO 238218289 573966897 /nfs/dbraw/zinc/96/68/97/573966897.db2.gz FWRJUHUIEOZHKG-OKWWDJPNSA-N 0 0 152.237 2.303 10 0 AEAERN CC(C)/C=C/[C@@H](O)C1=CCCCO1 238219317 573967005 /nfs/dbraw/zinc/96/70/05/573967005.db2.gz NVBCFIHUADWQGK-VQCYPWCPSA-N 0 0 182.263 2.254 10 0 AEAERN O[C@H](CC1CCC1)c1cscn1 87589321 573967014 /nfs/dbraw/zinc/96/70/14/573967014.db2.gz VPUAWBZPGRRCBQ-SECBINFHSA-N 0 0 183.276 2.367 10 0 AEAERN C[C@H](F)c1ccc(OCCCO)cc1 258190772 573967030 /nfs/dbraw/zinc/96/70/30/573967030.db2.gz VYTUMOFGRWLDHP-VIFPVBQESA-N 0 0 198.237 2.478 10 0 AEAERN COc1ccc2sccc2c1N 82320450 573967047 /nfs/dbraw/zinc/96/70/47/573967047.db2.gz CKQHTLHGGAVSAQ-UHFFFAOYSA-N 0 0 179.244 2.492 10 0 AEAERN O=C(CC1CC1)c1cscn1 87588984 573967048 /nfs/dbraw/zinc/96/70/48/573967048.db2.gz GJVZZGGSMCXPCZ-UHFFFAOYSA-N 0 0 167.233 2.126 10 0 AEAERN C=C=C(C)[C@H](O)/C=C/C(C)C 238219288 573967118 /nfs/dbraw/zinc/96/71/18/573967118.db2.gz GQPUKGCHEIEGAO-VQCYPWCPSA-N 0 0 152.237 2.291 10 0 AEAERN CC1(C)CCC[C@]2(C)OC[C@H](O)C=C12 238218976 573967123 /nfs/dbraw/zinc/96/71/23/573967123.db2.gz WFSBAUWEFWJYIB-SKDRFNHKSA-N 0 0 196.290 2.273 10 0 AEAERN O[C@H](c1ccsc1)c1cscn1 87589186 573967133 /nfs/dbraw/zinc/96/71/33/573967133.db2.gz OTNVEROIQVADJP-MRVPVSSYSA-N 0 0 197.284 2.286 10 0 AEAERN C[C@@H](CO)c1cnc(C2CCC2)o1 258191340 573967192 /nfs/dbraw/zinc/96/71/92/573967192.db2.gz SNMKJVNKEGFURO-ZETCQYMHSA-N 0 0 181.235 2.038 10 0 AEAERN Cn1ncc(Cl)c1C(=O)C1(C)CC1 123222432 573967200 /nfs/dbraw/zinc/96/72/00/573967200.db2.gz QPCIPDJONFDXAZ-UHFFFAOYSA-N 0 0 198.653 2.056 10 0 AEAERN Cc1ccsc1NCC1(CO)CC1 259029071 573968288 /nfs/dbraw/zinc/96/82/88/573968288.db2.gz ZFYCXMHDNRHQGM-UHFFFAOYSA-N 0 0 197.303 2.241 10 0 AEAERN CC(C)C[C@@H](O)c1cscn1 87589086 573968441 /nfs/dbraw/zinc/96/84/41/573968441.db2.gz JIBHONRRDFLAER-MRVPVSSYSA-N 0 0 171.265 2.223 10 0 AEAERN CC(C)/C=C/[C@H](CO)C(C)C 238219961 573968491 /nfs/dbraw/zinc/96/84/91/573968491.db2.gz FSFZJMDNGPXBSO-BRAIEQGRSA-N 0 0 156.269 2.463 10 0 AEAERN CC(C)(C)[C@@H](O)c1cscn1 87589088 573968531 /nfs/dbraw/zinc/96/85/31/573968531.db2.gz FHUBBDPICDIJGB-ZETCQYMHSA-N 0 0 171.265 2.223 10 0 AEAERN CCc1cccc(C)c1NC1COC1 87597240 573968631 /nfs/dbraw/zinc/96/86/31/573968631.db2.gz LIDCMSHMLGSIIA-UHFFFAOYSA-N 0 0 191.274 2.368 10 0 AEAERN Clc1ccnc(-c2cscn2)n1 87588854 573968791 /nfs/dbraw/zinc/96/87/91/573968791.db2.gz GDZCAPQDKLJAFR-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN CC(C)[C@H]1CCC(=O)C[C@H](C)O1 238228369 573968855 /nfs/dbraw/zinc/96/88/55/573968855.db2.gz SPMAACJGHWISEM-WCBMZHEXSA-N 0 0 170.252 2.169 10 0 AEAERN CC1=CC[C@H](C(C)C)C[C@H]1C(N)=O 238227577 573968901 /nfs/dbraw/zinc/96/89/01/573968901.db2.gz JQTBRUWDIJHVGH-VHSXEESVSA-N 0 0 181.279 2.100 10 0 AEAERN CC[C@@H](C)[C@H](O)c1cscn1 87589317 573968903 /nfs/dbraw/zinc/96/89/03/573968903.db2.gz KMPHKWLNVVSNNC-SVRRBLITSA-N 0 0 171.265 2.223 10 0 AEAERN CCN1C[C@H](C)Nc2cccc(O)c21 259253058 573969172 /nfs/dbraw/zinc/96/91/72/573969172.db2.gz NWJAPALVNNUAPS-QMMMGPOBSA-N 0 0 192.262 2.033 10 0 AEAERN CCCCC(=O)[C@H](F)CC 238228495 573968929 /nfs/dbraw/zinc/96/89/29/573968929.db2.gz IAGWCZQCXJDYEY-SSDOTTSWSA-N 0 0 146.205 2.494 10 0 AEAERN CCCCC(=O)[C@H]1CC1(F)F 238228640 573968985 /nfs/dbraw/zinc/96/89/85/573968985.db2.gz 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85278477 574024711 /nfs/dbraw/zinc/02/47/11/574024711.db2.gz QGIFOPRYQFXQAZ-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN C[C@]1([C@H](O)CC2CC2)CCCCO1 87762303 574024740 /nfs/dbraw/zinc/02/47/40/574024740.db2.gz IIESANBKJRFJRA-GHMZBOCLSA-N 0 0 184.279 2.107 10 0 AEAERN Cc1oc(C)c(-c2cc(N)no2)c1C 85278429 574024749 /nfs/dbraw/zinc/02/47/49/574024749.db2.gz FCAKYNOCUUMRKH-UHFFFAOYSA-N 0 0 192.218 2.442 10 0 AEAERN CCC[C@@H](O)[C@]1(C)CCCCO1 87761818 574024750 /nfs/dbraw/zinc/02/47/50/574024750.db2.gz RBDZJWVWVMGLTO-ZJUUUORDSA-N 0 0 172.268 2.107 10 0 AEAERN Nc1cc(-c2cc(F)cc(F)c2)on1 85278450 574024752 /nfs/dbraw/zinc/02/47/52/574024752.db2.gz SERPQYJLOJJUEM-UHFFFAOYSA-N 0 0 196.156 2.202 10 0 AEAERN CC(C)C[C@@H](O)[C@@]1(C)CCCCO1 87761934 574024771 /nfs/dbraw/zinc/02/47/71/574024771.db2.gz BJOLZTCYYXJIEE-GHMZBOCLSA-N 0 0 186.295 2.353 10 0 AEAERN Cc1ccc(-c2onc(N)c2C)o1 85278186 574024777 /nfs/dbraw/zinc/02/47/77/574024777.db2.gz ABGVMNNBGHJDBL-UHFFFAOYSA-N 0 0 178.191 2.134 10 0 AEAERN CC(C)(C)[C@@H](O)[C@]1(C)CCCCO1 87761843 574024781 /nfs/dbraw/zinc/02/47/81/574024781.db2.gz MWSXVICYUVDZND-KOLCDFICSA-N 0 0 186.295 2.353 10 0 AEAERN Nc1nocc1-c1cc(F)cc(F)c1 85279044 574027439 /nfs/dbraw/zinc/02/74/39/574027439.db2.gz VSWRNUFGKCJDFM-UHFFFAOYSA-N 0 0 196.156 2.202 10 0 AEAERN CCc1c(N)noc1[C@@H](C)CC 85278661 574027545 /nfs/dbraw/zinc/02/75/45/574027545.db2.gz BGYJWNHNWQJRNW-LURJTMIESA-N 0 0 168.240 2.333 10 0 AEAERN CC(C)[C@H](C)c1cc(N)no1 85278634 574027461 /nfs/dbraw/zinc/02/74/61/574027461.db2.gz LGTAAKNERNEXRC-LURJTMIESA-N 0 0 154.213 2.016 10 0 AEAERN CC1(C)CC[C@@H](n2nccc2N)C1 87772446 574027475 /nfs/dbraw/zinc/02/74/75/574027475.db2.gz KJQDMKVHDCZFNL-MRVPVSSYSA-N 0 0 179.267 2.217 10 0 AEAERN C[C@H](O)[C@H]1CCC(C)(C)C1 87770883 574027499 /nfs/dbraw/zinc/02/74/99/574027499.db2.gz AHVSTYUAECOMBP-YUMQZZPRSA-N 0 0 142.242 2.194 10 0 AEAERN CC[C@H](C)[C@H](O)[C@]1(C)CCCCO1 87762560 574025642 /nfs/dbraw/zinc/02/56/42/574025642.db2.gz OMYWMIFFTDIHEI-DCAQKATOSA-N 0 0 186.295 2.353 10 0 AEAERN Nc1cc(-c2cccc(F)c2F)on1 85278624 574025682 /nfs/dbraw/zinc/02/56/82/574025682.db2.gz UTIPRSIDNKLWBR-UHFFFAOYSA-N 0 0 196.156 2.202 10 0 AEAERN C[C@]1(C(=O)c2ccoc2)CCCCO1 87761461 574025712 /nfs/dbraw/zinc/02/57/12/574025712.db2.gz CAPHWIMWNIIUMK-LLVKDONJSA-N 0 0 194.230 2.422 10 0 AEAERN CN[C@@]1(C(F)(F)F)CCC[C@@H]1C 85276435 574025738 /nfs/dbraw/zinc/02/57/38/574025738.db2.gz PUNVSHIYKVLASL-BQBZGAKWSA-N 0 0 181.201 2.327 10 0 AEAERN CC(C)CSc1cccc(N)n1 87732026 574025767 /nfs/dbraw/zinc/02/57/67/574025767.db2.gz FXKURJRVSOMNIX-UHFFFAOYSA-N 0 0 182.292 2.412 10 0 AEAERN CC[C@H](C)c1onc(N)c1C 85278085 574025815 /nfs/dbraw/zinc/02/58/15/574025815.db2.gz QNQODSMHGXUXJS-YFKPBYRVSA-N 0 0 154.213 2.079 10 0 AEAERN CNc1nccc(Cl)c1C 104518789 574025833 /nfs/dbraw/zinc/02/58/33/574025833.db2.gz VVPGYZJSJYVZRC-UHFFFAOYSA-N 0 0 156.616 2.085 10 0 AEAERN CO[C@H](C)C[C@@H](O)c1cccs1 128158776 574025835 /nfs/dbraw/zinc/02/58/35/574025835.db2.gz WVQJCSOCAJMTCG-HTQZYQBOSA-N 0 0 186.276 2.207 10 0 AEAERN CO[C@@H](C)C[C@@H](O)c1ccccc1C 128170421 574027520 /nfs/dbraw/zinc/02/75/20/574027520.db2.gz CGKJCYIYIQGPDM-CMPLNLGQSA-N 0 0 194.274 2.453 10 0 AEAERN C[C@]1(C(=O)c2ccco2)CCCCO1 87761685 574025836 /nfs/dbraw/zinc/02/58/36/574025836.db2.gz LUPFXVBJWWMHKB-LLVKDONJSA-N 0 0 194.230 2.422 10 0 AEAERN CO[C@H](C)C[C@@H](O)c1ccccc1C 128169988 574027521 /nfs/dbraw/zinc/02/75/21/574027521.db2.gz CGKJCYIYIQGPDM-ZYHUDNBSSA-N 0 0 194.274 2.453 10 0 AEAERN CCC[C@@H](C)c1cc(N)no1 85278552 574025863 /nfs/dbraw/zinc/02/58/63/574025863.db2.gz BDEAHKZWGAZHLK-ZCFIWIBFSA-N 0 0 154.213 2.160 10 0 AEAERN CCCCOCC[C@H](C)C(C)=O 49263187 574025897 /nfs/dbraw/zinc/02/58/97/574025897.db2.gz CXCHALKEWKOSKK-VIFPVBQESA-N 0 0 172.268 2.418 10 0 AEAERN C[C@@]1([C@H](O)CC2CCC2)CCCCO1 87762331 574025909 /nfs/dbraw/zinc/02/59/09/574025909.db2.gz OSKXUWRXGPNXHN-NEPJUHHUSA-N 0 0 198.306 2.497 10 0 AEAERN CCC(C)(C)Oc1cccc(N)n1 87731610 574025916 /nfs/dbraw/zinc/02/59/16/574025916.db2.gz 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CC[C@@H]1CSC[C@H](C(F)(F)F)N1 85347818 574040539 /nfs/dbraw/zinc/04/05/39/574040539.db2.gz XGRYHLXGMVNICK-PHDIDXHHSA-N 0 0 199.241 2.032 10 0 AEAERN C[C@H]1CCN[C@@H](c2ccccn2)S1 85342299 574040550 /nfs/dbraw/zinc/04/05/50/574040550.db2.gz JMMCSLRGPXGFBY-WCBMZHEXSA-N 0 0 194.303 2.195 10 0 AEAERN CC[C@@H]1CS[C@@H](c2cccnc2)[NH2+]1 85347313 574040650 /nfs/dbraw/zinc/04/06/50/574040650.db2.gz RLVHFXIGXFJHFE-ZJUUUORDSA-N 0 0 194.303 2.195 10 0 AEAERN CC[C@@H]1CS[C@H](c2ccncc2)[NH2+]1 85347214 574040780 /nfs/dbraw/zinc/04/07/80/574040780.db2.gz DBLBAORFBBILEQ-NXEZZACHSA-N 0 0 194.303 2.195 10 0 AEAERN O=C1CCNc2ccc3ncccc3c21 238597864 574040816 /nfs/dbraw/zinc/04/08/16/574040816.db2.gz XCCHXUVABJXIOO-UHFFFAOYSA-N 0 0 198.225 2.233 10 0 AEAERN CC[C@H]1CSC[C@@H](C(F)(F)F)N1 85347823 574040926 /nfs/dbraw/zinc/04/09/26/574040926.db2.gz XGRYHLXGMVNICK-WDSKDSINSA-N 0 0 199.241 2.032 10 0 AEAERN CC[C@H]1CS[C@@H](CCSC)[NH2+]1 85347318 574040931 /nfs/dbraw/zinc/04/09/31/574040931.db2.gz XMFJKPQRWQQWOG-YUMQZZPRSA-N 0 0 191.365 2.181 10 0 AEAERN C[C@H]1CCN[C@H](c2cccnc2)S1 85342372 574040979 /nfs/dbraw/zinc/04/09/79/574040979.db2.gz GQGBRSSDMOTUIG-WPRPVWTQSA-N 0 0 194.303 2.195 10 0 AEAERN CC[C@@H]1CS[C@H](c2cccnc2)[NH2+]1 85347311 574040989 /nfs/dbraw/zinc/04/09/89/574040989.db2.gz RLVHFXIGXFJHFE-NXEZZACHSA-N 0 0 194.303 2.195 10 0 AEAERN C[C@@H]1CCN[C@H](C(F)(F)F)CS1 85343272 574041014 /nfs/dbraw/zinc/04/10/14/574041014.db2.gz GCSUMKOZKRZRLP-RITPCOANSA-N 0 0 199.241 2.032 10 0 AEAERN CC[C@@H]1CS[C@@H](CCSC)[NH2+]1 85347317 574041100 /nfs/dbraw/zinc/04/11/00/574041100.db2.gz XMFJKPQRWQQWOG-SFYZADRCSA-N 0 0 191.365 2.181 10 0 AEAERN CCNc1ncnc(NC)c1C(C)C 87807331 574041122 /nfs/dbraw/zinc/04/11/22/574041122.db2.gz VRXUFPYZGYERCM-UHFFFAOYSA-N 0 0 194.282 2.074 10 0 AEAERN CC[C@@H](C)OCCCCC(N)=S 49583201 574043215 /nfs/dbraw/zinc/04/32/15/574043215.db2.gz QLMGHEWJZZRFHD-MRVPVSSYSA-N 0 0 189.324 2.258 10 0 AEAERN O[C@H](CCC1CC1)C[C@H]1CCCCO1 128248545 574042596 /nfs/dbraw/zinc/04/25/96/574042596.db2.gz SJSMLCMODUMOAT-VXGBXAGGSA-N 0 0 198.306 2.497 10 0 AEAERN O[C@@H](CC1CC1)C[C@@H]1CCCCO1 128291176 574043161 /nfs/dbraw/zinc/04/31/61/574043161.db2.gz KWSYAGYLERBQBT-QWRGUYRKSA-N 0 0 184.279 2.107 10 0 AEAERN CC(C)(Cc1ccccc1F)ON 259295902 574042296 /nfs/dbraw/zinc/04/22/96/574042296.db2.gz BEJYAHXFNLTJLA-UHFFFAOYSA-N 0 0 183.226 2.037 10 0 AEAERN CCCCNc1nc(NC)ncc1C 87807928 574042382 /nfs/dbraw/zinc/04/23/82/574042382.db2.gz WSCRBQXFVPZGHV-UHFFFAOYSA-N 0 0 194.282 2.039 10 0 AEAERN CCCC1=NC(=S)CS1 259295465 574042454 /nfs/dbraw/zinc/04/24/54/574042454.db2.gz MUPQKUACQMZRRI-UHFFFAOYSA-N 0 0 159.279 2.384 10 0 AEAERN Cc1cnn(C[C@]2(C)CC2(C)C)c1N 716984767 574042548 /nfs/dbraw/zinc/04/25/48/574042548.db2.gz HYROUDXRQCLIPM-NSHDSACASA-N 0 0 193.294 2.210 10 0 AEAERN Cc1cc(SCO)ccc1F 259295365 574042745 /nfs/dbraw/zinc/04/27/45/574042745.db2.gz SXXGTNGFCJEHTO-UHFFFAOYSA-N 0 0 172.224 2.176 10 0 AEAERN CC1(C)CS[C@H](c2ccoc2)N1 85349626 574042794 /nfs/dbraw/zinc/04/27/94/574042794.db2.gz XATXLQNZKKJOAU-MRVPVSSYSA-N 0 0 183.276 2.393 10 0 AEAERN O[C@@H](CCC1CC1)C[C@H]1CCCCO1 128249003 574042960 /nfs/dbraw/zinc/04/29/60/574042960.db2.gz SJSMLCMODUMOAT-NWDGAFQWSA-N 0 0 198.306 2.497 10 0 AEAERN CC1(C)CS[C@@H](c2ccco2)N1 85349593 574043040 /nfs/dbraw/zinc/04/30/40/574043040.db2.gz WTWQKGWAYXEWKJ-QMMMGPOBSA-N 0 0 183.276 2.393 10 0 AEAERN O[C@H](CCC1CC1)C[C@@H]1CCCCO1 128248306 574043057 /nfs/dbraw/zinc/04/30/57/574043057.db2.gz SJSMLCMODUMOAT-NEPJUHHUSA-N 0 0 198.306 2.497 10 0 AEAERN CNc1cc(SC(C)C)ncn1 87850908 574046758 /nfs/dbraw/zinc/04/67/58/574046758.db2.gz CBSUXLYSYOTESF-UHFFFAOYSA-N 0 0 183.280 2.019 10 0 AEAERN C[Si](C)(C)c1c(F)cccc1C=O 197959711 574046854 /nfs/dbraw/zinc/04/68/54/574046854.db2.gz IREMQIOSTDEUMK-UHFFFAOYSA-N 0 0 196.297 2.183 10 0 AEAERN CC[C@@H](C)Sc1cncc(NC)n1 87849837 574046872 /nfs/dbraw/zinc/04/68/72/574046872.db2.gz KUZOHSNKTREGEV-SSDOTTSWSA-N 0 0 197.307 2.409 10 0 AEAERN CNc1cncc(SC(C)(C)C)n1 87850064 574046874 /nfs/dbraw/zinc/04/68/74/574046874.db2.gz SAROXTIZCCEZLD-UHFFFAOYSA-N 0 0 197.307 2.409 10 0 AEAERN CCCNc1ncnc(SC)c1C 87851055 574046875 /nfs/dbraw/zinc/04/68/75/574046875.db2.gz QZKYWXNIXHPXIR-UHFFFAOYSA-N 0 0 197.307 2.329 10 0 AEAERN CCCSc1cncc(NC)n1 87850156 574046879 /nfs/dbraw/zinc/04/68/79/574046879.db2.gz FDLZBVPTIGOGEV-UHFFFAOYSA-N 0 0 183.280 2.020 10 0 AEAERN CC[C@@H](C)Oc1cccc(NC)n1 87842168 574046888 /nfs/dbraw/zinc/04/68/88/574046888.db2.gz SPOPXHJWECEQJN-MRVPVSSYSA-N 0 0 180.251 2.301 10 0 AEAERN CC[C@H](C)Sc1ncnc(N)c1C 87849812 574046891 /nfs/dbraw/zinc/04/68/91/574046891.db2.gz KUTOURACJRWCCU-LURJTMIESA-N 0 0 197.307 2.258 10 0 AEAERN CCc1c(N)ncnc1SC(C)C 87850893 574046907 /nfs/dbraw/zinc/04/69/07/574046907.db2.gz AHNNYZFXZHQIBQ-UHFFFAOYSA-N 0 0 197.307 2.122 10 0 AEAERN Cc1noc2ccc(C=O)c(F)c12 259301323 574046951 /nfs/dbraw/zinc/04/69/51/574046951.db2.gz DNXZLXJJOQBSGN-UHFFFAOYSA-N 0 0 179.150 2.088 10 0 AEAERN CNc1ncnc(SC(C)C)c1C 87850923 574046954 /nfs/dbraw/zinc/04/69/54/574046954.db2.gz NWIPWVKNROHIOV-UHFFFAOYSA-N 0 0 197.307 2.327 10 0 AEAERN CNc1cc(SC(C)C)nc(C)n1 87850834 574046956 /nfs/dbraw/zinc/04/69/56/574046956.db2.gz PBOIZDGHFFGEEB-UHFFFAOYSA-N 0 0 197.307 2.327 10 0 AEAERN CNc1nc(C)cc(SC(C)C)n1 87850882 574046964 /nfs/dbraw/zinc/04/69/64/574046964.db2.gz DEYAACBAWKXCML-UHFFFAOYSA-N 0 0 197.307 2.327 10 0 AEAERN Cc1nc(N)cc(SC(C)(C)C)n1 87850080 574046968 /nfs/dbraw/zinc/04/69/68/574046968.db2.gz TVKIUZGURJWBGF-UHFFFAOYSA-N 0 0 197.307 2.258 10 0 AEAERN CCC(C)(C)Oc1cc(NC)ncn1 87840415 574045218 /nfs/dbraw/zinc/04/52/18/574045218.db2.gz MANCAPNBODLOKH-UHFFFAOYSA-N 0 0 195.266 2.086 10 0 AEAERN CC[C@@H](C)Oc1cc(C)nc(NC)n1 87842120 574045222 /nfs/dbraw/zinc/04/52/22/574045222.db2.gz CUWCTNVJQFJJDX-MRVPVSSYSA-N 0 0 195.266 2.004 10 0 AEAERN C[N@@H+]1CC[C@H](c2cccc([S-])c2)C1 259299915 574045268 /nfs/dbraw/zinc/04/52/68/574045268.db2.gz CMZPYLRCJRECEK-JTQLQIEISA-N 0 0 193.315 2.394 10 0 AEAERN CCNc1ncc(C)c(OC(C)C)n1 87841263 574045292 /nfs/dbraw/zinc/04/52/92/574045292.db2.gz TURREPXGEQNFID-UHFFFAOYSA-N 0 0 195.266 2.004 10 0 AEAERN CNc1cc(C(F)(F)F)ccc1N 113161261 574045331 /nfs/dbraw/zinc/04/53/31/574045331.db2.gz RVLXXVBCYMNEID-UHFFFAOYSA-N 0 0 190.168 2.329 10 0 AEAERN CNc1ncc(C)c(OC(C)(C)C)n1 87840258 574045343 /nfs/dbraw/zinc/04/53/43/574045343.db2.gz HZJJOFANWLMLAC-UHFFFAOYSA-N 0 0 195.266 2.004 10 0 AEAERN CC[C@H](C)Oc1cc(C)nc(NC)n1 87842121 574045368 /nfs/dbraw/zinc/04/53/68/574045368.db2.gz CUWCTNVJQFJJDX-QMMMGPOBSA-N 0 0 195.266 2.004 10 0 AEAERN CC[C@H](C)Oc1nc(NC)ncc1C 87842075 574045369 /nfs/dbraw/zinc/04/53/69/574045369.db2.gz QHDAWPHACRACCT-QMMMGPOBSA-N 0 0 195.266 2.004 10 0 AEAERN CCc1nccn1[C@H]1CCCCO1 224174599 574045408 /nfs/dbraw/zinc/04/54/08/574045408.db2.gz UZLJRXSCCQFGHM-SNVBAGLBSA-N 0 0 180.251 2.145 10 0 AEAERN CCOc1ncnc(NC)c1C(C)C 87840881 574045422 /nfs/dbraw/zinc/04/54/22/574045422.db2.gz SFAVYEYCMKAIHJ-UHFFFAOYSA-N 0 0 195.266 2.040 10 0 AEAERN CCNc1ncnc(OC(C)C)c1C 87841306 574045423 /nfs/dbraw/zinc/04/54/23/574045423.db2.gz BTTHILGARONTLQ-UHFFFAOYSA-N 0 0 195.266 2.004 10 0 AEAERN CNc1cccc(OC(C)(C)C)n1 87840307 574045425 /nfs/dbraw/zinc/04/54/25/574045425.db2.gz UPOYOQBTVWFMCM-UHFFFAOYSA-N 0 0 180.251 2.301 10 0 AEAERN CCNc1cc(OC(C)C)nc(C)n1 87841303 574045468 /nfs/dbraw/zinc/04/54/68/574045468.db2.gz AANJNXJJLLSZFT-UHFFFAOYSA-N 0 0 195.266 2.004 10 0 AEAERN COSc1ccc2c(c1)OCO2 259300049 574045469 /nfs/dbraw/zinc/04/54/69/574045469.db2.gz UJVRZERNZFRTMA-UHFFFAOYSA-N 0 0 184.216 2.069 10 0 AEAERN Cc1noc2c(Cl)c(N)ccc12 259301072 574045485 /nfs/dbraw/zinc/04/54/85/574045485.db2.gz DMLKONYFUSCVSU-UHFFFAOYSA-N 0 0 182.610 2.372 10 0 AEAERN C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C 113104923 574045524 /nfs/dbraw/zinc/04/55/24/574045524.db2.gz UIYNLWMFVBFECH-SFYZADRCSA-N 0 0 176.215 2.286 10 0 AEAERN CCc1ccc2cnoc2c1 113101705 574045529 /nfs/dbraw/zinc/04/55/29/574045529.db2.gz XFJIPEFPRHAVNK-UHFFFAOYSA-N 0 0 147.177 2.390 10 0 AEAERN CC[C@@H](C)Oc1ncnc(NC)c1C 87842114 574045542 /nfs/dbraw/zinc/04/55/42/574045542.db2.gz ZBPQYRMUHSMKBV-SSDOTTSWSA-N 0 0 195.266 2.004 10 0 AEAERN Cc1ccc2c(c1)[C@@H](C)[C@@H](O)CC2 259298828 574045581 /nfs/dbraw/zinc/04/55/81/574045581.db2.gz MZZJKTNDFXYRNQ-SKDRFNHKSA-N 0 0 176.259 2.406 10 0 AEAERN CNc1cccc(OC2CCCC2)n1 87840643 574045583 /nfs/dbraw/zinc/04/55/83/574045583.db2.gz WFVBYTISWKUDAY-UHFFFAOYSA-N 0 0 192.262 2.445 10 0 AEAERN CC1=C[C@H](C)[C@@]2(CCCO[C@@H]2O)CC1 113154474 574045584 /nfs/dbraw/zinc/04/55/84/574045584.db2.gz KHOHGFALDJWEMI-SDDRHHMPSA-N 0 0 196.290 2.478 10 0 AEAERN CCNc1cccc(OC(C)C)n1 87841275 574045589 /nfs/dbraw/zinc/04/55/89/574045589.db2.gz ZYQZKBQGWJCENJ-UHFFFAOYSA-N 0 0 180.251 2.301 10 0 AEAERN Cc1ccc2c(c1)[C@H](C)[C@@H](O)CC2 259298824 574045596 /nfs/dbraw/zinc/04/55/96/574045596.db2.gz MZZJKTNDFXYRNQ-CABZTGNLSA-N 0 0 176.259 2.406 10 0 AEAERN Nc1ccccc1-c1ccc[nH]1 113084448 574045613 /nfs/dbraw/zinc/04/56/13/574045613.db2.gz IYBPHJHJVFXVFB-UHFFFAOYSA-N 0 0 158.204 2.264 10 0 AEAERN CNc1cccc(OCC(C)C)n1 87841224 574045627 /nfs/dbraw/zinc/04/56/27/574045627.db2.gz ICAKJSQZDLOSHR-UHFFFAOYSA-N 0 0 180.251 2.158 10 0 AEAERN FCc1nc(Br)cs1 113136475 574045637 /nfs/dbraw/zinc/04/56/37/574045637.db2.gz ITXMLQLOGCJIEI-UHFFFAOYSA-N 0 0 196.044 2.375 10 0 AEAERN C[C@H]1CC1(Cl)Cl 113145565 574045641 /nfs/dbraw/zinc/04/56/41/574045641.db2.gz XHFFDICIGCHDCR-VKHMYHEASA-N 0 0 124.998 2.200 10 0 AEAERN CCOC(=O)[C@@H](C)OC(CC)CC 224142463 574045656 /nfs/dbraw/zinc/04/56/56/574045656.db2.gz BMIGSAYDZJDRFM-MRVPVSSYSA-N 0 0 188.267 2.143 10 0 AEAERN CNc1ncnc(OC(C)(C)C)c1C 87840280 574045672 /nfs/dbraw/zinc/04/56/72/574045672.db2.gz IGWBFFFLIQYNRX-UHFFFAOYSA-N 0 0 195.266 2.004 10 0 AEAERN Cc1ccc2c(c1)[C@H](C)[C@H](O)CC2 259298826 574045743 /nfs/dbraw/zinc/04/57/43/574045743.db2.gz MZZJKTNDFXYRNQ-JOYOIKCWSA-N 0 0 176.259 2.406 10 0 AEAERN C1=CO[C@@]2(C=C1)Cc1ccccc1N2 113089616 574045753 /nfs/dbraw/zinc/04/57/53/574045753.db2.gz UKXKGTGQIITIAB-LBPRGKRZSA-N 0 0 185.226 2.451 10 0 AEAERN Nc1ccc(C2CC2)cc1-n1ccnc1 308833199 574045787 /nfs/dbraw/zinc/04/57/87/574045787.db2.gz VBPGMVSBUQJDHM-UHFFFAOYSA-N 0 0 199.257 2.332 10 0 AEAERN CCCNc1cc(SC)nc(C)n1 87850990 574046792 /nfs/dbraw/zinc/04/67/92/574046792.db2.gz CQLLCIXMIWNKBG-UHFFFAOYSA-N 0 0 197.307 2.329 10 0 AEAERN CS[C@@H]1C(=O)Nc2c(F)cccc21 113155635 574045865 /nfs/dbraw/zinc/04/58/65/574045865.db2.gz LOKRAUWGFLVFID-QMMMGPOBSA-N 0 0 197.234 2.182 10 0 AEAERN c1ccc(SCC2COC2)cc1 259299824 574045910 /nfs/dbraw/zinc/04/59/10/574045910.db2.gz UGDJGVSNBHQLMK-UHFFFAOYSA-N 0 0 180.272 2.425 10 0 AEAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1C(N)=O 113068828 574045939 /nfs/dbraw/zinc/04/59/39/574045939.db2.gz FINKDHKJINNQQW-BBBLOLIVSA-N 0 0 183.295 2.180 10 0 AEAERN CCC(C)(C)Oc1cncc(NC)n1 87840381 574045951 /nfs/dbraw/zinc/04/59/51/574045951.db2.gz JBOPJYJRHYCFCK-UHFFFAOYSA-N 0 0 195.266 2.086 10 0 AEAERN CS[C@H]1C(=O)Nc2c(F)cccc21 113155637 574046000 /nfs/dbraw/zinc/04/60/00/574046000.db2.gz LOKRAUWGFLVFID-MRVPVSSYSA-N 0 0 197.234 2.182 10 0 AEAERN CC[C@H](C)c1ccc(O)c(CO)c1 113148067 574046012 /nfs/dbraw/zinc/04/60/12/574046012.db2.gz QKJILCNUJMAVAE-QMMMGPOBSA-N 0 0 180.247 2.398 10 0 AEAERN CCc1ccc2c[nH]nc2c1 113101708 574046025 /nfs/dbraw/zinc/04/60/25/574046025.db2.gz IQQDHAWQMQYIHN-UHFFFAOYSA-N 0 0 146.193 2.125 10 0 AEAERN CC[C@@H](C)Oc1nc(NC)ncc1C 87842074 574046033 /nfs/dbraw/zinc/04/60/33/574046033.db2.gz QHDAWPHACRACCT-MRVPVSSYSA-N 0 0 195.266 2.004 10 0 AEAERN c1cc(OC2CCC2)ccn1 113064134 574046047 /nfs/dbraw/zinc/04/60/47/574046047.db2.gz ZPGSYNAZZOCMGW-UHFFFAOYSA-N 0 0 149.193 2.013 10 0 AEAERN CC(C)c1cccc(S(C)(=O)=O)c1 113080694 574046065 /nfs/dbraw/zinc/04/60/65/574046065.db2.gz SGPFUCRQUZMQCP-UHFFFAOYSA-N 0 0 198.287 2.214 10 0 AEAERN CCNc1nccc(OC(C)(C)C)n1 87840254 574046083 /nfs/dbraw/zinc/04/60/83/574046083.db2.gz UPGKUGAMIQLOSC-UHFFFAOYSA-N 0 0 195.266 2.086 10 0 AEAERN CC[C@H](C)Oc1ncnc(NC)c1C 87842115 574046108 /nfs/dbraw/zinc/04/61/08/574046108.db2.gz ZBPQYRMUHSMKBV-ZETCQYMHSA-N 0 0 195.266 2.004 10 0 AEAERN CC[C@@H](O)CO[C@H]1CCC[C@@H](C)C1 223927926 574047095 /nfs/dbraw/zinc/04/70/95/574047095.db2.gz PAPZVVPELPTJQC-MXWKQRLJSA-N 0 0 186.295 2.353 10 0 AEAERN C[C@@H]1C(=O)c2ccccc2O[C@@H]1C 113104928 574046113 /nfs/dbraw/zinc/04/61/13/574046113.db2.gz UIYNLWMFVBFECH-JGVFFNPUSA-N 0 0 176.215 2.286 10 0 AEAERN CNc1cc(OC(C)(C)C)nc(C)n1 87840256 574046120 /nfs/dbraw/zinc/04/61/20/574046120.db2.gz AEOIABOXGXHABZ-UHFFFAOYSA-N 0 0 195.266 2.004 10 0 AEAERN Cc1ccc(F)c2c1CCCO2 113195779 574046809 /nfs/dbraw/zinc/04/68/09/574046809.db2.gz LZOZJWGPUDSKFN-UHFFFAOYSA-N 0 0 166.195 2.459 10 0 AEAERN CCSc1ncnc(NC)c1CC 87849963 574046819 /nfs/dbraw/zinc/04/68/19/574046819.db2.gz CFYKUKBCLHFSSR-UHFFFAOYSA-N 0 0 197.307 2.193 10 0 AEAERN CCNc1ncnc(OC)c1C(C)C 87840835 574046266 /nfs/dbraw/zinc/04/62/66/574046266.db2.gz QWCBVQXMVHPNON-UHFFFAOYSA-N 0 0 195.266 2.040 10 0 AEAERN C[C@@H](O)Sc1ccccc1 113112764 574046292 /nfs/dbraw/zinc/04/62/92/574046292.db2.gz XUIZXGCLXPMKRL-ZETCQYMHSA-N 0 0 154.234 2.117 10 0 AEAERN C[N@@H+]1CC[C@@H](c2cccc([S-])c2)C1 259299921 574046296 /nfs/dbraw/zinc/04/62/96/574046296.db2.gz CMZPYLRCJRECEK-SNVBAGLBSA-N 0 0 193.315 2.394 10 0 AEAERN CCCCCCOc1cc(N)ncn1 87840435 574046302 /nfs/dbraw/zinc/04/63/02/574046302.db2.gz FVRDGTQMLOSMEV-UHFFFAOYSA-N 0 0 195.266 2.018 10 0 AEAERN CCCSc1cc(NC)nc(C)n1 87850109 574046824 /nfs/dbraw/zinc/04/68/24/574046824.db2.gz OVTUBHFHSCDPQD-UHFFFAOYSA-N 0 0 197.307 2.329 10 0 AEAERN CCC(C)(C)Oc1ccnc(NC)n1 87840423 574046313 /nfs/dbraw/zinc/04/63/13/574046313.db2.gz LHKGZLHOJUBTLY-UHFFFAOYSA-N 0 0 195.266 2.086 10 0 AEAERN Cc1c(NN)oc2ccccc12 259299573 574046323 /nfs/dbraw/zinc/04/63/23/574046323.db2.gz CJYDFESLLDTRIB-UHFFFAOYSA-N 0 0 162.192 2.027 10 0 AEAERN COc1cc(C=O)cc(C)c1C 113145782 574046335 /nfs/dbraw/zinc/04/63/35/574046335.db2.gz MYBIAEYEKREKIS-UHFFFAOYSA-N 0 0 164.204 2.125 10 0 AEAERN C[C@@H]1Oc2ccccc2C(=O)[C@H]1C 113104926 574046343 /nfs/dbraw/zinc/04/63/43/574046343.db2.gz UIYNLWMFVBFECH-YUMQZZPRSA-N 0 0 176.215 2.286 10 0 AEAERN CC(C)c1ccncc1F 113079403 574046358 /nfs/dbraw/zinc/04/63/58/574046358.db2.gz GKRZKWYQQJJGCZ-UHFFFAOYSA-N 0 0 139.173 2.344 10 0 AEAERN Cc1cc(C2(O)CC2)c(C)c(C)c1O 259300970 574046368 /nfs/dbraw/zinc/04/63/68/574046368.db2.gz CMHHOWCIZQKBTP-UHFFFAOYSA-N 0 0 192.258 2.299 10 0 AEAERN C1=CO[C@]2(C=C1)Cc1ccccc1N2 113089618 574046397 /nfs/dbraw/zinc/04/63/97/574046397.db2.gz UKXKGTGQIITIAB-GFCCVEGCSA-N 0 0 185.226 2.451 10 0 AEAERN CC[C@@H](C)c1ccc(O)c(CO)c1 113148065 574046425 /nfs/dbraw/zinc/04/64/25/574046425.db2.gz QKJILCNUJMAVAE-MRVPVSSYSA-N 0 0 180.247 2.398 10 0 AEAERN CCNc1cncc(OC(C)(C)C)n1 87840267 574046426 /nfs/dbraw/zinc/04/64/26/574046426.db2.gz YCRFJLHLTXDHPF-UHFFFAOYSA-N 0 0 195.266 2.086 10 0 AEAERN Cc1ccc(N2CCCCC2)nc1 113075027 574046427 /nfs/dbraw/zinc/04/64/27/574046427.db2.gz ZDICTLFPOMFOBZ-UHFFFAOYSA-N 0 0 176.263 2.380 10 0 AEAERN CCNc1cc(OC(C)(C)C)ncn1 87840272 574046457 /nfs/dbraw/zinc/04/64/57/574046457.db2.gz NKDVRRAKBXBEMO-UHFFFAOYSA-N 0 0 195.266 2.086 10 0 AEAERN CNc1nc(C)cc(OC(C)(C)C)n1 87840283 574046475 /nfs/dbraw/zinc/04/64/75/574046475.db2.gz RNWTVIKWVGLDDC-UHFFFAOYSA-N 0 0 195.266 2.004 10 0 AEAERN CC1=C[C@H](C)[C@]2(CCCO[C@@H]2O)CC1 113154470 574046505 /nfs/dbraw/zinc/04/65/05/574046505.db2.gz KHOHGFALDJWEMI-SRVKXCTJSA-N 0 0 196.290 2.478 10 0 AEAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1C(N)=O 113068827 574046526 /nfs/dbraw/zinc/04/65/26/574046526.db2.gz FINKDHKJINNQQW-UTLUCORTSA-N 0 0 183.295 2.180 10 0 AEAERN C[C@H](O)Sc1ccccc1 113112766 574046528 /nfs/dbraw/zinc/04/65/28/574046528.db2.gz XUIZXGCLXPMKRL-SSDOTTSWSA-N 0 0 154.234 2.117 10 0 AEAERN COc1cc(OC)c2occc2c1 113163387 574046538 /nfs/dbraw/zinc/04/65/38/574046538.db2.gz BBAMCUINGFEHKE-UHFFFAOYSA-N 0 0 178.187 2.450 10 0 AEAERN CN1CC(C)(C)Nc2cc(O)ccc21 259300955 574046542 /nfs/dbraw/zinc/04/65/42/574046542.db2.gz QRMYFDBBJMYCDQ-UHFFFAOYSA-N 0 0 192.262 2.033 10 0 AEAERN Cc1ccc2c(c1)[C@@H](C)[C@H](O)CC2 259298822 574046543 /nfs/dbraw/zinc/04/65/43/574046543.db2.gz MZZJKTNDFXYRNQ-BXKDBHETSA-N 0 0 176.259 2.406 10 0 AEAERN CC1(C)CC(NC=O)CC(C)(C)C1 113100481 574046545 /nfs/dbraw/zinc/04/65/45/574046545.db2.gz AXOPFVWPARKVEF-UHFFFAOYSA-N 0 0 183.295 2.337 10 0 AEAERN C[C@H]1Oc2ccccc2C(=O)[C@@H]1C 113104925 574046581 /nfs/dbraw/zinc/04/65/81/574046581.db2.gz UIYNLWMFVBFECH-HTQZYQBOSA-N 0 0 176.215 2.286 10 0 AEAERN CC(=O)Nc1cc(C(C)C)ccn1 113079636 574046596 /nfs/dbraw/zinc/04/65/96/574046596.db2.gz JJXGKPNYJHWXSE-UHFFFAOYSA-N 0 0 178.235 2.163 10 0 AEAERN CC(C)(O)Cc1ccc(Cl)cn1 259503227 574046605 /nfs/dbraw/zinc/04/66/05/574046605.db2.gz YXDGLKCRLVGYMK-UHFFFAOYSA-N 0 0 185.654 2.048 10 0 AEAERN Nc1nc2ccc(F)cc2nc1Cl 113163012 574046611 /nfs/dbraw/zinc/04/66/11/574046611.db2.gz FBDKNQSJCOXCAW-UHFFFAOYSA-N 0 0 197.600 2.005 10 0 AEAERN CCCNc1nc(C)cc(SC)n1 87850972 574046648 /nfs/dbraw/zinc/04/66/48/574046648.db2.gz CATZBVJPLCJEPC-UHFFFAOYSA-N 0 0 197.307 2.329 10 0 AEAERN CCNc1cc(SC(C)C)ncn1 87850830 574046666 /nfs/dbraw/zinc/04/66/66/574046666.db2.gz AXHJRMTYOLHVTB-UHFFFAOYSA-N 0 0 197.307 2.409 10 0 AEAERN CNc1nccc(SCC(C)C)n1 87849578 574046684 /nfs/dbraw/zinc/04/66/84/574046684.db2.gz LOOVULCVIVSRQN-UHFFFAOYSA-N 0 0 197.307 2.266 10 0 AEAERN CCCSc1nc(C)nc(N)c1C 87850126 574046685 /nfs/dbraw/zinc/04/66/85/574046685.db2.gz BHDLKGREOQSBKA-UHFFFAOYSA-N 0 0 197.307 2.178 10 0 AEAERN CCNc1cc(SCC)ncn1 87849916 574046690 /nfs/dbraw/zinc/04/66/90/574046690.db2.gz CIYUMGGPFYRSOB-UHFFFAOYSA-N 0 0 183.280 2.020 10 0 AEAERN CNc1ncnc(SC)c1C(C)C 87851009 574046692 /nfs/dbraw/zinc/04/66/92/574046692.db2.gz HCLSXZKNSXWPKN-UHFFFAOYSA-N 0 0 197.307 2.364 10 0 AEAERN CNc1ncc(C)c(SC(C)C)n1 87850868 574046698 /nfs/dbraw/zinc/04/66/98/574046698.db2.gz KJWHTCCQWUKYEO-UHFFFAOYSA-N 0 0 197.307 2.327 10 0 AEAERN CCNc1ncnc(SC)c1CC 87851060 574046700 /nfs/dbraw/zinc/04/67/00/574046700.db2.gz ATHNAMHTORNUAL-UHFFFAOYSA-N 0 0 197.307 2.193 10 0 AEAERN CC[C@@H](C)Sc1cc(NC)ncn1 87849887 574046701 /nfs/dbraw/zinc/04/67/01/574046701.db2.gz IBHZBOIECBUWTG-SSDOTTSWSA-N 0 0 197.307 2.409 10 0 AEAERN CCNc1nc(C)nc(SC)c1C 87850969 574046703 /nfs/dbraw/zinc/04/67/03/574046703.db2.gz VOHFKPHUBFQVPY-UHFFFAOYSA-N 0 0 197.307 2.247 10 0 AEAERN CNc1cc(SC(C)(C)C)ncn1 87850089 574046717 /nfs/dbraw/zinc/04/67/17/574046717.db2.gz SZELIECNIOBJOA-UHFFFAOYSA-N 0 0 197.307 2.409 10 0 AEAERN CCNc1cc(SCC)nc(C)n1 87850006 574046730 /nfs/dbraw/zinc/04/67/30/574046730.db2.gz CZORHGQWXWGNGZ-UHFFFAOYSA-N 0 0 197.307 2.329 10 0 AEAERN Nc1cc(SC2CCCC2)ncn1 87851409 574046834 /nfs/dbraw/zinc/04/68/34/574046834.db2.gz MNPYONGETUJAKV-UHFFFAOYSA-N 0 0 195.291 2.094 10 0 AEAERN CNc1nccc(SC(C)(C)C)n1 87850048 574046744 /nfs/dbraw/zinc/04/67/44/574046744.db2.gz FLWBYYIYDSCZFG-UHFFFAOYSA-N 0 0 197.307 2.409 10 0 AEAERN CCCc1c(NC)ncnc1SC 87851040 574046927 /nfs/dbraw/zinc/04/69/27/574046927.db2.gz QVVJKFPQPUNZCM-UHFFFAOYSA-N 0 0 197.307 2.193 10 0 AEAERN Cc1nc(N)c(C)c(SC(C)C)n1 87850852 574047013 /nfs/dbraw/zinc/04/70/13/574047013.db2.gz ZBFAJBCBXWZWPH-UHFFFAOYSA-N 0 0 197.307 2.176 10 0 AEAERN CCNc1ncnc(SCC)c1C 87849924 574047018 /nfs/dbraw/zinc/04/70/18/574047018.db2.gz FUIOGTRSWNGZIQ-UHFFFAOYSA-N 0 0 197.307 2.329 10 0 AEAERN Cc1nc(N)cc(SCC(C)C)n1 87849610 574047039 /nfs/dbraw/zinc/04/70/39/574047039.db2.gz RHKRGYXYZHMRNA-UHFFFAOYSA-N 0 0 197.307 2.115 10 0 AEAERN COC(=O)c1scc(C)c1C 113240835 574047052 /nfs/dbraw/zinc/04/70/52/574047052.db2.gz MVYRYONHXOTEKE-UHFFFAOYSA-N 0 0 170.233 2.152 10 0 AEAERN Cc1cnc(N)nc1SC(C)(C)C 87850095 574047136 /nfs/dbraw/zinc/04/71/36/574047136.db2.gz JSNPABCVDFOGHV-UHFFFAOYSA-N 0 0 197.307 2.258 10 0 AEAERN Cc1cnc(N)nc1SCC(C)C 87849625 574047142 /nfs/dbraw/zinc/04/71/42/574047142.db2.gz DAUIQMGCCVIFFJ-UHFFFAOYSA-N 0 0 197.307 2.115 10 0 AEAERN CSc1cc(N(C)C)ccc1N 113178802 574047143 /nfs/dbraw/zinc/04/71/43/574047143.db2.gz DZOLLLYVLQWHQV-UHFFFAOYSA-N 0 0 182.292 2.057 10 0 AEAERN CCNc1nc(C)cc(SCC)n1 87849997 574047155 /nfs/dbraw/zinc/04/71/55/574047155.db2.gz DACONBLXYQUOBT-UHFFFAOYSA-N 0 0 197.307 2.329 10 0 AEAERN CC[C@H](C)Sc1cc(NC)ncn1 87849888 574047157 /nfs/dbraw/zinc/04/71/57/574047157.db2.gz IBHZBOIECBUWTG-ZETCQYMHSA-N 0 0 197.307 2.409 10 0 AEAERN CCSc1cccc(NC)n1 87849942 574047159 /nfs/dbraw/zinc/04/71/59/574047159.db2.gz UFGBGRSLSOTJNI-UHFFFAOYSA-N 0 0 168.265 2.235 10 0 AEAERN CC[C@@H](C)Sc1ncnc(N)c1C 87849811 574047171 /nfs/dbraw/zinc/04/71/71/574047171.db2.gz KUTOURACJRWCCU-ZCFIWIBFSA-N 0 0 197.307 2.258 10 0 AEAERN CNc1cncc(SC(C)C)n1 87850881 574047205 /nfs/dbraw/zinc/04/72/05/574047205.db2.gz KGVCBIPKFILLOB-UHFFFAOYSA-N 0 0 183.280 2.019 10 0 AEAERN CC[C@@H]1Oc2ccc(C)cc2C1=O 113208504 574047214 /nfs/dbraw/zinc/04/72/14/574047214.db2.gz NGGIENGLNHZESQ-VIFPVBQESA-N 0 0 176.215 2.349 10 0 AEAERN CCNc1cccc(SC)n1 87850957 574047222 /nfs/dbraw/zinc/04/72/22/574047222.db2.gz IGHXHDRHXYXBDW-UHFFFAOYSA-N 0 0 168.265 2.235 10 0 AEAERN Fc1ccc2c(c1)NCC1(CC1)O2 259301652 574047228 /nfs/dbraw/zinc/04/72/28/574047228.db2.gz QVVCQQICCHQPJX-UHFFFAOYSA-N 0 0 179.194 2.163 10 0 AEAERN CNc1cccc(OC2CCC2)n1 87843010 574047255 /nfs/dbraw/zinc/04/72/55/574047255.db2.gz ITFVJIYGGCHHJI-UHFFFAOYSA-N 0 0 178.235 2.055 10 0 AEAERN CC[C@@H](C)Sc1cc(N)nc(C)n1 87849869 574047257 /nfs/dbraw/zinc/04/72/57/574047257.db2.gz QWGVFDMIOVEYJR-ZCFIWIBFSA-N 0 0 197.307 2.258 10 0 AEAERN CCCSc1nc(NC)ncc1C 87850143 574047263 /nfs/dbraw/zinc/04/72/63/574047263.db2.gz YCGTWGHHVZQCTD-UHFFFAOYSA-N 0 0 197.307 2.329 10 0 AEAERN CCNc1nccc(SCC)n1 87849919 574047267 /nfs/dbraw/zinc/04/72/67/574047267.db2.gz PUTHYJRIXQIPQL-UHFFFAOYSA-N 0 0 183.280 2.020 10 0 AEAERN Nc1nccc(SC2CCCC2)n1 87851449 574047417 /nfs/dbraw/zinc/04/74/17/574047417.db2.gz AHPRTTFPGGQRCY-UHFFFAOYSA-N 0 0 195.291 2.094 10 0 AEAERN CCNc1cccc(OC2CCC2)n1 87842984 574047300 /nfs/dbraw/zinc/04/73/00/574047300.db2.gz WDZUAZIAHTZPCA-UHFFFAOYSA-N 0 0 192.262 2.445 10 0 AEAERN CCCSc1ncnc(NC)c1C 87850200 574047301 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/nfs/dbraw/zinc/04/73/48/574047348.db2.gz YWAPXJBROLNIGF-UHFFFAOYSA-N 0 0 183.280 2.020 10 0 AEAERN Cc1c(N)ncnc1SCC(C)C 87849581 574047375 /nfs/dbraw/zinc/04/73/75/574047375.db2.gz FKDBBVSOTXPGAH-UHFFFAOYSA-N 0 0 197.307 2.115 10 0 AEAERN CC[C@H](C)Sc1nc(N)ncc1C 87849900 574047376 /nfs/dbraw/zinc/04/73/76/574047376.db2.gz OGGBREHQIPBTSK-ZETCQYMHSA-N 0 0 197.307 2.258 10 0 AEAERN CCCNc1cncc(SC)n1 87850971 574047398 /nfs/dbraw/zinc/04/73/98/574047398.db2.gz WPCSZINMGOAHLE-UHFFFAOYSA-N 0 0 183.280 2.020 10 0 AEAERN CCCNc1ncc(C)c(SC)n1 87850997 574047403 /nfs/dbraw/zinc/04/74/03/574047403.db2.gz VPVWKJKCISRICZ-UHFFFAOYSA-N 0 0 197.307 2.329 10 0 AEAERN CC[C@H](C)Sc1cncc(NC)n1 87849838 574047405 /nfs/dbraw/zinc/04/74/05/574047405.db2.gz KUZOHSNKTREGEV-ZETCQYMHSA-N 0 0 197.307 2.409 10 0 AEAERN CC(C)[C@H]1CC[C@@H](C)CC(=O)O1 1850051 574411546 /nfs/dbraw/zinc/41/15/46/574411546.db2.gz GGAXPLCKKANQED-RKDXNWHRSA-N 0 0 170.252 2.374 10 0 endogenous,in-man AEAERN CC(C)[C@H]1CC[C@H](C)CC(=O)O1 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CC(C)=CCNC(=O)N[C@@H]1CC1(C)C 682853508 487073056 /nfs/dbraw/zinc/07/30/56/487073056.db2.gz GYQZLXDRINVDCW-SECBINFHSA-N 0 0 196.294 2.050 10 0 AEAERN CC(C)=CCNC(=O)N(C)CC1CC1 682886827 487073747 /nfs/dbraw/zinc/07/37/47/487073747.db2.gz QFWPNGYLQBPHGB-UHFFFAOYSA-N 0 0 196.294 2.004 10 0 AEAERN CC[C@@H](C)CC(=O)N1CCCCCO1 682940014 487074944 /nfs/dbraw/zinc/07/49/44/487074944.db2.gz DZIWCSLTJWDVQG-SNVBAGLBSA-N 0 0 199.294 2.367 10 0 AEAERN CC[C@H](C)CC(=O)N1CCCCCO1 682940013 487074951 /nfs/dbraw/zinc/07/49/51/487074951.db2.gz DZIWCSLTJWDVQG-JTQLQIEISA-N 0 0 199.294 2.367 10 0 AEAERN CC(C)=CCNC(=O)[C@@H]1C[C@H]1C(C)C 682953853 487076630 /nfs/dbraw/zinc/07/66/30/487076630.db2.gz VXGZXLYSCJNSFL-WDEREUQCSA-N 0 0 195.306 2.361 10 0 AEAERN CC(C)=CCNC(=O)[C@H]1C[C@@H]1C(C)C 682953851 487076683 /nfs/dbraw/zinc/07/66/83/487076683.db2.gz VXGZXLYSCJNSFL-MNOVXSKESA-N 0 0 195.306 2.361 10 0 AEAERN CC(C)=CCNC(=O)[C@H]1C[C@H]1C(C)C 682953852 487076706 /nfs/dbraw/zinc/07/67/06/487076706.db2.gz VXGZXLYSCJNSFL-QWRGUYRKSA-N 0 0 195.306 2.361 10 0 AEAERN CC(C)=CCNC(=O)[C@@H]1C[C@@H]1C(C)C 682953850 487076743 /nfs/dbraw/zinc/07/67/43/487076743.db2.gz VXGZXLYSCJNSFL-GHMZBOCLSA-N 0 0 195.306 2.361 10 0 AEAERN CC(C)C1CC(NCC(F)F)C1 232558883 487083192 /nfs/dbraw/zinc/08/31/92/487083192.db2.gz ZVEGDDOOFDYPLJ-UHFFFAOYSA-N 0 0 177.238 2.276 10 0 AEAERN CNC(=O)CCc1cccc(Cl)c1 232729773 487084179 /nfs/dbraw/zinc/08/41/79/487084179.db2.gz HHRJQBRQRRJLFW-UHFFFAOYSA-N 0 0 197.665 2.019 10 0 AEAERN CC1(CC(=O)NCCCC2CC2)CC1 683189341 487086188 /nfs/dbraw/zinc/08/61/88/487086188.db2.gz JIPWNLHAOGGTET-UHFFFAOYSA-N 0 0 195.306 2.483 10 0 AEAERN CC1(CNC(=O)CC2(C)CC2)CCC1 683192175 487086309 /nfs/dbraw/zinc/08/63/09/487086309.db2.gz KNYXDZADQATMGQ-UHFFFAOYSA-N 0 0 195.306 2.483 10 0 AEAERN CCC(C)(C)CNC(=O)N1CC[C@@H]1C 683216662 487086734 /nfs/dbraw/zinc/08/67/34/487086734.db2.gz HJJHKESSSGIGQN-VIFPVBQESA-N 0 0 198.310 2.226 10 0 AEAERN CCC(C)(C)CNC(=O)N1CC[C@H]1C 683216661 487086882 /nfs/dbraw/zinc/08/68/82/487086882.db2.gz HJJHKESSSGIGQN-SECBINFHSA-N 0 0 198.310 2.226 10 0 AEAERN C[C@H]1C[C@@H]1C(=O)N[C@H]1CC12CCCC2 683253793 487087748 /nfs/dbraw/zinc/08/77/48/487087748.db2.gz JIVSMADJJOERED-GUBZILKMSA-N 0 0 193.290 2.091 10 0 AEAERN CC[C@@H]1CCCC[N@@H+]1Cc1cocn1 683350189 487087817 /nfs/dbraw/zinc/08/78/17/487087817.db2.gz ANNDCFJAGATSHM-LLVKDONJSA-N 0 0 194.278 2.439 10 0 AEAERN CC(C)[C@H]1CCC[N@@H+]1Cc1cocn1 683350242 487087856 /nfs/dbraw/zinc/08/78/56/487087856.db2.gz FBFRUXAEALGIFA-LLVKDONJSA-N 0 0 194.278 2.295 10 0 AEAERN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CC12CCCC2 683253797 487087907 /nfs/dbraw/zinc/08/79/07/487087907.db2.gz JIVSMADJJOERED-UTLUCORTSA-N 0 0 193.290 2.091 10 0 AEAERN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC12CCCC2 683253794 487087936 /nfs/dbraw/zinc/08/79/36/487087936.db2.gz JIVSMADJJOERED-KXUCPTDWSA-N 0 0 193.290 2.091 10 0 AEAERN CN(Cc1cocn1)c1ccccc1 683351204 487087946 /nfs/dbraw/zinc/08/79/46/487087946.db2.gz XDQSOWTWBPUDHB-UHFFFAOYSA-N 0 0 188.230 2.311 10 0 AEAERN CC[N@H+](Cc1cocn1)C1CCCC1 683350613 487087964 /nfs/dbraw/zinc/08/79/64/487087964.db2.gz MRZSRJCSXCJDFU-UHFFFAOYSA-N 0 0 194.278 2.439 10 0 AEAERN O=C(N[C@H]1CC12CCCC2)C1CCC1 683255427 487087988 /nfs/dbraw/zinc/08/79/88/487087988.db2.gz PXCONHFPRASLKZ-JTQLQIEISA-N 0 0 193.290 2.235 10 0 AEAERN CC(C)[N@@H+](Cc1cocn1)CC1CC1 683350830 487088026 /nfs/dbraw/zinc/08/80/26/487088026.db2.gz OKHDLWVVXGZKRP-UHFFFAOYSA-N 0 0 194.278 2.295 10 0 AEAERN CCCCc1cc(NCC)ncn1 233014359 487088041 /nfs/dbraw/zinc/08/80/41/487088041.db2.gz BNLDYFNNVVJZHS-UHFFFAOYSA-N 0 0 179.267 2.251 10 0 AEAERN O=C(N[C@@H]1CC12CCCC2)C1CCC1 683255428 487088049 /nfs/dbraw/zinc/08/80/49/487088049.db2.gz PXCONHFPRASLKZ-SNVBAGLBSA-N 0 0 193.290 2.235 10 0 AEAERN CC[C@H]1CCCC[N@@H+]1Cc1cocn1 683350190 487088061 /nfs/dbraw/zinc/08/80/61/487088061.db2.gz ANNDCFJAGATSHM-NSHDSACASA-N 0 0 194.278 2.439 10 0 AEAERN CC(C)[C@@H]1CCC[N@@H+]1Cc1cocn1 683350243 487088108 /nfs/dbraw/zinc/08/81/08/487088108.db2.gz FBFRUXAEALGIFA-NSHDSACASA-N 0 0 194.278 2.295 10 0 AEAERN C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC12CCCC2 683253796 487088147 /nfs/dbraw/zinc/08/81/47/487088147.db2.gz JIVSMADJJOERED-OPRDCNLKSA-N 0 0 193.290 2.091 10 0 AEAERN C[C@H]1C[C@@H]1C(=O)N[C@@H]1CC12CCCC2 683253795 487088180 /nfs/dbraw/zinc/08/81/80/487088180.db2.gz JIVSMADJJOERED-LPEHRKFASA-N 0 0 193.290 2.091 10 0 AEAERN C[C@H]1C[C@@H](C)C[N@H+](Cc2cocn2)C1 683351219 487088250 /nfs/dbraw/zinc/08/82/50/487088250.db2.gz XFSLLZUMPJUOKB-AOOOYVTPSA-N 0 0 194.278 2.153 10 0 AEAERN C[N@H+](Cc1cocn1)C1CCCCC1 683351109 487088347 /nfs/dbraw/zinc/08/83/47/487088347.db2.gz UKHKQFIOWJKAFS-UHFFFAOYSA-N 0 0 194.278 2.439 10 0 AEAERN C[C@@H]1C[C@H]1C(=O)N[C@H]1CC12CCCC2 683253792 487088422 /nfs/dbraw/zinc/08/84/22/487088422.db2.gz JIVSMADJJOERED-BBBLOLIVSA-N 0 0 193.290 2.091 10 0 AEAERN C[C@H](N(C)Cc1cocn1)C1(C)CC1 683352809 487088768 /nfs/dbraw/zinc/08/87/68/487088768.db2.gz YNQJXMGODNHGRT-VIFPVBQESA-N 0 0 194.278 2.295 10 0 AEAERN C[C@H]1CCCCC[N@@H+]1Cc1cocn1 683351718 487088865 /nfs/dbraw/zinc/08/88/65/487088865.db2.gz MLGOMSFTFNWDCX-JTQLQIEISA-N 0 0 194.278 2.439 10 0 AEAERN CC1(C)CCCN(Cc2cocn2)C1 683353129 487088930 /nfs/dbraw/zinc/08/89/30/487088930.db2.gz UWCQQBSALLAAKV-UHFFFAOYSA-N 0 0 194.278 2.297 10 0 AEAERN C[C@H]1CC[C@@H](C)[N@H+](Cc2cocn2)C1 683351494 487088999 /nfs/dbraw/zinc/08/89/99/487088999.db2.gz GOPMOYWYKUTHST-VHSXEESVSA-N 0 0 194.278 2.295 10 0 AEAERN C[C@H]1CC[C@@H](C)C[N@H+]1Cc1cocn1 683351495 487089076 /nfs/dbraw/zinc/08/90/76/487089076.db2.gz GOPMOYWYKUTHST-ZJUUUORDSA-N 0 0 194.278 2.295 10 0 AEAERN C[C@@H]1CCCCC[N@@H+]1Cc1cocn1 683351719 487089090 /nfs/dbraw/zinc/08/90/90/487089090.db2.gz MLGOMSFTFNWDCX-SNVBAGLBSA-N 0 0 194.278 2.439 10 0 AEAERN CC[C@]1(C)CC[N@H+](Cc2cocn2)C1 683351509 487089125 /nfs/dbraw/zinc/08/91/25/487089125.db2.gz HAICQQPOFZKTDJ-LLVKDONJSA-N 0 0 194.278 2.297 10 0 AEAERN CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cocn1 683352000 487089139 /nfs/dbraw/zinc/08/91/39/487089139.db2.gz UTUSSMLHYMQTQJ-KOLCDFICSA-N 0 0 194.278 2.295 10 0 AEAERN CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cocn1 683352002 487089208 /nfs/dbraw/zinc/08/92/08/487089208.db2.gz UTUSSMLHYMQTQJ-ONGXEEELSA-N 0 0 194.278 2.295 10 0 AEAERN CC(C)[N@H+](Cc1cocn1)C1CCC1 683351993 487089219 /nfs/dbraw/zinc/08/92/19/487089219.db2.gz UQSULHOYBPDBBN-UHFFFAOYSA-N 0 0 194.278 2.438 10 0 AEAERN C[C@H]1CC[C@H](C)[N@H+](Cc2cocn2)C1 683351493 487089259 /nfs/dbraw/zinc/08/92/59/487089259.db2.gz GOPMOYWYKUTHST-UWVGGRQHSA-N 0 0 194.278 2.295 10 0 AEAERN CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cocn1 683352001 487089310 /nfs/dbraw/zinc/08/93/10/487089310.db2.gz UTUSSMLHYMQTQJ-MWLCHTKSSA-N 0 0 194.278 2.295 10 0 AEAERN CC[C@@]1(C)CC[N@H+](Cc2cocn2)C1 683351510 487089328 /nfs/dbraw/zinc/08/93/28/487089328.db2.gz HAICQQPOFZKTDJ-NSHDSACASA-N 0 0 194.278 2.297 10 0 AEAERN C[C@@H](N(C)Cc1cocn1)C1(C)CC1 683352808 487089347 /nfs/dbraw/zinc/08/93/47/487089347.db2.gz YNQJXMGODNHGRT-SECBINFHSA-N 0 0 194.278 2.295 10 0 AEAERN CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cocn1 683351999 487089436 /nfs/dbraw/zinc/08/94/36/487089436.db2.gz UTUSSMLHYMQTQJ-GXSJLCMTSA-N 0 0 194.278 2.295 10 0 AEAERN CCC[C@@H](C)Sc1nccnc1N 233284527 487089481 /nfs/dbraw/zinc/08/94/81/487089481.db2.gz HUCRLHGJZJHZIO-SSDOTTSWSA-N 0 0 197.307 2.340 10 0 AEAERN CCCCN(Cc1cocn1)C1CC1 683351358 487089757 /nfs/dbraw/zinc/08/97/57/487089757.db2.gz YTIDPSLMNPKFQY-UHFFFAOYSA-N 0 0 194.278 2.439 10 0 AEAERN C[C@@H]1CC[C@@H](C)[N@H+](Cc2cocn2)C1 683351492 487089770 /nfs/dbraw/zinc/08/97/70/487089770.db2.gz GOPMOYWYKUTHST-NXEZZACHSA-N 0 0 194.278 2.295 10 0 AEAERN c1nc(CN2CCCC3(CC3)C2)co1 683355528 487090484 /nfs/dbraw/zinc/09/04/84/487090484.db2.gz XFJFOSVBHTVDSR-UHFFFAOYSA-N 0 0 192.262 2.051 10 0 AEAERN CCC[C@H](C)Sc1nccnc1N 233344949 487091643 /nfs/dbraw/zinc/09/16/43/487091643.db2.gz HUCRLHGJZJHZIO-ZETCQYMHSA-N 0 0 197.307 2.340 10 0 AEAERN CCC[C@H]1C[C@H]1Nc1ccc(C)nn1 233433227 487091651 /nfs/dbraw/zinc/09/16/51/487091651.db2.gz ZAMLFOZQSMXQEG-VHSXEESVSA-N 0 0 191.278 2.386 10 0 AEAERN CCC[C@H]1C[C@@H]1Nc1ccc(C)nn1 233439978 487092000 /nfs/dbraw/zinc/09/20/00/487092000.db2.gz ZAMLFOZQSMXQEG-UWVGGRQHSA-N 0 0 191.278 2.386 10 0 AEAERN C[C@H]1C[C@@H]1c1nc([C@H]2CCCO2)no1 683669425 487093669 /nfs/dbraw/zinc/09/36/69/487093669.db2.gz SPOOJCHONWWXLK-BIIVOSGPSA-N 0 0 194.234 2.045 10 0 AEAERN C[C@H]1C[C@@H]1c1nc([C@@H]2CCCO2)no1 683669426 487093843 /nfs/dbraw/zinc/09/38/43/487093843.db2.gz SPOOJCHONWWXLK-FXQIFTODSA-N 0 0 194.234 2.045 10 0 AEAERN C[C@@H](CN1CC(F)C1)c1ccccc1 683708809 487094762 /nfs/dbraw/zinc/09/47/62/487094762.db2.gz QMJXMPGYGLLLPR-JTQLQIEISA-N 0 0 193.265 2.444 10 0 AEAERN CN(Cc1ccon1)CC1(C)CCC1 683699045 487095203 /nfs/dbraw/zinc/09/52/03/487095203.db2.gz IUWCYPYBLLHMNH-UHFFFAOYSA-N 0 0 194.278 2.297 10 0 AEAERN C[C@H](CN1CC(F)C1)c1ccccc1 683708810 487095953 /nfs/dbraw/zinc/09/59/53/487095953.db2.gz QMJXMPGYGLLLPR-SNVBAGLBSA-N 0 0 193.265 2.444 10 0 AEAERN CCCN(c1cncc(C)n1)C1CC1 683753241 487096441 /nfs/dbraw/zinc/09/64/41/487096441.db2.gz FSMPPOACTDNUBZ-UHFFFAOYSA-N 0 0 191.278 2.164 10 0 AEAERN Cc1nccn1C[C@@H]1CCO[C@@H](C)C1 683738898 487096450 /nfs/dbraw/zinc/09/64/50/487096450.db2.gz KNXHNXALZKTODN-GXSJLCMTSA-N 0 0 194.278 2.007 10 0 AEAERN Cc1nccn1C[C@@H]1CCO[C@H](C)C1 683738901 487096500 /nfs/dbraw/zinc/09/65/00/487096500.db2.gz KNXHNXALZKTODN-MWLCHTKSSA-N 0 0 194.278 2.007 10 0 AEAERN Cc1nccn1C[C@H]1CCO[C@H](C)C1 683738899 487096524 /nfs/dbraw/zinc/09/65/24/487096524.db2.gz KNXHNXALZKTODN-KOLCDFICSA-N 0 0 194.278 2.007 10 0 AEAERN Cc1nccn1C[C@H]1CCO[C@@H](C)C1 683738902 487097030 /nfs/dbraw/zinc/09/70/30/487097030.db2.gz KNXHNXALZKTODN-ONGXEEELSA-N 0 0 194.278 2.007 10 0 AEAERN C[C@H]1C[C@@H]1C(=O)N(C)C1(C)CCCC1 683811896 487099049 /nfs/dbraw/zinc/09/90/49/487099049.db2.gz MKYSZNDJJWXVFB-UWVGGRQHSA-N 0 0 195.306 2.434 10 0 AEAERN C[C@@H]1C[C@H]1C(=O)N(C)C1(C)CCCC1 683812736 487099180 /nfs/dbraw/zinc/09/91/80/487099180.db2.gz MKYSZNDJJWXVFB-NXEZZACHSA-N 0 0 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CC(=O)[C@H](C)SCc1nocc1C 871656307 583353283 /nfs/dbraw/zinc/35/32/83/583353283.db2.gz CUMVPJSUGCBTHA-QMMMGPOBSA-N 0 0 199.275 2.194 10 0 AEAERN Cc1conc1CSc1ncco1 871668667 583353315 /nfs/dbraw/zinc/35/33/15/583353315.db2.gz STKFGUYMCSSAEW-UHFFFAOYSA-N 0 0 196.231 2.263 10 0 AEAERN CSC1CC(CF)(CF)C1 871650372 583353431 /nfs/dbraw/zinc/35/34/31/583353431.db2.gz WHUSBVDAQAYMDU-UHFFFAOYSA-N 0 0 166.236 2.437 10 0 AEAERN CC(=O)NOC[C@@H](C)CC(C)(C)C 871729599 583353725 /nfs/dbraw/zinc/35/37/25/583353725.db2.gz VTTHOTJIQWNGQO-QMMMGPOBSA-N 0 0 187.283 2.126 10 0 AEAERN C[C@H](COn1cccn1)CC(C)(C)C 871753277 583353741 /nfs/dbraw/zinc/35/37/41/583353741.db2.gz PFJOBAQUWBEFFA-JTQLQIEISA-N 0 0 196.294 2.384 10 0 AEAERN CCSC[C@H]1C[C@@H](OC)C1 871697476 583353872 /nfs/dbraw/zinc/35/38/72/583353872.db2.gz XXUNVWPFKCTVDI-OCAPTIKFSA-N 0 0 160.282 2.165 10 0 AEAERN c1cnn(CC2CC3(CCC3)C2)c1 871733977 583353910 /nfs/dbraw/zinc/35/39/10/583353910.db2.gz VBZXGAQPBLZSDU-UHFFFAOYSA-N 0 0 176.263 2.463 10 0 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196.294 2.329 10 0 AEAERN C[C@H]1C[C@H]1C(N)=NOCCCC1CC1 871759927 583354886 /nfs/dbraw/zinc/35/48/86/583354886.db2.gz ZXFLDNCEQKIXLF-WCBMZHEXSA-N 0 0 196.294 2.331 10 0 AEAERN Cc1ncn(CC2CC3(CCC3)C2)n1 871756360 583354892 /nfs/dbraw/zinc/35/48/92/583354892.db2.gz PXXHVWGNZYRYJI-UHFFFAOYSA-N 0 0 191.278 2.167 10 0 AEAERN CC(C)[C@@H](C)ON=C(N)C1CCC1 871765558 583354914 /nfs/dbraw/zinc/35/49/14/583354914.db2.gz AJQNXHLTINTPKR-MRVPVSSYSA-N 0 0 184.283 2.329 10 0 AEAERN c1cc(OCCCC2CC2)cnn1 871754621 583355090 /nfs/dbraw/zinc/35/50/90/583355090.db2.gz NAGAMAMBABHXFW-UHFFFAOYSA-N 0 0 178.235 2.046 10 0 AEAERN C[C@@H]1C[C@H]1C(N)=NOCCCC1CC1 871759925 583355096 /nfs/dbraw/zinc/35/50/96/583355096.db2.gz ZXFLDNCEQKIXLF-PSASIEDQSA-N 0 0 196.294 2.331 10 0 AEAERN CC(C)[C@H](C)ON=C(N)C1CCC1 871765559 583355144 /nfs/dbraw/zinc/35/51/44/583355144.db2.gz AJQNXHLTINTPKR-QMMMGPOBSA-N 0 0 184.283 2.329 10 0 AEAERN C[C@@H]1C[C@@H]1C(N)=NOCCCC1CC1 871759926 583355332 /nfs/dbraw/zinc/35/53/32/583355332.db2.gz 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/nfs/dbraw/zinc/35/59/47/583355947.db2.gz HTXCMQIKVFNPJL-UHFFFAOYSA-N 0 0 185.246 2.065 10 0 AEAERN CC(C)CCNc1ccn(CCF)n1 871862163 583356008 /nfs/dbraw/zinc/35/60/08/583356008.db2.gz XSWUPHNZEREWFJ-UHFFFAOYSA-N 0 0 199.273 2.311 10 0 AEAERN CC(C)[C@@H](C)Nc1ccn(CCF)n1 871861442 583356099 /nfs/dbraw/zinc/35/60/99/583356099.db2.gz BAVVGSBCPUXFEW-SECBINFHSA-N 0 0 199.273 2.309 10 0 AEAERN FCCn1ccc(NCC2CCC2)n1 871861580 583356141 /nfs/dbraw/zinc/35/61/41/583356141.db2.gz DNAULCIBGXCBNO-UHFFFAOYSA-N 0 0 197.257 2.065 10 0 AEAERN Cc1noc(C2(OC(C)C)CCC2)n1 871824108 583356172 /nfs/dbraw/zinc/35/61/72/583356172.db2.gz VXLINZBSQPGKKE-UHFFFAOYSA-N 0 0 196.250 2.182 10 0 AEAERN CC(C)[C@H](C)Nc1ccn(CCF)n1 871861443 583356197 /nfs/dbraw/zinc/35/61/97/583356197.db2.gz BAVVGSBCPUXFEW-VIFPVBQESA-N 0 0 199.273 2.309 10 0 AEAERN CCCCCNc1ccn(CCF)n1 871861062 583356240 /nfs/dbraw/zinc/35/62/40/583356240.db2.gz FTKIKDNRUOMCFY-UHFFFAOYSA-N 0 0 199.273 2.455 10 0 AEAERN OCCNc1ccc(C2CC2)cc1F 871860431 583356264 /nfs/dbraw/zinc/35/62/64/583356264.db2.gz DZGDPRRLYOWQCC-UHFFFAOYSA-N 0 0 195.237 2.107 10 0 AEAERN COc1cc(NCCCC2CC2)[nH]n1 871841316 583356346 /nfs/dbraw/zinc/35/63/46/583356346.db2.gz BWDBDXQSMANYMZ-UHFFFAOYSA-N 0 0 195.266 2.020 10 0 AEAERN CC(C)CCOc1ccc(N)cn1 19279548 583356829 /nfs/dbraw/zinc/35/68/29/583356829.db2.gz YIGUEZWICYOVNU-UHFFFAOYSA-N 0 0 180.251 2.089 10 0 AEAERN CCn1ncc(N[C@H]2CC[C@@H]2C)c1C 872137261 583358730 /nfs/dbraw/zinc/35/87/30/583358730.db2.gz KFKQPAGRLBNKIB-WPRPVWTQSA-N 0 0 193.294 2.422 10 0 AEAERN CCn1ccc(-c2nc(C)no2)c1C 872012916 583359021 /nfs/dbraw/zinc/35/90/21/583359021.db2.gz PRAZGBJYTSLHBB-UHFFFAOYSA-N 0 0 191.234 2.175 10 0 AEAERN CCn1ncc(N[C@H](C)C2CC2)c1C 872136002 583360011 /nfs/dbraw/zinc/36/00/11/583360011.db2.gz BHELCMGUBANKFB-MRVPVSSYSA-N 0 0 193.294 2.422 10 0 AEAERN CCn1ncc(N[C@H]2CC[C@H]2C)c1C 872137256 583360107 /nfs/dbraw/zinc/36/01/07/583360107.db2.gz KFKQPAGRLBNKIB-SCZZXKLOSA-N 0 0 193.294 2.422 10 0 AEAERN CC[C@H](C)Nc1cnn(CC)c1C 872138453 583360273 /nfs/dbraw/zinc/36/02/73/583360273.db2.gz WSAUSSDONFRMJR-QMMMGPOBSA-N 0 0 181.283 2.422 10 0 AEAERN CC[C@@H](C)Nc1cnn(CC)c1C 872138452 583360285 /nfs/dbraw/zinc/36/02/85/583360285.db2.gz WSAUSSDONFRMJR-MRVPVSSYSA-N 0 0 181.283 2.422 10 0 AEAERN CCn1ncc(N[C@@H]2CC[C@@H]2C)c1C 872137258 583360355 /nfs/dbraw/zinc/36/03/55/583360355.db2.gz KFKQPAGRLBNKIB-WCBMZHEXSA-N 0 0 193.294 2.422 10 0 AEAERN CCn1ncc(N[C@@H](C)C2CC2)c1C 872136009 583360377 /nfs/dbraw/zinc/36/03/77/583360377.db2.gz BHELCMGUBANKFB-QMMMGPOBSA-N 0 0 193.294 2.422 10 0 AEAERN CCn1ncc(N[C@@H]2CC[C@H]2C)c1C 872137254 583360462 /nfs/dbraw/zinc/36/04/62/583360462.db2.gz KFKQPAGRLBNKIB-PSASIEDQSA-N 0 0 193.294 2.422 10 0 AEAERN CCn1ncc(NC(C)C)c1C 872138482 583360668 /nfs/dbraw/zinc/36/06/68/583360668.db2.gz WYZODWJYLGHHHW-UHFFFAOYSA-N 0 0 167.256 2.032 10 0 AEAERN CCC(=O)Oc1cc(C)ccc1C=O 872612284 583369172 /nfs/dbraw/zinc/36/91/72/583369172.db2.gz DRGSCNSECLHYKQ-UHFFFAOYSA-N 0 0 192.214 2.123 10 0 AEAERN CCC(=O)O[C@H](C)[C@@H]1CC12CC2 873625734 583375989 /nfs/dbraw/zinc/37/59/89/583375989.db2.gz QOJJNGZHBPIQTE-SFYZADRCSA-N 0 0 168.236 2.128 10 0 AEAERN CC(C)CCOc1ccc(N)nc1 19869203 583372842 /nfs/dbraw/zinc/37/28/42/583372842.db2.gz BXERNHRYVFOGIF-UHFFFAOYSA-N 0 0 180.251 2.089 10 0 AEAERN C[C@H]1C[C@@H]1C(=O)O[C@H](C)[C@@H]1CC12CC2 873625499 583374770 /nfs/dbraw/zinc/37/47/70/583374770.db2.gz LNELESDJXJQTPZ-JXUBOQSCSA-N 0 0 194.274 2.374 10 0 AEAERN C[C@@H]1C[C@H]1C(=O)O[C@H](C)[C@@H]1CC12CC2 873625500 583374850 /nfs/dbraw/zinc/37/48/50/583374850.db2.gz LNELESDJXJQTPZ-KYXWUPHJSA-N 0 0 194.274 2.374 10 0 AEAERN CCC(=O)O[C@H](C)[C@H]1CC12CC2 873625733 583374891 /nfs/dbraw/zinc/37/48/91/583374891.db2.gz QOJJNGZHBPIQTE-HTQZYQBOSA-N 0 0 168.236 2.128 10 0 AEAERN C[C@@H](OC(=O)[C@@H]1C[C@H]1C)[C@H]1CC12CC2 873625502 583374933 /nfs/dbraw/zinc/37/49/33/583374933.db2.gz LNELESDJXJQTPZ-ZYUZMQFOSA-N 0 0 194.274 2.374 10 0 AEAERN CC(=O)O[C@@H]1CCOC2(CCCC2)C1 873582011 583375130 /nfs/dbraw/zinc/37/51/30/583375130.db2.gz YLWYBSYFKSSGCM-SNVBAGLBSA-N 0 0 198.262 2.041 10 0 AEAERN CC(=O)O[C@H]1CCOC2(CCCC2)C1 873582010 583375218 /nfs/dbraw/zinc/37/52/18/583375218.db2.gz YLWYBSYFKSSGCM-JTQLQIEISA-N 0 0 198.262 2.041 10 0 AEAERN C[C@H]1C[C@@H]1C(=O)O[C@H](C)[C@H]1CC12CC2 873625501 583375426 /nfs/dbraw/zinc/37/54/26/583375426.db2.gz LNELESDJXJQTPZ-QCLAVDOMSA-N 0 0 194.274 2.374 10 0 AEAERN C[C@@H](OC(=O)C1CC1)[C@H]1CC12CC2 873631102 583375955 /nfs/dbraw/zinc/37/59/55/583375955.db2.gz XSVCVRFSAUDWNR-VXNVDRBHSA-N 0 0 180.247 2.128 10 0 AEAERN C[C@@H](OC(=O)C1CC1)[C@@H]1CC12CC2 873631101 583376073 /nfs/dbraw/zinc/37/60/73/583376073.db2.gz XSVCVRFSAUDWNR-APPZFPTMSA-N 0 0 180.247 2.128 10 0 AEAERN C[C@@H]1C[C@@H]1C(=O)O[C@H](C)[C@@H]1CC12CC2 873628282 583376130 /nfs/dbraw/zinc/37/61/30/583376130.db2.gz LNELESDJXJQTPZ-IMSYWVGJSA-N 0 0 194.274 2.374 10 0 AEAERN CC(C)C(=O)O[C@H](C)[C@@H]1CC12CC2 873629240 583376137 /nfs/dbraw/zinc/37/61/37/583376137.db2.gz RNUCYMAFFWLQEF-BDAKNGLRSA-N 0 0 182.263 2.374 10 0 AEAERN CC(C)C(=O)O[C@H](C)[C@H]1CC12CC2 873629241 583376189 /nfs/dbraw/zinc/37/61/89/583376189.db2.gz RNUCYMAFFWLQEF-RKDXNWHRSA-N 0 0 182.263 2.374 10 0 AEAERN CCc1ccc(NCCOC)cc1 20053720 583376543 /nfs/dbraw/zinc/37/65/43/583376543.db2.gz FDQRNZJYUOZKAZ-UHFFFAOYSA-N 0 0 179.263 2.307 10 0 AEAERN C[C@@H]1C[C@@H]1C(=O)O[C@H](C)[C@H]1CC12CC2 873628281 583376580 /nfs/dbraw/zinc/37/65/80/583376580.db2.gz LNELESDJXJQTPZ-DOLQZWNJSA-N 0 0 194.274 2.374 10 0 AEAERN Cc1ccnc(NCCCC2CC2)n1 124706824 583377946 /nfs/dbraw/zinc/37/79/46/583377946.db2.gz XWHMEWBWRVIIPP-UHFFFAOYSA-N 0 0 191.278 2.387 10 0 AEAERN CCN(CC)C(=O)/C=C\C(C)(C)C 209266079 583378118 /nfs/dbraw/zinc/37/81/18/583378118.db2.gz OKBTWNXBOOSBJE-HJWRWDBZSA-N 0 0 183.295 2.457 10 0 AEAERN CC(C)CCOc1ccncc1N 20370710 583380205 /nfs/dbraw/zinc/38/02/05/583380205.db2.gz JSDOHEPWOXHFDJ-UHFFFAOYSA-N 0 0 180.251 2.089 10 0 AEAERN CCCCCCOCC(=O)OCC 20506680 583382166 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AEAERN Cn1cc(-c2ccc3c(c2)CCN3)cn1 52898424 1188770159 /nfs/dbraw/zinc/77/01/59/1188770159.db2.gz YUZKYORVSWOJON-UHFFFAOYSA-N 0 0 199.257 2.055 10 0 AEAERN CC(C)CCC[C@H](C)NC#N 52832703 1188770209 /nfs/dbraw/zinc/77/02/09/1188770209.db2.gz GAHMFROSDSJVEP-VIFPVBQESA-N 0 0 154.257 2.272 10 0 AEAERN CCCCCC[C@@H](C)NC#N 52832725 1188770393 /nfs/dbraw/zinc/77/03/93/1188770393.db2.gz DBUVCWKNDLAFJW-SECBINFHSA-N 0 0 154.257 2.416 10 0 AEAERN Cc1nc2cc3c(cc2[nH]1)CCC3 59019974 1188770509 /nfs/dbraw/zinc/77/05/09/1188770509.db2.gz PIEKBNUTOAYLCQ-UHFFFAOYSA-N 0 0 172.231 2.360 10 0 AEAERN CCc1cc(F)cc(N(C)C)c1 59162891 1188771250 /nfs/dbraw/zinc/77/12/50/1188771250.db2.gz PTZOQEWYWSHVAX-UHFFFAOYSA-N 0 0 167.227 2.454 10 0 AEAERN Cc1cccc(-c2cnccn2)c1 59243976 1188771571 /nfs/dbraw/zinc/77/15/71/1188771571.db2.gz IGCGKIDGAPARCU-UHFFFAOYSA-N 0 0 170.215 2.452 10 0 AEAERN CC(C)c1ccc2n[nH]nc2c1 59692057 1188771953 /nfs/dbraw/zinc/77/19/53/1188771953.db2.gz MBSXHYDCWYCSME-UHFFFAOYSA-N 0 0 161.208 2.081 10 0 AEAERN FC(F)(F)CN[C@H]1CCCSC1 61570536 1188771973 /nfs/dbraw/zinc/77/19/73/1188771973.db2.gz KZCJWNBIKQKNNH-LURJTMIESA-N 0 0 199.241 2.034 10 0 AEAERN COCCCc1ccc(C(C)=O)cc1 59296034 1188771996 /nfs/dbraw/zinc/77/19/96/1188771996.db2.gz RQRSVEDJABDUNI-UHFFFAOYSA-N 0 0 192.258 2.468 10 0 AEAERN CC(C)(C)C(=O)Cc1ccc(F)cn1 63023613 1188773705 /nfs/dbraw/zinc/77/37/05/1188773705.db2.gz QTPXQDNWFDYFMO-UHFFFAOYSA-N 0 0 195.237 2.378 10 0 AEAERN Cc1ccc(-c2cccc(N)n2)cn1 62948310 1188773708 /nfs/dbraw/zinc/77/37/08/1188773708.db2.gz FUPSUIAULBYMJN-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN COc1ncc(C2CCCC2)cn1 75840698 1188774419 /nfs/dbraw/zinc/77/44/19/1188774419.db2.gz DQMZIZACIJUARG-UHFFFAOYSA-N 0 0 178.235 2.143 10 0 AEAERN c1cncc(-c2cncs2)c1 78160781 1188774496 /nfs/dbraw/zinc/77/44/96/1188774496.db2.gz REJOECPUMPPMTC-UHFFFAOYSA-N 0 0 162.217 2.205 10 0 AEAERN Cc1ncc(-c2cccc(N)n2)s1 74272201 1188774782 /nfs/dbraw/zinc/77/47/82/1188774782.db2.gz YPKRPFIOEPGWNU-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN c1cnc(C2CCCC2)nc1 75840694 1188774909 /nfs/dbraw/zinc/77/49/09/1188774909.db2.gz KHXLVDUXFUNEQQ-UHFFFAOYSA-N 0 0 148.209 2.134 10 0 AEAERN CC(=O)NCC/C=C/c1ccccc1 74585057 1188775163 /nfs/dbraw/zinc/77/51/63/1188775163.db2.gz CWDFUNCIHMXDSA-WEVVVXLNSA-N 0 0 189.258 2.226 10 0 AEAERN CC(C)OC(=O)N1CCC[C@H]1C 77983556 1188775184 /nfs/dbraw/zinc/77/51/84/1188775184.db2.gz MVQSLSIULNELLU-MRVPVSSYSA-N 0 0 171.240 2.016 10 0 AEAERN CCCCc1cncc(O)c1 78136637 1188775396 /nfs/dbraw/zinc/77/53/96/1188775396.db2.gz AZJFGOCYQUDVRN-UHFFFAOYSA-N 0 0 151.209 2.130 10 0 AEAERN Cc1ncc(-c2cncc(N)c2)s1 74272106 1188775502 /nfs/dbraw/zinc/77/55/02/1188775502.db2.gz JNECEBVYBKQPPR-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1cccc(-c2ccnnc2)c1 77875155 1188775558 /nfs/dbraw/zinc/77/55/58/1188775558.db2.gz SJXOZHQWIGFYCU-UHFFFAOYSA-N 0 0 170.215 2.452 10 0 AEAERN CCOc1ccc(CC)cn1 78568634 1188775982 /nfs/dbraw/zinc/77/59/82/1188775982.db2.gz ZRQJHMZLGYVORG-UHFFFAOYSA-N 0 0 151.209 2.043 10 0 AEAERN CC(C)c1ccccc1S(C)(=O)=O 78446833 1188776207 /nfs/dbraw/zinc/77/62/07/1188776207.db2.gz KECVNUPRVNTIKA-UHFFFAOYSA-N 0 0 198.287 2.214 10 0 AEAERN Oc1ccc(C2=CCOCC2)cc1 78913696 1188776385 /nfs/dbraw/zinc/77/63/85/1188776385.db2.gz QJLXCHPVWQVJFT-UHFFFAOYSA-N 0 0 176.215 2.196 10 0 AEAERN Cc1cc(N)ncc1-c1ccc(N)cc1 82730100 1188776926 /nfs/dbraw/zinc/77/69/26/1188776926.db2.gz FZLBVKJSYYGGFE-UHFFFAOYSA-N 0 0 199.257 2.221 10 0 AEAERN Cc1cc(N)ncc1-c1cccc(N)c1 82730099 1188776938 /nfs/dbraw/zinc/77/69/38/1188776938.db2.gz ADTIYVYZTVQMCG-UHFFFAOYSA-N 0 0 199.257 2.221 10 0 AEAERN Cc1nc(N)ccc1-c1ccc(N)cc1 82730161 1188776964 /nfs/dbraw/zinc/77/69/64/1188776964.db2.gz QMQSPLHOXXRLIP-UHFFFAOYSA-N 0 0 199.257 2.221 10 0 AEAERN Cc1cc(-c2ccc(N)cc2)cnc1N 82730049 1188777074 /nfs/dbraw/zinc/77/70/74/1188777074.db2.gz VIQSUSGEUCQUGV-UHFFFAOYSA-N 0 0 199.257 2.221 10 0 AEAERN Cc1cc(-c2cccc(N)c2)cnc1N 82730048 1188777107 /nfs/dbraw/zinc/77/71/07/1188777107.db2.gz IFAIBDQJJDLOMM-UHFFFAOYSA-N 0 0 199.257 2.221 10 0 AEAERN Fc1ccc(Cc2ncc[nH]2)c(F)c1 82733968 1188777174 /nfs/dbraw/zinc/77/71/74/1188777174.db2.gz DXXLBPJFBJZAAX-UHFFFAOYSA-N 0 0 194.184 2.279 10 0 AEAERN COC(=O)CCc1ccc(F)c(C)c1 82726223 1188777192 /nfs/dbraw/zinc/77/71/92/1188777192.db2.gz DITYTTHPYUDEKP-UHFFFAOYSA-N 0 0 196.221 2.240 10 0 AEAERN COC(=O)N(Cc1ccco1)C1CC1 135915948 1188778453 /nfs/dbraw/zinc/77/84/53/1188778453.db2.gz SZOUORNXNCBGGY-UHFFFAOYSA-N 0 0 195.218 2.010 10 0 AEAERN COC(=O)Nc1ccc(F)cc1OC 135965451 1188778481 /nfs/dbraw/zinc/77/84/81/1188778481.db2.gz AGCFIEFSHHBJRO-UHFFFAOYSA-N 0 0 199.181 2.013 10 0 AEAERN CCCCCN(C)C(=O)NCCC 136069499 1188778497 /nfs/dbraw/zinc/77/84/97/1188778497.db2.gz WAWVWLUQYNAIRX-UHFFFAOYSA-N 0 0 186.299 2.228 10 0 AEAERN CCNC(=S)N(C)C(CC)CC 135937086 1188778552 /nfs/dbraw/zinc/77/85/52/1188778552.db2.gz VSPVXLQJNCXINP-UHFFFAOYSA-N 0 0 188.340 2.001 10 0 AEAERN COC(=O)N[C@@H](C)c1ccccc1F 135860991 1188778606 /nfs/dbraw/zinc/77/86/06/1188778606.db2.gz KQUUJWFBSVZOCB-ZETCQYMHSA-N 0 0 197.209 2.243 10 0 AEAERN COC(=O)N[C@H](C)c1cccc(F)c1 135861101 1188778610 /nfs/dbraw/zinc/77/86/10/1188778610.db2.gz DLCSYESGUPYOTO-SSDOTTSWSA-N 0 0 197.209 2.243 10 0 AEAERN COC(=O)N[C@H](C)c1ccccc1F 135861025 1188778628 /nfs/dbraw/zinc/77/86/28/1188778628.db2.gz KQUUJWFBSVZOCB-SSDOTTSWSA-N 0 0 197.209 2.243 10 0 AEAERN CCCCCN(C)C(=O)NC(C)C 136069596 1188778643 /nfs/dbraw/zinc/77/86/43/1188778643.db2.gz REKSMJZCTWHTJV-UHFFFAOYSA-N 0 0 186.299 2.226 10 0 AEAERN CC1CCC(NC(=O)NC(C)C)CC1 135876714 1188778664 /nfs/dbraw/zinc/77/86/64/1188778664.db2.gz DDYDHJBTSFQGJG-UHFFFAOYSA-N 0 0 198.310 2.273 10 0 AEAERN Cc1ccc(F)cc1NC(=O)N(C)C 135869082 1188778823 /nfs/dbraw/zinc/77/88/23/1188778823.db2.gz CSIOGJRUIVORSI-UHFFFAOYSA-N 0 0 196.225 2.228 10 0 AEAERN COC(=O)N[C@H]1CCc2ccccc21 135864360 1188778858 /nfs/dbraw/zinc/77/88/58/1188778858.db2.gz DLVFOFVHZYCFKW-JTQLQIEISA-N 0 0 191.230 2.030 10 0 AEAERN CCC(CC)N(C)C(=O)NC(C)C 136017219 1188778934 /nfs/dbraw/zinc/77/89/34/1188778934.db2.gz YMCDLFWQPXMZBV-UHFFFAOYSA-N 0 0 186.299 2.225 10 0 AEAERN CCCNC(=O)N1CCC(CC)CC1 136135486 1188778980 /nfs/dbraw/zinc/77/89/80/1188778980.db2.gz LLQMFSMLBLGPRU-UHFFFAOYSA-N 0 0 198.310 2.228 10 0 AEAERN COC(=O)N[C@@H](C)c1ccc(F)cc1 135859734 1188779018 /nfs/dbraw/zinc/77/90/18/1188779018.db2.gz ANEBWRHUHICTTH-ZETCQYMHSA-N 0 0 197.209 2.243 10 0 AEAERN Cc1cncc(-c2ccccn2)c1 135996756 1188779024 /nfs/dbraw/zinc/77/90/24/1188779024.db2.gz IJTAKACJQMMOSB-UHFFFAOYSA-N 0 0 170.215 2.452 10 0 AEAERN CCCNC(=O)N(C)C(CC)CC 136023408 1188779035 /nfs/dbraw/zinc/77/90/35/1188779035.db2.gz FMOYOGHBFZQHEP-UHFFFAOYSA-N 0 0 186.299 2.226 10 0 AEAERN CCCNC(=O)N(CC1CC1)C(C)C 136079701 1188779136 /nfs/dbraw/zinc/77/91/36/1188779136.db2.gz OUSUPVZLUZZCCJ-UHFFFAOYSA-N 0 0 198.310 2.226 10 0 AEAERN COC(=O)Nc1cc(C)ccc1F 135963681 1188779141 /nfs/dbraw/zinc/77/91/41/1188779141.db2.gz CJQRRDVSBDGYAI-UHFFFAOYSA-N 0 0 183.182 2.312 10 0 AEAERN COC(=O)Nc1cc(F)ccc1C 135963131 1188779159 /nfs/dbraw/zinc/77/91/59/1188779159.db2.gz BINQNIBDIDVLPM-UHFFFAOYSA-N 0 0 183.182 2.312 10 0 AEAERN COCOc1c(C)cccc1C 157711355 1188779294 /nfs/dbraw/zinc/77/92/94/1188779294.db2.gz BFRHJGGCFQDEGY-UHFFFAOYSA-N 0 0 166.220 2.286 10 0 AEAERN CC(C)(C)c1nnc2ccccn12 146658508 1188779514 /nfs/dbraw/zinc/77/95/14/1188779514.db2.gz ONIJEWWKBUJALB-UHFFFAOYSA-N 0 0 175.235 2.027 10 0 AEAERN OCc1ccc(C2CC2)c(F)c1 146659306 1188779732 /nfs/dbraw/zinc/77/97/32/1188779732.db2.gz DNSABMDACTUARX-UHFFFAOYSA-N 0 0 166.195 2.195 10 0 AEAERN Cn1cc(OC2CCCCC2)cn1 158641679 1188780087 /nfs/dbraw/zinc/78/00/87/1188780087.db2.gz QODOFKJVVOGWMC-UHFFFAOYSA-N 0 0 180.251 2.132 10 0 AEAERN CCCCCCn1cc([O-])cn1 161865823 1188780941 /nfs/dbraw/zinc/78/09/41/1188780941.db2.gz HLUPQYYBUKTABC-UHFFFAOYSA-N 0 0 168.240 2.169 10 0 AEAERN C=Cc1nc(-c2cnccc2C)no1 164638290 1188781195 /nfs/dbraw/zinc/78/11/95/1188781195.db2.gz ULOBLOHBEPEPRU-UHFFFAOYSA-N 0 0 187.202 2.083 10 0 AEAERN CCCNc1ncnc2[nH]c(C)cc12 169815267 1188782206 /nfs/dbraw/zinc/78/22/06/1188782206.db2.gz XIELHJHFNZAFAT-UHFFFAOYSA-N 0 0 190.250 2.088 10 0 AEAERN CC[C@@H](C)Oc1cccccc1=O 196239903 1188782765 /nfs/dbraw/zinc/78/27/65/1188782765.db2.gz WCYSCBFHWGYDDH-SECBINFHSA-N 0 0 178.231 2.224 10 0 AEAERN CC[C@H](C)Oc1cccccc1=O 196239913 1188782883 /nfs/dbraw/zinc/78/28/83/1188782883.db2.gz WCYSCBFHWGYDDH-VIFPVBQESA-N 0 0 178.231 2.224 10 0 AEAERN COC(=O)Nc1sc(C)cc1C#N 196654970 1188783171 /nfs/dbraw/zinc/78/31/71/1188783171.db2.gz WFZFMQQZUALICE-UHFFFAOYSA-N 0 0 196.231 2.107 10 0 AEAERN FC(F)C(F)(F)CN1CCCCC1 196656230 1188783349 /nfs/dbraw/zinc/78/33/49/1188783349.db2.gz DLKGURKCVWMIKY-UHFFFAOYSA-N 0 0 199.191 2.373 10 0 AEAERN CCCNC(=O)Oc1ccc(C)cc1 199669472 1188783988 /nfs/dbraw/zinc/78/39/88/1188783988.db2.gz BQKUGEXDFZPQSW-UHFFFAOYSA-N 0 0 193.246 2.493 10 0 AEAERN COc1cc(C)cc(F)c1C 203204490 1188785006 /nfs/dbraw/zinc/78/50/06/1188785006.db2.gz RBLIPXPFJKZSCA-UHFFFAOYSA-N 0 0 154.184 2.451 10 0 AEAERN Clc1ccnc(O[C@@H]2C=CCC2)n1 215473188 1188786005 /nfs/dbraw/zinc/78/60/05/1188786005.db2.gz UPKLYALZKDZEIL-SSDOTTSWSA-N 0 0 196.637 2.227 10 0 AEAERN F[C@@H]1CN(Cc2ccccc2)C[C@H]1F 215623716 1188786200 /nfs/dbraw/zinc/78/62/00/1188786200.db2.gz UAAFLJZHANPMCN-GHMZBOCLSA-N 0 0 197.228 2.178 10 0 AEAERN Clc1ccnc(O[C@H]2C=CCC2)n1 215473136 1188786392 /nfs/dbraw/zinc/78/63/92/1188786392.db2.gz UPKLYALZKDZEIL-ZETCQYMHSA-N 0 0 196.637 2.227 10 0 AEAERN CC(C)Cc1nnc(C(F)(F)F)o1 223460427 1188787458 /nfs/dbraw/zinc/78/74/58/1188787458.db2.gz AONVBJZJNJNTPL-UHFFFAOYSA-N 0 0 194.156 2.287 10 0 AEAERN CC[C@@H](C)Oc1ccnc(F)c1 227637944 1188788549 /nfs/dbraw/zinc/78/85/49/1188788549.db2.gz SJJCPJDLVSGXIB-SSDOTTSWSA-N 0 0 169.199 2.398 10 0 AEAERN Fc1ccnc(-c2ccoc2)c1 227689606 1188788695 /nfs/dbraw/zinc/78/86/95/1188788695.db2.gz OILJPXIVMWZJQG-UHFFFAOYSA-N 0 0 163.151 2.481 10 0 AEAERN CC[C@H](C)Oc1ccnc(F)c1 227637950 1188788806 /nfs/dbraw/zinc/78/88/06/1188788806.db2.gz SJJCPJDLVSGXIB-ZETCQYMHSA-N 0 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39115144 132189625 /nfs/dbraw/zinc/18/96/25/132189625.db2.gz QNYURDSBIFJURG-UHFFFAOYSA-N 0 0 185.230 2.011 10 0 AEAERN CN1C(=O)CCc2cc(Cl)ccc21 39284992 132189988 /nfs/dbraw/zinc/18/99/88/132189988.db2.gz AEAYSTJDKCJGAH-UHFFFAOYSA-N 0 0 195.649 2.249 10 0 AEAERN Cc1cc(C)c2c(c1)CCC(=O)N2C 39291448 132190069 /nfs/dbraw/zinc/19/00/69/132190069.db2.gz UCZQLLOXTACZFW-UHFFFAOYSA-N 0 0 189.258 2.212 10 0 AEAERN Clc1ccccc1N1CCOCC1 39648210 132190159 /nfs/dbraw/zinc/19/01/59/132190159.db2.gz PKZKNXWENCTGEY-UHFFFAOYSA-N 0 0 197.665 2.177 10 0 AEAERN CC(=O)N1CC=C(C)c2ccccc21 39126234 132191105 /nfs/dbraw/zinc/19/11/05/132191105.db2.gz GTILEMNEKQIPMY-UHFFFAOYSA-N 0 0 187.242 2.456 10 0 AEAERN Nc1ccc(F)cc1N1CCCCC1 52118800 132192088 /nfs/dbraw/zinc/19/20/88/132192088.db2.gz MGANYFJKLGDKED-UHFFFAOYSA-N 0 0 194.253 2.398 10 0 AEAERN CCN1CCNc2cc(F)c(F)cc21 57923432 132193535 /nfs/dbraw/zinc/19/35/35/132193535.db2.gz CWPFNYTYBPEGOI-UHFFFAOYSA-N 0 0 198.216 2.217 10 0 AEAERN Cc1ccc(S[C@H](C)[C@@H](C)O)nc1 228533743 133423053 /nfs/dbraw/zinc/42/30/53/133423053.db2.gz JSZYWVIPOYFAGE-RKDXNWHRSA-N 0 0 197.303 2.251 10 0 AEAERN Cc1ccc(S[C@@H](C)[C@@H](C)O)nc1 228533738 133423144 /nfs/dbraw/zinc/42/31/44/133423144.db2.gz JSZYWVIPOYFAGE-BDAKNGLRSA-N 0 0 197.303 2.251 10 0 AEAERN CC(C)CNC(=O)[C@@H]1[C@H]2CCCC[C@H]21 252646909 133424452 /nfs/dbraw/zinc/42/44/52/133424452.db2.gz SRAZODJKRJREIT-URLYPYJESA-N 0 0 195.306 2.195 10 0 AEAERN CCN(CC)C(=O)[C@@H]1[C@H]2CCCC[C@H]21 252635411 133424486 /nfs/dbraw/zinc/42/44/86/133424486.db2.gz FWCHFDTYZLZJKO-URLYPYJESA-N 0 0 195.306 2.291 10 0 AEAERN O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCCC1 252650390 133424722 /nfs/dbraw/zinc/42/47/22/133424722.db2.gz YSBHJOHWVXWJNK-URLYPYJESA-N 0 0 193.290 2.045 10 0 AEAERN CCOC(=O)c1oc(C(C)C)cc1N 38580697 136408244 /nfs/dbraw/zinc/40/82/44/136408244.db2.gz DAHKYPXTIGGWSX-UHFFFAOYSA-N 0 0 197.234 2.162 10 0 AEAERN Cc1ccc2c(c1)NC(=O)C[C@H](C)O2 161131 342930175 /nfs/dbraw/zinc/93/01/75/342930175.db2.gz PMOXBZWAOHVZOL-QMMMGPOBSA-N 0 0 191.230 2.105 10 0 AEAERN C[S@@](=O)c1nc2ccccc2s1 173128 342931297 /nfs/dbraw/zinc/93/12/97/342931297.db2.gz WNJYDCANHJSWTI-LBPRGKRZSA-N 0 0 197.284 2.034 10 0 AEAERN CN1CCC(/C=C/c2cccs2)=N1 172680 342931319 /nfs/dbraw/zinc/93/13/19/342931319.db2.gz YGURVARSHXBYQV-SNAWJCMRSA-N 0 0 192.287 2.453 10 0 AEAERN CC(C)(O)CC1(CO)CCCCC1 173636 342931323 /nfs/dbraw/zinc/93/13/23/342931323.db2.gz AOFUTLGXAULMEF-UHFFFAOYSA-N 0 0 186.295 2.090 10 0 AEAERN Cc1nc2ccc(CCO)cc2s1 226140 342931655 /nfs/dbraw/zinc/93/16/55/342931655.db2.gz LNMXUZSATGFHQK-UHFFFAOYSA-N 0 0 193.271 2.140 10 0 AEAERN O[C@H]1CCC=C1c1ccccc1 1659987 342954886 /nfs/dbraw/zinc/95/48/86/342954886.db2.gz QLISJJWDNDRXRD-NSHDSACASA-N 0 0 160.216 2.225 10 0 AEAERN CCCC(=O)C(F)(F)Cl 1675526 342957133 /nfs/dbraw/zinc/95/71/33/342957133.db2.gz BTPQMMIQQIDQKZ-UHFFFAOYSA-N 0 0 156.559 2.187 10 0 AEAERN CCCOC(=O)Nc1cccc(O)c1 1756341 342963850 /nfs/dbraw/zinc/96/38/50/342963850.db2.gz CNEBLWJNTBZOPL-UHFFFAOYSA-N 0 0 195.218 2.351 10 0 AEAERN Cc1ccc(C(=O)C(F)F)cc1 1726704 342962693 /nfs/dbraw/zinc/96/26/93/342962693.db2.gz RKOAJRSRPAQUFF-UHFFFAOYSA-N 0 0 170.158 2.443 10 0 AEAERN CCC/C=C(/CC)CO 2005683 342966214 /nfs/dbraw/zinc/96/62/14/342966214.db2.gz JSRFYJBJQPGAAA-VURMDHGXSA-N 0 0 128.215 2.115 10 0 in-vitro AEAERN CC(C)[C@@H]1CCC(=O)[C@H]1C 2003130 342966261 /nfs/dbraw/zinc/96/62/61/342966261.db2.gz VWBCFESGRRREEF-YUMQZZPRSA-N 0 0 140.226 2.258 10 0 AEAERN CCc1ccc(O)cc1C 2004399 342966269 /nfs/dbraw/zinc/96/62/69/342966269.db2.gz BUQNXFUMFXFRKC-UHFFFAOYSA-N 0 0 136.194 2.263 10 0 AEAERN C1=CCC=CCC=C1 2011432 342966463 /nfs/dbraw/zinc/96/64/63/342966463.db2.gz LHNSMWDERKGLJK-UHFFFAOYSA-N 0 0 106.168 2.449 10 0 in-vitro AEAERN Cc1ccc(C(C)C)c(O)c1N 2539583 342975407 /nfs/dbraw/zinc/97/54/07/342975407.db2.gz SCBMXGBZXCDNLH-UHFFFAOYSA-N 0 0 165.236 2.406 10 0 AEAERN CC(C)C1=CCN(C(C)(C)C)CC1=O 4322428 342990412 /nfs/dbraw/zinc/99/04/12/342990412.db2.gz PPZAZMNMRAMIPD-UHFFFAOYSA-N 0 0 195.306 2.252 10 0 AEAERN CC1(C)[C@H]2CC[C@@]13CSN1O[C@]13C2 4342941 342991054 /nfs/dbraw/zinc/99/10/54/342991054.db2.gz GJXOOJSGIMRTIA-KAHWVJTKSA-N 0 0 197.303 2.418 10 0 AEAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OC=O)C2 5455868 343003148 /nfs/dbraw/zinc/00/31/48/343003148.db2.gz RDWUNORUTVEHJF-YWVKMMECSA-N 0 0 182.263 2.374 10 0 AEAERN O=C1CCC[C@@H]2[C@H]1C2(Cl)Cl 5480463 343003495 /nfs/dbraw/zinc/00/34/95/343003495.db2.gz DUPNMSFQEBPXHS-INEUFUBQSA-N 0 0 179.046 2.159 10 0 AEAERN CCC(C)(C)C(=O)N1CCCCC1 5501079 343003899 /nfs/dbraw/zinc/00/38/99/343003899.db2.gz GNCAKAOPMUYQNN-UHFFFAOYSA-N 0 0 183.295 2.435 10 0 AEAERN CCCCOCC(C)C 5514088 343004307 /nfs/dbraw/zinc/00/43/07/343004307.db2.gz VDHBXQMYKGNZRP-UHFFFAOYSA-N 0 0 130.231 2.459 10 0 AEAERN CCN=Nc1ccc([N+](=O)[O-])cc1 5566369 343005162 /nfs/dbraw/zinc/00/51/62/343005162.db2.gz YVDNNYWGYXGGCI-XNWCZRBMSA-N 0 0 179.179 2.012 10 0 AEAERN Cc1cccc(OCCC(N)=S)c1 5592810 343005513 /nfs/dbraw/zinc/00/55/13/343005513.db2.gz WCPVBQFJWIEXLL-UHFFFAOYSA-N 0 0 195.287 2.050 10 0 AEAERN Cc1ccc(OCCC(N)=S)cc1 5592771 343005518 /nfs/dbraw/zinc/00/55/18/343005518.db2.gz MUUQWZKMRIIKJV-UHFFFAOYSA-N 0 0 195.287 2.050 10 0 AEAERN CC1(C)CCc2c(O)cc(O)cc2O1 5705865 343006698 /nfs/dbraw/zinc/00/66/98/343006698.db2.gz QLZWHJYEWYUYLZ-UHFFFAOYSA-N 0 0 194.230 2.201 10 0 AEAERN CCc1cc(O)ccc1C 5688565 343006719 /nfs/dbraw/zinc/00/67/19/343006719.db2.gz BTRPJOHXPQOVLS-UHFFFAOYSA-N 0 0 136.194 2.263 10 0 endogenous,in-man AEAERN CCc1c(C)cccc1O 5688529 343006750 /nfs/dbraw/zinc/00/67/50/343006750.db2.gz OCKYMBMCPOAFLL-UHFFFAOYSA-N 0 0 136.194 2.263 10 0 AEAERN CN(N=O)c1ccc(N=O)cc1 5699151 343006765 /nfs/dbraw/zinc/00/67/65/343006765.db2.gz FMGUJLASXUBMOP-UHFFFAOYSA-N 0 0 165.152 2.202 10 0 in-vitro AEAERN CCC(C)(C)C(=O)NC(C)(C)C 5501128 343003875 /nfs/dbraw/zinc/00/38/75/343003875.db2.gz ZBRRLABBHRYWNV-UHFFFAOYSA-N 0 0 171.284 2.337 10 0 AEAERN Cc1nc(-c2ccccc2O)[nH]c1C 5891565 343009184 /nfs/dbraw/zinc/00/91/84/343009184.db2.gz IGYRYVXSMLUMTF-UHFFFAOYSA-N 0 0 188.230 2.399 10 0 AEAERN COC1C2CC3CC(C2)CC1C3 5997765 343011136 /nfs/dbraw/zinc/01/11/36/343011136.db2.gz FYDHICUFQYUQPE-UHFFFAOYSA-N 0 0 166.264 2.458 10 0 AEAERN COC12C=CC(CC1)CC2 5997679 343011183 /nfs/dbraw/zinc/01/11/83/343011183.db2.gz FWPZEMDZGYCLDY-UHFFFAOYSA-N 0 0 138.210 2.132 10 0 AEAERN CC1=C2CC[C@H](C)C[C@@H]2OC1=O 6037453 343011470 /nfs/dbraw/zinc/01/14/70/343011470.db2.gz VUVQBYIJRDUVHT-RCOVLWMOSA-N 0 0 166.220 2.048 10 0 endogenous,in-man AEAERN CC1=C2CC[C@@H](C)C[C@H]2OC1=O 6030766 343011575 /nfs/dbraw/zinc/01/15/75/343011575.db2.gz VUVQBYIJRDUVHT-HZGVNTEJSA-N 0 0 166.220 2.048 10 0 endogenous,in-man AEAERN C[C@]12CCC[C@](C)(CC1)C2O 6032267 343011584 /nfs/dbraw/zinc/01/15/84/343011584.db2.gz VLRZZNSBIMFXGK-PBINXNQUSA-N 0 0 154.253 2.338 10 0 AEAERN C[C@H]1CCCC(C)(C)[C@@H]1CO 6037495 343011986 /nfs/dbraw/zinc/01/19/86/343011986.db2.gz WIYBEAHUAVVOHR-DTWKUNHWSA-N 0 0 156.269 2.441 10 0 AEAERN Cc1ccc(NC=O)c(Cl)c1 6070616 343012408 /nfs/dbraw/zinc/01/24/08/343012408.db2.gz PNFYXLLGJRVGAU-UHFFFAOYSA-N 0 0 169.611 2.217 10 0 AEAERN Cc1cc(C(C)C)oc(=O)c1 6070218 343012410 /nfs/dbraw/zinc/01/24/10/343012410.db2.gz YYWNAZJLTICGGQ-UHFFFAOYSA-N 0 0 152.193 2.072 10 0 AEAERN Fc1ccccc1Nc1ncccn1 6665761 343016078 /nfs/dbraw/zinc/01/60/78/343016078.db2.gz JIOZDHUTZSORPE-UHFFFAOYSA-N 0 0 189.193 2.359 10 0 AEAERN CCCC[C@H](CC)n1[nH]c(=O)cc1N 6810780 343016759 /nfs/dbraw/zinc/01/67/59/343016759.db2.gz FRPZESRBXNVXGP-QMMMGPOBSA-N 0 0 197.282 2.312 10 0 AEAERN CCc1c(CO)csc1C 6857811 343016767 /nfs/dbraw/zinc/01/67/67/343016767.db2.gz NLWHUJDXBQPFQQ-UHFFFAOYSA-N 0 0 156.250 2.111 10 0 AEAERN Cc1ccc(-c2cncnc2N)cc1 6814383 343016790 /nfs/dbraw/zinc/01/67/90/343016790.db2.gz YQEZHVXMMAAHSU-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN C[C@H](N)c1ncc(-c2cccs2)o1 11587046 343023041 /nfs/dbraw/zinc/02/30/41/343023041.db2.gz LSZHDGSAMOVKIT-LURJTMIESA-N 0 0 194.259 2.423 10 0 AEAERN CC[C@]1(C)N=N[C@](C)(CC)C1O 12410203 343030870 /nfs/dbraw/zinc/03/08/70/343030870.db2.gz HAMHJPQBXIKCTK-CBLAIPOGSA-N 0 0 170.256 2.151 10 0 AEAERN C[C@@H]1C(=O)C[C@@H]2C[C@H]1C2(C)C 13521393 343035656 /nfs/dbraw/zinc/03/56/56/343035656.db2.gz MQPHVIPKLRXGDJ-BIIVOSGPSA-N 0 0 152.237 2.258 10 0 endogenous,in-man AEAERN Cc1ccc(/C=C/CO)c(C)c1 13525889 343035657 /nfs/dbraw/zinc/03/56/57/343035657.db2.gz FJCHNTCMJBJULO-ONEGZZNKSA-N 0 0 162.232 2.309 10 0 AEAERN CC(C)Cc1ncc(C(C)C)[nH]c1=O 14591762 343039543 /nfs/dbraw/zinc/03/95/43/343039543.db2.gz VRFLYCYGTDKKKO-UHFFFAOYSA-N 0 0 194.278 2.092 10 0 AEAERN CN(c1ccccc1)C1CC1 17787302 343047520 /nfs/dbraw/zinc/04/75/20/343047520.db2.gz QKSRPYRLBYHEFR-UHFFFAOYSA-N 0 0 147.221 2.285 10 0 AEAERN Cc1cnc2occc2c1 18551772 343048869 /nfs/dbraw/zinc/04/88/69/343048869.db2.gz JYXNDAARYLTGLQ-UHFFFAOYSA-N 0 0 133.150 2.136 10 0 AEAERN Cc1cc2occc2cn1 18544457 343048909 /nfs/dbraw/zinc/04/89/09/343048909.db2.gz BXWFPNZMDPPYML-UHFFFAOYSA-N 0 0 133.150 2.136 10 0 AEAERN CN(N(C)C(C)(C)C)C(C)(C)C 19170259 343051944 /nfs/dbraw/zinc/05/19/44/343051944.db2.gz VATBYYOLJRJKRB-UHFFFAOYSA-N 0 0 172.316 2.362 10 0 AEAERN C[C@H](NO)c1ccc(Cl)cc1 19728789 343059070 /nfs/dbraw/zinc/05/90/70/343059070.db2.gz JCXJKHXJTHJRAC-LURJTMIESA-N 0 0 171.627 2.380 10 0 AEAERN CNc1ccc(F)cc1C 20054482 343066703 /nfs/dbraw/zinc/06/67/03/343066703.db2.gz JWQUBAUGVPTBAE-UHFFFAOYSA-N 0 0 139.173 2.176 10 0 AEAERN Cc1ccc(N2CCC=N2)cc1 21995250 343077159 /nfs/dbraw/zinc/07/71/59/343077159.db2.gz ORDKRLFWJUCKCT-UHFFFAOYSA-N 0 0 160.220 2.191 10 0 AEAERN CC[P@](=O)(OC)c1ccccc1 21998545 343077538 /nfs/dbraw/zinc/07/75/38/343077538.db2.gz DCQZDJAENFZGLV-LBPRGKRZSA-N 0 0 184.175 2.256 10 0 AEAERN CC[P@@](=O)(OC)c1ccccc1 21998541 343077585 /nfs/dbraw/zinc/07/75/85/343077585.db2.gz DCQZDJAENFZGLV-GFCCVEGCSA-N 0 0 184.175 2.256 10 0 AEAERN Cc1cc2nc(C)n(C)c2cc1C 21175884 343075227 /nfs/dbraw/zinc/07/52/27/343075227.db2.gz HMGDYVISXLGKFB-UHFFFAOYSA-N 0 0 174.247 2.499 10 0 AEAERN CC1CC(C(=O)C2CC2)C1 23837408 343084486 /nfs/dbraw/zinc/08/44/86/343084486.db2.gz ZQMROIJHYXEKCV-UHFFFAOYSA-N 0 0 138.210 2.012 10 0 AEAERN CCc1coc2ncccc12 24429120 343085780 /nfs/dbraw/zinc/08/57/80/343085780.db2.gz VBGKQFWCRHHPAT-UHFFFAOYSA-N 0 0 147.177 2.390 10 0 AEAERN CC[C@@H](O)c1cnc2c(C)cccn12 31933367 343094905 /nfs/dbraw/zinc/09/49/05/343094905.db2.gz QERNHUMRIBBTOS-SNVBAGLBSA-N 0 0 190.246 2.086 10 0 AEAERN CC[C@@H](O)Cc1ccccc1C 32006299 343095755 /nfs/dbraw/zinc/09/57/55/343095755.db2.gz VIQQKEOGNRVAQK-LLVKDONJSA-N 0 0 164.248 2.308 10 0 AEAERN CC[C@@H](O)Cc1cccc(C)c1 32006303 343095775 /nfs/dbraw/zinc/09/57/75/343095775.db2.gz HCEINVQMALKHRT-LLVKDONJSA-N 0 0 164.248 2.308 10 0 AEAERN Cc1ccc(C(C)(C)CO)cc1 32006298 343095797 /nfs/dbraw/zinc/09/57/97/343095797.db2.gz KJEGOACBZWCEBD-UHFFFAOYSA-N 0 0 164.248 2.265 10 0 in-vitro AEAERN Cc1ccc(C(=O)C2CC2)cc1N 32006830 343095801 /nfs/dbraw/zinc/09/58/01/343095801.db2.gz ZCGCCFNVNFFQRP-UHFFFAOYSA-N 0 0 175.231 2.170 10 0 AEAERN Cc1cc(C(=O)C2CC2)ccc1N 32006833 343095804 /nfs/dbraw/zinc/09/58/04/343095804.db2.gz VQYAYZHGQMMOKQ-UHFFFAOYSA-N 0 0 175.231 2.170 10 0 AEAERN Cc1c(N)n[nH]c1-c1cccc(F)c1 26511437 343089224 /nfs/dbraw/zinc/08/92/24/343089224.db2.gz BTUZWVHGRXPRAP-UHFFFAOYSA-N 0 0 191.209 2.106 10 0 AEAERN CC(C)[C@H](C)Nc1ccc(N)cn1 26516020 343089580 /nfs/dbraw/zinc/08/95/80/343089580.db2.gz UUCIIYKRLLFDLF-QMMMGPOBSA-N 0 0 179.267 2.120 10 0 AEAERN Cc1cnn(CC2CCCCC2)c1N 26516531 343089663 /nfs/dbraw/zinc/08/96/63/343089663.db2.gz BKNKZFCOLSTXGO-UHFFFAOYSA-N 0 0 193.294 2.354 10 0 AEAERN CCc1nc(-c2cccc(O)c2)no1 26516392 343089790 /nfs/dbraw/zinc/08/97/90/343089790.db2.gz PPUXNFRJGLEWTH-UHFFFAOYSA-N 0 0 190.202 2.005 10 0 AEAERN Cc1nccc2c(O)cccc12 27417748 343091081 /nfs/dbraw/zinc/09/10/81/343091081.db2.gz BKMZNTDCSUNCMV-UHFFFAOYSA-N 0 0 159.188 2.249 10 0 AEAERN Cc1cnc(C)c(C(C)C)n1 32149358 343098119 /nfs/dbraw/zinc/09/81/19/343098119.db2.gz NJTFLPVGROFSPU-UHFFFAOYSA-N 0 0 150.225 2.217 10 0 AEAERN CC[C@H]1C(=O)CCC[C@H]1C 32155842 343098939 /nfs/dbraw/zinc/09/89/39/343098939.db2.gz HTQHLWXFLJBAPR-HTQZYQBOSA-N 0 0 140.226 2.402 10 0 AEAERN C[C@H]1Cc2ccccc2[C@H](O)C1 32157834 343098952 /nfs/dbraw/zinc/09/89/52/343098952.db2.gz QWNQGLDZMQCYLU-GZMMTYOYSA-N 0 0 162.232 2.302 10 0 AEAERN O=C1CC[C@H](CCc2ccccc2)O1 32158583 343098953 /nfs/dbraw/zinc/09/89/53/343098953.db2.gz ONECXZFGYJSVIF-NSHDSACASA-N 0 0 190.242 2.325 10 0 AEAERN Cc1cnc(Cc2ccc[nH]2)c(C)n1 32175178 343099748 /nfs/dbraw/zinc/09/97/48/343099748.db2.gz ZNMRMMSYVMEDAJ-UHFFFAOYSA-N 0 0 187.246 2.012 10 0 AEAERN CC(C)c1cc(O)ccc1N 32174391 343099755 /nfs/dbraw/zinc/09/97/55/343099755.db2.gz HWYSAVAYUJTSLU-UHFFFAOYSA-N 0 0 151.209 2.098 10 0 in-vitro AEAERN CC(C)Nc1ccccc1O 32174394 343099771 /nfs/dbraw/zinc/09/97/71/343099771.db2.gz BLCSQUZTWKPKSR-UHFFFAOYSA-N 0 0 151.209 2.213 10 0 AEAERN OC1(C2=CCCC2)CCCC1 32170710 343099791 /nfs/dbraw/zinc/09/97/91/343099791.db2.gz RLDBZCBITSUSOW-UHFFFAOYSA-N 0 0 152.237 2.402 10 0 AEAERN Cc1cccc(OC(=O)C2CC2)c1 32180009 343099795 /nfs/dbraw/zinc/09/97/95/343099795.db2.gz WGLQWJBSGPCLSV-UHFFFAOYSA-N 0 0 176.215 2.310 10 0 AEAERN Cc1cnc(C)c(Cc2ccc[nH]2)n1 32175183 343099797 /nfs/dbraw/zinc/09/97/97/343099797.db2.gz GLPZVZHBMYAUNA-UHFFFAOYSA-N 0 0 187.246 2.012 10 0 AEAERN CCSc1cccnc1 32178666 343099804 /nfs/dbraw/zinc/09/98/04/343099804.db2.gz JAGVCPHIQXGPHB-UHFFFAOYSA-N 0 0 139.223 2.194 10 0 AEAERN C[C@H]1CCCCC(=O)C1 32183927 343100197 /nfs/dbraw/zinc/10/01/97/343100197.db2.gz GSYFDULLCGVSNJ-ZETCQYMHSA-N 0 0 126.199 2.156 10 0 AEAERN Cc1nnc2ccccc2c1C 32197210 343100637 /nfs/dbraw/zinc/10/06/37/343100637.db2.gz FNBCNZVYOVGSRD-UHFFFAOYSA-N 0 0 158.204 2.247 10 0 AEAERN Cc1cccc(C[C@H](O)C2CC2)c1 32006927 343095942 /nfs/dbraw/zinc/09/59/42/343095942.db2.gz OCGBHZHOBWCIMR-LBPRGKRZSA-N 0 0 176.259 2.308 10 0 AEAERN Cc1cccc(NCC(C)(C)O)c1 32007361 343096204 /nfs/dbraw/zinc/09/62/04/343096204.db2.gz CKFWKZUPEYXUHA-UHFFFAOYSA-N 0 0 179.263 2.178 10 0 AEAERN Cc1ccc(Cl)cc1NC[C@H](C)O 32009850 343097156 /nfs/dbraw/zinc/09/71/56/343097156.db2.gz LIHQLNMPGVHSNF-QMMMGPOBSA-N 0 0 199.681 2.441 10 0 AEAERN CC[C@@H](O)CCOc1ccc(F)cc1 32009638 343097174 /nfs/dbraw/zinc/09/71/74/343097174.db2.gz OVDZTBWRMPBYQT-SNVBAGLBSA-N 0 0 198.237 2.366 10 0 AEAERN Cc1cccc(Cc2c[nH]cn2)c1 33876215 343107603 /nfs/dbraw/zinc/10/76/03/343107603.db2.gz SSXNHDVBINJCKY-UHFFFAOYSA-N 0 0 172.231 2.309 10 0 AEAERN FC(F)(F)Sc1ncccn1 33944404 343107612 /nfs/dbraw/zinc/10/76/12/343107612.db2.gz KHUPUHPMJHZUHB-UHFFFAOYSA-N 0 0 180.154 2.089 10 0 AEAERN CCCC1=NC[C@H](C)N=C1C 33951722 343108077 /nfs/dbraw/zinc/10/80/77/343108077.db2.gz SGOSUXXYOOOVJA-ZETCQYMHSA-N 0 0 152.241 2.091 10 0 AEAERN C=Cc1ccc(O)c(C)c1 33951675 343108078 /nfs/dbraw/zinc/10/80/78/343108078.db2.gz QKJHNPXSYSFZMJ-UHFFFAOYSA-N 0 0 134.178 2.344 10 0 AEAERN CCc1c(C)cc(OC)nc1C 33952440 343108091 /nfs/dbraw/zinc/10/80/91/343108091.db2.gz HUINGBHTGJYVMZ-UHFFFAOYSA-N 0 0 165.236 2.269 10 0 AEAERN CCCC1=N[C@@H](C)CN=C1C 33951739 343108094 /nfs/dbraw/zinc/10/80/94/343108094.db2.gz LHJIVHNJPDHETF-ZETCQYMHSA-N 0 0 152.241 2.091 10 0 AEAERN C[C@H]1Cc2ccccc2CO1 33952026 343108104 /nfs/dbraw/zinc/10/81/04/343108104.db2.gz PYVOFBZTCULYKU-QMMMGPOBSA-N 0 0 148.205 2.148 10 0 AEAERN CCCC1=N[C@H](C)CN=C1C 33951738 343108135 /nfs/dbraw/zinc/10/81/35/343108135.db2.gz LHJIVHNJPDHETF-SSDOTTSWSA-N 0 0 152.241 2.091 10 0 AEAERN Cc1cc(N)c2ccccc2c1N 33978749 343108665 /nfs/dbraw/zinc/10/86/65/343108665.db2.gz BCKLPBBBFNWJHH-UHFFFAOYSA-N 0 0 172.231 2.313 10 0 AEAERN C[C@H](CO)CCc1ccccc1 33975208 343108674 /nfs/dbraw/zinc/10/86/74/343108674.db2.gz ITWNJDOHTYFDHG-JTQLQIEISA-N 0 0 164.248 2.248 10 0 AEAERN CCc1ccc(/C=C\C(=O)OC)cc1 33337018 343104240 /nfs/dbraw/zinc/10/42/40/343104240.db2.gz QIOWPRYONMOYMW-HJWRWDBZSA-N 0 0 190.242 2.435 10 0 AEAERN C=CC(=O)OCc1ccc(C)cc1 33364588 343104578 /nfs/dbraw/zinc/10/45/78/343104578.db2.gz HEKMZTKFODLXOP-UHFFFAOYSA-N 0 0 176.215 2.224 10 0 AEAERN C[C@H](c1cccc(N)c1)n1cccn1 33426851 343104601 /nfs/dbraw/zinc/10/46/01/343104601.db2.gz RFMSAIXMCZPZSS-SECBINFHSA-N 0 0 187.246 2.075 10 0 AEAERN CC[C@@]1(O)CCc2ccccc21 33609983 343105928 /nfs/dbraw/zinc/10/59/28/343105928.db2.gz ORIMZVQZPYTJKI-LLVKDONJSA-N 0 0 162.232 2.230 10 0 AEAERN CCc1cc(Cl)cc(N)c1O 33756347 343106358 /nfs/dbraw/zinc/10/63/58/343106358.db2.gz ZJCIKASBHYGEDG-UHFFFAOYSA-N 0 0 171.627 2.190 10 0 AEAERN FC(F)(F)[C@H]1Nc2ccccc2O1 34111816 343110868 /nfs/dbraw/zinc/11/08/68/343110868.db2.gz JQVJDEVGWYUWQO-ZETCQYMHSA-N 0 0 189.136 2.379 10 0 AEAERN FC(F)(F)[C@@H]1Nc2ccccc2O1 34111817 343110881 /nfs/dbraw/zinc/11/08/81/343110881.db2.gz JQVJDEVGWYUWQO-SSDOTTSWSA-N 0 0 189.136 2.379 10 0 AEAERN Cc1cc(=O)oc2ccc(F)cc12 34141389 343111843 /nfs/dbraw/zinc/11/18/43/343111843.db2.gz RKLKOHCQMVLSSE-UHFFFAOYSA-N 0 0 178.162 2.241 10 0 AEAERN Cc1csc(-c2nnc(N)s2)c1 34163261 343112360 /nfs/dbraw/zinc/11/23/60/343112360.db2.gz ZTTSDENXUCJCIX-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN CC[C@H](C)C[C@H](C)C(=O)OC 34187389 343112736 /nfs/dbraw/zinc/11/27/36/343112736.db2.gz HPQMADMQZLWGED-YUMQZZPRSA-N 0 0 158.241 2.232 10 0 AEAERN O=C1CCC[C@@H]1c1ccco1 34195119 343113249 /nfs/dbraw/zinc/11/32/49/343113249.db2.gz BYEUNVDZARCFMT-ZETCQYMHSA-N 0 0 150.177 2.116 10 0 AEAERN Cc1nc(N)c(-c2ccccc2)o1 34260938 343114893 /nfs/dbraw/zinc/11/48/93/343114893.db2.gz HHVNJLGSEBDEBD-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN CSc1cc(-c2ccncc2)on1 34260338 343114896 /nfs/dbraw/zinc/11/48/96/343114896.db2.gz ZOTCBBLKASCQFM-UHFFFAOYSA-N 0 0 192.243 2.459 10 0 AEAERN Cc1cc(C)c(C)c(C=O)c1 34320394 343116422 /nfs/dbraw/zinc/11/64/22/343116422.db2.gz QFXWUMMPVFEBNZ-UHFFFAOYSA-N 0 0 148.205 2.424 10 0 AEAERN CCc1cccnc1CC 34355560 343117020 /nfs/dbraw/zinc/11/70/20/343117020.db2.gz YXZUDXLWSOZHFN-UHFFFAOYSA-N 0 0 135.210 2.206 10 0 AEAERN C[C@@H](CCO)COCc1ccccc1 34337922 343117205 /nfs/dbraw/zinc/11/72/05/343117205.db2.gz YPCBWMAEYXORKY-NSHDSACASA-N 0 0 194.274 2.222 10 0 AEAERN Cc1ccc2c(c1)nc(C)n2C 34406563 343118185 /nfs/dbraw/zinc/11/81/85/343118185.db2.gz LPBNGTROYDCENQ-UHFFFAOYSA-N 0 0 160.220 2.190 10 0 AEAERN CCCCSc1nncs1 34427815 343118912 /nfs/dbraw/zinc/11/89/12/343118912.db2.gz CIWCQYCELZSYCH-UHFFFAOYSA-N 0 0 174.294 2.430 10 0 AEAERN CN1CCC[C@H](c2ccccc2)C1=O 34439036 343119316 /nfs/dbraw/zinc/11/93/16/343119316.db2.gz UVOAMZKGYHTVMF-LLVKDONJSA-N 0 0 189.258 2.022 10 0 AEAERN CN1CCC[C@@H](c2ccccc2)C1=O 34439037 343119393 /nfs/dbraw/zinc/11/93/93/343119393.db2.gz UVOAMZKGYHTVMF-NSHDSACASA-N 0 0 189.258 2.022 10 0 AEAERN OCCCC[C@@H]1C=CCC1 34447171 343119398 /nfs/dbraw/zinc/11/93/98/343119398.db2.gz NXNZCULJPZPHIU-SECBINFHSA-N 0 0 140.226 2.115 10 0 AEAERN COc1cc2c(cc1F)C(=O)CCC2 34438715 343119416 /nfs/dbraw/zinc/11/94/16/343119416.db2.gz AHRLJDRNPULHKK-UHFFFAOYSA-N 0 0 194.205 2.353 10 0 AEAERN C[C@H]1OC(=O)Nc2ccccc21 34260247 343114947 /nfs/dbraw/zinc/11/49/47/343114947.db2.gz GSFUCNKFTKSDSD-ZCFIWIBFSA-N 0 0 163.176 2.310 10 0 AEAERN CC(C)[C@](C)(O)Cc1ccncc1 34260883 343114966 /nfs/dbraw/zinc/11/49/66/343114966.db2.gz JFPYBWDUAPUZEK-LLVKDONJSA-N 0 0 179.263 2.031 10 0 AEAERN Cc1cc(N)c(C)c(Cl)c1O 34263564 343114970 /nfs/dbraw/zinc/11/49/70/343114970.db2.gz TVUSWHXVFIVVPS-UHFFFAOYSA-N 0 0 171.627 2.245 10 0 AEAERN C[C@@H]1OC(=O)Nc2ccccc21 34260248 343114979 /nfs/dbraw/zinc/11/49/79/343114979.db2.gz GSFUCNKFTKSDSD-LURJTMIESA-N 0 0 163.176 2.310 10 0 AEAERN CC(C)[C@@](C)(O)Cc1ccncc1 34260884 343114980 /nfs/dbraw/zinc/11/49/80/343114980.db2.gz JFPYBWDUAPUZEK-NSHDSACASA-N 0 0 179.263 2.031 10 0 AEAERN CC[C@@]1(C)C(=O)Nc2ccccc21 34278243 343115346 /nfs/dbraw/zinc/11/53/46/343115346.db2.gz CTCPDMGHAXUIGH-LLVKDONJSA-N 0 0 175.231 2.306 10 0 AEAERN OCCCc1cccc2ccncc12 34276628 343115347 /nfs/dbraw/zinc/11/53/47/343115347.db2.gz WKELMNIBYOBWSX-UHFFFAOYSA-N 0 0 187.242 2.160 10 0 AEAERN CC[C@]1(C)C(=O)Nc2ccccc21 34278244 343115356 /nfs/dbraw/zinc/11/53/56/343115356.db2.gz CTCPDMGHAXUIGH-NSHDSACASA-N 0 0 175.231 2.306 10 0 AEAERN COc1ccc(C=O)c(SC)c1 34278431 343115359 /nfs/dbraw/zinc/11/53/59/343115359.db2.gz CDSPNSDRKJIHGY-UHFFFAOYSA-N 0 0 182.244 2.230 10 0 AEAERN CCc1cc(C)nc(=S)[nH]1 34276357 343115364 /nfs/dbraw/zinc/11/53/64/343115364.db2.gz CDQPDCSTGBHZBI-UHFFFAOYSA-N 0 0 154.238 2.010 10 0 AEAERN Cc1ncsc1Cl 34275810 343115403 /nfs/dbraw/zinc/11/54/03/343115403.db2.gz UASIDVJACYZUNC-UHFFFAOYSA-N 0 0 133.603 2.105 10 0 AEAERN CCc1cccc(OC)c1 34283077 343115697 /nfs/dbraw/zinc/11/56/97/343115697.db2.gz SSSWAHLZTJVIOS-UHFFFAOYSA-N 0 0 135.186 2.072 10 0 AEAERN CCCCN1CN1CCCC 34286678 343115699 /nfs/dbraw/zinc/11/56/99/343115699.db2.gz CXNIFVRMDAOLKY-UHFFFAOYSA-N 0 0 156.273 2.077 10 0 AEAERN C=CC[C@H]1CCC(OCC)=CC1=O 34286294 343115708 /nfs/dbraw/zinc/11/57/08/343115708.db2.gz FNWFIISKDUVQCW-VIFPVBQESA-N 0 0 180.247 2.462 10 0 AEAERN Cc1cncc2ccoc12 34284903 343115817 /nfs/dbraw/zinc/11/58/17/343115817.db2.gz NYTYYKRMSJSVGW-UHFFFAOYSA-N 0 0 133.150 2.136 10 0 AEAERN O[C@@H](c1ccccc1)c1ccc[nH]1 34291169 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Cc1c(O)c(N)cc2ccoc12 39136111 343204244 /nfs/dbraw/zinc/20/42/44/343204244.db2.gz GLIGUTWSSCUGRM-UHFFFAOYSA-N 0 0 163.176 2.029 10 0 AEAERN C[C@H](O)c1cccc2occc12 39136499 343204505 /nfs/dbraw/zinc/20/45/05/343204505.db2.gz KXDNUFJMIAMEBI-ZETCQYMHSA-N 0 0 162.188 2.486 10 0 AEAERN Cc1cc2ccc(=O)[nH]c2cc1C 39147841 343205000 /nfs/dbraw/zinc/20/50/00/343205000.db2.gz DMDJSCQSLSIDCK-UHFFFAOYSA-N 0 0 173.215 2.145 10 0 AEAERN OCCCCCOc1ccccc1 39203110 343205719 /nfs/dbraw/zinc/20/57/19/343205719.db2.gz CDRCNCMLLKIQNT-UHFFFAOYSA-N 0 0 180.247 2.228 10 0 AEAERN CC(C)Cc1ccc[nH]1 39208197 343206073 /nfs/dbraw/zinc/20/60/73/343206073.db2.gz GABVVEAQQFIHHQ-UHFFFAOYSA-N 0 0 123.199 2.213 10 0 AEAERN C1=C[C@@H]2[C@H](O1)O[C@H]2c1ccccc1 39208623 343206077 /nfs/dbraw/zinc/20/60/77/343206077.db2.gz IAYOKFOXVJACHW-GARJFASQSA-N 0 0 174.199 2.244 10 0 AEAERN CC1(C)C[C@@]2(C)C[C@@H]1CC2=O 39205646 343206079 /nfs/dbraw/zinc/20/60/79/343206079.db2.gz BGKHEYBJLXKPGX-OIBJUYFYSA-N 0 0 152.237 2.402 10 0 AEAERN CCc1ccc(C)cc1N 39208678 343206128 /nfs/dbraw/zinc/20/61/28/343206128.db2.gz FIMHITJJXWDMDZ-UHFFFAOYSA-N 0 0 135.210 2.140 10 0 AEAERN CCOC(=O)[C@@H](C)c1ccc(F)cc1 39209809 343206141 /nfs/dbraw/zinc/20/61/41/343206141.db2.gz GITWYOVMVZFBDU-QMMMGPOBSA-N 0 0 196.221 2.492 10 0 AEAERN C=C/C=C/c1cccnc1 39206389 343206143 /nfs/dbraw/zinc/20/61/43/343206143.db2.gz SHTBYCFLSSDIBB-HWKANZROSA-N 0 0 131.178 2.281 10 0 AEAERN CCOC(=O)[C@H](C)c1ccc(F)cc1 39209810 343206168 /nfs/dbraw/zinc/20/61/68/343206168.db2.gz GITWYOVMVZFBDU-MRVPVSSYSA-N 0 0 196.221 2.492 10 0 AEAERN CCc1cc(C)cc2ccnn12 39133901 343203473 /nfs/dbraw/zinc/20/34/73/343203473.db2.gz RKCUYBXGCPLBBO-UHFFFAOYSA-N 0 0 160.220 2.205 10 0 AEAERN CCOC(=O)C[C@H](C)c1cccnc1 39274826 343209364 /nfs/dbraw/zinc/20/93/64/343209364.db2.gz AZVMTDLPURVDGH-VIFPVBQESA-N 0 0 193.246 2.138 10 0 AEAERN CCOC(=O)C[C@@H](C)c1cccnc1 39274825 343209377 /nfs/dbraw/zinc/20/93/77/343209377.db2.gz AZVMTDLPURVDGH-SECBINFHSA-N 0 0 193.246 2.138 10 0 AEAERN C[C@H]1CCC[C@](C)(O)CC1 39275056 343209380 /nfs/dbraw/zinc/20/93/80/343209380.db2.gz KARLNZMJUOJBJF-IUCAKERBSA-N 0 0 142.242 2.338 10 0 AEAERN CCCCc1nc2cc[nH]cc-2n1 39275290 343209387 /nfs/dbraw/zinc/20/93/87/343209387.db2.gz KVWWLDGBSOCRJL-UHFFFAOYSA-N 0 0 175.235 2.301 10 0 AEAERN C=C(Cl)C(=O)Nc1ccccc1 39274405 343209433 /nfs/dbraw/zinc/20/94/33/343209433.db2.gz KLQLSMICJDOHEV-UHFFFAOYSA-N 0 0 181.622 2.378 10 0 AEAERN Cc1cc(C=O)nc(-c2ccccc2)n1 39276541 343209742 /nfs/dbraw/zinc/20/97/42/343209742.db2.gz AXPRMYWOXWRCOZ-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN CCO[P@@]1(=O)CC=C(C)C1 39279173 343209774 /nfs/dbraw/zinc/20/97/74/343209774.db2.gz NIGVYSFNBDESKW-JTQLQIEISA-N 0 0 160.153 2.261 10 0 AEAERN CCO[P@]1(=O)CC=C(C)C1 39279174 343209780 /nfs/dbraw/zinc/20/97/80/343209780.db2.gz NIGVYSFNBDESKW-SNVBAGLBSA-N 0 0 160.153 2.261 10 0 AEAERN Cn1c(-c2ccccc2)csc1=O 39278055 343209812 /nfs/dbraw/zinc/20/98/12/343209812.db2.gz TYHHTFPMBTXNRJ-UHFFFAOYSA-N 0 0 191.255 2.114 10 0 AEAERN C1=C(c2ccccc2)OCC1 39223075 343206793 /nfs/dbraw/zinc/20/67/93/343206793.db2.gz AORCTCZLOYEMSE-UHFFFAOYSA-N 0 0 146.189 2.448 10 0 AEAERN CSC[C@@H]1Cc2ccccc2O1 39320720 343210592 /nfs/dbraw/zinc/21/05/92/343210592.db2.gz KLILPDVVTZYTRP-VIFPVBQESA-N 0 0 180.272 2.353 10 0 AEAERN CCc1ccc(O)c2c1CCC2=O 39339344 343210776 /nfs/dbraw/zinc/21/07/76/343210776.db2.gz GPRYSTRJEAAXDT-UHFFFAOYSA-N 0 0 176.215 2.084 10 0 AEAERN Cc1ccc([C@H](O)[C@@H]2CCCO2)cc1 40244275 343216057 /nfs/dbraw/zinc/21/60/57/343216057.db2.gz XYQWZVRQFSIHKE-RYUDHWBXSA-N 0 0 192.258 2.207 10 0 AEAERN C[C@H]1CCN(c2cccc(N)c2)C1 40717660 343221683 /nfs/dbraw/zinc/22/16/83/343221683.db2.gz YGSAXAIXQNQDHV-VIFPVBQESA-N 0 0 176.263 2.115 10 0 AEAERN C[C@H]1CCN(c2cccc(F)n2)C1 40726223 343222474 /nfs/dbraw/zinc/22/24/74/343222474.db2.gz HVPHZTVILKULEQ-QMMMGPOBSA-N 0 0 180.226 2.067 10 0 AEAERN CCc1cc(N[C@H](C)C(C)C)ncn1 40765076 343223222 /nfs/dbraw/zinc/22/32/22/343223222.db2.gz DFTIQGHLCGICGV-SECBINFHSA-N 0 0 193.294 2.495 10 0 AEAERN Cc1ccc(-c2cc(N)cc(N)c2)o1 41048897 343226961 /nfs/dbraw/zinc/22/69/61/343226961.db2.gz LLVOVYOLEWXINL-UHFFFAOYSA-N 0 0 188.230 2.419 10 0 AEAERN Cc1ccc(N[C@H](CO)C2CC2)cc1 41047678 343227088 /nfs/dbraw/zinc/22/70/88/343227088.db2.gz WRWUCHCJTSLHGH-GFCCVEGCSA-N 0 0 191.274 2.178 10 0 AEAERN CC(C)[C@H](CO)Nc1ccc(F)cc1 41049634 343227419 /nfs/dbraw/zinc/22/74/19/343227419.db2.gz TUCBHGLOVUFIOJ-NSHDSACASA-N 0 0 197.253 2.255 10 0 AEAERN CC1CCC(Nc2ccncn2)CC1 40863019 343223559 /nfs/dbraw/zinc/22/35/59/343223559.db2.gz SLUKOJFPJRJCDO-UHFFFAOYSA-N 0 0 191.278 2.467 10 0 AEAERN C[C@H]1CCCC[C@@H]1Nc1ccncn1 40862988 343223585 /nfs/dbraw/zinc/22/35/85/343223585.db2.gz UBAQKXLZPBUOTJ-UWVGGRQHSA-N 0 0 191.278 2.467 10 0 AEAERN CCc1c(C)nc(N(C)C)nc1Cl 40887697 343223597 /nfs/dbraw/zinc/22/35/97/343223597.db2.gz SIYKAXGYCOCFKT-UHFFFAOYSA-N 0 0 199.685 2.067 10 0 AEAERN CCCSCCOCC 41364108 343234135 /nfs/dbraw/zinc/23/41/35/343234135.db2.gz DEDBXYGNFOLHMY-UHFFFAOYSA-N 0 0 148.271 2.166 10 0 AEAERN CC(C)Cc1nc(C(C)C)n[nH]1 41057263 343229052 /nfs/dbraw/zinc/22/90/52/343229052.db2.gz YNYBGYJEMRELEH-UHFFFAOYSA-N 0 0 167.256 2.127 10 0 AEAERN CC(C)c1nc(-c2ccoc2)n[nH]1 41057197 343229239 /nfs/dbraw/zinc/22/92/39/343229239.db2.gz CFCNGOAQWVSCND-UHFFFAOYSA-N 0 0 177.207 2.188 10 0 AEAERN CC1(Nc2ccc(N)cn2)CCCC1 42176523 343237618 /nfs/dbraw/zinc/23/76/18/343237618.db2.gz RGZBFDUQRPFNNU-UHFFFAOYSA-N 0 0 191.278 2.408 10 0 AEAERN Cc1ccc(C)n1CCn1ccnc1 42542584 343245282 /nfs/dbraw/zinc/24/52/82/343245282.db2.gz JYSOZCHJZROSBD-UHFFFAOYSA-N 0 0 189.262 2.002 10 0 AEAERN CC[C@@H](Nc1cnccn1)C(C)C 42591136 343248288 /nfs/dbraw/zinc/24/82/88/343248288.db2.gz ZIXVMBGBCSFWKW-SECBINFHSA-N 0 0 179.267 2.323 10 0 AEAERN C1=C[C@@]2(C=Nc3ccccc32)COC1 42689576 343248308 /nfs/dbraw/zinc/24/83/08/343248308.db2.gz PPRDTJPDSTTYLH-GFCCVEGCSA-N 0 0 185.226 2.227 10 0 AEAERN CC[C@H](Nc1ncccn1)C(C)C 42591146 343248309 /nfs/dbraw/zinc/24/83/09/343248309.db2.gz JQMFDXOKMAIUIT-VIFPVBQESA-N 0 0 179.267 2.323 10 0 AEAERN CC[C@@H](Nc1ncccn1)C(C)C 42591148 343248311 /nfs/dbraw/zinc/24/83/11/343248311.db2.gz JQMFDXOKMAIUIT-SECBINFHSA-N 0 0 179.267 2.323 10 0 AEAERN C[C@H]1CCCC[C@@H]1CN1CCC(=O)C1 42863754 343250243 /nfs/dbraw/zinc/25/02/43/343250243.db2.gz TVUFHTAHWSMMBC-WDEREUQCSA-N 0 0 195.306 2.088 10 0 AEAERN COCC(=O)c1cc(C)c(F)c(C)c1 43504816 343252715 /nfs/dbraw/zinc/25/27/15/343252715.db2.gz FHBFXTQJPNACGI-UHFFFAOYSA-N 0 0 196.221 2.272 10 0 AEAERN Cc1ccc([C@@H](N)c2ccco2)o1 43606792 343256572 /nfs/dbraw/zinc/25/65/72/343256572.db2.gz JBGXRPVNBOTNAA-JTQLQIEISA-N 0 0 177.203 2.229 10 0 AEAERN Cc1cc(C(=O)[C@H]2CCCO2)c(C)o1 43609455 343256590 /nfs/dbraw/zinc/25/65/90/343256590.db2.gz DVGFSRIAMNHNOT-SNVBAGLBSA-N 0 0 194.230 2.258 10 0 AEAERN CNC(c1ccco1)c1ccco1 43607280 343256595 /nfs/dbraw/zinc/25/65/95/343256595.db2.gz LUVNNFWOSQTEGK-UHFFFAOYSA-N 0 0 177.203 2.181 10 0 AEAERN Cc1cccnc1C(=O)c1cccnc1 43616318 343256946 /nfs/dbraw/zinc/25/69/46/343256946.db2.gz PVKYLRHXHQKJIA-UHFFFAOYSA-N 0 0 198.225 2.016 10 0 AEAERN Cc1cccnc1[C@@H](O)C(C)C 43616343 343256978 /nfs/dbraw/zinc/25/69/78/343256978.db2.gz VXINFGTXKGWYFI-JTQLQIEISA-N 0 0 165.236 2.079 10 0 AEAERN Cc1cccnc1[C@H](O)C(C)C 43616342 343257017 /nfs/dbraw/zinc/25/70/17/343257017.db2.gz VXINFGTXKGWYFI-SNVBAGLBSA-N 0 0 165.236 2.079 10 0 AEAERN Cc1cc([C@@H](N)C(F)(F)F)c(C)o1 43611435 343257043 /nfs/dbraw/zinc/25/70/43/343257043.db2.gz MHMJEQRMLVBDSW-SSDOTTSWSA-N 0 0 193.168 2.459 10 0 AEAERN Cc1ccc(CC[C@H](C)O)cc1 43656751 343258452 /nfs/dbraw/zinc/25/84/52/343258452.db2.gz NKPPLBLOQSQAKT-JTQLQIEISA-N 0 0 164.248 2.308 10 0 AEAERN CC(C)[C@@H](C)n1ncc(Cl)c1N 43665400 343258751 /nfs/dbraw/zinc/25/87/51/343258751.db2.gz MUVLEDLPFBGJMF-ZCFIWIBFSA-N 0 0 187.674 2.336 10 0 AEAERN Cc1ccccc1-c1cc[nH]c(=O)c1 44120366 343260957 /nfs/dbraw/zinc/26/09/57/343260957.db2.gz JMRXAPIVLUMSSU-UHFFFAOYSA-N 0 0 185.226 2.350 10 0 AEAERN Cc1nc(-c2ccc(O)cn2)cs1 44121403 343261018 /nfs/dbraw/zinc/26/10/18/343261018.db2.gz JDWCKPNIWFDZDE-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN O[C@H]1CCCCCC[C@@H]1n1cccn1 44182990 343261872 /nfs/dbraw/zinc/26/18/72/343261872.db2.gz CYPMCQMWQYECEE-QWRGUYRKSA-N 0 0 194.278 2.139 10 0 AEAERN Cc1nccn1[C@@H]1CCCCC[C@H]1O 44181078 343261873 /nfs/dbraw/zinc/26/18/73/343261873.db2.gz JIZKDLIIPSLIMW-GHMZBOCLSA-N 0 0 194.278 2.058 10 0 AEAERN O[C@H]1CCCCCC[C@H]1n1cccn1 44182987 343261876 /nfs/dbraw/zinc/26/18/76/343261876.db2.gz CYPMCQMWQYECEE-MNOVXSKESA-N 0 0 194.278 2.139 10 0 AEAERN [NH3+][C@H](CC1CCCCCCC1)C(=O)[O-] 44283553 343263219 /nfs/dbraw/zinc/26/32/19/343263219.db2.gz PSYRORCNCYQOIA-SNVBAGLBSA-N 0 0 199.294 2.149 10 0 AEAERN Cc1cccc(CC[C@@H](C)O)c1 44363898 343264009 /nfs/dbraw/zinc/26/40/09/343264009.db2.gz CSPHVLFORWOQIS-SNVBAGLBSA-N 0 0 164.248 2.308 10 0 AEAERN Cc1ccc(-c2ccc(=O)[nH]c2)cc1 44062988 343260035 /nfs/dbraw/zinc/26/00/35/343260035.db2.gz YGIRFQGKPCSCRV-UHFFFAOYSA-N 0 0 185.226 2.350 10 0 AEAERN C[P@H](=O)OC1CCCCC1 44460287 343265401 /nfs/dbraw/zinc/26/54/01/343265401.db2.gz QLGWRTKHRWFMPJ-UHFFFAOYSA-N 0 0 162.169 2.440 10 0 AEAERN CC[C@@H]1C[C@@H](C)CC[C@@H]1O 44470114 343265762 /nfs/dbraw/zinc/26/57/62/343265762.db2.gz WBWLKDZTLYLPIJ-YIZRAAEISA-N 0 0 142.242 2.194 10 0 AEAERN CC[C@@H]1C[C@H](C)CC[C@@H]1O 44470108 343265785 /nfs/dbraw/zinc/26/57/85/343265785.db2.gz WBWLKDZTLYLPIJ-HLTSFMKQSA-N 0 0 142.242 2.194 10 0 AEAERN Cc1cc(C)c(OC[C@@H](C)O)c(C)c1 44473783 343266190 /nfs/dbraw/zinc/26/61/90/343266190.db2.gz KFYDWOVGOBJFHX-LLVKDONJSA-N 0 0 194.274 2.371 10 0 AEAERN COc1cnc2c(Cl)c[nH]c2c1 44712951 343268378 /nfs/dbraw/zinc/26/83/78/343268378.db2.gz QCQOEPCNIMSWGM-UHFFFAOYSA-N 0 0 182.610 2.225 10 0 AEAERN Cc1cc2ncc(F)cc2[nH]1 44712923 343268379 /nfs/dbraw/zinc/26/83/79/343268379.db2.gz FYRDRNXCLBZAKT-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN CC1(C)C[C@H]1Nc1cccc(F)n1 44381844 343264705 /nfs/dbraw/zinc/26/47/05/343264705.db2.gz ZAEHRJVUGCDUOM-SSDOTTSWSA-N 0 0 180.226 2.431 10 0 AEAERN Cc1ccc2cc(CCO)ccc2n1 44379900 343264744 /nfs/dbraw/zinc/26/47/44/343264744.db2.gz ZDRUJPDZDLXOIZ-UHFFFAOYSA-N 0 0 187.242 2.078 10 0 AEAERN Cc1nc2ccc(C)c(N)c2s1 45235824 343271600 /nfs/dbraw/zinc/27/16/00/343271600.db2.gz XHQFRHHATBAFHE-UHFFFAOYSA-N 0 0 178.260 2.495 10 0 AEAERN Cc1ccc2c(c1)sc(C)[n+]2[O-] 45237917 343272117 /nfs/dbraw/zinc/27/21/17/343272117.db2.gz MYCCAGYUACJSGX-UHFFFAOYSA-N 0 0 179.244 2.152 10 0 AEAERN Cc1nc2c(nc1C(C)C)CCC2 45814405 343272343 /nfs/dbraw/zinc/27/23/43/343272343.db2.gz DCAGZJZZXFJWAX-UHFFFAOYSA-N 0 0 176.263 2.397 10 0 AEAERN Cc1cc(O)cc(C2OCCCO2)c1 45817329 343272410 /nfs/dbraw/zinc/27/24/10/343272410.db2.gz DUTJYTJARQZQAN-UHFFFAOYSA-N 0 0 194.230 2.136 10 0 AEAERN Cc1cnc(C)c(-c2ccc[nH]2)n1 45814322 343272450 /nfs/dbraw/zinc/27/24/50/343272450.db2.gz SSYZPKINZCEQMB-UHFFFAOYSA-N 0 0 173.219 2.089 10 0 AEAERN Cc1cnc2cc[nH]c2c1C 44713224 343268588 /nfs/dbraw/zinc/26/85/88/343268588.db2.gz PFWIZWRQFHZMIZ-UHFFFAOYSA-N 0 0 146.193 2.180 10 0 AEAERN CCc1cc(N[C@@H]2CC2(C)C)ncn1 45135607 343271320 /nfs/dbraw/zinc/27/13/20/343271320.db2.gz FCTCOXRHAFDOSI-SECBINFHSA-N 0 0 191.278 2.249 10 0 AEAERN CC1(C)[C@H]2CC[C@]1(C)c1[nH][nH]c(=O)c12 49474062 343275804 /nfs/dbraw/zinc/27/58/04/343275804.db2.gz KOVDNLIBNIMCTE-UPONEAKYSA-N 0 0 192.262 2.290 10 0 AEAERN Cc1ccc2[nH]c(C(C)(C)O)nc2c1 50039616 343277632 /nfs/dbraw/zinc/27/76/32/343277632.db2.gz BZXYTSTYGGSVQW-UHFFFAOYSA-N 0 0 190.246 2.099 10 0 AEAERN CCc1ccc(-c2coc(N)n2)cc1 50266254 343280674 /nfs/dbraw/zinc/28/06/74/343280674.db2.gz BFCNLHKRWAKUON-UHFFFAOYSA-N 0 0 188.230 2.486 10 0 AEAERN Cc1cc(-c2coc(N)n2)c(C)o1 50266323 343280721 /nfs/dbraw/zinc/28/07/21/343280721.db2.gz TYNDUPTWFRGDIT-UHFFFAOYSA-N 0 0 178.191 2.134 10 0 AEAERN CCCCc1ncsc1N 50308039 343281117 /nfs/dbraw/zinc/28/11/17/343281117.db2.gz CGSDMFZGMPPOLC-UHFFFAOYSA-N 0 0 156.254 2.068 10 0 AEAERN Cc1nc(C(C)(C)C)c(N)s1 50308163 343281153 /nfs/dbraw/zinc/28/11/53/343281153.db2.gz ZDNNWKIIQSRLJF-UHFFFAOYSA-N 0 0 170.281 2.331 10 0 AEAERN Cc1nc(-c2cccnc2)c(N)s1 50308074 343281154 /nfs/dbraw/zinc/28/11/54/343281154.db2.gz GRDDTGFDVSZPFA-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN CCc1nc(C(C)C)sc1N 50308959 343281488 /nfs/dbraw/zinc/28/14/88/343281488.db2.gz JWNGGBYWSGLFRJ-UHFFFAOYSA-N 0 0 170.281 2.411 10 0 AEAERN Cc1nc2c(s1)[C@@H](O)CC(C)(C)C2 50335568 343281795 /nfs/dbraw/zinc/28/17/95/343281795.db2.gz WFSHFFUIAUFJJD-QMMMGPOBSA-N 0 0 197.303 2.457 10 0 AEAERN Cc1nc2c(s1)[C@H](O)CC(C)(C)C2 50335566 343281854 /nfs/dbraw/zinc/28/18/54/343281854.db2.gz WFSHFFUIAUFJJD-MRVPVSSYSA-N 0 0 197.303 2.457 10 0 AEAERN Cc1ccc(OC2CCCC2)c(N)n1 50440863 343283202 /nfs/dbraw/zinc/28/32/02/343283202.db2.gz VAHOZRPDTPJADY-UHFFFAOYSA-N 0 0 192.262 2.294 10 0 AEAERN Cc1cc(CO)ccc1N1CCCC1 50560486 343284461 /nfs/dbraw/zinc/28/44/61/343284461.db2.gz LYTFKOJICITKNU-UHFFFAOYSA-N 0 0 191.274 2.088 10 0 AEAERN O=C(c1cccs1)[C@@H]1CCCCO1 50960128 343287178 /nfs/dbraw/zinc/28/71/78/343287178.db2.gz VYXDRBTVIDMCAS-QMMMGPOBSA-N 0 0 196.271 2.500 10 0 AEAERN Cc1nc2ccccc2c(NN)c1C 51169374 343289225 /nfs/dbraw/zinc/28/92/25/343289225.db2.gz RSQNTOVZEMJFNV-UHFFFAOYSA-N 0 0 187.246 2.137 10 0 AEAERN CCc1cc(NN)c2ccccc2n1 51169371 343289227 /nfs/dbraw/zinc/28/92/27/343289227.db2.gz LVUXJLWXZWYCQM-UHFFFAOYSA-N 0 0 187.246 2.083 10 0 AEAERN CC[C@H](C)c1nc(C)cc(NC)n1 51690713 343291650 /nfs/dbraw/zinc/29/16/50/343291650.db2.gz DYYLKEGYJLFMJN-ZETCQYMHSA-N 0 0 179.267 2.340 10 0 AEAERN CC[C@@H](C)Oc1cccc(NN)c1 51780233 343293216 /nfs/dbraw/zinc/29/32/16/343293216.db2.gz ILSILTDCDTXTAT-MRVPVSSYSA-N 0 0 180.251 2.150 10 0 AEAERN CC[C@H](C)Oc1ccnc(Cl)n1 51848965 343294566 /nfs/dbraw/zinc/29/45/66/343294566.db2.gz PJJCYARWHGGBJK-LURJTMIESA-N 0 0 186.642 2.307 10 0 AEAERN CC[C@H](C)Nc1ccnc(Cl)n1 51849331 343294629 /nfs/dbraw/zinc/29/46/29/343294629.db2.gz ZODWETKUAAUFBS-LURJTMIESA-N 0 0 185.658 2.340 10 0 AEAERN CC[C@H](C)N(C)c1ccnc(Cl)n1 51849457 343294635 /nfs/dbraw/zinc/29/46/35/343294635.db2.gz PRVCYDKPRSTZSZ-ZETCQYMHSA-N 0 0 199.685 2.365 10 0 AEAERN C[C@H]1C[C@@H]1Nc1cccc(N)c1 52273625 343303373 /nfs/dbraw/zinc/30/33/73/343303373.db2.gz HJHRKFXFFKCYCX-XVKPBYJWSA-N 0 0 162.236 2.089 10 0 AEAERN Cc1cc(C=O)c(C)n1[C@H]1C[C@@H]1C 52288704 343304236 /nfs/dbraw/zinc/30/42/36/343304236.db2.gz RHGLLISXEWCXQY-CPCISQLKSA-N 0 0 177.247 2.498 10 0 AEAERN Cc1cccnc1N[C@@H]1C[C@H]1C 52290315 343304574 /nfs/dbraw/zinc/30/45/74/343304574.db2.gz YRSZWTRIPHTTON-RKDXNWHRSA-N 0 0 162.236 2.210 10 0 AEAERN C[C@H]1C[C@H]1Nc1ccc(F)cn1 52290654 343304641 /nfs/dbraw/zinc/30/46/41/343304641.db2.gz USXOGYGDROVISL-POYBYMJQSA-N 0 0 166.199 2.041 10 0 AEAERN Cc1cccc(N[C@@H]2C[C@H]2C)n1 52290120 343304652 /nfs/dbraw/zinc/30/46/52/343304652.db2.gz BQVUBMZRQZBSGJ-VXNVDRBHSA-N 0 0 162.236 2.210 10 0 AEAERN Cc1cccc(N[C@H]2C[C@H]2C)n1 52290122 343304692 /nfs/dbraw/zinc/30/46/92/343304692.db2.gz BQVUBMZRQZBSGJ-APPZFPTMSA-N 0 0 162.236 2.210 10 0 AEAERN CC(C)c1cc(N[C@H]2C[C@H]2C)ncn1 52290612 343304699 /nfs/dbraw/zinc/30/46/99/343304699.db2.gz SFIKCQXBZYGOCP-SCZZXKLOSA-N 0 0 191.278 2.420 10 0 AEAERN CCc1n[nH]c(=S)n1[C@@H]1C[C@H]1C 52292874 343304847 /nfs/dbraw/zinc/30/48/47/343304847.db2.gz FUGCAUNICAORAB-PHDIDXHHSA-N 0 0 183.280 2.084 10 0 AEAERN Cc1ccc(N[C@@H]2C[C@H]2C)nc1 52291874 343304900 /nfs/dbraw/zinc/30/49/00/343304900.db2.gz MNOHRFDMKUGHFA-RKDXNWHRSA-N 0 0 162.236 2.210 10 0 AEAERN CCc1n[nH]c(=S)n1[C@H]1C[C@H]1C 52292879 343305031 /nfs/dbraw/zinc/30/50/31/343305031.db2.gz FUGCAUNICAORAB-RITPCOANSA-N 0 0 183.280 2.084 10 0 AEAERN C[C@H]1C[C@H]1n1c(C2CC2)n[nH]c1=S 52292843 343305065 /nfs/dbraw/zinc/30/50/65/343305065.db2.gz ZSLWBQNHLNBSDM-CAHLUQPWSA-N 0 0 195.291 2.399 10 0 AEAERN CCCC1N=NC(=S)N1[C@@H]1C[C@@H]1C 52292792 343305070 /nfs/dbraw/zinc/30/50/70/343305070.db2.gz OZXBTEVYERWJOS-NKWVEPMBSA-N 0 0 197.307 2.100 10 0 AEAERN C[C@H]1C[C@@H]1Nc1nsnc1Cl 52297887 343305144 /nfs/dbraw/zinc/30/51/44/343305144.db2.gz KBRZKDIATRXXHO-IMJSIDKUSA-N 0 0 189.671 2.012 10 0 AEAERN C[C@H]1C[C@H]1Nc1nsnc1Cl 52297893 343305209 /nfs/dbraw/zinc/30/52/09/343305209.db2.gz KBRZKDIATRXXHO-IUYQGCFVSA-N 0 0 189.671 2.012 10 0 AEAERN CCCCn1[nH]c(C)cc1=S 52305539 343305559 /nfs/dbraw/zinc/30/55/59/343305559.db2.gz MSPJKUZOLYPVDB-UHFFFAOYSA-N 0 0 170.281 2.280 10 0 AEAERN Cn1[nH]c(-c2ccccc2)cc1=S 52304938 343305589 /nfs/dbraw/zinc/30/55/89/343305589.db2.gz HISPSAQAEGOYQV-UHFFFAOYSA-N 0 0 190.271 2.376 10 0 AEAERN Cc1cc(=S)n(C(C)C)[nH]1 52305582 343305658 /nfs/dbraw/zinc/30/56/58/343305658.db2.gz XIIKAKADWCUSGI-UHFFFAOYSA-N 0 0 156.254 2.061 10 0 AEAERN C[C@H]1C[C@H]1Nc1cc(N)cc(F)c1 52274407 343303699 /nfs/dbraw/zinc/30/36/99/343303699.db2.gz YIEWXAYRTHYRNO-QUBYGPBYSA-N 0 0 180.226 2.228 10 0 AEAERN Cc1ccc(N[C@H]2C[C@H]2C)c(N)c1 52273862 343303701 /nfs/dbraw/zinc/30/37/01/343303701.db2.gz YGCMARPCWXRYFI-KCJUWKMLSA-N 0 0 176.263 2.398 10 0 AEAERN Cc1cc(N)ccc1N[C@@H]1C[C@H]1C 52273816 343303702 /nfs/dbraw/zinc/30/37/02/343303702.db2.gz MZHBJQRCJIIMSU-LDYMZIIASA-N 0 0 176.263 2.398 10 0 AEAERN C[C@H]1C[C@H]1Nc1ccc(F)cc1N 52273697 343303713 /nfs/dbraw/zinc/30/37/13/343303713.db2.gz IFODZQYORKPKLV-QUBYGPBYSA-N 0 0 180.226 2.228 10 0 AEAERN C[C@H]1C[C@@H]1Nc1ccc(N)cc1F 52273784 343303715 /nfs/dbraw/zinc/30/37/15/343303715.db2.gz RXVPSKCWTABGNG-WKEGUHRASA-N 0 0 180.226 2.228 10 0 AEAERN Cc1cc(N)ccc1N[C@@H]1C[C@@H]1C 52273812 343303716 /nfs/dbraw/zinc/30/37/16/343303716.db2.gz MZHBJQRCJIIMSU-GZMMTYOYSA-N 0 0 176.263 2.398 10 0 AEAERN C[C@H]1C[C@@H]1Nc1cc(F)ccc1N 52274451 343303735 /nfs/dbraw/zinc/30/37/35/343303735.db2.gz YSTUCEWARKWGSQ-RCOVLWMOSA-N 0 0 180.226 2.228 10 0 AEAERN C[C@H]1C[C@H]1Nc1cc(F)ccc1N 52274454 343303736 /nfs/dbraw/zinc/30/37/36/343303736.db2.gz YSTUCEWARKWGSQ-IMTBSYHQSA-N 0 0 180.226 2.228 10 0 AEAERN C[C@H]1C[C@H]1Nc1cccc(F)c1N 52274370 343303753 /nfs/dbraw/zinc/30/37/53/343303753.db2.gz DGRLYTWDTLQERS-IMTBSYHQSA-N 0 0 180.226 2.228 10 0 AEAERN Cc1cc(N)ccc1N[C@H]1C[C@H]1C 52273818 343303758 /nfs/dbraw/zinc/30/37/58/343303758.db2.gz MZHBJQRCJIIMSU-KCJUWKMLSA-N 0 0 176.263 2.398 10 0 AEAERN Cc1cc(N[C@@H]2C[C@H]2C)ccc1N 52274023 343303764 /nfs/dbraw/zinc/30/37/64/343303764.db2.gz IEFMEYQBLBTZBK-LDYMZIIASA-N 0 0 176.263 2.398 10 0 AEAERN C[C@H]1C[C@@H]1Nc1cc(N)cc(F)c1 52274404 343303766 /nfs/dbraw/zinc/30/37/66/343303766.db2.gz YIEWXAYRTHYRNO-WKEGUHRASA-N 0 0 180.226 2.228 10 0 AEAERN Cc1cc(C=O)c(C)n1[C@H]1C[C@H]1C 52288711 343304145 /nfs/dbraw/zinc/30/41/45/343304145.db2.gz RHGLLISXEWCXQY-HQJQHLMTSA-N 0 0 177.247 2.498 10 0 AEAERN Cc1cc(C=O)c(C)n1[C@@H]1C[C@@H]1C 52288701 343304156 /nfs/dbraw/zinc/30/41/56/343304156.db2.gz RHGLLISXEWCXQY-WRWORJQWSA-N 0 0 177.247 2.498 10 0 AEAERN CCOCc1cccnc1Cl 52721950 343306640 /nfs/dbraw/zinc/30/66/40/343306640.db2.gz RGMQKQLSFHGJNX-UHFFFAOYSA-N 0 0 171.627 2.272 10 0 AEAERN CCOCc1ccnc(Cl)c1 52721961 343306661 /nfs/dbraw/zinc/30/66/61/343306661.db2.gz FLBRLWFGPPSEHE-UHFFFAOYSA-N 0 0 171.627 2.272 10 0 AEAERN CCN(C)Cc1cccnc1Cl 52709181 343306697 /nfs/dbraw/zinc/30/66/97/343306697.db2.gz DTUUTUJWMXNQPM-UHFFFAOYSA-N 0 0 184.670 2.187 10 0 AEAERN CCCOc1cc(C)nc(Cl)n1 52813910 343307441 /nfs/dbraw/zinc/30/74/41/343307441.db2.gz SADVQYSHKGDZKZ-UHFFFAOYSA-N 0 0 186.642 2.227 10 0 AEAERN CCCCCNc1cccnn1 52815874 343307525 /nfs/dbraw/zinc/30/75/25/343307525.db2.gz FRGFWLGMDABJFR-UHFFFAOYSA-N 0 0 165.240 2.079 10 0 AEAERN CC(C)CCCNc1cccnn1 52830981 343307872 /nfs/dbraw/zinc/30/78/72/343307872.db2.gz QWFYTNZOZQWCES-UHFFFAOYSA-N 0 0 179.267 2.325 10 0 AEAERN CCc1ccc([C@@H](C)NC#N)cc1 52832529 343308163 /nfs/dbraw/zinc/30/81/63/343308163.db2.gz BTMIFURNKOLWCH-SECBINFHSA-N 0 0 174.247 2.381 10 0 AEAERN N#CNc1cc(Cl)ccc1F 52832349 343308166 /nfs/dbraw/zinc/30/81/66/343308166.db2.gz BUWHIWGISNSDPM-UHFFFAOYSA-N 0 0 170.574 2.372 10 0 AEAERN CCC1CCC(CNC#N)CC1 52832515 343308171 /nfs/dbraw/zinc/30/81/71/343308171.db2.gz QVGXNQVPKWOLHP-UHFFFAOYSA-N 0 0 166.268 2.273 10 0 AEAERN N#CN[C@@H]1CCCc2ccccc21 52832444 343308175 /nfs/dbraw/zinc/30/81/75/343308175.db2.gz WXGSPZCPWWVXIP-LLVKDONJSA-N 0 0 172.231 2.135 10 0 AEAERN Cc1cc([C@@H](C)NC#N)c(C)s1 52832760 343308385 /nfs/dbraw/zinc/30/83/85/343308385.db2.gz IPOXSWHKUKIWPO-SSDOTTSWSA-N 0 0 180.276 2.497 10 0 AEAERN CCCC1CCC(NC#N)CC1 52832800 343308499 /nfs/dbraw/zinc/30/84/99/343308499.db2.gz OGSRBTHCUKWJTR-UHFFFAOYSA-N 0 0 166.268 2.416 10 0 AEAERN C[C@H](NC#N)c1ccc(Cl)cc1 52832772 343308530 /nfs/dbraw/zinc/30/85/30/343308530.db2.gz QVULANUXSDYJIC-ZETCQYMHSA-N 0 0 180.638 2.472 10 0 AEAERN C[C@@H](NC#N)c1ccccc1Cl 52832770 343308539 /nfs/dbraw/zinc/30/85/39/343308539.db2.gz QQVVAGSQBPMQAY-SSDOTTSWSA-N 0 0 180.638 2.472 10 0 AEAERN Cc1ccc([C@H](C)NC#N)cc1 52832815 343308541 /nfs/dbraw/zinc/30/85/41/343308541.db2.gz PTHQFOHXZBZGSF-VIFPVBQESA-N 0 0 160.220 2.127 10 0 AEAERN CC[C@H]1CCCC[C@@H]1NC#N 52832684 343308542 /nfs/dbraw/zinc/30/85/42/343308542.db2.gz RMWHHOFHCMACNN-IUCAKERBSA-N 0 0 152.241 2.026 10 0 AEAERN CC[C@H](NC#N)c1cccs1 52832793 343308547 /nfs/dbraw/zinc/30/85/47/343308547.db2.gz LEOMHXDMDZZGPX-ZETCQYMHSA-N 0 0 166.249 2.270 10 0 AEAERN CC[C@H]1CCCC[C@H]1NC#N 52832688 343308548 /nfs/dbraw/zinc/30/85/48/343308548.db2.gz RMWHHOFHCMACNN-DTWKUNHWSA-N 0 0 152.241 2.026 10 0 AEAERN CC(C)Nc1c(N)ccc(F)c1F 53163352 343312891 /nfs/dbraw/zinc/31/28/91/343312891.db2.gz RZQRFZXCLHGLLB-UHFFFAOYSA-N 0 0 186.205 2.367 10 0 AEAERN C[C@H]1C[C@@H]1Nc1c(N)ccc(F)c1F 53167786 343312910 /nfs/dbraw/zinc/31/29/10/343312910.db2.gz OAIKTKVETXEKEU-XNCJUZBTSA-N 0 0 198.216 2.367 10 0 AEAERN CC(C)(C)[C@H](O)Cc1cccnc1 53130494 343312973 /nfs/dbraw/zinc/31/29/73/343312973.db2.gz SWXFPIFKSDDKPS-SNVBAGLBSA-N 0 0 179.263 2.031 10 0 AEAERN COC(=N)Cc1cc(C)cc(C)c1 53749744 343315820 /nfs/dbraw/zinc/31/58/20/343315820.db2.gz REDMBYOBVQTBKY-UHFFFAOYSA-N 0 0 177.247 2.470 10 0 AEAERN CC(C)CCc1noc(Cl)n1 53750023 343315881 /nfs/dbraw/zinc/31/58/81/343315881.db2.gz LQTSBVNGLMCOJO-UHFFFAOYSA-N 0 0 174.631 2.312 10 0 AEAERN O[C@H](Cc1cccnc1)C1CCCC1 53130301 343312839 /nfs/dbraw/zinc/31/28/39/343312839.db2.gz JJSAKRAVPYGDDY-GFCCVEGCSA-N 0 0 191.274 2.175 10 0 AEAERN C[C@H](O)c1cnc(C2CC2)s1 54160722 343318941 /nfs/dbraw/zinc/31/89/41/343318941.db2.gz BALRIMIFBQQXDG-YFKPBYRVSA-N 0 0 169.249 2.074 10 0 AEAERN C[C@@H](O)c1cnc(C(C)(C)C)s1 54160743 343318949 /nfs/dbraw/zinc/31/89/49/343318949.db2.gz BVMMDSDJJYLTCP-ZCFIWIBFSA-N 0 0 185.292 2.494 10 0 AEAERN O[C@H]1CCCCC[C@H]1c1cccnc1 53751530 343316027 /nfs/dbraw/zinc/31/60/27/343316027.db2.gz OWFUKVWBJGJFFC-RYUDHWBXSA-N 0 0 191.274 2.490 10 0 AEAERN CCc1ccc(C[C@H](C)O)s1 53784398 343316601 /nfs/dbraw/zinc/31/66/01/343316601.db2.gz UBSFHOCLKFFPHL-ZETCQYMHSA-N 0 0 170.277 2.234 10 0 AEAERN O[C@@H](Cc1cccs1)C1CC1 53784685 343316634 /nfs/dbraw/zinc/31/66/34/343316634.db2.gz HQABQPRBNNIICF-VIFPVBQESA-N 0 0 168.261 2.062 10 0 AEAERN Cc1cc(C2CCCC2)nc(N)n1 54079904 343317662 /nfs/dbraw/zinc/31/76/62/343317662.db2.gz KAFARIQOEBYQGA-UHFFFAOYSA-N 0 0 177.251 2.025 10 0 AEAERN CC(C)c1ncc([C@@H](C)O)s1 54160730 343318914 /nfs/dbraw/zinc/31/89/14/343318914.db2.gz QPYDBCWZKRNPQG-ZCFIWIBFSA-N 0 0 171.265 2.320 10 0 AEAERN CCCc1ncc(C(C)=O)s1 54159125 343318926 /nfs/dbraw/zinc/31/89/26/343318926.db2.gz LKQBZEAHJPVORS-UHFFFAOYSA-N 0 0 169.249 2.298 10 0 AEAERN C[C@H](O)c1cnc(C(C)(C)C)s1 54160742 343318927 /nfs/dbraw/zinc/31/89/27/343318927.db2.gz BVMMDSDJJYLTCP-LURJTMIESA-N 0 0 185.292 2.494 10 0 AEAERN Cc1nc(N)n(C2CCCCCC2)n1 54404585 343323497 /nfs/dbraw/zinc/32/34/97/343323497.db2.gz IIDOMAKGWZOKMZ-UHFFFAOYSA-N 0 0 194.282 2.064 10 0 AEAERN C[C@H](O)c1cnc(-c2ccco2)s1 54456613 343324114 /nfs/dbraw/zinc/32/41/14/343324114.db2.gz XGUMAAGGHBVKGJ-LURJTMIESA-N 0 0 195.243 2.456 10 0 AEAERN O[C@@H](CC1CCOCC1)c1ccco1 54446154 343324192 /nfs/dbraw/zinc/32/41/92/343324192.db2.gz AURJPOZQOQEZFK-JTQLQIEISA-N 0 0 196.246 2.130 10 0 AEAERN O=C(C[C@H]1CCCO1)c1ccco1 54445555 343324400 /nfs/dbraw/zinc/32/44/00/343324400.db2.gz OSGGKGUTFYKXJA-MRVPVSSYSA-N 0 0 180.203 2.031 10 0 AEAERN CSCc1ncc([C@@H](C)O)s1 54497105 343325181 /nfs/dbraw/zinc/32/51/81/343325181.db2.gz FPWOCZADOIIDHF-RXMQYKEDSA-N 0 0 189.305 2.059 10 0 AEAERN C[C@@H](O)c1cnn(C2CCCCC2)c1 54724463 343328150 /nfs/dbraw/zinc/32/81/50/343328150.db2.gz QOQJIFFUMSJILB-SECBINFHSA-N 0 0 194.278 2.442 10 0 AEAERN O[C@@H]1CCCc2c(F)ccc(F)c21 54743045 343328738 /nfs/dbraw/zinc/32/87/38/343328738.db2.gz QHDRSZZWBSPTNM-SECBINFHSA-N 0 0 184.185 2.335 10 0 AEAERN O[C@H]1CCCc2c(F)ccc(F)c21 54743044 343328805 /nfs/dbraw/zinc/32/88/05/343328805.db2.gz QHDRSZZWBSPTNM-VIFPVBQESA-N 0 0 184.185 2.335 10 0 AEAERN OCc1cnc(C2CCCCC2)nc1 54857062 343330943 /nfs/dbraw/zinc/33/09/43/343330943.db2.gz ZHUOXLBJGTXRHK-UHFFFAOYSA-N 0 0 192.262 2.017 10 0 AEAERN Cc1nccc(N[C@H](C)C(C)C)n1 54935773 343332002 /nfs/dbraw/zinc/33/20/02/343332002.db2.gz UTGKFINXWYCVEM-MRVPVSSYSA-N 0 0 179.267 2.241 10 0 AEAERN COC[C@](C)(O)c1ccc(C)cc1C 55235462 343335199 /nfs/dbraw/zinc/33/51/99/343335199.db2.gz WIWAWZRDKSLZDZ-LBPRGKRZSA-N 0 0 194.274 2.157 10 0 AEAERN Cc1nc(CC(=O)C(C)C)cs1 55294286 343335200 /nfs/dbraw/zinc/33/52/00/343335200.db2.gz CTSLBXPKKBFZKJ-UHFFFAOYSA-N 0 0 183.276 2.219 10 0 AEAERN CCCCOc1ccnc(NCC)n1 58825507 343341460 /nfs/dbraw/zinc/34/14/60/343341460.db2.gz NCUKMZUKPQLKHP-UHFFFAOYSA-N 0 0 195.266 2.087 10 0 AEAERN C[C@H](CCCO)Nc1cccc(F)c1 58826840 343341486 /nfs/dbraw/zinc/34/14/86/343341486.db2.gz FRMWLWMEXHPUDE-SECBINFHSA-N 0 0 197.253 2.399 10 0 AEAERN C[C@H](CCCO)Nc1ccccc1 58826823 343341498 /nfs/dbraw/zinc/34/14/98/343341498.db2.gz PHJZYVPIBMRAAU-SNVBAGLBSA-N 0 0 179.263 2.260 10 0 AEAERN Fc1ccc2nc[nH]c(=S)c2c1 59072822 343341825 /nfs/dbraw/zinc/34/18/25/343341825.db2.gz WMPSQXLZNFEYEP-UHFFFAOYSA-N 0 0 180.207 2.058 10 0 AEAERN Cc1ccc(C(C)(C)C)c(N)c1N 59164305 343342496 /nfs/dbraw/zinc/34/24/96/343342496.db2.gz ZYCRBOCGBKATBL-UHFFFAOYSA-N 0 0 178.279 2.457 10 0 AEAERN CCc1ccc(C)cc1 59448169 343345004 /nfs/dbraw/zinc/34/50/04/343345004.db2.gz TVBAMXHYYUTCGZ-UHFFFAOYSA-N 0 0 119.187 2.372 10 0 AEAERN Nc1cc(C=O)c2ccccc2c1 59483564 343345025 /nfs/dbraw/zinc/34/50/25/343345025.db2.gz CMHSDQBWRWUFAS-UHFFFAOYSA-N 0 0 171.199 2.235 10 0 AEAERN Cc1cc2ccoc2cc1N 59512688 343345378 /nfs/dbraw/zinc/34/53/78/343345378.db2.gz BPPDURNNVKHOMM-UHFFFAOYSA-N 0 0 147.177 2.323 10 0 AEAERN COC[C@H](C)Nc1cc(C)ccc1N 59539061 343345531 /nfs/dbraw/zinc/34/55/31/343345531.db2.gz QNQOIIYYMKLHNA-VIFPVBQESA-N 0 0 194.278 2.024 10 0 AEAERN CCc1ccc(C=O)cc1F 59574674 343345776 /nfs/dbraw/zinc/34/57/76/343345776.db2.gz VWIXGSHCRPUMFL-UHFFFAOYSA-N 0 0 152.168 2.201 10 0 AEAERN COCSc1cc(F)ccc1N 59588685 343346187 /nfs/dbraw/zinc/34/61/87/343346187.db2.gz SJADMUHZWOFVLD-UHFFFAOYSA-N 0 0 187.239 2.104 10 0 AEAERN CCOC(=O)c1ccc(O)cc1CC 59690600 343346985 /nfs/dbraw/zinc/34/69/85/343346985.db2.gz ZZLIIMRUQLBXNN-UHFFFAOYSA-N 0 0 194.230 2.131 10 0 in-vitro AEAERN OC1(C2(c3ccccc3)CC2)CC1 61624421 343358020 /nfs/dbraw/zinc/35/80/20/343358020.db2.gz RNRVONNEPLUVNG-UHFFFAOYSA-N 0 0 174.243 2.243 10 0 AEAERN Cc1cccc(-c2cncnc2N)c1 61675352 343359108 /nfs/dbraw/zinc/35/91/08/343359108.db2.gz JMMLZUHKLZCZOP-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CC(C)Nc1cnn(C(C)C)c1 61682683 343360166 /nfs/dbraw/zinc/36/01/66/343360166.db2.gz HCPRHKBWHGPAQY-UHFFFAOYSA-N 0 0 167.256 2.284 10 0 AEAERN Cc1nc(C2CC2)[nH]c(=O)c1C(C)C 61688244 343360847 /nfs/dbraw/zinc/36/08/47/343360847.db2.gz QIGWYZMMGUQBNP-UHFFFAOYSA-N 0 0 192.262 2.079 10 0 AEAERN O=C(c1ccccc1)c1cnsc1 60201932 343351470 /nfs/dbraw/zinc/35/14/70/343351470.db2.gz YYOARTRXMLAFCR-UHFFFAOYSA-N 0 0 189.239 2.374 10 0 AEAERN O=C(Oc1cncc(Cl)c1)C1CC1 60248038 343352151 /nfs/dbraw/zinc/35/21/51/343352151.db2.gz LZSWJPULKLPCBI-UHFFFAOYSA-N 0 0 197.621 2.050 10 0 AEAERN CC(C)[C@@H](C)NC(=O)c1ccoc1 60249686 343352574 /nfs/dbraw/zinc/35/25/74/343352574.db2.gz UQGWBUIOHIQLOZ-MRVPVSSYSA-N 0 0 181.235 2.054 10 0 AEAERN c1ccc(CNc2csnn2)cc1 60267598 343352809 /nfs/dbraw/zinc/35/28/09/343352809.db2.gz FUAFAQMKWNKFBD-UHFFFAOYSA-N 0 0 191.259 2.150 10 0 AEAERN O=C1CCC[C@H]1c1cncc(F)c1 60710902 343354227 /nfs/dbraw/zinc/35/42/27/343354227.db2.gz XHZIKNGLVOHMMA-VIFPVBQESA-N 0 0 179.194 2.057 10 0 AEAERN CCOC(=O)N1CCC[C@@H]1CC 62192462 343372427 /nfs/dbraw/zinc/37/24/27/343372427.db2.gz PTPYDPTYWFNPNY-QMMMGPOBSA-N 0 0 171.240 2.017 10 0 AEAERN Cc1ccc(C(=O)[C@H]2CCCOC2)o1 62229727 343372754 /nfs/dbraw/zinc/37/27/54/343372754.db2.gz AMYMUMSAWNTSSM-VIFPVBQESA-N 0 0 194.230 2.197 10 0 AEAERN Cc1sc(CO)nc1-c1ccco1 61802369 343363406 /nfs/dbraw/zinc/36/34/06/343363406.db2.gz MCCLQLGBFQTWEF-UHFFFAOYSA-N 0 0 195.243 2.204 10 0 AEAERN CC[C@H](C)c1csc(C=O)n1 61798744 343363411 /nfs/dbraw/zinc/36/34/11/343363411.db2.gz PYFPFYPIOASOGY-LURJTMIESA-N 0 0 169.249 2.469 10 0 AEAERN CC[C@H]1CNc2cccc(F)c2O1 62520177 343374263 /nfs/dbraw/zinc/37/42/63/343374263.db2.gz UUIAFVZLUZWEIW-ZETCQYMHSA-N 0 0 181.210 2.409 10 0 AEAERN CCc1ccc2c(c1)N[C@@H](C)CO2 62519682 343374333 /nfs/dbraw/zinc/37/43/33/343374333.db2.gz OHLVYACNEXGRNQ-QMMMGPOBSA-N 0 0 177.247 2.442 10 0 AEAERN c1coc(-c2cc(NC3CC3)n[nH]2)c1 62668863 343377445 /nfs/dbraw/zinc/37/74/45/343377445.db2.gz MCQODWLGDJWHSR-UHFFFAOYSA-N 0 0 189.218 2.244 10 0 AEAERN C[C@H]1CCC[C@@H](c2nc(CO)c[nH]2)C1 62820530 343382375 /nfs/dbraw/zinc/38/23/75/343382375.db2.gz REUWEZBBLIAMDV-DTWKUNHWSA-N 0 0 194.278 2.196 10 0 AEAERN OC1(c2cc(F)c(F)c(F)c2)CC1 63008714 343396816 /nfs/dbraw/zinc/39/68/16/343396816.db2.gz QMKOUKFLIPLPGF-UHFFFAOYSA-N 0 0 188.148 2.085 10 0 AEAERN Cc1n[nH]c(C)c1NCc1ccoc1 63046928 343397840 /nfs/dbraw/zinc/39/78/40/343397840.db2.gz RVNFBNZVMRIYKE-UHFFFAOYSA-N 0 0 191.234 2.232 10 0 AEAERN CC[C@@H](C)CNc1ncc(C)cn1 63048956 343398702 /nfs/dbraw/zinc/39/87/02/343398702.db2.gz AMTZZCBTYYUMNG-MRVPVSSYSA-N 0 0 179.267 2.243 10 0 AEAERN Cc1ccc([C@H]2NC[C@@H](C)O[C@H]2C)o1 68576047 343411625 /nfs/dbraw/zinc/41/16/25/343411625.db2.gz HXYAVPAYEXEPCU-YWVKMMECSA-N 0 0 195.262 2.026 10 0 AEAERN Cc1cccnc1[C@H](O)c1ccco1 68979505 343418744 /nfs/dbraw/zinc/41/87/44/343418744.db2.gz UKMLDIQWLFLWOM-LLVKDONJSA-N 0 0 189.214 2.065 10 0 AEAERN Cc1ccnc(C(=O)c2ccco2)c1 68979451 343418795 /nfs/dbraw/zinc/41/87/95/343418795.db2.gz XAKHUCMCOOPZPA-UHFFFAOYSA-N 0 0 187.198 2.214 10 0 AEAERN Cc1cccnc1[C@@H](N)c1ccco1 68979927 343418870 /nfs/dbraw/zinc/41/88/70/343418870.db2.gz YAQZRBHZJMKACF-JTQLQIEISA-N 0 0 188.230 2.031 10 0 AEAERN CCn1nccc1[C@H]1CCCCC1=O 69026750 343422587 /nfs/dbraw/zinc/42/25/87/343422587.db2.gz QHYNDCSBYVNQNA-SECBINFHSA-N 0 0 192.262 2.130 10 0 AEAERN CCn1ccnc1C(=O)C1CCCC1 69032236 343423633 /nfs/dbraw/zinc/42/36/33/343423633.db2.gz KLPODOAZZQMVCE-UHFFFAOYSA-N 0 0 192.262 2.276 10 0 AEAERN CCCn1ccnc1C1(O)CCCC1 69030909 343423642 /nfs/dbraw/zinc/42/36/42/343423642.db2.gz XLZSLQHVLVKHIT-UHFFFAOYSA-N 0 0 194.278 2.055 10 0 AEAERN COCCn1cc(C)c(C)c1C 68944363 343416143 /nfs/dbraw/zinc/41/61/43/343416143.db2.gz ZVVSRSGDJPFIOQ-UHFFFAOYSA-N 0 0 167.252 2.060 10 0 AEAERN CC[C@@](O)(C(C)C)C1CCOCC1 68956108 343417327 /nfs/dbraw/zinc/41/73/27/343417327.db2.gz WISNWHKZZXBWNW-LLVKDONJSA-N 0 0 186.295 2.210 10 0 AEAERN CCc1nc([C@@H](C)C(C)C)n[nH]1 69688006 343434573 /nfs/dbraw/zinc/43/45/73/343434573.db2.gz VGBKMHBMQOQUPO-ZETCQYMHSA-N 0 0 167.256 2.127 10 0 AEAERN CO[C@H]1CCC[C@H](n2ccnc2C)C1 69850232 343447983 /nfs/dbraw/zinc/44/79/83/343447983.db2.gz JZMWFFVJWIPKNC-QWRGUYRKSA-N 0 0 194.278 2.322 10 0 AEAERN CO[C@@H]1CCC[C@H](n2ccnc2C)C1 69850235 343448004 /nfs/dbraw/zinc/44/80/04/343448004.db2.gz JZMWFFVJWIPKNC-WDEREUQCSA-N 0 0 194.278 2.322 10 0 AEAERN CO[C@H]1CCC[C@@H](n2ccnc2C)C1 69850231 343448025 /nfs/dbraw/zinc/44/80/25/343448025.db2.gz JZMWFFVJWIPKNC-MNOVXSKESA-N 0 0 194.278 2.322 10 0 AEAERN CCc1ccc([C@@H]2C[C@H](O)CCO2)o1 69850664 343448303 /nfs/dbraw/zinc/44/83/03/343448303.db2.gz PZYLUHSCXQSKGT-KCJUWKMLSA-N 0 0 196.246 2.054 10 0 AEAERN C[C@@]1(C2CCCC2)C[C@@H](O)CCO1 69852599 343449138 /nfs/dbraw/zinc/44/91/38/343449138.db2.gz GHDMSFMCLIWABI-QWRGUYRKSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@]1(C2CCCC2)C[C@@H](O)CCO1 69852597 343449140 /nfs/dbraw/zinc/44/91/40/343449140.db2.gz GHDMSFMCLIWABI-WDEREUQCSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@]1(C2CCCCC2)C[C@@H](O)CCO1 69852681 343449149 /nfs/dbraw/zinc/44/91/49/343449149.db2.gz XQDLMRUVMXMSQA-NWDGAFQWSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@]1(C2CCCC2)C[C@H](O)CCO1 69852595 343449157 /nfs/dbraw/zinc/44/91/57/343449157.db2.gz GHDMSFMCLIWABI-GHMZBOCLSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@@H]1CCCC[C@@]12C[C@H](O)CCO2 69852672 343449167 /nfs/dbraw/zinc/44/91/67/343449167.db2.gz TYQYGVHJJIPDQC-GMTAPVOTSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@]1(C2CCCCC2)C[C@H](O)CCO1 69852678 343449178 /nfs/dbraw/zinc/44/91/78/343449178.db2.gz XQDLMRUVMXMSQA-VXGBXAGGSA-N 0 0 198.306 2.497 10 0 AEAERN CCC1CCC2(CC1)C[C@@H](O)CCO2 69852539 343449191 /nfs/dbraw/zinc/44/91/91/343449191.db2.gz OTFLTCNJMGHMQJ-CXQJBGSLSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@@]1(C2CCCCC2)C[C@@H](O)CCO1 69852683 343449198 /nfs/dbraw/zinc/44/91/98/343449198.db2.gz XQDLMRUVMXMSQA-RYUDHWBXSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@@]1(C2CCCC2)C[C@H](O)CCO1 69852596 343449211 /nfs/dbraw/zinc/44/92/11/343449211.db2.gz GHDMSFMCLIWABI-MNOVXSKESA-N 0 0 184.279 2.107 10 0 AEAERN CC[C@@]1(c2ccco2)C[C@H](O)CCO1 69853005 343449334 /nfs/dbraw/zinc/44/93/34/343449334.db2.gz RFGNTNJTANUCTI-KOLCDFICSA-N 0 0 196.246 2.056 10 0 AEAERN CC[C@@H]1C[C@@](O)(c2ccoc2)CCO1 69895984 343452881 /nfs/dbraw/zinc/45/28/81/343452881.db2.gz NZDCAWSCMVGGEX-GHMZBOCLSA-N 0 0 196.246 2.056 10 0 AEAERN CC[C@H]1C[C@](O)(c2ccoc2)CCO1 69895981 343452932 /nfs/dbraw/zinc/45/29/32/343452932.db2.gz NZDCAWSCMVGGEX-QWRGUYRKSA-N 0 0 196.246 2.056 10 0 AEAERN CCC[C@@]1(O)CCO[C@@](C)(CC)C1 69896895 343453456 /nfs/dbraw/zinc/45/34/56/343453456.db2.gz GOWNHYMIAXUHKK-WDEREUQCSA-N 0 0 186.295 2.497 10 0 AEAERN CCC[C@H]1C[C@](O)(C(C)C)CCO1 69896231 343453506 /nfs/dbraw/zinc/45/35/06/343453506.db2.gz ROPKOMSAQDDDSY-QWRGUYRKSA-N 0 0 186.295 2.353 10 0 AEAERN CSCc1nc2cc(N)ccc2o1 69983370 343463810 /nfs/dbraw/zinc/46/38/10/343463810.db2.gz FAXJYMXYZJSGRR-UHFFFAOYSA-N 0 0 194.259 2.273 10 0 AEAERN CC[C@@H](C)C(=O)[C@H]1CCSC1 69983479 343463811 /nfs/dbraw/zinc/46/38/11/343463811.db2.gz JHTMXVGCGNGVBS-SFYZADRCSA-N 0 0 172.293 2.355 10 0 AEAERN O=C(C1CCC1)[C@@H]1CCSC1 69983564 343463922 /nfs/dbraw/zinc/46/39/22/343463922.db2.gz LSIZEWPHZHJBBE-MRVPVSSYSA-N 0 0 170.277 2.109 10 0 AEAERN CCCC(=O)[C@H]1CCCS1 69985039 343464287 /nfs/dbraw/zinc/46/42/87/343464287.db2.gz QYDSLOSUXFIIKV-MRVPVSSYSA-N 0 0 158.266 2.251 10 0 AEAERN O=C(C1CCCC1)[C@H]1CCSC1 69983923 343464394 /nfs/dbraw/zinc/46/43/94/343464394.db2.gz XDWMQSXSYWYBEU-VIFPVBQESA-N 0 0 184.304 2.499 10 0 AEAERN C1CS[C@H](c2nnc(C3CC3)[nH]2)C1 69985482 343464726 /nfs/dbraw/zinc/46/47/26/343464726.db2.gz RULYZSZYWGOHQA-ZETCQYMHSA-N 0 0 195.291 2.250 10 0 AEAERN CCCc1nnc([C@H]2CCCS2)[nH]1 69985473 343464736 /nfs/dbraw/zinc/46/47/36/343464736.db2.gz FZOGUMUDHZQLSC-SSDOTTSWSA-N 0 0 197.307 2.325 10 0 AEAERN Cc1cc(C(=O)[C@@H]2C[C@H]2C)ccc1N 70041897 343468361 /nfs/dbraw/zinc/46/83/61/343468361.db2.gz BRZGLRGPCUOHFB-GMSGAONNSA-N 0 0 189.258 2.416 10 0 AEAERN O=c1ccc2cc(Cl)cc(F)c2[nH]1 70054937 343470645 /nfs/dbraw/zinc/47/06/45/343470645.db2.gz QEAQHSUIBYUYCS-UHFFFAOYSA-N 0 0 197.596 2.321 10 0 AEAERN Cc1cc(Cl)cc2ccc(=O)[nH]c12 70054919 343470656 /nfs/dbraw/zinc/47/06/56/343470656.db2.gz LQYUAFNJSXZHIB-UHFFFAOYSA-N 0 0 193.633 2.490 10 0 AEAERN Nc1ccc(S[C@H]2CCOC2)cc1 70072233 343473700 /nfs/dbraw/zinc/47/37/00/343473700.db2.gz MKJLBNDAPRQJJJ-JTQLQIEISA-N 0 0 195.287 2.150 10 0 AEAERN c1ccc2c(c1)OC[C@H]2n1cccc1 70069115 343473783 /nfs/dbraw/zinc/47/37/83/343473783.db2.gz UUSMSTRAZWBNQA-LLVKDONJSA-N 0 0 185.226 2.470 10 0 AEAERN O=c1ccc2cc(F)cc(Cl)c2[nH]1 70054930 343470682 /nfs/dbraw/zinc/47/06/82/343470682.db2.gz SBDDSMNIBMIXKT-UHFFFAOYSA-N 0 0 197.596 2.321 10 0 AEAERN Cc1ccc(Cl)c2ccc(=O)[nH]c12 70054901 343470695 /nfs/dbraw/zinc/47/06/95/343470695.db2.gz ODLUFKWKOCZBPG-UHFFFAOYSA-N 0 0 193.633 2.490 10 0 in-vitro AEAERN CCCc1ccc2[nH]c(=O)ccc2c1 70054884 343470702 /nfs/dbraw/zinc/47/07/02/343470702.db2.gz NPXCLOGIMPCSOD-UHFFFAOYSA-N 0 0 187.242 2.481 10 0 AEAERN Cc1ccc2ccc(N)nc2c1C 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175.231 2.227 10 0 AEAERN C[C@@H]1CCC[C@H]1Nc1cccnn1 70832846 343535365 /nfs/dbraw/zinc/53/53/65/343535365.db2.gz CFYMQCHJBVNENL-RKDXNWHRSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@H]1CCC[C@@H]1Nc1cccnn1 70832843 343535383 /nfs/dbraw/zinc/53/53/83/343535383.db2.gz CFYMQCHJBVNENL-IUCAKERBSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@H](O)c1csc(-c2ccoc2)n1 70843338 343537406 /nfs/dbraw/zinc/53/74/06/343537406.db2.gz WMBBHGKVMRDJRT-LURJTMIESA-N 0 0 195.243 2.456 10 0 AEAERN C[C@@H](O)c1csc(-c2ccco2)n1 70843102 343537464 /nfs/dbraw/zinc/53/74/64/343537464.db2.gz GNHLIXYJXNKRKO-ZCFIWIBFSA-N 0 0 195.243 2.456 10 0 AEAERN CNc1nc(C)cc(C(C)(C)C)n1 70950650 343543665 /nfs/dbraw/zinc/54/36/65/343543665.db2.gz KVJRZGPKFAXQFO-UHFFFAOYSA-N 0 0 179.267 2.124 10 0 AEAERN C[C@@H]1CCC[C@@H]1Nc1ccncn1 70832955 343535336 /nfs/dbraw/zinc/53/53/36/343535336.db2.gz LWXAPEGXRLNFBE-BDAKNGLRSA-N 0 0 177.251 2.077 10 0 AEAERN Cc1cc2nc(C)c(C)c(Cl)n2n1 71466603 343552801 /nfs/dbraw/zinc/55/28/01/343552801.db2.gz 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86359235 343651482 /nfs/dbraw/zinc/65/14/82/343651482.db2.gz HOOMDTVIISQPBY-JTQLQIEISA-N 0 0 186.295 2.233 10 0 AEAERN CC[C@@H](O)CCC1(O)CCCCC1 86359236 343651515 /nfs/dbraw/zinc/65/15/15/343651515.db2.gz HOOMDTVIISQPBY-SNVBAGLBSA-N 0 0 186.295 2.233 10 0 AEAERN CSCC[C@H]1CCCC1=O 86532808 343652487 /nfs/dbraw/zinc/65/24/87/343652487.db2.gz FKJUSEGNXXKEOZ-SSDOTTSWSA-N 0 0 158.266 2.109 10 0 AEAERN CCc1n[nH]c2cc(OC)ccc12 89195956 343672213 /nfs/dbraw/zinc/67/22/13/343672213.db2.gz UDBBXQGQPYFGEH-UHFFFAOYSA-N 0 0 176.219 2.134 10 0 AEAERN CCc1cc(C)cc2c[nH]nc12 89197170 343672331 /nfs/dbraw/zinc/67/23/31/343672331.db2.gz AGHJKHIAHPCVRE-UHFFFAOYSA-N 0 0 160.220 2.434 10 0 AEAERN CCc1cc2c[nH]nc2cc1F 89197071 343672332 /nfs/dbraw/zinc/67/23/32/343672332.db2.gz DEJHPXAWCIXSGD-UHFFFAOYSA-N 0 0 164.183 2.264 10 0 AEAERN Cc1ccc2n[nH]cc2c1C 89196433 343672338 /nfs/dbraw/zinc/67/23/38/343672338.db2.gz JCLJFOALEJVDAC-UHFFFAOYSA-N 0 0 146.193 2.180 10 0 AEAERN CC(C)c1ccc2[nH]nc(N)c2c1 89195901 343672367 /nfs/dbraw/zinc/67/23/67/343672367.db2.gz ONOMDYCVCWMQRN-UHFFFAOYSA-N 0 0 175.235 2.269 10 0 AEAERN CCc1c[nH]c2c(N)cccc12 89203927 343672887 /nfs/dbraw/zinc/67/28/87/343672887.db2.gz MJEXPOCZAFJFQI-UHFFFAOYSA-N 0 0 160.220 2.313 10 0 AEAERN CCc1cn2ccnc2cc1C 89202430 343672987 /nfs/dbraw/zinc/67/29/87/343672987.db2.gz MFMYPCLIHJRHMY-UHFFFAOYSA-N 0 0 160.220 2.205 10 0 AEAERN Cc1cc(N)n([C@@H]2C[C@H]3CC[C@@H]2C3)n1 90225768 343675194 /nfs/dbraw/zinc/67/51/94/343675194.db2.gz CDEHGOAUPAWEND-IVZWLZJFSA-N 0 0 191.278 2.135 10 0 AEAERN C1=Cc2ccccc2CC1 90755250 343676959 /nfs/dbraw/zinc/67/69/59/343676959.db2.gz GPQHCUBJNKLKIW-UHFFFAOYSA-N 0 0 129.182 2.460 10 0 AEAERN CC[C@@H](O)c1cccc(NC)c1 91365519 343677935 /nfs/dbraw/zinc/67/79/35/343677935.db2.gz QGXUUCMCEVNERH-SNVBAGLBSA-N 0 0 165.236 2.172 10 0 AEAERN CCCc1ccc([C@@H](N)C#N)cc1 95683877 343685448 /nfs/dbraw/zinc/68/54/48/343685448.db2.gz HUQFNWQSUNGPHD-NSHDSACASA-N 0 0 174.247 2.162 10 0 AEAERN OC/C=C/c1ccc2[nH]ccc2c1 95644799 343685475 /nfs/dbraw/zinc/68/54/75/343685475.db2.gz BRWAVLKVIRPKOF-OWOJBTEDSA-N 0 0 173.215 2.173 10 0 AEAERN C[C@@H]1CN2CCCc3cccc(c32)N1 95923971 343690681 /nfs/dbraw/zinc/69/06/81/343690681.db2.gz RSGAMAQQQKLOGD-SECBINFHSA-N 0 0 188.274 2.253 10 0 AEAERN CNC(=O)/C=C\c1ccc(C)cc1C 96315773 343695991 /nfs/dbraw/zinc/69/59/91/343695991.db2.gz ZZUGSSTVENKVPM-SREVYHEPSA-N 0 0 189.258 2.063 10 0 AEAERN Cc1cc2cc(Cl)c(N)nc2[nH]1 96321104 343696409 /nfs/dbraw/zinc/69/64/09/343696409.db2.gz CSFUEOGNGGPSNP-UHFFFAOYSA-N 0 0 181.626 2.107 10 0 AEAERN Cc1c[nH]c2c(C)ccnc12 96379331 343696932 /nfs/dbraw/zinc/69/69/32/343696932.db2.gz FZAUKIBNGCRWRA-UHFFFAOYSA-N 0 0 146.193 2.180 10 0 AEAERN Cc1c[nH]n2c1nc1ccccc12 95921937 343690214 /nfs/dbraw/zinc/69/02/14/343690214.db2.gz BUDGUSKFCHGILL-UHFFFAOYSA-N 0 0 171.203 2.124 10 0 AEAERN O=c1c(Cl)c[nH]c2ccsc12 98192002 343707262 /nfs/dbraw/zinc/70/72/62/343707262.db2.gz JIXKJLKQOUYJFD-UHFFFAOYSA-N 0 0 185.635 2.243 10 0 AEAERN CC(C)[C@H]1CC[C@@H](CO)CC1 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/nfs/dbraw/zinc/78/20/10/343782010.db2.gz UPKYWVXEMKSAKW-SNVBAGLBSA-N 0 0 198.310 2.273 10 0 AEAERN CC(=O)[C@H]1C[C@@H]1c1csc(C)n1 126554230 343793909 /nfs/dbraw/zinc/79/39/09/343793909.db2.gz RKFUMCIMBVRCFY-SFYZADRCSA-N 0 0 181.260 2.144 10 0 AEAERN CC(=O)[C@@H]1C[C@H]1c1csc(C)n1 126554482 343794032 /nfs/dbraw/zinc/79/40/32/343794032.db2.gz RKFUMCIMBVRCFY-JGVFFNPUSA-N 0 0 181.260 2.144 10 0 AEAERN Cc1cccc([C@@H](C)NN)c1Cl 127210348 343807350 /nfs/dbraw/zinc/80/73/50/343807350.db2.gz UBRNWBFOCAWOBO-SSDOTTSWSA-N 0 0 184.670 2.173 10 0 AEAERN Cc1cccc([C@H](C)NN)c1Cl 127210592 343807389 /nfs/dbraw/zinc/80/73/89/343807389.db2.gz UBRNWBFOCAWOBO-ZETCQYMHSA-N 0 0 184.670 2.173 10 0 AEAERN C[C@@H](NN)c1cc2sccc2s1 127230769 343807854 /nfs/dbraw/zinc/80/78/54/343807854.db2.gz JWJHXBAYKSSEPL-RXMQYKEDSA-N 0 0 198.316 2.487 10 0 AEAERN CCNC(=O)N(C)c1ccccc1C 127239231 343808340 /nfs/dbraw/zinc/80/83/40/343808340.db2.gz VCBDITFPNLDMCZ-UHFFFAOYSA-N 0 0 192.262 2.161 10 0 AEAERN O=C(C[C@H]1CCC[C@H]1O)C1CCCC1 127256434 343808354 /nfs/dbraw/zinc/80/83/54/343808354.db2.gz CDSPDVYJUXOGQU-GHMZBOCLSA-N 0 0 196.290 2.297 10 0 AEAERN CCN(C(=O)NC)c1ccc(C)cc1 127237726 343808356 /nfs/dbraw/zinc/80/83/56/343808356.db2.gz VDOSCRKBGYHBHM-UHFFFAOYSA-N 0 0 192.262 2.161 10 0 AEAERN Cc1ccc(Cl)cc1[C@H](C)NN 127237329 343808360 /nfs/dbraw/zinc/80/83/60/343808360.db2.gz CYIPVFCZQMPKDD-ZETCQYMHSA-N 0 0 184.670 2.173 10 0 AEAERN O=C(C[C@@H]1CCC[C@@H]1O)C1CCCC1 127255730 343808366 /nfs/dbraw/zinc/80/83/66/343808366.db2.gz CDSPDVYJUXOGQU-QWRGUYRKSA-N 0 0 196.290 2.297 10 0 AEAERN Cc1ccc(Cl)cc1[C@@H](C)NN 127237115 343808497 /nfs/dbraw/zinc/80/84/97/343808497.db2.gz CYIPVFCZQMPKDD-SSDOTTSWSA-N 0 0 184.670 2.173 10 0 AEAERN C[C@@H]1CCc2[nH]c(C(F)F)nc2C1 127528223 343813353 /nfs/dbraw/zinc/81/33/53/343813353.db2.gz DTACPAHSBBEFSG-RXMQYKEDSA-N 0 0 186.205 2.472 10 0 AEAERN CC[C@H](C)[N@@H+]1CCCC[C@@]1(C)C(=O)[O-] 127635263 343815882 /nfs/dbraw/zinc/81/58/82/343815882.db2.gz 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/nfs/dbraw/zinc/82/54/05/343825405.db2.gz BVQZFEKIDRFNRJ-UHFFFAOYSA-N 0 0 174.203 2.156 10 0 AEAERN O[C@@H](C[C@H]1CCCCO1)c1ccco1 128286018 343828390 /nfs/dbraw/zinc/82/83/90/343828390.db2.gz RRSTYRPPXMMGRF-ZJUUUORDSA-N 0 0 196.246 2.272 10 0 AEAERN COC(=N)c1coc2ccccc12 128706601 343836300 /nfs/dbraw/zinc/83/63/00/343836300.db2.gz QLYXNLAMMWLXTR-UHFFFAOYSA-N 0 0 175.187 2.405 10 0 AEAERN CCC[C@@H]1CCNc2cccnc2N1 128758758 343836962 /nfs/dbraw/zinc/83/69/62/343836962.db2.gz LXYCTBJLPUCRJK-SECBINFHSA-N 0 0 191.278 2.478 10 0 AEAERN O[C@H](C[C@@H]1CCCCO1)c1ccco1 128285214 343828391 /nfs/dbraw/zinc/82/83/91/343828391.db2.gz RRSTYRPPXMMGRF-VHSXEESVSA-N 0 0 196.246 2.272 10 0 AEAERN CN(C(=O)N1CCCCC1)C1CCC1 128308723 343828891 /nfs/dbraw/zinc/82/88/91/343828891.db2.gz FBPOQLCQUNOJOJ-UHFFFAOYSA-N 0 0 196.294 2.077 10 0 AEAERN CC(=O)c1cc(NC2CC2)ccc1N 128965337 343841224 /nfs/dbraw/zinc/84/12/24/343841224.db2.gz IVXOIUGQEJFEJF-UHFFFAOYSA-N 0 0 190.246 2.046 10 0 AEAERN COC1(c2nc(N)cs2)CCCC1 128961041 343841302 /nfs/dbraw/zinc/84/13/02/343841302.db2.gz POVXTQJRHMANDE-UHFFFAOYSA-N 0 0 198.291 2.141 10 0 AEAERN C[NH2+][C@H]1CCOc2c(C)cc(F)cc21 129264000 343847187 /nfs/dbraw/zinc/84/71/87/343847187.db2.gz HBNHSTUGMPDLFC-JTQLQIEISA-N 0 0 195.237 2.177 10 0 AEAERN [NH3+][C@H](c1ccsc1)[C@@H]1CCCCO1 129263977 343847211 /nfs/dbraw/zinc/84/72/11/343847211.db2.gz OSUIGTGJHFTTIC-VHSXEESVSA-N 0 0 197.303 2.317 10 0 AEAERN C[C@H](c1ccc(N)cc1)[NH+]1CC=CC1 129254044 343847219 /nfs/dbraw/zinc/84/72/19/343847219.db2.gz KIXWSRUDTRYHLL-SNVBAGLBSA-N 0 0 188.274 2.202 10 0 AEAERN CCOC(=O)Nc1cc(C(C)C)[nH]n1 129335096 343848010 /nfs/dbraw/zinc/84/80/10/343848010.db2.gz QCAKZBDGMKMFEJ-UHFFFAOYSA-N 0 0 197.238 2.102 10 0 AEAERN Cc1c[nH]nc1NC(=O)OC(C)(C)C 129321850 343848284 /nfs/dbraw/zinc/84/82/84/343848284.db2.gz LVLUMOAJVPDKQO-UHFFFAOYSA-N 0 0 197.238 2.065 10 0 AEAERN Cc1cccc2nc(Cl)[nH]c(=O)c12 129340297 343848740 /nfs/dbraw/zinc/84/87/40/343848740.db2.gz IGGAJSRWDYTDEP-UHFFFAOYSA-N 0 0 194.621 2.297 10 0 AEAERN CC(C)n1cc2c(N)cccc2n1 129457602 343850439 /nfs/dbraw/zinc/85/04/39/343850439.db2.gz IUOGKPDXRQEZFG-UHFFFAOYSA-N 0 0 175.235 2.199 10 0 AEAERN CC[C@H](C)Nc1cccc(OC)c1N 129559621 343853134 /nfs/dbraw/zinc/85/31/34/343853134.db2.gz HWIIBHUWXJEEEE-QMMMGPOBSA-N 0 0 194.278 2.488 10 0 AEAERN CC1N=NC(=S)N1[C@H]1CC[C@@H](C)C1 129721005 343855254 /nfs/dbraw/zinc/85/52/54/343855254.db2.gz JWYDQUYMQHXFFS-SVRRBLITSA-N 0 0 197.307 2.236 10 0 AEAERN CC1N=NC(=S)N1[C@@H]1CC[C@H](C)C1 129720395 343855260 /nfs/dbraw/zinc/85/52/60/343855260.db2.gz JWYDQUYMQHXFFS-POYBYMJQSA-N 0 0 197.307 2.236 10 0 AEAERN CC1([C@@H](NN)C2CCCCC2)CC1 129890816 343858990 /nfs/dbraw/zinc/85/89/90/343858990.db2.gz SZYXEVIIFDKVHI-JTQLQIEISA-N 0 0 182.311 2.199 10 0 AEAERN CSCC[C@H]1CCCCC1=O 129593124 343853750 /nfs/dbraw/zinc/85/37/50/343853750.db2.gz RNJSWGKWPCSLBQ-MRVPVSSYSA-N 0 0 172.293 2.499 10 0 AEAERN COc1cccc(N[C@H]2C[C@@H]2C)c1N 129611373 343853783 /nfs/dbraw/zinc/85/37/83/343853783.db2.gz ZOVUKMUPYASEHK-CBAPKCEASA-N 0 0 192.262 2.098 10 0 AEAERN COc1cccc(N[C@H]2C[C@H]2C)c1N 129611165 343853790 /nfs/dbraw/zinc/85/37/90/343853790.db2.gz ZOVUKMUPYASEHK-APPZFPTMSA-N 0 0 192.262 2.098 10 0 AEAERN C[C@@H]1CC[C@@H](Nc2nncs2)C1 129663172 343854685 /nfs/dbraw/zinc/85/46/85/343854685.db2.gz IBUXXCLULSFMRN-RNFRBKRXSA-N 0 0 183.280 2.139 10 0 AEAERN C[C@H]1CC[C@H](Nc2nncs2)C1 129662965 343854696 /nfs/dbraw/zinc/85/46/96/343854696.db2.gz IBUXXCLULSFMRN-BQBZGAKWSA-N 0 0 183.280 2.139 10 0 AEAERN CCOc1cccc(SC)c1N 129680862 343854709 /nfs/dbraw/zinc/85/47/09/343854709.db2.gz ZOHKLEDCBBJJKK-UHFFFAOYSA-N 0 0 183.276 2.389 10 0 AEAERN C[C@@H]1CC[C@@H](Nc2ncns2)C1 129682234 343854726 /nfs/dbraw/zinc/85/47/26/343854726.db2.gz CCZWKRUBUBPQRP-RNFRBKRXSA-N 0 0 183.280 2.139 10 0 AEAERN FC(F)n1cnc2c1CCCC2 129666458 343854729 /nfs/dbraw/zinc/85/47/29/343854729.db2.gz BTNQXMKOOORQGE-UHFFFAOYSA-N 0 0 172.178 2.157 10 0 AEAERN C[C@@H]1CC[C@H](Nc2ccncn2)C1 129672251 343854740 /nfs/dbraw/zinc/85/47/40/343854740.db2.gz VDJDLZFPJPQKDL-BDAKNGLRSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@@H]1CC[C@H](Nc2nncs2)C1 129662725 343854741 /nfs/dbraw/zinc/85/47/41/343854741.db2.gz IBUXXCLULSFMRN-RQJHMYQMSA-N 0 0 183.280 2.139 10 0 AEAERN C[C@H]1CC[C@@H](Nc2cccnn2)C1 129679012 343854744 /nfs/dbraw/zinc/85/47/44/343854744.db2.gz LIXBYOYRTXLLHL-DTWKUNHWSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@@H]1CC[C@@H](Nc2ccncn2)C1 129672607 343854750 /nfs/dbraw/zinc/85/47/50/343854750.db2.gz VDJDLZFPJPQKDL-RKDXNWHRSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@H]1CC[C@H](Nc2cccnn2)C1 129678558 343854751 /nfs/dbraw/zinc/85/47/51/343854751.db2.gz LIXBYOYRTXLLHL-IUCAKERBSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@@H]1CC[C@@H](Nc2cccnn2)C1 129678773 343854766 /nfs/dbraw/zinc/85/47/66/343854766.db2.gz LIXBYOYRTXLLHL-RKDXNWHRSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@H]1CC[C@@H](Nc2ccncn2)C1 129672835 343854771 /nfs/dbraw/zinc/85/47/71/343854771.db2.gz VDJDLZFPJPQKDL-DTWKUNHWSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@@H]1CC[C@H](Nc2ncns2)C1 129681792 343854772 /nfs/dbraw/zinc/85/47/72/343854772.db2.gz CCZWKRUBUBPQRP-RQJHMYQMSA-N 0 0 183.280 2.139 10 0 AEAERN C[C@H]1CC[C@H](Nc2ncns2)C1 129682021 343854773 /nfs/dbraw/zinc/85/47/73/343854773.db2.gz CCZWKRUBUBPQRP-BQBZGAKWSA-N 0 0 183.280 2.139 10 0 AEAERN O[C@@H](Cc1ccoc1)c1ccco1 130300112 343866319 /nfs/dbraw/zinc/86/63/19/343866319.db2.gz UYKXQTVAUFQUJB-VIFPVBQESA-N 0 0 178.187 2.149 10 0 AEAERN Cc1ccc([C@@H](O)Cc2ccco2)o1 130292578 343866341 /nfs/dbraw/zinc/86/63/41/343866341.db2.gz YSPIINSGTWMHAL-JTQLQIEISA-N 0 0 192.214 2.457 10 0 AEAERN O[C@H](Cc1ccco1)c1ccoc1 130369084 343867576 /nfs/dbraw/zinc/86/75/76/343867576.db2.gz HNYWSKZMXDXVTN-SNVBAGLBSA-N 0 0 178.187 2.149 10 0 AEAERN COC[C@H](F)c1cccc2c1NCC2 130595051 343871006 /nfs/dbraw/zinc/87/10/06/343871006.db2.gz JNBXIEQVKPLMOX-JTQLQIEISA-N 0 0 195.237 2.312 10 0 AEAERN FC(F)COc1cccc(Cl)n1 130624670 343871695 /nfs/dbraw/zinc/87/16/95/343871695.db2.gz MLROLTSDZHYMRJ-UHFFFAOYSA-N 0 0 193.580 2.379 10 0 AEAERN O[C@H](Cc1ccoc1)[C@@H]1CCCS1 130868969 343877122 /nfs/dbraw/zinc/87/71/22/343877122.db2.gz DXVFQIJUFFCISJ-ZJUUUORDSA-N 0 0 198.287 2.079 10 0 AEAERN CC[C@@H]1C[C@@H](O)c2cc(F)ccc2O1 130990477 343878871 /nfs/dbraw/zinc/87/88/71/343878871.db2.gz AXDKNYQCYXQWEU-PSASIEDQSA-N 0 0 196.221 2.420 10 0 AEAERN CC[C@H]1C[C@H](O)c2cc(F)ccc2O1 130990271 343878883 /nfs/dbraw/zinc/87/88/83/343878883.db2.gz AXDKNYQCYXQWEU-WPRPVWTQSA-N 0 0 196.221 2.420 10 0 AEAERN CC(C)Sc1cccnc1C[NH3+] 131016534 343878884 /nfs/dbraw/zinc/87/88/84/343878884.db2.gz HXKITJHRGLSKPY-UHFFFAOYSA-N 0 0 182.292 2.041 10 0 AEAERN CC[C@@H](C)[C@H](O)c1ncccc1F 131263985 343882951 /nfs/dbraw/zinc/88/29/51/343882951.db2.gz ZKZBIZCWGAWMOS-XCBNKYQSSA-N 0 0 183.226 2.300 10 0 AEAERN O[C@H](c1ncccc1F)C1CCCC1 131271761 343883242 /nfs/dbraw/zinc/88/32/42/343883242.db2.gz TUBDYECPTHPHOQ-NSHDSACASA-N 0 0 195.237 2.444 10 0 AEAERN Fc1cnccc1-c1nccs1 131877656 343890372 /nfs/dbraw/zinc/89/03/72/343890372.db2.gz KFSXPPBPQAFWHA-UHFFFAOYSA-N 0 0 180.207 2.344 10 0 AEAERN Cc1sc(-c2cncs2)nc1N 131877797 343890434 /nfs/dbraw/zinc/89/04/34/343890434.db2.gz RNZQLXZVWNBSFI-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN Cc1sc(CC(C)C)nc1N 131886335 343890443 /nfs/dbraw/zinc/89/04/43/343890443.db2.gz HFAXQIGETAVZOU-UHFFFAOYSA-N 0 0 170.281 2.232 10 0 AEAERN Cc1sc(CC(F)(F)F)nc1N 131889202 343890451 /nfs/dbraw/zinc/89/04/51/343890451.db2.gz LESULWPXXPVWRD-UHFFFAOYSA-N 0 0 196.197 2.139 10 0 AEAERN Cc1sc([C@@H]2C[C@H]2C)nc1N 131930324 343891127 /nfs/dbraw/zinc/89/11/27/343891127.db2.gz HXHCYKBKCPIMNM-INEUFUBQSA-N 0 0 168.265 2.157 10 0 AEAERN CC[C@@H](C)[C@H](O)c1cc(F)ccc1N 131940480 343891352 /nfs/dbraw/zinc/89/13/52/343891352.db2.gz KLULDILESFCEQJ-HQJQHLMTSA-N 0 0 197.253 2.487 10 0 AEAERN CSc1ccc([C@@H](C)NO)cc1 132119623 343894143 /nfs/dbraw/zinc/89/41/43/343894143.db2.gz MAANRGHDTWTMBH-SSDOTTSWSA-N 0 0 183.276 2.448 10 0 AEAERN OCC1(Cc2ccoc2)CCCC1 132130373 343894684 /nfs/dbraw/zinc/89/46/84/343894684.db2.gz HZRZZYIZGHPOCB-UHFFFAOYSA-N 0 0 180.247 2.375 10 0 AEAERN CC(C)[C@@H]1CCCC[C@H]1NO 132138854 343894744 /nfs/dbraw/zinc/89/47/44/343894744.db2.gz JJKPAJLITUYGAQ-DTWKUNHWSA-N 0 0 157.257 2.180 10 0 AEAERN Cc1ccc2oc(NN)cc2c1 132158031 343895178 /nfs/dbraw/zinc/89/51/78/343895178.db2.gz JZRKUVNRRKHLLF-UHFFFAOYSA-N 0 0 162.192 2.027 10 0 AEAERN Cc1cccc([C@H](C)NO)c1 132155030 343895180 /nfs/dbraw/zinc/89/51/80/343895180.db2.gz YRZGBCFIYMDATJ-QMMMGPOBSA-N 0 0 151.209 2.035 10 0 AEAERN C[C@@H]1C[C@@H](NO)CC(C)(C)C1 132172044 343895188 /nfs/dbraw/zinc/89/51/88/343895188.db2.gz RODBBLSSPFYWQD-HTQZYQBOSA-N 0 0 157.257 2.180 10 0 AEAERN CC[C@@H]1CCC[C@@H](NO)CC1 132161497 343895190 /nfs/dbraw/zinc/89/51/90/343895190.db2.gz WBTSNVBKPQQKJH-RKDXNWHRSA-N 0 0 157.257 2.324 10 0 AEAERN ONCc1[nH]c2ccccc2c1Cl 132169869 343895191 /nfs/dbraw/zinc/89/51/91/343895191.db2.gz AIURSZYTGJJPJX-UHFFFAOYSA-N 0 0 196.637 2.300 10 0 AEAERN Cc1cccc2cc(NN)oc12 132157573 343895230 /nfs/dbraw/zinc/89/52/30/343895230.db2.gz VBBYERQNGYWSIK-UHFFFAOYSA-N 0 0 162.192 2.027 10 0 AEAERN CC[C@@H](NO)c1ccc(C)cc1 132181976 343895589 /nfs/dbraw/zinc/89/55/89/343895589.db2.gz QDRCDWBBJTYEAS-SNVBAGLBSA-N 0 0 165.236 2.425 10 0 AEAERN ONC1CC(c2cccc(F)c2)C1 132188904 343895603 /nfs/dbraw/zinc/89/56/03/343895603.db2.gz XQYZOWCBKPOAAC-UHFFFAOYSA-N 0 0 181.210 2.051 10 0 AEAERN Cc1ccc([C@@H](NO)C2CC2)cc1 132187205 343895604 /nfs/dbraw/zinc/89/56/04/343895604.db2.gz FNWHPUFSVIFCRV-LLVKDONJSA-N 0 0 177.247 2.425 10 0 AEAERN Fc1ccc(OCc2ccoc2)cn1 132217467 343895621 /nfs/dbraw/zinc/89/56/21/343895621.db2.gz MGFGTUVJZYJJAI-UHFFFAOYSA-N 0 0 193.177 2.393 10 0 AEAERN CO[C@H](c1nccc(Cl)n1)C1CC1 131504383 343886020 /nfs/dbraw/zinc/88/60/20/343886020.db2.gz UNFFKIVQRKGMDY-QMMMGPOBSA-N 0 0 198.653 2.228 10 0 AEAERN CN[C@@H](C=C(C)C)c1ncccc1F 131475005 343886048 /nfs/dbraw/zinc/88/60/48/343886048.db2.gz ZARADJPDXZVDED-JTQLQIEISA-N 0 0 194.253 2.447 10 0 AEAERN COC1(c2nccc(Cl)n2)CCC1 131505920 343886057 /nfs/dbraw/zinc/88/60/57/343886057.db2.gz AILULFXXXCQNHH-UHFFFAOYSA-N 0 0 198.653 2.156 10 0 AEAERN CC(=O)c1ccc(N(C)C2CC2)o1 131533837 343886514 /nfs/dbraw/zinc/88/65/14/343886514.db2.gz HHOLNYABOJAZKW-UHFFFAOYSA-N 0 0 179.219 2.081 10 0 AEAERN Brc1cnncc1C1CC1 82384061 166009842 /nfs/dbraw/zinc/00/98/42/166009842.db2.gz YQHJZUYADOTVAN-UHFFFAOYSA-N 0 0 199.051 2.117 10 0 AEAERN Brc1nccc(C2CC2)n1 72204602 166009863 /nfs/dbraw/zinc/00/98/63/166009863.db2.gz FBGLULFMMRWXEI-UHFFFAOYSA-N 0 0 199.051 2.117 10 0 AEAERN CN[C@H](C=C(C)C)c1ncc(C)cn1 132676065 343902422 /nfs/dbraw/zinc/90/24/22/343902422.db2.gz UFGFCEVQUJFDHC-SNVBAGLBSA-N 0 0 191.278 2.012 10 0 AEAERN C(=Cc1ccco1)c1cc[nH]n1 3820757 166044194 /nfs/dbraw/zinc/04/41/94/166044194.db2.gz PJLORFGDSVWAEC-ONEGZZNKSA-N 0 0 160.176 2.173 10 0 AEAERN C(=C/C1OCCCO1)\c1ccccc1 1597703 166045027 /nfs/dbraw/zinc/04/50/27/166045027.db2.gz RYBKJHOKANEUER-BQYQJAHWSA-N 0 0 190.242 2.463 10 0 AEAERN C/C(=C/Cc1ccccc1)CO 39247616 166048447 /nfs/dbraw/zinc/04/84/47/166048447.db2.gz KGLSALQMUKUVFF-YFHOEESVSA-N 0 0 162.232 2.168 10 0 AEAERN C/C(=C/c1cccc(O)c1)[N+](=O)[O-] 44709715 166048718 /nfs/dbraw/zinc/04/87/18/166048718.db2.gz PSRIKSDCVRDVKZ-ALCCZGGFSA-N 0 0 179.175 2.030 10 0 AEAERN C/C(=C/[N+](=O)[O-])c1ccccc1 59124779 166048755 /nfs/dbraw/zinc/04/87/55/166048755.db2.gz KFNFMBKUWFTFAE-FPLPWBNLSA-N 0 0 163.176 2.324 10 0 AEAERN C/C(=C/c1cccc(F)c1)[N+](=O)[O-] 83253512 166048969 /nfs/dbraw/zinc/04/89/69/166048969.db2.gz OBBJCFSPKQMJEN-ALCCZGGFSA-N 0 0 181.166 2.463 10 0 AEAERN C/C(=C/c1ccccc1)C(=O)N(C)C 6301100 166048986 /nfs/dbraw/zinc/04/89/86/166048986.db2.gz DBPUUFLWAAYBLB-KTKRTIGZSA-N 0 0 189.258 2.178 10 0 AEAERN CC(C=O)c1ccccn1 100046121 166049028 /nfs/dbraw/zinc/04/90/28/166049028.db2.gz XEOUANUUUCYFOB-SREVYHEPSA-N 0 0 135.166 2.000 10 0 AEAERN C/C(=C\C(C)(C)C)[N+](=O)[O-] 21304267 166049971 /nfs/dbraw/zinc/04/99/71/166049971.db2.gz YSDSOZGAMKZUCY-AATRIKPKSA-N 0 0 143.186 2.213 10 0 AEAERN C/C(=C\Cc1ccccc1O)[C@@H](C)O 75580859 166050449 /nfs/dbraw/zinc/05/04/49/166050449.db2.gz KXQYBVXGUDRAOV-TTZKWOQHSA-N 0 0 192.258 2.262 10 0 AEAERN C/C(=C\c1cccc(O)c1)[N+](=O)[O-] 42905520 166050498 /nfs/dbraw/zinc/05/04/98/166050498.db2.gz PSRIKSDCVRDVKZ-FNORWQNLSA-N 0 0 179.175 2.030 10 0 AEAERN C/C(=C\c1ccc(C)cc1)CO 34627752 166051257 /nfs/dbraw/zinc/05/12/57/166051257.db2.gz WWHATUWNHYNMNW-JXMROGBWSA-N 0 0 162.232 2.391 10 0 AEAERN CC(C=O)c1ccccn1 100187606 166051466 /nfs/dbraw/zinc/05/14/66/166051466.db2.gz XEOUANUUUCYFOB-VOTSOKGWSA-N 0 0 135.166 2.000 10 0 AEAERN C/C(=C\[N+](=O)[O-])c1ccccc1 71260680 166051487 /nfs/dbraw/zinc/05/14/87/166051487.db2.gz KFNFMBKUWFTFAE-BQYQJAHWSA-N 0 0 163.176 2.324 10 0 in-vitro AEAERN C/C(=C\c1ccccc1O)[N+](=O)[O-] 34589111 166051967 /nfs/dbraw/zinc/05/19/67/166051967.db2.gz MHOBLCWGHYOAOS-VOTSOKGWSA-N 0 0 179.175 2.030 10 0 in-vitro AEAERN C/C(=C\[C@H](C)c1ccccc1O)CO 75580876 166052058 /nfs/dbraw/zinc/05/20/58/166052058.db2.gz 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25489416 166067323 /nfs/dbraw/zinc/06/73/23/166067323.db2.gz PWZRAFPNQSAEBD-NSCUHMNNSA-N 0 0 119.167 2.115 10 0 AEAERN C/C=C/c1cccc(C)n1 39050103 166067351 /nfs/dbraw/zinc/06/73/51/166067351.db2.gz MQXVXWCUFWOEAG-HWKANZROSA-N 0 0 133.194 2.423 10 0 AEAERN C/C=C/c1cc2c(cc1OC)OCO2 899812 166067435 /nfs/dbraw/zinc/06/74/35/166067435.db2.gz OTRFVHWXENKCEG-ONEGZZNKSA-N 0 0 192.214 2.457 10 0 in-vitro AEAERN C/C=C/c1ccc2c(c1O)OCCO2 34610275 166067647 /nfs/dbraw/zinc/06/76/47/166067647.db2.gz JRQQRKVEGCIPLS-NSCUHMNNSA-N 0 0 192.214 2.197 10 0 AEAERN C/C=C1/CN1Cc1ccccc1 100232066 166067685 /nfs/dbraw/zinc/06/76/85/166067685.db2.gz QDVWVKBTCCYZFO-FUQNDXKWSA-N 0 0 159.232 2.406 10 0 AEAERN C/C=C\C1=NO[C@H]2CCC[C@H]12 39111524 166068152 /nfs/dbraw/zinc/06/81/52/166068152.db2.gz ZGKRGKRTWDMLCW-BOFKIXDQSA-N 0 0 151.209 2.117 10 0 AEAERN C/C=C\C1=NO[C@H]2CCC[C@@H]12 39111526 166068209 /nfs/dbraw/zinc/06/82/09/166068209.db2.gz ZGKRGKRTWDMLCW-FKOSFJKKSA-N 0 0 151.209 2.117 10 0 AEAERN C/C=C\C1=C2OC(=O)C=C2CCC1 45809521 166068220 /nfs/dbraw/zinc/06/82/20/166068220.db2.gz MBQZTDGWJFAQMJ-RQOWECAXSA-N 0 0 176.215 2.484 10 0 AEAERN C/C=C\C=C/C 72099259 166068243 /nfs/dbraw/zinc/06/82/43/166068243.db2.gz APPOKADJQUIAHP-GLIMQPGKSA-N 0 0 82.146 2.139 10 0 AEAERN C/C=C\C1=NO[C@@H]2CCC[C@@H]12 39111527 166068267 /nfs/dbraw/zinc/06/82/67/166068267.db2.gz ZGKRGKRTWDMLCW-OEQCUVSTSA-N 0 0 151.209 2.117 10 0 AEAERN C/C=C\C(=O)Oc1ccc(C)cc1 85482093 166068283 /nfs/dbraw/zinc/06/82/83/166068283.db2.gz FGJQFRNEXKYBQC-ARJAWSKDSA-N 0 0 176.215 2.477 10 0 AEAERN C/C=C\C1=NO[C@@H]2CCC[C@H]12 39111525 166068453 /nfs/dbraw/zinc/06/84/53/166068453.db2.gz ZGKRGKRTWDMLCW-BDVIIGTHSA-N 0 0 151.209 2.117 10 0 AEAERN C/C=C\C(=O)n1cnc2ccccc21 38804700 166068596 /nfs/dbraw/zinc/06/85/96/166068596.db2.gz FWVLVGAPNCWTKL-DJWKRKHSSA-N 0 0 186.214 2.253 10 0 AEAERN C/C=C\c1cccnc1 39367458 166068966 /nfs/dbraw/zinc/06/89/66/166068966.db2.gz SJLQYVZDSRERTN-RQOWECAXSA-N 0 0 119.167 2.115 10 0 AEAERN C/C=C\[C@H](C)NC(=O)OC(C)(C)C 39094532 166069251 /nfs/dbraw/zinc/06/92/51/166069251.db2.gz VYBCRIWHFRNYAQ-UAPHAKCISA-N 0 0 185.267 2.476 10 0 AEAERN C/C=C\c1cccc(OC)c1N 39089503 166069300 /nfs/dbraw/zinc/06/93/00/166069300.db2.gz OIDNJOTUCZLNPU-HYXAFXHYSA-N 0 0 163.220 2.311 10 0 AEAERN C/C=C\c1ccc(C)nc1 72231350 166069336 /nfs/dbraw/zinc/06/93/36/166069336.db2.gz TUWGANWRTXPCDD-ARJAWSKDSA-N 0 0 133.194 2.423 10 0 AEAERN C/C=C\[C@H](C)CC(C)=O 39068232 166069386 /nfs/dbraw/zinc/06/93/86/166069386.db2.gz PSTSQXUQBXJPIB-MJSGSUOKSA-N 0 0 126.199 2.178 10 0 AEAERN C/C=C\n1c(O)cccc1=S 39124611 166069540 /nfs/dbraw/zinc/06/95/40/166069540.db2.gz UYJWXEMELKJPQN-KXFIGUGUSA-N 0 0 167.233 2.414 10 0 AEAERN C/C=C\c1cc2c(cc1OC)OCO2 31970702 166069696 /nfs/dbraw/zinc/06/96/96/166069696.db2.gz OTRFVHWXENKCEG-ARJAWSKDSA-N 0 0 192.214 2.457 10 0 AEAERN C/C=C\c1ccccn1 33918766 166069953 /nfs/dbraw/zinc/06/99/53/166069953.db2.gz SMTDFMMXJHYDDE-DJWKRKHSSA-N 0 0 119.167 2.115 10 0 AEAERN C/C=C\[C@H](C)O[C@H]1CCCCO1 255993249 166070026 /nfs/dbraw/zinc/07/00/26/166070026.db2.gz OVFVGQCBOSNTGX-YWWWGHDXSA-N 0 0 170.252 2.494 10 0 AEAERN C/C=C\c1cccc(C)n1 39050102 166070203 /nfs/dbraw/zinc/07/02/03/166070203.db2.gz MQXVXWCUFWOEAG-HYXAFXHYSA-N 0 0 133.194 2.423 10 0 AEAERN C/C=C\c1ccc(OC)c(O)c1 14589805 166070354 /nfs/dbraw/zinc/07/03/54/166070354.db2.gz LHJZSWVADJCBNI-ARJAWSKDSA-N 0 0 164.204 2.434 10 0 AEAERN C/C=C\c1ccncc1 39367466 166070517 /nfs/dbraw/zinc/07/05/17/166070517.db2.gz PWZRAFPNQSAEBD-IHWYPQMZSA-N 0 0 119.167 2.115 10 0 AEAERN CC=Cc1cncc2c1C(=O)CC2 85997954 166070563 /nfs/dbraw/zinc/07/05/63/166070563.db2.gz GPTPGVAFNHJJTP-IHWYPQMZSA-N 0 0 173.215 2.244 10 0 AEAERN CC=Cc1nc2c(o1)CCCC2=O 90628973 166070615 /nfs/dbraw/zinc/07/06/15/166070615.db2.gz IFBKODGEMHZPBP-RQOWECAXSA-N 0 0 177.203 2.227 10 0 AEAERN C/C=C\[Si](C)(C)C 195761609 166070668 /nfs/dbraw/zinc/07/06/68/166070668.db2.gz UDYJJCZCPMQSQG-WAYWQWQTSA-N 0 0 114.264 2.440 10 0 AEAERN C1=C(CSc2c[nH]nn2)CCCC1 334623247 166071469 /nfs/dbraw/zinc/07/14/69/166071469.db2.gz QWPJEBHTRKRZPF-UHFFFAOYSA-N 0 0 195.291 2.397 10 0 AEAERN C1=C(C2CCC2)OCC1 90751096 166071787 /nfs/dbraw/zinc/07/17/87/166071787.db2.gz QHOCAOFCHVFIHX-UHFFFAOYSA-N 0 0 124.183 2.091 10 0 AEAERN C1=C(CSc2nc[nH]n2)CCCC1 336195174 166072139 /nfs/dbraw/zinc/07/21/39/166072139.db2.gz PIGABHMJUWJJBI-UHFFFAOYSA-N 0 0 195.291 2.397 10 0 AEAERN C1=C(CNc2nncs2)CCCC1 306817802 166072357 /nfs/dbraw/zinc/07/23/57/166072357.db2.gz BNPIASGFNBCMNZ-UHFFFAOYSA-N 0 0 195.291 2.450 10 0 AEAERN C1=C(c2ccccc2)OCOC1 39120312 166072426 /nfs/dbraw/zinc/07/24/26/166072426.db2.gz IRFNSIJENXMCHF-UHFFFAOYSA-N 0 0 162.188 2.032 10 0 AEAERN C1=C(CN2CCCO2)CCCC1 336283733 166073069 /nfs/dbraw/zinc/07/30/69/166073069.db2.gz PYWGFPFHNZFXBB-UHFFFAOYSA-N 0 0 167.252 2.124 10 0 AEAERN C1=C(c2ccccn2)CC1 34753694 166073494 /nfs/dbraw/zinc/07/34/94/166073494.db2.gz QQIVKFMQAXFOIE-UHFFFAOYSA-N 0 0 131.178 2.259 10 0 AEAERN C1=CC2=NCc3cccc(c32)C1 39095531 166073623 /nfs/dbraw/zinc/07/36/23/166073623.db2.gz MSQPGRIWNOFABJ-UHFFFAOYSA-N 0 0 155.200 2.102 10 0 AEAERN c1ccc2c(c1)nc1n2CSC1 100178650 166073736 /nfs/dbraw/zinc/07/37/36/166073736.db2.gz ITFRUQJFZYEHIB-UHFFFAOYSA-N 0 0 176.244 2.422 10 0 AEAERN C1=C(c2cccs2)[C@@H]2CC[C@H]1[NH2+]2 73164512 166073973 /nfs/dbraw/zinc/07/39/73/166073973.db2.gz ZGCURIIJLKXIIG-APPZFPTMSA-N 0 0 177.272 2.266 10 0 AEAERN C1=CC2=Cc3nocc3CC2=C1 39112998 166074024 /nfs/dbraw/zinc/07/40/24/166074024.db2.gz WTAPDKIXESVJOI-UHFFFAOYSA-N 0 0 157.172 2.110 10 0 AEAERN C1=C(c2ccco2)C2CC[NH+]1CC2 53057633 166074128 /nfs/dbraw/zinc/07/41/28/166074128.db2.gz HNQCDUJRXDPLHW-UHFFFAOYSA-N 0 0 175.231 2.346 10 0 AEAERN C1=C2CCCC=C2OCC1 24191010 166074182 /nfs/dbraw/zinc/07/41/82/166074182.db2.gz DPRUFAVWXUBZDL-UHFFFAOYSA-N 0 0 136.194 2.401 10 0 AEAERN C1=CC=CCCC=C1 2011433 166074290 /nfs/dbraw/zinc/07/42/90/166074290.db2.gz ICPMUWPXCAVOOQ-UHFFFAOYSA-N 0 0 106.168 2.449 10 0 in-vitro AEAERN C1=C2C=C3SCN=C3C(=C1)C2 95932621 166074434 /nfs/dbraw/zinc/07/44/34/166074434.db2.gz XBZLBJCJNRRPKK-UHFFFAOYSA-N 0 0 161.229 2.286 10 0 AEAERN C1=CC2=C(OC1)c1ncsc1CC2 45237867 166074678 /nfs/dbraw/zinc/07/46/78/166074678.db2.gz STBSIRVQNOSKIK-UHFFFAOYSA-N 0 0 191.255 2.387 10 0 AEAERN C1=CC2(CCCC2)N=N1 90755012 166074754 /nfs/dbraw/zinc/07/47/54/166074754.db2.gz ZYTAAAFDDCKEDZ-UHFFFAOYSA-N 0 0 122.171 2.279 10 0 AEAERN C1=C2Cc3ccccc3N2CC1 100231835 166074927 /nfs/dbraw/zinc/07/49/27/166074927.db2.gz KUJKIKDUADEZJA-UHFFFAOYSA-N 0 0 157.216 2.337 10 0 AEAERN C1=CC2=Cc3ocnc3CC2=C1 39128763 166074954 /nfs/dbraw/zinc/07/49/54/166074954.db2.gz HTHKTIKFDRUXOP-UHFFFAOYSA-N 0 0 157.172 2.110 10 0 AEAERN C1=CC2=C(OC1)c1scnc1CC2 45237866 166074977 /nfs/dbraw/zinc/07/49/77/166074977.db2.gz OKEMGGQPGXXWSQ-UHFFFAOYSA-N 0 0 191.255 2.387 10 0 AEAERN C1=CC[C@H](Cc2c[nH]cn2)CC1 44672364 166075411 /nfs/dbraw/zinc/07/54/11/166075411.db2.gz WXCDRTJXHWUZBK-VIFPVBQESA-N 0 0 162.236 2.309 10 0 AEAERN C1=Cn2c(nc3ccccc32)CO1 100122896 166075476 /nfs/dbraw/zinc/07/54/76/166075476.db2.gz CDWOLSYDHITLKJ-UHFFFAOYSA-N 0 0 172.187 2.219 10 0 AEAERN C1=CC[C@H](CNc2cn[nH]c2)CC1 35763692 166075583 /nfs/dbraw/zinc/07/55/83/166075583.db2.gz YYQMBXUGXDYCGO-VIFPVBQESA-N 0 0 177.251 2.178 10 0 AEAERN C1=CCc2ccccc2OC1 23671335 166076034 /nfs/dbraw/zinc/07/60/34/166076034.db2.gz RJCHLKZWCLIACQ-UHFFFAOYSA-N 0 0 146.189 2.178 10 0 AEAERN C1=CC[C@H]2CC3(C[C@@H]2C1)OCCO3 39285109 166076075 /nfs/dbraw/zinc/07/60/75/166076075.db2.gz VYGFOIPPMMXQBI-UWVGGRQHSA-N 0 0 180.247 2.106 10 0 AEAERN C[C@@H]1CC(C)(C)CC[C@H]1NO 132192849 343895634 /nfs/dbraw/zinc/89/56/34/343895634.db2.gz AWGZUPHUXYUBFR-HTQZYQBOSA-N 0 0 157.257 2.180 10 0 AEAERN C1=CC[C@H]2CSC[C@H]2C1 18097236 166076711 /nfs/dbraw/zinc/07/67/11/166076711.db2.gz ASTZLIXTXJMRFI-OCAPTIKFSA-N 0 0 140.251 2.316 10 0 AEAERN C1=CC[C@@H](CNc2cn[nH]c2)CC1 35763693 166076877 /nfs/dbraw/zinc/07/68/77/166076877.db2.gz YYQMBXUGXDYCGO-SECBINFHSA-N 0 0 177.251 2.178 10 0 AEAERN C1=CC[C@@H]2CC3(C[C@H]2C1)OCCO3 39285108 166076915 /nfs/dbraw/zinc/07/69/15/166076915.db2.gz VYGFOIPPMMXQBI-NXEZZACHSA-N 0 0 180.247 2.106 10 0 AEAERN C1=COc2ccncc2C=C1 23672423 166077109 /nfs/dbraw/zinc/07/71/09/166077109.db2.gz LQZLMHSGCZTWOG-UHFFFAOYSA-N 0 0 145.161 2.001 10 0 AEAERN C1=COc2ncccc2C=C1 23672559 166077258 /nfs/dbraw/zinc/07/72/58/166077258.db2.gz UPTASVMTYWSPMF-UHFFFAOYSA-N 0 0 145.161 2.001 10 0 AEAERN C1=CSCCC1 5217520 166077569 /nfs/dbraw/zinc/07/75/69/166077569.db2.gz ATVJJNGVPSKBGO-UHFFFAOYSA-N 0 0 100.186 2.027 10 0 AEAERN C1=C[C@@H](c2c[nH]cn2)CCC1 39132798 166077572 /nfs/dbraw/zinc/07/75/72/166077572.db2.gz FWGQGDWTSWWODU-MRVPVSSYSA-N 0 0 148.209 2.233 10 0 AEAERN C1=COc2cnccc2C=C1 23672443 166077584 /nfs/dbraw/zinc/07/75/84/166077584.db2.gz GOMVUJNGEMPJQE-UHFFFAOYSA-N 0 0 145.161 2.001 10 0 AEAERN C1=C[C@@H]2CCC[C@H]2C1 66377898 166077658 /nfs/dbraw/zinc/07/76/58/166077658.db2.gz KEHFJHPSOFFXBO-HTQZYQBOSA-N 0 0 108.184 2.363 10 0 in-vitro AEAERN C1=CNn2c(nc3ccccc32)C=C1 95923147 166077680 /nfs/dbraw/zinc/07/76/80/166077680.db2.gz UNYFTWMJOGLMAZ-UHFFFAOYSA-N 0 0 183.214 2.120 10 0 AEAERN C1=C[C@@H](OCc2ccccc2)OC1 22004157 166077720 /nfs/dbraw/zinc/07/77/20/166077720.db2.gz VOQNTNBPPNLFJF-LLVKDONJSA-N 0 0 176.215 2.116 10 0 AEAERN C1=CO[C@H](CNc2cccnc2)CC1 50267128 166077789 /nfs/dbraw/zinc/07/77/89/166077789.db2.gz VEUUEOAXLNHERI-NSHDSACASA-N 0 0 190.246 2.186 10 0 AEAERN C1=COCc2cccn2C=C1 21345062 166077954 /nfs/dbraw/zinc/07/79/54/166077954.db2.gz FRODVHSZRIGYAM-UHFFFAOYSA-N 0 0 147.177 2.003 10 0 AEAERN C1=CO[C@@H](CNc2cccnc2)CC1 50267129 166078018 /nfs/dbraw/zinc/07/80/18/166078018.db2.gz VEUUEOAXLNHERI-LLVKDONJSA-N 0 0 190.246 2.186 10 0 AEAERN C1=CNc2ccccc2C1 102249298 166078495 /nfs/dbraw/zinc/07/84/95/166078495.db2.gz ROBKVGDBQLURAF-UHFFFAOYSA-N 0 0 131.178 2.168 10 0 AEAERN C1=COc2ccccc2C1 6117205 166078499 /nfs/dbraw/zinc/07/84/99/166078499.db2.gz JCIDEANDDNSHQC-UHFFFAOYSA-N 0 0 132.162 2.135 10 0 in-vitro AEAERN C1=CNc2nc3ccccc3n2C=C1 95923110 166078531 /nfs/dbraw/zinc/07/85/31/166078531.db2.gz RDEVLHBTYUNHCR-UHFFFAOYSA-N 0 0 183.214 2.446 10 0 AEAERN C1=C[C@H](OCc2ccccc2)OC1 22004154 166078536 /nfs/dbraw/zinc/07/85/36/166078536.db2.gz VOQNTNBPPNLFJF-NSHDSACASA-N 0 0 176.215 2.116 10 0 AEAERN C1=Cc2cnccc2CC1 24190616 166079021 /nfs/dbraw/zinc/07/90/21/166079021.db2.gz PXACLMDMQJIEEB-UHFFFAOYSA-N 0 0 131.178 2.041 10 0 AEAERN C1=Cc2cn3c(nc4ccccc43)c2=C1 95936063 166079024 /nfs/dbraw/zinc/07/90/24/166079024.db2.gz JEPIDYPHPHRPDC-UHFFFAOYSA-N 0 0 192.221 2.014 10 0 AEAERN C1=Cc2cc3nc4ccccc4n3c2=C1 95936064 166079049 /nfs/dbraw/zinc/07/90/49/166079049.db2.gz IABMDSWJQPKJEP-UHFFFAOYSA-N 0 0 192.221 2.014 10 0 AEAERN C1=C[C@H](c2ccccc2)OC1 38220247 166079068 /nfs/dbraw/zinc/07/90/68/166079068.db2.gz WQMKMOVWAJSEFA-SNVBAGLBSA-N 0 0 146.189 2.314 10 0 AEAERN C1=Cc2ccccc2[N-][NH+]=C1 6117169 166079079 /nfs/dbraw/zinc/07/90/79/166079079.db2.gz SVUOLADPCWQTTE-UHFFFAOYSA-N 0 0 144.177 2.111 10 0 world AEAERN C1=Cc2cc3oncc3cc2C1 39113008 166079111 /nfs/dbraw/zinc/07/91/11/166079111.db2.gz QVFWKSMADIBXMK-UHFFFAOYSA-N 0 0 157.172 2.397 10 0 AEAERN C1=Cc2ccccc2NC=N1 23672690 166079120 /nfs/dbraw/zinc/07/91/20/166079120.db2.gz FMMHUIFSJWVNAE-UHFFFAOYSA-N 0 0 144.177 2.111 10 0 AEAERN C1=Cc2ccccc2CO1 24190627 166079145 /nfs/dbraw/zinc/07/91/45/166079145.db2.gz MFJCPDOGFAYSTF-UHFFFAOYSA-N 0 0 132.162 2.188 10 0 in-vitro AEAERN C1=C[C@H]2CCC[C@H]2C1 2584379 166079164 /nfs/dbraw/zinc/07/91/64/166079164.db2.gz KEHFJHPSOFFXBO-JGVFFNPUSA-N 0 0 108.184 2.363 10 0 in-vitro AEAERN C1=Cc2cc3ocnc3cc2C1 39128765 166079218 /nfs/dbraw/zinc/07/92/18/166079218.db2.gz CPIMAQGKJQQTKC-UHFFFAOYSA-N 0 0 157.172 2.397 10 0 AEAERN C1=C[C@H]2[C@@H](C1)[C@@H]1C[C@H]2[C@@H]2COC[C@H]12 256415570 166079237 /nfs/dbraw/zinc/07/92/37/166079237.db2.gz FMBVYOJRAPLYTN-NDUODEIHSA-N 0 0 176.259 2.091 10 0 AEAERN C1=C[C@H]2[C@@H](C1)[C@@H]1C[C@H]2[C@H]2COC[C@@H]12 256415573 166079261 /nfs/dbraw/zinc/07/92/61/166079261.db2.gz FMBVYOJRAPLYTN-ZYQGQYISSA-N 0 0 176.259 2.091 10 0 AEAERN C1=Cc2c1ncc1ccoc21 39051131 166079262 /nfs/dbraw/zinc/07/92/62/166079262.db2.gz NHLLYSDVHUMHQT-UHFFFAOYSA-N 0 0 143.145 2.312 10 0 AEAERN C1=C[C@H]2C[C@@H]1c1ncccc12 34164854 166079265 /nfs/dbraw/zinc/07/92/65/166079265.db2.gz SCAVRLDHVKQLSP-JGVFFNPUSA-N 0 0 143.189 2.222 10 0 AEAERN C1=Cc2ccccc2N2C=C12 53628848 166079270 /nfs/dbraw/zinc/07/92/70/166079270.db2.gz IAURZAIVYWPVOX-UHFFFAOYSA-N 0 0 141.173 2.375 10 0 AEAERN C1=C[C@H](c2c[nH]cn2)CCC1 39132796 166079288 /nfs/dbraw/zinc/07/92/88/166079288.db2.gz FWGQGDWTSWWODU-QMMMGPOBSA-N 0 0 148.209 2.233 10 0 AEAERN C1=Cc2cccc3ncn(c23)C1 78974060 166079425 /nfs/dbraw/zinc/07/94/25/166079425.db2.gz OWNGSVVFNBFQIH-UHFFFAOYSA-N 0 0 156.188 2.063 10 0 AEAERN C1=Cc2ccncc2CC1 24190618 166079467 /nfs/dbraw/zinc/07/94/67/166079467.db2.gz MCGVFCHUDYSSJV-UHFFFAOYSA-N 0 0 131.178 2.041 10 0 AEAERN C1=Cc2ccccc2NC1 24190721 166079472 /nfs/dbraw/zinc/07/94/72/166079472.db2.gz IRFSXVIRXMYULF-UHFFFAOYSA-N 0 0 131.178 2.125 10 0 AEAERN C1=C[C@H]2C[C@@H]1C1=CCC=C12 71786250 166079608 /nfs/dbraw/zinc/07/96/08/166079608.db2.gz NZJIGYSMNUZUSW-OCAPTIKFSA-N 0 0 130.190 2.449 10 0 AEAERN C1=C[C@H]2[C@@H](C1)[C@@H]1C[C@H]2[C@@H]2COC[C@@H]12 256415564 166079635 /nfs/dbraw/zinc/07/96/35/166079635.db2.gz FMBVYOJRAPLYTN-DOUOGLJNSA-N 0 0 176.259 2.091 10 0 AEAERN C1=Cc2c(ccc3nccnc23)C1 39134567 166079655 /nfs/dbraw/zinc/07/96/55/166079655.db2.gz DYKVVAQBLWTLSJ-UHFFFAOYSA-N 0 0 168.199 2.199 10 0 AEAERN C1=Cc2cccnc2CC1 24190663 166079784 /nfs/dbraw/zinc/07/97/84/166079784.db2.gz RKNCRHZZEDXQRF-UHFFFAOYSA-N 0 0 131.178 2.041 10 0 AEAERN C1=Cc2cccc3onc(c23)C1 39113010 166079975 /nfs/dbraw/zinc/07/99/75/166079975.db2.gz WFRBCBHCUMWYTK-UHFFFAOYSA-N 0 0 157.172 2.397 10 0 AEAERN C1=C[C@H]2CCC[C@@H]2C1 66377900 166080138 /nfs/dbraw/zinc/08/01/38/166080138.db2.gz KEHFJHPSOFFXBO-YUMQZZPRSA-N 0 0 108.184 2.363 10 0 in-vitro AEAERN C1=Cc2cccnc2C=CO1 23672749 166080199 /nfs/dbraw/zinc/08/01/99/166080199.db2.gz UMVAKJYMOSCMHX-UHFFFAOYSA-N 0 0 145.161 2.053 10 0 AEAERN C1=Cc2ccccc2N=CO1 23672693 166080255 /nfs/dbraw/zinc/08/02/55/166080255.db2.gz CUNVBWNVIDBXCA-UHFFFAOYSA-N 0 0 145.161 2.347 10 0 AEAERN C1=C[C@H]2[C@@H](C1)[C@@H]1C[C@H]2[C@H]2COC[C@H]12 256415568 166080291 /nfs/dbraw/zinc/08/02/91/166080291.db2.gz FMBVYOJRAPLYTN-IFGRULIISA-N 0 0 176.259 2.091 10 0 AEAERN C1=Cc2ncccc2NS1 39050424 166080505 /nfs/dbraw/zinc/08/05/05/166080505.db2.gz YZOGXPKLEDDFDR-UHFFFAOYSA-N 0 0 150.206 2.126 10 0 AEAERN C1=Cn2c(nc3ccccc32)SN1 95931720 166080806 /nfs/dbraw/zinc/08/08/06/166080806.db2.gz FCOHPNNFXCQQNU-UHFFFAOYSA-N 0 0 189.243 2.075 10 0 AEAERN c1ccc2c(c1)[nH]c1cccn12 241747 166080819 /nfs/dbraw/zinc/08/08/19/166080819.db2.gz HUDIUJPKXGYSLD-UHFFFAOYSA-N 0 0 156.188 2.063 10 0 AEAERN C1=Cc2occc2CC1 39206188 166080908 /nfs/dbraw/zinc/08/09/08/166080908.db2.gz NTQWXNYJRFBOBC-UHFFFAOYSA-N 0 0 120.151 2.239 10 0 AEAERN C1=Cn2c(nc3ccccc32)CC1 45238316 166081008 /nfs/dbraw/zinc/08/10/08/166081008.db2.gz FGTGDGPFFHBFTL-UHFFFAOYSA-N 0 0 170.215 2.453 10 0 AEAERN C1=Cc2cnoc2N=CS1 39112881 166081118 /nfs/dbraw/zinc/08/11/18/166081118.db2.gz KAUHWLTUPGNARS-UHFFFAOYSA-N 0 0 152.178 2.052 10 0 AEAERN C1=Cn2c(nc3ccccc32)CN=C1 95923113 166081120 /nfs/dbraw/zinc/08/11/20/166081120.db2.gz GQFIVFYRWLJHQB-UHFFFAOYSA-N 0 0 183.214 2.091 10 0 AEAERN C1=NCCn2ccc3cccc1c32 3628416 166081155 /nfs/dbraw/zinc/08/11/55/166081155.db2.gz OTPGTNWGTHRYKW-UHFFFAOYSA-N 0 0 170.215 2.074 10 0 AEAERN C1=NC2=Cc3ccccc3CC2=N1 95922994 166081211 /nfs/dbraw/zinc/08/12/11/166081211.db2.gz SZNCTJHKIBEVQU-UHFFFAOYSA-N 0 0 168.199 2.067 10 0 AEAERN c1cc2cc3cc[nH]c3cc2[nH]1 211687961 166081235 /nfs/dbraw/zinc/08/12/35/166081235.db2.gz HWRBKXSWWGTFPO-UHFFFAOYSA-N 0 0 156.188 2.203 10 0 AEAERN C1=Cc2nc3ccccc3n2C1 95923123 166081307 /nfs/dbraw/zinc/08/13/07/166081307.db2.gz JABFZMOTTPAIOT-UHFFFAOYSA-N 0 0 156.188 2.063 10 0 AEAERN C1=NCn2c1cc1ccccc12 39095534 166081312 /nfs/dbraw/zinc/08/13/12/166081312.db2.gz BSZGFXNZRDBQDL-UHFFFAOYSA-N 0 0 156.188 2.031 10 0 AEAERN C1=Cc2nc3c(nc2CC1)CCCC3 15274339 166081377 /nfs/dbraw/zinc/08/13/77/166081377.db2.gz LEBZVNAEKXAOKR-UHFFFAOYSA-N 0 0 186.258 2.315 10 0 AEAERN C1=Cc2coc3nccc1c23 45787102 166081497 /nfs/dbraw/zinc/08/14/97/166081497.db2.gz BZMKYFXVRCDOEC-UHFFFAOYSA-N 0 0 143.145 2.312 10 0 AEAERN C1=Cn2c(nc3ccccc32)COC1 95923117 166081524 /nfs/dbraw/zinc/08/15/24/166081524.db2.gz IWMBZSSBMAYIHZ-UHFFFAOYSA-N 0 0 186.214 2.037 10 0 AEAERN c1ccc2c(c1)cc1[nH]ccn12 39095533 166081575 /nfs/dbraw/zinc/08/15/75/166081575.db2.gz GVHYMQLWELAZIT-UHFFFAOYSA-N 0 0 156.188 2.357 10 0 AEAERN C1=Cc2nc3ccccc3n2CN=C1 95923137 166081866 /nfs/dbraw/zinc/08/18/66/166081866.db2.gz PEAFIEXSTKYFNO-UHFFFAOYSA-N 0 0 183.214 2.091 10 0 AEAERN C1CC(Cc2noc(C3CC3)n2)C1 307666785 166083400 /nfs/dbraw/zinc/08/34/00/166083400.db2.gz NGUOZQXSNCMRQM-UHFFFAOYSA-N 0 0 178.235 2.290 10 0 AEAERN C1=Nc2cn3ccsc1c2-3 39079906 166083468 /nfs/dbraw/zinc/08/34/68/166083468.db2.gz BOQJJWFBWUIPMA-UHFFFAOYSA-N 0 0 148.190 2.041 10 0 AEAERN C1=Nn2c(nc3ccccc32)CS1 95932752 166083471 /nfs/dbraw/zinc/08/34/71/166083471.db2.gz WTJWMNPAJLGELZ-UHFFFAOYSA-N 0 0 189.243 2.075 10 0 AEAERN C1C2C[C@@H]3C4OC5C[C@H]3C1[C@H](C5)[C@H]4C2 100014000 166084063 /nfs/dbraw/zinc/08/40/63/166084063.db2.gz NSPQAAVOTSBTKB-ILQQGBIOSA-N 0 0 190.286 2.456 10 0 AEAERN C1CC(Cc2nc(C3CC3)no2)C1 307409227 166084113 /nfs/dbraw/zinc/08/41/13/166084113.db2.gz FMHOPGUXXYNPDA-UHFFFAOYSA-N 0 0 178.235 2.290 10 0 AEAERN C1=c2c(ccc3c2nc2cccn23)N=N1 95936252 166084305 /nfs/dbraw/zinc/08/43/05/166084305.db2.gz PTZOXGJYEWGNJF-UHFFFAOYSA-N 0 0 194.197 2.042 10 0 AEAERN C1=NCc2c(sc3c2CCCC3)N1 36258973 166084314 /nfs/dbraw/zinc/08/43/14/166084314.db2.gz BWHSRLCLYNYUJO-UHFFFAOYSA-N 0 0 192.287 2.390 10 0 AEAERN C1CC2=NO[C@@H]3CCC[C@]23C1 39111485 166084975 /nfs/dbraw/zinc/08/49/75/166084975.db2.gz LKFNPAXIEOIBDS-RKDXNWHRSA-N 0 0 151.209 2.095 10 0 AEAERN C1CC1Cc1noc([C@H]2CC23CC3)n1 334996116 166085065 /nfs/dbraw/zinc/08/50/65/166085065.db2.gz UZVADKFLXWCNQF-MRVPVSSYSA-N 0 0 190.246 2.290 10 0 AEAERN C1CC(SCC2CC2)CCO1 306427654 166085084 /nfs/dbraw/zinc/08/50/84/166085084.db2.gz JHCXMQWLEWUEMV-UHFFFAOYSA-N 0 0 172.293 2.309 10 0 AEAERN C1CC2=NO[C@H]3CCC[C@@]23C1 100274370 166085730 /nfs/dbraw/zinc/08/57/30/166085730.db2.gz LKFNPAXIEOIBDS-IUCAKERBSA-N 0 0 151.209 2.095 10 0 AEAERN C1CC2=NO[C@H]3CCC[C@]23C1 39111486 166085947 /nfs/dbraw/zinc/08/59/47/166085947.db2.gz LKFNPAXIEOIBDS-DTWKUNHWSA-N 0 0 151.209 2.095 10 0 AEAERN C1CC(SC[C@H]2CCOC2)C1 335228714 166085953 /nfs/dbraw/zinc/08/59/53/166085953.db2.gz AGGZWUGSIZMEPH-QMMMGPOBSA-N 0 0 172.293 2.309 10 0 AEAERN C1CC(SC[C@@H]2CCOC2)C1 335228713 166085957 /nfs/dbraw/zinc/08/59/57/166085957.db2.gz AGGZWUGSIZMEPH-MRVPVSSYSA-N 0 0 172.293 2.309 10 0 AEAERN C1CC1Cc1noc([C@@H]2CC23CC3)n1 334996117 166085999 /nfs/dbraw/zinc/08/59/99/166085999.db2.gz UZVADKFLXWCNQF-QMMMGPOBSA-N 0 0 190.246 2.290 10 0 AEAERN C1CC2=NO[C@@H]3CCC[C@@]23C1 100274367 166086026 /nfs/dbraw/zinc/08/60/26/166086026.db2.gz LKFNPAXIEOIBDS-BDAKNGLRSA-N 0 0 151.209 2.095 10 0 AEAERN C1CC1c1noc([C@@H]2CC23CC3)n1 334995702 166086222 /nfs/dbraw/zinc/08/62/22/166086222.db2.gz SEVLGLLDDLWTER-ZETCQYMHSA-N 0 0 176.219 2.215 10 0 AEAERN C1CC1c1noc([C@H]2CC23CC3)n1 334995700 166086245 /nfs/dbraw/zinc/08/62/45/166086245.db2.gz SEVLGLLDDLWTER-SSDOTTSWSA-N 0 0 176.219 2.215 10 0 AEAERN C1CC(SC2CCOCC2)C1 306755906 166086412 /nfs/dbraw/zinc/08/64/12/166086412.db2.gz PEVOABUJZINELJ-UHFFFAOYSA-N 0 0 172.293 2.451 10 0 AEAERN C1CCC(C2OCCCO2)CC1 39120263 166087010 /nfs/dbraw/zinc/08/70/10/166087010.db2.gz QRAFTXVGPHGUNK-UHFFFAOYSA-N 0 0 170.252 2.330 10 0 AEAERN C1CCC(CN2CCCO2)CC1 306260327 166087852 /nfs/dbraw/zinc/08/78/52/166087852.db2.gz KDIDKAUWZQRTCY-UHFFFAOYSA-N 0 0 169.268 2.204 10 0 AEAERN C1CCC(CCN2CCCO2)C1 306228643 166088242 /nfs/dbraw/zinc/08/82/42/166088242.db2.gz INLDKJYAKUMGNA-UHFFFAOYSA-N 0 0 169.268 2.204 10 0 AEAERN C1CCC(Cc2nc(C3CC3)n[nH]2)C1 41057539 166088603 /nfs/dbraw/zinc/08/86/03/166088603.db2.gz LWWJXNJVKBKWGT-UHFFFAOYSA-N 0 0 191.278 2.415 10 0 AEAERN C1CCC2(CC1)[NH2+]CCCS2 1596466 166088801 /nfs/dbraw/zinc/08/88/01/166088801.db2.gz MYFCZPVVIDYTAA-UHFFFAOYSA-N 0 0 171.309 2.373 10 0 AEAERN C1CCC2(CC1)NN2C1CCCC1 39111982 166089007 /nfs/dbraw/zinc/08/90/07/166089007.db2.gz FTQAMIBSZDXVJZ-UHFFFAOYSA-N 0 0 180.295 2.410 10 0 AEAERN C1CCC(c2nnc(C3CC3)[nH]2)C1 41057535 166089450 /nfs/dbraw/zinc/08/94/50/166089450.db2.gz NBKZWKGRZKTCQN-UHFFFAOYSA-N 0 0 177.251 2.340 10 0 AEAERN C1CCC(c2n[nH]c(CC3CC3)n2)C1 49731371 166089463 /nfs/dbraw/zinc/08/94/63/166089463.db2.gz YFCLBIOGTJDEAG-UHFFFAOYSA-N 0 0 191.278 2.415 10 0 AEAERN C1CCC2(CC1)CCO2 1684186 166089718 /nfs/dbraw/zinc/08/97/18/166089718.db2.gz LXIMXSJHBZZOKU-UHFFFAOYSA-N 0 0 126.199 2.110 10 0 AEAERN C1CCC2(CC1)CS2 38233847 166089746 /nfs/dbraw/zinc/08/97/46/166089746.db2.gz FGDWTXGHCTZSMQ-UHFFFAOYSA-N 0 0 128.240 2.436 10 0 AEAERN C1CCCC2(CC1)COCO2 90755231 166089903 /nfs/dbraw/zinc/08/99/03/166089903.db2.gz KUQVHJHEKRZXBA-UHFFFAOYSA-N 0 0 156.225 2.084 10 0 AEAERN C1CCC2(CC1)OCCCCO2 1847636 166090037 /nfs/dbraw/zinc/09/00/37/166090037.db2.gz GGKFOZUGYBUSAD-UHFFFAOYSA-N 0 0 170.252 2.474 10 0 AEAERN C1CCC(c2noc3c2CCN3)C1 3704145 166090222 /nfs/dbraw/zinc/09/02/22/166090222.db2.gz FIWGSLBKBMXDDJ-UHFFFAOYSA-N 0 0 178.235 2.300 10 0 AEAERN C1CC[C@@H](OC2CCCC2)OC1 39111840 166090973 /nfs/dbraw/zinc/09/09/73/166090973.db2.gz WZXLHTGRNRKWOY-SNVBAGLBSA-N 0 0 170.252 2.472 10 0 AEAERN C1CCC[C@H]2N=C2CC1 96332162 166091137 /nfs/dbraw/zinc/09/11/37/166091137.db2.gz SUGPTSHNUYZCSW-SSDOTTSWSA-N 0 0 123.199 2.164 10 0 AEAERN C1CCC[C@@H]2N=C2CC1 96332163 166091828 /nfs/dbraw/zinc/09/18/28/166091828.db2.gz SUGPTSHNUYZCSW-ZETCQYMHSA-N 0 0 123.199 2.164 10 0 AEAERN C1CC[C@]23CC[C@@H]2CO[C@H]3C1 226454951 166093806 /nfs/dbraw/zinc/09/38/06/166093806.db2.gz KBYFOSKPGQQDDJ-UTLUCORTSA-N 0 0 152.237 2.356 10 0 AEAERN C1CCc2nc3c(n2CC1)CCC3 40539104 166094279 /nfs/dbraw/zinc/09/42/79/166094279.db2.gz QGJKFPOYCXUPOF-UHFFFAOYSA-N 0 0 176.263 2.098 10 0 AEAERN C1CC[C@H](OC2CCCC2)OC1 39111841 166094752 /nfs/dbraw/zinc/09/47/52/166094752.db2.gz WZXLHTGRNRKWOY-JTQLQIEISA-N 0 0 170.252 2.472 10 0 AEAERN C1CC[C@]23CC[C@@H]2CO[C@@H]3C1 104845593 166094990 /nfs/dbraw/zinc/09/49/90/166094990.db2.gz KBYFOSKPGQQDDJ-BBBLOLIVSA-N 0 0 152.237 2.356 10 0 AEAERN CCc1cnccc1[C@@H](O)C1CC1 132867220 343906229 /nfs/dbraw/zinc/90/62/29/343906229.db2.gz IXCRNIQCVSRHAV-NSHDSACASA-N 0 0 177.247 2.087 10 0 AEAERN CCc1cnccc1[C@H](O)C1CC1 132867046 343906249 /nfs/dbraw/zinc/90/62/49/343906249.db2.gz IXCRNIQCVSRHAV-LLVKDONJSA-N 0 0 177.247 2.087 10 0 AEAERN C1Cc2nc(NC3CC3)sc2C1 19413981 166110062 /nfs/dbraw/zinc/11/00/62/166110062.db2.gz OKTPGISEMACYHJ-UHFFFAOYSA-N 0 0 180.276 2.206 10 0 AEAERN CCON[C@H]1CSCC(C)(C)C1 133054027 343910912 /nfs/dbraw/zinc/91/09/12/343910912.db2.gz ISAFRDGVQADCJP-MRVPVSSYSA-N 0 0 189.324 2.059 10 0 AEAERN CCON[C@@H]1CSCCC1(C)C 133042525 343910915 /nfs/dbraw/zinc/91/09/15/343910915.db2.gz DQRJYZZVTXEWGT-MRVPVSSYSA-N 0 0 189.324 2.059 10 0 AEAERN CCONC1CCC(C)(C)CC1 133081004 343911458 /nfs/dbraw/zinc/91/14/58/343911458.db2.gz OJHVJLDIZUIZMW-UHFFFAOYSA-N 0 0 171.284 2.496 10 0 AEAERN CCONC1CCCCCC1 133060330 343911462 /nfs/dbraw/zinc/91/14/62/343911462.db2.gz CMFIIGUGPFWFAT-UHFFFAOYSA-N 0 0 157.257 2.250 10 0 AEAERN CCCC=CC(C)=O 100216363 166138721 /nfs/dbraw/zinc/13/87/21/166138721.db2.gz UYHMBFXYBBNQPH-AATRIKPKSA-N 0 0 112.172 2.414 10 0 AEAERN C=C(Cl)c1nc2cc(N)ccc2[nH]1 95923289 166138760 /nfs/dbraw/zinc/13/87/60/166138760.db2.gz KDDMIRQRZBNUFE-UHFFFAOYSA-N 0 0 193.637 2.355 10 0 AEAERN CC(=O)OCc1ccccc1 38233980 166138832 /nfs/dbraw/zinc/13/88/32/166138832.db2.gz MTONFACBKCHONM-UHFFFAOYSA-N 0 0 150.177 2.232 10 0 AEAERN C=C(NC(C)=O)c1ccc(C)c(C)c1 39126481 166138874 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/nfs/dbraw/zinc/91/04/96/166910496.db2.gz RDNDDHLXKBWLHJ-UHFFFAOYSA-N 0 0 195.266 2.006 10 0 AEAERN CCCCO[C@H]1C[C@H](C)CC[C@@H]1O 44235363 166910783 /nfs/dbraw/zinc/91/07/83/166910783.db2.gz PDBXGURMNGMRJD-VWYCJHECSA-N 0 0 186.295 2.353 10 0 AEAERN CCCCOc1ncc(N)cc1C 52813724 166910832 /nfs/dbraw/zinc/91/08/32/166910832.db2.gz SPWJZIUBUSDTPY-UHFFFAOYSA-N 0 0 180.251 2.151 10 0 AEAERN CCCCSC[C@H](O)CC 37697323 166911229 /nfs/dbraw/zinc/91/12/29/166911229.db2.gz PWWJDZWTTBGECD-MRVPVSSYSA-N 0 0 162.298 2.291 10 0 AEAERN CCCCSCC(=O)CC 50181974 166911894 /nfs/dbraw/zinc/91/18/94/166911894.db2.gz CTEPXXAAQFEXPW-UHFFFAOYSA-N 0 0 160.282 2.499 10 0 AEAERN CCCCSC[C@@H](O)CC 37697324 166912328 /nfs/dbraw/zinc/91/23/28/166912328.db2.gz PWWJDZWTTBGECD-QMMMGPOBSA-N 0 0 162.298 2.291 10 0 AEAERN CCCCS[C@H]1CCC[C@H]1O 37697328 166912372 /nfs/dbraw/zinc/91/23/72/166912372.db2.gz JSBLEUZHJVUSCW-BDAKNGLRSA-N 0 0 174.309 2.433 10 0 AEAERN CCCC[C@@H](C)Nc1ncccn1 50889531 166914209 /nfs/dbraw/zinc/91/42/09/166914209.db2.gz AVGPERPTIVUKBR-SECBINFHSA-N 0 0 179.267 2.467 10 0 AEAERN CCCC[C@@H](C)n1ccc(N)n1 67799526 166914760 /nfs/dbraw/zinc/91/47/60/166914760.db2.gz GLJKYUNGACPJFQ-MRVPVSSYSA-N 0 0 167.256 2.217 10 0 AEAERN CCCC[C@@H](CC)c1nnc(CN)o1 50283456 166917922 /nfs/dbraw/zinc/91/79/22/166917922.db2.gz GHDZUFMEOVIPGY-MRVPVSSYSA-N 0 0 197.282 2.212 10 0 AEAERN CCCC[C@@H]1CCCCN1O 36466308 166919080 /nfs/dbraw/zinc/91/90/80/166919080.db2.gz VWOVCQILBIDECV-SECBINFHSA-N 0 0 157.257 2.420 10 0 AEAERN CCCC[C@@H]([NH2+][C@H](C)CC)C(=O)[O-] 41053459 166920038 /nfs/dbraw/zinc/92/00/38/166920038.db2.gz CVVCMKZDEWOXCI-RKDXNWHRSA-N 0 0 187.283 2.018 10 0 AEAERN CCCC[C@@H]1C[C@H]1C(C)=O 62715425 166921360 /nfs/dbraw/zinc/92/13/60/166921360.db2.gz JCSZJNGVGYDSCV-BDAKNGLRSA-N 0 0 140.226 2.402 10 0 AEAERN CCCC[C@@H]1C[C@](C)(O)C[C@@H](C)O1 33607900 166922362 /nfs/dbraw/zinc/92/23/62/166922362.db2.gz GLZDYSFULFXMRT-GMTAPVOTSA-N 0 0 186.295 2.495 10 0 AEAERN CCCC[C@@H]1SC[C@@H](CO)S1 136943665 166922699 /nfs/dbraw/zinc/92/26/99/166922699.db2.gz HBVAOANVIFYOGE-HTQZYQBOSA-N 0 0 192.349 2.344 10 0 AEAERN CCCC[C@H](CC)C[C@@H]([NH3+])C(=O)[O-] 43455168 166923772 /nfs/dbraw/zinc/92/37/72/166923772.db2.gz HIPFDSJQVKURRQ-DTWKUNHWSA-N 0 0 187.283 2.005 10 0 AEAERN CCCC[C@H](CC)c1nc(N)n[nH]1 6204172 166923986 /nfs/dbraw/zinc/92/39/86/166923986.db2.gz FROYMUGXDGAIOC-ZETCQYMHSA-N 0 0 182.271 2.071 10 0 AEAERN CCCC[C@H](C)OC(C)=O 5822012 166924941 /nfs/dbraw/zinc/92/49/41/166924941.db2.gz RXTNIJMLAQNTEG-ZETCQYMHSA-N 0 0 144.214 2.128 10 0 AEAERN CCCC[C@H](O)CC[C@@H]1CCCO1 37625446 166925646 /nfs/dbraw/zinc/92/56/46/166925646.db2.gz BMUKXIDJULSYDH-QWRGUYRKSA-N 0 0 186.295 2.497 10 0 AEAERN CCCC[C@H]([NH2+][C@H](C)CC)C(=O)[O-] 41053458 166927143 /nfs/dbraw/zinc/92/71/43/166927143.db2.gz CVVCMKZDEWOXCI-BDAKNGLRSA-N 0 0 187.283 2.018 10 0 AEAERN CCCC[C@H](O)[C@H]1CCCC[C@@H]1O 38636370 166928260 /nfs/dbraw/zinc/92/82/60/166928260.db2.gz 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168.240 2.162 10 0 AEAERN CCCCc1nc2cccnc2[nH]1 39233925 166932294 /nfs/dbraw/zinc/93/22/94/166932294.db2.gz HLVIJINGDIXEEV-UHFFFAOYSA-N 0 0 175.235 2.301 10 0 AEAERN CCCCc1nc2ncc(N)cc2o1 74327655 166932616 /nfs/dbraw/zinc/93/26/16/166932616.db2.gz VXWXRSDWDQMBJV-UHFFFAOYSA-N 0 0 191.234 2.148 10 0 AEAERN CCCCc1cnc(C)nc1 39053021 166933045 /nfs/dbraw/zinc/93/30/45/166933045.db2.gz FFCLNNXINWIMGR-UHFFFAOYSA-N 0 0 150.225 2.128 10 0 AEAERN CCCCc1nc(N)cc(Cl)n1 83441908 166933404 /nfs/dbraw/zinc/93/34/04/166933404.db2.gz BFPIUQGESPKPRC-UHFFFAOYSA-N 0 0 185.658 2.055 10 0 AEAERN CCCCc1ccc2oc(=O)[nH]c2c1 62521072 166933577 /nfs/dbraw/zinc/93/35/77/166933577.db2.gz QWTVGWRGUKXPDG-UHFFFAOYSA-N 0 0 191.230 2.464 10 0 AEAERN CCCCc1ncc(C)nc1C 2516017 166933810 /nfs/dbraw/zinc/93/38/10/166933810.db2.gz CSGGOEBNSRAFPU-UHFFFAOYSA-N 0 0 164.252 2.436 10 0 AEAERN CCCCn1ncc(N)c1C1CC1 20314691 166934548 /nfs/dbraw/zinc/93/45/48/166934548.db2.gz JLWJUVFKRJDNKQ-UHFFFAOYSA-N 0 0 179.267 2.143 10 0 AEAERN 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2.423 10 0 AEAERN CCCc1nc(CC)c(N)s1 50308360 167111133 /nfs/dbraw/zinc/11/11/33/167111133.db2.gz XTNQWFFWDGNUSL-UHFFFAOYSA-N 0 0 170.281 2.240 10 0 AEAERN CCCc1nc(N)cc(C(C)(C)C)n1 44262719 167111236 /nfs/dbraw/zinc/11/12/36/167111236.db2.gz BRERIANFEWFHKZ-UHFFFAOYSA-N 0 0 193.294 2.309 10 0 AEAERN CCCc1nc(C)c([C@@H](C)O)s1 44594167 167111253 /nfs/dbraw/zinc/11/12/53/167111253.db2.gz OEMXCATYSZJJDT-SSDOTTSWSA-N 0 0 185.292 2.457 10 0 AEAERN CC[C@@H]1CCC[C@@H]1Nc1ccnn1C 134294865 343939189 /nfs/dbraw/zinc/93/91/89/343939189.db2.gz VVVDZRGDQUTVDD-ZJUUUORDSA-N 0 0 193.294 2.411 10 0 AEAERN CCCc1nc(C)c(C)o1 5844826 167111471 /nfs/dbraw/zinc/11/14/71/167111471.db2.gz SDRFPOFMNGISHT-UHFFFAOYSA-N 0 0 139.198 2.244 10 0 endogenous,in-man AEAERN CCCc1nc(N)c2ccccc2n1 72192257 167111642 /nfs/dbraw/zinc/11/16/42/167111642.db2.gz UUEJIFURECMGDY-UHFFFAOYSA-N 0 0 187.246 2.165 10 0 AEAERN CCCc1nc2cc(O)ccc2[nH]1 36197894 167112050 /nfs/dbraw/zinc/11/20/50/167112050.db2.gz HJUSCDSOWPCMJD-UHFFFAOYSA-N 0 0 176.219 2.221 10 0 AEAERN CCCc1nc([C@@H]2C[C@@H]2C)no1 307608015 167112079 /nfs/dbraw/zinc/11/20/79/167112079.db2.gz DJKNFTZMGHWXBS-NKWVEPMBSA-N 0 0 166.224 2.146 10 0 AEAERN CCCc1nc2c(N)cccc2[nH]1 36281866 167112159 /nfs/dbraw/zinc/11/21/59/167112159.db2.gz POMAPWKXZDIJRT-UHFFFAOYSA-N 0 0 175.235 2.098 10 0 AEAERN CCCc1nc2c(C)ccnc2[nH]1 34435464 167112346 /nfs/dbraw/zinc/11/23/46/167112346.db2.gz XWGMKQVIGMSSSZ-UHFFFAOYSA-N 0 0 175.235 2.219 10 0 AEAERN CCCc1nc[nH]c1CCC 81135728 167112359 /nfs/dbraw/zinc/11/23/59/167112359.db2.gz NYBUEQZKBJIDFL-UHFFFAOYSA-N 0 0 152.241 2.315 10 0 AEAERN CCCc1nc2c(nc1C)CCC2 45814381 167112405 /nfs/dbraw/zinc/11/24/05/167112405.db2.gz KPCPUDJTMLNINI-UHFFFAOYSA-N 0 0 176.263 2.226 10 0 AEAERN CCCc1nc2c(s1)[C@H](O)CCC2 50330862 167112407 /nfs/dbraw/zinc/11/24/07/167112407.db2.gz JFZXZTYSMLPUFT-MRVPVSSYSA-N 0 0 197.303 2.465 10 0 AEAERN CCCc1nc2cc(C)cnc2[nH]1 57765190 167112488 /nfs/dbraw/zinc/11/24/88/167112488.db2.gz UUHOFBXCCOHMBQ-UHFFFAOYSA-N 0 0 175.235 2.219 10 0 AEAERN CCCc1nc2c(O)cccc2[nH]1 82226703 167112534 /nfs/dbraw/zinc/11/25/34/167112534.db2.gz VWHZGBJBYSIHNO-UHFFFAOYSA-N 0 0 176.219 2.221 10 0 AEAERN CCCc1nc2cc(C)cnc2o1 74329058 167112548 /nfs/dbraw/zinc/11/25/48/167112548.db2.gz IQTOXCMNRWHXDG-UHFFFAOYSA-N 0 0 176.219 2.484 10 0 AEAERN CCCc1nc2cc(CO)ccc2[nH]1 59745341 167112576 /nfs/dbraw/zinc/11/25/76/167112576.db2.gz FWOQZRBKEYHZRI-UHFFFAOYSA-N 0 0 190.246 2.008 10 0 AEAERN CCCc1nc2cc(C=O)ccc2[nH]1 45238528 167112631 /nfs/dbraw/zinc/11/26/31/167112631.db2.gz QKVRNJQCEZHHOU-UHFFFAOYSA-N 0 0 188.230 2.328 10 0 AEAERN CCCc1nc2cc(F)cnc2[nH]1 74326910 167112705 /nfs/dbraw/zinc/11/27/05/167112705.db2.gz ZXHNGDWMULIFLX-UHFFFAOYSA-N 0 0 179.198 2.050 10 0 AEAERN CCCc1nc2cccnc2o1 74328066 167112997 /nfs/dbraw/zinc/11/29/97/167112997.db2.gz IVKZYYJGAZQLKO-UHFFFAOYSA-N 0 0 162.192 2.175 10 0 AEAERN CCCc1nc2cc(CO)ccc2o1 75411341 167113228 /nfs/dbraw/zinc/11/32/28/167113228.db2.gz AHFZTYVIWAOVOI-UHFFFAOYSA-N 0 0 191.230 2.273 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191.230 2.273 10 0 AEAERN CCCc1nc2c(s1)[C@@H](O)CCC2 50330863 167113697 /nfs/dbraw/zinc/11/36/97/167113697.db2.gz JFZXZTYSMLPUFT-QMMMGPOBSA-N 0 0 197.303 2.465 10 0 AEAERN CCCc1nc2c(N)cccc2o1 71477709 167113710 /nfs/dbraw/zinc/11/37/10/167113710.db2.gz DGOBIVDEASGEHO-UHFFFAOYSA-N 0 0 176.219 2.363 10 0 AEAERN CCCc1noc([C@@H]2CCSC2)n1 306336538 167114143 /nfs/dbraw/zinc/11/41/43/167114143.db2.gz GSLUSICGRYMCPG-SSDOTTSWSA-N 0 0 198.291 2.243 10 0 AEAERN CCCc1scnc1C(=O)OCC 149080713 167114148 /nfs/dbraw/zinc/11/41/48/167114148.db2.gz MWHKRSUZUQSRAW-UHFFFAOYSA-N 0 0 199.275 2.272 10 0 AEAERN CCCc1noc(N[C@H](C)CC)n1 57353944 167114230 /nfs/dbraw/zinc/11/42/30/167114230.db2.gz WTBYPUXKACQLIZ-SSDOTTSWSA-N 0 0 183.255 2.233 10 0 AEAERN CCCc1occc1C(=O)N1CCC1 334229746 167114266 /nfs/dbraw/zinc/11/42/66/167114266.db2.gz ISRKGXTWEGQCBG-UHFFFAOYSA-N 0 0 193.246 2.078 10 0 AEAERN CCCc1noc(-c2cscn2)n1 306710668 167114293 /nfs/dbraw/zinc/11/42/93/167114293.db2.gz RGJLKKCAHABPRE-UHFFFAOYSA-N 0 0 195.247 2.146 10 0 AEAERN CCCc1noc(NCC(C)C)n1 53750955 167114347 /nfs/dbraw/zinc/11/43/47/167114347.db2.gz GVELLGPYTUZHHG-UHFFFAOYSA-N 0 0 183.255 2.090 10 0 AEAERN CCCn1c(=O)[nH]c2cc(C)ccc21 95924133 167114357 /nfs/dbraw/zinc/11/43/57/167114357.db2.gz VZSCKXYQEZEJPN-UHFFFAOYSA-N 0 0 190.246 2.048 10 0 AEAERN CCCc1noc([C@@H](N)[C@H](C)CC)n1 36915755 167114363 /nfs/dbraw/zinc/11/43/63/167114363.db2.gz XXUULFGSDZDUPZ-APPZFPTMSA-N 0 0 197.282 2.068 10 0 AEAERN CCCc1noc([C@@H](N)[C@@H](C)CC)n1 36915753 167114554 /nfs/dbraw/zinc/11/45/54/167114554.db2.gz XXUULFGSDZDUPZ-CBAPKCEASA-N 0 0 197.282 2.068 10 0 AEAERN CCCc1noc(C2(C)CCC2)n1 307716114 167114613 /nfs/dbraw/zinc/11/46/13/167114613.db2.gz HBVAWTLYAFFDDS-UHFFFAOYSA-N 0 0 180.251 2.464 10 0 AEAERN CCCc1noc([C@H]2CCSC2)n1 306336539 167114620 /nfs/dbraw/zinc/11/46/20/167114620.db2.gz GSLUSICGRYMCPG-ZETCQYMHSA-N 0 0 198.291 2.243 10 0 AEAERN CCCc1noc(N)c1CC(C)C 43375914 167114677 /nfs/dbraw/zinc/11/46/77/167114677.db2.gz LNBPKKWIYWAPNF-UHFFFAOYSA-N 0 0 182.267 2.408 10 0 AEAERN CCCc1noc([C@@H](N)CC(C)C)n1 36915778 167114761 /nfs/dbraw/zinc/11/47/61/167114761.db2.gz DKKSIBFJXKWEGM-QMMMGPOBSA-N 0 0 197.282 2.068 10 0 AEAERN CCCc1noc2cc(O)ccc12 75567318 167115080 /nfs/dbraw/zinc/11/50/80/167115080.db2.gz UKXYPGJHIYSLML-UHFFFAOYSA-N 0 0 177.203 2.486 10 0 AEAERN CCCc1sccc1N 39118688 167115487 /nfs/dbraw/zinc/11/54/87/167115487.db2.gz BOILNFHRONPDKL-UHFFFAOYSA-N 0 0 141.239 2.283 10 0 AEAERN CCCc1noc(N[C@@H](C)CC)n1 57353943 167115663 /nfs/dbraw/zinc/11/56/63/167115663.db2.gz WTBYPUXKACQLIZ-ZETCQYMHSA-N 0 0 183.255 2.233 10 0 AEAERN CCCc1noc(NC(C)(C)C)n1 53750808 167115746 /nfs/dbraw/zinc/11/57/46/167115746.db2.gz JMGASAJZUGFUAI-UHFFFAOYSA-N 0 0 183.255 2.233 10 0 AEAERN CC[C@H](C)[C@H](C)Nc1ccnn1C 134298082 343939209 /nfs/dbraw/zinc/93/92/09/343939209.db2.gz DAUBJJSIHSHOIN-IUCAKERBSA-N 0 0 181.283 2.267 10 0 AEAERN CCCc1noc(-c2ccc[nH]2)n1 45893723 167115874 /nfs/dbraw/zinc/11/58/74/167115874.db2.gz ZTJHEGPILOBKOL-UHFFFAOYSA-N 0 0 177.207 2.017 10 0 AEAERN CCCc1noc([C@@H](N)C(C)(C)C)n1 36915785 167115880 /nfs/dbraw/zinc/11/58/80/167115880.db2.gz QXUUBUXWZJPNIM-MRVPVSSYSA-N 0 0 197.282 2.068 10 0 AEAERN CCCc1noc(-c2ccoc2)n1 306402303 167115959 /nfs/dbraw/zinc/11/59/59/167115959.db2.gz QRRICBXGNAEULV-UHFFFAOYSA-N 0 0 178.191 2.282 10 0 AEAERN CCCc1noc(-c2cncs2)n1 306712808 167116006 /nfs/dbraw/zinc/11/60/06/167116006.db2.gz UPYZSMQQJXQPCZ-UHFFFAOYSA-N 0 0 195.247 2.146 10 0 AEAERN CCCc1sc(C(=O)OC)cc1N 75601365 167116352 /nfs/dbraw/zinc/11/63/52/167116352.db2.gz IJUNHJZLLFDOHN-UHFFFAOYSA-N 0 0 199.275 2.069 10 0 AEAERN CCCc1noc(-c2ccco2)n1 307507129 167116439 /nfs/dbraw/zinc/11/64/39/167116439.db2.gz YXSCAFKAJNGFKY-UHFFFAOYSA-N 0 0 178.191 2.282 10 0 AEAERN CCCc1scc(C(=O)OC)c1N 39473769 167116446 /nfs/dbraw/zinc/11/64/46/167116446.db2.gz OEEDGYIGRJXIBU-UHFFFAOYSA-N 0 0 199.275 2.069 10 0 AEAERN CCCn1c(=O)sc2ccccc21 39842106 167116543 /nfs/dbraw/zinc/11/65/43/167116543.db2.gz VGSHZCUCAZBEPV-UHFFFAOYSA-N 0 0 193.271 2.473 10 0 AEAERN CCCc1noc(C2CC=CC2)n1 306418996 167116592 /nfs/dbraw/zinc/11/65/92/167116592.db2.gz WGRJFENKNZFQFE-UHFFFAOYSA-N 0 0 178.235 2.456 10 0 AEAERN CCCn1c(=O)ccc2ccccc21 32188800 167116595 /nfs/dbraw/zinc/11/65/95/167116595.db2.gz XTMDFKSYHRPNQF-UHFFFAOYSA-N 0 0 187.242 2.412 10 0 AEAERN CCCc1noc(C(C)(C)F)n1 306707239 167116662 /nfs/dbraw/zinc/11/66/62/167116662.db2.gz JPHHKAFENPRUAR-UHFFFAOYSA-N 0 0 172.203 2.227 10 0 AEAERN CCCc1noc(C=C(C)C)n1 306600154 167116664 /nfs/dbraw/zinc/11/66/64/167116664.db2.gz ITUWUIOFUNJRBS-UHFFFAOYSA-N 0 0 166.224 2.445 10 0 AEAERN CCCc1noc(C2(C)CC2)n1 306288762 167116878 /nfs/dbraw/zinc/11/68/78/167116878.db2.gz MZIMDZNBDQXOKW-UHFFFAOYSA-N 0 0 166.224 2.074 10 0 AEAERN CCCn1cc([C@H](O)CC(C)C)cn1 43468492 167117502 /nfs/dbraw/zinc/11/75/02/167117502.db2.gz ZPSGYYYLBVPOKO-LLVKDONJSA-N 0 0 196.294 2.373 10 0 AEAERN CCCn1cc(C(=O)C(C)C)cn1 43468143 167117617 /nfs/dbraw/zinc/11/76/17/167117617.db2.gz CNDIJVZMEXSVKZ-UHFFFAOYSA-N 0 0 180.251 2.132 10 0 AEAERN CCCn1cc(C(O)(CC)CC)cn1 43467525 167118016 /nfs/dbraw/zinc/11/80/16/167118016.db2.gz ALVXWWDFHOVXCU-UHFFFAOYSA-N 0 0 196.294 2.301 10 0 AEAERN CCCn1cc([C@@H](O)CC(C)C)cn1 43468494 167118105 /nfs/dbraw/zinc/11/81/05/167118105.db2.gz ZPSGYYYLBVPOKO-NSHDSACASA-N 0 0 196.294 2.373 10 0 AEAERN CCCn1cc([C@@H](O)C(C)(C)C)cn1 43468585 167118169 /nfs/dbraw/zinc/11/81/69/167118169.db2.gz VKINUXOMOVXCPV-SNVBAGLBSA-N 0 0 196.294 2.373 10 0 AEAERN CCCn1cc([C@H](O)C(C)(C)C)cn1 43468583 167118682 /nfs/dbraw/zinc/11/86/82/167118682.db2.gz VKINUXOMOVXCPV-JTQLQIEISA-N 0 0 196.294 2.373 10 0 AEAERN CCCn1c(C)nc2c(N)cccc21 36282304 167118707 /nfs/dbraw/zinc/11/87/07/167118707.db2.gz SLZGUQQQAOXWNA-UHFFFAOYSA-N 0 0 189.262 2.337 10 0 AEAERN CCCn1cc([C@](C)(O)C(C)C)cn1 43467531 167118935 /nfs/dbraw/zinc/11/89/35/167118935.db2.gz MRPDZVCHGNEOJY-LLVKDONJSA-N 0 0 196.294 2.157 10 0 AEAERN CCCn1cc(C=O)c(C(C)(C)C)n1 40926823 167118995 /nfs/dbraw/zinc/11/89/95/167118995.db2.gz CMHMWGOSSXLPTG-UHFFFAOYSA-N 0 0 194.278 2.403 10 0 AEAERN CCCn1cc(NC(C)C)ccc1=O 37774527 167119016 /nfs/dbraw/zinc/11/90/16/167119016.db2.gz RKOFBGHVLABMCC-UHFFFAOYSA-N 0 0 194.278 2.079 10 0 AEAERN CCCn1cc(C=O)c2cccnc21 78677118 167119063 /nfs/dbraw/zinc/11/90/63/167119063.db2.gz COLCGGMTQVJTPJ-UHFFFAOYSA-N 0 0 188.230 2.259 10 0 AEAERN CCCn1c(N)nc2c(F)cccc21 37421202 167119106 /nfs/dbraw/zinc/11/91/06/167119106.db2.gz PSFSROZFHOUBQE-UHFFFAOYSA-N 0 0 193.225 2.168 10 0 AEAERN CCCn1c(NC)nc2ccccc21 45238413 167119420 /nfs/dbraw/zinc/11/94/20/167119420.db2.gz MCJPERWPGHTNRP-UHFFFAOYSA-N 0 0 189.262 2.488 10 0 AEAERN CCCn1cc([C@@](C)(O)C(C)C)cn1 43467532 167119445 /nfs/dbraw/zinc/11/94/45/167119445.db2.gz MRPDZVCHGNEOJY-NSHDSACASA-N 0 0 196.294 2.157 10 0 AEAERN CCCn1c(C=O)cc(C(C)=O)c1C 207479937 167119540 /nfs/dbraw/zinc/11/95/40/167119540.db2.gz TVGORBUHWYUKIQ-UHFFFAOYSA-N 0 0 193.246 2.222 10 0 AEAERN CCCn1cc(C=O)c(C(C)C)n1 40926991 167119862 /nfs/dbraw/zinc/11/98/62/167119862.db2.gz KFABIUGXMYDIJF-UHFFFAOYSA-N 0 0 180.251 2.229 10 0 AEAERN CCCn1ccc2c1CCCC2=O 41705150 167120115 /nfs/dbraw/zinc/12/01/15/167120115.db2.gz KRSUFOGNPROPHL-UHFFFAOYSA-N 0 0 177.247 2.417 10 0 AEAERN CCCn1ccc(C(C)=O)c1C 39071807 167120733 /nfs/dbraw/zinc/12/07/33/167120733.db2.gz ZJRRVDRNOOTDGI-UHFFFAOYSA-N 0 0 165.236 2.409 10 0 AEAERN CCCn1ccc2c1CCC[C@@H]2O 41712596 167121056 /nfs/dbraw/zinc/12/10/56/167121056.db2.gz WZRPTDHJBAQIIW-NSHDSACASA-N 0 0 179.263 2.268 10 0 AEAERN CCCn1cnc2ccc(Cl)nc21 96311465 167121127 /nfs/dbraw/zinc/12/11/27/167121127.db2.gz JBZSODXWNYWQKY-UHFFFAOYSA-N 0 0 195.653 2.495 10 0 AEAERN CCCn1nc(C)c(C(C)=O)c1C 26545662 167121179 /nfs/dbraw/zinc/12/11/79/167121179.db2.gz IXYAWIWCTHASPW-UHFFFAOYSA-N 0 0 180.251 2.113 10 0 AEAERN CCCn1nc(-c2ccco2)cc1N 40927410 167121714 /nfs/dbraw/zinc/12/17/14/167121714.db2.gz FKCCXMFLWZWAEE-UHFFFAOYSA-N 0 0 191.234 2.135 10 0 AEAERN CCCn1ccc(C(C)=O)c1 15014475 167122183 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167131367 /nfs/dbraw/zinc/13/13/67/167131367.db2.gz BDTOTSJFHMJKTH-UHFFFAOYSA-N 0 0 193.246 2.073 10 0 AEAERN CCN(C(C)=O)[C@@H](C)c1cccnc1 334341894 167131678 /nfs/dbraw/zinc/13/16/78/167131678.db2.gz PBHURICYFDOVNN-VIFPVBQESA-N 0 0 192.262 2.011 10 0 AEAERN CCN(C(C)=O)[C@H](C)c1ccncc1 336125186 167131978 /nfs/dbraw/zinc/13/19/78/167131978.db2.gz BPWBXBVIYXWYHK-SECBINFHSA-N 0 0 192.262 2.011 10 0 AEAERN CCN(C(C)=O)C1CC(C)(C)C1 334814829 167132128 /nfs/dbraw/zinc/13/21/28/167132128.db2.gz FNUMCUVUTDJRJT-UHFFFAOYSA-N 0 0 169.268 2.043 10 0 AEAERN CCN(C(C)=O)[C@H](C)c1cccnc1 334341893 167132270 /nfs/dbraw/zinc/13/22/70/167132270.db2.gz PBHURICYFDOVNN-SECBINFHSA-N 0 0 192.262 2.011 10 0 AEAERN CCN(C)C(=O)C1(C2CCC2)CCC1 336308652 167132283 /nfs/dbraw/zinc/13/22/83/167132283.db2.gz JXCLIBNNLRZUIW-UHFFFAOYSA-N 0 0 195.306 2.435 10 0 AEAERN CCN(C)C(=O)Cc1ccc(C)s1 336567298 167132948 /nfs/dbraw/zinc/13/29/48/167132948.db2.gz UQZGZUOAPDEHLC-UHFFFAOYSA-N 0 0 197.303 2.077 10 0 AEAERN CCN(C)C(=O)Cc1ccsc1C 336567271 167133260 /nfs/dbraw/zinc/13/32/60/167133260.db2.gz FWVNBMAPXJXTHX-UHFFFAOYSA-N 0 0 197.303 2.077 10 0 AEAERN CCN(C)C(=O)N[C@@H](C)C1CCCC1 123641383 167134838 /nfs/dbraw/zinc/13/48/38/167134838.db2.gz FDPKEMANWOLJBA-VIFPVBQESA-N 0 0 198.310 2.226 10 0 AEAERN CCN(C)C(=O)N1CCCC12CCC2 334399835 167134886 /nfs/dbraw/zinc/13/48/86/167134886.db2.gz FKMCGZSJONXQTR-UHFFFAOYSA-N 0 0 196.294 2.077 10 0 AEAERN CCN(C)C(=O)NC(C)(C)C1CCC1 334628122 167134949 /nfs/dbraw/zinc/13/49/49/167134949.db2.gz YEFFASXSQAWBNZ-UHFFFAOYSA-N 0 0 198.310 2.226 10 0 AEAERN CCN(C)C(=O)NCC1CCCCC1 121945170 167135144 /nfs/dbraw/zinc/13/51/44/167135144.db2.gz GJCIXAYRYPSKBG-UHFFFAOYSA-N 0 0 198.310 2.228 10 0 AEAERN CCN(C)C(=O)N(C)c1ccccc1 39148379 167135349 /nfs/dbraw/zinc/13/53/49/167135349.db2.gz ZVZVXCQEGGRZSC-UHFFFAOYSA-N 0 0 192.262 2.195 10 0 AEAERN CCN(C)C(=O)N[C@H](C)C1CCCC1 123641637 167138036 /nfs/dbraw/zinc/13/80/36/167138036.db2.gz FDPKEMANWOLJBA-SECBINFHSA-N 0 0 198.310 2.226 10 0 AEAERN CCN(C)C(=S)C(C)(C)C 39124542 167140817 /nfs/dbraw/zinc/14/08/17/167140817.db2.gz PHPAJTVLFRJZDS-UHFFFAOYSA-N 0 0 159.298 2.312 10 0 AEAERN CCN(C)C(=O)c1csc(C)c1C 307051909 167140829 /nfs/dbraw/zinc/14/08/29/167140829.db2.gz JNHCDTIHSAMBQL-UHFFFAOYSA-N 0 0 197.303 2.457 10 0 AEAERN CCN(C)C(=O)c1ccoc1C1CC1 334252284 167141087 /nfs/dbraw/zinc/14/10/87/167141087.db2.gz VXZWVPCXYOERSU-UHFFFAOYSA-N 0 0 193.246 2.249 10 0 AEAERN CCN(C)C(=O)c1cccn1C(C)C 335814782 167142110 /nfs/dbraw/zinc/14/21/10/167142110.db2.gz HVJDFODLTCBTLP-UHFFFAOYSA-N 0 0 194.278 2.161 10 0 AEAERN CCN(C)Cc1cccc(O)c1Cl 307169390 167143526 /nfs/dbraw/zinc/14/35/26/167143526.db2.gz YAWYVEMAVPIJMF-UHFFFAOYSA-N 0 0 199.681 2.497 10 0 AEAERN CCN(C)Cc1ncc(Cl)s1 306648300 167144156 /nfs/dbraw/zinc/14/41/56/167144156.db2.gz CKFNCFXOHPCTIG-UHFFFAOYSA-N 0 0 190.699 2.248 10 0 AEAERN CCN(C)c1cccc(Cl)c1CO 37079080 167148443 /nfs/dbraw/zinc/14/84/43/167148443.db2.gz OATBESFCHQQGRW-UHFFFAOYSA-N 0 0 199.681 2.288 10 0 AEAERN CCN(C)c1ccc(C(C)=O)cc1F 37078966 167148473 /nfs/dbraw/zinc/14/84/73/167148473.db2.gz ARXRYNPXPDZWDB-UHFFFAOYSA-N 0 0 195.237 2.484 10 0 AEAERN CCN(C)c1c(F)cc(N)cc1F 38040047 167148585 /nfs/dbraw/zinc/14/85/85/167148585.db2.gz PSZHIOFNTWGBCI-UHFFFAOYSA-N 0 0 186.205 2.003 10 0 AEAERN CCN(C)c1ccc(C)cc1N 37078313 167148615 /nfs/dbraw/zinc/14/86/15/167148615.db2.gz SRBYXZDRZVYFLU-UHFFFAOYSA-N 0 0 164.252 2.033 10 0 AEAERN CCN(C)c1ccc([C@H](C)O)cc1 35631579 167148677 /nfs/dbraw/zinc/14/86/77/167148677.db2.gz YYSHMKGGENZRAQ-VIFPVBQESA-N 0 0 179.263 2.196 10 0 AEAERN CCN(C)c1ccc(C=O)cc1F 37079024 167148765 /nfs/dbraw/zinc/14/87/65/167148765.db2.gz WXQLRKVUUUDNII-UHFFFAOYSA-N 0 0 181.210 2.094 10 0 AEAERN CCN(C)c1nc2ccccc2[nH]1 95924135 167148976 /nfs/dbraw/zinc/14/89/76/167148976.db2.gz WTLYZHJGUKMEHG-UHFFFAOYSA-N 0 0 175.235 2.019 10 0 AEAERN CCN(C)c1ccc(Cl)cc1N 37078333 167149204 /nfs/dbraw/zinc/14/92/04/167149204.db2.gz ICRITTNMKLMNKY-UHFFFAOYSA-N 0 0 184.670 2.378 10 0 AEAERN CCN(C)c1cccc(F)c1[C@@H](C)O 35631576 167149207 /nfs/dbraw/zinc/14/92/07/167149207.db2.gz PGKKQZFZEQZUNB-MRVPVSSYSA-N 0 0 197.253 2.335 10 0 AEAERN CCN(C)c1cccc(F)c1[C@H](C)O 35631577 167149400 /nfs/dbraw/zinc/14/94/00/167149400.db2.gz PGKKQZFZEQZUNB-QMMMGPOBSA-N 0 0 197.253 2.335 10 0 AEAERN CCN(C)c1ccccc1[C@@H](C)O 35650525 167149624 /nfs/dbraw/zinc/14/96/24/167149624.db2.gz SMNJLCBAECUJNS-SECBINFHSA-N 0 0 179.263 2.196 10 0 AEAERN CCN(C)c1ccccc1[C@H](C)O 35650526 167149636 /nfs/dbraw/zinc/14/96/36/167149636.db2.gz SMNJLCBAECUJNS-VIFPVBQESA-N 0 0 179.263 2.196 10 0 AEAERN CCN(C)c1c(N)cccc1Cl 37078326 167149766 /nfs/dbraw/zinc/14/97/66/167149766.db2.gz HUMTTXCOHBQVJU-UHFFFAOYSA-N 0 0 184.670 2.378 10 0 AEAERN CCN(C)c1ccc(N)c(C)c1 35278191 167149788 /nfs/dbraw/zinc/14/97/88/167149788.db2.gz HBGVXYCEBNQNSM-UHFFFAOYSA-N 0 0 164.252 2.033 10 0 AEAERN CCN(C)c1ccc(N)cc1C 57411981 167149840 /nfs/dbraw/zinc/14/98/40/167149840.db2.gz NPHCPXSEXLIWRL-UHFFFAOYSA-N 0 0 164.252 2.033 10 0 AEAERN CCN(C)c1cccc(N)c1C 62724570 167149882 /nfs/dbraw/zinc/14/98/82/167149882.db2.gz KQQHWQVGXZRTEM-UHFFFAOYSA-N 0 0 164.252 2.033 10 0 AEAERN CCN(C)c1ccc([C@@H](C)O)cc1F 35631582 167149918 /nfs/dbraw/zinc/14/99/18/167149918.db2.gz XCWOFBQLQFCALT-MRVPVSSYSA-N 0 0 197.253 2.335 10 0 AEAERN CCN(C)c1ccc(F)cc1[C@@H](C)O 35631580 167149942 /nfs/dbraw/zinc/14/99/42/167149942.db2.gz OILIHMMQIBOEBD-MRVPVSSYSA-N 0 0 197.253 2.335 10 0 AEAERN CCN(C)c1ccc(F)cc1[C@H](C)O 35631581 167150007 /nfs/dbraw/zinc/15/00/07/167150007.db2.gz OILIHMMQIBOEBD-QMMMGPOBSA-N 0 0 197.253 2.335 10 0 AEAERN CCN(C)c1c(N)ccc(F)c1F 53164637 167150050 /nfs/dbraw/zinc/15/00/50/167150050.db2.gz KBQOTLPLVYSJSR-UHFFFAOYSA-N 0 0 186.205 2.003 10 0 AEAERN CCN(C)c1ccc(F)cc1C(C)=O 37078965 167150159 /nfs/dbraw/zinc/15/01/59/167150159.db2.gz VEKPACIHDAYYNQ-UHFFFAOYSA-N 0 0 195.237 2.484 10 0 AEAERN CCN(C)c1ccc(N)cc1Cl 37078330 167150179 /nfs/dbraw/zinc/15/01/79/167150179.db2.gz YMLNAGFBRJJFNG-UHFFFAOYSA-N 0 0 184.670 2.378 10 0 AEAERN CCN(C)c1ccc([C@H](C)O)cc1F 35631583 167150275 /nfs/dbraw/zinc/15/02/75/167150275.db2.gz XCWOFBQLQFCALT-QMMMGPOBSA-N 0 0 197.253 2.335 10 0 AEAERN CCN(C)c1ccc(C)c(N)c1 61701137 167150369 /nfs/dbraw/zinc/15/03/69/167150369.db2.gz ATKALVZPKMOXRZ-UHFFFAOYSA-N 0 0 164.252 2.033 10 0 AEAERN CCN(C)c1ccccc1C(C)=O 37078962 167150440 /nfs/dbraw/zinc/15/04/40/167150440.db2.gz JDVPZYZKMOVYBV-UHFFFAOYSA-N 0 0 177.247 2.345 10 0 AEAERN CCN(C)c1cccc(Cl)n1 67176013 167150605 /nfs/dbraw/zinc/15/06/05/167150605.db2.gz SHUCTRCNJLXXRF-UHFFFAOYSA-N 0 0 170.643 2.191 10 0 AEAERN CCN(C)c1cc(N)ccc1C 53734840 167150705 /nfs/dbraw/zinc/15/07/05/167150705.db2.gz MJKVWUTVIKOOIY-UHFFFAOYSA-N 0 0 164.252 2.033 10 0 AEAERN CCN(C)c1ccc(F)cc1C=O 37233842 167150846 /nfs/dbraw/zinc/15/08/46/167150846.db2.gz SAKJYFKNXCDHER-UHFFFAOYSA-N 0 0 181.210 2.094 10 0 AEAERN CCN(C)c1ccc([C@@H](C)O)cc1 35631578 167151382 /nfs/dbraw/zinc/15/13/82/167151382.db2.gz YYSHMKGGENZRAQ-SECBINFHSA-N 0 0 179.263 2.196 10 0 AEAERN CCN(C)c1cccc(F)c1C(C)=O 37078963 167151429 /nfs/dbraw/zinc/15/14/29/167151429.db2.gz JEXPYWBPHHDKPV-UHFFFAOYSA-N 0 0 195.237 2.484 10 0 AEAERN CC[N@@H+](C1CCCC1)[C@@H](C)CC(=O)[O-] 35766621 167153375 /nfs/dbraw/zinc/15/33/75/167153375.db2.gz RNVVAXKUHOLYEN-VIFPVBQESA-N 0 0 199.294 2.114 10 0 AEAERN CC[N@@H+](C1CCCCC1)[C@H](C)C(=O)[O-] 11798195 167154633 /nfs/dbraw/zinc/15/46/33/167154633.db2.gz YTGANUIOWDTPSD-SECBINFHSA-N 0 0 199.294 2.114 10 0 AEAERN CC[N@@H+](C1CCCCC1)[C@@H](C)C(=O)[O-] 11798194 167155006 /nfs/dbraw/zinc/15/50/06/167155006.db2.gz YTGANUIOWDTPSD-VIFPVBQESA-N 0 0 199.294 2.114 10 0 AEAERN CC[N@H+](C1CCCC1)C(C)(C)C(=O)[O-] 41876684 167155572 /nfs/dbraw/zinc/15/55/72/167155572.db2.gz PFWFVMYKRLSETI-UHFFFAOYSA-N 0 0 199.294 2.114 10 0 AEAERN CC[N@@H+](C1CCCC1)[C@H](C)CC(=O)[O-] 35766623 167155601 /nfs/dbraw/zinc/15/56/01/167155601.db2.gz RNVVAXKUHOLYEN-SECBINFHSA-N 0 0 199.294 2.114 10 0 AEAERN CCN(CC(C)C)c1ncccc1N 37111324 167156025 /nfs/dbraw/zinc/15/60/25/167156025.db2.gz ZJGAYEDYACPIKY-UHFFFAOYSA-N 0 0 193.294 2.146 10 0 AEAERN CCN(CC(C)C)c1ccc(N)nc1 37111319 167156747 /nfs/dbraw/zinc/15/67/47/167156747.db2.gz JKCANHDKLFHFEN-UHFFFAOYSA-N 0 0 193.294 2.146 10 0 AEAERN CC[N@H+](CC(=O)[O-])C1CCCCCC1 76582653 167158237 /nfs/dbraw/zinc/15/82/37/167158237.db2.gz BLLVNHMOUONKON-UHFFFAOYSA-N 0 0 199.294 2.116 10 0 AEAERN CCN(CC(C)C)c1ccc(N)cn1 37111328 167158870 /nfs/dbraw/zinc/15/88/70/167158870.db2.gz LWKIPYMRKDKHJB-UHFFFAOYSA-N 0 0 193.294 2.146 10 0 AEAERN CCN(CC)C(=O)OCC(C)C 39596214 167159982 /nfs/dbraw/zinc/15/99/82/167159982.db2.gz IRUZTBVDTVEQPU-UHFFFAOYSA-N 0 0 173.256 2.121 10 0 AEAERN CCN(CC)C(=O)N1CCC12CCC2 336410620 167160042 /nfs/dbraw/zinc/16/00/42/167160042.db2.gz RRRVPBHYLKMQOY-UHFFFAOYSA-N 0 0 196.294 2.077 10 0 AEAERN CCN(CC)C(=O)N1CCCC1(C)C 123015509 167160398 /nfs/dbraw/zinc/16/03/98/167160398.db2.gz WTIHPNGULZXCEH-UHFFFAOYSA-N 0 0 198.310 2.323 10 0 AEAERN CCN(CC)C(=O)[C@@H]1CCC[C@H]1C 34479835 167160601 /nfs/dbraw/zinc/16/06/01/167160601.db2.gz ATECVPXNQDHKNT-NXEZZACHSA-N 0 0 183.295 2.291 10 0 AEAERN CC[C@@H]1CCC[C@@H](NN(C)C)C1 134161500 343935693 /nfs/dbraw/zinc/93/56/93/343935693.db2.gz GDNONDDLOYOBLS-NXEZZACHSA-N 0 0 170.300 2.021 10 0 AEAERN CCN(CC)C(=O)[C@@H]1CCC[C@@H]1C 34479831 167162140 /nfs/dbraw/zinc/16/21/40/167162140.db2.gz ATECVPXNQDHKNT-VHSXEESVSA-N 0 0 183.295 2.291 10 0 AEAERN CCN(CC)C(=O)OC1CCCC1 32216497 167162179 /nfs/dbraw/zinc/16/21/79/167162179.db2.gz GWOSHUMBUKZVJV-UHFFFAOYSA-N 0 0 185.267 2.407 10 0 AEAERN CCN(CC)C(=O)[C@H]1CCC[C@H]1C 34479837 167162941 /nfs/dbraw/zinc/16/29/41/167162941.db2.gz ATECVPXNQDHKNT-ZJUUUORDSA-N 0 0 183.295 2.291 10 0 AEAERN CCN(CC)C(=O)[C@H]1C[C@H]2CC[C@@H]1C2 6046222 167163330 /nfs/dbraw/zinc/16/33/30/167163330.db2.gz OXPQIMFDGXLVNH-AXFHLTTASA-N 0 0 195.306 2.291 10 0 AEAERN CCN(CC)C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 6046221 167163806 /nfs/dbraw/zinc/16/38/06/167163806.db2.gz OXPQIMFDGXLVNH-HBNTYKKESA-N 0 0 195.306 2.291 10 0 AEAERN CCN(CC)C(=O)[C@@]1(C)C[C@@H]2C[C@@H]2C1 334188973 167163974 /nfs/dbraw/zinc/16/39/74/167163974.db2.gz GSIJCHARQNSCPP-PEGIJTEDSA-N 0 0 195.306 2.291 10 0 AEAERN CCN(CC)C(=O)[C@H]1CCC[C@@H]1C 34479833 167164400 /nfs/dbraw/zinc/16/44/00/167164400.db2.gz ATECVPXNQDHKNT-UWVGGRQHSA-N 0 0 183.295 2.291 10 0 AEAERN CCN(CC)CSc1ccccn1 39122110 167165056 /nfs/dbraw/zinc/16/50/56/167165056.db2.gz RRTCPCOVVVKHRL-UHFFFAOYSA-N 0 0 196.319 2.473 10 0 AEAERN CCN(CC)c1ccc(N)c(F)c1 77269775 167172437 /nfs/dbraw/zinc/17/24/37/167172437.db2.gz FRCVYXZZUMRKLP-UHFFFAOYSA-N 0 0 182.242 2.254 10 0 AEAERN CCN(CC)c1ccc(N)c(OC)c1 5544035 167172492 /nfs/dbraw/zinc/17/24/92/167172492.db2.gz LGMWBTURBRPNCJ-UHFFFAOYSA-N 0 0 194.278 2.124 10 0 AEAERN CCN(CC)c1cc(OC)ccc1N 83253243 167172663 /nfs/dbraw/zinc/17/26/63/167172663.db2.gz MPTRCNRYQMSYDT-UHFFFAOYSA-N 0 0 194.278 2.124 10 0 AEAERN CCN(CC)c1ccc(C=O)s1 26438601 167173073 /nfs/dbraw/zinc/17/30/73/167173073.db2.gz IJXNNFZFKQMSPR-UHFFFAOYSA-N 0 0 183.276 2.407 10 0 AEAERN CCN(CC)c1cc(N)ccc1F 32007603 167173348 /nfs/dbraw/zinc/17/33/48/167173348.db2.gz RNFWXVWVJIMOIZ-UHFFFAOYSA-N 0 0 182.242 2.254 10 0 AEAERN CCN(CC)c1cc(N)cc(F)c1 37666501 167173760 /nfs/dbraw/zinc/17/37/60/167173760.db2.gz SAQRIXNRWJQBIY-UHFFFAOYSA-N 0 0 182.242 2.254 10 0 AEAERN CCN(CC)c1cc(F)ccc1N 52118762 167174045 /nfs/dbraw/zinc/17/40/45/167174045.db2.gz NSGUHKMKYZUACZ-UHFFFAOYSA-N 0 0 182.242 2.254 10 0 AEAERN CCN(CC)c1ccc(F)c(N)c1 32007602 167174171 /nfs/dbraw/zinc/17/41/71/167174171.db2.gz XHMUEGXSGREGSC-UHFFFAOYSA-N 0 0 182.242 2.254 10 0 AEAERN CCN(CC)c1cc(C)nc(Cl)n1 39206001 167174336 /nfs/dbraw/zinc/17/43/36/167174336.db2.gz ICFXJGYFOYFDBO-UHFFFAOYSA-N 0 0 199.685 2.285 10 0 AEAERN CCN(CC)c1cc(C)ccn1 95483590 167174546 /nfs/dbraw/zinc/17/45/46/167174546.db2.gz DDBXXAUBACBYFG-UHFFFAOYSA-N 0 0 164.252 2.236 10 0 AEAERN CCN(CC)c1ncc(N)cc1Cl 82531304 167175203 /nfs/dbraw/zinc/17/52/03/167175203.db2.gz PHIVBWXUNSTBCM-UHFFFAOYSA-N 0 0 199.685 2.163 10 0 AEAERN CCN(CC)c1ncc(Cl)cc1N 82531306 167175216 /nfs/dbraw/zinc/17/52/16/167175216.db2.gz YXJJESSLDQKIRV-UHFFFAOYSA-N 0 0 199.685 2.163 10 0 AEAERN CCN(CC)c1nsnc1Cl 37372178 167175262 /nfs/dbraw/zinc/17/52/62/167175262.db2.gz YLUDMRGIONOYLD-UHFFFAOYSA-N 0 0 191.687 2.038 10 0 AEAERN CCN(CC)c1ccc(O)c(OC)c1 58405877 167175386 /nfs/dbraw/zinc/17/53/86/167175386.db2.gz RGWUGDXIWBDWKO-UHFFFAOYSA-N 0 0 195.262 2.247 10 0 AEAERN CCN(CC)c1ccn2ccnc2c1 89201473 167175640 /nfs/dbraw/zinc/17/56/40/167175640.db2.gz KVYJZXPUJPLBHG-UHFFFAOYSA-N 0 0 189.262 2.181 10 0 AEAERN CCN(CC)c1cccc2nccn12 89201323 167175742 /nfs/dbraw/zinc/17/57/42/167175742.db2.gz VDDQKNKSUQXSFU-UHFFFAOYSA-N 0 0 189.262 2.181 10 0 AEAERN CCN(CC)c1cccc(F)n1 40711799 167175840 /nfs/dbraw/zinc/17/58/40/167175840.db2.gz LYXFIMYETLFPHT-UHFFFAOYSA-N 0 0 168.215 2.067 10 0 AEAERN CCN(CC)c1ccoc1 39078553 167175974 /nfs/dbraw/zinc/17/59/74/167175974.db2.gz LXMPLSIALAGOLD-UHFFFAOYSA-N 0 0 139.198 2.126 10 0 AEAERN CCN(CC)c1ccccc1C=O 20078911 167176003 /nfs/dbraw/zinc/17/60/03/167176003.db2.gz FLCWJWNCSHIREG-UHFFFAOYSA-N 0 0 177.247 2.345 10 0 AEAERN CCN(CC)c1nc(C(C)=O)cs1 70849027 167176006 /nfs/dbraw/zinc/17/60/06/167176006.db2.gz TVNHFKLQZBXBDX-UHFFFAOYSA-N 0 0 198.291 2.192 10 0 AEAERN CCN(CC)c1nccc(Cl)c1N 74378225 167176193 /nfs/dbraw/zinc/17/61/93/167176193.db2.gz FJSONDJKQSRRMB-UHFFFAOYSA-N 0 0 199.685 2.163 10 0 AEAERN CCN(CC)c1cccc(F)c1N 37418989 167176460 /nfs/dbraw/zinc/17/64/60/167176460.db2.gz PSIYQDYNYVBOHL-UHFFFAOYSA-N 0 0 182.242 2.254 10 0 AEAERN CCN(CC)c1ccccc1O 5139525 167176558 /nfs/dbraw/zinc/17/65/58/167176558.db2.gz YOIQWFZSLGRZJX-UHFFFAOYSA-N 0 0 165.236 2.238 10 0 AEAERN CCN(CC)c1cccc(N)c1C 62723777 167176661 /nfs/dbraw/zinc/17/66/61/167176661.db2.gz OTGHKUMHTPXFRB-UHFFFAOYSA-N 0 0 178.279 2.423 10 0 AEAERN CCN(CC)c1nc2ccncc2o1 38672322 167176685 /nfs/dbraw/zinc/17/66/85/167176685.db2.gz HHLCOTDYJWDGGY-UHFFFAOYSA-N 0 0 191.234 2.069 10 0 AEAERN CCN(CC)c1ccc2[nH]cnc2c1 39263870 167176756 /nfs/dbraw/zinc/17/67/56/167176756.db2.gz QXMSBIXEGFWBGP-UHFFFAOYSA-N 0 0 189.262 2.409 10 0 AEAERN CCN(CC)c1cccn2ccnc12 89201524 167177182 /nfs/dbraw/zinc/17/71/82/167177182.db2.gz MDOSUJCZHFYFQV-UHFFFAOYSA-N 0 0 189.262 2.181 10 0 AEAERN CCN(CC)c1coc(C)c1 39080485 167177314 /nfs/dbraw/zinc/17/73/14/167177314.db2.gz INNLJIBAOPUGLM-UHFFFAOYSA-N 0 0 153.225 2.434 10 0 AEAERN CCN(CC)n1cnc2ccccc21 34445712 167177380 /nfs/dbraw/zinc/17/73/80/167177380.db2.gz DFOYVMHOOZXMFD-UHFFFAOYSA-N 0 0 189.262 2.014 10 0 AEAERN CCN(CC)c1ccc2cc[nH]c2n1 79032513 167177624 /nfs/dbraw/zinc/17/76/24/167177624.db2.gz LQEXICZTKHOJSB-UHFFFAOYSA-N 0 0 189.262 2.409 10 0 AEAERN CCN(CC)c1ccc2cn[nH]c2c1 89197346 167177816 /nfs/dbraw/zinc/17/78/16/167177816.db2.gz GLFBUNHECYWSGH-UHFFFAOYSA-N 0 0 189.262 2.409 10 0 AEAERN CCN(CCCCO)c1ccccc1 35649790 167178424 /nfs/dbraw/zinc/17/84/24/167178424.db2.gz NDARFFSXHZATHX-UHFFFAOYSA-N 0 0 193.290 2.285 10 0 AEAERN CCN(CC[C@H](C)O)c1ccccc1 44122105 167188377 /nfs/dbraw/zinc/18/83/77/167188377.db2.gz KTIZGQJRZBEMGI-NSHDSACASA-N 0 0 193.290 2.284 10 0 AEAERN CCN(CC[C@@H](C)O)c1ccccc1 44122100 167188812 /nfs/dbraw/zinc/18/88/12/167188812.db2.gz KTIZGQJRZBEMGI-LLVKDONJSA-N 0 0 193.290 2.284 10 0 AEAERN CCN(C[C@@H](C)O)c1ccc(F)cc1 50012386 167191595 /nfs/dbraw/zinc/19/15/95/167191595.db2.gz ORKVMXHKAVYLMB-SECBINFHSA-N 0 0 197.253 2.033 10 0 AEAERN CCN(C[C@H](C)O)c1ccc(F)cc1 50012387 167194686 /nfs/dbraw/zinc/19/46/86/167194686.db2.gz ORKVMXHKAVYLMB-VIFPVBQESA-N 0 0 197.253 2.033 10 0 AEAERN CCN(O)c1ccc(C)cc1 39133597 167194987 /nfs/dbraw/zinc/19/49/87/167194987.db2.gz YXXRLJUGRZCDGH-UHFFFAOYSA-N 0 0 151.209 2.211 10 0 AEAERN CCN(c1cncc(Cl)n1)C1CC1 43537650 167195038 /nfs/dbraw/zinc/19/50/38/167195038.db2.gz LEUWSJDTYTWIOZ-UHFFFAOYSA-N 0 0 197.669 2.119 10 0 AEAERN CCN(c1ccc(N)nc1)C(C)(C)C 19952696 167195348 /nfs/dbraw/zinc/19/53/48/167195348.db2.gz BNKVKMQJYIMTHD-UHFFFAOYSA-N 0 0 193.294 2.289 10 0 AEAERN CCN(c1ncccc1N)C(C)(C)C 20317206 167195440 /nfs/dbraw/zinc/19/54/40/167195440.db2.gz VAANPEYTLZRLNN-UHFFFAOYSA-N 0 0 193.294 2.289 10 0 AEAERN CCN(c1cc(N)cc(F)c1)C1CC1 37667933 167195447 /nfs/dbraw/zinc/19/54/47/167195447.db2.gz QTFWBDHZJLDDOA-UHFFFAOYSA-N 0 0 194.253 2.397 10 0 AEAERN CCN(c1cccc(F)c1N)C1CC1 37419544 167195681 /nfs/dbraw/zinc/19/56/81/167195681.db2.gz PEEPZDNBAHAWBO-UHFFFAOYSA-N 0 0 194.253 2.397 10 0 AEAERN CCN(c1ccc(C=O)o1)C(C)C 50544124 167195732 /nfs/dbraw/zinc/19/57/32/167195732.db2.gz IJDJGVIARCIJKZ-UHFFFAOYSA-N 0 0 181.235 2.327 10 0 AEAERN CCN(c1nccnc1Cl)C1CC1 43537651 167195789 /nfs/dbraw/zinc/19/57/89/167195789.db2.gz UWNGIKOAOARHGJ-UHFFFAOYSA-N 0 0 197.669 2.119 10 0 AEAERN CCN(c1cc(Cl)ncn1)C(C)C 48631196 167195824 /nfs/dbraw/zinc/19/58/24/167195824.db2.gz WYXJQRKKUXTQAB-UHFFFAOYSA-N 0 0 199.685 2.365 10 0 AEAERN CCN(c1ccc(N)cn1)C(C)(C)C 19952548 167195864 /nfs/dbraw/zinc/19/58/64/167195864.db2.gz DISQYLHVTZCKDG-UHFFFAOYSA-N 0 0 193.294 2.289 10 0 AEAERN CCN(c1ccnc(Cl)n1)C1CC1 51849436 167195946 /nfs/dbraw/zinc/19/59/46/167195946.db2.gz QNGZOUGPSUWFMT-UHFFFAOYSA-N 0 0 197.669 2.119 10 0 AEAERN CCN(c1ccc(N)cc1F)C1CC1 37079507 167196091 /nfs/dbraw/zinc/19/60/91/167196091.db2.gz ZHNQLMWOJMVLCZ-UHFFFAOYSA-N 0 0 194.253 2.397 10 0 AEAERN CCN(c1cccc(F)n1)C1CC1 40712000 167196161 /nfs/dbraw/zinc/19/61/61/167196161.db2.gz ATKOXPLTICHEIV-UHFFFAOYSA-N 0 0 180.226 2.209 10 0 AEAERN CCN(c1nccnc1Cl)C(C)C 43537655 167196172 /nfs/dbraw/zinc/19/61/72/167196172.db2.gz PSERWHRVUZWSSU-UHFFFAOYSA-N 0 0 199.685 2.365 10 0 AEAERN CCN(c1cc(Cl)ncn1)C1CC1 48631194 167196257 /nfs/dbraw/zinc/19/62/57/167196257.db2.gz YUGRNVCOIXRDSI-UHFFFAOYSA-N 0 0 197.669 2.119 10 0 AEAERN CCN(c1cc(F)ccc1N)C1CC1 52120011 167196276 /nfs/dbraw/zinc/19/62/76/167196276.db2.gz YSLVUJIMTZEYGA-UHFFFAOYSA-N 0 0 194.253 2.397 10 0 AEAERN CCN(c1ccccc1N)C1CC1 37079522 167196286 /nfs/dbraw/zinc/19/62/86/167196286.db2.gz YZTFTIBOJYKJFI-UHFFFAOYSA-N 0 0 176.263 2.258 10 0 AEAERN CCN(c1ncc(N)cc1C)C(C)C 52812589 167196332 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NHUIFUQXFTVYQV-UHFFFAOYSA-N 0 0 178.279 2.493 10 0 AEAERN CCNc1ccc(N(C)C)cc1 5544269 167310147 /nfs/dbraw/zinc/31/01/47/167310147.db2.gz IUFMIBKYHZGKRZ-UHFFFAOYSA-N 0 0 164.252 2.184 10 0 AEAERN CCNc1ccc(O)cc1C 44710126 167310187 /nfs/dbraw/zinc/31/01/87/167310187.db2.gz VNZAHNNZLAXCKE-UHFFFAOYSA-N 0 0 151.209 2.132 10 0 AEAERN CCNc1ccc2c(c1)O[C@@H](C)CN2 36242050 167310298 /nfs/dbraw/zinc/31/02/98/167310298.db2.gz JZAVADNYLDGCEI-QMMMGPOBSA-N 0 0 192.262 2.311 10 0 AEAERN CCNc1cccc2c1NC[C@@H](C)O2 36242074 167310325 /nfs/dbraw/zinc/31/03/25/167310325.db2.gz CZFNWPYLOJVSSF-MRVPVSSYSA-N 0 0 192.262 2.311 10 0 AEAERN CCNc1cccc(COC)c1 36918300 167310381 /nfs/dbraw/zinc/31/03/81/167310381.db2.gz YQKFCUSAZYHSQS-UHFFFAOYSA-N 0 0 165.236 2.265 10 0 AEAERN CCNc1ccc2nccnc2c1 37772950 167310388 /nfs/dbraw/zinc/31/03/88/167310388.db2.gz HXXALOZDYSDFJK-UHFFFAOYSA-N 0 0 173.219 2.062 10 0 AEAERN CCNc1cccc(-c2nnco2)c1 20187342 167310397 /nfs/dbraw/zinc/31/03/97/167310397.db2.gz UCHAAJUTSTYPHP-UHFFFAOYSA-N 0 0 189.218 2.168 10 0 AEAERN CCNc1cccc(N(C)C)c1 82710767 167310424 /nfs/dbraw/zinc/31/04/24/167310424.db2.gz ZPSDQRVTGNZUCZ-UHFFFAOYSA-N 0 0 164.252 2.184 10 0 AEAERN CCNc1ccc(O)c(C)c1C 71456769 167310517 /nfs/dbraw/zinc/31/05/17/167310517.db2.gz PUIGCDDRYFMHMO-UHFFFAOYSA-N 0 0 165.236 2.441 10 0 AEAERN CCNc1ccc2c(c1)ncn2C 77265862 167310602 /nfs/dbraw/zinc/31/06/02/167310602.db2.gz LWZBOEIPEHXCIG-UHFFFAOYSA-N 0 0 175.235 2.005 10 0 AEAERN CCNc1cccc([C@H](C)O)c1 62718182 167310677 /nfs/dbraw/zinc/31/06/77/167310677.db2.gz FKUPWRNQOXVSTD-QMMMGPOBSA-N 0 0 165.236 2.172 10 0 AEAERN CCNc1ccnc(CCC(C)C)n1 50863859 167310735 /nfs/dbraw/zinc/31/07/35/167310735.db2.gz ROIVPCSYBAHBDN-UHFFFAOYSA-N 0 0 193.294 2.497 10 0 AEAERN CCNc1cccc2c1NC[C@H](C)O2 36242072 167310763 /nfs/dbraw/zinc/31/07/63/167310763.db2.gz CZFNWPYLOJVSSF-QMMMGPOBSA-N 0 0 192.262 2.311 10 0 AEAERN CCNc1ccnc(CC(C)C)n1 50863755 167310774 /nfs/dbraw/zinc/31/07/74/167310774.db2.gz ONKMNEPZFLGTBE-UHFFFAOYSA-N 0 0 179.267 2.107 10 0 AEAERN CCNc1ccc(F)cc1F 19952389 167310792 /nfs/dbraw/zinc/31/07/92/167310792.db2.gz SXXLALYAVYIVGB-UHFFFAOYSA-N 0 0 157.163 2.397 10 0 AEAERN CCNc1ccc2c(c1)CCO2 37103944 167310818 /nfs/dbraw/zinc/31/08/18/167310818.db2.gz DDUPPFJPNMUFID-UHFFFAOYSA-N 0 0 163.220 2.053 10 0 AEAERN CCNc1ccc2ncoc2c1 77261362 167310891 /nfs/dbraw/zinc/31/08/91/167310891.db2.gz FKKWGXMJPAGRTC-UHFFFAOYSA-N 0 0 162.192 2.260 10 0 AEAERN CCNc1ccc(NC2CC2)nc1 41626187 167310941 /nfs/dbraw/zinc/31/09/41/167310941.db2.gz XJBNZFZYKTUYCQ-UHFFFAOYSA-N 0 0 177.251 2.088 10 0 AEAERN CCNc1ccc2c(c1)OCCCO2 19906156 167310966 /nfs/dbraw/zinc/31/09/66/167310966.db2.gz ITUZPEGFAWUTSI-UHFFFAOYSA-N 0 0 193.246 2.280 10 0 AEAERN CCNc1ccccc1[C@@H](C)O 49542486 167311011 /nfs/dbraw/zinc/31/10/11/167311011.db2.gz IWQRRLHXMQZSMS-MRVPVSSYSA-N 0 0 165.236 2.172 10 0 AEAERN CCNc1ccnc(-c2ccco2)n1 50865647 167311015 /nfs/dbraw/zinc/31/10/15/167311015.db2.gz IKLDXZKFCOYOHG-UHFFFAOYSA-N 0 0 189.218 2.168 10 0 AEAERN CCNc1ccc(NC(C)C)nc1 41626374 167311128 /nfs/dbraw/zinc/31/11/28/167311128.db2.gz SJTXYNQDSZPPAY-UHFFFAOYSA-N 0 0 179.267 2.334 10 0 AEAERN CCNc1ccc2c(c1)O[C@H](C)CN2 36242048 167311391 /nfs/dbraw/zinc/31/13/91/167311391.db2.gz JZAVADNYLDGCEI-MRVPVSSYSA-N 0 0 192.262 2.311 10 0 AEAERN CCNc1ccc2c(c1)CCC(=O)N2 37124157 167311414 /nfs/dbraw/zinc/31/14/14/167311414.db2.gz MJTXIQCDOZBFOY-UHFFFAOYSA-N 0 0 190.246 2.003 10 0 AEAERN CCNc1ccc(N2CCCC2)nc1 36982268 167311423 /nfs/dbraw/zinc/31/14/23/167311423.db2.gz FZUWPQXGOWJPKP-UHFFFAOYSA-N 0 0 191.278 2.114 10 0 AEAERN CCNc1ncc(CC)s1 61714393 167311579 /nfs/dbraw/zinc/31/15/79/167311579.db2.gz MFKVZMFQAREQPE-UHFFFAOYSA-N 0 0 156.254 2.137 10 0 AEAERN CCNc1nc2ncccc2s1 40163711 167311586 /nfs/dbraw/zinc/31/15/86/167311586.db2.gz NCAJAJQURYBXMN-UHFFFAOYSA-N 0 0 179.248 2.123 10 0 AEAERN CCNc1nc(C)nc(C)c1CC 50849511 167311596 /nfs/dbraw/zinc/31/15/96/167311596.db2.gz VOCXDCFFUQEZGU-UHFFFAOYSA-N 0 0 179.267 2.088 10 0 AEAERN CCNc1n[nH]c2c1C[C@H](CC)CC2 62668028 167311830 /nfs/dbraw/zinc/31/18/30/167311830.db2.gz FYDFZOZFMLPBHM-MRVPVSSYSA-N 0 0 193.294 2.356 10 0 AEAERN CCNc1nc(C2CCCC2)no1 53750196 167312114 /nfs/dbraw/zinc/31/21/14/167312114.db2.gz QPAULUDNMXPXFV-UHFFFAOYSA-N 0 0 181.239 2.159 10 0 AEAERN CCNc1nc2c(F)cccc2n1C 307400374 167312149 /nfs/dbraw/zinc/31/21/49/167312149.db2.gz BIBNCCDYPNXYPV-UHFFFAOYSA-N 0 0 193.225 2.144 10 0 AEAERN CCNc1nc(-c2ccsc2)no1 53750328 167312203 /nfs/dbraw/zinc/31/22/03/167312203.db2.gz ZTDUOZPMULBMNR-UHFFFAOYSA-N 0 0 195.247 2.230 10 0 AEAERN CCNc1n[nH]c2c1C[C@@H](CC)CC2 62668030 167312267 /nfs/dbraw/zinc/31/22/67/167312267.db2.gz FYDFZOZFMLPBHM-QMMMGPOBSA-N 0 0 193.294 2.356 10 0 AEAERN CCNc1ccnc2cnccc12 306541558 167312518 /nfs/dbraw/zinc/31/25/18/167312518.db2.gz SWJNOPZRZHRCGH-UHFFFAOYSA-N 0 0 173.219 2.062 10 0 AEAERN CCNc1n[nH]c2c1CCC[C@H]2C 62668032 167312608 /nfs/dbraw/zinc/31/26/08/167312608.db2.gz JPMVKCUNRFZGOV-SSDOTTSWSA-N 0 0 179.267 2.281 10 0 AEAERN CCNc1nc(SCC)ns1 75824971 167312641 /nfs/dbraw/zinc/31/26/41/167312641.db2.gz HWROEYKPVKVUHT-UHFFFAOYSA-N 0 0 189.309 2.082 10 0 AEAERN CCNc1nc2cccnc2s1 128806 167312683 /nfs/dbraw/zinc/31/26/83/167312683.db2.gz RWSFBSWRFBRXDY-UHFFFAOYSA-N 0 0 179.248 2.123 10 0 AEAERN CCNc1ccnc([C@H](C)CC)n1 51690763 167312736 /nfs/dbraw/zinc/31/27/36/167312736.db2.gz LYAXLWPAENCLMG-MRVPVSSYSA-N 0 0 179.267 2.422 10 0 AEAERN CCNc1ncccc1CSC 52756503 167312964 /nfs/dbraw/zinc/31/29/64/167312964.db2.gz VQDNMUNGCIPBKJ-UHFFFAOYSA-N 0 0 182.292 2.376 10 0 AEAERN CCNc1nc2ccc(C)cc2[nH]1 71418589 167313127 /nfs/dbraw/zinc/31/31/27/167313127.db2.gz UUTBOFBEEOIVMK-UHFFFAOYSA-N 0 0 175.235 2.303 10 0 AEAERN CCNc1n[nH]c(C(C)C)c1C 62667975 167313145 /nfs/dbraw/zinc/31/31/45/167313145.db2.gz GBQDDAFOLCUJQU-UHFFFAOYSA-N 0 0 167.256 2.273 10 0 AEAERN CCNc1n[nH]c2c1CCC[C@@H]2C 62668034 167313286 /nfs/dbraw/zinc/31/32/86/167313286.db2.gz JPMVKCUNRFZGOV-ZETCQYMHSA-N 0 0 179.267 2.281 10 0 AEAERN CCNc1nc(CC)nc(C)c1CC 50849515 167313356 /nfs/dbraw/zinc/31/33/56/167313356.db2.gz CLHQBPQJOVOVCO-UHFFFAOYSA-N 0 0 193.294 2.342 10 0 AEAERN CCNc1ccnc2cccnc12 307232180 167313373 /nfs/dbraw/zinc/31/33/73/167313373.db2.gz CFPKYAVVRFHKBK-UHFFFAOYSA-N 0 0 173.219 2.062 10 0 AEAERN CCNc1nc(C)c(COC)s1 61714331 167313384 /nfs/dbraw/zinc/31/33/84/167313384.db2.gz QKAAIQVZCABUFX-UHFFFAOYSA-N 0 0 186.280 2.030 10 0 AEAERN CCNc1ccnc2cc(F)cnc12 307440201 167313426 /nfs/dbraw/zinc/31/34/26/167313426.db2.gz XUXSQLWUFFEPIB-UHFFFAOYSA-N 0 0 191.209 2.201 10 0 AEAERN CCNc1nc(C2CC2)cs1 61877200 167313667 /nfs/dbraw/zinc/31/36/67/167313667.db2.gz ZVCKFXZPNLMKHR-UHFFFAOYSA-N 0 0 168.265 2.452 10 0 AEAERN CCNc1ncnc2c(F)cccc12 169929412 167313713 /nfs/dbraw/zinc/31/37/13/167313713.db2.gz MKLXAVDZGLMHMN-UHFFFAOYSA-N 0 0 191.209 2.201 10 0 AEAERN CCNc1nc(C)nc2sccc12 50841532 167313806 /nfs/dbraw/zinc/31/38/06/167313806.db2.gz BYIULFGDDQXQSW-UHFFFAOYSA-N 0 0 193.275 2.432 10 0 AEAERN CCNc1ncccc1Cl 21013601 167313864 /nfs/dbraw/zinc/31/38/64/167313864.db2.gz CMMPEWLNZOZBMA-UHFFFAOYSA-N 0 0 156.616 2.167 10 0 AEAERN CCNc1nc(C)cc(OC(C)C)n1 58825793 167313904 /nfs/dbraw/zinc/31/39/04/167313904.db2.gz KGHCBPHINJXYPS-UHFFFAOYSA-N 0 0 195.266 2.004 10 0 AEAERN CCNc1nccc2c(N)cccc12 82753931 167313963 /nfs/dbraw/zinc/31/39/63/167313963.db2.gz NZIMCAGXRIJVEW-UHFFFAOYSA-N 0 0 187.246 2.249 10 0 AEAERN CCNc1nc2ccccc2nc1C 39115258 167314077 /nfs/dbraw/zinc/31/40/77/167314077.db2.gz GEYJWBMXQWXQJB-UHFFFAOYSA-N 0 0 187.246 2.370 10 0 AEAERN CCNc1nc(C)nc2c1CCCC2 50852280 167314115 /nfs/dbraw/zinc/31/41/15/167314115.db2.gz AHYGNXFYGMJYTM-UHFFFAOYSA-N 0 0 191.278 2.096 10 0 AEAERN CCNc1nc2cnccc2s1 40163709 167314217 /nfs/dbraw/zinc/31/42/17/167314217.db2.gz MRIMFKIBUJFGJB-UHFFFAOYSA-N 0 0 179.248 2.123 10 0 AEAERN CCNc1ccnc([C@@H](C)CC)n1 51690764 167314275 /nfs/dbraw/zinc/31/42/75/167314275.db2.gz LYAXLWPAENCLMG-QMMMGPOBSA-N 0 0 179.267 2.422 10 0 AEAERN CCNc1nc(-c2cccs2)no1 53750306 167314784 /nfs/dbraw/zinc/31/47/84/167314784.db2.gz OYBDSGBNSHVGGT-UHFFFAOYSA-N 0 0 195.247 2.230 10 0 AEAERN CCNc1nccc(C)c1Cl 306265272 167314806 /nfs/dbraw/zinc/31/48/06/167314806.db2.gz DUZQOMRSOABNAD-UHFFFAOYSA-N 0 0 170.643 2.475 10 0 AEAERN CCNc1nccc(C(C)(C)C)n1 306209318 167314937 /nfs/dbraw/zinc/31/49/37/167314937.db2.gz BKSWQRZDUBTFBX-UHFFFAOYSA-N 0 0 179.267 2.206 10 0 AEAERN CCO/C=C(/Cl)OCC 1999718 167315463 /nfs/dbraw/zinc/31/54/63/167315463.db2.gz IDLHLHMHDMKTCL-WAYWQWQTSA-N 0 0 150.605 2.097 10 0 AEAERN CCNc1sccc1C(C)=O 306816232 167315716 /nfs/dbraw/zinc/31/57/16/167315716.db2.gz BYFFQJISTAOABE-UHFFFAOYSA-N 0 0 169.249 2.383 10 0 AEAERN CCOC(N)=C1C=Nc2ccccc21 135850325 167315954 /nfs/dbraw/zinc/31/59/54/167315954.db2.gz IMDXKKHOQAEESN-LUAWRHEFSA-N 0 0 188.230 2.066 10 0 AEAERN CCNc1nnc(-c2ccccc2)o1 39648500 167316202 /nfs/dbraw/zinc/31/62/02/167316202.db2.gz VDSZQXWRCBMVKX-UHFFFAOYSA-N 0 0 189.218 2.168 10 0 AEAERN CCNc1nncc2ccccc12 35121048 167316210 /nfs/dbraw/zinc/31/62/10/167316210.db2.gz CRUONNUVJWGWCK-UHFFFAOYSA-N 0 0 173.219 2.062 10 0 AEAERN CCO/C(Cl)=C/Cl 34129947 167316275 /nfs/dbraw/zinc/31/62/75/167316275.db2.gz CIVPSPVLMYVHNC-ONEGZZNKSA-N 0 0 140.997 2.299 10 0 AEAERN CCNc1noc(C)c1Cl 45814164 167316321 /nfs/dbraw/zinc/31/63/21/167316321.db2.gz LUBHQPBLUOBWRU-UHFFFAOYSA-N 0 0 160.604 2.068 10 0 AEAERN CCNc1ncnc2sccc12 36803820 167316391 /nfs/dbraw/zinc/31/63/91/167316391.db2.gz IEUCLUMWDJGURP-UHFFFAOYSA-N 0 0 179.248 2.123 10 0 AEAERN CCNc1nnc(C(C)C)s1 41650901 167316423 /nfs/dbraw/zinc/31/64/23/167316423.db2.gz FASHQVHNIZQUMO-UHFFFAOYSA-N 0 0 171.269 2.093 10 0 AEAERN CCOC(=N)c1ccc(F)c(C)c1 41048845 167316579 /nfs/dbraw/zinc/31/65/79/167316579.db2.gz ILRUTQOFFLRGDS-UHFFFAOYSA-N 0 0 181.210 2.496 10 0 AEAERN CCOC(=N)[C@H](O)c1ccccc1C 39134975 167317040 /nfs/dbraw/zinc/31/70/40/167317040.db2.gz KAZHXADIJIPYRT-SNVBAGLBSA-N 0 0 193.246 2.042 10 0 AEAERN CCOC(=O)/C=C(\C)c1cccnc1 39274824 167317073 /nfs/dbraw/zinc/31/70/73/167317073.db2.gz VMZIMOZQKLXCHR-VQHVLOKHSA-N 0 0 191.230 2.048 10 0 AEAERN CCOC(=N)c1ccc(O)c(Cl)c1 43477135 167317212 /nfs/dbraw/zinc/31/72/12/167317212.db2.gz YCBOEZZKMSWBKA-UHFFFAOYSA-N 0 0 199.637 2.407 10 0 AEAERN CCOC(=O)/C(C)=C/C(C)C 15120879 167317362 /nfs/dbraw/zinc/31/73/62/167317362.db2.gz AAYYTNPAPOADFH-SOFGYWHQSA-N 0 0 156.225 2.152 10 0 AEAERN CCOC(=N)c1ccc(OC)c(F)c1 39090580 167317392 /nfs/dbraw/zinc/31/73/92/167317392.db2.gz QVMUXRCBSLIMKC-UHFFFAOYSA-N 0 0 197.209 2.196 10 0 AEAERN CCOC(=N)c1ccc(OC)c(C)c1 50597264 167317429 /nfs/dbraw/zinc/31/74/29/167317429.db2.gz OOASMNLCWIQZGR-UHFFFAOYSA-N 0 0 193.246 2.365 10 0 AEAERN CCOC(=N)c1ccc(C)s1 37928122 167317456 /nfs/dbraw/zinc/31/74/56/167317456.db2.gz MMHYUCNIGSRDFV-UHFFFAOYSA-N 0 0 169.249 2.418 10 0 AEAERN CCOC(=N)c1cc(C)c(O)c(C)c1 37928155 167317566 /nfs/dbraw/zinc/31/75/66/167317566.db2.gz JPXOIRVDGYPRBX-UHFFFAOYSA-N 0 0 193.246 2.371 10 0 AEAERN CCOC(=N)c1ccc(C)c(F)c1 32174324 167317666 /nfs/dbraw/zinc/31/76/66/167317666.db2.gz RBZSWQFAHRIZCR-UHFFFAOYSA-N 0 0 181.210 2.496 10 0 AEAERN CCOC(=N)Cc1cccc(F)c1 38760913 167318039 /nfs/dbraw/zinc/31/80/39/167318039.db2.gz LLUXASXUXLRALE-UHFFFAOYSA-N 0 0 181.210 2.382 10 0 AEAERN CCOC(=N)c1c(F)cccc1F 34135821 167318050 /nfs/dbraw/zinc/31/80/50/167318050.db2.gz AAEAROPSJVBKTF-UHFFFAOYSA-N 0 0 185.173 2.327 10 0 AEAERN CCOC(=N)[C@@H](C)CC 51690517 167318402 /nfs/dbraw/zinc/31/84/02/167318402.db2.gz UQHLOMKXLAUTCG-LURJTMIESA-N 0 0 129.203 2.046 10 0 AEAERN CCOC(=N)COc1ccccc1 34588004 167318487 /nfs/dbraw/zinc/31/84/87/167318487.db2.gz SUFJOPUWZVEIHY-UHFFFAOYSA-N 0 0 179.219 2.079 10 0 AEAERN CCOC(=N)COc1cccc(F)c1 39090584 167318494 /nfs/dbraw/zinc/31/84/94/167318494.db2.gz BYIBRECDAAAYAB-UHFFFAOYSA-N 0 0 197.209 2.218 10 0 AEAERN CCOC(=N)[C@@H](O)c1ccccc1C 39134976 167318669 /nfs/dbraw/zinc/31/86/69/167318669.db2.gz KAZHXADIJIPYRT-JTQLQIEISA-N 0 0 193.246 2.042 10 0 AEAERN CCOC(=N)c1cc(F)cc(F)c1 43388101 167318675 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/nfs/dbraw/zinc/38/56/62/167385662.db2.gz AOHHIQKRDXIYCP-UHFFFAOYSA-N 0 0 194.278 2.229 10 0 AEAERN CCOCCC[C@@H](O)C(C)(C)C 43657606 167386203 /nfs/dbraw/zinc/38/62/03/167386203.db2.gz UMDNFBFFXNNWGA-SECBINFHSA-N 0 0 174.284 2.210 10 0 AEAERN CCOCCC[C@H](C)CC(C)=O 62718471 167386245 /nfs/dbraw/zinc/38/62/45/167386245.db2.gz WMOHEQNNSKOUAC-VIFPVBQESA-N 0 0 172.268 2.418 10 0 AEAERN CCOCCC[C@@H](C)CC(C)=O 62718468 167386269 /nfs/dbraw/zinc/38/62/69/167386269.db2.gz WMOHEQNNSKOUAC-SECBINFHSA-N 0 0 172.268 2.418 10 0 AEAERN CCOCCC1(F)CCC1 15202712 167386516 /nfs/dbraw/zinc/38/65/16/167386516.db2.gz FMTHIMWHLCPPEA-UHFFFAOYSA-N 0 0 146.205 2.305 10 0 AEAERN CCOCCNc1cccc(F)c1 35097995 167391365 /nfs/dbraw/zinc/39/13/65/167391365.db2.gz IPGNVVFHYBRBRJ-UHFFFAOYSA-N 0 0 183.226 2.274 10 0 AEAERN CCOCCNc1cccc(C)c1 35097977 167391612 /nfs/dbraw/zinc/39/16/12/167391612.db2.gz DNQVTOOIVZMJMO-UHFFFAOYSA-N 0 0 179.263 2.443 10 0 AEAERN CCOCCNc1ccc(C)cc1 35097988 167391634 /nfs/dbraw/zinc/39/16/34/167391634.db2.gz ODZIZPZRSGOGOG-UHFFFAOYSA-N 0 0 179.263 2.443 10 0 AEAERN CCOCCNc1ccc(F)cc1 35097983 167391882 /nfs/dbraw/zinc/39/18/82/167391882.db2.gz TVHKOUVRTBDWFQ-UHFFFAOYSA-N 0 0 183.226 2.274 10 0 AEAERN CCOCCNc1ccc(OC)cc1 35097991 167392646 /nfs/dbraw/zinc/39/26/46/167392646.db2.gz DYYVBPCKZIFSDM-UHFFFAOYSA-N 0 0 195.262 2.144 10 0 AEAERN CCOCCNc1ccccc1 33506380 167392654 /nfs/dbraw/zinc/39/26/54/167392654.db2.gz JLYJJRHBGXOWSQ-UHFFFAOYSA-N 0 0 165.236 2.135 10 0 AEAERN CCOCCNc1ccccc1C 35097978 167392823 /nfs/dbraw/zinc/39/28/23/167392823.db2.gz NNJBIWCKZRVSLJ-UHFFFAOYSA-N 0 0 179.263 2.443 10 0 AEAERN CCOCCNc1ccccc1F 35098017 167392915 /nfs/dbraw/zinc/39/29/15/167392915.db2.gz YPJIHRWNHIUYQD-UHFFFAOYSA-N 0 0 183.226 2.274 10 0 AEAERN CCOCC[C@H](CC)C(C)=O 38004238 167393207 /nfs/dbraw/zinc/39/32/07/167393207.db2.gz OHVHGCCUIQYQEX-VIFPVBQESA-N 0 0 158.241 2.028 10 0 AEAERN CCOCC[C@H](C(C)=O)C(C)C 61687948 167393310 /nfs/dbraw/zinc/39/33/10/167393310.db2.gz LTWRMACEPQPTBP-JTQLQIEISA-N 0 0 172.268 2.274 10 0 AEAERN CCOCC[C@H]1CCCCC[C@H]1O 44469874 167393646 /nfs/dbraw/zinc/39/36/46/167393646.db2.gz MFPYSQLCNQHAOA-GHMZBOCLSA-N 0 0 186.295 2.354 10 0 AEAERN CCOCC[C@@H](CC)C(C)=O 38004239 167393669 /nfs/dbraw/zinc/39/36/69/167393669.db2.gz OHVHGCCUIQYQEX-SECBINFHSA-N 0 0 158.241 2.028 10 0 AEAERN CCOCOc1cccc(C)c1 32302071 167393853 /nfs/dbraw/zinc/39/38/53/167393853.db2.gz QRHYKOFEODRRLQ-UHFFFAOYSA-N 0 0 166.220 2.368 10 0 AEAERN CCOCP(=O)(CC)CC 2391290 167394189 /nfs/dbraw/zinc/39/41/89/167394189.db2.gz FTDUBPXMCXLVJI-UHFFFAOYSA-N 0 0 164.185 2.383 10 0 AEAERN CCOCCOc1ccccc1 41391653 167394462 /nfs/dbraw/zinc/39/44/62/167394462.db2.gz DIUJNXCPDGGFQD-UHFFFAOYSA-N 0 0 166.220 2.102 10 0 AEAERN CCOCC[C@H]1CCCCC1=O 42401438 167394579 /nfs/dbraw/zinc/39/45/79/167394579.db2.gz LJBXRUAVUOUIRE-SECBINFHSA-N 0 0 170.252 2.172 10 0 AEAERN CCOCC[C@@H]1CCCCC[C@H]1O 44469871 167394687 /nfs/dbraw/zinc/39/46/87/167394687.db2.gz MFPYSQLCNQHAOA-WDEREUQCSA-N 0 0 186.295 2.354 10 0 AEAERN CCOCC[C@@H]1CCCCC[C@@H]1O 44469865 167394860 /nfs/dbraw/zinc/39/48/60/167394860.db2.gz MFPYSQLCNQHAOA-QWRGUYRKSA-N 0 0 186.295 2.354 10 0 AEAERN CCOCC[C@@H](C(C)=O)C(C)C 61687949 167394886 /nfs/dbraw/zinc/39/48/86/167394886.db2.gz LTWRMACEPQPTBP-SNVBAGLBSA-N 0 0 172.268 2.274 10 0 AEAERN CCOCCOc1ccc(NC)cc1 38056896 167395477 /nfs/dbraw/zinc/39/54/77/167395477.db2.gz MHTLYACUMXTCMY-UHFFFAOYSA-N 0 0 195.262 2.144 10 0 AEAERN CCOCC[C@H]1CCCCC[C@@H]1O 44469868 167395771 /nfs/dbraw/zinc/39/57/71/167395771.db2.gz MFPYSQLCNQHAOA-MNOVXSKESA-N 0 0 186.295 2.354 10 0 AEAERN CCOCC[C@@H]1CCCCC1=O 42401436 167395830 /nfs/dbraw/zinc/39/58/30/167395830.db2.gz LJBXRUAVUOUIRE-VIFPVBQESA-N 0 0 170.252 2.172 10 0 AEAERN CCOC[C@@H]1CCc2ccccc2N1 20247035 167396052 /nfs/dbraw/zinc/39/60/52/167396052.db2.gz BCOHJVNSIHBVPO-NSHDSACASA-N 0 0 191.274 2.450 10 0 AEAERN CCOC[C@H](C)Nc1ccccc1N 44689963 167396098 /nfs/dbraw/zinc/39/60/98/167396098.db2.gz GJJWZYSWRDVLNH-VIFPVBQESA-N 0 0 194.278 2.106 10 0 AEAERN CCOC[C@@H](O)c1cccc(C)c1 44193047 167396283 /nfs/dbraw/zinc/39/62/83/167396283.db2.gz QZQGPUSNJAWPEF-LLVKDONJSA-N 0 0 180.247 2.065 10 0 AEAERN CCOC[C@@H](O)c1cc(C)ccc1C 44193385 167396388 /nfs/dbraw/zinc/39/63/88/167396388.db2.gz AJLAYHRIJXIMEV-GFCCVEGCSA-N 0 0 194.274 2.373 10 0 AEAERN CCOC[C@H](C)Nc1cccc(N)c1 44690088 167396402 /nfs/dbraw/zinc/39/64/02/167396402.db2.gz TVUFHCFTIINHCK-VIFPVBQESA-N 0 0 194.278 2.106 10 0 AEAERN CCOC[C@@H](C)Nc1cccc(F)n1 44682163 167396444 /nfs/dbraw/zinc/39/64/44/167396444.db2.gz YFNUBSINITVOCS-MRVPVSSYSA-N 0 0 198.241 2.058 10 0 AEAERN CCOC[C@@H](C)n1cc[nH]c1=S 44726287 167396455 /nfs/dbraw/zinc/39/64/55/167396455.db2.gz KEXCOCWJMDBWRN-SSDOTTSWSA-N 0 0 186.280 2.143 10 0 AEAERN CCOC[C@H](O)c1ccc(C)cc1 44193335 167396564 /nfs/dbraw/zinc/39/65/64/167396564.db2.gz GVGATSGLVNFRFW-NSHDSACASA-N 0 0 180.247 2.065 10 0 AEAERN CCOC[C@H](C)n1cc[nH]c1=S 44726288 167396587 /nfs/dbraw/zinc/39/65/87/167396587.db2.gz KEXCOCWJMDBWRN-ZETCQYMHSA-N 0 0 186.280 2.143 10 0 AEAERN CCOC[C@H](O)c1ccc(C)c(C)c1 44193155 167396601 /nfs/dbraw/zinc/39/66/01/167396601.db2.gz QYTTZYWOXANJRI-LBPRGKRZSA-N 0 0 194.274 2.373 10 0 AEAERN CCOC[C@H](O)c1ccccc1C 44193198 167396645 /nfs/dbraw/zinc/39/66/45/167396645.db2.gz PCCXYHKWHOUJPF-NSHDSACASA-N 0 0 180.247 2.065 10 0 AEAERN CCOC[C@@H](O)c1ccc(C)cc1 44193338 167396735 /nfs/dbraw/zinc/39/67/35/167396735.db2.gz GVGATSGLVNFRFW-LLVKDONJSA-N 0 0 180.247 2.065 10 0 AEAERN CCOC[C@@H](O)c1ccccc1C 44193201 167396751 /nfs/dbraw/zinc/39/67/51/167396751.db2.gz PCCXYHKWHOUJPF-LLVKDONJSA-N 0 0 180.247 2.065 10 0 AEAERN CCOC[C@H](C)Nc1cccc(F)n1 44682166 167396825 /nfs/dbraw/zinc/39/68/25/167396825.db2.gz YFNUBSINITVOCS-QMMMGPOBSA-N 0 0 198.241 2.058 10 0 AEAERN CCOC[C@H](C)Nc1ncccc1C 51041178 167397019 /nfs/dbraw/zinc/39/70/19/167397019.db2.gz IMZBGXAXWXZAGX-JTQLQIEISA-N 0 0 194.278 2.227 10 0 AEAERN CCOC[C@@H](C)Nc1ncccc1C 51041177 167397041 /nfs/dbraw/zinc/39/70/41/167397041.db2.gz IMZBGXAXWXZAGX-SNVBAGLBSA-N 0 0 194.278 2.227 10 0 AEAERN CCOC[C@@H](O)c1ccc(CC)cc1 44193086 167397046 /nfs/dbraw/zinc/39/70/46/167397046.db2.gz AKEGPAGYZINGGT-GFCCVEGCSA-N 0 0 194.274 2.319 10 0 AEAERN CCOC[C@@H](C)Nc1cccc(N)c1 44690084 167397074 /nfs/dbraw/zinc/39/70/74/167397074.db2.gz TVUFHCFTIINHCK-SECBINFHSA-N 0 0 194.278 2.106 10 0 AEAERN CCOC[C@@H](C)Nc1ccc(F)cn1 44725913 167397130 /nfs/dbraw/zinc/39/71/30/167397130.db2.gz GPQNLYBAISUAIJ-MRVPVSSYSA-N 0 0 198.241 2.058 10 0 AEAERN CCOC[C@H](O)c1cccc(C)c1 44193044 167397233 /nfs/dbraw/zinc/39/72/33/167397233.db2.gz QZQGPUSNJAWPEF-NSHDSACASA-N 0 0 180.247 2.065 10 0 AEAERN CCOC[C@H]1CCc2ccccc2N1 20247038 167397236 /nfs/dbraw/zinc/39/72/36/167397236.db2.gz BCOHJVNSIHBVPO-LLVKDONJSA-N 0 0 191.274 2.450 10 0 AEAERN CCOC[C@@H](O)c1ccc(C)c(C)c1 44193158 167397307 /nfs/dbraw/zinc/39/73/07/167397307.db2.gz QYTTZYWOXANJRI-GFCCVEGCSA-N 0 0 194.274 2.373 10 0 AEAERN CCOC[C@H](O)c1ccc(CC)cc1 44193089 167397569 /nfs/dbraw/zinc/39/75/69/167397569.db2.gz AKEGPAGYZINGGT-LBPRGKRZSA-N 0 0 194.274 2.319 10 0 AEAERN CCOC[C@H](C)Nc1ccc(F)cn1 44725914 167397739 /nfs/dbraw/zinc/39/77/39/167397739.db2.gz GPQNLYBAISUAIJ-QMMMGPOBSA-N 0 0 198.241 2.058 10 0 AEAERN CCOC[C@@H](C)Nc1ccc(C)cn1 44726101 167397749 /nfs/dbraw/zinc/39/77/49/167397749.db2.gz LBSDYORHNQLAMF-SNVBAGLBSA-N 0 0 194.278 2.227 10 0 AEAERN CCOC[C@H](O)c1ccc(C)cc1C 44193503 167397882 /nfs/dbraw/zinc/39/78/82/167397882.db2.gz IMNVIAHUHUSPQK-LBPRGKRZSA-N 0 0 194.274 2.373 10 0 AEAERN CCOC[C@H](C)Nc1ccc(C)cn1 44726102 167397956 /nfs/dbraw/zinc/39/79/56/167397956.db2.gz LBSDYORHNQLAMF-JTQLQIEISA-N 0 0 194.278 2.227 10 0 AEAERN CCOC[C@@H](C)Nc1ccccc1N 44689959 167398246 /nfs/dbraw/zinc/39/82/46/167398246.db2.gz GJJWZYSWRDVLNH-SECBINFHSA-N 0 0 194.278 2.106 10 0 AEAERN CCOC[C@@H](O)c1ccc(C)cc1C 44193506 167398277 /nfs/dbraw/zinc/39/82/77/167398277.db2.gz IMNVIAHUHUSPQK-GFCCVEGCSA-N 0 0 194.274 2.373 10 0 AEAERN CCOCc1cc(N)ccc1Cl 37403232 167398532 /nfs/dbraw/zinc/39/85/32/167398532.db2.gz GXTJALZQUCQSQO-UHFFFAOYSA-N 0 0 185.654 2.459 10 0 AEAERN CCOP(=O)(OCC)C(=O)OC 2168391 167398595 /nfs/dbraw/zinc/39/85/95/167398595.db2.gz MLJVWFGPQCOELH-UHFFFAOYSA-N 0 0 196.139 2.019 10 0 AEAERN CCOCc1ccc(Cl)c(N)c1 36964735 167398636 /nfs/dbraw/zinc/39/86/36/167398636.db2.gz QOOKNQWCWRMCBR-UHFFFAOYSA-N 0 0 185.654 2.459 10 0 AEAERN CCOP1CC=C(C)C1 2391360 167398982 /nfs/dbraw/zinc/39/89/82/167398982.db2.gz FLCKLBWHXPHVLB-UHFFFAOYSA-N 0 0 144.154 2.380 10 0 AEAERN CCOCc1csc(C=O)c1 16943357 167399266 /nfs/dbraw/zinc/39/92/66/167399266.db2.gz PJYKEQPBTWGBOY-UHFFFAOYSA-N 0 0 170.233 2.097 10 0 AEAERN CCOCc1ccc(C=O)s1 16943096 167399285 /nfs/dbraw/zinc/39/92/85/167399285.db2.gz UKGVQWJFPZSDSO-UHFFFAOYSA-N 0 0 170.233 2.097 10 0 AEAERN CCOCn1cnc2ccccc21 95924184 167399477 /nfs/dbraw/zinc/39/94/77/167399477.db2.gz BOKYYFVSSFBACN-UHFFFAOYSA-N 0 0 176.219 2.030 10 0 AEAERN CCOCc1nc2cc(C)ccc2[nH]1 41043056 167399483 /nfs/dbraw/zinc/39/94/83/167399483.db2.gz MRRKYARCELLCEE-UHFFFAOYSA-N 0 0 190.246 2.408 10 0 AEAERN CCOCc1ccc(N)cc1Cl 49963656 167399682 /nfs/dbraw/zinc/39/96/82/167399682.db2.gz JWSMJXHZRJJEHF-UHFFFAOYSA-N 0 0 185.654 2.459 10 0 AEAERN CCOCc1ccc(Cl)cc1N 50443464 167399862 /nfs/dbraw/zinc/39/98/62/167399862.db2.gz SAACSBHUGHEDFU-UHFFFAOYSA-N 0 0 185.654 2.459 10 0 AEAERN CCO[C@@H](C)[C@H](O)c1ccccc1 44193347 167402240 /nfs/dbraw/zinc/40/22/40/167402240.db2.gz OLIBIXULGFQTAV-ONGXEEELSA-N 0 0 180.247 2.145 10 0 AEAERN CCO[C@@H]1C=Cc2ccccc2O1 200652480 167402944 /nfs/dbraw/zinc/40/29/44/167402944.db2.gz UDBCGYRDBYCHAZ-NSHDSACASA-N 0 0 176.215 2.455 10 0 AEAERN CCO[C@@H]1O[C@@H](C)C[C@H]1C(C)C 39104580 167404601 /nfs/dbraw/zinc/40/46/01/167404601.db2.gz FSQVZRUCDHIMTC-LPEHRKFASA-N 0 0 172.268 2.430 10 0 AEAERN CCO[C@@H]1O[C@@H](C)C[C@@H]1C(C)C 39104582 167404857 /nfs/dbraw/zinc/40/48/57/167404857.db2.gz FSQVZRUCDHIMTC-IVZWLZJFSA-N 0 0 172.268 2.430 10 0 AEAERN 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37745618 167496383 /nfs/dbraw/zinc/49/63/83/167496383.db2.gz LTKHKGAPVGSECA-RKDXNWHRSA-N 0 0 144.258 2.440 10 0 AEAERN CC[C@@H](C)c1cncc(C=O)c1 82404547 167496574 /nfs/dbraw/zinc/49/65/74/167496574.db2.gz FYFLHAXAXZQCOG-MRVPVSSYSA-N 0 0 163.220 2.408 10 0 AEAERN CC[C@@H](C)[S@](=O)c1ccccc1N 42194293 167497063 /nfs/dbraw/zinc/49/70/63/167497063.db2.gz MLHKVWOITUMHSI-AMIZOPFISA-N 0 0 197.303 2.175 10 0 AEAERN CC[C@@H](C)c1cccc(N)n1 82408367 167497611 /nfs/dbraw/zinc/49/76/11/167497611.db2.gz CMYJFXHUXYMLBL-SSDOTTSWSA-N 0 0 150.225 2.177 10 0 AEAERN CC[C@@H](C)c1nc2cccnc2[nH]1 44265190 167498456 /nfs/dbraw/zinc/49/84/56/167498456.db2.gz CMVMCDABPDXTIJ-SSDOTTSWSA-N 0 0 175.235 2.471 10 0 AEAERN CC[C@@H](C)n1nc(C)c(C)c1N 45628382 167498725 /nfs/dbraw/zinc/49/87/25/167498725.db2.gz NMLYHDNYJWBQKO-ZCFIWIBFSA-N 0 0 167.256 2.053 10 0 AEAERN CC[C@@H](C)n1ncc(C(C)=O)c1C 40930759 167499174 /nfs/dbraw/zinc/49/91/74/167499174.db2.gz MTEXFXVNWRLKHV-SSDOTTSWSA-N 0 0 180.251 2.365 10 0 AEAERN CC[C@@H](C)c1noc(Cl)n1 51690508 167499764 /nfs/dbraw/zinc/49/97/64/167499764.db2.gz OGFBEIOULLHHQG-SCSAIBSYSA-N 0 0 160.604 2.237 10 0 AEAERN CC[C@@H](C)c1nc(C=O)cs1 51690618 167500044 /nfs/dbraw/zinc/50/00/44/167500044.db2.gz PTCGFXMFOSORJQ-ZCFIWIBFSA-N 0 0 169.249 2.469 10 0 AEAERN CC[C@@H](C)n1c(CO)c[nH]c1=S 19724496 167500452 /nfs/dbraw/zinc/50/04/52/167500452.db2.gz DWCHOOYBPXHXAV-ZCFIWIBFSA-N 0 0 186.280 2.009 10 0 AEAERN CCNc1ccc(CSC)cn1 50839178 167311210 /nfs/dbraw/zinc/31/12/10/167311210.db2.gz PNLMORBCNREQNV-UHFFFAOYSA-N 0 0 182.292 2.376 10 0 AEAERN CCNc1cccc(N)c1C 62724072 167311259 /nfs/dbraw/zinc/31/12/59/167311259.db2.gz RSEQTXVOGRHYLK-UHFFFAOYSA-N 0 0 150.225 2.009 10 0 AEAERN CCNc1ccc(N)cc1C 19801961 167311282 /nfs/dbraw/zinc/31/12/82/167311282.db2.gz AHCDXLAGLYNTIA-UHFFFAOYSA-N 0 0 150.225 2.009 10 0 AEAERN CCNc1ccc2c(c1)NC(=O)CC2 83253714 167311372 /nfs/dbraw/zinc/31/13/72/167311372.db2.gz NALZHODJUDLYRH-UHFFFAOYSA-N 0 0 190.246 2.003 10 0 AEAERN CC[C@@H](CCCOC)C(C)=O 38004192 167506501 /nfs/dbraw/zinc/50/65/01/167506501.db2.gz WFHZQJXXFPMHDX-VIFPVBQESA-N 0 0 158.241 2.028 10 0 AEAERN CC[C@@H](CCOC(C)C)[C@@H](C)O 43657230 167507154 /nfs/dbraw/zinc/50/71/54/167507154.db2.gz CUHDOEKDKGZNAE-ZJUUUORDSA-N 0 0 174.284 2.209 10 0 AEAERN CC[C@@H](CC1CCOCC1)[C@@H](C)O 52175110 167507885 /nfs/dbraw/zinc/50/78/85/167507885.db2.gz LLPVEOFEMIPCAU-KOLCDFICSA-N 0 0 186.295 2.210 10 0 AEAERN CC[C@@H](CO)Nc1ccccc1F 38119970 167514959 /nfs/dbraw/zinc/51/49/59/167514959.db2.gz KSZUGQZQECDZGH-QMMMGPOBSA-N 0 0 183.226 2.009 10 0 AEAERN CC[C@@H](Nc1ccncn1)C(C)C 42590804 167533964 /nfs/dbraw/zinc/53/39/64/167533964.db2.gz PWABADQRZVHKPJ-SECBINFHSA-N 0 0 179.267 2.323 10 0 AEAERN CC[C@@H](O)/C=C/c1ccco1 90413831 167535108 /nfs/dbraw/zinc/53/51/08/167535108.db2.gz OUHUWQKOASKGJD-HQZHTGGTSA-N 0 0 152.193 2.064 10 0 AEAERN CC[C@@H](O)CCc1cccc(OC)c1 43657740 167535364 /nfs/dbraw/zinc/53/53/64/167535364.db2.gz USSKSFZFQPBAKA-LLVKDONJSA-N 0 0 194.274 2.399 10 0 AEAERN CC[C@@H](NOC)c1ccccc1 95725571 167535921 /nfs/dbraw/zinc/53/59/21/167535921.db2.gz LNJSRAUBXRSDCU-SNVBAGLBSA-N 0 0 165.236 2.289 10 0 AEAERN CC[C@@H](O)CNc1ccccc1F 37688557 167536618 /nfs/dbraw/zinc/53/66/18/167536618.db2.gz DXKWQPYYZONXQK-MRVPVSSYSA-N 0 0 183.226 2.009 10 0 AEAERN CC[C@@H](O)Cc1cccs1 34291056 167537355 /nfs/dbraw/zinc/53/73/55/167537355.db2.gz XBDSIAIDHSEHNY-SSDOTTSWSA-N 0 0 156.250 2.062 10 0 AEAERN CC[C@@H](O)Cc1ccc(F)cc1F 50885784 167537403 /nfs/dbraw/zinc/53/74/03/167537403.db2.gz YYEXOBWXMCDDFU-SECBINFHSA-N 0 0 186.201 2.278 10 0 AEAERN CC[C@@H](O)COC1CCCCCC1 50182231 167537920 /nfs/dbraw/zinc/53/79/20/167537920.db2.gz YNAXLNVCBOXXST-SNVBAGLBSA-N 0 0 186.295 2.497 10 0 AEAERN CC[C@@H](O)CO[C@H]1CCCC[C@@H]1C 50182175 167538411 /nfs/dbraw/zinc/53/84/11/167538411.db2.gz TWGWIDSUSCNOKY-AXFHLTTASA-N 0 0 186.295 2.353 10 0 AEAERN CC[C@@H](O)COCCCC(C)C 50182211 167538553 /nfs/dbraw/zinc/53/85/53/167538553.db2.gz XUJPDELJKWGPPH-SNVBAGLBSA-N 0 0 174.284 2.210 10 0 AEAERN CC[C@@H](O)c1cccc(OC)c1OC 34109330 167538976 /nfs/dbraw/zinc/53/89/76/167538976.db2.gz VHWHGXSOTDWSAU-SECBINFHSA-N 0 0 196.246 2.147 10 0 AEAERN CC[C@@H](O)c1ccc2c(c1)CCCO2 40264678 167539312 /nfs/dbraw/zinc/53/93/12/167539312.db2.gz AAJZRIOOKMFXJI-LLVKDONJSA-N 0 0 192.258 2.455 10 0 AEAERN CC[C@@H](O)[C@H](C)Oc1ccccc1 44212939 167539467 /nfs/dbraw/zinc/53/94/67/167539467.db2.gz QRRVMHUOJVBNCC-GXSJLCMTSA-N 0 0 180.247 2.225 10 0 AEAERN CC[C@@H](O)c1ccc(OC)cc1F 40263421 167540290 /nfs/dbraw/zinc/54/02/90/167540290.db2.gz WHTGLXBEAUROBC-SNVBAGLBSA-N 0 0 184.210 2.278 10 0 AEAERN CC[C@@H](O)c1nc2ccccc2n1C 6745571 167540463 /nfs/dbraw/zinc/54/04/63/167540463.db2.gz GWLPEQPQUIXOPZ-SNVBAGLBSA-N 0 0 190.246 2.017 10 0 AEAERN CC[C@@H](O)[C@H](C)n1nc(C)c(C)c1C 44187131 167541066 /nfs/dbraw/zinc/54/10/66/167541066.db2.gz UJNGORFQZIILCI-WDEREUQCSA-N 0 0 196.294 2.140 10 0 AEAERN CC[C@@H]1C(=O)O[C@@H]2CCCC[C@H]12 256009812 167541488 /nfs/dbraw/zinc/54/14/88/167541488.db2.gz WUEULGLRESFOFL-DJLDLDEBSA-N 0 0 168.236 2.128 10 0 AEAERN CC[C@@H]1C(=O)Oc2ccccc21 38522824 167541730 /nfs/dbraw/zinc/54/17/30/167541730.db2.gz JGCHWMJDZMOREB-ZETCQYMHSA-N 0 0 162.188 2.099 10 0 AEAERN CC[C@@H](c1ccco1)n1nccc1N 54106689 167542610 /nfs/dbraw/zinc/54/26/10/167542610.db2.gz JVXGJRNCIVEWHV-QMMMGPOBSA-N 0 0 191.234 2.058 10 0 AEAERN CC[C@@H]1C(=O)Nc2ccc(OC)cc21 41205234 167542767 /nfs/dbraw/zinc/54/27/67/167542767.db2.gz IFIIQZOXWTXBQI-QMMMGPOBSA-N 0 0 191.230 2.141 10 0 AEAERN CC[C@@H]1C(=O)[C@@H](C(C)(C)O)CC[C@H]1C 39123673 167543126 /nfs/dbraw/zinc/54/31/26/167543126.db2.gz HCGYEWLHQODJKS-UTLUCORTSA-N 0 0 198.306 2.399 10 0 AEAERN CC[C@@H]1C(=O)[C@@H](C(C)(C)O)CC[C@@H]1C 39123675 167543274 /nfs/dbraw/zinc/54/32/74/167543274.db2.gz HCGYEWLHQODJKS-GUBZILKMSA-N 0 0 198.306 2.399 10 0 AEAERN CC[C@@H]1C(=O)OC12CCCCC2 15779273 167543980 /nfs/dbraw/zinc/54/39/80/167543980.db2.gz TYLHXPFCFTUBCS-MRVPVSSYSA-N 0 0 168.236 2.272 10 0 AEAERN CC[C@@H]1C=NC(C)(C)S1 33883241 167544767 /nfs/dbraw/zinc/54/47/67/167544767.db2.gz DKGWHMFICNUFJZ-ZCFIWIBFSA-N 0 0 143.255 2.319 10 0 AEAERN CC[C@@H]1CC(=O)C[C@H]1C 76571438 167544947 /nfs/dbraw/zinc/54/49/47/167544947.db2.gz NRPKBHXHDVUDQQ-RNFRBKRXSA-N 0 0 126.199 2.012 10 0 AEAERN CC[C@@H]1C=N[C@@H](CC)S1 33883239 167545644 /nfs/dbraw/zinc/54/56/44/167545644.db2.gz RSABWSHGINRJDU-RNFRBKRXSA-N 0 0 143.255 2.319 10 0 AEAERN CC[C@@H]1CCCCN1c1nncs1 334758018 167545900 /nfs/dbraw/zinc/54/59/00/167545900.db2.gz FTJVWJAHJFEKRG-MRVPVSSYSA-N 0 0 197.307 2.307 10 0 AEAERN CC[C@@H]1CCC(=O)[C@@H](C)C1 43653552 167546478 /nfs/dbraw/zinc/54/64/78/167546478.db2.gz MWSNIDPLIQQYPZ-JGVFFNPUSA-N 0 0 140.226 2.402 10 0 AEAERN CC[C@@H]1C=CCC[C@H]1[C@@H](C)O 32225208 167546850 /nfs/dbraw/zinc/54/68/50/167546850.db2.gz QOPGELKKZMLKSV-BBBLOLIVSA-N 0 0 154.253 2.360 10 0 AEAERN CC[C@@H]1CC(CC)(CC)[C@H](O)O1 195990309 167546890 /nfs/dbraw/zinc/54/68/90/167546890.db2.gz QBGPDYZPBTZTOT-RKDXNWHRSA-N 0 0 172.268 2.310 10 0 AEAERN CC[C@@H]1CCCN1C(=O)[C@H]1CC12CC2 335040637 167549334 /nfs/dbraw/zinc/54/93/34/167549334.db2.gz BJEQOZRVXYJLLM-NXEZZACHSA-N 0 0 193.290 2.188 10 0 AEAERN CC[C@@H]1CCCN(C(=O)C2=CCC2)C1 335665555 167550570 /nfs/dbraw/zinc/55/05/70/167550570.db2.gz QANBXTHJBKEYQH-SNVBAGLBSA-N 0 0 193.290 2.355 10 0 AEAERN CC[C@@H]1CCC[C@@](C)(O)C1 39017203 167552007 /nfs/dbraw/zinc/55/20/07/167552007.db2.gz YYOCUUHEIHOPIG-RKDXNWHRSA-N 0 0 142.242 2.338 10 0 AEAERN CC[C@@H]1CCCN1c1ccc(C=O)o1 50544187 167552016 /nfs/dbraw/zinc/55/20/16/167552016.db2.gz VUYMMUHUFZZXRW-SECBINFHSA-N 0 0 193.246 2.471 10 0 AEAERN CC[C@@H]1CCC[C@@H]1C(=O)N1CC(C)C1 335575832 167552462 /nfs/dbraw/zinc/55/24/62/167552462.db2.gz QMZCOUSZCYXDIT-MNOVXSKESA-N 0 0 195.306 2.291 10 0 AEAERN CC[C@@H]1CCN1C(=O)CC1CCC1 334329247 167553056 /nfs/dbraw/zinc/55/30/56/167553056.db2.gz NONNXORRHADOAB-SNVBAGLBSA-N 0 0 181.279 2.188 10 0 AEAERN CC[C@@H]1CCN1C(=O)[C@H](C)C1CC1 336362319 167553095 /nfs/dbraw/zinc/55/30/95/167553095.db2.gz PGPRMGZRHYUQSD-PSASIEDQSA-N 0 0 181.279 2.043 10 0 AEAERN CC[C@@H]1CCN1C(=O)C1CCCC1 336443857 167553126 /nfs/dbraw/zinc/55/31/26/167553126.db2.gz AABIIJKZHWFRJG-SNVBAGLBSA-N 0 0 181.279 2.188 10 0 AEAERN CC[C@@H]1CCN1C(=O)[C@@H](C)C(C)C 336325856 167553155 /nfs/dbraw/zinc/55/31/55/167553155.db2.gz HHJBYPRTUYCGOL-VHSXEESVSA-N 0 0 183.295 2.289 10 0 AEAERN CC[C@@H]1CCN1C(=O)C[C@H]1C=CCC1 334945183 167553212 /nfs/dbraw/zinc/55/32/12/167553212.db2.gz NNCNPUICOKWCGU-WDEREUQCSA-N 0 0 193.290 2.354 10 0 AEAERN CC[C@@H]1CCN1C(=O)C1=CCCC1 334372846 167553560 /nfs/dbraw/zinc/55/35/60/167553560.db2.gz SCSSMYVADSRRQS-SNVBAGLBSA-N 0 0 179.263 2.108 10 0 AEAERN CC[C@@H]1CCN1C(=O)[C@H](C)C1CCC1 334766475 167553568 /nfs/dbraw/zinc/55/35/68/167553568.db2.gz BNVSERVXBGVVNU-MWLCHTKSSA-N 0 0 195.306 2.434 10 0 AEAERN CC[C@@H]1CCN1C(=O)NCC=C(C)C 336091148 167553689 /nfs/dbraw/zinc/55/36/89/167553689.db2.gz QCWBEFWNEKCHAA-SNVBAGLBSA-N 0 0 196.294 2.147 10 0 AEAERN CC[C@@H]1CCN1C(=O)c1cccs1 335956138 167553819 /nfs/dbraw/zinc/55/38/19/167553819.db2.gz BKDQXTKVKPDOCI-MRVPVSSYSA-N 0 0 195.287 2.373 10 0 AEAERN CC[C@@H]1CCN1C(=O)CC(C)C 335892268 167553982 /nfs/dbraw/zinc/55/39/82/167553982.db2.gz XKNRUTQPGWWHDH-SECBINFHSA-N 0 0 169.268 2.043 10 0 AEAERN CC[C@@H]1CC[C@@H](C)N1C(=O)C1=CCC1 334259035 167554040 /nfs/dbraw/zinc/55/40/40/167554040.db2.gz SWRASZCIDLZDOC-MWLCHTKSSA-N 0 0 193.290 2.496 10 0 AEAERN CC[C@@H]1CCN1C(=O)c1ccsc1 335107501 167554471 /nfs/dbraw/zinc/55/44/71/167554471.db2.gz JLDQKXMXTYHAAH-SECBINFHSA-N 0 0 195.287 2.373 10 0 AEAERN CC[C@@H]1CCN1C(=O)c1ccoc1C 334425917 167555545 /nfs/dbraw/zinc/55/55/45/167555545.db2.gz XYEPPTMNCSJUQI-SECBINFHSA-N 0 0 193.246 2.213 10 0 AEAERN CC[C@@H]1CCN1C(=O)[C@@H]1CC=CCC1 334393526 167555873 /nfs/dbraw/zinc/55/58/73/167555873.db2.gz AZMZDEAKWHZTHG-GHMZBOCLSA-N 0 0 193.290 2.354 10 0 AEAERN CC[C@@H]1CCN1c1ncc(Cl)cn1 306411597 167556511 /nfs/dbraw/zinc/55/65/11/167556511.db2.gz KLZFBMHETGRAFA-MRVPVSSYSA-N 0 0 197.669 2.119 10 0 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/nfs/dbraw/zinc/73/21/25/167732125.db2.gz QZNIBYGZUWPYFH-UHFFFAOYSA-N 0 0 178.231 2.466 10 0 AEAERN CCc1ccc(C(=O)C2CC2)cc1N 32008171 167732148 /nfs/dbraw/zinc/73/21/48/167732148.db2.gz QCBXWBRHMQWFPN-UHFFFAOYSA-N 0 0 189.258 2.424 10 0 AEAERN CCc1ccc(C(=O)CCOC)cc1 36180492 167732358 /nfs/dbraw/zinc/73/23/58/167732358.db2.gz MNXISBZBGLRWDP-UHFFFAOYSA-N 0 0 192.258 2.468 10 0 AEAERN CCc1ccc(C(=O)[C@H]2CCOC2)o1 51726409 167732379 /nfs/dbraw/zinc/73/23/79/167732379.db2.gz JMDLVACQSRCYIS-QMMMGPOBSA-N 0 0 194.230 2.061 10 0 AEAERN CCc1ccc(C(C)=O)c(C)n1 39071464 167732490 /nfs/dbraw/zinc/73/24/90/167732490.db2.gz KBGYONBZNKTSLD-UHFFFAOYSA-N 0 0 163.220 2.155 10 0 AEAERN CCc1ccc([C@H](C)O)s1 34464472 167741249 /nfs/dbraw/zinc/74/12/49/167741249.db2.gz JQOAZBQRPFZCTD-LURJTMIESA-N 0 0 156.250 2.364 10 0 AEAERN CCc1ccc([C@H](O)[C@@H](C)OC)cc1 44192564 167741695 /nfs/dbraw/zinc/74/16/95/167741695.db2.gz ZAETVTWJTAQRCN-BXKDBHETSA-N 0 0 194.274 2.317 10 0 AEAERN CCc1ccc([C@H](C)CO)cc1 41167855 167742330 /nfs/dbraw/zinc/74/23/30/167742330.db2.gz RDHUCNXHGFHDEZ-SECBINFHSA-N 0 0 164.248 2.345 10 0 AEAERN CCc1ccc2c(c1)CCC(=O)C2 33598695 167744276 /nfs/dbraw/zinc/74/42/76/167744276.db2.gz QHZMLDOCQPCBFG-UHFFFAOYSA-N 0 0 174.243 2.307 10 0 AEAERN CCc1ccc([C@H]2OCCN2C)cc1 49806707 167744440 /nfs/dbraw/zinc/74/44/40/167744440.db2.gz LWJKWXCEECZXOU-GFCCVEGCSA-N 0 0 191.274 2.210 10 0 AEAERN CCc1ccc2c(c1)NC[C@@H](C)O2 58235185 167744445 /nfs/dbraw/zinc/74/44/45/167744445.db2.gz JFDYRTLSUKCFDT-MRVPVSSYSA-N 0 0 177.247 2.442 10 0 AEAERN CCc1ccc2c(c1)C(=O)[C@@H](C)CN2 71481846 167744475 /nfs/dbraw/zinc/74/44/75/167744475.db2.gz QREMDMQGUWEPDG-QMMMGPOBSA-N 0 0 189.258 2.493 10 0 AEAERN CCc1ccc2c(c1)C[C@@H](C)C(=O)N2 49806448 167744498 /nfs/dbraw/zinc/74/44/98/167744498.db2.gz WHZOMAWVHSFLBR-MRVPVSSYSA-N 0 0 189.258 2.380 10 0 AEAERN CCc1ccc2c(c1)NC(=O)CC2 57935851 167744535 /nfs/dbraw/zinc/74/45/35/167744535.db2.gz DOPOXAUCYIJPJE-UHFFFAOYSA-N 0 0 175.231 2.134 10 0 AEAERN CCc1ccc2c(c1)CCC(=O)N2 62323017 167744538 /nfs/dbraw/zinc/74/45/38/167744538.db2.gz PTSGIMXZOZMTMK-UHFFFAOYSA-N 0 0 175.231 2.134 10 0 AEAERN CCc1ccc2n[nH]cc2c1 2547559 167744658 /nfs/dbraw/zinc/74/46/58/167744658.db2.gz YTGIWZVLLCQQPW-UHFFFAOYSA-N 0 0 146.193 2.125 10 0 AEAERN CCc1ccc2c(c1)[C@@H](C)C(=O)N2 41199238 167744766 /nfs/dbraw/zinc/74/47/66/167744766.db2.gz BBGBMZSSZMUWPG-SSDOTTSWSA-N 0 0 175.231 2.305 10 0 AEAERN CCc1ccc2c(c1)NC[C@H](C)O2 58235183 167745148 /nfs/dbraw/zinc/74/51/48/167745148.db2.gz JFDYRTLSUKCFDT-QMMMGPOBSA-N 0 0 177.247 2.442 10 0 AEAERN CCc1ccc([C@H]2NCCS2)o1 51723000 167745641 /nfs/dbraw/zinc/74/56/41/167745641.db2.gz SZNABGQIFNWNDV-VIFPVBQESA-N 0 0 183.276 2.177 10 0 AEAERN CCc1ccc2ccc(N)nc2c1 75562828 167747153 /nfs/dbraw/zinc/74/71/53/167747153.db2.gz ZRKIRMLDTOMGES-UHFFFAOYSA-N 0 0 172.231 2.379 10 0 AEAERN CCc1ccc2c(c1)[C@@H](O)CC2 19727080 167747529 /nfs/dbraw/zinc/74/75/29/167747529.db2.gz MJIWKOLEPAXEEM-NSHDSACASA-N 0 0 162.232 2.229 10 0 AEAERN CCc1cccc(/C=C/C(=O)OC)c1 95936188 167748321 /nfs/dbraw/zinc/74/83/21/167748321.db2.gz XGBGXXICVPOUDG-BQYQJAHWSA-N 0 0 190.242 2.435 10 0 AEAERN CCc1ccc2nccc(NN)c2c1 32099463 167748433 /nfs/dbraw/zinc/74/84/33/167748433.db2.gz URQKANYTGHECIS-UHFFFAOYSA-N 0 0 187.246 2.083 10 0 AEAERN CCc1cccc(CC)c1NCCO 49807175 167748781 /nfs/dbraw/zinc/74/87/81/167748781.db2.gz UECQFIDJHBZPOK-UHFFFAOYSA-N 0 0 193.290 2.216 10 0 AEAERN CCc1cccc(NCCCCO)c1 43445393 167748863 /nfs/dbraw/zinc/74/88/63/167748863.db2.gz LBWLLCQEYUWAKZ-UHFFFAOYSA-N 0 0 193.290 2.433 10 0 AEAERN CCc1cccc(OC2CC2)c1N 95712482 167749063 /nfs/dbraw/zinc/74/90/63/167749063.db2.gz BZDOPDDSXGCWOD-UHFFFAOYSA-N 0 0 177.247 2.372 10 0 AEAERN CCc1cccc(NCC(C)(C)O)c1 37692242 167749844 /nfs/dbraw/zinc/74/98/44/167749844.db2.gz MATFEZAUGFSQKP-UHFFFAOYSA-N 0 0 193.290 2.432 10 0 AEAERN CCc1cccc(N=O)n1 39050051 167750766 /nfs/dbraw/zinc/75/07/66/167750766.db2.gz NGRBZUZAYOHJPX-UHFFFAOYSA-N 0 0 136.154 2.042 10 0 AEAERN CCc1cccc2c1C(=O)CC2 39060448 167751004 /nfs/dbraw/zinc/75/10/04/167751004.db2.gz IZCAVGHDKBRJEE-UHFFFAOYSA-N 0 0 160.216 2.378 10 0 AEAERN CCc1cccc2c1N(C)CC2 39081521 167751204 /nfs/dbraw/zinc/75/12/04/167751204.db2.gz LRVNRYNOWLJYQM-UHFFFAOYSA-N 0 0 161.248 2.241 10 0 AEAERN CCc1cccc2c1NC[C@H]2CCO 71486879 167751721 /nfs/dbraw/zinc/75/17/21/167751721.db2.gz WQHGTUYNOTUVDR-SNVBAGLBSA-N 0 0 191.274 2.141 10 0 AEAERN CCc1cccc2ncoc12 62498454 167751723 /nfs/dbraw/zinc/75/17/23/167751723.db2.gz BJFLGBLHRCLKKB-UHFFFAOYSA-N 0 0 147.177 2.390 10 0 AEAERN CCc1cccc2c1NC[C@H](C)C2=O 71481843 167751775 /nfs/dbraw/zinc/75/17/75/167751775.db2.gz MXAZAQAOSFGOFH-QMMMGPOBSA-N 0 0 189.258 2.493 10 0 AEAERN CCc1ccccc1C(=S)NC 34622107 167752308 /nfs/dbraw/zinc/75/23/08/167752308.db2.gz FQTFCRLIFKHREI-UHFFFAOYSA-N 0 0 179.288 2.144 10 0 AEAERN CCc1cccc2nccnc12 39134310 167752502 /nfs/dbraw/zinc/75/25/02/167752502.db2.gz NIRFTVJZLBIWCB-UHFFFAOYSA-N 0 0 158.204 2.192 10 0 AEAERN CCc1ccccc1OCCCO 19786143 167752882 /nfs/dbraw/zinc/75/28/82/167752882.db2.gz XTMCBZXRCGHTII-UHFFFAOYSA-N 0 0 180.247 2.010 10 0 AEAERN CCc1ccccc1-n1ccc(N)n1 82391697 167753543 /nfs/dbraw/zinc/75/35/43/167753543.db2.gz KGTIYTCMZCMITQ-UHFFFAOYSA-N 0 0 187.246 2.017 10 0 AEAERN CCc1cccc2c1OC[C@H](C)N2 62519825 167753585 /nfs/dbraw/zinc/75/35/85/167753585.db2.gz IOPVCEMSMCKRJP-QMMMGPOBSA-N 0 0 177.247 2.442 10 0 AEAERN CCc1ccccc1-c1ncc(N)cn1 52201033 167753734 /nfs/dbraw/zinc/75/37/34/167753734.db2.gz GMXBYNRVUQRFER-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN CCc1ccn(CC(C)C)n1 26547559 167754111 /nfs/dbraw/zinc/75/41/11/167754111.db2.gz IYGKMYOBTCUYHS-UHFFFAOYSA-N 0 0 152.241 2.102 10 0 AEAERN CCc1ccn(C(C)C)n1 26547553 167755475 /nfs/dbraw/zinc/75/54/75/167755475.db2.gz XGGZHRYEUQNCOX-UHFFFAOYSA-N 0 0 138.214 2.026 10 0 AEAERN CCc1cn(C=O)c2ccccc12 34592338 167756147 /nfs/dbraw/zinc/75/61/47/167756147.db2.gz UWNWSDDTYGTGCM-UHFFFAOYSA-N 0 0 173.215 2.242 10 0 AEAERN CCc1ccnc(C)c1C(C)=O 39071466 167756288 /nfs/dbraw/zinc/75/62/88/167756288.db2.gz QXAKHTQTNZBSCE-UHFFFAOYSA-N 0 0 163.220 2.155 10 0 AEAERN CCc1ccccc1O[C@H](C)[C@H](C)O 44233780 167756353 /nfs/dbraw/zinc/75/63/53/167756353.db2.gz GZBKYWDADDVBAD-VHSXEESVSA-N 0 0 194.274 2.397 10 0 AEAERN CCc1cncc2cc(C=O)oc12 82399219 167756915 /nfs/dbraw/zinc/75/69/15/167756915.db2.gz KJEAKORNHIQUDP-UHFFFAOYSA-N 0 0 175.187 2.203 10 0 AEAERN CCc1cnccc1-c1nc(C)no1 335173575 167757194 /nfs/dbraw/zinc/75/71/94/167757194.db2.gz NXRDNOYMUSMQOK-UHFFFAOYSA-N 0 0 189.218 2.002 10 0 AEAERN CCc1cnc2c(N)cccc2c1 39119798 167758420 /nfs/dbraw/zinc/75/84/20/167758420.db2.gz MBRHJAPIMKGTHW-UHFFFAOYSA-N 0 0 172.231 2.379 10 0 AEAERN CCc1cnc2c(n1)[C@@H](C)O[C@H]2C 39114105 167758446 /nfs/dbraw/zinc/75/84/46/167758446.db2.gz NTENLQXPABMSEP-NKWVEPMBSA-N 0 0 178.235 2.191 10 0 AEAERN CCc1cnc2c(n1)[C@H](C)O[C@H]2C 39114104 167758791 /nfs/dbraw/zinc/75/87/91/167758791.db2.gz NTENLQXPABMSEP-BQBZGAKWSA-N 0 0 178.235 2.191 10 0 AEAERN CCc1cnc2ccccc2n1 39134345 167758825 /nfs/dbraw/zinc/75/88/25/167758825.db2.gz KXSIUJJLRBAPGB-UHFFFAOYSA-N 0 0 158.204 2.192 10 0 AEAERN CCc1cncc(C(C)C)n1 39103047 167759178 /nfs/dbraw/zinc/75/91/78/167759178.db2.gz XMIMIQPDDJVQAO-UHFFFAOYSA-N 0 0 150.225 2.162 10 0 AEAERN CCc1nc(-c2cccc(C)c2)n[nH]1 40175794 167759435 /nfs/dbraw/zinc/75/94/35/167759435.db2.gz IVWPEBMZBFGJLL-UHFFFAOYSA-N 0 0 187.246 2.343 10 0 AEAERN CCc1coc2ccncc12 24429101 167759622 /nfs/dbraw/zinc/75/96/22/167759622.db2.gz TXANSKRREMZELK-UHFFFAOYSA-N 0 0 147.177 2.390 10 0 AEAERN CCc1csc(C(C)=O)c1N 39072585 167759769 /nfs/dbraw/zinc/75/97/69/167759769.db2.gz SGMFIEKKGVNABW-UHFFFAOYSA-N 0 0 169.249 2.095 10 0 AEAERN CCc1n[nH]c2cc(C)ccc12 60260717 167760068 /nfs/dbraw/zinc/76/00/68/167760068.db2.gz ZCPUKBYOFLEXCF-UHFFFAOYSA-N 0 0 160.220 2.434 10 0 AEAERN CCc1coc2cnccc12 24429091 167760290 /nfs/dbraw/zinc/76/02/90/167760290.db2.gz OXGPFJHLALLRKU-UHFFFAOYSA-N 0 0 147.177 2.390 10 0 AEAERN CCc1csc(C=O)c1 34497557 167760460 /nfs/dbraw/zinc/76/04/60/167760460.db2.gz ABPKANCPBHXONL-UHFFFAOYSA-N 0 0 140.207 2.123 10 0 AEAERN CCc1nc(-c2ccccc2)n[nH]1 40175784 167760578 /nfs/dbraw/zinc/76/05/78/167760578.db2.gz XBNWSDRPKZDJPI-UHFFFAOYSA-N 0 0 173.219 2.034 10 0 AEAERN CCc1n[nH]c2ccc(C)cc12 34129627 167761146 /nfs/dbraw/zinc/76/11/46/167761146.db2.gz URVJQVBRGZLRNH-UHFFFAOYSA-N 0 0 160.220 2.434 10 0 AEAERN CCc1nc(-c2ccc(F)cc2)n[nH]1 48630767 167761372 /nfs/dbraw/zinc/76/13/72/167761372.db2.gz ZCIIUQIBSALNMA-UHFFFAOYSA-N 0 0 191.209 2.173 10 0 AEAERN CCc1[nH]nc2c(F)cccc12 89196058 167761545 /nfs/dbraw/zinc/76/15/45/167761545.db2.gz RWKBUEHYMDJSOE-UHFFFAOYSA-N 0 0 164.183 2.264 10 0 AEAERN CCc1nc(C(C)C)c(N)s1 50308262 167763439 /nfs/dbraw/zinc/76/34/39/167763439.db2.gz LKSYNTUOOOZANZ-UHFFFAOYSA-N 0 0 170.281 2.411 10 0 AEAERN CCc1nc(C(C)C)cnc1C 39103981 167764426 /nfs/dbraw/zinc/76/44/26/167764426.db2.gz RYTDAVJNZVSGSK-UHFFFAOYSA-N 0 0 164.252 2.471 10 0 AEAERN CCc1nc(C(C)C)c(CO)s1 60007914 167765422 /nfs/dbraw/zinc/76/54/22/167765422.db2.gz AJBSHCALQMLUSD-UHFFFAOYSA-N 0 0 185.292 2.321 10 0 AEAERN CCc1nc(C2CC2)c(N)s1 50308275 167765605 /nfs/dbraw/zinc/76/56/05/167765605.db2.gz ORECHCJCHXGHBC-UHFFFAOYSA-N 0 0 168.265 2.165 10 0 AEAERN CCc1nc(CC2=CCCC2)no1 307568829 167767453 /nfs/dbraw/zinc/76/74/53/167767453.db2.gz UOLMTPCMFQHWGF-UHFFFAOYSA-N 0 0 178.235 2.285 10 0 AEAERN CCc1nc(C)sc1-c1nnco1 40350509 167768423 /nfs/dbraw/zinc/76/84/23/167768423.db2.gz YAVFEINTKPDBDX-UHFFFAOYSA-N 0 0 195.247 2.064 10 0 AEAERN CCc1nc(Cl)c2c(n1)CCC2 42400155 167770224 /nfs/dbraw/zinc/77/02/24/167770224.db2.gz HYUXGGIQEXCIRD-UHFFFAOYSA-N 0 0 182.654 2.181 10 0 AEAERN CCc1nc(N)sc1C(C)C 39104432 167770270 /nfs/dbraw/zinc/77/02/70/167770270.db2.gz XZVYXOHOACGXPT-UHFFFAOYSA-N 0 0 170.281 2.411 10 0 AEAERN CCc1nc([C@H](C)O)sc1C 71026643 167772362 /nfs/dbraw/zinc/77/23/62/167772362.db2.gz BEQRCXGUZVZQOT-YFKPBYRVSA-N 0 0 171.265 2.067 10 0 AEAERN CCc1nc2cc(C)cc(N)c2o1 41568779 167772954 /nfs/dbraw/zinc/77/29/54/167772954.db2.gz HDTAYMFPSKPVSA-UHFFFAOYSA-N 0 0 176.219 2.281 10 0 AEAERN CCc1nc2c(nc1CC)CCC2 45814389 167773479 /nfs/dbraw/zinc/77/34/79/167773479.db2.gz JUZQMGADAFEYMD-UHFFFAOYSA-N 0 0 176.263 2.090 10 0 AEAERN CCc1nc([C@H](C)C(C)C)no1 307581426 167774125 /nfs/dbraw/zinc/77/41/25/167774125.db2.gz REGRFMDVHNBKCI-SSDOTTSWSA-N 0 0 168.240 2.392 10 0 AEAERN CCc1nc2cc(C(C)=O)ccc2[nH]1 31893553 167774513 /nfs/dbraw/zinc/77/45/13/167774513.db2.gz XKPJSJJMLIYPTI-UHFFFAOYSA-N 0 0 188.230 2.328 10 0 AEAERN CCc1nc2cc(OC)ccc2o1 62519610 167775521 /nfs/dbraw/zinc/77/55/21/167775521.db2.gz ARVZHUYZLHKRNP-UHFFFAOYSA-N 0 0 177.203 2.399 10 0 AEAERN CCc1nc[nH]c(=S)c1C 45956085 167776025 /nfs/dbraw/zinc/77/60/25/167776025.db2.gz QLVWSCXBWWRHBD-UHFFFAOYSA-N 0 0 154.238 2.010 10 0 AEAERN CCc1nc2ncccc2s1 89229276 167776343 /nfs/dbraw/zinc/77/63/43/167776343.db2.gz USIVGNPJGMSYTR-UHFFFAOYSA-N 0 0 164.233 2.254 10 0 AEAERN CCc1nc2c(C)cc(Cl)nc2[nH]1 137365521 167776705 /nfs/dbraw/zinc/77/67/05/167776705.db2.gz DLDBAJIELGBUAJ-UHFFFAOYSA-N 0 0 195.653 2.482 10 0 AEAERN CCc1nc2cccnc2nc1CC 45796205 167777380 /nfs/dbraw/zinc/77/73/80/167777380.db2.gz RIRYRYWTVGWMTN-UHFFFAOYSA-N 0 0 187.246 2.150 10 0 AEAERN CCc1nccc(OC2CC2)c1OC 95719769 167778537 /nfs/dbraw/zinc/77/85/37/167778537.db2.gz RXHNJOUPFROLTG-UHFFFAOYSA-N 0 0 193.246 2.194 10 0 AEAERN CCc1ncc(F)cc1OC1CC1 95723527 167779346 /nfs/dbraw/zinc/77/93/46/167779346.db2.gz DYSPSGCPRFOIQT-UHFFFAOYSA-N 0 0 181.210 2.324 10 0 AEAERN CCc1ncc(OC)cc1OC1CC1 95713082 167779901 /nfs/dbraw/zinc/77/99/01/167779901.db2.gz DIIWYYOMZRNYKT-UHFFFAOYSA-N 0 0 193.246 2.194 10 0 AEAERN CCc1noc(-c2cccc(O)c2)n1 22120095 167786612 /nfs/dbraw/zinc/78/66/12/167786612.db2.gz YOUNDPVBJWKPIN-UHFFFAOYSA-N 0 0 190.202 2.005 10 0 AEAERN CCc1noc([C@@H]2CCC(C)(C)O2)n1 335671791 167788735 /nfs/dbraw/zinc/78/87/35/167788735.db2.gz WJWPWQURXKJRPM-ZETCQYMHSA-N 0 0 196.250 2.262 10 0 AEAERN CCc1noc(C2CC2)c1C 18595922 167789513 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/nfs/dbraw/zinc/07/54/99/168075499.db2.gz HFXQDGRBGIEYNE-WAYWQWQTSA-N 0 0 152.168 2.443 10 0 AEAERN CO/C=C\c1ccccc1O 39059214 168075682 /nfs/dbraw/zinc/07/56/82/168075682.db2.gz YAOBJLXBDHMPCA-SREVYHEPSA-N 0 0 150.177 2.009 10 0 AEAERN CO/C=C\Oc1ccccc1 39089135 168075807 /nfs/dbraw/zinc/07/58/07/168075807.db2.gz WYEHTQYFMHEKFE-FPLPWBNLSA-N 0 0 150.177 2.183 10 0 AEAERN COC(=N)c1c(C)[nH]c2ccccc12 77274075 168076176 /nfs/dbraw/zinc/07/61/76/168076176.db2.gz FYYROQXKFCTXAF-UHFFFAOYSA-N 0 0 188.230 2.448 10 0 AEAERN COC(=N)c1cc(C)cc(C)c1 43393071 168076190 /nfs/dbraw/zinc/07/61/90/168076190.db2.gz GPSQEJKLAPNURZ-UHFFFAOYSA-N 0 0 163.220 2.275 10 0 AEAERN COC(=N)c1cc2ccccc2o1 37928090 168076195 /nfs/dbraw/zinc/07/61/95/168076195.db2.gz XCVLROKSYOHNDP-UHFFFAOYSA-N 0 0 175.187 2.405 10 0 AEAERN COC(=N)c1ccc(OC)c(C)c1C 77277779 168076204 /nfs/dbraw/zinc/07/62/04/168076204.db2.gz CPXSBGYKUPDDBK-UHFFFAOYSA-N 0 0 193.246 2.284 10 0 AEAERN COC(=N)c1ccc(Cl)s1 37928045 168076206 /nfs/dbraw/zinc/07/62/06/168076206.db2.gz JNNVBGSKPLTYKQ-UHFFFAOYSA-N 0 0 175.640 2.373 10 0 AEAERN COC(=N)Cc1ccc(C)cc1 51753010 168076211 /nfs/dbraw/zinc/07/62/11/168076211.db2.gz VFJYJYKKKDNSIH-UHFFFAOYSA-N 0 0 163.220 2.161 10 0 AEAERN COC(=N)[C@H](C)c1ccccc1 34200053 168076232 /nfs/dbraw/zinc/07/62/32/168076232.db2.gz MHUYUZCILQLIPS-MRVPVSSYSA-N 0 0 163.220 2.414 10 0 AEAERN COC(=N)c1cc(Cl)ccc1OC 77296746 168076266 /nfs/dbraw/zinc/07/62/66/168076266.db2.gz BSTSNYXESYYQIY-UHFFFAOYSA-N 0 0 199.637 2.320 10 0 AEAERN COC(=N)c1ccc2oc(C)nc2c1 77274918 168076283 /nfs/dbraw/zinc/07/62/83/168076283.db2.gz XDHNDDRUHZYWAN-UHFFFAOYSA-N 0 0 190.202 2.108 10 0 AEAERN COC(=N)c1cc(F)c(F)c(F)c1 43392610 168076304 /nfs/dbraw/zinc/07/63/04/168076304.db2.gz OBEXWPNLISBLIZ-UHFFFAOYSA-N 0 0 189.136 2.076 10 0 AEAERN COC(=N)c1cc(C)c(C)cc1OC 77277748 168076379 /nfs/dbraw/zinc/07/63/79/168076379.db2.gz PFEFJXWSPNSXII-UHFFFAOYSA-N 0 0 193.246 2.284 10 0 AEAERN COC(=N)Cc1ccccc1C 43560402 168076542 /nfs/dbraw/zinc/07/65/42/168076542.db2.gz VDUSQNBMESTVRP-UHFFFAOYSA-N 0 0 163.220 2.161 10 0 AEAERN COC(=N)c1cc(C)c(OC)cc1C 77277753 168076563 /nfs/dbraw/zinc/07/65/63/168076563.db2.gz XHSBGRPFQOXKJR-UHFFFAOYSA-N 0 0 193.246 2.284 10 0 AEAERN COC(=N)c1ccc(OC)c(Cl)c1 34108786 168076642 /nfs/dbraw/zinc/07/66/42/168076642.db2.gz JQBTUUBFUOEYDK-UHFFFAOYSA-N 0 0 199.637 2.320 10 0 AEAERN COC(=N)c1cccc(Cl)c1 37927980 168076684 /nfs/dbraw/zinc/07/66/84/168076684.db2.gz HSUBXZCIPIWWIA-UHFFFAOYSA-N 0 0 169.611 2.312 10 0 AEAERN COC(=N)c1cc(Cl)ccc1F 77273895 168076751 /nfs/dbraw/zinc/07/67/51/168076751.db2.gz IRSYRKYOJCQWRS-UHFFFAOYSA-N 0 0 187.601 2.451 10 0 AEAERN COC(=N)[C@@H](C)c1ccccc1 34200052 168076759 /nfs/dbraw/zinc/07/67/59/168076759.db2.gz MHUYUZCILQLIPS-QMMMGPOBSA-N 0 0 163.220 2.414 10 0 AEAERN COC(=N)c1cccc(C)c1C 43314736 168076780 /nfs/dbraw/zinc/07/67/80/168076780.db2.gz JITTWKCDIMGEMX-UHFFFAOYSA-N 0 0 163.220 2.275 10 0 AEAERN COC(=N)c1cc(C)ccc1C 49670076 168076801 /nfs/dbraw/zinc/07/68/01/168076801.db2.gz DYHNKMXVVSUCHT-UHFFFAOYSA-N 0 0 163.220 2.275 10 0 AEAERN COC(=N)c1ccccc1Cl 37928073 168076812 /nfs/dbraw/zinc/07/68/12/168076812.db2.gz XOAVVDZYUVAVRA-UHFFFAOYSA-N 0 0 169.611 2.312 10 0 AEAERN COC(=N)c1ccc2c(c1)CCC2 77265753 168076835 /nfs/dbraw/zinc/07/68/35/168076835.db2.gz FXYKLUDZHNMLOM-UHFFFAOYSA-N 0 0 175.231 2.147 10 0 AEAERN COC(=N)c1ccnc2ccccc12 82665143 168076853 /nfs/dbraw/zinc/07/68/53/168076853.db2.gz OVUIRXLEUFINBE-UHFFFAOYSA-N 0 0 186.214 2.207 10 0 AEAERN COC(=N)Cc1cc(F)cc(F)c1 49349594 168076864 /nfs/dbraw/zinc/07/68/64/168076864.db2.gz GFQGRPBIVHHGBO-UHFFFAOYSA-N 0 0 185.173 2.131 10 0 AEAERN COC(=N)c1ccc([C@H]2C[C@@H]2C)o1 37928096 168077024 /nfs/dbraw/zinc/07/70/24/168077024.db2.gz TTZXDRKZELIGDX-BQBZGAKWSA-N 0 0 179.219 2.375 10 0 AEAERN COC(=N)Cc1cc(C)ccc1C 71497301 168077048 /nfs/dbraw/zinc/07/70/48/168077048.db2.gz OPRAVTCYEFSFGP-UHFFFAOYSA-N 0 0 177.247 2.470 10 0 AEAERN COC(=N)c1c(F)cccc1Cl 71500084 168077071 /nfs/dbraw/zinc/07/70/71/168077071.db2.gz PLOSZVGPUNPQQI-UHFFFAOYSA-N 0 0 187.601 2.451 10 0 AEAERN COC(=N)c1ccc(Cl)c(F)c1 43389004 168077096 /nfs/dbraw/zinc/07/70/96/168077096.db2.gz MOMODSVIKIYVPA-UHFFFAOYSA-N 0 0 187.601 2.451 10 0 AEAERN COC(=N)[C@H]1CCC[C@@H](C)C1 44981275 168077100 /nfs/dbraw/zinc/07/71/00/168077100.db2.gz FLKZPVZCTIABMP-SFYZADRCSA-N 0 0 155.241 2.436 10 0 AEAERN COC(=N)c1ccc2nc(C)oc2c1 77274914 168077135 /nfs/dbraw/zinc/07/71/35/168077135.db2.gz UCOGRIUBRCZGPA-UHFFFAOYSA-N 0 0 190.202 2.108 10 0 AEAERN COC(=N)c1sccc1C 37928076 168077164 /nfs/dbraw/zinc/07/71/64/168077164.db2.gz BKWPHLZYYMKZOM-UHFFFAOYSA-N 0 0 155.222 2.028 10 0 AEAERN COC(=N)c1ccc(C)c(F)c1 37927963 168077197 /nfs/dbraw/zinc/07/71/97/168077197.db2.gz BLXYQRUOGZPAHQ-UHFFFAOYSA-N 0 0 167.183 2.106 10 0 AEAERN COC(=N)c1ccc(F)c(C)c1 41048844 168077209 /nfs/dbraw/zinc/07/72/09/168077209.db2.gz YDRJDPSDRCLUHZ-UHFFFAOYSA-N 0 0 167.183 2.106 10 0 AEAERN COC(=N)Cc1ccc(C)cc1C 71497303 168077257 /nfs/dbraw/zinc/07/72/57/168077257.db2.gz RMMVZZLNWHUPLZ-UHFFFAOYSA-N 0 0 177.247 2.470 10 0 AEAERN COC(=N)c1ccc(OC)cc1Cl 77296747 168077261 /nfs/dbraw/zinc/07/72/61/168077261.db2.gz FXLSXJRIHSQTLF-UHFFFAOYSA-N 0 0 199.637 2.320 10 0 AEAERN COC(=N)c1ccc(C)s1 37928052 168077263 /nfs/dbraw/zinc/07/72/63/168077263.db2.gz OGSGXANPLHPMCR-UHFFFAOYSA-N 0 0 155.222 2.028 10 0 AEAERN COC(=N)c1nc2ccccc2s1 45237551 168077338 /nfs/dbraw/zinc/07/73/38/168077338.db2.gz SURSTESBRYKETI-UHFFFAOYSA-N 0 0 192.243 2.268 10 0 AEAERN COC(=N)c1c(C)cc(C)cc1OC 77277787 168077382 /nfs/dbraw/zinc/07/73/82/168077382.db2.gz SSQWROXHPWLWOF-UHFFFAOYSA-N 0 0 193.246 2.284 10 0 AEAERN COC(=N)c1ccc(C)c(C)c1 37928107 168077458 /nfs/dbraw/zinc/07/74/58/168077458.db2.gz GOLQICGCQHPIHG-UHFFFAOYSA-N 0 0 163.220 2.275 10 0 AEAERN COC(=N)c1cc(C)cc(C)c1OC 77277773 168077480 /nfs/dbraw/zinc/07/74/80/168077480.db2.gz RCBXGLNZBHQFCN-UHFFFAOYSA-N 0 0 193.246 2.284 10 0 AEAERN COC(=N)c1cc(C)n(C2CC2)c1C 77277192 168077527 /nfs/dbraw/zinc/07/75/27/168077527.db2.gz OXQDJYSBTKLZML-UHFFFAOYSA-N 0 0 192.262 2.412 10 0 AEAERN COC(=N)c1ccc(O)c(Cl)c1 43477127 168077531 /nfs/dbraw/zinc/07/75/31/168077531.db2.gz HGNMIUAVZJXHQX-UHFFFAOYSA-N 0 0 185.610 2.017 10 0 AEAERN COC(=N)Cc1cccc(C)c1 43561212 168077545 /nfs/dbraw/zinc/07/75/45/168077545.db2.gz ZRXGADVDWAHRCI-UHFFFAOYSA-N 0 0 163.220 2.161 10 0 AEAERN COC(=N)CSc1ccccc1 83501689 168077560 /nfs/dbraw/zinc/07/75/60/168077560.db2.gz PSGJMRPQPHBCFG-UHFFFAOYSA-N 0 0 181.260 2.402 10 0 AEAERN COC(=N)c1ccc2ccccc2n1 63076460 168077573 /nfs/dbraw/zinc/07/75/73/168077573.db2.gz QLQMLHFDGWKAQV-UHFFFAOYSA-N 0 0 186.214 2.207 10 0 AEAERN COC(=N)c1cccc(OC(C)C)c1 40666568 168077576 /nfs/dbraw/zinc/07/75/76/168077576.db2.gz JMGAVVJUSUBOBY-UHFFFAOYSA-N 0 0 193.246 2.446 10 0 AEAERN COC(=N)c1ccc(SC)cc1 37928060 168077599 /nfs/dbraw/zinc/07/75/99/168077599.db2.gz WEIDEZPIIPNNLI-UHFFFAOYSA-N 0 0 181.260 2.380 10 0 AEAERN COC(=N)c1ccc(C)cc1C 37928056 168077601 /nfs/dbraw/zinc/07/76/01/168077601.db2.gz PHUMNRZXEOGGMQ-UHFFFAOYSA-N 0 0 163.220 2.275 10 0 AEAERN COC(=N)c1cn(C)c2ccccc12 77274070 168077633 /nfs/dbraw/zinc/07/76/33/168077633.db2.gz AAZADHBZENCCPI-UHFFFAOYSA-N 0 0 188.230 2.150 10 0 AEAERN COC(=O)/C=C/SC(C)(C)C 33840986 168077810 /nfs/dbraw/zinc/07/78/10/168077810.db2.gz ZXGWAWBFPNWHRV-AATRIKPKSA-N 0 0 174.265 2.205 10 0 AEAERN COC(=O)/C=C\c1cccc(C)c1 35091573 168077882 /nfs/dbraw/zinc/07/78/82/168077882.db2.gz WNPZREZPHDCWRC-SREVYHEPSA-N 0 0 176.215 2.181 10 0 AEAERN COC(=O)/C=C(\C)c1ccc(C)o1 104838887 168078196 /nfs/dbraw/zinc/07/81/96/168078196.db2.gz MCGNZTQODJDNNB-VOTSOKGWSA-N 0 0 180.203 2.164 10 0 AEAERN COC(=O)/C=C/c1cccc(C)c1C 39644164 168078247 /nfs/dbraw/zinc/07/82/47/168078247.db2.gz XHEWHWPRMKRXGL-BQYQJAHWSA-N 0 0 190.242 2.490 10 0 AEAERN COC(=O)/C=C\c1cc(C)ccc1C 33337199 168078597 /nfs/dbraw/zinc/07/85/97/168078597.db2.gz BOTNWHZTEASVBM-SREVYHEPSA-N 0 0 190.242 2.490 10 0 AEAERN COC(=O)/C=C\c1cccc(F)c1 71610872 168078646 /nfs/dbraw/zinc/07/86/46/168078646.db2.gz FLDMXKIURVHYKV-WAYWQWQTSA-N 0 0 180.178 2.012 10 0 AEAERN COC(=O)/C=C\c1ccccc1F 33336955 168078815 /nfs/dbraw/zinc/07/88/15/168078815.db2.gz HEGMSNMENPDWJB-SREVYHEPSA-N 0 0 180.178 2.012 10 0 AEAERN COC(=O)/C=C/c1ccc(C)cc1C 39644162 168079107 /nfs/dbraw/zinc/07/91/07/168079107.db2.gz FPOSRJZWLSPVDQ-VOTSOKGWSA-N 0 0 190.242 2.490 10 0 AEAERN COC(=O)C(C)(C)Nc1ccccc1 2243585 168079870 /nfs/dbraw/zinc/07/98/70/168079870.db2.gz UWSZDTKNLYGFOX-UHFFFAOYSA-N 0 0 193.246 2.050 10 0 AEAERN COC(=O)C(C)(C)c1ccccc1C 32169907 168079931 /nfs/dbraw/zinc/07/99/31/168079931.db2.gz GVSGLMXGGWRCLV-UHFFFAOYSA-N 0 0 192.258 2.446 10 0 AEAERN COC(=O)C1=C(C)C=CCC1(C)C 34182944 168081678 /nfs/dbraw/zinc/08/16/78/168081678.db2.gz BSVHAZNNVRXKKQ-UHFFFAOYSA-N 0 0 180.247 2.462 10 0 AEAERN COC(=O)C1=CCC[C@@H]1C(C)C 39104304 168082025 /nfs/dbraw/zinc/08/20/25/168082025.db2.gz VCKUQWFBMJQYAB-MRVPVSSYSA-N 0 0 168.236 2.152 10 0 AEAERN COC(=O)C1(C(C)C)CC=CC1 39104240 168082087 /nfs/dbraw/zinc/08/20/87/168082087.db2.gz QFJSATWHKJNAPN-UHFFFAOYSA-N 0 0 168.236 2.152 10 0 AEAERN COC(=O)C1(CC(C)=O)CCCCC1 104842491 168082181 /nfs/dbraw/zinc/08/21/81/168082181.db2.gz LUKOLQPGNXWNDJ-UHFFFAOYSA-N 0 0 198.262 2.089 10 0 AEAERN COC(=O)C1=C(C)CCCC1 39242191 168082289 /nfs/dbraw/zinc/08/22/89/168082289.db2.gz UMYFAWYCKUPXRV-UHFFFAOYSA-N 0 0 154.209 2.050 10 0 AEAERN COC(=O)C1=CCC[C@H]1C(C)C 39104303 168082563 /nfs/dbraw/zinc/08/25/63/168082563.db2.gz VCKUQWFBMJQYAB-QMMMGPOBSA-N 0 0 168.236 2.152 10 0 AEAERN COC(=O)C1=Cc2sccc2CC1 38973940 168083526 /nfs/dbraw/zinc/08/35/26/168083526.db2.gz FLYAFBWEPLLRMJ-UHFFFAOYSA-N 0 0 194.255 2.251 10 0 AEAERN COC(=O)C1CC(C(C)(C)C)C1 335519664 168084466 /nfs/dbraw/zinc/08/44/66/168084466.db2.gz NPFBXQWPXHFSLV-UHFFFAOYSA-N 0 0 170.252 2.232 10 0 AEAERN COC(=O)CC(C)(C)c1ccco1 57348815 168084641 /nfs/dbraw/zinc/08/46/41/168084641.db2.gz SAPUNEIFELKKRM-UHFFFAOYSA-N 0 0 182.219 2.120 10 0 AEAERN COC(=O)CCC(=O)C1CCCCC1 34437478 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KUTUWMPMOWUXFO-SECBINFHSA-N 0 0 181.279 2.387 10 0 AEAERN COC[C@H](C)CNc1ccc(C)cn1 41675383 168188195 /nfs/dbraw/zinc/18/81/95/168188195.db2.gz YAYZFAGGGPFZRQ-SNVBAGLBSA-N 0 0 194.278 2.084 10 0 AEAERN COC[C@H](C)CNc1ncccc1C 51041194 168188852 /nfs/dbraw/zinc/18/88/52/168188852.db2.gz SQQVELVSGLLYQF-SECBINFHSA-N 0 0 194.278 2.084 10 0 AEAERN COC[C@H](C)Nc1ccc(C)cc1N 37401237 168189453 /nfs/dbraw/zinc/18/94/53/168189453.db2.gz PGETVEFAKMXWQH-VIFPVBQESA-N 0 0 194.278 2.024 10 0 AEAERN COC[C@H](C)Nc1cc(N)ccc1C 53734553 168189851 /nfs/dbraw/zinc/18/98/51/168189851.db2.gz ZXYQNQGZDDZOJP-VIFPVBQESA-N 0 0 194.278 2.024 10 0 AEAERN COC[C@H](C)n1c(C)ccc1C 3259682 168189913 /nfs/dbraw/zinc/18/99/13/168189913.db2.gz DHUHUBAJGSCGAV-JTQLQIEISA-N 0 0 167.252 2.312 10 0 AEAERN COC[C@H](C)c1ccccc1 33605343 168189951 /nfs/dbraw/zinc/18/99/51/168189951.db2.gz JSLADQCPHDFYDG-VIFPVBQESA-N 0 0 150.221 2.437 10 0 AEAERN COC[C@H](C)[C@@H]1CC[C@H](C)C[C@@H]1O 256764733 168190200 /nfs/dbraw/zinc/19/02/00/168190200.db2.gz RMNCXEZCLGGIIN-NAKRPEOUSA-N 0 0 186.295 2.066 10 0 AEAERN COC[C@H](C)Nc1ccc(N)cc1C 36950113 168190211 /nfs/dbraw/zinc/19/02/11/168190211.db2.gz BTLFTXLTGJRKFP-VIFPVBQESA-N 0 0 194.278 2.024 10 0 AEAERN COC[C@H](C)n1c(C)cc(C=O)c1C 19483653 168190267 /nfs/dbraw/zinc/19/02/67/168190267.db2.gz BRWIBLYVMXLBQX-VIFPVBQESA-N 0 0 195.262 2.125 10 0 AEAERN COC[C@H](C)Nc1cccc(N)c1C 62724124 168190340 /nfs/dbraw/zinc/19/03/40/168190340.db2.gz RHJNEECMZMJBLZ-QMMMGPOBSA-N 0 0 194.278 2.024 10 0 AEAERN COC[C@H](C)Nc1ccc(N)c(C)c1 35277679 168190363 /nfs/dbraw/zinc/19/03/63/168190363.db2.gz WEUXADIXKNUNIG-VIFPVBQESA-N 0 0 194.278 2.024 10 0 AEAERN COC[C@H](C)Nc1ccc(C)c(N)c1 61700833 168190462 /nfs/dbraw/zinc/19/04/62/168190462.db2.gz GRAUCRJHEDGVRE-VIFPVBQESA-N 0 0 194.278 2.024 10 0 AEAERN COC[C@H](O)CCCC(C)(C)C 51697281 168190784 /nfs/dbraw/zinc/19/07/84/168190784.db2.gz NNCGJRYNKXSMST-SECBINFHSA-N 0 0 174.284 2.210 10 0 AEAERN COC[C@H]1CCc2ccccc2N1 20246941 168191048 /nfs/dbraw/zinc/19/10/48/168191048.db2.gz PUNFBOOQYXEFFO-SNVBAGLBSA-N 0 0 177.247 2.060 10 0 AEAERN COC[C@H](O)c1ccc(Cl)cc1 49672192 168191058 /nfs/dbraw/zinc/19/10/58/168191058.db2.gz JYOGDIIWUICPLN-VIFPVBQESA-N 0 0 186.638 2.020 10 0 AEAERN COC[C@H](O)c1ccc(C(C)C)cc1 44192680 168191663 /nfs/dbraw/zinc/19/16/63/168191663.db2.gz VLFSVWBDJPPHCV-LBPRGKRZSA-N 0 0 194.274 2.490 10 0 AEAERN COC[C@H](O)c1ccccc1Cl 49672202 168191694 /nfs/dbraw/zinc/19/16/94/168191694.db2.gz SSAQTBNCCGHMCZ-VIFPVBQESA-N 0 0 186.638 2.020 10 0 AEAERN COC[C@H]1C=CC[C@H](C(C)C)O1 39104408 168191755 /nfs/dbraw/zinc/19/17/55/168191755.db2.gz RMYFTOLJPPMMET-NXEZZACHSA-N 0 0 170.252 2.003 10 0 AEAERN COC[C@H](O)c1cc2ccccc2o1 44192600 168191904 /nfs/dbraw/zinc/19/19/04/168191904.db2.gz AAAJFTOQKVDURI-VIFPVBQESA-N 0 0 192.214 2.113 10 0 AEAERN COC[C@H](O)c1c(C)cc(C)cc1C 44192998 168191918 /nfs/dbraw/zinc/19/19/18/168191918.db2.gz NLGBSUPRBDIBCI-NSHDSACASA-N 0 0 194.274 2.292 10 0 AEAERN COC[C@H]1C=CC[C@@H](C(C)C)O1 216438203 168191932 /nfs/dbraw/zinc/19/19/32/168191932.db2.gz RMYFTOLJPPMMET-ZJUUUORDSA-N 0 0 170.252 2.003 10 0 AEAERN COCc1c(NC(C)(C)C)n[nH]c1C 62669356 168192489 /nfs/dbraw/zinc/19/24/89/168192489.db2.gz ACRDINHBXZVNBU-UHFFFAOYSA-N 0 0 197.282 2.075 10 0 AEAERN COCc1cc(C)c(N)c(C)c1 39437636 168192693 /nfs/dbraw/zinc/19/26/93/168192693.db2.gz YCJZLKNEQICBTO-UHFFFAOYSA-N 0 0 165.236 2.032 10 0 AEAERN COCc1cc(C)cc(O)c1C 75547249 168192702 /nfs/dbraw/zinc/19/27/02/168192702.db2.gz VYFTXPCVNRBFSR-UHFFFAOYSA-N 0 0 166.220 2.155 10 0 AEAERN COCc1c(C=O)[nH]c2ccccc12 75579067 168193504 /nfs/dbraw/zinc/19/35/04/168193504.db2.gz UNLNRKHSDDJCLD-UHFFFAOYSA-N 0 0 189.214 2.127 10 0 AEAERN COCc1cc(C)c(O)c(C)c1 32173240 168193664 /nfs/dbraw/zinc/19/36/64/168193664.db2.gz QYYDUDRFMJMOSJ-UHFFFAOYSA-N 0 0 166.220 2.155 10 0 AEAERN COCc1cnc2c(O)cccc2c1 34599556 168194058 /nfs/dbraw/zinc/19/40/58/168194058.db2.gz HYQAHWLXBFESQU-UHFFFAOYSA-N 0 0 189.214 2.087 10 0 AEAERN COCc1ccc2ncsc2c1 45817198 168194176 /nfs/dbraw/zinc/19/41/76/168194176.db2.gz OUWHGSPUFIVITH-UHFFFAOYSA-N 0 0 179.244 2.443 10 0 AEAERN COCc1ccc(Cl)cc1N 50443462 168194249 /nfs/dbraw/zinc/19/42/49/168194249.db2.gz UZMGYTIBEDZIQJ-UHFFFAOYSA-N 0 0 171.627 2.069 10 0 AEAERN COCc1cc(=S)[nH]c(C(C)C)n1 45956382 168194369 /nfs/dbraw/zinc/19/43/69/168194369.db2.gz HWLHFQGHYHEUEP-UHFFFAOYSA-N 0 0 198.291 2.035 10 0 AEAERN COCc1ccc(O)c(Cl)c1 75563104 168194613 /nfs/dbraw/zinc/19/46/13/168194613.db2.gz PNABGZALORMRBC-UHFFFAOYSA-N 0 0 172.611 2.192 10 0 AEAERN COCc1ccc(C)c(N)c1C 75546795 168194631 /nfs/dbraw/zinc/19/46/31/168194631.db2.gz BQCBAWIDBXWVMI-UHFFFAOYSA-N 0 0 165.236 2.032 10 0 AEAERN COCc1cccc(Cl)c1 34164841 168194666 /nfs/dbraw/zinc/19/46/66/168194666.db2.gz ICZYALZVHVFXDJ-UHFFFAOYSA-N 0 0 156.612 2.486 10 0 AEAERN COCc1cccc2c1NCCC2 20246944 168194706 /nfs/dbraw/zinc/19/47/06/168194706.db2.gz RWRANQOJJXRAID-UHFFFAOYSA-N 0 0 177.247 2.191 10 0 AEAERN COCc1ccc(Cl)c(N)c1 37402620 168194846 /nfs/dbraw/zinc/19/48/46/168194846.db2.gz DATXPCZMMHNCRW-UHFFFAOYSA-N 0 0 171.627 2.069 10 0 AEAERN COCc1cc(Cl)n2ccnc2c1 89202373 168194967 /nfs/dbraw/zinc/19/49/67/168194967.db2.gz ZWCDPASUSSMUPS-UHFFFAOYSA-N 0 0 196.637 2.134 10 0 AEAERN COCc1cc(Cl)ccc1O 39435386 168195108 /nfs/dbraw/zinc/19/51/08/168195108.db2.gz PFBVNGMTQKJIRP-UHFFFAOYSA-N 0 0 172.611 2.192 10 0 AEAERN COCc1cccc(C(C)=O)c1 32189861 168195223 /nfs/dbraw/zinc/19/52/23/168195223.db2.gz BNOYKBRIVANYLF-UHFFFAOYSA-N 0 0 164.204 2.036 10 0 AEAERN COCc1ccccc1/C=C(/C)CO 86210165 168195287 /nfs/dbraw/zinc/19/52/87/168195287.db2.gz BLUIJSKLVXQCTP-YFHOEESVSA-N 0 0 192.258 2.229 10 0 AEAERN COCc1cccc(Cl)c1N 34238470 168195307 /nfs/dbraw/zinc/19/53/07/168195307.db2.gz NTYVOXXEOYJJTF-UHFFFAOYSA-N 0 0 171.627 2.069 10 0 AEAERN COCc1cc(F)cc(F)c1 39088766 168195328 /nfs/dbraw/zinc/19/53/28/168195328.db2.gz CIFHABDFGKVJED-UHFFFAOYSA-N 0 0 158.147 2.111 10 0 AEAERN COCc1ccc(C)cc1C 39233013 168195544 /nfs/dbraw/zinc/19/55/44/168195544.db2.gz VDPXDWRUUZQNNH-UHFFFAOYSA-N 0 0 150.221 2.450 10 0 AEAERN COCc1nc2cccc(N)c2s1 71494612 168197377 /nfs/dbraw/zinc/19/73/77/168197377.db2.gz YLPARTGZFOPCFJ-UHFFFAOYSA-N 0 0 194.259 2.025 10 0 AEAERN COCc1noc(C2(C)CCCC2)n1 334398518 168198842 /nfs/dbraw/zinc/19/88/42/168198842.db2.gz CZHMNBMYLZZKAS-UHFFFAOYSA-N 0 0 196.250 2.048 10 0 AEAERN COCc1noc([C@H]2CC=CCC2)n1 334140329 168198963 /nfs/dbraw/zinc/19/89/63/168198963.db2.gz FGDWJYZIXSXGNG-QMMMGPOBSA-N 0 0 194.234 2.040 10 0 AEAERN COCc1sc(NC2CC2)nc1C 61714518 168198996 /nfs/dbraw/zinc/19/89/96/168198996.db2.gz LOEKWQCJHADYOA-UHFFFAOYSA-N 0 0 198.291 2.172 10 0 AEAERN COCc1noc(C(F)=C2CCC2)n1 335277117 168199178 /nfs/dbraw/zinc/19/91/78/168199178.db2.gz OXYDWKKYAHQZSG-UHFFFAOYSA-N 0 0 198.197 2.081 10 0 AEAERN COCc1noc([C@@H]2CC=CCC2)n1 334140328 168199273 /nfs/dbraw/zinc/19/92/73/168199273.db2.gz FGDWJYZIXSXGNG-MRVPVSSYSA-N 0 0 194.234 2.040 10 0 AEAERN CON(OC)[C@@H](C)c1ccccc1 90556453 168199885 /nfs/dbraw/zinc/19/98/85/168199885.db2.gz UGAVYBCRNCGEMZ-VIFPVBQESA-N 0 0 181.235 2.172 10 0 AEAERN CON(OC)[C@H](C)c1ccccc1 90556452 168200574 /nfs/dbraw/zinc/20/05/74/168200574.db2.gz UGAVYBCRNCGEMZ-SECBINFHSA-N 0 0 181.235 2.172 10 0 AEAERN CONCc1ccc(F)c(Cl)c1 38876277 168201391 /nfs/dbraw/zinc/20/13/91/168201391.db2.gz JDDQJOIYAKIFRZ-UHFFFAOYSA-N 0 0 189.617 2.130 10 0 AEAERN CON[C@@H](c1ccccc1)C1CC1 95725562 168201552 /nfs/dbraw/zinc/20/15/52/168201552.db2.gz UBMFYUMJFXNWMC-NSHDSACASA-N 0 0 177.247 2.289 10 0 AEAERN CON[C@H](C)C1CCCCC1 35331681 168201594 /nfs/dbraw/zinc/20/15/94/168201594.db2.gz MTVZDVKUBAFLPQ-MRVPVSSYSA-N 0 0 157.257 2.106 10 0 AEAERN CON[C@H](c1ccccc1)C1CC1 95725563 168201654 /nfs/dbraw/zinc/20/16/54/168201654.db2.gz UBMFYUMJFXNWMC-LLVKDONJSA-N 0 0 177.247 2.289 10 0 AEAERN CON[C@@H](C)C1CCCCC1 35331678 168201656 /nfs/dbraw/zinc/20/16/56/168201656.db2.gz MTVZDVKUBAFLPQ-QMMMGPOBSA-N 0 0 157.257 2.106 10 0 AEAERN CONCc1ccsc1Cl 83272759 168201872 /nfs/dbraw/zinc/20/18/72/168201872.db2.gz ODDBTYFQYUELOQ-UHFFFAOYSA-N 0 0 177.656 2.053 10 0 AEAERN COP(=O)(Cc1ccco1)OC 34348879 168202128 /nfs/dbraw/zinc/20/21/28/168202128.db2.gz XIAUISUWOYBKQH-UHFFFAOYSA-N 0 0 190.135 2.266 10 0 AEAERN CONCc1cc(F)ccc1Cl 82882316 168202575 /nfs/dbraw/zinc/20/25/75/168202575.db2.gz BBXZOMBWTSBWRN-UHFFFAOYSA-N 0 0 189.617 2.130 10 0 AEAERN CONCc1c(F)cccc1Cl 70267734 168202841 /nfs/dbraw/zinc/20/28/41/168202841.db2.gz XBQJQWCULAKWSM-UHFFFAOYSA-N 0 0 189.617 2.130 10 0 AEAERN CONCc1ccccc1C(C)C 82871710 168202886 /nfs/dbraw/zinc/20/28/86/168202886.db2.gz OKRVNEHIFAEEQP-UHFFFAOYSA-N 0 0 179.263 2.461 10 0 AEAERN COP1OC(C)(C)C(C)(C)O1 39241801 168203112 /nfs/dbraw/zinc/20/31/12/168203112.db2.gz DAIZKROHTDPKBD-UHFFFAOYSA-N 0 0 178.168 2.464 10 0 AEAERN COP(=O)(OC)C(=O)OC(C)C 3653675 168203204 /nfs/dbraw/zinc/20/32/04/168203204.db2.gz TTYOCFPPDNHPRQ-UHFFFAOYSA-N 0 0 196.139 2.017 10 0 AEAERN COP1Oc2ccccc2O1 32150951 168203402 /nfs/dbraw/zinc/20/34/02/168203402.db2.gz WSJGYLOBOBYMCY-UHFFFAOYSA-N 0 0 170.104 2.331 10 0 AEAERN CO[C@@H](C)Cc1ccc2c(c1)NCN2 95931873 168203641 /nfs/dbraw/zinc/20/36/41/168203641.db2.gz LFTSTQCGMNLIDL-QMMMGPOBSA-N 0 0 192.262 2.059 10 0 AEAERN CO[C@@H](C)c1ccc(O)cc1 39629414 168203865 /nfs/dbraw/zinc/20/38/65/168203865.db2.gz LJZOJVVMYQTORT-ZETCQYMHSA-N 0 0 152.193 2.100 10 0 AEAERN CO[C@@H](C)[C@H](O)c1ccc(C)cc1 44192764 168203996 /nfs/dbraw/zinc/20/39/96/168203996.db2.gz NRRXIAHGPDIAGJ-ONGXEEELSA-N 0 0 180.247 2.063 10 0 AEAERN CO[C@@H](C)c1ccccc1O 34201678 168204112 /nfs/dbraw/zinc/20/41/12/168204112.db2.gz VSLRTPWMYWRLTI-ZETCQYMHSA-N 0 0 152.193 2.100 10 0 AEAERN CO[C@@H](C)[C@@H](O)c1ccc(C)cc1 44192761 168204179 /nfs/dbraw/zinc/20/41/79/168204179.db2.gz NRRXIAHGPDIAGJ-GXSJLCMTSA-N 0 0 180.247 2.063 10 0 AEAERN CO[C@@H](C)C[C@H]1CCCCC1=O 1662569 168204180 /nfs/dbraw/zinc/20/41/80/168204180.db2.gz WZNLSMDYRZNKTR-DTWKUNHWSA-N 0 0 170.252 2.171 10 0 AEAERN 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/nfs/dbraw/zinc/23/86/56/168238656.db2.gz BIMBCRBKEDBNBM-UHFFFAOYSA-N 0 0 191.230 2.494 10 0 AEAERN COc1cc(OC)c(C)cc1C 26444344 168238882 /nfs/dbraw/zinc/23/88/82/168238882.db2.gz SPCGVOJZFDZOGP-UHFFFAOYSA-N 0 0 166.220 2.321 10 0 AEAERN COc1cc(OC2CC2)cnc1Cl 95730664 168238886 /nfs/dbraw/zinc/23/88/86/168238886.db2.gz YMZHNIUUCGWABV-UHFFFAOYSA-N 0 0 199.637 2.285 10 0 AEAERN COc1cc([C@H](C)OC)ccc1O 200118168 168239124 /nfs/dbraw/zinc/23/91/24/168239124.db2.gz LHJPQBCBIBACEU-ZETCQYMHSA-N 0 0 182.219 2.108 10 0 AEAERN COc1cc([C@@H](C)O)c(OC)cc1C 77295971 168239236 /nfs/dbraw/zinc/23/92/36/168239236.db2.gz SXTKEOHNQFRJFP-MRVPVSSYSA-N 0 0 196.246 2.066 10 0 AEAERN COc1cc(OC2CC2)c(Cl)cn1 95729406 168239437 /nfs/dbraw/zinc/23/94/37/168239437.db2.gz IDIMUKKQOLFTTR-UHFFFAOYSA-N 0 0 199.637 2.285 10 0 AEAERN COc1cc([C@@H](C)OC)ccc1O 200118195 168239489 /nfs/dbraw/zinc/23/94/89/168239489.db2.gz LHJPQBCBIBACEU-SSDOTTSWSA-N 0 0 182.219 2.108 10 0 AEAERN COc1cc(OC)c2[nH]cc(C)c2c1 82588454 168239548 /nfs/dbraw/zinc/23/95/48/168239548.db2.gz WVHZXTJKUKJKEY-UHFFFAOYSA-N 0 0 191.230 2.494 10 0 AEAERN COc1cc(SC)ccc1O 34545761 168239589 /nfs/dbraw/zinc/23/95/89/168239589.db2.gz PKJBKCJDRDHTGZ-UHFFFAOYSA-N 0 0 170.233 2.123 10 0 AEAERN COc1cc(OC)c(C)c(OC)c1C 2558118 168239634 /nfs/dbraw/zinc/23/96/34/168239634.db2.gz VLVWZVVKXPHMMJ-UHFFFAOYSA-N 0 0 196.246 2.329 10 0 AEAERN COc1cc(SC)c(C=O)s1 39258439 168239636 /nfs/dbraw/zinc/23/96/36/168239636.db2.gz VMWYZHUEWKSSRA-UHFFFAOYSA-N 0 0 188.273 2.291 10 0 AEAERN COc1cc(OC2CC2)ccc1C=O 95728314 168239642 /nfs/dbraw/zinc/23/96/42/168239642.db2.gz QEDHJTHCXOZODT-UHFFFAOYSA-N 0 0 192.214 2.049 10 0 AEAERN COc1cc(OC)c2cc(C)[nH]c2c1 34091663 168239691 /nfs/dbraw/zinc/23/96/91/168239691.db2.gz XLXDVFVOFZYVGE-UHFFFAOYSA-N 0 0 191.230 2.494 10 0 AEAERN COc1cc2cc(C)[nH]c2cc1C=O 76633373 168239937 /nfs/dbraw/zinc/23/99/37/168239937.db2.gz XWQARRCPZHGNAZ-UHFFFAOYSA-N 0 0 189.214 2.297 10 0 AEAERN COc1cc2[nH]ccc2nc1Cl 89221355 168240000 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168240836 /nfs/dbraw/zinc/24/08/36/168240836.db2.gz JXFPCSJDZVAKNB-UHFFFAOYSA-N 0 0 190.242 2.387 10 0 AEAERN COc1cc2ccccc2c(C=O)n1 75577555 168240928 /nfs/dbraw/zinc/24/09/28/168240928.db2.gz FZKSXLMVSYGWCF-UHFFFAOYSA-N 0 0 187.198 2.056 10 0 AEAERN COc1cc2c(cc1O)[C@H](C)CC2=O 75580584 168240946 /nfs/dbraw/zinc/24/09/46/168240946.db2.gz GBFRANQXFUTCDQ-ZCFIWIBFSA-N 0 0 192.214 2.091 10 0 AEAERN COc1cc2c(c(OC)c1)CCC2 41200384 168241039 /nfs/dbraw/zinc/24/10/39/168241039.db2.gz MOQGYMRQCJOIOT-UHFFFAOYSA-N 0 0 178.231 2.193 10 0 AEAERN COc1cc2c(=O)ccoc2cc1C 38312631 168241078 /nfs/dbraw/zinc/24/10/78/168241078.db2.gz CIKBOCIJHYMDIO-UHFFFAOYSA-N 0 0 190.198 2.110 10 0 AEAERN COc1cc2c(cc1C=O)C=CCC2 72142460 168241105 /nfs/dbraw/zinc/24/11/05/168241105.db2.gz SZMJBTXXODAKHB-UHFFFAOYSA-N 0 0 188.226 2.467 10 0 AEAERN COc1cc2ccc(Cl)nc2cn1 71613409 168241253 /nfs/dbraw/zinc/24/12/53/168241253.db2.gz WFAQOKONDXEOPE-UHFFFAOYSA-N 0 0 194.621 2.292 10 0 AEAERN COc1cc2ccc(=O)oc2cc1C 95935985 168241300 /nfs/dbraw/zinc/24/13/00/168241300.db2.gz NTRFZCQQXAQEPV-UHFFFAOYSA-N 0 0 190.198 2.110 10 0 AEAERN COc1cc2c(cc1C=O)CCC=C2 75578548 168241308 /nfs/dbraw/zinc/24/13/08/168241308.db2.gz UGHURFWHXWUDPO-UHFFFAOYSA-N 0 0 188.226 2.467 10 0 AEAERN COc1cc2cc(C)oc2cc1N 82398405 168241350 /nfs/dbraw/zinc/24/13/50/168241350.db2.gz WOVYJHVSEQFFJG-UHFFFAOYSA-N 0 0 177.203 2.332 10 0 AEAERN COc1cc2c[nH]cc2cc1OC 100241991 168241394 /nfs/dbraw/zinc/24/13/94/168241394.db2.gz UACYUNYHUSKWDP-UHFFFAOYSA-N 0 0 177.203 2.185 10 0 AEAERN COc1cc2c(cc1Cl)NCC2 82588056 168241426 /nfs/dbraw/zinc/24/14/26/168241426.db2.gz IXWORRFFTDLTSO-UHFFFAOYSA-N 0 0 183.638 2.317 10 0 in-vitro AEAERN COc1cc2ccccc2n1C 146805266 168241455 /nfs/dbraw/zinc/24/14/55/168241455.db2.gz ADCXVOYRRXVHHF-UHFFFAOYSA-N 0 0 161.204 2.187 10 0 AEAERN COc1cc2cc(C=O)[nH]c2cc1C 82391027 168241467 /nfs/dbraw/zinc/24/14/67/168241467.db2.gz YBAMRXSWWQHJAZ-UHFFFAOYSA-N 0 0 189.214 2.297 10 0 AEAERN COc1cc2c(cc1OC)OC=CC2 13376284 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/nfs/dbraw/zinc/24/21/37/168242137.db2.gz HLQTYXDFPXBNLZ-UHFFFAOYSA-N 0 0 188.230 2.096 10 0 AEAERN COc1ccc(-c2ncc[nH]2)c(F)c1 75898992 168242146 /nfs/dbraw/zinc/24/21/46/168242146.db2.gz OIORLZZRLNBGNY-UHFFFAOYSA-N 0 0 192.193 2.224 10 0 AEAERN COc1ccc(-c2cnoc2)cc1 72194445 168242193 /nfs/dbraw/zinc/24/21/93/168242193.db2.gz UMJHMCOCCDYXOE-UHFFFAOYSA-N 0 0 175.187 2.350 10 0 AEAERN COc1cc2nc(C)oc2cc1OC 62521913 168242195 /nfs/dbraw/zinc/24/21/95/168242195.db2.gz DHPCXYYUFZZGKA-UHFFFAOYSA-N 0 0 193.202 2.153 10 0 AEAERN COc1cc2sc(C)nc2cc1N 85436282 168242219 /nfs/dbraw/zinc/24/22/19/168242219.db2.gz PBONACPBKPDBEW-UHFFFAOYSA-N 0 0 194.259 2.196 10 0 AEAERN COc1ccc(-c2cn(C)cn2)cc1 3600716 168242236 /nfs/dbraw/zinc/24/22/36/168242236.db2.gz IWUMIMWFLSUQER-UHFFFAOYSA-N 0 0 188.230 2.096 10 0 AEAERN COc1ccc(-c2ccn(C)n2)cc1 144453474 168242587 /nfs/dbraw/zinc/24/25/87/168242587.db2.gz MMKDDCKKUXUXJB-UHFFFAOYSA-N 0 0 188.230 2.096 10 0 AEAERN COc1ccc(-c2ncon2)cc1C 96102577 168242624 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0 181.260 2.315 10 0 AEAERN CSc1c(F)ccc(C)c1N 75926549 168309955 /nfs/dbraw/zinc/30/99/55/168309955.db2.gz BEXWQAYCLIBBEC-UHFFFAOYSA-N 0 0 171.240 2.438 10 0 AEAERN CSc1c(N)cc(F)c(F)c1F 75926597 168310027 /nfs/dbraw/zinc/31/00/27/168310027.db2.gz BPBRCWFMQQLZCN-UHFFFAOYSA-N 0 0 193.193 2.408 10 0 AEAERN CSc1c(OC2CC2)ccnc1F 95732544 168310038 /nfs/dbraw/zinc/31/00/38/168310038.db2.gz MWTMHTKZLAWLKQ-UHFFFAOYSA-N 0 0 199.250 2.484 10 0 AEAERN CSc1cc(C(C)(C)C)[nH]n1 4301769 168310052 /nfs/dbraw/zinc/31/00/52/168310052.db2.gz DXZIRUOMQMUUFL-UHFFFAOYSA-N 0 0 170.281 2.429 10 0 AEAERN CSc1cc(NC(C)=O)ccc1O 5160678 168310057 /nfs/dbraw/zinc/31/00/57/168310057.db2.gz KNDKLDWGYWQCCJ-UHFFFAOYSA-N 0 0 197.259 2.073 10 0 in-vitro AEAERN CSc1cc(C)c(N)cc1F 75926546 168310075 /nfs/dbraw/zinc/31/00/75/168310075.db2.gz QMBNTPWXNJKZDN-UHFFFAOYSA-N 0 0 171.240 2.438 10 0 AEAERN CSc1cc(N)cc2[nH]ccc12 63022898 168310150 /nfs/dbraw/zinc/31/01/50/168310150.db2.gz QBKCBZVONZWCQC-UHFFFAOYSA-N 0 0 178.260 2.472 10 0 AEAERN CSc1ccc(/C=C/NC=O)cc1 169335676 168310233 /nfs/dbraw/zinc/31/02/33/168310233.db2.gz RCFJHAXITVRPCT-VOTSOKGWSA-N 0 0 193.271 2.125 10 0 AEAERN CSc1ccc(NC(C)=O)c(O)c1 3647270 168310252 /nfs/dbraw/zinc/31/02/52/168310252.db2.gz IKPKDLXWMIYKLL-UHFFFAOYSA-N 0 0 197.259 2.073 10 0 AEAERN CSc1ccc(CC(N)=S)cc1 83342846 168310258 /nfs/dbraw/zinc/31/02/58/168310258.db2.gz CDVCGQPKRKSFDA-UHFFFAOYSA-N 0 0 197.328 2.237 10 0 AEAERN CSc1ccc(O)c(N(C)C)c1 95719729 168310302 /nfs/dbraw/zinc/31/03/02/168310302.db2.gz SBPSOLIKBCOZCX-UHFFFAOYSA-N 0 0 183.276 2.180 10 0 AEAERN CSc1ccc(N)c(OC(C)C)n1 38063466 168310318 /nfs/dbraw/zinc/31/03/18/168310318.db2.gz NXERWWVLKJBHBY-UHFFFAOYSA-N 0 0 198.291 2.173 10 0 AEAERN CSc1ccc(O)cc1N(C)C 95719589 168310329 /nfs/dbraw/zinc/31/03/29/168310329.db2.gz AKLQSNVGOCZKOY-UHFFFAOYSA-N 0 0 183.276 2.180 10 0 AEAERN CSc1ccc(C=O)c(SC)n1 75601375 168310455 /nfs/dbraw/zinc/31/04/55/168310455.db2.gz JJUBVRUGNVALNF-UHFFFAOYSA-N 0 0 199.300 2.338 10 0 AEAERN CSc1ccc(F)c(N)c1F 75926564 168310457 /nfs/dbraw/zinc/31/04/57/168310457.db2.gz QGQRGIMGYKRNSQ-UHFFFAOYSA-N 0 0 175.203 2.269 10 0 AEAERN CSc1ccc(OC2CC2)cn1 95724678 168310464 /nfs/dbraw/zinc/31/04/64/168310464.db2.gz NZLWTRCVQJJBGR-UHFFFAOYSA-N 0 0 181.260 2.345 10 0 AEAERN CSc1ccc(N(C)C)c(O)c1 95720392 168310762 /nfs/dbraw/zinc/31/07/62/168310762.db2.gz XLQHFKAELFTSPP-UHFFFAOYSA-N 0 0 183.276 2.180 10 0 AEAERN CSc1ccc(N)c(C)c1 34278441 168310803 /nfs/dbraw/zinc/31/08/03/168310803.db2.gz JKYNEUYDCSNWAO-UHFFFAOYSA-N 0 0 153.250 2.299 10 0 AEAERN CSc1ccc(O)c(F)c1 34174303 168310821 /nfs/dbraw/zinc/31/08/21/168310821.db2.gz MHMAXEQZZBOSTQ-UHFFFAOYSA-N 0 0 158.197 2.253 10 0 AEAERN CSc1ccc(N(C)C)cc1N 83224005 168310875 /nfs/dbraw/zinc/31/08/75/168310875.db2.gz RCRKTMGAXQQAKJ-UHFFFAOYSA-N 0 0 182.292 2.057 10 0 AEAERN CSc1ccc(C[C@@H](C)NO)cc1 48999484 168310969 /nfs/dbraw/zinc/31/09/69/168310969.db2.gz WSDWYDJPBFHVDU-MRVPVSSYSA-N 0 0 197.303 2.318 10 0 in-vivo AEAERN CSc1ccc(F)c(N)c1 75915327 168311003 /nfs/dbraw/zinc/31/10/03/168311003.db2.gz NMTCRKUTSBPWRB-UHFFFAOYSA-N 0 0 157.213 2.130 10 0 AEAERN CSc1ccc(OC2CC2)c(F)n1 95732911 168311053 /nfs/dbraw/zinc/31/10/53/168311053.db2.gz JYPDBWRJJSJPRW-UHFFFAOYSA-N 0 0 199.250 2.484 10 0 AEAERN CSc1ccc(F)c(CO)c1 75925942 168311181 /nfs/dbraw/zinc/31/11/81/168311181.db2.gz FFNHWQSQMZEOGT-UHFFFAOYSA-N 0 0 172.224 2.040 10 0 AEAERN CSc1ccc(N)c(F)c1F 75926569 168311278 /nfs/dbraw/zinc/31/12/78/168311278.db2.gz MQNLCCGUMUWGHH-UHFFFAOYSA-N 0 0 175.203 2.269 10 0 AEAERN CSc1ccc(CCCO)cc1 39192349 168311375 /nfs/dbraw/zinc/31/13/75/168311375.db2.gz PBRZSDNPNGKPJA-UHFFFAOYSA-N 0 0 182.288 2.333 10 0 AEAERN CSc1ccc(NCCCO)cc1 48695720 168311376 /nfs/dbraw/zinc/31/13/76/168311376.db2.gz GJTYVIPGQVHHBH-UHFFFAOYSA-N 0 0 197.303 2.203 10 0 AEAERN CSc1ccc(C(C)=O)nc1 39072077 168311391 /nfs/dbraw/zinc/31/13/91/168311391.db2.gz AIOWBHJUPHILTG-UHFFFAOYSA-N 0 0 167.233 2.006 10 0 AEAERN CSc1ccc(N)cc1C 34729686 168311411 /nfs/dbraw/zinc/31/14/11/168311411.db2.gz WEUDTYCZYFRFEV-UHFFFAOYSA-N 0 0 153.250 2.299 10 0 AEAERN CSc1ccc(C(C)=O)cn1 90556961 168311462 /nfs/dbraw/zinc/31/14/62/168311462.db2.gz LNQOQKWARJEFRS-UHFFFAOYSA-N 0 0 167.233 2.006 10 0 AEAERN CSc1ccc(C[C@H](C)NO)cc1 48999482 168311504 /nfs/dbraw/zinc/31/15/04/168311504.db2.gz WSDWYDJPBFHVDU-QMMMGPOBSA-N 0 0 197.303 2.318 10 0 in-vivo AEAERN CSc1ccc(C)cc1N 37193259 168311530 /nfs/dbraw/zinc/31/15/30/168311530.db2.gz CQADJUYIQFUHHE-UHFFFAOYSA-N 0 0 153.250 2.299 10 0 AEAERN CSc1ccnc(C(F)(F)F)n1 26440860 168311811 /nfs/dbraw/zinc/31/18/11/168311811.db2.gz SYTWDOAJRJAHSF-UHFFFAOYSA-N 0 0 194.181 2.217 10 0 AEAERN CSc1cccc(=S)n1C 39124704 168311903 /nfs/dbraw/zinc/31/19/03/168311903.db2.gz APAHSKZXLGWUTC-UHFFFAOYSA-N 0 0 171.290 2.476 10 0 AEAERN CSc1ccc2c(c1)C(=O)CCO2 39438215 168311948 /nfs/dbraw/zinc/31/19/48/168311948.db2.gz WYMGZBHQUMRPJN-UHFFFAOYSA-N 0 0 194.255 2.374 10 0 AEAERN CSc1ccc2onc(N)c2c1 299889849 168311952 /nfs/dbraw/zinc/31/19/52/168311952.db2.gz PQYTZPRSLHKNCN-UHFFFAOYSA-N 0 0 180.232 2.132 10 0 AEAERN CSc1cccc(C)c1O 39419480 168312042 /nfs/dbraw/zinc/31/20/42/168312042.db2.gz MRCQDFNEMYBGIV-UHFFFAOYSA-N 0 0 154.234 2.423 10 0 AEAERN CSc1ccn(C)c(=S)c1 39124587 168312077 /nfs/dbraw/zinc/31/20/77/168312077.db2.gz NDKXCFGUBZQHNY-UHFFFAOYSA-N 0 0 171.290 2.476 10 0 AEAERN CSc1ccsc1C=O 39254855 168312312 /nfs/dbraw/zinc/31/23/12/168312312.db2.gz QJGKPHFEDVSHGL-UHFFFAOYSA-N 0 0 158.247 2.283 10 0 AEAERN CSc1ccccc1OC(C)=O 5883445 168312443 /nfs/dbraw/zinc/31/24/43/168312443.db2.gz AVQLMCFSPDGCKF-UHFFFAOYSA-N 0 0 182.244 2.334 10 0 AEAERN CSc1ccnc(Cl)c1N 95616444 168312532 /nfs/dbraw/zinc/31/25/32/168312532.db2.gz LXDKHYMVDBAVBD-UHFFFAOYSA-N 0 0 174.656 2.039 10 0 AEAERN CSc1ccc2c(N)noc2c1 299890420 168312537 /nfs/dbraw/zinc/31/25/37/168312537.db2.gz ZKMQBGYSHPGBNI-UHFFFAOYSA-N 0 0 180.232 2.132 10 0 AEAERN CSc1ccc2ncsc2n1 89229853 168312606 /nfs/dbraw/zinc/31/26/06/168312606.db2.gz IWCHKNRNPCMMSX-UHFFFAOYSA-N 0 0 182.273 2.413 10 0 AEAERN CSc1cccc(NCCCO)c1 41579698 168312616 /nfs/dbraw/zinc/31/26/16/168312616.db2.gz OUKBYZVXXKRAQP-UHFFFAOYSA-N 0 0 197.303 2.203 10 0 AEAERN CSc1cccc2c(N)noc12 299889493 168312622 /nfs/dbraw/zinc/31/26/22/168312622.db2.gz KDNGCHYUQJTOBP-UHFFFAOYSA-N 0 0 180.232 2.132 10 0 AEAERN CSc1cccc(O)c1C 75541728 168312694 /nfs/dbraw/zinc/31/26/94/168312694.db2.gz CDIZOEKTYOZWDB-UHFFFAOYSA-N 0 0 154.234 2.423 10 0 AEAERN CSc1cccc(C)c1NC(N)=O 306305464 168312785 /nfs/dbraw/zinc/31/27/85/168312785.db2.gz DBAFFRTVMHMTQU-UHFFFAOYSA-N 0 0 196.275 2.208 10 0 AEAERN CSc1ccc2c[nH]nc2c1 34515665 168312808 /nfs/dbraw/zinc/31/28/08/168312808.db2.gz HQXOUYBGFUBCPZ-UHFFFAOYSA-N 0 0 164.233 2.285 10 0 AEAERN CSc1ccncc1OC1CC1 95726806 168312821 /nfs/dbraw/zinc/31/28/21/168312821.db2.gz LWWBQFJHHUEXDH-UHFFFAOYSA-N 0 0 181.260 2.345 10 0 AEAERN CSc1ccc2[nH]cnc2c1 78192906 168312946 /nfs/dbraw/zinc/31/29/46/168312946.db2.gz WPZAUVRYUCIFAI-UHFFFAOYSA-N 0 0 164.233 2.285 10 0 AEAERN CSc1cccc2[nH]cnc12 89195201 168313022 /nfs/dbraw/zinc/31/30/22/168313022.db2.gz JUTPYDIIOLJRQN-UHFFFAOYSA-N 0 0 164.233 2.285 10 0 AEAERN CSc1cccc(F)c1N 36419803 168313033 /nfs/dbraw/zinc/31/30/33/168313033.db2.gz RSYJRZBBTNYMNJ-UHFFFAOYSA-N 0 0 157.213 2.130 10 0 AEAERN CSc1cccc(N)c1F 75915329 168313087 /nfs/dbraw/zinc/31/30/87/168313087.db2.gz NZQDSUHWELKEKM-UHFFFAOYSA-N 0 0 157.213 2.130 10 0 AEAERN CSc1ccc2cc[nH]c(=O)c2c1 77254052 168313120 /nfs/dbraw/zinc/31/31/20/168313120.db2.gz VRMNYNRJBNBASE-UHFFFAOYSA-N 0 0 191.255 2.250 10 0 AEAERN CSc1ccc2[nH]ccc2n1 89220926 168313130 /nfs/dbraw/zinc/31/31/30/168313130.db2.gz LFDFAEBRQDQFSS-UHFFFAOYSA-N 0 0 164.233 2.285 10 0 AEAERN CSc1ccnc(F)c1OC1CC1 95733177 168313142 /nfs/dbraw/zinc/31/31/42/168313142.db2.gz KGGLVQAYIXWUTC-UHFFFAOYSA-N 0 0 199.250 2.484 10 0 AEAERN CSc1cccc(O)c1N(C)C 95719893 168313253 /nfs/dbraw/zinc/31/32/53/168313253.db2.gz HLQCNYWPFCKVTO-UHFFFAOYSA-N 0 0 183.276 2.180 10 0 AEAERN CSc1ccc2c(c1)NCCN2 39114267 168313274 /nfs/dbraw/zinc/31/32/74/168313274.db2.gz FPKLJZMGQKVXJR-UHFFFAOYSA-N 0 0 180.276 2.246 10 0 AEAERN CSc1ccc2c(c1)NCCO2 74540821 168313306 /nfs/dbraw/zinc/31/33/06/168313306.db2.gz IWYOFQGZOJPZFS-UHFFFAOYSA-N 0 0 181.260 2.213 10 0 AEAERN CSc1cccc([Si](C)(C)C)n1 196058730 168313315 /nfs/dbraw/zinc/31/33/15/168313315.db2.gz DXPJMFNPVFXSIY-UHFFFAOYSA-N 0 0 197.379 2.349 10 0 AEAERN CSc1cccc(CO)c1F 75925945 168313336 /nfs/dbraw/zinc/31/33/36/168313336.db2.gz VANRDCUCGKBALN-UHFFFAOYSA-N 0 0 172.224 2.040 10 0 AEAERN CSc1ccoc1C(C)=O 82326539 168313376 /nfs/dbraw/zinc/31/33/76/168313376.db2.gz XRPYVNIYAIFIFS-UHFFFAOYSA-N 0 0 156.206 2.204 10 0 AEAERN CSc1cnc(F)c(OC2CC2)c1 95732381 168313529 /nfs/dbraw/zinc/31/35/29/168313529.db2.gz PFERGFZGBPWMMW-UHFFFAOYSA-N 0 0 199.250 2.484 10 0 AEAERN CSc1nc2cc(C=O)ccc2[nH]1 82388750 168313571 /nfs/dbraw/zinc/31/35/71/168313571.db2.gz FOWCBNIZJSJPQS-UHFFFAOYSA-N 0 0 192.243 2.097 10 0 AEAERN CSc1cncc(F)c1OC1CC1 95733303 168313665 /nfs/dbraw/zinc/31/36/65/168313665.db2.gz XVAJNPFVGAHUOY-UHFFFAOYSA-N 0 0 199.250 2.484 10 0 AEAERN CSc1nc(C)ccc1C(C)=O 98103001 168313780 /nfs/dbraw/zinc/31/37/80/168313780.db2.gz OHBLKQCDFNWQNA-UHFFFAOYSA-N 0 0 181.260 2.315 10 0 AEAERN CSc1cncc(N[C@@H]2C[C@H]2C)n1 307225334 168313940 /nfs/dbraw/zinc/31/39/40/168313940.db2.gz CRYFTYVYQAUBOC-RNFRBKRXSA-N 0 0 195.291 2.019 10 0 AEAERN CSc1nc(C)oc1C 21999174 168313986 /nfs/dbraw/zinc/31/39/86/168313986.db2.gz JJVKCCPHUFFTQJ-UHFFFAOYSA-N 0 0 143.211 2.013 10 0 AEAERN CSc1nc(C)c(C(C)=O)s1 84226222 168314050 /nfs/dbraw/zinc/31/40/50/168314050.db2.gz KREOOAAKWCONNP-UHFFFAOYSA-N 0 0 187.289 2.376 10 0 AEAERN CSc1cnccc1C 39051453 168314120 /nfs/dbraw/zinc/31/41/20/168314120.db2.gz GBQOUNYOJQDTMR-UHFFFAOYSA-N 0 0 139.223 2.112 10 0 AEAERN CSc1cncc(N[C@@H]2C[C@@H]2C)n1 307353525 168314186 /nfs/dbraw/zinc/31/41/86/168314186.db2.gz CRYFTYVYQAUBOC-NKWVEPMBSA-N 0 0 195.291 2.019 10 0 AEAERN CSc1nc2c(s1)[C@@H](C)NC2 82391980 168314312 /nfs/dbraw/zinc/31/43/12/168314312.db2.gz LJGLUQSUDNBDND-SCSAIBSYSA-N 0 0 186.305 2.029 10 0 AEAERN CSc1nc2c(s1)[C@H](C)NC2 82391981 168314378 /nfs/dbraw/zinc/31/43/78/168314378.db2.gz LJGLUQSUDNBDND-BYPYZUCNSA-N 0 0 186.305 2.029 10 0 AEAERN CSc1cnc(F)cc1OC1CC1 95733248 168314463 /nfs/dbraw/zinc/31/44/63/168314463.db2.gz DQSQXHISXWVEHN-UHFFFAOYSA-N 0 0 199.250 2.484 10 0 AEAERN CSc1cncc(N[C@H]2C[C@@H]2C)n1 307353524 168314565 /nfs/dbraw/zinc/31/45/65/168314565.db2.gz CRYFTYVYQAUBOC-BQBZGAKWSA-N 0 0 195.291 2.019 10 0 AEAERN CSc1nnc(C2CCCC2)[nH]1 32789347 168314732 /nfs/dbraw/zinc/31/47/32/168314732.db2.gz MCLRZBKQUSTFLK-UHFFFAOYSA-N 0 0 183.280 2.184 10 0 AEAERN CSc1nc2cc(N)ccc2o1 42143008 168314815 /nfs/dbraw/zinc/31/48/15/168314815.db2.gz KHHUUGHXMAEQJQ-UHFFFAOYSA-N 0 0 180.232 2.132 10 0 AEAERN CSc1cnccc1OC1CC1 95723235 168314842 /nfs/dbraw/zinc/31/48/42/168314842.db2.gz HSXSKVZISVYYNA-UHFFFAOYSA-N 0 0 181.260 2.345 10 0 AEAERN CSc1nc(SC)c(C)o1 21999182 168314887 /nfs/dbraw/zinc/31/48/87/168314887.db2.gz LWOBTTPBRLOMEL-UHFFFAOYSA-N 0 0 175.278 2.427 10 0 AEAERN CSc1csc(C=O)c1 39063196 168314954 /nfs/dbraw/zinc/31/49/54/168314954.db2.gz XHZNAVGIIWHCFW-UHFFFAOYSA-N 0 0 158.247 2.283 10 0 AEAERN CSc1nc2ccc(N)cc2o1 42142637 168314959 /nfs/dbraw/zinc/31/49/59/168314959.db2.gz RSNAEMBWWOBECK-UHFFFAOYSA-N 0 0 180.232 2.132 10 0 AEAERN CSc1cncc(OC2CC2)c1 95721861 168315100 /nfs/dbraw/zinc/31/51/00/168315100.db2.gz JNEAZHOWUDEIAZ-UHFFFAOYSA-N 0 0 181.260 2.345 10 0 AEAERN CSc1nc2s[nH]c(C)c-2n1 27866146 168315110 /nfs/dbraw/zinc/31/51/10/168315110.db2.gz BUQFCEUMSLEMMA-UHFFFAOYSA-N 0 0 185.277 2.050 10 0 AEAERN CSc1cncc(OC2CC2)c1F 95733355 168315197 /nfs/dbraw/zinc/31/51/97/168315197.db2.gz WIACMYXHXXWOGB-UHFFFAOYSA-N 0 0 199.250 2.484 10 0 AEAERN CSc1nc2c(c(=S)[nH]1)CCC2 1646289 168315214 /nfs/dbraw/zinc/31/52/14/168315214.db2.gz CDGTYLCMWIIVOX-UHFFFAOYSA-N 0 0 198.316 2.350 10 0 AEAERN CSc1nc(F)ccc1OC1CC1 95733434 168315253 /nfs/dbraw/zinc/31/52/53/168315253.db2.gz ZFTCKJLEOXRDFV-UHFFFAOYSA-N 0 0 199.250 2.484 10 0 AEAERN CSc1nc2cc(F)ccc2n1C 95922665 168315257 /nfs/dbraw/zinc/31/52/57/168315257.db2.gz ZEFOXTUBQLEWMK-UHFFFAOYSA-N 0 0 196.250 2.434 10 0 AEAERN CSc1nc(-c2ccccc2)no1 28240492 168315365 /nfs/dbraw/zinc/31/53/65/168315365.db2.gz LRDUJHPJSNSGDT-UHFFFAOYSA-N 0 0 192.243 2.459 10 0 AEAERN CSc1cncc(N[C@H]2C[C@H]2C)n1 307353527 168315397 /nfs/dbraw/zinc/31/53/97/168315397.db2.gz CRYFTYVYQAUBOC-RQJHMYQMSA-N 0 0 195.291 2.019 10 0 AEAERN CSc1nc(Cl)cc(CF)n1 26466641 168315406 /nfs/dbraw/zinc/31/54/06/168315406.db2.gz GSWALEMIGCGJGW-UHFFFAOYSA-N 0 0 192.646 2.321 10 0 AEAERN CSc1ncc(F)cc1C(C)=O 87493320 168315647 /nfs/dbraw/zinc/31/56/47/168315647.db2.gz ALBUULVTDRMVCR-UHFFFAOYSA-N 0 0 185.223 2.145 10 0 AEAERN CSc1nccc(C2CC2)n1 38540111 168315649 /nfs/dbraw/zinc/31/56/49/168315649.db2.gz QSFHQUAETOYTCV-UHFFFAOYSA-N 0 0 166.249 2.076 10 0 AEAERN CSc1ncc(Cl)cc1N 83570741 168315901 /nfs/dbraw/zinc/31/59/01/168315901.db2.gz RRQAEEGTIMFCFL-UHFFFAOYSA-N 0 0 174.656 2.039 10 0 AEAERN CSc1nccc(F)c1OC1CC1 95733695 168315955 /nfs/dbraw/zinc/31/59/55/168315955.db2.gz QQVSLGVGKVSUMQ-UHFFFAOYSA-N 0 0 199.250 2.484 10 0 AEAERN CSc1ncc(OC2CC2)cc1F 95733626 168315957 /nfs/dbraw/zinc/31/59/57/168315957.db2.gz OYGBILMBJZOUKI-UHFFFAOYSA-N 0 0 199.250 2.484 10 0 AEAERN CSc1ncc([C@H](C)F)cn1 39121216 168316016 /nfs/dbraw/zinc/31/60/16/168316016.db2.gz ARDUSBKMCCYCBL-YFKPBYRVSA-N 0 0 172.228 2.229 10 0 AEAERN CSc1ncc(F)cc1OC1CC1 95733510 168316277 /nfs/dbraw/zinc/31/62/77/168316277.db2.gz REFFDMSGPZTSAF-UHFFFAOYSA-N 0 0 199.250 2.484 10 0 AEAERN CSc1ncc([C@@H](C)F)cn1 39121217 168316707 /nfs/dbraw/zinc/31/67/07/168316707.db2.gz ARDUSBKMCCYCBL-RXMQYKEDSA-N 0 0 172.228 2.229 10 0 AEAERN CSc1nccc(OC2CC2)c1F 95733739 168316722 /nfs/dbraw/zinc/31/67/22/168316722.db2.gz ZIWQDNYSRNNGFH-UHFFFAOYSA-N 0 0 199.250 2.484 10 0 AEAERN CSc1ncccc1OC1CC1 95722973 168316724 /nfs/dbraw/zinc/31/67/24/168316724.db2.gz ZFCIAJTUKQNTMN-UHFFFAOYSA-N 0 0 181.260 2.345 10 0 AEAERN CSc1nccc2ncccc12 38873445 168316916 /nfs/dbraw/zinc/31/69/16/168316916.db2.gz QRJYLLLSYFMZFJ-UHFFFAOYSA-N 0 0 176.244 2.352 10 0 AEAERN CSc1nc2ccncc2s1 95080140 168316961 /nfs/dbraw/zinc/31/69/61/168316961.db2.gz UMCLGTTWFKZZAV-UHFFFAOYSA-N 0 0 182.273 2.413 10 0 AEAERN CSc1scc(C)c1N 59355180 168317198 /nfs/dbraw/zinc/31/71/98/168317198.db2.gz IZTYASNZLWWUTD-UHFFFAOYSA-N 0 0 159.279 2.361 10 0 AEAERN CSc1onc2c1CCCC2 104395157 168317469 /nfs/dbraw/zinc/31/74/69/168317469.db2.gz NKJSOALKVVKODE-UHFFFAOYSA-N 0 0 169.249 2.275 10 0 AEAERN CSc1nsc(NC(C)C)n1 75825530 168317588 /nfs/dbraw/zinc/31/75/88/168317588.db2.gz CGNGCIISYOQQAG-UHFFFAOYSA-N 0 0 189.309 2.080 10 0 AEAERN C[C@@H](/C=C/c1ccccc1)CO 2508112 168318444 /nfs/dbraw/zinc/31/84/44/168318444.db2.gz ICQGZSWKLHHNPD-JARNTUPDSA-N 0 0 162.232 2.328 10 0 AEAERN CSc1sccc1CCCO 44396027 168318590 /nfs/dbraw/zinc/31/85/90/168318590.db2.gz PXFKNASOVJUAEX-UHFFFAOYSA-N 0 0 188.317 2.395 10 0 AEAERN C[C@@H](C(=O)N1CC[C@H]1C1CC1)C1CC1 334891925 168324719 /nfs/dbraw/zinc/32/47/19/168324719.db2.gz KCAIFIHPEHSNTG-KCJUWKMLSA-N 0 0 193.290 2.043 10 0 AEAERN C[C@@H](C(=O)N[C@H]1CC12CC2)C1CCC1 335378991 168324733 /nfs/dbraw/zinc/32/47/33/168324733.db2.gz VORHOTMZWNMWFV-SCZZXKLOSA-N 0 0 193.290 2.091 10 0 AEAERN C[C@@H](C(=O)N[C@@H]1CC12CC2)C1CCC1 335378990 168324782 /nfs/dbraw/zinc/32/47/82/168324782.db2.gz VORHOTMZWNMWFV-PSASIEDQSA-N 0 0 193.290 2.091 10 0 AEAERN C[C@@H](C(=O)N[C@@H]1CC1(C)C)C1CCC1 336286410 168325164 /nfs/dbraw/zinc/32/51/64/168325164.db2.gz LQEQCHAGVZYSJU-PSASIEDQSA-N 0 0 195.306 2.337 10 0 AEAERN C[C@@H](C(=O)N1CCC12CCC2)C1CC1 336067870 168325235 /nfs/dbraw/zinc/32/52/35/168325235.db2.gz TUWZTDKLQGMLNM-SECBINFHSA-N 0 0 193.290 2.188 10 0 AEAERN C[C@@H](C(=O)N[C@H]1CC12CC2)C(C)(C)C 335082454 168325358 /nfs/dbraw/zinc/32/53/58/168325358.db2.gz DPGWVDGIDJRLAG-IUCAKERBSA-N 0 0 195.306 2.337 10 0 AEAERN C[C@@H](C(=O)N1CC[C@@H]1C1CC1)C1CC1 334891927 168325601 /nfs/dbraw/zinc/32/56/01/168325601.db2.gz KCAIFIHPEHSNTG-LDYMZIIASA-N 0 0 193.290 2.043 10 0 AEAERN C[C@@H](C(=O)N1CCCC1(C)C)C1CC1 335339924 168325607 /nfs/dbraw/zinc/32/56/07/168325607.db2.gz VFDLHFFHCQLLEY-SECBINFHSA-N 0 0 195.306 2.434 10 0 AEAERN C[C@@H](C(=O)N[C@@H]1CC12CC2)C(C)(C)C 335082453 168326469 /nfs/dbraw/zinc/32/64/69/168326469.db2.gz DPGWVDGIDJRLAG-DTWKUNHWSA-N 0 0 195.306 2.337 10 0 AEAERN C[C@@H](C(=O)[O-])[N@H+](C)C1CCCCCC1 36328781 168327765 /nfs/dbraw/zinc/32/77/65/168327765.db2.gz QCAVZOOHZJDMEU-VIFPVBQESA-N 0 0 199.294 2.114 10 0 AEAERN C[C@@H](C(N)=S)c1ccccc1 57903070 168328873 /nfs/dbraw/zinc/32/88/73/168328873.db2.gz REDHWACTNWGCMU-SSDOTTSWSA-N 0 0 165.261 2.076 10 0 AEAERN C[C@@H](C1CCCC1)n1nccc1N 54081612 168330659 /nfs/dbraw/zinc/33/06/59/168330659.db2.gz BWHVTQRTUIQJRZ-QMMMGPOBSA-N 0 0 179.267 2.217 10 0 AEAERN C[C@@H](C1CC1)N(C)c1ccc(C=O)o1 50544159 168331245 /nfs/dbraw/zinc/33/12/45/168331245.db2.gz BPYGFYABLOQWSJ-QMMMGPOBSA-N 0 0 193.246 2.327 10 0 AEAERN C[C@@H](C1CC1)n1cccc1C=O 35734240 168331294 /nfs/dbraw/zinc/33/12/94/168331294.db2.gz QQEOCKZBDWKLHX-QMMMGPOBSA-N 0 0 163.220 2.272 10 0 AEAERN C[C@@H](C1CC1)n1cccc1 35734244 168331525 /nfs/dbraw/zinc/33/15/25/168331525.db2.gz RWVVEWXSODZNRO-QMMMGPOBSA-N 0 0 135.210 2.459 10 0 AEAERN C[C@@H](C1CC1)n1ncc(Cl)c1N 43665469 168331612 /nfs/dbraw/zinc/33/16/12/168331612.db2.gz STYUGFOGAKGBHV-YFKPBYRVSA-N 0 0 185.658 2.090 10 0 AEAERN C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC12CC2 335563656 168331974 /nfs/dbraw/zinc/33/19/74/168331974.db2.gz VBTFLELHBICMBA-WCBMZHEXSA-N 0 0 193.290 2.043 10 0 AEAERN C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC12CC2 335563657 168332711 /nfs/dbraw/zinc/33/27/11/168332711.db2.gz VBTFLELHBICMBA-WPRPVWTQSA-N 0 0 193.290 2.043 10 0 AEAERN C[C@@H](CC(=O)N(C)C)C(C)(C)C 5368206 168333392 /nfs/dbraw/zinc/33/33/92/168333392.db2.gz YMUNKAWYPKXSSN-QMMMGPOBSA-N 0 0 171.284 2.147 10 0 AEAERN C[C@@H](CC(=O)[O-])[N@H+](C)C1CCCCC1 36302945 168333658 /nfs/dbraw/zinc/33/36/58/168333658.db2.gz LFJPPERCPLMDJP-VIFPVBQESA-N 0 0 199.294 2.114 10 0 AEAERN C[C@@H](CC(C)(C)C)C(=O)N1CCC1 335585589 168334973 /nfs/dbraw/zinc/33/49/73/168334973.db2.gz NTMZNIMEKCPDBK-VIFPVBQESA-N 0 0 183.295 2.291 10 0 AEAERN C[C@@H](CC(N)=O)c1cccc(Cl)c1 41209200 168335185 /nfs/dbraw/zinc/33/51/85/168335185.db2.gz MTPYIEZMNDTDPB-ZETCQYMHSA-N 0 0 197.665 2.319 10 0 AEAERN C[C@@H](CC(N)=O)c1ccc(Cl)cc1 34111728 168335451 /nfs/dbraw/zinc/33/54/51/168335451.db2.gz OUNZFQWGKPVBIJ-ZETCQYMHSA-N 0 0 197.665 2.319 10 0 AEAERN C[C@@H](CC(=O)[O-])[NH+]1CCCCCCC1 35752140 168335590 /nfs/dbraw/zinc/33/55/90/168335590.db2.gz QAJODPYXHZVELN-JTQLQIEISA-N 0 0 199.294 2.116 10 0 AEAERN C[C@@H](CC(N)=O)c1ccccc1Cl 41209197 168335722 /nfs/dbraw/zinc/33/57/22/168335722.db2.gz ZYMDKTGSGAPCSD-ZETCQYMHSA-N 0 0 197.665 2.319 10 0 AEAERN C[C@@H](CCC(=O)[O-])[NH+]1CCCCCC1 50956325 168336670 /nfs/dbraw/zinc/33/66/70/168336670.db2.gz WQPVKAMXQGEDGW-JTQLQIEISA-N 0 0 199.294 2.116 10 0 AEAERN C[C@@H](CCCO)Nc1cccc(F)c1 58826834 168336849 /nfs/dbraw/zinc/33/68/49/168336849.db2.gz FRMWLWMEXHPUDE-VIFPVBQESA-N 0 0 197.253 2.399 10 0 AEAERN C[C@@H](CCCO)Nc1ccccc1F 58826845 168336928 /nfs/dbraw/zinc/33/69/28/168336928.db2.gz MZPCOOFDAVYAOG-VIFPVBQESA-N 0 0 197.253 2.399 10 0 AEAERN C[C@@H](CCCC(=O)[O-])[NH+]1CCCCC1 82383662 168337181 /nfs/dbraw/zinc/33/71/81/168337181.db2.gz AGDFIUSQCAPMDB-JTQLQIEISA-N 0 0 199.294 2.116 10 0 AEAERN C[C@@H](CCCO)Nc1ccc(F)cc1 58826826 168337248 /nfs/dbraw/zinc/33/72/48/168337248.db2.gz BXMUGNCCZJBYLM-VIFPVBQESA-N 0 0 197.253 2.399 10 0 AEAERN C[C@@H](CCCO)Nc1ccccc1 58826819 168338242 /nfs/dbraw/zinc/33/82/42/168338242.db2.gz PHJZYVPIBMRAAU-JTQLQIEISA-N 0 0 179.263 2.260 10 0 AEAERN CC(C)=C1CC[C@@H](C)[C@H]1CO 135692915 343966591 /nfs/dbraw/zinc/96/65/91/343966591.db2.gz KTXQBPCXJDPGGR-PSASIEDQSA-N 0 0 154.253 2.361 10 0 AEAERN C[C@@H](CCO)c1ccccc1F 41168178 168339008 /nfs/dbraw/zinc/33/90/08/168339008.db2.gz YUVPQVJXAMZKNM-QMMMGPOBSA-N 0 0 168.211 2.312 10 0 AEAERN CNc1ncc(C(F)(F)F)s1 135706074 343966595 /nfs/dbraw/zinc/96/65/95/343966595.db2.gz GFFHYAYOQFJYCJ-UHFFFAOYSA-N 0 0 182.170 2.204 10 0 AEAERN C[C@@H](CCO)c1ccc(F)c(F)c1 41203393 168339269 /nfs/dbraw/zinc/33/92/69/168339269.db2.gz UCTWELHTDNWXII-ZETCQYMHSA-N 0 0 186.201 2.451 10 0 AEAERN C[C@@H](CCO)c1cc(F)cc(F)c1 41203411 168339468 /nfs/dbraw/zinc/33/94/68/168339468.db2.gz ZYTKTQGMRCOJFW-ZETCQYMHSA-N 0 0 186.201 2.451 10 0 AEAERN C[C@@H](CCO)c1cccc(F)c1 41168181 168339644 /nfs/dbraw/zinc/33/96/44/168339644.db2.gz VXGIDGSJACPYHN-QMMMGPOBSA-N 0 0 168.211 2.312 10 0 AEAERN C[C@@H](CCO)c1cccs1 41167291 168340036 /nfs/dbraw/zinc/34/00/36/168340036.db2.gz ICFUJVLYPZYJFH-ZETCQYMHSA-N 0 0 156.250 2.234 10 0 AEAERN C[C@@H](CCOc1ccccc1)[C@@H](C)O 43658737 168340155 /nfs/dbraw/zinc/34/01/55/168340155.db2.gz KARCRJAHSARYMQ-WDEREUQCSA-N 0 0 194.274 2.472 10 0 AEAERN C[C@@H](CO)CCC(C)(C)C 33609241 168347968 /nfs/dbraw/zinc/34/79/68/168347968.db2.gz XBNGABCTADSMHF-MRVPVSSYSA-N 0 0 144.258 2.441 10 0 AEAERN C[C@@H](CO)CNc1ccc(Cl)cc1 34463684 168347980 /nfs/dbraw/zinc/34/79/80/168347980.db2.gz VKOLNIYSAWZGAF-MRVPVSSYSA-N 0 0 199.681 2.380 10 0 AEAERN C[C@@H](CO)CCc1ccccc1 33975209 168349394 /nfs/dbraw/zinc/34/93/94/168349394.db2.gz ITWNJDOHTYFDHG-SNVBAGLBSA-N 0 0 164.248 2.248 10 0 AEAERN C[C@@H](COC(N)=O)CC(C)(C)C 84730534 168351969 /nfs/dbraw/zinc/35/19/69/168351969.db2.gz CFLVCUVLGDLLDF-SSDOTTSWSA-N 0 0 173.256 2.154 10 0 AEAERN C[C@@H](CO)Nc1cccc(Cl)c1 38113889 168352356 /nfs/dbraw/zinc/35/23/56/168352356.db2.gz AKEIFIHOMWXUPM-ZETCQYMHSA-N 0 0 185.654 2.133 10 0 AEAERN C[C@@H](Cc1c[nH]c2ccccc12)NO 2000091 168352409 /nfs/dbraw/zinc/35/24/09/168352409.db2.gz QDEFFOYILHFBSE-QMMMGPOBSA-N 0 0 190.246 2.078 10 0 AEAERN C[C@@H](CO)Nc1ccccc1Cl 38113566 168353133 /nfs/dbraw/zinc/35/31/33/168353133.db2.gz GZLYJNYJHREQMK-ZETCQYMHSA-N 0 0 185.654 2.133 10 0 AEAERN C[C@@H](CO)Nc1ccc(Cl)cc1 34333939 168353183 /nfs/dbraw/zinc/35/31/83/168353183.db2.gz IYSYAEXVVQKNLO-ZETCQYMHSA-N 0 0 185.654 2.133 10 0 AEAERN C[C@@H](CO)c1ccc2c(c1)CCC2 41199579 168353206 /nfs/dbraw/zinc/35/32/06/168353206.db2.gz ZPCFABQDUUDDGO-VIFPVBQESA-N 0 0 176.259 2.271 10 0 AEAERN C[C@@H](CO)c1ccc(Cl)cc1 32178362 168353321 /nfs/dbraw/zinc/35/33/21/168353321.db2.gz URHWBOQMDQIEDG-ZETCQYMHSA-N 0 0 170.639 2.436 10 0 in-vitro AEAERN C[C@@H](CO)Oc1cccc(Cl)c1 41203664 168353344 /nfs/dbraw/zinc/35/33/44/168353344.db2.gz PPPINLHECKYRRH-ZETCQYMHSA-N 0 0 186.638 2.100 10 0 AEAERN C[C@@H](Cc1ccsc1)[C@@H](C)O 43658693 168353833 /nfs/dbraw/zinc/35/38/33/168353833.db2.gz IMJHBSOVWUEJPY-JGVFFNPUSA-N 0 0 170.277 2.308 10 0 AEAERN C[C@@H](Cc1nc(N)n[nH]1)CC(C)(C)C 3723291 168354009 /nfs/dbraw/zinc/35/40/09/168354009.db2.gz BJOHTPOACIYNOR-ZETCQYMHSA-N 0 0 196.298 2.002 10 0 AEAERN C[C@@H](Cc1ccco1)Nc1cn[nH]c1 62769892 168354213 /nfs/dbraw/zinc/35/42/13/168354213.db2.gz MILLPLSYOLMKTD-QMMMGPOBSA-N 0 0 191.234 2.046 10 0 AEAERN C[C@@H](Cc1ccccc1Cl)C(N)=O 306395126 168354675 /nfs/dbraw/zinc/35/46/75/168354675.db2.gz HANGOGYVZXFPOW-ZETCQYMHSA-N 0 0 197.665 2.004 10 0 AEAERN C[C@@H](Cc1cccc(F)c1)[C@@H](C)O 43658678 168354871 /nfs/dbraw/zinc/35/48/71/168354871.db2.gz TYOQGOBFIGHJBD-DTWKUNHWSA-N 0 0 182.238 2.385 10 0 AEAERN C[C@@H](Cc1ccccc1)N(C)N=O 6021038 168355003 /nfs/dbraw/zinc/35/50/03/168355003.db2.gz NFDDFKGDAPQCJB-VIFPVBQESA-N 0 0 178.235 2.231 10 0 AEAERN C[C@@H](Cn1ccnc1)C(F)(F)F 307578449 168355560 /nfs/dbraw/zinc/35/55/60/168355560.db2.gz NQSNWOGBAOTVEG-LURJTMIESA-N 0 0 178.157 2.082 10 0 AEAERN C[C@@H](F)C(=O)C1CCCCC1 39054758 168356042 /nfs/dbraw/zinc/35/60/42/168356042.db2.gz UELBDTCBAJDAGP-SSDOTTSWSA-N 0 0 158.216 2.494 10 0 AEAERN C[C@@H](N(C)C(=O)C1=CCC1)C1(C)CC1 334469747 168356460 /nfs/dbraw/zinc/35/64/60/168356460.db2.gz HLCWAAWGLKMZGF-SECBINFHSA-N 0 0 193.290 2.354 10 0 AEAERN C[C@@H]([NH3+])CCCCCCCC(=O)[O-] 33822359 168360088 /nfs/dbraw/zinc/36/00/88/168360088.db2.gz FWPKWVUFQDXPBW-SECBINFHSA-N 0 0 187.283 2.149 10 0 AEAERN C[C@@H]([NH3+])c1cc(C(=O)[O-])ccc1Cl 75845070 168370908 /nfs/dbraw/zinc/37/09/08/168370908.db2.gz IAVYNXIEJFNFAR-RXMQYKEDSA-N 0 0 199.637 2.058 10 0 AEAERN C[C@@H](N)c1nc2ccc(F)c(F)c2o1 75883659 168372127 /nfs/dbraw/zinc/37/21/27/168372127.db2.gz DBVPCNFHLBADGZ-SCSAIBSYSA-N 0 0 198.172 2.126 10 0 AEAERN C[C@@H](N)c1nc2cc(F)cc(F)c2o1 75883663 168373244 /nfs/dbraw/zinc/37/32/44/168373244.db2.gz KDBWRPBECROBGD-SCSAIBSYSA-N 0 0 198.172 2.126 10 0 AEAERN C[C@@H](NC(=O)C1=CCCC1)C1CC1 306551897 168373566 /nfs/dbraw/zinc/37/35/66/168373566.db2.gz HVOHQQLTRKOGRP-MRVPVSSYSA-N 0 0 179.263 2.011 10 0 AEAERN C[C@@H](N)c1nnc(C2CCCCC2)o1 11586046 168374725 /nfs/dbraw/zinc/37/47/25/168374725.db2.gz XIXVRZVGXGXDIS-SSDOTTSWSA-N 0 0 195.266 2.137 10 0 AEAERN C[C@@H](N)c1ncc(-c2cccs2)o1 11587045 168374749 /nfs/dbraw/zinc/37/47/49/168374749.db2.gz LSZHDGSAMOVKIT-ZCFIWIBFSA-N 0 0 194.259 2.423 10 0 AEAERN C[C@@H](NC(=O)C1=CCC1)C1CCCC1 334889838 168375092 /nfs/dbraw/zinc/37/50/92/168375092.db2.gz DRLPWBVYHFWVLJ-SECBINFHSA-N 0 0 193.290 2.402 10 0 AEAERN C[C@@H](NC(=O)C1(C)CC1)C1CCCC1 335022693 168375513 /nfs/dbraw/zinc/37/55/13/168375513.db2.gz YJMUNYWPZLWVAM-SECBINFHSA-N 0 0 195.306 2.481 10 0 AEAERN C[C@@H](NC(=O)NC1CC1)C1CCCC1 123638222 168376486 /nfs/dbraw/zinc/37/64/86/168376486.db2.gz NYQCYTVEIDEHEN-MRVPVSSYSA-N 0 0 196.294 2.027 10 0 AEAERN C[C@@H](NC(N)=O)c1ccc(Cl)cc1 42227902 168377049 /nfs/dbraw/zinc/37/70/49/168377049.db2.gz WQFVOCGVEXYWQR-ZCFIWIBFSA-N 0 0 198.653 2.069 10 0 AEAERN C[C@@H](NC(N)=O)c1cccc(Cl)c1 42227894 168377700 /nfs/dbraw/zinc/37/77/00/168377700.db2.gz FGTSOUVYEPJBSG-ZCFIWIBFSA-N 0 0 198.653 2.069 10 0 AEAERN C[C@@H](NCC(F)(F)F)c1ccco1 19485917 168379965 /nfs/dbraw/zinc/37/99/65/168379965.db2.gz KKOBFXOZBZXGHJ-ZCFIWIBFSA-N 0 0 193.168 2.493 10 0 AEAERN C[C@@H](NCC(F)F)c1ccco1 37755907 168381217 /nfs/dbraw/zinc/38/12/17/168381217.db2.gz BMTJHLXUIIBXPU-ZCFIWIBFSA-N 0 0 175.178 2.195 10 0 AEAERN C[C@@H](NO)c1ccc(Cl)cc1 19728788 168382803 /nfs/dbraw/zinc/38/28/03/168382803.db2.gz JCXJKHXJTHJRAC-ZCFIWIBFSA-N 0 0 171.627 2.380 10 0 AEAERN C[C@@H](NO)c1cc2ccccc2o1 39147907 168383421 /nfs/dbraw/zinc/38/34/21/168383421.db2.gz JWNIIUSWKMZAFP-SSDOTTSWSA-N 0 0 177.203 2.473 10 0 AEAERN C[C@@H](NN)c1cc(Cl)ccc1F 82530176 168383540 /nfs/dbraw/zinc/38/35/40/168383540.db2.gz NEHDNQBAYNDMJY-RXMQYKEDSA-N 0 0 188.633 2.003 10 0 AEAERN C[C@@H](NO)c1nc2ccccc2s1 45235777 168383756 /nfs/dbraw/zinc/38/37/56/168383756.db2.gz SDOMGOJBJGZQMY-ZCFIWIBFSA-N 0 0 194.259 2.336 10 0 AEAERN C[C@@H](NN)c1ccc(F)c(Cl)c1 20078524 168384202 /nfs/dbraw/zinc/38/42/02/168384202.db2.gz DTTZENZOVGRQHA-RXMQYKEDSA-N 0 0 188.633 2.003 10 0 AEAERN C[C@@H](NO)c1c[nH]c2ccc(F)cc12 71331474 168384506 /nfs/dbraw/zinc/38/45/06/168384506.db2.gz PSHHGWZJQKGRQH-ZCFIWIBFSA-N 0 0 194.209 2.347 10 0 AEAERN C[C@@H](NO)c1c[nH]c2ccccc12 71340594 168384553 /nfs/dbraw/zinc/38/45/53/168384553.db2.gz UDVKQSGRNGQKJY-SSDOTTSWSA-N 0 0 176.219 2.208 10 0 AEAERN C[C@@H](Nc1cn[nH]c1)C1CCCC1 54078257 168385319 /nfs/dbraw/zinc/38/53/19/168385319.db2.gz NASNKBBVYBSPIQ-MRVPVSSYSA-N 0 0 179.267 2.400 10 0 AEAERN C[C@@H](Nc1cnn(C)c1)C1CCCC1 54078233 168385495 /nfs/dbraw/zinc/38/54/95/168385495.db2.gz IDEAQNWRNXGDRE-SECBINFHSA-N 0 0 193.294 2.411 10 0 AEAERN C[C@@H](Nc1cn[nH]c1)C1(C)CC1 35763559 168385580 /nfs/dbraw/zinc/38/55/80/168385580.db2.gz QPQXVQSGSSWYHZ-SSDOTTSWSA-N 0 0 165.240 2.010 10 0 AEAERN C[C@@H](Nc1ccn(C)n1)C1(C)CC1 37471858 168385691 /nfs/dbraw/zinc/38/56/91/168385691.db2.gz ZSMUNTOSOOVLHA-MRVPVSSYSA-N 0 0 179.267 2.021 10 0 AEAERN C[C@@H](Nc1ccn(C)n1)C1CCCC1 54080410 168385706 /nfs/dbraw/zinc/38/57/06/168385706.db2.gz VFTSAOFUOWKWLP-SECBINFHSA-N 0 0 193.294 2.411 10 0 AEAERN C[C@@H](Nc1cccnn1)c1ccco1 52816056 168385895 /nfs/dbraw/zinc/38/58/95/168385895.db2.gz ZNGZZOYSHZOAKP-MRVPVSSYSA-N 0 0 189.218 2.243 10 0 AEAERN C[C@@H](Nc1cn[nH]c1)c1ccco1 35763918 168385907 /nfs/dbraw/zinc/38/59/07/168385907.db2.gz JPLOWIIKCIAGIU-SSDOTTSWSA-N 0 0 177.207 2.176 10 0 AEAERN C[C@@H](Nc1ccccn1)[C@H]1CCCO1 35736174 168385975 /nfs/dbraw/zinc/38/59/75/168385975.db2.gz CKURRFVIMOCGTO-NXEZZACHSA-N 0 0 192.262 2.061 10 0 AEAERN C[C@@H](Nc1ccnc(Cl)n1)C1CC1 51849521 168386095 /nfs/dbraw/zinc/38/60/95/168386095.db2.gz MMYRYYLBYIXZPJ-ZCFIWIBFSA-N 0 0 197.669 2.340 10 0 AEAERN C[C@@H](Nc1cc(Cl)ncn1)C1CC1 48631237 168386101 /nfs/dbraw/zinc/38/61/01/168386101.db2.gz ALQDFXUOZFBHGL-ZCFIWIBFSA-N 0 0 197.669 2.340 10 0 AEAERN C[C@@H](Nc1cnccn1)c1ccco1 35135126 168386142 /nfs/dbraw/zinc/38/61/42/168386142.db2.gz AFCBPYCWCYYDCC-MRVPVSSYSA-N 0 0 189.218 2.243 10 0 AEAERN C[C@@H](Nc1cnn(C)c1)C1(C)CC1 35737429 168386199 /nfs/dbraw/zinc/38/61/99/168386199.db2.gz GEZIZHHTLUCFNM-MRVPVSSYSA-N 0 0 179.267 2.021 10 0 AEAERN C[C@@H](Nc1ccccn1)[C@@H]1CCCO1 35736172 168386249 /nfs/dbraw/zinc/38/62/49/168386249.db2.gz CKURRFVIMOCGTO-ZJUUUORDSA-N 0 0 192.262 2.061 10 0 AEAERN C[C@@H](Nc1cccnc1)C1CC1 19884306 168386282 /nfs/dbraw/zinc/38/62/82/168386282.db2.gz KNHUDEKRNJNVHR-MRVPVSSYSA-N 0 0 162.236 2.292 10 0 AEAERN C[C@@H](Nc1ccncn1)c1ccco1 40863124 168386377 /nfs/dbraw/zinc/38/63/77/168386377.db2.gz SGBXLGYJELNLHJ-MRVPVSSYSA-N 0 0 189.218 2.243 10 0 AEAERN C[C@@H](Nc1cccc(N)c1)C1CC1 35733439 168386569 /nfs/dbraw/zinc/38/65/69/168386569.db2.gz WGDNPQNSWRPDHN-MRVPVSSYSA-N 0 0 176.263 2.479 10 0 AEAERN C[C@@H](O)C(C)(C)c1ccccc1 39402433 168386765 /nfs/dbraw/zinc/38/67/65/168386765.db2.gz HGAVQGLFENEAOM-SECBINFHSA-N 0 0 164.248 2.345 10 0 AEAERN C[C@@H](O)/C=C/c1ccccc1F 77261913 168387047 /nfs/dbraw/zinc/38/70/47/168387047.db2.gz DRFBLNKGHKITLK-HYDMIIDASA-N 0 0 166.195 2.220 10 0 AEAERN C[C@@H](O)/C=C/c1ccc(F)cc1 77261917 168387194 /nfs/dbraw/zinc/38/71/94/168387194.db2.gz PJGOTHPFBLUFNY-UFUPEUMYSA-N 0 0 166.195 2.220 10 0 AEAERN C[C@@H](O)/C=C/c1cccs1 77260835 168387252 /nfs/dbraw/zinc/38/72/52/168387252.db2.gz GFWGPZXBWFIMLC-SMMXGFFBSA-N 0 0 154.234 2.142 10 0 AEAERN C[C@@H](Nc1nccs1)[C@@H]1CCCO1 35238224 168387543 /nfs/dbraw/zinc/38/75/43/168387543.db2.gz DKBVVAARBTVLJC-SFYZADRCSA-N 0 0 198.291 2.123 10 0 AEAERN C[C@@H](Nc1ncccn1)c1ccco1 35135110 168388023 /nfs/dbraw/zinc/38/80/23/168388023.db2.gz KRTOFEBOMAAHRY-MRVPVSSYSA-N 0 0 189.218 2.243 10 0 AEAERN C[C@@H](O)/C=C/c1cccc(F)c1 77261924 168388052 /nfs/dbraw/zinc/38/80/52/168388052.db2.gz SOJOGHZZGRBBKI-HQZHTGGTSA-N 0 0 166.195 2.220 10 0 AEAERN C[C@@H](Nc1nccs1)[C@H]1CCCO1 35238227 168388163 /nfs/dbraw/zinc/38/81/63/168388163.db2.gz DKBVVAARBTVLJC-HTQZYQBOSA-N 0 0 198.291 2.123 10 0 AEAERN C[C@@H](O)CCO[C@H]1CCC[C@@H](C)C1 44230369 168388503 /nfs/dbraw/zinc/38/85/03/168388503.db2.gz BBGJTSAZGYPKFX-MXWKQRLJSA-N 0 0 186.295 2.353 10 0 AEAERN C[C@@H](O)CCCCOC1CCCC1 45621334 168388634 /nfs/dbraw/zinc/38/86/34/168388634.db2.gz ISCDWEHWJPZNEK-SNVBAGLBSA-N 0 0 186.295 2.497 10 0 AEAERN C[C@@H](O)CCCOC1CCCC1 45621339 168388742 /nfs/dbraw/zinc/38/87/42/168388742.db2.gz ZMTWOTVTYDLAQX-SECBINFHSA-N 0 0 172.268 2.107 10 0 AEAERN C[C@@H](O)CCCN(C)c1ccccc1 45619050 168388745 /nfs/dbraw/zinc/38/87/45/168388745.db2.gz XLLIQJFHLOASKF-LLVKDONJSA-N 0 0 193.290 2.284 10 0 AEAERN C[C@@H](O)CCCCOC(C)(C)C 45621993 168388764 /nfs/dbraw/zinc/38/87/64/168388764.db2.gz VPAORLWPIVCCDZ-SECBINFHSA-N 0 0 174.284 2.353 10 0 AEAERN C[C@@H](O)C1=CCCCCC1 36466166 168388808 /nfs/dbraw/zinc/38/88/08/168388808.db2.gz FXROLZGTNZSYMM-MRVPVSSYSA-N 0 0 140.226 2.258 10 0 AEAERN C[C@@H](O)CCOCC1CCCCC1 52156389 168388940 /nfs/dbraw/zinc/38/89/40/168388940.db2.gz FTMFZSZEDYMNRV-SNVBAGLBSA-N 0 0 186.295 2.354 10 0 AEAERN C[C@@H](O)CC1=CCCCC1 39255685 168389017 /nfs/dbraw/zinc/38/90/17/168389017.db2.gz JHHIYIYYILGEQA-MRVPVSSYSA-N 0 0 140.226 2.258 10 0 AEAERN C[C@@H](O)CCO[C@@H]1CCC[C@@H](C)C1 44230378 168389031 /nfs/dbraw/zinc/38/90/31/168389031.db2.gz BBGJTSAZGYPKFX-GMTAPVOTSA-N 0 0 186.295 2.353 10 0 AEAERN C[C@@H](O)CCN(C)c1cccc(F)c1 50006947 168389196 /nfs/dbraw/zinc/38/91/96/168389196.db2.gz HTNJQUDQIPTADS-SECBINFHSA-N 0 0 197.253 2.033 10 0 AEAERN C[C@@H](O)CCCCn1cccc1 95704594 168389242 /nfs/dbraw/zinc/38/92/42/168389242.db2.gz LICRYJHHPGODDF-SNVBAGLBSA-N 0 0 167.252 2.039 10 0 AEAERN C[C@@H](O)CCOC1CCCCCC1 44236909 168389325 /nfs/dbraw/zinc/38/93/25/168389325.db2.gz VSVIHLOEAXFCHH-SNVBAGLBSA-N 0 0 186.295 2.497 10 0 AEAERN C[C@@H](O)CC/C=C1/CCCCO1 207101354 168389343 /nfs/dbraw/zinc/38/93/43/168389343.db2.gz ZQPAGHHVNLMTIF-SBMLRHLQSA-N 0 0 170.252 2.232 10 0 AEAERN C[C@@H](O)CCC(C)(C)C 32152400 168389402 /nfs/dbraw/zinc/38/94/02/168389402.db2.gz NMSUCVXVCHZTEH-SSDOTTSWSA-N 0 0 130.231 2.194 10 0 AEAERN C[C@@H](O)CCOC1CCCCC1 44191100 168389448 /nfs/dbraw/zinc/38/94/48/168389448.db2.gz WDLXEEJHHXZLLZ-SECBINFHSA-N 0 0 172.268 2.107 10 0 AEAERN C[C@@H](O)CCC1CCCC1 38340217 168389483 /nfs/dbraw/zinc/38/94/83/168389483.db2.gz FZTXVVINPSLOAT-MRVPVSSYSA-N 0 0 142.242 2.338 10 0 AEAERN C[C@@H](O)CCCc1ccc(O)cc1 36448259 168389517 /nfs/dbraw/zinc/38/95/17/168389517.db2.gz VMGOSGYCIMMIQH-SECBINFHSA-N 0 0 180.247 2.096 10 0 AEAERN C[C@@H](O)CCCOC1CCCCC1 45621328 168389816 /nfs/dbraw/zinc/38/98/16/168389816.db2.gz UOYXVPYAUBNGNZ-SNVBAGLBSA-N 0 0 186.295 2.497 10 0 AEAERN C[C@@H](O)CC1(C)SCCCS1 238428378 168390260 /nfs/dbraw/zinc/39/02/60/168390260.db2.gz YGYXMZPZVVVERY-SSDOTTSWSA-N 0 0 192.349 2.344 10 0 AEAERN C[C@@H](O)CCc1cccc(F)c1F 43656781 168390572 /nfs/dbraw/zinc/39/05/72/168390572.db2.gz LGMHVBJIPCHKDJ-SSDOTTSWSA-N 0 0 186.201 2.278 10 0 AEAERN C[C@@H](O)CCc1cccs1 43656718 168390725 /nfs/dbraw/zinc/39/07/25/168390725.db2.gz ZMTQZWKVBHHYTN-SSDOTTSWSA-N 0 0 156.250 2.062 10 0 AEAERN C[C@@H](O)CCc1ccsc1 44469673 168390994 /nfs/dbraw/zinc/39/09/94/168390994.db2.gz IOGDEMOJKYADTN-SSDOTTSWSA-N 0 0 156.250 2.062 10 0 AEAERN C[C@@H](O)CN(C)c1ccccc1Cl 49812093 168391212 /nfs/dbraw/zinc/39/12/12/168391212.db2.gz XYKLWADDMUXYBH-MRVPVSSYSA-N 0 0 199.681 2.157 10 0 AEAERN C[C@@H](O)CCc1ccc(F)cc1 43656754 168391525 /nfs/dbraw/zinc/39/15/25/168391525.db2.gz HBISZHZIVHQJGR-MRVPVSSYSA-N 0 0 168.211 2.139 10 0 AEAERN C[C@@H](O)CCc1ccccc1F 43656689 168391608 /nfs/dbraw/zinc/39/16/08/168391608.db2.gz VPGHDOPHBJQZLN-MRVPVSSYSA-N 0 0 168.211 2.139 10 0 AEAERN C[C@@H](O)CN(C)c1cccc(Cl)c1 49812096 168391835 /nfs/dbraw/zinc/39/18/35/168391835.db2.gz ZQYCKCDFRGCPAU-MRVPVSSYSA-N 0 0 199.681 2.157 10 0 AEAERN C[C@@H](O)CCc1cc(F)ccc1F 43656809 168391975 /nfs/dbraw/zinc/39/19/75/168391975.db2.gz PQMLTSPUABENIN-SSDOTTSWSA-N 0 0 186.201 2.278 10 0 AEAERN C[C@@H](O)CCc1cccc(F)c1 43656747 168392432 /nfs/dbraw/zinc/39/24/32/168392432.db2.gz YNXPOGQFCJDCKU-MRVPVSSYSA-N 0 0 168.211 2.139 10 0 AEAERN C[C@@H](O)CN(C)c1ccc(Cl)cc1 49812099 168392534 /nfs/dbraw/zinc/39/25/34/168392534.db2.gz RLZQEEJHPFUTGU-MRVPVSSYSA-N 0 0 199.681 2.157 10 0 AEAERN C[C@@H](O)CNc1ccccc1Cl 32007879 168395843 /nfs/dbraw/zinc/39/58/43/168395843.db2.gz CIHPAQAQIAJSFL-SSDOTTSWSA-N 0 0 185.654 2.133 10 0 AEAERN C[C@@H](O)CNc1cccc(Cl)c1 32007883 168395870 /nfs/dbraw/zinc/39/58/70/168395870.db2.gz IKEBQDAAZBVUBX-SSDOTTSWSA-N 0 0 185.654 2.133 10 0 AEAERN C[C@@H](O)CNc1ccc(Cl)cc1 32007886 168395875 /nfs/dbraw/zinc/39/58/75/168395875.db2.gz ZJQJJRAOBNZRIF-SSDOTTSWSA-N 0 0 185.654 2.133 10 0 AEAERN C[C@@H](O)COC1CCCCCC1 44236948 168396178 /nfs/dbraw/zinc/39/61/78/168396178.db2.gz UNBQCQKEIOHHGN-SECBINFHSA-N 0 0 172.268 2.107 10 0 AEAERN C[C@@H](O)C[C@@H](C)Oc1ccccc1 39090052 168396398 /nfs/dbraw/zinc/39/63/98/168396398.db2.gz QACLFMNGNFHTBM-NXEZZACHSA-N 0 0 180.247 2.225 10 0 AEAERN C[C@@H](O)C[C@@H](C)OCc1ccccc1 38996545 168396537 /nfs/dbraw/zinc/39/65/37/168396537.db2.gz ZDGYZKNTFSWSEU-GHMZBOCLSA-N 0 0 194.274 2.363 10 0 AEAERN C[C@@H](O)Cn1ccc2c(F)cccc21 34480406 168396809 /nfs/dbraw/zinc/39/68/09/168396809.db2.gz CBVOJGGWTDKQSG-MRVPVSSYSA-N 0 0 193.221 2.161 10 0 AEAERN C[C@@H](O)C[C@@H]1C=CCCC1 38915891 168396895 /nfs/dbraw/zinc/39/68/95/168396895.db2.gz SUDLOAYPERZYIK-RKDXNWHRSA-N 0 0 140.226 2.114 10 0 AEAERN C[C@@H](O)Cn1ccc2ccc(F)cc21 38950715 168397446 /nfs/dbraw/zinc/39/74/46/168397446.db2.gz PBEOBJMKUOASMA-MRVPVSSYSA-N 0 0 193.221 2.161 10 0 AEAERN C[C@@H](O)Cn1ccc2cc(F)ccc21 39075016 168397589 /nfs/dbraw/zinc/39/75/89/168397589.db2.gz LPLAKSONRCVWSV-MRVPVSSYSA-N 0 0 193.221 2.161 10 0 AEAERN C[C@@H](O)Cn1ccc2ccccc21 39439158 168397734 /nfs/dbraw/zinc/39/77/34/168397734.db2.gz ZGUHNVXKXXQIHQ-SECBINFHSA-N 0 0 175.231 2.022 10 0 AEAERN C[C@@H](O)Sc1cccc(F)c1 95935346 168397759 /nfs/dbraw/zinc/39/77/59/168397759.db2.gz UKFUQOVIAJXIFK-LURJTMIESA-N 0 0 172.224 2.256 10 0 AEAERN C[C@@H](O)[C@@H](C)OCC1CCCCC1 52156415 168397814 /nfs/dbraw/zinc/39/78/14/168397814.db2.gz PBYKDCKINUHDMZ-NXEZZACHSA-N 0 0 186.295 2.353 10 0 AEAERN C[C@@H](O)Sc1ccc(F)cc1 95932749 168397932 /nfs/dbraw/zinc/39/79/32/168397932.db2.gz QERIOFKVSOSPQQ-LURJTMIESA-N 0 0 172.224 2.256 10 0 AEAERN C[C@@H](O)C[C@H]1C=CCCC1 38915889 168398099 /nfs/dbraw/zinc/39/80/99/168398099.db2.gz SUDLOAYPERZYIK-BDAKNGLRSA-N 0 0 140.226 2.114 10 0 AEAERN C[C@@H](O)[C@@H]1CCCC[C@H]1C 38613249 168398200 /nfs/dbraw/zinc/39/82/00/168398200.db2.gz HKOKDMODHRUISP-IWSPIJDZSA-N 0 0 142.242 2.194 10 0 AEAERN C[C@@H](O)[C@H](C)CCOc1ccccc1 43658738 168398495 /nfs/dbraw/zinc/39/84/95/168398495.db2.gz KARCRJAHSARYMQ-GHMZBOCLSA-N 0 0 194.274 2.472 10 0 AEAERN C[C@@H](O)c1cc(F)cc2cnccc12 82778273 168398725 /nfs/dbraw/zinc/39/87/25/168398725.db2.gz CFDOGXDYIWTOFA-SSDOTTSWSA-N 0 0 191.205 2.427 10 0 AEAERN C[C@@H](O)[C@H](C)Cc1ccsc1 43658694 168399009 /nfs/dbraw/zinc/39/90/09/168399009.db2.gz IMJHBSOVWUEJPY-HTQZYQBOSA-N 0 0 170.277 2.308 10 0 AEAERN C[C@@H](O)c1c(F)c(F)cc(F)c1F 75852769 168399032 /nfs/dbraw/zinc/39/90/32/168399032.db2.gz KSGLXMCBJYLAFD-GSVOUGTGSA-N 0 0 194.127 2.296 10 0 AEAERN C[C@@H](O)c1cc(F)cc2ncoc12 41652844 168399150 /nfs/dbraw/zinc/39/91/50/168399150.db2.gz AGLGFKWGTGXWAS-RXMQYKEDSA-N 0 0 181.166 2.020 10 0 AEAERN C[C@@H](O)[C@@H]1[C@@H]2CC[C@@H](C2)C1(C)C 6036951 168399220 /nfs/dbraw/zinc/39/92/20/168399220.db2.gz DLLWYTGUPJUVGW-DOLQZWNJSA-N 0 0 168.280 2.440 10 0 AEAERN C[C@@H](O)c1cc(F)c2ocnc2c1 41652609 168399305 /nfs/dbraw/zinc/39/93/05/168399305.db2.gz CYSMDXPFQXSXNV-RXMQYKEDSA-N 0 0 181.166 2.020 10 0 AEAERN C[C@@H](O)[C@H]1CCCC[C@H]1C 44708663 168399484 /nfs/dbraw/zinc/39/94/84/168399484.db2.gz HKOKDMODHRUISP-HLTSFMKQSA-N 0 0 142.242 2.194 10 0 AEAERN C[C@@H](O)[C@H](C)Cc1cccc(F)c1 43658679 168399777 /nfs/dbraw/zinc/39/97/77/168399777.db2.gz TYOQGOBFIGHJBD-RKDXNWHRSA-N 0 0 182.238 2.385 10 0 AEAERN C[C@@H](O)c1c(F)ccc(F)c1F 75852757 168399865 /nfs/dbraw/zinc/39/98/65/168399865.db2.gz HRDINRGAZWEUHD-SCSAIBSYSA-N 0 0 176.137 2.157 10 0 AEAERN C[C@@H](O)c1cc(F)c2ncccc2c1 82778676 168399959 /nfs/dbraw/zinc/39/99/59/168399959.db2.gz HWNBUJHXMGMJDW-SSDOTTSWSA-N 0 0 191.205 2.427 10 0 AEAERN C[C@@H](O)c1cc(F)cc2cccnc12 82778680 168399965 /nfs/dbraw/zinc/39/99/65/168399965.db2.gz NGQRMQOTUIZPRR-SSDOTTSWSA-N 0 0 191.205 2.427 10 0 AEAERN C[C@@H](O)c1ccccc1N1CCCC1 35650410 168401063 /nfs/dbraw/zinc/40/10/63/168401063.db2.gz AEZJRQBMPLDLMX-SNVBAGLBSA-N 0 0 191.274 2.340 10 0 AEAERN C[C@@H](O)c1cn(C)c2ccccc12 77265817 168401257 /nfs/dbraw/zinc/40/12/57/168401257.db2.gz LBTJFZTYFHFNBZ-MRVPVSSYSA-N 0 0 175.231 2.232 10 0 AEAERN C[C@@H](O)c1nccc2cccc(F)c12 82778351 168401265 /nfs/dbraw/zinc/40/12/65/168401265.db2.gz XZMHGLQXWYFUFR-SSDOTTSWSA-N 0 0 191.205 2.427 10 0 AEAERN C[C@@H](O)c1ccccc1N(C)C1CC1 35650530 168401587 /nfs/dbraw/zinc/40/15/87/168401587.db2.gz UVBLMPMRFONOEB-SECBINFHSA-N 0 0 191.274 2.339 10 0 AEAERN C[C@@H](O)c1nc2c(s1)CCCCC2 45205955 168401597 /nfs/dbraw/zinc/40/15/97/168401597.db2.gz WCTSTDSLYBYQHW-SSDOTTSWSA-N 0 0 197.303 2.465 10 0 AEAERN C[C@@H](O)c1cccc2ncsc12 45236566 168401694 /nfs/dbraw/zinc/40/16/94/168401694.db2.gz BDTPXCHYCQRKOH-ZCFIWIBFSA-N 0 0 179.244 2.350 10 0 AEAERN C[C@@H](SCCO)c1ccc(N)cc1 40909345 168403279 /nfs/dbraw/zinc/40/32/79/168403279.db2.gz BNUYMZZIUINWBV-MRVPVSSYSA-N 0 0 197.303 2.055 10 0 AEAERN C[C@@H](c1ccccc1)N1CCCO1 307609464 168404653 /nfs/dbraw/zinc/40/46/53/168404653.db2.gz HORAVPDYEMSBPY-JTQLQIEISA-N 0 0 177.247 2.385 10 0 AEAERN C[C@@H](c1ccccc1)c1nccn1O 75842148 168405894 /nfs/dbraw/zinc/40/58/94/168405894.db2.gz MIZISKDCVOUTRF-VIFPVBQESA-N 0 0 188.230 2.272 10 0 AEAERN C[C@@H](c1noc(C2CC2)n1)C1CC1 306550563 168405981 /nfs/dbraw/zinc/40/59/81/168405981.db2.gz FHGWRBLKUJMQPL-ZCFIWIBFSA-N 0 0 178.235 2.461 10 0 AEAERN C[C@@H]1C(=O)C[C@H]2C[C@@H]1C2(C)C 5752287 168406750 /nfs/dbraw/zinc/40/67/50/168406750.db2.gz MQPHVIPKLRXGDJ-RNJXMRFFSA-N 0 0 152.237 2.258 10 0 endogenous,in-man AEAERN C[C@@H](c1nc(N(C)C)no1)C1CCC1 334912130 168407490 /nfs/dbraw/zinc/40/74/90/168407490.db2.gz KLHYDTGFNNKJQV-SSDOTTSWSA-N 0 0 195.266 2.039 10 0 AEAERN C[C@@H]1C=CC[C@H]1NC(=O)OC(C)(C)C 39091189 168408048 /nfs/dbraw/zinc/40/80/48/168408048.db2.gz ZSDGAFLNSMWADX-RKDXNWHRSA-N 0 0 197.278 2.476 10 0 AEAERN C[C@@H]1C=C(OC2CC2)C=N[C@@H]1F 95724476 168408770 /nfs/dbraw/zinc/40/87/70/168408770.db2.gz CBIDWLJUHGJIAE-MUWHJKNJSA-N 0 0 169.199 2.065 10 0 AEAERN C[C@@H]1C=CC=C2CCC[C@@]21O 39059204 168409040 /nfs/dbraw/zinc/40/90/40/168409040.db2.gz UVXWNFUSIFYYRF-SCZZXKLOSA-N 0 0 150.221 2.034 10 0 AEAERN C[C@@H]1C=C(OC2CC2)C=N[C@H]1F 95724478 168409132 /nfs/dbraw/zinc/40/91/32/168409132.db2.gz CBIDWLJUHGJIAE-HZGVNTEJSA-N 0 0 169.199 2.065 10 0 AEAERN C[C@@H]1C=Cc2ccc(O)cc2O1 1451699 168410379 /nfs/dbraw/zinc/41/03/79/168410379.db2.gz VJLAXYWKGRTZQV-SSDOTTSWSA-N 0 0 162.188 2.186 10 0 AEAERN C[C@@H]1CC(=O)[C@@H](c2ccccc2)O1 104844669 168410866 /nfs/dbraw/zinc/41/08/66/168410866.db2.gz NEAKIGBCMRITNO-LDYMZIIASA-N 0 0 176.215 2.106 10 0 AEAERN C[C@@H]1C=C[P@](C)(=O)C1 205508591 168411065 /nfs/dbraw/zinc/41/10/65/168411065.db2.gz FTKSXGDMJAKZSL-SVRRBLITSA-N 0 0 130.127 2.143 10 0 AEAERN C[C@@H]1CC(=O)c2ccccc2C1 5752218 168411730 /nfs/dbraw/zinc/41/17/30/168411730.db2.gz RKWDIVBLLDITMW-QMMMGPOBSA-N 0 0 160.216 2.452 10 0 AEAERN C[C@@H]1CC(=O)c2c(F)cccc2O1 75882212 168412023 /nfs/dbraw/zinc/41/20/23/168412023.db2.gz CWOOIHHFNREPQQ-ZCFIWIBFSA-N 0 0 180.178 2.179 10 0 AEAERN C[C@@H]1CC(C)(C)CN1C(=O)C1=CCC1 334882707 168412495 /nfs/dbraw/zinc/41/24/95/168412495.db2.gz RBFRHMPYBFGHFH-SECBINFHSA-N 0 0 193.290 2.354 10 0 AEAERN C[C@@H]1CCC2(C1)O[C@H](C)[C@@H](C)O2 238439808 168412958 /nfs/dbraw/zinc/41/29/58/168412958.db2.gz AMXAFJMINFJAQS-IWSPIJDZSA-N 0 0 170.252 2.327 10 0 AEAERN C[C@@H]1CCCC(C)(C)O1 6030805 168413094 /nfs/dbraw/zinc/41/30/94/168413094.db2.gz PNKOSUMBMGVBPO-SSDOTTSWSA-N 0 0 128.215 2.354 10 0 AEAERN C[C@@H]1CCCCCN1C(=O)C1=CCC1 336230579 168413099 /nfs/dbraw/zinc/41/30/99/168413099.db2.gz QFWHUNRHFWJRHA-SNVBAGLBSA-N 0 0 193.290 2.498 10 0 AEAERN C[C@@H]1CCCCC(=O)C1 32183925 168413219 /nfs/dbraw/zinc/41/32/19/168413219.db2.gz GSYFDULLCGVSNJ-SSDOTTSWSA-N 0 0 126.199 2.156 10 0 AEAERN C[C@@H]1CC=C[C@]12CCCC2=O 39111473 168413584 /nfs/dbraw/zinc/41/35/84/168413584.db2.gz YSFCVZXVVAKZMN-SCZZXKLOSA-N 0 0 150.221 2.322 10 0 AEAERN C[C@@H]1CC=CC[C@@H]1C(=O)N1CCCC1 33855150 168413661 /nfs/dbraw/zinc/41/36/61/168413661.db2.gz KDXXJGFMQTYNRB-MNOVXSKESA-N 0 0 193.290 2.211 10 0 AEAERN C[C@@H]1CCCCCN1C(=O)NC1CC1 123732101 168413957 /nfs/dbraw/zinc/41/39/57/168413957.db2.gz WVPCACPQEQKKBC-SECBINFHSA-N 0 0 196.294 2.123 10 0 AEAERN C[C@@H]1CCCCN1c1ncc(N)s1 72192564 168414588 /nfs/dbraw/zinc/41/45/88/168414588.db2.gz QCPPAJOOXNLZIE-SSDOTTSWSA-N 0 0 197.307 2.104 10 0 AEAERN C[C@@H]1CCCCN1C(=O)C1CC=CC1 335320487 168415745 /nfs/dbraw/zinc/41/57/45/168415745.db2.gz AKZSCXSJMYAYSD-SNVBAGLBSA-N 0 0 193.290 2.354 10 0 AEAERN C[C@@H]1CCCC[C@@H]1NC(=O)C1=CCC1 336336157 168416518 /nfs/dbraw/zinc/41/65/18/168416518.db2.gz BESWQHKXLCDUSH-KOLCDFICSA-N 0 0 193.290 2.402 10 0 AEAERN C[C@@H]1CCCC[C@@H]1Nc1cn[nH]c1 35764038 168417790 /nfs/dbraw/zinc/41/77/90/168417790.db2.gz NMOVZIBRMGVNJM-SCZZXKLOSA-N 0 0 179.267 2.400 10 0 AEAERN C[C@@H]1CCCN(c2nncs2)CC1 306653632 168419333 /nfs/dbraw/zinc/41/93/33/168419333.db2.gz HCHUJVYEOGTSAL-MRVPVSSYSA-N 0 0 197.307 2.165 10 0 AEAERN C[C@@H]1CCCN(C(=O)[C@H]2CC23CC3)C1 335569373 168420839 /nfs/dbraw/zinc/42/08/39/168420839.db2.gz WEDSPTXMEFJORJ-NXEZZACHSA-N 0 0 193.290 2.045 10 0 AEAERN C[C@@H]1CCCN1c1ccccc1C=O 37911244 168423674 /nfs/dbraw/zinc/42/36/74/168423674.db2.gz VMPSTCKRDGAQIK-SNVBAGLBSA-N 0 0 189.258 2.488 10 0 AEAERN C[C@@H]1CCC[C@@H](Nc2cn[nH]c2)C1 35764032 168423971 /nfs/dbraw/zinc/42/39/71/168423971.db2.gz LEMONTRFGCGUFZ-RKDXNWHRSA-N 0 0 179.267 2.400 10 0 AEAERN C[C@@H]1CCC[C@@H](c2ncc(N)cn2)C1 44979038 168424453 /nfs/dbraw/zinc/42/44/53/168424453.db2.gz HFHUIZHUHLTEAD-RKDXNWHRSA-N 0 0 191.278 2.353 10 0 AEAERN C[C@@H]1CCC[C@@H](c2nccc(=O)[nH]2)C1 44979194 168425464 /nfs/dbraw/zinc/42/54/64/168425464.db2.gz YYKHLRPVDZTIQY-RKDXNWHRSA-N 0 0 192.262 2.064 10 0 AEAERN C[C@@H]1CCC[C@@H]1C(=O)NC1CCC1 306328460 168425975 /nfs/dbraw/zinc/42/59/75/168425975.db2.gz NMNVXMXBJICOQT-SCZZXKLOSA-N 0 0 181.279 2.091 10 0 AEAERN C[C@@H]1CCC[C@@H]2CCC(=O)[C@@H]12 34592702 168426249 /nfs/dbraw/zinc/42/62/49/168426249.db2.gz NCVVCYYBUJLMQP-MRTMQBJTSA-N 0 0 152.237 2.402 10 0 AEAERN C[C@@H]1CCC[C@@](C)(O)CC1 39275053 168426406 /nfs/dbraw/zinc/42/64/06/168426406.db2.gz KARLNZMJUOJBJF-RKDXNWHRSA-N 0 0 142.242 2.338 10 0 AEAERN C[C@@H]1CCC[C@@]1(O)c1ccccc1N 75580229 168426959 /nfs/dbraw/zinc/42/69/59/168426959.db2.gz DHDLUTJCWGTSFH-SKDRFNHKSA-N 0 0 191.274 2.276 10 0 AEAERN C[C@@H]1CCC[C@@H]1CNC(=O)C1=CCC1 335881198 168427105 /nfs/dbraw/zinc/42/71/05/168427105.db2.gz BIABHBVCNNXIAT-MWLCHTKSSA-N 0 0 193.290 2.259 10 0 AEAERN C[C@@H]1CCC[C@H](c2ncc(N)cn2)C1 44979032 168427896 /nfs/dbraw/zinc/42/78/96/168427896.db2.gz HFHUIZHUHLTEAD-BDAKNGLRSA-N 0 0 191.278 2.353 10 0 AEAERN C[C@@H]1CCC[C@H](Nc2cn[nH]c2)C1 35764030 168428009 /nfs/dbraw/zinc/42/80/09/168428009.db2.gz LEMONTRFGCGUFZ-BDAKNGLRSA-N 0 0 179.267 2.400 10 0 AEAERN C[C@@H]1CCC[C@H]1C(=O)N1CCCCC1 230147357 168428336 /nfs/dbraw/zinc/42/83/36/168428336.db2.gz ZGVKATGJYHBIJY-GHMZBOCLSA-N 0 0 195.306 2.435 10 0 AEAERN C[C@@H]1CCC[C@](C)(O)CC1 39275055 168428407 /nfs/dbraw/zinc/42/84/07/168428407.db2.gz 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/nfs/dbraw/zinc/43/52/33/168435233.db2.gz NLYXJMCTWHFOLB-MRVPVSSYSA-N 0 0 194.253 2.254 10 0 AEAERN C[C@@H]1CCN(c2ccccc2CO)C1 40718770 168435841 /nfs/dbraw/zinc/43/58/41/168435841.db2.gz PHIJQNVFQQVLIV-SNVBAGLBSA-N 0 0 191.274 2.025 10 0 AEAERN C[C@@H]1CC[C@@H](C)N(C(=O)C2(C)CC2)C1 335855620 168437515 /nfs/dbraw/zinc/43/75/15/168437515.db2.gz HBIXEADZCBHVLJ-NXEZZACHSA-N 0 0 195.306 2.434 10 0 AEAERN C[C@@H]1CC[C@@H]1NC(=O)CC1CCC1 307258855 168438477 /nfs/dbraw/zinc/43/84/77/168438477.db2.gz CAQIMOLSSODLSS-SCZZXKLOSA-N 0 0 181.279 2.091 10 0 AEAERN C[C@@H]1CC[C@@H]1NC(=O)c1ccsc1 306490466 168439064 /nfs/dbraw/zinc/43/90/64/168439064.db2.gz VENZZNGTESKRQU-APPZFPTMSA-N 0 0 195.287 2.276 10 0 AEAERN C[C@@H]1CC[C@@H]1NC(=O)C1(C)CCC1 306624118 168439326 /nfs/dbraw/zinc/43/93/26/168439326.db2.gz FNXJUSMMBMCTLS-BDAKNGLRSA-N 0 0 181.279 2.091 10 0 AEAERN C[C@@H]1CC[C@@H]1NC(=O)C1CCCC1 307213288 168439367 /nfs/dbraw/zinc/43/93/67/168439367.db2.gz XLRDQOHGSYQXQK-SCZZXKLOSA-N 0 0 181.279 2.091 10 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C[C@@H]1Cc2ccccc2[C@@H](O)C1 32157843 168481180 /nfs/dbraw/zinc/48/11/80/168481180.db2.gz QWNQGLDZMQCYLU-KCJUWKMLSA-N 0 0 162.232 2.302 10 0 AEAERN C[C@@H]1Cc2cccc(O)c2C1 5735999 168481389 /nfs/dbraw/zinc/48/13/89/168481389.db2.gz AJZJWTXGQXUPNB-SSDOTTSWSA-N 0 0 148.205 2.127 10 0 AEAERN C[C@@H]1N=N[C@H]2[C@H]1[C@H]1CCC[C@H]12 256414122 168482653 /nfs/dbraw/zinc/48/26/53/168482653.db2.gz FCFNLRNWHARCAJ-OFPUPOEVSA-N 0 0 150.225 2.255 10 0 AEAERN C[C@@H]1NN=C(c2ccccc2)S1 39284330 168484659 /nfs/dbraw/zinc/48/46/59/168484659.db2.gz UEOZBLVXALPEJZ-SSDOTTSWSA-N 0 0 178.260 2.031 10 0 AEAERN C[C@@H]1Nc2ccc(O)cc2C1(C)C 34173477 168486515 /nfs/dbraw/zinc/48/65/15/168486515.db2.gz LDRNHTUUTQARDP-ZETCQYMHSA-N 0 0 177.247 2.484 10 0 AEAERN C[C@@](O)(CNc1ccccc1)C1CC1 55032001 168498636 /nfs/dbraw/zinc/49/86/36/168498636.db2.gz HJEAQFVWEMDTQZ-GFCCVEGCSA-N 0 0 191.274 2.260 10 0 AEAERN C[C@@]1(F)CCCN(CC(F)(F)F)C1 336268741 168501015 /nfs/dbraw/zinc/50/10/15/168501015.db2.gz JBPUIZLJDJKOMJ-SSDOTTSWSA-N 0 0 199.191 2.373 10 0 AEAERN C[C@@]1(F)CCCN(C(=O)C2=CCC2)C1 336283207 168501331 /nfs/dbraw/zinc/50/13/31/168501331.db2.gz ODXHKMQKWOKMLG-LLVKDONJSA-N 0 0 197.253 2.057 10 0 AEAERN C[C@@]1(O)CCO[C@@H](c2ccccc2)C1 33605218 168503240 /nfs/dbraw/zinc/50/32/40/168503240.db2.gz UUQVBQLAIFOJHO-VXGBXAGGSA-N 0 0 192.258 2.289 10 0 AEAERN C[C@@]12C=C[C@@H](CC1)C2 60010408 168504866 /nfs/dbraw/zinc/50/48/66/168504866.db2.gz RMDKEBZUCHXUER-JGVFFNPUSA-N 0 0 108.184 2.363 10 0 AEAERN C[C@@]12CCCC(=O)[C@H]1CC2 104377346 168504911 /nfs/dbraw/zinc/50/49/11/168504911.db2.gz FWTMYKRBOCLDKB-APPZFPTMSA-N 0 0 138.210 2.156 10 0 AEAERN C[C@@]12C[C@H]3C(=O)[C@]1(C)CC[C@H]32 1448357 168505742 /nfs/dbraw/zinc/50/57/42/168505742.db2.gz GKZKZITYBMINAL-XFFJFQIUSA-N 0 0 150.221 2.012 10 0 AEAERN C[C@@]12CC[C@@H](O1)c1cccc(N)c12 39111397 168506550 /nfs/dbraw/zinc/50/65/50/168506550.db2.gz GXOOBPBAULMOPT-KOLCDFICSA-N 0 0 175.231 2.349 10 0 AEAERN C[C@H](C(=O)N1CC[C@H]1C1CC1)C1CC1 334891926 168512479 /nfs/dbraw/zinc/51/24/79/168512479.db2.gz KCAIFIHPEHSNTG-KWQFWETISA-N 0 0 193.290 2.043 10 0 AEAERN C[C@H](C(=O)N[C@@H]1CC1(C)C)C1CCC1 336286411 168512621 /nfs/dbraw/zinc/51/26/21/168512621.db2.gz LQEQCHAGVZYSJU-WCBMZHEXSA-N 0 0 195.306 2.337 10 0 AEAERN C[C@H](C(=O)N1CC[C@@H]1C1CC1)C1CC1 334891924 168513775 /nfs/dbraw/zinc/51/37/75/168513775.db2.gz KCAIFIHPEHSNTG-GZMMTYOYSA-N 0 0 193.290 2.043 10 0 AEAERN C[C@H](C(N)=S)c1ccccc1 57903066 168516697 /nfs/dbraw/zinc/51/66/97/168516697.db2.gz REDHWACTNWGCMU-ZETCQYMHSA-N 0 0 165.261 2.076 10 0 AEAERN C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC12CC2 335563655 168518747 /nfs/dbraw/zinc/51/87/47/168518747.db2.gz VBTFLELHBICMBA-SCZZXKLOSA-N 0 0 193.290 2.043 10 0 AEAERN C[C@H](C1CC1)N(C)c1ccc(C=O)o1 50544160 168519610 /nfs/dbraw/zinc/51/96/10/168519610.db2.gz BPYGFYABLOQWSJ-MRVPVSSYSA-N 0 0 193.246 2.327 10 0 AEAERN C[C@H](CC(=O)[O-])[NH+]1CCCCCCC1 35752143 168521352 /nfs/dbraw/zinc/52/13/52/168521352.db2.gz QAJODPYXHZVELN-SNVBAGLBSA-N 0 0 199.294 2.116 10 0 AEAERN C[C@H](CC(N)=O)c1ccc(Cl)cc1 34111729 168522460 /nfs/dbraw/zinc/52/24/60/168522460.db2.gz OUNZFQWGKPVBIJ-SSDOTTSWSA-N 0 0 197.665 2.319 10 0 AEAERN C[C@H](CC(C)(C)C)C(=O)N1CCC1 335585588 168523320 /nfs/dbraw/zinc/52/33/20/168523320.db2.gz NTMZNIMEKCPDBK-SECBINFHSA-N 0 0 183.295 2.291 10 0 AEAERN C[C@H](CCO)c1cc(F)cc(F)c1 41203413 168525503 /nfs/dbraw/zinc/52/55/03/168525503.db2.gz ZYTKTQGMRCOJFW-SSDOTTSWSA-N 0 0 186.201 2.451 10 0 AEAERN C[C@H](CCO)c1ccccc1F 41168179 168526274 /nfs/dbraw/zinc/52/62/74/168526274.db2.gz YUVPQVJXAMZKNM-MRVPVSSYSA-N 0 0 168.211 2.312 10 0 AEAERN C[C@H](COC(N)=O)CC(C)(C)C 84730529 168537052 /nfs/dbraw/zinc/53/70/52/168537052.db2.gz CFLVCUVLGDLLDF-ZETCQYMHSA-N 0 0 173.256 2.154 10 0 AEAERN C[C@H](N(C)C(=O)C1=CCC1)C1(C)CC1 334469749 168541611 /nfs/dbraw/zinc/54/16/11/168541611.db2.gz HLCWAAWGLKMZGF-VIFPVBQESA-N 0 0 193.290 2.354 10 0 AEAERN C[C@H]([NH3+])CCCCCCCC(=O)[O-] 33822358 168546303 /nfs/dbraw/zinc/54/63/03/168546303.db2.gz FWPKWVUFQDXPBW-VIFPVBQESA-N 0 0 187.283 2.149 10 0 AEAERN C[C@H]([NH3+])c1cc(C(=O)[O-])ccc1Cl 75845069 168555868 /nfs/dbraw/zinc/55/58/68/168555868.db2.gz IAVYNXIEJFNFAR-YFKPBYRVSA-N 0 0 199.637 2.058 10 0 AEAERN C[C@H](NC(=O)C1=CCC1)C1CCCC1 334889840 168562013 /nfs/dbraw/zinc/56/20/13/168562013.db2.gz DRLPWBVYHFWVLJ-VIFPVBQESA-N 0 0 193.290 2.402 10 0 AEAERN C[C@H](NC(=O)C1=CCCC1)C1CC1 306551900 168562466 /nfs/dbraw/zinc/56/24/66/168562466.db2.gz HVOHQQLTRKOGRP-QMMMGPOBSA-N 0 0 179.263 2.011 10 0 AEAERN C[C@H](NC(N)=O)c1ccc(Cl)cc1 42227898 168563433 /nfs/dbraw/zinc/56/34/33/168563433.db2.gz WQFVOCGVEXYWQR-LURJTMIESA-N 0 0 198.653 2.069 10 0 AEAERN C[C@H](NN)c1ccc(F)c(Cl)c1 20078526 168569133 /nfs/dbraw/zinc/56/91/33/168569133.db2.gz DTTZENZOVGRQHA-YFKPBYRVSA-N 0 0 188.633 2.003 10 0 AEAERN C[C@H](NO)c1c[nH]c2ccc(F)cc12 71331472 168570227 /nfs/dbraw/zinc/57/02/27/168570227.db2.gz PSHHGWZJQKGRQH-LURJTMIESA-N 0 0 194.209 2.347 10 0 AEAERN C[C@H](Nc1cccnc1)C1CC1 19884307 168571124 /nfs/dbraw/zinc/57/11/24/168571124.db2.gz KNHUDEKRNJNVHR-QMMMGPOBSA-N 0 0 162.236 2.292 10 0 AEAERN C[C@H](Nc1ccn(C)n1)C1CCCC1 54080408 168572409 /nfs/dbraw/zinc/57/24/09/168572409.db2.gz VFTSAOFUOWKWLP-VIFPVBQESA-N 0 0 193.294 2.411 10 0 AEAERN C[C@H](Nc1cccnn1)c1ccco1 52816054 168572605 /nfs/dbraw/zinc/57/26/05/168572605.db2.gz ZNGZZOYSHZOAKP-QMMMGPOBSA-N 0 0 189.218 2.243 10 0 AEAERN C[C@H](Nc1ccncn1)c1ccco1 40863122 168572985 /nfs/dbraw/zinc/57/29/85/168572985.db2.gz SGBXLGYJELNLHJ-QMMMGPOBSA-N 0 0 189.218 2.243 10 0 AEAERN C[C@H](Nc1cnccn1)c1ccco1 35135125 168573039 /nfs/dbraw/zinc/57/30/39/168573039.db2.gz AFCBPYCWCYYDCC-QMMMGPOBSA-N 0 0 189.218 2.243 10 0 AEAERN C[C@H](O)CCCc1ccc(O)cc1 36448258 168573808 /nfs/dbraw/zinc/57/38/08/168573808.db2.gz VMGOSGYCIMMIQH-VIFPVBQESA-N 0 0 180.247 2.096 10 0 AEAERN C[C@H](O)CCCCOC1CCCC1 45621331 168574346 /nfs/dbraw/zinc/57/43/46/168574346.db2.gz ISCDWEHWJPZNEK-JTQLQIEISA-N 0 0 186.295 2.497 10 0 AEAERN C[C@H](O)C(C)(C)c1ccccc1 39402432 168574542 /nfs/dbraw/zinc/57/45/42/168574542.db2.gz HGAVQGLFENEAOM-VIFPVBQESA-N 0 0 164.248 2.345 10 0 AEAERN C[C@H](O)CCCOC1CCCC1 45621336 168574723 /nfs/dbraw/zinc/57/47/23/168574723.db2.gz ZMTWOTVTYDLAQX-VIFPVBQESA-N 0 0 172.268 2.107 10 0 AEAERN C[C@H](O)CCOC1CCCCC1 44191097 168575746 /nfs/dbraw/zinc/57/57/46/168575746.db2.gz WDLXEEJHHXZLLZ-VIFPVBQESA-N 0 0 172.268 2.107 10 0 AEAERN C[C@H](O)CCc1cccs1 43656716 168576179 /nfs/dbraw/zinc/57/61/79/168576179.db2.gz ZMTQZWKVBHHYTN-ZETCQYMHSA-N 0 0 156.250 2.062 10 0 AEAERN C[C@H](O)CNc1cccc(Cl)c1 32007884 168581606 /nfs/dbraw/zinc/58/16/06/168581606.db2.gz IKEBQDAAZBVUBX-ZETCQYMHSA-N 0 0 185.654 2.133 10 0 AEAERN C[C@H](O)[C@@H]1CCCC[C@@H]1C 142433944 168582897 /nfs/dbraw/zinc/58/28/97/168582897.db2.gz HKOKDMODHRUISP-XHNCKOQMSA-N 0 0 142.242 2.194 10 0 AEAERN C[C@H](O)Cn1ccc2ccc(F)cc21 38950714 168582958 /nfs/dbraw/zinc/58/29/58/168582958.db2.gz PBEOBJMKUOASMA-QMMMGPOBSA-N 0 0 193.221 2.161 10 0 AEAERN C[C@H](O)[C@@H](C)CCOc1ccccc1 43658739 168583380 /nfs/dbraw/zinc/58/33/80/168583380.db2.gz KARCRJAHSARYMQ-QWRGUYRKSA-N 0 0 194.274 2.472 10 0 AEAERN C[C@H](O)Cn1ccc2ccccc21 39439156 168583590 /nfs/dbraw/zinc/58/35/90/168583590.db2.gz ZGUHNVXKXXQIHQ-VIFPVBQESA-N 0 0 175.231 2.022 10 0 AEAERN C[C@H](O)Sc1ccc(F)cc1 95932750 168583735 /nfs/dbraw/zinc/58/37/35/168583735.db2.gz QERIOFKVSOSPQQ-ZCFIWIBFSA-N 0 0 172.224 2.256 10 0 AEAERN C[C@H](O)c1ccc2c(c1)NCCC2 71451765 168585793 /nfs/dbraw/zinc/58/57/93/168585793.db2.gz PTUCDVKINXVHHS-QMMMGPOBSA-N 0 0 177.247 2.098 10 0 AEAERN C[C@H](O)c1ccccc1N(C)C1CC1 35650529 168586579 /nfs/dbraw/zinc/58/65/79/168586579.db2.gz UVBLMPMRFONOEB-VIFPVBQESA-N 0 0 191.274 2.339 10 0 AEAERN C[C@H](O)c1ccc2ncsc2c1 45236568 168587256 /nfs/dbraw/zinc/58/72/56/168587256.db2.gz QEVVUCWMTIDBGI-LURJTMIESA-N 0 0 179.244 2.350 10 0 AEAERN C[C@H](O[C@@H]1CCC[C@@H](C)C1)[C@@H](C)O 44230459 168587488 /nfs/dbraw/zinc/58/74/88/168587488.db2.gz KXERYPHNVLTZGX-CHWFTXMASA-N 0 0 186.295 2.351 10 0 AEAERN C[C@H](O[C@H]1CCC[C@@H](C)C1)[C@@H](C)O 44230451 168587930 /nfs/dbraw/zinc/58/79/30/168587930.db2.gz KXERYPHNVLTZGX-ZNSHCXBVSA-N 0 0 186.295 2.351 10 0 AEAERN C[C@H](SC1CCC1)c1nncn1C 336271661 168589352 /nfs/dbraw/zinc/58/93/52/168589352.db2.gz IDZZTHVACRTNKX-ZETCQYMHSA-N 0 0 197.307 2.162 10 0 AEAERN C[C@H]([C@H]1CCCO1)n1cccc1 35736536 168589463 /nfs/dbraw/zinc/58/94/63/168589463.db2.gz MGFRNHBFXUFMNJ-NXEZZACHSA-N 0 0 165.236 2.228 10 0 AEAERN C[C@H](c1cc(N)no1)C(C)(C)C 39113282 168590035 /nfs/dbraw/zinc/59/00/35/168590035.db2.gz DYCQWTPMIHWXKN-ZCFIWIBFSA-N 0 0 168.240 2.406 10 0 AEAERN C[C@H](c1ccccc1)N1CCCO1 307609465 168590215 /nfs/dbraw/zinc/59/02/15/168590215.db2.gz HORAVPDYEMSBPY-SNVBAGLBSA-N 0 0 177.247 2.385 10 0 AEAERN C[C@H](c1ccccn1)n1cccc1 35695646 168590498 /nfs/dbraw/zinc/59/04/98/168590498.db2.gz PUKGBHCHJSZRJP-SNVBAGLBSA-N 0 0 172.231 2.492 10 0 AEAERN C[C@H]1C2CCC(CO)(CC2)[C@H]1C 1041057 168592422 /nfs/dbraw/zinc/59/24/22/168592422.db2.gz SUTZCKXJNGAYJD-MFQSTILNSA-N 0 0 168.280 2.441 10 0 AEAERN C[C@H]1C(=O)Nc2c(Cl)cccc21 82588030 168592701 /nfs/dbraw/zinc/59/27/01/168592701.db2.gz YNDPZZOSRIXEHA-RXMQYKEDSA-N 0 0 181.622 2.396 10 0 AEAERN C[C@H]1C=C(OC2CC2)C=N[C@@H]1F 95724477 168592777 /nfs/dbraw/zinc/59/27/77/168592777.db2.gz CBIDWLJUHGJIAE-RCOVLWMOSA-N 0 0 169.199 2.065 10 0 AEAERN C[C@H]1C=C(OC2CC2)C=N[C@H]1F 95724479 168593457 /nfs/dbraw/zinc/59/34/57/168593457.db2.gz CBIDWLJUHGJIAE-IMTBSYHQSA-N 0 0 169.199 2.065 10 0 AEAERN C[C@H]1CC(=O)[C@@H](c2ccccc2)O1 104844672 168594872 /nfs/dbraw/zinc/59/48/72/168594872.db2.gz NEAKIGBCMRITNO-GZMMTYOYSA-N 0 0 176.215 2.106 10 0 AEAERN C[C@H]1CC(=O)N[C@H](c2ccccc2)C1 2577476 168594876 /nfs/dbraw/zinc/59/48/76/168594876.db2.gz QBISFPIBDMWLTN-KOLCDFICSA-N 0 0 189.258 2.274 10 0 AEAERN C[C@H]1C=C[C@@]2(O)CCCC2=C1 39059205 168594904 /nfs/dbraw/zinc/59/49/04/168594904.db2.gz VWGGOYNFPFLXQE-WPRPVWTQSA-N 0 0 150.221 2.034 10 0 AEAERN C[C@H]1C=Cc2ccccc2[C@@H]1O 39060393 168595008 /nfs/dbraw/zinc/59/50/08/168595008.db2.gz PVRGMTGDVJIXGL-GZMMTYOYSA-N 0 0 160.216 2.383 10 0 AEAERN C[C@H]1CC(=O)[C@@H]2C[C@H]1C2(C)C 43763101 168595227 /nfs/dbraw/zinc/59/52/27/168595227.db2.gz QKGNSWNKNMFYRE-RNJXMRFFSA-N 0 0 152.237 2.258 10 0 AEAERN C[C@H]1CC(=O)c2ccccc2C1 5736001 168595256 /nfs/dbraw/zinc/59/52/56/168595256.db2.gz RKWDIVBLLDITMW-MRVPVSSYSA-N 0 0 160.216 2.452 10 0 AEAERN C[C@H]1CC(=O)c2cc(F)ccc2N1 71481886 168595373 /nfs/dbraw/zinc/59/53/73/168595373.db2.gz VELMRVHTRSHGLT-LURJTMIESA-N 0 0 179.194 2.213 10 0 AEAERN C[C@H]1CC(C)(C)CN1c1nncs1 334649123 168595809 /nfs/dbraw/zinc/59/58/09/168595809.db2.gz WXTUXSQUGBAKBS-ZETCQYMHSA-N 0 0 197.307 2.163 10 0 AEAERN C[C@H]1CC(C)(C)CN1C(=O)C1=CCC1 334882708 168595824 /nfs/dbraw/zinc/59/58/24/168595824.db2.gz RBFRHMPYBFGHFH-VIFPVBQESA-N 0 0 193.290 2.354 10 0 AEAERN C[C@H]1CCC2(CC[C@H](C)O2)O1 36437743 168596490 /nfs/dbraw/zinc/59/64/90/168596490.db2.gz PUKTVFNQVGOXPI-JVIMKECRSA-N 0 0 156.225 2.081 10 0 AEAERN C[C@H]1CCCC(C)(C)O1 6037486 168597198 /nfs/dbraw/zinc/59/71/98/168597198.db2.gz PNKOSUMBMGVBPO-ZETCQYMHSA-N 0 0 128.215 2.354 10 0 AEAERN C[C@H]1CC=C[C@]12CCCC2=O 39111474 168598025 /nfs/dbraw/zinc/59/80/25/168598025.db2.gz YSFCVZXVVAKZMN-WPRPVWTQSA-N 0 0 150.221 2.322 10 0 AEAERN C[C@H]1CCCC(C)(C)[C@H]1CO 6037502 168598060 /nfs/dbraw/zinc/59/80/60/168598060.db2.gz WIYBEAHUAVVOHR-IUCAKERBSA-N 0 0 156.269 2.441 10 0 AEAERN C[C@H]1CCCCN(C(=O)C2=CCC2)C1 335847633 168599489 /nfs/dbraw/zinc/59/94/89/168599489.db2.gz DVFRGZMUXPDVFK-JTQLQIEISA-N 0 0 193.290 2.355 10 0 AEAERN C[C@H]1CCCC[C@@H]1Nc1cn[nH]c1 35764039 168600551 /nfs/dbraw/zinc/60/05/51/168600551.db2.gz NMOVZIBRMGVNJM-WPRPVWTQSA-N 0 0 179.267 2.400 10 0 AEAERN C[C@H]1CCCC[C@@H]1[C@@H](C)O 44708665 168602100 /nfs/dbraw/zinc/60/21/00/168602100.db2.gz HKOKDMODHRUISP-YIZRAAEISA-N 0 0 142.242 2.194 10 0 AEAERN C[C@H]1CCCC[C@H]1Nc1ccncn1 40862992 168602890 /nfs/dbraw/zinc/60/28/90/168602890.db2.gz UBAQKXLZPBUOTJ-VHSXEESVSA-N 0 0 191.278 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168685779 /nfs/dbraw/zinc/68/57/79/168685779.db2.gz ODXHKMQKWOKMLG-NSHDSACASA-N 0 0 197.253 2.057 10 0 AEAERN C[C@]1(Cl)C(=O)O[C@H]2CCCC[C@@H]21 38652001 168685880 /nfs/dbraw/zinc/68/58/80/168685880.db2.gz CBIKLWCRTLLKFI-ACLDMZEESA-N 0 0 188.654 2.100 10 0 AEAERN C[C@]1(Cl)C(=O)O[C@@H]2CCCC[C@H]21 255966279 168686085 /nfs/dbraw/zinc/68/60/85/168686085.db2.gz CBIKLWCRTLLKFI-ZXFLCMHBSA-N 0 0 188.654 2.100 10 0 AEAERN C[C@]1(F)CCCN(CC(F)(F)F)C1 336268742 168686781 /nfs/dbraw/zinc/68/67/81/168686781.db2.gz JBPUIZLJDJKOMJ-ZETCQYMHSA-N 0 0 199.191 2.373 10 0 AEAERN C[C@]1(O)CCO[C@H](c2ccccc2)C1 33605221 168687801 /nfs/dbraw/zinc/68/78/01/168687801.db2.gz UUQVBQLAIFOJHO-RYUDHWBXSA-N 0 0 192.258 2.289 10 0 AEAERN C[C@]1(O)CCC[C@]2(C)CCC(=O)C[C@@H]12 5037447 168688821 /nfs/dbraw/zinc/68/88/21/168688821.db2.gz MXEVPBYXRSDNCO-UTUOFQBUSA-N 0 0 196.290 2.297 10 0 AEAERN C[C@]12CCC[C@@]1(Cl)C(=O)C2 39125431 168690583 /nfs/dbraw/zinc/69/05/83/168690583.db2.gz LTRPJCIWHCVHHF-HTQZYQBOSA-N 0 0 158.628 2.127 10 0 AEAERN C[C@]12CCCC(=O)[C@@H]1CC2 104377342 168691393 /nfs/dbraw/zinc/69/13/93/168691393.db2.gz FWTMYKRBOCLDKB-IONNQARKSA-N 0 0 138.210 2.156 10 0 AEAERN C[C@]12CC[C@H](O1)c1cccc(N)c12 39111398 168692246 /nfs/dbraw/zinc/69/22/46/168692246.db2.gz GXOOBPBAULMOPT-GXSJLCMTSA-N 0 0 175.231 2.349 10 0 AEAERN C[S@](=O)c1cc(Cl)ccc1F 307458833 168694361 /nfs/dbraw/zinc/69/43/61/168694361.db2.gz DHRFLMOIKGNHEK-NSHDSACASA-N 0 0 192.642 2.217 10 0 AEAERN C[Si](C)(C)c1nc2ccccc2[nH]1 197263352 168695499 /nfs/dbraw/zinc/69/54/99/168695499.db2.gz BWHRIYCPTCQUTM-UHFFFAOYSA-N 0 0 190.322 2.108 10 0 AEAERN C[Si](C)(C)n1cccc1 195767128 168695572 /nfs/dbraw/zinc/69/55/72/168695572.db2.gz WNHFEQWRHXLCMK-UHFFFAOYSA-N 0 0 139.274 2.171 10 0 AEAERN Cc1[nH]c(=O)ccc1-c1ccccc1 34071646 168697553 /nfs/dbraw/zinc/69/75/53/168697553.db2.gz ZYZOVTCJHAAEMZ-UHFFFAOYSA-N 0 0 185.226 2.350 10 0 AEAERN Cc1[nH]c2ccccc2c1[C@@H](C)NN 82530254 168698115 /nfs/dbraw/zinc/69/81/15/168698115.db2.gz ORDLTMZPXSDNJU-MRVPVSSYSA-N 0 0 189.262 2.001 10 0 AEAERN Cc1[nH]c2cccc(C)c2c1N 82850198 168698246 /nfs/dbraw/zinc/69/82/46/168698246.db2.gz OZUNSYHDIGPJJL-UHFFFAOYSA-N 0 0 160.220 2.367 10 0 AEAERN Cc1[nH]c2c(F)cccc2c1C=O 82398460 168699228 /nfs/dbraw/zinc/69/92/28/168699228.db2.gz YFAMBNVFQCNFLT-UHFFFAOYSA-N 0 0 177.178 2.428 10 0 AEAERN Cc1[nH]ccc(=O)c1Cc1ccccc1 207583187 168699913 /nfs/dbraw/zinc/69/99/13/168699913.db2.gz MRIMCGPXQSIYFD-UHFFFAOYSA-N 0 0 199.253 2.274 10 0 AEAERN Cc1[nH]ccc1C(=O)C(F)(F)F 36420040 168700109 /nfs/dbraw/zinc/70/01/09/168700109.db2.gz AWLQJVYDEIMKKF-UHFFFAOYSA-N 0 0 177.125 2.068 10 0 AEAERN Cc1nc[nH]c1CNc1ccccc1 35392815 168700508 /nfs/dbraw/zinc/70/05/08/168700508.db2.gz DPAAKPCGBYSSGO-UHFFFAOYSA-N 0 0 187.246 2.330 10 0 AEAERN Cc1[nH]ccc1Br 82405387 168700756 /nfs/dbraw/zinc/70/07/56/168700756.db2.gz FCPNPVRMDWXXFH-UHFFFAOYSA-N 0 0 160.014 2.086 10 0 AEAERN Cc1[nH]nc(-c2cccc(F)c2)c1N 35933189 168701786 /nfs/dbraw/zinc/70/17/86/168701786.db2.gz DTFXAZSZKFCCSG-UHFFFAOYSA-N 0 0 191.209 2.106 10 0 AEAERN Cc1n[nH]cc1-c1ccc(C=O)cc1 31993506 168702823 /nfs/dbraw/zinc/70/28/23/168702823.db2.gz KLOWSBMSGNBGTD-UHFFFAOYSA-N 0 0 186.214 2.198 10 0 AEAERN Cc1[nH]nc(NC(C)(C)C)c1C 62669354 168704067 /nfs/dbraw/zinc/70/40/67/168704067.db2.gz WROJIMFCDWWUSO-UHFFFAOYSA-N 0 0 167.256 2.237 10 0 AEAERN Cc1c(-c2ccccc2)cnn1C 34241703 168704233 /nfs/dbraw/zinc/70/42/33/168704233.db2.gz UARPTEZUUVHMBE-UHFFFAOYSA-N 0 0 172.231 2.396 10 0 AEAERN Cc1c(C)c2cc(O)ccc2oc1=O 39218442 168706815 /nfs/dbraw/zinc/70/68/15/168706815.db2.gz FNUYRHOJWKNOPQ-UHFFFAOYSA-N 0 0 190.198 2.115 10 0 AEAERN Cc1c(C)c(O)c2[nH]ccc2c1O 39256431 168706836 /nfs/dbraw/zinc/70/68/36/168706836.db2.gz NYUKEVSTOJNTMU-UHFFFAOYSA-N 0 0 177.203 2.196 10 0 AEAERN Cc1c(C=O)cc2ccccn12 39063429 168707427 /nfs/dbraw/zinc/70/74/27/168707427.db2.gz JUVDYYXSCRJQJW-UHFFFAOYSA-N 0 0 159.188 2.060 10 0 AEAERN Cc1c(C=O)ccc2c1O[C@@H](C)C2 95743759 168707446 /nfs/dbraw/zinc/70/74/46/168707446.db2.gz KYQMFEBRFOAGQY-ZETCQYMHSA-N 0 0 176.215 2.131 10 0 AEAERN Cc1c(C)c(C=O)c2c(c1C)OCC2 139271116 168707918 /nfs/dbraw/zinc/70/79/18/168707918.db2.gz APNUUSIMLROREV-UHFFFAOYSA-N 0 0 190.242 2.359 10 0 AEAERN Cc1c(C=O)cccc1OC1CC1 95741516 168708432 /nfs/dbraw/zinc/70/84/32/168708432.db2.gz PBEKFZLRQQZDDQ-UHFFFAOYSA-N 0 0 176.215 2.349 10 0 AEAERN Cc1c(Cl)ccc2c1CC(=O)N2 38482146 168710401 /nfs/dbraw/zinc/71/04/01/168710401.db2.gz CRPVKCLICXWDGA-UHFFFAOYSA-N 0 0 181.622 2.143 10 0 AEAERN Cc1c(Cl)cccc1NCCCO 41571183 168710435 /nfs/dbraw/zinc/71/04/35/168710435.db2.gz SIQFAHQDPJBYEP-UHFFFAOYSA-N 0 0 199.681 2.443 10 0 AEAERN Cc1c(Cl)cccc1-c1cn[nH]n1 95559254 168710721 /nfs/dbraw/zinc/71/07/21/168710721.db2.gz RWKZEQIQKJMJPD-UHFFFAOYSA-N 0 0 193.637 2.434 10 0 AEAERN Cc1c(Cl)c(N)nn1CC(C)C 20313695 168711420 /nfs/dbraw/zinc/71/14/20/168711420.db2.gz BXUNJOVNTRXDCI-UHFFFAOYSA-N 0 0 187.674 2.083 10 0 AEAERN Cc1c(N)c(-c2cccs2)nn1C 77278184 168712217 /nfs/dbraw/zinc/71/22/17/168712217.db2.gz QVWLUXPWMVDVFI-UHFFFAOYSA-N 0 0 193.275 2.039 10 0 AEAERN Cc1c(F)ccc2cn(C)nc12 75838745 168712664 /nfs/dbraw/zinc/71/26/64/168712664.db2.gz IOPPLZQHCMVRMD-UHFFFAOYSA-N 0 0 164.183 2.021 10 0 AEAERN Cc1c(F)cccc1-c1ncon1 96102596 168713044 /nfs/dbraw/zinc/71/30/44/168713044.db2.gz MSRRLCSFWLOXDK-UHFFFAOYSA-N 0 0 178.166 2.184 10 0 AEAERN Cc1c(N)ccc(C(C)C)c1N 34191146 168713621 /nfs/dbraw/zinc/71/36/21/168713621.db2.gz GAFYTSWTNFTKFJ-UHFFFAOYSA-N 0 0 164.252 2.283 10 0 AEAERN Cc1c[nH]c(CO)c1-c1ccccc1 39074838 168720225 /nfs/dbraw/zinc/72/02/25/168720225.db2.gz XZHYTNYABPYEPQ-UHFFFAOYSA-N 0 0 187.242 2.482 10 0 AEAERN Cc1cc(-c2cccc(N)c2)ncn1 71491477 168720908 /nfs/dbraw/zinc/72/09/08/168720908.db2.gz FBANZQKGUJZQKM-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1cc(-c2ccc(O)cc2)n[nH]1 82868219 168721042 /nfs/dbraw/zinc/72/10/42/168721042.db2.gz WQAUIFNWLOPVKD-UHFFFAOYSA-N 0 0 174.203 2.091 10 0 AEAERN Cc1cc(-c2cc(N)on2)ccc1F 41205819 168721698 /nfs/dbraw/zinc/72/16/98/168721698.db2.gz VLFWPNKCVRFLPJ-UHFFFAOYSA-N 0 0 192.193 2.371 10 0 AEAERN Cc1cc(-c2ccc(O)cc2)no1 34108034 168721862 /nfs/dbraw/zinc/72/18/62/168721862.db2.gz GFMDXDJEIFOOOD-UHFFFAOYSA-N 0 0 175.187 2.356 10 0 AEAERN Cc1cc(-c2ccccc2)[nH]c(=O)c1 39250740 168722399 /nfs/dbraw/zinc/72/23/99/168722399.db2.gz MCQKBMADKGMVDE-UHFFFAOYSA-N 0 0 185.226 2.350 10 0 AEAERN Cc1cc(-c2cc(N)on2)c(C)o1 20078707 168722622 /nfs/dbraw/zinc/72/26/22/168722622.db2.gz FEVMTEJEMAKHCV-UHFFFAOYSA-N 0 0 178.191 2.134 10 0 AEAERN Cc1cc(-c2ccc(N)cc2)no1 32006737 168722683 /nfs/dbraw/zinc/72/26/83/168722683.db2.gz ZWFDQBMKBZFXPL-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1cc(/C=C\C(N)=O)ccc1Cl 44260579 168723287 /nfs/dbraw/zinc/72/32/87/168723287.db2.gz ZQWRXIORDFVQLT-HYXAFXHYSA-N 0 0 195.649 2.147 10 0 AEAERN Cc1cc(-c2cccs2)c[nH]c1=O 40546560 168723298 /nfs/dbraw/zinc/72/32/98/168723298.db2.gz MJKLFAJYBUQOCU-UHFFFAOYSA-N 0 0 191.255 2.412 10 0 AEAERN Cc1cc(-c2ccncc2)c(N)o1 106517895 168723527 /nfs/dbraw/zinc/72/35/27/168723527.db2.gz QKWGZYAUQYYGMR-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1cc(-c2ccccc2N)on1 39017611 168723584 /nfs/dbraw/zinc/72/35/84/168723584.db2.gz GOMRFUITKMRJLO-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 in-vitro AEAERN Cc1cc(-c2cnoc2N)ccc1F 75443231 168723751 /nfs/dbraw/zinc/72/37/51/168723751.db2.gz LKXPVKMVFYOXIQ-UHFFFAOYSA-N 0 0 192.193 2.371 10 0 AEAERN Cc1cc(-c2noc(N)c2C)c(C)o1 36937120 168723810 /nfs/dbraw/zinc/72/38/10/168723810.db2.gz SMQZJQUWUFQHNR-UHFFFAOYSA-N 0 0 192.218 2.442 10 0 AEAERN Cc1cc(-c2ccnc(C)n2)ccn1 91364333 168724006 /nfs/dbraw/zinc/72/40/06/168724006.db2.gz CXENMLMQOWFQLU-UHFFFAOYSA-N 0 0 185.230 2.155 10 0 AEAERN Cc1cc(-c2cncnc2)ccc1N 26544381 168724067 /nfs/dbraw/zinc/72/40/67/168724067.db2.gz JQLGNHBXJXHDDE-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1cc(-n2cncc2C)ccc1N 82655668 168724271 /nfs/dbraw/zinc/72/42/71/168724271.db2.gz JRNNFTLOJRWKML-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN Cc1cc(-c2ccccc2)c[nH]c1=O 47211851 168724443 /nfs/dbraw/zinc/72/44/43/168724443.db2.gz HJGUZLHQZFMAQT-UHFFFAOYSA-N 0 0 185.226 2.350 10 0 AEAERN Cc1cc(-c2onc(C)c2N)c(C)[nH]1 77276253 168724494 /nfs/dbraw/zinc/72/44/94/168724494.db2.gz HRURSVVGVLWPBX-UHFFFAOYSA-N 0 0 191.234 2.177 10 0 AEAERN Cc1cc(C2N=NC(=S)O2)c(C)o1 34964312 168724687 /nfs/dbraw/zinc/72/46/87/168724687.db2.gz VZOPTUSEMHBSHI-UHFFFAOYSA-N 0 0 196.231 2.235 10 0 AEAERN Cc1cc(=O)cc(C(C)(C)C)o1 71186813 168724829 /nfs/dbraw/zinc/72/48/29/168724829.db2.gz FNCJXUJBIPTJLF-UHFFFAOYSA-N 0 0 166.220 2.246 10 0 AEAERN Cc1cc(=O)cc(C(C)C)o1 39103112 168725911 /nfs/dbraw/zinc/72/59/11/168725911.db2.gz ZWCPUSUFIVFIAM-UHFFFAOYSA-N 0 0 152.193 2.072 10 0 AEAERN Cc1cc(=O)c2ccc3[nH]ccc3c2[nH]1 28521520 168726030 /nfs/dbraw/zinc/72/60/30/168726030.db2.gz CYQMGMFNSCKGOB-UHFFFAOYSA-N 0 0 198.225 2.318 10 0 AEAERN Cc1cc(=O)c2c(ccc3[nH]ccc32)[nH]1 28571677 168726116 /nfs/dbraw/zinc/72/61/16/168726116.db2.gz MYJAJFQCQNCTNS-UHFFFAOYSA-N 0 0 198.225 2.318 10 0 AEAERN Cc1cc(C(=O)C(F)(F)F)n(C)c1 39055175 168730295 /nfs/dbraw/zinc/73/02/95/168730295.db2.gz BKVXFYSDYUGGJJ-UHFFFAOYSA-N 0 0 191.152 2.079 10 0 AEAERN Cc1cc(C(=O)N2C[C@H](C)[C@@H]2C)co1 334165480 168732231 /nfs/dbraw/zinc/73/22/31/168732231.db2.gz AFJYHQVNYFGWIQ-CBAPKCEASA-N 0 0 193.246 2.068 10 0 AEAERN Cc1cc(C(=O)N2C[C@@H](C)[C@@H]2C)co1 334165468 168732321 /nfs/dbraw/zinc/73/23/21/168732321.db2.gz AFJYHQVNYFGWIQ-APPZFPTMSA-N 0 0 193.246 2.068 10 0 AEAERN Cc1cc(C)c(O[C@H](C)CO)cc1C 41206814 168740363 /nfs/dbraw/zinc/74/03/63/168740363.db2.gz KMZKUUAVOBFZHY-LLVKDONJSA-N 0 0 194.274 2.371 10 0 AEAERN Cc1cc(C)c2c(c1)NCC[C@@H]2O 71480159 168740846 /nfs/dbraw/zinc/74/08/46/168740846.db2.gz KAJHLIAFTBUHCU-JTQLQIEISA-N 0 0 177.247 2.152 10 0 AEAERN Cc1cc(C)c2c(c1)[C@H](O)CCN2 71480127 168740875 /nfs/dbraw/zinc/74/08/75/168740875.db2.gz OVOKMUZDUQYADN-SNVBAGLBSA-N 0 0 177.247 2.152 10 0 AEAERN Cc1cc(C)c2c(c1)C[C@@H](C)C(=O)N2 49806440 168740920 /nfs/dbraw/zinc/74/09/20/168740920.db2.gz UVMYXSHOZSADJA-SECBINFHSA-N 0 0 189.258 2.434 10 0 AEAERN Cc1cc(C)c2c(CO)cn(C)c2c1 59731821 168740982 /nfs/dbraw/zinc/74/09/82/168740982.db2.gz NMAXJHGLWKUKIE-UHFFFAOYSA-N 0 0 189.258 2.287 10 0 AEAERN Cc1cc(C)c2c(c1)OCCC(=O)N2 62521016 168741083 /nfs/dbraw/zinc/74/10/83/168741083.db2.gz LZKXHSLAAKTOIR-UHFFFAOYSA-N 0 0 191.230 2.024 10 0 AEAERN Cc1cc(C)c2c(c1)OC[C@@H](C)N2 62519818 168741222 /nfs/dbraw/zinc/74/12/22/168741222.db2.gz UYNCXRPUDKAANE-SECBINFHSA-N 0 0 177.247 2.496 10 0 AEAERN Cc1cc(C)c2c(c1)C(=O)NC[C@@H]2C 58520896 168741247 /nfs/dbraw/zinc/74/12/47/168741247.db2.gz HGIRFLNSWYEJSJ-VIFPVBQESA-N 0 0 189.258 2.150 10 0 AEAERN Cc1cc(C)c2c(c1)C(=O)NC[C@H]2C 58520897 168741290 /nfs/dbraw/zinc/74/12/90/168741290.db2.gz HGIRFLNSWYEJSJ-SECBINFHSA-N 0 0 189.258 2.150 10 0 AEAERN Cc1cc(C)c2c(c1)N[C@@H](C)CO2 62519709 168741303 /nfs/dbraw/zinc/74/13/03/168741303.db2.gz AIMXSLFMNFBPLM-VIFPVBQESA-N 0 0 177.247 2.496 10 0 AEAERN Cc1cc(C)c2c(Cl)ncnc2n1 38541173 168741330 /nfs/dbraw/zinc/74/13/30/168741330.db2.gz ANVFHSCWJIHJIJ-UHFFFAOYSA-N 0 0 193.637 2.295 10 0 AEAERN Cc1cc(C)c2c(c1)[C@@H](C)C(=O)N2 105901491 168741720 /nfs/dbraw/zinc/74/17/20/168741720.db2.gz NUTBGOGINJTFBH-MRVPVSSYSA-N 0 0 175.231 2.359 10 0 AEAERN Cc1cc(C)c2c(c1)OCC[C@@H]2O 33494988 168741826 /nfs/dbraw/zinc/74/18/26/168741826.db2.gz XAKHLSDUAKKFIQ-VIFPVBQESA-N 0 0 178.231 2.119 10 0 AEAERN Cc1cc(C)c2c(c1)NC[C@H](C)O2 62519669 168741846 /nfs/dbraw/zinc/74/18/46/168741846.db2.gz MTFZEFUBSBMJBZ-VIFPVBQESA-N 0 0 177.247 2.496 10 0 AEAERN Cc1cc(C)c2c(CO)c[nH]c2c1 59731677 168741875 /nfs/dbraw/zinc/74/18/75/168741875.db2.gz DKYCXJVTTTZIMJ-UHFFFAOYSA-N 0 0 175.231 2.277 10 0 AEAERN Cc1cc(C)c2c(c1)COCC2 2389233 168742110 /nfs/dbraw/zinc/74/21/10/168742110.db2.gz HOKKXBQJJRGRQQ-UHFFFAOYSA-N 0 0 162.232 2.376 10 0 AEAERN Cc1cc(C)c2c(c1)OCC[C@H]2O 33494990 168742123 /nfs/dbraw/zinc/74/21/23/168742123.db2.gz XAKHLSDUAKKFIQ-SECBINFHSA-N 0 0 178.231 2.119 10 0 AEAERN Cc1cc(C)c2c(c1C)OC(=O)C2 33605834 168742145 /nfs/dbraw/zinc/74/21/45/168742145.db2.gz JXXYXRFBCPVYOO-UHFFFAOYSA-N 0 0 176.215 2.073 10 0 AEAERN Cc1cc(C)c2oc(N)nc2c1C 62519489 168742568 /nfs/dbraw/zinc/74/25/68/168742568.db2.gz RSBSNXHHFQQLKE-UHFFFAOYSA-N 0 0 176.219 2.335 10 0 AEAERN Cc1cc(C)cc(-n2cc(N)cn2)c1 35778609 168743068 /nfs/dbraw/zinc/74/30/68/168743068.db2.gz FOTAIHBQIYKTML-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN Cc1cc(C)cc(CC(N)=S)c1 38076799 168743351 /nfs/dbraw/zinc/74/33/51/168743351.db2.gz IUKNHBWDXBHOPC-UHFFFAOYSA-N 0 0 179.288 2.132 10 0 AEAERN Cc1cc(C)cc(C2=NCCO2)c1 90376441 168743608 /nfs/dbraw/zinc/74/36/08/168743608.db2.gz VHIWYCUMPDFPOH-UHFFFAOYSA-N 0 0 175.231 2.080 10 0 AEAERN Cc1cc(C)c2oc(=O)[nH]c2c1C 62519581 168743626 /nfs/dbraw/zinc/74/36/26/168743626.db2.gz ZUFLBHZODWATLN-UHFFFAOYSA-N 0 0 177.203 2.046 10 0 AEAERN Cc1cc(C)c2c(c1N)OC[C@@H](C)N2 62521839 168743869 /nfs/dbraw/zinc/74/38/69/168743869.db2.gz DRZDSLAAYFQYLK-MRVPVSSYSA-N 0 0 192.262 2.078 10 0 AEAERN Cc1cc(C)c2nccnc2c1 39953814 168744034 /nfs/dbraw/zinc/74/40/34/168744034.db2.gz LRONGHRJOXENBN-UHFFFAOYSA-N 0 0 158.204 2.247 10 0 AEAERN Cc1cc(C)c2oc(=O)n(C)c2c1C 62521084 168744154 /nfs/dbraw/zinc/74/41/54/168744154.db2.gz IWIMXUYEHMLITE-UHFFFAOYSA-N 0 0 191.230 2.057 10 0 AEAERN Cc1cc(C)c2cc(CO)[nH]c2c1 39111401 168744369 /nfs/dbraw/zinc/74/43/69/168744369.db2.gz UMEMIXNDRNYOJG-UHFFFAOYSA-N 0 0 175.231 2.277 10 0 AEAERN Cc1cc(C)cc(O[C@H](C)[C@@H](C)O)c1 44211298 168744512 /nfs/dbraw/zinc/74/45/12/168744512.db2.gz JPWOWZUFDHBVNW-GHMZBOCLSA-N 0 0 194.274 2.452 10 0 AEAERN Cc1cc(C)cc(O[C@@H](C)[C@H](C)O)c1 44211301 168745144 /nfs/dbraw/zinc/74/51/44/168745144.db2.gz JPWOWZUFDHBVNW-QWRGUYRKSA-N 0 0 194.274 2.452 10 0 AEAERN Cc1cc(C)cc(O[C@H](C)[C@H](C)O)c1 44211304 168745213 /nfs/dbraw/zinc/74/52/13/168745213.db2.gz JPWOWZUFDHBVNW-WDEREUQCSA-N 0 0 194.274 2.452 10 0 AEAERN Cc1cc(C)cc([C@@H](C)CC(N)=O)c1 41205418 168745314 /nfs/dbraw/zinc/74/53/14/168745314.db2.gz JJZPQSWIVDQOCW-JTQLQIEISA-N 0 0 191.274 2.282 10 0 AEAERN Cc1cc(C)cc([C@H](C)CC(N)=O)c1 41205420 168745377 /nfs/dbraw/zinc/74/53/77/168745377.db2.gz JJZPQSWIVDQOCW-SNVBAGLBSA-N 0 0 191.274 2.282 10 0 AEAERN Cc1cc(C)n(CCCC[C@H](C)O)n1 45620746 168746563 /nfs/dbraw/zinc/74/65/63/168746563.db2.gz FRIOPLRLWULORI-NSHDSACASA-N 0 0 196.294 2.051 10 0 AEAERN Cc1cc(C)nc(N[C@H]2CC[C@H]2C)n1 307045115 168748679 /nfs/dbraw/zinc/74/86/79/168748679.db2.gz ZIDOKNDDRUAQDN-XCBNKYQSSA-N 0 0 191.278 2.304 10 0 AEAERN Cc1cc(C)nc(N[C@@H]2CC23CC3)n1 335103862 168748804 /nfs/dbraw/zinc/74/88/04/168748804.db2.gz DYJAPGZKIOMHNB-SECBINFHSA-N 0 0 189.262 2.058 10 0 AEAERN Cc1cc(C2(C)OCCO2)ccc1F 57489940 168749638 /nfs/dbraw/zinc/74/96/38/168749638.db2.gz CJWVYHRDMUDNKL-UHFFFAOYSA-N 0 0 196.221 2.354 10 0 AEAERN Cc1cc(C)nc(-c2ccc(N)cc2)n1 70952205 168749825 /nfs/dbraw/zinc/74/98/25/168749825.db2.gz COXVLPVXGFFMNV-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1cc(C=O)ccc1OC1CC1 95741433 168750212 /nfs/dbraw/zinc/75/02/12/168750212.db2.gz JCRYASZPRHEUCD-UHFFFAOYSA-N 0 0 176.215 2.349 10 0 AEAERN Cc1cc(C=O)n(CC(C)(C)C)n1 72219957 168750712 /nfs/dbraw/zinc/75/07/12/168750712.db2.gz YGDSPTMNZFKHNA-UHFFFAOYSA-N 0 0 180.251 2.050 10 0 AEAERN Cc1cc(C2CCCC2)c(N)nn1 71624578 168750718 /nfs/dbraw/zinc/75/07/18/168750718.db2.gz FIWMZRLWMYBHFX-UHFFFAOYSA-N 0 0 177.251 2.025 10 0 AEAERN Cc1cc(C2CCCCC2)nc(N)n1 52837968 168750783 /nfs/dbraw/zinc/75/07/83/168750783.db2.gz LWPFXDMTLBPHNR-UHFFFAOYSA-N 0 0 191.278 2.415 10 0 AEAERN Cc1cc(C=O)c2ncccc2c1 82769137 168751062 /nfs/dbraw/zinc/75/10/62/168751062.db2.gz OPOLTZAJWPYHOA-UHFFFAOYSA-N 0 0 171.199 2.356 10 0 AEAERN Cc1cc(C=O)ccc1OC(F)F 72190274 168751225 /nfs/dbraw/zinc/75/12/25/168751225.db2.gz BIQULEZGYCYXIT-UHFFFAOYSA-N 0 0 186.157 2.409 10 0 AEAERN Cc1cc(C=O)c(Cl)c(C=O)c1 75576148 168751457 /nfs/dbraw/zinc/75/14/57/168751457.db2.gz BPRVBCOGGBNHOX-UHFFFAOYSA-N 0 0 182.606 2.273 10 0 AEAERN Cc1cc(CCCO)ccc1F 44396236 168753003 /nfs/dbraw/zinc/75/30/03/168753003.db2.gz MJGFTJJCDHJODK-UHFFFAOYSA-N 0 0 168.211 2.059 10 0 AEAERN Cc1cc(CN2CC(F)C2)ccc1F 336447335 168755003 /nfs/dbraw/zinc/75/50/03/168755003.db2.gz GZHHEQIPDUEGKA-UHFFFAOYSA-N 0 0 197.228 2.288 10 0 AEAERN Cc1cc(CNc2ccccc2)ncn1 309053082 168757137 /nfs/dbraw/zinc/75/71/37/168757137.db2.gz SBBHPXYJGZNWLA-UHFFFAOYSA-N 0 0 199.257 2.397 10 0 AEAERN Cc1cc(CSC(C)C)ncn1 306796400 168757502 /nfs/dbraw/zinc/75/75/02/168757502.db2.gz WFIGPVBLBMPSRW-UHFFFAOYSA-N 0 0 182.292 2.427 10 0 AEAERN Cc1cc(CO)c(O)c(C(C)(C)C)c1 6069675 168758189 /nfs/dbraw/zinc/75/81/89/168758189.db2.gz OVXVAICEGAXQFZ-UHFFFAOYSA-N 0 0 194.274 2.490 10 0 AEAERN Cc1cc(CO)cc(C)c1C 3122472 168758548 /nfs/dbraw/zinc/75/85/48/168758548.db2.gz RUPONURESHSCBM-UHFFFAOYSA-N 0 0 150.221 2.104 10 0 AEAERN Cc1cc(Cl)ccc1C(=O)C=O 75576147 168759709 /nfs/dbraw/zinc/75/97/09/168759709.db2.gz NRPOXJPVPAWFNN-UHFFFAOYSA-N 0 0 182.606 2.030 10 0 AEAERN Cc1cc(Cl)ccc1/C=C\C(N)=O 44260574 168759788 /nfs/dbraw/zinc/75/97/88/168759788.db2.gz UYIPTCITVYKLEX-HYXAFXHYSA-N 0 0 195.649 2.147 10 0 AEAERN Cc1cc(Cl)c2c(C=O)n[nH]c2c1 14984697 168759880 /nfs/dbraw/zinc/75/98/80/168759880.db2.gz ZGDPQQYNEIEERQ-UHFFFAOYSA-N 0 0 194.621 2.337 10 0 AEAERN Cc1cc(F)c(OC2CC2)cn1 95721987 168760931 /nfs/dbraw/zinc/76/09/31/168760931.db2.gz SZGAJVZBSREEOB-UHFFFAOYSA-N 0 0 167.183 2.070 10 0 AEAERN Cc1cc(Cl)ccc1NC[C@H](C)O 32009853 168761357 /nfs/dbraw/zinc/76/13/57/168761357.db2.gz AXTCQDPJWVOAKD-QMMMGPOBSA-N 0 0 199.681 2.441 10 0 AEAERN Cc1cc(Cl)ccc1OC[C@@H]1CO1 2036455 168761622 /nfs/dbraw/zinc/76/16/22/168761622.db2.gz KDBBGYPENVUBRQ-VIFPVBQESA-N 0 0 198.649 2.426 10 0 AEAERN Cc1cc(Cl)nc2c1CCN2 33415107 168761884 /nfs/dbraw/zinc/76/18/84/168761884.db2.gz GTSGIRVTBDSWQW-UHFFFAOYSA-N 0 0 168.627 2.011 10 0 AEAERN Cc1cc(F)cc2c1CC[C@H]2O 50568888 168762078 /nfs/dbraw/zinc/76/20/78/168762078.db2.gz XJWJGBBONNDQCY-SNVBAGLBSA-N 0 0 166.195 2.114 10 0 AEAERN Cc1cc(F)ccc1N(C)C 33506257 168762861 /nfs/dbraw/zinc/76/28/61/168762861.db2.gz XCGOAKAAORSAPJ-UHFFFAOYSA-N 0 0 153.200 2.200 10 0 AEAERN Cc1cc(F)cc2sc(=O)[nH]c12 43220505 168762875 /nfs/dbraw/zinc/76/28/75/168762875.db2.gz ILPFVBTXFLHGKT-UHFFFAOYSA-N 0 0 183.207 2.037 10 0 AEAERN Cc1cc(F)cc(C2OCCO2)c1 44231311 168763333 /nfs/dbraw/zinc/76/33/33/168763333.db2.gz YONBLMGHOFZNAB-UHFFFAOYSA-N 0 0 182.194 2.180 10 0 AEAERN Cc1cc(N(C)C)cnc1Cl 62465535 168763824 /nfs/dbraw/zinc/76/38/24/168763824.db2.gz RJGKESOGAXITTH-UHFFFAOYSA-N 0 0 170.643 2.109 10 0 AEAERN Cc1cc(F)ncc1OC1CC1 95724184 168764498 /nfs/dbraw/zinc/76/44/98/168764498.db2.gz ZBZYVMOMXXRWJP-UHFFFAOYSA-N 0 0 167.183 2.070 10 0 AEAERN Cc1cc(N)c(C)c2scnc12 45236367 168764552 /nfs/dbraw/zinc/76/45/52/168764552.db2.gz QHNJEZZTFHKWFM-UHFFFAOYSA-N 0 0 178.260 2.495 10 0 AEAERN Cc1cc(N)c(C(C)C)cc1O 34727833 168764768 /nfs/dbraw/zinc/76/47/68/168764768.db2.gz XWWPDVFBOMXJRF-UHFFFAOYSA-N 0 0 165.236 2.406 10 0 AEAERN Cc1cc(N)ccc1SC[C@H](C)O 37688092 168765408 /nfs/dbraw/zinc/76/54/08/168765408.db2.gz DQRVLKDXBMLTHN-QMMMGPOBSA-N 0 0 197.303 2.050 10 0 AEAERN Cc1cc(N)ccc1-c1ncccn1 39121257 168766910 /nfs/dbraw/zinc/76/69/10/168766910.db2.gz RVDVHSPEPYZRSQ-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1cc(N)nnc1-c1ccccc1 54930990 168767134 /nfs/dbraw/zinc/76/71/34/168767134.db2.gz WZOOTWYQPKVYOS-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1cc(N)sc1Br 107087172 168767161 /nfs/dbraw/zinc/76/71/61/168767161.db2.gz SDEJVVPQVIIESL-UHFFFAOYSA-N 0 0 192.081 2.401 10 0 AEAERN Cc1cc(N2CCCC2)ccc1CO 50582374 168768018 /nfs/dbraw/zinc/76/80/18/168768018.db2.gz NPKLRZRQIJWMAZ-UHFFFAOYSA-N 0 0 191.274 2.088 10 0 AEAERN Cc1cc(N)cnc1OCCC(C)C 52813649 168768566 /nfs/dbraw/zinc/76/85/66/168768566.db2.gz FYYSNAXEQRKFIJ-UHFFFAOYSA-N 0 0 194.278 2.397 10 0 AEAERN Cc1cc(N2[C@H](C)C[C@H]2C)nc(C)n1 334880769 168769098 /nfs/dbraw/zinc/76/90/98/168769098.db2.gz XLZIBVXPEADQKD-RKDXNWHRSA-N 0 0 191.278 2.081 10 0 AEAERN Cc1cc(NC2CC2)nc(C(C)C)n1 35121287 168769417 /nfs/dbraw/zinc/76/94/17/168769417.db2.gz DTFBTABYLBJJRE-UHFFFAOYSA-N 0 0 191.278 2.483 10 0 AEAERN Cc1cc(NC(=O)OC(C)(C)C)on1 38293103 168769842 /nfs/dbraw/zinc/76/98/42/168769842.db2.gz IMSHVRRNAZVAFS-UHFFFAOYSA-N 0 0 198.222 2.330 10 0 AEAERN Cc1cc(NC(N)=O)cc(C)c1Cl 306424301 168770108 /nfs/dbraw/zinc/77/01/08/168770108.db2.gz BVJYADQLGCLZNB-UHFFFAOYSA-N 0 0 198.653 2.447 10 0 AEAERN Cc1cc(NCC(C)C)no1 83339600 168770931 /nfs/dbraw/zinc/77/09/31/168770931.db2.gz BYSZJIMHSSAOPU-UHFFFAOYSA-N 0 0 154.213 2.051 10 0 AEAERN Cc1cc(N[C@H]2CC23CC3)nc(C)n1 335105943 168771152 /nfs/dbraw/zinc/77/11/52/168771152.db2.gz ZPOUZRHVQBQFIY-VIFPVBQESA-N 0 0 189.262 2.058 10 0 AEAERN Cc1cc(NCC2(C)CCC2)nn1C 307702407 168771296 /nfs/dbraw/zinc/77/12/96/168771296.db2.gz UCJHJHDNHUSPET-UHFFFAOYSA-N 0 0 193.294 2.331 10 0 AEAERN Cc1cc(N[C@@H]2CC[C@H]2C)nc(C)n1 307571470 168771478 /nfs/dbraw/zinc/77/14/78/168771478.db2.gz DBVGNTRTUHTDSB-GMSGAONNSA-N 0 0 191.278 2.304 10 0 AEAERN Cc1cc(NCc2cccs2)n[nH]1 83341998 168772007 /nfs/dbraw/zinc/77/20/07/168772007.db2.gz HEHQDNJHIVFGLA-UHFFFAOYSA-N 0 0 193.275 2.392 10 0 AEAERN Cc1cc(NN)c(C)cc1Cl 3676528 168772040 /nfs/dbraw/zinc/77/20/40/168772040.db2.gz VFNDPTLEHPKAEH-UHFFFAOYSA-N 0 0 170.643 2.242 10 0 AEAERN Cc1cc(N[C@H]2C[C@H]2C)ccc1N 52274025 168773202 /nfs/dbraw/zinc/77/32/02/168773202.db2.gz IEFMEYQBLBTZBK-KCJUWKMLSA-N 0 0 176.263 2.398 10 0 AEAERN Cc1cc(O)c(C)c(C)c1[C@H](C)O 71456319 168773229 /nfs/dbraw/zinc/77/32/29/168773229.db2.gz FTUQVMJZGNPREZ-VIFPVBQESA-N 0 0 180.247 2.371 10 0 AEAERN Cc1cc(O)c2c(c1)C(C)(C)CN2 39116481 168773902 /nfs/dbraw/zinc/77/39/02/168773902.db2.gz RMACNUUDUHSGBV-UHFFFAOYSA-N 0 0 177.247 2.404 10 0 AEAERN Cc1cc(O)cc(C)c1[C@@H](C)O 71456824 168774112 /nfs/dbraw/zinc/77/41/12/168774112.db2.gz SMAGTYXTZFIUOM-MRVPVSSYSA-N 0 0 166.220 2.062 10 0 AEAERN Cc1cc(O)c(C(C)C)cc1CO 2037888 168774165 /nfs/dbraw/zinc/77/41/65/168774165.db2.gz OTVWOWODDGZITR-UHFFFAOYSA-N 0 0 180.247 2.316 10 0 AEAERN Cc1cc(O)cc2[nH]ccc12 14984666 168774696 /nfs/dbraw/zinc/77/46/96/168774696.db2.gz IZFUTCMHTCJGQR-UHFFFAOYSA-N 0 0 147.177 2.182 10 0 AEAERN Cc1cc(OCC2CCCC2)nn1C 336491951 168775339 /nfs/dbraw/zinc/77/53/39/168775339.db2.gz YTFWFOMMFYATGY-UHFFFAOYSA-N 0 0 194.278 2.298 10 0 AEAERN Cc1cc(O)cc2c1CCC2 5765164 168775947 /nfs/dbraw/zinc/77/59/47/168775947.db2.gz IAQJQARSMHTBDV-UHFFFAOYSA-N 0 0 148.205 2.189 10 0 AEAERN Cc1cc(OC2CC2)c(F)cn1 95721778 168775950 /nfs/dbraw/zinc/77/59/50/168775950.db2.gz UJOTZCSCHGWZDM-UHFFFAOYSA-N 0 0 167.183 2.070 10 0 AEAERN Cc1cc(OC2CC2)cnc1C 95720418 168776461 /nfs/dbraw/zinc/77/64/61/168776461.db2.gz GXIGYIGPLOOUQJ-UHFFFAOYSA-N 0 0 163.220 2.240 10 0 AEAERN Cc1cc(OC2CC2)ccc1C=O 95741465 168776590 /nfs/dbraw/zinc/77/65/90/168776590.db2.gz COQJQNHWASYMHA-UHFFFAOYSA-N 0 0 176.215 2.349 10 0 AEAERN Cc1cc([C@@H](C)[NH3+])c(C)cc1C(=O)[O-] 83592862 168777653 /nfs/dbraw/zinc/77/76/53/168777653.db2.gz VMDGDNUIXVBYEQ-MRVPVSSYSA-N 0 0 193.246 2.021 10 0 AEAERN Cc1cc([C@@H](C)O)c2ocnc2c1C 41652804 168777672 /nfs/dbraw/zinc/77/76/72/168777672.db2.gz VEHXSWKORLFYFU-MRVPVSSYSA-N 0 0 191.230 2.498 10 0 AEAERN Cc1cc([C@@H](C)O)c2ocnc2c1 41652768 168778008 /nfs/dbraw/zinc/77/80/08/168778008.db2.gz OZFWXPAAPPGUOV-SSDOTTSWSA-N 0 0 177.203 2.190 10 0 AEAERN Cc1cc(OCCO)ccc1C(C)C 35650229 168778070 /nfs/dbraw/zinc/77/80/70/168778070.db2.gz VNIVNNMILKSTFT-UHFFFAOYSA-N 0 0 194.274 2.490 10 0 AEAERN Cc1cc([C@@H](C)O)c(C)c(C)c1O 75570074 168778072 /nfs/dbraw/zinc/77/80/72/168778072.db2.gz DOYONZNYZUQGNI-SECBINFHSA-N 0 0 180.247 2.371 10 0 AEAERN Cc1cc([C@@H](C)NO)c(C)s1 39017568 168778383 /nfs/dbraw/zinc/77/83/83/168778383.db2.gz KULUHPZFNUSKGJ-ZCFIWIBFSA-N 0 0 171.265 2.405 10 0 AEAERN Cc1cc([C@@H](C)O)c(C)n1C1CC1 77267801 168778486 /nfs/dbraw/zinc/77/84/86/168778486.db2.gz AZQIXKPBBKTGEK-SECBINFHSA-N 0 0 179.263 2.493 10 0 AEAERN Cc1cc([C@@H](C)CC(N)=O)ccc1F 41206963 168778535 /nfs/dbraw/zinc/77/85/35/168778535.db2.gz LYMGFOOIWBBLKC-ZETCQYMHSA-N 0 0 195.237 2.113 10 0 AEAERN Cc1cc([C@@H]2CCC(=O)N2)ccc1F 57937294 168779698 /nfs/dbraw/zinc/77/96/98/168779698.db2.gz AOQXTQCFEATFFO-JTQLQIEISA-N 0 0 193.221 2.085 10 0 AEAERN Cc1cc([C@H](C)O)c(C)n1C1CC1 77267804 168781255 /nfs/dbraw/zinc/78/12/55/168781255.db2.gz AZQIXKPBBKTGEK-VIFPVBQESA-N 0 0 179.263 2.493 10 0 AEAERN Cc1cc([C@H](N)C(F)(F)F)c(C)o1 43611434 168781787 /nfs/dbraw/zinc/78/17/87/168781787.db2.gz MHMJEQRMLVBDSW-ZETCQYMHSA-N 0 0 193.168 2.459 10 0 AEAERN Cc1cc([C@H]2CCCN2N)ccc1F 77295419 168782426 /nfs/dbraw/zinc/78/24/26/168782426.db2.gz BULZQFGGCOTIDJ-LLVKDONJSA-N 0 0 194.253 2.145 10 0 AEAERN Cc1cc2[nH]cc(C)c(=O)c2cc1C 71489963 168784463 /nfs/dbraw/zinc/78/44/63/168784463.db2.gz HPWKWSANVPBHKO-UHFFFAOYSA-N 0 0 187.242 2.453 10 0 AEAERN Cc1cc2[nH]c(=O)oc2cc1Cl 62152896 168784659 /nfs/dbraw/zinc/78/46/59/168784659.db2.gz FFMQOFLPRYYZRP-UHFFFAOYSA-N 0 0 183.594 2.083 10 0 AEAERN Cc1cc2c(C=O)cccc2cn1 82768954 168785804 /nfs/dbraw/zinc/78/58/04/168785804.db2.gz JMUYEEDGEJKEDS-UHFFFAOYSA-N 0 0 171.199 2.356 10 0 AEAERN Cc1cc2c([nH]c1=O)[C@@H](C)CCC2 49805401 168786056 /nfs/dbraw/zinc/78/60/56/168786056.db2.gz XQFZBLXNMRMKMU-ZETCQYMHSA-N 0 0 177.247 2.123 10 0 AEAERN Cc1cc2c(N)c(O)ccc2s1 82397013 168786237 /nfs/dbraw/zinc/78/62/37/168786237.db2.gz FLSMLMAHBVXDTI-UHFFFAOYSA-N 0 0 179.244 2.498 10 0 AEAERN Cc1cc2c(cc1C)O[C@H](C)C(=O)N2 62520872 168786246 /nfs/dbraw/zinc/78/62/46/168786246.db2.gz GRWVPBVGKBHKGE-MRVPVSSYSA-N 0 0 191.230 2.023 10 0 AEAERN Cc1cc2c(cc1C)OC[C@@H](C)N2 62519689 168786255 /nfs/dbraw/zinc/78/62/55/168786255.db2.gz GFSGADPYXPEBST-SECBINFHSA-N 0 0 177.247 2.496 10 0 AEAERN Cc1cc2c(cc1C)O[C@@H](C)C(=O)N2 62520875 168786375 /nfs/dbraw/zinc/78/63/75/168786375.db2.gz GRWVPBVGKBHKGE-QMMMGPOBSA-N 0 0 191.230 2.023 10 0 AEAERN Cc1cc2c(cc1C)[C@H](O)CCN2 71480176 168786622 /nfs/dbraw/zinc/78/66/22/168786622.db2.gz MUOLQUKAWMFWKA-LLVKDONJSA-N 0 0 177.247 2.152 10 0 AEAERN Cc1cc2c(cc1C)[C@H](C)CNC2=O 58520890 168786660 /nfs/dbraw/zinc/78/66/60/168786660.db2.gz WMIQSCIKCOMSID-SECBINFHSA-N 0 0 189.258 2.150 10 0 AEAERN Cc1cc2c([nH]c1=O)[C@H](C)[C@@H](C)CC2 49806764 168786820 /nfs/dbraw/zinc/78/68/20/168786820.db2.gz LZCKBCLMFRGQSP-IONNQARKSA-N 0 0 191.274 2.369 10 0 AEAERN Cc1cc2c(cc1C)N[C@H](C)C(=O)N2 38218670 168786834 /nfs/dbraw/zinc/78/68/34/168786834.db2.gz INIYHCUZVGWZMG-MRVPVSSYSA-N 0 0 190.246 2.056 10 0 AEAERN Cc1cc2c(N)nc(Cl)nc2s1 36277120 168786851 /nfs/dbraw/zinc/78/68/51/168786851.db2.gz WZSLNHXZUOQMFT-UHFFFAOYSA-N 0 0 199.666 2.235 10 0 AEAERN Cc1cc2c(cc1C)O[C@@H](C)CN2 62519667 168786899 /nfs/dbraw/zinc/78/68/99/168786899.db2.gz PMHFVGOMMKOMNO-VIFPVBQESA-N 0 0 177.247 2.496 10 0 AEAERN Cc1cc2c([nH]c1=O)[C@H](C)C[C@@H](C)C2 49806768 168786912 /nfs/dbraw/zinc/78/69/12/168786912.db2.gz ORVGJLWOQUJBPY-HTQZYQBOSA-N 0 0 191.274 2.369 10 0 AEAERN Cc1cc2c([nH]c1=O)C[C@@H](C)C[C@H]2C 49806777 168787123 /nfs/dbraw/zinc/78/71/23/168787123.db2.gz VGSCGKNLUCUYMX-JGVFFNPUSA-N 0 0 191.274 2.369 10 0 AEAERN Cc1cc2c([nH]c1=O)C[C@@H](C)[C@@H](C)C2 49806773 168787170 /nfs/dbraw/zinc/78/71/70/168787170.db2.gz PEZNVYHBCOOTQX-JGVFFNPUSA-N 0 0 191.274 2.054 10 0 AEAERN Cc1cc2c(c(C)c1N)NC[C@H](C)O2 62521787 168787367 /nfs/dbraw/zinc/78/73/67/168787367.db2.gz JBRPJSVYGWIBCA-ZETCQYMHSA-N 0 0 192.262 2.078 10 0 AEAERN Cc1cc2c(c(C)n1)C(=O)CCC2 82399038 168787391 /nfs/dbraw/zinc/78/73/91/168787391.db2.gz RSJAQFGPWPNCHY-UHFFFAOYSA-N 0 0 175.231 2.217 10 0 AEAERN Cc1cc2cc(N)cc(C)c2[nH]1 82405261 168787667 /nfs/dbraw/zinc/78/76/67/168787667.db2.gz WHOKVHCVNZASKA-UHFFFAOYSA-N 0 0 160.220 2.367 10 0 AEAERN Cc1cc2c(cc1Cl)OCCN2 62520296 168787681 /nfs/dbraw/zinc/78/76/81/168787681.db2.gz KKSMNZWURZMJMS-UHFFFAOYSA-N 0 0 183.638 2.453 10 0 AEAERN Cc1cc2c(cc1F)NC(=O)CCC2 57937300 168787822 /nfs/dbraw/zinc/78/78/22/168787822.db2.gz ILLOZOGHEAJBHB-UHFFFAOYSA-N 0 0 193.221 2.409 10 0 AEAERN Cc1cc2c(cc1O)C(=O)C[C@@H]2C 75566343 168788117 /nfs/dbraw/zinc/78/81/17/168788117.db2.gz RKZMLEZQBPGAOH-LURJTMIESA-N 0 0 176.215 2.391 10 0 AEAERN Cc1cc2c(o1)C(C)(C)C[C@H]2O 57347073 168788378 /nfs/dbraw/zinc/78/83/78/168788378.db2.gz GIDZINVOLNLLJT-MRVPVSSYSA-N 0 0 166.220 2.303 10 0 AEAERN Cc1cc2c(o1)C[C@@H](C)CC2=O 34499100 168788499 /nfs/dbraw/zinc/78/84/99/168788499.db2.gz VZAFMJMBWIZKMZ-LURJTMIESA-N 0 0 164.204 2.353 10 0 AEAERN Cc1cc2c(cc1O)[C@@H](C)CO2 38949235 168788607 /nfs/dbraw/zinc/78/86/07/168788607.db2.gz YIVAIOVEFFVVGE-ZETCQYMHSA-N 0 0 164.204 2.197 10 0 AEAERN Cc1cc2c(n1C)CC(C)(C)CC2=O 41705299 168788946 /nfs/dbraw/zinc/78/89/46/168788946.db2.gz URNLZDNZAMMBPG-UHFFFAOYSA-N 0 0 191.274 2.489 10 0 AEAERN Cc1cc2c(cc1O)[C@H](C)CO2 38949233 168788951 /nfs/dbraw/zinc/78/89/51/168788951.db2.gz YIVAIOVEFFVVGE-SSDOTTSWSA-N 0 0 164.204 2.197 10 0 AEAERN Cc1cc2c(ncn2C)c2cccnc12 95922450 168789084 /nfs/dbraw/zinc/78/90/84/168789084.db2.gz IRPYPVYJSMKJQI-UHFFFAOYSA-N 0 0 197.241 2.430 10 0 AEAERN Cc1cc2cccc(C)c2[nH]c1=NN 11995131 168789628 /nfs/dbraw/zinc/78/96/28/168789628.db2.gz JMDAGULRQWESGW-UHFFFAOYSA-N 0 0 187.246 2.137 10 0 AEAERN Cc1cc2ccccc2n1C#N 39095518 168789839 /nfs/dbraw/zinc/78/98/39/168789839.db2.gz XIHUHWDRENBYOP-UHFFFAOYSA-N 0 0 156.188 2.279 10 0 AEAERN Cc1cc2ccccc2n1C[C@H](C)O 34627911 168789842 /nfs/dbraw/zinc/78/98/42/168789842.db2.gz OFMKRQDIPVYFPD-JTQLQIEISA-N 0 0 189.258 2.331 10 0 AEAERN Cc1cc2cccc(CCO)c2[nH]1 44380160 168789940 /nfs/dbraw/zinc/78/99/40/168789940.db2.gz VVTYLLHVTNWKMM-UHFFFAOYSA-N 0 0 175.231 2.011 10 0 AEAERN Cc1cc2cccnc2nc1C 39208436 168790606 /nfs/dbraw/zinc/79/06/06/168790606.db2.gz XIOARIKOXRLBHU-UHFFFAOYSA-N 0 0 158.204 2.247 10 0 AEAERN Cc1cc2ccoc2nc1C 45787069 168790676 /nfs/dbraw/zinc/79/06/76/168790676.db2.gz ZVZFEJIVZQSMCZ-UHFFFAOYSA-N 0 0 147.177 2.445 10 0 AEAERN Cc1cc2nc(C)c(C)nc2cc1N 39115263 168790723 /nfs/dbraw/zinc/79/07/23/168790723.db2.gz ZUFXYUWDSJPBEF-UHFFFAOYSA-N 0 0 187.246 2.137 10 0 AEAERN Cc1cc2nc3ccccc3nc2[nH]1 39114438 168791040 /nfs/dbraw/zinc/79/10/40/168791040.db2.gz GRIFLAVGUXUUAD-UHFFFAOYSA-N 0 0 183.214 2.420 10 0 AEAERN Cc1cc2ncc(C(C)C)cn2n1 39104850 168791114 /nfs/dbraw/zinc/79/11/14/168791114.db2.gz JZHBVQBACTXXCN-UHFFFAOYSA-N 0 0 175.235 2.161 10 0 AEAERN Cc1cc2nc(CN)oc2cc1Cl 62522171 168791387 /nfs/dbraw/zinc/79/13/87/168791387.db2.gz POEJLPVTORYZED-UHFFFAOYSA-N 0 0 196.637 2.248 10 0 AEAERN Cc1cc2ncc(F)nc2cc1C 39134269 168791518 /nfs/dbraw/zinc/79/15/18/168791518.db2.gz MXFVKSISUXSNLM-UHFFFAOYSA-N 0 0 176.194 2.386 10 0 AEAERN Cc1cc2occc(=O)c2cc1C 84767013 168791926 /nfs/dbraw/zinc/79/19/26/168791926.db2.gz YKUXAETVDRENIA-UHFFFAOYSA-N 0 0 174.199 2.410 10 0 AEAERN Cc1cc2scnc2c(N)c1C 39277822 168792580 /nfs/dbraw/zinc/79/25/80/168792580.db2.gz SUAACKZSOONYSM-UHFFFAOYSA-N 0 0 178.260 2.495 10 0 AEAERN Cc1ccc(-c2ccc(C=O)cn2)nc1 205026658 168792767 /nfs/dbraw/zinc/79/27/67/168792767.db2.gz HDXZHJHCRBMRQH-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN Cc1ccc(-c2ccc(N)nc2)nc1 75878136 168793068 /nfs/dbraw/zinc/79/30/68/168793068.db2.gz BZKZCWZHFZFNNZ-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1ccc(-c2ccccc2O)nn1 75577147 168793334 /nfs/dbraw/zinc/79/33/34/168793334.db2.gz AWTFTKIAPWQQPQ-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1ccc(-c2ccc(N)nn2)c(C)c1 41209893 168793408 /nfs/dbraw/zinc/79/34/08/168793408.db2.gz UUGQSUIPNKAAAE-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1ccc(-c2cc(N)on2)s1 3715907 168793884 /nfs/dbraw/zinc/79/38/84/168793884.db2.gz GYANVOWXBCWRGN-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN Cc1ccc(-c2ccc(C=O)o2)nc1 90669263 168793892 /nfs/dbraw/zinc/79/38/92/168793892.db2.gz UZFXCPRASBZEMY-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN Cc1ccc(-c2ccc(N)nn2)s1 50867770 168793933 /nfs/dbraw/zinc/79/39/33/168793933.db2.gz NXLLZBLJYDLBEZ-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1ccc(-c2cnc(N)nc2)c(C)c1 71507897 168794303 /nfs/dbraw/zinc/79/43/03/168794303.db2.gz SCBQCSOTURBMQI-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1ccc(-c2cncc(C=O)c2)cn1 82384586 168794390 /nfs/dbraw/zinc/79/43/90/168794390.db2.gz YHRVXCRGABSQBB-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN Cc1ccc(-c2csc(=O)[nH]2)s1 34669981 168794590 /nfs/dbraw/zinc/79/45/90/168794590.db2.gz VGLIQZJCKMOWTP-UHFFFAOYSA-N 0 0 197.284 2.473 10 0 AEAERN Cc1ccc(-c2ncc(C=O)o2)cc1 40542720 168794681 /nfs/dbraw/zinc/79/46/81/168794681.db2.gz FINXUXOUJZWBJH-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN Cc1ccc(-c2ncc(N)cn2)cc1C 37169404 168794748 /nfs/dbraw/zinc/79/47/48/168794748.db2.gz ZEDUCRYFHMCQIN-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1ccc(-c2cncc(N)n2)cc1 44120023 168794842 /nfs/dbraw/zinc/79/48/42/168794842.db2.gz KHBHZVFKMNIHKS-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1ccc(-c2n[nH]c(C3CC3)n2)o1 41057575 168795005 /nfs/dbraw/zinc/79/50/05/168795005.db2.gz WWTWZRGCRNNQBL-UHFFFAOYSA-N 0 0 189.218 2.251 10 0 AEAERN Cc1ccc(-c2ncco2)c(N)c1 114994520 168795066 /nfs/dbraw/zinc/79/50/66/168795066.db2.gz WLWOLFIKXRFLBF-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1ccc(-c2nccnc2N)cc1 75576913 168795116 /nfs/dbraw/zinc/79/51/16/168795116.db2.gz MPCBZFNFTCFXQH-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1ccc(C2N=NC(=S)O2)s1 34964290 168795132 /nfs/dbraw/zinc/79/51/32/168795132.db2.gz WRRJXWBJOYAEKD-UHFFFAOYSA-N 0 0 198.272 2.395 10 0 AEAERN Cc1ccc(-c2ncc(O)cn2)cc1 72192046 168795165 /nfs/dbraw/zinc/79/51/65/168795165.db2.gz KTNNVZUFKHLKDH-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1ccc(-c2ccncc2)cn1 47214314 168795207 /nfs/dbraw/zinc/79/52/07/168795207.db2.gz GBNZVSHZRGVRFI-UHFFFAOYSA-N 0 0 170.215 2.452 10 0 AEAERN Cc1ccc(-c2noc(Cl)n2)o1 37926864 168795496 /nfs/dbraw/zinc/79/54/96/168795496.db2.gz VEPDREIPWLTEDV-UHFFFAOYSA-N 0 0 184.582 2.291 10 0 AEAERN Cc1ccc(-c2nccc(N)n2)c(C)c1 50867244 168795595 /nfs/dbraw/zinc/79/55/95/168795595.db2.gz ISAZXWCSQGHMQK-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1ccc(-c2coc(N)n2)s1 50266314 168795632 /nfs/dbraw/zinc/79/56/32/168795632.db2.gz PQHALWWTEMHLPE-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN Cc1ccc(-c2ncccc2O)cn1 38234687 168795769 /nfs/dbraw/zinc/79/57/69/168795769.db2.gz ROYWTXRXEUPCNO-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1ccc(-c2nocc2C=O)cc1 75420887 168796108 /nfs/dbraw/zinc/79/61/08/168796108.db2.gz JLTPIWYAOYXKSL-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN Cc1ccc(/C=C/[C@H](C)O)cc1 39192008 168796155 /nfs/dbraw/zinc/79/61/55/168796155.db2.gz FQBWGGNZOFDJAD-YVFTVSHDSA-N 0 0 162.232 2.389 10 0 AEAERN Cc1ccc(/C=C/[C@@H](C)O)cc1 39192006 168796234 /nfs/dbraw/zinc/79/62/34/168796234.db2.gz FQBWGGNZOFDJAD-VHODGJRUSA-N 0 0 162.232 2.389 10 0 AEAERN Cc1ccc(/C=C\C(=O)NC(C)C)o1 35263363 168796436 /nfs/dbraw/zinc/79/64/36/168796436.db2.gz SVKBUWNBRWYFEW-SREVYHEPSA-N 0 0 193.246 2.126 10 0 AEAERN Cc1ccc(-n2nccc2N)c(C)c1 37295395 168796582 /nfs/dbraw/zinc/79/65/82/168796582.db2.gz DYLUVOYVERCKNR-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN Cc1ccc(-n2ccnc2C)cc1N 39292737 168796660 /nfs/dbraw/zinc/79/66/60/168796660.db2.gz XUUHHUAOQCPPLW-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN Cc1ccc(-c2nsc(=O)o2)cc1 75261023 168796777 /nfs/dbraw/zinc/79/67/77/168796777.db2.gz WOZGLOBHSTVGAC-UHFFFAOYSA-N 0 0 193.227 2.072 10 0 AEAERN Cc1ccc(-n2cccn2)c(C)c1 35728250 168796983 /nfs/dbraw/zinc/79/69/83/168796983.db2.gz GYHYBDUWSGFKNR-UHFFFAOYSA-N 0 0 172.231 2.489 10 0 AEAERN Cc1ccc(-n2sccc2=O)cc1 36381248 168797016 /nfs/dbraw/zinc/79/70/16/168797016.db2.gz WBOQFARZZAEKJV-UHFFFAOYSA-N 0 0 191.255 2.207 10 0 AEAERN Cc1ccc(-n2cc(C)cn2)cc1 37676753 168797134 /nfs/dbraw/zinc/79/71/34/168797134.db2.gz RXSUGVADZPJGSK-UHFFFAOYSA-N 0 0 172.231 2.489 10 0 AEAERN Cc1ccc(-n2ccc(N)n2)c(C)c1 54404767 168797355 /nfs/dbraw/zinc/79/73/55/168797355.db2.gz UVQYVGKDNCBCGT-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN Cc1ccc(=O)ccc1Cl 39593658 168797795 /nfs/dbraw/zinc/79/77/95/168797795.db2.gz FAQLZMSZAMJMMW-UHFFFAOYSA-N 0 0 154.596 2.009 10 0 AEAERN Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]2C)o1 336509676 168798587 /nfs/dbraw/zinc/79/85/87/168798587.db2.gz GAVCDWOIPDMEJG-APPZFPTMSA-N 0 0 193.246 2.068 10 0 AEAERN Cc1ccc(C(=O)C(C)C)nc1 75854573 168798624 /nfs/dbraw/zinc/79/86/24/168798624.db2.gz RLFFYMYANCQYNP-UHFFFAOYSA-N 0 0 163.220 2.229 10 0 AEAERN Cc1ccc(C(=O)C(C)C)cc1N 32006977 168798702 /nfs/dbraw/zinc/79/87/02/168798702.db2.gz RFKPXNVCOVQDMQ-UHFFFAOYSA-N 0 0 177.247 2.416 10 0 AEAERN Cc1ccc(C(=O)CN(C)C)cc1C 34989551 168798726 /nfs/dbraw/zinc/79/87/26/168798726.db2.gz AYSNKAMDSKXBDG-UHFFFAOYSA-N 0 0 191.274 2.048 10 0 AEAERN Cc1ccc(C(=O)N2C[C@@H](C)[C@H]2C)o1 336509679 168798929 /nfs/dbraw/zinc/79/89/29/168798929.db2.gz GAVCDWOIPDMEJG-VXNVDRBHSA-N 0 0 193.246 2.068 10 0 AEAERN Cc1ccc(C(=O)C(F)F)o1 39125658 168799540 /nfs/dbraw/zinc/79/95/40/168799540.db2.gz SQWIHVLPFFJZGA-UHFFFAOYSA-N 0 0 160.119 2.036 10 0 AEAERN Cc1ccc(C(=O)N[C@@H]2C[C@H]2C)cc1 335913619 168800684 /nfs/dbraw/zinc/80/06/84/168800684.db2.gz HLTWEMWQAIRIJT-MWLCHTKSSA-N 0 0 189.258 2.133 10 0 AEAERN Cc1ccc(C(=O)N[C@@H]2CC[C@H]2C)o1 334516585 168800866 /nfs/dbraw/zinc/80/08/66/168800866.db2.gz QTRCTDDNPKHQOM-VXNVDRBHSA-N 0 0 193.246 2.116 10 0 AEAERN Cc1ccc(C(=O)N[C@H]2CC[C@@H]2C)o1 334516583 168801211 /nfs/dbraw/zinc/80/12/11/168801211.db2.gz QTRCTDDNPKHQOM-CBAPKCEASA-N 0 0 193.246 2.116 10 0 AEAERN Cc1ccc(C(=O)N[C@H]2C[C@@H]2C)s1 307419676 168801367 /nfs/dbraw/zinc/80/13/67/168801367.db2.gz LUJNXSITNALWLX-XPUUQOCRSA-N 0 0 195.287 2.195 10 0 AEAERN Cc1ccc(C(=O)[C@@H]2CCOC2)s1 40941735 168801621 /nfs/dbraw/zinc/80/16/21/168801621.db2.gz BJXOSQQHXGYTOR-MRVPVSSYSA-N 0 0 196.271 2.276 10 0 AEAERN Cc1ccc(C(=O)c2cncnc2)cc1 45028809 168801878 /nfs/dbraw/zinc/80/18/78/168801878.db2.gz CAENIEJLGBEBAK-UHFFFAOYSA-N 0 0 198.225 2.016 10 0 AEAERN Cc1ccc(C(C)C)c(OCCO)c1 6070639 168801915 /nfs/dbraw/zinc/80/19/15/168801915.db2.gz CLSSBPVJCYTWNL-UHFFFAOYSA-N 0 0 194.274 2.490 10 0 AEAERN Cc1ccc(C(=O)[C@@H]2CCCO2)cc1 34976816 168802066 /nfs/dbraw/zinc/80/20/66/168802066.db2.gz KENDUKJKCDKOSA-NSHDSACASA-N 0 0 190.242 2.357 10 0 AEAERN Cc1ccc(C(C)C)cc1CC(N)=O 82588489 168802690 /nfs/dbraw/zinc/80/26/90/168802690.db2.gz SLQXHKXEMJRANK-UHFFFAOYSA-N 0 0 191.274 2.146 10 0 AEAERN Cc1ccc(C(=O)[C@H]2C[C@@H]2C)o1 43609095 168802812 /nfs/dbraw/zinc/80/28/12/168802812.db2.gz IBMIWGHWTILLQZ-XPUUQOCRSA-N 0 0 164.204 2.427 10 0 AEAERN Cc1ccc(C(=O)[C@H]2CCCO2)cc1 34976817 168802972 /nfs/dbraw/zinc/80/29/72/168802972.db2.gz KENDUKJKCDKOSA-LLVKDONJSA-N 0 0 190.242 2.357 10 0 AEAERN Cc1ccc(C(=O)c2ccccn2)o1 15780079 168803023 /nfs/dbraw/zinc/80/30/23/168803023.db2.gz VGGGLUVXOCTBDJ-UHFFFAOYSA-N 0 0 187.198 2.214 10 0 AEAERN Cc1ccc(C(C)C)cc1C(=O)CN 82588494 168803032 /nfs/dbraw/zinc/80/30/32/168803032.db2.gz NSNQXKHTIAFVMP-UHFFFAOYSA-N 0 0 191.274 2.260 10 0 AEAERN Cc1ccc(C(=O)c2ccoc2)o1 43608965 168803136 /nfs/dbraw/zinc/80/31/36/168803136.db2.gz SLJDXZHTCWCDRE-UHFFFAOYSA-N 0 0 176.171 2.412 10 0 AEAERN Cc1ccc(C(C)C)cc1[C@@H](O)CO 83262476 168803144 /nfs/dbraw/zinc/80/31/44/168803144.db2.gz OVQLENYHMIJDJC-LBPRGKRZSA-N 0 0 194.274 2.144 10 0 AEAERN Cc1ccc(C)c(-c2c[nH]nc2N)c1 49806186 168803480 /nfs/dbraw/zinc/80/34/80/168803480.db2.gz VHQDCEHEHGACHJ-UHFFFAOYSA-N 0 0 187.246 2.276 10 0 AEAERN Cc1ccc(C)c(-n2nccc2N)c1 37245405 168803965 /nfs/dbraw/zinc/80/39/65/168803965.db2.gz NYZZBTXNVAMVGD-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN Cc1ccc(C)c(N2CCC(=O)C2)c1 37239792 168804146 /nfs/dbraw/zinc/80/41/46/168804146.db2.gz WWAJVAQLZZOLPK-UHFFFAOYSA-N 0 0 189.258 2.083 10 0 AEAERN Cc1ccc(C)c(C(=O)CF)c1 39054806 168804313 /nfs/dbraw/zinc/80/43/13/168804313.db2.gz UGGTXIZZCBREAZ-UHFFFAOYSA-N 0 0 166.195 2.456 10 0 AEAERN Cc1ccc(C)c(-c2[nH]cnc2N)c1 105866256 168804319 /nfs/dbraw/zinc/80/43/19/168804319.db2.gz NLVVCGYAOLPIJJ-UHFFFAOYSA-N 0 0 187.246 2.276 10 0 AEAERN Cc1ccc(C)c(-c2ncc(N)cn2)c1 49670002 168804608 /nfs/dbraw/zinc/80/46/08/168804608.db2.gz SJJOBQPGLQEHQO-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1ccc(C)c([C@@H]2CCC(=O)N2)c1 57936646 168804905 /nfs/dbraw/zinc/80/49/05/168804905.db2.gz PNKNYINTQSKJIN-NSHDSACASA-N 0 0 189.258 2.255 10 0 AEAERN Cc1ccc(C)c(O[C@H](C)CO)c1C 41206812 168805227 /nfs/dbraw/zinc/80/52/27/168805227.db2.gz HMSMRWAQRHWTBX-SNVBAGLBSA-N 0 0 194.274 2.371 10 0 AEAERN Cc1ccc(C)c(OC[C@@H](C)CO)c1 41206789 168805313 /nfs/dbraw/zinc/80/53/13/168805313.db2.gz RUTIITVSGKLDAG-JTQLQIEISA-N 0 0 194.274 2.311 10 0 AEAERN Cc1ccc(C)c(O[C@@H](C)CO)c1C 41206811 168805371 /nfs/dbraw/zinc/80/53/71/168805371.db2.gz HMSMRWAQRHWTBX-JTQLQIEISA-N 0 0 194.274 2.371 10 0 AEAERN Cc1ccc(C)c([C@H](C)ON)c1 19728749 168805386 /nfs/dbraw/zinc/80/53/86/168805386.db2.gz YOHJJIKWLGAQKP-VIFPVBQESA-N 0 0 165.236 2.255 10 0 AEAERN Cc1ccc(C)c(NC2COC2)c1 76602297 168805396 /nfs/dbraw/zinc/80/53/96/168805396.db2.gz PPWGFKFOXBDCMC-UHFFFAOYSA-N 0 0 177.247 2.114 10 0 AEAERN Cc1ccc(C)c(OCC(C)(C)O)c1 37695503 168806021 /nfs/dbraw/zinc/80/60/21/168806021.db2.gz CHAVZSVHAPOGJN-UHFFFAOYSA-N 0 0 194.274 2.453 10 0 AEAERN Cc1ccc(C)c2c1NC(=O)CCO2 62521005 168806320 /nfs/dbraw/zinc/80/63/20/168806320.db2.gz ZVWTVLBBGYVRHK-UHFFFAOYSA-N 0 0 191.230 2.024 10 0 AEAERN Cc1ccc(C)c2c1C[C@H](C)C(=O)N2 49806445 168806393 /nfs/dbraw/zinc/80/63/93/168806393.db2.gz ZBKGCMGSEMUPCQ-VIFPVBQESA-N 0 0 189.258 2.434 10 0 AEAERN Cc1ccc(C)c2c1NC[C@@H](C)O2 62519763 168806884 /nfs/dbraw/zinc/80/68/84/168806884.db2.gz FZFLHKGRPMVXMK-SECBINFHSA-N 0 0 177.247 2.496 10 0 AEAERN Cc1ccc(C)c2c1NCCC2=O 71481813 168807609 /nfs/dbraw/zinc/80/76/09/168807609.db2.gz JRWOONNHQXMYGA-UHFFFAOYSA-N 0 0 175.231 2.302 10 0 AEAERN Cc1ccc(C2=CCC(=O)O2)cc1 1695946 168808485 /nfs/dbraw/zinc/80/84/85/168808485.db2.gz BYDHKSLQSNULBL-UHFFFAOYSA-N 0 0 174.199 2.283 10 0 AEAERN Cc1ccc(C=O)c(F)c1C 39062242 168808609 /nfs/dbraw/zinc/80/86/09/168808609.db2.gz QMKVFIGNFHWOKU-UHFFFAOYSA-N 0 0 152.168 2.255 10 0 AEAERN Cc1ccc(C2=CCOC2)cc1 34808760 168809079 /nfs/dbraw/zinc/80/90/79/168809079.db2.gz SGCSZOLDRJSPQO-UHFFFAOYSA-N 0 0 160.216 2.409 10 0 AEAERN Cc1ccc(C=O)cc1OC1CC1 95741407 168809695 /nfs/dbraw/zinc/80/96/95/168809695.db2.gz QWDAMHOHQDGDRR-UHFFFAOYSA-N 0 0 176.215 2.349 10 0 AEAERN Cc1ccc(CCCO)c(C)c1 34515072 168809743 /nfs/dbraw/zinc/80/97/43/168809743.db2.gz HFIRQLQQPJWFGZ-UHFFFAOYSA-N 0 0 164.248 2.228 10 0 AEAERN Cc1ccc(CCCO)c(F)c1 44396044 168810261 /nfs/dbraw/zinc/81/02/61/168810261.db2.gz UCVYJGYRTVDMCQ-UHFFFAOYSA-N 0 0 168.211 2.059 10 0 AEAERN Cc1ccc(C[C@@H](C)CO)cc1 34119897 168815903 /nfs/dbraw/zinc/81/59/03/168815903.db2.gz TUKWBYNFHMOXCG-SNVBAGLBSA-N 0 0 164.248 2.166 10 0 AEAERN Cc1ccc(C[C@H](C)CO)cc1 34119898 168816962 /nfs/dbraw/zinc/81/69/62/168816962.db2.gz TUKWBYNFHMOXCG-JTQLQIEISA-N 0 0 164.248 2.166 10 0 AEAERN Cc1ccc(Cc2conc2N)cc1 19785802 168817135 /nfs/dbraw/zinc/81/71/35/168817135.db2.gz OUMIOCIZBMXHOD-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN Cc1ccc(Cl)c(C(N)=S)c1 83341120 168817166 /nfs/dbraw/zinc/81/71/66/168817166.db2.gz YHQDYZOHIBCNSA-UHFFFAOYSA-N 0 0 185.679 2.283 10 0 AEAERN Cc1ccc(Cc2cnco2)cc1N 83254690 168817180 /nfs/dbraw/zinc/81/71/80/168817180.db2.gz CPRQKNLOFCMNLA-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN Cc1ccc(Cl)c(NCCO)c1C 307703209 168817445 /nfs/dbraw/zinc/81/74/45/168817445.db2.gz VGIMDCZIEZFQLA-UHFFFAOYSA-N 0 0 199.681 2.361 10 0 AEAERN Cc1ccc(Cc2cc(N)on2)cc1 41204134 168817747 /nfs/dbraw/zinc/81/77/47/168817747.db2.gz IWKVCVQBZCRDQZ-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN Cc1ccc(F)c(C2OCCO2)c1 44229829 168819044 /nfs/dbraw/zinc/81/90/44/168819044.db2.gz LWEPPXVVIKMRLQ-UHFFFAOYSA-N 0 0 182.194 2.180 10 0 AEAERN Cc1ccc(F)c2[nH]cc(C=O)c12 59731159 168819066 /nfs/dbraw/zinc/81/90/66/168819066.db2.gz QNMBLLUJZVXGIY-UHFFFAOYSA-N 0 0 177.178 2.428 10 0 AEAERN Cc1ccc(Cl)cc1NC[C@@H](C)O 32009849 168819385 /nfs/dbraw/zinc/81/93/85/168819385.db2.gz LIHQLNMPGVHSNF-MRVPVSSYSA-N 0 0 199.681 2.441 10 0 AEAERN Cc1ccc(Cl)cc1NCCCO 48694547 168819630 /nfs/dbraw/zinc/81/96/30/168819630.db2.gz VQLQRXCCEZFPST-UHFFFAOYSA-N 0 0 199.681 2.443 10 0 AEAERN Cc1ccc(F)c(NCCCCO)c1 43445421 168819678 /nfs/dbraw/zinc/81/96/78/168819678.db2.gz LFWDDXNFFCKXNG-UHFFFAOYSA-N 0 0 197.253 2.319 10 0 AEAERN Cc1ccc(N(C)C2CC2)c(N)c1 37080586 168820368 /nfs/dbraw/zinc/82/03/68/168820368.db2.gz POOPLCKHYDMOIB-UHFFFAOYSA-N 0 0 176.263 2.176 10 0 AEAERN Cc1ccc(F)c2c1O[C@H](C)CC2=O 75882220 168820563 /nfs/dbraw/zinc/82/05/63/168820563.db2.gz SGBBICGRBNZNGH-SSDOTTSWSA-N 0 0 194.205 2.488 10 0 AEAERN Cc1ccc(N(C)C2CC2)cc1N 61701140 168820593 /nfs/dbraw/zinc/82/05/93/168820593.db2.gz KTPQKVSTCZSXSJ-UHFFFAOYSA-N 0 0 176.263 2.176 10 0 AEAERN Cc1ccc(F)c2nc(N)sc12 11920255 168820851 /nfs/dbraw/zinc/82/08/51/168820851.db2.gz JOQMAUVWIBWRHL-UHFFFAOYSA-N 0 0 182.223 2.326 10 0 AEAERN Cc1ccc(N)cc1OC1CC1 95737246 168821761 /nfs/dbraw/zinc/82/17/61/168821761.db2.gz KKTKPLBXCZJJKJ-UHFFFAOYSA-N 0 0 163.220 2.118 10 0 AEAERN Cc1ccc(N)c2cc[nH]c12 72319681 168822235 /nfs/dbraw/zinc/82/22/35/168822235.db2.gz JDQNDHBUAHUCOC-UHFFFAOYSA-N 0 0 146.193 2.059 10 0 AEAERN Cc1ccc(N)cc1N1CC[C@@H](C)C1 53735172 168822504 /nfs/dbraw/zinc/82/25/04/168822504.db2.gz BSHXMBJWIZZRBF-SECBINFHSA-N 0 0 190.290 2.423 10 0 AEAERN Cc1ccc(N)c(-c2ncco2)c1 82529308 168822685 /nfs/dbraw/zinc/82/26/85/168822685.db2.gz QIROFPPPDAOMQX-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1ccc(N)cc1N(C)C1CC1 53734844 168822920 /nfs/dbraw/zinc/82/29/20/168822920.db2.gz KFXMPYCSPPGUBE-UHFFFAOYSA-N 0 0 176.263 2.176 10 0 AEAERN Cc1ccc(NC(=O)C2=CCC2)nc1 334447074 168824114 /nfs/dbraw/zinc/82/41/14/168824114.db2.gz HRARAKNDKNYLPA-UHFFFAOYSA-N 0 0 188.230 2.049 10 0 AEAERN Cc1ccc(N2CC[C@H](C)C2)c(N)c1 40717674 168824480 /nfs/dbraw/zinc/82/44/80/168824480.db2.gz WFQYHHVDPDBWHR-JTQLQIEISA-N 0 0 190.290 2.423 10 0 AEAERN Cc1ccc(NC[C@H](C)O)cc1Cl 32009857 168825286 /nfs/dbraw/zinc/82/52/86/168825286.db2.gz ZBZRKRRERISZSO-QMMMGPOBSA-N 0 0 199.681 2.441 10 0 AEAERN Cc1ccc(NCCCCO)c(F)c1 43445417 168825636 /nfs/dbraw/zinc/82/56/36/168825636.db2.gz VSKGAQMIJIAAOC-UHFFFAOYSA-N 0 0 197.253 2.319 10 0 AEAERN Cc1ccc(NC(C)C)cc1N 61700791 168825710 /nfs/dbraw/zinc/82/57/10/168825710.db2.gz VLMBOWCEKYEVKO-UHFFFAOYSA-N 0 0 164.252 2.398 10 0 AEAERN Cc1ccc(NC(C)(C)CO)cc1 38112235 168825920 /nfs/dbraw/zinc/82/59/20/168825920.db2.gz HCMGOFHCMIMOLC-UHFFFAOYSA-N 0 0 179.263 2.178 10 0 AEAERN Cc1ccc(NC(C)(C)CO)cc1C 82712735 168826356 /nfs/dbraw/zinc/82/63/56/168826356.db2.gz DXTNJVCIJDERRO-UHFFFAOYSA-N 0 0 193.290 2.486 10 0 AEAERN Cc1ccc(O)c(CCC(C)(C)O)c1 75596854 168826860 /nfs/dbraw/zinc/82/68/60/168826860.db2.gz YVEZQIYTWJWBBA-UHFFFAOYSA-N 0 0 194.274 2.404 10 0 AEAERN Cc1ccc(N[C@@H](C)C(C)C)nn1 41045069 168826940 /nfs/dbraw/zinc/82/69/40/168826940.db2.gz VNEQYKMJKLJJGV-VIFPVBQESA-N 0 0 179.267 2.241 10 0 AEAERN Cc1ccc(N[C@H]2C[C@@H]2C)cc1N 61701989 168827005 /nfs/dbraw/zinc/82/70/05/168827005.db2.gz HHNZDDKDAIITAB-KWQFWETISA-N 0 0 176.263 2.398 10 0 AEAERN Cc1ccc(NCc2cncnc2)cc1 54767002 168827092 /nfs/dbraw/zinc/82/70/92/168827092.db2.gz QTWFYBDKKGMWFO-UHFFFAOYSA-N 0 0 199.257 2.397 10 0 AEAERN Cc1ccc(N[C@H](C)C(C)C)nn1 41045070 168827421 /nfs/dbraw/zinc/82/74/21/168827421.db2.gz VNEQYKMJKLJJGV-SECBINFHSA-N 0 0 179.267 2.241 10 0 AEAERN Cc1ccc(N[C@@H]2C[C@H]2C)cc1N 61701990 168827624 /nfs/dbraw/zinc/82/76/24/168827624.db2.gz HHNZDDKDAIITAB-LDYMZIIASA-N 0 0 176.263 2.398 10 0 AEAERN Cc1ccc(N[C@@H]2C[C@@H]2C)c(N)c1 52273857 168827798 /nfs/dbraw/zinc/82/77/98/168827798.db2.gz YGCMARPCWXRYFI-GZMMTYOYSA-N 0 0 176.263 2.398 10 0 AEAERN Cc1ccc(NO)c(C)c1 1576602 168828079 /nfs/dbraw/zinc/82/80/79/168828079.db2.gz QZPMVUPJPUUDJJ-UHFFFAOYSA-N 0 0 137.182 2.105 10 0 AEAERN Cc1ccc(N[C@H]2C[C@@H]2C)c(N)c1 52273859 168828099 /nfs/dbraw/zinc/82/80/99/168828099.db2.gz YGCMARPCWXRYFI-KWQFWETISA-N 0 0 176.263 2.398 10 0 AEAERN Cc1ccc(N[C@H]2C[C@H]2C)cc1N 61701991 168828419 /nfs/dbraw/zinc/82/84/19/168828419.db2.gz HHNZDDKDAIITAB-KCJUWKMLSA-N 0 0 176.263 2.398 10 0 AEAERN Cc1ccc(NO)cc1Cl 39133614 168828471 /nfs/dbraw/zinc/82/84/71/168828471.db2.gz RDLNRTRAUMNAFC-UHFFFAOYSA-N 0 0 157.600 2.450 10 0 AEAERN Cc1ccc(O)c2c1[C@H](C)C[C@H]2O 20030867 168828917 /nfs/dbraw/zinc/82/89/17/168828917.db2.gz HWSZCIIOAUSBHT-VXNVDRBHSA-N 0 0 178.231 2.241 10 0 AEAERN Cc1ccc(OC(C)(C)CO)c(C)c1 41206791 168829201 /nfs/dbraw/zinc/82/92/01/168829201.db2.gz DDDXODMLZODXBW-UHFFFAOYSA-N 0 0 194.274 2.453 10 0 AEAERN Cc1ccc(OC2CC2)c(C=O)c1 95738295 168829277 /nfs/dbraw/zinc/82/92/77/168829277.db2.gz ADOHHPVWMXGQKQ-UHFFFAOYSA-N 0 0 176.215 2.349 10 0 AEAERN Cc1ccc(OC2CC2)c(C)n1 95725421 168829291 /nfs/dbraw/zinc/82/92/91/168829291.db2.gz KQFRFXBACHAOAD-UHFFFAOYSA-N 0 0 163.220 2.240 10 0 AEAERN Cc1ccc(O)c2c1[C@@H](C)C[C@@]2(C)O 75580862 168829577 /nfs/dbraw/zinc/82/95/77/168829577.db2.gz DRNKJSKUJLIMAN-QPUJVOFHSA-N 0 0 192.258 2.415 10 0 AEAERN Cc1ccc(O)c2c1CCCC2=O 4200502 168829659 /nfs/dbraw/zinc/82/96/59/168829659.db2.gz PLSQFVRUKCGMCE-UHFFFAOYSA-N 0 0 176.215 2.220 10 0 AEAERN Cc1ccc(OC(C)(C)CO)cc1 41201335 168829862 /nfs/dbraw/zinc/82/98/62/168829862.db2.gz XZZWKFLTFIIKCI-UHFFFAOYSA-N 0 0 180.247 2.145 10 0 AEAERN Cc1ccc(O)c2c1[C@@H](C)C[C@]2(C)O 75580864 168829880 /nfs/dbraw/zinc/82/98/80/168829880.db2.gz DRNKJSKUJLIMAN-UFBFGSQYSA-N 0 0 192.258 2.415 10 0 AEAERN Cc1ccc(O[C@@H](C)[C@@H](C)O)c(C)c1 44194721 168831033 /nfs/dbraw/zinc/83/10/33/168831033.db2.gz ANPSOSWOWUMFKF-MNOVXSKESA-N 0 0 194.274 2.452 10 0 AEAERN Cc1ccc(O[C@@H](C)CO)c(C)c1 41201367 168831718 /nfs/dbraw/zinc/83/17/18/168831718.db2.gz YUUBWKOJXOAIMR-JTQLQIEISA-N 0 0 180.247 2.063 10 0 AEAERN Cc1ccc(OC[C@@H](C)CO)cc1C 41206809 168831893 /nfs/dbraw/zinc/83/18/93/168831893.db2.gz CLNLYUUWJDYSPI-VIFPVBQESA-N 0 0 194.274 2.311 10 0 AEAERN Cc1ccc(OCC2CC2)cc1O 95711014 168831896 /nfs/dbraw/zinc/83/18/96/168831896.db2.gz HNDSZKAQSSQLPU-UHFFFAOYSA-N 0 0 178.231 2.489 10 0 AEAERN Cc1ccc(O[C@@H](C)O)c(C)c1 4072069 168831977 /nfs/dbraw/zinc/83/19/77/168831977.db2.gz DPCNHKNXCOWUCA-VIFPVBQESA-N 0 0 166.220 2.021 10 0 AEAERN Cc1ccc(O[C@H](C)[C@@H](C)O)c(C)c1 44194723 168833027 /nfs/dbraw/zinc/83/30/27/168833027.db2.gz ANPSOSWOWUMFKF-GHMZBOCLSA-N 0 0 194.274 2.452 10 0 AEAERN Cc1ccc([C@@H](C)CO)c(C)c1 1696008 168833850 /nfs/dbraw/zinc/83/38/50/168833850.db2.gz SSJOENMGAGPEFF-JTQLQIEISA-N 0 0 164.248 2.399 10 0 AEAERN Cc1ccc([C@@H](C)ON)cc1C 19728746 168835974 /nfs/dbraw/zinc/83/59/74/168835974.db2.gz BZWLRXFTHSSMOS-SECBINFHSA-N 0 0 165.236 2.255 10 0 AEAERN Cc1ccc([C@@H]2CCOC2)cc1 71186761 168836631 /nfs/dbraw/zinc/83/66/31/168836631.db2.gz LHVUVASMPKLQOL-LLVKDONJSA-N 0 0 162.232 2.499 10 0 AEAERN Cc1ccc([C@@H](O)C2CC2)s1 40242141 168836966 /nfs/dbraw/zinc/83/69/66/168836966.db2.gz VSBBWLMAWGHAJN-VIFPVBQESA-N 0 0 168.261 2.500 10 0 AEAERN Cc1ccc([C@@H]2CNC(=O)O2)c(C)c1 75456623 168836990 /nfs/dbraw/zinc/83/69/90/168836990.db2.gz HSFBQIVCOYQJNY-JTQLQIEISA-N 0 0 191.230 2.084 10 0 AEAERN Cc1ccc([C@@H](O)c2nccs2)o1 39075104 168837273 /nfs/dbraw/zinc/83/72/73/168837273.db2.gz GZTHGDBYXDPCMS-MRVPVSSYSA-N 0 0 195.243 2.126 10 0 AEAERN Cc1ccc([C@@H]2CCOCO2)cc1 34320019 168837321 /nfs/dbraw/zinc/83/73/21/168837321.db2.gz UCICIPHKADFKON-NSHDSACASA-N 0 0 178.231 2.431 10 0 AEAERN Cc1ccc([C@@H]2CCCO2)cc1N 49805392 168837430 /nfs/dbraw/zinc/83/74/30/168837430.db2.gz CFEZBLMBKKJIJB-NSHDSACASA-N 0 0 177.247 2.429 10 0 AEAERN Cc1ccc([C@@H](O)[C@H]2CCCO2)s1 40242123 168837533 /nfs/dbraw/zinc/83/75/33/168837533.db2.gz QUALIAGTGLHQOI-SCZZXKLOSA-N 0 0 198.287 2.269 10 0 AEAERN Cc1ccc([C@@H](O)[C@@H]2CCCO2)s1 40242121 168837624 /nfs/dbraw/zinc/83/76/24/168837624.db2.gz QUALIAGTGLHQOI-WPRPVWTQSA-N 0 0 198.287 2.269 10 0 AEAERN Cc1ccc([C@@]2(C)CC[C@@H](O)O2)cc1 196150095 168839111 /nfs/dbraw/zinc/83/91/11/168839111.db2.gz YXNZVWHJIUPJQQ-NWDGAFQWSA-N 0 0 192.258 2.339 10 0 AEAERN Cc1ccc([C@H](C)CO)c(C)c1 2046649 168840158 /nfs/dbraw/zinc/84/01/58/168840158.db2.gz SSJOENMGAGPEFF-SNVBAGLBSA-N 0 0 164.248 2.399 10 0 AEAERN Cc1ccc([C@H](C)C(N)=S)cc1 83340457 168840254 /nfs/dbraw/zinc/84/02/54/168840254.db2.gz UALGPWXSIMPEBK-QMMMGPOBSA-N 0 0 179.288 2.385 10 0 AEAERN Cc1ccc([C@H](C)NO)s1 39038288 168840797 /nfs/dbraw/zinc/84/07/97/168840797.db2.gz BMTYMDKQZTUECP-LURJTMIESA-N 0 0 157.238 2.096 10 0 AEAERN Cc1ccc([C@H](C)NO)cc1C 19728781 168841243 /nfs/dbraw/zinc/84/12/43/168841243.db2.gz LFJYWPLDDVSOPO-VIFPVBQESA-N 0 0 165.236 2.343 10 0 AEAERN Cc1ccc([C@H](O)COC(C)C)cc1 44220343 168841937 /nfs/dbraw/zinc/84/19/37/168841937.db2.gz FHHPMTPOFHJXEC-GFCCVEGCSA-N 0 0 194.274 2.453 10 0 AEAERN Cc1ccc([C@H](O)c2cccnc2)cc1 37464788 168842862 /nfs/dbraw/zinc/84/28/62/168842862.db2.gz URXXOXSZRXUOIM-ZDUSSCGKSA-N 0 0 199.253 2.472 10 0 AEAERN Cc1ccc([C@H]2CNC(=O)O2)cc1C 75456226 168843498 /nfs/dbraw/zinc/84/34/98/168843498.db2.gz GKGPEPBZMGGSHG-SNVBAGLBSA-N 0 0 191.230 2.084 10 0 AEAERN Cc1ccc([C@H]2CCOCO2)cc1 34320020 168844161 /nfs/dbraw/zinc/84/41/61/168844161.db2.gz UCICIPHKADFKON-LLVKDONJSA-N 0 0 178.231 2.431 10 0 AEAERN Cc1ccc([C@H]2CNC(=O)O2)c(C)c1 75456625 168844599 /nfs/dbraw/zinc/84/45/99/168844599.db2.gz HSFBQIVCOYQJNY-SNVBAGLBSA-N 0 0 191.230 2.084 10 0 AEAERN Cc1ccc2c(C=O)nccc2c1 82768958 168846036 /nfs/dbraw/zinc/84/60/36/168846036.db2.gz CJULAKDGPLOPLQ-UHFFFAOYSA-N 0 0 171.199 2.356 10 0 AEAERN Cc1ccc2c(=O)c(C)c[nH]c2c1 71489935 168846324 /nfs/dbraw/zinc/84/63/24/168846324.db2.gz GQLLDDHRTKPAOT-UHFFFAOYSA-N 0 0 173.215 2.145 10 0 AEAERN Cc1ccc2c(CCCO)c[nH]c2c1 44396152 168846541 /nfs/dbraw/zinc/84/65/41/168846541.db2.gz HOVYJLBBFBWSOP-UHFFFAOYSA-N 0 0 189.258 2.401 10 0 AEAERN Cc1ccc2c(CCO)coc2c1 57348756 168846546 /nfs/dbraw/zinc/84/65/46/168846546.db2.gz UKBZYEQTQHQRBM-UHFFFAOYSA-N 0 0 176.215 2.276 10 0 AEAERN Cc1ccc2c(C)cc(=O)oc2c1O 39255009 168846598 /nfs/dbraw/zinc/84/65/98/168846598.db2.gz CKKORNGRGZYMOB-UHFFFAOYSA-N 0 0 190.198 2.115 10 0 AEAERN Cc1ccc2c(=O)c(C)c[nH]c2c1C 71489955 168846644 /nfs/dbraw/zinc/84/66/44/168846644.db2.gz AFLNFNMAPUPRBL-UHFFFAOYSA-N 0 0 187.242 2.453 10 0 AEAERN Cc1ccc2c(N)c[nH]c2c1C 82405282 168846954 /nfs/dbraw/zinc/84/69/54/168846954.db2.gz LEIMNYDQCYCING-UHFFFAOYSA-N 0 0 160.220 2.367 10 0 AEAERN Cc1ccc2c(c1)C(=O)C1(CC1)N2 82868019 168847652 /nfs/dbraw/zinc/84/76/52/168847652.db2.gz RMKMXPBTPLVULY-UHFFFAOYSA-N 0 0 173.215 2.136 10 0 AEAERN Cc1ccc2c(c1)C(=O)[C@H](C)CN2 71481835 168847681 /nfs/dbraw/zinc/84/76/81/168847681.db2.gz AXGJLDDLDPAGQE-MRVPVSSYSA-N 0 0 175.231 2.239 10 0 AEAERN Cc1ccc2c(c1)C(=O)[C@@H](C)CO2 35756785 168848320 /nfs/dbraw/zinc/84/83/20/168848320.db2.gz CLXPPTMQXUSHMA-QMMMGPOBSA-N 0 0 176.215 2.206 10 0 AEAERN Cc1ccc2c(c1)C(=O)[C@H](C)CO2 35756783 168848459 /nfs/dbraw/zinc/84/84/59/168848459.db2.gz CLXPPTMQXUSHMA-MRVPVSSYSA-N 0 0 176.215 2.206 10 0 AEAERN Cc1ccc2c(c1)CC(=O)CS2 38583434 168848495 /nfs/dbraw/zinc/84/84/95/168848495.db2.gz BRXCIUHLMILDFR-UHFFFAOYSA-N 0 0 178.256 2.212 10 0 AEAERN Cc1ccc2c(c1)C(=O)C(Cl)=N2 62719025 168848608 /nfs/dbraw/zinc/84/86/08/168848608.db2.gz RPTZMZWWPCIDLC-UHFFFAOYSA-N 0 0 179.606 2.460 10 0 AEAERN Cc1ccc2c(c1)C(=O)NCC2(C)C 58520875 168848612 /nfs/dbraw/zinc/84/86/12/168848612.db2.gz UFWLSQVFPWWKMN-UHFFFAOYSA-N 0 0 189.258 2.016 10 0 AEAERN Cc1ccc2c(c1)C(C)(C)C(=O)N2C 34753409 168848637 /nfs/dbraw/zinc/84/86/37/168848637.db2.gz UJIOACIWOHUNGM-UHFFFAOYSA-N 0 0 189.258 2.249 10 0 AEAERN Cc1ccc2c(c1)N=C(Cl)C2=O 62719028 168848718 /nfs/dbraw/zinc/84/87/18/168848718.db2.gz XBUZWCISBOMGPE-UHFFFAOYSA-N 0 0 179.606 2.460 10 0 AEAERN Cc1ccc2c(c1)C[C@H](O)C(C)(C)N2 38882744 168848780 /nfs/dbraw/zinc/84/87/80/168848780.db2.gz UQDXFCIBPPJYQT-NSHDSACASA-N 0 0 191.274 2.103 10 0 AEAERN Cc1ccc2c(c1)O[C@@H](C)N2 22002159 168849253 /nfs/dbraw/zinc/84/92/53/168849253.db2.gz CHCXJDDDHOJQIB-ZETCQYMHSA-N 0 0 149.193 2.145 10 0 AEAERN Cc1ccc2c(c1)NC(=O)C[C@@H](C)N2 83823422 168849345 /nfs/dbraw/zinc/84/93/45/168849345.db2.gz WZZRLXJDLRBVJC-MRVPVSSYSA-N 0 0 190.246 2.138 10 0 AEAERN Cc1ccc2c(c1)NC(=O)[C@@H]2C 82587574 168849480 /nfs/dbraw/zinc/84/94/80/168849480.db2.gz DRZSGVXOFOLESN-SSDOTTSWSA-N 0 0 161.204 2.051 10 0 AEAERN Cc1ccc2c(c1)O[C@H](C)N2 22002154 168849523 /nfs/dbraw/zinc/84/95/23/168849523.db2.gz CHCXJDDDHOJQIB-SSDOTTSWSA-N 0 0 149.193 2.145 10 0 AEAERN Cc1ccc2c(c1)NCCCN2 76594369 168850007 /nfs/dbraw/zinc/85/00/07/168850007.db2.gz DHFQGXDBVWHDAR-UHFFFAOYSA-N 0 0 162.236 2.223 10 0 AEAERN Cc1ccc2c(c1)NC(=O)[C@@H](C)C2 49805239 168850011 /nfs/dbraw/zinc/85/00/11/168850011.db2.gz UFSZYGZKEQUBOR-QMMMGPOBSA-N 0 0 175.231 2.126 10 0 AEAERN Cc1ccc2c(c1)[C@@H](O)C[C@H](C)N2 487645 168850015 /nfs/dbraw/zinc/85/00/15/168850015.db2.gz RBCNCWKJVVSJAY-KWQFWETISA-N 0 0 177.247 2.233 10 0 AEAERN Cc1ccc2c(c1)NC[C@H]1CCCN21 76633164 168850304 /nfs/dbraw/zinc/85/03/04/168850304.db2.gz CWDBZXIJRYRJPQ-SNVBAGLBSA-N 0 0 188.274 2.389 10 0 AEAERN Cc1ccc2c(c1C)NCCC2=O 71481811 168850912 /nfs/dbraw/zinc/85/09/12/168850912.db2.gz KUZLAADOOBVSKU-UHFFFAOYSA-N 0 0 175.231 2.302 10 0 AEAERN Cc1ccc2c(c1C)NC(=O)[C@H]2C 105901489 168851546 /nfs/dbraw/zinc/85/15/46/168851546.db2.gz ZYCMSKRGGIDXCN-QMMMGPOBSA-N 0 0 175.231 2.359 10 0 AEAERN Cc1ccc2c(c1C)CC[C@H]2O 43315386 168851962 /nfs/dbraw/zinc/85/19/62/168851962.db2.gz JHLZJJGRDSVOFR-LLVKDONJSA-N 0 0 162.232 2.283 10 0 AEAERN Cc1ccc2c(c1)[C@H](C)C(=O)N2 104350776 168852048 /nfs/dbraw/zinc/85/20/48/168852048.db2.gz WVJRDYUXHWAGED-ZETCQYMHSA-N 0 0 161.204 2.051 10 0 AEAERN Cc1ccc2c(c1C)NC(=O)[C@@H]2C 82587781 168852125 /nfs/dbraw/zinc/85/21/25/168852125.db2.gz ZYCMSKRGGIDXCN-MRVPVSSYSA-N 0 0 175.231 2.359 10 0 AEAERN Cc1ccc2c(c1C)CC[C@@H]2O 43315384 168852271 /nfs/dbraw/zinc/85/22/71/168852271.db2.gz JHLZJJGRDSVOFR-NSHDSACASA-N 0 0 162.232 2.283 10 0 AEAERN Cc1ccc2c(c1)[C@H](O)CC=N2 38580917 168852301 /nfs/dbraw/zinc/85/23/01/168852301.db2.gz UPCUVTPQNWADBZ-SNVBAGLBSA-N 0 0 161.204 2.134 10 0 AEAERN Cc1ccc2c(c1C)NCC[C@H]2O 71480112 168852350 /nfs/dbraw/zinc/85/23/50/168852350.db2.gz QARKUXAFNYPLSN-SNVBAGLBSA-N 0 0 177.247 2.152 10 0 AEAERN Cc1ccc2cc[nH]c2c1C=O 82405538 168852586 /nfs/dbraw/zinc/85/25/86/168852586.db2.gz CJBNCDMPQRLKQN-UHFFFAOYSA-N 0 0 159.188 2.289 10 0 AEAERN Cc1ccc2cc(CO)cc(F)c2n1 82778917 168852724 /nfs/dbraw/zinc/85/27/24/168852724.db2.gz IGDYDHHNAPEYQV-UHFFFAOYSA-N 0 0 191.205 2.175 10 0 AEAERN Cc1ccc2c(c1C)OC[C@@H](C)N2 62519807 168852778 /nfs/dbraw/zinc/85/27/78/168852778.db2.gz FEFMNCYUUAPODG-MRVPVSSYSA-N 0 0 177.247 2.496 10 0 AEAERN Cc1ccc2c(ccc3c2ncn3C)n1 38584728 168852921 /nfs/dbraw/zinc/85/29/21/168852921.db2.gz NUKHVBSTFSLLSL-UHFFFAOYSA-N 0 0 197.241 2.430 10 0 AEAERN Cc1ccc2c(ccc3c[nH]nc32)n1 72416428 168853235 /nfs/dbraw/zinc/85/32/35/168853235.db2.gz BXYGDDLHBHZNFP-UHFFFAOYSA-N 0 0 183.214 2.420 10 0 AEAERN Cc1ccc2c(c1N)CCCC2 75545025 168853533 /nfs/dbraw/zinc/85/35/33/168853533.db2.gz YFJFZNVQVIHIRU-UHFFFAOYSA-N 0 0 161.248 2.456 10 0 AEAERN Cc1ccc2c(c1C)O[C@@H](C)CN2 62519772 168853695 /nfs/dbraw/zinc/85/36/95/168853695.db2.gz GETRPJQHYMBIDI-QMMMGPOBSA-N 0 0 177.247 2.496 10 0 AEAERN Cc1ccc2c(n1)SCCC2=O 90397643 168853713 /nfs/dbraw/zinc/85/37/13/168853713.db2.gz BTIPVUAENRASAA-UHFFFAOYSA-N 0 0 179.244 2.069 10 0 AEAERN Cc1ccc2cc(CO)cnc2c1C 72206400 168853787 /nfs/dbraw/zinc/85/37/87/168853787.db2.gz DWSOGAMKPWHHMP-UHFFFAOYSA-N 0 0 187.242 2.344 10 0 AEAERN Cc1ccc2c(c1O)[C@H](C)CC2=O 75566346 168853918 /nfs/dbraw/zinc/85/39/18/168853918.db2.gz FKZDGHHQVWGOMF-SSDOTTSWSA-N 0 0 176.215 2.391 10 0 AEAERN Cc1ccc2c(n1)C[C@@H](C)CC2=O 39111394 168854113 /nfs/dbraw/zinc/85/41/13/168854113.db2.gz FAOHRMSNZHTVOC-SSDOTTSWSA-N 0 0 175.231 2.155 10 0 AEAERN Cc1ccc2ccn3ccnc3c2n1 40860387 168854320 /nfs/dbraw/zinc/85/43/20/168854320.db2.gz FLVHLHVNBROVCJ-UHFFFAOYSA-N 0 0 183.214 2.191 10 0 AEAERN Cc1ccc2nc(CCO)sc2c1 75856930 168854848 /nfs/dbraw/zinc/85/48/48/168854848.db2.gz ZQXHSRRGJLMLPV-UHFFFAOYSA-N 0 0 193.271 2.140 10 0 AEAERN Cc1ccc2cccn2c1 18555931 168855105 /nfs/dbraw/zinc/85/51/05/168855105.db2.gz ODONRXLJBJTMBP-UHFFFAOYSA-N 0 0 131.178 2.248 10 0 AEAERN Cc1ccc2nc(C)c(C)n2c1 34617084 168855334 /nfs/dbraw/zinc/85/53/34/168855334.db2.gz JZQGQWZPOCKOMG-UHFFFAOYSA-N 0 0 160.220 2.260 10 0 AEAERN Cc1ccc2ccnc(C=O)c2c1 82768956 168855370 /nfs/dbraw/zinc/85/53/70/168855370.db2.gz KKNFBOCHRMLCQN-UHFFFAOYSA-N 0 0 171.199 2.356 10 0 AEAERN Cc1ccc2cncc(N)c2c1 82805212 168855836 /nfs/dbraw/zinc/85/58/36/168855836.db2.gz MWXBGLMFKITOLR-UHFFFAOYSA-N 0 0 158.204 2.125 10 0 AEAERN Cc1ccc2nccnc2c1C 39134298 168856265 /nfs/dbraw/zinc/85/62/65/168856265.db2.gz VIOODURWFRIANC-UHFFFAOYSA-N 0 0 158.204 2.247 10 0 AEAERN Cc1ccc2oc([C@@H](C)N)nc2c1 37746461 168856277 /nfs/dbraw/zinc/85/62/77/168856277.db2.gz GAXYEBXQJOAWKV-SSDOTTSWSA-N 0 0 176.219 2.156 10 0 AEAERN Cc1ccc2ncnc(N3CCC3)c2c1 334391220 168856748 /nfs/dbraw/zinc/85/67/48/168856748.db2.gz UZMCYJMYDJZWAR-UHFFFAOYSA-N 0 0 199.257 2.148 10 0 AEAERN Cc1ccc2ncc(Cl)n2c1 89201969 168857007 /nfs/dbraw/zinc/85/70/07/168857007.db2.gz DCGPJHYJHBAKKJ-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN Cc1ccc2ncccc2c1CO 58836647 168857088 /nfs/dbraw/zinc/85/70/88/168857088.db2.gz SCSYLMMMDABQBF-UHFFFAOYSA-N 0 0 173.215 2.036 10 0 AEAERN Cc1ccc2oc(CO)c(C=O)c2c1 75579580 168857209 /nfs/dbraw/zinc/85/72/09/168857209.db2.gz WDXFBVPOXUXTTH-UHFFFAOYSA-N 0 0 190.198 2.046 10 0 AEAERN Cc1ccc2occ(CCO)c2c1 77254956 168857300 /nfs/dbraw/zinc/85/73/00/168857300.db2.gz JIOFAYNSRSAWNH-UHFFFAOYSA-N 0 0 176.215 2.276 10 0 AEAERN Cc1ccc2occ(CO)c2c1 6789059 168857881 /nfs/dbraw/zinc/85/78/81/168857881.db2.gz CQYMBAARSFSVSY-UHFFFAOYSA-N 0 0 162.188 2.234 10 0 AEAERN Cc1cccc(-c2ncc(C=O)o2)c1 40542722 168858371 /nfs/dbraw/zinc/85/83/71/168858371.db2.gz UFTVTKCPZNENHV-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN Cc1cccc(-c2c[nH]c(=O)s2)c1 72191672 168858412 /nfs/dbraw/zinc/85/84/12/168858412.db2.gz USOIAHRKDFZSQN-UHFFFAOYSA-N 0 0 191.255 2.412 10 0 AEAERN Cc1ccc2sccn12 39078317 168858500 /nfs/dbraw/zinc/85/85/00/168858500.db2.gz CITLYQNJJFYJBJ-UHFFFAOYSA-N 0 0 137.207 2.309 10 0 AEAERN Cc1cccc(-c2ncco2)c1N 42413543 168859148 /nfs/dbraw/zinc/85/91/48/168859148.db2.gz PBDDNIZPRDYMCF-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1ccc2occc2c1O 39059075 168859574 /nfs/dbraw/zinc/85/95/74/168859574.db2.gz IIZURRRKQVCURX-UHFFFAOYSA-N 0 0 148.161 2.447 10 0 AEAERN Cc1cccc(-c2cc(N)n[nH]2)c1F 75879859 168859875 /nfs/dbraw/zinc/85/98/75/168859875.db2.gz ROIBQJHCHZLBKT-UHFFFAOYSA-N 0 0 191.209 2.106 10 0 AEAERN Cc1cccc(-c2cc(C)nc(N)n2)c1 52837973 168859921 /nfs/dbraw/zinc/85/99/21/168859921.db2.gz OJLBMPBBCOCGEJ-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1cccc(/C=C\[N+](=O)[O-])c1 83328341 168860390 /nfs/dbraw/zinc/86/03/90/168860390.db2.gz YYYVODQGPSIUNS-WAYWQWQTSA-N 0 0 163.176 2.242 10 0 AEAERN Cc1cccc(C)c1N(C)C[C@@H](C)O 34121924 168862657 /nfs/dbraw/zinc/86/26/57/168862657.db2.gz NKERUSJXHLLPEJ-LLVKDONJSA-N 0 0 193.290 2.120 10 0 AEAERN Cc1cccc(C(C)(C)CO)c1 1765776 168862673 /nfs/dbraw/zinc/86/26/73/168862673.db2.gz GQANXDNVDMGUGX-UHFFFAOYSA-N 0 0 164.248 2.265 10 0 AEAERN Cc1cccc(C)c1NCCCO 34267254 168863202 /nfs/dbraw/zinc/86/32/02/168863202.db2.gz WIICBUNJNGILGO-UHFFFAOYSA-N 0 0 179.263 2.098 10 0 AEAERN Cc1cccc(C(N)=S)c1Cl 83341122 168863323 /nfs/dbraw/zinc/86/33/23/168863323.db2.gz JWGXZSSHKNAWBA-UHFFFAOYSA-N 0 0 185.679 2.283 10 0 AEAERN Cc1cccc(CC(N)=S)c1C 83340458 168863417 /nfs/dbraw/zinc/86/34/17/168863417.db2.gz KFVHAEKSOHKLNP-UHFFFAOYSA-N 0 0 179.288 2.132 10 0 AEAERN Cc1cccc(C2CC(O)C2)c1 37461724 168864345 /nfs/dbraw/zinc/86/43/45/168864345.db2.gz JCKFJBCNCATSAI-UHFFFAOYSA-N 0 0 162.232 2.233 10 0 AEAERN Cc1cccc(C=O)c1OC1CC1 95741502 168864634 /nfs/dbraw/zinc/86/46/34/168864634.db2.gz BEOBRGIVURKBKV-UHFFFAOYSA-N 0 0 176.215 2.349 10 0 AEAERN Cc1cccc(C)c1OC[C@H](C)CO 41206785 168864815 /nfs/dbraw/zinc/86/48/15/168864815.db2.gz MJGDRMGHKPUTNZ-SECBINFHSA-N 0 0 194.274 2.311 10 0 AEAERN Cc1cccc(CN(C)N=O)c1 5782250 168865699 /nfs/dbraw/zinc/86/56/99/168865699.db2.gz LHRLXHMVKNESOE-UHFFFAOYSA-N 0 0 164.208 2.108 10 0 AEAERN Cc1cccc(CN2CC(F)C2)c1F 335575154 168866436 /nfs/dbraw/zinc/86/64/36/168866436.db2.gz JLTSHWWTFAEAIX-UHFFFAOYSA-N 0 0 197.228 2.288 10 0 AEAERN Cc1cccc(N2CCCC2=O)c1C 41204694 168866929 /nfs/dbraw/zinc/86/69/29/168866929.db2.gz QSYLXESAKUDLBC-UHFFFAOYSA-N 0 0 189.258 2.430 10 0 AEAERN Cc1cccc(N)c1-c1ncco1 42413544 168867394 /nfs/dbraw/zinc/86/73/94/168867394.db2.gz BVCFDBLWXXWPFA-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1cccc(Cl)c1C(N)=S 39268366 168867565 /nfs/dbraw/zinc/86/75/65/168867565.db2.gz NBUMRXASFOKBCR-UHFFFAOYSA-N 0 0 185.679 2.283 10 0 AEAERN Cc1cccc(Cc2conc2N)c1 19785801 168868032 /nfs/dbraw/zinc/86/80/32/168868032.db2.gz AHOQKOLALVTMDL-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN Cc1cccc(Cl)c1NC[C@@H](C)O 34121919 168868131 /nfs/dbraw/zinc/86/81/31/168868131.db2.gz ZDBRAQVIAOLMQJ-MRVPVSSYSA-N 0 0 199.681 2.441 10 0 AEAERN Cc1cccc(NCc2ncccn2)c1 54458758 168868866 /nfs/dbraw/zinc/86/88/66/168868866.db2.gz LSHNFUPGMNQVPT-UHFFFAOYSA-N 0 0 199.257 2.397 10 0 AEAERN Cc1cccc(NCC(C)(C)O)c1C 32008831 168869726 /nfs/dbraw/zinc/86/97/26/168869726.db2.gz SPBPAEBSRCADPM-UHFFFAOYSA-N 0 0 193.290 2.486 10 0 AEAERN Cc1cccc(N[C@H](CO)C2CC2)c1 41047694 168869734 /nfs/dbraw/zinc/86/97/34/168869734.db2.gz RPYRTDWRMUTPLJ-GFCCVEGCSA-N 0 0 191.274 2.178 10 0 AEAERN Cc1cccc(NC[C@@H]2CCOC2)c1 19877283 168869976 /nfs/dbraw/zinc/86/99/76/168869976.db2.gz JOUINQVGPFNQEQ-NSHDSACASA-N 0 0 191.274 2.443 10 0 AEAERN Cc1cccc(N[C@@H](CO)C(C)C)c1 41049639 168870058 /nfs/dbraw/zinc/87/00/58/168870058.db2.gz GZBUMLFMVLTENF-LBPRGKRZSA-N 0 0 193.290 2.424 10 0 AEAERN Cc1cccc(NC[C@H]2CCOC2)c1 19877284 168870351 /nfs/dbraw/zinc/87/03/51/168870351.db2.gz JOUINQVGPFNQEQ-LLVKDONJSA-N 0 0 191.274 2.443 10 0 AEAERN Cc1cccc(O[C@H](C)[C@@H](C)O)c1C 44195971 168870544 /nfs/dbraw/zinc/87/05/44/168870544.db2.gz GQSABUGSQGHPGI-GHMZBOCLSA-N 0 0 194.274 2.452 10 0 AEAERN Cc1cccc(O[C@@H](C)[C@H](C)O)c1C 44195974 168870638 /nfs/dbraw/zinc/87/06/38/168870638.db2.gz GQSABUGSQGHPGI-QWRGUYRKSA-N 0 0 194.274 2.452 10 0 AEAERN Cc1cccc(OC[C@@H]2C[C@@H]2CO)c1 238499976 168870763 /nfs/dbraw/zinc/87/07/63/168870763.db2.gz QHVQABFQUBKWBX-MNOVXSKESA-N 0 0 192.258 2.002 10 0 AEAERN Cc1cccc(O[C@H](C)[C@H](C)O)c1C 44195978 168870850 /nfs/dbraw/zinc/87/08/50/168870850.db2.gz GQSABUGSQGHPGI-WDEREUQCSA-N 0 0 194.274 2.452 10 0 AEAERN Cc1cccc(O[C@H](C)C(N)=S)c1 41207156 168871003 /nfs/dbraw/zinc/87/10/03/168871003.db2.gz GDLXCMWBHRSNDR-MRVPVSSYSA-N 0 0 195.287 2.048 10 0 AEAERN Cc1cccc(OC[C@@H](C)CO)c1C 41206799 168871237 /nfs/dbraw/zinc/87/12/37/168871237.db2.gz DBOKGLGEFCMURD-VIFPVBQESA-N 0 0 194.274 2.311 10 0 AEAERN Cc1cccc(O[C@H](C)[C@@H](C)O)c1 44211607 168871442 /nfs/dbraw/zinc/87/14/42/168871442.db2.gz HDPZASNYAJKEGR-NXEZZACHSA-N 0 0 180.247 2.143 10 0 AEAERN Cc1cccc(OCC(C)(C)O)c1C 37695219 168871729 /nfs/dbraw/zinc/87/17/29/168871729.db2.gz SWKRLDSSYOQIML-UHFFFAOYSA-N 0 0 194.274 2.453 10 0 AEAERN Cc1cccc([C@@H](O)C(C)C)c1O 39604100 168872434 /nfs/dbraw/zinc/87/24/34/168872434.db2.gz TZIXXMCGFLORNH-JTQLQIEISA-N 0 0 180.247 2.390 10 0 AEAERN Cc1cccc([C@@H](C)CC(N)=O)c1C 41205422 168873414 /nfs/dbraw/zinc/87/34/14/168873414.db2.gz VYGXFOKGVHTHGT-VIFPVBQESA-N 0 0 191.274 2.282 10 0 AEAERN Cc1cccc([C@@H](O)c2cccnc2)c1 37464778 168873476 /nfs/dbraw/zinc/87/34/76/168873476.db2.gz MIEYTQSWBJWFNM-CYBMUJFWSA-N 0 0 199.253 2.472 10 0 AEAERN Cc1cccc([C@H](O)C(C)C)c1O 39604098 168874122 /nfs/dbraw/zinc/87/41/22/168874122.db2.gz TZIXXMCGFLORNH-SNVBAGLBSA-N 0 0 180.247 2.390 10 0 AEAERN Cc1cccc([C@H](O)c2cccnc2)c1 37464776 168874396 /nfs/dbraw/zinc/87/43/96/168874396.db2.gz MIEYTQSWBJWFNM-ZDUSSCGKSA-N 0 0 199.253 2.472 10 0 AEAERN Cc1cccc([C@H]2CN(C)C(=O)O2)c1 41205170 168874590 /nfs/dbraw/zinc/87/45/90/168874590.db2.gz KJNKWNYEZSMUMD-SNVBAGLBSA-N 0 0 191.230 2.118 10 0 AEAERN Cc1cccc([C@@H]2C[C@H](O)CCO2)c1 34752456 168875202 /nfs/dbraw/zinc/87/52/02/168875202.db2.gz OAZXZBVUJRKNQY-NEPJUHHUSA-N 0 0 192.258 2.207 10 0 AEAERN Cc1cccc([C@H](C)CC(N)=O)c1C 41205424 168875223 /nfs/dbraw/zinc/87/52/23/168875223.db2.gz VYGXFOKGVHTHGT-SECBINFHSA-N 0 0 191.274 2.282 10 0 AEAERN Cc1cccc2[nH]c(=O)n(C(C)C)c12 39168829 168875647 /nfs/dbraw/zinc/87/56/47/168875647.db2.gz MHYCZFWUKNNKRW-UHFFFAOYSA-N 0 0 190.246 2.219 10 0 AEAERN Cc1cccc2c(CCO)coc12 77254959 168875872 /nfs/dbraw/zinc/87/58/72/168875872.db2.gz AZUUNVPZTKPPQD-UHFFFAOYSA-N 0 0 176.215 2.276 10 0 AEAERN Cc1cccc2c(C=O)c(CO)oc12 75579526 168876567 /nfs/dbraw/zinc/87/65/67/168876567.db2.gz AUBNUHZHGCTULA-UHFFFAOYSA-N 0 0 190.198 2.046 10 0 AEAERN Cc1cccc2c1C=CCO2 24630402 168877711 /nfs/dbraw/zinc/87/77/11/168877711.db2.gz LAARGSXCSXRJDH-UHFFFAOYSA-N 0 0 146.189 2.401 10 0 AEAERN Cc1cccc2c1NC(=O)[C@H]2C 104350784 168877739 /nfs/dbraw/zinc/87/77/39/168877739.db2.gz ADCAUOPYFAZNCL-ZETCQYMHSA-N 0 0 161.204 2.051 10 0 AEAERN Cc1cccc2c1N(C)CCCN2 76601614 168877840 /nfs/dbraw/zinc/87/78/40/168877840.db2.gz LFUYKBGLWHQENA-UHFFFAOYSA-N 0 0 176.263 2.247 10 0 AEAERN Cc1cccc2c1NC(=O)[C@@H]2C 41167659 168878159 /nfs/dbraw/zinc/87/81/59/168878159.db2.gz ADCAUOPYFAZNCL-SSDOTTSWSA-N 0 0 161.204 2.051 10 0 AEAERN Cc1cccc2c1C(C)(C)CNC2=O 58520879 168878378 /nfs/dbraw/zinc/87/83/78/168878378.db2.gz PIAVWCYLOOHNJH-UHFFFAOYSA-N 0 0 189.258 2.016 10 0 AEAERN Cc1cccc2c1NCC1(CC1)C2=O 71489983 168878427 /nfs/dbraw/zinc/87/84/27/168878427.db2.gz KNJMRQJVVHBPFV-UHFFFAOYSA-N 0 0 187.242 2.383 10 0 AEAERN Cc1cccc2c1CC(C)(C)NC2=O 58520874 168878462 /nfs/dbraw/zinc/87/84/62/168878462.db2.gz RFWWCUSCPAKWDQ-UHFFFAOYSA-N 0 0 189.258 2.060 10 0 AEAERN Cc1cccc2c1NCCCN2 76594368 168878502 /nfs/dbraw/zinc/87/85/02/168878502.db2.gz FPHGGFGGNWXTIH-UHFFFAOYSA-N 0 0 162.236 2.223 10 0 AEAERN Cc1cccc2c(N3CCC3)ncnc12 335681733 168878847 /nfs/dbraw/zinc/87/88/47/168878847.db2.gz XUVPQKCDXWRVKK-UHFFFAOYSA-N 0 0 199.257 2.148 10 0 AEAERN Cc1cccc2c1N(C)C(=S)C2 34179724 168878883 /nfs/dbraw/zinc/87/88/83/168878883.db2.gz XLMJIVRCRGDYHT-UHFFFAOYSA-N 0 0 177.272 2.315 10 0 AEAERN Cc1cccc2c1N[C@@H](C)CC2=O 71481870 168878925 /nfs/dbraw/zinc/87/89/25/168878925.db2.gz CVYHOMWYLNHGNT-QMMMGPOBSA-N 0 0 175.231 2.382 10 0 AEAERN Cc1cccc2c1ncc1c(N)n[nH]c12 72236945 168879176 /nfs/dbraw/zinc/87/91/76/168879176.db2.gz LYKNJGLUVQKQQU-UHFFFAOYSA-N 0 0 198.229 2.002 10 0 AEAERN Cc1cccc2c1O[C@H](C)CC(=O)N2 62521055 168880372 /nfs/dbraw/zinc/88/03/72/168880372.db2.gz RYNMPTOQPJHQKZ-MRVPVSSYSA-N 0 0 191.230 2.105 10 0 AEAERN Cc1cccc2c1OCCC[C@@H]2O 37180248 168880476 /nfs/dbraw/zinc/88/04/76/168880476.db2.gz CQVXDKGGDFIJHP-JTQLQIEISA-N 0 0 178.231 2.201 10 0 AEAERN Cc1cccc2c1OC[C@@H](C)N2 62498523 168880524 /nfs/dbraw/zinc/88/05/24/168880524.db2.gz RTDXAVXCPSQXCT-MRVPVSSYSA-N 0 0 163.220 2.188 10 0 AEAERN Cc1cccc2ccnc(C=O)c12 75560930 168880905 /nfs/dbraw/zinc/88/09/05/168880905.db2.gz BLUYTULJMWFORV-UHFFFAOYSA-N 0 0 171.199 2.356 10 0 AEAERN Cc1ccccc1-c1n[nH]c(C)c1N 84450675 168881203 /nfs/dbraw/zinc/88/12/03/168881203.db2.gz NTPRTMPRHYYNCX-UHFFFAOYSA-N 0 0 187.246 2.276 10 0 AEAERN Cc1cccc2oc(CO)c(C=O)c12 75579582 168881258 /nfs/dbraw/zinc/88/12/58/168881258.db2.gz HLPMPGSEQOQSDK-UHFFFAOYSA-N 0 0 190.198 2.046 10 0 AEAERN Cc1ccccc(=O)c1Cl 45820007 168881279 /nfs/dbraw/zinc/88/12/79/168881279.db2.gz JSDSKGMGLYAHMK-UHFFFAOYSA-N 0 0 154.596 2.009 10 0 AEAERN Cc1ccccc1-c1ccnc(N)n1 44117111 168881377 /nfs/dbraw/zinc/88/13/77/168881377.db2.gz RNMOJMRFOFILNZ-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1cccc2oc(=O)ccc12 2006412 168881507 /nfs/dbraw/zinc/88/15/07/168881507.db2.gz FXMGSXNQELBPMX-UHFFFAOYSA-N 0 0 160.172 2.101 10 0 AEAERN Cc1cccc2ccc(CO)nc12 57348609 168881533 /nfs/dbraw/zinc/88/15/33/168881533.db2.gz JQODDDYHCPOLJB-UHFFFAOYSA-N 0 0 173.215 2.036 10 0 AEAERN Cc1ccccc1-c1ccc[nH]c1=O 65337612 168881854 /nfs/dbraw/zinc/88/18/54/168881854.db2.gz ZCBIDXBHQZNWFH-UHFFFAOYSA-N 0 0 185.226 2.350 10 0 AEAERN Cc1cccc2ccc(=O)oc12 2039234 168881912 /nfs/dbraw/zinc/88/19/12/168881912.db2.gz VSIIJVGRUZNHCF-UHFFFAOYSA-N 0 0 160.172 2.101 10 0 AEAERN Cc1cccc2sc(=NC#N)[nH]c12 45236836 168881927 /nfs/dbraw/zinc/88/19/27/168881927.db2.gz AZZJYSHUDWABAO-UHFFFAOYSA-N 0 0 189.243 2.498 10 0 AEAERN Cc1ccccc1-c1ccc(N)nn1 44118153 168882112 /nfs/dbraw/zinc/88/21/12/168882112.db2.gz CZHOZRYYXBPVAF-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1cccc2sc(CCO)nc12 75864255 168882148 /nfs/dbraw/zinc/88/21/48/168882148.db2.gz HFJHWISRPZLIQJ-UHFFFAOYSA-N 0 0 193.271 2.140 10 0 AEAERN Cc1ccccc1-n1cc(C)c(N)n1 54404852 168882498 /nfs/dbraw/zinc/88/24/98/168882498.db2.gz OUMDXLQTCGEBLP-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN Cc1ccccc1/C=C/[C@H](C)O 77261385 168882905 /nfs/dbraw/zinc/88/29/05/168882905.db2.gz GVIJAJGHRNIYRL-JARNTUPDSA-N 0 0 162.232 2.389 10 0 AEAERN Cc1ccccc1-c1cnoc1N 19045596 168883016 /nfs/dbraw/zinc/88/30/16/168883016.db2.gz PHTLQEMNDATVQI-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1ccccc1-n1cccc(C)c1=O 90647083 168883046 /nfs/dbraw/zinc/88/30/46/168883046.db2.gz HFJZEWRLXZJIRX-UHFFFAOYSA-N 0 0 199.253 2.454 10 0 AEAERN Cc1ccccc1-c1cncnc1 6816464 168883126 /nfs/dbraw/zinc/88/31/26/168883126.db2.gz NQTQRKPGRSRXFX-UHFFFAOYSA-N 0 0 170.215 2.452 10 0 AEAERN Cc1ccccc1-c1cncc(N)n1 44120045 168883176 /nfs/dbraw/zinc/88/31/76/168883176.db2.gz KDLBQBMGDMJJFS-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1cccnc1-c1cccnc1 13607101 168883888 /nfs/dbraw/zinc/88/38/88/168883888.db2.gz CUFOFERURLMOCG-UHFFFAOYSA-N 0 0 170.215 2.452 10 0 AEAERN Cc1ccn(C(=O)C2CCCCC2)n1 504462 168886087 /nfs/dbraw/zinc/88/60/87/168886087.db2.gz BDRXGYHQQJIJKY-UHFFFAOYSA-N 0 0 192.262 2.412 10 0 AEAERN Cc1ccn(-c2nc3ccccc3[nH]2)n1 78885459 168886357 /nfs/dbraw/zinc/88/63/57/168886357.db2.gz OGIKTAYNZQAZRU-UHFFFAOYSA-N 0 0 198.229 2.057 10 0 AEAERN Cc1ccnc(-c2ccncc2)c1N 47212395 168887438 /nfs/dbraw/zinc/88/74/38/168887438.db2.gz HBSUSCBQOAQSRW-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1ccn(Cc2ccccc2)c(=O)c1 39263018 168887583 /nfs/dbraw/zinc/88/75/83/168887583.db2.gz YHXAJAAYLYBHGQ-UHFFFAOYSA-N 0 0 199.253 2.205 10 0 AEAERN Cc1ccn2c(C)c(C)c(C=O)c2n1 75578673 168888612 /nfs/dbraw/zinc/88/86/12/168888612.db2.gz XPGRGFFHJWVHEU-UHFFFAOYSA-N 0 0 188.230 2.072 10 0 AEAERN Cc1ccn2c(C=O)c(Cl)nc2c1 82694878 168888666 /nfs/dbraw/zinc/88/86/66/168888666.db2.gz XCALYYABRXNORV-UHFFFAOYSA-N 0 0 194.621 2.109 10 0 AEAERN Cc1ccnc(N[C@H](C)C(C)C)n1 61858927 168889658 /nfs/dbraw/zinc/88/96/58/168889658.db2.gz NRBWLQOFCDACKH-SECBINFHSA-N 0 0 179.267 2.241 10 0 AEAERN Cc1ccnc(N[C@@H]2C[C@@H]2C)c1 52290732 168890305 /nfs/dbraw/zinc/89/03/05/168890305.db2.gz MTYRULZLTPLPBA-DTWKUNHWSA-N 0 0 162.236 2.210 10 0 AEAERN Cc1ccnc(NC(=O)C2=CCC2)c1 335948601 168890600 /nfs/dbraw/zinc/89/06/00/168890600.db2.gz QEXYVIDPGCWUQF-UHFFFAOYSA-N 0 0 188.230 2.049 10 0 AEAERN Cc1ccnc2ccc(CO)cc12 82778931 168890869 /nfs/dbraw/zinc/89/08/69/168890869.db2.gz VPXYOSYUZZGYJD-UHFFFAOYSA-N 0 0 173.215 2.036 10 0 AEAERN Cc1ccnc2c(CO)cc(F)cc12 82778939 168891246 /nfs/dbraw/zinc/89/12/46/168891246.db2.gz YXJYCKMTBMAMCF-UHFFFAOYSA-N 0 0 191.205 2.175 10 0 AEAERN Cc1ccnc2c(C)nccc12 196047819 168891316 /nfs/dbraw/zinc/89/13/16/168891316.db2.gz GOGCCGZWMJDIMX-UHFFFAOYSA-N 0 0 158.204 2.247 10 0 AEAERN Cc1ccnc2c1c(C=O)c(C)n2C 82391333 168891444 /nfs/dbraw/zinc/89/14/44/168891444.db2.gz WNRNVTZJQIWOAG-UHFFFAOYSA-N 0 0 188.230 2.003 10 0 AEAERN Cc1ccnc2c1[C@H](O)c1ccccc1-2 28539207 168891492 /nfs/dbraw/zinc/89/14/92/168891492.db2.gz QPDHHOPKWKFAIY-CYBMUJFWSA-N 0 0 197.237 2.452 10 0 AEAERN Cc1ccncc1C(=O)c1cccnc1 85440778 168891499 /nfs/dbraw/zinc/89/14/99/168891499.db2.gz ICJUEIXOPUQXRM-UHFFFAOYSA-N 0 0 198.225 2.016 10 0 AEAERN Cc1ccnc2[nH]cc(C)c12 104603376 168891551 /nfs/dbraw/zinc/89/15/51/168891551.db2.gz CCRUMQORQZSOJZ-UHFFFAOYSA-N 0 0 146.193 2.180 10 0 AEAERN Cc1ccnc2c(CO)cccc12 82778932 168891626 /nfs/dbraw/zinc/89/16/26/168891626.db2.gz WDZVYAHMKYVDKE-UHFFFAOYSA-N 0 0 173.215 2.036 10 0 AEAERN Cc1ccnc2cc(CO)ccc12 82778933 168892355 /nfs/dbraw/zinc/89/23/55/168892355.db2.gz IIFCBKZDTRVDNK-UHFFFAOYSA-N 0 0 173.215 2.036 10 0 AEAERN Cc1ccoc1-c1noc(N)c1C 34976037 168892833 /nfs/dbraw/zinc/89/28/33/168892833.db2.gz FPNDXBJZPYAQGN-UHFFFAOYSA-N 0 0 178.191 2.134 10 0 AEAERN Cc1ccnn1CCC(C)C 42355241 168893200 /nfs/dbraw/zinc/89/32/00/168893200.db2.gz VSBDSJSCSWSXJW-UHFFFAOYSA-N 0 0 152.241 2.238 10 0 AEAERN Cc1ccoc1C(=O)N1C[C@@H](C)[C@H]1C 334937794 168894143 /nfs/dbraw/zinc/89/41/43/168894143.db2.gz WOPSDBLRDHUGJE-RKDXNWHRSA-N 0 0 193.246 2.068 10 0 AEAERN Cc1ccsc1C(=O)[C@H]1CCCO1 42728565 168894826 /nfs/dbraw/zinc/89/48/26/168894826.db2.gz WXLALTUUMUQJRA-MRVPVSSYSA-N 0 0 196.271 2.418 10 0 AEAERN Cc1ccsc1[C@@H](O)C1CC1 42730867 168894980 /nfs/dbraw/zinc/89/49/80/168894980.db2.gz STRYAHRNVRRZCG-QMMMGPOBSA-N 0 0 168.261 2.500 10 0 AEAERN Cc1ccsc1C(=O)[C@H]1CCOC1 42728675 168895200 /nfs/dbraw/zinc/89/52/00/168895200.db2.gz RBQZQSKTMABRHE-QMMMGPOBSA-N 0 0 196.271 2.276 10 0 AEAERN Cc1ccoc1[C@@H](N)c1ccco1 43606775 168895273 /nfs/dbraw/zinc/89/52/73/168895273.db2.gz HLDGOUKAJFXBRW-VIFPVBQESA-N 0 0 177.203 2.229 10 0 AEAERN Cc1ccsc1-c1ncc(N)cn1 36895523 168895305 /nfs/dbraw/zinc/89/53/05/168895305.db2.gz ROAHQTSJEGQTLF-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1ccsc1[C@@H](O)[C@@H]1CCOC1 42730877 168896760 /nfs/dbraw/zinc/89/67/60/168896760.db2.gz XMXPPVXKSYJCQP-BDAKNGLRSA-N 0 0 198.287 2.126 10 0 AEAERN Cc1ccsc1[C@@H](O)[C@@H]1CCCO1 42730823 168897831 /nfs/dbraw/zinc/89/78/31/168897831.db2.gz UDMLBTYUUSELOL-IUCAKERBSA-N 0 0 198.287 2.269 10 0 AEAERN Cc1ccsc1[C@H](O)[C@H]1CCOC1 42730880 168897940 /nfs/dbraw/zinc/89/79/40/168897940.db2.gz XMXPPVXKSYJCQP-DTWKUNHWSA-N 0 0 198.287 2.126 10 0 AEAERN Cc1cn2c(C)ccc2c(C)n1 96327820 168898841 /nfs/dbraw/zinc/89/88/41/168898841.db2.gz LTCMZOGYIOLKIY-UHFFFAOYSA-N 0 0 160.220 2.260 10 0 AEAERN Cc1cn2c(n1)[C@H](C)CCC2 49804545 168899070 /nfs/dbraw/zinc/89/90/70/168899070.db2.gz SHMALGMDJTVNFR-SSDOTTSWSA-N 0 0 150.225 2.089 10 0 AEAERN Cc1cn2cccc2s1 39078319 168899236 /nfs/dbraw/zinc/89/92/36/168899236.db2.gz WHMNQHNCTCXQAT-UHFFFAOYSA-N 0 0 137.207 2.309 10 0 AEAERN Cc1cnc(C(=O)CC(C)C)cn1 38671818 168900141 /nfs/dbraw/zinc/90/01/41/168900141.db2.gz WCVUVXLXMDHFSP-UHFFFAOYSA-N 0 0 178.235 2.014 10 0 AEAERN Cc1cnc(C(C)C)c(C)n1 39103030 168900814 /nfs/dbraw/zinc/90/08/14/168900814.db2.gz CXHJEDDBVQXOSF-UHFFFAOYSA-N 0 0 150.225 2.217 10 0 AEAERN Cc1cnc(C(F)(F)F)s1 34512291 168901268 /nfs/dbraw/zinc/90/12/68/168901268.db2.gz PKQIWKITBAXEHQ-UHFFFAOYSA-N 0 0 167.155 2.470 10 0 AEAERN Cc1cnc(C)c(N[C@@H]2CC[C@H]2C)n1 307111610 168902107 /nfs/dbraw/zinc/90/21/07/168902107.db2.gz NOLXPGXRQRRXQF-GMSGAONNSA-N 0 0 191.278 2.304 10 0 AEAERN Cc1cnc(CN2[C@@H](C)C[C@@H]2C)s1 306433003 168902530 /nfs/dbraw/zinc/90/25/30/168902530.db2.gz VJQRHLIMNNAPNH-YUMQZZPRSA-N 0 0 196.319 2.434 10 0 AEAERN Cc1cnc(Cc2cccc(N)c2)o1 82530109 168904487 /nfs/dbraw/zinc/90/44/87/168904487.db2.gz KKJFPUWHOSDIII-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN Cc1cnc(Cl)c2ocnc12 89211728 168904506 /nfs/dbraw/zinc/90/45/06/168904506.db2.gz NTRHJFBGDXRNHR-UHFFFAOYSA-N 0 0 168.583 2.185 10 0 AEAERN Cc1cnc(F)c(OC2CC2)c1 95722176 168904564 /nfs/dbraw/zinc/90/45/64/168904564.db2.gz OFFMWQPMCYXWIO-UHFFFAOYSA-N 0 0 167.183 2.070 10 0 AEAERN Cc1cnc(F)c2cc[nH]c12 43220716 168904689 /nfs/dbraw/zinc/90/46/89/168904689.db2.gz SMVUYJFOMSRRDN-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN Cc1cnc(N)c(-c2cccnc2)c1 47212378 168904742 /nfs/dbraw/zinc/90/47/42/168904742.db2.gz GRVIWFABVNZKGL-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1cnc(Cl)c(/C=C/CO)c1 45259289 168904906 /nfs/dbraw/zinc/90/49/06/168904906.db2.gz WBARJHONXLUJEK-NSCUHMNNSA-N 0 0 183.638 2.049 10 0 AEAERN Cc1cnc(Cc2ccco2)c(C)n1 32175160 168904926 /nfs/dbraw/zinc/90/49/26/168904926.db2.gz AYHLQEAYCNZHDY-UHFFFAOYSA-N 0 0 188.230 2.277 10 0 AEAERN Cc1cnc(NCc2ccc[nH]2)s1 83341999 168905782 /nfs/dbraw/zinc/90/57/82/168905782.db2.gz ATGOLTGNHYMSMS-UHFFFAOYSA-N 0 0 193.275 2.392 10 0 AEAERN CCCc1cn2c(n1)CCCC2 135886353 343970218 /nfs/dbraw/zinc/97/02/18/343970218.db2.gz GWEYVAYMSAEBMZ-UHFFFAOYSA-N 0 0 164.252 2.172 10 0 AEAERN Cc1cnc(SC2CCC2)nc1 307101039 168906040 /nfs/dbraw/zinc/90/60/40/168906040.db2.gz HHYKZUMTNIUQHX-UHFFFAOYSA-N 0 0 180.276 2.430 10 0 AEAERN Cc1cnc(N[C@H]2CC[C@H]2C)nc1C 306379592 168906044 /nfs/dbraw/zinc/90/60/44/168906044.db2.gz AWJFOJZUZHFBSJ-XCBNKYQSSA-N 0 0 191.278 2.304 10 0 AEAERN Cc1cnc(NC[C@@H]2C[C@H]2C)nc1C 306255680 168906295 /nfs/dbraw/zinc/90/62/95/168906295.db2.gz XGCKZXGQJRLSGK-XCBNKYQSSA-N 0 0 191.278 2.161 10 0 AEAERN Cc1cnc(OC(C)C)s1 39134543 168906725 /nfs/dbraw/zinc/90/67/25/168906725.db2.gz CYNFIPWEZWABDL-UHFFFAOYSA-N 0 0 157.238 2.239 10 0 AEAERN Cc1cnc(N[C@H]2C[C@@H]2C)s1 306286624 168906902 /nfs/dbraw/zinc/90/69/02/168906902.db2.gz KRZNXHJLJJPQMN-FSPLSTOPSA-N 0 0 168.265 2.272 10 0 AEAERN Cc1cnc(NC[C@@H]2C[C@@H]2C)nc1C 306255681 168906961 /nfs/dbraw/zinc/90/69/61/168906961.db2.gz XGCKZXGQJRLSGK-XVKPBYJWSA-N 0 0 191.278 2.161 10 0 AEAERN Cc1cnc([C@]2(C)CC=CO2)c(C)n1 200001638 168908988 /nfs/dbraw/zinc/90/89/88/168908988.db2.gz HNKJLPDARDQZMU-NSHDSACASA-N 0 0 190.246 2.243 10 0 AEAERN Cc1cnc2nccc(C)c2c1 32197244 168909588 /nfs/dbraw/zinc/90/95/88/168909588.db2.gz HFPDQUIBEVLCNW-UHFFFAOYSA-N 0 0 158.204 2.247 10 0 AEAERN Cc1cnc2nc3ccccc3n2c1 32222239 168909770 /nfs/dbraw/zinc/90/97/70/168909770.db2.gz HDRLXTAKRJFWQN-UHFFFAOYSA-N 0 0 183.214 2.191 10 0 AEAERN Cc1cnc2[nH]c(CC(C)C)nc2c1 57765206 168909876 /nfs/dbraw/zinc/90/98/76/168909876.db2.gz UDZDDHDRURLBBO-UHFFFAOYSA-N 0 0 189.262 2.465 10 0 AEAERN Cc1cncc(-c2ccncc2)c1 47214305 168910438 /nfs/dbraw/zinc/91/04/38/168910438.db2.gz NVKLUOAVYPYRSN-UHFFFAOYSA-N 0 0 170.215 2.452 10 0 AEAERN Cc1cnc2ccc(O)cc2c1 83253486 168910777 /nfs/dbraw/zinc/91/07/77/168910777.db2.gz MEWQFVUDMDGJLA-UHFFFAOYSA-N 0 0 159.188 2.249 10 0 AEAERN Cc1cncc(N[C@@H](C)C(C)C)n1 307752812 168911787 /nfs/dbraw/zinc/91/17/87/168911787.db2.gz SWYMNLAFBIZNOV-VIFPVBQESA-N 0 0 179.267 2.241 10 0 AEAERN Cc1cncc2cccc(C=O)c12 82768955 168911802 /nfs/dbraw/zinc/91/18/02/168911802.db2.gz GMTLTGBXQSMMJB-UHFFFAOYSA-N 0 0 171.199 2.356 10 0 AEAERN Cc1cncc(N[C@H](C)C(C)C)n1 307752811 168912898 /nfs/dbraw/zinc/91/28/98/168912898.db2.gz SWYMNLAFBIZNOV-SECBINFHSA-N 0 0 179.267 2.241 10 0 AEAERN Cc1cnn(-c2ccccc2F)c1 37676747 168915116 /nfs/dbraw/zinc/91/51/16/168915116.db2.gz LJBLMKJEUVAOMO-UHFFFAOYSA-N 0 0 176.194 2.320 10 0 AEAERN Cc1cnn(CC[C@@H]2CCCCO2)c1 335917517 168915330 /nfs/dbraw/zinc/91/53/30/168915330.db2.gz KXYQRCBSRQEUIN-NSHDSACASA-N 0 0 194.278 2.151 10 0 AEAERN Cc1cnn(CC[C@H]2CCCCO2)c1 335917516 168915843 /nfs/dbraw/zinc/91/58/43/168915843.db2.gz KXYQRCBSRQEUIN-LLVKDONJSA-N 0 0 194.278 2.151 10 0 AEAERN Cc1cnn([C@H]2CCCCC[C@@H]2O)c1 44186668 168915989 /nfs/dbraw/zinc/91/59/89/168915989.db2.gz WBRAYMUCRSYVKO-QWRGUYRKSA-N 0 0 194.278 2.058 10 0 AEAERN Cc1cnn(C[C@H]2CCO[C@@H](C)C2)c1 335244344 168916178 /nfs/dbraw/zinc/91/61/78/168916178.db2.gz AMYAYCPTYCYOKB-QWRGUYRKSA-N 0 0 194.278 2.007 10 0 AEAERN Cc1cnn(Cc2ccccc2)c1 4208851 168916385 /nfs/dbraw/zinc/91/63/85/168916385.db2.gz CEPAKGKUFHRAPH-UHFFFAOYSA-N 0 0 172.231 2.240 10 0 AEAERN Cc1coc([C@@H](O)c2ccccc2)n1 75870569 168917121 /nfs/dbraw/zinc/91/71/21/168917121.db2.gz KDLDCGPGRZCPFA-JTQLQIEISA-N 0 0 189.214 2.065 10 0 AEAERN Cc1cnoc1C(F)(F)F 39112833 168917201 /nfs/dbraw/zinc/91/72/01/168917201.db2.gz XMSGHROLMRBTFI-UHFFFAOYSA-N 0 0 151.087 2.002 10 0 AEAERN Cc1coc(C(C)C)n1 75839247 168917222 /nfs/dbraw/zinc/91/72/22/168917222.db2.gz HINVVWUEAOKCCA-UHFFFAOYSA-N 0 0 125.171 2.106 10 0 AEAERN Cc1coc(Cc2ccccc2N)n1 82530106 168917617 /nfs/dbraw/zinc/91/76/17/168917617.db2.gz JQPGEIZAGXJROF-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN Cc1coc(Cc2cccc(N)c2)n1 82530108 168917897 /nfs/dbraw/zinc/91/78/97/168917897.db2.gz HUENFHOIHKOXJN-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN Cc1coc(SCCF)n1 307389865 168918132 /nfs/dbraw/zinc/91/81/32/168918132.db2.gz ABAXCCQJZDJKMQ-UHFFFAOYSA-N 0 0 161.201 2.045 10 0 AEAERN Cc1coc2cc(N)ccc12 82839948 168918653 /nfs/dbraw/zinc/91/86/53/168918653.db2.gz KRAOPUIUSRMCFL-UHFFFAOYSA-N 0 0 147.177 2.323 10 0 AEAERN Cc1coc2c(N)c(O)ccc12 39136027 168918736 /nfs/dbraw/zinc/91/87/36/168918736.db2.gz DTPJYEGIQWTFRK-UHFFFAOYSA-N 0 0 163.176 2.029 10 0 AEAERN Cc1coc([C@H](O)c2ccccc2)n1 75870568 168919058 /nfs/dbraw/zinc/91/90/58/168919058.db2.gz KDLDCGPGRZCPFA-SNVBAGLBSA-N 0 0 189.214 2.065 10 0 AEAERN Cc1coc2ccc(O)c(N)c12 82404684 168919208 /nfs/dbraw/zinc/91/92/08/168919208.db2.gz CPBOXHYXOKNKAV-UHFFFAOYSA-N 0 0 163.176 2.029 10 0 AEAERN Cc1csc(C(=O)N[C@@H]2C[C@H]2C)c1 307352189 168919597 /nfs/dbraw/zinc/91/95/97/168919597.db2.gz BWBRYISXIXBKHR-HTQZYQBOSA-N 0 0 195.287 2.195 10 0 AEAERN Cc1csc(C(=O)OC(C)C)c1N 39084781 168919869 /nfs/dbraw/zinc/91/98/69/168919869.db2.gz ZXMQWAFNUZEZIH-UHFFFAOYSA-N 0 0 199.275 2.204 10 0 AEAERN Cc1coc2c(F)cccc2c1=O 75881991 168919958 /nfs/dbraw/zinc/91/99/58/168919958.db2.gz TXRMAOBBEFETMF-UHFFFAOYSA-N 0 0 178.162 2.241 10 0 AEAERN Cc1csc(NC(=O)C2=CCC2)n1 306282873 168920748 /nfs/dbraw/zinc/92/07/48/168920748.db2.gz HRORHSGBQJNJAJ-UHFFFAOYSA-N 0 0 194.259 2.110 10 0 AEAERN Cc1csc2c1-n1cccc1C2=O 1649466 168921858 /nfs/dbraw/zinc/92/18/58/168921858.db2.gz HUBAOSNDBZSWPZ-UHFFFAOYSA-N 0 0 189.239 2.392 10 0 AEAERN Cc1csc2nc(Cl)cn12 96191410 168922222 /nfs/dbraw/zinc/92/22/22/168922222.db2.gz HKQSORZTBYXEAC-UHFFFAOYSA-N 0 0 172.640 2.358 10 0 AEAERN Cc1nc(-c2ccc(F)c(F)c2)n[nH]1 36960723 168922899 /nfs/dbraw/zinc/92/28/99/168922899.db2.gz JRLVFWARSSRWBR-UHFFFAOYSA-N 0 0 195.172 2.058 10 0 AEAERN Cc1[nH]nc(-c2ccc(F)cc2)c1N 35933151 168923088 /nfs/dbraw/zinc/92/30/88/168923088.db2.gz AIHHPVDGCMQPPG-UHFFFAOYSA-N 0 0 191.209 2.106 10 0 AEAERN Cc1csc2ccc(O)c(N)c12 82397014 168923138 /nfs/dbraw/zinc/92/31/38/168923138.db2.gz RIJLAOUZLWGTDN-UHFFFAOYSA-N 0 0 179.244 2.498 10 0 AEAERN Cc1cscc1C(=O)N[C@H]1C[C@@H]1C 306768769 168923275 /nfs/dbraw/zinc/92/32/75/168923275.db2.gz ZLRWOSWLJOPBEH-RCOVLWMOSA-N 0 0 195.287 2.195 10 0 AEAERN Cc1[nH]nc(-c2ccccc2O)c1C 82880338 168923536 /nfs/dbraw/zinc/92/35/36/168923536.db2.gz NEISFFYPXZJNGM-UHFFFAOYSA-N 0 0 188.230 2.399 10 0 AEAERN Cc1n[nH]c(=S)n1[C@@H](C)C1CC1 35733932 168924154 /nfs/dbraw/zinc/92/41/54/168924154.db2.gz SDMDHDVXOKABRJ-YFKPBYRVSA-N 0 0 183.280 2.220 10 0 AEAERN Cc1n[nH]c(C)c1NCC(C)(C)C 41051238 168924764 /nfs/dbraw/zinc/92/47/64/168924764.db2.gz NWLXNGRGJKQVNO-UHFFFAOYSA-N 0 0 181.283 2.485 10 0 AEAERN CCc1nc2n(c1C)CC[C@H](C)C2 135888864 343970489 /nfs/dbraw/zinc/97/04/89/343970489.db2.gz QUWBMMWKAVYRFA-QMMMGPOBSA-N 0 0 178.279 2.336 10 0 AEAERN Cc1[nH]nc2c1CNc1ccccc1-2 71485332 168925785 /nfs/dbraw/zinc/92/57/85/168925785.db2.gz DKFWSGCVAHIKDT-UHFFFAOYSA-N 0 0 185.230 2.311 10 0 AEAERN Cc1nc(C)c(F)c(N[C@H]2C[C@@H]2C)n1 307409256 168934173 /nfs/dbraw/zinc/93/41/73/168934173.db2.gz FPUKOZNHZRGUDH-XNCJUZBTSA-N 0 0 195.241 2.053 10 0 AEAERN Cc1nc(C)c(F)c(NCC2CC2)n1 307739271 168934574 /nfs/dbraw/zinc/93/45/74/168934574.db2.gz YLURWODOWCLZCM-UHFFFAOYSA-N 0 0 195.241 2.054 10 0 AEAERN Cc1nc(C2CCC2)sc1CCO 83342833 168937008 /nfs/dbraw/zinc/93/70/08/168937008.db2.gz TVLKAPAVADSGAB-UHFFFAOYSA-N 0 0 197.303 2.254 10 0 AEAERN Cc1nc(C2CCCC2)nc(C)c1N 82319994 168937495 /nfs/dbraw/zinc/93/74/95/168937495.db2.gz QJFLKFKGMWTYOM-UHFFFAOYSA-N 0 0 191.278 2.333 10 0 AEAERN Cc1nc(C2CCCC2)ncc1N 82319996 168937699 /nfs/dbraw/zinc/93/76/99/168937699.db2.gz SGISJNWJRONEPY-UHFFFAOYSA-N 0 0 177.251 2.025 10 0 AEAERN Cc1nc(Cl)c2c(n1)CSC2 5783425 168942709 /nfs/dbraw/zinc/94/27/09/168942709.db2.gz RYAXUNIIQRQNMK-UHFFFAOYSA-N 0 0 186.667 2.185 10 0 AEAERN Cc1nc(Cl)cc(OCC2CC2)n1 52834922 168943613 /nfs/dbraw/zinc/94/36/13/168943613.db2.gz UWBFCALHRJBBPB-UHFFFAOYSA-N 0 0 198.653 2.227 10 0 AEAERN Cc1nc(N)nc(Cl)c1CC(C)C 12653188 168945476 /nfs/dbraw/zinc/94/54/76/168945476.db2.gz ZRYPJTJYZCFAFP-UHFFFAOYSA-N 0 0 199.685 2.219 10 0 AEAERN Cc1nc(N)nc(Cl)c1C(C)C 79067277 168945564 /nfs/dbraw/zinc/94/55/64/168945564.db2.gz FOXUSBRWUHBFMZ-UHFFFAOYSA-N 0 0 185.658 2.144 10 0 AEAERN Cc1nc(N)cnc1C1CCCCC1 39115477 168946080 /nfs/dbraw/zinc/94/60/80/168946080.db2.gz BBGAQYOMHGXLGG-UHFFFAOYSA-N 0 0 191.278 2.415 10 0 AEAERN Cc1nc(NC(=O)C2(C)CC2)cs1 307679325 168946542 /nfs/dbraw/zinc/94/65/42/168946542.db2.gz MGRQDJXKOCXRNY-UHFFFAOYSA-N 0 0 196.275 2.190 10 0 AEAERN Cc1nc(N)sc1-c1ccco1 19683205 168947196 /nfs/dbraw/zinc/94/71/96/168947196.db2.gz BFOWMLAIVYQQMK-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN Cc1nc(N)sc1-c1cscn1 41626794 168947767 /nfs/dbraw/zinc/94/77/67/168947767.db2.gz INOPUKNFTWEERP-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN Cc1nc2c(Cl)c(C=O)ccc2[nH]1 82386930 168952940 /nfs/dbraw/zinc/95/29/40/168952940.db2.gz YSUFTLMXZNHJJV-UHFFFAOYSA-N 0 0 194.621 2.337 10 0 AEAERN Cc1nc2c(s1)CSCC2 75838605 168954904 /nfs/dbraw/zinc/95/49/04/168954904.db2.gz GMPUVLMFPRLKQA-UHFFFAOYSA-N 0 0 171.290 2.241 10 0 AEAERN Cc1nc2ccc(CCCO)cc2o1 82588450 168956322 /nfs/dbraw/zinc/95/63/22/168956322.db2.gz XWXHAZSBJCUSDH-UHFFFAOYSA-N 0 0 191.230 2.061 10 0 AEAERN Cc1nc2ccc(F)c(N)c2s1 45236501 168956918 /nfs/dbraw/zinc/95/69/18/168956918.db2.gz BEHAPACJZQDSBS-UHFFFAOYSA-N 0 0 182.223 2.326 10 0 AEAERN Cc1nc2cccnc2n1C1CC1 75972666 168957956 /nfs/dbraw/zinc/95/79/56/168957956.db2.gz HTOXCWSLLLLSKK-UHFFFAOYSA-N 0 0 173.219 2.075 10 0 AEAERN Cc1nc2ccc(N)c(C)c2nc1C 5159685 168958167 /nfs/dbraw/zinc/95/81/67/168958167.db2.gz FTQTXCRKNAHWOF-UHFFFAOYSA-N 0 0 187.246 2.137 10 0 AEAERN Cc1nc2ccc([C@H](C)O)cc2o1 77266578 168958208 /nfs/dbraw/zinc/95/82/08/168958208.db2.gz XWZXMCWKVXMJKU-LURJTMIESA-N 0 0 177.203 2.190 10 0 AEAERN Cc1nc2cccnc2n1C(C)C 75972678 168958316 /nfs/dbraw/zinc/95/83/16/168958316.db2.gz BMCWFEMHXVGZJB-UHFFFAOYSA-N 0 0 175.235 2.321 10 0 AEAERN Cc1nc2ccc(F)cc2nc1C 39114023 168958442 /nfs/dbraw/zinc/95/84/42/168958442.db2.gz OCEWKKNSJQLOQZ-UHFFFAOYSA-N 0 0 176.194 2.386 10 0 AEAERN Cc1ncc(-c2ccccn2)o1 75838761 168961393 /nfs/dbraw/zinc/96/13/93/168961393.db2.gz OAKBPYFJHNEZPV-UHFFFAOYSA-N 0 0 160.176 2.045 10 0 AEAERN Cc1ncc(-c2ccncc2)o1 75838764 168962670 /nfs/dbraw/zinc/96/26/70/168962670.db2.gz CLCXXPZFHWZTOH-UHFFFAOYSA-N 0 0 160.176 2.045 10 0 AEAERN Cc1ncc(N)c(C2CCCC2)n1 82319997 168966041 /nfs/dbraw/zinc/96/60/41/168966041.db2.gz MSYLXOAJQQKTIB-UHFFFAOYSA-N 0 0 177.251 2.025 10 0 AEAERN Cc1ncc(OC2CC2)cc1F 95712449 168966106 /nfs/dbraw/zinc/96/61/06/168966106.db2.gz HHZZKCISSILCNS-UHFFFAOYSA-N 0 0 167.183 2.070 10 0 AEAERN Cc1ncc(O)c2ccsc12 39123460 168966514 /nfs/dbraw/zinc/96/65/14/168966514.db2.gz VVQWCTNFIKQXSM-UHFFFAOYSA-N 0 0 165.217 2.310 10 0 AEAERN Cc1ncc(Cc2ccccc2N)o1 83254701 168966870 /nfs/dbraw/zinc/96/68/70/168966870.db2.gz OWBXWJIKQKSUNS-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN Cc1ncc2c(F)ccc(F)c2n1 90411388 168968522 /nfs/dbraw/zinc/96/85/22/168968522.db2.gz VVSCNNHKPQSUFP-UHFFFAOYSA-N 0 0 180.157 2.216 10 0 AEAERN Cc1nccc(CNc2ccccc2)n1 54789971 168970108 /nfs/dbraw/zinc/97/01/08/168970108.db2.gz ALYPXTWUCMVCQU-UHFFFAOYSA-N 0 0 199.257 2.397 10 0 AEAERN Cc1ncccc1C(=O)OC(C)(C)C 34492091 168971500 /nfs/dbraw/zinc/97/15/00/168971500.db2.gz QIRFNOIGXHVESW-UHFFFAOYSA-N 0 0 193.246 2.345 10 0 AEAERN Cc1ncccc1C(F)F 39050594 168971712 /nfs/dbraw/zinc/97/17/12/168971712.db2.gz BZUGYWBCHVCSCL-UHFFFAOYSA-N 0 0 143.136 2.328 10 0 AEAERN Cc1nccc(OC2CC2)c1F 95724666 168971797 /nfs/dbraw/zinc/97/17/97/168971797.db2.gz SHALVIVFJSLXNT-UHFFFAOYSA-N 0 0 167.183 2.070 10 0 AEAERN Cc1nccnc1Cc1cccs1 33637733 168976374 /nfs/dbraw/zinc/97/63/74/168976374.db2.gz TUHNNOHMTDQQLQ-UHFFFAOYSA-N 0 0 190.271 2.437 10 0 AEAERN Cc1ncsc1[C@@H](O)c1ccoc1 13906179 168979560 /nfs/dbraw/zinc/97/95/60/168979560.db2.gz YDEHXQQXLGIPPM-QMMMGPOBSA-N 0 0 195.243 2.126 10 0 AEAERN Cc1ncsc1[C@H](O)c1ccco1 19387 168981574 /nfs/dbraw/zinc/98/15/74/168981574.db2.gz UKOAUGAIZTVJKD-MRVPVSSYSA-N 0 0 195.243 2.126 10 0 AEAERN Cc1nn(C)c(C)c1N[C@H](C)C(C)C 20135079 168981799 /nfs/dbraw/zinc/98/17/99/168981799.db2.gz HTABHQVQOOWZRC-MRVPVSSYSA-N 0 0 195.310 2.493 10 0 AEAERN Cc1nn(C)c(C)c1OCC(C)C 307688777 168982293 /nfs/dbraw/zinc/98/22/93/168982293.db2.gz MJSUCSFKVRQGTI-UHFFFAOYSA-N 0 0 182.267 2.072 10 0 AEAERN Cc1nn(C)c2nc3ccccc3cc12 39433746 168983290 /nfs/dbraw/zinc/98/32/90/168983290.db2.gz JZDPNYXRLMYHLU-UHFFFAOYSA-N 0 0 197.241 2.430 10 0 AEAERN Cc1nn(C)c(N)c1C1CCCCC1 77278305 168984341 /nfs/dbraw/zinc/98/43/41/168984341.db2.gz DDDNWSMFPICZIL-UHFFFAOYSA-N 0 0 193.294 2.358 10 0 AEAERN Cc1nn(C/C=C/Cl)c(C)c1C=O 36867965 168986041 /nfs/dbraw/zinc/98/60/41/168986041.db2.gz HPMASVAPMPHFBV-ONEGZZNKSA-N 0 0 198.653 2.065 10 0 AEAERN Cc1nn(CCC(C)C)c(N)c1C 45628387 168987171 /nfs/dbraw/zinc/98/71/71/168987171.db2.gz RKWBDRHRDSZEGA-UHFFFAOYSA-N 0 0 181.283 2.128 10 0 AEAERN Cc1nn([C@H](C)C2CC2)c(N)c1C 45628386 168987269 /nfs/dbraw/zinc/98/72/69/168987269.db2.gz FOQUBYCGBREOTF-MRVPVSSYSA-N 0 0 179.267 2.053 10 0 AEAERN Cc1nn([C@H](C)C2CC2)c(C)c1N 40932288 168987717 /nfs/dbraw/zinc/98/77/17/168987717.db2.gz WQFXJWLKFABUMQ-SSDOTTSWSA-N 0 0 179.267 2.053 10 0 AEAERN Cc1nn([C@@H](C)C2CC2)c(N)c1C 45628385 168987719 /nfs/dbraw/zinc/98/77/19/168987719.db2.gz FOQUBYCGBREOTF-QMMMGPOBSA-N 0 0 179.267 2.053 10 0 AEAERN Cc1nn([C@@H](C)C2CC2)c(C)c1C=O 40931907 168987787 /nfs/dbraw/zinc/98/77/87/168987787.db2.gz OAFSVOKASORXKJ-QMMMGPOBSA-N 0 0 192.262 2.283 10 0 AEAERN Cc1nc2cc(-c3ccccc3)[nH]n2n1 118492744 168988974 /nfs/dbraw/zinc/98/89/74/168988974.db2.gz IATCIYSCWSRQLM-UHFFFAOYSA-N 0 0 198.229 2.033 10 0 AEAERN Cc1nnc(-c2ccc(N)cc2)s1 20441555 168990053 /nfs/dbraw/zinc/99/00/53/168990053.db2.gz PXZUTFFTXQGMTQ-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1nnc(NCC2(C)CCC2)s1 226809095 168991831 /nfs/dbraw/zinc/99/18/31/168991831.db2.gz XFRNXONZYRWMRF-UHFFFAOYSA-N 0 0 197.307 2.449 10 0 AEAERN Cc1nnc(SC2CCC2)s1 306431521 168993304 /nfs/dbraw/zinc/99/33/04/168993304.db2.gz ACEVUZSOJDZYNN-UHFFFAOYSA-N 0 0 186.305 2.491 10 0 AEAERN Cc1nnsc1-c1ccc(N)cc1 82389510 168996883 /nfs/dbraw/zinc/99/68/83/168996883.db2.gz FJTXRARZXCWEAD-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1noc(-c2ccccc2F)c1N 77276730 168996987 /nfs/dbraw/zinc/99/69/87/168996987.db2.gz KSGLISFPCZQLKP-UHFFFAOYSA-N 0 0 192.193 2.371 10 0 AEAERN CC1=NOC(c2ccccc2)C1=O 5378235 168997014 /nfs/dbraw/zinc/99/70/14/168997014.db2.gz CUVDQVLNYMDEMB-UHFFFAOYSA-N 0 0 175.187 2.356 10 0 AEAERN Cc1noc(-c2cccs2)c1N 82529616 168997525 /nfs/dbraw/zinc/99/75/25/168997525.db2.gz XZYPSDWFEIIWDI-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN Cc1noc(NCc2ccc[nH]2)c1C 83341642 169000177 /nfs/dbraw/zinc/00/01/77/169000177.db2.gz MWNYLNFOEZZCHR-UHFFFAOYSA-N 0 0 191.234 2.232 10 0 AEAERN Cc1noc(Cc2ccsc2C)n1 306524176 169000375 /nfs/dbraw/zinc/00/03/75/169000375.db2.gz XMRRZLWBFINZMO-UHFFFAOYSA-N 0 0 194.259 2.339 10 0 AEAERN Cc1noc(NC(=O)CC(C)C)c1C 335351703 169000538 /nfs/dbraw/zinc/00/05/38/169000538.db2.gz YYFRAWUFGLFJBL-UHFFFAOYSA-N 0 0 196.250 2.276 10 0 AEAERN Cc1noc([C@@H]2CCC[C@@H](F)C2)n1 335277336 169000588 /nfs/dbraw/zinc/00/05/88/169000588.db2.gz PGJGWZLVIYAAED-HTQZYQBOSA-N 0 0 184.214 2.374 10 0 AEAERN Cc1noc(Cc2ccc(C)s2)n1 307659050 169000595 /nfs/dbraw/zinc/00/05/95/169000595.db2.gz CGPGQHWNMRQMFX-UHFFFAOYSA-N 0 0 194.259 2.339 10 0 AEAERN Cc1noc(CSC2CCC2)n1 335228719 169000698 /nfs/dbraw/zinc/00/06/98/169000698.db2.gz AJXQAGBNPGXMAM-UHFFFAOYSA-N 0 0 184.264 2.164 10 0 AEAERN Cc1noc(NCc2ccco2)c1C 83341746 169000700 /nfs/dbraw/zinc/00/07/00/169000700.db2.gz OLWKJKCXXHLCTI-UHFFFAOYSA-N 0 0 192.218 2.497 10 0 AEAERN Cc1noc(NC(=O)C(C)(C)C)c1C 223746049 169001353 /nfs/dbraw/zinc/00/13/53/169001353.db2.gz KRMLOVWZUIWBFQ-UHFFFAOYSA-N 0 0 196.250 2.276 10 0 AEAERN Cc1noc(NC(=O)CC2CC2)c1C 335692328 169001382 /nfs/dbraw/zinc/00/13/82/169001382.db2.gz WNKLLDCROPZCIQ-UHFFFAOYSA-N 0 0 194.234 2.030 10 0 AEAERN Cc1noc(NCC(C)C)c1C 83339918 169001589 /nfs/dbraw/zinc/00/15/89/169001589.db2.gz VWLWPSFMXFADDI-UHFFFAOYSA-N 0 0 168.240 2.359 10 0 AEAERN Cc1noc(N)c1-c1ccccc1F 26512381 169001687 /nfs/dbraw/zinc/00/16/87/169001687.db2.gz GRCMZJMSMOUKHM-UHFFFAOYSA-N 0 0 192.193 2.371 10 0 AEAERN Cc1noc(COc2ccsc2)n1 307749099 169001698 /nfs/dbraw/zinc/00/16/98/169001698.db2.gz FHZAEZGYNSYVHY-UHFFFAOYSA-N 0 0 196.231 2.019 10 0 AEAERN Cc1noc(NC2CCCCC2)n1 57353893 169001826 /nfs/dbraw/zinc/00/18/26/169001826.db2.gz IXKAAUQWMJUGTF-UHFFFAOYSA-N 0 0 181.239 2.123 10 0 AEAERN Cc1noc([C@@H]2CCC(C)(C)O2)n1 307197134 169001838 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/nfs/dbraw/zinc/00/26/06/169002606.db2.gz AVWUJYFJIZCQLB-UHFFFAOYSA-N 0 0 175.187 2.257 10 0 AEAERN Cc1noc([C@@]2(C)C[C@@H]3C[C@@H]3C2)n1 306449604 169002782 /nfs/dbraw/zinc/00/27/82/169002782.db2.gz AUQZSAVNZBCBIG-DIYOJNKTSA-N 0 0 178.235 2.066 10 0 AEAERN Cc1noc([C@@H]2C[C@H]2C(C)C)n1 306597472 169002856 /nfs/dbraw/zinc/00/28/56/169002856.db2.gz WKPJPHHRTOHQHZ-JGVFFNPUSA-N 0 0 166.224 2.138 10 0 AEAERN Cc1noc([C@H]2CCC(C)(C)O2)n1 307197133 169003114 /nfs/dbraw/zinc/00/31/14/169003114.db2.gz VEYYVPYSZBKOAG-SSDOTTSWSA-N 0 0 182.223 2.008 10 0 AEAERN Cc1noc([C@@H]2C[C@@H]2C(C)C)n1 306597471 169003164 /nfs/dbraw/zinc/00/31/64/169003164.db2.gz WKPJPHHRTOHQHZ-HTQZYQBOSA-N 0 0 166.224 2.138 10 0 AEAERN Cc1noc([C@H]2C[C@H]2C(C)C)n1 306597474 169003190 /nfs/dbraw/zinc/00/31/90/169003190.db2.gz WKPJPHHRTOHQHZ-YUMQZZPRSA-N 0 0 166.224 2.138 10 0 AEAERN Cc1nocc1-c1cccnc1 39113069 169003271 /nfs/dbraw/zinc/00/32/71/169003271.db2.gz XUNCNWCVSKDGGW-UHFFFAOYSA-N 0 0 160.176 2.045 10 0 AEAERN 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Clc1cccc2c1OCO2 39240401 169024373 /nfs/dbraw/zinc/02/43/73/169024373.db2.gz UHAFYHPCGMJBEJ-UHFFFAOYSA-N 0 0 156.568 2.069 10 0 AEAERN Clc1cccnc1-c1ncc[nH]1 96663630 169024446 /nfs/dbraw/zinc/02/44/46/169024446.db2.gz UIHHAWCLRDRRQG-UHFFFAOYSA-N 0 0 179.610 2.125 10 0 AEAERN Clc1ccccc1[C@H]1NCCCO1 49811819 169024530 /nfs/dbraw/zinc/02/45/30/169024530.db2.gz SHXQXJMHOHFQGM-JTQLQIEISA-N 0 0 197.665 2.349 10 0 AEAERN Clc1ccccc1-c1c[nH]nn1 34049726 169024570 /nfs/dbraw/zinc/02/45/70/169024570.db2.gz PINMMJBKQZJEDY-UHFFFAOYSA-N 0 0 179.610 2.125 10 0 AEAERN Clc1cccc([C@H]2[NH2+]CCCO2)c1 49811821 169024924 /nfs/dbraw/zinc/02/49/24/169024924.db2.gz KCYQZAINULTWQP-JTQLQIEISA-N 0 0 197.665 2.349 10 0 AEAERN Clc1ccccc1NC1COC1 76609016 169024960 /nfs/dbraw/zinc/02/49/60/169024960.db2.gz CWRXQKMDSYVKCT-UHFFFAOYSA-N 0 0 183.638 2.151 10 0 AEAERN Clc1ccccc1[C@@H]1NCCCO1 49811818 169024990 /nfs/dbraw/zinc/02/49/90/169024990.db2.gz SHXQXJMHOHFQGM-SNVBAGLBSA-N 0 0 197.665 2.349 10 0 AEAERN Clc1cccc(-c2ncc[nH]2)n1 96663764 169025055 /nfs/dbraw/zinc/02/50/55/169025055.db2.gz BMWSWAZIPWQQQY-UHFFFAOYSA-N 0 0 179.610 2.125 10 0 AEAERN Clc1ccnc(C2CCOCC2)n1 44122309 169025113 /nfs/dbraw/zinc/02/51/13/169025113.db2.gz HRZLJDQIEFRVBI-UHFFFAOYSA-N 0 0 198.653 2.024 10 0 AEAERN Clc1cccc(NC2CC2)n1 67176009 169025212 /nfs/dbraw/zinc/02/52/12/169025212.db2.gz WSFBQKVPUWJIHI-UHFFFAOYSA-N 0 0 168.627 2.309 10 0 AEAERN Clc1cccnc1NC1CC1 19233450 169025339 /nfs/dbraw/zinc/02/53/39/169025339.db2.gz YAZSBANHTPCSRU-UHFFFAOYSA-N 0 0 168.627 2.309 10 0 AEAERN Clc1ccnc(-c2ncc[nH]2)c1 78683956 169025366 /nfs/dbraw/zinc/02/53/66/169025366.db2.gz YWHUHBKDMQPPAN-UHFFFAOYSA-N 0 0 179.610 2.125 10 0 AEAERN Clc1ccc2snnc2c1 39237084 169025813 /nfs/dbraw/zinc/02/58/13/169025813.db2.gz YXTCCWOYTUETTN-UHFFFAOYSA-N 0 0 170.624 2.345 10 0 AEAERN Clc1cnc(N[C@H]2CC23CC3)nc1 335103536 169025965 /nfs/dbraw/zinc/02/59/65/169025965.db2.gz DIQNDBMPXRBXOI-ZETCQYMHSA-N 0 0 195.653 2.094 10 0 AEAERN Clc1cnc(N[C@@H]2CC23CC3)nc1 335103535 169026111 /nfs/dbraw/zinc/02/61/11/169026111.db2.gz DIQNDBMPXRBXOI-SSDOTTSWSA-N 0 0 195.653 2.094 10 0 AEAERN Clc1ccnc([C@H]2CCCOC2)n1 44122324 169026148 /nfs/dbraw/zinc/02/61/48/169026148.db2.gz NQKFZJVJVWBUTL-ZETCQYMHSA-N 0 0 198.653 2.024 10 0 AEAERN Clc1ccncc1-c1c[nH]cn1 39133045 169026372 /nfs/dbraw/zinc/02/63/72/169026372.db2.gz JSMNNJQSHYSONG-UHFFFAOYSA-N 0 0 179.610 2.125 10 0 AEAERN Clc1cnccc1NC1CC1 71254551 169026398 /nfs/dbraw/zinc/02/63/98/169026398.db2.gz VMARRUMQRGENMX-UHFFFAOYSA-N 0 0 168.627 2.309 10 0 AEAERN Clc1cnc2c(c1)NCCC2 82186079 169026500 /nfs/dbraw/zinc/02/65/00/169026500.db2.gz OJNSESVIQLUESA-UHFFFAOYSA-N 0 0 168.627 2.093 10 0 AEAERN Clc1cnc2ncc(Cl)n2c1 95627206 169026509 /nfs/dbraw/zinc/02/65/09/169026509.db2.gz LCRWVPMPOMSVOB-UHFFFAOYSA-N 0 0 188.017 2.036 10 0 AEAERN Clc1cnc(-c2ccccc2)nn1 39039121 169026516 /nfs/dbraw/zinc/02/65/16/169026516.db2.gz CWLIPEQSMFKRTC-UHFFFAOYSA-N 0 0 191.621 2.192 10 0 AEAERN Clc1cnc2scnc2c1 63772311 169026649 /nfs/dbraw/zinc/02/66/49/169026649.db2.gz XGEOKTPAZVRSAQ-UHFFFAOYSA-N 0 0 170.624 2.345 10 0 AEAERN Clc1ccnc([C@@H]2CCCOC2)n1 44122319 169026770 /nfs/dbraw/zinc/02/67/70/169026770.db2.gz NQKFZJVJVWBUTL-SSDOTTSWSA-N 0 0 198.653 2.024 10 0 AEAERN Clc1ccsc1C1OCCO1 44231048 169026926 /nfs/dbraw/zinc/02/69/26/169026926.db2.gz YYCGNDITHYZYFZ-UHFFFAOYSA-N 0 0 190.651 2.447 10 0 AEAERN Clc1cncc(OC2CCCC2)n1 19415690 169026948 /nfs/dbraw/zinc/02/69/48/169026948.db2.gz XOCMXLXOCSUJIB-UHFFFAOYSA-N 0 0 198.653 2.451 10 0 AEAERN Clc1cnc2[nH]c(C3CC3)nc2c1 57765279 169026950 /nfs/dbraw/zinc/02/69/50/169026950.db2.gz MHLGGJHVLBNAHU-UHFFFAOYSA-N 0 0 193.637 2.489 10 0 AEAERN Clc1cnc(C2CC2)nc1 145833045 169026998 /nfs/dbraw/zinc/02/69/98/169026998.db2.gz JGUZFQHDYVXHGB-UHFFFAOYSA-N 0 0 154.600 2.007 10 0 AEAERN Cln1cnc2ccccc21 34305072 169027199 /nfs/dbraw/zinc/02/71/99/169027199.db2.gz QHPMUZRQTOYDJQ-UHFFFAOYSA-N 0 0 152.584 2.038 10 0 AEAERN Clc1nccc(OC2CCCC2)n1 51848833 169027291 /nfs/dbraw/zinc/02/72/91/169027291.db2.gz JIMLDBDYSDVSCG-UHFFFAOYSA-N 0 0 198.653 2.451 10 0 AEAERN Clc1nncc(-c2ccccc2)n1 39251170 169027323 /nfs/dbraw/zinc/02/73/23/169027323.db2.gz DCZRWXWVUPZXKL-UHFFFAOYSA-N 0 0 191.621 2.192 10 0 AEAERN Clc1nccc(NC2CCC2)n1 52213525 169027361 /nfs/dbraw/zinc/02/73/61/169027361.db2.gz YSXWXNCQPPEAIV-UHFFFAOYSA-N 0 0 183.642 2.094 10 0 AEAERN Clc1nccnc1C1CCOCC1 139760501 169027427 /nfs/dbraw/zinc/02/74/27/169027427.db2.gz BCISXGFGFNPTSF-UHFFFAOYSA-N 0 0 198.653 2.024 10 0 AEAERN Clc1nsnc1NCC1CC1 37372228 169027465 /nfs/dbraw/zinc/02/74/65/169027465.db2.gz UUTBBMCOGBNBLD-UHFFFAOYSA-N 0 0 189.671 2.013 10 0 AEAERN Clc1noc(Cc2ccccc2)n1 95774194 169027509 /nfs/dbraw/zinc/02/75/09/169027509.db2.gz YNZGPOOIFCRBNJ-UHFFFAOYSA-N 0 0 194.621 2.314 10 0 AEAERN Clc1nccc(C2CCC2)n1 72191781 169027566 /nfs/dbraw/zinc/02/75/66/169027566.db2.gz QVNRRVVLYBTXPQ-UHFFFAOYSA-N 0 0 168.627 2.398 10 0 AEAERN Clc1ncc(C2CCC2)cn1 72192096 169027581 /nfs/dbraw/zinc/02/75/81/169027581.db2.gz PWYGDFQSAWKTFY-UHFFFAOYSA-N 0 0 168.627 2.398 10 0 AEAERN Clc1nonc1-c1ccccc1 39414330 169027763 /nfs/dbraw/zinc/02/77/63/169027763.db2.gz XPNVNMPGTQWLOK-UHFFFAOYSA-N 0 0 180.594 2.390 10 0 AEAERN Clc1ncc(-c2ccccn2)cn1 40710662 169027786 /nfs/dbraw/zinc/02/77/86/169027786.db2.gz QKHVYVWUZZAQBC-UHFFFAOYSA-N 0 0 191.621 2.192 10 0 AEAERN Clc1nccc(-c2ccccn2)n1 35307147 169027821 /nfs/dbraw/zinc/02/78/21/169027821.db2.gz WDJPPUNHDVUKKF-UHFFFAOYSA-N 0 0 191.621 2.192 10 0 AEAERN Clc1ncnc(-c2cccs2)n1 146806873 169027863 /nfs/dbraw/zinc/02/78/63/169027863.db2.gz LXNASGWYHICXEY-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN Clc1nnc(Cc2ccccc2)o1 71506932 169027910 /nfs/dbraw/zinc/02/79/10/169027910.db2.gz XFLCINOGDWRVHT-UHFFFAOYSA-N 0 0 194.621 2.314 10 0 AEAERN Clc1nccc(-c2nccs2)n1 34477216 169027927 /nfs/dbraw/zinc/02/79/27/169027927.db2.gz ZXTJGJJEJRAYDP-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN Clc1nsnc1NC1CCC1 52213520 169027936 /nfs/dbraw/zinc/02/79/36/169027936.db2.gz ZHIUBHCLDORRFG-UHFFFAOYSA-N 0 0 189.671 2.156 10 0 AEAERN Clc1nccc(-c2ccncc2)n1 38580125 169028122 /nfs/dbraw/zinc/02/81/22/169028122.db2.gz DBWZTBFSHQDFHR-UHFFFAOYSA-N 0 0 191.621 2.192 10 0 AEAERN Clc1nccc(NC2CCCC2)n1 51849335 169028126 /nfs/dbraw/zinc/02/81/26/169028126.db2.gz RAWKDZURTZRMEB-UHFFFAOYSA-N 0 0 197.669 2.485 10 0 AEAERN Clc1snc2ncccc12 299888940 169028133 /nfs/dbraw/zinc/02/81/33/169028133.db2.gz AUSGEUNEUXMRBN-UHFFFAOYSA-N 0 0 170.624 2.345 10 0 AEAERN Clc1ncnc2cscc12 95760972 169028166 /nfs/dbraw/zinc/02/81/66/169028166.db2.gz LNZNJBWUAWDKPA-UHFFFAOYSA-N 0 0 170.624 2.345 10 0 AEAERN Clc1ncc(-c2ccccc2)nn1 88189313 169028192 /nfs/dbraw/zinc/02/81/92/169028192.db2.gz POSVMUJKVDQWHT-UHFFFAOYSA-N 0 0 191.621 2.192 10 0 AEAERN Clc1nncc(-c2cccs2)n1 82531125 169028205 /nfs/dbraw/zinc/02/82/05/169028205.db2.gz MDMGCAKLGRGNQL-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN Clc1ncc(-c2ccncc2)cn1 47212648 169028213 /nfs/dbraw/zinc/02/82/13/169028213.db2.gz BTHXIKXWLGJYPU-UHFFFAOYSA-N 0 0 191.621 2.192 10 0 AEAERN Clc1nccc2nc(C3CC3)[nH]c12 96311626 169028351 /nfs/dbraw/zinc/02/83/51/169028351.db2.gz FNFKVZRRDRCEMQ-UHFFFAOYSA-N 0 0 193.637 2.489 10 0 AEAERN Clc1nccc(NCC2CCC2)n1 51849471 169028399 /nfs/dbraw/zinc/02/83/99/169028399.db2.gz HHCSHZKBUSWJCH-UHFFFAOYSA-N 0 0 197.669 2.342 10 0 AEAERN Clc1nnc(-c2cccs2)o1 71499950 169028436 /nfs/dbraw/zinc/02/84/36/169028436.db2.gz MVRSSTPNIQVPDU-UHFFFAOYSA-N 0 0 186.623 2.452 10 0 AEAERN Clc1ncccc1-c1c[nH]cn1 39133044 169028472 /nfs/dbraw/zinc/02/84/72/169028472.db2.gz VKJHAVHJSJEZOD-UHFFFAOYSA-N 0 0 179.610 2.125 10 0 AEAERN C[C@@H]1CC(=O)O[C@H]1c1ccccc1 136269561 343978497 /nfs/dbraw/zinc/97/84/97/343978497.db2.gz CKGJWXGCQYJRGY-LDYMZIIASA-N 0 0 176.215 2.311 10 0 AEAERN Cn1c(=O)ccc2cccc(Cl)c21 39121454 169028829 /nfs/dbraw/zinc/02/88/29/169028829.db2.gz XUNDQZVUORIFKR-UHFFFAOYSA-N 0 0 193.633 2.192 10 0 AEAERN Cn1c(=O)c(Cl)cc2ccccc21 39121450 169028898 /nfs/dbraw/zinc/02/88/98/169028898.db2.gz LANBZGCXFMNQML-UHFFFAOYSA-N 0 0 193.633 2.192 10 0 AEAERN Cn1c(=O)[nH]c2cc3ccccc3cc21 2483199 169029142 /nfs/dbraw/zinc/02/91/42/169029142.db2.gz CDBBOEVAPYNBAO-UHFFFAOYSA-N 0 0 198.225 2.020 10 0 AEAERN Cn1c(-c2cccnc2)c[nH]c1=S 33754091 169029204 /nfs/dbraw/zinc/02/92/04/169029204.db2.gz DEUPXTPWWLUQRX-UHFFFAOYSA-N 0 0 191.259 2.145 10 0 AEAERN Cn1c(-c2ccccc2)cccc1=O 174823 169029435 /nfs/dbraw/zinc/02/94/35/169029435.db2.gz LRLNQAGOMZKITL-UHFFFAOYSA-N 0 0 185.226 2.052 10 0 AEAERN Cn1c(C=O)c(Cl)c2cccnc21 82386940 169030435 /nfs/dbraw/zinc/03/04/35/169030435.db2.gz VWVRDJUQKGOGMU-UHFFFAOYSA-N 0 0 194.621 2.039 10 0 AEAERN Cn1c(=S)[nH]c2ccc(F)cc21 52122337 169030484 /nfs/dbraw/zinc/03/04/84/169030484.db2.gz ZWNLXNBWIXSKKZ-UHFFFAOYSA-N 0 0 182.223 2.375 10 0 AEAERN Cn1c(C2CC2)nc2c(N)cccc21 36283798 169030501 /nfs/dbraw/zinc/03/05/01/169030501.db2.gz WDRCSHVABKGQSI-UHFFFAOYSA-N 0 0 187.246 2.033 10 0 AEAERN Cn1c(=S)[nH]c2cccc(F)c21 75952305 169030847 /nfs/dbraw/zinc/03/08/47/169030847.db2.gz YCEUFMGGISLNSG-UHFFFAOYSA-N 0 0 182.223 2.375 10 0 AEAERN Cn1c(C=O)cc2ccnc(Cl)c21 82386935 169030971 /nfs/dbraw/zinc/03/09/71/169030971.db2.gz HUVRTWVUJCTUPI-UHFFFAOYSA-N 0 0 194.621 2.039 10 0 AEAERN Cn1c(=S)[nH]c2c(F)cccc21 37422109 169031026 /nfs/dbraw/zinc/03/10/26/169031026.db2.gz YTMUKFRPIWSVED-UHFFFAOYSA-N 0 0 182.223 2.375 10 0 AEAERN Cn1c(=S)[nH]c2cc(F)ccc21 36890775 169031149 /nfs/dbraw/zinc/03/11/49/169031149.db2.gz AEXBOJMYOLRYML-UHFFFAOYSA-N 0 0 182.223 2.375 10 0 AEAERN Cn1c(C(C)(C)C)c[nH]c1=S 39240959 169031367 /nfs/dbraw/zinc/03/13/67/169031367.db2.gz SLQMCTZUXVCWEN-UHFFFAOYSA-N 0 0 170.281 2.380 10 0 AEAERN Cn1c(C=O)c(Cl)c2cnccc21 82386941 169031480 /nfs/dbraw/zinc/03/14/80/169031480.db2.gz JERBEETWGVVMNV-UHFFFAOYSA-N 0 0 194.621 2.039 10 0 AEAERN Cn1c(C2CC2)nc2ccc(N)cc21 34838578 169031667 /nfs/dbraw/zinc/03/16/67/169031667.db2.gz UJUMECHTRULTNI-UHFFFAOYSA-N 0 0 187.246 2.033 10 0 AEAERN Cn1c(C=O)cc2cc(Cl)ncc21 82386934 169031686 /nfs/dbraw/zinc/03/16/86/169031686.db2.gz JDKWKFDLEWRPTP-UHFFFAOYSA-N 0 0 194.621 2.039 10 0 AEAERN Cn1c(CC2CCCC2)n[nH]c1=S 73739721 169032039 /nfs/dbraw/zinc/03/20/39/169032039.db2.gz XWVOYFPCGBJTAN-UHFFFAOYSA-N 0 0 197.307 2.210 10 0 AEAERN Cn1c(N)ccc1Cc1ccccc1 106572388 169032045 /nfs/dbraw/zinc/03/20/45/169032045.db2.gz TVJWZGVKOFITNG-UHFFFAOYSA-N 0 0 186.258 2.198 10 0 AEAERN Cn1c(Cl)nc2cc(C=O)ccc21 82386931 169032127 /nfs/dbraw/zinc/03/21/27/169032127.db2.gz GUUIESGGOZOHGM-UHFFFAOYSA-N 0 0 194.621 2.039 10 0 AEAERN Cn1c(F)cc2ccccc21 39088371 169032338 /nfs/dbraw/zinc/03/23/38/169032338.db2.gz DPFWUAYMRGTMAM-UHFFFAOYSA-N 0 0 149.168 2.317 10 0 AEAERN Cn1c(Cl)c(CO)c2ccccc21 71464894 169032729 /nfs/dbraw/zinc/03/27/29/169032729.db2.gz HNQSORYMSKANOL-UHFFFAOYSA-N 0 0 195.649 2.324 10 0 AEAERN Cn1c(CF)nc2ccccc21 32500868 169033352 /nfs/dbraw/zinc/03/33/52/169033352.db2.gz LJHXEXKTQLXXRH-UHFFFAOYSA-N 0 0 164.183 2.043 10 0 AEAERN Cn1c(Cl)c(C=O)c2ncccc21 66346048 169033656 /nfs/dbraw/zinc/03/36/56/169033656.db2.gz HNWXWLKEESGGOM-UHFFFAOYSA-N 0 0 194.621 2.039 10 0 AEAERN Cn1c(CO)cc2cc(Cl)ccc21 9239713 169033698 /nfs/dbraw/zinc/03/36/98/169033698.db2.gz ZRGFLEMILCFUJM-UHFFFAOYSA-N 0 0 195.649 2.324 10 0 AEAERN Cn1c(CCCO)cc2ccccc21 44396289 169033733 /nfs/dbraw/zinc/03/37/33/169033733.db2.gz MQYPCMZEPMNLOZ-UHFFFAOYSA-N 0 0 189.258 2.103 10 0 AEAERN Cn1c2ccccc2c2c(=O)[nH]ccc21 34610976 169034371 /nfs/dbraw/zinc/03/43/71/169034371.db2.gz RHHLGJBTMKMCPV-UHFFFAOYSA-N 0 0 198.225 2.020 10 0 AEAERN Cn1cc(-c2cccc(Cl)c2)nn1 82952076 169034588 /nfs/dbraw/zinc/03/45/88/169034588.db2.gz GSCPFGOSWBNYHW-UHFFFAOYSA-N 0 0 193.637 2.136 10 0 AEAERN Cn1cc(-c2ccccc2)ccc1=O 34327886 169034697 /nfs/dbraw/zinc/03/46/97/169034697.db2.gz UKXQELATLFCEMO-UHFFFAOYSA-N 0 0 185.226 2.052 10 0 AEAERN Cn1c2ccc(N)cc2n2cccc12 82392753 169034719 /nfs/dbraw/zinc/03/47/19/169034719.db2.gz BAZAHIQARPIGHU-UHFFFAOYSA-N 0 0 185.230 2.013 10 0 AEAERN Cn1c(SO)nc2ccccc21 95922683 169034842 /nfs/dbraw/zinc/03/48/42/169034842.db2.gz AFPLLMWCJRDRNM-UHFFFAOYSA-N 0 0 180.232 2.138 10 0 AEAERN Cn1c2ccc(O)cc2c2ccncc21 40752819 169034899 /nfs/dbraw/zinc/03/48/99/169034899.db2.gz JRRFUIIDNJTOQQ-UHFFFAOYSA-N 0 0 198.225 2.432 10 0 AEAERN Cn1c2c(c3ccccc31)CCN2 82399970 169034953 /nfs/dbraw/zinc/03/49/53/169034953.db2.gz WQFKAPNROMHWPQ-UHFFFAOYSA-N 0 0 172.231 2.146 10 0 AEAERN CN1C(=S)Cc2ccccc21 100292329 169035214 /nfs/dbraw/zinc/03/52/14/169035214.db2.gz ALZZWJDNSVLEHG-UHFFFAOYSA-N 0 0 163.245 2.467 10 0 AEAERN Cn1c2c(c3ccccc31)CCC2=O 5799144 169035688 /nfs/dbraw/zinc/03/56/88/169035688.db2.gz JHRAQVUUGFXPMG-UHFFFAOYSA-N 0 0 185.226 2.307 10 0 AEAERN Cn1cc(C(=O)C(C)(C)C)cc1C=O 9280516 169036379 /nfs/dbraw/zinc/03/63/79/169036379.db2.gz UJFUXELJNLATBT-UHFFFAOYSA-N 0 0 193.246 2.066 10 0 AEAERN Cn1cc(C(=O)C2CCCCC2)cn1 34977017 169036489 /nfs/dbraw/zinc/03/64/89/169036489.db2.gz FXQXFQYBCWNWQA-UHFFFAOYSA-N 0 0 192.262 2.183 10 0 AEAERN Cn1cc(/C=C/c2ccc(N)cc2)cn1 75601330 169036544 /nfs/dbraw/zinc/03/65/44/169036544.db2.gz KGVFOKMVHVLDTK-NSCUHMNNSA-N 0 0 199.257 2.173 10 0 AEAERN Cn1cc(C(=O)CC(C)(C)C)cn1 36944306 169036759 /nfs/dbraw/zinc/03/67/59/169036759.db2.gz IEOTVAFFQLCVJG-UHFFFAOYSA-N 0 0 180.251 2.039 10 0 AEAERN Cn1cc(C(=O)CC2CCCC2)cn1 38137705 169037131 /nfs/dbraw/zinc/03/71/31/169037131.db2.gz JNSIGCMCCHQIOV-UHFFFAOYSA-N 0 0 192.262 2.183 10 0 AEAERN Cn1cc(/C=C\c2ccc(N)cc2)cn1 216062200 169037179 /nfs/dbraw/zinc/03/71/79/169037179.db2.gz KGVFOKMVHVLDTK-IHWYPQMZSA-N 0 0 199.257 2.173 10 0 AEAERN Cn1cc(C=O)cc1C1CCCC1 82398258 169037888 /nfs/dbraw/zinc/03/78/88/169037888.db2.gz MOGUHIPDFOYTFN-UHFFFAOYSA-N 0 0 177.247 2.495 10 0 AEAERN Cn1cc(CCCO)c2ccccc21 37632560 169038434 /nfs/dbraw/zinc/03/84/34/169038434.db2.gz IOOAOMNVZXMJPY-UHFFFAOYSA-N 0 0 189.258 2.103 10 0 AEAERN Cn1cc(C2CCCCC2)nc1C=O 82388654 169038482 /nfs/dbraw/zinc/03/84/82/169038482.db2.gz QHMBANIUDGCUAF-UHFFFAOYSA-N 0 0 192.262 2.280 10 0 AEAERN Cn1cc(C2CCCCC2)cn1 75841134 169038619 /nfs/dbraw/zinc/03/86/19/169038619.db2.gz BXYMKXISCGITCP-UHFFFAOYSA-N 0 0 164.252 2.468 10 0 AEAERN Cn1cc(C=O)c2cc(Cl)ncc21 82386939 169038764 /nfs/dbraw/zinc/03/87/64/169038764.db2.gz YIRKBRXJJAOSGU-UHFFFAOYSA-N 0 0 194.621 2.039 10 0 AEAERN Cn1cc(C=O)c2sccc21 82403437 169038835 /nfs/dbraw/zinc/03/88/35/169038835.db2.gz NJEJPWUHJCOGLJ-UHFFFAOYSA-N 0 0 165.217 2.052 10 0 AEAERN Cn1cc(C=O)c2cccc(F)c21 58823901 169038939 /nfs/dbraw/zinc/03/89/39/169038939.db2.gz SGYDDLOCFRLLMQ-UHFFFAOYSA-N 0 0 177.178 2.130 10 0 AEAERN Cn1cc(C2CCCC2)cn1 75840508 169039087 /nfs/dbraw/zinc/03/90/87/169039087.db2.gz DYUIYPVLQAZATG-UHFFFAOYSA-N 0 0 150.225 2.078 10 0 AEAERN Cn1cc(CSC2CCC2)cn1 336273409 169040331 /nfs/dbraw/zinc/04/03/31/169040331.db2.gz HTMUMFMMPCXLGY-UHFFFAOYSA-N 0 0 182.292 2.206 10 0 AEAERN Cn1cc(CO)c2cccc(Cl)c21 59731787 169040339 /nfs/dbraw/zinc/04/03/39/169040339.db2.gz GUDSRZVZJAYNMW-UHFFFAOYSA-N 0 0 195.649 2.324 10 0 AEAERN Cn1cc(Cl)ccc1=S 39124490 169040402 /nfs/dbraw/zinc/04/04/02/169040402.db2.gz PZVXLMWOGMZEOW-UHFFFAOYSA-N 0 0 159.641 2.408 10 0 AEAERN Cn1cc(F)c2ccccc21 38282091 169040556 /nfs/dbraw/zinc/04/05/56/169040556.db2.gz CIWXIEGUHNBXGO-UHFFFAOYSA-N 0 0 149.168 2.317 10 0 AEAERN Cn1cc(CO)c2cc(Cl)ccc21 59731779 169040642 /nfs/dbraw/zinc/04/06/42/169040642.db2.gz ASLKFLOGKZYOFG-UHFFFAOYSA-N 0 0 195.649 2.324 10 0 AEAERN Cn1cc([C@@H](O)C2CCCCC2)cn1 42268580 169041483 /nfs/dbraw/zinc/04/14/83/169041483.db2.gz GEAJKFAGIUAGEU-NSHDSACASA-N 0 0 194.278 2.034 10 0 AEAERN Cn1cc(NCC2CCCC2)cn1 50271571 169041547 /nfs/dbraw/zinc/04/15/47/169041547.db2.gz YXPCIXHXACNEQW-UHFFFAOYSA-N 0 0 179.267 2.022 10 0 AEAERN Cn1cc(N[C@H]2C[C@H]3CC[C@@H]2C3)cn1 41047206 169041714 /nfs/dbraw/zinc/04/17/14/169041714.db2.gz DDUCCLXOYUHCCR-NGZCFLSTSA-N 0 0 191.278 2.021 10 0 AEAERN Cn1cc(NCC2(C)CCC2)cn1 306150235 169041901 /nfs/dbraw/zinc/04/19/01/169041901.db2.gz FMHXSMSUPIYWPX-UHFFFAOYSA-N 0 0 179.267 2.022 10 0 AEAERN Cn1cc(N[C@@H]2C[C@H]3CC[C@@H]2C3)cn1 41047205 169042416 /nfs/dbraw/zinc/04/24/16/169042416.db2.gz DDUCCLXOYUHCCR-IQJOONFLSA-N 0 0 191.278 2.021 10 0 AEAERN Cn1cc2c(C=O)c(Cl)ccc2n1 82386927 169042899 /nfs/dbraw/zinc/04/28/99/169042899.db2.gz CBTKPYJNHDWOEU-UHFFFAOYSA-N 0 0 194.621 2.039 10 0 AEAERN Cn1cc2c3c(cccc31)NCC2 34618155 169042929 /nfs/dbraw/zinc/04/29/29/169042929.db2.gz LZDDIWZRRKDTLP-UHFFFAOYSA-N 0 0 172.231 2.146 10 0 AEAERN Cn1cc([C@H](O)C2CCCCC2)cn1 42268577 169043013 /nfs/dbraw/zinc/04/30/13/169043013.db2.gz GEAJKFAGIUAGEU-LLVKDONJSA-N 0 0 194.278 2.034 10 0 AEAERN Cn1ccc(-c2ccc(N)s2)c1 105865736 169043020 /nfs/dbraw/zinc/04/30/20/169043020.db2.gz CLOSUELLRRVHKK-UHFFFAOYSA-N 0 0 178.260 2.336 10 0 AEAERN Cn1cc2c(C=O)ccc(Cl)c2n1 82386928 169043042 /nfs/dbraw/zinc/04/30/42/169043042.db2.gz RTFIEXPRPQGKRD-UHFFFAOYSA-N 0 0 194.621 2.039 10 0 AEAERN Cn1cc2ccccc2c1 6072401 169043415 /nfs/dbraw/zinc/04/34/15/169043415.db2.gz ZLWIMPFRPFWOGK-UHFFFAOYSA-N 0 0 131.178 2.178 10 0 AEAERN Cn1ccc(-c2csc(N)c2)c1 105865733 169043668 /nfs/dbraw/zinc/04/36/68/169043668.db2.gz YBVOYWIXRXZQGT-UHFFFAOYSA-N 0 0 178.260 2.336 10 0 AEAERN Cn1ccc(C(=O)C(C)(C)C)c1 71495860 169044262 /nfs/dbraw/zinc/04/42/62/169044262.db2.gz GVHREJFUXNOOOB-UHFFFAOYSA-N 0 0 165.236 2.254 10 0 AEAERN Cn1ccc(C(=O)C2CCC2)c1 71495724 169044341 /nfs/dbraw/zinc/04/43/41/169044341.db2.gz MNMUTJCYMWPIHB-UHFFFAOYSA-N 0 0 163.220 2.008 10 0 AEAERN Cn1ccc(C(=O)CCC(C)(C)C)n1 39075080 169044441 /nfs/dbraw/zinc/04/44/41/169044441.db2.gz FDLZEIPHDINNQT-UHFFFAOYSA-N 0 0 194.278 2.429 10 0 AEAERN Cn1ccc(C(=O)C2(C)CC2)c1 71495725 169044481 /nfs/dbraw/zinc/04/44/81/169044481.db2.gz OWIOJDYRQAWVCN-UHFFFAOYSA-N 0 0 163.220 2.008 10 0 AEAERN Cn1ccc(/C=C/c2ccc(N)cc2)n1 75601333 169044754 /nfs/dbraw/zinc/04/47/54/169044754.db2.gz VRZKPCZJZZDPHA-QPJJXVBHSA-N 0 0 199.257 2.173 10 0 AEAERN Cn1ccc(=O)c(-c2ccccc2)c1 38540257 169045023 /nfs/dbraw/zinc/04/50/23/169045023.db2.gz JLPJUTBNKUKCTC-UHFFFAOYSA-N 0 0 185.226 2.052 10 0 AEAERN Cn1ccc(C(=O)C2CCCC2)c1 71497324 169045228 /nfs/dbraw/zinc/04/52/28/169045228.db2.gz LLQKOJZAGUIGOE-UHFFFAOYSA-N 0 0 177.247 2.398 10 0 AEAERN Cn1ccc(/C=C\c2ccc(N)cc2)n1 216062451 169045430 /nfs/dbraw/zinc/04/54/30/169045430.db2.gz VRZKPCZJZZDPHA-DAXSKMNVSA-N 0 0 199.257 2.173 10 0 AEAERN Cn1ccc(C2=NC(=S)SC2)c1 71507390 169045765 /nfs/dbraw/zinc/04/57/65/169045765.db2.gz BFHRYLLZUDZHFR-UHFFFAOYSA-N 0 0 196.300 2.437 10 0 AEAERN Cn1ccc(C(=O)c2cccs2)c1 71505747 169045770 /nfs/dbraw/zinc/04/57/70/169045770.db2.gz URTWMCCEFVZLDA-UHFFFAOYSA-N 0 0 191.255 2.318 10 0 AEAERN Cn1ccc2c(=S)[nH]ccc21 45795890 169046228 /nfs/dbraw/zinc/04/62/28/169046228.db2.gz ICACXBPCWRJIRB-UHFFFAOYSA-N 0 0 164.233 2.236 10 0 AEAERN Cn1ccc(N[C@H]2C[C@H]3CC[C@@H]2C3)n1 41047256 169046261 /nfs/dbraw/zinc/04/62/61/169046261.db2.gz XSNDBKKCQWMPEE-AEJSXWLSSA-N 0 0 191.278 2.021 10 0 AEAERN Cn1ccc(CSC2CCC2)n1 335228987 169046393 /nfs/dbraw/zinc/04/63/93/169046393.db2.gz DIWFKZJPIKWAGU-UHFFFAOYSA-N 0 0 182.292 2.206 10 0 AEAERN Cn1ccc2c(F)c(O)ccc21 39128130 169046447 /nfs/dbraw/zinc/04/64/47/169046447.db2.gz FJBJWXFZBYPUSI-UHFFFAOYSA-N 0 0 165.167 2.023 10 0 AEAERN Cn1ccc(N[C@@H]2C[C@H]3CC[C@@H]2C3)n1 41047255 169046662 /nfs/dbraw/zinc/04/66/62/169046662.db2.gz XSNDBKKCQWMPEE-IVZWLZJFSA-N 0 0 191.278 2.021 10 0 AEAERN Cn1ccc2c(C=O)c(Cl)ncc21 82386937 169046999 /nfs/dbraw/zinc/04/69/99/169046999.db2.gz JEIGBDSGPOMUKN-UHFFFAOYSA-N 0 0 194.621 2.039 10 0 AEAERN Cn1ccc(NC(C2CC2)C2CC2)n1 37471906 169047152 /nfs/dbraw/zinc/04/71/52/169047152.db2.gz UYPSXQJSDFNGBA-UHFFFAOYSA-N 0 0 191.278 2.021 10 0 AEAERN Cn1ccc2nc(Cl)c(C=O)cc21 82386936 169047412 /nfs/dbraw/zinc/04/74/12/169047412.db2.gz ATTWFGXHQOECPM-UHFFFAOYSA-N 0 0 194.621 2.039 10 0 AEAERN Cn1cccc1-c1ccncc1 34111665 169047870 /nfs/dbraw/zinc/04/78/70/169047870.db2.gz ARWUQRZAXODZOF-UHFFFAOYSA-N 0 0 158.204 2.087 10 0 AEAERN Cn1ccc2cc(Cl)ccc2c1=O 139343758 169047902 /nfs/dbraw/zinc/04/79/02/169047902.db2.gz MWGOROSLEUGSNV-UHFFFAOYSA-N 0 0 193.633 2.192 10 0 AEAERN Cn1ccc2c1CC(C)(C)C[C@H]2O 41713029 169047979 /nfs/dbraw/zinc/04/79/79/169047979.db2.gz SPIGECYOWKSVRZ-SNVBAGLBSA-N 0 0 179.263 2.031 10 0 AEAERN Cn1ccc2cnc(Cl)c(C=O)c21 82386933 169048054 /nfs/dbraw/zinc/04/80/54/169048054.db2.gz LTYHGGIDNJKDCJ-UHFFFAOYSA-N 0 0 194.621 2.039 10 0 AEAERN Cn1cccc1-c1ccc[nH]1 34721762 169048222 /nfs/dbraw/zinc/04/82/22/169048222.db2.gz QGFLBTZZXUNHAZ-UHFFFAOYSA-N 0 0 146.193 2.020 10 0 AEAERN C[C@H]1CC(=O)O[C@@H]1c1ccccc1 136269519 343978586 /nfs/dbraw/zinc/97/85/86/343978586.db2.gz CKGJWXGCQYJRGY-KWQFWETISA-N 0 0 176.215 2.311 10 0 AEAERN Cn1ccc2c1CC(C)(C)C[C@@H]2O 41713032 169048546 /nfs/dbraw/zinc/04/85/46/169048546.db2.gz SPIGECYOWKSVRZ-JTQLQIEISA-N 0 0 179.263 2.031 10 0 AEAERN Cn1ccc2cccc(Cl)c2c1=O 299889967 169048610 /nfs/dbraw/zinc/04/86/10/169048610.db2.gz RRFQVMADRMYNSP-UHFFFAOYSA-N 0 0 193.633 2.192 10 0 AEAERN Cn1ccc2ccc(F)cc21 39079977 169048638 /nfs/dbraw/zinc/04/86/38/169048638.db2.gz CPNRIIXMZIMPLB-UHFFFAOYSA-N 0 0 149.168 2.317 10 0 AEAERN Cn1ccc2cc(C(C)(C)O)ccc21 75845899 169048703 /nfs/dbraw/zinc/04/87/03/169048703.db2.gz XSGDPMUIKUOYDO-UHFFFAOYSA-N 0 0 189.258 2.406 10 0 AEAERN Cn1ccc2c3c(ccc21)CCN3 38973327 169048731 /nfs/dbraw/zinc/04/87/31/169048731.db2.gz SXIUZTNPVAGKCY-UHFFFAOYSA-N 0 0 172.231 2.146 10 0 AEAERN Cn1cccc1C(=O)C(C)(C)C 116878211 169048754 /nfs/dbraw/zinc/04/87/54/169048754.db2.gz QGFBXOYEYGTKTA-UHFFFAOYSA-N 0 0 165.236 2.254 10 0 AEAERN Cn1cccc1C(=O)c1cccs1 84452794 169048779 /nfs/dbraw/zinc/04/87/79/169048779.db2.gz UEFTXYQIGDEQQP-UHFFFAOYSA-N 0 0 191.255 2.318 10 0 AEAERN Cn1cccc1[C@H]1CCCCO1 39082189 169048925 /nfs/dbraw/zinc/04/89/25/169048925.db2.gz GGGCTBFZNBNLHF-SNVBAGLBSA-N 0 0 165.236 2.267 10 0 AEAERN Cn1cccc1[C@@H]1CCCC(=O)C1 77266733 169049419 /nfs/dbraw/zinc/04/94/19/169049419.db2.gz JKGUTPCZLOBZEN-SECBINFHSA-N 0 0 177.247 2.252 10 0 AEAERN Cn1cccc1[C@@H]1CCCCO1 39082187 169049718 /nfs/dbraw/zinc/04/97/18/169049718.db2.gz GGGCTBFZNBNLHF-JTQLQIEISA-N 0 0 165.236 2.267 10 0 AEAERN Cn1cccc1[C@H]1CCCC(=O)C1 77266738 169050075 /nfs/dbraw/zinc/05/00/75/169050075.db2.gz JKGUTPCZLOBZEN-VIFPVBQESA-N 0 0 177.247 2.252 10 0 AEAERN Cn1ccnc1-c1ccc(F)cc1F 75899080 169050833 /nfs/dbraw/zinc/05/08/33/169050833.db2.gz USNJNDMNYNXNQR-UHFFFAOYSA-N 0 0 194.184 2.365 10 0 AEAERN Cn1ccnc1C1CCCCC1 75841288 169051225 /nfs/dbraw/zinc/05/12/25/169051225.db2.gz YLNMRBLBBSQWQS-UHFFFAOYSA-N 0 0 164.252 2.468 10 0 AEAERN Cn1ccnc1C(=O)CCC(C)(C)C 38973957 169051648 /nfs/dbraw/zinc/05/16/48/169051648.db2.gz VTNWOHWIWMSYHL-UHFFFAOYSA-N 0 0 194.278 2.429 10 0 AEAERN Cn1ccnc1C(=O)CC(C)(C)C 70184073 169051780 /nfs/dbraw/zinc/05/17/80/169051780.db2.gz GTEVAEJFRWJQRA-UHFFFAOYSA-N 0 0 180.251 2.039 10 0 AEAERN Cn1ccnc1C(=O)C1CCCCC1 62720039 169052897 /nfs/dbraw/zinc/05/28/97/169052897.db2.gz LSSRDURPPLQSHC-UHFFFAOYSA-N 0 0 192.262 2.183 10 0 AEAERN Cn1cnc(-c2ccsc2)c1 14946213 169053446 /nfs/dbraw/zinc/05/34/46/169053446.db2.gz BISDRUPVBMQZBH-UHFFFAOYSA-N 0 0 164.233 2.149 10 0 AEAERN Cn1cnc(-c2ccccc2)c1N=O 5116738 169053892 /nfs/dbraw/zinc/05/38/92/169053892.db2.gz GFYCENKHMQJSCM-UHFFFAOYSA-N 0 0 187.202 2.485 10 0 AEAERN Cn1cnc(-c2cccs2)c1 41167845 169053914 /nfs/dbraw/zinc/05/39/14/169053914.db2.gz NQWMOLSDCWPKLQ-UHFFFAOYSA-N 0 0 164.233 2.149 10 0 AEAERN Cn1ccnc1SC1CCC1 306598606 169054108 /nfs/dbraw/zinc/05/41/08/169054108.db2.gz GJPPKKABEKHSKK-UHFFFAOYSA-N 0 0 168.265 2.065 10 0 AEAERN Cn1cnc(/C=C/c2ccccc2)c1N 98180291 169054391 /nfs/dbraw/zinc/05/43/91/169054391.db2.gz ZWSXXDSNMYLSFZ-BQYQJAHWSA-N 0 0 199.257 2.173 10 0 AEAERN Cn1cnc2c3c(ccc21)CCCC3 95932258 169055024 /nfs/dbraw/zinc/05/50/24/169055024.db2.gz OVCSBWKVZFAMEP-UHFFFAOYSA-N 0 0 186.258 2.452 10 0 AEAERN Cn1cnc2c3ncccc3ccc21 95922719 169055126 /nfs/dbraw/zinc/05/51/26/169055126.db2.gz NQKRQRSGLOAOBI-UHFFFAOYSA-N 0 0 183.214 2.122 10 0 AEAERN Cn1cnc(N=O)c1-c1ccccc1 5116748 169055633 /nfs/dbraw/zinc/05/56/33/169055633.db2.gz PSTUZIANXNKPJO-UHFFFAOYSA-N 0 0 187.202 2.485 10 0 AEAERN Cn1cnc2c(Cl)c(C=O)ccc21 82386926 169056151 /nfs/dbraw/zinc/05/61/51/169056151.db2.gz CJKHJWMBMLARBQ-UHFFFAOYSA-N 0 0 194.621 2.039 10 0 AEAERN Cn1cnc2cccc(Cl)c21 76208302 169057693 /nfs/dbraw/zinc/05/76/93/169057693.db2.gz MHLNDZBPMHUSDR-UHFFFAOYSA-N 0 0 166.611 2.227 10 0 AEAERN Cn1cncc1[Si](C)(C)C(C)(C)C 195801178 169058022 /nfs/dbraw/zinc/05/80/22/169058022.db2.gz DSQZEALRJYGJRU-UHFFFAOYSA-N 0 0 196.370 2.136 10 0 AEAERN Cn1nc(-c2ccccc2)[nH]c1=S 13536790 169059621 /nfs/dbraw/zinc/05/96/21/169059621.db2.gz CBNSLHGHYGHNIJ-UHFFFAOYSA-N 0 0 191.259 2.145 10 0 AEAERN Cn1nc(-c2ccccc2)oc1=S 34440578 169060365 /nfs/dbraw/zinc/06/03/65/169060365.db2.gz IHYKGPXSEWWQBW-UHFFFAOYSA-N 0 0 192.243 2.410 10 0 AEAERN O[C@H](c1ccnnc1)C1CCCCC1 136282734 343979027 /nfs/dbraw/zinc/97/90/27/343979027.db2.gz FQVLLORQZBRLNL-NSHDSACASA-N 0 0 192.262 2.090 10 0 AEAERN Cn1ncc(C2CCCCC2)c1N 77267876 169063151 /nfs/dbraw/zinc/06/31/51/169063151.db2.gz XBLAITNFSVUWHX-UHFFFAOYSA-N 0 0 179.267 2.050 10 0 AEAERN Cn1nccc1/C=C\c1ccc(N)cc1 216062398 169066682 /nfs/dbraw/zinc/06/66/82/169066682.db2.gz CGZHPJHZGOMVQQ-DAXSKMNVSA-N 0 0 199.257 2.173 10 0 AEAERN Cn1nccc1/C=C/c1ccc(N)cc1 75601332 169066763 /nfs/dbraw/zinc/06/67/63/169066763.db2.gz CGZHPJHZGOMVQQ-QPJJXVBHSA-N 0 0 199.257 2.173 10 0 AEAERN F/C=C/C1CCC1 238544303 169069183 /nfs/dbraw/zinc/06/91/83/169069183.db2.gz WRFXMBCPMXJYMB-SNAWJCMRSA-N 0 0 100.136 2.270 10 0 AEAERN Cn1nncc1-c1cccc(Cl)c1 82952079 169069318 /nfs/dbraw/zinc/06/93/18/169069318.db2.gz CNEDSNVEEQBLAT-UHFFFAOYSA-N 0 0 193.637 2.136 10 0 AEAERN F/C=C\c1ccccn1 39050575 169069913 /nfs/dbraw/zinc/06/99/13/169069913.db2.gz JWGIGWOWTQYKRQ-PLNGDYQASA-N 0 0 123.130 2.022 10 0 AEAERN FC(F)(F)CNC(C1CC1)C1CC1 36983997 169070800 /nfs/dbraw/zinc/07/08/00/169070800.db2.gz ROJHKKSRHDXCGB-UHFFFAOYSA-N 0 0 193.212 2.327 10 0 AEAERN FC(F)(F)CNC[C@@H]1CC=CCC1 20084377 169070832 /nfs/dbraw/zinc/07/08/32/169070832.db2.gz NGACJMLLJZUNRO-MRVPVSSYSA-N 0 0 193.212 2.495 10 0 AEAERN 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2.101 10 0 AEAERN FCCCCCF 1847495 169079328 /nfs/dbraw/zinc/07/93/28/169079328.db2.gz ZBQFYVZOWLAJKN-UHFFFAOYSA-N 0 0 108.131 2.096 10 0 AEAERN FCCNc1ccnc2cnccc12 306465660 169079331 /nfs/dbraw/zinc/07/93/31/169079331.db2.gz KBDBFCPRTZPXPM-UHFFFAOYSA-N 0 0 191.209 2.011 10 0 AEAERN FCc1cccnc1Cl 37593978 169079750 /nfs/dbraw/zinc/07/97/50/169079750.db2.gz NNQYAHAIOMWJDL-UHFFFAOYSA-N 0 0 145.564 2.205 10 0 AEAERN FN(F)C1CCCCC1 34469105 169079769 /nfs/dbraw/zinc/07/97/69/169079769.db2.gz GSXURFVDOUKCDA-UHFFFAOYSA-N 0 0 135.157 2.390 10 0 AEAERN FCc1nc2ccccc2[nH]1 26466829 169079802 /nfs/dbraw/zinc/07/98/02/169079802.db2.gz SUCVFLDSLQTTCO-UHFFFAOYSA-N 0 0 150.156 2.032 10 0 AEAERN FCc1nccn1Cc1ccccc1 211870248 169079845 /nfs/dbraw/zinc/07/98/45/169079845.db2.gz KJRFBVPCBFTCEZ-UHFFFAOYSA-N 0 0 190.221 2.401 10 0 AEAERN FCc1nc2ccccc2o1 45820533 169079871 /nfs/dbraw/zinc/07/98/71/169079871.db2.gz OVBIXGVULYHQSO-UHFFFAOYSA-N 0 0 151.140 2.297 10 0 AEAERN FC[C@H]1CCCN1c1ccccn1 306541552 169079925 /nfs/dbraw/zinc/07/99/25/169079925.db2.gz SVQASBDZBKIVRI-SECBINFHSA-N 0 0 180.226 2.020 10 0 AEAERN FCc1ccc(Cl)nc1 39050701 169079939 /nfs/dbraw/zinc/07/99/39/169079939.db2.gz BXQQDOSRRXETJE-UHFFFAOYSA-N 0 0 145.564 2.205 10 0 AEAERN FCc1cccc(Br)n1 38416407 169079965 /nfs/dbraw/zinc/07/99/65/169079965.db2.gz OSBHDMWFFSTJRJ-UHFFFAOYSA-N 0 0 190.015 2.314 10 0 AEAERN FNc1ccc(F)cc1F 39088295 169080017 /nfs/dbraw/zinc/08/00/17/169080017.db2.gz TVHNERRLNLBFNN-UHFFFAOYSA-N 0 0 147.099 2.261 10 0 AEAERN F[C@H]1CN(c2ccccc2)C[C@@H]1F 98044318 169080227 /nfs/dbraw/zinc/08/02/27/169080227.db2.gz IUULWKLJIFKRQM-UWVGGRQHSA-N 0 0 183.201 2.183 10 0 AEAERN F[C@H]1CN(C2CCCCC2)C[C@@H]1F 98044316 169080232 /nfs/dbraw/zinc/08/02/32/169080232.db2.gz DSKZPSBKPCMZJX-UWVGGRQHSA-N 0 0 189.249 2.311 10 0 AEAERN F[C@H]1CN(c2ccccc2)C[C@H]1F 90557254 169080376 /nfs/dbraw/zinc/08/03/76/169080376.db2.gz IUULWKLJIFKRQM-AOOOYVTPSA-N 0 0 183.201 2.183 10 0 AEAERN F[C@H]1COC2(CCCCC2)C1 39088761 169080400 /nfs/dbraw/zinc/08/04/00/169080400.db2.gz PSFLDCUMOJBLHQ-MRVPVSSYSA-N 0 0 158.216 2.448 10 0 AEAERN F[C@H]1c2ccccc2O[C@@H]1F 39088675 169080563 /nfs/dbraw/zinc/08/05/63/169080563.db2.gz LNPRWPOAMGTDLD-YUMQZZPRSA-N 0 0 156.131 2.385 10 0 AEAERN F[C@H]1CCc2ccccc2O1 39088490 169080574 /nfs/dbraw/zinc/08/05/74/169080574.db2.gz RDBPNHWQMMBSMZ-SECBINFHSA-N 0 0 152.168 2.307 10 0 AEAERN F[C@H]1CN(CC2CCCC2)C[C@H]1F 336269100 169080582 /nfs/dbraw/zinc/08/05/82/169080582.db2.gz HAJFNNWYHJTMJX-AOOOYVTPSA-N 0 0 189.249 2.168 10 0 AEAERN F[C@H]1CN(C2CCCCC2)C[C@H]1F 98044315 169080641 /nfs/dbraw/zinc/08/06/41/169080641.db2.gz DSKZPSBKPCMZJX-AOOOYVTPSA-N 0 0 189.249 2.311 10 0 AEAERN F[C@H]1Oc2ccccc2[C@H]1F 39088676 169080849 /nfs/dbraw/zinc/08/08/49/169080849.db2.gz LNPRWPOAMGTDLD-SFYZADRCSA-N 0 0 156.131 2.385 10 0 AEAERN Fc1ccc(-c2csnn2)cc1F 253572033 169081123 /nfs/dbraw/zinc/08/11/23/169081123.db2.gz PRRNNBQQTDABCD-UHFFFAOYSA-N 0 0 198.197 2.483 10 0 AEAERN Fc1cc2c(cc1F)OCCCN2 62520440 169081139 /nfs/dbraw/zinc/08/11/39/169081139.db2.gz XKXNSIVEMVNJJQ-UHFFFAOYSA-N 0 0 185.173 2.159 10 0 AEAERN Fc1cc2c(cc1Cl)OCCN2 62520514 169081150 /nfs/dbraw/zinc/08/11/50/169081150.db2.gz QBRADXZVYASSPR-UHFFFAOYSA-N 0 0 187.601 2.283 10 0 AEAERN Fc1ccc(-c2ccncn2)cc1 407454 169081153 /nfs/dbraw/zinc/08/11/53/169081153.db2.gz DPALDESLDSLUGD-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1ccc(-c2ccncc2)c(F)n1 47212775 169081165 /nfs/dbraw/zinc/08/11/65/169081165.db2.gz CEUNBVAOSAAMKK-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN Fc1ccc(-c2cnc(F)nc2)cc1 47204587 169081222 /nfs/dbraw/zinc/08/12/22/169081222.db2.gz XYTBJFJVUUUUQB-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN Fc1ccc(-c2ccncc2)nc1 47213695 169081344 /nfs/dbraw/zinc/08/13/44/169081344.db2.gz VPHVEESZROVMHK-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1ccc(-c2cccnc2)nc1 47213692 169081369 /nfs/dbraw/zinc/08/13/69/169081369.db2.gz ZNWGGQIBPOWQGZ-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1ccc(-c2ncon2)c(F)c1 96102552 169081412 /nfs/dbraw/zinc/08/14/12/169081412.db2.gz IQYLXGFROSIWGU-UHFFFAOYSA-N 0 0 182.129 2.015 10 0 AEAERN Fc1cc2c(c(F)c1F)OCCC2 75882907 169081443 /nfs/dbraw/zinc/08/14/43/169081443.db2.gz QHCRNHWKKGTSDB-UHFFFAOYSA-N 0 0 188.148 2.429 10 0 AEAERN Fc1ccc(-c2cccnc2)cn1 47213731 169081520 /nfs/dbraw/zinc/08/15/20/169081520.db2.gz IJZFKAYCBPKLOB-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1cc(OC2CC2)cc(Cl)n1 95734314 169081651 /nfs/dbraw/zinc/08/16/51/169081651.db2.gz ADWMPVNYSIAUCI-UHFFFAOYSA-N 0 0 187.601 2.415 10 0 AEAERN Fc1ccc(-c2cncnc2)c(F)c1 2563812 169081681 /nfs/dbraw/zinc/08/16/81/169081681.db2.gz ZFNNLNRSABLHKC-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN Fc1ccc(-c2ncc[nH]2)c(F)c1F 82733974 169081726 /nfs/dbraw/zinc/08/17/26/169081726.db2.gz FSMNQUNKDQSSJO-UHFFFAOYSA-N 0 0 198.147 2.494 10 0 AEAERN Fc1ccc(-c2cccnc2)c(F)n1 47212773 169081759 /nfs/dbraw/zinc/08/17/59/169081759.db2.gz VYBDGABSMVRZBX-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN Fc1ccc(-c2nnco2)cc1F 40350608 169081777 /nfs/dbraw/zinc/08/17/77/169081777.db2.gz SFPSEYFYYDEZCW-UHFFFAOYSA-N 0 0 182.129 2.015 10 0 AEAERN Fc1ccc(-c2ccncc2)cn1 47213734 169082144 /nfs/dbraw/zinc/08/21/44/169082144.db2.gz FFFARSDARZFNOI-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1ccc(-c2ccc(F)cn2)nc1 35653910 169082238 /nfs/dbraw/zinc/08/22/38/169082238.db2.gz QGMACLFYKMYCNI-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN Fc1ccc(-c2ncon2)cc1F 96102561 169082257 /nfs/dbraw/zinc/08/22/57/169082257.db2.gz SFBYEPWBJJAGEM-UHFFFAOYSA-N 0 0 182.129 2.015 10 0 AEAERN Fc1ccc(-c2ncccn2)cc1 32220054 169082273 /nfs/dbraw/zinc/08/22/73/169082273.db2.gz OAJZNBBXWMPPNU-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1cc(OC2CC2)c(Cl)cn1 95734330 169082289 /nfs/dbraw/zinc/08/22/89/169082289.db2.gz UUSMNXRRRLGRQI-UHFFFAOYSA-N 0 0 187.601 2.415 10 0 AEAERN Fc1ccc(NC[C@@H]2CCOC2)cc1 19942427 169082506 /nfs/dbraw/zinc/08/25/06/169082506.db2.gz AVFDKURPWAMKEI-VIFPVBQESA-N 0 0 195.237 2.274 10 0 AEAERN Fc1ccc(N2CCCC2)cc1 34540946 169082550 /nfs/dbraw/zinc/08/25/50/169082550.db2.gz IIYRJYZDFOBAKW-UHFFFAOYSA-N 0 0 165.211 2.426 10 0 AEAERN Fc1ccc(OCC2CC2)cn1 34479123 169082551 /nfs/dbraw/zinc/08/25/51/169082551.db2.gz HUYCCEKGVDKDAT-UHFFFAOYSA-N 0 0 167.183 2.010 10 0 AEAERN Fc1ccc(F)c(-c2ncc[nH]2)c1F 75899004 169082554 /nfs/dbraw/zinc/08/25/54/169082554.db2.gz PPORUEWYVWHXIJ-UHFFFAOYSA-N 0 0 198.147 2.494 10 0 AEAERN Fc1ccc(N[C@H]2CCCOC2)cc1 70011461 169082768 /nfs/dbraw/zinc/08/27/68/169082768.db2.gz HPRAPJFKUFLTRG-NSHDSACASA-N 0 0 195.237 2.417 10 0 AEAERN Fc1ccc(-n2cc[nH]c2=S)cc1 100190931 169082805 /nfs/dbraw/zinc/08/28/05/169082805.db2.gz DBKGKQFBGUCVCF-UHFFFAOYSA-N 0 0 194.234 2.001 10 0 AEAERN Fc1ccc(OC[C@@H]2CCCO2)cc1 70233540 169082913 /nfs/dbraw/zinc/08/29/13/169082913.db2.gz DNJUXAOIPJRAGJ-NSHDSACASA-N 0 0 196.221 2.384 10 0 AEAERN Fc1ccc(NC[C@H]2CCOC2)cc1 19942429 169082941 /nfs/dbraw/zinc/08/29/41/169082941.db2.gz AVFDKURPWAMKEI-SECBINFHSA-N 0 0 195.237 2.274 10 0 AEAERN Fc1ccc(NCC(F)(F)F)nc1 41045315 169082972 /nfs/dbraw/zinc/08/29/72/169082972.db2.gz BXXZZWPXCRDETP-UHFFFAOYSA-N 0 0 194.131 2.195 10 0 AEAERN Fc1ccc(N[C@@H]2CCCOC2)cc1 70011459 169082981 /nfs/dbraw/zinc/08/29/81/169082981.db2.gz HPRAPJFKUFLTRG-LLVKDONJSA-N 0 0 195.237 2.417 10 0 AEAERN Fc1ccc(OC2CC2)c(Cl)n1 95734393 169082989 /nfs/dbraw/zinc/08/29/89/169082989.db2.gz LGSJIJZXGOUZAE-UHFFFAOYSA-N 0 0 187.601 2.415 10 0 AEAERN Fc1ccc(NCc2ccc[nH]2)nc1 83341638 169083056 /nfs/dbraw/zinc/08/30/56/169083056.db2.gz IJLJBYHGYZPCOL-UHFFFAOYSA-N 0 0 191.209 2.161 10 0 AEAERN Fc1ccc(OC2CC2)cc1 41393101 169083151 /nfs/dbraw/zinc/08/31/51/169083151.db2.gz DZUOTZAJVIJJOF-UHFFFAOYSA-N 0 0 152.168 2.367 10 0 AEAERN Fc1ccc(Nc2nncs2)cc1 73711060 169083215 /nfs/dbraw/zinc/08/32/15/169083215.db2.gz HWKVKJKFPRNKFE-UHFFFAOYSA-N 0 0 195.222 2.421 10 0 AEAERN Fc1ccc(N(F)F)cc1 39088296 169083257 /nfs/dbraw/zinc/08/32/57/169083257.db2.gz QVQSKRXVDYFFQY-UHFFFAOYSA-N 0 0 147.099 2.401 10 0 AEAERN Fc1ccc(F)c(-c2ncc[nH]2)c1 75898984 169083299 /nfs/dbraw/zinc/08/32/99/169083299.db2.gz GKEVMFBEALKLGQ-UHFFFAOYSA-N 0 0 180.157 2.355 10 0 AEAERN Fc1ccc(Cc2ncc[nH]2)cc1 82733955 169083364 /nfs/dbraw/zinc/08/33/64/169083364.db2.gz DLEZPRCCVUQICQ-UHFFFAOYSA-N 0 0 176.194 2.140 10 0 AEAERN Fc1ccc(CNc2ncco2)cc1 8699331 169083397 /nfs/dbraw/zinc/08/33/97/169083397.db2.gz OMBFGKMEXKJNSF-UHFFFAOYSA-N 0 0 192.193 2.426 10 0 AEAERN Fc1ccc(NC2CSC2)cc1 76607991 169083476 /nfs/dbraw/zinc/08/34/76/169083476.db2.gz QIKXPIWHFMVULC-UHFFFAOYSA-N 0 0 183.251 2.353 10 0 AEAERN Fc1ccc(Nc2cncnc2)cc1 82714859 169083587 /nfs/dbraw/zinc/08/35/87/169083587.db2.gz IRXWFGVDPXHTFO-UHFFFAOYSA-N 0 0 189.193 2.359 10 0 AEAERN Fc1ccc(CNc2cn[nH]c2)cc1 35764087 169083593 /nfs/dbraw/zinc/08/35/93/169083593.db2.gz QUPQPJDFYJFJDJ-UHFFFAOYSA-N 0 0 191.209 2.161 10 0 AEAERN Fc1ccc(NC[C@H]2CCCO2)cc1 20051894 169083628 /nfs/dbraw/zinc/08/36/28/169083628.db2.gz UZLKFVUORFPRPB-LLVKDONJSA-N 0 0 195.237 2.417 10 0 AEAERN Fc1ccc(OC[C@H]2CCCO2)cc1 70233542 169083633 /nfs/dbraw/zinc/08/36/33/169083633.db2.gz DNJUXAOIPJRAGJ-LLVKDONJSA-N 0 0 196.221 2.384 10 0 AEAERN Fc1ccc(N[C@H]2C[C@@H]3C[C@@H]3C2)nc1 306581450 169083641 /nfs/dbraw/zinc/08/36/41/169083641.db2.gz OPTUZJJGUSOHHV-DIYOJNKTSA-N 0 0 192.237 2.431 10 0 AEAERN Fc1ccc(Cc2ncc[nH]2)cc1F 82733967 169083703 /nfs/dbraw/zinc/08/37/03/169083703.db2.gz NDWCMNGDARDFMV-UHFFFAOYSA-N 0 0 194.184 2.279 10 0 AEAERN Fc1ccc(NC[C@@H]2CCCO2)cc1 20051892 169083791 /nfs/dbraw/zinc/08/37/91/169083791.db2.gz UZLKFVUORFPRPB-NSHDSACASA-N 0 0 195.237 2.417 10 0 AEAERN Fc1ccc(CNC(F)(F)F)cc1 95077122 169083796 /nfs/dbraw/zinc/08/37/96/169083796.db2.gz JBRUYEORRDBUFV-UHFFFAOYSA-N 0 0 193.143 2.435 10 0 AEAERN Fc1ccc2c(c1)NC[C@H]1CCCN21 49454335 169083973 /nfs/dbraw/zinc/08/39/73/169083973.db2.gz XIUMJBXAOFMTKX-SECBINFHSA-N 0 0 192.237 2.220 10 0 AEAERN Fc1ccc2c(c1)NCCCO2 62498555 169084004 /nfs/dbraw/zinc/08/40/04/169084004.db2.gz RPCAKSPUGHXXSL-UHFFFAOYSA-N 0 0 167.183 2.020 10 0 AEAERN Fc1ccc2c(c1)C=CCO2 39941618 169084059 /nfs/dbraw/zinc/08/40/59/169084059.db2.gz JZVYKRTWKMZJMX-UHFFFAOYSA-N 0 0 150.152 2.231 10 0 AEAERN Fc1ccc2c(c1)-c1oncc1CO2 2548762 169084071 /nfs/dbraw/zinc/08/40/71/169084071.db2.gz HLXGFCLKWCQDRJ-UHFFFAOYSA-N 0 0 191.161 2.373 10 0 AEAERN Fc1ccc2c(c1)CC(=S)N2 21990038 169084196 /nfs/dbraw/zinc/08/41/96/169084196.db2.gz VCKVKQRAZHSKQY-UHFFFAOYSA-N 0 0 167.208 2.121 10 0 AEAERN Fc1ccc2c(c1)C=CCN2 71479728 169084355 /nfs/dbraw/zinc/08/43/55/169084355.db2.gz MBPSCLYPMOPAAT-UHFFFAOYSA-N 0 0 149.168 2.264 10 0 AEAERN Fc1ccc2c(Cl)[nH]nc2c1F 14985838 169084417 /nfs/dbraw/zinc/08/44/17/169084417.db2.gz QNOUURXTRUTJRZ-UHFFFAOYSA-N 0 0 188.564 2.495 10 0 in-vitro AEAERN Fc1ccc2c(c1)N1CCC[C@@H]1CN2 76635421 169084475 /nfs/dbraw/zinc/08/44/75/169084475.db2.gz OUFGEWDWXCVNKH-SECBINFHSA-N 0 0 192.237 2.220 10 0 AEAERN Fc1ccc2c(c1)-c1n[nH]cc1CO2 14808200 169084626 /nfs/dbraw/zinc/08/46/26/169084626.db2.gz AELQBNTZBTYVAK-UHFFFAOYSA-N 0 0 190.177 2.108 10 0 AEAERN Fc1ccc2c(c1)NCCCN2 76595462 169084683 /nfs/dbraw/zinc/08/46/83/169084683.db2.gz RWBNVTSAIAMXQM-UHFFFAOYSA-N 0 0 166.199 2.053 10 0 AEAERN Fc1ccc2c(c1F)SCCN2 19615800 169084759 /nfs/dbraw/zinc/08/47/59/169084759.db2.gz VHZOBKVHKKEZHC-UHFFFAOYSA-N 0 0 187.214 2.482 10 0 AEAERN Fc1ccc2nc3c(cc2c1)CCN3 11847798 169084831 /nfs/dbraw/zinc/08/48/31/169084831.db2.gz BCQWTBWRSDOYKB-UHFFFAOYSA-N 0 0 188.205 2.342 10 0 AEAERN Fc1ccc2c(c1)N1CCC[C@H]1CN2 76635424 169084893 /nfs/dbraw/zinc/08/48/93/169084893.db2.gz OUFGEWDWXCVNKH-VIFPVBQESA-N 0 0 192.237 2.220 10 0 AEAERN Fc1ccc2c(c1)NC(=S)C2 21990048 169084912 /nfs/dbraw/zinc/08/49/12/169084912.db2.gz CYLRHRUQWNLZDC-UHFFFAOYSA-N 0 0 167.208 2.121 10 0 AEAERN Fc1ccc2c(c1)OCC=C2 39088419 169084921 /nfs/dbraw/zinc/08/49/21/169084921.db2.gz COLRICOIAPLURA-UHFFFAOYSA-N 0 0 150.152 2.231 10 0 AEAERN Fc1ccc2c(c1F)NCCCN2 76628321 169085011 /nfs/dbraw/zinc/08/50/11/169085011.db2.gz YLDDNYPJVUIIPH-UHFFFAOYSA-N 0 0 184.189 2.192 10 0 AEAERN Fc1ccc2c(c1)CC=CCO2 39941623 169085068 /nfs/dbraw/zinc/08/50/68/169085068.db2.gz CWFMMRYZJZQZOQ-UHFFFAOYSA-N 0 0 164.179 2.317 10 0 AEAERN Fc1ccc2c(c1)NC[C@@H]1CCCN21 49454336 169085229 /nfs/dbraw/zinc/08/52/29/169085229.db2.gz XIUMJBXAOFMTKX-VIFPVBQESA-N 0 0 192.237 2.220 10 0 AEAERN Fc1cccc(NC2CCC2)n1 52213536 169085362 /nfs/dbraw/zinc/08/53/62/169085362.db2.gz ATIJLRNOPNYSKW-UHFFFAOYSA-N 0 0 166.199 2.185 10 0 AEAERN Fc1cccc(NCc2ccc[nH]2)n1 83341639 169085419 /nfs/dbraw/zinc/08/54/19/169085419.db2.gz CNVDZCOQARWVQI-UHFFFAOYSA-N 0 0 191.209 2.161 10 0 AEAERN Fc1cccc(N[C@H]2CCCOC2)c1 70011419 169085571 /nfs/dbraw/zinc/08/55/71/169085571.db2.gz GHBBNAPIAGTCEF-NSHDSACASA-N 0 0 195.237 2.417 10 0 AEAERN Fc1cccc(N2C[C@H]3CC[C@@H]2C3)n1 42417143 169085577 /nfs/dbraw/zinc/08/55/77/169085577.db2.gz JOGAMWMEGFUIAW-DTWKUNHWSA-N 0 0 192.237 2.209 10 0 AEAERN Fc1cccc(NC[C@@H]2CCCO2)c1 20051074 169085614 /nfs/dbraw/zinc/08/56/14/169085614.db2.gz MBDCJUPGRZBBFZ-NSHDSACASA-N 0 0 195.237 2.417 10 0 AEAERN Fc1cccc(NC[C@@H]2CCOC2)c1 19920921 169085616 /nfs/dbraw/zinc/08/56/16/169085616.db2.gz FWBDNCSMPCSCKD-VIFPVBQESA-N 0 0 195.237 2.274 10 0 AEAERN Fc1cccc(-c2ncco2)c1 58517921 169085637 /nfs/dbraw/zinc/08/56/37/169085637.db2.gz AXBAWJAYIVLXCC-UHFFFAOYSA-N 0 0 163.151 2.481 10 0 AEAERN Fc1cccc(OCC2CC2)n1 40711344 169085655 /nfs/dbraw/zinc/08/56/55/169085655.db2.gz FUYOQABZCWFOOE-UHFFFAOYSA-N 0 0 167.183 2.010 10 0 AEAERN Fc1cccc(-c2ncon2)c1F 96102558 169085795 /nfs/dbraw/zinc/08/57/95/169085795.db2.gz PNLAKGHYDMGFII-UHFFFAOYSA-N 0 0 182.129 2.015 10 0 AEAERN Fc1cccc(NC[C@H]2CCCO2)c1 20051077 169085813 /nfs/dbraw/zinc/08/58/13/169085813.db2.gz MBDCJUPGRZBBFZ-LLVKDONJSA-N 0 0 195.237 2.417 10 0 AEAERN Fc1cccc(Oc2cccnc2)n1 40711443 169085867 /nfs/dbraw/zinc/08/58/67/169085867.db2.gz LANXDGRMAWXKCR-UHFFFAOYSA-N 0 0 190.177 2.408 10 0 AEAERN Fc1cccc(N[C@@H]2CCCOC2)c1 70011416 169085901 /nfs/dbraw/zinc/08/59/01/169085901.db2.gz GHBBNAPIAGTCEF-LLVKDONJSA-N 0 0 195.237 2.417 10 0 AEAERN Fc1cccc(CNC(F)(F)F)c1 95077127 169085907 /nfs/dbraw/zinc/08/59/07/169085907.db2.gz HXIOJBAKBPDBKB-UHFFFAOYSA-N 0 0 193.143 2.435 10 0 AEAERN Fc1cccc(-c2ncc[nH]2)c1F 75898982 169085912 /nfs/dbraw/zinc/08/59/12/169085912.db2.gz LTJCSZRCZISYNY-UHFFFAOYSA-N 0 0 180.157 2.355 10 0 AEAERN Fc1cccc(CNc2ncco2)c1 16082897 169085940 /nfs/dbraw/zinc/08/59/40/169085940.db2.gz JJTSCTXZEGZUJE-UHFFFAOYSA-N 0 0 192.193 2.426 10 0 AEAERN Fc1cccc(-c2cnc(F)nc2)c1 47204586 169085948 /nfs/dbraw/zinc/08/59/48/169085948.db2.gz IDELMABCQBXVPA-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN Fc1cccc(NC2CC2)c1 82710780 169085981 /nfs/dbraw/zinc/08/59/81/169085981.db2.gz SBHLLILROMUCGG-UHFFFAOYSA-N 0 0 151.184 2.400 10 0 AEAERN Fc1cccc(OCc2ccco2)n1 40711309 169086125 /nfs/dbraw/zinc/08/61/25/169086125.db2.gz VQGONDAYGHFAID-UHFFFAOYSA-N 0 0 193.177 2.393 10 0 AEAERN Fc1cccc(-c2ncccn2)c1 32220055 169086224 /nfs/dbraw/zinc/08/62/24/169086224.db2.gz AWFZHOCQRKLVCJ-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1cccc(N2CCCC2)c1 34437562 169086293 /nfs/dbraw/zinc/08/62/93/169086293.db2.gz ZZFARUSNHHPINW-UHFFFAOYSA-N 0 0 165.211 2.426 10 0 AEAERN Fc1cccc(C2=NCCC2)c1 28104651 169086354 /nfs/dbraw/zinc/08/63/54/169086354.db2.gz DKVORXXCYFHXCN-UHFFFAOYSA-N 0 0 163.195 2.409 10 0 AEAERN Fc1cccc(-c2c[nH]cn2)c1 39132755 169086519 /nfs/dbraw/zinc/08/65/19/169086519.db2.gz JCZROCCJDLYESM-UHFFFAOYSA-N 0 0 162.167 2.216 10 0 AEAERN Fc1cccc(CNc2cn[nH]c2)c1 35764072 169086564 /nfs/dbraw/zinc/08/65/64/169086564.db2.gz YSPPZQHCEYRQMH-UHFFFAOYSA-N 0 0 191.209 2.161 10 0 AEAERN Fc1cccc(-n2cc(Cl)cn2)n1 40712317 169086582 /nfs/dbraw/zinc/08/65/82/169086582.db2.gz LVGVDIPPYGKLTG-UHFFFAOYSA-N 0 0 197.600 2.060 10 0 AEAERN Fc1cccc(OCC(F)(F)F)n1 40711308 169086744 /nfs/dbraw/zinc/08/67/44/169086744.db2.gz FOAJBGJFUOVPSU-UHFFFAOYSA-N 0 0 195.115 2.162 10 0 AEAERN Fc1cccc(NC[C@H]2CCOC2)c1 19920923 169086769 /nfs/dbraw/zinc/08/67/69/169086769.db2.gz FWBDNCSMPCSCKD-SECBINFHSA-N 0 0 195.237 2.274 10 0 AEAERN Fc1cccc(NCC(F)(F)F)n1 40711930 169086863 /nfs/dbraw/zinc/08/68/63/169086863.db2.gz SGRBGEWLWNZVKS-UHFFFAOYSA-N 0 0 194.131 2.195 10 0 AEAERN Fc1cccc2c1CCCO2 24624758 169087093 /nfs/dbraw/zinc/08/70/93/169087093.db2.gz ANYZMXUVTIZXEJ-UHFFFAOYSA-N 0 0 152.168 2.151 10 0 AEAERN Fc1cccc2c1OCCCN2 62498556 169087177 /nfs/dbraw/zinc/08/71/77/169087177.db2.gz REJAAWGLHSULHD-UHFFFAOYSA-N 0 0 167.183 2.020 10 0 AEAERN Fc1ccccc1-c1ncccn1 47204937 169087236 /nfs/dbraw/zinc/08/72/36/169087236.db2.gz SVZQFHONWNWKSJ-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1ccccc1NC[C@H]1CCCO1 20052400 169087297 /nfs/dbraw/zinc/08/72/97/169087297.db2.gz IHJZPTQQYOFETG-SECBINFHSA-N 0 0 195.237 2.417 10 0 AEAERN Fc1ccccc1NC[C@@H]1CCOC1 19944669 169087315 /nfs/dbraw/zinc/08/73/15/169087315.db2.gz NEHNFQCUSVKXLO-VIFPVBQESA-N 0 0 195.237 2.274 10 0 AEAERN Fc1cccc2c1NCC=C2 24629058 169087351 /nfs/dbraw/zinc/08/73/51/169087351.db2.gz ILVKWERMTAOROF-UHFFFAOYSA-N 0 0 149.168 2.264 10 0 AEAERN Fc1ccccc1CNC(F)(F)F 95077092 169087389 /nfs/dbraw/zinc/08/73/89/169087389.db2.gz VGOARNGPBOSMTO-UHFFFAOYSA-N 0 0 193.143 2.435 10 0 AEAERN Fc1cccc2[nH]c(=S)[nH]c12 34260955 169087391 /nfs/dbraw/zinc/08/73/91/169087391.db2.gz CSDBFIYGLRXUDX-UHFFFAOYSA-N 0 0 168.196 2.365 10 0 AEAERN Fc1cccc2c1Cc1c[nH]nc1-2 14808171 169087441 /nfs/dbraw/zinc/08/74/41/169087441.db2.gz KDGVGUPIYHNXRP-UHFFFAOYSA-N 0 0 174.178 2.120 10 0 AEAERN Fc1cccc2c1NC[C@H]1CCCN21 76635417 169087489 /nfs/dbraw/zinc/08/74/89/169087489.db2.gz HYUWPGHGLGJVET-MRVPVSSYSA-N 0 0 192.237 2.220 10 0 AEAERN Fc1ccccc1N[C@@H]1CCCOC1 70011481 169087514 /nfs/dbraw/zinc/08/75/14/169087514.db2.gz OTXIORFGVRZNQL-SECBINFHSA-N 0 0 195.237 2.417 10 0 AEAERN Fc1ccccc1N[C@H]1CCCOC1 70011484 169087518 /nfs/dbraw/zinc/08/75/18/169087518.db2.gz OTXIORFGVRZNQL-VIFPVBQESA-N 0 0 195.237 2.417 10 0 AEAERN Fc1ccccc1Cc1c[nH]cn1 104397279 169087659 /nfs/dbraw/zinc/08/76/59/169087659.db2.gz NEPNPHXNOIRMIY-UHFFFAOYSA-N 0 0 176.194 2.140 10 0 AEAERN Fc1ccccc1NC[C@H]1CCOC1 19944671 169087753 /nfs/dbraw/zinc/08/77/53/169087753.db2.gz NEHNFQCUSVKXLO-SECBINFHSA-N 0 0 195.237 2.274 10 0 AEAERN Fc1cccc2oc(N3CCC3)nc12 336599576 169087759 /nfs/dbraw/zinc/08/77/59/169087759.db2.gz PKGXOXJGFCBKLZ-UHFFFAOYSA-N 0 0 192.193 2.177 10 0 AEAERN Fc1ccccc1Nc1cncnc1 82714810 169087773 /nfs/dbraw/zinc/08/77/73/169087773.db2.gz DGNZUSBNOFSWEW-UHFFFAOYSA-N 0 0 189.193 2.359 10 0 AEAERN Fc1cccc2c1CC=C2 71259688 169087838 /nfs/dbraw/zinc/08/78/38/169087838.db2.gz IDCSPTACTGMXON-UHFFFAOYSA-N 0 0 134.153 2.395 10 0 AEAERN Fc1cccc2c1N1CCC[C@H]1CN2 82388777 169087854 /nfs/dbraw/zinc/08/78/54/169087854.db2.gz DVOJTXHQRVDLBH-QMMMGPOBSA-N 0 0 192.237 2.220 10 0 AEAERN Fc1ccccc1NC1CC1 39088450 169088021 /nfs/dbraw/zinc/08/80/21/169088021.db2.gz BKVOKBWPEPCSAU-UHFFFAOYSA-N 0 0 151.184 2.400 10 0 AEAERN Fc1ccccc1-c1cncnc1 47204938 169088058 /nfs/dbraw/zinc/08/80/58/169088058.db2.gz ZAPQSTKNEXUBRC-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1cccc2cc3c(nc12)NCC3 11847797 169088095 /nfs/dbraw/zinc/08/80/95/169088095.db2.gz FAMZNUDNWISFGN-UHFFFAOYSA-N 0 0 188.205 2.342 10 0 AEAERN Fc1ccccc1N1CCCC1 34540944 169088142 /nfs/dbraw/zinc/08/81/42/169088142.db2.gz VPAGOQYPOVMZAI-UHFFFAOYSA-N 0 0 165.211 2.426 10 0 AEAERN Fc1ccccc1NC1CSC1 76607992 169088224 /nfs/dbraw/zinc/08/82/24/169088224.db2.gz YPODQOGLBPUPCR-UHFFFAOYSA-N 0 0 183.251 2.353 10 0 AEAERN Fc1cccc2c1NC[C@@H]1CCCN21 76635420 169088286 /nfs/dbraw/zinc/08/82/86/169088286.db2.gz HYUWPGHGLGJVET-QMMMGPOBSA-N 0 0 192.237 2.220 10 0 AEAERN Fc1ccccc1NC[C@@H]1CCCO1 20052399 169088329 /nfs/dbraw/zinc/08/83/29/169088329.db2.gz IHJZPTQQYOFETG-VIFPVBQESA-N 0 0 195.237 2.417 10 0 AEAERN Fc1ccccc1C1OCCCO1 39120304 169088345 /nfs/dbraw/zinc/08/83/45/169088345.db2.gz PPZUYKPRURNBTQ-UHFFFAOYSA-N 0 0 182.194 2.261 10 0 AEAERN Fc1cccc2c1OCC=C2 24629387 169088351 /nfs/dbraw/zinc/08/83/51/169088351.db2.gz VVVXMENULRHTNK-UHFFFAOYSA-N 0 0 150.152 2.231 10 0 AEAERN Fc1cccc2c1NCCCN2 76595460 169088441 /nfs/dbraw/zinc/08/84/41/169088441.db2.gz ZOUJXHCSSPKFAT-UHFFFAOYSA-N 0 0 166.199 2.053 10 0 AEAERN Fc1cnc(Cl)cc1OC1CC1 95734296 169088748 /nfs/dbraw/zinc/08/87/48/169088748.db2.gz VEUPRBIKCJQODE-UHFFFAOYSA-N 0 0 187.601 2.415 10 0 AEAERN Fc1cncc(-c2ccncc2)c1 47213718 169088792 /nfs/dbraw/zinc/08/87/92/169088792.db2.gz HJVKBVDWIXQDPV-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1cnc(F)c(-c2ccncc2)c1 47212771 169088797 /nfs/dbraw/zinc/08/87/97/169088797.db2.gz NHQMYKOVGYOYEE-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN Fc1ccnc(-c2ccncc2)c1 47216336 169088839 /nfs/dbraw/zinc/08/88/39/169088839.db2.gz NNDUHMNXXWJOOK-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1cnc(-c2ccccc2)nc1 32220026 169088896 /nfs/dbraw/zinc/08/88/96/169088896.db2.gz LTVJIDCNOKFLLH-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1cccnc1N[C@H]1C[C@@H]2C[C@@H]2C1 307495966 169088905 /nfs/dbraw/zinc/08/89/05/169088905.db2.gz JWZIDLFBUMPOPJ-AYMMMOKOSA-N 0 0 192.237 2.431 10 0 AEAERN Fc1cccnc1-c1ccncc1 47213689 169089003 /nfs/dbraw/zinc/08/90/03/169089003.db2.gz KFVMGDBTIUKZFF-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1ccnc(-c2ccccn2)c1 196912778 169089058 /nfs/dbraw/zinc/08/90/58/169089058.db2.gz AATURXISYOGYDR-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1ccnc(Cl)c1OC1CC1 95734281 169089101 /nfs/dbraw/zinc/08/91/01/169089101.db2.gz QRFLKCHWRNCKQK-UHFFFAOYSA-N 0 0 187.601 2.415 10 0 AEAERN Fc1cccnc1-c1cccnc1 47213686 169089107 /nfs/dbraw/zinc/08/91/07/169089107.db2.gz WIDKBQFTDQHKRY-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1cnc2sc(Cl)nc2c1 95761749 169089117 /nfs/dbraw/zinc/08/91/17/169089117.db2.gz PJMGQTJSCVPASY-UHFFFAOYSA-N 0 0 188.614 2.484 10 0 AEAERN Fc1cnc(Cl)c(OC2CC2)c1 95734294 169089139 /nfs/dbraw/zinc/08/91/39/169089139.db2.gz MWXNQJOPLKBWRU-UHFFFAOYSA-N 0 0 187.601 2.415 10 0 AEAERN Fc1cnccc1-c1cccnc1 47213727 169089146 /nfs/dbraw/zinc/08/91/46/169089146.db2.gz FRVFEYGMPZJOOG-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1cnc(F)c(-c2cccnc2)c1 47212769 169089186 /nfs/dbraw/zinc/08/91/86/169089186.db2.gz CYQCJFYPZSEOJM-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN Fc1cnc(-c2cccnc2)c(F)c1 47212765 169089207 /nfs/dbraw/zinc/08/92/07/169089207.db2.gz ZVDFMLUPINVQIB-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN Fc1cnc(-c2ccncc2)c(F)c1 47212767 169089224 /nfs/dbraw/zinc/08/92/24/169089224.db2.gz MZPWLEUMUSQDMU-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN Fc1cncc(OC2CC2)c1Cl 95734437 169089286 /nfs/dbraw/zinc/08/92/86/169089286.db2.gz BVDYEBYIBBVZAO-UHFFFAOYSA-N 0 0 187.601 2.415 10 0 AEAERN Fc1nc(C(F)(F)F)cs1 147909434 169089294 /nfs/dbraw/zinc/08/92/94/169089294.db2.gz UNAMLJUNMSFGOL-UHFFFAOYSA-N 0 0 171.118 2.301 10 0 AEAERN Fc1ccnc(-c2cccnc2)c1 47216334 169089529 /nfs/dbraw/zinc/08/95/29/169089529.db2.gz YLFMWCNKADCLMU-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1ccncc1-c1ccncc1 47213712 169089609 /nfs/dbraw/zinc/08/96/09/169089609.db2.gz QXJAZOVRNJNJLJ-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1cncc(Cl)c1OC(F)F 47203171 169089615 /nfs/dbraw/zinc/08/96/15/169089615.db2.gz UKHGXXDZIGFOMY-UHFFFAOYSA-N 0 0 197.543 2.476 10 0 AEAERN Fc1cnc(OC(F)F)c(Cl)c1 47203169 169089620 /nfs/dbraw/zinc/08/96/20/169089620.db2.gz FIYSBHDREGZFSO-UHFFFAOYSA-N 0 0 197.543 2.476 10 0 AEAERN Fc1cncc(F)c1-c1ccncc1 47212778 169089676 /nfs/dbraw/zinc/08/96/76/169089676.db2.gz DZKGBADNODEWFW-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN Fc1ccncc1-c1cccnc1 47213709 169089763 /nfs/dbraw/zinc/08/97/63/169089763.db2.gz LPMVOYHHGZUYBX-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1cnn(Cc2ccccc2)c1 299889777 169089812 /nfs/dbraw/zinc/08/98/12/169089812.db2.gz OOPYYIANILNBMX-UHFFFAOYSA-N 0 0 176.194 2.071 10 0 AEAERN Fc1nc(Cl)ccc1OC1CC1 95742227 169089840 /nfs/dbraw/zinc/08/98/40/169089840.db2.gz BCMOSXPEYGXSSQ-UHFFFAOYSA-N 0 0 187.601 2.415 10 0 AEAERN Fc1cnc2nc(Cl)sc2c1 89229336 169089856 /nfs/dbraw/zinc/08/98/56/169089856.db2.gz OPBVPNQFSSSHHJ-UHFFFAOYSA-N 0 0 188.614 2.484 10 0 AEAERN Fc1ccnc(-c2ccccc2)n1 32220027 169089863 /nfs/dbraw/zinc/08/98/63/169089863.db2.gz QOQLRJAGMWSOPK-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1cnc(-c2ccccc2)o1 39088991 169089872 /nfs/dbraw/zinc/08/98/72/169089872.db2.gz YIZFAMHJQUFFDN-UHFFFAOYSA-N 0 0 163.151 2.481 10 0 AEAERN Fc1nc(Cl)c(F)c(F)c1F 32222773 169089891 /nfs/dbraw/zinc/08/98/91/169089891.db2.gz PZKCMMYXVQQOKQ-UHFFFAOYSA-N 0 0 185.507 2.291 10 0 AEAERN Fc1cncc(Cl)c1OC1CC1 95734308 169089896 /nfs/dbraw/zinc/08/98/96/169089896.db2.gz SSCRLFKYYDRUDI-UHFFFAOYSA-N 0 0 187.601 2.415 10 0 AEAERN Fc1ncc(-c2ccccc2F)cn1 47204585 169090064 /nfs/dbraw/zinc/09/00/64/169090064.db2.gz OLPBGBCXZDTRPS-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN Fc1ncccc1-c1cccnc1 47213703 169090117 /nfs/dbraw/zinc/09/01/17/169090117.db2.gz RJLWIOGINNMDGK-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1ncc(Cl)cc1OC1CC1 95734332 169090119 /nfs/dbraw/zinc/09/01/19/169090119.db2.gz QPBOLRMVJZJYFX-UHFFFAOYSA-N 0 0 187.601 2.415 10 0 AEAERN Fc1nccc(OC2CC2)c1Cl 95734470 169090170 /nfs/dbraw/zinc/09/01/70/169090170.db2.gz DVADTFXQXLIDHA-UHFFFAOYSA-N 0 0 187.601 2.415 10 0 AEAERN Fc1nc2ccccc2nc1Cl 38325060 169090208 /nfs/dbraw/zinc/09/02/08/169090208.db2.gz HYZUGXHBEKUJSC-UHFFFAOYSA-N 0 0 182.585 2.422 10 0 in-vitro AEAERN Fc1ncc(-c2ccccc2)cn1 32220102 169090273 /nfs/dbraw/zinc/09/02/73/169090273.db2.gz RUXCIZXYLNILQH-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN Fc1ncc(OC2CC2)cc1Cl 95734458 169090347 /nfs/dbraw/zinc/09/03/47/169090347.db2.gz UTXMSRVQDKAYFQ-UHFFFAOYSA-N 0 0 187.601 2.415 10 0 AEAERN Fc1ncc(Br)s1 72193262 169090361 /nfs/dbraw/zinc/09/03/61/169090361.db2.gz QYQBGEXVTQNGII-UHFFFAOYSA-N 0 0 182.017 2.045 10 0 AEAERN Fc1nccc(Cl)c1OC1CC1 95734346 169090372 /nfs/dbraw/zinc/09/03/72/169090372.db2.gz VJTMHHVMEPRVDT-UHFFFAOYSA-N 0 0 187.601 2.415 10 0 AEAERN Fc1ncc(-c2ccccc2)c(F)n1 47207558 169090386 /nfs/dbraw/zinc/09/03/86/169090386.db2.gz GJOGRJUICNPNSV-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN Fc1ncc(Cl)c2[nH]ccc12 43220697 169090540 /nfs/dbraw/zinc/09/05/40/169090540.db2.gz WJMSYFAOMJNVDT-UHFFFAOYSA-N 0 0 170.574 2.355 10 0 AEAERN Cc1nc(-c2ccncc2)ccc1N 47212406 168930721 /nfs/dbraw/zinc/93/07/21/168930721.db2.gz RRHRNQLKGQFWNG-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1nc(-c2cccnc2)ccc1N 47212404 168930780 /nfs/dbraw/zinc/93/07/80/168930780.db2.gz JGAPEFVDLCBBRR-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CC1N=C(c2ccccc2)OC1=O 39139986 168930861 /nfs/dbraw/zinc/93/08/61/168930861.db2.gz DTYLLVHYYGGIBK-UHFFFAOYSA-N 0 0 175.187 2.356 10 0 AEAERN Cc1nc(-c2csc(N)n2)cs1 19723214 168931341 /nfs/dbraw/zinc/93/13/41/168931341.db2.gz FQEPFKSBNBOPNG-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN Cc1nc(C(=O)OC(C)C)c(C)s1 306470312 168931409 /nfs/dbraw/zinc/93/14/09/168931409.db2.gz QETYILKSMHLRBV-UHFFFAOYSA-N 0 0 199.275 2.325 10 0 AEAERN Cc1nc(C(C)C)c(C=O)s1 39104348 168931877 /nfs/dbraw/zinc/93/18/77/168931877.db2.gz UNMFFZWDGSTVHN-UHFFFAOYSA-N 0 0 169.249 2.387 10 0 AEAERN Cc1nc(C(C)(C)C)sc1CCO 83343255 168931977 /nfs/dbraw/zinc/93/19/77/168931977.db2.gz SBXLAYYECBCMBB-UHFFFAOYSA-N 0 0 199.319 2.284 10 0 AEAERN Cc1nc(C(C)C)c(CO)s1 39104493 168932178 /nfs/dbraw/zinc/93/21/78/168932178.db2.gz MLKILANAJYQCEI-UHFFFAOYSA-N 0 0 171.265 2.067 10 0 AEAERN Cc1nc(C(C)(C)C)c(CO)s1 82438436 168932202 /nfs/dbraw/zinc/93/22/02/168932202.db2.gz FEPMOGFGGYMLAN-UHFFFAOYSA-N 0 0 185.292 2.241 10 0 AEAERN Cc1nc(C(C)C)sc1CCO 83341080 168933370 /nfs/dbraw/zinc/93/33/70/168933370.db2.gz MUEMHIUNVWELOB-UHFFFAOYSA-N 0 0 185.292 2.110 10 0 AEAERN Cc1nc(C(C)C)c(N)s1 50308152 168933406 /nfs/dbraw/zinc/93/34/06/168933406.db2.gz MLMRCPCOXBMJQA-UHFFFAOYSA-N 0 0 156.254 2.157 10 0 AEAERN Cc1nc(C)c(-c2cccnc2)o1 58518617 168933441 /nfs/dbraw/zinc/93/34/41/168933441.db2.gz YSWBDBYHOWCVJU-UHFFFAOYSA-N 0 0 174.203 2.353 10 0 AEAERN Cc1nc(C)c(-c2ccccn2)o1 58518614 168933603 /nfs/dbraw/zinc/93/36/03/168933603.db2.gz JAYVFTXVAIKDTI-UHFFFAOYSA-N 0 0 174.203 2.353 10 0 AEAERN N#CN(CCF)c1ccc(F)cc1 306342577 169105272 /nfs/dbraw/zinc/10/52/72/169105272.db2.gz HNKLDCISWHTVNE-UHFFFAOYSA-N 0 0 182.173 2.083 10 0 AEAERN N#CNc1nc2cc(Cl)ccc2[nH]1 39306470 169107158 /nfs/dbraw/zinc/10/71/58/169107158.db2.gz UBNDSFQQCJXBSZ-UHFFFAOYSA-N 0 0 192.609 2.109 10 0 AEAERN N=C(Cl)Cc1nc2ccccc2[nH]1 100135271 169135898 /nfs/dbraw/zinc/13/58/98/169135898.db2.gz JVOJSSSQLXTSEP-UHFFFAOYSA-N 0 0 193.637 2.321 10 0 AEAERN N=C(CF)Nc1ccccc1 73138375 169136825 /nfs/dbraw/zinc/13/68/25/169136825.db2.gz ZIGXSTQPULUMFD-UHFFFAOYSA-N 0 0 152.172 2.045 10 0 AEAERN N=C(N)c1cc2cc(Cl)ccc2o1 77070026 169139752 /nfs/dbraw/zinc/13/97/52/169139752.db2.gz GFEXMBUWQXTYSH-UHFFFAOYSA-N 0 0 194.621 2.370 10 0 AEAERN NC(=O)C[C@@H]1OCCc2ccccc21 336633787 169142376 /nfs/dbraw/zinc/14/23/76/169142376.db2.gz GHYLBUMLLUMLPL-JTQLQIEISA-N 0 0 191.230 2.226 10 0 AEAERN NC(=O)c1cccc([C@H]2CCOC2)c1 336361357 169142378 /nfs/dbraw/zinc/14/23/78/169142378.db2.gz GGGADTKEIZYUJF-JTQLQIEISA-N 0 0 191.230 2.074 10 0 AEAERN NC(=O)COc1cccc2c1CCC2 335347780 169142424 /nfs/dbraw/zinc/14/24/24/169142424.db2.gz YFURUAAFBLWQOZ-UHFFFAOYSA-N 0 0 191.230 2.089 10 0 AEAERN NC(=O)[C@@H]1CCC[C@@H](F)C1 335517224 169142450 /nfs/dbraw/zinc/14/24/50/169142450.db2.gz YUFCPIPYMDYWBH-PHDIDXHHSA-N 0 0 145.177 2.050 10 0 AEAERN NC(=O)[C@@H]1CCC[C@H](F)C1 335517225 169142486 /nfs/dbraw/zinc/14/24/86/169142486.db2.gz YUFCPIPYMDYWBH-RITPCOANSA-N 0 0 145.177 2.050 10 0 AEAERN NC(=O)c1cccc([C@@H]2CCOC2)c1 336361358 169142679 /nfs/dbraw/zinc/14/26/79/169142679.db2.gz GGGADTKEIZYUJF-SNVBAGLBSA-N 0 0 191.230 2.074 10 0 AEAERN N=C(OC1CCCC1)c1ccccn1 39090393 169142802 /nfs/dbraw/zinc/14/28/02/169142802.db2.gz JYAMSCPZVBGDQO-UHFFFAOYSA-N 0 0 190.246 2.366 10 0 AEAERN NC(=O)C1(C2CCC2)CCC1 335186710 169142908 /nfs/dbraw/zinc/14/29/08/169142908.db2.gz QXIFDRXSZAQFDV-UHFFFAOYSA-N 0 0 153.225 2.492 10 0 AEAERN NC(=O)C1(Oc2ccccc2)CC1 335566985 169142938 /nfs/dbraw/zinc/14/29/38/169142938.db2.gz HBVAMMNMUGXPLA-UHFFFAOYSA-N 0 0 177.203 2.133 10 0 AEAERN N=C(c1ccco1)N1CCCCC1 62995422 169142954 /nfs/dbraw/zinc/14/29/54/169142954.db2.gz WXDAHGRIOBFGRY-UHFFFAOYSA-N 0 0 178.235 2.091 10 0 AEAERN NC(=O)C[C@H]1OCCc2ccccc21 336633788 169142968 /nfs/dbraw/zinc/14/29/68/169142968.db2.gz GHYLBUMLLUMLPL-SNVBAGLBSA-N 0 0 191.230 2.226 10 0 AEAERN NC(=O)[C@H]1CCC[C@@H](F)C1 335517223 169142973 /nfs/dbraw/zinc/14/29/73/169142973.db2.gz YUFCPIPYMDYWBH-NTSWFWBYSA-N 0 0 145.177 2.050 10 0 AEAERN NC(=O)[C@H]1CCC[C@H](F)C1 335517226 169143037 /nfs/dbraw/zinc/14/30/37/169143037.db2.gz YUFCPIPYMDYWBH-WDSKDSINSA-N 0 0 145.177 2.050 10 0 AEAERN NC(=O)Oc1cccc(Cl)c1 32603037 169143151 /nfs/dbraw/zinc/14/31/51/169143151.db2.gz SHXGGYLLZCCNAX-UHFFFAOYSA-N 0 0 171.583 2.212 10 0 AEAERN NC(=O)Oc1ccc(Cl)cc1 32603035 169143168 /nfs/dbraw/zinc/14/31/68/169143168.db2.gz CCENBZDJMALWCH-UHFFFAOYSA-N 0 0 171.583 2.212 10 0 AEAERN N=c1scc2[nH]c3ccccc3n12 95923097 169143957 /nfs/dbraw/zinc/14/39/57/169143957.db2.gz UTZHWJWCYFRSAZ-UHFFFAOYSA-N 0 0 189.243 2.066 10 0 AEAERN N=CNc1nc2ccccc2s1 45235703 169144350 /nfs/dbraw/zinc/14/43/50/169144350.db2.gz GBGPBQYKLUBVCZ-UHFFFAOYSA-N 0 0 177.232 2.315 10 0 AEAERN N=CN(O)c1nc2ccccc2s1 45236099 169144430 /nfs/dbraw/zinc/14/44/30/169144430.db2.gz IUTZQKGLJOAILX-UHFFFAOYSA-N 0 0 193.231 2.099 10 0 AEAERN N=Cc1c(O)ccc2occc12 39136392 169144573 /nfs/dbraw/zinc/14/45/73/169144573.db2.gz IAKLFOICPMYECL-UHFFFAOYSA-N 0 0 161.160 2.136 10 0 AEAERN N=CN(O)c1ccc2ncsc2c1 45236135 169144863 /nfs/dbraw/zinc/14/48/63/169144863.db2.gz FCRMKYDSBDDCIS-UHFFFAOYSA-N 0 0 193.231 2.099 10 0 AEAERN N=CN(c1ccncc1)c1cccnc1 39117317 169144945 /nfs/dbraw/zinc/14/49/45/169144945.db2.gz BLTFORBPGVFYRK-UHFFFAOYSA-N 0 0 198.229 2.222 10 0 AEAERN N=COc1ccc(CF)cc1 39089194 169145152 /nfs/dbraw/zinc/14/51/52/169145152.db2.gz JXYUMHHYSORWJF-UHFFFAOYSA-N 0 0 153.156 2.142 10 0 AEAERN N=C1COc2ccc(Cl)cc2N1 39321001 169145259 /nfs/dbraw/zinc/14/52/59/169145259.db2.gz DDACRSJCPWTGBY-UHFFFAOYSA-N 0 0 182.610 2.122 10 0 AEAERN N=CN(c1cccnc1)c1ccccn1 39117288 169145318 /nfs/dbraw/zinc/14/53/18/169145318.db2.gz PRDXPPQFTZZQND-UHFFFAOYSA-N 0 0 198.229 2.222 10 0 AEAERN NC(=O)/C=C/C1CCCCCCC1 44258316 169145987 /nfs/dbraw/zinc/14/59/87/169145987.db2.gz QRDVSAMUUZGUMY-CMDGGOBGSA-N 0 0 181.279 2.388 10 0 AEAERN NC(=O)C12CC3C[C@H](CC[C@H](C3)C1)C2 12410489 169147503 /nfs/dbraw/zinc/14/75/03/169147503.db2.gz KTQQIOWVPVCWTQ-GJYTXDDASA-N 0 0 193.290 2.078 10 0 AEAERN NC(=O)CCCSc1ccccc1 1596216 169147775 /nfs/dbraw/zinc/14/77/75/169147775.db2.gz PLWSHDGLZBEFPL-UHFFFAOYSA-N 0 0 195.287 2.044 10 0 AEAERN NC(=O)Oc1ccc2ccsc2c1 89195399 169159612 /nfs/dbraw/zinc/15/96/12/169159612.db2.gz FAOWZAROAOXMJE-UHFFFAOYSA-N 0 0 193.227 2.359 10 0 AEAERN NC(=O)OCCCCc1ccccc1 117261528 169160023 /nfs/dbraw/zinc/16/00/23/169160023.db2.gz UJWYDFJLWIHLOZ-UHFFFAOYSA-N 0 0 193.246 2.105 10 0 AEAERN NC(=O)[C@@]12CCC[C@@H]3C[C@@H](CC[C@@H]31)C2 3606412 169163006 /nfs/dbraw/zinc/16/30/06/169163006.db2.gz OAXXKHFZMFHVTI-MWGHHZFTSA-N 0 0 193.290 2.078 10 0 AEAERN NC(=S)/C=C/c1ccc(F)cc1 74413401 169165787 /nfs/dbraw/zinc/16/57/87/169165787.db2.gz DIXAUCLGJIOWEA-ZZXKWVIFSA-N 0 0 181.235 2.125 10 0 AEAERN NC(=S)/C=C/c1cc(F)cc(F)c1 83343136 169165805 /nfs/dbraw/zinc/16/58/05/169165805.db2.gz SDPVXPXVWOYPNQ-OWOJBTEDSA-N 0 0 199.225 2.264 10 0 AEAERN NC(=S)c1ccc(Cl)c(F)c1 43388788 169166161 /nfs/dbraw/zinc/16/61/61/169166161.db2.gz LFJHOBZAKOLVBW-UHFFFAOYSA-N 0 0 189.642 2.113 10 0 AEAERN NC(=S)c1cc(F)cc(Cl)c1 83341488 169166779 /nfs/dbraw/zinc/16/67/79/169166779.db2.gz GZKRUFDBBXOUCH-UHFFFAOYSA-N 0 0 189.642 2.113 10 0 AEAERN NC(=S)c1cc(F)ccc1Cl 83341486 169167049 /nfs/dbraw/zinc/16/70/49/169167049.db2.gz JMQIIOABFZBFNY-UHFFFAOYSA-N 0 0 189.642 2.113 10 0 AEAERN NCC(=O)c1cc2sccc2s1 82910668 169177420 /nfs/dbraw/zinc/17/74/20/169177420.db2.gz HVQYWTGNACOKMQ-UHFFFAOYSA-N 0 0 197.284 2.104 10 0 AEAERN NCC(=O)c1ccc2sccc2c1 75455429 169177427 /nfs/dbraw/zinc/17/74/27/169177427.db2.gz VWTCCGVFIUFGGJ-UHFFFAOYSA-N 0 0 191.255 2.043 10 0 AEAERN [NH3+]C[C@@H](OC1CCCC1)c1ccco1 43336541 169204401 /nfs/dbraw/zinc/20/44/01/169204401.db2.gz YZMQACXISPSXAJ-LLVKDONJSA-N 0 0 195.262 2.239 10 0 AEAERN [NH3+]Cc1ccc([O-])c(Cl)c1Cl 75580424 169223273 /nfs/dbraw/zinc/22/32/73/169223273.db2.gz KMLXKTVYDXLZAJ-UHFFFAOYSA-N 0 0 192.045 2.158 10 0 AEAERN [NH3+]Cc1ccc([S-])c(Cl)c1 82634001 169223412 /nfs/dbraw/zinc/22/34/12/169223412.db2.gz QXTPQEWBVZXRMZ-UHFFFAOYSA-N 0 0 173.668 2.087 10 0 AEAERN NCc1ncc(C2CCCCC2)o1 77268416 169231378 /nfs/dbraw/zinc/23/13/78/169231378.db2.gz CJFBOGMPALYIRY-UHFFFAOYSA-N 0 0 180.251 2.181 10 0 AEAERN NN(c1ccccc1)c1cccnc1 167954991 169232125 /nfs/dbraw/zinc/23/21/25/169232125.db2.gz AUNBMXVIRXVMHE-UHFFFAOYSA-N 0 0 185.230 2.093 10 0 AEAERN NN(c1ccccc1)c1nccs1 143515121 169233032 /nfs/dbraw/zinc/23/30/32/169233032.db2.gz HDLZZCSVJDXASM-UHFFFAOYSA-N 0 0 191.259 2.155 10 0 AEAERN NCc1nnc(C2CCCCC2)s1 57490278 169233091 /nfs/dbraw/zinc/23/30/91/169233091.db2.gz OAOWJXKIMMZPHZ-UHFFFAOYSA-N 0 0 197.307 2.045 10 0 AEAERN NN1CCCC[C@H]1c1ccccc1F 77295424 169233459 /nfs/dbraw/zinc/23/34/59/169233459.db2.gz DCBREIHCSNWOEO-NSHDSACASA-N 0 0 194.253 2.226 10 0 AEAERN NN1CCCC[C@H]1c1ccccc1 77266458 169233461 /nfs/dbraw/zinc/23/34/61/169233461.db2.gz XQDSIGDVDWFZPP-NSHDSACASA-N 0 0 176.263 2.087 10 0 AEAERN NN1CCC[C@@H](C2CCCCC2)C1 77270149 169233462 /nfs/dbraw/zinc/23/34/62/169233462.db2.gz CIUFMUBSDCVQPO-LLVKDONJSA-N 0 0 182.311 2.152 10 0 AEAERN NN1CCCC[C@H]1c1cccc(F)c1 77295427 169233471 /nfs/dbraw/zinc/23/34/71/169233471.db2.gz CXGPJHXIGWJFRC-NSHDSACASA-N 0 0 194.253 2.226 10 0 AEAERN NN1CCC[C@@H]1c1cccc(Cl)c1 77296144 169233503 /nfs/dbraw/zinc/23/35/03/169233503.db2.gz CCPLZTQBOPSOEU-SNVBAGLBSA-N 0 0 196.681 2.351 10 0 AEAERN NN1CCCC[C@@H]1c1ccccc1F 77295426 169233521 /nfs/dbraw/zinc/23/35/21/169233521.db2.gz DCBREIHCSNWOEO-LLVKDONJSA-N 0 0 194.253 2.226 10 0 AEAERN NN1CC[C@@H](c2ccccc2Cl)C1 77296145 169233552 /nfs/dbraw/zinc/23/35/52/169233552.db2.gz IZXPYSURRMKUHE-MRVPVSSYSA-N 0 0 196.681 2.003 10 0 AEAERN NN1CC[C@H](c2ccc(Cl)cc2)C1 77296150 169233573 /nfs/dbraw/zinc/23/35/73/169233573.db2.gz QVQBKQODOLUXAQ-VIFPVBQESA-N 0 0 196.681 2.003 10 0 AEAERN NN1CCCC[C@@H]1c1ccc(F)cc1 77295423 169233577 /nfs/dbraw/zinc/23/35/77/169233577.db2.gz CBEVUANBVIMKKJ-LLVKDONJSA-N 0 0 194.253 2.226 10 0 AEAERN NN1CC[C@H](c2cccc(Cl)c2)C1 77296148 169233636 /nfs/dbraw/zinc/23/36/36/169233636.db2.gz LUANLDWAWVTHLJ-VIFPVBQESA-N 0 0 196.681 2.003 10 0 AEAERN NN1CC[C@@H](c2cccc(Cl)c2)C1 77296147 169233756 /nfs/dbraw/zinc/23/37/56/169233756.db2.gz LUANLDWAWVTHLJ-SECBINFHSA-N 0 0 196.681 2.003 10 0 AEAERN NN1CC[C@@H](c2ccc(Cl)cc2)C1 77296149 169233810 /nfs/dbraw/zinc/23/38/10/169233810.db2.gz QVQBKQODOLUXAQ-SECBINFHSA-N 0 0 196.681 2.003 10 0 AEAERN NN1CCC[C@@H]1c1ccccc1Cl 38549167 169233823 /nfs/dbraw/zinc/23/38/23/169233823.db2.gz ABCMWFPGQZEVJT-SNVBAGLBSA-N 0 0 196.681 2.351 10 0 AEAERN NN1CCCC[C@@H]1c1ccccc1 77266462 169233830 /nfs/dbraw/zinc/23/38/30/169233830.db2.gz XQDSIGDVDWFZPP-LLVKDONJSA-N 0 0 176.263 2.087 10 0 AEAERN NN1CCC[C@H]1c1ccc(Cl)cc1 38548877 169233835 /nfs/dbraw/zinc/23/38/35/169233835.db2.gz MCAVEFAZWWHSQS-JTQLQIEISA-N 0 0 196.681 2.351 10 0 AEAERN NN1CC[C@H](c2ccccc2Cl)C1 77296146 169233868 /nfs/dbraw/zinc/23/38/68/169233868.db2.gz IZXPYSURRMKUHE-QMMMGPOBSA-N 0 0 196.681 2.003 10 0 AEAERN NN1CCC[C@H]1c1cccc(Cl)c1 77296143 169233918 /nfs/dbraw/zinc/23/39/18/169233918.db2.gz CCPLZTQBOPSOEU-JTQLQIEISA-N 0 0 196.681 2.351 10 0 AEAERN NN1CCCC[C@H]1c1ccc(F)cc1 77295421 169233971 /nfs/dbraw/zinc/23/39/71/169233971.db2.gz CBEVUANBVIMKKJ-NSHDSACASA-N 0 0 194.253 2.226 10 0 AEAERN NN1CCCC[C@@H]1c1cccs1 77270139 169234035 /nfs/dbraw/zinc/23/40/35/169234035.db2.gz RXUWYPCMUDNJQN-MRVPVSSYSA-N 0 0 182.292 2.149 10 0 AEAERN NN1CCC[C@@H]1c1ccc(Cl)cc1 38548879 169234064 /nfs/dbraw/zinc/23/40/64/169234064.db2.gz MCAVEFAZWWHSQS-SNVBAGLBSA-N 0 0 196.681 2.351 10 0 AEAERN NN1CCC[C@H]1c1ccccc1Cl 38549165 169234126 /nfs/dbraw/zinc/23/41/26/169234126.db2.gz ABCMWFPGQZEVJT-JTQLQIEISA-N 0 0 196.681 2.351 10 0 AEAERN NN1CCCC[C@@H]1c1cccc(F)c1 77295429 169234133 /nfs/dbraw/zinc/23/41/33/169234133.db2.gz CXGPJHXIGWJFRC-LLVKDONJSA-N 0 0 194.253 2.226 10 0 AEAERN NN1CCCC[C@H]1c1cccs1 77270132 169234147 /nfs/dbraw/zinc/23/41/47/169234147.db2.gz RXUWYPCMUDNJQN-QMMMGPOBSA-N 0 0 182.292 2.149 10 0 AEAERN NN1CCC[C@H](C2CCCCC2)C1 77270153 169234253 /nfs/dbraw/zinc/23/42/53/169234253.db2.gz CIUFMUBSDCVQPO-NSHDSACASA-N 0 0 182.311 2.152 10 0 AEAERN NNc1ccc(CC(F)(F)F)cc1 95774337 169237771 /nfs/dbraw/zinc/23/77/71/169237771.db2.gz LFJYKKFMZXTKSZ-UHFFFAOYSA-N 0 0 190.168 2.077 10 0 AEAERN NN[C@@H]1CCCC[C@H]1c1cccs1 62567901 169237867 /nfs/dbraw/zinc/23/78/67/169237867.db2.gz XXOHXJWNPHPASE-RKDXNWHRSA-N 0 0 196.319 2.238 10 0 AEAERN NNc1cc(F)cc(C(F)(F)F)c1 98181580 169238030 /nfs/dbraw/zinc/23/80/30/169238030.db2.gz PIPGTAHEBBLNHM-UHFFFAOYSA-N 0 0 194.131 2.130 10 0 in-vitro AEAERN NNc1cc(C(F)(F)F)cs1 95080302 169238085 /nfs/dbraw/zinc/23/80/85/169238085.db2.gz XVQAUMIXRRBLIK-UHFFFAOYSA-N 0 0 182.170 2.053 10 0 AEAERN NN[C@H]1CCCC[C@@H]1c1cccs1 62567899 169238096 /nfs/dbraw/zinc/23/80/96/169238096.db2.gz XXOHXJWNPHPASE-IUCAKERBSA-N 0 0 196.319 2.238 10 0 AEAERN NNc1ccc(-c2nccs2)cc1 104571147 169238121 /nfs/dbraw/zinc/23/81/21/169238121.db2.gz VNWDHMOFIKPIDP-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN NN[C@@H]1CCCC[C@@H]1c1cccs1 62567903 169238122 /nfs/dbraw/zinc/23/81/22/169238122.db2.gz XXOHXJWNPHPASE-DTWKUNHWSA-N 0 0 196.319 2.238 10 0 AEAERN NN=c1[nH]c2cccc(Cl)c2s1 45237647 169238199 /nfs/dbraw/zinc/23/81/99/169238199.db2.gz IRTHAFQSCWGAOP-UHFFFAOYSA-N 0 0 199.666 2.235 10 0 AEAERN NN=c1[nH]c(C2CCCCC2)cs1 43560052 169238413 /nfs/dbraw/zinc/23/84/13/169238413.db2.gz ZQCRMHSPUSWOEI-UHFFFAOYSA-N 0 0 197.307 2.476 10 0 AEAERN NNc1cccc(-c2cccnc2)c1 196791108 169238434 /nfs/dbraw/zinc/23/84/34/169238434.db2.gz DCIBNORACCAWIO-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN NNc1ccc2nc(Cl)sc2c1 104540005 169238616 /nfs/dbraw/zinc/23/86/16/169238616.db2.gz LNJPTBDDPKIMQZ-UHFFFAOYSA-N 0 0 199.666 2.235 10 0 AEAERN NN=c1[nH]c2c(s1)CCCCCC2 43560030 169238654 /nfs/dbraw/zinc/23/86/54/169238654.db2.gz HOLAOIWIFYWQES-UHFFFAOYSA-N 0 0 197.307 2.088 10 0 AEAERN NN=c1[nH]c(-c2ccsc2)cs1 50341020 169238692 /nfs/dbraw/zinc/23/86/92/169238692.db2.gz LLXFGTRQMLXUQX-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN NNc1ccccc1CC(F)(F)F 95774341 169238800 /nfs/dbraw/zinc/23/88/00/169238800.db2.gz DMXGKZDIVTUDOO-UHFFFAOYSA-N 0 0 190.168 2.077 10 0 AEAERN NNc1cccc(OC2CCCC2)c1 41205998 169238914 /nfs/dbraw/zinc/23/89/14/169238914.db2.gz PGABLNOXXCNXPI-UHFFFAOYSA-N 0 0 192.262 2.294 10 0 AEAERN NNc1cccc(CC(F)(F)F)c1 95774339 169239084 /nfs/dbraw/zinc/23/90/84/169239084.db2.gz DATHMXCZAGYDIL-UHFFFAOYSA-N 0 0 190.168 2.077 10 0 AEAERN NNc1nc(C(F)F)c(Cl)s1 34616763 169239094 /nfs/dbraw/zinc/23/90/94/169239094.db2.gz UYPJIKQXBSEGPC-UHFFFAOYSA-N 0 0 199.613 2.020 10 0 AEAERN NN=c1[nH]cc(-c2ccccc2)s1 47843120 169239113 /nfs/dbraw/zinc/23/91/13/169239113.db2.gz TWTLSYNMBUGGPX-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 in-vitro AEAERN NOCc1cccc2ccccc12 34427343 169239697 /nfs/dbraw/zinc/23/96/97/169239697.db2.gz YXJCAPBAUZWSBR-UHFFFAOYSA-N 0 0 173.215 2.230 10 0 AEAERN NOCC/C=C/c1cccs1 34626333 169239732 /nfs/dbraw/zinc/23/97/32/169239732.db2.gz IKFREHWDVHZARY-DAFODLJHSA-N 0 0 169.249 2.042 10 0 AEAERN NOc1ccc(Cl)cc1Cl 34091861 169240441 /nfs/dbraw/zinc/24/04/41/169240441.db2.gz LXJLVXUEOSGHHP-UHFFFAOYSA-N 0 0 178.018 2.246 10 0 AEAERN NOc1ccc2ccccc2c1 34091870 169240523 /nfs/dbraw/zinc/24/05/23/169240523.db2.gz OTOUYZZRZXWUHQ-UHFFFAOYSA-N 0 0 159.188 2.092 10 0 AEAERN NOc1cccc2ccccc12 34722531 169240598 /nfs/dbraw/zinc/24/05/98/169240598.db2.gz MWFMCZWMLLCBJH-UHFFFAOYSA-N 0 0 159.188 2.092 10 0 AEAERN NOc1cccc(Cl)c1Cl 34091860 169241017 /nfs/dbraw/zinc/24/10/17/169241017.db2.gz YXIPGISJHPRMIT-UHFFFAOYSA-N 0 0 178.018 2.246 10 0 AEAERN NOc1cc(Cl)ccc1Cl 34091862 169241154 /nfs/dbraw/zinc/24/11/54/169241154.db2.gz FLYHFIQIPAZRRU-UHFFFAOYSA-N 0 0 178.018 2.246 10 0 AEAERN [NH3+][C@@H](CCCC1CCCCC1)C(=O)[O-] 2042744 169244684 /nfs/dbraw/zinc/24/46/84/169244684.db2.gz LGIVZSMPEFXNLH-JTQLQIEISA-N 0 0 199.294 2.149 10 0 in-vivo AEAERN N[C@@H](c1ccc(F)cc1)c1ccco1 35379524 169248761 /nfs/dbraw/zinc/24/87/61/169248761.db2.gz ZOSCFQJTXGQKTC-NSHDSACASA-N 0 0 191.205 2.467 10 0 AEAERN N[C@@H](c1cscn1)c1cccs1 62354789 169248875 /nfs/dbraw/zinc/24/88/75/169248875.db2.gz JKBGGRJRKMEIIE-QMMMGPOBSA-N 0 0 196.300 2.253 10 0 AEAERN N[C@@H](c1ccco1)c1ccccc1F 41205152 169249078 /nfs/dbraw/zinc/24/90/78/169249078.db2.gz YOEAKFOPAYCQSI-LLVKDONJSA-N 0 0 191.205 2.467 10 0 AEAERN N[C@@H](c1ccc(F)cc1F)C(F)F 20475339 169249353 /nfs/dbraw/zinc/24/93/53/169249353.db2.gz IYNCBVKCAHZJSX-ZETCQYMHSA-N 0 0 193.143 2.230 10 0 AEAERN N[C@@H](c1cccc(F)c1)c1ccco1 43607212 169249383 /nfs/dbraw/zinc/24/93/83/169249383.db2.gz YSAGQOAOJOWLKM-NSHDSACASA-N 0 0 191.205 2.467 10 0 AEAERN N[C@@H](c1ccsc1)C(F)(F)F 45206694 169249458 /nfs/dbraw/zinc/24/94/58/169249458.db2.gz MOYLBHXBCYMVJQ-YFKPBYRVSA-N 0 0 181.182 2.310 10 0 AEAERN N[C@@H](c1cccs1)c1cncs1 82688905 169249726 /nfs/dbraw/zinc/24/97/26/169249726.db2.gz TYFQHMUWVHPTBO-QMMMGPOBSA-N 0 0 196.300 2.253 10 0 AEAERN N[C@@H](c1cccs1)c1nccs1 19929876 169249806 /nfs/dbraw/zinc/24/98/06/169249806.db2.gz CLPGUOPHBOMLPE-ZETCQYMHSA-N 0 0 196.300 2.253 10 0 AEAERN N[C@@H](c1ccsc1)c1ccco1 43606788 169249889 /nfs/dbraw/zinc/24/98/89/169249889.db2.gz OQNOXDHNEIVRHJ-VIFPVBQESA-N 0 0 179.244 2.389 10 0 AEAERN N[C@@H](c1ccco1)c1cccs1 35186323 169249941 /nfs/dbraw/zinc/24/99/41/169249941.db2.gz FERUGKABSMIZCP-VIFPVBQESA-N 0 0 179.244 2.389 10 0 AEAERN N[C@@H](c1ccsc1)c1nccs1 41059842 169249961 /nfs/dbraw/zinc/24/99/61/169249961.db2.gz DMPNZDWKAFXGHT-ZETCQYMHSA-N 0 0 196.300 2.253 10 0 AEAERN N[C@@H](c1ccc(F)c(F)c1)C(F)F 20475329 169249990 /nfs/dbraw/zinc/24/99/90/169249990.db2.gz VMBUEECWVTWAEZ-ZETCQYMHSA-N 0 0 193.143 2.230 10 0 AEAERN [NH3+][C@H](C[C@@H]1CCCO1)c1cccs1 40237873 169267711 /nfs/dbraw/zinc/26/77/11/169267711.db2.gz MLYCJCJIMNUPOV-DTWKUNHWSA-N 0 0 197.303 2.317 10 0 AEAERN N[C@H](c1ccsc1)C(F)(F)F 45206695 169269381 /nfs/dbraw/zinc/26/93/81/169269381.db2.gz MOYLBHXBCYMVJQ-RXMQYKEDSA-N 0 0 181.182 2.310 10 0 AEAERN N[C@H](c1ccsc1)c1ccco1 43606785 169269395 /nfs/dbraw/zinc/26/93/95/169269395.db2.gz OQNOXDHNEIVRHJ-SECBINFHSA-N 0 0 179.244 2.389 10 0 AEAERN N[C@H](c1ccc(F)c(F)c1)C(F)F 20475328 169269604 /nfs/dbraw/zinc/26/96/04/169269604.db2.gz VMBUEECWVTWAEZ-SSDOTTSWSA-N 0 0 193.143 2.230 10 0 AEAERN N[C@H](c1cccc(F)c1)c1ccco1 43607215 169269678 /nfs/dbraw/zinc/26/96/78/169269678.db2.gz YSAGQOAOJOWLKM-LLVKDONJSA-N 0 0 191.205 2.467 10 0 AEAERN N[C@H](c1cccs1)c1nccs1 19929879 169269719 /nfs/dbraw/zinc/26/97/19/169269719.db2.gz CLPGUOPHBOMLPE-SSDOTTSWSA-N 0 0 196.300 2.253 10 0 AEAERN N[C@H](c1ccco1)c1cccs1 35186324 169269726 /nfs/dbraw/zinc/26/97/26/169269726.db2.gz FERUGKABSMIZCP-SECBINFHSA-N 0 0 179.244 2.389 10 0 AEAERN N[C@H](c1cccs1)c1cncs1 82688906 169269737 /nfs/dbraw/zinc/26/97/37/169269737.db2.gz TYFQHMUWVHPTBO-MRVPVSSYSA-N 0 0 196.300 2.253 10 0 AEAERN N[C@H](c1ccsc1)c1nccs1 41059843 169270185 /nfs/dbraw/zinc/27/01/85/169270185.db2.gz DMPNZDWKAFXGHT-SSDOTTSWSA-N 0 0 196.300 2.253 10 0 AEAERN N[C@H](c1cscn1)c1cccs1 62354786 169270215 /nfs/dbraw/zinc/27/02/15/169270215.db2.gz JKBGGRJRKMEIIE-MRVPVSSYSA-N 0 0 196.300 2.253 10 0 AEAERN N[C@H](c1ccc(F)cc1)c1ccco1 35379523 169270247 /nfs/dbraw/zinc/27/02/47/169270247.db2.gz ZOSCFQJTXGQKTC-LLVKDONJSA-N 0 0 191.205 2.467 10 0 AEAERN N[C@H](c1ccco1)c1ccccc1F 41205151 169270275 /nfs/dbraw/zinc/27/02/75/169270275.db2.gz YOEAKFOPAYCQSI-NSHDSACASA-N 0 0 191.205 2.467 10 0 AEAERN N[C@H](c1ccc(F)cc1F)C(F)F 20475338 169270343 /nfs/dbraw/zinc/27/03/43/169270343.db2.gz IYNCBVKCAHZJSX-SSDOTTSWSA-N 0 0 193.143 2.230 10 0 AEAERN Cc1ncccc1[C@H](O)CC1CC1 136381185 343980598 /nfs/dbraw/zinc/98/05/98/343980598.db2.gz LDSZGQZJHDJODR-LLVKDONJSA-N 0 0 177.247 2.224 10 0 AEAERN Nc1c(F)cccc1-c1cccnc1 47212797 169282376 /nfs/dbraw/zinc/28/23/76/169282376.db2.gz DOLIGBZNWMUOTR-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1c(Cl)oc2ccccc2c1=O 196050422 169282464 /nfs/dbraw/zinc/28/24/64/169282464.db2.gz LDBACMZXNMDCJN-UHFFFAOYSA-N 0 0 195.605 2.029 10 0 AEAERN Nc1c(F)ccc2ccoc12 34060458 169282528 /nfs/dbraw/zinc/28/25/28/169282528.db2.gz XWJZSDNOENKWHK-UHFFFAOYSA-N 0 0 151.140 2.154 10 0 AEAERN Nc1c(O)cc(Cl)cc1Cl 39414046 169282592 /nfs/dbraw/zinc/28/25/92/169282592.db2.gz BVWRRBXBWWYODP-UHFFFAOYSA-N 0 0 178.018 2.281 10 0 AEAERN Nc1c(F)cccc1NC1CCC1 52207673 169282627 /nfs/dbraw/zinc/28/26/27/169282627.db2.gz ZOYYCAOPEJVHPG-UHFFFAOYSA-N 0 0 180.226 2.372 10 0 AEAERN Nc1c(Cl)cnn1CC1CCCC1 50272013 169282646 /nfs/dbraw/zinc/28/26/46/169282646.db2.gz GFFVQYZGCCTEGT-UHFFFAOYSA-N 0 0 199.685 2.309 10 0 AEAERN Nc1c(Cl)cnn1C1CCCC1 43665207 169282681 /nfs/dbraw/zinc/28/26/81/169282681.db2.gz BCFVVCJUMIQHJM-UHFFFAOYSA-N 0 0 185.658 2.234 10 0 AEAERN Nc1c(F)cccc1NCC1CC1 37419157 169282706 /nfs/dbraw/zinc/28/27/06/169282706.db2.gz FHTUDRHLZZSTPV-UHFFFAOYSA-N 0 0 180.226 2.230 10 0 AEAERN Nc1c2c(nc3cnccc13)CCCC2 27330751 169283008 /nfs/dbraw/zinc/28/30/08/169283008.db2.gz MEOMOJCPDZXFPY-UHFFFAOYSA-N 0 0 199.257 2.091 10 0 AEAERN Nc1c(F)cccc1-c1ccncc1 47212799 169283207 /nfs/dbraw/zinc/28/32/07/169283207.db2.gz VUGANVNMHXGCJI-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1c(Cl)ccc2conc12 82401689 169283258 /nfs/dbraw/zinc/28/32/58/169283258.db2.gz ZKCAOJWKDKXSDM-UHFFFAOYSA-N 0 0 168.583 2.063 10 0 AEAERN Nc1c(F)cncc1-c1ccccc1 47207232 169283263 /nfs/dbraw/zinc/28/32/63/169283263.db2.gz ICJNQPCTXOSBDV-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1c(O)ccc2sccc12 59661794 169283282 /nfs/dbraw/zinc/28/32/82/169283282.db2.gz USPWFGZJWZSFAD-UHFFFAOYSA-N 0 0 165.217 2.189 10 0 AEAERN Nc1c2c(c[nH]c1=S)CCCC2 82396285 169283375 /nfs/dbraw/zinc/28/33/75/169283375.db2.gz MRDVJSZEBRSROU-UHFFFAOYSA-N 0 0 180.276 2.205 10 0 AEAERN Nc1c(F)cc(F)c(F)c1Cl 34578879 169283419 /nfs/dbraw/zinc/28/34/19/169283419.db2.gz AZKRVVGQTDVRKD-UHFFFAOYSA-N 0 0 181.544 2.340 10 0 AEAERN Nc1c(F)c(Cl)nc(F)c1Cl 39117459 169283475 /nfs/dbraw/zinc/28/34/75/169283475.db2.gz FVRWYMWUPLJQQY-UHFFFAOYSA-N 0 0 198.987 2.249 10 0 AEAERN Nc1c2c(nc3ncccc13)CCCC2 20217125 169283491 /nfs/dbraw/zinc/28/34/91/169283491.db2.gz ASSJEIIHRYETRS-UHFFFAOYSA-N 0 0 199.257 2.091 10 0 AEAERN Nc1cc(-c2cccc(F)c2F)no1 54209187 169283540 /nfs/dbraw/zinc/28/35/40/169283540.db2.gz LULMNWNWPJJTCU-UHFFFAOYSA-N 0 0 196.156 2.202 10 0 AEAERN Nc1cc(-c2cscn2)ccc1O 71495054 169283575 /nfs/dbraw/zinc/28/35/75/169283575.db2.gz UGMBALIESWRFQF-UHFFFAOYSA-N 0 0 192.243 2.098 10 0 AEAERN Nc1c[nH]c2cc(Cl)ccc12 26461950 169283642 /nfs/dbraw/zinc/28/36/42/169283642.db2.gz SFYDPWVTPXHVTA-UHFFFAOYSA-N 0 0 166.611 2.404 10 0 AEAERN Nc1c2n(c3ccccc13)CCC2 82399980 169283650 /nfs/dbraw/zinc/28/36/50/169283650.db2.gz AJKPKADRDKQYGR-UHFFFAOYSA-N 0 0 172.231 2.170 10 0 AEAERN Nc1cc(-c2ncc[nH]2)ccc1Cl 82530765 169283717 /nfs/dbraw/zinc/28/37/17/169283717.db2.gz CCUJFRNOEXPHKF-UHFFFAOYSA-N 0 0 193.637 2.312 10 0 AEAERN Nc1cc(-c2cc[nH]c2)cs1 105865104 169283729 /nfs/dbraw/zinc/28/37/29/169283729.db2.gz OUQCYCYSIFCYGA-UHFFFAOYSA-N 0 0 164.233 2.325 10 0 AEAERN Nc1cc(-c2ccccc2F)ccn1 44118563 169283906 /nfs/dbraw/zinc/28/39/06/169283906.db2.gz XSIWDWOATCLABA-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1cc(-c2cccc(O)c2)ccn1 82730386 169283918 /nfs/dbraw/zinc/28/39/18/169283918.db2.gz ISINGQNWUWDSEN-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Nc1cc(-c2ccc(F)cc2)ccn1 44118590 169283977 /nfs/dbraw/zinc/28/39/77/169283977.db2.gz OHVLULJAKHTIKT-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1cc(-n2ccnc2)ccc1Cl 82387721 169284005 /nfs/dbraw/zinc/28/40/05/169284005.db2.gz CYKOUZMCHVNIQX-UHFFFAOYSA-N 0 0 193.637 2.108 10 0 AEAERN Nc1cc(-c2ccc(F)c(F)c2)on1 49811581 169284015 /nfs/dbraw/zinc/28/40/15/169284015.db2.gz RXQPCDGZBVACHF-UHFFFAOYSA-N 0 0 196.156 2.202 10 0 AEAERN Nc1cc(-c2ccc3[nH]ccc3c2)[nH]n1 75879936 169284023 /nfs/dbraw/zinc/28/40/23/169284023.db2.gz NCFNXPXCURKCFB-UHFFFAOYSA-N 0 0 198.229 2.140 10 0 AEAERN Nc1cc(-c2ccccc2O)ccn1 82730387 169284031 /nfs/dbraw/zinc/28/40/31/169284031.db2.gz QYUJFWNNIQAUNL-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Nc1cc(-c2ccccc2)cnc1F 47207228 169284135 /nfs/dbraw/zinc/28/41/35/169284135.db2.gz LWWDVAOPFPHKSO-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1cc(-c2cc(F)ccc2F)on1 49811580 169284158 /nfs/dbraw/zinc/28/41/58/169284158.db2.gz DTQSTEVYBWUQJH-UHFFFAOYSA-N 0 0 196.156 2.202 10 0 AEAERN Nc1cc(-c2ccc3c(c2)CCC3)[nH]n1 19489252 169284284 /nfs/dbraw/zinc/28/42/84/169284284.db2.gz VKEUOAFBJQUJHW-UHFFFAOYSA-N 0 0 199.257 2.148 10 0 AEAERN Nc1c[nH]nc1-c1cc2ccccc2[nH]1 90588118 169284395 /nfs/dbraw/zinc/28/43/95/169284395.db2.gz TVLMZSGALPVODQ-UHFFFAOYSA-N 0 0 198.229 2.140 10 0 AEAERN Nc1cc(-n2cccn2)ccc1Cl 82387724 169284452 /nfs/dbraw/zinc/28/44/52/169284452.db2.gz DHPLQEIIPKTEBU-UHFFFAOYSA-N 0 0 193.637 2.108 10 0 AEAERN Nc1cc(-c2ccsc2)ccn1 44120403 169284462 /nfs/dbraw/zinc/28/44/62/169284462.db2.gz VRUGLFQEXZSGCV-UHFFFAOYSA-N 0 0 176.244 2.392 10 0 AEAERN Nc1cc(-c2cccnc2)ccc1O 148371557 169284491 /nfs/dbraw/zinc/28/44/91/169284491.db2.gz PCQBPZPGEZSYHS-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Nc1cc(-c2ccncc2)ccc1O 75577141 169284529 /nfs/dbraw/zinc/28/45/29/169284529.db2.gz NVJWQSZPPCXTHF-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Nc1cc(-c2ccc(O)cc2)ccn1 82730425 169284557 /nfs/dbraw/zinc/28/45/57/169284557.db2.gz LFEPAZMQQNIUOL-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Nc1cc(C(F)(F)F)ncc1Cl 95642412 169284869 /nfs/dbraw/zinc/28/48/69/169284869.db2.gz JWQRIFDUIJXNNB-UHFFFAOYSA-N 0 0 196.559 2.336 10 0 AEAERN Nc1cc(C[C@@H]2C[C@H]3CC[C@@H]2C3)no1 20385389 169284972 /nfs/dbraw/zinc/28/49/72/169284972.db2.gz GGEVROHSGUCPLG-YIZRAAEISA-N 0 0 192.262 2.236 10 0 AEAERN Nc1cc(C[C@H]2C[C@H]3CC[C@@H]2C3)no1 20385395 169285112 /nfs/dbraw/zinc/28/51/12/169285112.db2.gz GGEVROHSGUCPLG-DJLDLDEBSA-N 0 0 192.262 2.236 10 0 AEAERN Nc1cc(C(F)(F)F)cs1 107102417 169285125 /nfs/dbraw/zinc/28/51/25/169285125.db2.gz OFGUZHWLAPUSHE-UHFFFAOYSA-N 0 0 167.155 2.349 10 0 AEAERN Nc1cc(C2CCCCC2)on1 45814209 169285149 /nfs/dbraw/zinc/28/51/49/169285149.db2.gz DMEBAXRJTIYBAL-UHFFFAOYSA-N 0 0 166.224 2.305 10 0 AEAERN Nc1cc(CCc2cccs2)no1 41206696 169285226 /nfs/dbraw/zinc/28/52/26/169285226.db2.gz AJDLEGXHWQCSBM-UHFFFAOYSA-N 0 0 194.259 2.104 10 0 AEAERN Nc1cc(C(=O)C2CC2)ccc1F 32007247 169285292 /nfs/dbraw/zinc/28/52/92/169285292.db2.gz BDOCFTHKYPVKOM-UHFFFAOYSA-N 0 0 179.194 2.001 10 0 AEAERN Nc1cc(COC2CCCC2)ccn1 52734175 169285302 /nfs/dbraw/zinc/28/53/02/169285302.db2.gz LRAHHAKNMDPAAH-UHFFFAOYSA-N 0 0 192.262 2.123 10 0 AEAERN Nc1cc(C2CCCC2)ccn1 44120340 169285497 /nfs/dbraw/zinc/28/54/97/169285497.db2.gz VVKOMDBWNAMPRJ-UHFFFAOYSA-N 0 0 162.236 2.321 10 0 AEAERN Nc1cc(CCC2CCCC2)no1 26516038 169285525 /nfs/dbraw/zinc/28/55/25/169285525.db2.gz WGUCERQISPKZTJ-UHFFFAOYSA-N 0 0 180.251 2.380 10 0 AEAERN Nc1cc(C2CCCC2)nc(Cl)n1 72193117 169285682 /nfs/dbraw/zinc/28/56/82/169285682.db2.gz ZYIZYPOCIIMEJO-UHFFFAOYSA-N 0 0 197.669 2.370 10 0 AEAERN Nc1cc(Cl)c2c(c1)CCCN2 82394693 169285748 /nfs/dbraw/zinc/28/57/48/169285748.db2.gz RYSKQTBSWKOHDH-UHFFFAOYSA-N 0 0 182.654 2.280 10 0 AEAERN Nc1cc(F)c(NCC2CC2)c(F)c1 38039872 169285758 /nfs/dbraw/zinc/28/57/58/169285758.db2.gz FQICTLWDNJOLSW-UHFFFAOYSA-N 0 0 198.216 2.369 10 0 AEAERN Nc1cc(F)ccc1-c1ccncc1 47212796 169285770 /nfs/dbraw/zinc/28/57/70/169285770.db2.gz OTRMDRJSPTVLJD-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1cc(Cl)n(-c2ccccc2)n1 75581513 169285872 /nfs/dbraw/zinc/28/58/72/169285872.db2.gz WRBIBDREQWINBQ-UHFFFAOYSA-N 0 0 193.637 2.108 10 0 AEAERN Nc1cc(F)ccc1NCC1CC1 20381790 169285939 /nfs/dbraw/zinc/28/59/39/169285939.db2.gz WDKKOMUHSYMNRS-UHFFFAOYSA-N 0 0 180.226 2.230 10 0 AEAERN Nc1cc(F)c(NC2CC2)c(F)c1 38039864 169286017 /nfs/dbraw/zinc/28/60/17/169286017.db2.gz IPVAYDKLCPPWOR-UHFFFAOYSA-N 0 0 184.189 2.121 10 0 AEAERN Nc1cc(F)cc(-c2ccncc2)c1 47212809 169286054 /nfs/dbraw/zinc/28/60/54/169286054.db2.gz UXDRIJIHUAKIMA-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1cc(Cl)ccc1-c1ncc[nH]1 42414898 169286106 /nfs/dbraw/zinc/28/61/06/169286106.db2.gz IVUJRTGLJPWVOL-UHFFFAOYSA-N 0 0 193.637 2.312 10 0 AEAERN Nc1cc(F)c(F)cc1-c1ncco1 50036764 169286109 /nfs/dbraw/zinc/28/61/09/169286109.db2.gz KSBMPSKJJBDSQR-UHFFFAOYSA-N 0 0 196.156 2.202 10 0 AEAERN Nc1cc(Cl)cc(OC2CC2)c1 95737231 169286137 /nfs/dbraw/zinc/28/61/37/169286137.db2.gz DNRVGHKNMVPZHH-UHFFFAOYSA-N 0 0 183.638 2.463 10 0 AEAERN Nc1cc(Cl)c2[nH]ccc2c1 34559250 169286160 /nfs/dbraw/zinc/28/61/60/169286160.db2.gz CNQGJDFDDNYRAT-UHFFFAOYSA-N 0 0 166.611 2.404 10 0 AEAERN Nc1cc(F)cc(NCC2CC2)c1 37666672 169286186 /nfs/dbraw/zinc/28/61/86/169286186.db2.gz TVUBTUUFQPSUFC-UHFFFAOYSA-N 0 0 180.226 2.230 10 0 AEAERN Nc1cc(F)cc2c1OCCCC2 82395972 169286215 /nfs/dbraw/zinc/28/62/15/169286215.db2.gz WSFIIYSBKVQOQA-UHFFFAOYSA-N 0 0 181.210 2.123 10 0 AEAERN Nc1cc(F)c2c(c1)CCCS2 82394036 169286239 /nfs/dbraw/zinc/28/62/39/169286239.db2.gz DMQMRMLEUDTMDF-UHFFFAOYSA-N 0 0 183.251 2.446 10 0 AEAERN Nc1cc(Cl)cc(CO)c1Cl 75580420 169286345 /nfs/dbraw/zinc/28/63/45/169286345.db2.gz UIXROZXJENEZSY-UHFFFAOYSA-N 0 0 192.045 2.068 10 0 AEAERN Nc1cc(F)ccc1-c1cccnc1 47212794 169286350 /nfs/dbraw/zinc/28/63/50/169286350.db2.gz HOIFZXFDPWWEIW-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1cc(F)c2c(c1)CCCCO2 82395973 169286357 /nfs/dbraw/zinc/28/63/57/169286357.db2.gz NATIANMZYBEARD-UHFFFAOYSA-N 0 0 181.210 2.123 10 0 AEAERN Nc1cc(F)cc2c1SCCC2 82394034 169286359 /nfs/dbraw/zinc/28/63/59/169286359.db2.gz NJBKGTQHXRIZNV-UHFFFAOYSA-N 0 0 183.251 2.446 10 0 AEAERN Nc1cc(F)cc(NC2CCC2)c1 52207684 169286362 /nfs/dbraw/zinc/28/63/62/169286362.db2.gz QSXOMGOVORSUHY-UHFFFAOYSA-N 0 0 180.226 2.372 10 0 AEAERN Nc1cc(Cl)c2ocnc2c1 62498569 169286378 /nfs/dbraw/zinc/28/63/78/169286378.db2.gz USGIVJAAIHYMLM-UHFFFAOYSA-N 0 0 168.583 2.063 10 0 AEAERN Nc1cc(Cl)cc2c1NCCC2 82529764 169286394 /nfs/dbraw/zinc/28/63/94/169286394.db2.gz VHWNYVHQVPKFJU-UHFFFAOYSA-N 0 0 182.654 2.280 10 0 AEAERN Nc1cc(F)cc2nc(C3CC3)oc12 41568815 169286397 /nfs/dbraw/zinc/28/63/97/169286397.db2.gz ZLUZENKQDWVQFP-UHFFFAOYSA-N 0 0 192.193 2.427 10 0 AEAERN Nc1cc(F)ccc1NC1CCC1 52207457 169286450 /nfs/dbraw/zinc/28/64/50/169286450.db2.gz RQIBZGPNGWUQMU-UHFFFAOYSA-N 0 0 180.226 2.372 10 0 AEAERN Nc1cc(F)c2oc(C3CC3)nc2c1 62521505 169286505 /nfs/dbraw/zinc/28/65/05/169286505.db2.gz DTMPGZIWJXSHLR-UHFFFAOYSA-N 0 0 192.193 2.427 10 0 AEAERN Nc1cc(F)cc2ccoc12 39088439 169286530 /nfs/dbraw/zinc/28/65/30/169286530.db2.gz UEKGFYDBXGBQLM-UHFFFAOYSA-N 0 0 151.140 2.154 10 0 AEAERN Nc1cc(Cl)c2c(c1)CCCO2 82393494 169286564 /nfs/dbraw/zinc/28/65/64/169286564.db2.gz PDUJAYAAUGFROW-UHFFFAOYSA-N 0 0 183.638 2.247 10 0 AEAERN Nc1cc(F)cc(-c2cccnc2)c1 34558538 169286620 /nfs/dbraw/zinc/28/66/20/169286620.db2.gz NFIXYAVTGLYDLV-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1cc(Cl)cnc1C(F)(F)F 95763628 169286625 /nfs/dbraw/zinc/28/66/25/169286625.db2.gz QEVJTLVGMRKPNU-UHFFFAOYSA-N 0 0 196.559 2.336 10 0 AEAERN Nc1cc(F)c(F)c(F)c1Cl 34526830 169286636 /nfs/dbraw/zinc/28/66/36/169286636.db2.gz KFXQMOGUXFDGCX-UHFFFAOYSA-N 0 0 181.544 2.340 10 0 AEAERN Nc1cc(O)cc2c1SCCCC2 82386226 169286863 /nfs/dbraw/zinc/28/68/63/169286863.db2.gz ZQKLVDHIQABPMP-UHFFFAOYSA-N 0 0 195.287 2.403 10 0 AEAERN Nc1cc([C@H]2CCCS2)ccn1 72193284 169286934 /nfs/dbraw/zinc/28/69/34/169286934.db2.gz LXSLQJIWLYXKLO-MRVPVSSYSA-N 0 0 180.276 2.232 10 0 AEAERN Nc1cc(OC2CC2)ccc1Cl 95742129 169286975 /nfs/dbraw/zinc/28/69/75/169286975.db2.gz GMGUKPZBOGXFMK-UHFFFAOYSA-N 0 0 183.638 2.463 10 0 AEAERN Nc1cc(N2CCCC2)ccc1F 32007436 169286997 /nfs/dbraw/zinc/28/69/97/169286997.db2.gz OAGRBDDBSDUAAT-UHFFFAOYSA-N 0 0 180.226 2.008 10 0 AEAERN Nc1cc([C@H]2CCCO2)ccc1F 49805687 169287021 /nfs/dbraw/zinc/28/70/21/169287021.db2.gz OFFVLGCSKDYGSR-SNVBAGLBSA-N 0 0 181.210 2.259 10 0 AEAERN Nc1cc(N)cc(-c2ccco2)c1 41048872 169287224 /nfs/dbraw/zinc/28/72/24/169287224.db2.gz VPMSGBCZQHFTQF-UHFFFAOYSA-N 0 0 174.203 2.111 10 0 AEAERN Nc1cc([C@@H]2CCCS2)ccn1 72193283 169287438 /nfs/dbraw/zinc/28/74/38/169287438.db2.gz LXSLQJIWLYXKLO-QMMMGPOBSA-N 0 0 180.276 2.232 10 0 AEAERN Nc1cc(F)cnc1-c1ccccc1 47207230 169287443 /nfs/dbraw/zinc/28/74/43/169287443.db2.gz UVVASRMKYWSGKI-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1cc(O)cc2c1SCCC2 82395672 169287539 /nfs/dbraw/zinc/28/75/39/169287539.db2.gz TVIDBBRTEBADRT-UHFFFAOYSA-N 0 0 181.260 2.013 10 0 AEAERN Nc1cc([C@@H]2C[C@H]3CC[C@@H]2C3)no1 42175485 169287762 /nfs/dbraw/zinc/28/77/62/169287762.db2.gz MXHKUGHWDGFEDP-XLPZGREQSA-N 0 0 178.235 2.160 10 0 AEAERN Nc1cc([C@@H]2CCCO2)ccc1F 49805686 169287838 /nfs/dbraw/zinc/28/78/38/169287838.db2.gz OFFVLGCSKDYGSR-JTQLQIEISA-N 0 0 181.210 2.259 10 0 AEAERN Nc1cc(O)c2c(c1)CCCS2 82395671 169287961 /nfs/dbraw/zinc/28/79/61/169287961.db2.gz YIFWBFIFVJHROJ-UHFFFAOYSA-N 0 0 181.260 2.013 10 0 AEAERN Nc1cc(O)c2c(c1)CCCCS2 82386245 169287993 /nfs/dbraw/zinc/28/79/93/169287993.db2.gz WEWUXUOGLRMQGT-UHFFFAOYSA-N 0 0 195.287 2.403 10 0 AEAERN Nc1cc2c(cc1Cl)CCCN2 82394701 169288468 /nfs/dbraw/zinc/28/84/68/169288468.db2.gz CNNXCPCSBYVANR-UHFFFAOYSA-N 0 0 182.654 2.280 10 0 AEAERN Nc1cc2ncsc2cc1F 45235705 169288530 /nfs/dbraw/zinc/28/85/30/169288530.db2.gz GDQUVVDYNBCALK-UHFFFAOYSA-N 0 0 168.196 2.018 10 0 AEAERN Nc1cc2c([nH]c1=S)CCCC2 82396284 169288671 /nfs/dbraw/zinc/28/86/71/169288671.db2.gz DRANHUAFOZOKMB-UHFFFAOYSA-N 0 0 180.276 2.205 10 0 AEAERN Nc1cc2c(nc1Cl)CCCC2 96864322 169288684 /nfs/dbraw/zinc/28/86/84/169288684.db2.gz SWSDWWLYQLWAJY-UHFFFAOYSA-N 0 0 182.654 2.196 10 0 AEAERN Nc1cc2c(c[nH+]1)[C@@H]1CC[C@H]2C1 75544663 169288736 /nfs/dbraw/zinc/28/87/36/169288736.db2.gz WDOGBPUWBPHWCZ-NKWVEPMBSA-N 0 0 160.220 2.029 10 0 AEAERN Nc1cc2cccnc2c(Cl)c1N 90598289 169288841 /nfs/dbraw/zinc/28/88/41/169288841.db2.gz QCJVMPMNUUGBMZ-UHFFFAOYSA-N 0 0 193.637 2.053 10 0 AEAERN Nc1cc2c(o1)CCCCC2 107106432 169288981 /nfs/dbraw/zinc/28/89/81/169288981.db2.gz ANRWUQULGGTKNH-UHFFFAOYSA-N 0 0 151.209 2.131 10 0 AEAERN Nc1cc2c(c3c1CCC3)CCC2 75563795 169289030 /nfs/dbraw/zinc/28/90/30/169289030.db2.gz IQEINQRHPWQUGN-UHFFFAOYSA-N 0 0 173.259 2.246 10 0 AEAERN Nc1cc2c(cc1O)CCCCC2 82398162 169289257 /nfs/dbraw/zinc/28/92/57/169289257.db2.gz OJFNMNGAIIAJNT-UHFFFAOYSA-N 0 0 177.247 2.243 10 0 AEAERN Nc1cc2c(cc1Cl)NCCC2 82394692 169289480 /nfs/dbraw/zinc/28/94/80/169289480.db2.gz JRDVXMANNQFKGR-UHFFFAOYSA-N 0 0 182.654 2.280 10 0 AEAERN Nc1cc2cc(F)cc(F)c2[nH]1 14985661 169289531 /nfs/dbraw/zinc/28/95/31/169289531.db2.gz KARHMBDQAHOFOO-UHFFFAOYSA-N 0 0 168.146 2.028 10 0 AEAERN Nc1ccc(-c2ccccn2)c(O)c1 39204935 169289678 /nfs/dbraw/zinc/28/96/78/169289678.db2.gz SJZBBDQBESXBEE-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Nc1ccc(-c2ncc[nH]2)c(Cl)c1 42414896 169289714 /nfs/dbraw/zinc/28/97/14/169289714.db2.gz DQZCXBHNYAGCLM-UHFFFAOYSA-N 0 0 193.637 2.312 10 0 AEAERN Nc1ccc(-n2cccn2)cc1Cl 82655750 169289717 /nfs/dbraw/zinc/28/97/17/169289717.db2.gz MDYLEUJYRDQGPN-UHFFFAOYSA-N 0 0 193.637 2.108 10 0 AEAERN Nc1ccc(-c2cccc(O)c2)cn1 44121211 169289859 /nfs/dbraw/zinc/28/98/59/169289859.db2.gz XDWRGMKTKBGXIN-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Nc1ccc(-c2cccnc2F)cc1 75877832 169289886 /nfs/dbraw/zinc/28/98/86/169289886.db2.gz HFOIHPVVYDBUMC-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1ccc(-c2ccsc2)cn1 22201022 169289899 /nfs/dbraw/zinc/28/98/99/169289899.db2.gz HZFWDIDTKZHPIF-UHFFFAOYSA-N 0 0 176.244 2.392 10 0 AEAERN Nc1ccc(-n2ccnc2)cc1Cl 82387718 169289931 /nfs/dbraw/zinc/28/99/31/169289931.db2.gz UKGAXDAKOLZAQQ-UHFFFAOYSA-N 0 0 193.637 2.108 10 0 AEAERN Nc1ccc(-n2cccc2)c(F)c1 39038635 169289971 /nfs/dbraw/zinc/28/99/71/169289971.db2.gz HCNVFTPGKJFZPB-UHFFFAOYSA-N 0 0 176.194 2.199 10 0 AEAERN Nc1ccc(-c2ccccn2)s1 103629835 169290020 /nfs/dbraw/zinc/29/00/20/169290020.db2.gz JUMUSUOVFFZABY-UHFFFAOYSA-N 0 0 176.244 2.392 10 0 AEAERN Nc1ccc(-c2cc[nH]c2)s1 105865107 169290179 /nfs/dbraw/zinc/29/01/79/169290179.db2.gz GWYWPLUADWGQSJ-UHFFFAOYSA-N 0 0 164.233 2.325 10 0 AEAERN Nc1ccc(-c2nc3c([nH]2)CCC3)cc1 20216397 169290199 /nfs/dbraw/zinc/29/01/99/169290199.db2.gz YKOKVOZKILUYDC-UHFFFAOYSA-N 0 0 199.257 2.148 10 0 AEAERN Nc1ccc(-c2ccncc2)s1 103629844 169290254 /nfs/dbraw/zinc/29/02/54/169290254.db2.gz DIBGPCFGWOJKNP-UHFFFAOYSA-N 0 0 176.244 2.392 10 0 AEAERN Nc1ccc(-n2cccc2)cc1F 82655566 169290283 /nfs/dbraw/zinc/29/02/83/169290283.db2.gz SYISOWHLARUYGP-UHFFFAOYSA-N 0 0 176.194 2.199 10 0 AEAERN Nc1ccc(-c2ncco2)cc1F 115296943 169290287 /nfs/dbraw/zinc/29/02/87/169290287.db2.gz PKGMNYXFTUVGPP-UHFFFAOYSA-N 0 0 178.166 2.063 10 0 AEAERN Nc1ccc(-c2ncco2)c(F)c1 43575849 169290343 /nfs/dbraw/zinc/29/03/43/169290343.db2.gz UHCFSQGAVWAVOF-UHFFFAOYSA-N 0 0 178.166 2.063 10 0 AEAERN Nc1ccc(-c2ccccc2F)cn1 16948010 169290344 /nfs/dbraw/zinc/29/03/44/169290344.db2.gz GNNCJYFPTQJLJW-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1ccc(-c2cscn2)cc1O 71495052 169290362 /nfs/dbraw/zinc/29/03/62/169290362.db2.gz PWKNYNDSMGJANF-UHFFFAOYSA-N 0 0 192.243 2.098 10 0 AEAERN Nc1ccc(-c2ncccc2F)cc1 75877831 169290366 /nfs/dbraw/zinc/29/03/66/169290366.db2.gz TWTUPNJWWSLWFG-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1ccc(-c2c[nH]cn2)cc1Cl 59408878 169290421 /nfs/dbraw/zinc/29/04/21/169290421.db2.gz FTCYWUBNMJRLNN-UHFFFAOYSA-N 0 0 193.637 2.312 10 0 AEAERN Nc1ccc(-c2cccnc2)cc1F 38068919 169290440 /nfs/dbraw/zinc/29/04/40/169290440.db2.gz DLWRZMVWHFBIRC-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1ccc(-c2ccccc2O)cn1 44121220 169290465 /nfs/dbraw/zinc/29/04/65/169290465.db2.gz UHHWHCJCKYLALH-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Nc1ccc(C(=O)C(F)(F)F)s1 39018196 169290519 /nfs/dbraw/zinc/29/05/19/169290519.db2.gz NUJZWUAFCUHGSF-UHFFFAOYSA-N 0 0 195.165 2.075 10 0 AEAERN Nc1ccc(-c2cncc(F)c2)cc1 49576613 169290525 /nfs/dbraw/zinc/29/05/25/169290525.db2.gz NRAFZJZXOYOHBZ-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1ccc(=S)[nH]c1OCC1CC1 37181203 169290553 /nfs/dbraw/zinc/29/05/53/169290553.db2.gz YAJIHAQBTALQGO-UHFFFAOYSA-N 0 0 196.275 2.115 10 0 AEAERN Nc1ccc(-c2cncc(O)c2)cc1 72192754 169290585 /nfs/dbraw/zinc/29/05/85/169290585.db2.gz DBQPPFQRNVWOCY-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Nc1ccc(-c2ccco2)c(N)c1 41048857 169290667 /nfs/dbraw/zinc/29/06/67/169290667.db2.gz HYWGUTIFNAHEIV-UHFFFAOYSA-N 0 0 174.203 2.111 10 0 AEAERN Nc1ccc(-c2ccncc2)cc1F 40231659 169290700 /nfs/dbraw/zinc/29/07/00/169290700.db2.gz RRAKUTCVRYDSFE-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1ccc(COC2CCCC2)cn1 50830316 169291089 /nfs/dbraw/zinc/29/10/89/169291089.db2.gz CLLFELNLJDGXPF-UHFFFAOYSA-N 0 0 192.262 2.123 10 0 AEAERN Nc1ccc(C2CC2)nc1Cl 82854006 169291227 /nfs/dbraw/zinc/29/12/27/169291227.db2.gz KEGNABHCQYLVQX-UHFFFAOYSA-N 0 0 168.627 2.195 10 0 AEAERN Nc1ccc(C2CCCC2)nc1 44121434 169291255 /nfs/dbraw/zinc/29/12/55/169291255.db2.gz GXEUMZJZBYAMJQ-UHFFFAOYSA-N 0 0 162.236 2.321 10 0 AEAERN Nc1ccc(C2=CCCOCC2)cc1 71491525 169291550 /nfs/dbraw/zinc/29/15/50/169291550.db2.gz FZAXLNXWZSSFDY-UHFFFAOYSA-N 0 0 189.258 2.463 10 0 AEAERN Nc1ccc(C2CCCCC2)nn1 44118119 169291693 /nfs/dbraw/zinc/29/16/93/169291693.db2.gz WGMPDDZGSGMYFH-UHFFFAOYSA-N 0 0 177.251 2.107 10 0 AEAERN Nc1ccc(F)cc1COCC1CC1 35308814 169292145 /nfs/dbraw/zinc/29/21/45/169292145.db2.gz ZSDTZSKHSKONDM-UHFFFAOYSA-N 0 0 195.237 2.335 10 0 AEAERN Nc1ccc(F)cc1-c1cccnc1 38068917 169292170 /nfs/dbraw/zinc/29/21/70/169292170.db2.gz OCINQBRZFLQFDI-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1ccc(NC2CCCC2)cn1 19952971 169292235 /nfs/dbraw/zinc/29/22/35/169292235.db2.gz SLGZWVWIMLOWDG-UHFFFAOYSA-N 0 0 177.251 2.018 10 0 AEAERN Nc1ccc(OC2CC2)cc1Cl 95737253 169292440 /nfs/dbraw/zinc/29/24/40/169292440.db2.gz JDCYLHSWZJFEPD-UHFFFAOYSA-N 0 0 183.638 2.463 10 0 AEAERN Nc1ccc(NCc2ccccc2)cn1 19952994 169292493 /nfs/dbraw/zinc/29/24/93/169292493.db2.gz NBILPMZWXMBGHX-UHFFFAOYSA-N 0 0 199.257 2.276 10 0 AEAERN Nc1ccc(NC2CC2)c(Cl)c1 34939555 169292809 /nfs/dbraw/zinc/29/28/09/169292809.db2.gz CPZOKUDTONOOLZ-UHFFFAOYSA-N 0 0 182.654 2.497 10 0 AEAERN Nc1ccc(NC2CCCCC2)cn1 19952966 169292833 /nfs/dbraw/zinc/29/28/33/169292833.db2.gz GFOBOEUEAFEQTR-UHFFFAOYSA-N 0 0 191.278 2.408 10 0 AEAERN Nc1ccc(NC2CCC2)c(F)c1 52207480 169292866 /nfs/dbraw/zinc/29/28/66/169292866.db2.gz ZLVHIEXPAZISAS-UHFFFAOYSA-N 0 0 180.226 2.372 10 0 AEAERN Nc1ccc(NC2CCCCC2)nc1 35656170 169292888 /nfs/dbraw/zinc/29/28/88/169292888.db2.gz BDTVRIPQRSEHTE-UHFFFAOYSA-N 0 0 191.278 2.408 10 0 AEAERN Nc1ccc(OC2CCCCC2)cn1 19868900 169293050 /nfs/dbraw/zinc/29/30/50/169293050.db2.gz ADQNVGFYJDXUFE-UHFFFAOYSA-N 0 0 192.262 2.375 10 0 AEAERN Nc1ccc(N2CCCC2)cc1F 82655591 169293127 /nfs/dbraw/zinc/29/31/27/169293127.db2.gz CZFFZVOVMUJBHP-UHFFFAOYSA-N 0 0 180.226 2.008 10 0 AEAERN Nc1ccc(NCC2CC2)c(F)c1 26516031 169293142 /nfs/dbraw/zinc/29/31/42/169293142.db2.gz DESHPWQJBAZPJJ-UHFFFAOYSA-N 0 0 180.226 2.230 10 0 AEAERN Nc1ccc(NCC2CCCC2)nc1 37258349 169293200 /nfs/dbraw/zinc/29/32/00/169293200.db2.gz YOMKRJQCHJAZGG-UHFFFAOYSA-N 0 0 191.278 2.266 10 0 AEAERN Nc1ccc(OCC2CCCC2)nc1 73711469 169293243 /nfs/dbraw/zinc/29/32/43/169293243.db2.gz IUOLJDSTMMIQRW-UHFFFAOYSA-N 0 0 192.262 2.233 10 0 AEAERN Nc1ccc(NCC2CCCC2)cn1 37258332 169293351 /nfs/dbraw/zinc/29/33/51/169293351.db2.gz CLNKHHZWDHBUOC-UHFFFAOYSA-N 0 0 191.278 2.266 10 0 AEAERN Nc1ccc([C@@H]2CCC[C@H](O)C2)cc1 83254856 169293471 /nfs/dbraw/zinc/29/34/71/169293471.db2.gz PKKRHMOIUDPFEF-PWSUYJOCSA-N 0 0 191.274 2.287 10 0 AEAERN Nc1ccc(SCC(F)F)cn1 37756092 169293502 /nfs/dbraw/zinc/29/35/02/169293502.db2.gz XOQBMJQTOSRWIA-UHFFFAOYSA-N 0 0 190.218 2.021 10 0 AEAERN Nc1ccc([C@H]2CCC[C@@H](O)C2)cc1 83254863 169293543 /nfs/dbraw/zinc/29/35/43/169293543.db2.gz PKKRHMOIUDPFEF-CMPLNLGQSA-N 0 0 191.274 2.287 10 0 AEAERN Nc1ccc(=S)c2ccc[nH]c1-2 35341099 169293550 /nfs/dbraw/zinc/29/35/50/169293550.db2.gz TYQQGVXPPJEVDJ-UHFFFAOYSA-N 0 0 176.244 2.106 10 0 AEAERN Nc1ccc([C@@H]2CCCOC2)cc1 72193155 169293574 /nfs/dbraw/zinc/29/35/74/169293574.db2.gz UDQDZWKXJYMCTP-SNVBAGLBSA-N 0 0 177.247 2.163 10 0 AEAERN Nc1ccc(SCC2CC2)cn1 36765433 169293595 /nfs/dbraw/zinc/29/35/95/169293595.db2.gz GWUVANVJZZQTRL-UHFFFAOYSA-N 0 0 180.276 2.166 10 0 AEAERN Nc1ccc(=S)c2c[nH]ccc1-2 39119731 169293644 /nfs/dbraw/zinc/29/36/44/169293644.db2.gz RADOMVIWPCUSKT-UHFFFAOYSA-N 0 0 176.244 2.106 10 0 AEAERN Nc1ccc([S-])c2cc[nH+]cc12 35333363 169293731 /nfs/dbraw/zinc/29/37/31/169293731.db2.gz JSAQTVZOODVCHC-UHFFFAOYSA-N 0 0 176.244 2.106 10 0 AEAERN Nc1ccc([C@H]2CCC[C@H](O)C2)cc1 83254857 169293761 /nfs/dbraw/zinc/29/37/61/169293761.db2.gz PKKRHMOIUDPFEF-JQWIXIFHSA-N 0 0 191.274 2.287 10 0 AEAERN Nc1ccc(SCC2CC2)nc1 36765432 169293805 /nfs/dbraw/zinc/29/38/05/169293805.db2.gz OISYKPTVUWOGJQ-UHFFFAOYSA-N 0 0 180.276 2.166 10 0 AEAERN Nc1ccc([C@H]2CCCC(=O)C2)o1 107097061 169293817 /nfs/dbraw/zinc/29/38/17/169293817.db2.gz UUTRHDFEAKRMHD-ZETCQYMHSA-N 0 0 179.219 2.089 10 0 AEAERN Nc1ccc([C@@H]2CCCC(=O)C2)o1 107097059 169293923 /nfs/dbraw/zinc/29/39/23/169293923.db2.gz UUTRHDFEAKRMHD-SSDOTTSWSA-N 0 0 179.219 2.089 10 0 AEAERN Nc1ccc([C@@H]2CCCO2)cc1 49804792 169293969 /nfs/dbraw/zinc/29/39/69/169293969.db2.gz GTBQJAVZAGLCFV-JTQLQIEISA-N 0 0 163.220 2.120 10 0 AEAERN Nc1ccc([C@H]2CCCO2)cc1 49804793 169294015 /nfs/dbraw/zinc/29/40/15/169294015.db2.gz GTBQJAVZAGLCFV-SNVBAGLBSA-N 0 0 163.220 2.120 10 0 AEAERN Nc1ccc([C@@H]2CCC[C@@H](O)C2)cc1 83254859 169294052 /nfs/dbraw/zinc/29/40/52/169294052.db2.gz PKKRHMOIUDPFEF-ZYHUDNBSSA-N 0 0 191.274 2.287 10 0 AEAERN Nc1ccc([C@H]2CCCOC2)cc1 72193156 169294164 /nfs/dbraw/zinc/29/41/64/169294164.db2.gz UDQDZWKXJYMCTP-JTQLQIEISA-N 0 0 177.247 2.163 10 0 AEAERN Nc1ccc([C@@H]2CCCC(=O)C2)cc1 83254754 169294168 /nfs/dbraw/zinc/29/41/68/169294168.db2.gz JWGKULLXSNNXDU-SNVBAGLBSA-N 0 0 189.258 2.496 10 0 AEAERN Nc1ccc([C@H]2CCCC(=O)C2)cc1 83254756 169294181 /nfs/dbraw/zinc/29/41/81/169294181.db2.gz JWGKULLXSNNXDU-JTQLQIEISA-N 0 0 189.258 2.496 10 0 AEAERN Nc1ccc(SCC(F)F)nc1 37756091 169294200 /nfs/dbraw/zinc/29/42/00/169294200.db2.gz DBNBAMSAIQUNCU-UHFFFAOYSA-N 0 0 190.218 2.021 10 0 AEAERN Nc1ccc2c(c1)CCCCN2 95761083 169294329 /nfs/dbraw/zinc/29/43/29/169294329.db2.gz BCRMBODVQGTIAW-UHFFFAOYSA-N 0 0 162.236 2.017 10 0 AEAERN Nc1ccc2c(c1)ncn2C1CCC1 52853470 169294466 /nfs/dbraw/zinc/29/44/66/169294466.db2.gz BYMHIBZRSYJIFW-UHFFFAOYSA-N 0 0 187.246 2.344 10 0 AEAERN Nc1ccc2c(c1)SCCC2 82851784 169294471 /nfs/dbraw/zinc/29/44/71/169294471.db2.gz SUWPBQOEEIQXCS-UHFFFAOYSA-N 0 0 165.261 2.307 10 0 AEAERN Nc1ccc2c(c1)C(=O)CCCS2 82387936 169294498 /nfs/dbraw/zinc/29/44/98/169294498.db2.gz HJJKAEHJWLIUKD-UHFFFAOYSA-N 0 0 193.271 2.337 10 0 AEAERN Nc1ccc2c(c1)CC[C@@H]2n1ccnc1 39112707 169294587 /nfs/dbraw/zinc/29/45/87/169294587.db2.gz IFAWUDZUCXAMSJ-LBPRGKRZSA-N 0 0 199.257 2.001 10 0 AEAERN Nc1ccc2cccc(N)c2c1 39119022 169294631 /nfs/dbraw/zinc/29/46/31/169294631.db2.gz ZDWYJINCYGEEJB-UHFFFAOYSA-N 0 0 158.204 2.004 10 0 AEAERN Nc1ccc2c(c1)CC[C@H]2n1ccnc1 39112708 169294650 /nfs/dbraw/zinc/29/46/50/169294650.db2.gz IFAWUDZUCXAMSJ-GFCCVEGCSA-N 0 0 199.257 2.001 10 0 AEAERN Nc1ccc2ccc(N)c3c2c1CC3 62719379 169294702 /nfs/dbraw/zinc/29/47/02/169294702.db2.gz WUHTYRXUBRNGBL-UHFFFAOYSA-N 0 0 184.242 2.103 10 0 AEAERN Nc1ccc2c(cnn2CC2CC2)c1 8699379 169294839 /nfs/dbraw/zinc/29/48/39/169294839.db2.gz PEKWOTFOXBISQK-UHFFFAOYSA-N 0 0 187.246 2.029 10 0 AEAERN Nc1ccc2c3c([nH]c2c1)CCC3 299890174 169294905 /nfs/dbraw/zinc/29/49/05/169294905.db2.gz VHYZCAAHRKHAIL-UHFFFAOYSA-N 0 0 172.231 2.239 10 0 AEAERN Nc1ccc2cccccc1-2 34588133 169294912 /nfs/dbraw/zinc/29/49/12/169294912.db2.gz ALZUBQQDOOIRIN-UHFFFAOYSA-N 0 0 143.189 2.374 10 0 AEAERN Nc1ccc2c(c1)ncn2CC1CC1 8699366 169294947 /nfs/dbraw/zinc/29/49/47/169294947.db2.gz DVIATCNCYVLXCH-UHFFFAOYSA-N 0 0 187.246 2.029 10 0 AEAERN Nc1cccc(-c2cccnc2)c1F 47212801 169295311 /nfs/dbraw/zinc/29/53/11/169295311.db2.gz GGLOEPQCTWGMHZ-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1ccc2cocc2c1 18561860 169295317 /nfs/dbraw/zinc/29/53/17/169295317.db2.gz KQLIIQKQSUQHIM-UHFFFAOYSA-N 0 0 133.150 2.015 10 0 AEAERN Nc1cccc(-c2cncc(F)c2)c1 49576615 169295335 /nfs/dbraw/zinc/29/53/35/169295335.db2.gz PTBQDOGDEPOPKB-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1cccc(-c2cncc(O)c2)c1 65337623 169295396 /nfs/dbraw/zinc/29/53/96/169295396.db2.gz TVCYDMAKAGXBNZ-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Nc1ccc2cnn(C(F)F)c2c1 61681051 169295491 /nfs/dbraw/zinc/29/54/91/169295491.db2.gz JODKVOVROQKOSI-UHFFFAOYSA-N 0 0 183.161 2.014 10 0 AEAERN Nc1cccc(-c2cccs2)n1 40238011 169295567 /nfs/dbraw/zinc/29/55/67/169295567.db2.gz KEUMFUJNEXOHJU-UHFFFAOYSA-N 0 0 176.244 2.392 10 0 AEAERN Nc1ccc2cnn(CC3CC3)c2c1 36867319 169295620 /nfs/dbraw/zinc/29/56/20/169295620.db2.gz ORAOYIOMGMVEMN-UHFFFAOYSA-N 0 0 187.246 2.029 10 0 AEAERN Nc1cccc(-c2cncs2)c1 32006885 169295710 /nfs/dbraw/zinc/29/57/10/169295710.db2.gz VBAUJPSHKSHOIK-UHFFFAOYSA-N 0 0 176.244 2.392 10 0 AEAERN Nc1ccc2nc(CF)sc2c1 45237955 169295796 /nfs/dbraw/zinc/29/57/96/169295796.db2.gz HZLQUZMSBHIABG-UHFFFAOYSA-N 0 0 182.223 2.348 10 0 AEAERN Nc1ccc2nc(C(F)F)oc2c1 20475419 169295816 /nfs/dbraw/zinc/29/58/16/169295816.db2.gz MTZFGHUDPYQSHR-UHFFFAOYSA-N 0 0 184.145 2.348 10 0 AEAERN Nc1ccc2nc(-c3ccco3)cn2c1 33521267 169295847 /nfs/dbraw/zinc/29/58/47/169295847.db2.gz XPCMEVYDXKXANG-UHFFFAOYSA-N 0 0 199.213 2.177 10 0 AEAERN Nc1cccc(-c2ncccc2O)c1 65337620 169295975 /nfs/dbraw/zinc/29/59/75/169295975.db2.gz KVSXWTAOBUQIEN-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Nc1cccc(-c2ccc(O)cn2)c1 65355590 169296001 /nfs/dbraw/zinc/29/60/01/169296001.db2.gz ONYIXYAWIYIIAF-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Nc1cccc(-c2ccc(O)cc2)n1 82730004 169296016 /nfs/dbraw/zinc/29/60/16/169296016.db2.gz NTCNZQYHFYBXKK-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Nc1cccc(-c2ccccc2O)n1 82730006 169296049 /nfs/dbraw/zinc/29/60/49/169296049.db2.gz SBHRDRJUPNHUHL-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Nc1ccc2oc(C(F)F)nc2c1 20475418 169296060 /nfs/dbraw/zinc/29/60/60/169296060.db2.gz VJGJATZIZXZSJY-UHFFFAOYSA-N 0 0 184.145 2.348 10 0 AEAERN Nc1cccc(-c2ccccc2F)n1 44120301 169296199 /nfs/dbraw/zinc/29/61/99/169296199.db2.gz XTPPGQXNABTBCI-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1cccc(Cc2cccnc2)c1 34421286 169296316 /nfs/dbraw/zinc/29/63/16/169296316.db2.gz HHBQQQILUSSMBS-UHFFFAOYSA-N 0 0 184.242 2.255 10 0 AEAERN Nc1cccc(Nc2nccs2)c1 19432130 169296342 /nfs/dbraw/zinc/29/63/42/169296342.db2.gz LBNRLMYQLKQWEB-UHFFFAOYSA-N 0 0 191.259 2.469 10 0 AEAERN Nc1cccc(C(=O)c2ccco2)c1 49806157 169296352 /nfs/dbraw/zinc/29/63/52/169296352.db2.gz FFLIXKGKGQZJKY-UHFFFAOYSA-N 0 0 187.198 2.093 10 0 AEAERN Nc1cccc(C2(O)CCCC2)c1 75846616 169296354 /nfs/dbraw/zinc/29/63/54/169296354.db2.gz YLIZTGSPSACNPY-UHFFFAOYSA-N 0 0 177.247 2.030 10 0 AEAERN Nc1cccc(NC2CCC2)c1 52207425 169296373 /nfs/dbraw/zinc/29/63/73/169296373.db2.gz ABAPTHHSHNSBMI-UHFFFAOYSA-N 0 0 162.236 2.233 10 0 AEAERN Nc1cccc(NCc2ccncc2)c1 36720357 169296402 /nfs/dbraw/zinc/29/64/02/169296402.db2.gz JRSFCGLDJGVEQC-UHFFFAOYSA-N 0 0 199.257 2.276 10 0 AEAERN Nc1cccc(F)c1-c1ccncc1 47212792 169296466 /nfs/dbraw/zinc/29/64/66/169296466.db2.gz RZXMGOJJXZBHIA-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1cccc(NCc2ccccn2)c1 36720349 169296559 /nfs/dbraw/zinc/29/65/59/169296559.db2.gz VJTNHUAQYLLSRE-UHFFFAOYSA-N 0 0 199.257 2.276 10 0 AEAERN Nc1cccc(NC(=O)CC2CC2)c1 49728688 169296653 /nfs/dbraw/zinc/29/66/53/169296653.db2.gz SJEFYLXFNHYUSB-UHFFFAOYSA-N 0 0 190.246 2.007 10 0 AEAERN Nc1cccc(CC[C@@H]2CCCO2)c1 82389507 169296663 /nfs/dbraw/zinc/29/66/63/169296663.db2.gz GFEGLUOAAQWHPF-LBPRGKRZSA-N 0 0 191.274 2.380 10 0 AEAERN Nc1cccc(NCc2cccnc2)c1 36720358 169296685 /nfs/dbraw/zinc/29/66/85/169296685.db2.gz BQVFTPGUAAOVFK-UHFFFAOYSA-N 0 0 199.257 2.276 10 0 AEAERN Nc1cccc(N2C[C@H]3CC[C@@H]2C3)c1 49716154 169296695 /nfs/dbraw/zinc/29/66/95/169296695.db2.gz OYRWNKYYIXGDKU-JOYOIKCWSA-N 0 0 188.274 2.258 10 0 AEAERN Nc1cccc(OC2CC2)c1Cl 95737529 169296698 /nfs/dbraw/zinc/29/66/98/169296698.db2.gz FBKTYRSVJFZRDD-UHFFFAOYSA-N 0 0 183.638 2.463 10 0 AEAERN Nc1cccc(Cc2nccs2)c1 82530361 169296803 /nfs/dbraw/zinc/29/68/03/169296803.db2.gz OGQCJYYPJDPNGV-UHFFFAOYSA-N 0 0 190.271 2.316 10 0 AEAERN Nc1cccc([C@@H]2C=CCC2)c1N 95930821 169296811 /nfs/dbraw/zinc/29/68/11/169296811.db2.gz OOJXOIZLGHKGLP-MRVPVSSYSA-N 0 0 174.247 2.285 10 0 AEAERN Nc1cccc(OC/C=C/Cl)c1 38054807 169296819 /nfs/dbraw/zinc/29/68/19/169296819.db2.gz HRKCKWQUCLZVNH-GORDUTHDSA-N 0 0 183.638 2.400 10 0 AEAERN Nc1cccc(F)c1-c1cccnc1 47212790 169296835 /nfs/dbraw/zinc/29/68/35/169296835.db2.gz VTZMAOVVPGXQNE-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1cccc(C[C@@H]2CCCCO2)c1 82389318 169296852 /nfs/dbraw/zinc/29/68/52/169296852.db2.gz BZTVTTFRLPITRA-LBPRGKRZSA-N 0 0 191.274 2.380 10 0 AEAERN Nc1cccc(Cc2cncs2)c1 36203920 169296869 /nfs/dbraw/zinc/29/68/69/169296869.db2.gz MUUVRSGCEOSYHO-UHFFFAOYSA-N 0 0 190.271 2.316 10 0 AEAERN Nc1cccc(CCc2cccnc2)c1 1076033 169296926 /nfs/dbraw/zinc/29/69/26/169296926.db2.gz BPYYSSFVFMNSDJ-UHFFFAOYSA-N 0 0 198.269 2.449 10 0 AEAERN Nc1cccc(C2CCCC2)n1 44118518 169296962 /nfs/dbraw/zinc/29/69/62/169296962.db2.gz GTBGDEPTUJMNTO-UHFFFAOYSA-N 0 0 162.236 2.321 10 0 AEAERN Nc1cccc(C[C@H]2CCCCO2)c1 82389321 169296989 /nfs/dbraw/zinc/29/69/89/169296989.db2.gz BZTVTTFRLPITRA-GFCCVEGCSA-N 0 0 191.274 2.380 10 0 AEAERN Nc1cccc(CC[C@H]2CCCO2)c1 82389508 169297000 /nfs/dbraw/zinc/29/70/00/169297000.db2.gz GFEGLUOAAQWHPF-GFCCVEGCSA-N 0 0 191.274 2.380 10 0 AEAERN Nc1cccc(Nc2ccccn2)c1 19440187 169297029 /nfs/dbraw/zinc/29/70/29/169297029.db2.gz GQBOWXHZEYEJOF-UHFFFAOYSA-N 0 0 185.230 2.407 10 0 AEAERN Nc1cccc(OCc2ccco2)c1 33421342 169297043 /nfs/dbraw/zinc/29/70/43/169297043.db2.gz HQYRTPPGSGNVPE-UHFFFAOYSA-N 0 0 189.214 2.441 10 0 AEAERN Nc1cccc(CCc2ncco2)c1 82530113 169297093 /nfs/dbraw/zinc/29/70/93/169297093.db2.gz PVCWIYKCOSQNJL-UHFFFAOYSA-N 0 0 188.230 2.042 10 0 AEAERN Nc1cccc(OC2CCCCC2)n1 72192461 169297130 /nfs/dbraw/zinc/29/71/30/169297130.db2.gz SOXNODXBPSGHEV-UHFFFAOYSA-N 0 0 192.262 2.375 10 0 AEAERN Nc1cccc(COC2CCC2)c1 50519161 169297141 /nfs/dbraw/zinc/29/71/41/169297141.db2.gz BENSTJCHDVNCBX-UHFFFAOYSA-N 0 0 177.247 2.338 10 0 AEAERN Nc1cccc(C2(CO)CCCC2)c1 71478651 169297149 /nfs/dbraw/zinc/29/71/49/169297149.db2.gz NDARYXPEGJZQEV-UHFFFAOYSA-N 0 0 191.274 2.073 10 0 AEAERN Nc1cccc(Cl)c1-c1cc[nH]n1 82893721 169297207 /nfs/dbraw/zinc/29/72/07/169297207.db2.gz UKBSBTRJAIMQQF-UHFFFAOYSA-N 0 0 193.637 2.312 10 0 AEAERN Nc1cccc([C@@H]2CCCC(=O)C2)c1 83254758 169297233 /nfs/dbraw/zinc/29/72/33/169297233.db2.gz YDSIKAQAZISLLZ-SNVBAGLBSA-N 0 0 189.258 2.496 10 0 AEAERN Nc1cccc(CNc2ccccn2)c1 19776925 169297236 /nfs/dbraw/zinc/29/72/36/169297236.db2.gz KDGCQZXVWPDMMR-UHFFFAOYSA-N 0 0 199.257 2.276 10 0 AEAERN Nc1cccc(NCC2CCC2)c1 37180418 169297273 /nfs/dbraw/zinc/29/72/73/169297273.db2.gz CNSXJSZTGLWENT-UHFFFAOYSA-N 0 0 176.263 2.481 10 0 AEAERN Nc1cccc2ccc3[nH]cnc3c12 95922963 169297341 /nfs/dbraw/zinc/29/73/41/169297341.db2.gz KBRFRVICYFEYPT-UHFFFAOYSA-N 0 0 183.214 2.298 10 0 AEAERN Nc1cccc([C@H]2C=CCC2)c1N 95930819 169297407 /nfs/dbraw/zinc/29/74/07/169297407.db2.gz OOJXOIZLGHKGLP-QMMMGPOBSA-N 0 0 174.247 2.285 10 0 AEAERN Nc1cccc([C@H]2CCCOC2)c1 72193177 169297449 /nfs/dbraw/zinc/29/74/49/169297449.db2.gz PBWVFPHJLVMUMY-JTQLQIEISA-N 0 0 177.247 2.163 10 0 AEAERN Nc1cccc2nc(C3CC3)oc12 20222790 169297478 /nfs/dbraw/zinc/29/74/78/169297478.db2.gz XVLBDHCVOXENCS-UHFFFAOYSA-N 0 0 174.203 2.287 10 0 AEAERN Nc1cccc2c3c([nH]c12)CCC3 299889249 169297600 /nfs/dbraw/zinc/29/76/00/169297600.db2.gz GMMDVWJIAMUWQQ-UHFFFAOYSA-N 0 0 172.231 2.239 10 0 AEAERN Nc1cccc2c1SCCCC2=O 82387934 169297655 /nfs/dbraw/zinc/29/76/55/169297655.db2.gz HPDQBKYRZMJVMM-UHFFFAOYSA-N 0 0 193.271 2.337 10 0 AEAERN Nc1cccc([C@H]2CCCC(=O)C2)c1 83254759 169297656 /nfs/dbraw/zinc/29/76/56/169297656.db2.gz YDSIKAQAZISLLZ-JTQLQIEISA-N 0 0 189.258 2.496 10 0 AEAERN Nc1ccccc1-c1cc[nH]c1 144056506 169297724 /nfs/dbraw/zinc/29/77/24/169297724.db2.gz IRVZIKFKPZOBIK-UHFFFAOYSA-N 0 0 158.204 2.264 10 0 AEAERN Nc1cccc2[nH]c3c(c12)CCC3 76599249 169297789 /nfs/dbraw/zinc/29/77/89/169297789.db2.gz ZZIPAJOSRJDNHC-UHFFFAOYSA-N 0 0 172.231 2.239 10 0 AEAERN Nc1cccc2scc(N)c12 95932328 169297915 /nfs/dbraw/zinc/29/79/15/169297915.db2.gz IUIMCMPZKIQRBZ-UHFFFAOYSA-N 0 0 164.233 2.066 10 0 AEAERN Nc1cccc([C@@H]2CCCO2)c1 49804794 169298014 /nfs/dbraw/zinc/29/80/14/169298014.db2.gz ASKLYHXNJAODLJ-JTQLQIEISA-N 0 0 163.220 2.120 10 0 AEAERN Nc1cccc([C@H]2CCCO2)c1 49804795 169298023 /nfs/dbraw/zinc/29/80/23/169298023.db2.gz ASKLYHXNJAODLJ-SNVBAGLBSA-N 0 0 163.220 2.120 10 0 AEAERN Nc1cccc([C@@H]2CCCOC2)c1 72193176 169298029 /nfs/dbraw/zinc/29/80/29/169298029.db2.gz PBWVFPHJLVMUMY-SNVBAGLBSA-N 0 0 177.247 2.163 10 0 AEAERN Nc1cccc2[nH]c(C3CC3)nc12 36281878 169298036 /nfs/dbraw/zinc/29/80/36/169298036.db2.gz CQYAJSQEQAPDJE-UHFFFAOYSA-N 0 0 173.219 2.023 10 0 AEAERN Nc1cccc2oc(C3CC3)nc12 74412750 169298050 /nfs/dbraw/zinc/29/80/50/169298050.db2.gz KYMWKYYKJWNKNE-UHFFFAOYSA-N 0 0 174.203 2.287 10 0 AEAERN Nc1cccc2c1SCCC2 39626389 169298093 /nfs/dbraw/zinc/29/80/93/169298093.db2.gz XVLIVDNUXFJPLY-UHFFFAOYSA-N 0 0 165.261 2.307 10 0 AEAERN Nc1ccccc1Cc1cncs1 36203917 169298193 /nfs/dbraw/zinc/29/81/93/169298193.db2.gz VBYXKOPJHYEAPF-UHFFFAOYSA-N 0 0 190.271 2.316 10 0 AEAERN Nc1ccccc1CNc1ccccn1 19776926 169298212 /nfs/dbraw/zinc/29/82/12/169298212.db2.gz DMUPEFKHHCZSMB-UHFFFAOYSA-N 0 0 199.257 2.276 10 0 AEAERN Nc1ccccc1C[C@H]1CCCCO1 82389316 169298225 /nfs/dbraw/zinc/29/82/25/169298225.db2.gz LYHPOBMDSXWZAR-LLVKDONJSA-N 0 0 191.274 2.380 10 0 AEAERN Nc1ccccc1C[C@@H]1CCCCO1 82389314 169298242 /nfs/dbraw/zinc/29/82/42/169298242.db2.gz LYHPOBMDSXWZAR-NSHDSACASA-N 0 0 191.274 2.380 10 0 AEAERN Nc1ccccc1NCc1ccco1 26516330 169298249 /nfs/dbraw/zinc/29/82/49/169298249.db2.gz BVNSOWGILSPIQM-UHFFFAOYSA-N 0 0 188.230 2.474 10 0 AEAERN Nc1ccccc1CC[C@H]1CCCO1 82389506 169298267 /nfs/dbraw/zinc/29/82/67/169298267.db2.gz TYWAULKJAZZIQL-LLVKDONJSA-N 0 0 191.274 2.380 10 0 AEAERN Nc1ccccc1CC[C@@H]1CCCO1 82389505 169298274 /nfs/dbraw/zinc/29/82/74/169298274.db2.gz TYWAULKJAZZIQL-NSHDSACASA-N 0 0 191.274 2.380 10 0 AEAERN Nc1ccccc1N1C[C@H]2CC[C@@H]1C2 44390597 169298286 /nfs/dbraw/zinc/29/82/86/169298286.db2.gz XICKTEWTIROYKS-VHSXEESVSA-N 0 0 188.274 2.258 10 0 AEAERN Nc1ccccc1CCc1ncco1 82530112 169298295 /nfs/dbraw/zinc/29/82/95/169298295.db2.gz ZTHFNBYKKKJNLB-UHFFFAOYSA-N 0 0 188.230 2.042 10 0 AEAERN Nc1ccccc1-c1cncc(F)c1 49576611 169298348 /nfs/dbraw/zinc/29/83/48/169298348.db2.gz IYGCTMDXIBQGHF-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1ccccc1C1(CO)CCCC1 71478690 169298361 /nfs/dbraw/zinc/29/83/61/169298361.db2.gz KNUOJNDDBCHPHV-UHFFFAOYSA-N 0 0 191.274 2.073 10 0 AEAERN Nc1ccccc1NCC1CCC1 37180446 169298368 /nfs/dbraw/zinc/29/83/68/169298368.db2.gz ZRKWLRFTIMDBET-UHFFFAOYSA-N 0 0 176.263 2.481 10 0 AEAERN Nc1ccccc1COC1CCC1 50519160 169298389 /nfs/dbraw/zinc/29/83/89/169298389.db2.gz JDYAMLGJFIEVIJ-UHFFFAOYSA-N 0 0 177.247 2.338 10 0 AEAERN Nc1ccccc1[C@@H]1CCCC(=O)C1 96888973 169298396 /nfs/dbraw/zinc/29/83/96/169298396.db2.gz FTNDEKAHEGGOHP-SECBINFHSA-N 0 0 189.258 2.496 10 0 AEAERN Nc1ccccc1OC/C=C/Cl 38055892 169298418 /nfs/dbraw/zinc/29/84/18/169298418.db2.gz PZFUGXJEZCYHGS-ZZXKWVIFSA-N 0 0 183.638 2.400 10 0 AEAERN Nc1ccccc1Cc1ccncc1 37594125 169298423 /nfs/dbraw/zinc/29/84/23/169298423.db2.gz DCAKFEKEDOKREQ-UHFFFAOYSA-N 0 0 184.242 2.255 10 0 AEAERN Nc1ccccc1[C@@H]1CCCOC1 72193196 169298477 /nfs/dbraw/zinc/29/84/77/169298477.db2.gz TUWPGAQGXLYHGZ-SECBINFHSA-N 0 0 177.247 2.163 10 0 AEAERN Nc1ccccc1-c1cncc(O)c1 72192749 169298496 /nfs/dbraw/zinc/29/84/96/169298496.db2.gz QIRKWUIEHXPLDO-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Nc1ccccc1Cc1ccc[nH]1 28474051 169298566 /nfs/dbraw/zinc/29/85/66/169298566.db2.gz RLSUWFQQIFBLCV-UHFFFAOYSA-N 0 0 172.231 2.188 10 0 AEAERN Nc1ccccc1C1(O)CCCC1 75567627 169298585 /nfs/dbraw/zinc/29/85/85/169298585.db2.gz BCUDYCBWOJDOPG-UHFFFAOYSA-N 0 0 177.247 2.030 10 0 AEAERN Nc1ccccc1Sc1ncc[nH]1 39415322 169298630 /nfs/dbraw/zinc/29/86/30/169298630.db2.gz JTPVTUYFSZKBFJ-UHFFFAOYSA-N 0 0 191.259 2.143 10 0 AEAERN Nc1ccccc1NCc1ccncc1 20384270 169298743 /nfs/dbraw/zinc/29/87/43/169298743.db2.gz RSEKREVGGYZOEC-UHFFFAOYSA-N 0 0 199.257 2.276 10 0 AEAERN Nc1ccccc1-c1ccns1 82869154 169298748 /nfs/dbraw/zinc/29/87/48/169298748.db2.gz SEMOGSVJLHBFOK-UHFFFAOYSA-N 0 0 176.244 2.392 10 0 AEAERN Nc1ccccc1[C@H]1CCCC(=O)C1 96888974 169298770 /nfs/dbraw/zinc/29/87/70/169298770.db2.gz FTNDEKAHEGGOHP-VIFPVBQESA-N 0 0 189.258 2.496 10 0 AEAERN Nc1ccccc1NCc1ccccn1 26516802 169298814 /nfs/dbraw/zinc/29/88/14/169298814.db2.gz HBHTZCOUMFZSBJ-UHFFFAOYSA-N 0 0 199.257 2.276 10 0 AEAERN Nc1ccccc1CCOC1CCC1 52919069 169298819 /nfs/dbraw/zinc/29/88/19/169298819.db2.gz RKOOOFHXVRRFCE-UHFFFAOYSA-N 0 0 191.274 2.380 10 0 AEAERN Nc1ccccc1-c1cscn1 40887323 169298834 /nfs/dbraw/zinc/29/88/34/169298834.db2.gz DVJXGCAUVCBLIV-UHFFFAOYSA-N 0 0 176.244 2.392 10 0 AEAERN Nc1ccccc1Cc1nccs1 39274651 169298860 /nfs/dbraw/zinc/29/88/60/169298860.db2.gz FMBPBHHQRWVKFT-UHFFFAOYSA-N 0 0 190.271 2.316 10 0 AEAERN Nc1ccccc1[C@H]1CCCOC1 72193197 169298868 /nfs/dbraw/zinc/29/88/68/169298868.db2.gz TUWPGAQGXLYHGZ-VIFPVBQESA-N 0 0 177.247 2.163 10 0 AEAERN Nc1ccccc1NCc1cccnc1 20384292 169298872 /nfs/dbraw/zinc/29/88/72/169298872.db2.gz GZQLRUIXBWJYBE-UHFFFAOYSA-N 0 0 199.257 2.276 10 0 AEAERN Nc1ccccc1Nc1nccs1 79642535 169298910 /nfs/dbraw/zinc/29/89/10/169298910.db2.gz GBJLRZLHTJTIGA-UHFFFAOYSA-N 0 0 191.259 2.469 10 0 AEAERN Nc1ccccc1C1CCOCC1 72193192 169299003 /nfs/dbraw/zinc/29/90/03/169299003.db2.gz ILPZNTAHLDGQKW-UHFFFAOYSA-N 0 0 177.247 2.163 10 0 AEAERN Nc1ccccc1COCC1CC1 19870606 169299072 /nfs/dbraw/zinc/29/90/72/169299072.db2.gz BZYVCYAITCKVBJ-UHFFFAOYSA-N 0 0 177.247 2.195 10 0 AEAERN Nc1cccnc1-c1ccccc1F 47203671 169299179 /nfs/dbraw/zinc/29/91/79/169299179.db2.gz VJTULPHNSNOHQH-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1cccnc1SCC1CC1 36765431 169299212 /nfs/dbraw/zinc/29/92/12/169299212.db2.gz NOMZXYMHKWTVHO-UHFFFAOYSA-N 0 0 180.276 2.166 10 0 AEAERN Nc1ccn2c1cnc1sccc12 39115383 169299214 /nfs/dbraw/zinc/29/92/14/169299214.db2.gz URAPTMFGWMGVPN-UHFFFAOYSA-N 0 0 189.243 2.131 10 0 AEAERN Nc1cccnc1SCC(F)F 37756090 169299324 /nfs/dbraw/zinc/29/93/24/169299324.db2.gz VMCCQEJYOYAKNC-UHFFFAOYSA-N 0 0 190.218 2.021 10 0 AEAERN Nc1ccnc(-c2ccccc2F)c1 47203672 169299462 /nfs/dbraw/zinc/29/94/62/169299462.db2.gz BCAMPNACHNIWGQ-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1ccnc(Cl)c1C(F)(F)F 95768426 169299514 /nfs/dbraw/zinc/29/95/14/169299514.db2.gz UXIPKMSTTFTWPF-UHFFFAOYSA-N 0 0 196.559 2.336 10 0 AEAERN Nc1cccnc1C1CCCC1 82404779 169299551 /nfs/dbraw/zinc/29/95/51/169299551.db2.gz MBFQVPSKTKMJHE-UHFFFAOYSA-N 0 0 162.236 2.321 10 0 AEAERN Nc1cccnc1NCC1CCCC1 37258341 169299651 /nfs/dbraw/zinc/29/96/51/169299651.db2.gz ZJRIWNHVFNRDCK-UHFFFAOYSA-N 0 0 191.278 2.266 10 0 AEAERN Nc1ccn(-c2cccc(Cl)c2)n1 19732219 169300205 /nfs/dbraw/zinc/30/02/05/169300205.db2.gz YDUASLIZTNJBLQ-UHFFFAOYSA-N 0 0 193.637 2.108 10 0 AEAERN Nc1cnc(-c2cccc(F)c2)o1 71497395 169300227 /nfs/dbraw/zinc/30/02/27/169300227.db2.gz HSKQSCQLNMCVCJ-UHFFFAOYSA-N 0 0 178.166 2.063 10 0 AEAERN Nc1ccnc2c(F)cc(F)c(F)c12 61095062 169300398 /nfs/dbraw/zinc/30/03/98/169300398.db2.gz HAONTWWIKIEQGM-UHFFFAOYSA-N 0 0 198.147 2.234 10 0 AEAERN Nc1ccsc1-n1cccc1 39038386 169300400 /nfs/dbraw/zinc/30/04/00/169300400.db2.gz CRDPPCVDGLTVIO-UHFFFAOYSA-N 0 0 164.233 2.121 10 0 AEAERN Nc1cn(C2CCCC2)nc1C1CC1 20314653 169300465 /nfs/dbraw/zinc/30/04/65/169300465.db2.gz MFYSUUBWCGDFCY-UHFFFAOYSA-N 0 0 191.278 2.458 10 0 AEAERN Nc1ccoc1C(=O)c1ccccc1 149899931 169300472 /nfs/dbraw/zinc/30/04/72/169300472.db2.gz WMGMZYKZIUNTIW-UHFFFAOYSA-N 0 0 187.198 2.093 10 0 AEAERN Nc1c[nH]nc1-c1cccc(Cl)c1 42415054 169300477 /nfs/dbraw/zinc/30/04/77/169300477.db2.gz GDCRMRLHAYCXPD-UHFFFAOYSA-N 0 0 193.637 2.312 10 0 AEAERN Nc1ccnc2cc(F)c(F)c(F)c12 61122448 169300517 /nfs/dbraw/zinc/30/05/17/169300517.db2.gz JSCJXKQPYUCHNU-UHFFFAOYSA-N 0 0 198.147 2.234 10 0 AEAERN Nc1cn(-c2ccccc2Cl)cn1 72193518 169300551 /nfs/dbraw/zinc/30/05/51/169300551.db2.gz SAXWBVMSVIUVKA-UHFFFAOYSA-N 0 0 193.637 2.108 10 0 AEAERN Nc1cn(-c2ccc(Cl)cc2)cn1 72193522 169300730 /nfs/dbraw/zinc/30/07/30/169300730.db2.gz GROQNWLVQOUDFX-UHFFFAOYSA-N 0 0 193.637 2.108 10 0 AEAERN Nc1ccnc2c(F)c(F)c(F)cc12 50844066 169300762 /nfs/dbraw/zinc/30/07/62/169300762.db2.gz QPJWYGRREXKQAH-UHFFFAOYSA-N 0 0 198.147 2.234 10 0 AEAERN Nc1ccnn1[C@H]1CCc2ccccc21 19255129 169300774 /nfs/dbraw/zinc/30/07/74/169300774.db2.gz KAGABRYDYDQUAZ-NSHDSACASA-N 0 0 199.257 2.001 10 0 AEAERN Nc1ccnn1[C@@H]1CCc2ccccc21 19255127 169300797 /nfs/dbraw/zinc/30/07/97/169300797.db2.gz KAGABRYDYDQUAZ-LLVKDONJSA-N 0 0 199.257 2.001 10 0 AEAERN Nc1ccsc1C(=O)OC1CCC1 52146331 169301111 /nfs/dbraw/zinc/30/11/11/169301111.db2.gz OBXWBKKIXLLSLB-UHFFFAOYSA-N 0 0 197.259 2.040 10 0 AEAERN Nc1cnc(-c2ccc(F)cc2)o1 71497397 169301178 /nfs/dbraw/zinc/30/11/78/169301178.db2.gz CBMHVROERNKOAE-UHFFFAOYSA-N 0 0 178.166 2.063 10 0 AEAERN Nc1ccnc2c(F)c(F)cc(F)c12 61122444 169301179 /nfs/dbraw/zinc/30/11/79/169301179.db2.gz UPNGHFLAVVUTDH-UHFFFAOYSA-N 0 0 198.147 2.234 10 0 AEAERN Nc1ccnn1C1CCCCCC1 19689414 169301182 /nfs/dbraw/zinc/30/11/82/169301182.db2.gz QGMKXSJBKJBNPA-UHFFFAOYSA-N 0 0 179.267 2.361 10 0 AEAERN Nc1c[nH]nc1C1CCCCC1 42415078 169301230 /nfs/dbraw/zinc/30/12/30/169301230.db2.gz VPHZSKWFOVXBLC-UHFFFAOYSA-N 0 0 165.240 2.040 10 0 AEAERN Nc1cnc(-c2ccsc2)s1 44119798 169301428 /nfs/dbraw/zinc/30/14/28/169301428.db2.gz ZTCZDONVOLMMFK-UHFFFAOYSA-N 0 0 182.273 2.454 10 0 AEAERN Nc1cnc2[nH]cc(-c3ccoc3)c2c1 34983255 169301648 /nfs/dbraw/zinc/30/16/48/169301648.db2.gz BETOWGJYBIIACY-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN Nc1cnc(CCc2ccccc2)o1 71500143 169301746 /nfs/dbraw/zinc/30/17/46/169301746.db2.gz XKEJRHDYSIJDHV-UHFFFAOYSA-N 0 0 188.230 2.042 10 0 AEAERN Nc1cnc(CC2CCCCC2)nc1 77276609 169301890 /nfs/dbraw/zinc/30/18/90/169301890.db2.gz YEMGQFQSQXFYQK-UHFFFAOYSA-N 0 0 191.278 2.182 10 0 AEAERN Nc1cnc(C2CCCCC2)o1 71495937 169301921 /nfs/dbraw/zinc/30/19/21/169301921.db2.gz BDOVQFKDIBZTFJ-UHFFFAOYSA-N 0 0 166.224 2.305 10 0 AEAERN Nc1cnc2[nH]c(C(F)F)cc2c1 95936845 169302028 /nfs/dbraw/zinc/30/20/28/169302028.db2.gz JPXZOXVKVBQYEO-UHFFFAOYSA-N 0 0 183.161 2.083 10 0 AEAERN Nc1cnc(C2CCCCC2)cn1 44117325 169302087 /nfs/dbraw/zinc/30/20/87/169302087.db2.gz LVAMXCMFIVLZOC-UHFFFAOYSA-N 0 0 177.251 2.107 10 0 AEAERN Nc1cnc(-c2cccs2)s1 44117243 169302114 /nfs/dbraw/zinc/30/21/14/169302114.db2.gz PXHBEPKGOORLDM-UHFFFAOYSA-N 0 0 182.273 2.454 10 0 AEAERN Nc1cnc(-c2ccccc2F)o1 71497393 169302161 /nfs/dbraw/zinc/30/21/61/169302161.db2.gz BSKOTWDIUFZJAV-UHFFFAOYSA-N 0 0 178.166 2.063 10 0 AEAERN Nc1cncc(/C=C/c2ccccc2)n1 58576563 169302422 /nfs/dbraw/zinc/30/24/22/169302422.db2.gz RGEHJFYCVAQARK-VOTSOKGWSA-N 0 0 197.241 2.229 10 0 AEAERN Nc1cnn(C2CCCC2)c1C1CC1 20314716 169302433 /nfs/dbraw/zinc/30/24/33/169302433.db2.gz LSZQTAPZUMCXDW-UHFFFAOYSA-N 0 0 191.278 2.458 10 0 AEAERN Nc1cnccc1SCC(F)F 37756089 169302473 /nfs/dbraw/zinc/30/24/73/169302473.db2.gz BZFXFCKYCZLERR-UHFFFAOYSA-N 0 0 190.218 2.021 10 0 AEAERN Nc1cnn(C/C=C/c2ccccc2)c1 67799159 169302482 /nfs/dbraw/zinc/30/24/82/169302482.db2.gz UISJLSGJUKIZFM-QPJJXVBHSA-N 0 0 199.257 2.179 10 0 AEAERN Nc1cncc(C2CCCC2)c1 72192716 169302521 /nfs/dbraw/zinc/30/25/21/169302521.db2.gz ATWRPXWBROMKGJ-UHFFFAOYSA-N 0 0 162.236 2.321 10 0 AEAERN Nc1cnccc1SCC1CC1 36765430 169302557 /nfs/dbraw/zinc/30/25/57/169302557.db2.gz XMJQOAJGAJTVSC-UHFFFAOYSA-N 0 0 180.276 2.166 10 0 AEAERN Nc1cncc(C(F)(F)F)c1Cl 95768277 169302596 /nfs/dbraw/zinc/30/25/96/169302596.db2.gz YWAQICUHZGNLAT-UHFFFAOYSA-N 0 0 196.559 2.336 10 0 AEAERN Nc1cncc(C2CCCCC2)n1 44119959 169302828 /nfs/dbraw/zinc/30/28/28/169302828.db2.gz VMRMABDONRTOHP-UHFFFAOYSA-N 0 0 177.251 2.107 10 0 AEAERN Nc1cnccc1-c1ccccc1F 82391454 169302891 /nfs/dbraw/zinc/30/28/91/169302891.db2.gz PVOLWFLXXXMTDF-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1cnccc1C1CCCC1 82404784 169303066 /nfs/dbraw/zinc/30/30/66/169303066.db2.gz GPGBGOZDYHXNQD-UHFFFAOYSA-N 0 0 162.236 2.321 10 0 AEAERN Nc1cncc(Cl)c1C(F)(F)F 11919475 169303070 /nfs/dbraw/zinc/30/30/70/169303070.db2.gz RSSOKUSECIBBBX-UHFFFAOYSA-N 0 0 196.559 2.336 10 0 AEAERN Nc1cncc2cccc(Cl)c12 82805223 169303147 /nfs/dbraw/zinc/30/31/47/169303147.db2.gz UPIYGMDSPMOHHX-UHFFFAOYSA-N 0 0 178.622 2.470 10 0 AEAERN Nc1cscc1C1CC1 82410398 169303376 /nfs/dbraw/zinc/30/33/76/169303376.db2.gz YXZZPIAMFYLUKC-UHFFFAOYSA-N 0 0 139.223 2.208 10 0 AEAERN Nc1cnsc1-c1ccccc1 82398663 169303716 /nfs/dbraw/zinc/30/37/16/169303716.db2.gz DGEAOVLDSWDPHZ-UHFFFAOYSA-N 0 0 176.244 2.392 10 0 AEAERN Nc1n[nH]c(C2CC2)c1-c1ccco1 77274513 169303915 /nfs/dbraw/zinc/30/39/15/169303915.db2.gz HOASPFYRGWEPRH-UHFFFAOYSA-N 0 0 189.218 2.129 10 0 AEAERN Nc1n[nH]c(=S)n1C1CCCCC1 1065916 169303977 /nfs/dbraw/zinc/30/39/77/169303977.db2.gz KMEWVGDAVVIJBO-UHFFFAOYSA-N 0 0 198.295 2.028 10 0 AEAERN Nc1nc(-c2ccc(F)cc2F)co1 50266261 169304499 /nfs/dbraw/zinc/30/44/99/169304499.db2.gz KCDZVZUKUKPCJF-UHFFFAOYSA-N 0 0 196.156 2.202 10 0 AEAERN Nc1nc(C2CCC2)nc2ccccc12 72192254 169304508 /nfs/dbraw/zinc/30/45/08/169304508.db2.gz IWJCTNCOWRTFAK-UHFFFAOYSA-N 0 0 199.257 2.480 10 0 AEAERN Nc1nc(C2CCCCC2)co1 50266326 169304573 /nfs/dbraw/zinc/30/45/73/169304573.db2.gz XNSYWEVELKRAPT-UHFFFAOYSA-N 0 0 166.224 2.305 10 0 AEAERN Nc1nc(C2CCC2)c2ccccc2n1 72192288 169304575 /nfs/dbraw/zinc/30/45/75/169304575.db2.gz IOGHKFBXKIAFTM-UHFFFAOYSA-N 0 0 199.257 2.480 10 0 AEAERN Nc1nc(-c2cccs2)c(N)s1 82531112 169304588 /nfs/dbraw/zinc/30/45/88/169304588.db2.gz UNDZXOPVVFJCLN-UHFFFAOYSA-N 0 0 197.288 2.036 10 0 AEAERN Nc1nc(C2CCCCC2)c(N)s1 74372124 169304597 /nfs/dbraw/zinc/30/45/97/169304597.db2.gz ROYAWFNGHVEQDN-UHFFFAOYSA-N 0 0 197.307 2.355 10 0 AEAERN Nc1nc(-c2cccc(F)c2)co1 50266312 169304644 /nfs/dbraw/zinc/30/46/44/169304644.db2.gz XAAYTUNYEXNMOU-UHFFFAOYSA-N 0 0 178.166 2.063 10 0 AEAERN Nc1nc(C2CC2)nc2sccc12 50841245 169304648 /nfs/dbraw/zinc/30/46/48/169304648.db2.gz VBSPIBDYLNSCSM-UHFFFAOYSA-N 0 0 191.259 2.151 10 0 AEAERN Nc1nc(-c2cc(F)ccc2F)co1 50266299 169304863 /nfs/dbraw/zinc/30/48/63/169304863.db2.gz KASVFMOKKDHWIB-UHFFFAOYSA-N 0 0 196.156 2.202 10 0 AEAERN Nc1nc(C2CC2)nc2ccccc12 72192256 169304872 /nfs/dbraw/zinc/30/48/72/169304872.db2.gz OBOOQAIOZGNLOM-UHFFFAOYSA-N 0 0 185.230 2.089 10 0 AEAERN Nc1nc(C2CC2)c2ccccc2n1 72192290 169305046 /nfs/dbraw/zinc/30/50/46/169305046.db2.gz VFSFMZLGIIZKPM-UHFFFAOYSA-N 0 0 185.230 2.089 10 0 AEAERN Nc1nc(CCc2ccco2)cs1 41206694 169305117 /nfs/dbraw/zinc/30/51/17/169305117.db2.gz RIDATRLQNDVWIL-UHFFFAOYSA-N 0 0 194.259 2.104 10 0 AEAERN Nc1nc(-c2ccc(F)cc2)co1 50266289 169305150 /nfs/dbraw/zinc/30/51/50/169305150.db2.gz ANTIKVAJAUKENU-UHFFFAOYSA-N 0 0 178.166 2.063 10 0 in-vitro AEAERN Nc1nc(Cl)c(-c2cccs2)[nH]1 75601423 169305461 /nfs/dbraw/zinc/30/54/61/169305461.db2.gz AYTAOPHZNIMUIJ-UHFFFAOYSA-N 0 0 199.666 2.374 10 0 AEAERN Nc1nc(F)c(Cl)c(F)c1Cl 39117427 169305510 /nfs/dbraw/zinc/30/55/10/169305510.db2.gz QTCVIDFNFYIXIE-UHFFFAOYSA-N 0 0 198.987 2.249 10 0 AEAERN Nc1nc(COC2CCCC2)cs1 36732463 169306021 /nfs/dbraw/zinc/30/60/21/169306021.db2.gz CLESOINYFZPDFH-UHFFFAOYSA-N 0 0 198.291 2.185 10 0 AEAERN Nc1nc(Cl)c(-c2ccccc2)[nH]1 75581514 169306123 /nfs/dbraw/zinc/30/61/23/169306123.db2.gz BDGGEJUPYYDTOD-UHFFFAOYSA-N 0 0 193.637 2.312 10 0 AEAERN Nc1nc2c(s1)-c1ccccc1C2 29336803 169306526 /nfs/dbraw/zinc/30/65/26/169306526.db2.gz TZPXJBWEIPGYDR-UHFFFAOYSA-N 0 0 188.255 2.297 10 0 AEAERN Nc1nc2cc3c(cc2o1)CCCC3 62520540 169306565 /nfs/dbraw/zinc/30/65/65/169306565.db2.gz IRGATVWXCVQFPO-UHFFFAOYSA-N 0 0 188.230 2.289 10 0 AEAERN Nc1nc2cc(F)cc(Cl)c2o1 52066059 169306590 /nfs/dbraw/zinc/30/65/90/169306590.db2.gz YITNXYQUTPOGQL-UHFFFAOYSA-N 0 0 186.573 2.203 10 0 AEAERN Nc1nc2c(F)cccc2n1C1CC1 37421192 169306785 /nfs/dbraw/zinc/30/67/85/169306785.db2.gz PQOUAMJECVUHKI-UHFFFAOYSA-N 0 0 191.209 2.093 10 0 AEAERN Nc1nc2cc3c(cc2s1)CCC3 45237186 169306806 /nfs/dbraw/zinc/30/68/06/169306806.db2.gz MPVRQOFISAAHEX-UHFFFAOYSA-N 0 0 190.271 2.367 10 0 AEAERN Nc1nc2cc(Cl)c(N)cc2s1 45237148 169306885 /nfs/dbraw/zinc/30/68/85/169306885.db2.gz GOJYBTNKJGLCQF-UHFFFAOYSA-N 0 0 199.666 2.114 10 0 AEAERN Nc1ncc(-c2ccsc2)s1 72204639 169307655 /nfs/dbraw/zinc/30/76/55/169307655.db2.gz OGFINXNHWHHMTH-UHFFFAOYSA-N 0 0 182.273 2.454 10 0 AEAERN Nc1ncc(-c2ccc(F)c(F)c2)o1 71507263 169307742 /nfs/dbraw/zinc/30/77/42/169307742.db2.gz MJDAONRYSXZVDN-UHFFFAOYSA-N 0 0 196.156 2.202 10 0 AEAERN Nc1nc2sccc2n2cccc12 34156378 169307831 /nfs/dbraw/zinc/30/78/31/169307831.db2.gz XFMQTHTWNFUGHS-UHFFFAOYSA-N 0 0 189.243 2.131 10 0 AEAERN Nc1nc2ccccc2n2cccc12 39114461 169307877 /nfs/dbraw/zinc/30/78/77/169307877.db2.gz ACHXUKXQJXYLFC-UHFFFAOYSA-N 0 0 183.214 2.070 10 0 AEAERN Nc1ncc(-c2ccccc2)cc1F 47207224 169308001 /nfs/dbraw/zinc/30/80/01/169308001.db2.gz KSOTWXALHCUBMA-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1ncc(C2CCCCCC2)cn1 196432727 169308161 /nfs/dbraw/zinc/30/81/61/169308161.db2.gz IBXZCSHRIQCESP-UHFFFAOYSA-N 0 0 191.278 2.497 10 0 AEAERN Nc1ncc(Cl)c(F)c1Cl 299890274 169308194 /nfs/dbraw/zinc/30/81/94/169308194.db2.gz WZZKHZMBFVDRLM-UHFFFAOYSA-N 0 0 180.997 2.110 10 0 AEAERN Nc1ncc(-c2ccc(F)cc2F)o1 71507264 169308303 /nfs/dbraw/zinc/30/83/03/169308303.db2.gz QOJGNPPXEATYNY-UHFFFAOYSA-N 0 0 196.156 2.202 10 0 AEAERN Nc1ncc(-c2cc(F)ccc2F)o1 71507262 169308374 /nfs/dbraw/zinc/30/83/74/169308374.db2.gz HJWLQKUMHAIXIW-UHFFFAOYSA-N 0 0 196.156 2.202 10 0 AEAERN Nc1ncccc1-c1ccc(O)cc1 82729944 169308605 /nfs/dbraw/zinc/30/86/05/169308605.db2.gz FPWAPXWDOARZNG-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Nc1ncc(F)cc1-c1ccccc1 47207226 169308674 /nfs/dbraw/zinc/30/86/74/169308674.db2.gz HREWVMSLQBUQJM-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1ncccc1-c1cccc(O)c1 82729945 169308792 /nfs/dbraw/zinc/30/87/92/169308792.db2.gz NXDNRSGLMAVQSW-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Nc1ncccc1-c1ccc(F)cc1 47203669 169308830 /nfs/dbraw/zinc/30/88/30/169308830.db2.gz WBCAUNBIPXTHOV-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1ncccc1-c1ccccc1F 47203666 169309013 /nfs/dbraw/zinc/30/90/13/169309013.db2.gz QIRXEUCXRFIVGG-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Nc1nccc2c(Cl)cccc12 34162332 169309061 /nfs/dbraw/zinc/30/90/61/169309061.db2.gz OJTVYVJEOXXWPI-UHFFFAOYSA-N 0 0 178.622 2.470 10 0 AEAERN Nc1nccc2c1[nH]c1ccccc12 6117989 169309118 /nfs/dbraw/zinc/30/91/18/169309118.db2.gz CTVJIUHXFMNMFP-UHFFFAOYSA-N 0 0 183.214 2.298 10 0 AEAERN Nc1ncccc1COC1CCCC1 52734168 169309181 /nfs/dbraw/zinc/30/91/81/169309181.db2.gz XXGZELVECODHAM-UHFFFAOYSA-N 0 0 192.262 2.123 10 0 AEAERN Nc1nccc(C2CCCCC2)n1 52812023 169309250 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169418999 /nfs/dbraw/zinc/41/89/99/169418999.db2.gz XFYWBUGOBMPEEZ-UHFFFAOYSA-N 0 0 189.189 2.181 10 0 AEAERN O=c1cc[nH]c(-c2ccsc2)c1 44118367 169419164 /nfs/dbraw/zinc/41/91/64/169419164.db2.gz BCAZVLNCYOKEIT-UHFFFAOYSA-N 0 0 177.228 2.103 10 0 AEAERN O=c1cc[nH]cc1-c1ccc(F)cc1 47204629 169419283 /nfs/dbraw/zinc/41/92/83/169419283.db2.gz CHYLGNOJLCYRSC-UHFFFAOYSA-N 0 0 189.189 2.181 10 0 AEAERN O=c1cc2c(c[nH]1)[nH]c1ccccc12 13490715 169419373 /nfs/dbraw/zinc/41/93/73/169419373.db2.gz UDTDJSXOXQLKGM-UHFFFAOYSA-N 0 0 184.198 2.009 10 0 AEAERN O=c1ccc(-c2ccccc2)co1 40640686 169420404 /nfs/dbraw/zinc/42/04/04/169420404.db2.gz VEJMOQMVVDANIO-UHFFFAOYSA-N 0 0 172.183 2.307 10 0 AEAERN O=c1ccon1CC1CCCCC1 306403245 169420886 /nfs/dbraw/zinc/42/08/86/169420886.db2.gz SDRUEHADENBBTC-UHFFFAOYSA-N 0 0 181.235 2.022 10 0 AEAERN O=c1ccsn1-c1ccc(F)cc1 45302238 169421044 /nfs/dbraw/zinc/42/10/44/169421044.db2.gz GLHQFZAWFHDNFE-UHFFFAOYSA-N 0 0 195.218 2.038 10 0 AEAERN OC/C=C/C=C/c1ccccc1 22004057 169421847 /nfs/dbraw/zinc/42/18/47/169421847.db2.gz VEWUTMSLGMROMK-VDESZNBCSA-N 0 0 160.216 2.248 10 0 AEAERN OC(c1nccs1)(C1CC1)C1CC1 111871193 169421865 /nfs/dbraw/zinc/42/18/65/169421865.db2.gz RJQSEHYLMCTUAK-UHFFFAOYSA-N 0 0 195.287 2.151 10 0 AEAERN OC1(c2cncc(F)c2)CCCCC1 49576890 169421902 /nfs/dbraw/zinc/42/19/02/169421902.db2.gz VABICKQNERQTRJ-UHFFFAOYSA-N 0 0 195.237 2.372 10 0 AEAERN OC1CCCCCCCC1 5133736 169421987 /nfs/dbraw/zinc/42/19/87/169421987.db2.gz UDEKCKABZJKCKG-UHFFFAOYSA-N 0 0 142.242 2.482 10 0 AEAERN OC1(c2cccnc2)CCCCC1 37761164 169422051 /nfs/dbraw/zinc/42/20/51/169422051.db2.gz RQVUTKSQWGATIZ-UHFFFAOYSA-N 0 0 177.247 2.233 10 0 AEAERN OC1(c2ccccn2)CCCCC1 25503544 169422391 /nfs/dbraw/zinc/42/23/91/169422391.db2.gz PLANJDCYAMHXKN-UHFFFAOYSA-N 0 0 177.247 2.233 10 0 AEAERN OC1C[C@H]2CCCCC[C@@H]2C1 39059520 169423448 /nfs/dbraw/zinc/42/34/48/169423448.db2.gz HDGFYCWYJLZXGR-RKDXNWHRSA-N 0 0 154.253 2.338 10 0 AEAERN OCC=C=C1CCCCC1 36458564 169424185 /nfs/dbraw/zinc/42/41/85/169424185.db2.gz DGTRYDKHEUOWHG-UHFFFAOYSA-N 0 0 138.210 2.024 10 0 AEAERN OCC1(Nc2ccccc2)CCCC1 38112657 169424245 /nfs/dbraw/zinc/42/42/45/169424245.db2.gz GZSVHHVMUPAQKS-UHFFFAOYSA-N 0 0 191.274 2.404 10 0 AEAERN OCCCCCCOc1ccccn1 39116771 169424528 /nfs/dbraw/zinc/42/45/28/169424528.db2.gz NHKPSOATVBVVSD-UHFFFAOYSA-N 0 0 195.262 2.013 10 0 AEAERN OCCC1=Cc2ccccc2C1 34268574 169424984 /nfs/dbraw/zinc/42/49/84/169424984.db2.gz BRXNLRFZWGHVTN-UHFFFAOYSA-N 0 0 160.216 2.009 10 0 AEAERN OCCC1(F)CCCCC1 39088271 169425018 /nfs/dbraw/zinc/42/50/18/169425018.db2.gz DFJVMMDRRNANBC-UHFFFAOYSA-N 0 0 146.205 2.041 10 0 AEAERN OCCCCc1ccc2c(c1)CCC2 36156606 169425066 /nfs/dbraw/zinc/42/50/66/169425066.db2.gz YTVHSSVCEWPOOE-UHFFFAOYSA-N 0 0 190.286 2.490 10 0 AEAERN OCCCc1ccc2scnc2c1 82588713 169426210 /nfs/dbraw/zinc/42/62/10/169426210.db2.gz UVKNUTROTZEEKY-UHFFFAOYSA-N 0 0 193.271 2.221 10 0 AEAERN OCCCc1ccc2ncccc2c1 44396168 169426223 /nfs/dbraw/zinc/42/62/23/169426223.db2.gz LSPGCBXDYQRQAM-UHFFFAOYSA-N 0 0 187.242 2.160 10 0 AEAERN OCCCc1cccc2[nH]ccc12 44383842 169426325 /nfs/dbraw/zinc/42/63/25/169426325.db2.gz UCTYHXOLZCRTIJ-UHFFFAOYSA-N 0 0 175.231 2.093 10 0 AEAERN OCCCc1ccc2cccnc2c1 44396169 169426602 /nfs/dbraw/zinc/42/66/02/169426602.db2.gz NYJSALAIHPVBMK-UHFFFAOYSA-N 0 0 187.242 2.160 10 0 AEAERN OCCCc1ccc2cc[nH]c2c1 44396021 169426607 /nfs/dbraw/zinc/42/66/07/169426607.db2.gz YIRJTYGGPFMICF-UHFFFAOYSA-N 0 0 175.231 2.093 10 0 AEAERN OCCO[C@@H]1CCCc2ccccc21 44220530 169428679 /nfs/dbraw/zinc/42/86/79/169428679.db2.gz ZFWHXSWANXWSPW-GFCCVEGCSA-N 0 0 192.258 2.073 10 0 AEAERN Cc1ccc(C)c(C(F)(F)CN)c1 137039382 343983303 /nfs/dbraw/zinc/98/33/03/343983303.db2.gz WGOHMAXZFDTDMB-UHFFFAOYSA-N 0 0 185.217 2.354 10 0 AEAERN OCC[C@H]1CNc2ccc(Cl)cc21 71486839 169429369 /nfs/dbraw/zinc/42/93/69/169429369.db2.gz JNQIDCUGFQKWRI-ZETCQYMHSA-N 0 0 197.665 2.232 10 0 AEAERN OCC[C@@H]1CCc2ccc(F)cc21 41201206 169429460 /nfs/dbraw/zinc/42/94/60/169429460.db2.gz QEBMFDRLUURNPT-VIFPVBQESA-N 0 0 180.222 2.238 10 0 AEAERN OCC[C@H]1CCOc2c(F)cccc21 41207287 169429467 /nfs/dbraw/zinc/42/94/67/169429467.db2.gz TYBNTCRRMRIDJC-QMMMGPOBSA-N 0 0 196.221 2.074 10 0 AEAERN OCC[C@H]1CCc2cc(F)ccc21 8699857 169429732 /nfs/dbraw/zinc/42/97/32/169429732.db2.gz DYDZLIAITOPEQO-MRVPVSSYSA-N 0 0 180.222 2.238 10 0 AEAERN OCC[C@@H]1CCc2c1ccc(F)c2F 39112651 169429823 /nfs/dbraw/zinc/42/98/23/169429823.db2.gz PTVUAUJRRSITIB-ZETCQYMHSA-N 0 0 198.212 2.377 10 0 AEAERN OCCc1noc2ccc(Cl)cc12 31887519 169430637 /nfs/dbraw/zinc/43/06/37/169430637.db2.gz JYEKHODZXJCABK-UHFFFAOYSA-N 0 0 197.621 2.016 10 0 AEAERN OCCc1cccc(-n2cccc2)c1 44381267 169430782 /nfs/dbraw/zinc/43/07/82/169430782.db2.gz CVCYMMRDEOOFEB-UHFFFAOYSA-N 0 0 187.242 2.012 10 0 AEAERN OC[C@@H](c1ccccc1)C1CC1 41167763 169431981 /nfs/dbraw/zinc/43/19/81/169431981.db2.gz LAVDCOPZAKVBLB-NSHDSACASA-N 0 0 162.232 2.173 10 0 AEAERN OC[C@@H]1CCc2cccc(Cl)c2C1 57937650 169432928 /nfs/dbraw/zinc/43/29/28/169432928.db2.gz YTWRGVNUXBTNGG-MRVPVSSYSA-N 0 0 196.677 2.437 10 0 AEAERN OC[C@H](Nc1ccccc1F)C1CC1 41047719 169434287 /nfs/dbraw/zinc/43/42/87/169434287.db2.gz LBDWUYOYKBRQBH-NSHDSACASA-N 0 0 195.237 2.009 10 0 AEAERN OC[C@H](c1ccccc1)n1cccc1 5487008 169434294 /nfs/dbraw/zinc/43/42/94/169434294.db2.gz HNHGTZLBKUVDPS-GFCCVEGCSA-N 0 0 187.242 2.070 10 0 AEAERN OC[C@H](c1ccccc1)C1CC1 41167761 169434641 /nfs/dbraw/zinc/43/46/41/169434641.db2.gz LAVDCOPZAKVBLB-LLVKDONJSA-N 0 0 162.232 2.173 10 0 AEAERN OC[C@H]1CCC[C@H]2CCC[C@H]12 39111652 169435910 /nfs/dbraw/zinc/43/59/10/169435910.db2.gz JAZXFQSTFJATMJ-AEJSXWLSSA-N 0 0 154.253 2.195 10 0 AEAERN OC[C@H]1CCc2cc(Cl)ccc2C1 57937646 169435936 /nfs/dbraw/zinc/43/59/36/169435936.db2.gz KALCBKARABCUDW-QMMMGPOBSA-N 0 0 196.677 2.437 10 0 AEAERN OCc1cc(-c2ccccc2)co1 44198404 169437297 /nfs/dbraw/zinc/43/72/97/169437297.db2.gz XMJWSQOIXPVWDH-UHFFFAOYSA-N 0 0 174.199 2.439 10 0 AEAERN OCc1cc2c(nc1Cl)CCCC2 49811827 169437712 /nfs/dbraw/zinc/43/77/12/169437712.db2.gz OLFGAVAOGICFNV-UHFFFAOYSA-N 0 0 197.665 2.106 10 0 AEAERN OCc1cc(Cl)cc2cnccc12 82778880 169437791 /nfs/dbraw/zinc/43/77/91/169437791.db2.gz JYWHWEWKRFUOKG-UHFFFAOYSA-N 0 0 193.633 2.381 10 0 AEAERN OCc1c[nH]c2cc(Cl)ccc12 36947697 169437924 /nfs/dbraw/zinc/43/79/24/169437924.db2.gz RIMNIYWGQYXADN-UHFFFAOYSA-N 0 0 181.622 2.314 10 0 AEAERN OCc1ccc2c(Cl)cccc2n1 57348591 169438257 /nfs/dbraw/zinc/43/82/57/169438257.db2.gz OBZLHFDVRJUODB-UHFFFAOYSA-N 0 0 193.633 2.381 10 0 AEAERN OCc1ccc2c3c(cccc13)CC2 44198585 169438279 /nfs/dbraw/zinc/43/82/79/169438279.db2.gz YUCKUNMNPXXICR-UHFFFAOYSA-N 0 0 184.238 2.431 10 0 AEAERN OCc1ccc2c(n1)CCCCCC2 196566599 169438281 /nfs/dbraw/zinc/43/82/81/169438281.db2.gz QTDWFTCSIKASNF-UHFFFAOYSA-N 0 0 191.274 2.233 10 0 AEAERN OCc1ccc2cc(F)cc(F)c2n1 62567804 169438328 /nfs/dbraw/zinc/43/83/28/169438328.db2.gz VKGCQRFSTRBWFW-UHFFFAOYSA-N 0 0 195.168 2.005 10 0 AEAERN OCc1ccc(-c2ccncc2)s1 12370804 169438345 /nfs/dbraw/zinc/43/83/45/169438345.db2.gz GDGUQNXUEMPEKM-UHFFFAOYSA-N 0 0 191.255 2.302 10 0 in-vitro AEAERN OCc1ccc2nc(C3CC3)oc2c1 75411187 169438367 /nfs/dbraw/zinc/43/83/67/169438367.db2.gz JNRIKGGATKBCPY-UHFFFAOYSA-N 0 0 189.214 2.198 10 0 AEAERN OCc1ccc(O)c2ccccc12 44198543 169438759 /nfs/dbraw/zinc/43/87/59/169438759.db2.gz BIDVSJJBQAJPDF-UHFFFAOYSA-N 0 0 174.199 2.038 10 0 AEAERN OCc1cccc(NC2CCC2)c1 44481253 169438840 /nfs/dbraw/zinc/43/88/40/169438840.db2.gz UJZSJRVKKVXTRB-UHFFFAOYSA-N 0 0 177.247 2.143 10 0 AEAERN OCc1ccccc1OC/C=C/Cl 20032613 169439720 /nfs/dbraw/zinc/43/97/20/169439720.db2.gz DKJMIRHTIZOGCN-ZZXKWVIFSA-N 0 0 198.649 2.310 10 0 AEAERN OCc1cccc2cccc(O)c12 8731880 169439776 /nfs/dbraw/zinc/43/97/76/169439776.db2.gz KDCNEKCUDQLJFN-UHFFFAOYSA-N 0 0 174.199 2.038 10 0 AEAERN OCc1nccc2ccc(Cl)cc12 82778894 169440085 /nfs/dbraw/zinc/44/00/85/169440085.db2.gz CLIPHUJLUMKRPA-UHFFFAOYSA-N 0 0 193.633 2.381 10 0 AEAERN OCc1nc(-c2cccs2)cs1 49811772 169440696 /nfs/dbraw/zinc/44/06/96/169440696.db2.gz VWPSTPSGTWVLJD-UHFFFAOYSA-N 0 0 197.284 2.364 10 0 AEAERN ONCc1cccc(Cl)c1Cl 38841201 169441037 /nfs/dbraw/zinc/44/10/37/169441037.db2.gz VGVZAOQBRZGGQC-UHFFFAOYSA-N 0 0 192.045 2.472 10 0 AEAERN OP(O)CCCCc1ccccc1 100320278 169442372 /nfs/dbraw/zinc/44/23/72/169442372.db2.gz ZJLCWRUFLIMZFW-UHFFFAOYSA-N 0 0 198.202 2.306 10 0 AEAERN O[C@@H](c1ccc2c(c1)CCO2)C1CC1 40245529 169442628 /nfs/dbraw/zinc/44/26/28/169442628.db2.gz NSOLGLSZQJHQEV-GFCCVEGCSA-N 0 0 190.242 2.065 10 0 AEAERN O[C@@H](Cc1ccc(F)cc1)C1CC1 32007433 169442779 /nfs/dbraw/zinc/44/27/79/169442779.db2.gz KAYRSAFDFRRPPH-NSHDSACASA-N 0 0 180.222 2.139 10 0 AEAERN O[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 40243645 169442813 /nfs/dbraw/zinc/44/28/13/169442813.db2.gz RGXFSWMQDAOTLS-MNOVXSKESA-N 0 0 196.221 2.038 10 0 AEAERN O[C@@H](c1ccccc1)c1cncs1 34213225 169442856 /nfs/dbraw/zinc/44/28/56/169442856.db2.gz GJRHMLMGHIYYOP-JTQLQIEISA-N 0 0 191.255 2.225 10 0 AEAERN O[C@@H](c1cccnc1)c1ccsc1 37761644 169442948 /nfs/dbraw/zinc/44/29/48/169442948.db2.gz AFTAWHGYQRPMLI-JTQLQIEISA-N 0 0 191.255 2.225 10 0 AEAERN O[C@@H]1CC/C=C/CC/C=C/CC[C@H]1O 11549378 169443067 /nfs/dbraw/zinc/44/30/67/169443067.db2.gz BHYILZSOXKSYCF-HPWUHRQSSA-N 0 0 196.290 2.175 10 0 AEAERN O[C@@H](Cc1ccccc1F)C1CC1 32007426 169443129 /nfs/dbraw/zinc/44/31/29/169443129.db2.gz ULQGXOPIQMLTNA-NSHDSACASA-N 0 0 180.222 2.139 10 0 AEAERN O[C@@H](c1ccncc1)c1cccs1 34354770 169443142 /nfs/dbraw/zinc/44/31/42/169443142.db2.gz AFMUZNDJPKEPQU-JTQLQIEISA-N 0 0 191.255 2.225 10 0 AEAERN O[C@@H](c1ccncc1)c1ccsc1 75871002 169443236 /nfs/dbraw/zinc/44/32/36/169443236.db2.gz MRBOISZZRCYKNT-JTQLQIEISA-N 0 0 191.255 2.225 10 0 AEAERN O[C@@H](c1cncc(F)c1)C1CCCC1 49577128 169443284 /nfs/dbraw/zinc/44/32/84/169443284.db2.gz INIUYTJRXISSRR-LLVKDONJSA-N 0 0 195.237 2.444 10 0 AEAERN O[C@@H]1CC=Cc2ccccc21 20982935 169443300 /nfs/dbraw/zinc/44/33/00/169443300.db2.gz TVZQDMRKJSXJPZ-SNVBAGLBSA-N 0 0 146.189 2.137 10 0 AEAERN O[C@@H]1CCCC[C@H]1Cc1ccccn1 62169059 169443631 /nfs/dbraw/zinc/44/36/31/169443631.db2.gz RTLJVKSCHRSMRV-CMPLNLGQSA-N 0 0 191.274 2.175 10 0 AEAERN O[C@@H]1CCCOc2ccc(F)cc21 62566859 169443668 /nfs/dbraw/zinc/44/36/68/169443668.db2.gz KZULNOFRPULWCX-SECBINFHSA-N 0 0 182.194 2.032 10 0 AEAERN O[C@@H]1CCCCCC[C@@H]1OCC1CC1 44232320 169443953 /nfs/dbraw/zinc/44/39/53/169443953.db2.gz HYYURTCMLXLZMZ-NEPJUHHUSA-N 0 0 198.306 2.497 10 0 AEAERN O[C@@H]1CCCCCC[C@H]1OCC1CC1 44232324 169444063 /nfs/dbraw/zinc/44/40/63/169444063.db2.gz HYYURTCMLXLZMZ-VXGBXAGGSA-N 0 0 198.306 2.497 10 0 AEAERN O[C@@H]1CCC[C@@H]1CCc1ccccn1 76635166 169444069 /nfs/dbraw/zinc/44/40/69/169444069.db2.gz LEZDUMQTJAPBJW-ZYHUDNBSSA-N 0 0 191.274 2.175 10 0 AEAERN O[C@@H]1CCCC[C@H]1Cc1ccncc1 62169074 169444112 /nfs/dbraw/zinc/44/41/12/169444112.db2.gz LNTFHJPYMJTSPB-NWDGAFQWSA-N 0 0 191.274 2.175 10 0 AEAERN O[C@@H]1CCCOc2cc(F)ccc21 62566864 169444158 /nfs/dbraw/zinc/44/41/58/169444158.db2.gz FPYDOPMWBSWULG-SECBINFHSA-N 0 0 182.194 2.032 10 0 AEAERN O[C@@H]1CCCC[C@@H]1Nc1ccccc1 34534504 169444353 /nfs/dbraw/zinc/44/43/53/169444353.db2.gz ABSZYEUMTNJQPI-NWDGAFQWSA-N 0 0 191.274 2.402 10 0 AEAERN O[C@@H]1CCC[C@@H]2C=CC[C@@H]3C=C[C@@]132 39111353 169444603 /nfs/dbraw/zinc/44/46/03/169444603.db2.gz ZYXDSWWSQJYPJV-QCNOEVLYSA-N 0 0 176.259 2.280 10 0 AEAERN O[C@@H]1CCC[C@@H]1c1cccc(F)c1 15440766 169444965 /nfs/dbraw/zinc/44/49/65/169444965.db2.gz ARVGKJBSGIRSTQ-GHMZBOCLSA-N 0 0 180.222 2.454 10 0 AEAERN O[C@@H]1CCCc2sccc21 34186151 169445139 /nfs/dbraw/zinc/44/51/39/169445139.db2.gz WNIWYCSFEZILAE-SSDOTTSWSA-N 0 0 154.234 2.118 10 0 AEAERN O[C@@H]1CCC[C@@H]1OCC1CCCCC1 52156296 169445673 /nfs/dbraw/zinc/44/56/73/169445673.db2.gz NGTAIVPEBGHJIS-NEPJUHHUSA-N 0 0 198.306 2.497 10 0 AEAERN O[C@@H]1CCSc2c(F)cccc21 37180228 169445824 /nfs/dbraw/zinc/44/58/24/169445824.db2.gz XTSNNJGOOATVTI-MRVPVSSYSA-N 0 0 184.235 2.355 10 0 AEAERN O[C@@H]1CCO[C@H](c2ccccc2F)C1 69850751 169446060 /nfs/dbraw/zinc/44/60/60/169446060.db2.gz KNBZQHIMGJFERB-KCJUWKMLSA-N 0 0 196.221 2.038 10 0 AEAERN O[C@@H]1CC[C@@H](c2cccs2)C1 58518294 169446117 /nfs/dbraw/zinc/44/61/17/169446117.db2.gz VZNJNRLEIOFWDF-HTQZYQBOSA-N 0 0 168.261 2.377 10 0 AEAERN O[C@@H]1CCc2cc3c(cc21)CCC3 39202580 169446130 /nfs/dbraw/zinc/44/61/30/169446130.db2.gz SSHRZYMMYHDXII-GFCCVEGCSA-N 0 0 174.243 2.155 10 0 AEAERN O[C@H](CF)Sc1ccc(F)cc1 95934985 169448332 /nfs/dbraw/zinc/44/83/32/169448332.db2.gz OHXPEIBUBDQPGS-QMMMGPOBSA-N 0 0 190.214 2.206 10 0 AEAERN O[C@H](C[C@@H]1CCCO1)C1CCCC1 37465080 169448348 /nfs/dbraw/zinc/44/83/48/169448348.db2.gz MZPIKDKGEQQDJR-WDEREUQCSA-N 0 0 184.279 2.107 10 0 AEAERN O[C@@]12CCCC[C@H]1CCC2 17191250 169448365 /nfs/dbraw/zinc/44/83/65/169448365.db2.gz KMGJVGCSNRGWHH-DTWKUNHWSA-N 0 0 140.226 2.092 10 0 AEAERN O[C@H](C[C@@H]1CCCO1)c1cccs1 40237800 169448388 /nfs/dbraw/zinc/44/83/88/169448388.db2.gz BUSCBUSDIBVHPO-DTWKUNHWSA-N 0 0 198.287 2.351 10 0 AEAERN O[C@H](CC(F)(F)F)c1cccnc1 42413160 169448913 /nfs/dbraw/zinc/44/89/13/169448913.db2.gz RXOWULOWNLBJOL-SSDOTTSWSA-N 0 0 191.152 2.067 10 0 AEAERN O[C@H](COCC1CC1)c1ccccc1 44232305 169449074 /nfs/dbraw/zinc/44/90/74/169449074.db2.gz UYPNAFDJCRKYPE-GFCCVEGCSA-N 0 0 192.258 2.147 10 0 AEAERN O[C@H](C1=CCCC1)c1ccoc1 50329196 169449130 /nfs/dbraw/zinc/44/91/30/169449130.db2.gz OVHRKYFHGLSYRR-SNVBAGLBSA-N 0 0 164.204 2.423 10 0 AEAERN O[C@H](Cc1ccncc1)c1ccccc1 5331902 169449165 /nfs/dbraw/zinc/44/91/65/169449165.db2.gz YYLRFMVZSNSOIG-CYBMUJFWSA-N 0 0 199.253 2.358 10 0 AEAERN O[C@H](c1ccncc1)C1CCCC1 37464818 169449442 /nfs/dbraw/zinc/44/94/42/169449442.db2.gz ZKJKKZQBXAGUDR-NSHDSACASA-N 0 0 177.247 2.305 10 0 AEAERN O[C@H](c1ccccc1)c1cncs1 34213226 169449680 /nfs/dbraw/zinc/44/96/80/169449680.db2.gz GJRHMLMGHIYYOP-SNVBAGLBSA-N 0 0 191.255 2.225 10 0 AEAERN O[C@H](c1ccccc1)[C@H]1CCCCO1 50971545 169449726 /nfs/dbraw/zinc/44/97/26/169449726.db2.gz SLRCSZJKXUIYEI-VXGBXAGGSA-N 0 0 192.258 2.289 10 0 AEAERN O[C@H](c1ccccc1)[C@@H]1CCCCO1 50971542 169449800 /nfs/dbraw/zinc/44/98/00/169449800.db2.gz SLRCSZJKXUIYEI-NWDGAFQWSA-N 0 0 192.258 2.289 10 0 AEAERN O[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 40243644 169449850 /nfs/dbraw/zinc/44/98/50/169449850.db2.gz RGXFSWMQDAOTLS-WDEREUQCSA-N 0 0 196.221 2.038 10 0 AEAERN O[C@H](c1cnccn1)C1CCCCC1 37465680 169450148 /nfs/dbraw/zinc/45/01/48/169450148.db2.gz RCWRKGTZSLDION-NSHDSACASA-N 0 0 192.262 2.090 10 0 AEAERN O[C@H](c1ccccc1)c1ccoc1 39208625 169450149 /nfs/dbraw/zinc/45/01/49/169450149.db2.gz VIXPONJJTFDPMT-LLVKDONJSA-N 0 0 174.199 2.361 10 0 AEAERN O[C@H]1CCCC[C@H]1Nc1ccccc1 34534498 169451324 /nfs/dbraw/zinc/45/13/24/169451324.db2.gz ABSZYEUMTNJQPI-NEPJUHHUSA-N 0 0 191.274 2.402 10 0 AEAERN O[C@H]1CCCC[C@@H]1CC1CCOCC1 52175138 169451383 /nfs/dbraw/zinc/45/13/83/169451383.db2.gz KOENSCDGDOKHIF-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN O[C@H]1CCCc2sccc21 34186152 169451631 /nfs/dbraw/zinc/45/16/31/169451631.db2.gz WNIWYCSFEZILAE-ZETCQYMHSA-N 0 0 154.234 2.118 10 0 AEAERN O[C@H]1CCC[C@H]1CCc1ccncc1 76635153 169451893 /nfs/dbraw/zinc/45/18/93/169451893.db2.gz WIFDQNXXTAHFHN-RYUDHWBXSA-N 0 0 191.274 2.175 10 0 AEAERN O[C@H]1CCC[C@H]1OCC1CCCCC1 52156290 169452443 /nfs/dbraw/zinc/45/24/43/169452443.db2.gz NGTAIVPEBGHJIS-NWDGAFQWSA-N 0 0 198.306 2.497 10 0 AEAERN O[C@H]1CCCc2c1ccn2C1CC1 41712476 169452453 /nfs/dbraw/zinc/45/24/53/169452453.db2.gz YIRPOFGFXNQSIF-NSHDSACASA-N 0 0 177.247 2.193 10 0 AEAERN O[C@H]1CCC[C@H](c2ccccc2)O1 38892305 169452658 /nfs/dbraw/zinc/45/26/58/169452658.db2.gz YPBBZYCPASYNKJ-GHMZBOCLSA-N 0 0 178.231 2.247 10 0 AEAERN O[C@H]1CC[C@@H](c2ccccc2)C1 1711943 169452942 /nfs/dbraw/zinc/45/29/42/169452942.db2.gz UNJYZTUGOGDRPP-MNOVXSKESA-N 0 0 162.232 2.315 10 0 AEAERN O[C@H]1CC[C@H]2CCCC[C@H]2C1 8602619 169453470 /nfs/dbraw/zinc/45/34/70/169453470.db2.gz UPMAOXLCTXPPAG-UTLUCORTSA-N 0 0 154.253 2.338 10 0 AEAERN O[C@H]1CCSC2(CCCC2)C1 82399865 169453655 /nfs/dbraw/zinc/45/36/55/169453655.db2.gz XKSMEIWGXCAHSM-QMMMGPOBSA-N 0 0 172.293 2.187 10 0 AEAERN O[C@H]1CCSc2c(F)cccc21 37180226 169453859 /nfs/dbraw/zinc/45/38/59/169453859.db2.gz XTSNNJGOOATVTI-QMMMGPOBSA-N 0 0 184.235 2.355 10 0 AEAERN O[C@H]1CC[C@H](c2ccccc2F)C1 58519531 169453867 /nfs/dbraw/zinc/45/38/67/169453867.db2.gz ATENGCFHADRBDI-IUCAKERBSA-N 0 0 180.222 2.454 10 0 AEAERN O[C@H]1CCNc2c(Cl)cccc21 71479897 169453903 /nfs/dbraw/zinc/45/39/03/169453903.db2.gz ARWPMVKBANWMIA-QMMMGPOBSA-N 0 0 183.638 2.189 10 0 AEAERN O[C@H]1C[C@@H]2C[C@H]1c1ccccc12 34518933 169454534 /nfs/dbraw/zinc/45/45/34/169454534.db2.gz HWIOWHLYKDUPQA-SWPVVBRQSA-N 0 0 160.216 2.022 10 0 AEAERN O[C@]1(C(F)(F)F)C[C@H]2CC[C@@H]1C2 34286660 169455669 /nfs/dbraw/zinc/45/56/69/169455669.db2.gz KQYCGMBEIDNWKA-RRKCRQDMSA-N 0 0 180.169 2.100 10 0 AEAERN O[C@]12CCCC[C@@H]1CCC2 17191246 169455790 /nfs/dbraw/zinc/45/57/90/169455790.db2.gz KMGJVGCSNRGWHH-BDAKNGLRSA-N 0 0 140.226 2.092 10 0 AEAERN Oc1ccc(-c2nc(Cl)c[nH]2)cc1 75597269 169455917 /nfs/dbraw/zinc/45/59/17/169455917.db2.gz OISWFTFMHHDQQC-UHFFFAOYSA-N 0 0 194.621 2.436 10 0 AEAERN Oc1cc(Cl)c2c(c1)NCC2 82401208 169455995 /nfs/dbraw/zinc/45/59/95/169455995.db2.gz GFPHBWIYOAYJHC-UHFFFAOYSA-N 0 0 169.611 2.014 10 0 AEAERN Oc1cc2c3c(c1)CCC3CC2 83253854 169456465 /nfs/dbraw/zinc/45/64/65/169456465.db2.gz DHESKHCUABCULD-UHFFFAOYSA-N 0 0 160.216 2.368 10 0 AEAERN Oc1ccc(-c2ccoc2)nc1 44121479 169456583 /nfs/dbraw/zinc/45/65/83/169456583.db2.gz NUHDOVQUUCDZBR-UHFFFAOYSA-N 0 0 161.160 2.047 10 0 AEAERN Oc1ccc(-c2cccc(O)c2)nc1 65355598 169456959 /nfs/dbraw/zinc/45/69/59/169456959.db2.gz KETZBLVDYQEWTJ-UHFFFAOYSA-N 0 0 187.198 2.160 10 0 AEAERN Oc1ccc(-c2ccco2)nc1 44121494 169457066 /nfs/dbraw/zinc/45/70/66/169457066.db2.gz RFJAXTWRVNSADK-UHFFFAOYSA-N 0 0 161.160 2.047 10 0 AEAERN Oc1ccc2[nH]c3cccnc3c2c1 28089646 169457555 /nfs/dbraw/zinc/45/75/55/169457555.db2.gz NYZURWHDDKWNDP-UHFFFAOYSA-N 0 0 184.198 2.422 10 0 AEAERN Oc1ccc([C@H]2OCCS2)cc1 90693491 169457648 /nfs/dbraw/zinc/45/76/48/169457648.db2.gz RANRGJKPOOVNGX-VIFPVBQESA-N 0 0 182.244 2.154 10 0 AEAERN Oc1ccc(OCC2CC2)c(F)c1 95723632 169457662 /nfs/dbraw/zinc/45/76/62/169457662.db2.gz CMCMOLTZRSOFFW-UHFFFAOYSA-N 0 0 182.194 2.320 10 0 AEAERN Oc1ccc([C@@H]2CCCO2)cc1 5046410 169457696 /nfs/dbraw/zinc/45/76/96/169457696.db2.gz IUSPLBQETIEWCQ-JTQLQIEISA-N 0 0 164.204 2.244 10 0 AEAERN Oc1ccc2c(c1)SCC2 39343483 169458050 /nfs/dbraw/zinc/45/80/50/169458050.db2.gz ADLXYQZCQWIJGO-UHFFFAOYSA-N 0 0 152.218 2.040 10 0 AEAERN Oc1ccc([C@@H]2OCCS2)cc1 90693490 169458379 /nfs/dbraw/zinc/45/83/79/169458379.db2.gz RANRGJKPOOVNGX-SECBINFHSA-N 0 0 182.244 2.154 10 0 AEAERN Oc1cccc(-c2ncccc2O)c1 65337632 169458643 /nfs/dbraw/zinc/45/86/43/169458643.db2.gz IYYPFQWKICOCHT-UHFFFAOYSA-N 0 0 187.198 2.160 10 0 AEAERN Oc1cccc(-c2ncco2)c1 79274671 169458648 /nfs/dbraw/zinc/45/86/48/169458648.db2.gz SPRWRLULVAMMPV-UHFFFAOYSA-N 0 0 161.160 2.047 10 0 AEAERN Oc1ccccc1Nn1cccc1 28758599 169459055 /nfs/dbraw/zinc/45/90/55/169459055.db2.gz FCOOKTYMYZQRKJ-UHFFFAOYSA-N 0 0 174.203 2.069 10 0 AEAERN Oc1ccccc1NCc1ccc[nH]1 83341358 169459401 /nfs/dbraw/zinc/45/94/01/169459401.db2.gz NZSRVLSYZIITNB-UHFFFAOYSA-N 0 0 188.230 2.332 10 0 AEAERN Oc1cccnc1C1CCC1 39051022 169459472 /nfs/dbraw/zinc/45/94/72/169459472.db2.gz BRMPQNUYWBXQHJ-UHFFFAOYSA-N 0 0 149.193 2.055 10 0 AEAERN Oc1ccccc1C1(F)CC1 39059406 169459479 /nfs/dbraw/zinc/45/94/79/169459479.db2.gz LYQMSEXVBOSTCT-UHFFFAOYSA-N 0 0 152.168 2.351 10 0 AEAERN Oc1ccccc1[C@H]1CCCOC1 72193199 169459666 /nfs/dbraw/zinc/45/96/66/169459666.db2.gz BFFNEXWQRYMSGI-VIFPVBQESA-N 0 0 178.231 2.286 10 0 AEAERN Oc1ccccc1O[C@@H]1CCCCO1 39268661 169459840 /nfs/dbraw/zinc/45/98/40/169459840.db2.gz BHPHFSDXPZXEMK-LLVKDONJSA-N 0 0 194.230 2.298 10 0 in-vitro AEAERN O=c1[nH][nH]c2[nH]c(-c3ccccc3)cc12 72416658 169460159 /nfs/dbraw/zinc/46/01/59/169460159.db2.gz WOBSWOLRCJDWMQ-UHFFFAOYSA-N 0 0 199.213 2.264 10 0 AEAERN Oc1cncc(-c2ccccc2O)c1 65337628 169460486 /nfs/dbraw/zinc/46/04/86/169460486.db2.gz ITRLESRTFIBWRQ-UHFFFAOYSA-N 0 0 187.198 2.160 10 0 AEAERN O=C1CSC(c2ccoc2)=N1 44118973 169461186 /nfs/dbraw/zinc/46/11/86/169461186.db2.gz VNDDDKPPDNFVHY-UHFFFAOYSA-N 0 0 167.189 2.109 10 0 AEAERN S=C1CCc2ccccc2O1 34075690 169462304 /nfs/dbraw/zinc/46/23/04/169462304.db2.gz UTGDOQSBKSZHMC-UHFFFAOYSA-N 0 0 164.229 2.339 10 0 AEAERN S=C1CCCC2=CCCN12 100292271 169462342 /nfs/dbraw/zinc/46/23/42/169462342.db2.gz MKNOTLVZYNWYJL-UHFFFAOYSA-N 0 0 153.250 2.087 10 0 AEAERN S=c1[nH]ccn1CC1CCC1 37180916 169462773 /nfs/dbraw/zinc/46/27/73/169462773.db2.gz KZYSTMVWILOHBA-UHFFFAOYSA-N 0 0 168.265 2.346 10 0 AEAERN S=c1[nH]cc(-c2ccccn2)[nH]1 82703660 169462800 /nfs/dbraw/zinc/46/28/00/169462800.db2.gz PASABGWPZZCGGT-UHFFFAOYSA-N 0 0 177.232 2.134 10 0 AEAERN S=c1[nH]ncn1C(C1CC1)C1CC1 49236136 169462908 /nfs/dbraw/zinc/46/29/08/169462908.db2.gz VPQHWKDNLBWTJO-UHFFFAOYSA-N 0 0 195.291 2.302 10 0 AEAERN S=c1[nH]c2c([nH]1)CCCCC2 48522867 169462963 /nfs/dbraw/zinc/46/29/63/169462963.db2.gz LXFIEMOCCLEXQW-UHFFFAOYSA-N 0 0 168.265 2.341 10 0 AEAERN S=c1ncc2c([nH]1)CCCCC2 72417106 169463008 /nfs/dbraw/zinc/46/30/08/169463008.db2.gz AQDALAGDNIMYFW-UHFFFAOYSA-N 0 0 180.276 2.408 10 0 AEAERN S=c1[nH]ccn1Cc1nccs1 2913 169463085 /nfs/dbraw/zinc/46/30/85/169463085.db2.gz LIIANBASYUTIRS-UHFFFAOYSA-N 0 0 197.288 2.050 10 0 AEAERN S=c1cccco1 32297149 169463174 /nfs/dbraw/zinc/46/31/74/169463174.db2.gz SCXKWEIRWVHPIN-UHFFFAOYSA-N 0 0 112.153 2.009 10 0 AEAERN Cc1c(F)cccc1F 71614067 169468349 /nfs/dbraw/zinc/46/83/49/169468349.db2.gz JDPGNOQXCBIPBA-UHFFFAOYSA-N 0 0 127.113 2.147 10 0 AEAERN Cc1ccccc1F 71614130 169468815 /nfs/dbraw/zinc/46/88/15/169468815.db2.gz OZLCDNXZLVPENH-UHFFFAOYSA-N 0 0 109.123 2.008 10 0 AEAERN Cc1ccc(F)cc1 59720810 169468833 /nfs/dbraw/zinc/46/88/33/169468833.db2.gz GHVKACNJJWQXIV-UHFFFAOYSA-N 0 0 109.123 2.008 10 0 AEAERN Cc1cc(F)ccc1C(F)(F)CN 137040525 343983314 /nfs/dbraw/zinc/98/33/14/343983314.db2.gz CIMCATKIIUXSIL-UHFFFAOYSA-N 0 0 189.180 2.185 10 0 AEAERN c1cc(-c2ccsc2)on1 2548507 169469798 /nfs/dbraw/zinc/46/97/98/169469798.db2.gz PXKGAEGLWIPBFD-UHFFFAOYSA-N 0 0 151.190 2.403 10 0 AEAERN c1cc(-c2n[nH]c(C3CC3)n2)cs1 41057551 169469802 /nfs/dbraw/zinc/46/98/02/169469802.db2.gz BGBUIZHBBYBFQO-UHFFFAOYSA-N 0 0 191.259 2.411 10 0 AEAERN c1cc(-c2noc3c2CCN3)cs1 3704211 169469838 /nfs/dbraw/zinc/46/98/38/169469838.db2.gz FJXWEHXCIDATHV-UHFFFAOYSA-N 0 0 192.243 2.371 10 0 AEAERN c1cc(-c2cncs2)ccn1 75838425 169469864 /nfs/dbraw/zinc/46/98/64/169469864.db2.gz NXUBYNYAZDYXBU-UHFFFAOYSA-N 0 0 162.217 2.205 10 0 AEAERN c1c[nH]c([C@@H]2NCc3ccccc3N2)c1 196209060 169469892 /nfs/dbraw/zinc/46/98/92/169469892.db2.gz FKPMYIGBMRWIJF-GFCCVEGCSA-N 0 0 199.257 2.229 10 0 AEAERN c1cc(-c2nccs2)ccn1 19976264 169469923 /nfs/dbraw/zinc/46/99/23/169469923.db2.gz ISISZAZLEGLXEO-UHFFFAOYSA-N 0 0 162.217 2.205 10 0 AEAERN c1cc(-c2cnc3[nH]cnc3c2)ccn1 39285690 169469949 /nfs/dbraw/zinc/46/99/49/169469949.db2.gz CJFDRYVHAYFUEU-UHFFFAOYSA-N 0 0 196.213 2.020 10 0 AEAERN c1cc(NCC2CCCCC2)ncn1 40863065 169470192 /nfs/dbraw/zinc/47/01/92/169470192.db2.gz KBRGCUYZDIKPJP-UHFFFAOYSA-N 0 0 191.278 2.469 10 0 AEAERN c1cc(Cc2ccncc2)ccn1 34064499 169470199 /nfs/dbraw/zinc/47/01/99/169470199.db2.gz VJCSMTPTFZQWNS-UHFFFAOYSA-N 0 0 170.215 2.067 10 0 AEAERN c1cc(N2CCCC2)cs1 38881727 169470718 /nfs/dbraw/zinc/47/07/18/169470718.db2.gz NRXVFIWZULCQGB-UHFFFAOYSA-N 0 0 153.250 2.348 10 0 AEAERN c1cc(NC(C2CC2)C2CC2)ncn1 49235824 169470886 /nfs/dbraw/zinc/47/08/86/169470886.db2.gz VESJFKLHABWTOO-UHFFFAOYSA-N 0 0 189.262 2.077 10 0 AEAERN c1cc(NCC2CC2)c2n[nH]cc2c1 37100520 169470997 /nfs/dbraw/zinc/47/09/97/169470997.db2.gz GPRPLTNRDIKGJI-UHFFFAOYSA-N 0 0 187.246 2.385 10 0 AEAERN c1cc(OC2CCCC2)ccn1 306655749 169471018 /nfs/dbraw/zinc/47/10/18/169471018.db2.gz YPEPUHGMORNYCA-UHFFFAOYSA-N 0 0 163.220 2.403 10 0 AEAERN c1cc2[nH]c3ccsc3n2c1 39081732 169472601 /nfs/dbraw/zinc/47/26/01/169472601.db2.gz NSACDCPGEKLKKZ-UHFFFAOYSA-N 0 0 162.217 2.482 10 0 AEAERN c1cc2c(o1)CCCCN2 90755225 169473145 /nfs/dbraw/zinc/47/31/45/169473145.db2.gz LEMPFEJJOVDFDJ-UHFFFAOYSA-N 0 0 137.182 2.028 10 0 AEAERN c1cc2cc3n[nH]cc3cc2o1 39136312 169473317 /nfs/dbraw/zinc/47/33/17/169473317.db2.gz KXXIXFOSKCKVNV-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN c1cc2cc(C3OCCO3)ccc2o1 44231533 169473590 /nfs/dbraw/zinc/47/35/90/169473590.db2.gz GVSAVOSXGQHQMR-UHFFFAOYSA-N 0 0 190.198 2.478 10 0 AEAERN c1cc2c3cnoc3ccn2c1 39113013 169473665 /nfs/dbraw/zinc/47/36/65/169473665.db2.gz JWAOUBYVIPWLGQ-UHFFFAOYSA-N 0 0 158.160 2.081 10 0 AEAERN c1cc2c(cc1[C@@H]1CCCO1)OCO2 34115970 169473676 /nfs/dbraw/zinc/47/36/76/169473676.db2.gz QCJOBFOJNSHFBZ-VIFPVBQESA-N 0 0 192.214 2.267 10 0 AEAERN c1ccc(-c2cnn3c2CCC3)cc1 900111 169473804 /nfs/dbraw/zinc/47/38/04/169473804.db2.gz FOJCJLSJZFQCID-UHFFFAOYSA-N 0 0 184.242 2.496 10 0 in-vitro AEAERN c1cc2nccc3o[nH]c(c1)c23 39113024 169474348 /nfs/dbraw/zinc/47/43/48/169474348.db2.gz RIBKSQJFTAYWPO-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN c1cc2cscc2o1 34598875 169474408 /nfs/dbraw/zinc/47/44/08/169474408.db2.gz FZXOORLHDQZVHN-UHFFFAOYSA-N 0 0 124.164 2.494 10 0 AEAERN c1cc2ccc3cnoc3n2c1 39113018 169474472 /nfs/dbraw/zinc/47/44/72/169474472.db2.gz BKTZVIWXGILJCL-UHFFFAOYSA-N 0 0 158.160 2.081 10 0 AEAERN c1cc2oc3cocc3n2c1 39079773 169474670 /nfs/dbraw/zinc/47/46/70/169474670.db2.gz WRVMNWJLMFOTSZ-UHFFFAOYSA-N 0 0 147.133 2.279 10 0 AEAERN c1ccc(-c2[nH]nc3ncncc23)cc1 89222234 169475048 /nfs/dbraw/zinc/47/50/48/169475048.db2.gz ZORPWQUATWYYIV-UHFFFAOYSA-N 0 0 196.213 2.020 10 0 AEAERN c1ccc(C[C@H]2CCN=N2)cc1 39134019 169475663 /nfs/dbraw/zinc/47/56/63/169475663.db2.gz LFUSYBZVXHQCJU-SNVBAGLBSA-N 0 0 160.220 2.454 10 0 AEAERN c1ccc(CNc2cn[nH]c2)cc1 35763758 169475671 /nfs/dbraw/zinc/47/56/71/169475671.db2.gz MZWCJHBQVSYRHX-UHFFFAOYSA-N 0 0 173.219 2.022 10 0 AEAERN c1ccc(CNc2cc[nH]n2)cc1 78774177 169475894 /nfs/dbraw/zinc/47/58/94/169475894.db2.gz WBQHFVBVPJJRAE-UHFFFAOYSA-N 0 0 173.219 2.022 10 0 AEAERN c1ccc(N2C3CCC2CC3)nc1 13474759 169475949 /nfs/dbraw/zinc/47/59/49/169475949.db2.gz YOAMNICQXAJQJO-UHFFFAOYSA-N 0 0 174.247 2.213 10 0 AEAERN c1ccc(Cc2ccncn2)cc1 32208667 169475952 /nfs/dbraw/zinc/47/59/52/169475952.db2.gz BXACYQRHBZMYQH-UHFFFAOYSA-N 0 0 170.215 2.067 10 0 AEAERN c1ccc(Cc2cccnn2)cc1 32208671 169476013 /nfs/dbraw/zinc/47/60/13/169476013.db2.gz VSAGNNLBESKHMW-UHFFFAOYSA-N 0 0 170.215 2.067 10 0 AEAERN c1ccc(C[C@@H]2CCN=N2)cc1 39134018 169476045 /nfs/dbraw/zinc/47/60/45/169476045.db2.gz LFUSYBZVXHQCJU-JTQLQIEISA-N 0 0 160.220 2.454 10 0 AEAERN c1ccc(NCc2cn[nH]c2)cc1 62777495 169476738 /nfs/dbraw/zinc/47/67/38/169476738.db2.gz ZCJMHTXRUGLURX-UHFFFAOYSA-N 0 0 173.219 2.022 10 0 AEAERN c1ccc(NCc2ccncn2)cc1 54788527 169477089 /nfs/dbraw/zinc/47/70/89/169477089.db2.gz WNAYLDWWKVBQEV-UHFFFAOYSA-N 0 0 185.230 2.089 10 0 AEAERN c1ccc(Oc2ccon2)cc1 45814188 169477278 /nfs/dbraw/zinc/47/72/78/169477278.db2.gz FPRMWUTWLHCKPT-UHFFFAOYSA-N 0 0 161.160 2.467 10 0 AEAERN c1ccc2nc3[nH]ccc3nc2c1 100318580 169478108 /nfs/dbraw/zinc/47/81/08/169478108.db2.gz AONANEPQLYPBPR-UHFFFAOYSA-N 0 0 169.187 2.063 10 0 AEAERN c1ccc2[nH]c(Cn3cccc3)nc2c1 1519959 169478183 /nfs/dbraw/zinc/47/81/83/169478183.db2.gz SVAYWWKLCLDUFZ-UHFFFAOYSA-N 0 0 197.241 2.413 10 0 AEAERN c1ccc2[nH]c(-c3ccnnc3)nc2c1 95923057 169478277 /nfs/dbraw/zinc/47/82/77/169478277.db2.gz YNHIKJLYIMGVEX-UHFFFAOYSA-N 0 0 196.213 2.020 10 0 AEAERN c1ccc2c(c1)CC[C@H]2c1c[nH]cn1 90755054 169478503 /nfs/dbraw/zinc/47/85/03/169478503.db2.gz ABBXOJTZYKLTBP-LLVKDONJSA-N 0 0 184.242 2.488 10 0 AEAERN c1ccc2c(c1)Cc1cnoc1-2 39113009 169478557 /nfs/dbraw/zinc/47/85/57/169478557.db2.gz NFTSCUQQJPGNNG-UHFFFAOYSA-N 0 0 157.172 2.246 10 0 AEAERN c1ccc2c(c1)CO[C@@]21CCCO1 96347758 169478590 /nfs/dbraw/zinc/47/85/90/169478590.db2.gz HDPSVHYMMCEOCS-NSHDSACASA-N 0 0 176.215 2.180 10 0 AEAERN c1ccc2c(c1)COS2 104683667 169478676 /nfs/dbraw/zinc/47/86/76/169478676.db2.gz XBHQQCZRNQGMEL-UHFFFAOYSA-N 0 0 138.191 2.224 10 0 AEAERN c1ccc2c(c1)C[C@H](Cn1cccc1)O2 51087158 169479434 /nfs/dbraw/zinc/47/94/34/169479434.db2.gz OCTSBVRUYHMDDL-GFCCVEGCSA-N 0 0 199.253 2.492 10 0 AEAERN c1ccc2c(c1)SNS2 34527728 169479618 /nfs/dbraw/zinc/47/96/18/169479618.db2.gz HRGJGSMWEWNJOH-UHFFFAOYSA-N 0 0 155.247 2.304 10 0 AEAERN c1ccc2c(c1)cc1[nH]ccn12 45803042 169479792 /nfs/dbraw/zinc/47/97/92/169479792.db2.gz MUTOFSWRJMAKRH-UHFFFAOYSA-N 0 0 156.188 2.421 10 0 AEAERN c1ccc2c(c1)ncn2[C@H]1CCCO1 39074860 169479813 /nfs/dbraw/zinc/47/98/13/169479813.db2.gz ZRNBULRZQUQJID-LLVKDONJSA-N 0 0 188.230 2.345 10 0 AEAERN c1ccc2c(c1)nc1ccon12 95923163 169480184 /nfs/dbraw/zinc/48/01/84/169480184.db2.gz CNKLEFLZUBEUBP-UHFFFAOYSA-N 0 0 158.160 2.081 10 0 AEAERN c1ccc2c(c1)NCc1c[nH]nc1O2 82391856 169480195 /nfs/dbraw/zinc/48/01/95/169480195.db2.gz DNPZMWYGUNXTNR-UHFFFAOYSA-N 0 0 187.202 2.128 10 0 AEAERN c1ccc2c(c1)nc1n2CSCC1 13219319 169480297 /nfs/dbraw/zinc/48/02/97/169480297.db2.gz YWLAXDROTUETHO-UHFFFAOYSA-N 0 0 190.271 2.283 10 0 AEAERN c1ccc2c(c1)[nH]c1cccn12 95923063 169480410 /nfs/dbraw/zinc/48/04/10/169480410.db2.gz CTTMASDELHSUQP-UHFFFAOYSA-N 0 0 156.188 2.421 10 0 AEAERN c1ccc2c(c1)Oc1nc[nH]c1O2 100216589 169480505 /nfs/dbraw/zinc/48/05/05/169480505.db2.gz LGIGZOAZLWNKFQ-UHFFFAOYSA-N 0 0 174.159 2.308 10 0 AEAERN c1ccc2c(c1)ncn2Cn1cccc1 95923174 169480575 /nfs/dbraw/zinc/48/05/75/169480575.db2.gz JRGBCIKWLSODAP-UHFFFAOYSA-N 0 0 197.241 2.344 10 0 AEAERN c1ccc2c(c1)Nc1c[nH]nc1O2 83272095 169480610 /nfs/dbraw/zinc/48/06/10/169480610.db2.gz SYABAFKCOWFVJS-UHFFFAOYSA-N 0 0 173.175 2.259 10 0 AEAERN c1ccc2oc(-c3c[nH]cn3)nc2c1 75883700 169481155 /nfs/dbraw/zinc/48/11/55/169481155.db2.gz YMTXLKWBVVLGDZ-UHFFFAOYSA-N 0 0 185.186 2.218 10 0 AEAERN c1ccn(CC2CCC2)c1 35651150 169481285 /nfs/dbraw/zinc/48/12/85/169481285.db2.gz ZGQJUJBGLFZRRC-UHFFFAOYSA-N 0 0 135.210 2.288 10 0 AEAERN c1ccc2oc(-c3cnccn3)nc2c1 6283598 169481527 /nfs/dbraw/zinc/48/15/27/169481527.db2.gz JXAJHSBLIJWAQV-UHFFFAOYSA-N 0 0 197.197 2.285 10 0 AEAERN c1ccn2c(C3CCCC3)nnc2c1 75840885 169481695 /nfs/dbraw/zinc/48/16/95/169481695.db2.gz PLZXUWDVEYLQKX-UHFFFAOYSA-N 0 0 187.246 2.387 10 0 AEAERN c1ccc2nc(-n3cccn3)ccc2c1 34286518 169481712 /nfs/dbraw/zinc/48/17/12/169481712.db2.gz FCJVMVPFOBWFCW-UHFFFAOYSA-N 0 0 195.225 2.421 10 0 AEAERN c1ccn(-c2nnc(C3CC3)s2)c1 155112 169481732 /nfs/dbraw/zinc/48/17/32/169481732.db2.gz QFBVSEVZDCQTGX-UHFFFAOYSA-N 0 0 191.259 2.206 10 0 AEAERN c1ccn(-c2ccoc2)c1 39078014 169481823 /nfs/dbraw/zinc/48/18/23/169481823.db2.gz XMSOWHPQMAZTPW-UHFFFAOYSA-N 0 0 133.150 2.070 10 0 AEAERN c1cnc(C2SCCCS2)nc1 222926900 169482761 /nfs/dbraw/zinc/48/27/61/169482761.db2.gz VWVZHGZAAVTHHB-UHFFFAOYSA-N 0 0 198.316 2.345 10 0 AEAERN c1cncc(-c2ccco2)c1 38292435 169483640 /nfs/dbraw/zinc/48/36/40/169483640.db2.gz LBMOJGOXBWNXHS-UHFFFAOYSA-N 0 0 145.161 2.342 10 0 AEAERN c1cnnc(NCC2CCCC2)c1 52815997 169483987 /nfs/dbraw/zinc/48/39/87/169483987.db2.gz GZCYYKQJQMZCLW-UHFFFAOYSA-N 0 0 177.251 2.079 10 0 AEAERN c1cnnc(SC2CCC2)c1 306427359 169484171 /nfs/dbraw/zinc/48/41/71/169484171.db2.gz IXINEYNOKQTMHQ-UHFFFAOYSA-N 0 0 166.249 2.121 10 0 AEAERN c1coc(-c2nc3c(s2)CCN3)c1 41205866 169484652 /nfs/dbraw/zinc/48/46/52/169484652.db2.gz IWSJWBRNSFJLBY-UHFFFAOYSA-N 0 0 192.243 2.371 10 0 AEAERN c1coc(NC2CCCCC2)n1 1623466 169484919 /nfs/dbraw/zinc/48/49/19/169484919.db2.gz HZFQHZAHJGPFTJ-UHFFFAOYSA-N 0 0 166.224 2.419 10 0 AEAERN c1csc(-c2cscn2)n1 34133195 169485451 /nfs/dbraw/zinc/48/54/51/169485451.db2.gz GPIIIOMWTNQGFI-UHFFFAOYSA-N 0 0 168.246 2.267 10 0 AEAERN c1csc(-c2noc3c2CCN3)c1 3704103 169485659 /nfs/dbraw/zinc/48/56/59/169485659.db2.gz OHKIMFURIXAFAU-UHFFFAOYSA-N 0 0 192.243 2.371 10 0 AEAERN c1n[nH]cc1NC(C1CC1)C1CC1 35763916 169486738 /nfs/dbraw/zinc/48/67/38/169486738.db2.gz XKADTHHLYGWVSC-UHFFFAOYSA-N 0 0 177.251 2.010 10 0 AEAERN c1csc(CNCc2cnco2)c1 41050816 169486786 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/nfs/dbraw/zinc/02/75/80/171027580.db2.gz FPWNJNJVLBJJSN-RTMURIBGSA-N 0 0 154.209 2.048 10 0 AEAERN CC/C=C/C[C@@H]1CCC(=O)O1 13480179 171027663 /nfs/dbraw/zinc/02/76/63/171027663.db2.gz FPWNJNJVLBJJSN-MPJRPATESA-N 0 0 154.209 2.048 10 0 AEAERN CCSC(=N)Nc1cccnc1 13762706 171028295 /nfs/dbraw/zinc/02/82/95/171028295.db2.gz SCOVSJJZHMKKNB-UHFFFAOYSA-N 0 0 181.264 2.181 10 0 AEAERN CC(C)c1cccc([C@@H](C)C(N)=O)c1 13646272 171028434 /nfs/dbraw/zinc/02/84/34/171028434.db2.gz XGVQJZDTGHZGSD-SECBINFHSA-N 0 0 191.274 2.399 10 0 AEAERN Fc1cc(F)c2c(Cl)n[nH]c2c1 14983965 171028912 /nfs/dbraw/zinc/02/89/12/171028912.db2.gz RFJGESCIRPPBBF-UHFFFAOYSA-N 0 0 188.564 2.495 10 0 AEAERN O=c1[nH]c2c(F)c(F)ccc2s1 14985112 171028927 /nfs/dbraw/zinc/02/89/27/171028927.db2.gz OPHMYORZPCQYGD-UHFFFAOYSA-N 0 0 187.170 2.280 10 0 AEAERN O=c1c2ccccc2[nH]c2occc12 15222604 171029022 /nfs/dbraw/zinc/02/90/22/171029022.db2.gz ZKMAOCSBHJPUGW-UHFFFAOYSA-N 0 0 185.182 2.274 10 0 AEAERN O=C(OC1CCCCC1)C(F)(F)F 15776083 171029462 /nfs/dbraw/zinc/02/94/62/171029462.db2.gz MJNDVDVTLSBDLB-UHFFFAOYSA-N 0 0 196.168 2.425 10 0 AEAERN CC/C=C/n1nnc2ccccc21 15781221 171029954 /nfs/dbraw/zinc/02/99/54/171029954.db2.gz AJUMXGCTCNAGHA-FPYGCLRLSA-N 0 0 173.219 2.312 10 0 AEAERN CC(C)OC(=O)CNc1ccccc1 37390609 171030685 /nfs/dbraw/zinc/03/06/85/171030685.db2.gz AXQSEDTYCGBRFG-UHFFFAOYSA-N 0 0 193.246 2.050 10 0 AEAERN CC(=O)C[C@H](C)OC(C)(C)C 17409041 171031756 /nfs/dbraw/zinc/03/17/56/171031756.db2.gz BORFWZXBKLQSJR-QMMMGPOBSA-N 0 0 158.241 2.169 10 0 AEAERN CC(=O)C[C@@H](C)OC(C)(C)C 17409043 171031792 /nfs/dbraw/zinc/03/17/92/171031792.db2.gz BORFWZXBKLQSJR-MRVPVSSYSA-N 0 0 158.241 2.169 10 0 AEAERN CC(C)(C)C(=O)C(F)(F)CF 17434257 171031889 /nfs/dbraw/zinc/03/18/89/171031889.db2.gz JYXNHCYESNZCHC-UHFFFAOYSA-N 0 0 168.158 2.206 10 0 AEAERN O[C@@H](C1=CCCCC1)C1CC1 17777574 171032865 /nfs/dbraw/zinc/03/28/65/171032865.db2.gz ZFIHGMFPHJYGIJ-JTQLQIEISA-N 0 0 152.237 2.258 10 0 AEAERN O[C@@H](C1CC1)[C@H]1CC=CCC1 17767581 171032929 /nfs/dbraw/zinc/03/29/29/171032929.db2.gz WWJKNESAZYZTHC-WCBMZHEXSA-N 0 0 152.237 2.114 10 0 AEAERN OC1C(=S)Nc2ccccc21 18208872 171032934 /nfs/dbraw/zinc/03/29/34/171032934.db2.gz UVBMRYAYQBYHCX-UHFFFAOYSA-N 0 0 165.217 2.162 10 0 AEAERN CC/C=C/[C@H](NC)C(F)(F)F 18692351 171032968 /nfs/dbraw/zinc/03/29/68/171032968.db2.gz CHTOIKMGUATVEH-OVCGOVNKSA-N 0 0 167.174 2.103 10 0 AEAERN O[C@@H](C1CC1)[C@@H]1CC=CCC1 17767587 171033057 /nfs/dbraw/zinc/03/30/57/171033057.db2.gz WWJKNESAZYZTHC-PSASIEDQSA-N 0 0 152.237 2.114 10 0 AEAERN CC/C=C/[C@@H](NC)C(F)(F)F 18692349 171033148 /nfs/dbraw/zinc/03/31/48/171033148.db2.gz CHTOIKMGUATVEH-BMMSZFGTSA-N 0 0 167.174 2.103 10 0 AEAERN NC(=S)Cc1ccc(Cl)s1 19411414 171034085 /nfs/dbraw/zinc/03/40/85/171034085.db2.gz HXNKHEQFSBQGJZ-UHFFFAOYSA-N 0 0 191.708 2.230 10 0 AEAERN Cc1ccccc1Cc1conc1N 19785800 171035699 /nfs/dbraw/zinc/03/56/99/171035699.db2.gz CPXWKPHZQWYALL-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN Cc1ccccc1Cc1cnoc1N 19785770 171035886 /nfs/dbraw/zinc/03/58/86/171035886.db2.gz LLLRTJOPTJGRAR-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN c1cncc(NC2CCCC2)c1 19884152 171036852 /nfs/dbraw/zinc/03/68/52/171036852.db2.gz JKFGKNPHWHJIRB-UHFFFAOYSA-N 0 0 162.236 2.436 10 0 AEAERN Cc1ccccc1NC[C@@H]1CCOC1 19965088 171037217 /nfs/dbraw/zinc/03/72/17/171037217.db2.gz AXBOHYHUJAOAGP-NSHDSACASA-N 0 0 191.274 2.443 10 0 AEAERN Cc1ccccc1NC[C@H]1CCOC1 19965089 171037313 /nfs/dbraw/zinc/03/73/13/171037313.db2.gz AXBOHYHUJAOAGP-LLVKDONJSA-N 0 0 191.274 2.443 10 0 AEAERN Oc1cccc(N[C@@H]2CCSC2)c1 20193153 171037750 /nfs/dbraw/zinc/03/77/50/171037750.db2.gz CCLYPIUYRAZRAZ-SECBINFHSA-N 0 0 195.287 2.310 10 0 AEAERN Oc1cccc(N[C@H]2CCSC2)c1 20193154 171038031 /nfs/dbraw/zinc/03/80/31/171038031.db2.gz CCLYPIUYRAZRAZ-VIFPVBQESA-N 0 0 195.287 2.310 10 0 AEAERN Oc1cccc2c1CCC=C2 20945261 171039987 /nfs/dbraw/zinc/03/99/87/171039987.db2.gz GUNUOUOMYPMVSK-UHFFFAOYSA-N 0 0 146.189 2.352 10 0 in-vitro AEAERN CCCC1N=NC(=S)N1C(C)(C)C 20588630 171040035 /nfs/dbraw/zinc/04/00/35/171040035.db2.gz SGLKEAWTWBRRSO-UHFFFAOYSA-N 0 0 199.323 2.274 10 0 AEAERN COc1ccc2c(=O)oc(C)cc2c1 22005030 171041037 /nfs/dbraw/zinc/04/10/37/171041037.db2.gz GFGUJYDCRVUEDK-UHFFFAOYSA-N 0 0 190.198 2.110 10 0 AEAERN S=C1N=NC(c2ccco2)S1 22200651 171041848 /nfs/dbraw/zinc/04/18/48/171041848.db2.gz LYYREIOKNBJBJL-UHFFFAOYSA-N 0 0 184.245 2.087 10 0 AEAERN c1cc(C2CCC2)ccn1 23894161 171042583 /nfs/dbraw/zinc/04/25/83/171042583.db2.gz RGWKLQLBNYFJHY-UHFFFAOYSA-N 0 0 133.194 2.349 10 0 AEAERN OC1(C2CC2)CCCCC1 23789525 171043307 /nfs/dbraw/zinc/04/33/07/171043307.db2.gz MCCIUEFOMLMUHJ-UHFFFAOYSA-N 0 0 140.226 2.092 10 0 AEAERN c1ccc(C2CCC2)nc1 23894176 171043319 /nfs/dbraw/zinc/04/33/19/171043319.db2.gz HCGLAUOYDLTCJV-UHFFFAOYSA-N 0 0 133.194 2.349 10 0 AEAERN C=Cc1c[nH]c2ncccc12 24730319 171043964 /nfs/dbraw/zinc/04/39/64/171043964.db2.gz BMKZRLNIIGUAIU-UHFFFAOYSA-N 0 0 144.177 2.206 10 0 AEAERN COc1ccccc1CC(=O)C1CC1 38126635 171044432 /nfs/dbraw/zinc/04/44/32/171044432.db2.gz HTXLVUUQDLFCTF-UHFFFAOYSA-N 0 0 190.242 2.217 10 0 AEAERN CN(C)c1nc2cc(Cl)ccc2[nH]1 26440454 171045327 /nfs/dbraw/zinc/04/53/27/171045327.db2.gz MNDBADLOZDSOQF-UHFFFAOYSA-N 0 0 195.653 2.282 10 0 AEAERN [O-][n+]1cccc(Oc2ccccc2)c1 27097197 171045657 /nfs/dbraw/zinc/04/56/57/171045657.db2.gz CQCJWARBGJHIHV-UHFFFAOYSA-N 0 0 187.198 2.112 10 0 AEAERN O=c1c(O)ccccc1-c1ccccc1 39039341 171046127 /nfs/dbraw/zinc/04/61/27/171046127.db2.gz MUSVYQMQNAIUDU-UHFFFAOYSA-N 0 0 198.221 2.419 10 0 AEAERN CC(C)CC(=O)Cc1ccncc1 39267896 171046490 /nfs/dbraw/zinc/04/64/90/171046490.db2.gz MZJYKQKNTVSUDS-UHFFFAOYSA-N 0 0 177.247 2.239 10 0 AEAERN Oc1c(F)cc(F)c2cccnc12 27523122 171046881 /nfs/dbraw/zinc/04/68/81/171046881.db2.gz AEPLVAHGESFRJT-UHFFFAOYSA-N 0 0 181.141 2.219 10 0 AEAERN Oc1ccc(CC2CC2)cc1 27747421 171047122 /nfs/dbraw/zinc/04/71/22/171047122.db2.gz KFGUDPHRGURVRF-UHFFFAOYSA-N 0 0 148.205 2.345 10 0 AEAERN O=C1c2sccc2-n2cccc21 29231857 171047529 /nfs/dbraw/zinc/04/75/29/171047529.db2.gz KMEIZAJBOLMJKI-UHFFFAOYSA-N 0 0 175.212 2.083 10 0 AEAERN OC/C=C/c1ccc2ccccc2n1 28002643 171047717 /nfs/dbraw/zinc/04/77/17/171047717.db2.gz HZSMCZGYICFQLI-HWKANZROSA-N 0 0 185.226 2.240 10 0 AEAERN Oc1cccc(Nn2cccc2)c1 28759034 171047945 /nfs/dbraw/zinc/04/79/45/171047945.db2.gz RHDPXJYWOWFLJU-UHFFFAOYSA-N 0 0 174.203 2.069 10 0 AEAERN CC1(C)COC(=S)C1(C)C 29570272 171048386 /nfs/dbraw/zinc/04/83/86/171048386.db2.gz WZPCGIAMFDDBNP-UHFFFAOYSA-N 0 0 158.266 2.396 10 0 AEAERN [NH3+]CC(=C(F)F)c1ccccc1 29562705 171048737 /nfs/dbraw/zinc/04/87/37/171048737.db2.gz GYRCEZKIOPQVCY-UHFFFAOYSA-N 0 0 169.174 2.253 10 0 AEAERN c1cc(C2CCCCC2)n[nH]1 31776864 171049204 /nfs/dbraw/zinc/04/92/04/171049204.db2.gz RISQWZNRZAZRPJ-UHFFFAOYSA-N 0 0 150.225 2.457 10 0 in-vitro AEAERN CN(C)c1nc2cc(O)ccc2s1 32107241 171049323 /nfs/dbraw/zinc/04/93/23/171049323.db2.gz NHWBNVFUKKTRFM-UHFFFAOYSA-N 0 0 194.259 2.068 10 0 AEAERN Cc1ccccc1NCC(C)(C)O 32007359 171049374 /nfs/dbraw/zinc/04/93/74/171049374.db2.gz HUQNPYGZQVWCNB-UHFFFAOYSA-N 0 0 179.263 2.178 10 0 AEAERN Cc1ccccc1C(C)(C)CO 32006295 171049437 /nfs/dbraw/zinc/04/94/37/171049437.db2.gz YKVOYGASZWQWER-UHFFFAOYSA-N 0 0 164.248 2.265 10 0 AEAERN Nc1ccc(F)c(N2CCCC2)c1 32007438 171049439 /nfs/dbraw/zinc/04/94/39/171049439.db2.gz RDEZLXCDYGYRBQ-UHFFFAOYSA-N 0 0 180.226 2.008 10 0 AEAERN Cc1ccccc1C[C@H](O)C1CC1 32006924 171049532 /nfs/dbraw/zinc/04/95/32/171049532.db2.gz IHIFGKUMDLHRMG-LBPRGKRZSA-N 0 0 176.259 2.308 10 0 AEAERN COc1ccccc1[C@@H](O)C1CC1 32007109 171049597 /nfs/dbraw/zinc/04/95/97/171049597.db2.gz OOINFLCGCGHFCK-NSHDSACASA-N 0 0 178.231 2.139 10 0 AEAERN CC(=O)CCC(=O)c1ccccc1F 32008865 171049638 /nfs/dbraw/zinc/04/96/38/171049638.db2.gz CMAJDHODPXOKCD-UHFFFAOYSA-N 0 0 194.205 2.378 10 0 AEAERN Cc1ccccc1C[C@@H](O)C1CC1 32006923 171049739 /nfs/dbraw/zinc/04/97/39/171049739.db2.gz IHIFGKUMDLHRMG-GFCCVEGCSA-N 0 0 176.259 2.308 10 0 AEAERN C[C@@H]1CC=C([C@H](C)CO)CC1 32147903 171050001 /nfs/dbraw/zinc/05/00/01/171050001.db2.gz KFUIAXXMGXAVHN-RKDXNWHRSA-N 0 0 154.253 2.361 10 0 AEAERN C[C@@H]1CC=C([C@@H](C)CO)CC1 32147894 171050072 /nfs/dbraw/zinc/05/00/72/171050072.db2.gz KFUIAXXMGXAVHN-BDAKNGLRSA-N 0 0 154.253 2.361 10 0 AEAERN CC(=O)C[C@@H](C)c1ccco1 32302474 171050257 /nfs/dbraw/zinc/05/02/57/171050257.db2.gz VDJGKHHLJHTPLO-SSDOTTSWSA-N 0 0 152.193 2.362 10 0 AEAERN OC1(Cc2ccccc2)CCC1 32239687 171050520 /nfs/dbraw/zinc/05/05/20/171050520.db2.gz QWBPLEKQBIXWEO-UHFFFAOYSA-N 0 0 162.232 2.144 10 0 AEAERN CCOC(=O)C1[C@@H]2CCCCC[C@@H]12 147253504 344043881 /nfs/dbraw/zinc/04/38/81/344043881.db2.gz ZNZZZZLKGXXUAL-RKDXNWHRSA-N 0 0 182.263 2.376 10 0 AEAERN c1ccc(CC[C@H]2CCCO2)nc1 33607913 171051218 /nfs/dbraw/zinc/05/12/18/171051218.db2.gz ULTYOAAXRRZFKW-LLVKDONJSA-N 0 0 177.247 2.193 10 0 AEAERN CC(=O)OCC[C@@H]1CC=CCC1 33506435 171051595 /nfs/dbraw/zinc/05/15/95/171051595.db2.gz HEYMGGRGEJTPBD-SNVBAGLBSA-N 0 0 168.236 2.296 10 0 AEAERN CC(/C=C/C(N)=O)=C\c1ccccc1 33432801 171051657 /nfs/dbraw/zinc/05/16/57/171051657.db2.gz YTHBMMSBMWABCD-XBLVEGMJSA-N 0 0 187.242 2.131 10 0 AEAERN c1ccc(CC[C@@H]2CCCO2)nc1 33607915 171051752 /nfs/dbraw/zinc/05/17/52/171051752.db2.gz ULTYOAAXRRZFKW-NSHDSACASA-N 0 0 177.247 2.193 10 0 AEAERN CC(=O)OCC[C@H]1CC=CCC1 33506434 171051759 /nfs/dbraw/zinc/05/17/59/171051759.db2.gz HEYMGGRGEJTPBD-JTQLQIEISA-N 0 0 168.236 2.296 10 0 AEAERN COc1ccccc1NC1CC1 33947412 171052187 /nfs/dbraw/zinc/05/21/87/171052187.db2.gz AJDAJYVDCSBIQP-UHFFFAOYSA-N 0 0 163.220 2.270 10 0 AEAERN CCC/C=C/[C@@H]1OC[C@H](C)O1 33844134 171052237 /nfs/dbraw/zinc/05/22/37/171052237.db2.gz WMWBRDXHCMVBJG-VFPASMGPSA-N 0 0 156.225 2.104 10 0 AEAERN CCCc1ncc(C)s1 33951069 171052275 /nfs/dbraw/zinc/05/22/75/171052275.db2.gz WRHYOYIOVMOZCU-UHFFFAOYSA-N 0 0 141.239 2.404 10 0 AEAERN CCC/C=C/[C@H]1OC[C@H](C)O1 33844135 171052333 /nfs/dbraw/zinc/05/23/33/171052333.db2.gz WMWBRDXHCMVBJG-MUNZNRDXSA-N 0 0 156.225 2.104 10 0 AEAERN CCC/C=C/[C@H]1OC[C@@H](C)O1 33844137 171052340 /nfs/dbraw/zinc/05/23/40/171052340.db2.gz WMWBRDXHCMVBJG-RKWMXMRGSA-N 0 0 156.225 2.104 10 0 AEAERN Oc1c[nH]c2cc(F)ccc12 34049625 171052406 /nfs/dbraw/zinc/05/24/06/171052406.db2.gz KCEULYGJGPWIDK-UHFFFAOYSA-N 0 0 151.140 2.013 10 0 AEAERN Cc1ccccc1Cc1c[nH]cn1 33876213 171052464 /nfs/dbraw/zinc/05/24/64/171052464.db2.gz ZNZBCEFJSNGEIV-UHFFFAOYSA-N 0 0 172.231 2.309 10 0 AEAERN CCC/C=C/[C@@H]1OC[C@@H](C)O1 33844136 171052546 /nfs/dbraw/zinc/05/25/46/171052546.db2.gz WMWBRDXHCMVBJG-JKKBLNIGSA-N 0 0 156.225 2.104 10 0 AEAERN CCc1[nH]c(=O)c(Cl)cc1Cl 34154009 171052962 /nfs/dbraw/zinc/05/29/62/171052962.db2.gz MVELPARKKWCMOK-UHFFFAOYSA-N 0 0 192.045 2.244 10 0 AEAERN CC(C)c1ccnc(F)c1 34143953 171053015 /nfs/dbraw/zinc/05/30/15/171053015.db2.gz CAKKVWZDVRLVKH-UHFFFAOYSA-N 0 0 139.173 2.344 10 0 AEAERN COc1ccccc1N1CCCC1 34077966 171053045 /nfs/dbraw/zinc/05/30/45/171053045.db2.gz CXJDHKPUONWJBP-UHFFFAOYSA-N 0 0 177.247 2.295 10 0 AEAERN C=CSc1ccncc1 34129296 171053077 /nfs/dbraw/zinc/05/30/77/171053077.db2.gz RRALWYIWHVDYMH-UHFFFAOYSA-N 0 0 137.207 2.317 10 0 AEAERN COC(=N)C1CCCCC1 34091382 171053084 /nfs/dbraw/zinc/05/30/84/171053084.db2.gz LISVYUBFCHWPDZ-UHFFFAOYSA-N 0 0 141.214 2.190 10 0 AEAERN O=c1occcc1Cc1ccccc1 34119935 171053125 /nfs/dbraw/zinc/05/31/25/171053125.db2.gz RFODNBHSEOXOGS-UHFFFAOYSA-N 0 0 186.210 2.231 10 0 AEAERN O=c1occcc1-c1ccccc1 34108115 171053188 /nfs/dbraw/zinc/05/31/88/171053188.db2.gz YYCQUUTYXPMBLY-UHFFFAOYSA-N 0 0 172.183 2.307 10 0 AEAERN C=Cc1cc(O)ccc1C 34216432 171053530 /nfs/dbraw/zinc/05/35/30/171053530.db2.gz FMOVLQRQDJBTCF-UHFFFAOYSA-N 0 0 134.178 2.344 10 0 AEAERN C[C@@H]1OC(=O)c2c(O)cccc2[C@@H]1C 34250643 171053565 /nfs/dbraw/zinc/05/35/65/171053565.db2.gz GYPICPNVPOORGI-RQJHMYQMSA-N 0 0 192.214 2.055 10 0 AEAERN Oc1ccc(C2=CC[C@@H](O)CC2)cc1 34283351 171053671 /nfs/dbraw/zinc/05/36/71/171053671.db2.gz KWDYGAHMKPXBRY-GFCCVEGCSA-N 0 0 190.242 2.320 10 0 AEAERN C[C@H]1OC(=O)c2c(O)cccc2[C@H]1C 34250639 171053739 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/nfs/dbraw/zinc/08/07/67/171080767.db2.gz XVUUKUIAANLURV-UHFFFAOYSA-N 0 0 187.308 2.012 10 0 AEAERN Nc1n[nH]cc1Sc1cccs1 40999506 171081393 /nfs/dbraw/zinc/08/13/93/171081393.db2.gz ABWURVLBYKNZCM-UHFFFAOYSA-N 0 0 197.288 2.205 10 0 AEAERN CC1(C)OC(=O)Nc2ccc(O)cc21 39091156 171081456 /nfs/dbraw/zinc/08/14/56/171081456.db2.gz INTWCHTWRLYWRB-UHFFFAOYSA-N 0 0 193.202 2.189 10 0 AEAERN Oc1ccc(CCn2cccc2)cc1 40736832 171081528 /nfs/dbraw/zinc/08/15/28/171081528.db2.gz TZWSWLHYQIAJAJ-UHFFFAOYSA-N 0 0 187.242 2.436 10 0 AEAERN Nc1n[nH]cc1SC1CCCCC1 40999527 171081684 /nfs/dbraw/zinc/08/16/84/171081684.db2.gz QWAAGDCCDPHIMZ-UHFFFAOYSA-N 0 0 197.307 2.417 10 0 AEAERN O=c1ssnc1-c1ccccc1 40836569 171081793 /nfs/dbraw/zinc/08/17/93/171081793.db2.gz UYENMYNBYCPCMM-UHFFFAOYSA-N 0 0 195.268 2.232 10 0 AEAERN CC1(C)CO[C@H]1c1ccco1 39090923 171081873 /nfs/dbraw/zinc/08/18/73/171081873.db2.gz KZOKHKCJXWQPKI-QMMMGPOBSA-N 0 0 152.193 2.377 10 0 AEAERN Nc1n[nH]cc1Sc1ccccc1 40999467 171081942 /nfs/dbraw/zinc/08/19/42/171081942.db2.gz LMGISRLJBWMBPB-UHFFFAOYSA-N 0 0 191.259 2.143 10 0 AEAERN CC(C)c1ccccc1N(C)N 41167874 171082385 /nfs/dbraw/zinc/08/23/85/171082385.db2.gz GGRURLBHBVUSOW-UHFFFAOYSA-N 0 0 164.252 2.120 10 0 AEAERN Cc1ccccc1[C@@H](C)CCO 41167863 171082579 /nfs/dbraw/zinc/08/25/79/171082579.db2.gz WIYWWUPWRCXMTJ-JTQLQIEISA-N 0 0 164.248 2.481 10 0 AEAERN Cc1ccccc1[C@H](C)CCO 41167865 171082601 /nfs/dbraw/zinc/08/26/01/171082601.db2.gz WIYWWUPWRCXMTJ-SNVBAGLBSA-N 0 0 164.248 2.481 10 0 AEAERN Cc1ccccc1N[C@@H](CO)C1CC1 41047681 171082632 /nfs/dbraw/zinc/08/26/32/171082632.db2.gz LSTNLEXQHINOQL-LBPRGKRZSA-N 0 0 191.274 2.178 10 0 AEAERN c1csc(C2([NH2+]C3CC3)CCC2)n1 41061793 171082635 /nfs/dbraw/zinc/08/26/35/171082635.db2.gz SXHMGWCUEKWFRD-UHFFFAOYSA-N 0 0 194.303 2.274 10 0 AEAERN Cc1ccccc1N[C@H](CO)C1CC1 41047682 171082661 /nfs/dbraw/zinc/08/26/61/171082661.db2.gz LSTNLEXQHINOQL-GFCCVEGCSA-N 0 0 191.274 2.178 10 0 AEAERN BrC1=COC=CC1 39088885 171082666 /nfs/dbraw/zinc/08/26/66/171082666.db2.gz ZDMQRHWCZBUBEF-UHFFFAOYSA-N 0 0 160.998 2.157 10 0 AEAERN Cc1ccccc1N[C@H](CO)C(C)C 41049628 171082718 /nfs/dbraw/zinc/08/27/18/171082718.db2.gz JDQCPIJIYIHFEG-GFCCVEGCSA-N 0 0 193.290 2.424 10 0 AEAERN Cc1ccccc1N[C@@H](CO)C(C)C 41049627 171082782 /nfs/dbraw/zinc/08/27/82/171082782.db2.gz JDQCPIJIYIHFEG-LBPRGKRZSA-N 0 0 193.290 2.424 10 0 AEAERN Cc1ccccc1OC(C)(C)CO 41201308 171082968 /nfs/dbraw/zinc/08/29/68/171082968.db2.gz MOBPXNVFGMLGAF-UHFFFAOYSA-N 0 0 180.247 2.145 10 0 AEAERN Cc1ccccc1Cc1cc(N)on1 41204130 171083002 /nfs/dbraw/zinc/08/30/02/171083002.db2.gz YNGNKWAPIURSMO-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN NNc1ccc(OC2CCCC2)cc1 41205997 171083122 /nfs/dbraw/zinc/08/31/22/171083122.db2.gz QDDQECOKWLDFHE-UHFFFAOYSA-N 0 0 192.262 2.294 10 0 AEAERN Cc1ccccc1[C@@H]1CN(C)C(=O)O1 41205167 171083255 /nfs/dbraw/zinc/08/32/55/171083255.db2.gz IKWVLHMRAFMZMH-JTQLQIEISA-N 0 0 191.230 2.118 10 0 AEAERN NC(=S)CCc1ccccc1F 41202356 171083497 /nfs/dbraw/zinc/08/34/97/171083497.db2.gz NFOOFHUFUBHJRY-UHFFFAOYSA-N 0 0 183.251 2.044 10 0 AEAERN OC1(C2SCCS2)CCCC1 39112089 171083694 /nfs/dbraw/zinc/08/36/94/171083694.db2.gz SPIRUMWGJCMOFX-UHFFFAOYSA-N 0 0 190.333 2.098 10 0 AEAERN Cc1ccccc1O[C@@H](C)C(N)=S 41207153 171083728 /nfs/dbraw/zinc/08/37/28/171083728.db2.gz SFKAJZWABFZFOC-QMMMGPOBSA-N 0 0 195.287 2.048 10 0 AEAERN O=c1c(Cl)c[nH]c2c(F)cccc12 41702013 171083740 /nfs/dbraw/zinc/08/37/40/171083740.db2.gz DFYAIHKUGVMFCX-UHFFFAOYSA-N 0 0 197.596 2.321 10 0 AEAERN Cc1ccccc1[C@@H]1CCOCO1 39120301 171083757 /nfs/dbraw/zinc/08/37/57/171083757.db2.gz MYZQKCSMWOUDJG-NSHDSACASA-N 0 0 178.231 2.431 10 0 AEAERN O=c1[nH]occ1-c1ccccc1 39115010 171083786 /nfs/dbraw/zinc/08/37/86/171083786.db2.gz VDQCQTULYAZNNT-UHFFFAOYSA-N 0 0 161.160 2.047 10 0 AEAERN On1ccc2ccc(F)cc21 39095519 171083870 /nfs/dbraw/zinc/08/38/70/171083870.db2.gz JRPPVXNUDHTGDB-UHFFFAOYSA-N 0 0 151.140 2.018 10 0 AEAERN On1ccc2cc(F)ccc21 39095520 171083876 /nfs/dbraw/zinc/08/38/76/171083876.db2.gz ZIIMOKUHFYBIRY-UHFFFAOYSA-N 0 0 151.140 2.018 10 0 AEAERN Cc1ccccc1NCCC(N)=S 41206879 171083960 /nfs/dbraw/zinc/08/39/60/171083960.db2.gz YPTJOVWTACDKSF-UHFFFAOYSA-N 0 0 194.303 2.083 10 0 AEAERN Cc1ccc2[nH]cc(Cl)c(=O)c2c1 41701939 171084028 /nfs/dbraw/zinc/08/40/28/171084028.db2.gz XZVDEQADVSMUEH-UHFFFAOYSA-N 0 0 193.633 2.490 10 0 AEAERN O=c1c(Cl)c[nH]c2ccc(F)cc12 41701997 171084073 /nfs/dbraw/zinc/08/40/73/171084073.db2.gz YLHCFKGEXKJUDO-UHFFFAOYSA-N 0 0 197.596 2.321 10 0 AEAERN CCCc1nnc(NC(C)C)s1 41651054 171084140 /nfs/dbraw/zinc/08/41/40/171084140.db2.gz FDOZMPCZBSMHOX-UHFFFAOYSA-N 0 0 185.296 2.311 10 0 AEAERN ClC(Cl)=Cc1ccon1 39113154 171084143 /nfs/dbraw/zinc/08/41/43/171084143.db2.gz HVEDZFZKKNKCSM-UHFFFAOYSA-N 0 0 163.991 2.451 10 0 AEAERN C[C@@H]1OC2(CC[C@@H](C)C2)O[C@H]1C 39111851 171084149 /nfs/dbraw/zinc/08/41/49/171084149.db2.gz AMXAFJMINFJAQS-VGMNWLOBSA-N 0 0 170.252 2.327 10 0 AEAERN O=c1c(Cl)c[nH]c2cc(F)ccc12 41702005 171084171 /nfs/dbraw/zinc/08/41/71/171084171.db2.gz WNRGXZJSXHRGRY-UHFFFAOYSA-N 0 0 197.596 2.321 10 0 AEAERN CC(C)O[P@](C)(=O)c1ccncc1 39117379 171084236 /nfs/dbraw/zinc/08/42/36/171084236.db2.gz WDUBIXWLGKBOIP-ZDUSSCGKSA-N 0 0 199.190 2.040 10 0 AEAERN Cc1ccccc1O[C@H](C)C(N)=S 41207154 171084238 /nfs/dbraw/zinc/08/42/38/171084238.db2.gz SFKAJZWABFZFOC-MRVPVSSYSA-N 0 0 195.287 2.048 10 0 AEAERN CC(C)O[P@@](C)(=O)c1ccncc1 39117381 171084284 /nfs/dbraw/zinc/08/42/84/171084284.db2.gz WDUBIXWLGKBOIP-CYBMUJFWSA-N 0 0 199.190 2.040 10 0 AEAERN FC(Cl)(Cl)c1ccno1 39113358 171084286 /nfs/dbraw/zinc/08/42/86/171084286.db2.gz CPEUKVPGMRFBRX-UHFFFAOYSA-N 0 0 169.970 2.232 10 0 AEAERN [O-][n+]1c(Cl)ccc2ccccc21 39189919 171084626 /nfs/dbraw/zinc/08/46/26/171084626.db2.gz SSVVALKTXQOZNA-UHFFFAOYSA-N 0 0 179.606 2.127 10 0 AEAERN Oc1ccc(Cl)cc1-n1ccnc1 39239592 171084748 /nfs/dbraw/zinc/08/47/48/171084748.db2.gz RYUORQLHTYZCJV-UHFFFAOYSA-N 0 0 194.621 2.231 10 0 AEAERN O=C1CCSc2ccccc2C1 39215751 171084790 /nfs/dbraw/zinc/08/47/90/171084790.db2.gz RMKIJTZGUNUYHT-UHFFFAOYSA-N 0 0 178.256 2.294 10 0 AEAERN CC(C)c1cnc(C(C)C)c(=O)[nH]1 39114270 171084935 /nfs/dbraw/zinc/08/49/35/171084935.db2.gz XQELNPFTJBJNDQ-UHFFFAOYSA-N 0 0 180.251 2.017 10 0 AEAERN CCCCc1cc(C)cc(=O)o1 39194574 171085020 /nfs/dbraw/zinc/08/50/20/171085020.db2.gz JRVRVGPJKXJKLR-UHFFFAOYSA-N 0 0 166.220 2.291 10 0 AEAERN On1c(=S)cnc2ccccc21 39114146 171085205 /nfs/dbraw/zinc/08/52/05/171085205.db2.gz DOVBXTPVKIPZNT-UHFFFAOYSA-N 0 0 178.216 2.003 10 0 AEAERN Nc1ccc(F)cc1-c1ncco1 42413548 171085521 /nfs/dbraw/zinc/08/55/21/171085521.db2.gz ODSHUDFXUMOYQQ-UHFFFAOYSA-N 0 0 178.166 2.063 10 0 AEAERN O[C@@H](CC(F)(F)F)c1cccnc1 42413161 171085537 /nfs/dbraw/zinc/08/55/37/171085537.db2.gz RXOWULOWNLBJOL-ZETCQYMHSA-N 0 0 191.152 2.067 10 0 AEAERN O[C@@H](CC(F)(F)F)C1CCCC1 42413173 171085563 /nfs/dbraw/zinc/08/55/63/171085563.db2.gz AVLPENKCUIPZIJ-ZETCQYMHSA-N 0 0 182.185 2.490 10 0 AEAERN CC(=O)C[C@@H]1OCCc2ccccc21 39284091 171086412 /nfs/dbraw/zinc/08/64/12/171086412.db2.gz VZHBSYGSBXVCBK-LBPRGKRZSA-N 0 0 190.242 2.280 10 0 AEAERN O=[N+]([O-])/C=C/c1cc(F)ccc1F 42905395 171086585 /nfs/dbraw/zinc/08/65/85/171086585.db2.gz UPPHSZUDFGDRQA-ONEGZZNKSA-N 0 0 185.129 2.212 10 0 AEAERN Fc1cc(-c2ncc[nH]2)cc(F)c1F 43392616 171087682 /nfs/dbraw/zinc/08/76/82/171087682.db2.gz JOALQDUIJJXJGG-UHFFFAOYSA-N 0 0 198.147 2.494 10 0 AEAERN CCCCCCC(=O)C(=O)OCC 43504504 171088319 /nfs/dbraw/zinc/08/83/19/171088319.db2.gz FQKVLKIRSWZHFS-UHFFFAOYSA-N 0 0 186.251 2.089 10 0 AEAERN O=c1cc(-c2cccs2)cc[nH]1 44118905 171088700 /nfs/dbraw/zinc/08/87/00/171088700.db2.gz WANKDEXLQUXYSY-UHFFFAOYSA-N 0 0 177.228 2.103 10 0 AEAERN C/C=C/CC[C@@H](O)C(C)C 43657891 171088867 /nfs/dbraw/zinc/08/88/67/171088867.db2.gz BYRPSDZMXICJEX-XNPJLODASA-N 0 0 142.242 2.360 10 0 AEAERN Oc1ccc(C2CCC2)nc1 44121425 171089058 /nfs/dbraw/zinc/08/90/58/171089058.db2.gz YLBOTMJUBQELMK-UHFFFAOYSA-N 0 0 149.193 2.055 10 0 AEAERN C[C@H]1C[NH+]=Cc2ccccc21 39407150 171089073 /nfs/dbraw/zinc/08/90/73/171089073.db2.gz WYKKMLDQCFENNJ-QMMMGPOBSA-N 0 0 145.205 2.223 10 0 AEAERN CC(C)c1cccc2[nH]c(=O)oc12 39423289 171089165 /nfs/dbraw/zinc/08/91/65/171089165.db2.gz HWXUONVDCCADCG-UHFFFAOYSA-N 0 0 177.203 2.245 10 0 AEAERN O=c1cc(-c2cccc(F)c2)cc[nH]1 44118581 171089177 /nfs/dbraw/zinc/08/91/77/171089177.db2.gz VMWOYQVWDXWNJY-UHFFFAOYSA-N 0 0 189.189 2.181 10 0 AEAERN O=c1cc(-c2ccsc2)cc[nH]1 44120407 171089189 /nfs/dbraw/zinc/08/91/89/171089189.db2.gz KMEDPBPGMCKYHX-UHFFFAOYSA-N 0 0 177.228 2.103 10 0 AEAERN C/C=C/CC[C@H](O)C(C)C 43657890 171089207 /nfs/dbraw/zinc/08/92/07/171089207.db2.gz BYRPSDZMXICJEX-MOVJSRMASA-N 0 0 142.242 2.360 10 0 AEAERN O=c1cc(-c2ccccc2F)cc[nH]1 44118568 171089209 /nfs/dbraw/zinc/08/92/09/171089209.db2.gz HEQVEAYAGCZCRP-UHFFFAOYSA-N 0 0 189.189 2.181 10 0 AEAERN Oc1ccc(C2CCCC2)nc1 44121438 171089264 /nfs/dbraw/zinc/08/92/64/171089264.db2.gz BCZQCSAUDBXEIY-UHFFFAOYSA-N 0 0 163.220 2.445 10 0 AEAERN CC(C)c1ccccc1/C=C/C(N)=O 44261391 171089582 /nfs/dbraw/zinc/08/95/82/171089582.db2.gz NSIWRQVJNNDTOU-BQYQJAHWSA-N 0 0 189.258 2.309 10 0 AEAERN c1cc(C2OCCO2)c2[nH]ccc2c1 44229175 171089600 /nfs/dbraw/zinc/08/96/00/171089600.db2.gz JFBRZOSHVDHKQO-UHFFFAOYSA-N 0 0 189.214 2.213 10 0 AEAERN c1cc(C2OCCO2)c2cc[nH]c2c1 44230955 171089713 /nfs/dbraw/zinc/08/97/13/171089713.db2.gz BEKNPSHYGSUZPX-UHFFFAOYSA-N 0 0 189.214 2.213 10 0 AEAERN Cc1ccccc1O[C@@H](C)[C@H](C)O 44212036 171089756 /nfs/dbraw/zinc/08/97/56/171089756.db2.gz QSRDCLTXHKEXBN-UWVGGRQHSA-N 0 0 180.247 2.143 10 0 AEAERN Cc1ccccc1O[C@H](C)[C@@H](C)O 44212033 171089776 /nfs/dbraw/zinc/08/97/76/171089776.db2.gz QSRDCLTXHKEXBN-NXEZZACHSA-N 0 0 180.247 2.143 10 0 AEAERN CO[C@@H](C(C)C)[C@H](O)c1ccccc1 44192971 171089859 /nfs/dbraw/zinc/08/98/59/171089859.db2.gz NZHVRNIAQLBZAY-NEPJUHHUSA-N 0 0 194.274 2.391 10 0 AEAERN Cc1ccccc1O[C@@H](C)[C@@H](C)O 44212031 171089931 /nfs/dbraw/zinc/08/99/31/171089931.db2.gz QSRDCLTXHKEXBN-ZJUUUORDSA-N 0 0 180.247 2.143 10 0 AEAERN Cc1ccccc1O[C@H](C)[C@H](C)O 44212038 171090010 /nfs/dbraw/zinc/09/00/10/171090010.db2.gz QSRDCLTXHKEXBN-VHSXEESVSA-N 0 0 180.247 2.143 10 0 AEAERN CC1(C)COC(C=C(N)C(C)(C)C)=N1 206910775 171090028 /nfs/dbraw/zinc/09/00/28/171090028.db2.gz SPMUFFXLUZXUCE-VURMDHGXSA-N 0 0 196.294 2.082 10 0 AEAERN OCCCc1cc(F)cc(Cl)c1 44396013 171090305 /nfs/dbraw/zinc/09/03/05/171090305.db2.gz DDTFRCHOFRVRDD-UHFFFAOYSA-N 0 0 188.629 2.404 10 0 AEAERN OCCCc1cc(Cl)cs1 44396172 171090349 /nfs/dbraw/zinc/09/03/49/171090349.db2.gz UQQMCKLIRFRWTJ-UHFFFAOYSA-N 0 0 176.668 2.326 10 0 AEAERN Oc1ccc(NC2CCC2)cc1 44481614 171090357 /nfs/dbraw/zinc/09/03/57/171090357.db2.gz HXMUPIFJOIZJCF-UHFFFAOYSA-N 0 0 163.220 2.357 10 0 AEAERN COc1ccccc1NC(=N)SC 44676046 171091766 /nfs/dbraw/zinc/09/17/66/171091766.db2.gz QEXVATVUQMYBHF-UHFFFAOYSA-N 0 0 196.275 2.405 10 0 AEAERN CN(C)c1nc2cccc(O)c2s1 45236746 171092091 /nfs/dbraw/zinc/09/20/91/171092091.db2.gz QFCKPJPWJSBZMZ-UHFFFAOYSA-N 0 0 194.259 2.068 10 0 AEAERN Oc1ccc(O)c(Cc2ccco2)c1 45339947 171092218 /nfs/dbraw/zinc/09/22/18/171092218.db2.gz XILYZMFMZQXKMC-UHFFFAOYSA-N 0 0 190.198 2.282 10 0 AEAERN c1cnc2cc3scnc3cc2n1 45238225 171092333 /nfs/dbraw/zinc/09/23/33/171092333.db2.gz HVYPZZFEMFWDDJ-UHFFFAOYSA-N 0 0 187.227 2.240 10 0 AEAERN c1cnc2c(ccc3ncsc32)n1 45238238 171092497 /nfs/dbraw/zinc/09/24/97/171092497.db2.gz QIVQMDJWGDQHBK-UHFFFAOYSA-N 0 0 187.227 2.240 10 0 AEAERN c1cnc2c(ccc3scnc32)n1 45238241 171092505 /nfs/dbraw/zinc/09/25/05/171092505.db2.gz DHIZMHDJSSQIJP-UHFFFAOYSA-N 0 0 187.227 2.240 10 0 AEAERN Brn1cnc2ccccc21 45238481 171092610 /nfs/dbraw/zinc/09/26/10/171092610.db2.gz FWZFVOARLMRVSR-UHFFFAOYSA-N 0 0 197.035 2.194 10 0 AEAERN OC1(c2ccccc2)CCSCC1 39647702 171093049 /nfs/dbraw/zinc/09/30/49/171093049.db2.gz VSRWPWSNMNQXGT-UHFFFAOYSA-N 0 0 194.299 2.401 10 0 AEAERN O=c1c(F)c[nH]cc1-c1ccccc1 47207613 171093057 /nfs/dbraw/zinc/09/30/57/171093057.db2.gz DVRVAKBYXOBQJE-UHFFFAOYSA-N 0 0 189.189 2.181 10 0 AEAERN Fc1cc(Cl)cnc1OC(F)F 47203172 171093059 /nfs/dbraw/zinc/09/30/59/171093059.db2.gz ZGDAFSGNSWVTCI-UHFFFAOYSA-N 0 0 197.543 2.476 10 0 AEAERN Fc1cc(-c2cccnc2)cnc1F 47212780 171093100 /nfs/dbraw/zinc/09/31/00/171093100.db2.gz AIHSDBDMRCKRAE-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN Oc1ccc(F)c(C(F)F)c1 47203412 171093102 /nfs/dbraw/zinc/09/31/02/171093102.db2.gz ZQFHGKWIKQXAQR-UHFFFAOYSA-N 0 0 162.110 2.469 10 0 AEAERN C=CSc1ccc[nH]1 45803003 171093118 /nfs/dbraw/zinc/09/31/18/171093118.db2.gz WCXODKIRAHVPPG-UHFFFAOYSA-N 0 0 125.196 2.250 10 0 AEAERN c1cnc2cc3[nH]ccc3cc2n1 45823589 171093157 /nfs/dbraw/zinc/09/31/57/171093157.db2.gz IHQUXSLXACQYHM-UHFFFAOYSA-N 0 0 169.187 2.111 10 0 AEAERN c1cnc2c(ccc3cc[nH]c32)n1 45823570 171093234 /nfs/dbraw/zinc/09/32/34/171093234.db2.gz QKEBGAUJUHZNNU-UHFFFAOYSA-N 0 0 169.187 2.111 10 0 AEAERN Fc1cc(-c2ccncc2)cnc1F 47212782 171093302 /nfs/dbraw/zinc/09/33/02/171093302.db2.gz IUQUALKOXYNOQB-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN Cc1ccnc(N)c1-c1cccnc1 47212375 171093315 /nfs/dbraw/zinc/09/33/15/171093315.db2.gz IBHVIXAOXZMRRW-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1ccnc(C)c1OC(F)F 47203316 171093319 /nfs/dbraw/zinc/09/33/19/171093319.db2.gz WGMLIMGRZKJRRV-UHFFFAOYSA-N 0 0 173.162 2.300 10 0 AEAERN Cc1ccccc1[C@@H]1CCC(=O)O1 39648488 171093531 /nfs/dbraw/zinc/09/35/31/171093531.db2.gz FUQSAFHTKUQGRQ-JTQLQIEISA-N 0 0 176.215 2.373 10 0 AEAERN Cc1ccnc(N)c1-c1ccncc1 47212377 171093566 /nfs/dbraw/zinc/09/35/66/171093566.db2.gz LGWDEMYURPZAGL-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Nc1ccc(F)c(-c2cccnc2)c1 47212805 171093575 /nfs/dbraw/zinc/09/35/75/171093575.db2.gz RTBGBGREMLPTRD-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Fc1cc(-c2ccncc2)ccn1 47213724 171093888 /nfs/dbraw/zinc/09/38/88/171093888.db2.gz MKFPRHAKYBHQEB-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN CCCCc1c(C)[nH]ccc1=O 207583247 171094170 /nfs/dbraw/zinc/09/41/70/171094170.db2.gz JJDKYHNAMRCPNN-UHFFFAOYSA-N 0 0 165.236 2.026 10 0 AEAERN Fc1cc(-c2cccnc2)ccn1 47213721 171094228 /nfs/dbraw/zinc/09/42/28/171094228.db2.gz ZAGQECHXYMDJLY-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN c1csc(C2OCCCO2)c1 49804991 171094998 /nfs/dbraw/zinc/09/49/98/171094998.db2.gz XXOLZDVUNIVULR-UHFFFAOYSA-N 0 0 170.233 2.184 10 0 AEAERN CC1(C)CO[C@@H](c2ccccc2F)N1 49811468 171095016 /nfs/dbraw/zinc/09/50/16/171095016.db2.gz YUAGUNDQKPYGML-JTQLQIEISA-N 0 0 195.237 2.223 10 0 AEAERN CC1(C)CO[C@H](c2ccccc2F)N1 49811467 171095043 /nfs/dbraw/zinc/09/50/43/171095043.db2.gz YUAGUNDQKPYGML-SNVBAGLBSA-N 0 0 195.237 2.223 10 0 AEAERN O=Cc1ccc(C(=O)C2CC2)cc1 49805153 171095236 /nfs/dbraw/zinc/09/52/36/171095236.db2.gz ACFBTGXXQIAAPY-UHFFFAOYSA-N 0 0 174.199 2.092 10 0 AEAERN COc1ccccc1[C@@H]1CCC(=O)O1 49806833 171095253 /nfs/dbraw/zinc/09/52/53/171095253.db2.gz WXZNLPPTCNSEBD-JTQLQIEISA-N 0 0 192.214 2.073 10 0 AEAERN O=Cc1cccc(C(=O)C2CC2)c1 49805154 171095267 /nfs/dbraw/zinc/09/52/67/171095267.db2.gz MMODUCQIXFMQKH-UHFFFAOYSA-N 0 0 174.199 2.092 10 0 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2.206 10 0 AEAERN O[C@@H](C1=CCCCC1)[C@@H]1CCCCO1 50972127 171096794 /nfs/dbraw/zinc/09/67/94/171096794.db2.gz QWXKYQLAVYNDEB-RYUDHWBXSA-N 0 0 196.290 2.417 10 0 AEAERN O[C@@H](C1=CCCC1)[C@H]1CCCCO1 50972140 171096916 /nfs/dbraw/zinc/09/69/16/171096916.db2.gz JFRBRJSGSKSUAL-MNOVXSKESA-N 0 0 182.263 2.027 10 0 AEAERN CCNc1ccc(C(C)C)nn1 50868118 171096934 /nfs/dbraw/zinc/09/69/34/171096934.db2.gz KDNPJQISURQPSQ-UHFFFAOYSA-N 0 0 165.240 2.032 10 0 AEAERN O[C@@H](C1=CCCC1)[C@@H]1CCCCO1 50972138 171097086 /nfs/dbraw/zinc/09/70/86/171097086.db2.gz JFRBRJSGSKSUAL-QWRGUYRKSA-N 0 0 182.263 2.027 10 0 AEAERN CCCC1N=NC(=S)N1C1CCC1 52211817 171097552 /nfs/dbraw/zinc/09/75/52/171097552.db2.gz XEVRPOKCPDQQML-UHFFFAOYSA-N 0 0 197.307 2.244 10 0 AEAERN Nc1ccc(F)cc1N1CCCC1 52118759 171097689 /nfs/dbraw/zinc/09/76/89/171097689.db2.gz BEYBOQZZOSVGFL-UHFFFAOYSA-N 0 0 180.226 2.008 10 0 AEAERN CC(C)(C)C(=O)C[C@@H]1CCCO1 52231633 171097804 /nfs/dbraw/zinc/09/78/04/171097804.db2.gz 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/nfs/dbraw/zinc/10/73/23/171107323.db2.gz SRFNZKNZLAZCNT-UHFFFAOYSA-N 0 0 189.258 2.320 10 0 AEAERN CNc1ccc(C(F)(F)F)cc1O 71445502 171107486 /nfs/dbraw/zinc/10/74/86/171107486.db2.gz HANQXMPLCHUQOO-UHFFFAOYSA-N 0 0 191.152 2.453 10 0 AEAERN CNc1ccc(Cl)s1 71452581 171107495 /nfs/dbraw/zinc/10/74/95/171107495.db2.gz KDTSFRUYMGLVQM-UHFFFAOYSA-N 0 0 147.630 2.443 10 0 AEAERN CCOc1ccc(F)cc1NC 71464762 171107550 /nfs/dbraw/zinc/10/75/50/171107550.db2.gz WQEPROMTONMNHD-UHFFFAOYSA-N 0 0 169.199 2.266 10 0 AEAERN CNc1ccc(O)c(C)c1C 71456768 171107599 /nfs/dbraw/zinc/10/75/99/171107599.db2.gz JGIRTRCZYWSUGV-UHFFFAOYSA-N 0 0 151.209 2.051 10 0 AEAERN CCNc1ccc(C(C)=O)cc1F 71498762 171107782 /nfs/dbraw/zinc/10/77/82/171107782.db2.gz KOEHLKSMKRVCHP-UHFFFAOYSA-N 0 0 181.210 2.460 10 0 AEAERN S=C1N=C(c2cc[nH]c2)CS1 71499111 171107971 /nfs/dbraw/zinc/10/79/71/171107971.db2.gz DDRLSXFWNHPOTF-UHFFFAOYSA-N 0 0 182.273 2.427 10 0 AEAERN COC(=N)CCc1cccs1 71496456 171108037 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CC(C)C(=O)Cc1ccccc1O 75568501 171113499 /nfs/dbraw/zinc/11/34/99/171113499.db2.gz BBRNYRRDHCWQTF-UHFFFAOYSA-N 0 0 178.231 2.160 10 0 AEAERN COc1ccc(OC(C)C)c(O)c1 75575888 171113513 /nfs/dbraw/zinc/11/35/13/171113513.db2.gz HNKLZZLXXOJPCM-UHFFFAOYSA-N 0 0 182.219 2.188 10 0 AEAERN CC(C)(C)Sc1ncc(O)cn1 75576682 171113588 /nfs/dbraw/zinc/11/35/88/171113588.db2.gz QVBJPWMVHLWKBM-UHFFFAOYSA-N 0 0 184.264 2.073 10 0 AEAERN OC/C=C/c1ccc(O)c(Cl)c1 75576773 171113599 /nfs/dbraw/zinc/11/35/99/171113599.db2.gz OSXDPXNJKBPXKH-OWOJBTEDSA-N 0 0 184.622 2.051 10 0 AEAERN O=Cc1cccn1-c1ccsc1 75567548 171113700 /nfs/dbraw/zinc/11/37/00/171113700.db2.gz OJDQISNQIRAIIU-UHFFFAOYSA-N 0 0 177.228 2.351 10 0 AEAERN COc1ccc(O)c2c(O)cccc12 75579520 171113762 /nfs/dbraw/zinc/11/37/62/171113762.db2.gz OKGGKXOMTQAJPV-UHFFFAOYSA-N 0 0 190.198 2.260 10 0 AEAERN Cc1ccc2[nH]c3c(c2c1)CN(C)C3 75566886 171113797 /nfs/dbraw/zinc/11/37/97/171113797.db2.gz JKOFQFTWHDXXME-UHFFFAOYSA-N 0 0 186.258 2.422 10 0 AEAERN 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Cn1nccc1C1CCCC1 75840943 171115227 /nfs/dbraw/zinc/11/52/27/171115227.db2.gz WUKZUUDSPMADLD-UHFFFAOYSA-N 0 0 150.225 2.078 10 0 AEAERN Oc1ccc(C2(O)CCCC2)c(F)c1 75846629 171115265 /nfs/dbraw/zinc/11/52/65/171115265.db2.gz MWWVMRRNNFBTLD-UHFFFAOYSA-N 0 0 196.221 2.293 10 0 AEAERN CC(C)c1cccnc1F 75838980 171115287 /nfs/dbraw/zinc/11/52/87/171115287.db2.gz SBKHPHGRNVBNHM-UHFFFAOYSA-N 0 0 139.173 2.344 10 0 AEAERN CN(C)c1ncc(C2CCCC2)cn1 75840696 171115288 /nfs/dbraw/zinc/11/52/88/171115288.db2.gz QZCRCFPYHPDKIR-UHFFFAOYSA-N 0 0 191.278 2.200 10 0 AEAERN CC(C)c1ccccc1C(N)=S 75852025 171115320 /nfs/dbraw/zinc/11/53/20/171115320.db2.gz VHWWTGVDDMVSFM-UHFFFAOYSA-N 0 0 179.288 2.444 10 0 AEAERN Fc1cc(F)c(-c2ncc[nH]2)c(F)c1 75898999 171115546 /nfs/dbraw/zinc/11/55/46/171115546.db2.gz KKECTXKBWAPUFZ-UHFFFAOYSA-N 0 0 198.147 2.494 10 0 AEAERN COc1ccc2c(C3CC3)n[nH]c2c1 75883993 171115705 /nfs/dbraw/zinc/11/57/05/171115705.db2.gz KTCBQAQQIYJVDP-UHFFFAOYSA-N 0 0 188.230 2.449 10 0 AEAERN 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c1c2c(cc3c1NCCN3)CCCC2 76887660 171119437 /nfs/dbraw/zinc/11/94/37/171119437.db2.gz TTWYKRKQQOCAOD-UHFFFAOYSA-N 0 0 188.274 2.403 10 0 AEAERN FOc1ccc2[nH]ccc2c1 77988926 171120311 /nfs/dbraw/zinc/12/03/11/171120311.db2.gz QCVCBPLJSYIIBX-UHFFFAOYSA-N 0 0 151.140 2.431 10 0 AEAERN OC/C=C/c1c[nH]c2ccccc12 77265328 171120543 /nfs/dbraw/zinc/12/05/43/171120543.db2.gz DOSHSCVJAICCNW-ONEGZZNKSA-N 0 0 173.215 2.173 10 0 AEAERN OC/C=C/c1ccc(F)c(Cl)c1 77273330 171120630 /nfs/dbraw/zinc/12/06/30/171120630.db2.gz LSHIRISDMJGLNJ-OWOJBTEDSA-N 0 0 186.613 2.485 10 0 AEAERN [O-][n+]1ccccc1Nc1ccccc1 44559464 171121138 /nfs/dbraw/zinc/12/11/38/171121138.db2.gz DXRWVUPDOKDNKN-UHFFFAOYSA-N 0 0 186.214 2.064 10 0 AEAERN OCCCc1cc2ccccc2o1 44396186 171121148 /nfs/dbraw/zinc/12/11/48/171121148.db2.gz WHFSIFNFVHGTFA-UHFFFAOYSA-N 0 0 176.215 2.358 10 0 AEAERN OCCCc1c[nH]c2cc(F)ccc12 44383389 171121305 /nfs/dbraw/zinc/12/13/05/171121305.db2.gz PDUWRTFFMJWSBF-UHFFFAOYSA-N 0 0 193.221 2.232 10 0 AEAERN 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CC[C@@H](C)C(=O)C(F)(F)F 82717255 171124655 /nfs/dbraw/zinc/12/46/55/171124655.db2.gz KMBBIOJICYHJRQ-SCSAIBSYSA-N 0 0 154.131 2.164 10 0 AEAERN c1c[nH]c(CNc2nccs2)c1 83340420 171131012 /nfs/dbraw/zinc/13/10/12/171131012.db2.gz FFXBLLQBKBLRBK-UHFFFAOYSA-N 0 0 179.248 2.083 10 0 AEAERN CNc1ccc(Cl)c(O)c1 84427244 171131426 /nfs/dbraw/zinc/13/14/26/171131426.db2.gz UYRMGVQWPXLSLE-UHFFFAOYSA-N 0 0 157.600 2.087 10 0 AEAERN Cc1ccccc1C1(CO)CC1 84329847 171131495 /nfs/dbraw/zinc/13/14/95/171131495.db2.gz VSMRMQXNYPEPNY-UHFFFAOYSA-N 0 0 162.232 2.019 10 0 AEAERN CCOC(=O)Cc1cc(C)cs1 85477362 171132218 /nfs/dbraw/zinc/13/22/18/171132218.db2.gz JBOFPOVURUQQAZ-UHFFFAOYSA-N 0 0 184.260 2.162 10 0 AEAERN OCCC[C@H]1C[C@H]2CC[C@@H]1C2 86504727 171132406 /nfs/dbraw/zinc/13/24/06/171132406.db2.gz DCYDDAKRCSSKAN-KXUCPTDWSA-N 0 0 154.253 2.195 10 0 AEAERN c1cncc(Cc2ccc[nH]2)c1 85483139 171132453 /nfs/dbraw/zinc/13/24/53/171132453.db2.gz UYJRXSKXGVDRBI-UHFFFAOYSA-N 0 0 158.204 2.001 10 0 AEAERN 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197.303 2.114 10 0 AEAERN c1cnc(N[C@H]2CC23CCCC3)nc1 306305418 171157249 /nfs/dbraw/zinc/15/72/49/171157249.db2.gz ISPQFJWXFSZCBL-VIFPVBQESA-N 0 0 189.262 2.221 10 0 AEAERN CC1(C)OCC[C@@H]1Nc1ccccn1 306239873 171157320 /nfs/dbraw/zinc/15/73/20/171157320.db2.gz QOSARIQWSFFKNS-VIFPVBQESA-N 0 0 192.262 2.061 10 0 AEAERN c1cnc(N[C@@H]2CC23CCCC3)nc1 306305417 171157355 /nfs/dbraw/zinc/15/73/55/171157355.db2.gz ISPQFJWXFSZCBL-SECBINFHSA-N 0 0 189.262 2.221 10 0 AEAERN CCSCC1CCOCC1 306331860 171157384 /nfs/dbraw/zinc/15/73/84/171157384.db2.gz QBALRZBMTJTVLO-UHFFFAOYSA-N 0 0 160.282 2.166 10 0 AEAERN Cc1ccnc(N(C)CC2CC2)c1 306295467 171157511 /nfs/dbraw/zinc/15/75/11/171157511.db2.gz ZLQHYCAUBGJKHI-UHFFFAOYSA-N 0 0 176.263 2.236 10 0 AEAERN CC[C@@H](C)C(=O)N1CCCC1(C)C 306366620 171157536 /nfs/dbraw/zinc/15/75/36/171157536.db2.gz GYNCFQANRDTNTE-SECBINFHSA-N 0 0 183.295 2.434 10 0 AEAERN CC(=O)CSc1ccc(C)cn1 306306206 171157624 /nfs/dbraw/zinc/15/76/24/171157624.db2.gz DVGZHXWEVNXURV-UHFFFAOYSA-N 0 0 181.260 2.071 10 0 AEAERN CC(C)OC(=O)C1(C)CCC1 306458953 171157841 /nfs/dbraw/zinc/15/78/41/171157841.db2.gz GCFBXFUGDADDOP-UHFFFAOYSA-N 0 0 156.225 2.128 10 0 AEAERN C[C@H]1CC[C@@H](C)N1C(=O)C1=CCC1 306420762 171157884 /nfs/dbraw/zinc/15/78/84/171157884.db2.gz XTZGVJBMNPMEKR-DTORHVGOSA-N 0 0 179.263 2.106 10 0 AEAERN CC(C)CC(=O)N1CCC12CCC2 306509832 171158247 /nfs/dbraw/zinc/15/82/47/171158247.db2.gz JXROUZNCVBMRFI-UHFFFAOYSA-N 0 0 181.279 2.188 10 0 AEAERN CC(C)CC(=O)N1CCCC1(C)C 306780146 171158462 /nfs/dbraw/zinc/15/84/62/171158462.db2.gz BSSOANXGWIVFTA-UHFFFAOYSA-N 0 0 183.295 2.434 10 0 AEAERN CC1(C)C[C@H]1NC(=O)C1=CCCC1 306673068 171158526 /nfs/dbraw/zinc/15/85/26/171158526.db2.gz MVDXQTKHPGHMHQ-SECBINFHSA-N 0 0 179.263 2.011 10 0 AEAERN C/C=C(/C)c1nc(CC2CC2)no1 306711546 171158715 /nfs/dbraw/zinc/15/87/15/171158715.db2.gz NOGLNLMUOJETLL-CLTKARDFSA-N 0 0 178.235 2.445 10 0 AEAERN Cc1ccc(CN2CC(F)C2)cc1 306633485 171158849 /nfs/dbraw/zinc/15/88/49/171158849.db2.gz RNLGYVCICPBTLU-UHFFFAOYSA-N 0 0 179.238 2.149 10 0 AEAERN CC(C)c1cccc(CO)c1O 142862448 171159777 /nfs/dbraw/zinc/15/97/77/171159777.db2.gz MWBJMKYZFGPEMT-UHFFFAOYSA-N 0 0 166.220 2.008 10 0 AEAERN O=c1cc(-c2ccccc2)s[nH]1 147399344 171160618 /nfs/dbraw/zinc/16/06/18/171160618.db2.gz PNBULFZVDYPCLI-UHFFFAOYSA-N 0 0 177.228 2.103 10 0 AEAERN O=Cc1cccn1-c1ccc2n1CC=C2 75600496 171161211 /nfs/dbraw/zinc/16/12/11/171161211.db2.gz CDNKIYBKDCEQSE-UHFFFAOYSA-N 0 0 198.225 2.118 10 0 AEAERN CC(C)CC(=O)N1CCCCC1 5497473 171161311 /nfs/dbraw/zinc/16/13/11/171161311.db2.gz BCVHFAJWGDZJSA-UHFFFAOYSA-N 0 0 169.268 2.045 10 0 AEAERN CC(C)C(=O)CCC1CCOCC1 52173683 171161520 /nfs/dbraw/zinc/16/15/20/171161520.db2.gz PQMXXXPPGZZHNA-UHFFFAOYSA-N 0 0 184.279 2.418 10 0 AEAERN Cc1ccccc1CNc1cccnn1 52830855 171162308 /nfs/dbraw/zinc/16/23/08/171162308.db2.gz FHCYLWUQDPNKIP-UHFFFAOYSA-N 0 0 199.257 2.397 10 0 AEAERN c1ccc(CCNc2cccnn2)cc1 52815907 171162312 /nfs/dbraw/zinc/16/23/12/171162312.db2.gz GATDVILSXXNDGX-UHFFFAOYSA-N 0 0 199.257 2.131 10 0 AEAERN CCCCCCC(=O)C(OC)OC 1692334 171163029 /nfs/dbraw/zinc/16/30/29/171163029.db2.gz FIDMQGRMNRGYSK-UHFFFAOYSA-N 0 0 188.267 2.145 10 0 AEAERN [O-][n+]1ccc(CCc2ccccc2)cc1 1763543 171163048 /nfs/dbraw/zinc/16/30/48/171163048.db2.gz KCRKAFHOYSSLFT-UHFFFAOYSA-N 0 0 199.253 2.105 10 0 AEAERN CCCCCC(=O)NCC(C)C 1676578 171163261 /nfs/dbraw/zinc/16/32/61/171163261.db2.gz GALBASZQDFWTEP-UHFFFAOYSA-N 0 0 171.284 2.339 10 0 AEAERN CC(C)N(C(=O)[C@@H]1CC12CC2)C1CC1 334986271 171163418 /nfs/dbraw/zinc/16/34/18/171163418.db2.gz KBPUXODQEXNRAY-JTQLQIEISA-N 0 0 193.290 2.186 10 0 AEAERN CCCCOC(=O)C(C)(C)C 2569240 171163749 /nfs/dbraw/zinc/16/37/49/171163749.db2.gz FCDMDSDHBVPGGE-UHFFFAOYSA-N 0 0 158.241 2.376 10 0 AEAERN COC(/C=C/c1ccccc1)OC 2037895 171163852 /nfs/dbraw/zinc/16/38/52/171163852.db2.gz MBAOABFNWSOOLU-CMDGGOBGSA-N 0 0 178.231 2.319 10 0 AEAERN NC(=O)c1cccc(-c2ccccc2)c1 2391797 171163913 /nfs/dbraw/zinc/16/39/13/171163913.db2.gz IYZIARNSXPGYSC-UHFFFAOYSA-N 0 0 197.237 2.453 10 0 AEAERN CCOC(=N)CC(=O)c1ccccc1 102940539 171163916 /nfs/dbraw/zinc/16/39/16/171163916.db2.gz GPQAELPAIMPDHO-UHFFFAOYSA-N 0 0 191.230 2.273 10 0 AEAERN C=Cc1c(C)[nH]c(C(=O)OCC)c1C 5857853 171164606 /nfs/dbraw/zinc/16/46/06/171164606.db2.gz WHNXXZHEPXMYFL-UHFFFAOYSA-N 0 0 193.246 2.451 10 0 AEAERN CCCCCCC(=O)NC1CC1 6041095 171164862 /nfs/dbraw/zinc/16/48/62/171164862.db2.gz HIAJQFYFJOMYPG-UHFFFAOYSA-N 0 0 169.268 2.235 10 0 AEAERN CC/C=C/CCC(=O)OCC 5761876 171164985 /nfs/dbraw/zinc/16/49/85/171164985.db2.gz GITGIBUELGTBSG-AATRIKPKSA-N 0 0 156.225 2.296 10 0 AEAERN C=Cc1cc(OC)c(OC)cc1OC 5998877 171165079 /nfs/dbraw/zinc/16/50/79/171165079.db2.gz DAINMNHDGRVBQF-UHFFFAOYSA-N 0 0 194.230 2.355 10 0 biogenic,in-vitro AEAERN CC(C)=CCC/C(C)=C/C(N)=O 5426965 171165161 /nfs/dbraw/zinc/16/51/61/171165161.db2.gz JJYIOZSRKCDLFJ-VQHVLOKHSA-N 0 0 167.252 2.164 10 0 AEAERN COc1ccccc1CCC(C)=O 9280621 171165561 /nfs/dbraw/zinc/16/55/61/171165561.db2.gz DUTRTHUPRZLRSD-UHFFFAOYSA-N 0 0 178.231 2.217 10 0 AEAERN Cc1ccc([Si](C)(C)C)o1 169996751 171166062 /nfs/dbraw/zinc/16/60/62/171166062.db2.gz GSYWJNCPNXKGCS-UHFFFAOYSA-N 0 0 154.285 2.133 10 0 AEAERN CC[C@@H]1CCC[C@](C[NH3+])(CC(=O)[O-])C1 13779544 171166931 /nfs/dbraw/zinc/16/69/31/171166931.db2.gz HXUBOSJPAXYTOQ-MWLCHTKSSA-N 0 0 199.294 2.006 10 0 AEAERN [NH3+]Cc1ccc2cc(Cl)ccc2n1 40539040 171166973 /nfs/dbraw/zinc/16/69/73/171166973.db2.gz WHSHMXLCBVHPPP-UHFFFAOYSA-N 0 0 192.649 2.347 10 0 AEAERN CC/C=C/C=C/C(=O)OCC 15270308 171167331 /nfs/dbraw/zinc/16/73/31/171167331.db2.gz XQILWIDABNBQOJ-BSWSSELBSA-N 0 0 154.209 2.072 10 0 AEAERN CC[C@@H]1CCN1C(=O)C(C)(C)CC 335452901 171167484 /nfs/dbraw/zinc/16/74/84/171167484.db2.gz VGQPLVAEHMLQOZ-SECBINFHSA-N 0 0 183.295 2.434 10 0 AEAERN CC(=O)Nc1c(C)cc(F)cc1C 16269449 171167687 /nfs/dbraw/zinc/16/76/87/171167687.db2.gz HYANNSBSCWEIQO-UHFFFAOYSA-N 0 0 181.210 2.401 10 0 AEAERN CC1(C(=O)N2CC(C(C)(C)C)C2)CC1 335095396 171167738 /nfs/dbraw/zinc/16/77/38/171167738.db2.gz IXILGHMPHOAKCK-UHFFFAOYSA-N 0 0 195.306 2.291 10 0 AEAERN [O-][n+]1cccc(CCc2ccccc2)c1 15772227 171167803 /nfs/dbraw/zinc/16/78/03/171167803.db2.gz QPDZAAFAAADIRA-UHFFFAOYSA-N 0 0 199.253 2.105 10 0 AEAERN C=Cc1c(OC)cc(OC)cc1OC 14829553 171167884 /nfs/dbraw/zinc/16/78/84/171167884.db2.gz CORMBJOFDGICKF-UHFFFAOYSA-N 0 0 194.230 2.355 10 0 AEAERN CC[C@@H]1CCN(C(=O)CC2CCC2)C1 335732238 171168253 /nfs/dbraw/zinc/16/82/53/171168253.db2.gz BBCBOXHRHOGXET-SNVBAGLBSA-N 0 0 195.306 2.435 10 0 AEAERN NC(=S)CCCOC1CCCC1 19438824 171168257 /nfs/dbraw/zinc/16/82/57/171168257.db2.gz ZAIDWRGSOUXUCB-UHFFFAOYSA-N 0 0 187.308 2.012 10 0 AEAERN NC(=S)CCCOc1ccccc1 19505674 171168333 /nfs/dbraw/zinc/16/83/33/171168333.db2.gz VZYOGGATUWXMEG-UHFFFAOYSA-N 0 0 195.287 2.132 10 0 AEAERN Nc1ccc(Cl)c(-n2cccn2)c1 82387725 171168888 /nfs/dbraw/zinc/16/88/88/171168888.db2.gz XYCJFWLCVVULPX-UHFFFAOYSA-N 0 0 193.637 2.108 10 0 AEAERN Nc1ccc(Cl)c(-n2ccnc2)c1 82387720 171168947 /nfs/dbraw/zinc/16/89/47/171168947.db2.gz YQLGXBPZPIIKGM-UHFFFAOYSA-N 0 0 193.637 2.108 10 0 AEAERN CN1CCCCc2cc(N)cc(F)c21 82387236 171169033 /nfs/dbraw/zinc/16/90/33/171169033.db2.gz AOZJELCDNAJCHW-UHFFFAOYSA-N 0 0 194.253 2.180 10 0 AEAERN CC(C)CC(=O)Cc1ccccn1 20427158 171169368 /nfs/dbraw/zinc/16/93/68/171169368.db2.gz XEVXNPTXPGBOTN-UHFFFAOYSA-N 0 0 177.247 2.239 10 0 AEAERN CC(C)c1ccn2cc(C=O)nc2c1 82391393 171169690 /nfs/dbraw/zinc/16/96/90/171169690.db2.gz JBXWNGHOSCHTRK-UHFFFAOYSA-N 0 0 188.230 2.270 10 0 AEAERN COc1ccc2[nH]c(C=O)cc2c1C 82391026 171169707 /nfs/dbraw/zinc/16/97/07/171169707.db2.gz RFIWMJUIPUVKSO-UHFFFAOYSA-N 0 0 189.214 2.297 10 0 AEAERN Nc1c(C=O)ccc2ccsc12 82398293 171170835 /nfs/dbraw/zinc/17/08/35/171170835.db2.gz OEFUHKIXYDAYBI-UHFFFAOYSA-N 0 0 177.228 2.296 10 0 AEAERN O=C1CCSC2(CCCC2)C1 82400802 171170836 /nfs/dbraw/zinc/17/08/36/171170836.db2.gz VVMBVJZHVGHQGV-UHFFFAOYSA-N 0 0 170.277 2.395 10 0 AEAERN Nc1c(C=O)ccc2sccc12 82398292 171170903 /nfs/dbraw/zinc/17/09/03/171170903.db2.gz AEGWCGRYUUSVOQ-UHFFFAOYSA-N 0 0 177.228 2.296 10 0 AEAERN c1c(C2CCCC2)[nH]c2c1C[NH2+]C2 82398592 171170905 /nfs/dbraw/zinc/17/09/05/171170905.db2.gz BMWPZOMVKHXHBH-UHFFFAOYSA-N 0 0 176.263 2.276 10 0 AEAERN O=C1CCSc2cscc21 82400805 171170940 /nfs/dbraw/zinc/17/09/40/171170940.db2.gz RFUATQYPFHSYEU-UHFFFAOYSA-N 0 0 170.258 2.427 10 0 AEAERN COc1ccc2c(N)c(C)[nH]c2c1 82398718 171170993 /nfs/dbraw/zinc/17/09/93/171170993.db2.gz BRZSDMWYYIMGTK-UHFFFAOYSA-N 0 0 176.219 2.067 10 0 AEAERN CN1CCCCc2cccc(N)c21 82398590 171171051 /nfs/dbraw/zinc/17/10/51/171171051.db2.gz SRKFMUPZALGVHG-UHFFFAOYSA-N 0 0 176.263 2.041 10 0 AEAERN COc1ccc2c(C=O)coc2c1 82398929 171171087 /nfs/dbraw/zinc/17/10/87/171171087.db2.gz LQLYPJOERRBWGH-UHFFFAOYSA-N 0 0 176.171 2.254 10 0 AEAERN CCC1(C(=O)N2C[C@@H](C)[C@H]2C)CC1 334188219 171171608 /nfs/dbraw/zinc/17/16/08/171171608.db2.gz GKEOLSAQEBJEKP-RKDXNWHRSA-N 0 0 181.279 2.043 10 0 AEAERN CCC1(C(=O)N2C[C@@H](C)[C@@H]2C)CC1 334188210 171171621 /nfs/dbraw/zinc/17/16/21/171171621.db2.gz GKEOLSAQEBJEKP-BDAKNGLRSA-N 0 0 181.279 2.043 10 0 AEAERN O=C1CCSC2(CCC2)C1 82406232 171171647 /nfs/dbraw/zinc/17/16/47/171171647.db2.gz RBSKRGOHLWHZOL-UHFFFAOYSA-N 0 0 156.250 2.005 10 0 AEAERN O=Cc1cccc2c1CCS2 82404227 171171690 /nfs/dbraw/zinc/17/16/90/171171690.db2.gz QVSCZEYKEVCTBY-UHFFFAOYSA-N 0 0 164.229 2.147 10 0 AEAERN O=Cc1cccc2nscc12 82404580 171171713 /nfs/dbraw/zinc/17/17/13/171171713.db2.gz MCMHMOCILXMNRV-UHFFFAOYSA-N 0 0 163.201 2.109 10 0 AEAERN CCc1[nH]c(=S)c(N)cc1C 82401823 171171766 /nfs/dbraw/zinc/17/17/66/171171766.db2.gz LNYMRVRMNKIGMA-UHFFFAOYSA-N 0 0 168.265 2.197 10 0 AEAERN Cc1ccc(Br)[nH]1 82405388 171171851 /nfs/dbraw/zinc/17/18/51/171171851.db2.gz OEGCHIFCDMNNSW-UHFFFAOYSA-N 0 0 160.014 2.086 10 0 AEAERN CC(C)c1ccoc1C=O 82410706 171172077 /nfs/dbraw/zinc/17/20/77/171172077.db2.gz AHLAKISYOUSVNM-UHFFFAOYSA-N 0 0 138.166 2.216 10 0 AEAERN O=c1cc(-c2cc(F)ccc2F)[n-][nH]1 82530982 171172093 /nfs/dbraw/zinc/17/20/93/171172093.db2.gz ICSNOFFPIBBBDI-UHFFFAOYSA-N 0 0 196.156 2.061 10 0 AEAERN O=c1cc(-c2ccc(F)cc2F)[n-][nH]1 82530984 171172386 /nfs/dbraw/zinc/17/23/86/171172386.db2.gz KLPOQFQRYFECGD-UHFFFAOYSA-N 0 0 196.156 2.061 10 0 AEAERN CCCC(N)=NC(=O)OC(C)(C)C 82529958 171172441 /nfs/dbraw/zinc/17/24/41/171172441.db2.gz RRXREZAPSNUTLX-UHFFFAOYSA-N 0 0 186.255 2.288 10 0 AEAERN COc1ccc(NN)cc1C(C)C 82587962 171172940 /nfs/dbraw/zinc/17/29/40/171172940.db2.gz XDLQFFPGQFWWSV-UHFFFAOYSA-N 0 0 180.251 2.104 10 0 AEAERN Nc1ccc(Cl)c(-c2ncc[nH]2)c1 82530764 171173306 /nfs/dbraw/zinc/17/33/06/171173306.db2.gz WUZKDRIVXJZOCX-UHFFFAOYSA-N 0 0 193.637 2.312 10 0 AEAERN Nc1ccc(Cl)cc1-c1ncc[nH]1 82530766 171173311 /nfs/dbraw/zinc/17/33/11/171173311.db2.gz BXTRHGNDTSAOLF-UHFFFAOYSA-N 0 0 193.637 2.312 10 0 AEAERN COc1ccc2c(C)c(C=O)[nH]c2c1 82588269 171173367 /nfs/dbraw/zinc/17/33/67/171173367.db2.gz KSTSOHMXEVUIAR-UHFFFAOYSA-N 0 0 189.214 2.297 10 0 AEAERN Cc1ccccc1NCc1ncccn1 54459046 171173550 /nfs/dbraw/zinc/17/35/50/171173550.db2.gz ZCLNNOAYQCVOAD-UHFFFAOYSA-N 0 0 199.257 2.397 10 0 AEAERN CO[C@@H]1OCc2c(C)ccc(C)c21 202225020 171173758 /nfs/dbraw/zinc/17/37/58/171173758.db2.gz BUDSSYVCPZOLIR-LLVKDONJSA-N 0 0 178.231 2.479 10 0 AEAERN CN1C(=O)C(C)(C)c2cc(F)ccc21 82588678 171173983 /nfs/dbraw/zinc/17/39/83/171173983.db2.gz JYPVKRQCTICFTB-UHFFFAOYSA-N 0 0 193.221 2.080 10 0 AEAERN CN1C(=O)C(C)(C)c2ccc(F)cc21 82588680 171174225 /nfs/dbraw/zinc/17/42/25/171174225.db2.gz OGRYISOGGTZIDG-UHFFFAOYSA-N 0 0 193.221 2.080 10 0 AEAERN Cc1ccccc1NCc1cnccn1 54765545 171174823 /nfs/dbraw/zinc/17/48/23/171174823.db2.gz DQTNWBINRUOZMA-UHFFFAOYSA-N 0 0 199.257 2.397 10 0 AEAERN Cc1ccccc1NCc1ccncn1 54788694 171174855 /nfs/dbraw/zinc/17/48/55/171174855.db2.gz GXLTUZADRPGTQM-UHFFFAOYSA-N 0 0 199.257 2.397 10 0 AEAERN O[C@@H](CC(F)(F)F)c1ccncc1 82719799 171175036 /nfs/dbraw/zinc/17/50/36/171175036.db2.gz GSSMQSRHHHMBAF-ZETCQYMHSA-N 0 0 191.152 2.067 10 0 AEAERN CN(C)c1csc2cccnc12 204921934 171175104 /nfs/dbraw/zinc/17/51/04/171175104.db2.gz IPXOWLMMGGAUAS-UHFFFAOYSA-N 0 0 178.260 2.362 10 0 AEAERN Cc1ccc2nc(NC3CC3)[nH]c2c1 82739719 171175223 /nfs/dbraw/zinc/17/52/23/171175223.db2.gz NPPSKODYAPDXAT-UHFFFAOYSA-N 0 0 187.246 2.446 10 0 AEAERN O=Cc1ccccc1-c1ccno1 82867965 171176196 /nfs/dbraw/zinc/17/61/96/171176196.db2.gz KQWHPSYRYFHMLO-UHFFFAOYSA-N 0 0 173.171 2.154 10 0 AEAERN Cc1ccc2[nH]c(C)c(N)c2c1 82850197 171176476 /nfs/dbraw/zinc/17/64/76/171176476.db2.gz PIRLHSFRGJEZBM-UHFFFAOYSA-N 0 0 160.220 2.367 10 0 AEAERN COc1ccc2[nH]ccc2c1C(C)=O 82880940 171176945 /nfs/dbraw/zinc/17/69/45/171176945.db2.gz ZIOZRBZDIHRKGK-UHFFFAOYSA-N 0 0 189.214 2.379 10 0 AEAERN CN1CCc2cc(C=O)c(Cl)cc21 82908385 171177438 /nfs/dbraw/zinc/17/74/38/171177438.db2.gz HZKKSLYPFGMQCE-UHFFFAOYSA-N 0 0 195.649 2.145 10 0 AEAERN CC[C@@H](C)C(=O)N1CCC12CCC2 306926151 171177715 /nfs/dbraw/zinc/17/77/15/171177715.db2.gz PDLMVIIJMPXLGD-SECBINFHSA-N 0 0 181.279 2.188 10 0 AEAERN Cc1ccccc1CN1CCCO1 307101279 171177743 /nfs/dbraw/zinc/17/77/43/171177743.db2.gz USIAQJJSYLJDAM-UHFFFAOYSA-N 0 0 177.247 2.132 10 0 AEAERN Cc1ccccc1CN1CC(F)C1 307046499 171177822 /nfs/dbraw/zinc/17/78/22/171177822.db2.gz XTSSKFAEESVAGH-UHFFFAOYSA-N 0 0 179.238 2.149 10 0 AEAERN CCSCC1CCC(O)CC1 307127626 171177957 /nfs/dbraw/zinc/17/79/57/171177957.db2.gz WIALPIDVGNOOFP-UHFFFAOYSA-N 0 0 174.309 2.291 10 0 AEAERN CCCCc1cc(C)ncn1 211708560 171178564 /nfs/dbraw/zinc/17/85/64/171178564.db2.gz VHRMAAUKZGMEOW-UHFFFAOYSA-N 0 0 150.225 2.128 10 0 AEAERN C[S@@](=O)c1cc(Cl)ccc1F 307458831 171178845 /nfs/dbraw/zinc/17/88/45/171178845.db2.gz DHRFLMOIKGNHEK-LLVKDONJSA-N 0 0 192.642 2.217 10 0 AEAERN O=Cc1cccc(C2CCC2)n1 211572810 171178935 /nfs/dbraw/zinc/17/89/35/171178935.db2.gz JHLMEXQVVOMGLS-UHFFFAOYSA-N 0 0 161.204 2.162 10 0 AEAERN Nc1ccc2[nH]nc(-c3ccoc3)c2c1 211514854 171179255 /nfs/dbraw/zinc/17/92/55/171179255.db2.gz JTFBPLFRHHOMBK-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN CC1(C)C[C@H]1NC(=O)CC1CCC1 307537790 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/nfs/dbraw/zinc/20/04/85/344200485.db2.gz FHWWJOHNSLCWJL-UHFFFAOYSA-N 0 0 184.582 2.291 10 0 AEAERN CC[C@H](CSC)Nc1cccnn1 162127484 344203913 /nfs/dbraw/zinc/20/39/13/344203913.db2.gz DBCGAOSRLRXCHH-MRVPVSSYSA-N 0 0 197.307 2.030 10 0 AEAERN Cc1ccc(-c2cnc(N)s2)nc1 162390368 344207649 /nfs/dbraw/zinc/20/76/49/344207649.db2.gz FWTKKVYQLXXAQN-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN CCn1nc(C)c2c1S[C@H](C)CN2 162427649 344208019 /nfs/dbraw/zinc/20/80/19/344208019.db2.gz LFAGGSRWHIBLMO-ZCFIWIBFSA-N 0 0 197.307 2.118 10 0 AEAERN Cc1ccnc2c1NC[C@@H](C)S2 162426806 344208023 /nfs/dbraw/zinc/20/80/23/344208023.db2.gz FYSKIWAFUAZMSQ-SSDOTTSWSA-N 0 0 180.276 2.296 10 0 AEAERN Cc1ccnc2c1NC[C@H](C)S2 162426694 344208030 /nfs/dbraw/zinc/20/80/30/344208030.db2.gz FYSKIWAFUAZMSQ-ZETCQYMHSA-N 0 0 180.276 2.296 10 0 AEAERN COc1cccc2c1NCCS2 162412479 344208040 /nfs/dbraw/zinc/20/80/40/344208040.db2.gz SBDGTGBCWBLRRH-UHFFFAOYSA-N 0 0 181.260 2.213 10 0 AEAERN Cc1cnc2c(c1)NC[C@@H](C)S2 162432085 344208603 /nfs/dbraw/zinc/20/86/03/344208603.db2.gz KSKPNVSLTCIPIZ-SSDOTTSWSA-N 0 0 180.276 2.296 10 0 AEAERN Cc1cnc2c(c1)NC[C@H](C)S2 162432212 344208618 /nfs/dbraw/zinc/20/86/18/344208618.db2.gz KSKPNVSLTCIPIZ-ZETCQYMHSA-N 0 0 180.276 2.296 10 0 AEAERN CCC(=O)[C@@]1(C)CCCS1 162523660 344209572 /nfs/dbraw/zinc/20/95/72/344209572.db2.gz YVOMMJVIGZVBAU-MRVPVSSYSA-N 0 0 158.266 2.251 10 0 AEAERN C[C@@H]1C[C@H]1C(=O)[C@]1(C)CCCS1 162602201 344210749 /nfs/dbraw/zinc/21/07/49/344210749.db2.gz XEEFJKOBRDMWJV-MRTMQBJTSA-N 0 0 184.304 2.497 10 0 AEAERN Cc1ccc([C@H]2N[C@H](C)CS2)cn1 162353342 344206509 /nfs/dbraw/zinc/20/65/09/344206509.db2.gz OKSSTWWYMVBWTM-SCZZXKLOSA-N 0 0 194.303 2.114 10 0 AEAERN C[C@]1(C(=O)C2CC2)CCCS1 162600662 344210851 /nfs/dbraw/zinc/21/08/51/344210851.db2.gz GSODHEMXRFSRRO-SECBINFHSA-N 0 0 170.277 2.251 10 0 AEAERN C[C@H]1Cc2ccc(F)cc2[C@@H](O)C1 162649063 344211686 /nfs/dbraw/zinc/21/16/86/344211686.db2.gz SFBUJPHFYWBGFQ-CPCISQLKSA-N 0 0 180.222 2.441 10 0 AEAERN CC(C)c1c[nH]c(=O)n1C1CCCC1 162726718 344212730 /nfs/dbraw/zinc/21/27/30/344212730.db2.gz ZIJDPDNBGMTJDL-UHFFFAOYSA-N 0 0 194.278 2.415 10 0 AEAERN CC1(C)CNc2cccnc2S1 162729908 344212741 /nfs/dbraw/zinc/21/27/41/344212741.db2.gz HYLWNWIYBFFFBI-UHFFFAOYSA-N 0 0 180.276 2.378 10 0 AEAERN CC[C@@H]1CNc2cnccc2S1 162716295 344212746 /nfs/dbraw/zinc/21/27/46/344212746.db2.gz LMXAOODYGXBQDM-SSDOTTSWSA-N 0 0 180.276 2.378 10 0 AEAERN Cc1nn(C)c2c1NCC(C)(C)S2 162730465 344212761 /nfs/dbraw/zinc/21/27/61/344212761.db2.gz LIZFWJODPSNXEM-UHFFFAOYSA-N 0 0 197.307 2.025 10 0 AEAERN CC[C@@H]1CNc2cccnc2S1 162711568 344212766 /nfs/dbraw/zinc/21/27/66/344212766.db2.gz FGKBTXOPSZXEOT-SSDOTTSWSA-N 0 0 180.276 2.378 10 0 AEAERN CC[C@@H]1CNc2c(C)nn(C)c2S1 162712889 344212768 /nfs/dbraw/zinc/21/27/68/344212768.db2.gz VRVDLNHVLYUOHV-SSDOTTSWSA-N 0 0 197.307 2.025 10 0 AEAERN CC(=O)[C@H]1CCc2ccccc2N1C 162780746 344213736 /nfs/dbraw/zinc/21/37/36/344213736.db2.gz DENNSHFHNFTLAH-LLVKDONJSA-N 0 0 189.258 2.027 10 0 AEAERN C[C@H](Nc1nncs1)C(C)(C)C 162848618 344215040 /nfs/dbraw/zinc/21/50/40/344215040.db2.gz GQIHXAWPCUGTCG-LURJTMIESA-N 0 0 185.296 2.385 10 0 AEAERN Cc1ncsc1[C@@H](N)c1ccco1 162856845 344215090 /nfs/dbraw/zinc/21/50/90/344215090.db2.gz BLVJGVOYHMQEAH-QMMMGPOBSA-N 0 0 194.259 2.093 10 0 AEAERN C[C@@H]1C[C@@H]1C(=O)Cc1ccco1 163153792 344219868 /nfs/dbraw/zinc/21/98/68/344219868.db2.gz LTYHJZOAOHXDAG-APPZFPTMSA-N 0 0 164.204 2.047 10 0 AEAERN C[C@H]1C[C@H]1C(=O)Cc1ccco1 163154124 344219944 /nfs/dbraw/zinc/21/99/44/344219944.db2.gz LTYHJZOAOHXDAG-IONNQARKSA-N 0 0 164.204 2.047 10 0 AEAERN O=C1CCNc2cccc(Cl)c2N1 163174210 344219953 /nfs/dbraw/zinc/21/99/53/344219953.db2.gz ZTGIBENMKKOSMM-UHFFFAOYSA-N 0 0 196.637 2.094 10 0 AEAERN CSc1ncccc1C(C)=O 163130431 344219971 /nfs/dbraw/zinc/21/99/71/344219971.db2.gz FYODDCVWCSQUPK-UHFFFAOYSA-N 0 0 167.233 2.006 10 0 AEAERN C[C@H]1Nc2cccc(Cl)c2NC1=O 163174347 344219980 /nfs/dbraw/zinc/21/99/80/344219980.db2.gz HZALNKXWHINNBH-RXMQYKEDSA-N 0 0 196.637 2.093 10 0 AEAERN CC1(C)C[C@H]1Nc1ncncc1Cl 163604936 344225927 /nfs/dbraw/zinc/22/59/27/344225927.db2.gz VIENSJQINGSUBM-SSDOTTSWSA-N 0 0 197.669 2.340 10 0 AEAERN O=C1C[C@H](c2cc(Cl)ccc2F)N1 163787474 344230255 /nfs/dbraw/zinc/23/02/55/344230255.db2.gz RGRFHISTIYMTGX-MRVPVSSYSA-N 0 0 199.612 2.040 10 0 AEAERN O=C1C[C@H](c2ccc(Cl)cc2F)N1 163787694 344230275 /nfs/dbraw/zinc/23/02/75/344230275.db2.gz PCHJPTIFVMDLNY-MRVPVSSYSA-N 0 0 199.612 2.040 10 0 AEAERN Cc1ccoc1C(=O)c1ccoc1 163861145 344231757 /nfs/dbraw/zinc/23/17/57/344231757.db2.gz DSGMVPGFBLZSTC-UHFFFAOYSA-N 0 0 176.171 2.412 10 0 AEAERN Cc1ccc(F)cc1C[C@@H](O)C1CC1 163856541 344231868 /nfs/dbraw/zinc/23/18/68/344231868.db2.gz AZUFSCURXYDGMO-GFCCVEGCSA-N 0 0 194.249 2.448 10 0 AEAERN C[NH2+][C@@H](C=C(C)C)c1cncc(F)c1 164055344 344235889 /nfs/dbraw/zinc/23/58/89/344235889.db2.gz OKAIJUSTBQGACR-NSHDSACASA-N 0 0 194.253 2.447 10 0 AEAERN CC[C@@H](NO)c1cccc(F)c1 164085634 344236341 /nfs/dbraw/zinc/23/63/41/344236341.db2.gz VMYVGAPZQHDGHZ-SECBINFHSA-N 0 0 169.199 2.256 10 0 AEAERN CC[C@H](NO)c1cccc(F)c1 164085512 344236342 /nfs/dbraw/zinc/23/63/42/344236342.db2.gz VMYVGAPZQHDGHZ-VIFPVBQESA-N 0 0 169.199 2.256 10 0 AEAERN CC1(Nc2ccccn2)CC1 164078964 344236391 /nfs/dbraw/zinc/23/63/91/344236391.db2.gz NYTJOSUBHCAROS-UHFFFAOYSA-N 0 0 148.209 2.046 10 0 AEAERN Nc1cc(Cl)ccc1N1CCCO1 164140805 344237994 /nfs/dbraw/zinc/23/79/94/344237994.db2.gz JUNGXPJWPWJYAK-UHFFFAOYSA-N 0 0 198.653 2.064 10 0 AEAERN CC[C@@]1(c2cccc(F)c2)C[C@@H]1CO 164165382 344238668 /nfs/dbraw/zinc/23/86/68/344238668.db2.gz CTZMNPHTVHBITH-PWSUYJOCSA-N 0 0 194.249 2.486 10 0 AEAERN CC[C@@]1(c2cccc(F)c2)C[C@H]1CO 164165639 344238669 /nfs/dbraw/zinc/23/86/69/344238669.db2.gz CTZMNPHTVHBITH-JQWIXIFHSA-N 0 0 194.249 2.486 10 0 AEAERN CO[C@@H](C)c1nc2cc(F)ccc2[nH]1 163859758 344231840 /nfs/dbraw/zinc/23/18/40/344231840.db2.gz VQONVMDLYNMEBM-LURJTMIESA-N 0 0 194.209 2.409 10 0 AEAERN CC[C@@H](C)C1(O)CCC(OC)CC1 164311128 344241125 /nfs/dbraw/zinc/24/11/25/344241125.db2.gz VJKRNXAAKVDFLL-KPPDAEKUSA-N 0 0 186.295 2.353 10 0 AEAERN C[C@H]1C[C@@H]1C(=O)C1CCC1 164205070 344239474 /nfs/dbraw/zinc/23/94/74/344239474.db2.gz OWJCOMQYTOKALD-XPUUQOCRSA-N 0 0 138.210 2.012 10 0 AEAERN Cc1cnc(C[C@H]2CCCO2)s1 164736107 344251115 /nfs/dbraw/zinc/25/11/15/344251115.db2.gz NWTNCYUBBOJBPG-MRVPVSSYSA-N 0 0 183.276 2.173 10 0 AEAERN Cc1cnc([C@]2(C)CCCO2)s1 164752759 344251530 /nfs/dbraw/zinc/25/15/30/344251530.db2.gz YAVBIDSNNLHRKW-VIFPVBQESA-N 0 0 183.276 2.477 10 0 AEAERN Cc1cnc(C2CC2)s1 164746617 344251562 /nfs/dbraw/zinc/25/15/62/344251562.db2.gz XJKCFYKWHXHITC-UHFFFAOYSA-N 0 0 139.223 2.329 10 0 AEAERN Cc1cnc(C2CCOCC2)s1 164742837 344251572 /nfs/dbraw/zinc/25/15/72/344251572.db2.gz YLQOOHUDCQBAHM-UHFFFAOYSA-N 0 0 183.276 2.346 10 0 AEAERN Cc1ccoc1[C@H](O)CC1CC1 165088487 344258024 /nfs/dbraw/zinc/25/80/24/344258024.db2.gz WLSJNHRPUMEHHA-SECBINFHSA-N 0 0 166.220 2.422 10 0 AEAERN CC[C@H](C)Cc1onc(N)c1Cl 164828074 344252951 /nfs/dbraw/zinc/25/29/51/344252951.db2.gz ZLRYHCFFKXONQM-YFKPBYRVSA-N 0 0 188.658 2.499 10 0 AEAERN COc1cc2nc(N)sc2cc1F 165190082 344259550 /nfs/dbraw/zinc/25/95/50/344259550.db2.gz GWFUCUXXHYVFKV-UHFFFAOYSA-N 0 0 198.222 2.026 10 0 AEAERN C/C=C(/CO)c1ccccc1 165569127 344266651 /nfs/dbraw/zinc/26/66/51/344266651.db2.gz KOYDEWHBMASJEF-MBXJOHMKSA-N 0 0 148.205 2.082 10 0 AEAERN Cc1cc(N)c(Cl)c(F)c1 165835980 344271151 /nfs/dbraw/zinc/27/11/51/344271151.db2.gz WTDIMPOHNXALDM-UHFFFAOYSA-N 0 0 159.591 2.370 10 0 AEAERN CCOC(=O)C1(CC)CC=CC1 166126800 344275488 /nfs/dbraw/zinc/27/54/88/344275488.db2.gz JGVCHZPFUDLZEN-UHFFFAOYSA-N 0 0 168.236 2.296 10 0 AEAERN CC[C@@]1(O)CCCc2occc21 166151964 344275551 /nfs/dbraw/zinc/27/55/51/344275551.db2.gz BQKIABBDXKWPRK-SNVBAGLBSA-N 0 0 166.220 2.214 10 0 AEAERN CC[C@]1(O)CCCc2occc21 166151862 344275560 /nfs/dbraw/zinc/27/55/60/344275560.db2.gz BQKIABBDXKWPRK-JTQLQIEISA-N 0 0 166.220 2.214 10 0 AEAERN O[C@@]1(c2ccncc2F)C=CCCC1 165947847 344272647 /nfs/dbraw/zinc/27/26/47/344272647.db2.gz ASYYAMVXADCLBT-NSHDSACASA-N 0 0 193.221 2.148 10 0 AEAERN CNc1ccncc1C[NH2+]C(C)(C)C 166298694 344278479 /nfs/dbraw/zinc/27/84/79/344278479.db2.gz FEDGNUNOWINWAF-UHFFFAOYSA-N 0 0 193.294 2.011 10 0 AEAERN CC[C@@H]1CCN(c2ccnc(F)c2)C1 166491254 344283726 /nfs/dbraw/zinc/28/37/26/344283726.db2.gz LEXPVNNCDSSZMN-SECBINFHSA-N 0 0 194.253 2.457 10 0 AEAERN OCc1ccc(SC2CC2)cc1 166580009 344285214 /nfs/dbraw/zinc/28/52/14/344285214.db2.gz SEKYMPJERVHSEO-UHFFFAOYSA-N 0 0 180.272 2.433 10 0 AEAERN O=C1CCNCc2c(Cl)cccc21 166599973 344285406 /nfs/dbraw/zinc/28/54/06/344285406.db2.gz RFIWESAAEBRAIA-UHFFFAOYSA-N 0 0 195.649 2.016 10 0 AEAERN C[C@H]1C[C@@H]1CNc1cccc(N)c1 166740781 344288465 /nfs/dbraw/zinc/28/84/65/344288465.db2.gz NNUBVSOCBIIWSK-DTWKUNHWSA-N 0 0 176.263 2.337 10 0 AEAERN C/C(=C\C(N)=O)CCc1ccccc1 167012361 344295361 /nfs/dbraw/zinc/29/53/61/344295361.db2.gz DCDGHHIYHFPMAH-MDZDMXLPSA-N 0 0 189.258 2.051 10 0 AEAERN Cc1ccc2oc([C@H](C)NN)cc2c1 167122595 344297858 /nfs/dbraw/zinc/29/78/58/344297858.db2.gz RLLZZGODYHGCJE-QMMMGPOBSA-N 0 0 190.246 2.266 10 0 AEAERN C[C@H]1C[C@@H]1CNc1cccc(F)n1 167224454 344300153 /nfs/dbraw/zinc/30/01/53/344300153.db2.gz JGEVPKPSNUYEKQ-JGVFFNPUSA-N 0 0 180.226 2.289 10 0 AEAERN Cc1cn(C[C@H]2C[C@@H]2C)c(=S)[nH]1 167213555 344300156 /nfs/dbraw/zinc/30/01/56/344300156.db2.gz JUTUQOGCGHBOJU-POYBYMJQSA-N 0 0 182.292 2.136 10 0 AEAERN NN[C@H](c1ccco1)C1CCCCC1 167207286 344300158 /nfs/dbraw/zinc/30/01/58/344300158.db2.gz IXJIICWTHGPWAU-NSHDSACASA-N 0 0 194.278 2.364 10 0 AEAERN C[C@H]1C[C@H]1CNc1cccc(F)n1 167224658 344300161 /nfs/dbraw/zinc/30/01/61/344300161.db2.gz JGEVPKPSNUYEKQ-YUMQZZPRSA-N 0 0 180.226 2.289 10 0 AEAERN Cc1c[nH]c(=S)n1C[C@H]1C[C@H]1C 167212470 344300162 /nfs/dbraw/zinc/30/01/62/344300162.db2.gz QIKHWIVKFQAFEO-HTRCEHHLSA-N 0 0 182.292 2.136 10 0 AEAERN Cc1c[nH]c(=S)n1C[C@H]1C[C@@H]1C 167212267 344300163 /nfs/dbraw/zinc/30/01/63/344300163.db2.gz QIKHWIVKFQAFEO-POYBYMJQSA-N 0 0 182.292 2.136 10 0 AEAERN C[C@H]1C[C@@H]1CNc1ccnc(F)c1 167219676 344300172 /nfs/dbraw/zinc/30/01/72/344300172.db2.gz UMBFDKUWEBKRJV-JGVFFNPUSA-N 0 0 180.226 2.289 10 0 AEAERN C[C@]1(c2cncc(F)c2)CCC(=O)C1 166869704 344291126 /nfs/dbraw/zinc/29/11/26/344291126.db2.gz KMNRTRSFGMNADJ-NSHDSACASA-N 0 0 193.221 2.231 10 0 AEAERN C[C@@]1(c2cncc(F)c2)CCC(=O)C1 166869812 344291347 /nfs/dbraw/zinc/29/13/47/344291347.db2.gz KMNRTRSFGMNADJ-LLVKDONJSA-N 0 0 193.221 2.231 10 0 AEAERN C[C@@H]1CCC[C@]1(O)C1=CCCCO1 167463256 344305837 /nfs/dbraw/zinc/30/58/37/344305837.db2.gz AQXMKJOEHHAFRP-MWLCHTKSSA-N 0 0 182.263 2.232 10 0 AEAERN CO[C@H](C)C[C@H]1Cc2ccccc2N1 167591579 344308888 /nfs/dbraw/zinc/30/88/88/344308888.db2.gz LMNRVORZWGOLAP-KOLCDFICSA-N 0 0 191.274 2.448 10 0 AEAERN C[C@H]1CCO[C@@H]1C(=O)C1CCCC1 167747433 344313517 /nfs/dbraw/zinc/31/35/17/344313517.db2.gz HGPRMYSOGMYGGH-KWQFWETISA-N 0 0 182.263 2.171 10 0 AEAERN CC[C@H](C)[C@](C)(O)C1=CCCCO1 167432206 344304941 /nfs/dbraw/zinc/30/49/41/344304941.db2.gz HHHPUMQIRWNPAH-ONGXEEELSA-N 0 0 184.279 2.478 10 0 AEAERN CC[C@H](C)[C@@](C)(O)C1=CCCCO1 167432417 344304997 /nfs/dbraw/zinc/30/49/97/344304997.db2.gz HHHPUMQIRWNPAH-GXSJLCMTSA-N 0 0 184.279 2.478 10 0 AEAERN C[C@@H]1CCC[C@H]([C@H](O)C2=CCCO2)C1 168041390 344319536 /nfs/dbraw/zinc/31/95/36/344319536.db2.gz MKFMNHDZZBMTFN-SCVCMEIPSA-N 0 0 196.290 2.478 10 0 AEAERN Cc1cc(F)c(CO)cc1Cl 167904559 344316562 /nfs/dbraw/zinc/31/65/62/344316562.db2.gz ITBAVDGJEVHLJT-UHFFFAOYSA-N 0 0 174.602 2.280 10 0 AEAERN Cc1cc(C(=O)C2CC2)co1 168625476 344334116 /nfs/dbraw/zinc/33/41/16/344334116.db2.gz KKWRVDQRVUSBOI-UHFFFAOYSA-N 0 0 150.177 2.181 10 0 AEAERN O=Cc1ccc2oc(C=O)cc2c1 168665701 344334752 /nfs/dbraw/zinc/33/47/52/344334752.db2.gz CWHUCBQOJWVGEF-UHFFFAOYSA-N 0 0 174.155 2.058 10 0 AEAERN CC(=O)c1ccc(N)c(Cl)c1F 168795185 344337554 /nfs/dbraw/zinc/33/75/54/344337554.db2.gz MZRDAFLUJWXSRM-UHFFFAOYSA-N 0 0 187.601 2.264 10 0 AEAERN CCCN1CCc2cccc(N)c21 168385613 344329943 /nfs/dbraw/zinc/32/99/43/344329943.db2.gz DSEUOLPWYNICDO-UHFFFAOYSA-N 0 0 176.263 2.041 10 0 AEAERN CCCCc1cc(Cl)nc(N)n1 168401072 344330199 /nfs/dbraw/zinc/33/01/99/344330199.db2.gz IABJWPFMLBLYIS-UHFFFAOYSA-N 0 0 185.658 2.055 10 0 AEAERN C[C@H]1CCO[C@H]1C(=O)c1ccsc1 168427525 344330926 /nfs/dbraw/zinc/33/09/26/344330926.db2.gz XBYHPPHLUUHFIG-OIBJUYFYSA-N 0 0 196.271 2.356 10 0 AEAERN O=c1ccc2cc(Cl)c(F)cc2[nH]1 169144858 344347003 /nfs/dbraw/zinc/34/70/03/344347003.db2.gz LNLSHUSCSCKWCY-UHFFFAOYSA-N 0 0 197.596 2.321 10 0 AEAERN CCOC1CC(Nc2nccs2)C1 169212706 344348862 /nfs/dbraw/zinc/34/88/62/344348862.db2.gz DVWGHPBUSKIQAE-UHFFFAOYSA-N 0 0 198.291 2.123 10 0 AEAERN C/C=C/CCn1cccc1 168944505 344340941 /nfs/dbraw/zinc/34/09/41/344340941.db2.gz RRAHDPKQUZJNGX-NSCUHMNNSA-N 0 0 135.210 2.454 10 0 AEAERN Cc1ccc([C@@H]2NC[C@H](C)O[C@@H]2C)o1 169616815 344351268 /nfs/dbraw/zinc/35/12/68/344351268.db2.gz HXYAVPAYEXEPCU-IQJOONFLSA-N 0 0 195.262 2.026 10 0 AEAERN 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344498577 /nfs/dbraw/zinc/49/85/77/344498577.db2.gz ABIWRNRQFNTLBZ-NSHDSACASA-N 0 0 181.279 2.093 10 0 AEAERN Cc1ncnc(N[C@H](C)C2CC2)c1F 226315151 344498584 /nfs/dbraw/zinc/49/85/84/344498584.db2.gz PTLIFGLOMSRLMX-ZCFIWIBFSA-N 0 0 195.241 2.135 10 0 AEAERN Cc1ncnc(N[C@@H](C)C(C)C)c1F 226314413 344498591 /nfs/dbraw/zinc/49/85/91/344498591.db2.gz PQIYJQHGECYHHK-ZETCQYMHSA-N 0 0 197.257 2.381 10 0 AEAERN CCCCNc1ncnc(C)c1F 226313653 344498595 /nfs/dbraw/zinc/49/85/95/344498595.db2.gz ALAXFUBBFMQXPJ-UHFFFAOYSA-N 0 0 183.230 2.136 10 0 AEAERN CC[C@@H]1CCC[C@]12CCC(=O)NC2 226317690 344498597 /nfs/dbraw/zinc/49/85/97/344498597.db2.gz AKOATJNHLQVBNH-MWLCHTKSSA-N 0 0 181.279 2.093 10 0 AEAERN CC[C@@H]1CCC[C@@]12CCC(=O)NC2 226317680 344498598 /nfs/dbraw/zinc/49/85/98/344498598.db2.gz AKOATJNHLQVBNH-KOLCDFICSA-N 0 0 181.279 2.093 10 0 AEAERN CC[C@H]1CC[C@]2(CCC(=O)NC2)C1 226319736 344499023 /nfs/dbraw/zinc/49/90/23/344499023.db2.gz LCAIXQCTCZXPLC-ONGXEEELSA-N 0 0 181.279 2.093 10 0 AEAERN 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0 154.253 2.338 10 0 AEAERN CC(C)(C)C(=O)[C@H]1CCCCC[NH2+]1 226521661 344505685 /nfs/dbraw/zinc/50/56/85/344505685.db2.gz MKPIVKBMMARQJF-SECBINFHSA-N 0 0 183.295 2.134 10 0 AEAERN C[C@H]1CCC[C@@H]1c1cnc(CN)o1 226747470 344512312 /nfs/dbraw/zinc/51/23/12/344512312.db2.gz SDZMBDNMHATLIE-YUMQZZPRSA-N 0 0 180.251 2.037 10 0 AEAERN C[C@H]1CCC[C@H]1c1cnc(CN)o1 226747486 344512320 /nfs/dbraw/zinc/51/23/20/344512320.db2.gz SDZMBDNMHATLIE-JGVFFNPUSA-N 0 0 180.251 2.037 10 0 AEAERN CCC1(Nc2ncc(N)s2)CCC1 226752437 344512331 /nfs/dbraw/zinc/51/23/31/344512331.db2.gz JHJIYTQXQGJAPR-UHFFFAOYSA-N 0 0 197.307 2.470 10 0 AEAERN C[C@@H]1CCC[C@@H]1c1cnc(CN)o1 226747461 344512340 /nfs/dbraw/zinc/51/23/40/344512340.db2.gz SDZMBDNMHATLIE-SFYZADRCSA-N 0 0 180.251 2.037 10 0 AEAERN C[C@H](Nc1ncc(N)s1)C1CCC1 226752762 344512343 /nfs/dbraw/zinc/51/23/43/344512343.db2.gz FYBXSQQHGAKZCU-LURJTMIESA-N 0 0 197.307 2.326 10 0 AEAERN C[C@H]1CC[C@@H](Nc2ncc(N)s2)C1 226753439 344512345 /nfs/dbraw/zinc/51/23/45/344512345.db2.gz IGCPTIRDJJFTJU-NKWVEPMBSA-N 0 0 197.307 2.326 10 0 AEAERN C[C@@H]1CCC[C@H]1c1cnc(CN)o1 226747477 344512350 /nfs/dbraw/zinc/51/23/50/344512350.db2.gz SDZMBDNMHATLIE-HTQZYQBOSA-N 0 0 180.251 2.037 10 0 AEAERN C[C@@H]1CC[C@@H](Nc2ncc(N)s2)C1 226753432 344512372 /nfs/dbraw/zinc/51/23/72/344512372.db2.gz IGCPTIRDJJFTJU-RNFRBKRXSA-N 0 0 197.307 2.326 10 0 AEAERN CC1(Nc2ncc(N)s2)CCC1 226752365 344512373 /nfs/dbraw/zinc/51/23/73/344512373.db2.gz KZVYAFQWZFYEJJ-UHFFFAOYSA-N 0 0 183.280 2.080 10 0 AEAERN C[C@@H]1CC[C@H](Nc2ncc(N)s2)C1 226753444 344512374 /nfs/dbraw/zinc/51/23/74/344512374.db2.gz IGCPTIRDJJFTJU-RQJHMYQMSA-N 0 0 197.307 2.326 10 0 AEAERN C[C@H]1CCC[C@H]1c1cc(N)no1 226765116 344512832 /nfs/dbraw/zinc/51/28/32/344512832.db2.gz LYJBFNSKUIDWES-NKWVEPMBSA-N 0 0 166.224 2.160 10 0 AEAERN C[C@H]1CCC[C@@H]1c1ocnc1CO 226771328 344513298 /nfs/dbraw/zinc/51/32/98/344513298.db2.gz KCFAIHQXEQFOIS-YUMQZZPRSA-N 0 0 181.235 2.071 10 0 AEAERN CC(C)C(=O)c1cccc(F)c1N 226772565 344513300 /nfs/dbraw/zinc/51/33/00/344513300.db2.gz YIIRBVPTTMKZOK-UHFFFAOYSA-N 0 0 181.210 2.247 10 0 AEAERN Nc1ccc(C(=O)C2CCCC2)nc1 226816138 344514746 /nfs/dbraw/zinc/51/47/46/344514746.db2.gz VMRDZMWQPKHMGN-UHFFFAOYSA-N 0 0 190.246 2.037 10 0 AEAERN C[C@@H]1CCC[C@H]1[C@@H](NN)C(C)(C)C 226952429 344517799 /nfs/dbraw/zinc/51/77/99/344517799.db2.gz WIXWKFOLCBYGJS-OPRDCNLKSA-N 0 0 184.327 2.301 10 0 AEAERN CC1(CNC(=O)NC2CCC2)CCC1 226983740 344518806 /nfs/dbraw/zinc/51/88/06/344518806.db2.gz VIRJNNQXMKIRFD-UHFFFAOYSA-N 0 0 196.294 2.028 10 0 AEAERN CC[C@H]1C[C@H]1Nc1cccc(F)n1 227011810 344519146 /nfs/dbraw/zinc/51/91/46/344519146.db2.gz FDTGKJJFNDWTPT-JGVFFNPUSA-N 0 0 180.226 2.431 10 0 AEAERN CC[C@H]1C[C@@H]1Nc1ccccn1 227015091 344519921 /nfs/dbraw/zinc/51/99/21/344519921.db2.gz ZRXPMCSRADWXMO-IUCAKERBSA-N 0 0 162.236 2.292 10 0 AEAERN CC(C)[C@H](C)Nc1ncc(N)s1 226724519 344510787 /nfs/dbraw/zinc/51/07/87/344510787.db2.gz XTIPAHMBILNBDI-LURJTMIESA-N 0 0 185.296 2.182 10 0 AEAERN CCC(CC)Nc1ncc(N)s1 226722795 344510789 /nfs/dbraw/zinc/51/07/89/344510789.db2.gz SWWLTYSKMTVJTQ-UHFFFAOYSA-N 0 0 185.296 2.326 10 0 AEAERN Nc1cnc(NC2CCCCC2)s1 226722584 344510791 /nfs/dbraw/zinc/51/07/91/344510791.db2.gz QGNZFJHPTDCAIV-UHFFFAOYSA-N 0 0 197.307 2.470 10 0 AEAERN CC1(Nc2ncc(N)s2)CCCC1 226732303 344511301 /nfs/dbraw/zinc/51/13/01/344511301.db2.gz GKOQQKWNYBZQOW-UHFFFAOYSA-N 0 0 197.307 2.470 10 0 AEAERN CC1(C)CCCC[C@H]1c1n[nH]c(=O)o1 226743059 344511840 /nfs/dbraw/zinc/51/18/40/344511840.db2.gz WUUQBJUSVQQFDJ-ZETCQYMHSA-N 0 0 196.250 2.047 10 0 AEAERN C[C@H]1CCC[C@@H]1c1nc(N)ns1 226744559 344511876 /nfs/dbraw/zinc/51/18/76/344511876.db2.gz IWNJGLASBHSJJS-WDSKDSINSA-N 0 0 183.280 2.024 10 0 AEAERN C[C@@H]1C(=O)[C@@H]2Cc3ccccc3[C@H]12 227344986 344529363 /nfs/dbraw/zinc/52/93/63/344529363.db2.gz DLTYUPJHGBHKIS-XROYCOCOSA-N 0 0 172.227 2.161 10 0 AEAERN CC[C@@H]1C(=O)Nc2c(OC)cccc21 227104488 344522988 /nfs/dbraw/zinc/52/29/88/344522988.db2.gz VWCWAUNEZOAYKF-ZETCQYMHSA-N 0 0 191.230 2.141 10 0 AEAERN CC(C)C[C@H](O)[C@H]1C[C@@H]1C 227496094 344532265 /nfs/dbraw/zinc/53/22/65/344532265.db2.gz DKDBHQOMDCXABZ-CIUDSAMLSA-N 0 0 142.242 2.049 10 0 AEAERN NCC(F)(F)c1cccc(F)c1F 227563489 344535601 /nfs/dbraw/zinc/53/56/01/344535601.db2.gz VBHOXIKFCGNXDR-UHFFFAOYSA-N 0 0 193.143 2.015 10 0 AEAERN CCc1nc2c(OC)cccn2c1C 228023991 344556073 /nfs/dbraw/zinc/55/60/73/344556073.db2.gz YLSGAORLPQTIAJ-UHFFFAOYSA-N 0 0 190.246 2.214 10 0 AEAERN CC(C)N1C(=S)N=NC1[C@@H]1C[C@@H]1C 228205279 344559250 /nfs/dbraw/zinc/55/92/50/344559250.db2.gz ZUEQRXXSWOEFIR-NKWVEPMBSA-N 0 0 197.307 2.271 10 0 AEAERN C[C@@H]1C[C@H]1C1N=NC(=S)N1C1CC1 228208005 344559251 /nfs/dbraw/zinc/55/92/51/344559251.db2.gz PCEUEEPMQUMPRX-IYSWYEEDSA-N 0 0 195.291 2.025 10 0 AEAERN C[C@@H]1C[C@H]1Nc1nc(Cl)ccc1N 228444914 344561815 /nfs/dbraw/zinc/56/18/15/344561815.db2.gz UNAIPARAHCQLBZ-IYSWYEEDSA-N 0 0 197.669 2.138 10 0 AEAERN C[C@H](Nc1cccc(O)c1)C(F)F 228485938 344562461 /nfs/dbraw/zinc/56/24/61/344562461.db2.gz ACTKFTXCIIVVNH-LURJTMIESA-N 0 0 187.189 2.458 10 0 AEAERN C[C@@H](Nc1cccnc1)C(F)F 228477517 344562463 /nfs/dbraw/zinc/56/24/63/344562463.db2.gz ZWKNITKZLZKDGZ-ZCFIWIBFSA-N 0 0 172.178 2.147 10 0 AEAERN Cc1n[nH]c(C)c1N[C@@H](C)C(F)F 228488353 344562469 /nfs/dbraw/zinc/56/24/69/344562469.db2.gz NKGOXEPLJRHSKS-LURJTMIESA-N 0 0 189.209 2.092 10 0 AEAERN C[C@@H](NCc1ccccc1)C(F)F 228477706 344562474 /nfs/dbraw/zinc/56/24/74/344562474.db2.gz LFKVHQZFQUVALS-MRVPVSSYSA-N 0 0 185.217 2.430 10 0 AEAERN C[C@@H](Nc1cccc(O)c1)C(F)F 228485931 344562476 /nfs/dbraw/zinc/56/24/76/344562476.db2.gz ACTKFTXCIIVVNH-ZCFIWIBFSA-N 0 0 187.189 2.458 10 0 AEAERN C[C@H](Nc1cccnc1)C(F)F 228477525 344562544 /nfs/dbraw/zinc/56/25/44/344562544.db2.gz ZWKNITKZLZKDGZ-LURJTMIESA-N 0 0 172.178 2.147 10 0 AEAERN C[C@@H](C(=O)c1ccncc1F)C1CC1 228685452 344565968 /nfs/dbraw/zinc/56/59/68/344565968.db2.gz VBOHJHCUXCEIDT-SSDOTTSWSA-N 0 0 193.221 2.450 10 0 AEAERN Cc1cncc([C@H]2CCC(=O)[C@H]2C)c1 227968650 344553485 /nfs/dbraw/zinc/55/34/85/344553485.db2.gz NMIXUKZSMDNBKT-ONGXEEELSA-N 0 0 189.258 2.473 10 0 AEAERN Cc1cncc([C@@H]2CCCC2=O)c1 227965584 344553658 /nfs/dbraw/zinc/55/36/58/344553658.db2.gz CFZCBGHBMFMSFH-JTQLQIEISA-N 0 0 175.231 2.227 10 0 AEAERN Cc1cncc(C(C)(C)C[C@H](C)O)c1 227970519 344553685 /nfs/dbraw/zinc/55/36/85/344553685.db2.gz YIGHDAXVXKEKSA-JTQLQIEISA-N 0 0 193.290 2.439 10 0 AEAERN Cc1cncc([C@H]2CCCC[C@H]2O)c1 227965416 344553710 /nfs/dbraw/zinc/55/37/10/344553710.db2.gz DNRWUFAQLHJGEP-VXGBXAGGSA-N 0 0 191.274 2.409 10 0 AEAERN C[C@H](O)[C@H](C)[C@H]1C=CCCC1 228762968 344567844 /nfs/dbraw/zinc/56/78/44/344567844.db2.gz XZSHBHNVKXTFCT-GUBZILKMSA-N 0 0 154.253 2.360 10 0 AEAERN C[C@H](O)[C@@H](C)[C@H]1C=CCCC1 228762949 344567964 /nfs/dbraw/zinc/56/79/64/344567964.db2.gz XZSHBHNVKXTFCT-UTLUCORTSA-N 0 0 154.253 2.360 10 0 AEAERN O=Cc1ccc(-c2ccncc2F)o1 228786733 344568604 /nfs/dbraw/zinc/56/86/04/344568604.db2.gz ADJBIZZOBYIPEZ-UHFFFAOYSA-N 0 0 191.161 2.293 10 0 AEAERN CC1(Nc2ccc(N)nc2)CCC1 228830551 344569619 /nfs/dbraw/zinc/56/96/19/344569619.db2.gz YMWQYZWOPTXIGB-UHFFFAOYSA-N 0 0 177.251 2.018 10 0 AEAERN CC1(Nc2ccc(N)cn2)CCC1 228830563 344569719 /nfs/dbraw/zinc/56/97/19/344569719.db2.gz UXHMWWYXTXMQNF-UHFFFAOYSA-N 0 0 177.251 2.018 10 0 AEAERN CC1(Nc2ncccc2F)CC1 228885115 344573496 /nfs/dbraw/zinc/57/34/96/344573496.db2.gz MVWIHDVQIDEXOO-UHFFFAOYSA-N 0 0 166.199 2.185 10 0 AEAERN CCC1N=NC(=S)N1C1(C)CCC1 228892824 344574228 /nfs/dbraw/zinc/57/42/28/344574228.db2.gz YZKVECUBTBVYOW-UHFFFAOYSA-N 0 0 197.307 2.028 10 0 AEAERN Cc1ncc(NC2CCC2)nc1C 229058087 344580992 /nfs/dbraw/zinc/58/09/92/344580992.db2.gz CIKUDAFHWFEWMP-UHFFFAOYSA-N 0 0 177.251 2.058 10 0 AEAERN Cc1ncc(NC2(C)CC2)nc1C 229071570 344581462 /nfs/dbraw/zinc/58/14/62/344581462.db2.gz LSDNZWZUWYAQGU-UHFFFAOYSA-N 0 0 177.251 2.058 10 0 AEAERN C[C@@H](Nc1cn[nH]c1)c1cscn1 229113209 344582624 /nfs/dbraw/zinc/58/26/24/344582624.db2.gz YEKNIRGKEMQTRH-ZCFIWIBFSA-N 0 0 194.263 2.039 10 0 AEAERN C[C@@H]1C[C@H]1CNc1cnnc(Cl)c1 229119563 344582630 /nfs/dbraw/zinc/58/26/30/344582630.db2.gz IAWFTVALTBQKTB-RQJHMYQMSA-N 0 0 197.669 2.198 10 0 AEAERN CCSC[C@@](C)(O)C(C)C 229404440 344593815 /nfs/dbraw/zinc/59/38/15/344593815.db2.gz ROZPXAGZWOSAHI-MRVPVSSYSA-N 0 0 162.298 2.147 10 0 AEAERN C[C@@H](Nc1cn[nH]c1)c1cncs1 229113236 344582677 /nfs/dbraw/zinc/58/26/77/344582677.db2.gz FQUIUPHEVDSQFP-ZCFIWIBFSA-N 0 0 194.263 2.039 10 0 AEAERN C[C@H]1C[C@H]1CNc1cnnc(Cl)c1 229119574 344582681 /nfs/dbraw/zinc/58/26/81/344582681.db2.gz IAWFTVALTBQKTB-BQBZGAKWSA-N 0 0 197.669 2.198 10 0 AEAERN C[C@@H]1CCO[C@@H]1[C@@H]([NH3+])c1ccsc1 229393965 344593842 /nfs/dbraw/zinc/59/38/42/344593842.db2.gz GKVBSRYFVODASD-JEZHCXPESA-N 0 0 197.303 2.173 10 0 AEAERN CCSC[C@](C)(O)C(C)C 229404451 344593844 /nfs/dbraw/zinc/59/38/44/344593844.db2.gz ROZPXAGZWOSAHI-QMMMGPOBSA-N 0 0 162.298 2.147 10 0 AEAERN C[C@@H]1CCO[C@H]1[C@@H]([NH3+])c1ccsc1 229393979 344593699 /nfs/dbraw/zinc/59/36/99/344593699.db2.gz GKVBSRYFVODASD-FKTZTGRPSA-N 0 0 197.303 2.173 10 0 AEAERN C[C@@H]1CC[C@@H]([C@@H]([NH3+])c2ccsc2)O1 229390758 344593770 /nfs/dbraw/zinc/59/37/70/344593770.db2.gz APOOABYUWGBNEB-JEZHCXPESA-N 0 0 197.303 2.315 10 0 AEAERN CCC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 229101593 344582101 /nfs/dbraw/zinc/58/21/01/344582101.db2.gz DLJDNCCUSOFHPP-GHCJXIJMSA-N 0 0 170.252 2.025 10 0 AEAERN C[C@H](CO)C[C@@H]1CCC2(CCCC2)O1 229474033 344596713 /nfs/dbraw/zinc/59/67/13/344596713.db2.gz TYIOFDSNIWCSBR-QWRGUYRKSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@@H](CO)C[C@H]1CCC2(CCCC2)O1 229474046 344596720 /nfs/dbraw/zinc/59/67/20/344596720.db2.gz TYIOFDSNIWCSBR-GHMZBOCLSA-N 0 0 198.306 2.497 10 0 AEAERN CCC1(Nc2ccc(N)nc2)CCC1 229468071 344596731 /nfs/dbraw/zinc/59/67/31/344596731.db2.gz DWNKYYJCXWEIJY-UHFFFAOYSA-N 0 0 191.278 2.408 10 0 AEAERN CCC1(Nc2ccc(N)cn2)CCC1 229468037 344596765 /nfs/dbraw/zinc/59/67/65/344596765.db2.gz VQCCTLPBIRUAHL-UHFFFAOYSA-N 0 0 191.278 2.408 10 0 AEAERN C[C@H](CO)C[C@H]1CCC2(CCCC2)O1 229474057 344597439 /nfs/dbraw/zinc/59/74/39/344597439.db2.gz TYIOFDSNIWCSBR-WDEREUQCSA-N 0 0 198.306 2.497 10 0 AEAERN CCC(C)(C)[C@@H](O)C1CCOCC1 229506848 344598851 /nfs/dbraw/zinc/59/88/51/344598851.db2.gz RBJYKAXCKPEBDT-JTQLQIEISA-N 0 0 186.295 2.210 10 0 AEAERN CCC1(n2cc[nH]c2=S)CCC1 229514558 344599954 /nfs/dbraw/zinc/59/99/54/344599954.db2.gz CVNUEZXKXWSTEJ-UHFFFAOYSA-N 0 0 182.292 2.461 10 0 AEAERN Nc1cc(Cl)nc(NC2CCC2)c1 229538447 344601197 /nfs/dbraw/zinc/60/11/97/344601197.db2.gz BCMJHOMRDIOPMB-UHFFFAOYSA-N 0 0 197.669 2.282 10 0 AEAERN Nc1cc(F)cc(-n2cccc2)c1 229565103 344604904 /nfs/dbraw/zinc/60/49/04/344604904.db2.gz HEZQZBGVKVECAG-UHFFFAOYSA-N 0 0 176.194 2.199 10 0 AEAERN Cc1cc(-c2ccncc2N)ccn1 229579518 344606404 /nfs/dbraw/zinc/60/64/04/344606404.db2.gz KZHFGXRLVQRHKJ-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CC1(CNC(=O)NC(C)(C)C)CCC1 229591696 344607075 /nfs/dbraw/zinc/60/70/75/344607075.db2.gz FMVMYEDLFIMCJY-UHFFFAOYSA-N 0 0 198.310 2.274 10 0 AEAERN Cc1ccoc1[C@@H]1CC(=O)CCO1 229548655 344602113 /nfs/dbraw/zinc/60/21/13/344602113.db2.gz BMFPTKBNKCSWCV-VIFPVBQESA-N 0 0 180.203 2.009 10 0 AEAERN CC[C@@H]1CCC[C@@H]1n1nccc1N 229645879 344608745 /nfs/dbraw/zinc/60/87/45/344608745.db2.gz YYSAXSPHCXALDO-BDAKNGLRSA-N 0 0 179.267 2.217 10 0 AEAERN CC[C@H]1CCC[C@@]1(O)C(F)(F)F 229665135 344609605 /nfs/dbraw/zinc/60/96/05/344609605.db2.gz MNUJWZTYRBFDIQ-BQBZGAKWSA-N 0 0 182.185 2.490 10 0 AEAERN C[C@H](NN)C1CCCCCCC1 229661395 344609611 /nfs/dbraw/zinc/60/96/11/344609611.db2.gz ITPGKMSRADIBJV-VIFPVBQESA-N 0 0 170.300 2.199 10 0 AEAERN CC[C@@H]1CCC[C@@H]1Nc1cn[nH]c1 229622624 344607612 /nfs/dbraw/zinc/60/76/12/344607612.db2.gz SVSAYYVMGZLZNK-SCZZXKLOSA-N 0 0 179.267 2.400 10 0 AEAERN CC[C@H]1CCC[C@H]1Nc1cn[nH]c1 229622647 344607667 /nfs/dbraw/zinc/60/76/67/344607667.db2.gz SVSAYYVMGZLZNK-WCBMZHEXSA-N 0 0 179.267 2.400 10 0 AEAERN CC[C@H]1CCC[C@@H]1Nc1cn[nH]c1 229622630 344607712 /nfs/dbraw/zinc/60/77/12/344607712.db2.gz SVSAYYVMGZLZNK-WPRPVWTQSA-N 0 0 179.267 2.400 10 0 AEAERN CC[C@@H]1CCC[C@H]1Nc1cn[nH]c1 229622639 344607778 /nfs/dbraw/zinc/60/77/78/344607778.db2.gz SVSAYYVMGZLZNK-PSASIEDQSA-N 0 0 179.267 2.400 10 0 AEAERN CC[C@@H]1CCC[C@@]12CC(=O)CCO2 229668057 344610491 /nfs/dbraw/zinc/61/04/91/344610491.db2.gz POWDYYKLAFLICW-MWLCHTKSSA-N 0 0 182.263 2.315 10 0 AEAERN CC[C@H]1CCC[C@@]12CC(=O)CCO2 229668064 344610581 /nfs/dbraw/zinc/61/05/81/344610581.db2.gz POWDYYKLAFLICW-GXSJLCMTSA-N 0 0 182.263 2.315 10 0 AEAERN Cc1cnn([C@H](C)CC2CC2)c1N 229703729 344612281 /nfs/dbraw/zinc/61/22/81/344612281.db2.gz XZDZMNUZFPNZNF-MRVPVSSYSA-N 0 0 179.267 2.135 10 0 AEAERN C[C@@H](Nc1nccs1)c1cn[nH]c1 229730590 344613294 /nfs/dbraw/zinc/61/32/94/344613294.db2.gz CEJYXCMCEIAIQQ-ZCFIWIBFSA-N 0 0 194.263 2.039 10 0 AEAERN C[C@H]1CSC(NC2CCC2)=[NH+][C@@H]1C 229750353 344613886 /nfs/dbraw/zinc/61/38/86/344613886.db2.gz MOIBYCOEGXCIMM-JGVFFNPUSA-N 0 0 198.335 2.256 10 0 AEAERN C[C@@H]1[NH+]=C(NC2CCC2)SC[C@@H]1C 229750364 344614045 /nfs/dbraw/zinc/61/40/45/344614045.db2.gz MOIBYCOEGXCIMM-YUMQZZPRSA-N 0 0 198.335 2.256 10 0 AEAERN CC[C@H]1CCc2c(NC3CC3)n[nH]c21 229667028 344610133 /nfs/dbraw/zinc/61/01/33/344610133.db2.gz AOTRVPMPHVWWAB-ZETCQYMHSA-N 0 0 191.278 2.424 10 0 AEAERN CC[C@H]1CCC[C@@]1(N)C(F)(F)F 229667340 344610137 /nfs/dbraw/zinc/61/01/37/344610137.db2.gz FPCJONQBBYSANA-BQBZGAKWSA-N 0 0 181.201 2.456 10 0 AEAERN CC[C@@H]1CCc2c(NC3CC3)n[nH]c21 229667022 344610154 /nfs/dbraw/zinc/61/01/54/344610154.db2.gz AOTRVPMPHVWWAB-SSDOTTSWSA-N 0 0 191.278 2.424 10 0 AEAERN CC[C@H]1CCC[C@]1(N)C(F)(F)F 229667354 344610158 /nfs/dbraw/zinc/61/01/58/344610158.db2.gz FPCJONQBBYSANA-NKWVEPMBSA-N 0 0 181.201 2.456 10 0 AEAERN CCNc1n[nH]c2c1CC[C@@H]2CC 229666919 344610171 /nfs/dbraw/zinc/61/01/71/344610171.db2.gz SIVCJIXPWVRVOS-ZETCQYMHSA-N 0 0 179.267 2.281 10 0 AEAERN C[C@H]1NC(=O)C[C@@]1(C)CC1CCC1 229765273 344615059 /nfs/dbraw/zinc/61/50/59/344615059.db2.gz NRSVZGIRDUZVPT-LDYMZIIASA-N 0 0 181.279 2.091 10 0 AEAERN CC1(C)NC(=O)C[C@@]1(C)CC1CCC1 229765311 344615414 /nfs/dbraw/zinc/61/54/14/344615414.db2.gz VZMQUGWIGZRXAG-GFCCVEGCSA-N 0 0 195.306 2.481 10 0 AEAERN C[C@H]1NC(=O)C[C@]1(C)CC1CCC1 229765284 344615420 /nfs/dbraw/zinc/61/54/20/344615420.db2.gz NRSVZGIRDUZVPT-KCJUWKMLSA-N 0 0 181.279 2.091 10 0 AEAERN CSCc1cccc(N)c1F 229788580 344615893 /nfs/dbraw/zinc/61/58/93/344615893.db2.gz RSKWZIKDAZJKPL-UHFFFAOYSA-N 0 0 171.240 2.271 10 0 AEAERN CC(C)c1c(N)n[nH]c1[C@@H]1C[C@@H]1C 229823975 344617371 /nfs/dbraw/zinc/61/73/71/344617371.db2.gz JUXIEXCPGJELIL-NKWVEPMBSA-N 0 0 179.267 2.239 10 0 AEAERN Nc1cccc(COC2CCC2)c1F 229765040 344614957 /nfs/dbraw/zinc/61/49/57/344614957.db2.gz MPKKNBSSJYFFLY-UHFFFAOYSA-N 0 0 195.237 2.477 10 0 AEAERN N[C@H](c1cc(F)cc(F)c1)C(F)F 229942295 344620536 /nfs/dbraw/zinc/62/05/36/344620536.db2.gz KNSQGYFLXUONNB-SSDOTTSWSA-N 0 0 193.143 2.230 10 0 AEAERN CCCCn1ccc2cc[nH]c(=O)c21 230099023 344626278 /nfs/dbraw/zinc/62/62/78/344626278.db2.gz YGXQQBQZBBGDOU-UHFFFAOYSA-N 0 0 190.246 2.130 10 0 AEAERN CC[C@H](C)n1ccc2cc[nH]c(=O)c21 230098979 344626287 /nfs/dbraw/zinc/62/62/87/344626287.db2.gz OEOWVMYVWIZSET-QMMMGPOBSA-N 0 0 190.246 2.301 10 0 AEAERN CC[C@@H](C)n1ccc2cc[nH]c(=O)c21 230098972 344626289 /nfs/dbraw/zinc/62/62/89/344626289.db2.gz OEOWVMYVWIZSET-MRVPVSSYSA-N 0 0 190.246 2.301 10 0 AEAERN CCc1ccc2nc(C[NH3+])ccc2c1 230093465 344626318 /nfs/dbraw/zinc/62/63/18/344626318.db2.gz YEGVIEPAHLKDDW-UHFFFAOYSA-N 0 0 186.258 2.256 10 0 AEAERN Cc1ccc(C)c2nc(C[NH3+])ccc12 230093350 344626329 /nfs/dbraw/zinc/62/63/29/344626329.db2.gz SXUXZSHHHUUSJQ-UHFFFAOYSA-N 0 0 186.258 2.310 10 0 AEAERN CCc1cccc2ccc(C[NH3+])nc12 230093478 344626332 /nfs/dbraw/zinc/62/63/32/344626332.db2.gz SJKAPAZCSIHTMT-UHFFFAOYSA-N 0 0 186.258 2.256 10 0 AEAERN Cc1ccc(F)c2nc(C[NH3+])ccc12 230093473 344626338 /nfs/dbraw/zinc/62/63/38/344626338.db2.gz AYVVYVMXWQBPFL-UHFFFAOYSA-N 0 0 190.221 2.141 10 0 AEAERN Cc1c(F)ccc2ccc(C[NH3+])nc12 230093388 344626346 /nfs/dbraw/zinc/62/63/46/344626346.db2.gz OOBDCFCKQZZFRH-UHFFFAOYSA-N 0 0 190.221 2.141 10 0 AEAERN O[C@H]1C=C(C2CC2)CCCC1 230170528 344628133 /nfs/dbraw/zinc/62/81/33/344628133.db2.gz LTSGZGDEDBHAFU-SNVBAGLBSA-N 0 0 152.237 2.258 10 0 AEAERN Cc1cc(C)c2c(c1)C1(CC1)C(=O)N2 230278925 344630298 /nfs/dbraw/zinc/63/02/98/344630298.db2.gz FMIZVQOBJQRQPD-UHFFFAOYSA-N 0 0 187.242 2.287 10 0 AEAERN Cc1ccc(CON)c(Cl)c1 230279194 344630337 /nfs/dbraw/zinc/63/03/37/344630337.db2.gz FZWPVNWQHMNBGX-UHFFFAOYSA-N 0 0 171.627 2.039 10 0 AEAERN Cc1ccc(Cl)c2[nH]ccc(=O)c12 230279039 344630352 /nfs/dbraw/zinc/63/03/52/344630352.db2.gz UABMEYNSKUSWIQ-UHFFFAOYSA-N 0 0 193.633 2.490 10 0 AEAERN Cc1cc(C(F)(F)F)ccc1NN 230279304 344630402 /nfs/dbraw/zinc/63/04/02/344630402.db2.gz PMUCFKURHJFPHK-UHFFFAOYSA-N 0 0 190.168 2.299 10 0 AEAERN Cc1cn2nc(CC(C)C)sc2n1 230288038 344630822 /nfs/dbraw/zinc/63/08/22/344630822.db2.gz GPIVGFZDXSZQQN-UHFFFAOYSA-N 0 0 195.291 2.298 10 0 AEAERN O[C@@H]1C=C(C2CC2)CCCC1 230170524 344628149 /nfs/dbraw/zinc/62/81/49/344628149.db2.gz LTSGZGDEDBHAFU-JTQLQIEISA-N 0 0 152.237 2.258 10 0 AEAERN Cc1ccc(F)cc1O[C@H](C)[C@H](C)O 230415810 344635395 /nfs/dbraw/zinc/63/53/95/344635395.db2.gz ZXWHQSIMKUZESC-DTWKUNHWSA-N 0 0 198.237 2.282 10 0 AEAERN Cc1ccc(F)cc1O[C@@H](C)[C@H](C)O 230415807 344635460 /nfs/dbraw/zinc/63/54/60/344635460.db2.gz ZXWHQSIMKUZESC-IUCAKERBSA-N 0 0 198.237 2.282 10 0 AEAERN C[C@@H]1CC[C@H](CNc2ncns2)C1 230433546 344635954 /nfs/dbraw/zinc/63/59/54/344635954.db2.gz ZPEXRJSTQJETTK-SFYZADRCSA-N 0 0 197.307 2.386 10 0 AEAERN C[C@@H]1CC[C@H](CNc2nncs2)C1 230432606 344635980 /nfs/dbraw/zinc/63/59/80/344635980.db2.gz QJRJLFHYPXOMGT-SFYZADRCSA-N 0 0 197.307 2.386 10 0 AEAERN C[C@H]1CC[C@@H](CNc2cccnn2)C1 230432917 344635995 /nfs/dbraw/zinc/63/59/95/344635995.db2.gz PQRFJIZGTGPMFR-VHSXEESVSA-N 0 0 191.278 2.325 10 0 AEAERN C[C@H]1CC[C@H](CNc2ncns2)C1 230433549 344636198 /nfs/dbraw/zinc/63/61/98/344636198.db2.gz ZPEXRJSTQJETTK-YUMQZZPRSA-N 0 0 197.307 2.386 10 0 AEAERN CCOc1cc(OC)c(F)cc1F 230442708 344636493 /nfs/dbraw/zinc/63/64/93/344636493.db2.gz XPOLELLAELRSEM-UHFFFAOYSA-N 0 0 188.173 2.372 10 0 AEAERN CCC(C)(CC)Nc1nccc(N)n1 230974277 344646655 /nfs/dbraw/zinc/64/66/55/344646655.db2.gz PIRCJBHCPDJHKP-UHFFFAOYSA-N 0 0 194.282 2.049 10 0 AEAERN Cc1ccc(F)c2cc(O)cnc12 230982417 344646674 /nfs/dbraw/zinc/64/66/74/344646674.db2.gz GUVJQHASORDIFN-UHFFFAOYSA-N 0 0 177.178 2.388 10 0 AEAERN Oc1cnc2cc(F)c(F)c(F)c2c1 230982663 344646685 /nfs/dbraw/zinc/64/66/85/344646685.db2.gz GDIJROKSEINDNO-UHFFFAOYSA-N 0 0 199.131 2.358 10 0 AEAERN Cc1ccc(F)c2ncc(O)cc12 230982524 344646689 /nfs/dbraw/zinc/64/66/89/344646689.db2.gz CAWYWIOFNGSVRT-UHFFFAOYSA-N 0 0 177.178 2.388 10 0 AEAERN CCC(C)(CC)Nc1cnccn1 230964238 344646698 /nfs/dbraw/zinc/64/66/98/344646698.db2.gz QGGVTHBFWQIYQY-UHFFFAOYSA-N 0 0 179.267 2.467 10 0 AEAERN Cc1c(F)ccc2cc(O)cnc12 230982632 344646740 /nfs/dbraw/zinc/64/67/40/344646740.db2.gz BJGRFGIUODORCB-UHFFFAOYSA-N 0 0 177.178 2.388 10 0 AEAERN CC(C)[C@H]1CCC[C@@H](NO)C1 230996714 344647262 /nfs/dbraw/zinc/64/72/62/344647262.db2.gz PRLHYZWCILCHRZ-DTWKUNHWSA-N 0 0 157.257 2.180 10 0 AEAERN CC(C)[C@@H]1CCC[C@H](NO)C1 230996716 344647267 /nfs/dbraw/zinc/64/72/67/344647267.db2.gz PRLHYZWCILCHRZ-BDAKNGLRSA-N 0 0 157.257 2.180 10 0 AEAERN COC(=O)[C@@H](C)S[C@H](C)C(C)C 231192712 344649586 /nfs/dbraw/zinc/64/95/86/344649586.db2.gz IDMNYEXYYXGPAE-HTQZYQBOSA-N 0 0 190.308 2.326 10 0 AEAERN OC[C@@H]1CCCC[C@H]1n1cccc1 231373530 344652499 /nfs/dbraw/zinc/65/24/99/344652499.db2.gz AIWCEYWHYALTIN-WDEREUQCSA-N 0 0 179.263 2.212 10 0 AEAERN Nc1ccc(-c2c(N)cccc2N)cc1 231532188 344654274 /nfs/dbraw/zinc/65/42/74/344654274.db2.gz ZTCGOZQYJFCQKD-UHFFFAOYSA-N 0 0 199.257 2.100 10 0 AEAERN CC(C)[C@H]1CCC[C@@]2(CC(=O)N2)C1 231018064 344647822 /nfs/dbraw/zinc/64/78/22/344647822.db2.gz IYWBQHPAWCNQPT-ONGXEEELSA-N 0 0 181.279 2.091 10 0 AEAERN CC[C@@H]1C[C@@H]1Nc1nc(C)cnc1C 231037253 344647826 /nfs/dbraw/zinc/64/78/26/344647826.db2.gz XPIFUHHEWZRGAG-ZJUUUORDSA-N 0 0 191.278 2.304 10 0 AEAERN CC(C)[C@H]1CCC[C@]2(CC(=O)N2)C1 231018070 344647828 /nfs/dbraw/zinc/64/78/28/344647828.db2.gz IYWBQHPAWCNQPT-GXSJLCMTSA-N 0 0 181.279 2.091 10 0 AEAERN COCc1cn2c(n1)C[C@H](C)C[C@H]2C 231720465 344658080 /nfs/dbraw/zinc/65/80/80/344658080.db2.gz JEUOEYFCLYHJMI-RKDXNWHRSA-N 0 0 194.278 2.173 10 0 AEAERN COCc1csc([C@H]2C[C@H]2C)n1 231720721 344658166 /nfs/dbraw/zinc/65/81/66/344658166.db2.gz IRPMMDQZSMVSKP-SVRRBLITSA-N 0 0 183.276 2.413 10 0 AEAERN Cc1ccc(C(=O)[C@@H](C)O)cc1Cl 231984803 344668686 /nfs/dbraw/zinc/66/86/86/344668686.db2.gz CGZLUYORTDZQKV-SSDOTTSWSA-N 0 0 198.649 2.212 10 0 AEAERN Cc1ccc(C(=O)[C@H](C)O)cc1Cl 231984806 344668701 /nfs/dbraw/zinc/66/87/01/344668701.db2.gz CGZLUYORTDZQKV-ZETCQYMHSA-N 0 0 198.649 2.212 10 0 AEAERN C/C(=C/Cl)COc1cccnc1N 231994008 344669294 /nfs/dbraw/zinc/66/92/94/344669294.db2.gz IUIPJPWVUIUSJH-ALCCZGGFSA-N 0 0 198.653 2.185 10 0 AEAERN Cc1ccc(C2(F)CNC2)cc1Cl 231995324 344669308 /nfs/dbraw/zinc/66/93/08/344669308.db2.gz LVQPTGDKLAGOLT-UHFFFAOYSA-N 0 0 199.656 2.416 10 0 AEAERN CC[C@H]1CCCC[C@H]1n1cc[nH]c1=O 231937536 344665671 /nfs/dbraw/zinc/66/56/71/344665671.db2.gz QVAFXSJTJJPPFD-VHSXEESVSA-N 0 0 194.278 2.318 10 0 AEAERN CC[C@@H]1CCCC[C@@H]1n1cc[nH]c1=O 231937529 344665677 /nfs/dbraw/zinc/66/56/77/344665677.db2.gz QVAFXSJTJJPPFD-ZJUUUORDSA-N 0 0 194.278 2.318 10 0 AEAERN Nc1noc(CC2CCC2)c1Cl 232175399 344672825 /nfs/dbraw/zinc/67/28/25/344672825.db2.gz PUDWZDVQNOQHES-UHFFFAOYSA-N 0 0 186.642 2.253 10 0 AEAERN Clc1noc(CC2CCC2)n1 232170739 344672836 /nfs/dbraw/zinc/67/28/36/344672836.db2.gz YCBBZCRKVXACQP-UHFFFAOYSA-N 0 0 172.615 2.066 10 0 AEAERN Cc1ccc(Cl)c(NC[C@H](C)O)c1 232242860 344673312 /nfs/dbraw/zinc/67/33/12/344673312.db2.gz CVLNSDIJKTXSNR-QMMMGPOBSA-N 0 0 199.681 2.441 10 0 AEAERN CC1(C(=O)N2CCCO2)CCCCC1 232269728 344673325 /nfs/dbraw/zinc/67/33/25/344673325.db2.gz SEYGMWZTZVFRIJ-UHFFFAOYSA-N 0 0 197.278 2.121 10 0 AEAERN CCc1nnc(NC2CCC2)s1 232285082 344673737 /nfs/dbraw/zinc/67/37/37/344673737.db2.gz RGDYFBYZPAGRAZ-UHFFFAOYSA-N 0 0 183.280 2.065 10 0 AEAERN CC1(C)CCc2c1nc1scnn21 232280707 344673739 /nfs/dbraw/zinc/67/37/39/344673739.db2.gz SZAULJRRCGAECG-UHFFFAOYSA-N 0 0 193.275 2.015 10 0 AEAERN C[C@H]1CCCc2c1nc1scnn21 232280915 344673775 /nfs/dbraw/zinc/67/37/75/344673775.db2.gz LTAWWANFECJLIC-LURJTMIESA-N 0 0 193.275 2.231 10 0 AEAERN CC[C@@H](C)c1cn2ncsc2n1 232280908 344673780 /nfs/dbraw/zinc/67/37/80/344673780.db2.gz VBLRDBCTZGDGNH-ZCFIWIBFSA-N 0 0 181.264 2.304 10 0 AEAERN C[C@H]1CCC[C@@H]1Nc1cnns1 232290504 344674292 /nfs/dbraw/zinc/67/42/92/344674292.db2.gz GCVMYXUBMOMLOO-BQBZGAKWSA-N 0 0 183.280 2.139 10 0 AEAERN C/C(=C\Cl)C[C@H]1COCCC1=O 232007268 344669724 /nfs/dbraw/zinc/66/97/24/344669724.db2.gz OOKXZFCNAORYJQ-IVGLGHLBSA-N 0 0 188.654 2.125 10 0 AEAERN CC(=O)c1sc(NC2CC2)cc1N 232489061 344680096 /nfs/dbraw/zinc/68/00/96/344680096.db2.gz PEJYZYVHJSINFE-UHFFFAOYSA-N 0 0 196.275 2.107 10 0 AEAERN CC(C)(C1CC1)n1cnnc1Cl 232519468 344680783 /nfs/dbraw/zinc/68/07/83/344680783.db2.gz GBTPQKWUQMOPSD-UHFFFAOYSA-N 0 0 185.658 2.077 10 0 AEAERN CC(C)C1CC(Nc2cn[nH]c2)C1 232541777 344681975 /nfs/dbraw/zinc/68/19/75/344681975.db2.gz RORPDYVPOBBHQC-UHFFFAOYSA-N 0 0 179.267 2.256 10 0 AEAERN CC(C)(O)C(=O)C1CCCCCC1 232554016 344681976 /nfs/dbraw/zinc/68/19/76/344681976.db2.gz YYRRCHHHGDXYSY-UHFFFAOYSA-N 0 0 184.279 2.297 10 0 AEAERN CC(C)C1CC(n2nccc2N)C1 232543021 344681995 /nfs/dbraw/zinc/68/19/95/344681995.db2.gz AGFJFNLULSXXKZ-UHFFFAOYSA-N 0 0 179.267 2.072 10 0 AEAERN CC(C)C1CC(O)(C2CC2)C1 232541915 344682003 /nfs/dbraw/zinc/68/20/03/344682003.db2.gz ZWFRGPNUCSIPLM-UHFFFAOYSA-N 0 0 154.253 2.194 10 0 AEAERN CC(C)C1CC(O)(C2=CCCO2)C1 232541907 344682027 /nfs/dbraw/zinc/68/20/27/344682027.db2.gz JVRJIVOMQPOTKC-UHFFFAOYSA-N 0 0 182.263 2.088 10 0 AEAERN CCC[C@@H](C)Nc1cnns1 232290986 344674294 /nfs/dbraw/zinc/67/42/94/344674294.db2.gz SCQHRIOYXFTNMG-ZCFIWIBFSA-N 0 0 171.269 2.139 10 0 AEAERN CCCOc1ccc2c(c1)CC[C@@H]2O 232417878 344676304 /nfs/dbraw/zinc/67/63/04/344676304.db2.gz VCIMXWQKAQIXLH-LBPRGKRZSA-N 0 0 192.258 2.455 10 0 AEAERN c1cc2n(n1)[C@@H]1CCCC[C@H]1CN2 232565361 344683355 /nfs/dbraw/zinc/68/33/55/344683355.db2.gz DVMXCVVVICTVNE-DTWKUNHWSA-N 0 0 177.251 2.040 10 0 AEAERN CC(C)=C[C@@](C)(O)c1cncc(F)c1 232564593 344683375 /nfs/dbraw/zinc/68/33/75/344683375.db2.gz VASWRCUTPTWEHK-LLVKDONJSA-N 0 0 195.237 2.394 10 0 AEAERN CC(C)=C[C@](C)(O)c1cccnc1 232570737 344683746 /nfs/dbraw/zinc/68/37/46/344683746.db2.gz COIGTAIGDRTTML-NSHDSACASA-N 0 0 177.247 2.255 10 0 AEAERN Cc1noc(N[C@H](C)CC(C)C)n1 232600818 344685207 /nfs/dbraw/zinc/68/52/07/344685207.db2.gz LZFFTSOPKLNIMO-SSDOTTSWSA-N 0 0 183.255 2.225 10 0 AEAERN CC(C)N(C)c1cc(N)cc(Cl)n1 232630826 344686257 /nfs/dbraw/zinc/68/62/57/344686257.db2.gz GEBREVCAUSSLHN-UHFFFAOYSA-N 0 0 199.685 2.162 10 0 AEAERN Cc1c(CC(C)C)nc[nH]c1=S 232624910 344686282 /nfs/dbraw/zinc/68/62/82/344686282.db2.gz IINPVHRFHOVIPK-UHFFFAOYSA-N 0 0 182.292 2.272 10 0 AEAERN CC(C)C[C@H](O)C1(O)CCCCC1 232628651 344686290 /nfs/dbraw/zinc/68/62/90/344686290.db2.gz YDTLJXDFEDFJCK-JTQLQIEISA-N 0 0 186.295 2.089 10 0 AEAERN CC(C)Nc1cc(N)cc(Cl)n1 232670507 344687546 /nfs/dbraw/zinc/68/75/46/344687546.db2.gz ASIONTDIQNSLCY-UHFFFAOYSA-N 0 0 185.658 2.138 10 0 AEAERN CC(C)c1[nH]c(=S)ncc1F 232740582 344688921 /nfs/dbraw/zinc/68/89/21/344688921.db2.gz ARFNUYVYKRVJOV-UHFFFAOYSA-N 0 0 172.228 2.028 10 0 AEAERN Cc1nc(C)c([C@@H](O)C(C)C)s1 232764940 344689396 /nfs/dbraw/zinc/68/93/96/344689396.db2.gz UJTWMECSMLHFDL-QMMMGPOBSA-N 0 0 185.292 2.449 10 0 AEAERN CC(C)[C@H](O)C1(O)CCCCCC1 232760749 344689571 /nfs/dbraw/zinc/68/95/71/344689571.db2.gz KLOVVHWMJFZZJO-JTQLQIEISA-N 0 0 186.295 2.089 10 0 AEAERN Cc1ccc([C@@H](O)[C@@H](O)C(C)C)cc1 232759860 344689674 /nfs/dbraw/zinc/68/96/74/344689674.db2.gz PRUXERQMBOGBPE-NWDGAFQWSA-N 0 0 194.274 2.045 10 0 AEAERN CC(=O)CS[C@@H](C)C(C)C 232767597 344689676 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344724113 /nfs/dbraw/zinc/72/41/13/344724113.db2.gz ZDUZXRLFGHBURL-UHFFFAOYSA-N 0 0 197.259 2.197 10 0 AEAERN CO[C@@H]1CCCC[C@@]1(O)CC1CC1 234746393 344726165 /nfs/dbraw/zinc/72/61/65/344726165.db2.gz LANFEYWMTZPMAW-GHMZBOCLSA-N 0 0 184.279 2.107 10 0 AEAERN CO[C@H]1CCCC[C@@H]1C(=O)C(C)C 234765173 344726627 /nfs/dbraw/zinc/72/66/27/344726627.db2.gz CQNQCJOZFCGCPZ-UWVGGRQHSA-N 0 0 184.279 2.417 10 0 AEAERN CO[C@@H]1CCC[C@@](O)(C(C)(C)C)C1 234758808 344726669 /nfs/dbraw/zinc/72/66/69/344726669.db2.gz MYHHYPWJVIXPJK-KOLCDFICSA-N 0 0 186.295 2.353 10 0 AEAERN COCc1ccc2c(c1)NCCC2 234760993 344726687 /nfs/dbraw/zinc/72/66/87/344726687.db2.gz PBCHTOIYIHDCNY-UHFFFAOYSA-N 0 0 177.247 2.191 10 0 AEAERN COC1CC(O)([C@@H]2CCC[C@@H](C)C2)C1 234796918 344727919 /nfs/dbraw/zinc/72/79/19/344727919.db2.gz PYNIVZQWAHOUAC-QYNFOATHSA-N 0 0 198.306 2.353 10 0 AEAERN CO[C@H]1CCCC[C@@]1(O)C1CCCC1 234809636 344728334 /nfs/dbraw/zinc/72/83/34/344728334.db2.gz CGGIRSUZAPDPGN-NWDGAFQWSA-N 0 0 198.306 2.497 10 0 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344752175 /nfs/dbraw/zinc/75/21/75/344752175.db2.gz FXOMPKJRNMGYSK-ZETCQYMHSA-N 0 0 184.670 2.173 10 0 AEAERN Cc1noc(N[C@@H](C)C(C)(C)C)n1 235551549 344754614 /nfs/dbraw/zinc/75/46/14/344754614.db2.gz RGDLMHCHKWKJJF-LURJTMIESA-N 0 0 183.255 2.225 10 0 AEAERN Cc1cc(S[C@@H](C)[C@H](C)O)ccn1 235609552 344759740 /nfs/dbraw/zinc/75/97/40/344759740.db2.gz FPMFXXLWNVECRI-IUCAKERBSA-N 0 0 197.303 2.251 10 0 AEAERN C[C@H]1CC(C)(C)c2sc(=NN)[nH]c21 235629362 344760487 /nfs/dbraw/zinc/76/04/87/344760487.db2.gz WUJRLVNKICHYBZ-YFKPBYRVSA-N 0 0 197.307 2.214 10 0 AEAERN C[C@H]1CCC[C@H](Cn2cc[nH]c2=O)C1 235663581 344762158 /nfs/dbraw/zinc/76/21/58/344762158.db2.gz HFCVVPNGRPUTQJ-UWVGGRQHSA-N 0 0 194.278 2.003 10 0 AEAERN C[C@]1(c2cccc(F)c2F)C[C@H]1CO 235720335 344764279 /nfs/dbraw/zinc/76/42/79/344764279.db2.gz DBRZYIHIYVDRRI-CPCISQLKSA-N 0 0 198.212 2.235 10 0 AEAERN Cc1c(N)nsc1N1CCCCC1 235744154 344765303 /nfs/dbraw/zinc/76/53/03/344765303.db2.gz NSCVBJIPDXTXLW-UHFFFAOYSA-N 0 0 197.307 2.024 10 0 AEAERN Cc1c(N)nsc1N[C@H]1CC1(C)C 235758610 344765642 /nfs/dbraw/zinc/76/56/42/344765642.db2.gz DMVRXDSOQNTZCH-LURJTMIESA-N 0 0 197.307 2.244 10 0 AEAERN Cc1ccc([C@H](O)C(C)(C)O)cc1C 235756586 344765644 /nfs/dbraw/zinc/76/56/44/344765644.db2.gz CXJTXOCWNLZEJF-NSHDSACASA-N 0 0 194.274 2.108 10 0 AEAERN Cc1c(-c2ccoc2Cl)noc1N 235760716 344765669 /nfs/dbraw/zinc/76/56/69/344765669.db2.gz GSRPVTIIAFHMNS-UHFFFAOYSA-N 0 0 198.609 2.479 10 0 AEAERN Cc1c(-c2ccc(Cl)o2)noc1N 235760287 344765677 /nfs/dbraw/zinc/76/56/77/344765677.db2.gz GELIPBWTFKTADU-UHFFFAOYSA-N 0 0 198.609 2.479 10 0 AEAERN Cc1cc([C@H](O)C(C)(C)C)ccn1 235757336 344765682 /nfs/dbraw/zinc/76/56/82/344765682.db2.gz WCZFKWUHDZKVKU-JTQLQIEISA-N 0 0 179.263 2.470 10 0 AEAERN Cc1c([C@@H]2CC2(C)C)noc1N 235759531 344765690 /nfs/dbraw/zinc/76/56/90/344765690.db2.gz XKKQJSVVFRSEPB-LURJTMIESA-N 0 0 166.224 2.079 10 0 AEAERN Cc1ccc(F)c(C(=O)C(C)(C)O)c1 235752729 344765705 /nfs/dbraw/zinc/76/57/05/344765705.db2.gz UCYZOZZSSURNQU-UHFFFAOYSA-N 0 0 196.221 2.088 10 0 AEAERN Cc1cc(C)c(CCCO)c(F)c1 235753425 344765707 /nfs/dbraw/zinc/76/57/07/344765707.db2.gz PIMKOCKRVRMVFR-UHFFFAOYSA-N 0 0 182.238 2.367 10 0 AEAERN Cc1c([C@H]2CC2(C)C)noc1N 235759644 344765724 /nfs/dbraw/zinc/76/57/24/344765724.db2.gz XKKQJSVVFRSEPB-ZCFIWIBFSA-N 0 0 166.224 2.079 10 0 AEAERN Cc1cc(Cl)ccc1[C@H]1CC(=O)N1 235777638 344765965 /nfs/dbraw/zinc/76/59/65/344765965.db2.gz VPFXRFLWFORDOH-SECBINFHSA-N 0 0 195.649 2.209 10 0 AEAERN Cc1ccc(F)c2c(N)nccc12 235769314 344765967 /nfs/dbraw/zinc/76/59/67/344765967.db2.gz OBNJAACNGWPNSI-UHFFFAOYSA-N 0 0 176.194 2.265 10 0 AEAERN Cc1cccc2nc[nH]c(=S)c12 235776886 344765970 /nfs/dbraw/zinc/76/59/70/344765970.db2.gz MRELNDLQOOAYQX-UHFFFAOYSA-N 0 0 176.244 2.227 10 0 AEAERN Cc1ccc(F)cc1C(=O)C(C)(C)O 235770076 344765976 /nfs/dbraw/zinc/76/59/76/344765976.db2.gz CGXYBJGCFOSRIQ-UHFFFAOYSA-N 0 0 196.221 2.088 10 0 AEAERN Cc1c(N)n[nH]c1-c1ccoc1Cl 235765122 344765978 /nfs/dbraw/zinc/76/59/78/344765978.db2.gz YRBKKJPIERMBLB-UHFFFAOYSA-N 0 0 197.625 2.214 10 0 AEAERN Cc1ccc(F)c2ccnc(N)c12 235769513 344766042 /nfs/dbraw/zinc/76/60/42/344766042.db2.gz MTKQXTAZCGEXSN-UHFFFAOYSA-N 0 0 176.194 2.265 10 0 AEAERN Cc1ccoc1-c1nccc(=S)[nH]1 235777256 344766073 /nfs/dbraw/zinc/76/60/73/344766073.db2.gz LTDVEIJSTBTFGL-UHFFFAOYSA-N 0 0 192.243 2.334 10 0 AEAERN Cc1cccc2c(=S)[nH]cnc12 235769099 344766077 /nfs/dbraw/zinc/76/60/77/344766077.db2.gz UJCXDFMQDUGRKE-UHFFFAOYSA-N 0 0 176.244 2.227 10 0 AEAERN Cc1ccc(C)c([C@H](O)C(C)(C)O)c1 235772814 344766088 /nfs/dbraw/zinc/76/60/88/344766088.db2.gz LVWYVYQPLXTVNX-NSHDSACASA-N 0 0 194.274 2.108 10 0 AEAERN Cc1ccc(C)c([C@@H](O)C(C)(C)O)c1 235771434 344766090 /nfs/dbraw/zinc/76/60/90/344766090.db2.gz LVWYVYQPLXTVNX-LLVKDONJSA-N 0 0 194.274 2.108 10 0 AEAERN Cc1ccc(F)c2c(=S)[nH]cnc12 235769436 344766092 /nfs/dbraw/zinc/76/60/92/344766092.db2.gz CWVKWNIVHBUIBK-UHFFFAOYSA-N 0 0 194.234 2.366 10 0 AEAERN Cc1c(N)n[nH]c1-c1ccc(Cl)o1 235764723 344766095 /nfs/dbraw/zinc/76/60/95/344766095.db2.gz CLAJOFNHTFQXJI-UHFFFAOYSA-N 0 0 197.625 2.214 10 0 AEAERN Cc1ccc(F)c2nc[nH]c(=S)c12 235769784 344766098 /nfs/dbraw/zinc/76/60/98/344766098.db2.gz WUSQKSZXKIWFCB-UHFFFAOYSA-N 0 0 194.234 2.366 10 0 AEAERN Cc1cccc(NCC(F)F)c1N 235782495 344766465 /nfs/dbraw/zinc/76/64/65/344766465.db2.gz AIXIDNXQTCNRQV-UHFFFAOYSA-N 0 0 186.205 2.254 10 0 AEAERN Cc1cc(=S)[nH]c(C(C)(C)C)n1 235791610 344766608 /nfs/dbraw/zinc/76/66/08/344766608.db2.gz SJERBGNNRKMIPC-UHFFFAOYSA-N 0 0 182.292 2.371 10 0 AEAERN Cc1nc(C(C)(C)C)cc(=S)[nH]1 235795584 344766834 /nfs/dbraw/zinc/76/68/34/344766834.db2.gz TYKYPDQIHNYBPE-UHFFFAOYSA-N 0 0 182.292 2.371 10 0 AEAERN Cc1ccccc1Cc1nc(O)c[nH]1 235788328 344766853 /nfs/dbraw/zinc/76/68/53/344766853.db2.gz YOIZVLHYNNSGTK-UHFFFAOYSA-N 0 0 188.230 2.015 10 0 AEAERN Cc1c[nH]c(=S)nc1-c1ccc[nH]1 235788275 344766854 /nfs/dbraw/zinc/76/68/54/344766854.db2.gz XFLVQOCXVZQXIJ-UHFFFAOYSA-N 0 0 191.259 2.069 10 0 AEAERN Cc1ccc(F)cc1[C@@H]1C[C@H]1CO 235790719 344766857 /nfs/dbraw/zinc/76/68/57/344766857.db2.gz PQLMZZGWUMWWLZ-GZMMTYOYSA-N 0 0 180.222 2.230 10 0 AEAERN Cc1cc2c(cc1F)NC(=O)CS2 235843421 344768898 /nfs/dbraw/zinc/76/88/98/344768898.db2.gz FDQZOQIYHYBPLW-UHFFFAOYSA-N 0 0 197.234 2.178 10 0 AEAERN Cc1cc(-c2ccco2)nc(=S)[nH]1 235866988 344769312 /nfs/dbraw/zinc/76/93/12/344769312.db2.gz JWLAQTIGOJASNM-UHFFFAOYSA-N 0 0 192.243 2.334 10 0 AEAERN Cc1cc(-c2cccc(=O)[nH]2)cs1 235864644 344769316 /nfs/dbraw/zinc/76/93/16/344769316.db2.gz ZHRJVGGYLMETSI-UHFFFAOYSA-N 0 0 191.255 2.412 10 0 AEAERN Cc1cc(-c2csc(N)n2)ccn1 235870537 344769320 /nfs/dbraw/zinc/76/93/20/344769320.db2.gz HBBPPQPSMYEOTE-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1c[nH]c(-c2ncccc2Cl)n1 235858619 344769326 /nfs/dbraw/zinc/76/93/26/344769326.db2.gz KNSAQNSHCIFWFP-UHFFFAOYSA-N 0 0 193.637 2.434 10 0 AEAERN Cc1cc2c(=S)[nH]cnc2cc1F 235869659 344769337 /nfs/dbraw/zinc/76/93/37/344769337.db2.gz IQHKRDZFBXJCOC-UHFFFAOYSA-N 0 0 194.234 2.366 10 0 AEAERN Cc1cc(-c2ccoc2)nc(=S)[nH]1 235867557 344769339 /nfs/dbraw/zinc/76/93/39/344769339.db2.gz VYUHYNVGPLBIFE-UHFFFAOYSA-N 0 0 192.243 2.334 10 0 AEAERN Cc1cc(NC2CC2)ccc1O 235851205 344769340 /nfs/dbraw/zinc/76/93/40/344769340.db2.gz BAYMYQWFIMFOTR-UHFFFAOYSA-N 0 0 163.220 2.275 10 0 AEAERN Cc1cnnc(NCc2ccccc2)c1 235922741 344769591 /nfs/dbraw/zinc/76/95/91/344769591.db2.gz LTNGLHFDNLVPLN-UHFFFAOYSA-N 0 0 199.257 2.397 10 0 AEAERN Cc1cccc2c1NCC1(CC1)N2 235913626 344769652 /nfs/dbraw/zinc/76/96/52/344769652.db2.gz VAMXHVYBFUMNRP-UHFFFAOYSA-N 0 0 174.247 2.365 10 0 AEAERN Cc1cnc(-c2ccco2)c(N)c1 235926114 344769656 /nfs/dbraw/zinc/76/96/56/344769656.db2.gz MEKLRAIZQZHXCU-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1ccc(-c2nc(O)c[nH]2)cc1 235913742 344769690 /nfs/dbraw/zinc/76/96/90/344769690.db2.gz JSEABEQYPRLDKF-UHFFFAOYSA-N 0 0 174.203 2.091 10 0 AEAERN Cc1cc(F)c2[nH]c(=O)ccc2c1F 235927961 344770042 /nfs/dbraw/zinc/77/00/42/344770042.db2.gz AAMAUOZJJCEGQE-UHFFFAOYSA-N 0 0 195.168 2.115 10 0 AEAERN Cc1nc(-c2c(C)cccc2C)n[nH]1 235931605 344770052 /nfs/dbraw/zinc/77/00/52/344770052.db2.gz OHUURIQYGDDVPS-UHFFFAOYSA-N 0 0 187.246 2.397 10 0 AEAERN Cc1cccc(NCC2CC2)c1N 235932782 344770056 /nfs/dbraw/zinc/77/00/56/344770056.db2.gz KXMGDZFEOSXZMH-UHFFFAOYSA-N 0 0 176.263 2.399 10 0 AEAERN Cc1coc(S[C@@H]2CCC(=O)C2)n1 235940596 344770066 /nfs/dbraw/zinc/77/00/66/344770066.db2.gz LLWHGPAJAGHOAP-MRVPVSSYSA-N 0 0 197.259 2.197 10 0 AEAERN Cc1coc(S[C@@H]2CCCC2=O)n1 235940682 344770100 /nfs/dbraw/zinc/77/01/00/344770100.db2.gz GKEPZVQKJYIFGH-MRVPVSSYSA-N 0 0 197.259 2.197 10 0 AEAERN Cc1nc([C@H]2CC2(C)C)nc(N)c1F 235937240 344770112 /nfs/dbraw/zinc/77/01/12/344770112.db2.gz NLHDRLVIIHDARB-ZCFIWIBFSA-N 0 0 195.241 2.020 10 0 AEAERN Cc1nnc(-c2ccoc2Cl)[nH]1 235932278 344770120 /nfs/dbraw/zinc/77/01/20/344770120.db2.gz QELUOGWVKILHDO-UHFFFAOYSA-N 0 0 183.598 2.027 10 0 AEAERN Cc1coc(S[C@H]2CCC(=O)C2)n1 235941900 344770489 /nfs/dbraw/zinc/77/04/89/344770489.db2.gz LLWHGPAJAGHOAP-QMMMGPOBSA-N 0 0 197.259 2.197 10 0 AEAERN Cc1ncc(C(=O)c2ccoc2)s1 235949154 344770491 /nfs/dbraw/zinc/77/04/91/344770491.db2.gz BZYSOBISKXAOMD-UHFFFAOYSA-N 0 0 193.227 2.276 10 0 AEAERN Cc1cn(CC2(C)CC2)c(=S)[nH]1 235943297 344770492 /nfs/dbraw/zinc/77/04/92/344770492.db2.gz NNNCINNNHLHRBW-UHFFFAOYSA-N 0 0 182.292 2.280 10 0 AEAERN Cc1coc(S[C@H]2CCCC2=O)n1 235941963 344770505 /nfs/dbraw/zinc/77/05/05/344770505.db2.gz GKEPZVQKJYIFGH-QMMMGPOBSA-N 0 0 197.259 2.197 10 0 AEAERN Cc1cnnc(NC2(C)CCC2)c1 235974287 344771157 /nfs/dbraw/zinc/77/11/57/344771157.db2.gz FWMKGVGCYQMHQP-UHFFFAOYSA-N 0 0 177.251 2.140 10 0 AEAERN O=C(c1ccc[nH]1)c1ccc(Cl)o1 236046849 344771822 /nfs/dbraw/zinc/77/18/22/344771822.db2.gz OOAMAGLQPLFJQN-UHFFFAOYSA-N 0 0 195.605 2.492 10 0 AEAERN Clc1ccncc1NC1CC1 236046843 344771825 /nfs/dbraw/zinc/77/18/25/344771825.db2.gz SDCCASUMJNSWPM-UHFFFAOYSA-N 0 0 168.627 2.309 10 0 AEAERN Cc1ncc([C@@H](NN)C(C)(C)C)s1 235837955 344768547 /nfs/dbraw/zinc/76/85/47/344768547.db2.gz RGVKMVWCJDYXPU-MRVPVSSYSA-N 0 0 199.323 2.002 10 0 AEAERN Cc1[nH]c(Cc2cccs2)nc1O 235832273 344768551 /nfs/dbraw/zinc/76/85/51/344768551.db2.gz ORRREBMAIJTICN-UHFFFAOYSA-N 0 0 194.259 2.076 10 0 AEAERN Cc1cc(C(=O)c2ccco2)ccn1 235832955 344768561 /nfs/dbraw/zinc/76/85/61/344768561.db2.gz BNQQYPSMYPWDCZ-UHFFFAOYSA-N 0 0 187.198 2.214 10 0 AEAERN Cn1cnc([C@H](O)C2CCCCC2)c1 236103633 344774003 /nfs/dbraw/zinc/77/40/03/344774003.db2.gz SFENQXHWQSGOJX-LLVKDONJSA-N 0 0 194.278 2.034 10 0 AEAERN Cn1cc(-c2cc(=S)cc[nH]2)cn1 236099729 344774147 /nfs/dbraw/zinc/77/41/47/344774147.db2.gz VXYRIWYQCFMVDN-UHFFFAOYSA-N 0 0 191.259 2.145 10 0 AEAERN O=C(c1c[nH]c2ncccc12)C(F)F 236146424 344775286 /nfs/dbraw/zinc/77/52/86/344775286.db2.gz RRRYNEXDXLVMGT-UHFFFAOYSA-N 0 0 196.156 2.011 10 0 AEAERN O=C(c1cnc2cc[nH]cc1-2)C(F)F 236146391 344775319 /nfs/dbraw/zinc/77/53/19/344775319.db2.gz QMSLYZOSAUMYRF-UHFFFAOYSA-N 0 0 196.156 2.011 10 0 AEAERN Fc1c[nH]c(=S)nc1-c1ccoc1 236148315 344775578 /nfs/dbraw/zinc/77/55/78/344775578.db2.gz KIUMRNVNERJYRP-UHFFFAOYSA-N 0 0 196.206 2.164 10 0 AEAERN Fc1cccc2c(=S)[nH]cnc12 236180172 344776659 /nfs/dbraw/zinc/77/66/59/344776659.db2.gz DLPFJGPAUONPDV-UHFFFAOYSA-N 0 0 180.207 2.058 10 0 AEAERN Fc1ccc(C2=NC(=S)OC2)nc1 236177453 344776661 /nfs/dbraw/zinc/77/66/61/344776661.db2.gz JJNKAODCEABAIT-UHFFFAOYSA-N 0 0 196.206 2.164 10 0 AEAERN NCC(F)(F)c1csc(Cl)c1 236190016 344776981 /nfs/dbraw/zinc/77/69/81/344776981.db2.gz WKTODXSLRQQWLM-UHFFFAOYSA-N 0 0 197.637 2.452 10 0 AEAERN Fc1cc(F)c2c(c1)C1(CC1)CN2 236194977 344777500 /nfs/dbraw/zinc/77/75/00/344777500.db2.gz VVIMODFFTBZAQN-UHFFFAOYSA-N 0 0 181.185 2.422 10 0 AEAERN [NH3+]Cc1ccc(-c2ccc[nH]2)s1 236221217 344777744 /nfs/dbraw/zinc/77/77/44/344777744.db2.gz QNTWAQBGHFQVQZ-UHFFFAOYSA-N 0 0 178.260 2.202 10 0 AEAERN Fc1cc(Sc2ncc[nH]2)ccn1 236216101 344777794 /nfs/dbraw/zinc/77/77/94/344777794.db2.gz PCQOYZIFAGEYNB-UHFFFAOYSA-N 0 0 195.222 2.095 10 0 AEAERN Fc1cccc(Sc2ncc[nH]2)n1 236233821 344778145 /nfs/dbraw/zinc/77/81/45/344778145.db2.gz LVIXHVQBMYDGKE-UHFFFAOYSA-N 0 0 195.222 2.095 10 0 AEAERN C=Cc1cc(F)ccc1C=O 236197200 344777385 /nfs/dbraw/zinc/77/73/85/344777385.db2.gz JYYYJXSBKDNRTQ-UHFFFAOYSA-N 0 0 150.152 2.281 10 0 AEAERN O[C@@H](C1CCC1)[C@H](O)C1CCCCC1 236534337 344787904 /nfs/dbraw/zinc/78/79/04/344787904.db2.gz WETBYAYZFRGYSQ-NEPJUHHUSA-N 0 0 198.306 2.089 10 0 AEAERN O[C@@H]1CCc2c(F)cc(F)c(F)c21 236539938 344788371 /nfs/dbraw/zinc/78/83/71/344788371.db2.gz NKPNORCEFOYUHJ-SSDOTTSWSA-N 0 0 188.148 2.084 10 0 AEAERN S=c1[nH]c(C2CC2)nc2c1CCC2 236565675 344789172 /nfs/dbraw/zinc/78/91/72/344789172.db2.gz XIBREPWNJBYKDR-UHFFFAOYSA-N 0 0 192.287 2.131 10 0 AEAERN O[C@H](CC1CCCC1)C1(O)CCCC1 236559358 344789185 /nfs/dbraw/zinc/78/91/85/344789185.db2.gz UHQKXZIXJBXGQC-LLVKDONJSA-N 0 0 198.306 2.233 10 0 AEAERN O[C@H](c1ccoc1)C1(O)CCCCC1 236583920 344789656 /nfs/dbraw/zinc/78/96/56/344789656.db2.gz WWYJCYVAUXVGBJ-SNVBAGLBSA-N 0 0 196.246 2.008 10 0 AEAERN S=c1ccc(-c2ccoc2)n[nH]1 236695763 344790963 /nfs/dbraw/zinc/79/09/63/344790963.db2.gz HJJRYXMWAPAHJR-UHFFFAOYSA-N 0 0 178.216 2.025 10 0 AEAERN S=c1cccc(-c2ccc[nH]2)[nH]1 236707018 344791013 /nfs/dbraw/zinc/79/10/13/344791013.db2.gz RXVMZBSGPALUSV-UHFFFAOYSA-N 0 0 176.244 2.365 10 0 AEAERN S=c1cc(-c2cccs2)nc[nH]1 236652380 344791069 /nfs/dbraw/zinc/79/10/69/344791069.db2.gz CAHXUUGSLMILRD-UHFFFAOYSA-N 0 0 194.284 2.494 10 0 AEAERN COC(=O)c1c(F)ccc(F)c1C 238326741 344800882 /nfs/dbraw/zinc/80/08/82/344800882.db2.gz PXXSHBIXNMGJCR-UHFFFAOYSA-N 0 0 186.157 2.060 10 0 AEAERN COCOc1cc(C)c(C=O)cc1C 238357413 344802744 /nfs/dbraw/zinc/80/27/44/344802744.db2.gz UWZDVFWACIUNIQ-UHFFFAOYSA-N 0 0 194.230 2.099 10 0 AEAERN CNc1cc(C2CC2)nc(Cl)n1 238365592 344803585 /nfs/dbraw/zinc/80/35/85/344803585.db2.gz PFPPBGVRRQGAOC-UHFFFAOYSA-N 0 0 183.642 2.049 10 0 AEAERN CCNc1nc(Cl)nc2cc[nH]c12 238257897 344797218 /nfs/dbraw/zinc/79/72/18/344797218.db2.gz WROZMYGXRJIUKA-UHFFFAOYSA-N 0 0 196.641 2.043 10 0 AEAERN CCOC(=O)c1cnc(C)c(Cl)c1 238271793 344798099 /nfs/dbraw/zinc/79/80/99/344798099.db2.gz KXQPGKVSELHGKP-UHFFFAOYSA-N 0 0 199.637 2.220 10 0 AEAERN CCOC(=O)c1ncc(Cl)cc1C 238282787 344798629 /nfs/dbraw/zinc/79/86/29/344798629.db2.gz IRBIQYOIURHOLX-UHFFFAOYSA-N 0 0 199.637 2.220 10 0 AEAERN CCc1nccnc1NCC(C)C 238287561 344799124 /nfs/dbraw/zinc/79/91/24/344799124.db2.gz HWOBKVMCRVHDRL-UHFFFAOYSA-N 0 0 179.267 2.107 10 0 AEAERN CC(=O)N[C@@H](C)CCc1ccc(C)o1 238374720 344803849 /nfs/dbraw/zinc/80/38/49/344803849.db2.gz NAEOQYUCSGSSOY-QMMMGPOBSA-N 0 0 195.262 2.045 10 0 AEAERN COc1nc(Cl)c2ccccc2n1 238377211 344803855 /nfs/dbraw/zinc/80/38/55/344803855.db2.gz VPDPDMSWNHDXPW-UHFFFAOYSA-N 0 0 194.621 2.292 10 0 AEAERN COc1ccccc1[C@H]1CCC1=O 238374608 344803856 /nfs/dbraw/zinc/80/38/56/344803856.db2.gz QPCMLSFVAIZZRY-MRVPVSSYSA-N 0 0 176.215 2.142 10 0 AEAERN COc1cccc(F)c1OC(F)F 238375374 344803871 /nfs/dbraw/zinc/80/38/71/344803871.db2.gz SPRGHWYENRXHPK-UHFFFAOYSA-N 0 0 192.136 2.436 10 0 AEAERN C[C@@H](CO)Sc1ccsc1 238377273 344803899 /nfs/dbraw/zinc/80/38/99/344803899.db2.gz SFZMDILCAMMSCA-LURJTMIESA-N 0 0 174.290 2.221 10 0 AEAERN COc1cc(N)ccc1C(F)F 238378240 344803904 /nfs/dbraw/zinc/80/39/04/344803904.db2.gz FPYXAYKLYCUKLM-UHFFFAOYSA-N 0 0 173.162 2.215 10 0 AEAERN COc1cccc(OC(F)F)c1F 238383616 344804230 /nfs/dbraw/zinc/80/42/30/344804230.db2.gz MEKSSTUNVFIMOI-UHFFFAOYSA-N 0 0 192.136 2.436 10 0 AEAERN C[C@@H](F)[C@@H](O)c1ccccc1 238381758 344804237 /nfs/dbraw/zinc/80/42/37/344804237.db2.gz CDPUTKJXAMQBKX-VXNVDRBHSA-N 0 0 154.184 2.078 10 0 AEAERN COc1cccc(O)c1OC(F)F 238382068 344804238 /nfs/dbraw/zinc/80/42/38/344804238.db2.gz DDSRYKQKTIVBQJ-UHFFFAOYSA-N 0 0 190.145 2.002 10 0 AEAERN Cc1c(C)c(O)c([C@@H](C)O)c(C)c1O 238381554 344804321 /nfs/dbraw/zinc/80/43/21/344804321.db2.gz WXZWMYBQHJFERA-MRVPVSSYSA-N 0 0 196.246 2.076 10 0 AEAERN C=C=C(Cc1ccccc1)[C@@H](C)O 238421501 344806116 /nfs/dbraw/zinc/80/61/16/344806116.db2.gz CEEKGUHOYLDPSQ-SNVBAGLBSA-N 0 0 174.243 2.321 10 0 AEAERN CC(=O)NC[C@H](C)c1ccc(C)cc1 238420482 344806204 /nfs/dbraw/zinc/80/62/04/344806204.db2.gz RNERRMRHZASZOL-JTQLQIEISA-N 0 0 191.274 2.235 10 0 AEAERN C[C@H](F)[C@@H](O)c1ccccc1 238449602 344807203 /nfs/dbraw/zinc/80/72/03/344807203.db2.gz CDPUTKJXAMQBKX-IONNQARKSA-N 0 0 154.184 2.078 10 0 AEAERN C[C@@H]1[C@@H]2CCCCC[C@@H](O)[C@H]21 238448434 344807219 /nfs/dbraw/zinc/80/72/19/344807219.db2.gz TTYAIHXKSQBGDJ-RGOKHQFPSA-N 0 0 154.253 2.194 10 0 AEAERN C[C@](O)(c1ccccc1)c1ccc[nH]1 238452210 344807587 /nfs/dbraw/zinc/80/75/87/344807587.db2.gz MOVIXNCPKXWOBB-LBPRGKRZSA-N 0 0 187.242 2.271 10 0 AEAERN Cc1cccc2nc(C[NH3+])sc12 238459067 344807591 /nfs/dbraw/zinc/80/75/91/344807591.db2.gz YULAIRYMGQNMSO-UHFFFAOYSA-N 0 0 178.260 2.063 10 0 AEAERN Cc1nccc(F)c1OC(F)(F)F 238490531 344808958 /nfs/dbraw/zinc/80/89/58/344808958.db2.gz JAZUYEYTEBWJJG-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1c(F)cncc1OC(F)(F)F 238497270 344809718 /nfs/dbraw/zinc/80/97/18/344809718.db2.gz AILPXLMVFNUDFY-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1cc(Cl)cc(F)c1O 238502646 344809729 /nfs/dbraw/zinc/80/97/29/344809729.db2.gz GBIQPSWMSDVIBH-UHFFFAOYSA-N 0 0 160.575 2.493 10 0 AEAERN Clc1ncccc1-c1cncnc1 238524807 344810753 /nfs/dbraw/zinc/81/07/53/344810753.db2.gz QCYVITRSPMVVGO-UHFFFAOYSA-N 0 0 191.621 2.192 10 0 AEAERN FC(F)Oc1cncc(C(F)F)n1 238532016 344811117 /nfs/dbraw/zinc/81/11/17/344811117.db2.gz XHQJCJGZESMLJS-UHFFFAOYSA-N 0 0 196.103 2.016 10 0 AEAERN NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 238542394 344812126 /nfs/dbraw/zinc/81/21/26/344812126.db2.gz QJNHRKFUPJBGQE-GHMZBOCLSA-N 0 0 189.258 2.056 10 0 AEAERN O=C1CC[C@H]1c1ccccc1F 238565333 344813323 /nfs/dbraw/zinc/81/33/23/344813323.db2.gz WTYYZOAIIYIGJJ-QMMMGPOBSA-N 0 0 164.179 2.272 10 0 AEAERN N[C@@H](CF)c1c(F)cc(F)cc1F 238571786 344813330 /nfs/dbraw/zinc/81/33/30/344813330.db2.gz SDPZPAQUIUATBF-ZETCQYMHSA-N 0 0 193.143 2.073 10 0 AEAERN Cc1ncc(C(F)(F)F)cc1C=O 238576369 344813939 /nfs/dbraw/zinc/81/39/39/344813939.db2.gz VOKZPVNKWNOQFC-UHFFFAOYSA-N 0 0 189.136 2.221 10 0 AEAERN [NH3+][C@H](c1sccc1F)C1CC1 238582278 344814329 /nfs/dbraw/zinc/81/43/29/344814329.db2.gz LZPBYZUYWVXSPK-ZETCQYMHSA-N 0 0 171.240 2.297 10 0 AEAERN Cc1c(F)ccnc1OC(F)(F)F 238496063 344809357 /nfs/dbraw/zinc/80/93/57/344809357.db2.gz UUCJEVJFJRKHKC-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1nccc(OC(F)(F)F)c1F 238491700 344809358 /nfs/dbraw/zinc/80/93/58/344809358.db2.gz JSTNLCKEYQAOLK-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1ccccc1[C@@H]1NC(=O)C1(C)C 238491651 344809365 /nfs/dbraw/zinc/80/93/65/344809365.db2.gz DPAYQGBUADIABX-JTQLQIEISA-N 0 0 189.258 2.192 10 0 AEAERN O=C1CC[C@@H](c2cccnc2F)C1 238602767 344815295 /nfs/dbraw/zinc/81/52/95/344815295.db2.gz QYXOHKQRHZUJSR-SSDOTTSWSA-N 0 0 179.194 2.057 10 0 AEAERN Fc1cc(F)c(OC(F)(F)F)cn1 238600664 344815309 /nfs/dbraw/zinc/81/53/09/344815309.db2.gz FQPQDVMNIWXCNO-UHFFFAOYSA-N 0 0 199.078 2.258 10 0 AEAERN O=C1CC[C@H](c2cccnc2F)C1 238603045 344815315 /nfs/dbraw/zinc/81/53/15/344815315.db2.gz QYXOHKQRHZUJSR-ZETCQYMHSA-N 0 0 179.194 2.057 10 0 AEAERN Fc1cc(OC(F)(F)F)c(F)cn1 238611038 344815704 /nfs/dbraw/zinc/81/57/04/344815704.db2.gz VKFAQMSJNKMJKA-UHFFFAOYSA-N 0 0 199.078 2.258 10 0 AEAERN Fc1cc(F)c2nc(Cl)[nH]c2c1 238633636 344816687 /nfs/dbraw/zinc/81/66/87/344816687.db2.gz IJIPANRQAMAEJR-UHFFFAOYSA-N 0 0 188.564 2.495 10 0 AEAERN O=c1[nH]ccc2c1oc1ccccc12 238634674 344816695 /nfs/dbraw/zinc/81/66/95/344816695.db2.gz GIYWIAYUOJMJGZ-UHFFFAOYSA-N 0 0 185.182 2.274 10 0 AEAERN FC(F)c1ncc(Cl)cn1 238638635 344816702 /nfs/dbraw/zinc/81/67/02/344816702.db2.gz GITOOSOAXZOQHN-UHFFFAOYSA-N 0 0 164.542 2.068 10 0 AEAERN OCCC/C=C/[C@@H](O)c1ccccc1 238641715 344816710 /nfs/dbraw/zinc/81/67/10/344816710.db2.gz GMCBRSPESQLBII-BIPYJSMBSA-N 0 0 192.258 2.049 10 0 AEAERN Fc1ccc(F)c(OC(F)(F)F)n1 238639265 344816761 /nfs/dbraw/zinc/81/67/61/344816761.db2.gz WHOWXIWRGFCELZ-UHFFFAOYSA-N 0 0 199.078 2.258 10 0 AEAERN OCC[C@@H]1C=CCCCC1 238673012 344818073 /nfs/dbraw/zinc/81/80/73/344818073.db2.gz AVLRANDJYILAQK-SECBINFHSA-N 0 0 140.226 2.115 10 0 AEAERN NNc1cccc(C(F)(F)F)c1F 238581851 344814390 /nfs/dbraw/zinc/81/43/90/344814390.db2.gz ZIYFDUJNMDGSHE-UHFFFAOYSA-N 0 0 194.131 2.130 10 0 AEAERN FCc1cccc(OC(F)(F)F)n1 238693388 344819197 /nfs/dbraw/zinc/81/91/97/344819197.db2.gz YGCGSUDYFNFQKA-UHFFFAOYSA-N 0 0 195.115 2.450 10 0 AEAERN c1ccc2c(c1)[nH]c1snnc12 238679631 344818626 /nfs/dbraw/zinc/81/86/26/344818626.db2.gz CKQVKMZZLWVVEG-UHFFFAOYSA-N 0 0 175.216 2.173 10 0 AEAERN N[C@H](CF)c1c(F)cc(F)cc1F 238683345 344818643 /nfs/dbraw/zinc/81/86/43/344818643.db2.gz SDPZPAQUIUATBF-SSDOTTSWSA-N 0 0 193.143 2.073 10 0 AEAERN Nc1cc(Cl)nc2ccc(O)cc12 238678275 344818688 /nfs/dbraw/zinc/81/86/88/344818688.db2.gz NFHYMGKCJGLLGK-UHFFFAOYSA-N 0 0 194.621 2.176 10 0 AEAERN [NH3+][C@H](CF)c1cccc2[nH]ccc12 238685564 344818993 /nfs/dbraw/zinc/81/89/93/344818993.db2.gz JINOCKXUOBLDBK-SECBINFHSA-N 0 0 178.210 2.137 10 0 AEAERN [NH3+][C@H](CF)c1cccc(F)c1Cl 238685428 344819004 /nfs/dbraw/zinc/81/90/04/344819004.db2.gz REUXREONLXDJCZ-SSDOTTSWSA-N 0 0 191.608 2.448 10 0 AEAERN [NH3+][C@H](CF)c1ccc2cc[nH]c2c1 238685859 344819065 /nfs/dbraw/zinc/81/90/65/344819065.db2.gz OQXHJWKWLDYQGW-SECBINFHSA-N 0 0 178.210 2.137 10 0 AEAERN OCc1ncoc1[C@@H]1[C@H]2CCCC[C@H]21 250167096 344830542 /nfs/dbraw/zinc/83/05/42/344830542.db2.gz KFBHSJZZLXEYEX-MBTKJCJQSA-N 0 0 193.246 2.071 10 0 AEAERN CCOC[C@]1(O)C[C@@H](C)C[C@@H](C)C1 250468954 344834593 /nfs/dbraw/zinc/83/45/93/344834593.db2.gz CEIJRVOPASSLSU-JGPRNRPPSA-N 0 0 186.295 2.210 10 0 AEAERN CCOC[C@]1(O)CC[C@H](C)C[C@H]1C 250488585 344834638 /nfs/dbraw/zinc/83/46/38/344834638.db2.gz HPCPVNFCWYHZHL-HBNTYKKESA-N 0 0 186.295 2.210 10 0 AEAERN CCOC[C@]1(O)C[C@@H](C)CC[C@H]1C 250580889 344836614 /nfs/dbraw/zinc/83/66/14/344836614.db2.gz YHVYRDYSXUKVLN-HBNTYKKESA-N 0 0 186.295 2.210 10 0 AEAERN Nc1cc([C@@H]2[C@H]3CCCC[C@H]32)on1 250786504 344841084 /nfs/dbraw/zinc/84/10/84/344841084.db2.gz VOQMFPTVFLSPNU-MTBHXBHISA-N 0 0 178.235 2.160 10 0 AEAERN Nc1nnc([C@@H]2[C@H]3CCCC[C@H]32)s1 250833577 344841931 /nfs/dbraw/zinc/84/19/31/344841931.db2.gz JZLBDNFSKCZIHR-ZMONIFLSSA-N 0 0 195.291 2.024 10 0 AEAERN Nc1nsc([C@@H]2[C@H]3CCCC[C@H]32)n1 250878929 344842925 /nfs/dbraw/zinc/84/29/25/344842925.db2.gz UXBLAWNJRXSCRI-ZMONIFLSSA-N 0 0 195.291 2.024 10 0 AEAERN Cc1nc([C@@H]2[C@H]3CCCC[C@H]32)n[nH]1 250895447 344843331 /nfs/dbraw/zinc/84/33/31/344843331.db2.gz HYQMWMNBCOVWQH-BRPSZJMVSA-N 0 0 177.251 2.017 10 0 AEAERN CCC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1C 251262008 344850929 /nfs/dbraw/zinc/85/09/29/344850929.db2.gz YNYJBIHOTWWNHZ-NXEZZACHSA-N 0 0 183.295 2.086 10 0 AEAERN CC(C)[C@@]1(CO)C[C@@H]2C[C@@H]2C1 251282474 344851481 /nfs/dbraw/zinc/85/14/81/344851481.db2.gz DQCUBISPOCQQMC-ILWJIGKKSA-N 0 0 154.253 2.051 10 0 AEAERN CCC[C@@H](O)[C@H]1C[C@H](C)O[C@H](C)C1 251291092 344851488 /nfs/dbraw/zinc/85/14/88/344851488.db2.gz HNNPTRMCIYMGAJ-LMLFDSFASA-N 0 0 186.295 2.351 10 0 AEAERN O[C@@H]1CCCC[C@@H]1C[C@H]1CCCO1 251278375 344851509 /nfs/dbraw/zinc/85/15/09/344851509.db2.gz MLOYNPALXOLLOC-GMTAPVOTSA-N 0 0 184.279 2.107 10 0 AEAERN CCC[C@H](O)[C@H]1C[C@H](C)O[C@H](C)C1 251291093 344851516 /nfs/dbraw/zinc/85/15/16/344851516.db2.gz HNNPTRMCIYMGAJ-VLEAKVRGSA-N 0 0 186.295 2.351 10 0 AEAERN CC(C)C[C@@]1(CO)C[C@@H]2C[C@@H]2C1 251391186 344853323 /nfs/dbraw/zinc/85/33/23/344853323.db2.gz JWGNVMNYAKEGBV-URLYPYJESA-N 0 0 168.280 2.441 10 0 AEAERN CC[C@@H]1C(=O)[C@@H]2CCCC[C@H]12 251748054 344870730 /nfs/dbraw/zinc/87/07/30/344870730.db2.gz UJWADZNKSDBJKZ-DJLDLDEBSA-N 0 0 152.237 2.402 10 0 AEAERN C[C@@H]1[C@@H](Nc2cccnn2)CC[C@H]1C 251784103 344873203 /nfs/dbraw/zinc/87/32/03/344873203.db2.gz FQNFYRWWNDJHPX-UTLUCORTSA-N 0 0 191.278 2.323 10 0 AEAERN C[C@@H]1[C@@H](N2CN=NC2=S)CC[C@H]1C 252151620 344888257 /nfs/dbraw/zinc/88/82/57/344888257.db2.gz OREJWMGOVBKRIH-CSMHCCOUSA-N 0 0 197.307 2.174 10 0 AEAERN C[C@H]1C[C@](O)(C2CCCC2)C[C@@H](C)O1 252163270 344889110 /nfs/dbraw/zinc/88/91/10/344889110.db2.gz QCZGUQFCSZJKST-IAZYJMLFSA-N 0 0 198.306 2.495 10 0 AEAERN C[C@@H]1[C@@H](Nc2nncs2)CC[C@H]1C 252184113 344890748 /nfs/dbraw/zinc/89/07/48/344890748.db2.gz UASBVYCWNYWBNY-CSMHCCOUSA-N 0 0 197.307 2.385 10 0 AEAERN Cc1c([C@H]2C[C@@H]3C[C@@H]3C2)noc1N 252476081 344899413 /nfs/dbraw/zinc/89/94/13/344899413.db2.gz CEBXNEVRVXLKEM-RNLVFQAGSA-N 0 0 178.235 2.079 10 0 AEAERN C[C@H]1C[C@@H](C)C[C@H](O)[C@H]1OC1CCC1 252474171 344899418 /nfs/dbraw/zinc/89/94/18/344899418.db2.gz ZLCDKRCAQYDIFI-QCZKYFFMSA-N 0 0 198.306 2.351 10 0 AEAERN Cc1cncc([C@]2(O)[C@H]3CCC[C@H]32)c1 252573704 344902276 /nfs/dbraw/zinc/90/22/76/344902276.db2.gz FDUOZEVDPBSIOO-ZSBIGDGJSA-N 0 0 189.258 2.008 10 0 AEAERN O[C@]1(c2ccoc2)[C@H]2CCCC[C@H]21 252572147 344902353 /nfs/dbraw/zinc/90/23/53/344902353.db2.gz CIWRLFUJAKMZQU-URLYPYJESA-N 0 0 178.231 2.287 10 0 AEAERN O[C@]1(c2ccncc2)[C@H]2CCCC[C@H]21 252581284 344903104 /nfs/dbraw/zinc/90/31/04/344903104.db2.gz SJQQOXPHJAVRGN-GDNZZTSVSA-N 0 0 189.258 2.089 10 0 AEAERN C[C@H]1C[C@@H](C)C[C@H]([C@H](NN)C2CC2)C1 253002875 344924376 /nfs/dbraw/zinc/92/43/76/344924376.db2.gz UUZAZNBXXYBVRS-LLHIFLOGSA-N 0 0 196.338 2.301 10 0 AEAERN CC[C@@H]1CCCC[C@H]1[C@H]1CCNC1=O 252864547 344916468 /nfs/dbraw/zinc/91/64/68/344916468.db2.gz QAAYBNJPIQCVHO-GMTAPVOTSA-N 0 0 195.306 2.339 10 0 AEAERN CC[C@@H]1CCCC[C@@H]1[C@H]1CCNC1=O 252864548 344916611 /nfs/dbraw/zinc/91/66/11/344916611.db2.gz QAAYBNJPIQCVHO-OUAUKWLOSA-N 0 0 195.306 2.339 10 0 AEAERN C[C@H]1CC[C@H](Nc2ccncn2)CC1 253136579 344928340 /nfs/dbraw/zinc/92/83/40/344928340.db2.gz SLUKOJFPJRJCDO-MGCOHNPYSA-N 0 0 191.278 2.467 10 0 AEAERN Clc1nnc([C@@H]2[C@H]3CCC[C@H]32)o1 253142946 344928353 /nfs/dbraw/zinc/92/83/53/344928353.db2.gz YAPPHDFMKBBZPA-FMCRUOTFSA-N 0 0 184.626 2.237 10 0 AEAERN CCO[C@]1([C@H](C)O)CCC[C@H](C)C1 253141788 344928359 /nfs/dbraw/zinc/92/83/59/344928359.db2.gz HYSJTOGEQOKQJB-GARJFASQSA-N 0 0 186.295 2.353 10 0 AEAERN Clc1nnc([C@H]2C[C@@H]3C[C@@H]3C2)o1 253142418 344928360 /nfs/dbraw/zinc/92/83/60/344928360.db2.gz XRFVZDCNKJOGHD-FPFOFBBKSA-N 0 0 184.626 2.237 10 0 AEAERN C[C@H]1CC[C@H](N2CN=NC2=S)CC1 253137552 344928361 /nfs/dbraw/zinc/92/83/61/344928361.db2.gz UJQFNRUSNPZGIY-ZKCHVHJHSA-N 0 0 197.307 2.318 10 0 AEAERN O[C@H](c1cccnc1)[C@@H]1[C@H]2CCC[C@H]21 253196652 344930762 /nfs/dbraw/zinc/93/07/62/344930762.db2.gz TWSCMBGRVPBYLU-NOOOWODRSA-N 0 0 189.258 2.161 10 0 AEAERN O[C@@H](c1cccnc1)[C@@H]1[C@H]2CCC[C@H]21 253196653 344930768 /nfs/dbraw/zinc/93/07/68/344930768.db2.gz TWSCMBGRVPBYLU-QCNOEVLYSA-N 0 0 189.258 2.161 10 0 AEAERN C[C@@H]1CC(=O)CC[C@@]2(C)[C@H]1CC[C@H]2O 257715415 344942697 /nfs/dbraw/zinc/94/26/97/344942697.db2.gz YUNOIGISYJWSIL-KLHWPWHYSA-N 0 0 196.290 2.153 10 0 AEAERN Nc1ccccc1N1CCC[C@H](F)C1 258058383 344943791 /nfs/dbraw/zinc/94/37/91/344943791.db2.gz KMPMAMKUHBFZPZ-VIFPVBQESA-N 0 0 194.253 2.207 10 0 AEAERN FCCOc1cccc2c1CCN2 257943917 344943875 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/nfs/dbraw/zinc/93/90/40/345939040.db2.gz FFDUWKUCDBJDEM-UHFFFAOYSA-N 0 0 197.543 2.476 10 0 AEAERN CC(C)(C)CCC1=NC(=O)CS1 307272392 345939129 /nfs/dbraw/zinc/93/91/29/345939129.db2.gz UJVGALPCECPDMP-UHFFFAOYSA-N 0 0 185.292 2.485 10 0 AEAERN Cc1sccc1CNc1cn[nH]c1 307273231 345939743 /nfs/dbraw/zinc/93/97/43/345939743.db2.gz IHQAUUZKYBPDBP-UHFFFAOYSA-N 0 0 193.275 2.392 10 0 AEAERN CCC1(Nc2ccnc(Cl)n2)CC1 307264133 345933836 /nfs/dbraw/zinc/93/38/36/345933836.db2.gz ZVEOGNSNABGRSP-UHFFFAOYSA-N 0 0 197.669 2.485 10 0 AEAERN N[C@]1(C(F)(F)F)CC2CCC1CC2 307286356 345948253 /nfs/dbraw/zinc/94/82/53/345948253.db2.gz QUAMVPQDRPLRRA-KAVNDROISA-N 0 0 193.212 2.456 10 0 AEAERN Cc1nc(CN2C[C@H](C)[C@H]2C)cs1 307290050 345950336 /nfs/dbraw/zinc/95/03/36/345950336.db2.gz ZSGFRDFFPWEHKM-JGVFFNPUSA-N 0 0 196.319 2.292 10 0 AEAERN CC(C)C(=O)[C@@H]1CC[C@H]2C[C@H]21 307293655 345951899 /nfs/dbraw/zinc/95/18/99/345951899.db2.gz OPYISEWRLJSBJJ-DJLDLDEBSA-N 0 0 152.237 2.258 10 0 AEAERN 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MPOORAKXJALMIW-ATPLWMGHSA-N 0 0 196.294 2.050 10 0 AEAERN COC1CC(c2nc(C(C)C)no2)C1 624420882 347278370 /nfs/dbraw/zinc/27/83/70/347278370.db2.gz DPSLSDLTKDYTKD-UHFFFAOYSA-N 0 0 196.250 2.085 10 0 AEAERN C/C=C/CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 629031092 347325353 /nfs/dbraw/zinc/32/53/53/347325353.db2.gz MEUAJMJGHDJVOY-VYEHJAMSSA-N 0 0 193.290 2.115 10 0 AEAERN C/C=C\CNC(=O)C1CC2(CCC2)C1 629031738 347326088 /nfs/dbraw/zinc/32/60/88/347326088.db2.gz UEODBVKZKLTURJ-IHWYPQMZSA-N 0 0 193.290 2.259 10 0 AEAERN C/C=C\CNC(=O)C1=CC[C@@H](C)CC1 629031856 347326116 /nfs/dbraw/zinc/32/61/16/347326116.db2.gz IENORNJCEQTJDU-UMBAGQNISA-N 0 0 193.290 2.425 10 0 AEAERN C/C=C\CNC(=O)[C@H]1CCC1(C)C 629031751 347326126 /nfs/dbraw/zinc/32/61/26/347326126.db2.gz UHSWPVNGJAJXRK-XRVBUDJMSA-N 0 0 181.279 2.115 10 0 AEAERN C/C=C\CNC(=O)[C@H]1CC12CCCC2 629036853 347331024 /nfs/dbraw/zinc/33/10/24/347331024.db2.gz ISKXFDJLUXJVJI-MXQLGCADSA-N 0 0 193.290 2.259 10 0 AEAERN C/C=C/CNC(=O)c1oc(C)cc1C 629038214 347331638 /nfs/dbraw/zinc/33/16/38/347331638.db2.gz KOYDGXVBJQPKDP-SNAWJCMRSA-N 0 0 193.246 2.202 10 0 AEAERN C/C=C/CNC(=O)c1cc(C)oc1C 629038100 347331663 /nfs/dbraw/zinc/33/16/63/347331663.db2.gz JLGWPFLWCVSPSE-SNAWJCMRSA-N 0 0 193.246 2.202 10 0 AEAERN C/C=C/CNC(=O)c1cccc(C)c1 629044586 347333454 /nfs/dbraw/zinc/33/34/54/347333454.db2.gz PJRGCEJYTRJWII-ONEGZZNKSA-N 0 0 189.258 2.301 10 0 AEAERN C/C=C/CNC(=O)c1ccccc1C 629045807 347333947 /nfs/dbraw/zinc/33/39/47/347333947.db2.gz ZEJPIOHLSCJKCB-ONEGZZNKSA-N 0 0 189.258 2.301 10 0 AEAERN C[C@H]1C[C@H]1Cn1cc(Cl)cn1 629156351 347335214 /nfs/dbraw/zinc/33/52/14/347335214.db2.gz BRPQZAPFUMQMNH-BQBZGAKWSA-N 0 0 170.643 2.193 10 0 AEAERN C[C@H](Cc1ncc[nH]1)OC[C@@H]1C[C@H]1C 629166461 347335782 /nfs/dbraw/zinc/33/57/82/347335782.db2.gz UDBNCHAUWGCUJP-BBBLOLIVSA-N 0 0 194.278 2.013 10 0 AEAERN C[C@@H]1C[C@H]1CSc1ncc[nH]1 629158559 347335784 /nfs/dbraw/zinc/33/57/84/347335784.db2.gz LOLNFLIENXMIIT-RQJHMYQMSA-N 0 0 168.265 2.158 10 0 AEAERN CC[C@@H](C)N(CC)C(=O)C12CC(C1)C2 628036484 347306310 /nfs/dbraw/zinc/30/63/10/347306310.db2.gz BFMIERSYOAQOPQ-GRZMOONWSA-N 0 0 195.306 2.434 10 0 AEAERN COc1ncccc1OC[C@@H]1C[C@H]1C 629363694 347339889 /nfs/dbraw/zinc/33/98/89/347339889.db2.gz GKZWDPWKIBZYCG-BDAKNGLRSA-N 0 0 193.246 2.125 10 0 AEAERN COc1ncccc1OC[C@H]1C[C@H]1C 629363697 347340114 /nfs/dbraw/zinc/34/01/14/347340114.db2.gz GKZWDPWKIBZYCG-RKDXNWHRSA-N 0 0 193.246 2.125 10 0 AEAERN CNC(=O)NCC[C@H]1CCCC1(C)C 630392298 347362376 /nfs/dbraw/zinc/36/23/76/347362376.db2.gz NYNFSXYREAVKDR-SECBINFHSA-N 0 0 198.310 2.132 10 0 AEAERN C[C@@H]1C[C@@H]1CSc1ncc[nH]1 629158558 347335820 /nfs/dbraw/zinc/33/58/20/347335820.db2.gz LOLNFLIENXMIIT-RNFRBKRXSA-N 0 0 168.265 2.158 10 0 AEAERN C[C@H]1C[C@@H]1CSc1ncc[nH]1 629158557 347335823 /nfs/dbraw/zinc/33/58/23/347335823.db2.gz LOLNFLIENXMIIT-NKWVEPMBSA-N 0 0 168.265 2.158 10 0 AEAERN C[C@H]1C[C@H]1CO[C@H](C)Cc1ncc[nH]1 629166460 347335830 /nfs/dbraw/zinc/33/58/30/347335830.db2.gz UDBNCHAUWGCUJP-AEJSXWLSSA-N 0 0 194.278 2.013 10 0 AEAERN CC(C)(F)CNc1ncccc1F 631408235 347382376 /nfs/dbraw/zinc/38/23/76/347382376.db2.gz PKSQGARDEKKNNM-UHFFFAOYSA-N 0 0 186.205 2.381 10 0 AEAERN CC(C)CCC(=O)NCC(C)(C)F 633727812 347404661 /nfs/dbraw/zinc/40/46/61/347404661.db2.gz UYOZRFPZUCEIFG-UHFFFAOYSA-N 0 0 189.274 2.287 10 0 AEAERN CC(C)Nc1c(F)ccc2c1OCO2 634571632 347414425 /nfs/dbraw/zinc/41/44/25/347414425.db2.gz UQSYZGGTDLSANH-UHFFFAOYSA-N 0 0 197.209 2.375 10 0 AEAERN CCCCCN1N=C2CCC[C@@H]2C1=O 634619303 347422760 /nfs/dbraw/zinc/42/27/60/347422760.db2.gz VDUCDBQTXPHELF-VIFPVBQESA-N 0 0 194.278 2.175 10 0 AEAERN CC(=O)CN1Cc2ccccc2[C@@H]1C 639505883 347521365 /nfs/dbraw/zinc/52/13/65/347521365.db2.gz FEORGGNCROOCJI-JTQLQIEISA-N 0 0 189.258 2.152 10 0 AEAERN C1=C[C@@H](n2cc(C3CC3)nn2)CCC1 640947359 347559982 /nfs/dbraw/zinc/55/99/82/347559982.db2.gz GVLMNRTZYCXIJA-SNVBAGLBSA-N 0 0 189.262 2.437 10 0 AEAERN C/C=C\c1cn(CC2=CCCC2)nn1 641066824 347560429 /nfs/dbraw/zinc/56/04/29/347560429.db2.gz BXAGTJVYMWNNQH-DJWKRKHSSA-N 0 0 189.262 2.422 10 0 AEAERN C=Cc1cc(F)ccc1O 144578002 219807671 /nfs/dbraw/zinc/80/76/71/219807671.db2.gz OEHXEZQFNWLCNU-UHFFFAOYSA-N 0 0 138.141 2.174 10 0 AEAERN C[C@@H]1N(C)c2ccc(N)cc2C1(C)C 34286450 351438221 /nfs/dbraw/zinc/43/82/21/351438221.db2.gz OYZYHZMIJDELBQ-QMMMGPOBSA-N 0 0 190.290 2.385 10 0 AEAERN CC[C@@H](C)[C@@](C)(O)c1cccnc1 37761338 351474243 /nfs/dbraw/zinc/47/42/43/351474243.db2.gz ZCAJZPQSEWKDEB-MWLCHTKSSA-N 0 0 179.263 2.335 10 0 AEAERN C[C@@H]1CCCN1c1ccc(CO)cc1 37911410 351475280 /nfs/dbraw/zinc/47/52/80/351475280.db2.gz CJWPWLVRFOMESX-SNVBAGLBSA-N 0 0 191.274 2.168 10 0 AEAERN C[C@@](O)(c1cccs1)C1CC1 40237533 351505531 /nfs/dbraw/zinc/50/55/31/351505531.db2.gz JQDAACXUCLWBIV-VIFPVBQESA-N 0 0 168.261 2.366 10 0 AEAERN OC[C@H](Nc1ccc(F)cc1)C1CC1 41047687 351514967 /nfs/dbraw/zinc/51/49/67/351514967.db2.gz WPLCPXMVOOMELB-NSHDSACASA-N 0 0 195.237 2.009 10 0 AEAERN c1cc2cc3c[nH]nc3cc2o1 45823805 351545066 /nfs/dbraw/zinc/54/50/66/351545066.db2.gz MYKUJANYQYZIQL-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN CC[C@@H](C)c1ncsc1N 50308046 351553446 /nfs/dbraw/zinc/55/34/46/351553446.db2.gz HZPCNJQBXHQUIS-RXMQYKEDSA-N 0 0 156.254 2.239 10 0 AEAERN CCOc1cccc2c(N)ccnc12 50843789 351555798 /nfs/dbraw/zinc/55/57/98/351555798.db2.gz UHQJKNRYHUSMNI-UHFFFAOYSA-N 0 0 188.230 2.216 10 0 AEAERN O=Cc1ocnc1Cc1ccccc1 95077850 351667330 /nfs/dbraw/zinc/66/73/30/351667330.db2.gz HPIOPRWLLRZKTM-UHFFFAOYSA-N 0 0 187.198 2.078 10 0 AEAERN CC(=O)[C@H](C(C)C)[C@@H]1CCC[C@@]1(C)O 306221219 351909307 /nfs/dbraw/zinc/90/93/07/351909307.db2.gz PIYNSWFHNZTRNI-SDDRHHMPSA-N 0 0 198.306 2.399 10 0 AEAERN [NH3+]Cc1cc(-c2ccsn2)cs1 306541243 351943467 /nfs/dbraw/zinc/94/34/67/351943467.db2.gz SJRYUEIKMNQBGV-UHFFFAOYSA-N 0 0 196.300 2.330 10 0 AEAERN CCOc1nc(Cl)nc2cc[nH]c12 238263243 351819672 /nfs/dbraw/zinc/81/96/72/351819672.db2.gz JBOASISLMWPWLZ-UHFFFAOYSA-N 0 0 197.625 2.010 10 0 AEAERN CC(C)C(=O)NC1(C2(C)CC2)CC1 307095136 351986379 /nfs/dbraw/zinc/98/63/79/351986379.db2.gz TZUGHFYYAQBSRW-UHFFFAOYSA-N 0 0 181.279 2.091 10 0 AEAERN CC[C@@H](C)[C@@H](C)C(=O)N1CC(C)C1 308291428 352047663 /nfs/dbraw/zinc/04/76/63/352047663.db2.gz HJEMDXWUQDISIR-NXEZZACHSA-N 0 0 183.295 2.147 10 0 AEAERN CC[C@@H](C)[C@H](C)C(=O)N1CC(C)C1 308291432 352047669 /nfs/dbraw/zinc/04/76/69/352047669.db2.gz HJEMDXWUQDISIR-ZJUUUORDSA-N 0 0 183.295 2.147 10 0 AEAERN c1cc(CSC2CCC2)on1 334653044 352077987 /nfs/dbraw/zinc/07/79/87/352077987.db2.gz GGPCJAGPUKNOAA-UHFFFAOYSA-N 0 0 169.249 2.460 10 0 AEAERN Cc1ccccc1[C@@H](O)c1cccnc1 378064 229145304 /nfs/dbraw/zinc/14/53/04/229145304.db2.gz FLPCEDJQHXICRU-ZDUSSCGKSA-N 0 0 199.253 2.472 10 0 AEAERN CC(C)=C[C@@H](O)c1cccc(N)c1 575451280 352213376 /nfs/dbraw/zinc/21/33/76/352213376.db2.gz POWAPBFRFYRVLX-LLVKDONJSA-N 0 0 177.247 2.268 10 0 AEAERN Cc1c(F)nc([C@@H]2C[C@@H]2C)nc1F 575453065 352217798 /nfs/dbraw/zinc/21/77/98/352217798.db2.gz IMKMFIFLJUZSEM-UJURSFKZSA-N 0 0 184.189 2.187 10 0 AEAERN Fc1cc(-c2ccns2)cnc1F 575453937 352222527 /nfs/dbraw/zinc/22/25/27/352222527.db2.gz LNDMZCNCJSNPRI-UHFFFAOYSA-N 0 0 198.197 2.483 10 0 AEAERN Cc1cc(O)cc(NC2CC2)c1 575457694 352233586 /nfs/dbraw/zinc/23/35/86/352233586.db2.gz MOJYHEYTCFDKKC-UHFFFAOYSA-N 0 0 163.220 2.275 10 0 AEAERN Cc1cnc(-c2nc(C)c(C)[nH]2)s1 575464352 352258484 /nfs/dbraw/zinc/25/84/84/352258484.db2.gz OJXKBGGYHZZQOG-UHFFFAOYSA-N 0 0 193.275 2.458 10 0 AEAERN O=Cc1ccncc1C1=CCCC1 575464359 352258501 /nfs/dbraw/zinc/25/85/01/352258501.db2.gz VQULTURKMPMPLY-UHFFFAOYSA-N 0 0 173.215 2.461 10 0 AEAERN Cc1cc(C)c([C@H](O)C2CC2)[nH]1 575467735 352272636 /nfs/dbraw/zinc/27/26/36/352272636.db2.gz OHGKETDQSSPZFM-SNVBAGLBSA-N 0 0 165.236 2.075 10 0 AEAERN Fc1nc(Cl)nc2sccc12 575470837 352284884 /nfs/dbraw/zinc/28/48/84/352284884.db2.gz HHVVVKDGUWOWHV-UHFFFAOYSA-N 0 0 188.614 2.484 10 0 AEAERN C[C@H]1CC[C@@H](C)C[C@@]12CC(=O)CO2 575502077 352415281 /nfs/dbraw/zinc/41/52/81/352415281.db2.gz MRWQGAOTDWRNOC-WCABBAIRSA-N 0 0 182.263 2.171 10 0 AEAERN Cc1ccccc1[C@@H]1CC(=O)CO1 575502392 352417776 /nfs/dbraw/zinc/41/77/76/352417776.db2.gz QGILXBOBDVDBGS-NSHDSACASA-N 0 0 176.215 2.026 10 0 AEAERN C[C@H]1CCC[C@]2(CC1)CC(=O)CO2 575502945 352419504 /nfs/dbraw/zinc/41/95/04/352419504.db2.gz ZOAPVALTRFQZSG-ONGXEEELSA-N 0 0 182.263 2.315 10 0 AEAERN N#CN[C@H]1CCC12CCCCC2 575480673 352306715 /nfs/dbraw/zinc/30/67/15/352306715.db2.gz YMFFBGPXDLAZAC-VIFPVBQESA-N 0 0 164.252 2.170 10 0 AEAERN CC(F)(F)CNc1ccnc(F)c1 575481070 352309050 /nfs/dbraw/zinc/30/90/50/352309050.db2.gz QFLKLCDGOQWPCH-UHFFFAOYSA-N 0 0 190.168 2.288 10 0 AEAERN Cc1cc(C(=O)[C@H]2CC23CC3)sn1 575485674 352332245 /nfs/dbraw/zinc/33/22/45/352332245.db2.gz BHSZKPLQKHTHPP-SSDOTTSWSA-N 0 0 193.271 2.434 10 0 AEAERN Cc1ccc(NCC2CSC2)nc1 575488318 352348302 /nfs/dbraw/zinc/34/83/02/352348302.db2.gz RYKLPNHQWNFVRA-UHFFFAOYSA-N 0 0 194.303 2.165 10 0 AEAERN C[C@@H](Nc1cnsc1)[C@@H]1CCCO1 575493152 352371063 /nfs/dbraw/zinc/37/10/63/352371063.db2.gz BNXNOVKHWMLUIS-APPZFPTMSA-N 0 0 198.291 2.123 10 0 AEAERN Cc1c([C@@H]2C[C@H]2C2CC2)noc1N 575515319 352488330 /nfs/dbraw/zinc/48/83/30/352488330.db2.gz NSKOOKSYJTYXOP-JGVFFNPUSA-N 0 0 178.235 2.079 10 0 AEAERN NNc1csc(C(F)(F)F)c1 575545766 352622730 /nfs/dbraw/zinc/62/27/30/352622730.db2.gz QCHUTVLCLLKOGS-UHFFFAOYSA-N 0 0 182.170 2.053 10 0 AEAERN Cc1ccc([C@@H](O)C2(C)CC2)[nH]1 575535941 352581491 /nfs/dbraw/zinc/58/14/91/352581491.db2.gz RFIBMOIILIOUMT-SECBINFHSA-N 0 0 165.236 2.157 10 0 AEAERN C/C=C/[C@H]([NH3+])c1cncc(Cl)c1 575544421 352618159 /nfs/dbraw/zinc/61/81/59/352618159.db2.gz FWFYZYCCSHQABA-HPOULIHZSA-N 0 0 182.654 2.311 10 0 AEAERN S=c1ccnc([C@@H]2CCCCO2)[nH]1 575553558 352649091 /nfs/dbraw/zinc/64/90/91/352649091.db2.gz XUDFZLQXNQKMLZ-ZETCQYMHSA-N 0 0 196.275 2.007 10 0 AEAERN CC1(C)C[C@@]1(C)[C@H](O)c1cc[nH]c1 575547801 352629279 /nfs/dbraw/zinc/62/92/79/352629279.db2.gz YOCOLZHYKGOYPI-KOLCDFICSA-N 0 0 179.263 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/nfs/dbraw/zinc/61/74/15/325617415.db2.gz CEEFKTFMYRSMJX-GFCCVEGCSA-N 0 0 183.276 2.339 10 0 AEAERN CNc1c(Cl)cncc1Cl 104393299 325617438 /nfs/dbraw/zinc/61/74/38/325617438.db2.gz MXDGDGDSJQYGJK-UHFFFAOYSA-N 0 0 177.034 2.430 10 0 AEAERN CCc1cc(C)cc(CO)c1 231244092 325630967 /nfs/dbraw/zinc/63/09/67/325630967.db2.gz VITSERFATIPMIB-UHFFFAOYSA-N 0 0 150.221 2.050 10 0 AEAERN C[C@]1(O)CCC[C@@]2(C)CCC(=O)C[C@H]12 238742214 325633271 /nfs/dbraw/zinc/63/32/71/325633271.db2.gz MXEVPBYXRSDNCO-SRVKXCTJSA-N 0 0 196.290 2.297 10 0 AEAERN Cc1ccnc(N2CC[C@H](C)[C@H]2C)n1 335722266 325642409 /nfs/dbraw/zinc/64/24/09/325642409.db2.gz AITRNWCSJQENSE-WCBMZHEXSA-N 0 0 191.278 2.020 10 0 AEAERN Cc1ccnc(N2CC[C@H](C)[C@@H]2C)n1 335722268 325642497 /nfs/dbraw/zinc/64/24/97/325642497.db2.gz AITRNWCSJQENSE-WPRPVWTQSA-N 0 0 191.278 2.020 10 0 AEAERN CCCC(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 403146704 325642736 /nfs/dbraw/zinc/64/27/36/325642736.db2.gz FWEAGPCTNFHXST-OUAUKWLOSA-N 0 0 195.306 2.339 10 0 AEAERN 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536957511 325671629 /nfs/dbraw/zinc/67/16/29/325671629.db2.gz HISBHRRJUXTSNE-LDYMZIIASA-N 0 0 177.313 2.489 10 0 AEAERN CCC[S@@](=N)(=O)[C@@H](C)CC 536957361 325671641 /nfs/dbraw/zinc/67/16/41/325671641.db2.gz FTLRGPLEFCCJQF-OIBJUYFYSA-N 0 0 163.286 2.242 10 0 AEAERN CCC[S@](=N)(=O)[C@H](C)CC 536957363 325671657 /nfs/dbraw/zinc/67/16/57/325671657.db2.gz FTLRGPLEFCCJQF-XCBNKYQSSA-N 0 0 163.286 2.242 10 0 AEAERN CC[S@](=N)(=O)C1CCCCC1 536957532 325671669 /nfs/dbraw/zinc/67/16/69/325671669.db2.gz HNVJQUHPMNHIAD-NSHDSACASA-N 0 0 175.297 2.386 10 0 AEAERN CCC[S@](=N)(=O)CCC(C)C 536957418 325671765 /nfs/dbraw/zinc/67/17/65/325671765.db2.gz GKPLTISZGNBWOJ-NSHDSACASA-N 0 0 177.313 2.489 10 0 AEAERN CCC[S@](=N)(=O)C[C@@H](C)CC 536957510 325671768 /nfs/dbraw/zinc/67/17/68/325671768.db2.gz HISBHRRJUXTSNE-KWQFWETISA-N 0 0 177.313 2.489 10 0 AEAERN CC[S@@](=N)(=O)C1CCCCC1 536957531 325671814 /nfs/dbraw/zinc/67/18/14/325671814.db2.gz HNVJQUHPMNHIAD-LLVKDONJSA-N 0 0 175.297 2.386 10 0 AEAERN CCC[S@@](=N)(=O)C(C)(C)C 536959071 325672964 /nfs/dbraw/zinc/67/29/64/325672964.db2.gz WVCOVAWMJSKNFQ-SNVBAGLBSA-N 0 0 163.286 2.242 10 0 AEAERN CCC[S@@](=N)(=O)[C@@H](C)C(C)C 536958979 325672989 /nfs/dbraw/zinc/67/29/89/325672989.db2.gz VDOIKUQDYFPPEJ-GZMMTYOYSA-N 0 0 177.313 2.488 10 0 AEAERN CCC[S@](=N)(=O)C(C)(C)C 536959069 325672998 /nfs/dbraw/zinc/67/29/98/325672998.db2.gz WVCOVAWMJSKNFQ-JTQLQIEISA-N 0 0 163.286 2.242 10 0 AEAERN CCC[S@](=N)(=O)[C@@H](C)C(C)C 536958981 325673004 /nfs/dbraw/zinc/67/30/04/325673004.db2.gz VDOIKUQDYFPPEJ-KWQFWETISA-N 0 0 177.313 2.488 10 0 AEAERN CCC[S@](=N)(=O)[C@H](C)C(C)C 536958980 325673071 /nfs/dbraw/zinc/67/30/71/325673071.db2.gz VDOIKUQDYFPPEJ-KCJUWKMLSA-N 0 0 177.313 2.488 10 0 AEAERN CC(C)CS(=N)(=O)CC(C)C 536959286 325673315 /nfs/dbraw/zinc/67/33/15/325673315.db2.gz YUUKBCBVOZVXEV-UHFFFAOYSA-N 0 0 177.313 2.345 10 0 AEAERN FC(F)(F)c1c[nH]nc1C1CC1 536959826 325673492 /nfs/dbraw/zinc/67/34/92/325673492.db2.gz VNKYIIAUQGUMTH-UHFFFAOYSA-N 0 0 176.141 2.306 10 0 AEAERN Cc1ncsc1[C@H](O)c1ccoc1 6235 342923569 /nfs/dbraw/zinc/92/35/69/342923569.db2.gz YDEHXQQXLGIPPM-MRVPVSSYSA-N 0 0 195.243 2.126 10 0 AEAERN Cc1nc(NC=O)sc1C(C)(C)C 39913 342924558 /nfs/dbraw/zinc/92/45/58/342924558.db2.gz BSHSCJKUIDLKJZ-UHFFFAOYSA-N 0 0 198.291 2.317 10 0 AEAERN Cc1nc2ccc(NC=O)cc2s1 39802 342924669 /nfs/dbraw/zinc/92/46/69/342924669.db2.gz CBELFOCJXFZCHH-UHFFFAOYSA-N 0 0 192.243 2.173 10 0 AEAERN CC(C)c1csc2[nH]cnc(=O)c12 66313 342925400 /nfs/dbraw/zinc/92/54/00/342925400.db2.gz ZLEGWXYZILJCGG-UHFFFAOYSA-N 0 0 194.259 2.108 10 0 AEAERN Cc1csc2c(N(C)C)ncnc12 82174 342925794 /nfs/dbraw/zinc/92/57/94/342925794.db2.gz DWWSRZDFYZYCLE-UHFFFAOYSA-N 0 0 193.275 2.066 10 0 AEAERN Cc1cc(C)c(NC(N)=O)cc1C 70320 342926020 /nfs/dbraw/zinc/92/60/20/342926020.db2.gz FHHAREUTFAQJPL-UHFFFAOYSA-N 0 0 178.235 2.102 10 0 AEAERN Cc1ccc2nsnc2c1C 71492 342926056 /nfs/dbraw/zinc/92/60/56/342926056.db2.gz ASKSYZUHCVTDCD-UHFFFAOYSA-N 0 0 164.233 2.308 10 0 AEAERN Cc1cc(C)c(-c2cc[nH]n2)[nH]1 113166 342926737 /nfs/dbraw/zinc/92/67/37/342926737.db2.gz NAZLFNYLOYJQEP-UHFFFAOYSA-N 0 0 161.208 2.022 10 0 AEAERN CC12CCCC(C(N)=O)(CCC1)C2 136299 342927710 /nfs/dbraw/zinc/92/77/10/342927710.db2.gz BVJUCQHGLBDEHY-UHFFFAOYSA-N 0 0 181.279 2.222 10 0 AEAERN Cc1ccc2c(c1)NC(=O)C[C@@H](C)O2 161129 342929999 /nfs/dbraw/zinc/92/99/99/342929999.db2.gz PMOXBZWAOHVZOL-MRVPVSSYSA-N 0 0 191.230 2.105 10 0 AEAERN CCSC(=O)NC(C)(C)C 161775 342930087 /nfs/dbraw/zinc/93/00/87/342930087.db2.gz YSXXKKROZISECJ-UHFFFAOYSA-N 0 0 161.270 2.248 10 0 AEAERN CC1(C)[C@H]2CC[C@@]13CSN1O[C@@]13C2 161394 342930096 /nfs/dbraw/zinc/93/00/96/342930096.db2.gz GJXOOJSGIMRTIA-NCVFYZNSSA-N 0 0 197.303 2.418 10 0 AEAERN Cc1cc(C)n2nc(C3CC3)cc2n1 165518 342930735 /nfs/dbraw/zinc/93/07/35/342930735.db2.gz RSCKIUXONMRIRD-UHFFFAOYSA-N 0 0 187.246 2.224 10 0 AEAERN CCc1ccc2sc(N)nc2c1 337923 342934465 /nfs/dbraw/zinc/93/44/65/342934465.db2.gz MMVCYZFYBDRDBN-UHFFFAOYSA-N 0 0 178.260 2.441 10 0 AEAERN Cc1cc2c(nc1Cl)OCCC2 347035 342934763 /nfs/dbraw/zinc/93/47/63/342934763.db2.gz CVVMYPRXAUXIBT-UHFFFAOYSA-N 0 0 183.638 2.368 10 0 AEAERN CC1=N/C(=C/c2ccsc2)C(=O)O1 356592 342934800 /nfs/dbraw/zinc/93/48/00/342934800.db2.gz AKRFVTFRRIGKNO-XBXARRHUSA-N 0 0 193.227 2.064 10 0 AEAERN Cc1ccccc1[C@H](O)c1ccccn1 378195 342935099 /nfs/dbraw/zinc/93/50/99/342935099.db2.gz MTSBLFNKDBZFHR-ZDUSSCGKSA-N 0 0 199.253 2.472 10 0 AEAERN Cc1ccccc1[C@@H](O)c1ccccn1 378196 342935170 /nfs/dbraw/zinc/93/51/70/342935170.db2.gz MTSBLFNKDBZFHR-CYBMUJFWSA-N 0 0 199.253 2.472 10 0 AEAERN Cc1ccccc1[C@H](O)c1cccnc1 378063 342935271 /nfs/dbraw/zinc/93/52/71/342935271.db2.gz FLPCEDJQHXICRU-CYBMUJFWSA-N 0 0 199.253 2.472 10 0 AEAERN Oc1cccc(CC(F)(F)F)c1 374731 342935278 /nfs/dbraw/zinc/93/52/78/342935278.db2.gz NVLPKNPGWGKEMW-UHFFFAOYSA-N 0 0 176.137 2.497 10 0 in-vitro AEAERN CCCC(=O)c1ccc(O)c(C)c1O 393062 342936765 /nfs/dbraw/zinc/93/67/65/342936765.db2.gz CJDDRLSUHGAYKY-UHFFFAOYSA-N 0 0 194.230 2.389 10 0 AEAERN O=C1OCC2=C1C=Cc1ccccc1C2 405016 342938978 /nfs/dbraw/zinc/93/89/78/342938978.db2.gz OZUBMMZZHUOSRS-UHFFFAOYSA-N 0 0 198.221 2.109 10 0 AEAERN O=c1oc(C2CC2)nc2ccccc12 1045991 342943044 /nfs/dbraw/zinc/94/30/44/342943044.db2.gz CZLOKGHHQUDFBC-UHFFFAOYSA-N 0 0 187.198 2.065 10 0 AEAERN C[C@H]1[C@H](C)C2CCC1(CO)CC2 1041056 342943057 /nfs/dbraw/zinc/94/30/57/342943057.db2.gz SUTZCKXJNGAYJD-SAAXCQNUSA-N 0 0 168.280 2.441 10 0 AEAERN C[C@H]1C2CCC(CO)(CC2)[C@@H]1C 1041055 342943222 /nfs/dbraw/zinc/94/32/22/342943222.db2.gz SUTZCKXJNGAYJD-NKVNRFPTSA-N 0 0 168.280 2.441 10 0 AEAERN Nc1ccc(-c2cccc(CO)c2)cc1 1259820 342944049 /nfs/dbraw/zinc/94/40/49/342944049.db2.gz CTTXNMHSFUCOCH-UHFFFAOYSA-N 0 0 199.253 2.428 10 0 AEAERN Nc1cccc(-c2cccc(CO)c2)c1 1259194 342944152 /nfs/dbraw/zinc/94/41/52/342944152.db2.gz HQVVZRVJRPKQJD-UHFFFAOYSA-N 0 0 199.253 2.428 10 0 AEAERN C[C@H]1C=Cc2ccc(O)cc2O1 1451698 342945694 /nfs/dbraw/zinc/94/56/94/342945694.db2.gz VJLAXYWKGRTZQV-ZETCQYMHSA-N 0 0 162.188 2.186 10 0 AEAERN C[C@H]1C=Cc2cc(O)ccc2O1 1453793 342945756 /nfs/dbraw/zinc/94/57/56/342945756.db2.gz ZAIHOORJPSOICJ-ZETCQYMHSA-N 0 0 162.188 2.186 10 0 AEAERN C=CC(=O)OC/C=C/c1ccccc1 1577284 342948429 /nfs/dbraw/zinc/94/84/29/342948429.db2.gz QMEMFEMQJJOZGM-RMKNXTFCSA-N 0 0 188.226 2.429 10 0 AEAERN CC(=O)[C@H]1C[C@@H]1C(=O)c1ccccc1 1585783 342949278 /nfs/dbraw/zinc/94/92/78/342949278.db2.gz RQHGRXMWNHQFPH-MNOVXSKESA-N 0 0 188.226 2.094 10 0 AEAERN CCC(=O)c1cc(C)oc1C 1596540 342950386 /nfs/dbraw/zinc/95/03/86/342950386.db2.gz WBYFIZLKDMAHFM-UHFFFAOYSA-N 0 0 152.193 2.489 10 0 AEAERN CN(C)C(=O)Oc1ccc(Cl)cc1 1602961 342951193 /nfs/dbraw/zinc/95/11/93/342951193.db2.gz QTILATGINOFTLP-UHFFFAOYSA-N 0 0 199.637 2.400 10 0 AEAERN CC[P@](C)(=O)c1ccccc1 1613070 342952266 /nfs/dbraw/zinc/95/22/66/342952266.db2.gz KRIUNOZDQYVKHM-NSHDSACASA-N 0 0 168.176 2.325 10 0 AEAERN Cc1cccc(Cl)c1NC[C@H]1CO1 1666054 342955561 /nfs/dbraw/zinc/95/55/61/342955561.db2.gz JWLQREPOESXGGX-QMMMGPOBSA-N 0 0 197.665 2.459 10 0 AEAERN CC(C)[C@@H]1OCOCC1(C)C 1679885 342957667 /nfs/dbraw/zinc/95/76/67/342957667.db2.gz KBYHWUXTLMRZHL-QMMMGPOBSA-N 0 0 158.241 2.042 10 0 AEAERN CN(N)c1ccc2ccccc2c1 1679171 342957696 /nfs/dbraw/zinc/95/76/96/342957696.db2.gz XSOIXRQNJRDDDK-UHFFFAOYSA-N 0 0 172.231 2.150 10 0 AEAERN O[C@H](c1ccccc1)C1(O)CCCC1 1688729 342958704 /nfs/dbraw/zinc/95/87/04/342958704.db2.gz VIZSMSDSGZGXRS-LLVKDONJSA-N 0 0 192.258 2.025 10 0 AEAERN CCOC(=O)C(=O)CC1CCCCC1 1765532 342964463 /nfs/dbraw/zinc/96/44/63/342964463.db2.gz KSVJCMDMIBOFBG-UHFFFAOYSA-N 0 0 198.262 2.089 10 0 AEAERN CCCC/C=C/C(=O)OCC 1765592 342964470 /nfs/dbraw/zinc/96/44/70/342964470.db2.gz CYLQPOIZDBIXFP-BQYQJAHWSA-N 0 0 156.225 2.296 10 0 in-man AEAERN O=C(c1ccc(O)cc1)C1CCC1 1765920 342964507 /nfs/dbraw/zinc/96/45/07/342964507.db2.gz KHPIHQGLFDFCIG-UHFFFAOYSA-N 0 0 176.215 2.375 10 0 AEAERN Cc1ccc(O)c(C)c1C 1846584 342964694 /nfs/dbraw/zinc/96/46/94/342964694.db2.gz XRUGBBIQLIVCSI-UHFFFAOYSA-N 0 0 136.194 2.317 10 0 in-vitro AEAERN CCCCOc1ccc(N)cc1OC 1847120 342964754 /nfs/dbraw/zinc/96/47/54/342964754.db2.gz XGLYMVHOEUAQJZ-UHFFFAOYSA-N 0 0 195.262 2.456 10 0 AEAERN FCC(F)(F)C(F)(F)Cl 1845837 342964976 /nfs/dbraw/zinc/96/49/76/342964976.db2.gz UHMWWIKRVZTBBR-UHFFFAOYSA-N 0 0 168.492 2.423 10 0 AEAERN CCCNNc1ccccc1 1855158 342965069 /nfs/dbraw/zinc/96/50/69/342965069.db2.gz IJMARSXMLSCBJU-UHFFFAOYSA-N 0 0 150.225 2.013 10 0 AEAERN CN(C1=NC1(C)C)c1ccccc1 1872106 342965607 /nfs/dbraw/zinc/96/56/07/342965607.db2.gz ZIFAPXORQOTAAY-UHFFFAOYSA-N 0 0 174.247 2.314 10 0 AEAERN CCc1ccc(C)c(O)c1 1995231 342965971 /nfs/dbraw/zinc/96/59/71/342965971.db2.gz AYGDIAGADYTJRY-UHFFFAOYSA-N 0 0 136.194 2.263 10 0 AEAERN CC(C)[C@H]1CCC(=O)[C@@H]1C 2003129 342966140 /nfs/dbraw/zinc/96/61/40/342966140.db2.gz VWBCFESGRRREEF-HTQZYQBOSA-N 0 0 140.226 2.258 10 0 AEAERN OC(Cl)(Cl)c1ccccc1 2023005 342967198 /nfs/dbraw/zinc/96/71/98/342967198.db2.gz DFTKKYALBJHNLT-UHFFFAOYSA-N 0 0 177.030 2.267 10 0 in-vitro AEAERN CCCCC12CCC(O)(CC1)CC2=O 2022943 342967206 /nfs/dbraw/zinc/96/72/06/342967206.db2.gz GJFUFCSVKMQVOY-UHFFFAOYSA-N 0 0 196.290 2.441 10 0 AEAERN CC(C)[C@@H](C)C(C)(C)O 2032955 342967494 /nfs/dbraw/zinc/96/74/94/342967494.db2.gz FTPXXARYDFWPGE-SSDOTTSWSA-N 0 0 130.231 2.049 10 0 AEAERN CN(C)c1ccc2[nH]cc(C=O)c2c1 2029787 342967592 /nfs/dbraw/zinc/96/75/92/342967592.db2.gz ZBXFRJNUAWOOCU-UHFFFAOYSA-N 0 0 188.230 2.046 10 0 AEAERN CCC(CC)(C(N)=O)c1ccccc1 2034484 342967953 /nfs/dbraw/zinc/96/79/53/342967953.db2.gz GRRCDRIBJQKMEW-UHFFFAOYSA-N 0 0 191.274 2.230 10 0 AEAERN CC[C@]1(c2ccccc2)CCOC1=O 2038137 342968178 /nfs/dbraw/zinc/96/81/78/342968178.db2.gz TVRCQMFDVHKZHL-GFCCVEGCSA-N 0 0 190.242 2.281 10 0 AEAERN CC[C@@]1(c2ccccc2)CCOC1=O 2038136 342968242 /nfs/dbraw/zinc/96/82/42/342968242.db2.gz TVRCQMFDVHKZHL-LBPRGKRZSA-N 0 0 190.242 2.281 10 0 AEAERN Cc1cc(C)c(C)nc1C 2038438 342968261 /nfs/dbraw/zinc/96/82/61/342968261.db2.gz ZAAVUWIYUMVQJG-UHFFFAOYSA-N 0 0 135.210 2.315 10 0 AEAERN CNC(=O)Oc1ccc(C)c(C)c1C 2038205 342968355 /nfs/dbraw/zinc/96/83/55/342968355.db2.gz QDTDXNJDLXKLLJ-UHFFFAOYSA-N 0 0 193.246 2.330 10 0 AEAERN CCCC[C@H]1CCCO1 2040073 342968695 /nfs/dbraw/zinc/96/86/95/342968695.db2.gz GBOMEIMCQWMHGB-QMMMGPOBSA-N 0 0 128.215 2.356 10 0 in-vitro AEAERN O[C@@H](c1ccccc1)C1(O)CCCC1 2044402 342969240 /nfs/dbraw/zinc/96/92/40/342969240.db2.gz VIZSMSDSGZGXRS-NSHDSACASA-N 0 0 192.258 2.025 10 0 AEAERN CC(C)[C@H]1OCOCC1(C)C 2044866 342969293 /nfs/dbraw/zinc/96/92/93/342969293.db2.gz KBYHWUXTLMRZHL-MRVPVSSYSA-N 0 0 158.241 2.042 10 0 AEAERN Cc1cccc(Cl)c1NC[C@@H]1CO1 2048294 342969693 /nfs/dbraw/zinc/96/96/93/342969693.db2.gz JWLQREPOESXGGX-MRVPVSSYSA-N 0 0 197.665 2.459 10 0 AEAERN O=C(C#Cc1ccccc1)C1CCC1 2245593 342971254 /nfs/dbraw/zinc/97/12/54/342971254.db2.gz SAZNGLWNQCAYFS-UHFFFAOYSA-N 0 0 184.238 2.407 10 0 AEAERN Cc1ccc(C)c2c1CCOC2 2389235 342971742 /nfs/dbraw/zinc/97/17/42/342971742.db2.gz RWFQTRLEIAXERF-UHFFFAOYSA-N 0 0 162.232 2.376 10 0 AEAERN CC1=[NH+][C@@H](C)Cc2ccccc21 2472833 342972324 /nfs/dbraw/zinc/97/23/24/342972324.db2.gz MFRSLKXLFAZRBP-QMMMGPOBSA-N 0 0 159.232 2.440 10 0 AEAERN CC1=[NH+][C@H](C)Cc2ccccc21 2472835 342972364 /nfs/dbraw/zinc/97/23/64/342972364.db2.gz MFRSLKXLFAZRBP-MRVPVSSYSA-N 0 0 159.232 2.440 10 0 AEAERN CCC(CC)C(C)(C)O 2508034 342972904 /nfs/dbraw/zinc/97/29/04/342972904.db2.gz FRUMTAZIGSJVOJ-UHFFFAOYSA-N 0 0 130.231 2.194 10 0 AEAERN CCC(C)(CC)[C@@H](C)O 2508061 342972992 /nfs/dbraw/zinc/97/29/92/342972992.db2.gz SLBLSROGXMXPPF-SSDOTTSWSA-N 0 0 130.231 2.194 10 0 AEAERN CC(=O)OC(C(C)C)C(C)C 2528272 342974541 /nfs/dbraw/zinc/97/45/41/342974541.db2.gz OXCWHEWLKNJJET-UHFFFAOYSA-N 0 0 158.241 2.230 10 0 AEAERN C[C@H]1C=C[C@H](C)C1 2528239 342974785 /nfs/dbraw/zinc/97/47/85/342974785.db2.gz PUPAPFTXLYVYPX-BQBZGAKWSA-N 0 0 96.173 2.219 10 0 AEAERN CC(C)Cc1ccco1 2534122 342975157 /nfs/dbraw/zinc/97/51/57/342975157.db2.gz CEUCQOVUFPKFPA-UHFFFAOYSA-N 0 0 124.183 2.478 10 0 AEAERN CC[C@H]1C[C@H]1CC 2545187 342975909 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/nfs/dbraw/zinc/01/26/48/343012648.db2.gz BCZQJHZJJCOAHQ-UHFFFAOYSA-N 0 0 179.219 2.427 10 0 AEAERN O=[N+]([O-])/C=C/C=C/c1ccccc1 6095595 343012750 /nfs/dbraw/zinc/01/27/50/343012750.db2.gz HXAORLISYKTFNQ-KBXRYBNXSA-N 0 0 175.187 2.490 10 0 AEAERN Cc1ccc(OC[C@H]2CO2)c(Cl)c1 6189843 343012975 /nfs/dbraw/zinc/01/29/75/343012975.db2.gz QNWUKLUCIWIHHN-MRVPVSSYSA-N 0 0 198.649 2.426 10 0 AEAERN Cc1ccc(OC[C@@H]2CO2)c(Cl)c1 6189841 343013324 /nfs/dbraw/zinc/01/33/24/343013324.db2.gz QNWUKLUCIWIHHN-QMMMGPOBSA-N 0 0 198.649 2.426 10 0 AEAERN CC[P@@](C)(=O)c1ccccc1 6371579 343014289 /nfs/dbraw/zinc/01/42/89/343014289.db2.gz KRIUNOZDQYVKHM-LLVKDONJSA-N 0 0 168.176 2.325 10 0 AEAERN CC(C)c1nc2sccn2c1C=O 6564357 343015461 /nfs/dbraw/zinc/01/54/61/343015461.db2.gz CSKJMEUSCLJJIP-UHFFFAOYSA-N 0 0 194.259 2.332 10 0 AEAERN c1ccc2nc(N3CC3)ccc2c1 6584095 343015598 /nfs/dbraw/zinc/01/55/98/343015598.db2.gz VSODRMPDFKMECP-UHFFFAOYSA-N 0 0 170.215 2.055 10 0 AEAERN CC(C)n1c(=O)oc2ccccc21 6633986 343015644 /nfs/dbraw/zinc/01/56/44/343015644.db2.gz QJDGHFNMLYEPBI-UHFFFAOYSA-N 0 0 177.203 2.175 10 0 AEAERN CC(=O)[C@@H]1C[C@@H]1C(=O)c1ccccc1 6761593 343016385 /nfs/dbraw/zinc/01/63/85/343016385.db2.gz RQHGRXMWNHQFPH-QWRGUYRKSA-N 0 0 188.226 2.094 10 0 AEAERN CC[C@H](O)c1nc2ccccc2n1C 6745561 343016396 /nfs/dbraw/zinc/01/63/96/343016396.db2.gz GWLPEQPQUIXOPZ-JTQLQIEISA-N 0 0 190.246 2.017 10 0 AEAERN CCCCc1cnc(N)s1 13223397 343033754 /nfs/dbraw/zinc/03/37/54/343033754.db2.gz DSSQRZNGLWNALI-UHFFFAOYSA-N 0 0 156.254 2.068 10 0 AEAERN CC(=O)[C@H]1C[C@H]1C(=O)c1ccccc1 6761623 343016541 /nfs/dbraw/zinc/01/65/41/343016541.db2.gz RQHGRXMWNHQFPH-GHMZBOCLSA-N 0 0 188.226 2.094 10 0 AEAERN CCCC(CCC)n1[nH]c(=O)cc1N 6810778 343016744 /nfs/dbraw/zinc/01/67/44/343016744.db2.gz LKGMHLXCIAOPIN-UHFFFAOYSA-N 0 0 197.282 2.312 10 0 AEAERN CCCC[C@@H](CC)n1[nH]c(=O)cc1N 6810779 343016828 /nfs/dbraw/zinc/01/68/28/343016828.db2.gz FRPZESRBXNVXGP-MRVPVSSYSA-N 0 0 197.282 2.312 10 0 AEAERN Cn1cccc(-c2ccccc2)c1=O 7089674 343017382 /nfs/dbraw/zinc/01/73/82/343017382.db2.gz ULYZWTLDAJORNL-UHFFFAOYSA-N 0 0 185.226 2.052 10 0 AEAERN CN(O)/C=C1\C=Nc2ccccc21 8340465 343018298 /nfs/dbraw/zinc/01/82/98/343018298.db2.gz OUGATPZCFTZHDN-BQYQJAHWSA-N 0 0 174.203 2.064 10 0 AEAERN Cc1nn(-c2ccccc2)c(N)c1C 8548573 343018672 /nfs/dbraw/zinc/01/86/72/343018672.db2.gz PUAVVYSZRNWCGP-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN c1ccc2c(c1)CCc1cncnc1N2 8577346 343018718 /nfs/dbraw/zinc/01/87/18/343018718.db2.gz PVMBWVZTPFYQIZ-UHFFFAOYSA-N 0 0 197.241 2.319 10 0 AEAERN Cc1cc(=O)c2c(ccc3c[nH]nc32)[nH]1 8647793 343019636 /nfs/dbraw/zinc/01/96/36/343019636.db2.gz JLJSNSCGUJPSAB-UHFFFAOYSA-N 0 0 199.213 2.125 10 0 AEAERN CC[C@H](NO)c1ccccc1 8700247 343019866 /nfs/dbraw/zinc/01/98/66/343019866.db2.gz OHKAVOYPLJSKMZ-VIFPVBQESA-N 0 0 151.209 2.117 10 0 AEAERN CC[C@@H](NO)c1ccccc1 8700248 343019976 /nfs/dbraw/zinc/01/99/76/343019976.db2.gz OHKAVOYPLJSKMZ-SECBINFHSA-N 0 0 151.209 2.117 10 0 AEAERN CC1(c2nnc(N)s2)CCCCC1 8726800 343020249 /nfs/dbraw/zinc/02/02/49/343020249.db2.gz VFBWPYIGNOTWEX-UHFFFAOYSA-N 0 0 197.307 2.342 10 0 AEAERN Cc1ccc(-c2nnc(N)s2)s1 8727043 343020407 /nfs/dbraw/zinc/02/04/07/343020407.db2.gz NCINGWSXKXPUBT-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN Cc1cc(O)c(C)c(O)c1C 14822229 343040051 /nfs/dbraw/zinc/04/00/51/343040051.db2.gz KRIDOPOPBBSDNT-UHFFFAOYSA-N 0 0 152.193 2.023 10 0 biogenic AEAERN Cc1cc(C=O)cc(C)c1C 14822225 343040197 /nfs/dbraw/zinc/04/01/97/343040197.db2.gz SYBPMJLJCUCJGM-UHFFFAOYSA-N 0 0 148.205 2.424 10 0 endogenous,in-man AEAERN Cc1ccc(-c2ccnc(N)n2)s1 9280511 343021446 /nfs/dbraw/zinc/02/14/46/343021446.db2.gz HFSHDTRSOKKWQU-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 in-vitro AEAERN CCCCN(CC)c1ccc(N)cn1 11568745 343022422 /nfs/dbraw/zinc/02/24/22/343022422.db2.gz OALVAYPGYOSZEF-UHFFFAOYSA-N 0 0 193.294 2.290 10 0 AEAERN C[N@H+](C1CCCCC1)C(C)(C)C(=O)[O-] 11798467 343024572 /nfs/dbraw/zinc/02/45/72/343024572.db2.gz CJLDEJZCDLNPDA-UHFFFAOYSA-N 0 0 199.294 2.114 10 0 AEAERN Cc1ccc(CO)c(C)c1C 12153254 343028303 /nfs/dbraw/zinc/02/83/03/343028303.db2.gz QDEJGXVDDXLDIC-UHFFFAOYSA-N 0 0 150.221 2.104 10 0 AEAERN CC(O)=CC(=O)c1ccccc1 12358754 343028882 /nfs/dbraw/zinc/02/88/82/343028882.db2.gz DLVGHEXDQPIBDF-FPLPWBNLSA-N 0 0 162.188 2.331 10 0 AEAERN C[S@](=O)c1nc2ccccc2s1 12367581 343029305 /nfs/dbraw/zinc/02/93/05/343029305.db2.gz WNJYDCANHJSWTI-GFCCVEGCSA-N 0 0 197.284 2.034 10 0 AEAERN CC1C[C@@H]2CC(=O)C[C@H](C1)C2 12408807 343030997 /nfs/dbraw/zinc/03/09/97/343030997.db2.gz MMLOOGBEEZQKPO-CBLAIPOGSA-N 0 0 152.237 2.402 10 0 AEAERN CCc1ccc(C)c(C)n1 13232919 343033706 /nfs/dbraw/zinc/03/37/06/343033706.db2.gz MMOOOQAABWPBQJ-UHFFFAOYSA-N 0 0 135.210 2.261 10 0 AEAERN CO/C=C/c1ccc(OC)c(OC)c1 13340521 343034190 /nfs/dbraw/zinc/03/41/90/343034190.db2.gz ZRQLVVDHVBUPEZ-VOTSOKGWSA-N 0 0 194.230 2.321 10 0 AEAERN CCc1nc2n(c1C)CCCC2 13384165 343034513 /nfs/dbraw/zinc/03/45/13/343034513.db2.gz CEPVIRSMBYZDAG-UHFFFAOYSA-N 0 0 164.252 2.090 10 0 AEAERN C=CCC[C@H]1C=C(/C=C/C)C(=O)O1 13380380 343034606 /nfs/dbraw/zinc/03/46/06/343034606.db2.gz BJPQUMCGDYCEDF-RWCYGVJQSA-N 0 0 178.231 2.381 10 0 AEAERN CCc1c(C)nc2n1CCCC2 13384164 343034725 /nfs/dbraw/zinc/03/47/25/343034725.db2.gz OSLLDMMZAKJNKZ-UHFFFAOYSA-N 0 0 164.252 2.090 10 0 AEAERN CCCC[C@@H]1CCCO1 13380579 343034743 /nfs/dbraw/zinc/03/47/43/343034743.db2.gz GBOMEIMCQWMHGB-MRVPVSSYSA-N 0 0 128.215 2.356 10 0 in-vitro AEAERN O=C1OCCCC[C@H]1c1ccccc1 13508107 343035091 /nfs/dbraw/zinc/03/50/91/343035091.db2.gz CHRZWHKOEQQAPH-NSHDSACASA-N 0 0 190.242 2.497 10 0 AEAERN O=C1OCCCC[C@@H]1c1ccccc1 13508106 343035111 /nfs/dbraw/zinc/03/51/11/343035111.db2.gz CHRZWHKOEQQAPH-LLVKDONJSA-N 0 0 190.242 2.497 10 0 AEAERN CC1(C)[C@@H]2CC[C@]13CSN1O[C@@]13C2 13465701 343035259 /nfs/dbraw/zinc/03/52/59/343035259.db2.gz GJXOOJSGIMRTIA-KSNGIRGQSA-N 0 0 197.303 2.418 10 0 AEAERN CC(C)(C)[C@H]1CCOC(=O)CC1 13508128 343035279 /nfs/dbraw/zinc/03/52/79/343035279.db2.gz XFKCBMHHCWKGMQ-MRVPVSSYSA-N 0 0 170.252 2.376 10 0 AEAERN CCC[C@](F)(C(N)=O)[C@@H](C)CC 13915062 343038189 /nfs/dbraw/zinc/03/81/89/343038189.db2.gz BRXRWUMBNFSJRB-IONNQARKSA-N 0 0 175.247 2.026 10 0 AEAERN CCC[C@@](F)(C(N)=O)[C@@H](C)CC 13915063 343038208 /nfs/dbraw/zinc/03/82/08/343038208.db2.gz BRXRWUMBNFSJRB-CBAPKCEASA-N 0 0 175.247 2.026 10 0 AEAERN Cc1ncsc1[C@@H](O)c1ccco1 13906180 343038222 /nfs/dbraw/zinc/03/82/22/343038222.db2.gz UKOAUGAIZTVJKD-QMMMGPOBSA-N 0 0 195.243 2.126 10 0 AEAERN CCC[C@](F)(C(N)=O)[C@H](C)CC 13915065 343038268 /nfs/dbraw/zinc/03/82/68/343038268.db2.gz BRXRWUMBNFSJRB-VXNVDRBHSA-N 0 0 175.247 2.026 10 0 AEAERN CC(C)c1ccc(C=O)cc1O 14485552 343038604 /nfs/dbraw/zinc/03/86/04/343038604.db2.gz AAHPQRUIQYEFLD-UHFFFAOYSA-N 0 0 164.204 2.328 10 0 AEAERN Cc1cn(C)c2ccc(O)cc12 14490358 343038637 /nfs/dbraw/zinc/03/86/37/343038637.db2.gz YIHBZFHOBSCEFD-UHFFFAOYSA-N 0 0 161.204 2.192 10 0 AEAERN COc1cc(CO)ccc1C(C)C 14485566 343038835 /nfs/dbraw/zinc/03/88/35/343038835.db2.gz UGNWVAUDNUJJGM-UHFFFAOYSA-N 0 0 180.247 2.311 10 0 AEAERN C[C@H]1CCCCCCC(=O)O1 14492676 343038980 /nfs/dbraw/zinc/03/89/80/343038980.db2.gz XJUMADFCBHRJQU-QMMMGPOBSA-N 0 0 156.225 2.272 10 0 AEAERN CC[C@H](C)c1cnc(C)c(OC)n1 14589681 343039067 /nfs/dbraw/zinc/03/90/67/343039067.db2.gz CQKQPXBHCKUVTC-ZETCQYMHSA-N 0 0 180.251 2.307 10 0 AEAERN C[C@@H]1CC(=O)CC[C@]2(C)[C@@H](O)CC[C@@H]12 14512077 343039176 /nfs/dbraw/zinc/03/91/76/343039176.db2.gz YUNOIGISYJWSIL-QTKMDUPCSA-N 0 0 196.290 2.153 10 0 AEAERN CCCCCc1cc(O)cc(=O)o1 14502650 343039223 /nfs/dbraw/zinc/03/92/23/343039223.db2.gz YIXLDRQOKWESBI-UHFFFAOYSA-N 0 0 182.219 2.078 10 0 in-vitro AEAERN CC1=C2CC[C@@H](C)C=C2OC1=O 14588443 343039291 /nfs/dbraw/zinc/03/92/91/343039291.db2.gz ZRTWVYJNKXXDDT-ZCFIWIBFSA-N 0 0 164.204 2.174 10 0 endogenous,in-man AEAERN CCC/C=C/C=C\C(=O)OCC 14616369 343039504 /nfs/dbraw/zinc/03/95/04/343039504.db2.gz VCJFBQACKACAPP-MUIOLIGRSA-N 0 0 168.236 2.462 10 0 AEAERN OCC/C=C/c1ccccc1 14651520 343039792 /nfs/dbraw/zinc/03/97/92/343039792.db2.gz IAHCIRBKFCOPEE-XBXARRHUSA-N 0 0 148.205 2.082 10 0 AEAERN Cc1cc(=O)ccc2c1CC[C@H]2C 14823312 343040119 /nfs/dbraw/zinc/04/01/19/343040119.db2.gz MDFATIDEXXOYPV-MRVPVSSYSA-N 0 0 174.243 2.405 10 0 endogenous,in-man AEAERN Cc1cc(N)c2c(Cl)n[nH]c2c1 14983788 343040561 /nfs/dbraw/zinc/04/05/61/343040561.db2.gz JCTVVOKJIRKAPT-UHFFFAOYSA-N 0 0 181.626 2.107 10 0 in-vitro AEAERN Cc1cc(Cl)cc2[nH]nc(C=O)c12 14984641 343040688 /nfs/dbraw/zinc/04/06/88/343040688.db2.gz ITHRJSQOXDZEMG-UHFFFAOYSA-N 0 0 194.621 2.337 10 0 AEAERN Cc1cc(Cl)c2[nH][nH]c(=O)c2c1 14985628 343040948 /nfs/dbraw/zinc/04/09/48/343040948.db2.gz ZAAFZKHYUMDBBK-UHFFFAOYSA-N 0 0 182.610 2.230 10 0 AEAERN CC(C)c1cc(N)c2c[nH]nc2c1 14985803 343041043 /nfs/dbraw/zinc/04/10/43/343041043.db2.gz AVIMIKVBGQYPTR-UHFFFAOYSA-N 0 0 175.235 2.269 10 0 in-vitro AEAERN COc1cc(C)cc(O)c1C 15119444 343041307 /nfs/dbraw/zinc/04/13/07/343041307.db2.gz BKTWCYQXHSDAKV-UHFFFAOYSA-N 0 0 152.193 2.018 10 0 AEAERN COc1cc(O)cc(C)c1C 15119448 343041390 /nfs/dbraw/zinc/04/13/90/343041390.db2.gz FXWFDACDFREEHB-UHFFFAOYSA-N 0 0 152.193 2.018 10 0 AEAERN CC1(C)C=Cc2cc(CO)ccc2O1 15119475 343041427 /nfs/dbraw/zinc/04/14/27/343041427.db2.gz QNBPDVUHGIPLIS-UHFFFAOYSA-N 0 0 190.242 2.363 10 0 AEAERN CCC(=O)c1oc(C)cc1C 15019557 343041430 /nfs/dbraw/zinc/04/14/30/343041430.db2.gz FKICBCSIEOCHKT-UHFFFAOYSA-N 0 0 152.193 2.489 10 0 AEAERN CC(O)=C(C)C(=O)CC(C)C 15119949 343041529 /nfs/dbraw/zinc/04/15/29/343041529.db2.gz NJGQBAJUVFNFTN-CLFYSBASSA-N 0 0 156.225 2.454 10 0 AEAERN CCOC(=O)c1ccc(F)cc1OC 15446157 343042156 /nfs/dbraw/zinc/04/21/56/343042156.db2.gz UIBOSKHTUACCEL-UHFFFAOYSA-N 0 0 198.193 2.011 10 0 AEAERN Cc1cc2cc[nH]c2nc1C 16678102 343044001 /nfs/dbraw/zinc/04/40/01/343044001.db2.gz PNVFQKXTEZMZPM-UHFFFAOYSA-N 0 0 146.193 2.180 10 0 AEAERN C[C@H](c1ccccc1)N1CC1 17789174 343047278 /nfs/dbraw/zinc/04/72/78/343047278.db2.gz NSLXHVZJDLDPAQ-SECBINFHSA-N 0 0 147.221 2.063 10 0 AEAERN C[C@H]1C=Cc2cccn2C1 18555477 343048968 /nfs/dbraw/zinc/04/89/68/343048968.db2.gz RTISMAKCFQPJPH-QMMMGPOBSA-N 0 0 133.194 2.151 10 0 AEAERN CCCCC[C@@H]1C[C@@H]1CO 19057927 343049434 /nfs/dbraw/zinc/04/94/34/343049434.db2.gz UMKLIKDERXZTGQ-RKDXNWHRSA-N 0 0 142.242 2.195 10 0 AEAERN CCCCC[C@H]1C[C@H]1CO 19057935 343049511 /nfs/dbraw/zinc/04/95/11/343049511.db2.gz UMKLIKDERXZTGQ-IUCAKERBSA-N 0 0 142.242 2.195 10 0 AEAERN CCc1cccc(C)c1NC(N)=O 19265113 343052377 /nfs/dbraw/zinc/05/23/77/343052377.db2.gz DWGRPDFOTDQFRW-UHFFFAOYSA-N 0 0 178.235 2.048 10 0 AEAERN CCCCN(CC)c1ncccc1N 19278357 343052870 /nfs/dbraw/zinc/05/28/70/343052870.db2.gz GFIQBFCGCFOCBW-UHFFFAOYSA-N 0 0 193.294 2.290 10 0 AEAERN Cc1ccc(-n2ccc(N)n2)cc1C 19732214 343059563 /nfs/dbraw/zinc/05/95/63/343059563.db2.gz KZGLTCJLTSBCGP-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN O=C1CCOc2c1ccc1cnccc21 19925337 343064625 /nfs/dbraw/zinc/06/46/25/343064625.db2.gz MQXHLLZJYLCYLP-UHFFFAOYSA-N 0 0 199.209 2.200 10 0 AEAERN COc1ccc(OC[C@H]2CS2)cc1 20130569 343067514 /nfs/dbraw/zinc/06/75/14/343067514.db2.gz CQUOWASXBHIPSX-JTQLQIEISA-N 0 0 196.271 2.189 10 0 AEAERN Cc1ccc(OC[C@H]2CS2)cc1 20130523 343067863 /nfs/dbraw/zinc/06/78/63/343067863.db2.gz CQBGJLHBIWNMNK-JTQLQIEISA-N 0 0 180.272 2.489 10 0 AEAERN COc1ccc(OC[C@@H]2CS2)cc1 20130566 343067778 /nfs/dbraw/zinc/06/77/78/343067778.db2.gz CQUOWASXBHIPSX-SNVBAGLBSA-N 0 0 196.271 2.189 10 0 AEAERN Cc1ccc(OC[C@@H]2CS2)cc1 20130521 343067865 /nfs/dbraw/zinc/06/78/65/343067865.db2.gz CQBGJLHBIWNMNK-SNVBAGLBSA-N 0 0 180.272 2.489 10 0 AEAERN Cc1nn(C)c(C)c1N[C@H](C)C1CC1 20134988 343068103 /nfs/dbraw/zinc/06/81/03/343068103.db2.gz XHYMNZBHGDTKSW-SSDOTTSWSA-N 0 0 193.294 2.247 10 0 AEAERN CC[C@H](C)Nc1c(C)nn(C)c1C 20135503 343068145 /nfs/dbraw/zinc/06/81/45/343068145.db2.gz PWXZGVDPDXZTAN-ZETCQYMHSA-N 0 0 181.283 2.247 10 0 AEAERN Cc1nn(C)c(C)c1N[C@@H](C)C(C)C 20135083 343068164 /nfs/dbraw/zinc/06/81/64/343068164.db2.gz HTABHQVQOOWZRC-QMMMGPOBSA-N 0 0 195.310 2.493 10 0 AEAERN Cc1nn(C)c(C)c1NC1CCCC1 20134640 343068222 /nfs/dbraw/zinc/06/82/22/343068222.db2.gz DUGPMJBCPQJNDZ-UHFFFAOYSA-N 0 0 193.294 2.391 10 0 AEAERN Cc1nn(C)c(C)c1N[C@@H](C)C1CC1 20134991 343068288 /nfs/dbraw/zinc/06/82/88/343068288.db2.gz XHYMNZBHGDTKSW-ZETCQYMHSA-N 0 0 193.294 2.247 10 0 AEAERN OCc1ccc(OCC2CC2)c(F)c1 20435101 343073131 /nfs/dbraw/zinc/07/31/31/343073131.db2.gz ZIMQHLWXQZFQQT-UHFFFAOYSA-N 0 0 196.221 2.107 10 0 AEAERN C=C1OC=Nc2ccccc21 20984992 343075261 /nfs/dbraw/zinc/07/52/61/343075261.db2.gz VUWLSIKYQZXLJP-UHFFFAOYSA-N 0 0 145.161 2.347 10 0 AEAERN CC(C)Cc1nc2cc[nH]cc-2n1 21635736 343075562 /nfs/dbraw/zinc/07/55/62/343075562.db2.gz YIKZEPFCTKHEID-UHFFFAOYSA-N 0 0 175.235 2.156 10 0 AEAERN Cc1cc([C@H](C)O)c(C)s1 21951787 343075931 /nfs/dbraw/zinc/07/59/31/343075931.db2.gz FKEKPWOKGXMJBU-LURJTMIESA-N 0 0 156.250 2.418 10 0 AEAERN Cc1cc([C@@H](C)O)c(C)s1 21951785 343076164 /nfs/dbraw/zinc/07/61/64/343076164.db2.gz FKEKPWOKGXMJBU-ZCFIWIBFSA-N 0 0 156.250 2.418 10 0 AEAERN CCC(=O)Nc1cc(Cl)ccc1N 21962568 343076328 /nfs/dbraw/zinc/07/63/28/343076328.db2.gz TVKRLCZMKAJAAA-UHFFFAOYSA-N 0 0 198.653 2.271 10 0 AEAERN CC[C@@H](O)c1cc(Cl)ccc1O 21953281 343076368 /nfs/dbraw/zinc/07/63/68/343076368.db2.gz UQALHRNSVXZTRK-MRVPVSSYSA-N 0 0 186.638 2.489 10 0 AEAERN CC[C@H](O)c1cc(Cl)ccc1O 21953284 343076419 /nfs/dbraw/zinc/07/64/19/343076419.db2.gz UQALHRNSVXZTRK-QMMMGPOBSA-N 0 0 186.638 2.489 10 0 AEAERN Cc1c(N)ccc2cccnc12 21966911 343076534 /nfs/dbraw/zinc/07/65/34/343076534.db2.gz VPZHWWCRHGQAJC-UHFFFAOYSA-N 0 0 158.204 2.125 10 0 AEAERN CCCCc1cccnc1N 21985768 343076859 /nfs/dbraw/zinc/07/68/59/343076859.db2.gz TUQWHXBPLNZJJY-UHFFFAOYSA-N 0 0 150.225 2.006 10 0 AEAERN Cc1ccc2c(c1)CC(=S)N2 21990035 343077144 /nfs/dbraw/zinc/07/71/44/343077144.db2.gz YEPDEDLPPLWRPN-UHFFFAOYSA-N 0 0 163.245 2.290 10 0 AEAERN CCCC1(C)C(=O)CCCC1=O 21997983 343077232 /nfs/dbraw/zinc/07/72/32/343077232.db2.gz CUXXLAGACQTNCN-UHFFFAOYSA-N 0 0 168.236 2.115 10 0 AEAERN Cc1c(C)c2ccccc2oc1=O 22003489 343077694 /nfs/dbraw/zinc/07/76/94/343077694.db2.gz LOSXCMMIKDHEHC-UHFFFAOYSA-N 0 0 174.199 2.410 10 0 AEAERN CN(C)c1ccc2cccnc2c1 21998780 343077782 /nfs/dbraw/zinc/07/77/82/343077782.db2.gz ANCZVOOHEGJTBO-UHFFFAOYSA-N 0 0 172.231 2.301 10 0 AEAERN CC[C@@]12C=CC=CC1=NC=C2CCO 22116371 343078762 /nfs/dbraw/zinc/07/87/62/343078762.db2.gz YUPYFOYFZSTCKA-LBPRGKRZSA-N 0 0 189.258 2.230 10 0 AEAERN CC[C@]12C=CC=CC1=NC=C2CCO 22116375 343078962 /nfs/dbraw/zinc/07/89/62/343078962.db2.gz YUPYFOYFZSTCKA-GFCCVEGCSA-N 0 0 189.258 2.230 10 0 AEAERN CCC(C)(C)Nc1ccc(N)cn1 22146839 343079664 /nfs/dbraw/zinc/07/96/64/343079664.db2.gz FDBMQKZTKQHMKI-UHFFFAOYSA-N 0 0 179.267 2.264 10 0 AEAERN COC(=O)C1[C@H]2CCCCCC[C@H]12 22204179 343080600 /nfs/dbraw/zinc/08/06/00/343080600.db2.gz FOVIUQDFFNBZFF-IUCAKERBSA-N 0 0 182.263 2.376 10 0 AEAERN COC(=O)C1[C@@H]2CCCCCC[C@@H]12 22204182 343080990 /nfs/dbraw/zinc/08/09/90/343080990.db2.gz FOVIUQDFFNBZFF-RKDXNWHRSA-N 0 0 182.263 2.376 10 0 AEAERN Cc1cc2nc(C=O)n(C)c2cc1C 22863662 343082287 /nfs/dbraw/zinc/08/22/87/343082287.db2.gz SVEQBWBWFQRPGB-UHFFFAOYSA-N 0 0 188.230 2.003 10 0 AEAERN C=Cc1n[nH]c2ccccc12 24553727 343085973 /nfs/dbraw/zinc/08/59/73/343085973.db2.gz ULHIQSSXUYRECA-UHFFFAOYSA-N 0 0 144.177 2.206 10 0 AEAERN CCc1n[nH]c2c1CCCC2 24538464 343086040 /nfs/dbraw/zinc/08/60/40/343086040.db2.gz ANWGMXGFWQIXKT-ZETCQYMHSA-N 0 0 150.225 2.397 10 0 AEAERN CC1=CCOc2ccccc21 24601729 343086052 /nfs/dbraw/zinc/08/60/52/343086052.db2.gz KTFBBRWUJNKOLY-UHFFFAOYSA-N 0 0 146.189 2.482 10 0 AEAERN CCc1n[nH]c2c1CCCC2 24538467 343086104 /nfs/dbraw/zinc/08/61/04/343086104.db2.gz ANWGMXGFWQIXKT-SSDOTTSWSA-N 0 0 150.225 2.397 10 0 AEAERN Cc1ccnc2c1CCC=C2 24628562 343086512 /nfs/dbraw/zinc/08/65/12/343086512.db2.gz HIVJVMNCXCNYCH-UHFFFAOYSA-N 0 0 145.205 2.349 10 0 AEAERN O[C@@H]1CCCC2=C1CCCC2 24631533 343086521 /nfs/dbraw/zinc/08/65/21/343086521.db2.gz LJPUSAZSFVBZNJ-SNVBAGLBSA-N 0 0 152.237 2.402 10 0 AEAERN O[C@H]1CCCC2=C1CCCC2 24631539 343086624 /nfs/dbraw/zinc/08/66/24/343086624.db2.gz LJPUSAZSFVBZNJ-JTQLQIEISA-N 0 0 152.237 2.402 10 0 AEAERN C[C@H]1CCc2ncccc21 25920487 343087520 /nfs/dbraw/zinc/08/75/20/343087520.db2.gz NYYIPACQAZRSHZ-ZETCQYMHSA-N 0 0 133.194 2.131 10 0 AEAERN O=C1C[C@H]2CCCCC[C@H]12 26258799 343087775 /nfs/dbraw/zinc/08/77/75/343087775.db2.gz PUBNEQJXUOCEBH-SFYZADRCSA-N 0 0 138.210 2.156 10 0 AEAERN O=C1C[C@@H]2CCCCC[C@H]12 26258792 343087811 /nfs/dbraw/zinc/08/78/11/343087811.db2.gz PUBNEQJXUOCEBH-YUMQZZPRSA-N 0 0 138.210 2.156 10 0 AEAERN CCc1nc2cc(OC)ccc2[nH]1 26440546 343087851 /nfs/dbraw/zinc/08/78/51/343087851.db2.gz AAXILYPOZBBCEU-UHFFFAOYSA-N 0 0 176.219 2.134 10 0 AEAERN O=C1C[C@@H]2CCCCC[C@@H]12 26258804 343088002 /nfs/dbraw/zinc/08/80/02/343088002.db2.gz PUBNEQJXUOCEBH-JGVFFNPUSA-N 0 0 138.210 2.156 10 0 AEAERN O=C1C[C@H]2CCCCC[C@@H]12 26258811 343087888 /nfs/dbraw/zinc/08/78/88/343087888.db2.gz PUBNEQJXUOCEBH-HTQZYQBOSA-N 0 0 138.210 2.156 10 0 AEAERN CC(C)c1nc2cc[nH]cc-2n1 26439581 343088072 /nfs/dbraw/zinc/08/80/72/343088072.db2.gz HRBADQYNYDEPJK-UHFFFAOYSA-N 0 0 161.208 2.081 10 0 AEAERN Cc1cc(C)c2nc([C@H](C)O)[nH]c2c1 26462289 343088199 /nfs/dbraw/zinc/08/81/99/343088199.db2.gz XHTUEYXHHUGVLN-QMMMGPOBSA-N 0 0 190.246 2.233 10 0 AEAERN Cc1cc(=S)[nH]c(N2CCCC2)n1 26443761 343088249 /nfs/dbraw/zinc/08/82/49/343088249.db2.gz QKLCEOPZVVMSPP-UHFFFAOYSA-N 0 0 195.291 2.048 10 0 AEAERN Cc1cc(C)c2nc([C@@H](C)O)[nH]c2c1 26462284 343088294 /nfs/dbraw/zinc/08/82/94/343088294.db2.gz XHTUEYXHHUGVLN-MRVPVSSYSA-N 0 0 190.246 2.233 10 0 AEAERN CCc1ccc2[nH]c([C@H](C)O)nc2c1 26462013 343088305 /nfs/dbraw/zinc/08/83/05/343088305.db2.gz OWNUBWXUUKFSGO-ZETCQYMHSA-N 0 0 190.246 2.179 10 0 AEAERN Cc1ccccc1-c1cncnc1N 26466050 343088318 /nfs/dbraw/zinc/08/83/18/343088318.db2.gz CIEUOOOPKQIEOY-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CCc1ccc2[nH]c([C@@H](C)O)nc2c1 26462009 343088528 /nfs/dbraw/zinc/08/85/28/343088528.db2.gz OWNUBWXUUKFSGO-SSDOTTSWSA-N 0 0 190.246 2.179 10 0 AEAERN C[C@H]1CNc2cc(N)ccc2S1 26509615 343088605 /nfs/dbraw/zinc/08/86/05/343088605.db2.gz PDUSJDAJBQTMCW-LURJTMIESA-N 0 0 180.276 2.175 10 0 AEAERN Cc1ccc2[nH]cc3c(=O)[nH]nc-3c2c1 26507429 343088726 /nfs/dbraw/zinc/08/87/26/343088726.db2.gz VOXOWGYGTJNONN-UHFFFAOYSA-N 0 0 199.213 2.125 10 0 AEAERN Cc1c(-c2ccc(F)cc2)noc1N 26512500 343089113 /nfs/dbraw/zinc/08/91/13/343089113.db2.gz LLOWFKFLTZONJM-UHFFFAOYSA-N 0 0 192.193 2.371 10 0 AEAERN CCc1c(-c2ccco2)noc1N 26512608 343089139 /nfs/dbraw/zinc/08/91/39/343089139.db2.gz ANRJJEKTUFWTEO-UHFFFAOYSA-N 0 0 178.191 2.079 10 0 AEAERN Cc1c(-c2ccccc2F)noc1N 26512481 343089320 /nfs/dbraw/zinc/08/93/20/343089320.db2.gz NYTJGBWVTKDFKS-UHFFFAOYSA-N 0 0 192.193 2.371 10 0 AEAERN Cc1c(-c2ccsc2)noc1N 26512644 343089343 /nfs/dbraw/zinc/08/93/43/343089343.db2.gz QKRSRQNJNRLRKB-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN CC(C)[C@@H](C)Nc1ncccc1N 26516014 343089705 /nfs/dbraw/zinc/08/97/05/343089705.db2.gz LIOOJFIPJWSDNX-MRVPVSSYSA-N 0 0 179.267 2.120 10 0 AEAERN CCC(C)(C)Nc1ncccc1N 26516012 343089710 /nfs/dbraw/zinc/08/97/10/343089710.db2.gz FWWXIMIYJYYIMI-UHFFFAOYSA-N 0 0 179.267 2.264 10 0 AEAERN CC(C)[C@@H](C)Nc1ccc(N)cn1 26516018 343089717 /nfs/dbraw/zinc/08/97/17/343089717.db2.gz UUCIIYKRLLFDLF-MRVPVSSYSA-N 0 0 179.267 2.120 10 0 AEAERN Cc1cccc(-c2ncccn2)c1 26544519 343089760 /nfs/dbraw/zinc/08/97/60/343089760.db2.gz WAMFIVMJCIVTIW-UHFFFAOYSA-N 0 0 170.215 2.452 10 0 AEAERN CC(C)[C@H](C)Nc1ncccc1N 26516016 343089777 /nfs/dbraw/zinc/08/97/77/343089777.db2.gz LIOOJFIPJWSDNX-QMMMGPOBSA-N 0 0 179.267 2.120 10 0 AEAERN Cc1nn(C(C)C)c(C)c1[C@@H](C)O 26546778 343089841 /nfs/dbraw/zinc/08/98/41/343089841.db2.gz SIMMYSCINQQJDZ-SECBINFHSA-N 0 0 182.267 2.134 10 0 AEAERN CCC(=O)c1cnn(C(C)C)c1 26545719 343089878 /nfs/dbraw/zinc/08/98/78/343089878.db2.gz PMNAMPWUPMFBRC-UHFFFAOYSA-N 0 0 166.224 2.057 10 0 AEAERN CCC(=O)c1c(C)nn(CC)c1C 26545700 343089888 /nfs/dbraw/zinc/08/98/88/343089888.db2.gz UNQCQQHSOHOXFD-UHFFFAOYSA-N 0 0 180.251 2.113 10 0 AEAERN Cc1nn(C(C)C)c(C)c1[C@H](C)O 26546780 343090003 /nfs/dbraw/zinc/09/00/03/343090003.db2.gz SIMMYSCINQQJDZ-VIFPVBQESA-N 0 0 182.267 2.134 10 0 AEAERN CCCCn1ccc(CC)n1 26547555 343090200 /nfs/dbraw/zinc/09/02/00/343090200.db2.gz HHMIDHUIPRDSME-UHFFFAOYSA-N 0 0 152.241 2.246 10 0 AEAERN CCCCC1N=NC(=S)S1 26549115 343090290 /nfs/dbraw/zinc/09/02/90/343090290.db2.gz YCSKCFNAZMHYAL-UHFFFAOYSA-N 0 0 174.294 2.169 10 0 AEAERN CC(C)CC1N=NC(=S)S1 26549142 343090374 /nfs/dbraw/zinc/09/03/74/343090374.db2.gz SSVHMUZCBKRAPS-UHFFFAOYSA-N 0 0 174.294 2.025 10 0 AEAERN Cc1nc2ccccn2c1N=O 27093637 343090811 /nfs/dbraw/zinc/09/08/11/343090811.db2.gz DGQBEXZYCLITKR-UHFFFAOYSA-N 0 0 161.164 2.041 10 0 AEAERN CC(C)c1ccc2nc[nH]c(=O)c2c1 27986786 343091255 /nfs/dbraw/zinc/09/12/55/343091255.db2.gz UVJOZVNJHJVGRR-UHFFFAOYSA-N 0 0 188.230 2.047 10 0 AEAERN CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCCO)C2 31362100 343093201 /nfs/dbraw/zinc/09/32/01/343093201.db2.gz IWWCSDGEIDYEJV-JBLDHEPKSA-N 0 0 198.306 2.210 10 0 AEAERN Cc1ccc(N=O)cc1 31483495 343093399 /nfs/dbraw/zinc/09/33/99/343093399.db2.gz NYJYFSGMYHSTNZ-UHFFFAOYSA-N 0 0 121.139 2.393 10 0 AEAERN CC(C)[C@H]1C=CC(CO)=CC1 32150828 343098658 /nfs/dbraw/zinc/09/86/58/343098658.db2.gz QPHLFYOPLZARDQ-JTQLQIEISA-N 0 0 152.237 2.137 10 0 AEAERN CCC(=O)c1ccc2c(c1)ncn2C 31893096 343094153 /nfs/dbraw/zinc/09/41/53/343094153.db2.gz PGTQILQCQDBVQH-UHFFFAOYSA-N 0 0 188.230 2.166 10 0 AEAERN CCC(=O)c1ccc2c(c1)CCN2 31947534 343094610 /nfs/dbraw/zinc/09/46/10/343094610.db2.gz RYWHMHCGWJMKFU-UHFFFAOYSA-N 0 0 175.231 2.247 10 0 AEAERN Cc1nc2sc(C)c(C)n2c1C=O 31974646 343094633 /nfs/dbraw/zinc/09/46/33/343094633.db2.gz PDZGWAAZYFVFJD-UHFFFAOYSA-N 0 0 194.259 2.134 10 0 AEAERN CC[C@H](O)c1cnc2c(C)cccn12 31933369 343094725 /nfs/dbraw/zinc/09/47/25/343094725.db2.gz QERNHUMRIBBTOS-JTQLQIEISA-N 0 0 190.246 2.086 10 0 AEAERN CCCC(=O)Oc1ccccc1C=O 31975715 343094863 /nfs/dbraw/zinc/09/48/63/343094863.db2.gz MTFFWHAGOMKAGC-UHFFFAOYSA-N 0 0 192.214 2.205 10 0 AEAERN C[C@H](c1ccc(N)cc1)n1ccnc1 31992535 343095141 /nfs/dbraw/zinc/09/51/41/343095141.db2.gz JZLTWGKFVJMPJU-SECBINFHSA-N 0 0 187.246 2.075 10 0 AEAERN C[C@H](c1cccc(N)c1)n1ccnc1 31992540 343095427 /nfs/dbraw/zinc/09/54/27/343095427.db2.gz YWUJIYFQRMFZHA-SECBINFHSA-N 0 0 187.246 2.075 10 0 AEAERN CC[C@@H](O)CCc1ccccc1 32006273 343095634 /nfs/dbraw/zinc/09/56/34/343095634.db2.gz NFHFXJDPAATBQI-LLVKDONJSA-N 0 0 164.248 2.390 10 0 AEAERN CCC(=O)c1ccc(N)c(C)c1 32006216 343095672 /nfs/dbraw/zinc/09/56/72/343095672.db2.gz HPKJGSMMUGROPB-UHFFFAOYSA-N 0 0 163.220 2.170 10 0 AEAERN CC[C@H](O)Cc1cccc(C)c1 32006306 343095689 /nfs/dbraw/zinc/09/56/89/343095689.db2.gz HCEINVQMALKHRT-NSHDSACASA-N 0 0 164.248 2.308 10 0 AEAERN CCc1ccc(C(C)=O)cc1N 32006170 343095713 /nfs/dbraw/zinc/09/57/13/343095713.db2.gz PBLQRTNIIILCNO-UHFFFAOYSA-N 0 0 163.220 2.034 10 0 AEAERN CC[C@H](O)Cc1ccccc1C 32006302 343095742 /nfs/dbraw/zinc/09/57/42/343095742.db2.gz VIQQKEOGNRVAQK-NSHDSACASA-N 0 0 164.248 2.308 10 0 AEAERN Cc1cc(C(=O)C(C)C)ccc1N 32007028 343095946 /nfs/dbraw/zinc/09/59/46/343095946.db2.gz UFLSEHSNYBZDLM-UHFFFAOYSA-N 0 0 177.247 2.416 10 0 AEAERN CCc1ccccc1NC[C@H](C)O 32007355 343096079 /nfs/dbraw/zinc/09/60/79/343096079.db2.gz NXWLZGCMXHUIOK-VIFPVBQESA-N 0 0 179.263 2.042 10 0 AEAERN Cc1cccc(C[C@@H](O)C2CC2)c1 32006926 343096082 /nfs/dbraw/zinc/09/60/82/343096082.db2.gz OCGBHZHOBWCIMR-GFCCVEGCSA-N 0 0 176.259 2.308 10 0 AEAERN Cc1ccc(NCC(C)(C)O)cc1 32007363 343096159 /nfs/dbraw/zinc/09/61/59/343096159.db2.gz UQHFTEBWYTVEAS-UHFFFAOYSA-N 0 0 179.263 2.178 10 0 AEAERN CCc1ccccc1NC[C@@H](C)O 32007353 343096169 /nfs/dbraw/zinc/09/61/69/343096169.db2.gz NXWLZGCMXHUIOK-SECBINFHSA-N 0 0 179.263 2.042 10 0 AEAERN CC(C)[C@H](O)Cc1ccccc1F 32007591 343096271 /nfs/dbraw/zinc/09/62/71/343096271.db2.gz QGAKJWQPNLANHM-LLVKDONJSA-N 0 0 182.238 2.385 10 0 AEAERN CC(C)[C@@H](O)Cc1ccccc1F 32007590 343096351 /nfs/dbraw/zinc/09/63/51/343096351.db2.gz QGAKJWQPNLANHM-NSHDSACASA-N 0 0 182.238 2.385 10 0 AEAERN CC(C)[C@@H](O)Cc1cccc(F)c1 32007593 343096363 /nfs/dbraw/zinc/09/63/63/343096363.db2.gz HUUHIISYMROICE-NSHDSACASA-N 0 0 182.238 2.385 10 0 AEAERN C[C@H](O)CNc1ccccc1Cl 32007881 343096419 /nfs/dbraw/zinc/09/64/19/343096419.db2.gz CIHPAQAQIAJSFL-ZETCQYMHSA-N 0 0 185.654 2.133 10 0 AEAERN C[C@H](O)CNc1ccc(Cl)cc1 32007888 343096485 /nfs/dbraw/zinc/09/64/85/343096485.db2.gz ZJQJJRAOBNZRIF-ZETCQYMHSA-N 0 0 185.654 2.133 10 0 AEAERN Cc1ccc(NCC(C)(C)O)c(C)c1 32008822 343096724 /nfs/dbraw/zinc/09/67/24/343096724.db2.gz ODGSNQQAYLGXAA-UHFFFAOYSA-N 0 0 193.290 2.486 10 0 AEAERN CCc1ccc(NCC(C)(C)O)cc1 32008834 343096844 /nfs/dbraw/zinc/09/68/44/343096844.db2.gz HYJYSFVDELHZLQ-UHFFFAOYSA-N 0 0 193.290 2.432 10 0 AEAERN CCc1ccc(N)cc1N1CCCC1 32008325 343096859 /nfs/dbraw/zinc/09/68/59/343096859.db2.gz MAGKGDCVWASFHV-UHFFFAOYSA-N 0 0 190.290 2.431 10 0 AEAERN Cc1cccc(C)c1NCC(C)(C)O 32008829 343096917 /nfs/dbraw/zinc/09/69/17/343096917.db2.gz XDONHZMBMCHLIC-UHFFFAOYSA-N 0 0 193.290 2.486 10 0 AEAERN Cc1c(Cl)cccc1NC[C@H](C)O 32009847 343097124 /nfs/dbraw/zinc/09/71/24/343097124.db2.gz VIQAXUCJDOLIPC-ZETCQYMHSA-N 0 0 199.681 2.441 10 0 AEAERN CC[C@H](O)CCOc1ccc(F)cc1 32009640 343097132 /nfs/dbraw/zinc/09/71/32/343097132.db2.gz OVDZTBWRMPBYQT-JTQLQIEISA-N 0 0 198.237 2.366 10 0 AEAERN Cc1ccc(NC[C@@H](C)O)cc1Cl 32009855 343097202 /nfs/dbraw/zinc/09/72/02/343097202.db2.gz ZBZRKRRERISZSO-MRVPVSSYSA-N 0 0 199.681 2.441 10 0 AEAERN Cc1c(Cl)cccc1NC[C@@H](C)O 32009846 343097242 /nfs/dbraw/zinc/09/72/42/343097242.db2.gz VIQAXUCJDOLIPC-SSDOTTSWSA-N 0 0 199.681 2.441 10 0 AEAERN Cc1cc(Cl)ccc1NC[C@@H](C)O 32009852 343097271 /nfs/dbraw/zinc/09/72/71/343097271.db2.gz AXTCQDPJWVOAKD-MRVPVSSYSA-N 0 0 199.681 2.441 10 0 AEAERN CC(C)(O)CC[C@@H](O)c1ccccc1 32133215 343097695 /nfs/dbraw/zinc/09/76/95/343097695.db2.gz RHVOYGKBSARZEZ-LLVKDONJSA-N 0 0 194.274 2.271 10 0 AEAERN CCc1cccc2c(NN)ccnc12 32099467 343097757 /nfs/dbraw/zinc/09/77/57/343097757.db2.gz CIFDJLLMWCLPQL-UHFFFAOYSA-N 0 0 187.246 2.083 10 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/nfs/dbraw/zinc/09/93/35/343099335.db2.gz GEZMLJLTFFWDJF-UHFFFAOYSA-N 0 0 189.214 2.231 10 0 AEAERN C[C@]1(c2ccccc2)C=CC(=O)O1 32168286 343099340 /nfs/dbraw/zinc/09/93/40/343099340.db2.gz JNYXOXHKFXEQMJ-LLVKDONJSA-N 0 0 174.199 2.015 10 0 AEAERN CCC(=O)N[C@H]1C[C@@H]1c1ccccc1 32168716 343099391 /nfs/dbraw/zinc/09/93/91/343099391.db2.gz QKVSSGDUTKNRRT-MNOVXSKESA-N 0 0 189.258 2.069 10 0 AEAERN CCCCCC[C@@H](C)NC(C)=O 32167513 343099430 /nfs/dbraw/zinc/09/94/30/343099430.db2.gz DNVCVNWQDMXRNF-SECBINFHSA-N 0 0 171.284 2.481 10 0 AEAERN CCCN(C)C(=O)c1ccccc1 32164871 343099468 /nfs/dbraw/zinc/09/94/68/343099468.db2.gz AEYBXFRYLBPSBB-UHFFFAOYSA-N 0 0 177.247 2.169 10 0 AEAERN C[C@H](CO)c1ccc(Cl)cc1 32178366 343099816 /nfs/dbraw/zinc/09/98/16/343099816.db2.gz URHWBOQMDQIEDG-SSDOTTSWSA-N 0 0 170.639 2.436 10 0 in-vitro AEAERN COC1=C2CCCC[C@H]2CCC1=O 32182820 343100128 /nfs/dbraw/zinc/10/01/28/343100128.db2.gz BNANBAKHPCHNTA-QMMMGPOBSA-N 0 0 180.247 2.440 10 0 AEAERN COC1=C2CCCC[C@@H]2CCC1=O 32182818 343100131 /nfs/dbraw/zinc/10/01/31/343100131.db2.gz BNANBAKHPCHNTA-MRVPVSSYSA-N 0 0 180.247 2.440 10 0 AEAERN CCc1cc2cccnc2[nH]1 32188805 343100144 /nfs/dbraw/zinc/10/01/44/343100144.db2.gz NPTVWPJFZZCZOI-UHFFFAOYSA-N 0 0 146.193 2.125 10 0 AEAERN Cc1ccc(C)c2nccnc12 32197298 343100401 /nfs/dbraw/zinc/10/04/01/343100401.db2.gz DJKCYDWCXGFKKL-UHFFFAOYSA-N 0 0 158.204 2.247 10 0 AEAERN CC1(C)CC(=O)Oc2ccccc21 32200604 343100472 /nfs/dbraw/zinc/10/04/72/343100472.db2.gz ZBSFDCKGUFSQLN-UHFFFAOYSA-N 0 0 176.215 2.273 10 0 AEAERN Cc1ccc2ccc(C)nc2n1 32197315 343100615 /nfs/dbraw/zinc/10/06/15/343100615.db2.gz IVOPVBBXMWVCHV-UHFFFAOYSA-N 0 0 158.204 2.247 10 0 AEAERN c1ccc2c(c1)ccn1ccnc21 32207738 343100855 /nfs/dbraw/zinc/10/08/55/343100855.db2.gz BYLPZVAKOZYZPH-UHFFFAOYSA-N 0 0 168.199 2.488 10 0 AEAERN CCC(=O)c1ccccc1C(=O)OC 32202360 343100947 /nfs/dbraw/zinc/10/09/47/343100947.db2.gz PJVVSYKDAYJZCV-UHFFFAOYSA-N 0 0 192.214 2.066 10 0 AEAERN CC1(C)Oc2ccc(C=O)cc2O1 32202782 343100962 /nfs/dbraw/zinc/10/09/62/343100962.db2.gz DVERJBIPBLPJQR-UHFFFAOYSA-N 0 0 178.187 2.006 10 0 AEAERN CCCC[C@H](O)[C@H](O)CCCC 32215320 343101023 /nfs/dbraw/zinc/10/10/23/343101023.db2.gz FUGIIBWTNARRSF-AOOOYVTPSA-N 0 0 174.284 2.089 10 0 AEAERN CCCC[C@H](O)[C@@H](O)CCCC 32215323 343101133 /nfs/dbraw/zinc/10/11/33/343101133.db2.gz FUGIIBWTNARRSF-UWVGGRQHSA-N 0 0 174.284 2.089 10 0 AEAERN O=P1(c2ccccc2)CCCC1 32221443 343101147 /nfs/dbraw/zinc/10/11/47/343101147.db2.gz JPSNHKXDQRWRHR-UHFFFAOYSA-N 0 0 180.187 2.469 10 0 AEAERN Fc1cc(-c2ccccc2)ncn1 32220084 343101218 /nfs/dbraw/zinc/10/12/18/343101218.db2.gz KQVKTNXADLUZQZ-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN CC1(C)CCC(C)(C)C1O 32219148 343101371 /nfs/dbraw/zinc/10/13/71/343101371.db2.gz FMQQHUIBLYKXFA-UHFFFAOYSA-N 0 0 142.242 2.194 10 0 AEAERN CCCC[C@@H](O)[C@H](O)CCCC 32215326 343101373 /nfs/dbraw/zinc/10/13/73/343101373.db2.gz FUGIIBWTNARRSF-NXEZZACHSA-N 0 0 174.284 2.089 10 0 AEAERN CCc1[nH]c2nc(N)ccc2c1CC 32220126 343101375 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C[C@H](CO)Nc1ccc(Cl)cc1 34333941 343116731 /nfs/dbraw/zinc/11/67/31/343116731.db2.gz IYSYAEXVVQKNLO-SSDOTTSWSA-N 0 0 185.654 2.133 10 0 AEAERN CCC(=O)c1cc(CC)ccc1N 34363171 343117299 /nfs/dbraw/zinc/11/72/99/343117299.db2.gz VNHIPOJXFNFOAD-UHFFFAOYSA-N 0 0 177.247 2.424 10 0 AEAERN Cc1cnc2c(c1)CCC=C2 34381554 343117659 /nfs/dbraw/zinc/11/76/59/343117659.db2.gz RSMDRDLCIBYIQQ-UHFFFAOYSA-N 0 0 145.205 2.349 10 0 AEAERN C=C/C(C)=C/OCC 34370899 343117743 /nfs/dbraw/zinc/11/77/43/343117743.db2.gz CIYMVBHNMGFWGC-VOTSOKGWSA-N 0 0 112.172 2.113 10 0 AEAERN CC(C)Oc1ccc2[nH]ccc2n1 34372992 343117851 /nfs/dbraw/zinc/11/78/51/343117851.db2.gz NQBFACBGCRDMCA-UHFFFAOYSA-N 0 0 176.219 2.350 10 0 AEAERN c1ccc(COCC[C@H]2CCO2)cc1 34408481 343118093 /nfs/dbraw/zinc/11/80/93/343118093.db2.gz LFOXGOZOJGVSRR-LBPRGKRZSA-N 0 0 192.258 2.382 10 0 AEAERN Cc1cc(C)c(C=O)c(C)c1O 34386740 343118183 /nfs/dbraw/zinc/11/81/83/343118183.db2.gz HNSDBWICCAHBJB-UHFFFAOYSA-N 0 0 164.204 2.130 10 0 AEAERN c1ccc(COCC[C@@H]2CCO2)cc1 34408480 343118191 /nfs/dbraw/zinc/11/81/91/343118191.db2.gz LFOXGOZOJGVSRR-GFCCVEGCSA-N 0 0 192.258 2.382 10 0 AEAERN O=Cc1cn(CC2CCCCC2)cn1 34408485 343118221 /nfs/dbraw/zinc/11/82/21/343118221.db2.gz MDXPTIVKKPKJGE-UHFFFAOYSA-N 0 0 192.262 2.276 10 0 AEAERN C[C@H](CO)CSc1ccccc1 34408361 343118227 /nfs/dbraw/zinc/11/82/27/343118227.db2.gz FSBDYYMRMLIABE-SECBINFHSA-N 0 0 182.288 2.407 10 0 AEAERN CC[C@@H]1C(=O)Nc2cc(F)ccc21 34408309 343118277 /nfs/dbraw/zinc/11/82/77/343118277.db2.gz BVZNKUYNMMSHDX-ZETCQYMHSA-N 0 0 179.194 2.271 10 0 AEAERN CNc1cc(OC)ccc1C 34410064 343118302 /nfs/dbraw/zinc/11/83/02/343118302.db2.gz WDNKYGMHNZSBFE-UHFFFAOYSA-N 0 0 151.209 2.045 10 0 AEAERN Cc1ccc2c(c1)OCCCO2 34410391 343118547 /nfs/dbraw/zinc/11/85/47/343118547.db2.gz VLHHRFAANFDHFC-UHFFFAOYSA-N 0 0 164.204 2.156 10 0 AEAERN COC(C)(C)C(=O)c1ccccc1 34411445 343118568 /nfs/dbraw/zinc/11/85/68/343118568.db2.gz KBGLHLPXBRTRNW-UHFFFAOYSA-N 0 0 178.231 2.294 10 0 AEAERN C[C@H](CO)Oc1cccc(Cl)c1 34427597 343118930 /nfs/dbraw/zinc/11/89/30/343118930.db2.gz PPPINLHECKYRRH-SSDOTTSWSA-N 0 0 186.638 2.100 10 0 AEAERN C=Cc1ccc(Cl)cc1C(N)=O 34469305 343119721 /nfs/dbraw/zinc/11/97/21/343119721.db2.gz KXCKIVKXZCQCSW-UHFFFAOYSA-N 0 0 181.622 2.082 10 0 AEAERN CC[C@@H]1Cc2ccccc2N1 34448368 343119301 /nfs/dbraw/zinc/11/93/01/343119301.db2.gz VNAFMHREFHINGY-SECBINFHSA-N 0 0 147.221 2.433 10 0 AEAERN CCc1ccc(C=O)c(OC)c1 34477523 343119746 /nfs/dbraw/zinc/11/97/46/343119746.db2.gz KBGKWYXQHWKSSL-UHFFFAOYSA-N 0 0 164.204 2.070 10 0 AEAERN CCc1cc(Cl)nnc1C 34447621 343119353 /nfs/dbraw/zinc/11/93/53/343119353.db2.gz HTPNMWQUBJFGGQ-UHFFFAOYSA-N 0 0 156.616 2.001 10 0 AEAERN Nc1ccc(-c2ccncc2)cc1O 34464351 343119656 /nfs/dbraw/zinc/11/96/56/343119656.db2.gz RMRJKEJNNLMCGQ-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN CC[C@@](C)(O)C=C(C)C 34464504 343119787 /nfs/dbraw/zinc/11/97/87/343119787.db2.gz XQAVXPWVZUMWMB-MRVPVSSYSA-N 0 0 128.215 2.114 10 0 AEAERN CCCCCCO[C@@H](C)NC(C)=O 34466324 343119788 /nfs/dbraw/zinc/11/97/88/343119788.db2.gz XAGVPCNJMRXHPW-JTQLQIEISA-N 0 0 187.283 2.065 10 0 AEAERN CC[C@](C)(O)C=C(C)C 34464503 343119799 /nfs/dbraw/zinc/11/97/99/343119799.db2.gz XQAVXPWVZUMWMB-QMMMGPOBSA-N 0 0 128.215 2.114 10 0 AEAERN C/C(=C\CO)CCC(C)C 34477469 343119822 /nfs/dbraw/zinc/11/98/22/343119822.db2.gz NWFHPQLLNPKOJV-RMKNXTFCSA-N 0 0 142.242 2.361 10 0 AEAERN C[C@]1(Cl)OC(=O)O[C@]1(C)Cl 34484571 343119922 /nfs/dbraw/zinc/11/99/22/343119922.db2.gz CYWTZUGZRSAQEN-WHFBIAKZSA-N 0 0 185.006 2.063 10 0 in-vitro AEAERN CC(C)(O)CCc1cccc(O)c1 34479655 343120012 /nfs/dbraw/zinc/12/00/12/343120012.db2.gz ZROAQJZSWOMXLR-UHFFFAOYSA-N 0 0 180.247 2.096 10 0 AEAERN C[C@@]1(Cl)OC(=O)O[C@@]1(C)Cl 34484572 343120035 /nfs/dbraw/zinc/12/00/35/343120035.db2.gz CYWTZUGZRSAQEN-RFZPGFLSSA-N 0 0 185.006 2.063 10 0 in-vitro AEAERN C[C@H](O)c1nccc2ccccc12 34479366 343120064 /nfs/dbraw/zinc/12/00/64/343120064.db2.gz KVPWEPKQZVFAMW-QMMMGPOBSA-N 0 0 173.215 2.288 10 0 AEAERN C[C@@]1(Cl)OC(=O)O[C@]1(C)Cl 34484570 343120201 /nfs/dbraw/zinc/12/02/01/343120201.db2.gz CYWTZUGZRSAQEN-SYDPRGILSA-N 0 0 185.006 2.063 10 0 in-vitro AEAERN Cc1ccc(-n2ccccc2=O)cc1 34500419 343120425 /nfs/dbraw/zinc/12/04/25/343120425.db2.gz QSHAMMNTKISIFS-UHFFFAOYSA-N 0 0 185.226 2.146 10 0 AEAERN Cc1nc(N)c2c(Cl)cccc2n1 34493637 343120455 /nfs/dbraw/zinc/12/04/55/343120455.db2.gz SEOKQHDRHAPKJV-UHFFFAOYSA-N 0 0 193.637 2.174 10 0 AEAERN CC(=O)O[C@@H]1C=CC=CCCC1 34518978 343120694 /nfs/dbraw/zinc/12/06/94/343120694.db2.gz IHUITLQYQFZKSK-SNVBAGLBSA-N 0 0 166.220 2.214 10 0 AEAERN Cc1cc(C=O)c(Cl)cc1[N+](=O)[O-] 34501786 343120696 /nfs/dbraw/zinc/12/06/96/343120696.db2.gz QDLICMFWZGHBFX-UHFFFAOYSA-N 0 0 199.593 2.369 10 0 AEAERN CC(=O)O[C@H]1C=CC=CCCC1 34518977 343120712 /nfs/dbraw/zinc/12/07/12/343120712.db2.gz IHUITLQYQFZKSK-JTQLQIEISA-N 0 0 166.220 2.214 10 0 AEAERN CC(C)c1cc2ccccn2n1 34518935 343120762 /nfs/dbraw/zinc/12/07/62/343120762.db2.gz YDLUHABALCALTM-UHFFFAOYSA-N 0 0 160.220 2.458 10 0 in-vitro AEAERN S=C1CC[C@@H](c2ccccc2)N1 34514928 343120804 /nfs/dbraw/zinc/12/08/04/343120804.db2.gz GUCFLOJYYAMVPQ-VIFPVBQESA-N 0 0 177.272 2.439 10 0 AEAERN CC[C@@H](CO)c1ccccc1C 34514679 343120862 /nfs/dbraw/zinc/12/08/62/343120862.db2.gz YWRNYPBVYLYTCX-JTQLQIEISA-N 0 0 164.248 2.481 10 0 AEAERN Cc1c[nH]c2c(O)cccc12 34505158 343120888 /nfs/dbraw/zinc/12/08/88/343120888.db2.gz AIMWCCSARFYZCK-UHFFFAOYSA-N 0 0 147.177 2.182 10 0 AEAERN C[C@H]1COc2ccccc2C1 34530881 343121030 /nfs/dbraw/zinc/12/10/30/343121030.db2.gz YTJAYQWSYFTVKX-MRVPVSSYSA-N 0 0 148.205 2.258 10 0 AEAERN Cc1cc(Cl)c(C#N)cc1[N+](=O)[O-] 34529644 343121063 /nfs/dbraw/zinc/12/10/63/343121063.db2.gz DSZPGXCXYLGRAR-UHFFFAOYSA-N 0 0 196.593 2.428 10 0 AEAERN CCC(=O)c1ccccc1C=O 34529818 343121079 /nfs/dbraw/zinc/12/10/79/343121079.db2.gz JDVNVYKYMHIEPH-UHFFFAOYSA-N 0 0 162.188 2.092 10 0 AEAERN CC[P@@]1(=O)CC=C(C)C1 34528161 343121085 /nfs/dbraw/zinc/12/10/85/343121085.db2.gz UHHKAVNUKKRGJE-SECBINFHSA-N 0 0 144.154 2.329 10 0 AEAERN CC(=O)O[C@H](C)/C=C/c1ccco1 34519124 343121119 /nfs/dbraw/zinc/12/11/19/343121119.db2.gz QQWCVJVVQPZXEL-HQZHTGGTSA-N 0 0 180.203 2.244 10 0 AEAERN C[C@@H]1COc2ccccc2C1 34530883 343121177 /nfs/dbraw/zinc/12/11/77/343121177.db2.gz YTJAYQWSYFTVKX-QMMMGPOBSA-N 0 0 148.205 2.258 10 0 AEAERN CC[C@H]1CC(=O)Oc2ccccc21 34540576 343121407 /nfs/dbraw/zinc/12/14/07/343121407.db2.gz YIVJUSCMFQYFBJ-QMMMGPOBSA-N 0 0 176.215 2.489 10 0 AEAERN CC(C)N(O)C(=S)c1ccccc1 34546047 343121422 /nfs/dbraw/zinc/12/14/22/343121422.db2.gz FALXDBRAFFYIMW-UHFFFAOYSA-N 0 0 195.287 2.462 10 0 AEAERN CC(C)=CCC[C@H](C)C[C@H](O)CO 34545928 343121425 /nfs/dbraw/zinc/12/14/25/343121425.db2.gz BYGQMRBQFCTJJG-QWRGUYRKSA-N 0 0 186.295 2.112 10 0 AEAERN C[C@@H](CO)CSc1ccccc1 34545875 343121459 /nfs/dbraw/zinc/12/14/59/343121459.db2.gz FSBDYYMRMLIABE-VIFPVBQESA-N 0 0 182.288 2.407 10 0 AEAERN C=C/C=C/CCCC(=O)OC 34540038 343121490 /nfs/dbraw/zinc/12/14/90/343121490.db2.gz SVXNACJDHWTCGK-SNAWJCMRSA-N 0 0 154.209 2.072 10 0 AEAERN CCc1cccc2ccc(=O)[nH]c12 34540483 343121493 /nfs/dbraw/zinc/12/14/93/343121493.db2.gz URHSVQDWLISXOY-UHFFFAOYSA-N 0 0 173.215 2.091 10 0 AEAERN C=NN(C)C(=O)c1ccc(Cl)cc1 34546065 343121509 /nfs/dbraw/zinc/12/15/09/343121509.db2.gz XLQIMQCVLZQDFJ-UHFFFAOYSA-N 0 0 196.637 2.028 10 0 AEAERN CCCCc1ccccc1C(N)=O 34561204 343121768 /nfs/dbraw/zinc/12/17/68/343121768.db2.gz HEFNEJFJFIYIDG-UHFFFAOYSA-N 0 0 177.247 2.128 10 0 AEAERN COc1ccc2cccc(CO)c2c1 34559143 343121829 /nfs/dbraw/zinc/12/18/29/343121829.db2.gz KKHXVSYMLBYDET-UHFFFAOYSA-N 0 0 188.226 2.341 10 0 AEAERN CC1(C)[C@H](CO)[C@H]1c1ccccc1 34583010 343122431 /nfs/dbraw/zinc/12/24/31/343122431.db2.gz OGNLMSGSJQQBAC-GHMZBOCLSA-N 0 0 176.259 2.419 10 0 AEAERN CC(C)(C)c1cc(O)cc(O)c1 34579672 343122508 /nfs/dbraw/zinc/12/25/08/343122508.db2.gz XOIZPYZCDNKYBW-UHFFFAOYSA-N 0 0 166.220 2.395 10 0 AEAERN CCc1ccc2c(c1)CCO2 34582503 343122648 /nfs/dbraw/zinc/12/26/48/343122648.db2.gz LSKDTMHEUJNXPC-UHFFFAOYSA-N 0 0 148.205 2.184 10 0 AEAERN O=[N+]([O-])c1cc(Cl)c2c(c1)CCN2 34579923 343122653 /nfs/dbraw/zinc/12/26/53/343122653.db2.gz MDFIYXAUHLQZBB-UHFFFAOYSA-N 0 0 198.609 2.216 10 0 AEAERN Cc1ccc2c(c1)[C@H](O)C[C@H](C)O2 34583042 343122684 /nfs/dbraw/zinc/12/26/84/343122684.db2.gz DCJVFVZUJBNOPT-WCBMZHEXSA-N 0 0 178.231 2.199 10 0 AEAERN O=C1CC2(CC2)c2ccccc21 34596415 343122921 /nfs/dbraw/zinc/12/29/21/343122921.db2.gz FIOKIHHIRWMUGM-UHFFFAOYSA-N 0 0 158.200 2.305 10 0 AEAERN CCC(=O)COc1ccccc1 34592710 343122993 /nfs/dbraw/zinc/12/29/93/343122993.db2.gz MOWJSGLSMZHLAU-UHFFFAOYSA-N 0 0 164.204 2.045 10 0 AEAERN Cc1coc2cccc(O)c12 34599016 343123107 /nfs/dbraw/zinc/12/31/07/343123107.db2.gz PEUAZQMQTCPVPZ-UHFFFAOYSA-N 0 0 148.161 2.447 10 0 AEAERN CCOC(=S)c1cccs1 34599288 343123089 /nfs/dbraw/zinc/12/30/89/343123089.db2.gz APLVEDADPXPMGB-UHFFFAOYSA-N 0 0 172.274 2.460 10 0 AEAERN C1=C[C@@H](c2cccs2)OC1 34599045 343123129 /nfs/dbraw/zinc/12/31/29/343123129.db2.gz QRXAOTPWUTWBIH-ZETCQYMHSA-N 0 0 152.218 2.376 10 0 AEAERN CC(F)(F)[C@@H](O)c1ccccc1 34596581 343123255 /nfs/dbraw/zinc/12/32/55/343123255.db2.gz XTMIRCNSUFKDAL-QMMMGPOBSA-N 0 0 172.174 2.375 10 0 AEAERN C[C@H]1C(=O)CC[C@@H]1c1ccoc1 34617908 343123366 /nfs/dbraw/zinc/12/33/66/343123366.db2.gz SXTMFHCJUJQBFH-APPZFPTMSA-N 0 0 164.204 2.362 10 0 AEAERN CC1=N[C@@H](c2ccccc2)CO1 34612099 343123406 /nfs/dbraw/zinc/12/34/06/343123406.db2.gz OADZSDHBFLIAPX-SNVBAGLBSA-N 0 0 161.204 2.176 10 0 AEAERN Cc1ccc([S@@](=O)OC(C)C)cc1 34611788 343123411 /nfs/dbraw/zinc/12/34/11/343123411.db2.gz OYULADAATOHCOM-CYBMUJFWSA-N 0 0 198.287 2.443 10 0 AEAERN OC/C=C/CC/C=C/CC/C=C/CO 34611678 343123614 /nfs/dbraw/zinc/12/36/14/343123614.db2.gz PLGQXTUULJHUAY-FFWAUJBHSA-N 0 0 196.290 2.200 10 0 AEAERN Cc1ccc2nc3n(c2c1)CCC3 34623152 343123706 /nfs/dbraw/zinc/12/37/06/343123706.db2.gz PRRYSUYKXRETOP-UHFFFAOYSA-N 0 0 172.231 2.291 10 0 AEAERN CC1=C(Br)[C@@H](O)CCC1 34618794 343123832 /nfs/dbraw/zinc/12/38/32/343123832.db2.gz XTOCYWGOYVQUIF-LURJTMIESA-N 0 0 191.068 2.200 10 0 AEAERN COc1c(C)ccc(C)c1O 34628601 343124052 /nfs/dbraw/zinc/12/40/52/343124052.db2.gz BKWZPULPPBHXEJ-UHFFFAOYSA-N 0 0 152.193 2.018 10 0 AEAERN Cc1ccc(OCCF)cc1 34626146 343124204 /nfs/dbraw/zinc/12/42/04/343124204.db2.gz UUNBDQDUQJPFFM-UHFFFAOYSA-N 0 0 154.184 2.343 10 0 AEAERN Cc1cc(-c2csc(=O)[nH]2)c(C)o1 34669790 343124223 /nfs/dbraw/zinc/12/42/23/343124223.db2.gz XEKLMDPCMRVMHT-UHFFFAOYSA-N 0 0 195.243 2.313 10 0 AEAERN O=C(/C=C\c1ccccc1)n1cccn1 34707073 343124489 /nfs/dbraw/zinc/12/44/89/343124489.db2.gz YMNOOBWWDQCLRP-FPLPWBNLSA-N 0 0 198.225 2.237 10 0 AEAERN C=Cc1ccc(C)cc1O 34722830 343124512 /nfs/dbraw/zinc/12/45/12/343124512.db2.gz IRRGYSILRDZMQC-UHFFFAOYSA-N 0 0 134.178 2.344 10 0 AEAERN COC1=CC=CCCC1 34723239 343124518 /nfs/dbraw/zinc/12/45/18/343124518.db2.gz ZMRGAAGCXFKIQY-UHFFFAOYSA-N 0 0 124.183 2.257 10 0 AEAERN CC[C@@H]1CCC(=O)[C@H]1C 34741060 343124522 /nfs/dbraw/zinc/12/45/22/343124522.db2.gz OXNVQEPNORMJHR-NKWVEPMBSA-N 0 0 126.199 2.012 10 0 AEAERN Cc1c[nH]c(C(F)(F)F)cc1=O 34750686 343124738 /nfs/dbraw/zinc/12/47/38/343124738.db2.gz BSXWJVQXEKLJRP-UHFFFAOYSA-N 0 0 177.125 2.114 10 0 AEAERN CC(C)C1=CC[C@@H](C)C[C@@H]1O 34762471 343124843 /nfs/dbraw/zinc/12/48/43/343124843.db2.gz LWWSLALQNBCHNL-SCZZXKLOSA-N 0 0 154.253 2.360 10 0 AEAERN CCc1cccc(=S)[nH]1 34744084 343124902 /nfs/dbraw/zinc/12/49/02/343124902.db2.gz SCOJEDCLZZKCAM-UHFFFAOYSA-N 0 0 139.223 2.307 10 0 AEAERN Cc1nccc2ccc(O)cc12 34770550 343125024 /nfs/dbraw/zinc/12/50/24/343125024.db2.gz UQXPQUHLPGOINA-UHFFFAOYSA-N 0 0 159.188 2.249 10 0 AEAERN Cc1nccc2cc(O)ccc12 34770549 343125107 /nfs/dbraw/zinc/12/51/07/343125107.db2.gz FZEAFQGXLLXUFJ-UHFFFAOYSA-N 0 0 159.188 2.249 10 0 AEAERN Oc1ccc(C(F)(F)F)c(O)c1 34768530 343125160 /nfs/dbraw/zinc/12/51/60/343125160.db2.gz AFSBCBMHDANFIN-UHFFFAOYSA-N 0 0 178.109 2.117 10 0 AEAERN CCCC/C=C\[C@H](C)CO 34867662 343125393 /nfs/dbraw/zinc/12/53/93/343125393.db2.gz VKDQYFGLSCDVLW-NMTCXDENSA-N 0 0 142.242 2.361 10 0 AEAERN CC(C)c1nc2ccc(N)cc2n1C 34838580 343125534 /nfs/dbraw/zinc/12/55/34/343125534.db2.gz ASLIFQOWDSACCT-UHFFFAOYSA-N 0 0 189.262 2.279 10 0 AEAERN CCc1cc(N)nn1-c1ccccc1 34907243 343125658 /nfs/dbraw/zinc/12/56/58/343125658.db2.gz SVWCZNVJGXNQGA-UHFFFAOYSA-N 0 0 187.246 2.017 10 0 AEAERN CCCOCc1ccccc1 34827551 343125665 /nfs/dbraw/zinc/12/56/65/343125665.db2.gz IDNHUZRUTMUYBK-UHFFFAOYSA-N 0 0 149.213 2.427 10 0 AEAERN CC(=O)C=Cc1ccc(C(C)=O)cc1 34875491 343125674 /nfs/dbraw/zinc/12/56/74/343125674.db2.gz XCFFGUOWJMOOEM-ONEGZZNKSA-N 0 0 188.226 2.491 10 0 AEAERN Cc1ccc(-c2n[nH]cc2C=O)s1 34956903 343126511 /nfs/dbraw/zinc/12/65/11/343126511.db2.gz MLUVDLJKEDAKOV-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN C[C@H]1C[C@H]1c1ccc(C(N)=S)o1 34961457 343126630 /nfs/dbraw/zinc/12/66/30/343126630.db2.gz MTKVXWCUUMMXKB-NTSWFWBYSA-N 0 0 181.260 2.037 10 0 AEAERN Cc1[nH]c2ccc([S-])cc2[nH+]1 34974972 343126687 /nfs/dbraw/zinc/12/66/87/343126687.db2.gz YXKUIDJNYJGXFY-UHFFFAOYSA-N 0 0 164.233 2.160 10 0 AEAERN CCC(CC)c1n[nH]c(C)n1 34979012 343127054 /nfs/dbraw/zinc/12/70/54/343127054.db2.gz HCMIDBVQDLHQPQ-UHFFFAOYSA-N 0 0 153.229 2.017 10 0 AEAERN Cc1ccc(C(=O)CN(C)C)c(C)c1 34989567 343127230 /nfs/dbraw/zinc/12/72/30/343127230.db2.gz HMIXBEMKWRQQJP-UHFFFAOYSA-N 0 0 191.274 2.048 10 0 AEAERN Cc1nc(-c2ccccc2Cl)n[nH]1 34978979 343127258 /nfs/dbraw/zinc/12/72/58/343127258.db2.gz VYFCZNSJIQYQKC-UHFFFAOYSA-N 0 0 193.637 2.434 10 0 AEAERN Cc1ccc(C2N=NC(=S)N2)s1 34977888 343127261 /nfs/dbraw/zinc/12/72/61/343127261.db2.gz JHAHTGSTIBDZTO-UHFFFAOYSA-N 0 0 197.288 2.130 10 0 AEAERN Cc1c(C2CCCC2)noc1N 34976029 343127323 /nfs/dbraw/zinc/12/73/23/343127323.db2.gz IVYAHOSDAYUTMC-UHFFFAOYSA-N 0 0 166.224 2.223 10 0 AEAERN NC(=S)C1(c2ccccc2)CC1 35070158 343127513 /nfs/dbraw/zinc/12/75/13/343127513.db2.gz LBHVAPBTHOCEEZ-UHFFFAOYSA-N 0 0 177.272 2.004 10 0 AEAERN Cc1ccccc1/C=C/CCO 35050683 343127622 /nfs/dbraw/zinc/12/76/22/343127622.db2.gz XNBYMDXNLPJGGE-XBXARRHUSA-N 0 0 162.232 2.391 10 0 AEAERN C[C@H](Nc1ccccn1)C1CC1 35135031 343129026 /nfs/dbraw/zinc/12/90/26/343129026.db2.gz CFDMSSLMGVHCBC-QMMMGPOBSA-N 0 0 162.236 2.292 10 0 AEAERN C[C@H](Nc1ccc(Cl)nn1)C1CC1 35139429 343129081 /nfs/dbraw/zinc/12/90/81/343129081.db2.gz FELRRTXLEUUPND-LURJTMIESA-N 0 0 197.669 2.340 10 0 AEAERN CC[C@H](C)Cn1nnc2ccccc21 35143466 343129110 /nfs/dbraw/zinc/12/91/10/343129110.db2.gz ULWIYUKOZSNZLX-VIFPVBQESA-N 0 0 189.262 2.477 10 0 AEAERN CC[C@@H](C)Cn1nnc2ccccc21 35143464 343129112 /nfs/dbraw/zinc/12/91/12/343129112.db2.gz ULWIYUKOZSNZLX-SECBINFHSA-N 0 0 189.262 2.477 10 0 AEAERN C=CC(=O)Nc1ccc(F)cc1C 35160151 343129226 /nfs/dbraw/zinc/12/92/26/343129226.db2.gz BUPLJJMNHVCFGC-UHFFFAOYSA-N 0 0 179.194 2.259 10 0 AEAERN CCCCSCCC(=O)OC 35174329 343129478 /nfs/dbraw/zinc/12/94/78/343129478.db2.gz ACCUSPXLMBBGCR-UHFFFAOYSA-N 0 0 176.281 2.083 10 0 AEAERN CCCCSCC(=O)OCC 35162241 343129529 /nfs/dbraw/zinc/12/95/29/343129529.db2.gz FYOHYVYTYGUMAZ-UHFFFAOYSA-N 0 0 176.281 2.083 10 0 AEAERN C[C@H](Nc1nccs1)[C@@H]1CCCO1 35238223 343130206 /nfs/dbraw/zinc/13/02/06/343130206.db2.gz DKBVVAARBTVLJC-YUMQZZPRSA-N 0 0 198.291 2.123 10 0 AEAERN CCCCNc1nsnc1Cl 35232156 343130208 /nfs/dbraw/zinc/13/02/08/343130208.db2.gz LCIBYRIBBFZQRN-UHFFFAOYSA-N 0 0 191.687 2.404 10 0 AEAERN C[C@H](Nc1nccs1)[C@H]1CCCO1 35238226 343130428 /nfs/dbraw/zinc/13/04/28/343130428.db2.gz DKBVVAARBTVLJC-JGVFFNPUSA-N 0 0 198.291 2.123 10 0 AEAERN O=Cc1cncc(C2=CCCC2)c1 35259208 343130742 /nfs/dbraw/zinc/13/07/42/343130742.db2.gz MFNYHRBARJXEIW-UHFFFAOYSA-N 0 0 173.215 2.461 10 0 AEAERN Cc1ccc2nc([C@@H](C)N)oc2c1 35279089 343131163 /nfs/dbraw/zinc/13/11/63/343131163.db2.gz BWOVLTZQSYNEAO-SSDOTTSWSA-N 0 0 176.219 2.156 10 0 AEAERN Cc1ccc2nc([C@H](C)N)oc2c1 35279094 343131308 /nfs/dbraw/zinc/13/13/08/343131308.db2.gz BWOVLTZQSYNEAO-ZETCQYMHSA-N 0 0 176.219 2.156 10 0 AEAERN Cc1cc(-n2ccnc2C)ccc1N 35278303 343131341 /nfs/dbraw/zinc/13/13/41/343131341.db2.gz RYHPFNPWHDTNOR-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN CC(C)OCc1cc(F)ccc1N 35308793 343131797 /nfs/dbraw/zinc/13/17/97/343131797.db2.gz OMDZJAWQXFJPOE-UHFFFAOYSA-N 0 0 183.226 2.333 10 0 AEAERN CCCC[C@@H](N)c1nc(C(C)C)no1 35411441 343132540 /nfs/dbraw/zinc/13/25/40/343132540.db2.gz DSTLGPFTWGIFFL-MRVPVSSYSA-N 0 0 197.282 2.383 10 0 AEAERN CC(C)c1noc([C@@H](N)C(C)(C)C)n1 35411439 343132618 /nfs/dbraw/zinc/13/26/18/343132618.db2.gz SDYBBLKGVXVDAF-SSDOTTSWSA-N 0 0 197.282 2.239 10 0 AEAERN CC[C@@H](N)c1nc2ccccc2o1 35411537 343132636 /nfs/dbraw/zinc/13/26/36/343132636.db2.gz IIUZXCIIMICGHH-SSDOTTSWSA-N 0 0 176.219 2.238 10 0 AEAERN CC(C)c1noc([C@H](N)C(C)(C)C)n1 35411438 343132699 /nfs/dbraw/zinc/13/26/99/343132699.db2.gz SDYBBLKGVXVDAF-ZETCQYMHSA-N 0 0 197.282 2.239 10 0 AEAERN CCCC[C@@H](N)c1nc(C2CC2)no1 35411491 343132710 /nfs/dbraw/zinc/13/27/10/343132710.db2.gz FHJXFSBJQKYCHM-MRVPVSSYSA-N 0 0 195.266 2.137 10 0 AEAERN CCCC[C@H](N)c1nc(C2CC2)no1 35411490 343132727 /nfs/dbraw/zinc/13/27/27/343132727.db2.gz FHJXFSBJQKYCHM-QMMMGPOBSA-N 0 0 195.266 2.137 10 0 AEAERN CCCC[C@H](N)c1nc(C(C)C)no1 35411440 343132731 /nfs/dbraw/zinc/13/27/31/343132731.db2.gz DSTLGPFTWGIFFL-QMMMGPOBSA-N 0 0 197.282 2.383 10 0 AEAERN CC[C@H](N)c1nc2ccccc2o1 35411536 343132812 /nfs/dbraw/zinc/13/28/12/343132812.db2.gz IIUZXCIIMICGHH-ZETCQYMHSA-N 0 0 176.219 2.238 10 0 AEAERN CN(O)/C=C1/C=Nc2ccccc21 35482837 343132862 /nfs/dbraw/zinc/13/28/62/343132862.db2.gz OUGATPZCFTZHDN-FPLPWBNLSA-N 0 0 174.203 2.064 10 0 AEAERN O=Cc1cccn1CC1CCCC1 35431228 343132911 /nfs/dbraw/zinc/13/29/11/343132911.db2.gz ZGJYUBZGJAHUEA-UHFFFAOYSA-N 0 0 177.247 2.491 10 0 AEAERN Cc1cc(C)cc(OCCCCO)c1 35650243 343135487 /nfs/dbraw/zinc/13/54/87/343135487.db2.gz CULVTNHKLIFMDJ-UHFFFAOYSA-N 0 0 194.274 2.455 10 0 AEAERN C[C@H](O)c1ccc(N(C)C2CC2)cc1 35631598 343135185 /nfs/dbraw/zinc/13/51/85/343135185.db2.gz OSTDEWRLCGOBSC-VIFPVBQESA-N 0 0 191.274 2.339 10 0 AEAERN C[C@H](O)c1ccc(N2CCCC2)cc1 35631058 343135189 /nfs/dbraw/zinc/13/51/89/343135189.db2.gz RSRMHMXKTIMIMX-JTQLQIEISA-N 0 0 191.274 2.340 10 0 AEAERN Cc1ccc(Cl)c2c1C(=O)CO2 35652516 343135549 /nfs/dbraw/zinc/13/55/49/343135549.db2.gz WRUZEGGGIJHBFG-UHFFFAOYSA-N 0 0 182.606 2.224 10 0 AEAERN CC(C)c1ccc2c(c1)C(=O)CO2 35652500 343135564 /nfs/dbraw/zinc/13/55/64/343135564.db2.gz OXELIOCWTLCMNQ-UHFFFAOYSA-N 0 0 176.215 2.385 10 0 AEAERN Cc1ccc(C)c(OCCCCO)c1 35650241 343135633 /nfs/dbraw/zinc/13/56/33/343135633.db2.gz LVKCMCSVICOVQA-UHFFFAOYSA-N 0 0 194.274 2.455 10 0 AEAERN C[C@H](O)c1ccccc1N1CCCC1 35650409 343135635 /nfs/dbraw/zinc/13/56/35/343135635.db2.gz AEZJRQBMPLDLMX-JTQLQIEISA-N 0 0 191.274 2.340 10 0 AEAERN Cc1ccc(OCCCCO)c(C)c1 35650211 343135685 /nfs/dbraw/zinc/13/56/85/343135685.db2.gz HWTUKUFGBKEZLG-UHFFFAOYSA-N 0 0 194.274 2.455 10 0 AEAERN Cc1ccc(C)c(-n2cccn2)c1 35728259 343137066 /nfs/dbraw/zinc/13/70/66/343137066.db2.gz UZGKGQWUCYINGN-UHFFFAOYSA-N 0 0 172.231 2.489 10 0 AEAERN C[C@H](c1cccnc1)n1cccc1 35692786 343137182 /nfs/dbraw/zinc/13/71/82/343137182.db2.gz LDZDOEOTUWEQFU-SNVBAGLBSA-N 0 0 172.231 2.492 10 0 AEAERN C[C@H](C1CC1)n1cccc1C=O 35734241 343137448 /nfs/dbraw/zinc/13/74/48/343137448.db2.gz QQEOCKZBDWKLHX-MRVPVSSYSA-N 0 0 163.220 2.272 10 0 AEAERN C[C@H](Nc1cccc(N)c1)C1CC1 35733438 343137544 /nfs/dbraw/zinc/13/75/44/343137544.db2.gz WGDNPQNSWRPDHN-QMMMGPOBSA-N 0 0 176.263 2.479 10 0 AEAERN Cc1n[nH]c(=S)n1[C@H](C)C1CC1 35733933 343137606 /nfs/dbraw/zinc/13/76/06/343137606.db2.gz SDMDHDVXOKABRJ-RXMQYKEDSA-N 0 0 183.280 2.220 10 0 AEAERN C[C@H](C1CC1)n1cccc1 35734245 343137703 /nfs/dbraw/zinc/13/77/03/343137703.db2.gz RWVVEWXSODZNRO-MRVPVSSYSA-N 0 0 135.210 2.459 10 0 AEAERN C[C@@H](c1cccs1)N1CCC(=O)C1 35737078 343137966 /nfs/dbraw/zinc/13/79/66/343137966.db2.gz UEZSVDUYODNUIQ-QMMMGPOBSA-N 0 0 195.287 2.084 10 0 AEAERN C[C@H](Nc1ccccn1)[C@@H]1CCCO1 35736171 343137967 /nfs/dbraw/zinc/13/79/67/343137967.db2.gz CKURRFVIMOCGTO-UWVGGRQHSA-N 0 0 192.262 2.061 10 0 AEAERN C[C@H]([C@@H]1CCCO1)n1cc[nH]c1=S 35736260 343137980 /nfs/dbraw/zinc/13/79/80/343137980.db2.gz XZDPWWHYBFVTHR-SFYZADRCSA-N 0 0 198.291 2.286 10 0 AEAERN C[C@H](Nc1cnn(C)c1)C1(C)CC1 35737428 343137993 /nfs/dbraw/zinc/13/79/93/343137993.db2.gz GEZIZHHTLUCFNM-QMMMGPOBSA-N 0 0 179.267 2.021 10 0 AEAERN C[C@H](c1ccco1)N1CCC(=O)CC1 35739373 343138019 /nfs/dbraw/zinc/13/80/19/343138019.db2.gz SUFHWECAWUXZSQ-SECBINFHSA-N 0 0 193.246 2.006 10 0 AEAERN C[C@H](Nc1ccccn1)[C@H]1CCCO1 35736173 343138047 /nfs/dbraw/zinc/13/80/47/343138047.db2.gz CKURRFVIMOCGTO-VHSXEESVSA-N 0 0 192.262 2.061 10 0 AEAERN C[C@H]([C@H]1CCCO1)n1cc[nH]c1=S 35736262 343138143 /nfs/dbraw/zinc/13/81/43/343138143.db2.gz XZDPWWHYBFVTHR-HTQZYQBOSA-N 0 0 198.291 2.286 10 0 AEAERN CC[C@H]1CCCC[N@@H+]1[C@@H](C)CC(=O)[O-] 35752522 343138347 /nfs/dbraw/zinc/13/83/47/343138347.db2.gz LGGKYVHESYXIDD-UWVGGRQHSA-N 0 0 199.294 2.114 10 0 AEAERN CC[C@@H]1CCCC[N@@H+]1[C@@H](C)CC(=O)[O-] 35752519 343138543 /nfs/dbraw/zinc/13/85/43/343138543.db2.gz LGGKYVHESYXIDD-VHSXEESVSA-N 0 0 199.294 2.114 10 0 AEAERN Cc1cccc(CNc2cn[nH]c2)c1 35764063 343138723 /nfs/dbraw/zinc/13/87/23/343138723.db2.gz SMCQSCCPTVISPV-UHFFFAOYSA-N 0 0 187.246 2.330 10 0 AEAERN CC[C@H](C)[C@H](C)Nc1cn[nH]c1 35763632 343138766 /nfs/dbraw/zinc/13/87/66/343138766.db2.gz DPQOMGCLZKETOJ-YUMQZZPRSA-N 0 0 167.256 2.256 10 0 AEAERN Cc1ccc(CNc2cn[nH]c2)s1 35763689 343138804 /nfs/dbraw/zinc/13/88/04/343138804.db2.gz MFVLTMAMTSZWJN-UHFFFAOYSA-N 0 0 193.275 2.392 10 0 AEAERN C[C@H]1CCCC[C@H]1Nc1cn[nH]c1 35764041 343138862 /nfs/dbraw/zinc/13/88/62/343138862.db2.gz NMOVZIBRMGVNJM-WCBMZHEXSA-N 0 0 179.267 2.400 10 0 AEAERN C[C@H](Nc1cn[nH]c1)c1ccco1 35763917 343138864 /nfs/dbraw/zinc/13/88/64/343138864.db2.gz JPLOWIIKCIAGIU-ZETCQYMHSA-N 0 0 177.207 2.176 10 0 AEAERN CC1CCC(Nc2cn[nH]c2)CC1 35764056 343138903 /nfs/dbraw/zinc/13/89/03/343138903.db2.gz YHZDRLVOHQQINB-UHFFFAOYSA-N 0 0 179.267 2.400 10 0 AEAERN C[C@H](Nc1cn[nH]c1)C1(C)CC1 35763558 343138932 /nfs/dbraw/zinc/13/89/32/343138932.db2.gz QPQXVQSGSSWYHZ-ZETCQYMHSA-N 0 0 165.240 2.010 10 0 AEAERN Cc1ccsc1CNc1cn[nH]c1 35764011 343138951 /nfs/dbraw/zinc/13/89/51/343138951.db2.gz OBXWWFOTXYXSAY-UHFFFAOYSA-N 0 0 193.275 2.392 10 0 AEAERN Cc1ccc([C@@H](C)Nc2cn[nH]c2)o1 35763906 343138958 /nfs/dbraw/zinc/13/89/58/343138958.db2.gz OIFHWOMNRBKRDC-MRVPVSSYSA-N 0 0 191.234 2.484 10 0 AEAERN CC[C@H](C)[C@@H](C)Nc1cn[nH]c1 35763630 343139034 /nfs/dbraw/zinc/13/90/34/343139034.db2.gz DPQOMGCLZKETOJ-JGVFFNPUSA-N 0 0 167.256 2.256 10 0 AEAERN Cc1ccc([C@H](C)Nc2cn[nH]c2)o1 35763907 343139059 /nfs/dbraw/zinc/13/90/59/343139059.db2.gz OIFHWOMNRBKRDC-QMMMGPOBSA-N 0 0 191.234 2.484 10 0 AEAERN Cc1cc(C)cc(-n2nccc2N)c1 35778461 343139182 /nfs/dbraw/zinc/13/91/82/343139182.db2.gz DCXXUFBYFLNESU-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN Cc1cc(C)cc(-n2cccn2)c1 35778607 343139344 /nfs/dbraw/zinc/13/93/44/343139344.db2.gz JTZKQLLEXLUULJ-UHFFFAOYSA-N 0 0 172.231 2.489 10 0 AEAERN C=Cc1c(OC)cccc1OC 35854920 343139769 /nfs/dbraw/zinc/13/97/69/343139769.db2.gz NJJVQRWBOBTTSN-UHFFFAOYSA-N 0 0 164.204 2.347 10 0 AEAERN C=C/C=C(\C(=O)OC)c1ccccc1 35882007 343139956 /nfs/dbraw/zinc/13/99/56/343139956.db2.gz CUISUHHWCVWKIB-XFFZJAGNSA-N 0 0 188.226 2.429 10 0 AEAERN Cc1cccc([C@]23CC[C@H](O)[C@H]2C3)c1 35882011 343139972 /nfs/dbraw/zinc/13/99/72/343139972.db2.gz AHFKBDSFFQKVAH-FRRDWIJNSA-N 0 0 188.270 2.407 10 0 AEAERN Cc1cccc([C@]23CC[C@@H](O)[C@H]2C3)c1 35882012 343139992 /nfs/dbraw/zinc/13/99/92/343139992.db2.gz AHFKBDSFFQKVAH-JHJVBQTASA-N 0 0 188.270 2.407 10 0 AEAERN Cc1n[nH]c(C)c1NC(=O)C(C)(C)C 35934977 343140095 /nfs/dbraw/zinc/14/00/95/343140095.db2.gz RKAXNYBKZIKYEF-UHFFFAOYSA-N 0 0 195.266 2.011 10 0 AEAERN C[C@H](O)c1cnc(Cl)c(Cl)c1 35882031 343140154 /nfs/dbraw/zinc/14/01/54/343140154.db2.gz UWYHARVKKOISKT-BYPYZUCNSA-N 0 0 192.045 2.442 10 0 AEAERN Cc1cc(N)c2ccc(F)c(F)c2n1 36075631 343140340 /nfs/dbraw/zinc/14/03/40/343140340.db2.gz VESJYMMWDCZYNZ-UHFFFAOYSA-N 0 0 194.184 2.404 10 0 AEAERN CC(C)c1nc2cc(O)ccc2[nH]1 36197994 343141535 /nfs/dbraw/zinc/14/15/35/343141535.db2.gz OMPYSRFBUJRSEX-UHFFFAOYSA-N 0 0 176.219 2.392 10 0 AEAERN CC(C)Nc1ncc(Cl)cc1N 36226214 343141583 /nfs/dbraw/zinc/14/15/83/343141583.db2.gz IBZDHCDEJDAQQQ-UHFFFAOYSA-N 0 0 185.658 2.138 10 0 AEAERN Cc1ccc(-c2nc(N)ns2)cc1 36294234 343143364 /nfs/dbraw/zinc/14/33/64/343143364.db2.gz OXSMOGHZKLLLHW-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN CC(C)c1nc2c(N)cccc2[nH]1 36281870 343143505 /nfs/dbraw/zinc/14/35/05/343143505.db2.gz XHVNCDXENZCUNK-UHFFFAOYSA-N 0 0 175.235 2.269 10 0 AEAERN CC(C)Cc1nc2c(N)cccc2[nH]1 36281881 343143533 /nfs/dbraw/zinc/14/35/33/343143533.db2.gz ZSKHOIZENPGFML-UHFFFAOYSA-N 0 0 189.262 2.344 10 0 AEAERN Cc1csc(NC2CCOCC2)n1 36319956 343143717 /nfs/dbraw/zinc/14/37/17/343143717.db2.gz CRPLUANUFRCMRM-UHFFFAOYSA-N 0 0 198.291 2.042 10 0 AEAERN Cc1ccc(C)n1C1CCOCC1 36320221 343143853 /nfs/dbraw/zinc/14/38/53/343143853.db2.gz MUIXTCUEIRKQDX-UHFFFAOYSA-N 0 0 179.263 2.456 10 0 AEAERN C=CC(=O)N(CC)c1ccccc1 36334106 343144416 /nfs/dbraw/zinc/14/44/16/343144416.db2.gz BNTUIAFSOCHRHV-UHFFFAOYSA-N 0 0 175.231 2.226 10 0 AEAERN C[C@H](C(=O)[O-])[N@H+](C)C1CCCCCC1 36328782 343144499 /nfs/dbraw/zinc/14/44/99/343144499.db2.gz QCAVZOOHZJDMEU-SECBINFHSA-N 0 0 199.294 2.114 10 0 AEAERN CCCCS[C@H](C)CC(=O)OC 36332636 343144576 /nfs/dbraw/zinc/14/45/76/343144576.db2.gz CEIQTCXEZUXEIH-MRVPVSSYSA-N 0 0 190.308 2.471 10 0 AEAERN CCCCS[C@@H](C)CC(=O)OC 36332634 343144579 /nfs/dbraw/zinc/14/45/79/343144579.db2.gz CEIQTCXEZUXEIH-QMMMGPOBSA-N 0 0 190.308 2.471 10 0 AEAERN C[C@@H]1C[C@@H](c2ccccc2)OC1=O 36419553 343144717 /nfs/dbraw/zinc/14/47/17/343144717.db2.gz RJORZFILZSPUAF-SCZZXKLOSA-N 0 0 176.215 2.311 10 0 AEAERN C=CCC/C=C/C(=O)OCC 36404134 343144951 /nfs/dbraw/zinc/14/49/51/343144951.db2.gz YXVOLAWZRLWSIQ-BQYQJAHWSA-N 0 0 154.209 2.072 10 0 AEAERN O=C1C/C=C\CC(=O)CCCC1 36436888 343145318 /nfs/dbraw/zinc/14/53/18/343145318.db2.gz RGWCHWVQRRANIC-UPHRSURJSA-N 0 0 166.220 2.035 10 0 AEAERN CC(=O)/C=C/CC/C=C/C(C)=O 36436890 343145390 /nfs/dbraw/zinc/14/53/90/343145390.db2.gz MTJCWONYZOGINU-KQQUZDAGSA-N 0 0 166.220 2.057 10 0 AEAERN Cc1ccc([C@H](C)CCO)cc1 36448024 343145523 /nfs/dbraw/zinc/14/55/23/343145523.db2.gz JMMKGJRBKWGHLE-SNVBAGLBSA-N 0 0 164.248 2.481 10 0 AEAERN COc1ccccc1/C=C\CCO 36438159 343145579 /nfs/dbraw/zinc/14/55/79/343145579.db2.gz CJGRMRLDMSCIRZ-DAXSKMNVSA-N 0 0 178.231 2.091 10 0 AEAERN CC(C)(C)C(=O)C1(O)CCCCC1 36438274 343145628 /nfs/dbraw/zinc/14/56/28/343145628.db2.gz VRNHRIBENYNKRN-UHFFFAOYSA-N 0 0 184.279 2.297 10 0 AEAERN COC(=O)/C=C(\Cl)C(C)(C)C 36438134 343145722 /nfs/dbraw/zinc/14/57/22/343145722.db2.gz JSOJYKCQVYKMNS-WAYWQWQTSA-N 0 0 176.643 2.328 10 0 AEAERN Cc1ccc([C@@H](C)CCO)cc1 36448023 343145724 /nfs/dbraw/zinc/14/57/24/343145724.db2.gz JMMKGJRBKWGHLE-JTQLQIEISA-N 0 0 164.248 2.481 10 0 AEAERN CC[C@@H]1Cc2ccccc2CC1=O 36458935 343145967 /nfs/dbraw/zinc/14/59/67/343145967.db2.gz MGLHZECMGLTYET-SECBINFHSA-N 0 0 174.243 2.381 10 0 AEAERN CC[C@H]1Cc2ccccc2CC1=O 36458936 343145978 /nfs/dbraw/zinc/14/59/78/343145978.db2.gz MGLHZECMGLTYET-VIFPVBQESA-N 0 0 174.243 2.381 10 0 AEAERN C[C@H]1Cc2c(ccc(F)c2F)N1 36458842 343145994 /nfs/dbraw/zinc/14/59/94/343145994.db2.gz CXHAQXIUDRZAEX-YFKPBYRVSA-N 0 0 169.174 2.321 10 0 AEAERN CCOC(=O)OC/C=C/c1ccco1 36448512 343146028 /nfs/dbraw/zinc/14/60/28/343146028.db2.gz FUUCHLOWOHODDX-GQCTYLIASA-N 0 0 196.202 2.466 10 0 AEAERN CCCSCCC(=O)OCC 36671202 343146988 /nfs/dbraw/zinc/14/69/88/343146988.db2.gz FTPBTJOQPFXGNY-UHFFFAOYSA-N 0 0 176.281 2.083 10 0 AEAERN CC[C@H](C)Nc1cccc(N)c1 36720305 343148044 /nfs/dbraw/zinc/14/80/44/343148044.db2.gz PWWYRIBQIWQWMP-QMMMGPOBSA-N 0 0 164.252 2.479 10 0 AEAERN CCCCNc1cccc(N)c1 36720321 343148047 /nfs/dbraw/zinc/14/80/47/343148047.db2.gz HSIGVRYBFMXULS-UHFFFAOYSA-N 0 0 164.252 2.481 10 0 AEAERN CC(C)Nc1cccc(N)c1 36720302 343148308 /nfs/dbraw/zinc/14/83/08/343148308.db2.gz PLKKXOGVPVZQSZ-UHFFFAOYSA-N 0 0 150.225 2.089 10 0 AEAERN Cc1n[nH]c(C)c1NC1CCCC1 36736180 343148517 /nfs/dbraw/zinc/14/85/17/343148517.db2.gz AAQXDVXVZKSULB-UHFFFAOYSA-N 0 0 179.267 2.381 10 0 AEAERN CC[C@H](C)Nc1c(C)n[nH]c1C 36734729 343148556 /nfs/dbraw/zinc/14/85/56/343148556.db2.gz NYQQEQQWNPZOFK-LURJTMIESA-N 0 0 167.256 2.237 10 0 AEAERN Cc1n[nH]c(C)c1-n1c(C)ccc1C 36736612 343148570 /nfs/dbraw/zinc/14/85/70/343148570.db2.gz KYBBVZGMQWCVMB-UHFFFAOYSA-N 0 0 189.262 2.434 10 0 AEAERN Cc1n[nH]c(C)c1NCC(C)C 36736141 343148633 /nfs/dbraw/zinc/14/86/33/343148633.db2.gz DEYJGMKIOVZHRM-UHFFFAOYSA-N 0 0 167.256 2.094 10 0 AEAERN Cc1n[nH]c(C)c1N[C@@H](C)C(C)C 36736029 343148651 /nfs/dbraw/zinc/14/86/51/343148651.db2.gz KNXJRSFNSBAMIY-ZETCQYMHSA-N 0 0 181.283 2.483 10 0 AEAERN Cc1n[nH]c(C)c1N[C@H](C)C(C)C 36736030 343148745 /nfs/dbraw/zinc/14/87/45/343148745.db2.gz KNXJRSFNSBAMIY-SSDOTTSWSA-N 0 0 181.283 2.483 10 0 AEAERN Cc1n[nH]c(C)c1NCc1ccco1 36736143 343148755 /nfs/dbraw/zinc/14/87/55/343148755.db2.gz AEXYAVSUVAOQKR-UHFFFAOYSA-N 0 0 191.234 2.232 10 0 AEAERN Cc1n[nH]c(C)c1N[C@H](C)C1CC1 36736056 343148782 /nfs/dbraw/zinc/14/87/82/343148782.db2.gz XDFHDPYNQQJBLP-ZCFIWIBFSA-N 0 0 179.267 2.237 10 0 AEAERN Cc1n[nH]c(C)c1N[C@@H](C)C1CC1 36736055 343148818 /nfs/dbraw/zinc/14/88/18/343148818.db2.gz XDFHDPYNQQJBLP-LURJTMIESA-N 0 0 179.267 2.237 10 0 AEAERN Cc1nn(C)c(SC(C)(C)C)c1N 36749650 343149135 /nfs/dbraw/zinc/14/91/35/343149135.db2.gz ZJRJDPMUBUBDDH-UHFFFAOYSA-N 0 0 199.323 2.201 10 0 AEAERN CC(C)Cc1nc(C(C)C)cc(=O)[nH]1 36755236 343149163 /nfs/dbraw/zinc/14/91/63/343149163.db2.gz MTCWTLACYFOYFX-UHFFFAOYSA-N 0 0 194.278 2.092 10 0 AEAERN Cc1ccc(N)c(OCC2CC2)c1 36765132 343149267 /nfs/dbraw/zinc/14/92/67/343149267.db2.gz YPQSLHGJHNLQIO-UHFFFAOYSA-N 0 0 177.247 2.366 10 0 AEAERN Cc1c(O)cccc1OCC1CC1 36765559 343149625 /nfs/dbraw/zinc/14/96/25/343149625.db2.gz MZCFTKLTLXOQPG-UHFFFAOYSA-N 0 0 178.231 2.489 10 0 AEAERN Cc1cc(C(=O)OC(C)C)ccc1N 36827681 343150397 /nfs/dbraw/zinc/15/03/97/343150397.db2.gz QQZTUCXYYBOEHK-UHFFFAOYSA-N 0 0 193.246 2.142 10 0 AEAERN CC(C)OCc1nnsc1Cl 36820368 343150444 /nfs/dbraw/zinc/15/04/44/343150444.db2.gz RRCXKKBPOULGCS-UHFFFAOYSA-N 0 0 192.671 2.117 10 0 AEAERN Cc1ccc(-c2ncc(N)cn2)s1 36895547 343153115 /nfs/dbraw/zinc/15/31/15/343153115.db2.gz LYRRWXMXXZXVNP-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1c(O)cccc1OC(C)C 36896603 343153173 /nfs/dbraw/zinc/15/31/73/343153173.db2.gz GUEMPRZHIYJJDO-UHFFFAOYSA-N 0 0 166.220 2.488 10 0 AEAERN Cc1ccccc1-c1ncc(N)cn1 36895501 343153224 /nfs/dbraw/zinc/15/32/24/343153224.db2.gz QUJCODKCRGZGOG-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1c(O)cccc1OC(F)F 36896619 343153275 /nfs/dbraw/zinc/15/32/75/343153275.db2.gz IYFYJKLBTPHKJI-UHFFFAOYSA-N 0 0 174.146 2.302 10 0 AEAERN CCc1c(-c2occc2C)noc1N 36916487 343154200 /nfs/dbraw/zinc/15/42/00/343154200.db2.gz QBDNTVOUFFLSND-UHFFFAOYSA-N 0 0 192.218 2.388 10 0 AEAERN CCc1c(-c2ccoc2)noc1N 36916571 343154266 /nfs/dbraw/zinc/15/42/66/343154266.db2.gz RFNNXUCNYTWWAD-UHFFFAOYSA-N 0 0 178.191 2.079 10 0 AEAERN CCc1c(CC(C)(C)C)noc1N 36916593 343154275 /nfs/dbraw/zinc/15/42/75/343154275.db2.gz VDOXORUCIFOGAI-UHFFFAOYSA-N 0 0 182.267 2.408 10 0 AEAERN CCCC[C@H](N)c1nc(CCC)no1 36915786 343154292 /nfs/dbraw/zinc/15/42/92/343154292.db2.gz PRGAFHOJBFHKTF-QMMMGPOBSA-N 0 0 197.282 2.212 10 0 AEAERN CCc1c(-c2ccc(C)o2)noc1N 36916505 343154326 /nfs/dbraw/zinc/15/43/26/343154326.db2.gz UEZWJCGAJFMCSR-UHFFFAOYSA-N 0 0 192.218 2.388 10 0 AEAERN CCc1c(C2CCC2)noc1N 36916527 343154381 /nfs/dbraw/zinc/15/43/81/343154381.db2.gz SIKFTPSMZBGUDM-UHFFFAOYSA-N 0 0 166.224 2.087 10 0 AEAERN CCCC[C@@H](N)c1nc(CCC)no1 36915787 343154430 /nfs/dbraw/zinc/15/44/30/343154430.db2.gz PRGAFHOJBFHKTF-MRVPVSSYSA-N 0 0 197.282 2.212 10 0 AEAERN CCCC(=O)Nc1c(C)cccc1N 36925453 343154554 /nfs/dbraw/zinc/15/45/54/343154554.db2.gz QZBVFQRWXBXZHU-UHFFFAOYSA-N 0 0 192.262 2.316 10 0 AEAERN Cc1c(N)n[nH]c1C1CCCCC1 36936002 343155089 /nfs/dbraw/zinc/15/50/89/343155089.db2.gz ZXZNMBCUCVAVPE-UHFFFAOYSA-N 0 0 179.267 2.348 10 0 AEAERN Cc1ccc(C(=O)[C@@H]2CCCO2)s1 36942694 343155428 /nfs/dbraw/zinc/15/54/28/343155428.db2.gz SBUZMAOMFNEDQH-QMMMGPOBSA-N 0 0 196.271 2.418 10 0 AEAERN Cc1ccc(C(=O)[C@H]2CCCO2)s1 36942696 343155478 /nfs/dbraw/zinc/15/54/78/343155478.db2.gz SBUZMAOMFNEDQH-MRVPVSSYSA-N 0 0 196.271 2.418 10 0 AEAERN Cc1ccc(-c2noc(N)c2C)o1 36937186 343155480 /nfs/dbraw/zinc/15/54/80/343155480.db2.gz KEJXHPDQCRVWLI-UHFFFAOYSA-N 0 0 178.191 2.134 10 0 AEAERN Cc1c(CC(C)(C)C)noc1N 36937182 343155598 /nfs/dbraw/zinc/15/55/98/343155598.db2.gz DKVZHJMSNHJKGE-UHFFFAOYSA-N 0 0 168.240 2.154 10 0 AEAERN O=C(c1cccs1)[C@H]1CCCO1 36942564 343155608 /nfs/dbraw/zinc/15/56/08/343155608.db2.gz QWUWQPRXAKRQHR-SSDOTTSWSA-N 0 0 182.244 2.110 10 0 AEAERN Cc1cc(N)ccc1NCC1CC1 36950104 343155959 /nfs/dbraw/zinc/15/59/59/343155959.db2.gz AASPOKXAPCMWHQ-UHFFFAOYSA-N 0 0 176.263 2.399 10 0 AEAERN Cc1ccsc1C1N=NC(=S)N1 36948331 343155998 /nfs/dbraw/zinc/15/59/98/343155998.db2.gz OHWRKWDOSVSUGU-UHFFFAOYSA-N 0 0 197.288 2.130 10 0 AEAERN Cc1cc(N)ccc1NC(C)C 36950095 343156022 /nfs/dbraw/zinc/15/60/22/343156022.db2.gz YEMHHIJZIUOTEW-UHFFFAOYSA-N 0 0 164.252 2.398 10 0 AEAERN Cc1nc(-c2sccc2C)n[nH]1 36960710 343156245 /nfs/dbraw/zinc/15/62/45/343156245.db2.gz GDBADCOGWBWVPG-UHFFFAOYSA-N 0 0 179.248 2.150 10 0 AEAERN Cc1nc(Cc2ccccc2C)n[nH]1 36960725 343156271 /nfs/dbraw/zinc/15/62/71/343156271.db2.gz LFBPWDVNPQSJBD-UHFFFAOYSA-N 0 0 187.246 2.012 10 0 AEAERN Cc1ccc(/C=C/C(N)=O)cc1Cl 36962570 343156326 /nfs/dbraw/zinc/15/63/26/343156326.db2.gz OWZWJBVJTKVJMB-SNAWJCMRSA-N 0 0 195.649 2.147 10 0 AEAERN Cc1cc(C)cc(-c2n[nH]c(C)n2)c1 36960803 343156379 /nfs/dbraw/zinc/15/63/79/343156379.db2.gz KADVECDNZJFSJK-UHFFFAOYSA-N 0 0 187.246 2.397 10 0 AEAERN Cc1nc(CC2CCCCC2)n[nH]1 36960644 343156400 /nfs/dbraw/zinc/15/64/00/343156400.db2.gz VAUWXAXFBXVYNG-UHFFFAOYSA-N 0 0 179.267 2.236 10 0 AEAERN Cc1ccc(-n2ccnc2C)c(N)c1 36964601 343156411 /nfs/dbraw/zinc/15/64/11/343156411.db2.gz GMJURYDHISWMGC-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN Cc1nc(CCC2CCCC2)n[nH]1 36960801 343156456 /nfs/dbraw/zinc/15/64/56/343156456.db2.gz BDEOKASVWFXWIG-UHFFFAOYSA-N 0 0 179.267 2.236 10 0 AEAERN Cc1nc(-c2cc(F)ccc2F)n[nH]1 36960702 343156539 /nfs/dbraw/zinc/15/65/39/343156539.db2.gz UDMCTTUOTGCNPN-UHFFFAOYSA-N 0 0 195.172 2.058 10 0 AEAERN CC[C@H](C)Nc1cccnc1N(C)C 37028835 343157922 /nfs/dbraw/zinc/15/79/22/343157922.db2.gz NJIBAZVJSYTFDG-VIFPVBQESA-N 0 0 193.294 2.358 10 0 AEAERN Cc1nc(N)sc1SC(F)F 37037143 343157939 /nfs/dbraw/zinc/15/79/39/343157939.db2.gz DBSIMUUSCYAOFX-UHFFFAOYSA-N 0 0 196.247 2.348 10 0 AEAERN CN(c1ncccc1N)C1CCCC1 37084001 343159125 /nfs/dbraw/zinc/15/91/25/343159125.db2.gz UEQZNKDNOVBCEV-UHFFFAOYSA-N 0 0 191.278 2.043 10 0 AEAERN COCCCC(=O)c1ccccc1 37117800 343160220 /nfs/dbraw/zinc/16/02/20/343160220.db2.gz JCGZWVZIZNKUHN-UHFFFAOYSA-N 0 0 178.231 2.296 10 0 AEAERN Cc1cccc2c1OCCC[C@H]2O 37180250 343162115 /nfs/dbraw/zinc/16/21/15/343162115.db2.gz CQVXDKGGDFIJHP-SNVBAGLBSA-N 0 0 178.231 2.201 10 0 AEAERN CC[C@@H](O)c1ccc2c(c1)CCO2 37180255 343162133 /nfs/dbraw/zinc/16/21/33/343162133.db2.gz PMABRNGAHKYSRL-SNVBAGLBSA-N 0 0 178.231 2.065 10 0 AEAERN CC(C)Sc1ccc(N)nc1 37192642 343162279 /nfs/dbraw/zinc/16/22/79/343162279.db2.gz JEPHENTUOPRQQV-UHFFFAOYSA-N 0 0 168.265 2.164 10 0 AEAERN CC(C)Sc1ncccc1N 37191031 343162335 /nfs/dbraw/zinc/16/23/35/343162335.db2.gz RMQBKKIFZMTGJL-UHFFFAOYSA-N 0 0 168.265 2.164 10 0 AEAERN CC(C)Sc1ccncc1N 37190208 343162344 /nfs/dbraw/zinc/16/23/44/343162344.db2.gz LQKAPAGYSUIZJA-UHFFFAOYSA-N 0 0 168.265 2.164 10 0 AEAERN Cc1n[nH]c(=S)n1CC1CCC1 37180978 343162417 /nfs/dbraw/zinc/16/24/17/343162417.db2.gz PSWDWMYKAWUXLB-UHFFFAOYSA-N 0 0 183.280 2.049 10 0 AEAERN CCc1n[nH]c(=S)n1CC1CCC1 37180976 343162493 /nfs/dbraw/zinc/16/24/93/343162493.db2.gz BLQWSEWEVXBGNC-UHFFFAOYSA-N 0 0 197.307 2.303 10 0 AEAERN CC(C)[NH2+][C@]1(C(=O)[O-])CCCC[C@H]1C 37182908 343162512 /nfs/dbraw/zinc/16/25/12/343162512.db2.gz IIJLKRQXUZSREU-MWLCHTKSSA-N 0 0 199.294 2.018 10 0 AEAERN CC(C)[NH2+][C@@]1(C(=O)[O-])CCCC[C@H]1C 37182910 343162521 /nfs/dbraw/zinc/16/25/21/343162521.db2.gz IIJLKRQXUZSREU-KOLCDFICSA-N 0 0 199.294 2.018 10 0 AEAERN CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@H](C)C1 37182919 343162523 /nfs/dbraw/zinc/16/25/23/343162523.db2.gz FNCHXRSRTWDEFQ-GXSJLCMTSA-N 0 0 199.294 2.018 10 0 AEAERN CC1CCC([NH2+]C(C)C)(C(=O)[O-])CC1 37182980 343162534 /nfs/dbraw/zinc/16/25/34/343162534.db2.gz VWTHUBOEMIQUDQ-UHFFFAOYSA-N 0 0 199.294 2.018 10 0 AEAERN CC(C)N(C)c1ccc(F)cc1C=O 37233741 343163186 /nfs/dbraw/zinc/16/31/86/343163186.db2.gz MVLYHIMHZDPBNT-UHFFFAOYSA-N 0 0 195.237 2.483 10 0 AEAERN CC(C)N(C)c1ccc(F)cc1CO 37234321 343163331 /nfs/dbraw/zinc/16/33/31/343163331.db2.gz TXVHWMILVBVHRA-UHFFFAOYSA-N 0 0 197.253 2.163 10 0 AEAERN CCc1ccc(N2CCC(=O)C2)cc1 37239985 343163354 /nfs/dbraw/zinc/16/33/54/343163354.db2.gz JVMFVGDIZZVNBQ-UHFFFAOYSA-N 0 0 189.258 2.028 10 0 AEAERN CCc1cccc(N2CCC(=O)C2)c1 37240022 343163666 /nfs/dbraw/zinc/16/36/66/343163666.db2.gz HASISHCQMGWMJO-UHFFFAOYSA-N 0 0 189.258 2.028 10 0 AEAERN Cc1cc(C)cc(N2CCC(=O)C2)c1 37240038 343163708 /nfs/dbraw/zinc/16/37/08/343163708.db2.gz XGICOGKDXPSNJZ-UHFFFAOYSA-N 0 0 189.258 2.083 10 0 AEAERN Cc1n[nH]c(=S)n1CC1CCCC1 37258863 343164877 /nfs/dbraw/zinc/16/48/77/343164877.db2.gz QHQNYYXPSSYXMM-UHFFFAOYSA-N 0 0 197.307 2.439 10 0 AEAERN CC(C)c1cc(N)n(C(C)(C)C)n1 37295079 343165067 /nfs/dbraw/zinc/16/50/67/343165067.db2.gz KPHYFPLXRGZGPY-UHFFFAOYSA-N 0 0 181.283 2.344 10 0 AEAERN Cc1cc(C(=O)CN(C)C)c(C)s1 37333622 343165163 /nfs/dbraw/zinc/16/51/63/343165163.db2.gz SHRWPEYEJUMAIS-UHFFFAOYSA-N 0 0 197.303 2.109 10 0 AEAERN CC(C)Cn1nc(C(C)C)cc1N 37291348 343165249 /nfs/dbraw/zinc/16/52/49/343165249.db2.gz QXBSNMRBJZYCMQ-UHFFFAOYSA-N 0 0 181.283 2.245 10 0 AEAERN CCSCCCCC(C)=O 37331084 343165309 /nfs/dbraw/zinc/16/53/09/343165309.db2.gz LOCIQEKCPXHVTE-UHFFFAOYSA-N 0 0 160.282 2.499 10 0 AEAERN COC(=O)CCCSCC(C)C 37287028 343165350 /nfs/dbraw/zinc/16/53/50/343165350.db2.gz HEBVZFHFLGPPRT-UHFFFAOYSA-N 0 0 190.308 2.329 10 0 AEAERN CC(=O)CCCOc1ccccc1 37330204 343165514 /nfs/dbraw/zinc/16/55/14/343165514.db2.gz PTJYQTLCUCKWMM-UHFFFAOYSA-N 0 0 178.231 2.435 10 0 AEAERN CCCCS[C@@H](C)C(C)=O 37351845 343165759 /nfs/dbraw/zinc/16/57/59/343165759.db2.gz ICWXAODQAWBVND-QMMMGPOBSA-N 0 0 160.282 2.497 10 0 AEAERN CCCc1ccc(C(=O)COC)cc1 37346700 343165953 /nfs/dbraw/zinc/16/59/53/343165953.db2.gz JDVIXKFHQNOZCP-UHFFFAOYSA-N 0 0 192.258 2.468 10 0 AEAERN CCCCS[C@H](C)C(C)=O 37351847 343165965 /nfs/dbraw/zinc/16/59/65/343165965.db2.gz ICWXAODQAWBVND-MRVPVSSYSA-N 0 0 160.282 2.497 10 0 AEAERN CCSCC(=O)c1ccc(O)cc1 37353155 343166008 /nfs/dbraw/zinc/16/60/08/343166008.db2.gz KFGSFCKSKRHXOW-UHFFFAOYSA-N 0 0 196.271 2.328 10 0 AEAERN C[NH+](C)C1(C(=O)[O-])CCCCCCC1 37358042 343166329 /nfs/dbraw/zinc/16/63/29/343166329.db2.gz VYAOZBJZMAZWMH-UHFFFAOYSA-N 0 0 199.294 2.116 10 0 AEAERN CCCN(C)c1nsnc1Cl 37372319 343166247 /nfs/dbraw/zinc/16/62/47/343166247.db2.gz ZTNRARJKUPWJLG-UHFFFAOYSA-N 0 0 191.687 2.038 10 0 AEAERN CC(C)N(C)c1nsnc1Cl 37372188 343166253 /nfs/dbraw/zinc/16/62/53/343166253.db2.gz JKALCJDQLZESNK-UHFFFAOYSA-N 0 0 191.687 2.036 10 0 AEAERN CC[C@H](C)Nc1nsnc1Cl 37372216 343166534 /nfs/dbraw/zinc/16/65/34/343166534.db2.gz KFANWQNTVNGZHP-BYPYZUCNSA-N 0 0 191.687 2.402 10 0 AEAERN CC(C)[C@]1(O)CCc2ccccc21 37376150 343166586 /nfs/dbraw/zinc/16/65/86/343166586.db2.gz NVAYLQYJGRVLCD-GFCCVEGCSA-N 0 0 176.259 2.476 10 0 AEAERN CC(C)[C@@]1(O)CCc2ccccc21 37376153 343166594 /nfs/dbraw/zinc/16/65/94/343166594.db2.gz NVAYLQYJGRVLCD-LBPRGKRZSA-N 0 0 176.259 2.476 10 0 AEAERN CC(C)Nc1nsnc1Cl 37372210 343166613 /nfs/dbraw/zinc/16/66/13/343166613.db2.gz FVQHMBIXXUMKAU-UHFFFAOYSA-N 0 0 177.660 2.012 10 0 AEAERN CC[C@@](C)(O)c1ccccc1F 37379505 343166801 /nfs/dbraw/zinc/16/68/01/343166801.db2.gz OSUXDRNMAFEFBP-SNVBAGLBSA-N 0 0 168.211 2.443 10 0 AEAERN CC[C@](C)(O)c1ccccc1F 37379502 343166927 /nfs/dbraw/zinc/16/69/27/343166927.db2.gz OSUXDRNMAFEFBP-JTQLQIEISA-N 0 0 168.211 2.443 10 0 AEAERN C[C@](O)(C1CCCC1)C1CC1 37380408 343167345 /nfs/dbraw/zinc/16/73/45/343167345.db2.gz DQJZEJMVMHMZSO-JTQLQIEISA-N 0 0 154.253 2.338 10 0 AEAERN Cc1ccc(N(C)C(C)C)c(N)c1 37401126 343167533 /nfs/dbraw/zinc/16/75/33/343167533.db2.gz YRQWKCVBXGIXRW-UHFFFAOYSA-N 0 0 178.279 2.422 10 0 AEAERN Cc1ccc(NCC2CC2)c(N)c1 37401221 343167619 /nfs/dbraw/zinc/16/76/19/343167619.db2.gz BATAFUYKCZVKCM-UHFFFAOYSA-N 0 0 176.263 2.399 10 0 AEAERN Cc1c(C)c(C)c(C(N)=O)c(C)c1C 37389769 343167802 /nfs/dbraw/zinc/16/78/02/343167802.db2.gz RQYIVGQOACNGEZ-UHFFFAOYSA-N 0 0 191.274 2.328 10 0 AEAERN CCCN(C)c1cccc(F)c1N 37419561 343168111 /nfs/dbraw/zinc/16/81/11/343168111.db2.gz VGCBUWBESCYTJH-UHFFFAOYSA-N 0 0 182.242 2.254 10 0 AEAERN CC[C@](C)(O)c1ccc(F)cc1 37415627 343168172 /nfs/dbraw/zinc/16/81/72/343168172.db2.gz KPDTUPSHLLGIDD-JTQLQIEISA-N 0 0 168.211 2.443 10 0 AEAERN CN(c1cccc(F)c1N)C1CC1 37419546 343168204 /nfs/dbraw/zinc/16/82/04/343168204.db2.gz RLLQNZCOGYGBFX-UHFFFAOYSA-N 0 0 180.226 2.007 10 0 AEAERN CC(C)N(C)c1cccc(F)c1N 37419017 343168211 /nfs/dbraw/zinc/16/82/11/343168211.db2.gz RYVNJVLRRNQFKS-UHFFFAOYSA-N 0 0 182.242 2.253 10 0 AEAERN CCc1c(-c2ccoc2C)noc1N 37413282 343168254 /nfs/dbraw/zinc/16/82/54/343168254.db2.gz PRDAHWOKFJWPTF-UHFFFAOYSA-N 0 0 192.218 2.388 10 0 AEAERN Cc1cc(=O)c2cc(F)c(F)cc2[nH]1 37412930 343168313 /nfs/dbraw/zinc/16/83/13/343168313.db2.gz GZXZHHUCOFFJNI-UHFFFAOYSA-N 0 0 195.168 2.115 10 0 AEAERN CC(C)n1c(N)nc2c(F)cccc21 37421067 343168375 /nfs/dbraw/zinc/16/83/75/343168375.db2.gz WOUNUFUMWRMDOS-UHFFFAOYSA-N 0 0 193.225 2.339 10 0 AEAERN CC[C@@](C)(O)c1ccc(F)cc1 37415629 343168389 /nfs/dbraw/zinc/16/83/89/343168389.db2.gz KPDTUPSHLLGIDD-SNVBAGLBSA-N 0 0 168.211 2.443 10 0 AEAERN CC[C@@]1(O)CCc2ccccc2C1 37460406 343168786 /nfs/dbraw/zinc/16/87/86/343168786.db2.gz KTWPVGMXTSASRM-GFCCVEGCSA-N 0 0 176.259 2.316 10 0 AEAERN Cc1cccc(C(=O)c2cnccn2)c1 37464295 343169042 /nfs/dbraw/zinc/16/90/42/343169042.db2.gz AZDXAOUCUQOLGN-UHFFFAOYSA-N 0 0 198.225 2.016 10 0 AEAERN Cc1cccc(C(=O)c2ncccn2)c1 37464351 343169099 /nfs/dbraw/zinc/16/90/99/343169099.db2.gz WIVVBMQYCJOZEL-UHFFFAOYSA-N 0 0 198.225 2.016 10 0 AEAERN Cc1ccc(C2CC(O)C2)cc1 37461717 343169127 /nfs/dbraw/zinc/16/91/27/343169127.db2.gz XYTUNMGXRHYXKR-UHFFFAOYSA-N 0 0 162.232 2.233 10 0 AEAERN Cc1cccc([C@@H](O)c2ccncc2)c1 37464858 343169196 /nfs/dbraw/zinc/16/91/96/343169196.db2.gz UFXLREQXDLDSPV-ZDUSSCGKSA-N 0 0 199.253 2.472 10 0 AEAERN Cc1ccc(C(=O)c2cnccn2)cc1 37464301 343169225 /nfs/dbraw/zinc/16/92/25/343169225.db2.gz DIBLUACIGIQQDP-UHFFFAOYSA-N 0 0 198.225 2.016 10 0 AEAERN Cc1cccc([C@H](O)c2ccncc2)c1 37464856 343169245 /nfs/dbraw/zinc/16/92/45/343169245.db2.gz UFXLREQXDLDSPV-CYBMUJFWSA-N 0 0 199.253 2.472 10 0 AEAERN Cc1ccc([C@@H](O)c2cccnc2)cc1 37464790 343169256 /nfs/dbraw/zinc/16/92/56/343169256.db2.gz URXXOXSZRXUOIM-CYBMUJFWSA-N 0 0 199.253 2.472 10 0 AEAERN CC[C@@H](O)c1ccsc1 37464886 343169293 /nfs/dbraw/zinc/16/92/93/343169293.db2.gz RRLLNGGMIUFPSL-SSDOTTSWSA-N 0 0 142.223 2.192 10 0 AEAERN C[C@H](Nc1ccn(C)n1)C1(C)CC1 37471857 343170096 /nfs/dbraw/zinc/17/00/96/343170096.db2.gz ZSMUNTOSOOVLHA-QMMMGPOBSA-N 0 0 179.267 2.021 10 0 AEAERN CC(C)[C@H](C)N(C)c1ncccc1N 37504604 343171847 /nfs/dbraw/zinc/17/18/47/343171847.db2.gz NAYMCSBQMJWDJT-VIFPVBQESA-N 0 0 193.294 2.145 10 0 AEAERN Cc1cc(N[C@@H](C)C2CC2)nc(C)n1 37498706 343171867 /nfs/dbraw/zinc/17/18/67/343171867.db2.gz GZPQLOIPZHCMMN-QMMMGPOBSA-N 0 0 191.278 2.304 10 0 AEAERN CC(C)[C@@H](C)N(C)c1ncccc1N 37504603 343172008 /nfs/dbraw/zinc/17/20/08/343172008.db2.gz NAYMCSBQMJWDJT-SECBINFHSA-N 0 0 193.294 2.145 10 0 AEAERN CCCCNc1cc(C)nc(C)n1 37498407 343172022 /nfs/dbraw/zinc/17/20/22/343172022.db2.gz FTNPLPIRGSPBKQ-UHFFFAOYSA-N 0 0 179.267 2.305 10 0 AEAERN C=Cc1ccc(F)cc1N 37594111 343172292 /nfs/dbraw/zinc/17/22/92/343172292.db2.gz PSYCWOBYMJYYEK-UHFFFAOYSA-N 0 0 137.157 2.051 10 0 AEAERN Cc1ccc(C(=O)c2ccc(C)[nH]2)[nH]1 37624832 343172318 /nfs/dbraw/zinc/17/23/18/343172318.db2.gz PYSISZMLSLENLK-UHFFFAOYSA-N 0 0 188.230 2.191 10 0 AEAERN Cc1ccc(C(C)C)[nH]1 37624107 343172344 /nfs/dbraw/zinc/17/23/44/343172344.db2.gz XFOLOKYPQYBLQY-UHFFFAOYSA-N 0 0 123.199 2.447 10 0 AEAERN CC(=O)O[C@H](C)CCc1ccco1 37625437 343172372 /nfs/dbraw/zinc/17/23/72/343172372.db2.gz KGQQJUHLWXMQJK-MRVPVSSYSA-N 0 0 182.219 2.164 10 0 AEAERN CCCCC[C@H](O)CCC(C)(C)O 37625023 343172402 /nfs/dbraw/zinc/17/24/02/343172402.db2.gz UCIRNJYORXCGHC-JTQLQIEISA-N 0 0 188.311 2.479 10 0 AEAERN CCc1[nH]cc(C)c1C(C)=O 37624365 343172412 /nfs/dbraw/zinc/17/24/12/343172412.db2.gz UJKALQNGVGPAJM-UHFFFAOYSA-N 0 0 151.209 2.088 10 0 AEAERN CCC(=O)c1c(C)c[nH]c1C 37624404 343172559 /nfs/dbraw/zinc/17/25/59/343172559.db2.gz BZRMMPCTGFBIQJ-UHFFFAOYSA-N 0 0 151.209 2.224 10 0 AEAERN CC(=O)O[C@@H](C)CCc1ccco1 37625436 343172571 /nfs/dbraw/zinc/17/25/71/343172571.db2.gz KGQQJUHLWXMQJK-QMMMGPOBSA-N 0 0 182.219 2.164 10 0 AEAERN CCCCC[C@@H](O)CCC(C)(C)O 37625024 343172573 /nfs/dbraw/zinc/17/25/73/343172573.db2.gz UCIRNJYORXCGHC-SNVBAGLBSA-N 0 0 188.311 2.479 10 0 AEAERN Cc1c[nH]c2ccc(C=O)cc12 37632857 343172727 /nfs/dbraw/zinc/17/27/27/343172727.db2.gz SDFTVVRLUIUGNC-UHFFFAOYSA-N 0 0 159.188 2.289 10 0 AEAERN CCCCO[C@@H](C)SC(C)=O 37633655 343172765 /nfs/dbraw/zinc/17/27/65/343172765.db2.gz LTWKNWPEJBUNRW-MRVPVSSYSA-N 0 0 176.281 2.429 10 0 AEAERN CCCCCC1=C(O)CCC1=O 37630018 343172781 /nfs/dbraw/zinc/17/27/81/343172781.db2.gz WJFHZGWEIOVETL-UHFFFAOYSA-N 0 0 168.236 2.115 10 0 AEAERN CCCCSc1nccn1C 37627048 343172808 /nfs/dbraw/zinc/17/28/08/343172808.db2.gz AKYIZTHZDJIFFG-UHFFFAOYSA-N 0 0 170.281 2.312 10 0 AEAERN CCCCO[C@H](C)SC(C)=O 37633657 343172920 /nfs/dbraw/zinc/17/29/20/343172920.db2.gz LTWKNWPEJBUNRW-QMMMGPOBSA-N 0 0 176.281 2.429 10 0 AEAERN Cc1nc2cccc3c2n1CCC3 37637671 343172942 /nfs/dbraw/zinc/17/29/42/343172942.db2.gz JSNIFYYZXFYGOL-UHFFFAOYSA-N 0 0 172.231 2.291 10 0 AEAERN C=C/C=C/c1ccco1 37627536 343172985 /nfs/dbraw/zinc/17/29/85/343172985.db2.gz USWLXMQMWKPZQX-HWKANZROSA-N 0 0 120.151 2.479 10 0 AEAERN Cc1cc(C=O)cc2[nH]ccc12 37632859 343173028 /nfs/dbraw/zinc/17/30/28/343173028.db2.gz DVOSRLMUEKOLPD-UHFFFAOYSA-N 0 0 159.188 2.289 10 0 AEAERN CCCN(C)c1cc(N)cc(F)c1 37667942 343173182 /nfs/dbraw/zinc/17/31/82/343173182.db2.gz JCMIAZVDFQFINR-UHFFFAOYSA-N 0 0 182.242 2.254 10 0 AEAERN CC(C)N(C)c1cc(N)cc(F)c1 37666523 343173186 /nfs/dbraw/zinc/17/31/86/343173186.db2.gz CUSPXMIPURKDML-UHFFFAOYSA-N 0 0 182.242 2.253 10 0 AEAERN CN(c1cc(N)cc(F)c1)C1CC1 37667934 343173320 /nfs/dbraw/zinc/17/33/20/343173320.db2.gz KLCLXYDXIKQIFS-UHFFFAOYSA-N 0 0 180.226 2.007 10 0 AEAERN Cc1cccc(NCC(F)(F)F)n1 37670561 343173441 /nfs/dbraw/zinc/17/34/41/343173441.db2.gz ZCOPRVZARAEFGT-UHFFFAOYSA-N 0 0 190.168 2.364 10 0 AEAERN Cc1cnn(-c2ccc(F)cc2F)c1 37676741 343173642 /nfs/dbraw/zinc/17/36/42/343173642.db2.gz YYIMJHRFWRHNRN-UHFFFAOYSA-N 0 0 194.184 2.459 10 0 AEAERN Cc1cnn(-c2ccc(N)cc2C)c1 37676768 343173669 /nfs/dbraw/zinc/17/36/69/343173669.db2.gz XCMLAZFDBANXNR-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN Cc1cnn(-c2ccccc2C)c1 37676750 343173763 /nfs/dbraw/zinc/17/37/63/343173763.db2.gz ABTWFFCETLKZHT-UHFFFAOYSA-N 0 0 172.231 2.489 10 0 AEAERN Cc1cnn(-c2ccc(N)c(C)c2)c1 37676777 343173810 /nfs/dbraw/zinc/17/38/10/343173810.db2.gz PUQHOXHIHPCHDS-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN CC(C)SCc1csc(N)n1 37684853 343173877 /nfs/dbraw/zinc/17/38/77/343173877.db2.gz NEMFZVCQVVORCB-UHFFFAOYSA-N 0 0 188.321 2.367 10 0 AEAERN Cc1ccc(NC[C@@H](C)O)c(Cl)c1 37687845 343174061 /nfs/dbraw/zinc/17/40/61/343174061.db2.gz HNMIMZHUDSJWST-MRVPVSSYSA-N 0 0 199.681 2.441 10 0 AEAERN Cc1cc(N)ccc1SC[C@@H](C)O 37688091 343174080 /nfs/dbraw/zinc/17/40/80/343174080.db2.gz DQRVLKDXBMLTHN-MRVPVSSYSA-N 0 0 197.303 2.050 10 0 AEAERN CC(C)S[C@@H]1CCCC1=O 37687537 343174098 /nfs/dbraw/zinc/17/40/98/343174098.db2.gz UHDDVUDAQISQHI-MRVPVSSYSA-N 0 0 158.266 2.250 10 0 AEAERN CC[C@H](O)CNc1ccccc1F 37688556 343174101 /nfs/dbraw/zinc/17/41/01/343174101.db2.gz DXKWQPYYZONXQK-QMMMGPOBSA-N 0 0 183.226 2.009 10 0 AEAERN CC[C@@H](O)CNc1ccc(F)cc1 37688549 343174137 /nfs/dbraw/zinc/17/41/37/343174137.db2.gz DCRONLZCKDNBJB-SNVBAGLBSA-N 0 0 183.226 2.009 10 0 AEAERN Cc1ccc(NC[C@H](C)O)c(Cl)c1 37687846 343174152 /nfs/dbraw/zinc/17/41/52/343174152.db2.gz HNMIMZHUDSJWST-QMMMGPOBSA-N 0 0 199.681 2.441 10 0 AEAERN Cc1ccc(SC[C@H](C)O)c(N)c1 37688090 343174168 /nfs/dbraw/zinc/17/41/68/343174168.db2.gz DUBRFDWAQNLFQC-QMMMGPOBSA-N 0 0 197.303 2.050 10 0 AEAERN CC[C@@H](O)CNc1cc(F)ccc1C 37688573 343174174 /nfs/dbraw/zinc/17/41/74/343174174.db2.gz NDQSPABUUQQZMR-SNVBAGLBSA-N 0 0 197.253 2.317 10 0 AEAERN Cc1ccc(SC[C@@H](C)O)c(N)c1 37688089 343174187 /nfs/dbraw/zinc/17/41/87/343174187.db2.gz DUBRFDWAQNLFQC-MRVPVSSYSA-N 0 0 197.303 2.050 10 0 AEAERN CC[C@H](O)CNc1ccc(F)cc1 37688548 343174225 /nfs/dbraw/zinc/17/42/25/343174225.db2.gz DCRONLZCKDNBJB-JTQLQIEISA-N 0 0 183.226 2.009 10 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2.012 10 0 AEAERN Cc1ccc(NCC(C)(C)O)c(F)c1 37692259 343174716 /nfs/dbraw/zinc/17/47/16/343174716.db2.gz QYELIBPACCQLOJ-UHFFFAOYSA-N 0 0 197.253 2.317 10 0 AEAERN Cc1ccc(F)cc1NCC(C)(C)O 37692236 343174778 /nfs/dbraw/zinc/17/47/78/343174778.db2.gz MQIFYBRLOAXVCZ-UHFFFAOYSA-N 0 0 197.253 2.317 10 0 AEAERN Cc1ccc(OCC(C)(C)O)c(C)c1 37695121 343176132 /nfs/dbraw/zinc/17/61/32/343176132.db2.gz HNGZTDGGUXRJET-UHFFFAOYSA-N 0 0 194.274 2.453 10 0 AEAERN CC(C)S[C@H]1CCC[C@@H]1O 37697392 343176209 /nfs/dbraw/zinc/17/62/09/343176209.db2.gz WKEQKUUEMDRZRN-YUMQZZPRSA-N 0 0 160.282 2.041 10 0 AEAERN Cc1ccc(OCC(C)(C)O)cc1C 37695532 343176273 /nfs/dbraw/zinc/17/62/73/343176273.db2.gz YKJCNNAOUGMVBF-UHFFFAOYSA-N 0 0 194.274 2.453 10 0 AEAERN Cc1cc(C)cc(OCC(C)(C)O)c1 37695557 343176358 /nfs/dbraw/zinc/17/63/58/343176358.db2.gz DLFNLURUOORVRI-UHFFFAOYSA-N 0 0 194.274 2.453 10 0 AEAERN Cc1cccc(OCC(C)(C)O)c1 37695606 343176407 /nfs/dbraw/zinc/17/64/07/343176407.db2.gz FUIXFDCLMSDZAY-UHFFFAOYSA-N 0 0 180.247 2.145 10 0 AEAERN CC(C)S[C@@H]1CCC[C@H]1O 37697393 343176413 /nfs/dbraw/zinc/17/64/13/343176413.db2.gz WKEQKUUEMDRZRN-HTQZYQBOSA-N 0 0 160.282 2.041 10 0 AEAERN CCCN(C)C(=O)c1ccccc1F 37735345 343177039 /nfs/dbraw/zinc/17/70/39/343177039.db2.gz DBABWCPHCMLOHR-UHFFFAOYSA-N 0 0 195.237 2.308 10 0 AEAERN CC[C@H](C)[C@H](C)n1nccc1N 37745294 343177084 /nfs/dbraw/zinc/17/70/84/343177084.db2.gz FRSCKUZYQLNCJN-YUMQZZPRSA-N 0 0 167.256 2.072 10 0 AEAERN CCOc1ccc(C(N)=S)cc1C 37733851 343177176 /nfs/dbraw/zinc/17/71/76/343177176.db2.gz ZHNXIAOECMQARS-UHFFFAOYSA-N 0 0 195.287 2.028 10 0 AEAERN CC[C@H](C)[C@@H](C)n1nccc1N 37745292 343177426 /nfs/dbraw/zinc/17/74/26/343177426.db2.gz FRSCKUZYQLNCJN-JGVFFNPUSA-N 0 0 167.256 2.072 10 0 AEAERN Cc1ccc2oc([C@H](C)N)nc2c1 37746462 343177670 /nfs/dbraw/zinc/17/76/70/343177670.db2.gz GAXYEBXQJOAWKV-ZETCQYMHSA-N 0 0 176.219 2.156 10 0 AEAERN CC1CCC(O)(c2cccnc2)CC1 37761185 343177921 /nfs/dbraw/zinc/17/79/21/343177921.db2.gz UILKAXIBNXXGFZ-UHFFFAOYSA-N 0 0 191.274 2.479 10 0 AEAERN C[C@H]1CCC[C@](O)(c2cccnc2)C1 37761175 343177959 /nfs/dbraw/zinc/17/79/59/343177959.db2.gz VGUSOTIBZWBSLB-CMPLNLGQSA-N 0 0 191.274 2.479 10 0 AEAERN Cc1c(O)cccc1OCC(F)F 37756278 343177986 /nfs/dbraw/zinc/17/79/86/343177986.db2.gz CSOFNORECINJDJ-UHFFFAOYSA-N 0 0 188.173 2.345 10 0 AEAERN CC[C@H](C)[C@@](C)(O)c1cccnc1 37761339 343178039 /nfs/dbraw/zinc/17/80/39/343178039.db2.gz ZCAJZPQSEWKDEB-GXSJLCMTSA-N 0 0 179.263 2.335 10 0 AEAERN CC[C@H](C)Nc1ccc(=O)n(CC)c1 37773916 343178041 /nfs/dbraw/zinc/17/80/41/343178041.db2.gz NDNCVORNYZBRIW-VIFPVBQESA-N 0 0 194.278 2.079 10 0 AEAERN CC[C@H](C)[C@](C)(O)c1cccnc1 37761337 343178155 /nfs/dbraw/zinc/17/81/55/343178155.db2.gz ZCAJZPQSEWKDEB-ONGXEEELSA-N 0 0 179.263 2.335 10 0 AEAERN CC(C)Nc1ccc2nccnc2c1 37772939 343178178 /nfs/dbraw/zinc/17/81/78/343178178.db2.gz ILCGGIZKSWFKJK-UHFFFAOYSA-N 0 0 187.246 2.450 10 0 AEAERN CC[C@](O)(c1cccnc1)C(C)C 37761345 343178195 /nfs/dbraw/zinc/17/81/95/343178195.db2.gz XRRBANVBBMZOLO-LLVKDONJSA-N 0 0 179.263 2.335 10 0 AEAERN CC[C@@](O)(c1cccnc1)C(C)C 37761344 343178210 /nfs/dbraw/zinc/17/82/10/343178210.db2.gz XRRBANVBBMZOLO-NSHDSACASA-N 0 0 179.263 2.335 10 0 AEAERN CC(C)Nc1cccc2n[nH]cc12 37783703 343178391 /nfs/dbraw/zinc/17/83/91/343178391.db2.gz VBYKTKTXQXNGBH-UHFFFAOYSA-N 0 0 175.235 2.383 10 0 AEAERN C[C@H]1CCCN1c1ccc(CO)cc1 37911411 343180449 /nfs/dbraw/zinc/18/04/49/343180449.db2.gz CJWPWLVRFOMESX-JTQLQIEISA-N 0 0 191.274 2.168 10 0 AEAERN C[C@H]1CCCN1c1cccc(F)c1N 37910188 343180531 /nfs/dbraw/zinc/18/05/31/343180531.db2.gz OHTJHODOZYQBLS-QMMMGPOBSA-N 0 0 194.253 2.397 10 0 AEAERN CC[C@@H]1CCCN1c1ccc(N)cn1 37913071 343181049 /nfs/dbraw/zinc/18/10/49/343181049.db2.gz FEJBTCOTLDSQIQ-SNVBAGLBSA-N 0 0 191.278 2.043 10 0 AEAERN CN(CC1CC1)c1cc(N)cc(F)c1 37925051 343181467 /nfs/dbraw/zinc/18/14/67/343181467.db2.gz ZARNYZUGNKZKPP-UHFFFAOYSA-N 0 0 194.253 2.254 10 0 AEAERN CN(CC1CC1)c1ccccc1N 37925055 343181516 /nfs/dbraw/zinc/18/15/16/343181516.db2.gz FXZSTXLGRHIZTB-UHFFFAOYSA-N 0 0 176.263 2.115 10 0 AEAERN CN(CC1CC1)c1ccc(N)cc1F 37924993 343181541 /nfs/dbraw/zinc/18/15/41/343181541.db2.gz WODPNKKEEVBRFC-UHFFFAOYSA-N 0 0 194.253 2.254 10 0 AEAERN Cc1ccc(N(C)CC2CC2)c(N)c1 37925001 343181669 /nfs/dbraw/zinc/18/16/69/343181669.db2.gz UXFSMCSCCOTZJR-UHFFFAOYSA-N 0 0 190.290 2.423 10 0 AEAERN CN(CC1CC1)c1cccc(N)c1 37925044 343181677 /nfs/dbraw/zinc/18/16/77/343181677.db2.gz LDSWLORMAXTHLD-UHFFFAOYSA-N 0 0 176.263 2.115 10 0 AEAERN CN(CC1CC1)c1cccc(F)c1N 37925046 343181683 /nfs/dbraw/zinc/18/16/83/343181683.db2.gz ABOAJNJBDSLWHD-UHFFFAOYSA-N 0 0 194.253 2.254 10 0 AEAERN CCc1ccc(C(=N)OC)cc1 37927990 343182087 /nfs/dbraw/zinc/18/20/87/343182087.db2.gz OXVMQHCEHLUDLD-UHFFFAOYSA-N 0 0 163.220 2.221 10 0 AEAERN COC(=N)c1ccc([C@H]2C[C@H]2C)o1 37928095 343182265 /nfs/dbraw/zinc/18/22/65/343182265.db2.gz TTZXDRKZELIGDX-RQJHMYQMSA-N 0 0 179.219 2.375 10 0 AEAERN Cc1ccccc1-c1ncc[nH]1 37974126 343183040 /nfs/dbraw/zinc/18/30/40/343183040.db2.gz GUKULMCQRHXQPR-UHFFFAOYSA-N 0 0 158.204 2.385 10 0 AEAERN CC(C)Nc1c(F)cc(N)cc1F 38039859 343183437 /nfs/dbraw/zinc/18/34/37/343183437.db2.gz SDIDKYDEXPHKEV-UHFFFAOYSA-N 0 0 186.205 2.367 10 0 AEAERN CN(c1c(F)cc(N)cc1F)C1CC1 38040049 343183635 /nfs/dbraw/zinc/18/36/35/343183635.db2.gz FGZFDLVHNHWFKK-UHFFFAOYSA-N 0 0 198.216 2.146 10 0 AEAERN Cc1cccc2oc([C@@H](C)N)nc12 38052775 343183915 /nfs/dbraw/zinc/18/39/15/343183915.db2.gz XDUNJGPBYDYJMG-SSDOTTSWSA-N 0 0 176.219 2.156 10 0 AEAERN CSCC(=O)Cc1ccc(F)cc1 38064035 343183986 /nfs/dbraw/zinc/18/39/86/343183986.db2.gz CHTZXLYBSICJGX-UHFFFAOYSA-N 0 0 198.262 2.300 10 0 AEAERN Cc1cccc2oc([C@H](C)N)nc12 38052776 343184112 /nfs/dbraw/zinc/18/41/12/343184112.db2.gz XDUNJGPBYDYJMG-ZETCQYMHSA-N 0 0 176.219 2.156 10 0 AEAERN CSCC(=O)Cc1ccccc1 38064005 343184131 /nfs/dbraw/zinc/18/41/31/343184131.db2.gz GCQCFDXXDHSNST-UHFFFAOYSA-N 0 0 180.272 2.161 10 0 AEAERN CC[C@@](C)(CO)Nc1ccc(F)cc1 38113956 343184729 /nfs/dbraw/zinc/18/47/29/343184729.db2.gz VOLKKKYHSMRCNX-NSHDSACASA-N 0 0 197.253 2.399 10 0 AEAERN CC[C@@H](CO)Nc1ccccc1C 38113237 343184752 /nfs/dbraw/zinc/18/47/52/343184752.db2.gz MLSYOZVSSGYZRV-JTQLQIEISA-N 0 0 179.263 2.178 10 0 AEAERN C[C@H](CO)Nc1cccc(Cl)c1 38113890 343184756 /nfs/dbraw/zinc/18/47/56/343184756.db2.gz AKEIFIHOMWXUPM-SSDOTTSWSA-N 0 0 185.654 2.133 10 0 AEAERN CC[C@H](CO)Nc1cccc(C)c1 38115363 343184786 /nfs/dbraw/zinc/18/47/86/343184786.db2.gz NFMNSHYBVOZOFC-SNVBAGLBSA-N 0 0 179.263 2.178 10 0 AEAERN CC[C@H](CO)Nc1ccccc1C 38113238 343184790 /nfs/dbraw/zinc/18/47/90/343184790.db2.gz MLSYOZVSSGYZRV-SNVBAGLBSA-N 0 0 179.263 2.178 10 0 AEAERN Cc1cccc(NC(C)(C)CO)c1 38115115 343184795 /nfs/dbraw/zinc/18/47/95/343184795.db2.gz UBKSWNIHILJTJL-UHFFFAOYSA-N 0 0 179.263 2.178 10 0 AEAERN CC[C@@](C)(CO)Nc1cccc(F)c1 38119030 343184824 /nfs/dbraw/zinc/18/48/24/343184824.db2.gz GNIKWKUPSDZITH-NSHDSACASA-N 0 0 197.253 2.399 10 0 AEAERN CC[C@@](C)(CO)Nc1ccccc1F 38119696 343184836 /nfs/dbraw/zinc/18/48/36/343184836.db2.gz RYKNBBUGLMTBBZ-NSHDSACASA-N 0 0 197.253 2.399 10 0 AEAERN CC[C@@H](CO)Nc1cccc(C)c1 38115362 343184869 /nfs/dbraw/zinc/18/48/69/343184869.db2.gz NFMNSHYBVOZOFC-JTQLQIEISA-N 0 0 179.263 2.178 10 0 AEAERN C[C@](CO)(Nc1ccccc1)C1CC1 38112665 343184875 /nfs/dbraw/zinc/18/48/75/343184875.db2.gz RJYXMRMAQJXENH-GFCCVEGCSA-N 0 0 191.274 2.260 10 0 AEAERN CC[C@](C)(CO)Nc1ccc(F)cc1 38113957 343184877 /nfs/dbraw/zinc/18/48/77/343184877.db2.gz VOLKKKYHSMRCNX-LLVKDONJSA-N 0 0 197.253 2.399 10 0 AEAERN CC[C@@](C)(CO)Nc1ccccc1 38112554 343184981 /nfs/dbraw/zinc/18/49/81/343184981.db2.gz LRKNVPRWGGDYKZ-NSHDSACASA-N 0 0 179.263 2.260 10 0 AEAERN CC[C@](C)(CO)Nc1ccccc1F 38119697 343185014 /nfs/dbraw/zinc/18/50/14/343185014.db2.gz RYKNBBUGLMTBBZ-LLVKDONJSA-N 0 0 197.253 2.399 10 0 AEAERN C[C@H]1C[C@H]1C(=O)Cc1ccccc1 38127046 343185241 /nfs/dbraw/zinc/18/52/41/343185241.db2.gz WMIYGIASJVRJMA-GXSJLCMTSA-N 0 0 174.243 2.454 10 0 AEAERN CC/C=C\CCCC(=O)OC 38191822 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343199670 /nfs/dbraw/zinc/19/96/70/343199670.db2.gz IORSUCVLRATMKY-UHFFFAOYSA-N 0 0 169.224 2.421 10 0 AEAERN CCc1cnc2c(n1)[C@@H](C)O[C@@H]2C 39114103 343200510 /nfs/dbraw/zinc/20/05/10/343200510.db2.gz NTENLQXPABMSEP-RNFRBKRXSA-N 0 0 178.235 2.191 10 0 AEAERN CC1=N[C@@H]2[C@@H](C)C[C@@H](C)[C@H]2N=C1C 39114149 343200535 /nfs/dbraw/zinc/20/05/35/343200535.db2.gz DXAPDPKCNTZGKA-LRMGWDNHSA-N 0 0 178.279 2.335 10 0 AEAERN CCCC(=O)c1ncc(C)nc1C 39114092 343200545 /nfs/dbraw/zinc/20/05/45/343200545.db2.gz SOUSMWWPHLACOI-UHFFFAOYSA-N 0 0 178.235 2.076 10 0 AEAERN Cc1nc2cccc(F)c2nc1C 39114024 343200627 /nfs/dbraw/zinc/20/06/27/343200627.db2.gz KVJCAQZBLZLANJ-UHFFFAOYSA-N 0 0 176.194 2.386 10 0 AEAERN CC1=N[C@@H]2[C@H](C)C[C@@H](C)[C@H]2N=C1C 39114151 343200665 /nfs/dbraw/zinc/20/06/65/343200665.db2.gz DXAPDPKCNTZGKA-JJHYMCDRSA-N 0 0 178.279 2.335 10 0 AEAERN Cc1nc2nc(C)c(C)nc2s1 39114166 343200668 /nfs/dbraw/zinc/20/06/68/343200668.db2.gz IBDDAFOQFKGJNS-UHFFFAOYSA-N 0 0 179.248 2.012 10 0 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AEAERN Clc1coc2cnccc12 39115952 343201604 /nfs/dbraw/zinc/20/16/04/343201604.db2.gz YXNHWHPYLNVQGF-UHFFFAOYSA-N 0 0 153.568 2.481 10 0 AEAERN CCc1nc2c(N)cccc2nc1C 39115244 343201611 /nfs/dbraw/zinc/20/16/11/343201611.db2.gz ATTOPEVGIMIWCQ-UHFFFAOYSA-N 0 0 187.246 2.083 10 0 AEAERN CC(C)[C@H](C)Sc1cc[n+]([O-])cc1 39117096 343201646 /nfs/dbraw/zinc/20/16/46/343201646.db2.gz QYNLUMVVHYEBBB-VIFPVBQESA-N 0 0 197.303 2.457 10 0 AEAERN CCCCCCOc1cc[n+]([O-])cc1 39116793 343201696 /nfs/dbraw/zinc/20/16/96/343201696.db2.gz SBYFQVXAFZZSRM-UHFFFAOYSA-N 0 0 195.262 2.279 10 0 AEAERN CN(C)C(=S)Sc1ccncc1 39117249 343201713 /nfs/dbraw/zinc/20/17/13/343201713.db2.gz ZZESELRKERDIMI-UHFFFAOYSA-N 0 0 198.316 2.020 10 0 AEAERN COc1ccc2c(c1)[C@@H](C(C)=O)CC2 39117188 343201748 /nfs/dbraw/zinc/20/17/48/343201748.db2.gz UOAIREURAJONBW-LLVKDONJSA-N 0 0 190.242 2.314 10 0 AEAERN CCc1c(OC)ccc(OC)c1C=O 39117380 343201757 /nfs/dbraw/zinc/20/17/57/343201757.db2.gz BCVUVQCXPLDFGR-UHFFFAOYSA-N 0 0 194.230 2.079 10 0 AEAERN CCc1cc(N)c(N)cc1Cl 39116444 343201814 /nfs/dbraw/zinc/20/18/14/343201814.db2.gz JYWWZEXHBQSUGV-UHFFFAOYSA-N 0 0 170.643 2.067 10 0 AEAERN O=c1ccc2c([nH]1)CCc1ccccc1-2 39117609 343201827 /nfs/dbraw/zinc/20/18/27/343201827.db2.gz MZMXOKROPMFPJF-UHFFFAOYSA-N 0 0 197.237 2.141 10 0 AEAERN CC[C@H](C)CSc1cc[n+]([O-])cc1 39117084 343201837 /nfs/dbraw/zinc/20/18/37/343201837.db2.gz IJMOXFGUKCPNCT-VIFPVBQESA-N 0 0 197.303 2.458 10 0 AEAERN OC[C@@H]1C[C@H]1CCc1ccccc1 39116634 343201841 /nfs/dbraw/zinc/20/18/41/343201841.db2.gz NKYZJKZTWSYBTN-NEPJUHHUSA-N 0 0 176.259 2.248 10 0 AEAERN CCc1ccc2nccnc2c1 39117953 343201843 /nfs/dbraw/zinc/20/18/43/343201843.db2.gz NHOOTVPICXUNMW-UHFFFAOYSA-N 0 0 158.204 2.192 10 0 AEAERN COc1ccc2c(c1)[C@H](C(C)=O)CC2 39117187 343201902 /nfs/dbraw/zinc/20/19/02/343201902.db2.gz UOAIREURAJONBW-NSHDSACASA-N 0 0 190.242 2.314 10 0 AEAERN CC(C)Sc1ncccc1NC=O 39117015 343201937 /nfs/dbraw/zinc/20/19/37/343201937.db2.gz UDDSXRVMWSRASN-UHFFFAOYSA-N 0 0 196.275 2.150 10 0 AEAERN Cc1cc2c(N)cccc2c(C)n1 39119708 343202072 /nfs/dbraw/zinc/20/20/72/343202072.db2.gz APTMQZHOLTYQBV-UHFFFAOYSA-N 0 0 172.231 2.434 10 0 AEAERN CCc1cc2c(N)cccc2cn1 39119724 343202084 /nfs/dbraw/zinc/20/20/84/343202084.db2.gz MKZBYSNGUDMVDZ-UHFFFAOYSA-N 0 0 172.231 2.379 10 0 AEAERN Cc1ncc(-c2ccc(O)cc2)cn1 39121260 343202095 /nfs/dbraw/zinc/20/20/95/343202095.db2.gz ZLXLJYPAHLTLAT-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN CC1COC(c2ccccc2O)OC1 39120259 343202116 /nfs/dbraw/zinc/20/21/16/343202116.db2.gz TWUZQXAMTQQUPN-UHFFFAOYSA-N 0 0 194.230 2.074 10 0 AEAERN Cc1ccnc(-c2ccc(O)cc2)n1 39121251 343202189 /nfs/dbraw/zinc/20/21/89/343202189.db2.gz FLKJUTDSSZUHTF-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1cc2ncccc2c(C)c1N 39119794 343202191 /nfs/dbraw/zinc/20/21/91/343202191.db2.gz SNLPCYJQWSWSJA-UHFFFAOYSA-N 0 0 172.231 2.434 10 0 AEAERN Cc1ccc(N)c2ccnc(C)c12 39119716 343202222 /nfs/dbraw/zinc/20/22/22/343202222.db2.gz FDVAUGDSRQQMOG-UHFFFAOYSA-N 0 0 172.231 2.434 10 0 AEAERN CC1(c2ccc(O)cc2)OCCCO1 39120265 343202241 /nfs/dbraw/zinc/20/22/41/343202241.db2.gz BLVQOJJKGIYORY-UHFFFAOYSA-N 0 0 194.230 2.002 10 0 AEAERN CN(C)c1cc2ccccc2cn1 39119714 343202275 /nfs/dbraw/zinc/20/22/75/343202275.db2.gz JCVIZDVDWHOCSQ-UHFFFAOYSA-N 0 0 172.231 2.301 10 0 AEAERN CN(C)c1ccc2c(c1)SCN2C 39119004 343202289 /nfs/dbraw/zinc/20/22/89/343202289.db2.gz DISBXPRCQNQNQW-UHFFFAOYSA-N 0 0 194.303 2.252 10 0 AEAERN Cc1ccnc2c(O)c(C=O)ccc12 39121350 343202309 /nfs/dbraw/zinc/20/23/09/343202309.db2.gz LXTBATDLJYJYLU-UHFFFAOYSA-N 0 0 187.198 2.061 10 0 AEAERN CN1CCc2cc(Cl)sc2C1 39123412 343202401 /nfs/dbraw/zinc/20/24/01/343202401.db2.gz LODRKBZVDBEJPB-UHFFFAOYSA-N 0 0 187.695 2.389 10 0 AEAERN Cc1cc2sccc2c(N)n1 39123437 343202430 /nfs/dbraw/zinc/20/24/30/343202430.db2.gz SLYSHGDQYNGBDF-UHFFFAOYSA-N 0 0 164.233 2.187 10 0 AEAERN CCc1scc(C)c1N 39122297 343202540 /nfs/dbraw/zinc/20/25/40/343202540.db2.gz IIGBMSKTURWTGV-UHFFFAOYSA-N 0 0 141.239 2.201 10 0 AEAERN CCCC(=S)N(CC)CC 39124562 343202575 /nfs/dbraw/zinc/20/25/75/343202575.db2.gz XSDYVJCOVSBGAP-UHFFFAOYSA-N 0 0 159.298 2.456 10 0 AEAERN Cc1cc2c(O)cncc2s1 39123459 343202597 /nfs/dbraw/zinc/20/25/97/343202597.db2.gz MGODXLGJOFDSCC-UHFFFAOYSA-N 0 0 165.217 2.310 10 0 AEAERN CCc1csc(C)c1N 39122299 343202614 /nfs/dbraw/zinc/20/26/14/343202614.db2.gz LJWIKOMTNBCITD-UHFFFAOYSA-N 0 0 141.239 2.201 10 0 AEAERN Cc1nccc2c1SCC2 39123453 343202687 /nfs/dbraw/zinc/20/26/87/343202687.db2.gz XBWLTCJWNJPAIP-UHFFFAOYSA-N 0 0 151.234 2.038 10 0 AEAERN CN(C)C(=S)CC(C)(C)C 39124545 343202694 /nfs/dbraw/zinc/20/26/94/343202694.db2.gz MYFROXPLWSEONJ-UHFFFAOYSA-N 0 0 159.298 2.312 10 0 AEAERN Cc1cc(Cl)c(O)c(C)n1 39125469 343202707 /nfs/dbraw/zinc/20/27/07/343202707.db2.gz QWXYCUYAVXZWOW-UHFFFAOYSA-N 0 0 157.600 2.057 10 0 AEAERN CC(=O)[C@@H](F)c1ccccc1 39125598 343202738 /nfs/dbraw/zinc/20/27/38/343202738.db2.gz UXFMWGAEKWXBIP-SECBINFHSA-N 0 0 152.168 2.286 10 0 AEAERN CCCCCC[C@H](CF)NC(C)=O 39128534 343202873 /nfs/dbraw/zinc/20/28/73/343202873.db2.gz CZQJRTYZAPPVTD-SNVBAGLBSA-N 0 0 189.274 2.431 10 0 AEAERN CC(C)(F)C(=O)C(C)(C)F 39125611 343202877 /nfs/dbraw/zinc/20/28/77/343202877.db2.gz BXRHFIWZEMIFMU-UHFFFAOYSA-N 0 0 150.168 2.052 10 0 AEAERN CCCCN(COC(C)C)C(C)=O 39126134 343202887 /nfs/dbraw/zinc/20/28/87/343202887.db2.gz LKMYIFRAJLPZGS-UHFFFAOYSA-N 0 0 187.283 2.018 10 0 AEAERN CCCCCC[C@@H](CF)NC(C)=O 39128533 343202997 /nfs/dbraw/zinc/20/29/97/343202997.db2.gz CZQJRTYZAPPVTD-JTQLQIEISA-N 0 0 189.274 2.431 10 0 AEAERN Cc1cc(Cl)c(O)c(N)c1C 39128400 343203095 /nfs/dbraw/zinc/20/30/95/343203095.db2.gz JLUNPDYEPZTCFK-UHFFFAOYSA-N 0 0 171.627 2.245 10 0 AEAERN Cc1cc(=O)c(Cl)c(C)s1 39128416 343203111 /nfs/dbraw/zinc/20/31/11/343203111.db2.gz DLHSKWWOYCYYTQ-UHFFFAOYSA-N 0 0 174.652 2.379 10 0 AEAERN Cc1nc(-c2ccccn2)[nH]c1C 39132555 343203112 /nfs/dbraw/zinc/20/31/12/343203112.db2.gz AWFZWWNKPBOWLR-UHFFFAOYSA-N 0 0 173.219 2.089 10 0 AEAERN CCc1[nH]cnc1-c1cccnc1 39133202 343203262 /nfs/dbraw/zinc/20/32/62/343203262.db2.gz CHSUJCFGCWEMFX-UHFFFAOYSA-N 0 0 173.219 2.034 10 0 AEAERN Cc1cc2cc(C)c(C)cn2n1 39133859 343203303 /nfs/dbraw/zinc/20/33/03/343203303.db2.gz QETPARXIDDMESR-UHFFFAOYSA-N 0 0 160.220 2.260 10 0 AEAERN CCc1ccc(N=O)c(O)c1 39133603 343203306 /nfs/dbraw/zinc/20/33/06/343203306.db2.gz LLNIHYXJFAKTND-UHFFFAOYSA-N 0 0 151.165 2.353 10 0 AEAERN Cc1cc(O)c(N=O)cc1C 39133602 343203339 /nfs/dbraw/zinc/20/33/39/343203339.db2.gz ZBZJFFMKNCVEOR-UHFFFAOYSA-N 0 0 151.165 2.407 10 0 AEAERN CCC(=O)c1scnc1C 39134783 343203708 /nfs/dbraw/zinc/20/37/08/343203708.db2.gz MMSGSMLFOUBSHA-UHFFFAOYSA-N 0 0 155.222 2.044 10 0 AEAERN Cc1nc2ccccc2nc1F 39134311 343203881 /nfs/dbraw/zinc/20/38/81/343203881.db2.gz QZOFHGRCSSJICR-UHFFFAOYSA-N 0 0 162.167 2.077 10 0 AEAERN Cc1cc2c(N)c(O)ccc2o1 39136026 343203951 /nfs/dbraw/zinc/20/39/51/343203951.db2.gz HWEXUDMHLBQRKT-UHFFFAOYSA-N 0 0 163.176 2.029 10 0 AEAERN CCc1nc(-c2ccncc2)c[nH]1 39136850 343204370 /nfs/dbraw/zinc/20/43/70/343204370.db2.gz RRHSJERXOOITCS-UHFFFAOYSA-N 0 0 173.219 2.034 10 0 AEAERN Cc1cc2c(F)c(N)ccc2o1 39136483 343204390 /nfs/dbraw/zinc/20/43/90/343204390.db2.gz ICNXDIWJMSHNTA-UHFFFAOYSA-N 0 0 165.167 2.463 10 0 AEAERN CCCCCN(C)C(=O)CCC 39139342 343204431 /nfs/dbraw/zinc/20/44/31/343204431.db2.gz BIEPJOYPUBXGDZ-UHFFFAOYSA-N 0 0 171.284 2.435 10 0 AEAERN C[C@H](O)c1ccc2occc2c1 39136497 343204438 /nfs/dbraw/zinc/20/44/38/343204438.db2.gz PEZBLWQGTBTVEA-ZETCQYMHSA-N 0 0 162.188 2.486 10 0 AEAERN C[C@@H](O)c1cccc2ccoc12 39136502 343204440 /nfs/dbraw/zinc/20/44/40/343204440.db2.gz OYGYJQSFGYCBGS-SSDOTTSWSA-N 0 0 162.188 2.486 10 0 AEAERN CCC(=O)Nc1cccc(O)c1C 39138889 343204479 /nfs/dbraw/zinc/20/44/79/343204479.db2.gz LPVDXJGKOZWWJF-UHFFFAOYSA-N 0 0 179.219 2.049 10 0 AEAERN Cc1nc(-c2ccncc2)c(C)[nH]1 39136849 343204497 /nfs/dbraw/zinc/20/44/97/343204497.db2.gz SARGZCKWLBIBJB-UHFFFAOYSA-N 0 0 173.219 2.089 10 0 AEAERN Cc1coc2cc(O)cc(O)c12 39136494 343204507 /nfs/dbraw/zinc/20/45/07/343204507.db2.gz FTVQNMRXEJKVMG-UHFFFAOYSA-N 0 0 164.160 2.152 10 0 AEAERN Cc1cc2c(N)c(F)ccc2o1 39136515 343204518 /nfs/dbraw/zinc/20/45/18/343204518.db2.gz FTZVDIDBBAENCW-UHFFFAOYSA-N 0 0 165.167 2.463 10 0 AEAERN Cc1cc2c(CO)cccc2o1 39136488 343204526 /nfs/dbraw/zinc/20/45/26/343204526.db2.gz BQUQMQCOXBBACY-UHFFFAOYSA-N 0 0 162.188 2.234 10 0 AEAERN Cc1cc2cc(CO)ccc2o1 39136487 343204543 /nfs/dbraw/zinc/20/45/43/343204543.db2.gz FXPMHIDZJOYHHL-UHFFFAOYSA-N 0 0 162.188 2.234 10 0 AEAERN CCc1c[nH]c(-c2ccncc2)n1 39136859 343204590 /nfs/dbraw/zinc/20/45/90/343204590.db2.gz DBPPSGOSAOUEAU-UHFFFAOYSA-N 0 0 173.219 2.034 10 0 AEAERN C[C@H](NO)c1cc2ccccc2o1 39147906 343204710 /nfs/dbraw/zinc/20/47/10/343204710.db2.gz JWNIIUSWKMZAFP-ZETCQYMHSA-N 0 0 177.203 2.473 10 0 AEAERN O=C1CCC2CCC1CC2 39147400 343204991 /nfs/dbraw/zinc/20/49/91/343204991.db2.gz KUUFRMQQLNQXLF-UHFFFAOYSA-N 0 0 138.210 2.156 10 0 AEAERN CCc1cnn2c(Cl)cc(C)nc12 39168966 343205055 /nfs/dbraw/zinc/20/50/55/343205055.db2.gz LAIQFRPXRDLDQG-UHFFFAOYSA-N 0 0 195.653 2.254 10 0 AEAERN C=Cc1cc(OC)ccc1C=O 39168215 343205121 /nfs/dbraw/zinc/20/51/21/343205121.db2.gz XHBRIGZFTPXAJH-UHFFFAOYSA-N 0 0 162.188 2.151 10 0 AEAERN COc1ccc(OC)c(C(C)=O)c1C 39168915 343205148 /nfs/dbraw/zinc/20/51/48/343205148.db2.gz YGKYFEQWHMRSTL-UHFFFAOYSA-N 0 0 194.230 2.215 10 0 AEAERN C=C=Cc1ccc(OC)cc1 39168087 343205163 /nfs/dbraw/zinc/20/51/63/343205163.db2.gz VFWWHPHTDJPSRP-UHFFFAOYSA-N 0 0 146.189 2.493 10 0 AEAERN CSc1nccn1CC(C)C 39184910 343205222 /nfs/dbraw/zinc/20/52/22/343205222.db2.gz LLNGDIUFNGZYNH-UHFFFAOYSA-N 0 0 170.281 2.261 10 0 AEAERN O[C@H](/C=C/c1ccccc1)C1CC1 39168450 343205225 /nfs/dbraw/zinc/20/52/25/343205225.db2.gz USWTZERBQDTXDI-UVMWJGKXSA-N 0 0 174.243 2.471 10 0 AEAERN C=Cc1ccc(C)c(C(=O)OC)c1 39185010 343205228 /nfs/dbraw/zinc/20/52/28/343205228.db2.gz WHJGCEWGYCEIEX-UHFFFAOYSA-N 0 0 176.215 2.425 10 0 AEAERN O[C@@H](/C=C/c1ccccc1)C1CC1 39168449 343205248 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/nfs/dbraw/zinc/21/34/12/343213412.db2.gz JJKKSFKDVVBXMP-UHFFFAOYSA-N 0 0 135.186 2.072 10 0 AEAERN Cc1ccccc1[C@H]1CCC(=O)O1 39648489 343213537 /nfs/dbraw/zinc/21/35/37/343213537.db2.gz FUQSAFHTKUQGRQ-SNVBAGLBSA-N 0 0 176.215 2.373 10 0 AEAERN COCCc1ccc(C)cc1 39648549 343213608 /nfs/dbraw/zinc/21/36/08/343213608.db2.gz JKGUZHDCTVIIJB-UHFFFAOYSA-N 0 0 150.221 2.184 10 0 AEAERN CCCCCc1cc[nH]n1 39647351 343213766 /nfs/dbraw/zinc/21/37/66/343213766.db2.gz LMSMYUKVOSQHIT-UHFFFAOYSA-N 0 0 138.214 2.142 10 0 AEAERN Cc1cc(C)c(C=O)c(O)c1C 40175351 343215593 /nfs/dbraw/zinc/21/55/93/343215593.db2.gz HMDZYDQJTVRBKN-UHFFFAOYSA-N 0 0 164.204 2.130 10 0 AEAERN CCc1nc(-c2ccc(C)cc2)n[nH]1 40175795 343215859 /nfs/dbraw/zinc/21/58/59/343215859.db2.gz LJCGKSDXJZGJBI-UHFFFAOYSA-N 0 0 187.246 2.343 10 0 AEAERN CC[C@@](C)(O)c1cccs1 40237529 343216038 /nfs/dbraw/zinc/21/60/38/343216038.db2.gz ZPUDREYCRJQOQT-MRVPVSSYSA-N 0 0 156.250 2.366 10 0 AEAERN Cc1ccc([C@H](O)[C@H]2CCCO2)s1 40242122 343216080 /nfs/dbraw/zinc/21/60/80/343216080.db2.gz QUALIAGTGLHQOI-PSASIEDQSA-N 0 0 198.287 2.269 10 0 AEAERN CC(C)[C@@H](O)c1ccc2c(c1)CCO2 40245488 343216117 /nfs/dbraw/zinc/21/61/17/343216117.db2.gz HBOCLFFXGKUSFO-GFCCVEGCSA-N 0 0 192.258 2.311 10 0 AEAERN Cc1ccc([C@@H](O)[C@@H]2CCCO2)cc1 40244276 343216138 /nfs/dbraw/zinc/21/61/38/343216138.db2.gz XYQWZVRQFSIHKE-NWDGAFQWSA-N 0 0 192.258 2.207 10 0 AEAERN CC[C@](C)(O)c1cccs1 40237527 343216151 /nfs/dbraw/zinc/21/61/51/343216151.db2.gz ZPUDREYCRJQOQT-QMMMGPOBSA-N 0 0 156.250 2.366 10 0 AEAERN CC[C@H](O)c1ccc2c(c1)CCCO2 40264677 343216153 /nfs/dbraw/zinc/21/61/53/343216153.db2.gz AAJZRIOOKMFXJI-NSHDSACASA-N 0 0 192.258 2.455 10 0 AEAERN CC[C@H](O)c1ccc2c(c1)C[C@@H](C)O2 40261655 343216160 /nfs/dbraw/zinc/21/61/60/343216160.db2.gz GULKHMITJQFHBY-KCJUWKMLSA-N 0 0 192.258 2.453 10 0 AEAERN Cc1ccc([C@H](O)[C@H]2CCCO2)cc1 40244277 343216181 /nfs/dbraw/zinc/21/61/81/343216181.db2.gz XYQWZVRQFSIHKE-NEPJUHHUSA-N 0 0 192.258 2.207 10 0 AEAERN C[C@](O)(c1cccs1)C1CC1 40237535 343216208 /nfs/dbraw/zinc/21/62/08/343216208.db2.gz JQDAACXUCLWBIV-SECBINFHSA-N 0 0 168.261 2.366 10 0 AEAERN CC[C@H](O)c1ccc(OC)cc1F 40263420 343216221 /nfs/dbraw/zinc/21/62/21/343216221.db2.gz WHTGLXBEAUROBC-JTQLQIEISA-N 0 0 184.210 2.278 10 0 AEAERN CC(C)[C@H](O)c1ccc2c(c1)CCO2 40245487 343216230 /nfs/dbraw/zinc/21/62/30/343216230.db2.gz HBOCLFFXGKUSFO-LBPRGKRZSA-N 0 0 192.258 2.311 10 0 AEAERN Cc1ccc([C@H](O)[C@@H]2CCCO2)s1 40242120 343216251 /nfs/dbraw/zinc/21/62/51/343216251.db2.gz QUALIAGTGLHQOI-WCBMZHEXSA-N 0 0 198.287 2.269 10 0 AEAERN Cc1ccc([C@@H](O)[C@H]2CCCO2)cc1 40244278 343216276 /nfs/dbraw/zinc/21/62/76/343216276.db2.gz XYQWZVRQFSIHKE-VXGBXAGGSA-N 0 0 192.258 2.207 10 0 AEAERN CC[C@H](O)c1ccc2c(c1)C[C@H](C)O2 40261653 343216313 /nfs/dbraw/zinc/21/63/13/343216313.db2.gz GULKHMITJQFHBY-KWQFWETISA-N 0 0 192.258 2.453 10 0 AEAERN C[C@H](O)c1ccc2c(c1)CCCO2 40264797 343216403 /nfs/dbraw/zinc/21/64/03/343216403.db2.gz XTURLSUHRPPBCS-QMMMGPOBSA-N 0 0 178.231 2.065 10 0 AEAERN CCCC[C@@H](CC)C(=O)N[C@H](C)C#N 40350279 343216456 /nfs/dbraw/zinc/21/64/56/343216456.db2.gz PGJQQRMNNODTMH-NXEZZACHSA-N 0 0 196.294 2.231 10 0 AEAERN CCCC[C@H](CC)C(=O)N[C@H](C)C#N 40350280 343216553 /nfs/dbraw/zinc/21/65/53/343216553.db2.gz PGJQQRMNNODTMH-ZJUUUORDSA-N 0 0 196.294 2.231 10 0 AEAERN CCc1ccc(-c2nnco2)cc1 40350545 343216622 /nfs/dbraw/zinc/21/66/22/343216622.db2.gz XJFZBEMPECJBHK-UHFFFAOYSA-N 0 0 174.203 2.299 10 0 AEAERN Cc1nn(-c2ccccn2)c(C)c1C 40415114 343217837 /nfs/dbraw/zinc/21/78/37/343217837.db2.gz DJEFQTSRDRSROH-UHFFFAOYSA-N 0 0 187.246 2.193 10 0 AEAERN CCc1nc2scc(C)n2c1C=O 40439331 343218264 /nfs/dbraw/zinc/21/82/64/343218264.db2.gz NIXQFADDXAFOJD-UHFFFAOYSA-N 0 0 194.259 2.079 10 0 AEAERN Cc1c(Cl)nn(C)c1Cl 40442694 343218480 /nfs/dbraw/zinc/21/84/80/343218480.db2.gz CIWULABPOIGMEU-UHFFFAOYSA-N 0 0 165.023 2.035 10 0 AEAERN Cc1cc(C(=O)CO)c(C)c(C)c1C 40449561 343218581 /nfs/dbraw/zinc/21/85/81/343218581.db2.gz YORCAUNRNNOPAH-UHFFFAOYSA-N 0 0 192.258 2.095 10 0 AEAERN C[C@H](CCO)c1cccs1 41167293 343230558 /nfs/dbraw/zinc/23/05/58/343230558.db2.gz ICFUJVLYPZYJFH-SSDOTTSWSA-N 0 0 156.250 2.234 10 0 AEAERN Cc1cc(C)c(C(=O)CO)c(C)c1C 40449555 343218908 /nfs/dbraw/zinc/21/89/08/343218908.db2.gz VNLZHWDCEPEECF-UHFFFAOYSA-N 0 0 192.258 2.095 10 0 AEAERN Cc1nc(N)c2c(C)c(C)sc2n1 40538544 343219786 /nfs/dbraw/zinc/21/97/86/343219786.db2.gz FFWGXZMUHSKCDR-UHFFFAOYSA-N 0 0 193.275 2.199 10 0 AEAERN CC(C)Nc1cccc(F)n1 40711853 343221279 /nfs/dbraw/zinc/22/12/79/343221279.db2.gz RDKUYXYJHYQCGA-UHFFFAOYSA-N 0 0 154.188 2.041 10 0 AEAERN CCCN(C)c1cccc(F)n1 40712017 343221295 /nfs/dbraw/zinc/22/12/95/343221295.db2.gz FRSYVOIXDYEZEA-UHFFFAOYSA-N 0 0 168.215 2.067 10 0 AEAERN CC[C@H](C)N(C)c1cccc(F)n1 40712023 343221332 /nfs/dbraw/zinc/22/13/32/343221332.db2.gz MYRXVAFNZLWYPN-QMMMGPOBSA-N 0 0 182.242 2.455 10 0 AEAERN Cc1cc(N2CC[C@H](C)C2)ccc1N 40717707 343221591 /nfs/dbraw/zinc/22/15/91/343221591.db2.gz YGFAQCGZBNMLEE-VIFPVBQESA-N 0 0 190.290 2.423 10 0 AEAERN C[C@H]1CCN(c2ccc(CO)cc2)C1 40718753 343221665 /nfs/dbraw/zinc/22/16/65/343221665.db2.gz OXEPNXILRCYGBZ-JTQLQIEISA-N 0 0 191.274 2.025 10 0 AEAERN C[C@H]1CCN(c2ccccc2N)C1 40717814 343221694 /nfs/dbraw/zinc/22/16/94/343221694.db2.gz IVJLMLDUMMBPRH-VIFPVBQESA-N 0 0 176.263 2.115 10 0 AEAERN Cc1cc(N2CC[C@@H](C)C2)ccc1N 40717709 343221715 /nfs/dbraw/zinc/22/17/15/343221715.db2.gz YGFAQCGZBNMLEE-SECBINFHSA-N 0 0 190.290 2.423 10 0 AEAERN C[C@H]1CCN(c2ccc(C=O)cc2)C1 40718538 343221749 /nfs/dbraw/zinc/22/17/49/343221749.db2.gz QPGLCROWYCQXCS-JTQLQIEISA-N 0 0 189.258 2.345 10 0 AEAERN C[C@H]1CCN(c2ccc(N)cc2F)C1 40717656 343221907 /nfs/dbraw/zinc/22/19/07/343221907.db2.gz NLYXJMCTWHFOLB-QMMMGPOBSA-N 0 0 194.253 2.254 10 0 AEAERN C[C@H]1CCN(c2ccccc2CO)C1 40718772 343221935 /nfs/dbraw/zinc/22/19/35/343221935.db2.gz PHIJQNVFQQVLIV-JTQLQIEISA-N 0 0 191.274 2.025 10 0 AEAERN C[C@H]1CCN(c2cc(N)cc(F)c2)C1 40717793 343221945 /nfs/dbraw/zinc/22/19/45/343221945.db2.gz FVEVNIAMUNBIBU-QMMMGPOBSA-N 0 0 194.253 2.254 10 0 AEAERN Cc1cc(N[C@@H](C)C(C)C)ncn1 40727113 343222057 /nfs/dbraw/zinc/22/20/57/343222057.db2.gz DHYSXJWLKLPFCQ-VIFPVBQESA-N 0 0 179.267 2.241 10 0 AEAERN CCCCCNc1cc(C)ncn1 40727028 343222067 /nfs/dbraw/zinc/22/20/67/343222067.db2.gz JQBGJNGVNFRKGF-UHFFFAOYSA-N 0 0 179.267 2.387 10 0 AEAERN Cc1cc(N[C@H](C)C(C)C)ncn1 40727115 343222112 /nfs/dbraw/zinc/22/21/12/343222112.db2.gz DHYSXJWLKLPFCQ-SECBINFHSA-N 0 0 179.267 2.241 10 0 AEAERN CCc1cc(N[C@@H](C)C(C)C)ncn1 40765075 343223082 /nfs/dbraw/zinc/22/30/82/343223082.db2.gz DFTIQGHLCGICGV-VIFPVBQESA-N 0 0 193.294 2.495 10 0 AEAERN CC[C@H](O)Cc1ccccc1OC 40907312 343223951 /nfs/dbraw/zinc/22/39/51/343223951.db2.gz OXRATULXYSQKOY-JTQLQIEISA-N 0 0 180.247 2.009 10 0 AEAERN CC[C@@H](O)Cc1ccccc1OC 40907313 343224414 /nfs/dbraw/zinc/22/44/14/343224414.db2.gz OXRATULXYSQKOY-SNVBAGLBSA-N 0 0 180.247 2.009 10 0 AEAERN Cc1cnn([C@H](C)C2CC2)c1 40932282 343224495 /nfs/dbraw/zinc/22/44/95/343224495.db2.gz PHCNKOHWCKCMKU-MRVPVSSYSA-N 0 0 150.225 2.163 10 0 AEAERN Cc1cnn([C@@H](C)C2CC2)c1 40932281 343224565 /nfs/dbraw/zinc/22/45/65/343224565.db2.gz PHCNKOHWCKCMKU-QMMMGPOBSA-N 0 0 150.225 2.163 10 0 AEAERN CC[C@@H](C)n1cc(C)cn1 40931550 343224651 /nfs/dbraw/zinc/22/46/51/343224651.db2.gz AYWYCNRJTFXRNA-MRVPVSSYSA-N 0 0 138.214 2.163 10 0 AEAERN Cc1nn([C@@H](C)C2CC2)c(C)c1N 40932287 343224686 /nfs/dbraw/zinc/22/46/86/343224686.db2.gz WQFXJWLKFABUMQ-ZETCQYMHSA-N 0 0 179.267 2.053 10 0 AEAERN CC[C@H](C)n1ncc(C(C)=O)c1C 40930761 343224726 /nfs/dbraw/zinc/22/47/26/343224726.db2.gz MTEXFXVNWRLKHV-ZETCQYMHSA-N 0 0 180.251 2.365 10 0 AEAERN Cc1ccc(C(=O)[C@H]2CCOC2)s1 40941736 343224758 /nfs/dbraw/zinc/22/47/58/343224758.db2.gz BJXOSQQHXGYTOR-QMMMGPOBSA-N 0 0 196.271 2.276 10 0 AEAERN CC[C@H](C)n1cc(C)cn1 40931552 343224813 /nfs/dbraw/zinc/22/48/13/343224813.db2.gz AYWYCNRJTFXRNA-QMMMGPOBSA-N 0 0 138.214 2.163 10 0 AEAERN CC(C)c1nn(C(C)C)cc1C=O 40926335 343224828 /nfs/dbraw/zinc/22/48/28/343224828.db2.gz RRSBOFAAIKTSQB-UHFFFAOYSA-N 0 0 180.251 2.400 10 0 AEAERN Cc1nn(C(C)C)c(Cl)c1C=O 41043542 343226326 /nfs/dbraw/zinc/22/63/26/343226326.db2.gz MTHUWHNTVSAPNT-UHFFFAOYSA-N 0 0 186.642 2.238 10 0 AEAERN Cc1cccc(N[C@@H](CO)C2CC2)c1 41047693 343227166 /nfs/dbraw/zinc/22/71/66/343227166.db2.gz RPYRTDWRMUTPLJ-LBPRGKRZSA-N 0 0 191.274 2.178 10 0 AEAERN Cc1ccc(N[C@@H](CO)C2CC2)cc1 41047677 343227187 /nfs/dbraw/zinc/22/71/87/343227187.db2.gz WRWUCHCJTSLHGH-LBPRGKRZSA-N 0 0 191.274 2.178 10 0 AEAERN Cc1cccc(-c2csc(=O)[nH]2)c1 41046986 343227263 /nfs/dbraw/zinc/22/72/63/343227263.db2.gz WBOXXUFGTNBEQP-UHFFFAOYSA-N 0 0 191.255 2.412 10 0 AEAERN Cc1ccc(N[C@@H](CO)C(C)C)cc1 41049623 343227444 /nfs/dbraw/zinc/22/74/44/343227444.db2.gz AMQQCEXDCAQGBS-LBPRGKRZSA-N 0 0 193.290 2.424 10 0 AEAERN Cc1nn(C)c(C)c1NCC(C)(C)C 41051167 343227530 /nfs/dbraw/zinc/22/75/30/343227530.db2.gz JFKZMEYRQAHFIW-UHFFFAOYSA-N 0 0 195.310 2.495 10 0 AEAERN Cc1ccc(N[C@H](CO)C(C)C)cc1 41049624 343227541 /nfs/dbraw/zinc/22/75/41/343227541.db2.gz AMQQCEXDCAQGBS-GFCCVEGCSA-N 0 0 193.290 2.424 10 0 AEAERN CC(C)[C@H](CO)Nc1ccccc1F 41049664 343227582 /nfs/dbraw/zinc/22/75/82/343227582.db2.gz DNGFNEHRNWEEJG-NSHDSACASA-N 0 0 197.253 2.255 10 0 AEAERN CC(C)[C@@H](CO)Nc1ccccc1F 41049663 343227721 /nfs/dbraw/zinc/22/77/21/343227721.db2.gz DNGFNEHRNWEEJG-LLVKDONJSA-N 0 0 197.253 2.255 10 0 AEAERN CC(C)c1n[nH]c([C@H]2C[C@@H]2C)n1 41057189 343228911 /nfs/dbraw/zinc/22/89/11/343228911.db2.gz DRJNZNXWXZCXSN-BQBZGAKWSA-N 0 0 165.240 2.052 10 0 AEAERN CC[C@H](C)c1nnc(C2CC2)[nH]1 41057706 343228965 /nfs/dbraw/zinc/22/89/65/343228965.db2.gz LFZHKZHRPGFFGY-LURJTMIESA-N 0 0 165.240 2.196 10 0 AEAERN CC[C@H](C)c1nc(C(C)C)n[nH]1 41057213 343228984 /nfs/dbraw/zinc/22/89/84/343228984.db2.gz LKMZDHCYGAAADC-ZETCQYMHSA-N 0 0 167.256 2.442 10 0 AEAERN CC(C)c1n[nH]c([C@@H]2C[C@H]2C)n1 41057191 343229000 /nfs/dbraw/zinc/22/90/00/343229000.db2.gz DRJNZNXWXZCXSN-RNFRBKRXSA-N 0 0 165.240 2.052 10 0 AEAERN CCCCCc1nc(C2CC2)n[nH]1 41057624 343229092 /nfs/dbraw/zinc/22/90/92/343229092.db2.gz LLVLVPQAKWTTHJ-UHFFFAOYSA-N 0 0 179.267 2.415 10 0 AEAERN CC(C)c1n[nH]c([C@H]2C[C@H]2C)n1 41057187 343229163 /nfs/dbraw/zinc/22/91/63/343229163.db2.gz DRJNZNXWXZCXSN-RQJHMYQMSA-N 0 0 165.240 2.052 10 0 AEAERN Cc1ccoc1-c1nc(C(C)C)n[nH]1 41057209 343229172 /nfs/dbraw/zinc/22/91/72/343229172.db2.gz FTCAOCPMSVKQMK-UHFFFAOYSA-N 0 0 191.234 2.497 10 0 AEAERN Cc1ccc(-c2nc(C(C)C)n[nH]2)o1 41057085 343229230 /nfs/dbraw/zinc/22/92/30/343229230.db2.gz CWZWXIUWVRAMNI-UHFFFAOYSA-N 0 0 191.234 2.497 10 0 AEAERN CC(C)c1n[nH]c([C@@H]2C[C@@H]2C)n1 41057193 343229286 /nfs/dbraw/zinc/22/92/86/343229286.db2.gz DRJNZNXWXZCXSN-NKWVEPMBSA-N 0 0 165.240 2.052 10 0 AEAERN CC(C)c1n[nH]c(C2CCC2)n1 41057205 343229317 /nfs/dbraw/zinc/22/93/17/343229317.db2.gz NOVPELOZOMHDRJ-UHFFFAOYSA-N 0 0 165.240 2.196 10 0 AEAERN CC(C)c1nnc(C(C)(C)C)[nH]1 41160939 343230565 /nfs/dbraw/zinc/23/05/65/343230565.db2.gz XLBOTQYAYHDKCA-UHFFFAOYSA-N 0 0 167.256 2.226 10 0 AEAERN CCc1nc(C2CCCCC2)n[nH]1 41067338 343230599 /nfs/dbraw/zinc/23/05/99/343230599.db2.gz BKLQQBBBGLVFSV-UHFFFAOYSA-N 0 0 179.267 2.415 10 0 AEAERN CCc1nc(C2CCCC2)n[nH]1 41067340 343230606 /nfs/dbraw/zinc/23/06/06/343230606.db2.gz TVMUDWAPOQWLDB-UHFFFAOYSA-N 0 0 165.240 2.025 10 0 AEAERN Cc1c[nH]c(-c2cccs2)n1 41167843 343231076 /nfs/dbraw/zinc/23/10/76/343231076.db2.gz QGZPFGGXYDANQO-UHFFFAOYSA-N 0 0 164.233 2.447 10 0 AEAERN CC[C@H](CO)c1ccc(C)cc1 41167852 343230816 /nfs/dbraw/zinc/23/08/16/343230816.db2.gz GGLYGZSSZNPZNN-SNVBAGLBSA-N 0 0 164.248 2.481 10 0 AEAERN CC[C@@H](CO)c1ccc(F)cc1 41168168 343230927 /nfs/dbraw/zinc/23/09/27/343230927.db2.gz WTBQOZKSGSSYEO-QMMMGPOBSA-N 0 0 168.211 2.312 10 0 AEAERN CC[C@@H](CO)c1ccc(C)cc1 41167850 343231121 /nfs/dbraw/zinc/23/11/21/343231121.db2.gz GGLYGZSSZNPZNN-JTQLQIEISA-N 0 0 164.248 2.481 10 0 AEAERN CC[C@H](CO)c1ccc(F)cc1 41168170 343231140 /nfs/dbraw/zinc/23/11/40/343231140.db2.gz WTBQOZKSGSSYEO-MRVPVSSYSA-N 0 0 168.211 2.312 10 0 AEAERN CN(N)c1ccc(C(C)(C)C)cc1 41200633 343231477 /nfs/dbraw/zinc/23/14/77/343231477.db2.gz CHWJCXQWXORRHM-UHFFFAOYSA-N 0 0 178.279 2.294 10 0 AEAERN COc1cccc(OC(F)F)c1 41198788 343231524 /nfs/dbraw/zinc/23/15/24/343231524.db2.gz ACBDTTZRCYKEOH-UHFFFAOYSA-N 0 0 174.146 2.297 10 0 AEAERN CC[C@@H]1C(=O)Nc2ccc(C)cc21 41199233 343231532 /nfs/dbraw/zinc/23/15/32/343231532.db2.gz YNNFKYSBOBOYGS-QMMMGPOBSA-N 0 0 175.231 2.441 10 0 AEAERN CCc1ccc(CC(N)=S)cc1 41201100 343231858 /nfs/dbraw/zinc/23/18/58/343231858.db2.gz CDSIWGGDUIQZJD-UHFFFAOYSA-N 0 0 179.288 2.078 10 0 AEAERN COCCCN(C)c1ccccc1 41200919 343231947 /nfs/dbraw/zinc/23/19/47/343231947.db2.gz FQXOPISPRAQVIR-UHFFFAOYSA-N 0 0 179.263 2.159 10 0 AEAERN CC[C@@H](CC(N)=O)c1ccc(C)cc1 41205414 343232156 /nfs/dbraw/zinc/23/21/56/343232156.db2.gz ANVCKTJWLQKYKF-JTQLQIEISA-N 0 0 191.274 2.364 10 0 AEAERN CN(N)c1ccc(C(F)(F)F)cc1 41204941 343232268 /nfs/dbraw/zinc/23/22/68/343232268.db2.gz VFHIBHMCBNIXIV-UHFFFAOYSA-N 0 0 190.168 2.015 10 0 AEAERN CNC(=O)C[C@@H](C)c1ccccc1F 41206973 343232408 /nfs/dbraw/zinc/23/24/08/343232408.db2.gz GDIHMJHZNQLWQR-MRVPVSSYSA-N 0 0 195.237 2.065 10 0 AEAERN CNC(=O)C[C@H](C)c1ccccc1F 41206972 343232482 /nfs/dbraw/zinc/23/24/82/343232482.db2.gz GDIHMJHZNQLWQR-QMMMGPOBSA-N 0 0 195.237 2.065 10 0 AEAERN Cc1ccc(O[C@H](C)C(N)=S)cc1 41207158 343232498 /nfs/dbraw/zinc/23/24/98/343232498.db2.gz OJKUMTLDDQTKBY-MRVPVSSYSA-N 0 0 195.287 2.048 10 0 AEAERN CNC(=O)C[C@@H](C)c1ccc(F)cc1 41206961 343232602 /nfs/dbraw/zinc/23/26/02/343232602.db2.gz CHYGPFQCLLNMNC-MRVPVSSYSA-N 0 0 195.237 2.065 10 0 AEAERN CNC(=O)C[C@H](C)c1ccc(F)cc1 41206960 343232690 /nfs/dbraw/zinc/23/26/90/343232690.db2.gz CHYGPFQCLLNMNC-QMMMGPOBSA-N 0 0 195.237 2.065 10 0 AEAERN Cc1cc(C)c(CC(N)=S)c(C)c1 41206534 343232713 /nfs/dbraw/zinc/23/27/13/343232713.db2.gz QWMWHIHKNKGSQU-UHFFFAOYSA-N 0 0 193.315 2.440 10 0 AEAERN Cc1cccc(NCCC(N)=S)c1 41206880 343232789 /nfs/dbraw/zinc/23/27/89/343232789.db2.gz WBAYCOBHKBEENP-UHFFFAOYSA-N 0 0 194.303 2.083 10 0 AEAERN Cc1cccc(C)c1OC(C)(C)CO 41206781 343232800 /nfs/dbraw/zinc/23/28/00/343232800.db2.gz YLDNKJHQFXQGPK-UHFFFAOYSA-N 0 0 194.274 2.453 10 0 AEAERN Cc1ccc(O[C@@H](C)C(N)=S)cc1 41207157 343232841 /nfs/dbraw/zinc/23/28/41/343232841.db2.gz OJKUMTLDDQTKBY-QMMMGPOBSA-N 0 0 195.287 2.048 10 0 AEAERN CCCCSc1nnc(C)n1CC 41360128 343232938 /nfs/dbraw/zinc/23/29/38/343232938.db2.gz HUGOHNWAEXVIRR-UHFFFAOYSA-N 0 0 199.323 2.499 10 0 AEAERN CCSc1nnc(C2CCC2)n1C 41359986 343233285 /nfs/dbraw/zinc/23/32/85/343233285.db2.gz NOIJOTGAFAVMAT-UHFFFAOYSA-N 0 0 197.307 2.195 10 0 AEAERN CCOCCSC(C)C 41363987 343233601 /nfs/dbraw/zinc/23/36/01/343233601.db2.gz HAQZVSLRGVWSDN-UHFFFAOYSA-N 0 0 148.271 2.165 10 0 AEAERN Cl/C=C/Cn1cc(Cl)cn1 41368045 343234439 /nfs/dbraw/zinc/23/44/39/343234439.db2.gz OYPQBELMIWMYIJ-OWOJBTEDSA-N 0 0 177.034 2.289 10 0 AEAERN c1ccc2c(c1)CCN2C1CC1 41391847 343234526 /nfs/dbraw/zinc/23/45/26/343234526.db2.gz CBQSYVNXICQKCN-UHFFFAOYSA-N 0 0 159.232 2.212 10 0 AEAERN Cc1ccc(C)c(NCCCO)c1 41571014 343234848 /nfs/dbraw/zinc/23/48/48/343234848.db2.gz GNPJKSMJTSHHME-UHFFFAOYSA-N 0 0 179.263 2.098 10 0 AEAERN Cc1ccc(NCCCO)cc1C 41571123 343234982 /nfs/dbraw/zinc/23/49/82/343234982.db2.gz VEPPPEURBZITFW-UHFFFAOYSA-N 0 0 179.263 2.098 10 0 AEAERN Cc1ccc(NCCCO)c(C)c1 41578738 343235061 /nfs/dbraw/zinc/23/50/61/343235061.db2.gz HZVIKVGOVXZSIM-UHFFFAOYSA-N 0 0 179.263 2.098 10 0 AEAERN Cc1cc(C)cc(NCCCO)c1 41578795 343235082 /nfs/dbraw/zinc/23/50/82/343235082.db2.gz OCRBWYDHVIDQSM-UHFFFAOYSA-N 0 0 179.263 2.098 10 0 AEAERN Cc1cccc(NCCCO)c1C 41570969 343235261 /nfs/dbraw/zinc/23/52/61/343235261.db2.gz LGLNWTXTOIWWMX-UHFFFAOYSA-N 0 0 179.263 2.098 10 0 AEAERN CC1(C)Cc2[nH]ccc2[C@H](O)C1 41712779 343235857 /nfs/dbraw/zinc/23/58/57/343235857.db2.gz HVOHLZALHQOSBL-SECBINFHSA-N 0 0 165.236 2.021 10 0 AEAERN Cc1cccc2c(=O)c(Cl)c[nH]c12 41701953 343235893 /nfs/dbraw/zinc/23/58/93/343235893.db2.gz JJBWBQRBVIXESP-UHFFFAOYSA-N 0 0 193.633 2.490 10 0 AEAERN Cc1cc2c([nH]1)CC(C)(C)C[C@H]2O 41712776 343235948 /nfs/dbraw/zinc/23/59/48/343235948.db2.gz JRAKERDTYDFWEH-SNVBAGLBSA-N 0 0 179.263 2.329 10 0 AEAERN Cc1cc2c(n1C)CC(C)(C)C[C@@H]2O 41713014 343235974 /nfs/dbraw/zinc/23/59/74/343235974.db2.gz WWBIWTVPMWJXBB-NSHDSACASA-N 0 0 193.290 2.339 10 0 AEAERN Cc1cc2c(n1C)CC(C)(C)C[C@H]2O 41713017 343236034 /nfs/dbraw/zinc/23/60/34/343236034.db2.gz WWBIWTVPMWJXBB-LLVKDONJSA-N 0 0 193.290 2.339 10 0 AEAERN CC(C)n1ccc2c1CCC[C@@H]2O 41713081 343236051 /nfs/dbraw/zinc/23/60/51/343236051.db2.gz UUQQHIXSYMWERV-NSHDSACASA-N 0 0 179.263 2.439 10 0 AEAERN CC(C)n1ccc2c1CCC[C@H]2O 41713085 343236091 /nfs/dbraw/zinc/23/60/91/343236091.db2.gz UUQQHIXSYMWERV-LLVKDONJSA-N 0 0 179.263 2.439 10 0 AEAERN CCn1ccc2c1CCCC2=O 41705078 343236135 /nfs/dbraw/zinc/23/61/35/343236135.db2.gz VDCUKKKSVKOZLA-UHFFFAOYSA-N 0 0 163.220 2.027 10 0 AEAERN FC(F)c1nc(-c2ccccc2)n[nH]1 42013464 343236275 /nfs/dbraw/zinc/23/62/75/343236275.db2.gz WVJHMFFUPITXJT-UHFFFAOYSA-N 0 0 195.172 2.409 10 0 AEAERN CC(C)C[S@@](=O)c1ccc(N)cc1 42196987 343237833 /nfs/dbraw/zinc/23/78/33/343237833.db2.gz DLMJRTCZOZQDPK-ZDUSSCGKSA-N 0 0 197.303 2.032 10 0 AEAERN CC1(Nc2ccncn2)CCCC1 42187569 343237845 /nfs/dbraw/zinc/23/78/45/343237845.db2.gz UFPINADFJMKLGZ-UHFFFAOYSA-N 0 0 177.251 2.221 10 0 AEAERN CC(C)C[S@](=O)c1ccc(N)cc1 42196989 343237875 /nfs/dbraw/zinc/23/78/75/343237875.db2.gz DLMJRTCZOZQDPK-CYBMUJFWSA-N 0 0 197.303 2.032 10 0 AEAERN CC[C@H](C)[S@@](=O)c1ccccc1N 42194291 343237925 /nfs/dbraw/zinc/23/79/25/343237925.db2.gz MLHKVWOITUMHSI-SDBXPKJASA-N 0 0 197.303 2.175 10 0 AEAERN CC[C@H](C)[S@](=O)c1ccccc1N 42194295 343237963 /nfs/dbraw/zinc/23/79/63/343237963.db2.gz MLHKVWOITUMHSI-ISVAXAHUSA-N 0 0 197.303 2.175 10 0 AEAERN CC(C)[C@H](NC(N)=O)c1cccs1 42227970 343238318 /nfs/dbraw/zinc/23/83/18/343238318.db2.gz BZADXXHPVLEAOM-QMMMGPOBSA-N 0 0 198.291 2.114 10 0 AEAERN CC(C)[C@@H](NC(N)=O)c1cccs1 42227974 343238435 /nfs/dbraw/zinc/23/84/35/343238435.db2.gz BZADXXHPVLEAOM-MRVPVSSYSA-N 0 0 198.291 2.114 10 0 AEAERN C[C@H](NC(N)=O)c1cccc(Cl)c1 42227891 343238480 /nfs/dbraw/zinc/23/84/80/343238480.db2.gz FGTSOUVYEPJBSG-LURJTMIESA-N 0 0 198.653 2.069 10 0 AEAERN Cc1ccnn1[C@@H](C)C1CC1 42355235 343240551 /nfs/dbraw/zinc/24/05/51/343240551.db2.gz BTPCWJAAZXALNT-QMMMGPOBSA-N 0 0 150.225 2.163 10 0 AEAERN Cc1ccnn1[C@H](C)C1CC1 42355238 343240941 /nfs/dbraw/zinc/24/09/41/343240941.db2.gz BTPCWJAAZXALNT-MRVPVSSYSA-N 0 0 150.225 2.163 10 0 AEAERN CC1(Nc2ncccc2N)CCCC1 42375819 343241100 /nfs/dbraw/zinc/24/11/00/343241100.db2.gz VOUJHOHEWGFKHN-UHFFFAOYSA-N 0 0 191.278 2.408 10 0 AEAERN Cc1c[nH]c(-c2cccc(C)c2N)n1 42414891 343241570 /nfs/dbraw/zinc/24/15/70/343241570.db2.gz XRCLROJCJNOZCA-UHFFFAOYSA-N 0 0 187.246 2.276 10 0 AEAERN CC(C)Oc1ccc2c(c1)[C@@H](O)CC2 42405511 343241611 /nfs/dbraw/zinc/24/16/11/343241611.db2.gz VZBXPBRTUIDOQI-LBPRGKRZSA-N 0 0 192.258 2.453 10 0 AEAERN Cc1c[nH]c(-c2cc(F)ccc2N)n1 42414894 343241642 /nfs/dbraw/zinc/24/16/42/343241642.db2.gz LGZPPOUFMBZVPB-UHFFFAOYSA-N 0 0 191.209 2.106 10 0 AEAERN Cc1c[nH]c(-c2c(C)cccc2N)n1 42414893 343241755 /nfs/dbraw/zinc/24/17/55/343241755.db2.gz KQNSHSAQTIFRDG-UHFFFAOYSA-N 0 0 187.246 2.276 10 0 AEAERN Cc1c[nH]c(-c2cccc(N)c2C)n1 42414889 343241816 /nfs/dbraw/zinc/24/18/16/343241816.db2.gz GUXFPQCABPWYOE-UHFFFAOYSA-N 0 0 187.246 2.276 10 0 AEAERN Cc1c[nH]c(-c2ccc(N)c(C)c2)n1 42414885 343241928 /nfs/dbraw/zinc/24/19/28/343241928.db2.gz WAOGXGGWTOJOFH-UHFFFAOYSA-N 0 0 187.246 2.276 10 0 AEAERN Cc1cnc(-c2cc(F)ccc2N)o1 42413499 343241942 /nfs/dbraw/zinc/24/19/42/343241942.db2.gz RRNFGGDIPRBZDV-UHFFFAOYSA-N 0 0 192.193 2.371 10 0 AEAERN Cc1ccc(-c2n[nH]cc2N)cc1C 42415055 343242007 /nfs/dbraw/zinc/24/20/07/343242007.db2.gz IUWARWMUHJYOSJ-UHFFFAOYSA-N 0 0 187.246 2.276 10 0 AEAERN Cc1ccc(-c2n[nH]cc2N)c(C)c1 42415064 343242067 /nfs/dbraw/zinc/24/20/67/343242067.db2.gz QRPVBAHLYWJBER-UHFFFAOYSA-N 0 0 187.246 2.276 10 0 AEAERN Cc1ccc(C)c(-c2n[nH]cc2N)c1 42415066 343242260 /nfs/dbraw/zinc/24/22/60/343242260.db2.gz POTJSJGUQBTKSX-UHFFFAOYSA-N 0 0 187.246 2.276 10 0 AEAERN C=CC(=O)N(C)[C@H]1CCC[C@H](C)C1 42494028 343244219 /nfs/dbraw/zinc/24/42/19/343244219.db2.gz ASLVPGTUWAIORT-UWVGGRQHSA-N 0 0 181.279 2.210 10 0 AEAERN C=CC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 42494029 343244506 /nfs/dbraw/zinc/24/45/06/343244506.db2.gz ASLVPGTUWAIORT-NXEZZACHSA-N 0 0 181.279 2.210 10 0 AEAERN C=CC(=O)N(C)[C@H]1CCC[C@@H](C)C1 42494027 343244531 /nfs/dbraw/zinc/24/45/31/343244531.db2.gz ASLVPGTUWAIORT-ZJUUUORDSA-N 0 0 181.279 2.210 10 0 AEAERN C=CC(=O)N(C)[C@@H]1CCC[C@H](C)C1 42494030 343244653 /nfs/dbraw/zinc/24/46/53/343244653.db2.gz ASLVPGTUWAIORT-VHSXEESVSA-N 0 0 181.279 2.210 10 0 AEAERN Cc1ccc(C)n1CCn1cccn1 42542578 343245770 /nfs/dbraw/zinc/24/57/70/343245770.db2.gz LLWBAOBWPLHZOW-UHFFFAOYSA-N 0 0 189.262 2.002 10 0 AEAERN C1=C[C@]2(C=Nc3ccccc32)COC1 42689579 343248267 /nfs/dbraw/zinc/24/82/67/343248267.db2.gz PPRDTJPDSTTYLH-LBPRGKRZSA-N 0 0 185.226 2.227 10 0 AEAERN CC[C@H](Nc1cnccn1)C(C)C 42591133 343248595 /nfs/dbraw/zinc/24/85/95/343248595.db2.gz ZIXVMBGBCSFWKW-VIFPVBQESA-N 0 0 179.267 2.323 10 0 AEAERN Cc1ccsc1C(=O)[C@@H]1CCCO1 42728563 343248934 /nfs/dbraw/zinc/24/89/34/343248934.db2.gz WXLALTUUMUQJRA-QMMMGPOBSA-N 0 0 196.271 2.418 10 0 AEAERN Cc1ccsc1C(=O)[C@@H]1CCOC1 42728674 343248982 /nfs/dbraw/zinc/24/89/82/343248982.db2.gz RBQZQSKTMABRHE-MRVPVSSYSA-N 0 0 196.271 2.276 10 0 AEAERN Cc1ccc2oc(CO)cc2c1 42894071 343250054 /nfs/dbraw/zinc/25/00/54/343250054.db2.gz FSDXPMZBNLRZNI-UHFFFAOYSA-N 0 0 162.188 2.234 10 0 AEAERN C[C@H]1CCCC[C@H]1CN1CCC(=O)C1 42863760 343250107 /nfs/dbraw/zinc/25/01/07/343250107.db2.gz TVUFHTAHWSMMBC-QWRGUYRKSA-N 0 0 195.306 2.088 10 0 AEAERN C[C@@H]1CCCC[C@@H]1CN1CCC(=O)C1 42863752 343250170 /nfs/dbraw/zinc/25/01/70/343250170.db2.gz TVUFHTAHWSMMBC-GHMZBOCLSA-N 0 0 195.306 2.088 10 0 AEAERN C[C@@H]1CCCC[C@H]1CN1CCC(=O)C1 42863757 343250187 /nfs/dbraw/zinc/25/01/87/343250187.db2.gz TVUFHTAHWSMMBC-MNOVXSKESA-N 0 0 195.306 2.088 10 0 AEAERN Cc1cc2c[nH]nc2cc1F 43220599 343250576 /nfs/dbraw/zinc/25/05/76/343250576.db2.gz OKOMINYURZHBRN-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN Cc1ccc(F)c2sc(=O)[nH]c12 43220506 343250589 /nfs/dbraw/zinc/25/05/89/343250589.db2.gz YRGHJEUHJUAQAT-UHFFFAOYSA-N 0 0 183.207 2.037 10 0 AEAERN Cc1cnc2[nH]ccc2c1C 43220661 343250604 /nfs/dbraw/zinc/25/06/04/343250604.db2.gz ZTRLHLICPBFDOZ-UHFFFAOYSA-N 0 0 146.193 2.180 10 0 AEAERN Cc1cc(F)nc2cc[nH]c12 43220705 343250967 /nfs/dbraw/zinc/25/09/67/343250967.db2.gz PRPFKUVPGXWTQS-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN Cc1c(F)ncc2cc[nH]c12 43220694 343251005 /nfs/dbraw/zinc/25/10/05/343251005.db2.gz HVEGSMZJSONLQU-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN CC[C@H](O)CNc1cccc(F)c1C 43320910 343251095 /nfs/dbraw/zinc/25/10/95/343251095.db2.gz NOINLDMNRWVGBI-VIFPVBQESA-N 0 0 197.253 2.317 10 0 AEAERN Cc1c(F)cccc1NCC(C)(C)O 43320929 343251201 /nfs/dbraw/zinc/25/12/01/343251201.db2.gz LYHGHXDDXRCSLA-UHFFFAOYSA-N 0 0 197.253 2.317 10 0 AEAERN CCCC[C@@H](O)C(F)(F)F 43368011 343251609 /nfs/dbraw/zinc/25/16/09/343251609.db2.gz XEFMITHAWQJMRT-RXMQYKEDSA-N 0 0 156.147 2.100 10 0 AEAERN CCC(O)(CC)C(F)(F)F 43367926 343251625 /nfs/dbraw/zinc/25/16/25/343251625.db2.gz ZIXNGPHTXATNAJ-UHFFFAOYSA-N 0 0 156.147 2.100 10 0 AEAERN CC[C@H](C)[C@@](C)(O)C(F)(F)F 43367773 343251653 /nfs/dbraw/zinc/25/16/53/343251653.db2.gz HWAOQANBKFAUMR-NTSWFWBYSA-N 0 0 170.174 2.346 10 0 AEAERN Cc1ccc([C@@](C)(O)C(F)(F)F)o1 43368145 343251694 /nfs/dbraw/zinc/25/16/94/343251694.db2.gz VQKIPJVKSHQBFE-SSDOTTSWSA-N 0 0 194.152 2.358 10 0 AEAERN C[C@@](O)(c1ccco1)C(F)(F)F 43368142 343251717 /nfs/dbraw/zinc/25/17/17/343251717.db2.gz UCFUCNMQNUZKCG-ZCFIWIBFSA-N 0 0 180.125 2.049 10 0 AEAERN O[C@@H]([C@H]1CC=CCC1)C(F)(F)F 43367928 343251760 /nfs/dbraw/zinc/25/17/60/343251760.db2.gz VOEKLBKZXUWACJ-BQBZGAKWSA-N 0 0 180.169 2.266 10 0 AEAERN O[C@H]([C@@H]1CC=CCC1)C(F)(F)F 43367929 343251778 /nfs/dbraw/zinc/25/17/78/343251778.db2.gz VOEKLBKZXUWACJ-RNFRBKRXSA-N 0 0 180.169 2.266 10 0 AEAERN CCCC[C@H](O)C(F)(F)F 43368010 343251802 /nfs/dbraw/zinc/25/18/02/343251802.db2.gz XEFMITHAWQJMRT-YFKPBYRVSA-N 0 0 156.147 2.100 10 0 AEAERN C[C@](O)(c1ccco1)C(F)(F)F 43368143 343251810 /nfs/dbraw/zinc/25/18/10/343251810.db2.gz UCFUCNMQNUZKCG-LURJTMIESA-N 0 0 180.125 2.049 10 0 AEAERN O[C@H]([C@H]1CC=CCC1)C(F)(F)F 43367930 343251839 /nfs/dbraw/zinc/25/18/39/343251839.db2.gz VOEKLBKZXUWACJ-NKWVEPMBSA-N 0 0 180.169 2.266 10 0 AEAERN O[C@@H]([C@@H]1CC=CCC1)C(F)(F)F 43367927 343251853 /nfs/dbraw/zinc/25/18/53/343251853.db2.gz VOEKLBKZXUWACJ-RQJHMYQMSA-N 0 0 180.169 2.266 10 0 AEAERN Cc1ccc([C@](C)(O)C(F)(F)F)o1 43368144 343251860 /nfs/dbraw/zinc/25/18/60/343251860.db2.gz VQKIPJVKSHQBFE-ZETCQYMHSA-N 0 0 194.152 2.358 10 0 AEAERN CCc1noc(N)c1CC(C)C 43375942 343251873 /nfs/dbraw/zinc/25/18/73/343251873.db2.gz ZTYDTRJJBJDKNO-UHFFFAOYSA-N 0 0 168.240 2.018 10 0 AEAERN Cc1cc(C(=O)C=O)ccc1Cl 43465268 343252360 /nfs/dbraw/zinc/25/23/60/343252360.db2.gz DUNABDHELCXJLH-UHFFFAOYSA-N 0 0 182.606 2.030 10 0 AEAERN CCCC[C@H](CC)C[C@H]([NH3+])C(=O)[O-] 43455165 343252374 /nfs/dbraw/zinc/25/23/74/343252374.db2.gz HIPFDSJQVKURRQ-IUCAKERBSA-N 0 0 187.283 2.005 10 0 AEAERN CCCC[C@@H](CC)C[C@@H]([NH3+])C(=O)[O-] 43455166 343252400 /nfs/dbraw/zinc/25/24/00/343252400.db2.gz HIPFDSJQVKURRQ-RKDXNWHRSA-N 0 0 187.283 2.005 10 0 AEAERN CCn1cc(C2(O)CCCCC2)cn1 43462912 343252402 /nfs/dbraw/zinc/25/24/02/343252402.db2.gz JDGKSKGCBUQDMT-UHFFFAOYSA-N 0 0 194.278 2.055 10 0 AEAERN CC(C)(O)Cc1cc(F)ccc1F 43459237 343252549 /nfs/dbraw/zinc/25/25/49/343252549.db2.gz YCMHBELXSOVTQR-UHFFFAOYSA-N 0 0 186.201 2.278 10 0 AEAERN CCCC[C@@H](CC)C[C@H]([NH3+])C(=O)[O-] 43455163 343252555 /nfs/dbraw/zinc/25/25/55/343252555.db2.gz HIPFDSJQVKURRQ-BDAKNGLRSA-N 0 0 187.283 2.005 10 0 AEAERN COCC(=O)c1cccc(SC)c1 43504932 343252667 /nfs/dbraw/zinc/25/26/67/343252667.db2.gz JSYTXYYWQPBKOQ-UHFFFAOYSA-N 0 0 196.271 2.238 10 0 AEAERN COCC(=O)C1CCC(C)CC1 43504902 343252673 /nfs/dbraw/zinc/25/26/73/343252673.db2.gz URYAGTOPVJCSFG-UHFFFAOYSA-N 0 0 170.252 2.028 10 0 AEAERN COCC(=O)c1cccc(C)c1C 43504822 343252679 /nfs/dbraw/zinc/25/26/79/343252679.db2.gz PPSCZGQVDLLURI-UHFFFAOYSA-N 0 0 178.231 2.133 10 0 AEAERN COCC(=O)c1ccccc1SC 43504931 343252694 /nfs/dbraw/zinc/25/26/94/343252694.db2.gz ZYJIEWBVFQIJJZ-UHFFFAOYSA-N 0 0 196.271 2.238 10 0 AEAERN C=Cc1cccc(C(=O)COC)c1 43504975 343252696 /nfs/dbraw/zinc/25/26/96/343252696.db2.gz QRNABFQAEVNRRQ-UHFFFAOYSA-N 0 0 176.215 2.159 10 0 AEAERN COCC(=O)c1ccc(C)c(Cl)c1 43504746 343252721 /nfs/dbraw/zinc/25/27/21/343252721.db2.gz IFKOTQKBVHTJLX-UHFFFAOYSA-N 0 0 198.649 2.478 10 0 AEAERN COCC(=O)c1ccc(Cl)cc1C 43504748 343252732 /nfs/dbraw/zinc/25/27/32/343252732.db2.gz YVHQLPHQAUCUGO-UHFFFAOYSA-N 0 0 198.649 2.478 10 0 AEAERN C=Cc1ccc(C(=O)COC)cc1 43504976 343252743 /nfs/dbraw/zinc/25/27/43/343252743.db2.gz JVJUNJZILOHODE-UHFFFAOYSA-N 0 0 176.215 2.159 10 0 AEAERN COCC(=O)C1CCCCCC1 43504757 343252759 /nfs/dbraw/zinc/25/27/59/343252759.db2.gz RLWDUEJULRHWBG-UHFFFAOYSA-N 0 0 170.252 2.172 10 0 AEAERN COCC(=O)c1cc(C)cc(Cl)c1 43504747 343252781 /nfs/dbraw/zinc/25/27/81/343252781.db2.gz CLSZYLWFPBTKRN-UHFFFAOYSA-N 0 0 198.649 2.478 10 0 AEAERN COCC(=O)c1c(C)cccc1C 43504823 343252795 /nfs/dbraw/zinc/25/27/95/343252795.db2.gz LBTREUYTVXSVCK-UHFFFAOYSA-N 0 0 178.231 2.133 10 0 AEAERN CCc1ccccc1C(=O)COC 43504833 343252805 /nfs/dbraw/zinc/25/28/05/343252805.db2.gz YODPTYUUPLPJDM-UHFFFAOYSA-N 0 0 178.231 2.078 10 0 AEAERN COCC(=O)c1cc(Cl)ccc1C 43504749 343252864 /nfs/dbraw/zinc/25/28/64/343252864.db2.gz NRPQMNDVZQZMTJ-UHFFFAOYSA-N 0 0 198.649 2.478 10 0 AEAERN CC[C@H](C)N(C)c1nccnc1Cl 43537673 343254896 /nfs/dbraw/zinc/25/48/96/343254896.db2.gz NMJYEUDEGXCHIY-ZETCQYMHSA-N 0 0 199.685 2.365 10 0 AEAERN Clc1nccnc1OC1CCCC1 43536575 343254939 /nfs/dbraw/zinc/25/49/39/343254939.db2.gz SRAYDYAEDJEXIP-UHFFFAOYSA-N 0 0 198.653 2.451 10 0 AEAERN CC(C)Sc1cc(N)ccn1 43569741 343255971 /nfs/dbraw/zinc/25/59/71/343255971.db2.gz FISORKQVGJEFAI-UHFFFAOYSA-N 0 0 168.265 2.164 10 0 AEAERN Cc1c[nH]c(-c2ccc(N)cc2F)n1 43571261 343256071 /nfs/dbraw/zinc/25/60/71/343256071.db2.gz DGNSQBYLFKOQES-UHFFFAOYSA-N 0 0 191.209 2.106 10 0 AEAERN C[C@H]1C[C@H]1C(=O)c1ccco1 43606576 343256395 /nfs/dbraw/zinc/25/63/95/343256395.db2.gz BLMHZCNFTKFWJC-NKWVEPMBSA-N 0 0 150.177 2.118 10 0 AEAERN Cc1ccc(C(=O)[C@H]2C[C@H]2C)o1 43609103 343256427 /nfs/dbraw/zinc/25/64/27/343256427.db2.gz IBMIWGHWTILLQZ-SVRRBLITSA-N 0 0 164.204 2.427 10 0 AEAERN Cc1cc(C(=O)[C@@H]2CCCO2)c(C)o1 43609452 343256436 /nfs/dbraw/zinc/25/64/36/343256436.db2.gz DVGFSRIAMNHNOT-JTQLQIEISA-N 0 0 194.230 2.258 10 0 AEAERN Cc1ccc(C(=O)c2ccco2)o1 43606705 343256446 /nfs/dbraw/zinc/25/64/46/343256446.db2.gz QEBUDMATCNQKDS-UHFFFAOYSA-N 0 0 176.171 2.412 10 0 AEAERN Cc1ccc([C@H](N)c2ccco2)o1 43606790 343256500 /nfs/dbraw/zinc/25/65/00/343256500.db2.gz JBGXRPVNBOTNAA-SNVBAGLBSA-N 0 0 177.203 2.229 10 0 AEAERN Cc1ccc([C@@H](N)c2ccoc2)o1 43609885 343256517 /nfs/dbraw/zinc/25/65/17/343256517.db2.gz ZXDRKIQXCDBRAX-JTQLQIEISA-N 0 0 177.203 2.229 10 0 AEAERN Cc1ccoc1C(=O)c1ccco1 43606696 343256533 /nfs/dbraw/zinc/25/65/33/343256533.db2.gz ODQJBMHDJIMFLV-UHFFFAOYSA-N 0 0 176.171 2.412 10 0 AEAERN Cc1cc(C(=O)[C@H]2CCOC2)c(C)o1 43609319 343256548 /nfs/dbraw/zinc/25/65/48/343256548.db2.gz JVUQVWTZWBFVJV-VIFPVBQESA-N 0 0 194.230 2.116 10 0 AEAERN Cc1ccc(C(=O)[C@@H]2C[C@H]2C)o1 43609099 343256563 /nfs/dbraw/zinc/25/65/63/343256563.db2.gz IBMIWGHWTILLQZ-HTRCEHHLSA-N 0 0 164.204 2.427 10 0 AEAERN Cc1ccc(C(=O)[C@@H]2C[C@@H]2C)o1 43609091 343256564 /nfs/dbraw/zinc/25/65/64/343256564.db2.gz IBMIWGHWTILLQZ-POYBYMJQSA-N 0 0 164.204 2.427 10 0 AEAERN Cc1cc(C(=O)[C@@H]2CCOC2)c(C)o1 43609316 343256617 /nfs/dbraw/zinc/25/66/17/343256617.db2.gz JVUQVWTZWBFVJV-SECBINFHSA-N 0 0 194.230 2.116 10 0 AEAERN Cc1ccc([C@H](N)c2ccoc2)o1 43609882 343256618 /nfs/dbraw/zinc/25/66/18/343256618.db2.gz ZXDRKIQXCDBRAX-SNVBAGLBSA-N 0 0 177.203 2.229 10 0 AEAERN Cc1ccoc1[C@H](N)c1ccco1 43606773 343256645 /nfs/dbraw/zinc/25/66/45/343256645.db2.gz HLDGOUKAJFXBRW-SECBINFHSA-N 0 0 177.203 2.229 10 0 AEAERN Cc1cc(C(=O)C2CC2)c(C)o1 43609388 343256659 /nfs/dbraw/zinc/25/66/59/343256659.db2.gz SPWBOPYGADYMCG-UHFFFAOYSA-N 0 0 164.204 2.489 10 0 AEAERN Cc1cccnc1-c1noc(Cl)n1 43616956 343256833 /nfs/dbraw/zinc/25/68/33/343256833.db2.gz NWJBKDOYUXNMAM-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN Cc1ccc2c(c1C)O[C@@H](C)C2=O 43633115 343257195 /nfs/dbraw/zinc/25/71/95/343257195.db2.gz NCBKNHHGCRGCEX-QMMMGPOBSA-N 0 0 176.215 2.267 10 0 AEAERN Cc1cc2c(cc1C)C(=O)[C@H](C)O2 43633102 343257272 /nfs/dbraw/zinc/25/72/72/343257272.db2.gz VDVWJDANBLMMOQ-QMMMGPOBSA-N 0 0 176.215 2.267 10 0 AEAERN CCc1cccc2c1O[C@@H](C)C2=O 43633247 343257458 /nfs/dbraw/zinc/25/74/58/343257458.db2.gz DYSBVTNKINPTNA-ZETCQYMHSA-N 0 0 176.215 2.213 10 0 AEAERN CCc1ccc(-c2n[nH]c(C)n2)s1 43640235 343257804 /nfs/dbraw/zinc/25/78/04/343257804.db2.gz CICUKEVZBSQKSK-UHFFFAOYSA-N 0 0 193.275 2.404 10 0 AEAERN C[C@H](O)CCc1ccc(F)cc1 43656752 343258421 /nfs/dbraw/zinc/25/84/21/343258421.db2.gz HBISZHZIVHQJGR-QMMMGPOBSA-N 0 0 168.211 2.139 10 0 AEAERN CC[C@@H](O)CCc1ccccc1OC 43657853 343258425 /nfs/dbraw/zinc/25/84/25/343258425.db2.gz UZSBWVROCSDNOU-LLVKDONJSA-N 0 0 194.274 2.399 10 0 AEAERN C[C@H](O)[C@H](C)Cc1cccc(F)c1 43658681 343258430 /nfs/dbraw/zinc/25/84/30/343258430.db2.gz TYOQGOBFIGHJBD-BDAKNGLRSA-N 0 0 182.238 2.385 10 0 AEAERN C[C@H](O)[C@H](C)Cc1ccsc1 43658696 343258436 /nfs/dbraw/zinc/25/84/36/343258436.db2.gz IMJHBSOVWUEJPY-SFYZADRCSA-N 0 0 170.277 2.308 10 0 AEAERN Cc1ccc(CC[C@@H](C)O)cc1 43656749 343258440 /nfs/dbraw/zinc/25/84/40/343258440.db2.gz NKPPLBLOQSQAKT-SNVBAGLBSA-N 0 0 164.248 2.308 10 0 AEAERN CC[C@@H]1CCC(=O)[C@H](C)C1 43653548 343258465 /nfs/dbraw/zinc/25/84/65/343258465.db2.gz MWSNIDPLIQQYPZ-HTQZYQBOSA-N 0 0 140.226 2.402 10 0 AEAERN CC[C@H]1CCC(=O)[C@H](C)C1 43653550 343258482 /nfs/dbraw/zinc/25/84/82/343258482.db2.gz MWSNIDPLIQQYPZ-SFYZADRCSA-N 0 0 140.226 2.402 10 0 AEAERN C[C@H](O)CCc1ccccc1F 43656687 343258486 /nfs/dbraw/zinc/25/84/86/343258486.db2.gz VPGHDOPHBJQZLN-QMMMGPOBSA-N 0 0 168.211 2.139 10 0 AEAERN CC[C@H](O)CCc1cccc(OC)c1 43657739 343258489 /nfs/dbraw/zinc/25/84/89/343258489.db2.gz USSKSFZFQPBAKA-NSHDSACASA-N 0 0 194.274 2.399 10 0 AEAERN C[C@H](O)[C@@H](C)Cc1ccsc1 43658695 343258494 /nfs/dbraw/zinc/25/84/94/343258494.db2.gz IMJHBSOVWUEJPY-YUMQZZPRSA-N 0 0 170.277 2.308 10 0 AEAERN C[C@H](O)[C@@H](C)Cc1cccc(F)c1 43658680 343258544 /nfs/dbraw/zinc/25/85/44/343258544.db2.gz TYOQGOBFIGHJBD-IUCAKERBSA-N 0 0 182.238 2.385 10 0 AEAERN C[C@H](O)CCc1cccc(F)c1F 43656779 343258589 /nfs/dbraw/zinc/25/85/89/343258589.db2.gz LGMHVBJIPCHKDJ-ZETCQYMHSA-N 0 0 186.201 2.278 10 0 AEAERN C[C@H](O)CCc1cc(F)ccc1F 43656807 343258601 /nfs/dbraw/zinc/25/86/01/343258601.db2.gz PQMLTSPUABENIN-ZETCQYMHSA-N 0 0 186.201 2.278 10 0 AEAERN CC[C@H]1CCC(=O)[C@@H](C)C1 43653554 343258604 /nfs/dbraw/zinc/25/86/04/343258604.db2.gz MWSNIDPLIQQYPZ-YUMQZZPRSA-N 0 0 140.226 2.402 10 0 AEAERN C[C@H](O)CCc1cccc(F)c1 43656745 343258615 /nfs/dbraw/zinc/25/86/15/343258615.db2.gz YNXPOGQFCJDCKU-QMMMGPOBSA-N 0 0 168.211 2.139 10 0 AEAERN CC[C@H](C)Cn1ncc(Cl)c1N 43665760 343258745 /nfs/dbraw/zinc/25/87/45/343258745.db2.gz XBSAXYFZRAHFGN-LURJTMIESA-N 0 0 187.674 2.165 10 0 AEAERN Cc1cc(N)n([C@H](C)CC(C)C)n1 43666861 343258778 /nfs/dbraw/zinc/25/87/78/343258778.db2.gz ITGYOQDJLTWUKW-SECBINFHSA-N 0 0 181.283 2.381 10 0 AEAERN Cc1nn([C@@H](C)C2CC2)c(N)c1Cl 43665098 343258787 /nfs/dbraw/zinc/25/87/87/343258787.db2.gz QEMJCSCPPKLSLY-LURJTMIESA-N 0 0 199.685 2.398 10 0 AEAERN Cc1cc(N)n([C@@H](C)CC(C)C)n1 43666860 343258896 /nfs/dbraw/zinc/25/88/96/343258896.db2.gz ITGYOQDJLTWUKW-VIFPVBQESA-N 0 0 181.283 2.381 10 0 AEAERN C[C@H](C1CC1)n1ncc(Cl)c1N 43665470 343258926 /nfs/dbraw/zinc/25/89/26/343258926.db2.gz STYUGFOGAKGBHV-RXMQYKEDSA-N 0 0 185.658 2.090 10 0 AEAERN CC[C@H](C)n1ncc(Cl)c1N 43665605 343258944 /nfs/dbraw/zinc/25/89/44/343258944.db2.gz GDFUJKIMVFMWMZ-YFKPBYRVSA-N 0 0 173.647 2.090 10 0 AEAERN Cc1nn([C@H](C)C2CC2)c(N)c1Cl 43665100 343258950 /nfs/dbraw/zinc/25/89/50/343258950.db2.gz QEMJCSCPPKLSLY-ZCFIWIBFSA-N 0 0 199.685 2.398 10 0 AEAERN CCC(CC)n1ncc(Cl)c1N 43665461 343258974 /nfs/dbraw/zinc/25/89/74/343258974.db2.gz YONBFSWVWIEFRJ-UHFFFAOYSA-N 0 0 187.674 2.480 10 0 AEAERN Cc1cccc(-c2ccc(=O)[nH]c2)c1 44062980 343259716 /nfs/dbraw/zinc/25/97/16/343259716.db2.gz SOHUKNULUPXAOJ-UHFFFAOYSA-N 0 0 185.226 2.350 10 0 AEAERN Cc1ccccc1-c1ccc(=O)[nH]c1 44062974 343259794 /nfs/dbraw/zinc/25/97/94/343259794.db2.gz RRDUYVILCXYEDE-UHFFFAOYSA-N 0 0 185.226 2.350 10 0 AEAERN Cc1cccc(-c2cccc(=O)[nH]2)c1 44062928 343259806 /nfs/dbraw/zinc/25/98/06/343259806.db2.gz KNLCZDDHYDPTCR-UHFFFAOYSA-N 0 0 185.226 2.350 10 0 AEAERN Cc1ccc(-c2cc(=O)cc[nH]2)cc1 44118356 343260361 /nfs/dbraw/zinc/26/03/61/343260361.db2.gz JJHFBXTVKILZHF-UHFFFAOYSA-N 0 0 185.226 2.350 10 0 AEAERN Cc1ccc(-c2cnc(N)cn2)cc1 44117380 343260549 /nfs/dbraw/zinc/26/05/49/343260549.db2.gz RZSGKUUISFOIBT-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1nc(-c2ccc(N)nc2)cs1 44121107 343260756 /nfs/dbraw/zinc/26/07/56/343260756.db2.gz SMFUDWBYZYSYHN-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1nc(-c2ccc(N)cn2)cs1 44121400 343260806 /nfs/dbraw/zinc/26/08/06/343260806.db2.gz HJWNKRIHVUZVIN-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1ccc(-c2cc[nH]c(=O)c2)cc1 44120385 343260843 /nfs/dbraw/zinc/26/08/43/343260843.db2.gz ZXYYXLALWFAAJG-UHFFFAOYSA-N 0 0 185.226 2.350 10 0 AEAERN CC(C)(C)Nc1nc(O)cs1 44176300 343261358 /nfs/dbraw/zinc/26/13/58/343261358.db2.gz QEZBJIGQOWZKCA-UHFFFAOYSA-N 0 0 172.253 2.059 10 0 AEAERN Cc1nccn1[C@H]1CCCCC[C@@H]1O 44181076 343261696 /nfs/dbraw/zinc/26/16/96/343261696.db2.gz JIZKDLIIPSLIMW-QWRGUYRKSA-N 0 0 194.278 2.058 10 0 AEAERN Cc1nccn1[C@@H]1CCCCC[C@@H]1O 44181074 343261704 /nfs/dbraw/zinc/26/17/04/343261704.db2.gz JIZKDLIIPSLIMW-MNOVXSKESA-N 0 0 194.278 2.058 10 0 AEAERN O[C@@H]1CCCCCC[C@H]1n1cccn1 44182993 343261785 /nfs/dbraw/zinc/26/17/85/343261785.db2.gz CYPMCQMWQYECEE-GHMZBOCLSA-N 0 0 194.278 2.139 10 0 AEAERN O[C@@H]1CCCCCC[C@@H]1n1cccn1 44182996 343261790 /nfs/dbraw/zinc/26/17/90/343261790.db2.gz CYPMCQMWQYECEE-WDEREUQCSA-N 0 0 194.278 2.139 10 0 AEAERN Cc1nccn1[C@H]1CCCCC[C@H]1O 44181080 343261800 /nfs/dbraw/zinc/26/18/00/343261800.db2.gz JIZKDLIIPSLIMW-WDEREUQCSA-N 0 0 194.278 2.058 10 0 AEAERN CO[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O 44192707 343261926 /nfs/dbraw/zinc/26/19/26/343261926.db2.gz GWRIRXQYKOSNPX-OPRDCNLKSA-N 0 0 186.295 2.209 10 0 AEAERN CC[C@@H](O)[C@@H](C)n1nc(C)c(C)c1C 44187127 343261967 /nfs/dbraw/zinc/26/19/67/343261967.db2.gz UJNGORFQZIILCI-GHMZBOCLSA-N 0 0 196.294 2.140 10 0 AEAERN CCc1c(C)nn([C@H](C)[C@@H](C)O)c1C 44188005 343261982 /nfs/dbraw/zinc/26/19/82/343261982.db2.gz QBBSJAMCFNMNER-PSASIEDQSA-N 0 0 196.294 2.004 10 0 AEAERN Cc1ccc(O[C@H](C)[C@@H](C)O)cc1C 44198226 343261985 /nfs/dbraw/zinc/26/19/85/343261985.db2.gz RYYRTBYUPPCKSL-GHMZBOCLSA-N 0 0 194.274 2.452 10 0 AEAERN CC[C@H](O)[C@@H](C)n1nc(C)c(C)c1C 44187125 343261991 /nfs/dbraw/zinc/26/19/91/343261991.db2.gz UJNGORFQZIILCI-MNOVXSKESA-N 0 0 196.294 2.140 10 0 AEAERN CCc1c(C)nn([C@@H](C)[C@@H](C)O)c1C 44188002 343262044 /nfs/dbraw/zinc/26/20/44/343262044.db2.gz QBBSJAMCFNMNER-WCBMZHEXSA-N 0 0 196.294 2.004 10 0 AEAERN Cc1ccc(C)c(O[C@H](C)[C@@H](C)O)c1 44197943 343262020 /nfs/dbraw/zinc/26/20/20/343262020.db2.gz LODIINFJISLMKI-GHMZBOCLSA-N 0 0 194.274 2.452 10 0 AEAERN Cc1ccc(C)c(O[C@@H](C)[C@@H](C)O)c1 44197941 343262034 /nfs/dbraw/zinc/26/20/34/343262034.db2.gz LODIINFJISLMKI-MNOVXSKESA-N 0 0 194.274 2.452 10 0 AEAERN COc1cc(OC)c2cc[nH]c2c1C 44185457 343262037 /nfs/dbraw/zinc/26/20/37/343262037.db2.gz PMCNSAGUTWHXPX-UHFFFAOYSA-N 0 0 191.230 2.494 10 0 in-vitro AEAERN Cc1ccc([C@H](C)CCO)o1 44198452 343262056 /nfs/dbraw/zinc/26/20/56/343262056.db2.gz LKKJHUMEPHPEBN-SSDOTTSWSA-N 0 0 154.209 2.074 10 0 AEAERN Cc1cnn([C@@H]2CCCCC[C@@H]2O)c1 44186666 343262090 /nfs/dbraw/zinc/26/20/90/343262090.db2.gz WBRAYMUCRSYVKO-MNOVXSKESA-N 0 0 194.278 2.058 10 0 AEAERN Cc1cc2cc[nH]c2cc1O 44185496 343262108 /nfs/dbraw/zinc/26/21/08/343262108.db2.gz FQFKFEHJKYITSU-UHFFFAOYSA-N 0 0 147.177 2.182 10 0 AEAERN CCc1c(C)nn([C@H](C)[C@H](C)O)c1C 44188011 343262130 /nfs/dbraw/zinc/26/21/30/343262130.db2.gz QBBSJAMCFNMNER-SCZZXKLOSA-N 0 0 196.294 2.004 10 0 AEAERN Cc1ccc([C@@H](C)CCO)o1 44198450 343262138 /nfs/dbraw/zinc/26/21/38/343262138.db2.gz LKKJHUMEPHPEBN-ZETCQYMHSA-N 0 0 154.209 2.074 10 0 AEAERN Cc1cnn([C@H]2CCCCC[C@H]2O)c1 44186672 343262157 /nfs/dbraw/zinc/26/21/57/343262157.db2.gz WBRAYMUCRSYVKO-WDEREUQCSA-N 0 0 194.278 2.058 10 0 AEAERN Cc1cnn([C@@H]2CCCCC[C@H]2O)c1 44186670 343262174 /nfs/dbraw/zinc/26/21/74/343262174.db2.gz WBRAYMUCRSYVKO-GHMZBOCLSA-N 0 0 194.278 2.058 10 0 AEAERN CO[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1O 44192710 343262213 /nfs/dbraw/zinc/26/22/13/343262213.db2.gz GWRIRXQYKOSNPX-IVZWLZJFSA-N 0 0 186.295 2.209 10 0 AEAERN Cc1ccc(O[C@@H](C)[C@@H](C)O)cc1C 44198223 343262228 /nfs/dbraw/zinc/26/22/28/343262228.db2.gz RYYRTBYUPPCKSL-MNOVXSKESA-N 0 0 194.274 2.452 10 0 AEAERN CC(C)CO[C@@H]1C[C@@H](C)CC[C@H]1O 44219942 343262278 /nfs/dbraw/zinc/26/22/78/343262278.db2.gz QLXPZTLQZDTTRR-HBNTYKKESA-N 0 0 186.295 2.209 10 0 AEAERN Cc1cc(C)cc(O[C@@H](C)[C@@H](C)O)c1 44211295 343262296 /nfs/dbraw/zinc/26/22/96/343262296.db2.gz JPWOWZUFDHBVNW-MNOVXSKESA-N 0 0 194.274 2.452 10 0 AEAERN Cc1cccc(O[C@@H](C)[C@H](C)O)c1 44211610 343262307 /nfs/dbraw/zinc/26/23/07/343262307.db2.gz HDPZASNYAJKEGR-UWVGGRQHSA-N 0 0 180.247 2.143 10 0 AEAERN CC(C)(C)O[C@H]1CCCCC[C@H]1O 44227024 343262322 /nfs/dbraw/zinc/26/23/22/343262322.db2.gz OGVISBNCLUHBQN-ZJUUUORDSA-N 0 0 186.295 2.495 10 0 AEAERN CCCC/C=C/C1OCCO1 44227727 343262385 /nfs/dbraw/zinc/26/23/85/343262385.db2.gz QHZSAMUNTCMCCD-AATRIKPKSA-N 0 0 156.225 2.106 10 0 AEAERN Cc1cccc(O[C@H](C)[C@H](C)O)c1 44211613 343262412 /nfs/dbraw/zinc/26/24/12/343262412.db2.gz HDPZASNYAJKEGR-VHSXEESVSA-N 0 0 180.247 2.143 10 0 AEAERN CC(C)(C)O[C@@H]1CCCCC[C@H]1O 44227019 343262451 /nfs/dbraw/zinc/26/24/51/343262451.db2.gz OGVISBNCLUHBQN-NXEZZACHSA-N 0 0 186.295 2.495 10 0 AEAERN Cc1cccc(O[C@@H](C)[C@@H](C)O)c1 44211604 343262468 /nfs/dbraw/zinc/26/24/68/343262468.db2.gz HDPZASNYAJKEGR-ZJUUUORDSA-N 0 0 180.247 2.143 10 0 AEAERN CC(C)(C)O[C@H]1CCCCC[C@@H]1O 44227015 343262549 /nfs/dbraw/zinc/26/25/49/343262549.db2.gz OGVISBNCLUHBQN-UWVGGRQHSA-N 0 0 186.295 2.495 10 0 AEAERN CC(C)CO[C@@H]1C[C@H](C)CC[C@H]1O 44219938 343262559 /nfs/dbraw/zinc/26/25/59/343262559.db2.gz QLXPZTLQZDTTRR-GMTAPVOTSA-N 0 0 186.295 2.209 10 0 AEAERN CC(C)(C)O[C@@H]1CCCCC[C@@H]1O 44227010 343262566 /nfs/dbraw/zinc/26/25/66/343262566.db2.gz OGVISBNCLUHBQN-VHSXEESVSA-N 0 0 186.295 2.495 10 0 AEAERN Cc1cc(C)c(/C=C/C(N)=O)c(C)c1 44258428 343263082 /nfs/dbraw/zinc/26/30/82/343263082.db2.gz VWMHNDCEVZEIFW-SNAWJCMRSA-N 0 0 189.258 2.110 10 0 AEAERN CCc1nc(N)cc(CC(C)(C)C)n1 44262642 343263104 /nfs/dbraw/zinc/26/31/04/343263104.db2.gz NDJWZYGVIKLCJU-UHFFFAOYSA-N 0 0 193.294 2.210 10 0 AEAERN [NH3+][C@@H](CC1CCCCCCC1)C(=O)[O-] 44283551 343263108 /nfs/dbraw/zinc/26/31/08/343263108.db2.gz PSYRORCNCYQOIA-JTQLQIEISA-N 0 0 199.294 2.149 10 0 AEAERN CC(C)c1cc(N)nc(C(C)C)n1 44262775 343263161 /nfs/dbraw/zinc/26/31/61/343263161.db2.gz UFNUNJDUGGYIFN-UHFFFAOYSA-N 0 0 179.267 2.306 10 0 AEAERN Cc1ccc(/C=C\C(N)=O)cc1Cl 44262488 343263254 /nfs/dbraw/zinc/26/32/54/343263254.db2.gz OWZWJBVJTKVJMB-PLNGDYQASA-N 0 0 195.649 2.147 10 0 AEAERN Cc1ccc(NN)cc1C(F)(F)F 44270013 343263263 /nfs/dbraw/zinc/26/32/63/343263263.db2.gz GFRQTZYLJCGNJB-UHFFFAOYSA-N 0 0 190.168 2.299 10 0 AEAERN CC(C)c1nc(N)cc(C(C)(C)C)n1 44262815 343263275 /nfs/dbraw/zinc/26/32/75/343263275.db2.gz JDJCNQJPXZPQMU-UHFFFAOYSA-N 0 0 193.294 2.480 10 0 AEAERN Cc1cccc(CC[C@H](C)O)c1 44363903 343263914 /nfs/dbraw/zinc/26/39/14/343263914.db2.gz CSPHVLFORWOQIS-JTQLQIEISA-N 0 0 164.248 2.308 10 0 AEAERN CC1(C)C[C@H]1Nc1nccs1 44368177 343263970 /nfs/dbraw/zinc/26/39/70/343263970.db2.gz CZKFJYSPSNOCCZ-ZCFIWIBFSA-N 0 0 168.265 2.354 10 0 AEAERN Cc1cc(F)ccc1CCCO 44382772 343264503 /nfs/dbraw/zinc/26/45/03/343264503.db2.gz RDOCANSAKGJULJ-UHFFFAOYSA-N 0 0 168.211 2.059 10 0 AEAERN Cc1cc(F)cc(CCCO)c1 44396043 343264507 /nfs/dbraw/zinc/26/45/07/343264507.db2.gz SZBQWUOKXZDTAQ-UHFFFAOYSA-N 0 0 168.211 2.059 10 0 AEAERN Cc1ccc(CCCO)c(F)c1F 44396212 343264613 /nfs/dbraw/zinc/26/46/13/343264613.db2.gz RORZMCMWOKWVNH-UHFFFAOYSA-N 0 0 186.201 2.198 10 0 AEAERN CC(C)c1nc([C@H](N)C(C)(C)C)no1 44376436 343264653 /nfs/dbraw/zinc/26/46/53/343264653.db2.gz PQELZDILOQODPI-ZETCQYMHSA-N 0 0 197.282 2.239 10 0 AEAERN CC1(C)C[C@H]1Nc1cncc(Cl)n1 44377390 343264709 /nfs/dbraw/zinc/26/47/09/343264709.db2.gz ARKHMURAUUFHDF-ZCFIWIBFSA-N 0 0 197.669 2.340 10 0 AEAERN CC(C)c1nc([C@@H](N)C(C)(C)C)no1 44376441 343264719 /nfs/dbraw/zinc/26/47/19/343264719.db2.gz PQELZDILOQODPI-SSDOTTSWSA-N 0 0 197.282 2.239 10 0 AEAERN CCc1ccccc1CCCO 44383201 343264760 /nfs/dbraw/zinc/26/47/60/343264760.db2.gz HJTRWHIFTUYNML-UHFFFAOYSA-N 0 0 164.248 2.174 10 0 AEAERN CN(C)c1ccc(NC2CCC2)cn1 44481063 343266627 /nfs/dbraw/zinc/26/66/27/343266627.db2.gz LFUZQNWEFIAQGD-UHFFFAOYSA-N 0 0 191.278 2.112 10 0 AEAERN CCOc1ncccc1NC1CCC1 44481186 343266715 /nfs/dbraw/zinc/26/67/15/343266715.db2.gz WBYOYOJIVAQVHL-UHFFFAOYSA-N 0 0 192.262 2.445 10 0 AEAERN Cc1nn(C)c(C)c1NC1CCC1 44480351 343266780 /nfs/dbraw/zinc/26/67/80/343266780.db2.gz UPVMGQVOUPHSGB-UHFFFAOYSA-N 0 0 179.267 2.001 10 0 AEAERN CN(C)c1ncccc1NC1CCC1 44481192 343266782 /nfs/dbraw/zinc/26/67/82/343266782.db2.gz JOJUUGPSOKDQKJ-UHFFFAOYSA-N 0 0 191.278 2.112 10 0 AEAERN CCc1c(C)cccc1N(C#N)C#N 44563923 343267514 /nfs/dbraw/zinc/26/75/14/343267514.db2.gz NRFGJPHXGRZZMA-UHFFFAOYSA-N 0 0 185.230 2.326 10 0 AEAERN Cc1c(O)cnc2[nH]cc(Cl)c12 44712632 343267962 /nfs/dbraw/zinc/26/79/62/343267962.db2.gz LNIHHBMYONXQJW-UHFFFAOYSA-N 0 0 182.610 2.230 10 0 AEAERN Cc1ccc(C(=O)C(C)(C)O)cc1C 44710307 343267993 /nfs/dbraw/zinc/26/79/93/343267993.db2.gz CWMPTHCXPDLJNJ-UHFFFAOYSA-N 0 0 192.258 2.257 10 0 AEAERN COc1ccc2[nH]cc(Cl)c2n1 44712858 343268337 /nfs/dbraw/zinc/26/83/37/343268337.db2.gz JCYXQTUQIOBVRW-UHFFFAOYSA-N 0 0 182.610 2.225 10 0 AEAERN O=Cc1c[nH]c2c(Cl)ccnc12 44712990 343268400 /nfs/dbraw/zinc/26/84/00/343268400.db2.gz YVUYWBGQTAGLEP-UHFFFAOYSA-N 0 0 180.594 2.029 10 0 AEAERN Nc1cc(F)cc2scnc12 44713335 343268584 /nfs/dbraw/zinc/26/85/84/343268584.db2.gz PIAFPNZCAIOJAY-UHFFFAOYSA-N 0 0 168.196 2.018 10 0 AEAERN COc1nc(C)cc2[nH]c(C)cc12 44713289 343268624 /nfs/dbraw/zinc/26/86/24/343268624.db2.gz CRRXKFPBLJZKBS-UHFFFAOYSA-N 0 0 176.219 2.188 10 0 AEAERN COc1cc2[nH]cc(Cl)c2cn1 44713128 343268662 /nfs/dbraw/zinc/26/86/62/343268662.db2.gz NHDZTXRCSDXJDV-UHFFFAOYSA-N 0 0 182.610 2.225 10 0 AEAERN Cc1cc2cnc(F)cc2[nH]1 44713117 343268665 /nfs/dbraw/zinc/26/86/65/343268665.db2.gz BKFSRRZOQNUXLY-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN Fc1cncc2[nH]cc(Cl)c12 44713276 343268698 /nfs/dbraw/zinc/26/86/98/343268698.db2.gz MVKVOKVIGCGKMW-UHFFFAOYSA-N 0 0 170.574 2.355 10 0 AEAERN Cc1c(F)cnc2cc[nH]c12 44713274 343268723 /nfs/dbraw/zinc/26/87/23/343268723.db2.gz UIJNBHLGQOYUMY-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN COc1nccc2c(Cl)c[nH]c12 44713164 343268738 /nfs/dbraw/zinc/26/87/38/343268738.db2.gz XBTDAPOGPNACHX-UHFFFAOYSA-N 0 0 182.610 2.225 10 0 AEAERN Fc1nccc2c(Cl)c[nH]c12 44713213 343268739 /nfs/dbraw/zinc/26/87/39/343268739.db2.gz NVPUMGQHGOFESN-UHFFFAOYSA-N 0 0 170.574 2.355 10 0 AEAERN COc1nccc2[nH]cc(Cl)c12 44713398 343268860 /nfs/dbraw/zinc/26/88/60/343268860.db2.gz XNAMWXMQRCWVPG-UHFFFAOYSA-N 0 0 182.610 2.225 10 0 AEAERN Cc1cc2scnc2cc1N 45236355 343271516 /nfs/dbraw/zinc/27/15/16/343271516.db2.gz MVZORJHYNVELQB-UHFFFAOYSA-N 0 0 164.233 2.187 10 0 AEAERN CCc1cc(N)cc2ncsc12 45236441 343271540 /nfs/dbraw/zinc/27/15/40/343271540.db2.gz GRPLRZCUWJRQOR-UHFFFAOYSA-N 0 0 178.260 2.441 10 0 AEAERN C[C@H](O)c1cccc2scnc12 45236572 343271544 /nfs/dbraw/zinc/27/15/44/343271544.db2.gz RGKLQOBIATYNJB-LURJTMIESA-N 0 0 179.244 2.350 10 0 AEAERN Cc1ccc2ncsc2c1N 45236239 343271574 /nfs/dbraw/zinc/27/15/74/343271574.db2.gz QUVVBNMVXIMBBI-UHFFFAOYSA-N 0 0 164.233 2.187 10 0 AEAERN Cc1c(N)ccc2ncsc12 45236456 343271605 /nfs/dbraw/zinc/27/16/05/343271605.db2.gz MWFHUUYNKQVJDU-UHFFFAOYSA-N 0 0 164.233 2.187 10 0 AEAERN Cc1nc2ccc(O)c(C=O)c2s1 45236491 343271648 /nfs/dbraw/zinc/27/16/48/343271648.db2.gz XVKDPBIMGQTQGU-UHFFFAOYSA-N 0 0 193.227 2.123 10 0 AEAERN Cc1cc2nc(N)sc2c(O)c1C 45236010 343271720 /nfs/dbraw/zinc/27/17/20/343271720.db2.gz VNLUEXDUCQGTBM-UHFFFAOYSA-N 0 0 194.259 2.201 10 0 AEAERN C[C@H](O)c1cccc2ncsc12 45236564 343271722 /nfs/dbraw/zinc/27/17/22/343271722.db2.gz BDTPXCHYCQRKOH-LURJTMIESA-N 0 0 179.244 2.350 10 0 AEAERN Cc1cc2nc(N)sc2c(C)c1O 45235933 343271751 /nfs/dbraw/zinc/27/17/51/343271751.db2.gz OEKQSYUWFVLTQV-UHFFFAOYSA-N 0 0 194.259 2.201 10 0 AEAERN CCCCCCn1ccnc1C=O 45205645 343271769 /nfs/dbraw/zinc/27/17/69/343271769.db2.gz XSVOJWAQCTWEDJ-UHFFFAOYSA-N 0 0 180.251 2.276 10 0 AEAERN Cc1cc(N)cc2ncsc12 45236446 343271773 /nfs/dbraw/zinc/27/17/73/343271773.db2.gz SMGDKTMWJAQMJL-UHFFFAOYSA-N 0 0 164.233 2.187 10 0 AEAERN Cc1ccc(O)c2ncsc12 45237158 343271779 /nfs/dbraw/zinc/27/17/79/343271779.db2.gz BPZIFPXVRBNEPI-UHFFFAOYSA-N 0 0 165.217 2.310 10 0 AEAERN Cc1c(O)cc2sc(N)nc2c1C 45237895 343271953 /nfs/dbraw/zinc/27/19/53/343271953.db2.gz VHUJTRGVEBXBSH-UHFFFAOYSA-N 0 0 194.259 2.201 10 0 AEAERN CC1(c2ccc(O)cc2)CC1 45793144 343271989 /nfs/dbraw/zinc/27/19/89/343271989.db2.gz URBFAECGYIAXDC-UHFFFAOYSA-N 0 0 148.205 2.444 10 0 AEAERN Cc1cc2nc3ccccc3n2nc1C 45238663 343271992 /nfs/dbraw/zinc/27/19/92/343271992.db2.gz OAVJARFYMQKFLU-UHFFFAOYSA-N 0 0 197.241 2.499 10 0 AEAERN Cc1nc2ccc3n[nH]cc3c2s1 45237999 343272101 /nfs/dbraw/zinc/27/21/01/343272101.db2.gz WGNIRABYAIYJIK-UHFFFAOYSA-N 0 0 189.243 2.481 10 0 AEAERN Cc1cc2c(c(=O)[nH]1)[C@@H](C(C)C)CC2 45813735 343272315 /nfs/dbraw/zinc/27/23/15/343272315.db2.gz GHIVQBMJEQZKAH-SNVBAGLBSA-N 0 0 191.274 2.369 10 0 AEAERN CCc1c[nH]c2cc(N)ccc12 45817269 343272349 /nfs/dbraw/zinc/27/23/49/343272349.db2.gz BZGDUQHUMYDJMN-UHFFFAOYSA-N 0 0 160.220 2.313 10 0 AEAERN CN(C)c1cccc2ncccc12 45817297 343272364 /nfs/dbraw/zinc/27/23/64/343272364.db2.gz LBMIFBXGOXTZNX-UHFFFAOYSA-N 0 0 172.231 2.301 10 0 AEAERN Cc1cc2[nH]cnc2c(C)c1C 45820750 343272365 /nfs/dbraw/zinc/27/23/65/343272365.db2.gz BWOKKWAZJDCAGY-UHFFFAOYSA-N 0 0 160.220 2.488 10 0 AEAERN Cc1cnc(C)c(-c2cc[nH]c2)n1 45814324 343272424 /nfs/dbraw/zinc/27/24/24/343272424.db2.gz QWSLFUPDZINNFR-UHFFFAOYSA-N 0 0 173.219 2.089 10 0 AEAERN CCc1nc2c(N)cc(C)cc2o1 45809513 343272435 /nfs/dbraw/zinc/27/24/35/343272435.db2.gz NLHYUUOYJOCKAN-UHFFFAOYSA-N 0 0 176.219 2.281 10 0 AEAERN CCCC1=NCCn2c(C)ccc21 45814386 343272537 /nfs/dbraw/zinc/27/25/37/343272537.db2.gz FKCPJTYQTBMDOM-UHFFFAOYSA-N 0 0 176.263 2.399 10 0 AEAERN Cc1c[nH]c(=S)c(=S)[nH]1 45814276 343272551 /nfs/dbraw/zinc/27/25/51/343272551.db2.gz RHKIIBWXBRKZSF-UHFFFAOYSA-N 0 0 158.251 2.110 10 0 AEAERN Cc1ccnc2[nH]c(C(C)C)nc12 45808876 343272557 /nfs/dbraw/zinc/27/25/57/343272557.db2.gz MLLDVLRIVIJLDO-UHFFFAOYSA-N 0 0 175.235 2.390 10 0 AEAERN Cc1ccnn1Cc1ccccc1 48218358 343273612 /nfs/dbraw/zinc/27/36/12/343273612.db2.gz AGNNZTHBTNAGLB-UHFFFAOYSA-N 0 0 172.231 2.240 10 0 AEAERN CC[C@H](O)CN(CC)c1ccccc1 48235494 343274222 /nfs/dbraw/zinc/27/42/22/343274222.db2.gz PCZONSIXWWVNRR-LBPRGKRZSA-N 0 0 193.290 2.284 10 0 AEAERN C1=NN[C@@H]2c3ccccc3SC[C@H]12 48523753 343274490 /nfs/dbraw/zinc/27/44/90/343274490.db2.gz WPBZNYVMFMHOJK-XVKPBYJWSA-N 0 0 190.271 2.039 10 0 AEAERN Cc1[nH]nc2nc3ccccc3c(N)c12 48523390 343274547 /nfs/dbraw/zinc/27/45/47/343274547.db2.gz NTWXGOKXCOJGSV-UHFFFAOYSA-N 0 0 198.229 2.002 10 0 AEAERN C1=NN[C@@H]2c3ccccc3SC[C@@H]12 48523750 343274549 /nfs/dbraw/zinc/27/45/49/343274549.db2.gz WPBZNYVMFMHOJK-XCBNKYQSSA-N 0 0 190.271 2.039 10 0 AEAERN Cc1ccccc1[C@@H](C(N)=O)C(C)C 48546166 343274632 /nfs/dbraw/zinc/27/46/32/343274632.db2.gz LWHHQACFSQBLFD-NSHDSACASA-N 0 0 191.274 2.220 10 0 AEAERN CCc1nc2c(C)cccc2[nH]1 48524258 343274668 /nfs/dbraw/zinc/27/46/68/343274668.db2.gz CXBRZLNSRRMWJP-UHFFFAOYSA-N 0 0 160.220 2.434 10 0 AEAERN Cc1ccc2c(c1)[C@H](C)CC(=O)N2 48512627 343274685 /nfs/dbraw/zinc/27/46/85/343274685.db2.gz NGYHLNDDRIMSBP-MRVPVSSYSA-N 0 0 175.231 2.441 10 0 AEAERN Cc1ccccc1[C@H](C(N)=O)C(C)C 48546163 343274720 /nfs/dbraw/zinc/27/47/20/343274720.db2.gz LWHHQACFSQBLFD-LLVKDONJSA-N 0 0 191.274 2.220 10 0 AEAERN Fc1ccccc1-c1ccncn1 48523463 343274724 /nfs/dbraw/zinc/27/47/24/343274724.db2.gz PMTPWTRWQUAJCP-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN C1=NN[C@H]2c3ccccc3SC[C@@H]12 48523752 343274731 /nfs/dbraw/zinc/27/47/31/343274731.db2.gz WPBZNYVMFMHOJK-GMSGAONNSA-N 0 0 190.271 2.039 10 0 AEAERN Cc1ccc2c(c1)[C@@H](C)CC(=O)N2 48512630 343274733 /nfs/dbraw/zinc/27/47/33/343274733.db2.gz NGYHLNDDRIMSBP-QMMMGPOBSA-N 0 0 175.231 2.441 10 0 AEAERN COc1cccc(-c2ccncn2)c1 48523465 343274739 /nfs/dbraw/zinc/27/47/39/343274739.db2.gz DLGFHCFDHFXPTP-UHFFFAOYSA-N 0 0 186.214 2.152 10 0 AEAERN C1=NN[C@H]2c3ccccc3SC[C@H]12 48523755 343274751 /nfs/dbraw/zinc/27/47/51/343274751.db2.gz WPBZNYVMFMHOJK-OIBJUYFYSA-N 0 0 190.271 2.039 10 0 AEAERN CC1(C)[C@@H]2CC[C@@]1(C)c1[nH][nH]c(=O)c12 49474063 343275610 /nfs/dbraw/zinc/27/56/10/343275610.db2.gz KOVDNLIBNIMCTE-KBUNVGBDSA-N 0 0 192.262 2.290 10 0 AEAERN C=CC(=O)N(C)c1ccccc1C 49986881 343277726 /nfs/dbraw/zinc/27/77/26/343277726.db2.gz BOKYKDXORPHRHF-UHFFFAOYSA-N 0 0 175.231 2.144 10 0 AEAERN CC(C)c1ncc2c(n1)CCCC2=O 50093792 343277776 /nfs/dbraw/zinc/27/77/76/343277776.db2.gz ZNMCMHOLJCSGBU-UHFFFAOYSA-N 0 0 190.246 2.119 10 0 AEAERN CCC(=O)CN1CCc2ccccc21 50179638 343279121 /nfs/dbraw/zinc/27/91/21/343279121.db2.gz AKDSVRGVASPKDX-UHFFFAOYSA-N 0 0 189.258 2.028 10 0 AEAERN CCC(=O)COc1cccc(OC)c1 50181260 343279177 /nfs/dbraw/zinc/27/91/77/343279177.db2.gz MYULVSDOEKPEBR-UHFFFAOYSA-N 0 0 194.230 2.053 10 0 AEAERN CCC(=O)CN(C)c1ccccc1 50179676 343279191 /nfs/dbraw/zinc/27/91/91/343279191.db2.gz CVHFNKVEIQXMMH-UHFFFAOYSA-N 0 0 177.247 2.102 10 0 AEAERN CCC(=O)COc1ccccc1OC 50181325 343279332 /nfs/dbraw/zinc/27/93/32/343279332.db2.gz BVRCQLZRJMDVFF-UHFFFAOYSA-N 0 0 194.230 2.053 10 0 AEAERN CCC(=O)COc1ccc(OC)cc1 50181343 343279382 /nfs/dbraw/zinc/27/93/82/343279382.db2.gz JOQIUOCYXUGBIG-UHFFFAOYSA-N 0 0 194.230 2.053 10 0 AEAERN CCC(=O)COc1cccc(C)c1 50181310 343279397 /nfs/dbraw/zinc/27/93/97/343279397.db2.gz TZSGGGSSHHXWNL-UHFFFAOYSA-N 0 0 178.231 2.353 10 0 AEAERN CCCC(=O)CSCC 50185948 343279684 /nfs/dbraw/zinc/27/96/84/343279684.db2.gz GUEGPFCNTXZCPK-UHFFFAOYSA-N 0 0 146.255 2.109 10 0 AEAERN CCCC(=O)COc1ccccc1 50185300 343279702 /nfs/dbraw/zinc/27/97/02/343279702.db2.gz PDBXPPJYGDLGOP-UHFFFAOYSA-N 0 0 178.231 2.435 10 0 AEAERN Cc1ccc(-c2coc(N)n2)cc1 50266336 343280400 /nfs/dbraw/zinc/28/04/00/343280400.db2.gz SWGQPQRPYROHJG-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1ccccc1-c1coc(N)n1 50266252 343280426 /nfs/dbraw/zinc/28/04/26/343280426.db2.gz RPRJFJFCGPLJPX-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1cccc(-c2coc(N)n2)c1 50266330 343280571 /nfs/dbraw/zinc/28/05/71/343280571.db2.gz MOOCYQXJIYKDBJ-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN CCCCc1nc(C)sc1N 50308151 343280986 /nfs/dbraw/zinc/28/09/86/343280986.db2.gz BWMSRDNOHJNKCX-UHFFFAOYSA-N 0 0 170.281 2.376 10 0 AEAERN CC[C@H](C)c1ncsc1N 50308047 343281093 /nfs/dbraw/zinc/28/10/93/343281093.db2.gz HZPCNJQBXHQUIS-YFKPBYRVSA-N 0 0 156.254 2.239 10 0 AEAERN Cc1nc(C(C)(C)C)sc1N 50309313 343281343 /nfs/dbraw/zinc/28/13/43/343281343.db2.gz RUPFWYIZTLZPIY-UHFFFAOYSA-N 0 0 170.281 2.331 10 0 AEAERN N[C@H](C1=CCCCC1)C(F)(F)F 50325740 343281480 /nfs/dbraw/zinc/28/14/80/343281480.db2.gz ZHRVTRBNZYNUNW-SSDOTTSWSA-N 0 0 179.185 2.376 10 0 AEAERN CCc1nc(C2CC2)sc1N 50309158 343281516 /nfs/dbraw/zinc/28/15/16/343281516.db2.gz LYTHCFXTLYTMHY-UHFFFAOYSA-N 0 0 168.265 2.165 10 0 AEAERN N[C@@H](C1=CCCCC1)C(F)(F)F 50325738 343281540 /nfs/dbraw/zinc/28/15/40/343281540.db2.gz ZHRVTRBNZYNUNW-ZETCQYMHSA-N 0 0 179.185 2.376 10 0 AEAERN CC1(C)CC(=O)c2scnc2C1 50331008 343281774 /nfs/dbraw/zinc/28/17/74/343281774.db2.gz CBRRDXSSIRIHTN-UHFFFAOYSA-N 0 0 181.260 2.298 10 0 AEAERN CC(C)[C@H](O)C1=CCCC1 50329033 343281785 /nfs/dbraw/zinc/28/17/85/343281785.db2.gz XICRPIPRKADENC-VIFPVBQESA-N 0 0 140.226 2.114 10 0 AEAERN CCC(=O)Nc1c(N)cccc1Cl 50352344 343282078 /nfs/dbraw/zinc/28/20/78/343282078.db2.gz PCPBSDWFJCGKQP-UHFFFAOYSA-N 0 0 198.653 2.271 10 0 AEAERN Cc1ccccc1-c1cc(C=O)n[nH]1 50478840 343283033 /nfs/dbraw/zinc/28/30/33/343283033.db2.gz NSTYPXXNPBXBSJ-UHFFFAOYSA-N 0 0 186.214 2.198 10 0 AEAERN CC[C@H](C)Oc1ccc(C)nc1N 50440946 343283164 /nfs/dbraw/zinc/28/31/64/343283164.db2.gz UDGSQTXMQTWEQC-QMMMGPOBSA-N 0 0 180.251 2.150 10 0 AEAERN Cc1cccc(-c2cc(C=O)n[nH]2)c1 50478863 343283233 /nfs/dbraw/zinc/28/32/33/343283233.db2.gz BLOVDWBHPDJPFI-UHFFFAOYSA-N 0 0 186.214 2.198 10 0 AEAERN O[C@@H]1CCCCC[C@H]1OC1CCC1 50521288 343283365 /nfs/dbraw/zinc/28/33/65/343283365.db2.gz SLFJBROPTOEGSB-GHMZBOCLSA-N 0 0 184.279 2.249 10 0 AEAERN Clc1nsnc1OC1CCC1 50520417 343283435 /nfs/dbraw/zinc/28/34/35/343283435.db2.gz KXPGMGJKMWKLSZ-UHFFFAOYSA-N 0 0 190.655 2.123 10 0 AEAERN Clc1ccc(OC2CCC2)nn1 50520415 343283530 /nfs/dbraw/zinc/28/35/30/343283530.db2.gz JMAAJKSLXYWYTO-UHFFFAOYSA-N 0 0 184.626 2.061 10 0 AEAERN Fc1cccc(OC2CCC2)n1 50520420 343283553 /nfs/dbraw/zinc/28/35/53/343283553.db2.gz KWDBCOGKXQCNMO-UHFFFAOYSA-N 0 0 167.183 2.152 10 0 AEAERN O[C@H]1CCCCC[C@H]1OC1CCC1 50521287 343283593 /nfs/dbraw/zinc/28/35/93/343283593.db2.gz SLFJBROPTOEGSB-WDEREUQCSA-N 0 0 184.279 2.249 10 0 AEAERN CCC(=O)Cn1ncc2ccccc21 50526604 343284090 /nfs/dbraw/zinc/28/40/90/343284090.db2.gz ZSYWJCZZVDNZLM-UHFFFAOYSA-N 0 0 188.230 2.015 10 0 AEAERN Cc1cc(CO)ccc1N(C)C(C)C 50560620 343284185 /nfs/dbraw/zinc/28/41/85/343284185.db2.gz XEQGNWDJJHKAKY-UHFFFAOYSA-N 0 0 193.290 2.332 10 0 AEAERN CCN(C)c1ccc(C=O)cc1C 50544803 343284410 /nfs/dbraw/zinc/28/44/10/343284410.db2.gz SKCHACVUIPNDMM-UHFFFAOYSA-N 0 0 177.247 2.264 10 0 AEAERN Cc1cc(/C=C/[N+](=O)[O-])ccc1F 50544485 343284438 /nfs/dbraw/zinc/28/44/38/343284438.db2.gz DVENHKRMEQDXFF-SNAWJCMRSA-N 0 0 181.166 2.382 10 0 AEAERN Cc1cc(CO)ccc1N(C)C1CC1 50560729 343284441 /nfs/dbraw/zinc/28/44/41/343284441.db2.gz KANJNVSMBCMWCE-UHFFFAOYSA-N 0 0 191.274 2.086 10 0 AEAERN Cc1cc(F)cc2c1CC[C@@H]2O 50568887 343284703 /nfs/dbraw/zinc/28/47/03/343284703.db2.gz XJWJGBBONNDQCY-JTQLQIEISA-N 0 0 166.195 2.114 10 0 AEAERN Cc1cc(N(C)C2CC2)ccc1CO 50582681 343284764 /nfs/dbraw/zinc/28/47/64/343284764.db2.gz MGOSMKCPTSONDW-UHFFFAOYSA-N 0 0 191.274 2.086 10 0 AEAERN Cc1cc(F)ccc1/C=C/[N+](=O)[O-] 50568893 343284843 /nfs/dbraw/zinc/28/48/43/343284843.db2.gz TXKKVEBQPBEMBD-SNAWJCMRSA-N 0 0 181.166 2.382 10 0 AEAERN Cc1cc(N(C)C(C)C)ccc1CO 50582524 343284883 /nfs/dbraw/zinc/28/48/83/343284883.db2.gz XATMADKAYAHBEM-UHFFFAOYSA-N 0 0 193.290 2.332 10 0 AEAERN Cc1cc(N(C)C2CC2)ccc1C=O 50569424 343284928 /nfs/dbraw/zinc/28/49/28/343284928.db2.gz JRYVCGARFRUFMR-UHFFFAOYSA-N 0 0 189.258 2.406 10 0 AEAERN Nc1nc(C(F)F)nc2ccccc12 50786064 343285769 /nfs/dbraw/zinc/28/57/69/343285769.db2.gz UNLOXWBXIVQGIX-UHFFFAOYSA-N 0 0 195.172 2.150 10 0 AEAERN COc1ccc(C)cc1CC(C)=O 50706219 343285916 /nfs/dbraw/zinc/28/59/16/343285916.db2.gz NDFZYLDPXNNIRV-UHFFFAOYSA-N 0 0 178.231 2.135 10 0 AEAERN CNc1ccc(COC(C)(C)C)cn1 50832281 343286153 /nfs/dbraw/zinc/28/61/53/343286153.db2.gz SQSCDGCONRUTBM-UHFFFAOYSA-N 0 0 194.278 2.438 10 0 AEAERN CCc1nc(NC)cc(C(C)(C)C)n1 50850389 343286181 /nfs/dbraw/zinc/28/61/81/343286181.db2.gz VQAWMZIAWKGMND-UHFFFAOYSA-N 0 0 193.294 2.378 10 0 AEAERN CNc1ccc(COC2CCC2)cn1 50833306 343286192 /nfs/dbraw/zinc/28/61/92/343286192.db2.gz XFLYJGHJNPCKTF-UHFFFAOYSA-N 0 0 192.262 2.192 10 0 AEAERN C[C@H]1CCC[C@H](c2nccc(N)n2)C1 50847136 343286214 /nfs/dbraw/zinc/28/62/14/343286214.db2.gz BSPZNIVSQSMERY-IUCAKERBSA-N 0 0 191.278 2.353 10 0 AEAERN CCc1c(C)nc(C2CC2)nc1NC 50849283 343286241 /nfs/dbraw/zinc/28/62/41/343286241.db2.gz BRYCNTBXNFVRGH-UHFFFAOYSA-N 0 0 191.278 2.267 10 0 AEAERN CCc1cc(NC)nc(C(C)C)n1 50850876 343286364 /nfs/dbraw/zinc/28/63/64/343286364.db2.gz CDGNPXAECZFKRI-UHFFFAOYSA-N 0 0 179.267 2.204 10 0 AEAERN CCc1cc(NC)nc(CC(C)C)n1 50850873 343286368 /nfs/dbraw/zinc/28/63/68/343286368.db2.gz QFWKLSOYRVGDHZ-UHFFFAOYSA-N 0 0 193.294 2.279 10 0 AEAERN CC(C)c1nc(N)c2c(n1)CCCC2 50846743 343286396 /nfs/dbraw/zinc/28/63/96/343286396.db2.gz LXIQDFXSQSSKNS-UHFFFAOYSA-N 0 0 191.278 2.061 10 0 AEAERN CNc1ccc(COC(C)C)cn1 50831843 343286399 /nfs/dbraw/zinc/28/63/99/343286399.db2.gz IBCOEPOQIKCTRI-UHFFFAOYSA-N 0 0 180.251 2.048 10 0 AEAERN CC(C)SCc1ccc(N)nc1 50839048 343286403 /nfs/dbraw/zinc/28/64/03/343286403.db2.gz MLKOYTGSYWJRPE-UHFFFAOYSA-N 0 0 182.292 2.305 10 0 AEAERN Cc1nc(CCC(C)C)nc(N)c1C 50847424 343286414 /nfs/dbraw/zinc/28/64/14/343286414.db2.gz WKTFMEOSDRABAL-UHFFFAOYSA-N 0 0 193.294 2.264 10 0 AEAERN Cc1ccc(F)c2nccc(N)c12 50843804 343286425 /nfs/dbraw/zinc/28/64/25/343286425.db2.gz GZWFPPWVZKZZAF-UHFFFAOYSA-N 0 0 176.194 2.265 10 0 AEAERN C[C@H]1CCC[C@@H](c2nccc(N)n2)C1 50847144 343286437 /nfs/dbraw/zinc/28/64/37/343286437.db2.gz BSPZNIVSQSMERY-DTWKUNHWSA-N 0 0 191.278 2.353 10 0 AEAERN Cc1cc(F)c2nccc(N)c2c1 50844257 343286451 /nfs/dbraw/zinc/28/64/51/343286451.db2.gz UNAKQVYFTOAEAC-UHFFFAOYSA-N 0 0 176.194 2.265 10 0 AEAERN CCc1cc(NC)nc(C(C)(C)C)n1 50850913 343286453 /nfs/dbraw/zinc/28/64/53/343286453.db2.gz DCJOKWFWZSIPCF-UHFFFAOYSA-N 0 0 193.294 2.378 10 0 AEAERN CC(C)(O)Cc1ccc(F)cc1F 50885520 343286558 /nfs/dbraw/zinc/28/65/58/343286558.db2.gz XUOSNNGPUHIOIK-UHFFFAOYSA-N 0 0 186.201 2.278 10 0 AEAERN C[C@H](O)CCc1ccc(F)cc1F 50886443 343286676 /nfs/dbraw/zinc/28/66/76/343286676.db2.gz XGPCNCAUUPFBKO-ZETCQYMHSA-N 0 0 186.201 2.278 10 0 AEAERN C[C@@H](O)CCc1ccc(F)cc1F 50886444 343286830 /nfs/dbraw/zinc/28/68/30/343286830.db2.gz XGPCNCAUUPFBKO-SSDOTTSWSA-N 0 0 186.201 2.278 10 0 AEAERN O=C(c1ccco1)[C@H]1CCCCO1 50960437 343286972 /nfs/dbraw/zinc/28/69/72/343286972.db2.gz VTYQAXLPPHCILV-MRVPVSSYSA-N 0 0 180.203 2.031 10 0 AEAERN O=C(c1cccs1)[C@H]1CCCCO1 50960130 343287077 /nfs/dbraw/zinc/28/70/77/343287077.db2.gz VYXDRBTVIDMCAS-MRVPVSSYSA-N 0 0 196.271 2.500 10 0 AEAERN O=C(c1ccco1)[C@@H]1CCCCO1 50960435 343287152 /nfs/dbraw/zinc/28/71/52/343287152.db2.gz VTYQAXLPPHCILV-QMMMGPOBSA-N 0 0 180.203 2.031 10 0 AEAERN NC1=C(c2nc3ccccc3[nH]2)C=CC1 51075755 343288674 /nfs/dbraw/zinc/28/86/74/343288674.db2.gz KGYWRKBUIWKTFV-UHFFFAOYSA-N 0 0 197.241 2.193 10 0 AEAERN C/C=C/COc1nccnc1Cl 51173717 343289038 /nfs/dbraw/zinc/28/90/38/343289038.db2.gz DNWZLVRGEOQIPB-NSCUHMNNSA-N 0 0 184.626 2.085 10 0 AEAERN C/C=C/COc1nsnc1Cl 51173704 343289209 /nfs/dbraw/zinc/28/92/09/343289209.db2.gz GSMMVLXICSSBGS-NSCUHMNNSA-N 0 0 190.655 2.146 10 0 AEAERN CCc1cc(N)nc([C@H](C)CC)n1 51690797 343291605 /nfs/dbraw/zinc/29/16/05/343291605.db2.gz SUJXRDYOCAGZEI-SSDOTTSWSA-N 0 0 179.267 2.135 10 0 AEAERN CC[C@H](C)c1nc(C)c(C)c(N)n1 51690809 343291612 /nfs/dbraw/zinc/29/16/12/343291612.db2.gz PIJYMJRZDMBYTF-LURJTMIESA-N 0 0 179.267 2.189 10 0 AEAERN CCc1cc(N)nc([C@@H](C)CC)n1 51690796 343291635 /nfs/dbraw/zinc/29/16/35/343291635.db2.gz SUJXRDYOCAGZEI-ZETCQYMHSA-N 0 0 179.267 2.135 10 0 AEAERN CC[C@H](C)c1nc(N)c2c(n1)CCC2 51690779 343291680 /nfs/dbraw/zinc/29/16/80/343291680.db2.gz ZDBOWCIDJRMEDB-ZETCQYMHSA-N 0 0 191.278 2.061 10 0 AEAERN CCc1c(C)nc([C@H](C)CC)nc1N 51690788 343291773 /nfs/dbraw/zinc/29/17/73/343291773.db2.gz LIPOUALORRRNRA-SSDOTTSWSA-N 0 0 193.294 2.443 10 0 AEAERN CC[C@H](C)c1nccc(NC)n1 51690761 343291787 /nfs/dbraw/zinc/29/17/87/343291787.db2.gz FQJLNZMEEAJEIS-ZETCQYMHSA-N 0 0 165.240 2.032 10 0 AEAERN CC[C@H](C)c1ncc(C=O)s1 51690520 343291808 /nfs/dbraw/zinc/29/18/08/343291808.db2.gz QQFDQGGFRCLWMM-LURJTMIESA-N 0 0 169.249 2.469 10 0 AEAERN CCc1c(C)nc([C@@H](C)CC)nc1N 51690787 343291815 /nfs/dbraw/zinc/29/18/15/343291815.db2.gz LIPOUALORRRNRA-ZETCQYMHSA-N 0 0 193.294 2.443 10 0 AEAERN CC[C@@H](C)c1ncc(C=O)s1 51690519 343291866 /nfs/dbraw/zinc/29/18/66/343291866.db2.gz QQFDQGGFRCLWMM-ZCFIWIBFSA-N 0 0 169.249 2.469 10 0 AEAERN Clc1nc(C2CCCC2)no1 51690511 343291898 /nfs/dbraw/zinc/29/18/98/343291898.db2.gz HOGMKLHOLUPSSP-UHFFFAOYSA-N 0 0 172.615 2.381 10 0 AEAERN CC[C@H](C)c1nc(C=O)cs1 51690619 343291940 /nfs/dbraw/zinc/29/19/40/343291940.db2.gz PTCGFXMFOSORJQ-LURJTMIESA-N 0 0 169.249 2.469 10 0 AEAERN CCc1ccc([C@H](N)C(F)(F)F)o1 51726770 343292123 /nfs/dbraw/zinc/29/21/23/343292123.db2.gz CQJUVRXUKOQLDJ-ZETCQYMHSA-N 0 0 193.168 2.404 10 0 AEAERN CCc1ccc(CNc2cn[nH]c2)o1 51722284 343292129 /nfs/dbraw/zinc/29/21/29/343292129.db2.gz CLYXWCGBHJQWFZ-UHFFFAOYSA-N 0 0 191.234 2.177 10 0 AEAERN CCc1ccc([C@@H]2NCCS2)o1 51722998 343292146 /nfs/dbraw/zinc/29/21/46/343292146.db2.gz SZNABGQIFNWNDV-SECBINFHSA-N 0 0 183.276 2.177 10 0 AEAERN CCc1ccc(C(=O)C2CC2)o1 51726162 343292174 /nfs/dbraw/zinc/29/21/74/343292174.db2.gz HMCDTXMLHHTPRQ-UHFFFAOYSA-N 0 0 164.204 2.435 10 0 AEAERN CCc1ccc([C@@H](N)C(F)(F)F)o1 51726771 343292238 /nfs/dbraw/zinc/29/22/38/343292238.db2.gz CQJUVRXUKOQLDJ-SSDOTTSWSA-N 0 0 193.168 2.404 10 0 AEAERN CCc1ccc(C(=O)[C@H]2CCCO2)o1 51726216 343292265 /nfs/dbraw/zinc/29/22/65/343292265.db2.gz DBBDACWVNMTTKP-SECBINFHSA-N 0 0 194.230 2.204 10 0 AEAERN CCc1ccc(/C=C/[N+](=O)[O-])o1 51722798 343292283 /nfs/dbraw/zinc/29/22/83/343292283.db2.gz ILEDURJXFBGAJB-AATRIKPKSA-N 0 0 167.164 2.089 10 0 AEAERN CCc1ccc(C(=O)[C@@H]2CCOC2)o1 51726407 343292306 /nfs/dbraw/zinc/29/23/06/343292306.db2.gz JMDLVACQSRCYIS-MRVPVSSYSA-N 0 0 194.230 2.061 10 0 AEAERN CCc1ccc(C(=O)[C@@H]2CCCO2)o1 51726214 343292348 /nfs/dbraw/zinc/29/23/48/343292348.db2.gz DBBDACWVNMTTKP-VIFPVBQESA-N 0 0 194.230 2.204 10 0 AEAERN CC[C@H](O)CNc1c(C)cccc1C 51753960 343292766 /nfs/dbraw/zinc/29/27/66/343292766.db2.gz XKWDWUYMFUNIBW-NSHDSACASA-N 0 0 193.290 2.486 10 0 AEAERN CC[C@@H](O)CNc1c(C)cccc1C 51753962 343292836 /nfs/dbraw/zinc/29/28/36/343292836.db2.gz XKWDWUYMFUNIBW-LLVKDONJSA-N 0 0 193.290 2.486 10 0 AEAERN CC[C@H](C)Oc1cccc(NN)c1 51780235 343293319 /nfs/dbraw/zinc/29/33/19/343293319.db2.gz ILSILTDCDTXTAT-QMMMGPOBSA-N 0 0 180.251 2.150 10 0 AEAERN c1cncc(NCc2ccc[nH]2)c1 51787847 343293417 /nfs/dbraw/zinc/29/34/17/343293417.db2.gz OCKUTBPPWNDILS-UHFFFAOYSA-N 0 0 173.219 2.022 10 0 AEAERN Oc1ccc(NCc2ccc[nH]2)cc1 51789022 343293680 /nfs/dbraw/zinc/29/36/80/343293680.db2.gz MBDTZMUPACASSI-UHFFFAOYSA-N 0 0 188.230 2.332 10 0 AEAERN CC1(C)C[C@H]1Nc1ccnc(Cl)n1 51850295 343294432 /nfs/dbraw/zinc/29/44/32/343294432.db2.gz YQNDVYQFYBSKGG-ZCFIWIBFSA-N 0 0 197.669 2.340 10 0 AEAERN C[C@H](Nc1ccnc(Cl)n1)C1CC1 51849519 343294589 /nfs/dbraw/zinc/29/45/89/343294589.db2.gz MMYRYYLBYIXZPJ-LURJTMIESA-N 0 0 197.669 2.340 10 0 AEAERN C[C@H]1CCCN1c1ccnc(Cl)n1 51849634 343294600 /nfs/dbraw/zinc/29/46/00/343294600.db2.gz GMGWYJXYHKPWQZ-ZETCQYMHSA-N 0 0 197.669 2.119 10 0 AEAERN Cc1ncn(-c2ccccc2N)c1C 51925462 343296144 /nfs/dbraw/zinc/29/61/44/343296144.db2.gz RNUXIJWYOUWWMF-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN CC(C)N(C)c1cc(F)ccc1N 52118795 343300445 /nfs/dbraw/zinc/30/04/45/343300445.db2.gz GMANJXAKUNYJKX-UHFFFAOYSA-N 0 0 182.242 2.253 10 0 AEAERN Cc1cccc(Cc2n[nH]c(C)n2)c1 52136488 343301423 /nfs/dbraw/zinc/30/14/23/343301423.db2.gz WDYCXIFZHUIDFI-UHFFFAOYSA-N 0 0 187.246 2.012 10 0 AEAERN Cc1cccc(CC(=O)C(F)F)c1 52136392 343301476 /nfs/dbraw/zinc/30/14/76/343301476.db2.gz WCLZNCNZWKLTJA-UHFFFAOYSA-N 0 0 184.185 2.372 10 0 AEAERN CCc1cccc2c1CC[C@@H]2O 52201505 343301674 /nfs/dbraw/zinc/30/16/74/343301674.db2.gz UCIMZBKZWASBRO-NSHDSACASA-N 0 0 162.232 2.229 10 0 AEAERN CCc1cccc2c1CC[C@H]2O 52201508 343301684 /nfs/dbraw/zinc/30/16/84/343301684.db2.gz UCIMZBKZWASBRO-LLVKDONJSA-N 0 0 162.232 2.229 10 0 AEAERN CCc1cccc2c1CCC2=O 52201465 343301829 /nfs/dbraw/zinc/30/18/29/343301829.db2.gz UHRSBAQYOGCQKA-UHFFFAOYSA-N 0 0 160.216 2.378 10 0 AEAERN CCc1ccccc1C(=N)OC 52201276 343301839 /nfs/dbraw/zinc/30/18/39/343301839.db2.gz QOKQNDDPWRUEPR-UHFFFAOYSA-N 0 0 163.220 2.221 10 0 AEAERN Cc1cccnc1NC1CCC1 52211308 343302070 /nfs/dbraw/zinc/30/20/70/343302070.db2.gz YHLSTZPYKUECEN-UHFFFAOYSA-N 0 0 162.236 2.354 10 0 AEAERN CCc1n[nH]c(=S)n1C1CCC1 52211828 343302337 /nfs/dbraw/zinc/30/23/37/343302337.db2.gz YWEUFMLQFXJEHF-UHFFFAOYSA-N 0 0 183.280 2.228 10 0 AEAERN CC[C@H](C(=O)OC)c1cccc(F)c1 52248301 343302747 /nfs/dbraw/zinc/30/27/47/343302747.db2.gz VEUDJDLKJPWXJF-JTQLQIEISA-N 0 0 196.221 2.492 10 0 AEAERN C[C@H]1C[C@H]1Nc1cccc(N)c1 52273629 343303422 /nfs/dbraw/zinc/30/34/22/343303422.db2.gz HJHRKFXFFKCYCX-OIBJUYFYSA-N 0 0 162.236 2.089 10 0 AEAERN C[C@H]1C[C@@H]1Nc1ccc(F)cc1N 52273693 343303438 /nfs/dbraw/zinc/30/34/38/343303438.db2.gz IFODZQYORKPKLV-WKEGUHRASA-N 0 0 180.226 2.228 10 0 AEAERN C[C@H]1C[C@H]1Nc1c(F)cc(N)cc1F 52274505 343303697 /nfs/dbraw/zinc/30/36/97/343303697.db2.gz GKLJPGYBRKUEQN-SSDLBLMSSA-N 0 0 198.216 2.367 10 0 AEAERN Cc1cc(N)ccc1N[C@H]1C[C@@H]1C 52273814 343303794 /nfs/dbraw/zinc/30/37/94/343303794.db2.gz MZHBJQRCJIIMSU-KWQFWETISA-N 0 0 176.263 2.398 10 0 AEAERN Cc1ccc(N[C@@H]2C[C@H]2C)c(N)c1 52273861 343303797 /nfs/dbraw/zinc/30/37/97/343303797.db2.gz YGCMARPCWXRYFI-LDYMZIIASA-N 0 0 176.263 2.398 10 0 AEAERN Cc1cc(N[C@H]2C[C@@H]2C)ccc1N 52274021 343303844 /nfs/dbraw/zinc/30/38/44/343303844.db2.gz IEFMEYQBLBTZBK-KWQFWETISA-N 0 0 176.263 2.398 10 0 AEAERN C[C@H]1C[C@@H]1Nc1c(F)cc(N)cc1F 52274502 343303853 /nfs/dbraw/zinc/30/38/53/343303853.db2.gz GKLJPGYBRKUEQN-CDUCUWFYSA-N 0 0 198.216 2.367 10 0 AEAERN Cc1cc(N[C@@H]2C[C@@H]2C)ccc1N 52274019 343303892 /nfs/dbraw/zinc/30/38/92/343303892.db2.gz IEFMEYQBLBTZBK-GZMMTYOYSA-N 0 0 176.263 2.398 10 0 AEAERN Cc1cc(C=O)c(C)n1[C@@H]1C[C@H]1C 52288707 343304252 /nfs/dbraw/zinc/30/42/52/343304252.db2.gz RHGLLISXEWCXQY-RDDDGLTNSA-N 0 0 177.247 2.498 10 0 AEAERN Cc1ccnc(N[C@H]2C[C@@H]2C)c1 52290734 343304489 /nfs/dbraw/zinc/30/44/89/343304489.db2.gz MTYRULZLTPLPBA-IUCAKERBSA-N 0 0 162.236 2.210 10 0 AEAERN Cc1cccnc1N[C@H]1C[C@@H]1C 52290312 343304496 /nfs/dbraw/zinc/30/44/96/343304496.db2.gz YRSZWTRIPHTTON-IUCAKERBSA-N 0 0 162.236 2.210 10 0 AEAERN Cc1cccnc1N[C@H]1C[C@H]1C 52290317 343304523 /nfs/dbraw/zinc/30/45/23/343304523.db2.gz YRSZWTRIPHTTON-BDAKNGLRSA-N 0 0 162.236 2.210 10 0 AEAERN CC(C)c1cc(N[C@@H]2C[C@H]2C)ncn1 52290618 343304554 /nfs/dbraw/zinc/30/45/54/343304554.db2.gz SFIKCQXBZYGOCP-PSASIEDQSA-N 0 0 191.278 2.420 10 0 AEAERN CC(C)c1cc(N[C@@H]2C[C@@H]2C)ncn1 52290621 343304572 /nfs/dbraw/zinc/30/45/72/343304572.db2.gz SFIKCQXBZYGOCP-WCBMZHEXSA-N 0 0 191.278 2.420 10 0 AEAERN Cc1ccnc(N[C@@H]2C[C@H]2C)c1 52290737 343304585 /nfs/dbraw/zinc/30/45/85/343304585.db2.gz MTYRULZLTPLPBA-RKDXNWHRSA-N 0 0 162.236 2.210 10 0 AEAERN Cc1ccnc(N[C@H]2C[C@H]2C)c1 52290740 343304596 /nfs/dbraw/zinc/30/45/96/343304596.db2.gz MTYRULZLTPLPBA-BDAKNGLRSA-N 0 0 162.236 2.210 10 0 AEAERN Cc1cccc(N[C@@H]2C[C@@H]2C)n1 52290113 343304602 /nfs/dbraw/zinc/30/46/02/343304602.db2.gz BQVUBMZRQZBSGJ-IONNQARKSA-N 0 0 162.236 2.210 10 0 AEAERN C[C@H]1C[C@H]1Nc1cnc2ccccc2n1 52290481 343304660 /nfs/dbraw/zinc/30/46/60/343304660.db2.gz UEDSPDBIXJWVJX-GZMMTYOYSA-N 0 0 199.257 2.450 10 0 AEAERN Cc1cccc(N[C@H]2C[C@@H]2C)n1 52290116 343304678 /nfs/dbraw/zinc/30/46/78/343304678.db2.gz BQVUBMZRQZBSGJ-CBAPKCEASA-N 0 0 162.236 2.210 10 0 AEAERN C[C@H]1C[C@@H]1Nc1ccc(F)cn1 52290646 343304703 /nfs/dbraw/zinc/30/47/03/343304703.db2.gz USXOGYGDROVISL-XPUUQOCRSA-N 0 0 166.199 2.041 10 0 AEAERN Cc1cccnc1N[C@@H]1C[C@@H]1C 52290309 343304707 /nfs/dbraw/zinc/30/47/07/343304707.db2.gz YRSZWTRIPHTTON-DTWKUNHWSA-N 0 0 162.236 2.210 10 0 AEAERN Cc1csc(N[C@@H]2C[C@@H]2C)n1 52291816 343304833 /nfs/dbraw/zinc/30/48/33/343304833.db2.gz KOMIYXTZELFJRT-CAHLUQPWSA-N 0 0 168.265 2.272 10 0 AEAERN C[C@@H]1C[C@H]1n1c(C2CC2)n[nH]c1=S 52292839 343304856 /nfs/dbraw/zinc/30/48/56/343304856.db2.gz ZSLWBQNHLNBSDM-IYSWYEEDSA-N 0 0 195.291 2.399 10 0 AEAERN CCCC1N=NC(=S)N1[C@H]1C[C@@H]1C 52292795 343304894 /nfs/dbraw/zinc/30/48/94/343304894.db2.gz OZXBTEVYERWJOS-BQBZGAKWSA-N 0 0 197.307 2.100 10 0 AEAERN C[C@H]1C[C@H]1n1cc[nH]c1=S 52292395 343304914 /nfs/dbraw/zinc/30/49/14/343304914.db2.gz MIRHLYIZLQRNTL-NTSWFWBYSA-N 0 0 154.238 2.127 10 0 AEAERN C[C@H]1C[C@@H]1n1c(C2CC2)n[nH]c1=S 52292837 343304927 /nfs/dbraw/zinc/30/49/27/343304927.db2.gz ZSLWBQNHLNBSDM-FSPLSTOPSA-N 0 0 195.291 2.399 10 0 AEAERN Cc1ccc(N[C@@H]2C[C@@H]2C)nc1 52291868 343304933 /nfs/dbraw/zinc/30/49/33/343304933.db2.gz MNOHRFDMKUGHFA-DTWKUNHWSA-N 0 0 162.236 2.210 10 0 AEAERN CCCC1N=NC(=S)N1[C@H]1C[C@H]1C 52292799 343304960 /nfs/dbraw/zinc/30/49/60/343304960.db2.gz OZXBTEVYERWJOS-RQJHMYQMSA-N 0 0 197.307 2.100 10 0 AEAERN CCc1n[nH]c(=S)n1[C@H]1C[C@@H]1C 52292872 343304967 /nfs/dbraw/zinc/30/49/67/343304967.db2.gz FUGCAUNICAORAB-WDSKDSINSA-N 0 0 183.280 2.084 10 0 AEAERN C[C@H]1C[C@@H]1n1cc[nH]c1=S 52292391 343304969 /nfs/dbraw/zinc/30/49/69/343304969.db2.gz MIRHLYIZLQRNTL-WDSKDSINSA-N 0 0 154.238 2.127 10 0 AEAERN Cc1csc(N[C@H]2C[C@@H]2C)n1 52291819 343304972 /nfs/dbraw/zinc/30/49/72/343304972.db2.gz KOMIYXTZELFJRT-FSPLSTOPSA-N 0 0 168.265 2.272 10 0 AEAERN CCc1n[nH]c(=S)n1[C@@H]1C[C@@H]1C 52292870 343304973 /nfs/dbraw/zinc/30/49/73/343304973.db2.gz FUGCAUNICAORAB-NTSWFWBYSA-N 0 0 183.280 2.084 10 0 AEAERN Cc1ccc(N[C@H]2C[C@@H]2C)nc1 52291871 343304978 /nfs/dbraw/zinc/30/49/78/343304978.db2.gz MNOHRFDMKUGHFA-IUCAKERBSA-N 0 0 162.236 2.210 10 0 AEAERN C[C@@H]1C[C@@H]1n1cc[nH]c1=S 52292389 343304981 /nfs/dbraw/zinc/30/49/81/343304981.db2.gz MIRHLYIZLQRNTL-RITPCOANSA-N 0 0 154.238 2.127 10 0 AEAERN C[C@@H]1C[C@@H]1n1c(C2CC2)n[nH]c1=S 52292834 343305004 /nfs/dbraw/zinc/30/50/04/343305004.db2.gz ZSLWBQNHLNBSDM-VDTYLAMSSA-N 0 0 195.291 2.399 10 0 AEAERN Cc1ccc(N[C@H]2C[C@H]2C)nc1 52291877 343305008 /nfs/dbraw/zinc/30/50/08/343305008.db2.gz MNOHRFDMKUGHFA-BDAKNGLRSA-N 0 0 162.236 2.210 10 0 AEAERN Cc1csc(N[C@@H]2C[C@H]2C)n1 52291821 343305045 /nfs/dbraw/zinc/30/50/45/343305045.db2.gz KOMIYXTZELFJRT-IYSWYEEDSA-N 0 0 168.265 2.272 10 0 AEAERN CCCC1N=NC(=S)N1[C@@H]1C[C@H]1C 52292796 343305051 /nfs/dbraw/zinc/30/50/51/343305051.db2.gz OZXBTEVYERWJOS-RNFRBKRXSA-N 0 0 197.307 2.100 10 0 AEAERN Cc1csc(N[C@H]2C[C@H]2C)n1 52291824 343305058 /nfs/dbraw/zinc/30/50/58/343305058.db2.gz KOMIYXTZELFJRT-VDTYLAMSSA-N 0 0 168.265 2.272 10 0 AEAERN C[C@@H]1C[C@H]1n1cc[nH]c1=S 52292394 343305060 /nfs/dbraw/zinc/30/50/60/343305060.db2.gz MIRHLYIZLQRNTL-PHDIDXHHSA-N 0 0 154.238 2.127 10 0 AEAERN C[C@H]1C[C@H]1Nc1cccc(F)n1 52297958 343305203 /nfs/dbraw/zinc/30/52/03/343305203.db2.gz HUCHOPMSNVGDJV-NKWVEPMBSA-N 0 0 166.199 2.041 10 0 AEAERN C[C@@H]1C[C@@H]1n1cccc1 52297853 343305224 /nfs/dbraw/zinc/30/52/24/343305224.db2.gz QIZUJSRPOFBMBN-SFYZADRCSA-N 0 0 121.183 2.069 10 0 AEAERN C[C@H]1C[C@@H]1n1cccc1 52297856 343305247 /nfs/dbraw/zinc/30/52/47/343305247.db2.gz QIZUJSRPOFBMBN-YUMQZZPRSA-N 0 0 121.183 2.069 10 0 AEAERN C[C@H]1C[C@H]1n1cccc1 52297860 343305249 /nfs/dbraw/zinc/30/52/49/343305249.db2.gz QIZUJSRPOFBMBN-JGVFFNPUSA-N 0 0 121.183 2.069 10 0 AEAERN C[C@@H]1C[C@H]1n1cccc1 52297857 343305253 /nfs/dbraw/zinc/30/52/53/343305253.db2.gz QIZUJSRPOFBMBN-HTQZYQBOSA-N 0 0 121.183 2.069 10 0 AEAERN C[C@H]1C[C@@H]1Nc1cccc(F)n1 52297952 343305276 /nfs/dbraw/zinc/30/52/76/343305276.db2.gz HUCHOPMSNVGDJV-BQBZGAKWSA-N 0 0 166.199 2.041 10 0 AEAERN CCCn1[nH]c(CC)cc1=S 52305680 343305548 /nfs/dbraw/zinc/30/55/48/343305548.db2.gz RSORYBWJFYVWIV-UHFFFAOYSA-N 0 0 170.281 2.144 10 0 AEAERN Cc1cc(=S)n(C(C)(C)C)[nH]1 52305147 343305566 /nfs/dbraw/zinc/30/55/66/343305566.db2.gz LPLXQCHLQMKXBG-UHFFFAOYSA-N 0 0 170.281 2.235 10 0 AEAERN O=c1ccn(C2CCCC2)c(=S)[nH]1 52312649 343305577 /nfs/dbraw/zinc/30/55/77/343305577.db2.gz FPSNOEULICNLMT-UHFFFAOYSA-N 0 0 196.275 2.021 10 0 AEAERN CCC(C)(C)n1ccc(=O)[nH]c1=S 52312655 343305600 /nfs/dbraw/zinc/30/56/00/343305600.db2.gz XDPSKUQLKJATJY-UHFFFAOYSA-N 0 0 198.291 2.051 10 0 AEAERN CC(C)[C@@H](C)n1ccc(=O)[nH]c1=S 52312350 343305611 /nfs/dbraw/zinc/30/56/11/343305611.db2.gz ASGDPGISGBTDLG-SSDOTTSWSA-N 0 0 198.291 2.123 10 0 AEAERN CCn1[nH]c(C(C)C)cc1=S 52305660 343305629 /nfs/dbraw/zinc/30/56/29/343305629.db2.gz DTEMHOWESWCZCJ-UHFFFAOYSA-N 0 0 170.281 2.315 10 0 AEAERN CC[C@@H](C)n1[nH]c(C)cc1=S 52305475 343305637 /nfs/dbraw/zinc/30/56/37/343305637.db2.gz WFYJISOFSIRSPI-SSDOTTSWSA-N 0 0 170.281 2.451 10 0 AEAERN CCc1cc(=S)n(C(C)(C)C)[nH]1 52305160 343305719 /nfs/dbraw/zinc/30/57/19/343305719.db2.gz OVAVIQARLURRCN-UHFFFAOYSA-N 0 0 184.308 2.489 10 0 AEAERN CC[C@H](C)n1[nH]c(C)cc1=S 52305478 343305727 /nfs/dbraw/zinc/30/57/27/343305727.db2.gz WFYJISOFSIRSPI-ZETCQYMHSA-N 0 0 170.281 2.451 10 0 AEAERN Cc1cc(=S)n(CC(C)C)[nH]1 52305192 343305730 /nfs/dbraw/zinc/30/57/30/343305730.db2.gz OMVLBSOJQAOZBM-UHFFFAOYSA-N 0 0 170.281 2.136 10 0 AEAERN CCC(CC)n1ccc(=O)[nH]c1=S 52312651 343305751 /nfs/dbraw/zinc/30/57/51/343305751.db2.gz WFOVRZFLLVGCMK-UHFFFAOYSA-N 0 0 198.291 2.267 10 0 AEAERN Cc1cc(=S)n([C@@H](C)C2CC2)[nH]1 52305606 343305756 /nfs/dbraw/zinc/30/57/56/343305756.db2.gz ZJEXZQOPSFHZDC-ZETCQYMHSA-N 0 0 182.292 2.451 10 0 AEAERN CC(C)[C@H](C)n1ccc(=O)[nH]c1=S 52312352 343305768 /nfs/dbraw/zinc/30/57/68/343305768.db2.gz ASGDPGISGBTDLG-ZETCQYMHSA-N 0 0 198.291 2.123 10 0 AEAERN Cn1[nH]c(C(C)(C)C)cc1=S 52304943 343305818 /nfs/dbraw/zinc/30/58/18/343305818.db2.gz VYIDQENMLVMQIF-UHFFFAOYSA-N 0 0 170.281 2.006 10 0 AEAERN Cc1cc(=S)n([C@H](C)C2CC2)[nH]1 52305609 343305831 /nfs/dbraw/zinc/30/58/31/343305831.db2.gz ZJEXZQOPSFHZDC-SSDOTTSWSA-N 0 0 182.292 2.451 10 0 AEAERN CCn1[nH]c(C(C)(C)C)cc1=S 52305654 343305856 /nfs/dbraw/zinc/30/58/56/343305856.db2.gz IQFYOPFBQZFFIE-UHFFFAOYSA-N 0 0 184.308 2.489 10 0 AEAERN CCc1cc(=S)n(C(C)C)[nH]1 52305593 343305859 /nfs/dbraw/zinc/30/58/59/343305859.db2.gz IKVFZUAPRUGQPT-UHFFFAOYSA-N 0 0 170.281 2.315 10 0 AEAERN CCCc1cc(=S)n(CC)[nH]1 52305651 343305878 /nfs/dbraw/zinc/30/58/78/343305878.db2.gz IRUCSCQIVMNQMY-UHFFFAOYSA-N 0 0 170.281 2.144 10 0 AEAERN CC(C)SCc1cccnc1N 52756492 343307087 /nfs/dbraw/zinc/30/70/87/343307087.db2.gz QOERWXIAIWBOCW-UHFFFAOYSA-N 0 0 182.292 2.305 10 0 AEAERN Cc1cc(N[C@H]2C[C@H]2C)nc(Cl)n1 52815101 343307269 /nfs/dbraw/zinc/30/72/69/343307269.db2.gz HHGCQGCCTQOUFE-VDTYLAMSSA-N 0 0 197.669 2.259 10 0 AEAERN CC[C@H](C)N(C)c1ncc(N)cc1C 52812615 343307297 /nfs/dbraw/zinc/30/72/97/343307297.db2.gz AAAYVMCPFSXBED-VIFPVBQESA-N 0 0 193.294 2.207 10 0 AEAERN Cc1ccc(CNc2cccnn2)cc1 52815943 343307315 /nfs/dbraw/zinc/30/73/15/343307315.db2.gz HPYGWPVGQWOYKY-UHFFFAOYSA-N 0 0 199.257 2.397 10 0 AEAERN Cc1cc(N)cnc1OC1CCCC1 52813603 343307331 /nfs/dbraw/zinc/30/73/31/343307331.db2.gz WUFLQFHJOGSDMQ-UHFFFAOYSA-N 0 0 192.262 2.294 10 0 AEAERN Cc1cc(N(C)C2CC2)nc(Cl)n1 52814306 343307379 /nfs/dbraw/zinc/30/73/79/343307379.db2.gz KIFVNUQGUIJJKX-UHFFFAOYSA-N 0 0 197.669 2.037 10 0 AEAERN C[C@H]1CCCC[C@H]1Nc1cccnn1 52815925 343307407 /nfs/dbraw/zinc/30/74/07/343307407.db2.gz QWFZATQDVFWGSF-VHSXEESVSA-N 0 0 191.278 2.467 10 0 AEAERN C[C@H]1CCCC[C@@H]1Nc1cccnn1 52815922 343307445 /nfs/dbraw/zinc/30/74/45/343307445.db2.gz QWFZATQDVFWGSF-UWVGGRQHSA-N 0 0 191.278 2.467 10 0 AEAERN Cc1cc(N[C@@H]2C[C@H]2C)nc(Cl)n1 52815099 343307449 /nfs/dbraw/zinc/30/74/49/343307449.db2.gz HHGCQGCCTQOUFE-IYSWYEEDSA-N 0 0 197.669 2.259 10 0 AEAERN Cc1cc(NC2CCC2)nc(Cl)n1 52815094 343307454 /nfs/dbraw/zinc/30/74/54/343307454.db2.gz GAWLDYADKKDXEM-UHFFFAOYSA-N 0 0 197.669 2.403 10 0 AEAERN Cc1cc(OCC2CC2)nc(Cl)n1 52813883 343307472 /nfs/dbraw/zinc/30/74/72/343307472.db2.gz INUXFYBPNQIJIR-UHFFFAOYSA-N 0 0 198.653 2.227 10 0 AEAERN C[C@H]1CCC[C@H](Nc2cccnn2)C1 52815990 343307477 /nfs/dbraw/zinc/30/74/77/343307477.db2.gz JMDPGWIVYOMONR-UWVGGRQHSA-N 0 0 191.278 2.467 10 0 AEAERN Cc1cc(OC(C)C)nc(Cl)n1 52813868 343307484 /nfs/dbraw/zinc/30/74/84/343307484.db2.gz XWDCCFCHMQBZTI-UHFFFAOYSA-N 0 0 186.642 2.226 10 0 AEAERN Cc1cc(OC2CCC2)nc(Cl)n1 52814049 343307485 /nfs/dbraw/zinc/30/74/85/343307485.db2.gz HKRQEZCAJLVULJ-UHFFFAOYSA-N 0 0 198.653 2.370 10 0 AEAERN Cc1cc(N)cnc1SC(C)C 52813826 343307502 /nfs/dbraw/zinc/30/75/02/343307502.db2.gz OVPOWXJPAUMZSW-UHFFFAOYSA-N 0 0 182.292 2.473 10 0 AEAERN CCCN(C)c1cc(C)nc(Cl)n1 52814314 343307509 /nfs/dbraw/zinc/30/75/09/343307509.db2.gz QCKHAKDNDKZMHW-UHFFFAOYSA-N 0 0 199.685 2.285 10 0 AEAERN C[C@H]1CCC[C@@H](Nc2cccnn2)C1 52815994 343307518 /nfs/dbraw/zinc/30/75/18/343307518.db2.gz JMDPGWIVYOMONR-VHSXEESVSA-N 0 0 191.278 2.467 10 0 AEAERN Cc1cc(N[C@@H]2C[C@@H]2C)nc(Cl)n1 52815096 343307521 /nfs/dbraw/zinc/30/75/21/343307521.db2.gz HHGCQGCCTQOUFE-CAHLUQPWSA-N 0 0 197.669 2.259 10 0 AEAERN Cc1cc(N[C@H]2C[C@@H]2C)nc(Cl)n1 52815097 343307533 /nfs/dbraw/zinc/30/75/33/343307533.db2.gz HHGCQGCCTQOUFE-FSPLSTOPSA-N 0 0 197.669 2.259 10 0 AEAERN Cc1cc(NCC2CC2)nc(Cl)n1 52814233 343307535 /nfs/dbraw/zinc/30/75/35/343307535.db2.gz KXEWQSOIDYCLQI-UHFFFAOYSA-N 0 0 197.669 2.260 10 0 AEAERN CC1(Nc2cccnn2)CCCC1 52831076 343307698 /nfs/dbraw/zinc/30/76/98/343307698.db2.gz UOTDKWQDIRGLEZ-UHFFFAOYSA-N 0 0 177.251 2.221 10 0 AEAERN CSc1ccc(NC#N)cc1 52832077 343307784 /nfs/dbraw/zinc/30/77/84/343307784.db2.gz MTIKZZDRZBSXLS-UHFFFAOYSA-N 0 0 164.233 2.301 10 0 AEAERN CCC[C@H](CC)Nc1cccnn1 52831371 343307795 /nfs/dbraw/zinc/30/77/95/343307795.db2.gz IUXRNGYBZKFJMT-VIFPVBQESA-N 0 0 179.267 2.467 10 0 AEAERN CCC[C@@H](CC)Nc1cccnn1 52831370 343307857 /nfs/dbraw/zinc/30/78/57/343307857.db2.gz IUXRNGYBZKFJMT-SECBINFHSA-N 0 0 179.267 2.467 10 0 AEAERN Cc1ccc(NC#N)cc1F 52832203 343307858 /nfs/dbraw/zinc/30/78/58/343307858.db2.gz LSYXBARKWNOFLM-UHFFFAOYSA-N 0 0 150.156 2.027 10 0 AEAERN Cc1ccc(F)cc1NC#N 52832198 343307879 /nfs/dbraw/zinc/30/78/79/343307879.db2.gz ADDHOCCCONJZEC-UHFFFAOYSA-N 0 0 150.156 2.027 10 0 AEAERN CC[C@H](C)[C@H](C)Nc1cccnn1 52831101 343307889 /nfs/dbraw/zinc/30/78/89/343307889.db2.gz POPYIGHKYAUITP-IUCAKERBSA-N 0 0 179.267 2.323 10 0 AEAERN N#CNC1CCCCCCC1 52832109 343307910 /nfs/dbraw/zinc/30/79/10/343307910.db2.gz IDDAUFSKTNYJIF-UHFFFAOYSA-N 0 0 152.241 2.170 10 0 AEAERN c1cnnc(NC(C2CC2)C2CC2)c1 52831162 343307913 /nfs/dbraw/zinc/30/79/13/343307913.db2.gz FWAIKKVBZDFVPC-UHFFFAOYSA-N 0 0 189.262 2.077 10 0 AEAERN CC[C@@H](Nc1cccnn1)C(C)C 52831128 343307916 /nfs/dbraw/zinc/30/79/16/343307916.db2.gz UVQCQSXGGDALTB-SECBINFHSA-N 0 0 179.267 2.323 10 0 AEAERN N#CN[C@H]1CCCc2ccccc21 52832443 343308093 /nfs/dbraw/zinc/30/80/93/343308093.db2.gz WXGSPZCPWWVXIP-NSHDSACASA-N 0 0 172.231 2.135 10 0 AEAERN N#CNCCC1CCCCC1 52832484 343308122 /nfs/dbraw/zinc/30/81/22/343308122.db2.gz LXPZQXFJIXRJDH-UHFFFAOYSA-N 0 0 152.241 2.027 10 0 AEAERN CCc1ccc([C@H](C)NC#N)cc1 52832531 343308124 /nfs/dbraw/zinc/30/81/24/343308124.db2.gz BTMIFURNKOLWCH-VIFPVBQESA-N 0 0 174.247 2.381 10 0 AEAERN CC(C)(CNC#N)c1ccccc1 52832519 343308158 /nfs/dbraw/zinc/30/81/58/343308158.db2.gz HWSNTCHFLCDECD-UHFFFAOYSA-N 0 0 174.247 2.035 10 0 AEAERN C[C@@H](NC#N)c1cccc(Cl)c1 52832566 343308364 /nfs/dbraw/zinc/30/83/64/343308364.db2.gz QODADUROJHCKOS-SSDOTTSWSA-N 0 0 180.638 2.472 10 0 AEAERN CC[C@@H](NC#N)c1cccs1 52832795 343308374 /nfs/dbraw/zinc/30/83/74/343308374.db2.gz LEOMHXDMDZZGPX-SSDOTTSWSA-N 0 0 166.249 2.270 10 0 AEAERN CC[C@@H]1CCCC[C@H]1NC#N 52832686 343308388 /nfs/dbraw/zinc/30/83/88/343308388.db2.gz RMWHHOFHCMACNN-RKDXNWHRSA-N 0 0 152.241 2.026 10 0 AEAERN C[C@H](NC#N)c1ccccc1Cl 52832768 343308390 /nfs/dbraw/zinc/30/83/90/343308390.db2.gz QQVVAGSQBPMQAY-ZETCQYMHSA-N 0 0 180.638 2.472 10 0 AEAERN CC[C@@H]1CCCC[C@@H]1NC#N 52832683 343308394 /nfs/dbraw/zinc/30/83/94/343308394.db2.gz RMWHHOFHCMACNN-BDAKNGLRSA-N 0 0 152.241 2.026 10 0 AEAERN Cc1ccccc1[C@H](C)NC#N 52832781 343308416 /nfs/dbraw/zinc/30/84/16/343308416.db2.gz NYHUTBGJFWUDJR-VIFPVBQESA-N 0 0 160.220 2.127 10 0 AEAERN C[C@@H](NC#N)c1ccc(Cl)cc1 52832774 343308433 /nfs/dbraw/zinc/30/84/33/343308433.db2.gz QVULANUXSDYJIC-SSDOTTSWSA-N 0 0 180.638 2.472 10 0 AEAERN Cc1ccc([C@@H](C)NC#N)s1 52832718 343308445 /nfs/dbraw/zinc/30/84/45/343308445.db2.gz OLAFEAZBFCKLMD-SSDOTTSWSA-N 0 0 166.249 2.188 10 0 AEAERN CCC1CCC(NC#N)CC1 52832691 343308450 /nfs/dbraw/zinc/30/84/50/343308450.db2.gz LORUIGHVTDOYKW-UHFFFAOYSA-N 0 0 152.241 2.026 10 0 AEAERN Cc1ccc([C@H](C)NC#N)s1 52832720 343308469 /nfs/dbraw/zinc/30/84/69/343308469.db2.gz OLAFEAZBFCKLMD-ZETCQYMHSA-N 0 0 166.249 2.188 10 0 AEAERN Cc1cc([C@H](C)NC#N)c(C)s1 52832762 343308492 /nfs/dbraw/zinc/30/84/92/343308492.db2.gz IPOXSWHKUKIWPO-ZETCQYMHSA-N 0 0 180.276 2.497 10 0 AEAERN Cc1ccc([C@@H](C)NC#N)cc1 52832813 343308516 /nfs/dbraw/zinc/30/85/16/343308516.db2.gz PTHQFOHXZBZGSF-SECBINFHSA-N 0 0 160.220 2.127 10 0 AEAERN C[C@H](NC#N)c1cccc(Cl)c1 52832564 343308521 /nfs/dbraw/zinc/30/85/21/343308521.db2.gz QODADUROJHCKOS-ZETCQYMHSA-N 0 0 180.638 2.472 10 0 AEAERN Cc1ccccc1[C@@H](C)NC#N 52832779 343308526 /nfs/dbraw/zinc/30/85/26/343308526.db2.gz NYHUTBGJFWUDJR-SECBINFHSA-N 0 0 160.220 2.127 10 0 AEAERN Cc1c(F)cccc1NC#N 52832862 343308621 /nfs/dbraw/zinc/30/86/21/343308621.db2.gz HQAMMLVITJCEPV-UHFFFAOYSA-N 0 0 150.156 2.027 10 0 AEAERN CC[C@H](NC#N)C1CCCCC1 52833058 343308729 /nfs/dbraw/zinc/30/87/29/343308729.db2.gz BRJKDPLQNKCXOL-JTQLQIEISA-N 0 0 166.268 2.416 10 0 AEAERN N#CNCc1cccc2ccccc12 52833042 343308741 /nfs/dbraw/zinc/30/87/41/343308741.db2.gz CBCYSBSSGZPXHK-UHFFFAOYSA-N 0 0 182.226 2.410 10 0 AEAERN Cc1cc([C@H](C)NC#N)c(C)o1 52832911 343308772 /nfs/dbraw/zinc/30/87/72/343308772.db2.gz ZCXHSFFWRWGZDF-ZETCQYMHSA-N 0 0 164.208 2.028 10 0 AEAERN C[C@H](NC#N)C1CCCCC1 52833055 343308905 /nfs/dbraw/zinc/30/89/05/343308905.db2.gz KJDOMQCGLOBHOF-QMMMGPOBSA-N 0 0 152.241 2.026 10 0 AEAERN C[C@@H](NC#N)C1CCCCC1 52833057 343308864 /nfs/dbraw/zinc/30/88/64/343308864.db2.gz KJDOMQCGLOBHOF-MRVPVSSYSA-N 0 0 152.241 2.026 10 0 AEAERN Cc1cc([C@@H](C)NC#N)c(C)o1 52832908 343308896 /nfs/dbraw/zinc/30/88/96/343308896.db2.gz ZCXHSFFWRWGZDF-SSDOTTSWSA-N 0 0 164.208 2.028 10 0 AEAERN CC[C@@H](NC#N)C1CCCCC1 52833060 343308899 /nfs/dbraw/zinc/30/88/99/343308899.db2.gz BRJKDPLQNKCXOL-SNVBAGLBSA-N 0 0 166.268 2.416 10 0 AEAERN CCCN(C)c1cc(Cl)nc(C)n1 52836043 343310514 /nfs/dbraw/zinc/31/05/14/343310514.db2.gz ALFFSIATBKAFBD-UHFFFAOYSA-N 0 0 199.685 2.285 10 0 AEAERN Cc1nc(Cl)cc(N[C@@H]2C[C@@H]2C)n1 52837568 343310617 /nfs/dbraw/zinc/31/06/17/343310617.db2.gz RQHBSWGEUKUQSJ-CAHLUQPWSA-N 0 0 197.669 2.259 10 0 AEAERN Cc1nc(Cl)cc(OC2CCC2)n1 52835365 343310664 /nfs/dbraw/zinc/31/06/64/343310664.db2.gz RXNQMDLZCMKQFT-UHFFFAOYSA-N 0 0 198.653 2.370 10 0 AEAERN Cc1nc(Cl)cc(N[C@H]2C[C@@H]2C)n1 52837571 343310729 /nfs/dbraw/zinc/31/07/29/343310729.db2.gz RQHBSWGEUKUQSJ-FSPLSTOPSA-N 0 0 197.669 2.259 10 0 AEAERN Cc1nc(Cl)cc(OC(C)C)n1 52834885 343310840 /nfs/dbraw/zinc/31/08/40/343310840.db2.gz JELXEWAURQCDRS-UHFFFAOYSA-N 0 0 186.642 2.226 10 0 AEAERN Cc1nc(Cl)cc(N[C@H]2C[C@H]2C)n1 52837574 343310924 /nfs/dbraw/zinc/31/09/24/343310924.db2.gz RQHBSWGEUKUQSJ-VDTYLAMSSA-N 0 0 197.669 2.259 10 0 AEAERN Cc1nc(Cl)cc(N[C@@H]2C[C@H]2C)n1 52837572 343310961 /nfs/dbraw/zinc/31/09/61/343310961.db2.gz RQHBSWGEUKUQSJ-IYSWYEEDSA-N 0 0 197.669 2.259 10 0 AEAERN C[C@H]1C[C@@H]1n1cnc2cc(N)ccc21 52853489 343311106 /nfs/dbraw/zinc/31/11/06/343311106.db2.gz OBOSGLDTTHFLNI-CPCISQLKSA-N 0 0 187.246 2.199 10 0 AEAERN Cc1ccc(-n2ccc(C)n2)c(N)c1 52855784 343311160 /nfs/dbraw/zinc/31/11/60/343311160.db2.gz NYFZHECNSPGWKJ-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN Cc1ccn(-c2ccc(N)c(C)c2)n1 52855797 343311358 /nfs/dbraw/zinc/31/13/58/343311358.db2.gz HLKVSAOAVKSIFV-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN Cc1ccn(-c2ccc(N)cc2C)n1 52855781 343311368 /nfs/dbraw/zinc/31/13/68/343311368.db2.gz MUWXVOBLBXQNLH-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN OC1(c2cncnc2)CCCCCC1 52887538 343311497 /nfs/dbraw/zinc/31/14/97/343311497.db2.gz LTSZKIUNHQTMOH-UHFFFAOYSA-N 0 0 192.262 2.018 10 0 AEAERN CC(C)[C@@H](O)Cc1cccs1 52900119 343311506 /nfs/dbraw/zinc/31/15/06/343311506.db2.gz ZVBZKIXDFJUQBI-VIFPVBQESA-N 0 0 170.277 2.308 10 0 AEAERN O=C(c1cncnc1)C1CCCCC1 52886699 343311646 /nfs/dbraw/zinc/31/16/46/343311646.db2.gz CTDISNSGTNJDME-UHFFFAOYSA-N 0 0 190.246 2.240 10 0 AEAERN C[C@](O)(c1ccccc1F)C1CC1 52887866 343311672 /nfs/dbraw/zinc/31/16/72/343311672.db2.gz SRGSPJQHWVIECW-LLVKDONJSA-N 0 0 180.222 2.443 10 0 AEAERN C[C@@](O)(c1ccccc1F)C1CC1 52887865 343311688 /nfs/dbraw/zinc/31/16/88/343311688.db2.gz SRGSPJQHWVIECW-NSHDSACASA-N 0 0 180.222 2.443 10 0 AEAERN CC(C)[C@H](O)Cc1cccs1 52900117 343311706 /nfs/dbraw/zinc/31/17/06/343311706.db2.gz ZVBZKIXDFJUQBI-SECBINFHSA-N 0 0 170.277 2.308 10 0 AEAERN Cc1ccc(N)c(-c2cncnc2)c1 52886557 343311708 /nfs/dbraw/zinc/31/17/08/343311708.db2.gz NUCRBJFMQJTCSR-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1cc(N)ccc1-c1cncnc1 52886556 343311724 /nfs/dbraw/zinc/31/17/24/343311724.db2.gz BZXOAZNFWYHPRW-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1ccc(F)c(-c2n[nH]c(C)n2)c1 52984418 343311906 /nfs/dbraw/zinc/31/19/06/343311906.db2.gz KKXUPVXPTLSZOS-UHFFFAOYSA-N 0 0 191.209 2.228 10 0 AEAERN Cc1ccc(Cn2cc[nH]c2=S)o1 53039810 343312663 /nfs/dbraw/zinc/31/26/63/343312663.db2.gz WVLPVTRGQSYUOV-UHFFFAOYSA-N 0 0 194.259 2.495 10 0 AEAERN O=C(Cc1cccnc1)C1CCCC1 53130203 343312833 /nfs/dbraw/zinc/31/28/33/343312833.db2.gz KUVZRURTTMMPTB-UHFFFAOYSA-N 0 0 189.258 2.383 10 0 AEAERN CC(C)(C)[C@@H](O)Cc1ccncc1 53134427 343312847 /nfs/dbraw/zinc/31/28/47/343312847.db2.gz AWPLAYBMLCIYNA-JTQLQIEISA-N 0 0 179.263 2.031 10 0 AEAERN N#CNCc1ccc(F)c(Cl)c1 53157403 343312849 /nfs/dbraw/zinc/31/28/49/343312849.db2.gz PZRVUCUHWHNPAP-UHFFFAOYSA-N 0 0 184.601 2.050 10 0 AEAERN CC(C)(C)[C@@H](O)Cc1cccnc1 53130497 343312859 /nfs/dbraw/zinc/31/28/59/343312859.db2.gz SWXFPIFKSDDKPS-JTQLQIEISA-N 0 0 179.263 2.031 10 0 AEAERN CN(c1c(N)ccc(F)c1F)C1CC1 53164659 343312928 /nfs/dbraw/zinc/31/29/28/343312928.db2.gz BCHWOBOSMDQXEV-UHFFFAOYSA-N 0 0 198.216 2.146 10 0 AEAERN O[C@@H](Cc1ccncc1)C1CCCC1 53134167 343312946 /nfs/dbraw/zinc/31/29/46/343312946.db2.gz BYLGRVZNCDWCAD-LBPRGKRZSA-N 0 0 191.274 2.175 10 0 AEAERN O[C@@H](Cc1cccnc1)C1CCCC1 53130299 343312950 /nfs/dbraw/zinc/31/29/50/343312950.db2.gz JJSAKRAVPYGDDY-LBPRGKRZSA-N 0 0 191.274 2.175 10 0 AEAERN CC(C)(C)[C@H](O)Cc1ccncc1 53134423 343312952 /nfs/dbraw/zinc/31/29/52/343312952.db2.gz AWPLAYBMLCIYNA-SNVBAGLBSA-N 0 0 179.263 2.031 10 0 AEAERN O=C(Cc1ccncc1)C1CCCC1 53134057 343312963 /nfs/dbraw/zinc/31/29/63/343312963.db2.gz IVBDNGWCERYRQL-UHFFFAOYSA-N 0 0 189.258 2.383 10 0 AEAERN O[C@H](Cc1ccncc1)C1CCCC1 53134173 343312977 /nfs/dbraw/zinc/31/29/77/343312977.db2.gz BYLGRVZNCDWCAD-GFCCVEGCSA-N 0 0 191.274 2.175 10 0 AEAERN COC[C@@](C)(O)c1cc(C)ccc1C 53303066 343313960 /nfs/dbraw/zinc/31/39/60/343313960.db2.gz OFGFRPCXWZEEQT-GFCCVEGCSA-N 0 0 194.274 2.157 10 0 AEAERN COC[C@](C)(O)c1cc(C)ccc1C 53303069 343314012 /nfs/dbraw/zinc/31/40/12/343314012.db2.gz OFGFRPCXWZEEQT-LBPRGKRZSA-N 0 0 194.274 2.157 10 0 AEAERN COC[C@](C)(O)c1ccc(C)c(C)c1 53303598 343314040 /nfs/dbraw/zinc/31/40/40/343314040.db2.gz ZTQOADZDHBZKLA-LBPRGKRZSA-N 0 0 194.274 2.157 10 0 AEAERN COC[C@@](C)(O)c1ccc(C)c(C)c1 53303597 343314197 /nfs/dbraw/zinc/31/41/97/343314197.db2.gz ZTQOADZDHBZKLA-GFCCVEGCSA-N 0 0 194.274 2.157 10 0 AEAERN O[C@@H]1CCCC[C@@H]1C[C@@H]1CCCO1 53338653 343314276 /nfs/dbraw/zinc/31/42/76/343314276.db2.gz MLOYNPALXOLLOC-OUAUKWLOSA-N 0 0 184.279 2.107 10 0 AEAERN COC[C@@](C)(O)c1cccc(C)c1C 53328451 343314344 /nfs/dbraw/zinc/31/43/44/343314344.db2.gz KCETWJIEQPAFNS-GFCCVEGCSA-N 0 0 194.274 2.157 10 0 AEAERN CCCc1ccc2c(c1)C(=O)CO2 53331388 343314417 /nfs/dbraw/zinc/31/44/17/343314417.db2.gz TTWMDWIZRVCIOU-UHFFFAOYSA-N 0 0 176.215 2.214 10 0 AEAERN O[C@@H]1CCCC[C@H]1C[C@@H]1CCCO1 53338647 343314455 /nfs/dbraw/zinc/31/44/55/343314455.db2.gz MLOYNPALXOLLOC-GARJFASQSA-N 0 0 184.279 2.107 10 0 AEAERN COC[C@](C)(O)c1cccc(C)c1C 53328455 343314465 /nfs/dbraw/zinc/31/44/65/343314465.db2.gz KCETWJIEQPAFNS-LBPRGKRZSA-N 0 0 194.274 2.157 10 0 AEAERN O=C1CCCC[C@@H]1C[C@@H]1CCCO1 53336192 343314505 /nfs/dbraw/zinc/31/45/05/343314505.db2.gz QWCGYAAIIXDHLX-ZJUUUORDSA-N 0 0 182.263 2.315 10 0 AEAERN O=C1CCCC[C@@H]1C[C@H]1CCCO1 53336200 343314564 /nfs/dbraw/zinc/31/45/64/343314564.db2.gz QWCGYAAIIXDHLX-NXEZZACHSA-N 0 0 182.263 2.315 10 0 AEAERN O=C1CCCC[C@H]1C[C@@H]1CCCO1 53336189 343314574 /nfs/dbraw/zinc/31/45/74/343314574.db2.gz QWCGYAAIIXDHLX-UWVGGRQHSA-N 0 0 182.263 2.315 10 0 AEAERN O=C1CCCC[C@H]1C[C@H]1CCCO1 53336195 343314583 /nfs/dbraw/zinc/31/45/83/343314583.db2.gz QWCGYAAIIXDHLX-VHSXEESVSA-N 0 0 182.263 2.315 10 0 AEAERN Nc1nnc(C2CCCCCC2)o1 53714006 343315299 /nfs/dbraw/zinc/31/52/99/343315299.db2.gz HLYKZWIDUNEMGB-UHFFFAOYSA-N 0 0 181.239 2.090 10 0 AEAERN COCCc1nc2cc(C)ccc2[nH]1 53731526 343315560 /nfs/dbraw/zinc/31/55/60/343315560.db2.gz QIJUBHVCSZZOBT-UHFFFAOYSA-N 0 0 190.246 2.060 10 0 AEAERN Cc1ccc(N)cc1N(C)C(C)C 53734401 343315576 /nfs/dbraw/zinc/31/55/76/343315576.db2.gz LRVRMMZCRYJJJI-UHFFFAOYSA-N 0 0 178.279 2.422 10 0 AEAERN Cc1ccc(N)cc1N[C@@H]1C[C@H]1C 53735631 343315610 /nfs/dbraw/zinc/31/56/10/343315610.db2.gz ANHQZLJKMMDZBS-PSASIEDQSA-N 0 0 176.263 2.398 10 0 AEAERN Cc1ccc(N)cc1N[C@H]1C[C@H]1C 53735632 343315656 /nfs/dbraw/zinc/31/56/56/343315656.db2.gz ANHQZLJKMMDZBS-SCZZXKLOSA-N 0 0 176.263 2.398 10 0 AEAERN Cc1ccc(N)cc1N[C@@H]1C[C@@H]1C 53735629 343315659 /nfs/dbraw/zinc/31/56/59/343315659.db2.gz ANHQZLJKMMDZBS-WCBMZHEXSA-N 0 0 176.263 2.398 10 0 AEAERN Cc1ccc(N)cc1NC1CC1 53734516 343315673 /nfs/dbraw/zinc/31/56/73/343315673.db2.gz ZORQKZIMEGFLTA-UHFFFAOYSA-N 0 0 162.236 2.152 10 0 AEAERN Cc1ccc(N)cc1NCC1CC1 53734536 343315704 /nfs/dbraw/zinc/31/57/04/343315704.db2.gz XWFOPTHDMWKJCF-UHFFFAOYSA-N 0 0 176.263 2.399 10 0 AEAERN Cc1ccc(N)cc1N[C@H]1C[C@@H]1C 53735630 343315747 /nfs/dbraw/zinc/31/57/47/343315747.db2.gz ANHQZLJKMMDZBS-WPRPVWTQSA-N 0 0 176.263 2.398 10 0 AEAERN Cc1ccc(N)cc1NC(C)C 53734506 343315766 /nfs/dbraw/zinc/31/57/66/343315766.db2.gz KAUPZZNAWWDXPC-UHFFFAOYSA-N 0 0 164.252 2.398 10 0 AEAERN CC(C)Nc1nc(C(C)(C)C)no1 53750503 343315943 /nfs/dbraw/zinc/31/59/43/343315943.db2.gz BRBOGYZTHBTQMY-UHFFFAOYSA-N 0 0 183.255 2.187 10 0 AEAERN CC(C)Nc1nc(C(C)C)no1 53750515 343315960 /nfs/dbraw/zinc/31/59/60/343315960.db2.gz RMYBLSLGLTYFGD-UHFFFAOYSA-N 0 0 169.228 2.013 10 0 AEAERN Clc1nc(Cc2ccccc2)no1 53749958 343316011 /nfs/dbraw/zinc/31/60/11/343316011.db2.gz CTPPMIHNKOVKRZ-UHFFFAOYSA-N 0 0 194.621 2.314 10 0 AEAERN O[C@@H](C[C@H]1CCCO1)c1ccsc1 53783221 343316161 /nfs/dbraw/zinc/31/61/61/343316161.db2.gz OVOFXXNFIPZMLE-ZJUUUORDSA-N 0 0 198.287 2.351 10 0 AEAERN CCc1ccc(CC(C)=O)s1 53765724 343316176 /nfs/dbraw/zinc/31/61/76/343316176.db2.gz UTXSJKDNLDVNRO-UHFFFAOYSA-N 0 0 168.261 2.442 10 0 AEAERN O=C(CC1CCCC1)c1ncccn1 53766519 343316180 /nfs/dbraw/zinc/31/61/80/343316180.db2.gz UJUTXLNRIAQYJT-UHFFFAOYSA-N 0 0 190.246 2.240 10 0 AEAERN O[C@@H](C[C@@H]1CCCO1)c1ccsc1 53783219 343316196 /nfs/dbraw/zinc/31/61/96/343316196.db2.gz OVOFXXNFIPZMLE-UWVGGRQHSA-N 0 0 198.287 2.351 10 0 AEAERN CC(C)[C@H](O)Cc1ccsc1 53783990 343316229 /nfs/dbraw/zinc/31/62/29/343316229.db2.gz LFGRFMUSEKTIBN-SECBINFHSA-N 0 0 170.277 2.308 10 0 AEAERN CCCC[C@H](O)c1ccncc1 53783058 343316241 /nfs/dbraw/zinc/31/62/41/343316241.db2.gz AYBUYWIEKWWZQU-JTQLQIEISA-N 0 0 165.236 2.305 10 0 AEAERN O[C@@H]1CCCCC[C@@H]1c1cccnc1 53751535 343316248 /nfs/dbraw/zinc/31/62/48/343316248.db2.gz OWFUKVWBJGJFFC-VXGBXAGGSA-N 0 0 191.274 2.490 10 0 AEAERN O[C@H](C[C@@H]1CCCO1)c1ccsc1 53783218 343316251 /nfs/dbraw/zinc/31/62/51/343316251.db2.gz OVOFXXNFIPZMLE-VHSXEESVSA-N 0 0 198.287 2.351 10 0 AEAERN O[C@H]1CCCCC[C@@H]1c1cccnc1 53751532 343316359 /nfs/dbraw/zinc/31/63/59/343316359.db2.gz OWFUKVWBJGJFFC-NEPJUHHUSA-N 0 0 191.274 2.490 10 0 AEAERN O=C(Cc1cccc(F)c1F)C1CC1 53766059 343316367 /nfs/dbraw/zinc/31/63/67/343316367.db2.gz KSZMJLTZTZJDNQ-UHFFFAOYSA-N 0 0 196.196 2.486 10 0 AEAERN O[C@@H]1CCCCC[C@H]1c1cccnc1 53751534 343316375 /nfs/dbraw/zinc/31/63/75/343316375.db2.gz OWFUKVWBJGJFFC-NWDGAFQWSA-N 0 0 191.274 2.490 10 0 AEAERN O[C@H](C[C@H]1CCCO1)c1ccsc1 53783220 343316380 /nfs/dbraw/zinc/31/63/80/343316380.db2.gz OVOFXXNFIPZMLE-NXEZZACHSA-N 0 0 198.287 2.351 10 0 AEAERN CCCC[C@@H](O)c1ccncc1 53783059 343316408 /nfs/dbraw/zinc/31/64/08/343316408.db2.gz AYBUYWIEKWWZQU-SNVBAGLBSA-N 0 0 165.236 2.305 10 0 AEAERN CC(C)[C@@H](O)Cc1ccsc1 53783991 343316418 /nfs/dbraw/zinc/31/64/18/343316418.db2.gz LFGRFMUSEKTIBN-VIFPVBQESA-N 0 0 170.277 2.308 10 0 AEAERN O=C(CC1CCCC1)c1cnccn1 53766369 343316453 /nfs/dbraw/zinc/31/64/53/343316453.db2.gz QENJASCVIBBYSM-UHFFFAOYSA-N 0 0 190.246 2.240 10 0 AEAERN O[C@H](Cc1cccc(F)c1F)C1CC1 53784718 343316534 /nfs/dbraw/zinc/31/65/34/343316534.db2.gz CRGXRIJPKMVAGF-SNVBAGLBSA-N 0 0 198.212 2.278 10 0 AEAERN CC[C@@H](O)Cc1cccc(F)c1F 53784360 343316558 /nfs/dbraw/zinc/31/65/58/343316558.db2.gz VBPKLGWWDDTPAB-MRVPVSSYSA-N 0 0 186.201 2.278 10 0 AEAERN CC[C@H](O)CC1CCCC1 53784367 343316590 /nfs/dbraw/zinc/31/65/90/343316590.db2.gz QLSBJLUCSAPKHH-VIFPVBQESA-N 0 0 142.242 2.338 10 0 AEAERN O[C@H](CC1CCCC1)C1CC1 53784734 343316611 /nfs/dbraw/zinc/31/66/11/343316611.db2.gz XJIWDJIUJHRBEL-SNVBAGLBSA-N 0 0 154.253 2.338 10 0 AEAERN O[C@H](CC1CCCC1)c1cnccn1 53784969 343316619 /nfs/dbraw/zinc/31/66/19/343316619.db2.gz JFCSNMVDRSKLHF-LLVKDONJSA-N 0 0 192.262 2.090 10 0 AEAERN CC[C@@H](O)CC1CCCC1 53784368 343316620 /nfs/dbraw/zinc/31/66/20/343316620.db2.gz QLSBJLUCSAPKHH-SECBINFHSA-N 0 0 142.242 2.338 10 0 AEAERN O[C@H](Cc1cccs1)C1CC1 53784686 343316621 /nfs/dbraw/zinc/31/66/21/343316621.db2.gz HQABQPRBNNIICF-SECBINFHSA-N 0 0 168.261 2.062 10 0 AEAERN CCc1ccc(C[C@@H](C)O)s1 53784397 343316627 /nfs/dbraw/zinc/31/66/27/343316627.db2.gz UBSFHOCLKFFPHL-SSDOTTSWSA-N 0 0 170.277 2.234 10 0 AEAERN O[C@@H](CC1CCCC1)C1CC1 53784733 343316628 /nfs/dbraw/zinc/31/66/28/343316628.db2.gz XJIWDJIUJHRBEL-JTQLQIEISA-N 0 0 154.253 2.338 10 0 AEAERN O[C@@H](Cc1cccc(F)c1F)C1CC1 53784717 343316643 /nfs/dbraw/zinc/31/66/43/343316643.db2.gz CRGXRIJPKMVAGF-JTQLQIEISA-N 0 0 198.212 2.278 10 0 AEAERN O[C@@H](CC1CCCC1)c1cnccn1 53784970 343316678 /nfs/dbraw/zinc/31/66/78/343316678.db2.gz JFCSNMVDRSKLHF-NSHDSACASA-N 0 0 192.262 2.090 10 0 AEAERN CC[C@@H](O)Cc1ccsc1 53784358 343316685 /nfs/dbraw/zinc/31/66/85/343316685.db2.gz AJUWTKGZFXOZEN-MRVPVSSYSA-N 0 0 156.250 2.062 10 0 AEAERN CC[C@H](O)Cc1ccsc1 53784357 343316688 /nfs/dbraw/zinc/31/66/88/343316688.db2.gz AJUWTKGZFXOZEN-QMMMGPOBSA-N 0 0 156.250 2.062 10 0 AEAERN CC[C@H](O)Cc1cccc(F)c1F 53784359 343316692 /nfs/dbraw/zinc/31/66/92/343316692.db2.gz VBPKLGWWDDTPAB-QMMMGPOBSA-N 0 0 186.201 2.278 10 0 AEAERN NN=c1[nH]c(C2CCCC2)cs1 54079692 343317333 /nfs/dbraw/zinc/31/73/33/343317333.db2.gz PDNYTDKITBEVJY-UHFFFAOYSA-N 0 0 183.280 2.086 10 0 AEAERN C[C@H](Nc1cn[nH]c1)C1CCCC1 54078255 343317388 /nfs/dbraw/zinc/31/73/88/343317388.db2.gz NASNKBBVYBSPIQ-QMMMGPOBSA-N 0 0 179.267 2.400 10 0 AEAERN C[C@H](C1CCCC1)n1nccc1N 54081614 343317402 /nfs/dbraw/zinc/31/74/02/343317402.db2.gz BWHVTQRTUIQJRZ-MRVPVSSYSA-N 0 0 179.267 2.217 10 0 AEAERN C[C@H](Nc1cnn(C)c1)C1CCCC1 54078231 343317429 /nfs/dbraw/zinc/31/74/29/343317429.db2.gz IDEAQNWRNXGDRE-VIFPVBQESA-N 0 0 193.294 2.411 10 0 AEAERN CCn1cc(C=O)c(C2CCCC2)n1 54078103 343317585 /nfs/dbraw/zinc/31/75/85/343317585.db2.gz LVGJUAXPOIFUDR-UHFFFAOYSA-N 0 0 192.262 2.373 10 0 AEAERN Cc1sc(=O)[nH]c1-c1ccco1 54084919 343318101 /nfs/dbraw/zinc/31/81/01/343318101.db2.gz DTPLOWHYYORJBU-UHFFFAOYSA-N 0 0 181.216 2.005 10 0 AEAERN CC(C)c1ncc([C@H](C)O)s1 54160731 343319087 /nfs/dbraw/zinc/31/90/87/343319087.db2.gz QPYDBCWZKRNPQG-LURJTMIESA-N 0 0 171.265 2.320 10 0 AEAERN C[C@@H](O)c1cnc(C2CC2)s1 54160723 343319100 /nfs/dbraw/zinc/31/91/00/343319100.db2.gz BALRIMIFBQQXDG-RXMQYKEDSA-N 0 0 169.249 2.074 10 0 AEAERN CC(C)Cc1ncc([C@H](C)O)s1 54160725 343319104 /nfs/dbraw/zinc/31/91/04/343319104.db2.gz GOTJHHNIJAPWJU-ZETCQYMHSA-N 0 0 185.292 2.395 10 0 AEAERN CC(C)Cc1ncc([C@@H](C)O)s1 54160724 343319107 /nfs/dbraw/zinc/31/91/07/343319107.db2.gz GOTJHHNIJAPWJU-SSDOTTSWSA-N 0 0 185.292 2.395 10 0 AEAERN CCCc1ncc([C@@H](C)O)s1 54160811 343319138 /nfs/dbraw/zinc/31/91/38/343319138.db2.gz ZYJQKWJQGYEHFB-ZCFIWIBFSA-N 0 0 171.265 2.149 10 0 AEAERN CCCc1ncc([C@H](C)O)s1 54160812 343319165 /nfs/dbraw/zinc/31/91/65/343319165.db2.gz ZYJQKWJQGYEHFB-LURJTMIESA-N 0 0 171.265 2.149 10 0 AEAERN OC1(c2ccc(Cl)cc2F)CC1 54346286 343321593 /nfs/dbraw/zinc/32/15/93/343321593.db2.gz ATYRFIWZZYXIQM-UHFFFAOYSA-N 0 0 186.613 2.461 10 0 AEAERN OC1(c2cccc3ncccc23)CC1 54346477 343321611 /nfs/dbraw/zinc/32/16/11/343321611.db2.gz FGKFFTPBGDWRRW-UHFFFAOYSA-N 0 0 185.226 2.216 10 0 AEAERN Cc1ccccc1CCC1(O)CC1 54346469 343321625 /nfs/dbraw/zinc/32/16/25/343321625.db2.gz XHDJIGXKPWZBFU-UHFFFAOYSA-N 0 0 176.259 2.453 10 0 AEAERN COc1cc(Cl)ccc1C1(O)CC1 54346593 343321646 /nfs/dbraw/zinc/32/16/46/343321646.db2.gz XTMPZCOUZSLWOJ-UHFFFAOYSA-N 0 0 198.649 2.330 10 0 AEAERN Cc1ccc(F)c(C2(O)CC2)c1 54346530 343321652 /nfs/dbraw/zinc/32/16/52/343321652.db2.gz MCFDNSQVAYSOMM-UHFFFAOYSA-N 0 0 166.195 2.116 10 0 AEAERN COc1ccc(Cl)cc1C1(O)CC1 54346256 343321660 /nfs/dbraw/zinc/32/16/60/343321660.db2.gz BNMRNSZIFSXZKA-UHFFFAOYSA-N 0 0 198.649 2.330 10 0 AEAERN OC1(CC2CCCC2)CC1 54346773 343321672 /nfs/dbraw/zinc/32/16/72/343321672.db2.gz XICHZMRYTIIBFC-UHFFFAOYSA-N 0 0 140.226 2.092 10 0 AEAERN OC1(c2ccc3ccccc3n2)CC1 54346680 343321681 /nfs/dbraw/zinc/32/16/81/343321681.db2.gz GOWXABYQWNAORZ-UHFFFAOYSA-N 0 0 185.226 2.216 10 0 AEAERN OC1(c2ccc(F)cc2Cl)CC1 54346193 343321697 /nfs/dbraw/zinc/32/16/97/343321697.db2.gz NUKVUUGQLMEFMP-UHFFFAOYSA-N 0 0 186.613 2.461 10 0 AEAERN OC1(c2cccc(Cl)c2)CC1 54346813 343321706 /nfs/dbraw/zinc/32/17/06/343321706.db2.gz KKKBEWZDUVBFTM-UHFFFAOYSA-N 0 0 168.623 2.321 10 0 AEAERN OC1(c2ccc(Cl)s2)CC1 54346456 343321719 /nfs/dbraw/zinc/32/17/19/343321719.db2.gz DUCRGEOBXKFDOY-UHFFFAOYSA-N 0 0 174.652 2.383 10 0 AEAERN Cc1ccc(C2(O)CC2)cc1C 54346717 343321724 /nfs/dbraw/zinc/32/17/24/343321724.db2.gz UCXAXGSYHDNYSF-UHFFFAOYSA-N 0 0 162.232 2.285 10 0 AEAERN CC(C)(c1ccccc1)C1(O)CC1 54346269 343321726 /nfs/dbraw/zinc/32/17/26/343321726.db2.gz ZMOMFUGABUQMMU-UHFFFAOYSA-N 0 0 176.259 2.489 10 0 AEAERN Cc1cc(C)cc(C2(O)CC2)c1 54346181 343321730 /nfs/dbraw/zinc/32/17/30/343321730.db2.gz RKWZANPRTLQJTC-UHFFFAOYSA-N 0 0 162.232 2.285 10 0 AEAERN OC1(c2cc3c(s2)CCC3)CC1 54346260 343321769 /nfs/dbraw/zinc/32/17/69/343321769.db2.gz FKTJJCUHPFVNHD-UHFFFAOYSA-N 0 0 180.272 2.218 10 0 AEAERN CCc1ccc(C2(O)CC2)s1 54346598 343321785 /nfs/dbraw/zinc/32/17/85/343321785.db2.gz HMMYSDYNUPOSAA-UHFFFAOYSA-N 0 0 168.261 2.292 10 0 AEAERN Cc1ccc(CC2(O)CC2)cc1 54346420 343321794 /nfs/dbraw/zinc/32/17/94/343321794.db2.gz MTQZWFBZDXCYEV-UHFFFAOYSA-N 0 0 162.232 2.062 10 0 AEAERN Cc1ccc(C2(O)CC2)c(C)c1 54346800 343321797 /nfs/dbraw/zinc/32/17/97/343321797.db2.gz BJMZZUYIDJKSET-UHFFFAOYSA-N 0 0 162.232 2.285 10 0 AEAERN OC1(CC2CCCCC2)CC1 54346338 343321821 /nfs/dbraw/zinc/32/18/21/343321821.db2.gz SAOUXADJZZTNQG-UHFFFAOYSA-N 0 0 154.253 2.482 10 0 AEAERN CCc1ccc(C2(O)CC2)cc1 54346648 343321826 /nfs/dbraw/zinc/32/18/26/343321826.db2.gz KICLULANYAXNEA-UHFFFAOYSA-N 0 0 162.232 2.230 10 0 AEAERN OC1(c2cc(Cl)ccc2F)CC1 54346631 343321829 /nfs/dbraw/zinc/32/18/29/343321829.db2.gz SBVCLVSFHWNWBL-UHFFFAOYSA-N 0 0 186.613 2.461 10 0 AEAERN OC1(c2ccnc3ccccc23)CC1 54346472 343321832 /nfs/dbraw/zinc/32/18/32/343321832.db2.gz NICKEUXEAGMKEZ-UHFFFAOYSA-N 0 0 185.226 2.216 10 0 AEAERN Cc1ccsc1C1(O)CC1 54346293 343321837 /nfs/dbraw/zinc/32/18/37/343321837.db2.gz ITTVUCQZCDJQNL-UHFFFAOYSA-N 0 0 154.234 2.038 10 0 AEAERN Cc1ccc(CCC2(O)CC2)cc1 54346523 343321851 /nfs/dbraw/zinc/32/18/51/343321851.db2.gz HKLCAEQINMAOBJ-UHFFFAOYSA-N 0 0 176.259 2.453 10 0 AEAERN Cc1ccccc1CC1(O)CC1 54346275 343321852 /nfs/dbraw/zinc/32/18/52/343321852.db2.gz NJXSLSITOYMROM-UHFFFAOYSA-N 0 0 162.232 2.062 10 0 AEAERN Cc1cccc(CC2(O)CC2)c1 54346539 343321854 /nfs/dbraw/zinc/32/18/54/343321854.db2.gz LBEVLBZQJTURID-UHFFFAOYSA-N 0 0 162.232 2.062 10 0 AEAERN CCc1nc(C(C)(C)CC)n[nH]1 54403655 343323063 /nfs/dbraw/zinc/32/30/63/343323063.db2.gz OBVSOWMEZAEART-UHFFFAOYSA-N 0 0 167.256 2.055 10 0 AEAERN CCC(C)(C)c1noc(N)c1C 54403578 343323132 /nfs/dbraw/zinc/32/31/32/343323132.db2.gz KXMXTKIRKSXXSI-UHFFFAOYSA-N 0 0 168.240 2.253 10 0 AEAERN Cc1ccc(C)c(-n2ccc(N)n2)c1 54404762 343323288 /nfs/dbraw/zinc/32/32/88/343323288.db2.gz LMBLOMVRWYKJPR-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN CCc1cc(N)nn1C1CCCC1 54404825 343323441 /nfs/dbraw/zinc/32/34/41/343323441.db2.gz UUPWTWPJUZZEBK-UHFFFAOYSA-N 0 0 179.267 2.143 10 0 AEAERN Cc1cccc(-n2nc(N)cc2C)c1 54404733 343323448 /nfs/dbraw/zinc/32/34/48/343323448.db2.gz BINPGNLHHAFEBD-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN CCCCn1nc(N)c2ccccc21 54433279 343323788 /nfs/dbraw/zinc/32/37/88/343323788.db2.gz GNGBCWRFGWCBIT-UHFFFAOYSA-N 0 0 189.262 2.419 10 0 AEAERN Cc1cccc(-n2cc(C)c(N)n2)c1 54404853 343323832 /nfs/dbraw/zinc/32/38/32/343323832.db2.gz JHBZHTUNMAOKAH-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN CC(C)Cn1nc(N)c2ccccc21 54433285 343323902 /nfs/dbraw/zinc/32/39/02/343323902.db2.gz FVSQOJMWCZKAFA-UHFFFAOYSA-N 0 0 189.262 2.275 10 0 AEAERN Cc1ccc(-n2cc(C)c(N)n2)cc1 54404850 343323921 /nfs/dbraw/zinc/32/39/21/343323921.db2.gz PRFBEQMHYRKIBT-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN CC(C)Nc1nc(-c2ccco2)no1 54456664 343324074 /nfs/dbraw/zinc/32/40/74/343324074.db2.gz PCKYAFBFGQXNFA-UHFFFAOYSA-N 0 0 193.206 2.150 10 0 AEAERN O[C@H](CC1CCOCC1)c1ccco1 54446151 343324184 /nfs/dbraw/zinc/32/41/84/343324184.db2.gz AURJPOZQOQEZFK-SNVBAGLBSA-N 0 0 196.246 2.130 10 0 AEAERN C[C@@H](O)c1cnc(-c2ccco2)s1 54456614 343324323 /nfs/dbraw/zinc/32/43/23/343324323.db2.gz XGUMAAGGHBVKGJ-ZCFIWIBFSA-N 0 0 195.243 2.456 10 0 AEAERN Cc1ccc(NCc2ncccn2)cc1 54459039 343324374 /nfs/dbraw/zinc/32/43/74/343324374.db2.gz NRYFFHDWKWVTLZ-UHFFFAOYSA-N 0 0 199.257 2.397 10 0 AEAERN O=C(C[C@@H]1CCCO1)c1ccco1 54445554 343324395 /nfs/dbraw/zinc/32/43/95/343324395.db2.gz OSGGKGUTFYKXJA-QMMMGPOBSA-N 0 0 180.203 2.031 10 0 AEAERN CC[C@H](C)CNc1ccc(C)nn1 54474029 343324482 /nfs/dbraw/zinc/32/44/82/343324482.db2.gz WAJQUGKSLVARLF-QMMMGPOBSA-N 0 0 179.267 2.243 10 0 AEAERN CC[C@H](C)CNc1ccc(N)nc1 54466728 343324546 /nfs/dbraw/zinc/32/45/46/343324546.db2.gz HFYLABNMPKLIAK-QMMMGPOBSA-N 0 0 179.267 2.122 10 0 AEAERN CC[C@@H](C)Cn1c(C)n[nH]c1=S 54475213 343324650 /nfs/dbraw/zinc/32/46/50/343324650.db2.gz RFXJCGRDKVATSF-ZCFIWIBFSA-N 0 0 185.296 2.295 10 0 AEAERN CC[C@H](C)Cn1c(C)n[nH]c1=S 54475216 343324865 /nfs/dbraw/zinc/32/48/65/343324865.db2.gz RFXJCGRDKVATSF-LURJTMIESA-N 0 0 185.296 2.295 10 0 AEAERN CSCc1ncc([C@H](C)O)s1 54497103 343324921 /nfs/dbraw/zinc/32/49/21/343324921.db2.gz FPWOCZADOIIDHF-YFKPBYRVSA-N 0 0 189.305 2.059 10 0 AEAERN CCCCC(=O)CSC 54494330 343324996 /nfs/dbraw/zinc/32/49/96/343324996.db2.gz ZTNZFQVGYMSYIQ-UHFFFAOYSA-N 0 0 146.255 2.109 10 0 AEAERN CSC[C@H](O)C1CCCCC1 54494591 343325049 /nfs/dbraw/zinc/32/50/49/343325049.db2.gz NTQGMCXCKNCXHV-VIFPVBQESA-N 0 0 174.309 2.291 10 0 AEAERN CSCC(=O)C1CCCC1 54494475 343325056 /nfs/dbraw/zinc/32/50/56/343325056.db2.gz KOKHDUQVTSCQMN-UHFFFAOYSA-N 0 0 158.266 2.109 10 0 AEAERN CSC[C@@H](O)C1CCCCC1 54494593 343325135 /nfs/dbraw/zinc/32/51/35/343325135.db2.gz NTQGMCXCKNCXHV-SECBINFHSA-N 0 0 174.309 2.291 10 0 AEAERN CSCc1ncc(C(C)=O)s1 54496935 343325216 /nfs/dbraw/zinc/32/52/16/343325216.db2.gz NDZBIHWOWQSMMC-UHFFFAOYSA-N 0 0 187.289 2.209 10 0 AEAERN CC(C)[C@@H]1CCc2[nH]c(=O)sc2C1 54557213 343325705 /nfs/dbraw/zinc/32/57/05/343325705.db2.gz HHXQOLPLOGUQPN-SSDOTTSWSA-N 0 0 197.303 2.197 10 0 AEAERN CC(C)[C@H]1CCc2[nH]c(=O)sc2C1 54557214 343325852 /nfs/dbraw/zinc/32/58/52/343325852.db2.gz HHXQOLPLOGUQPN-ZETCQYMHSA-N 0 0 197.303 2.197 10 0 AEAERN CC(C)(C)C1CCC(CNN)CC1 54667859 343327443 /nfs/dbraw/zinc/32/74/43/343327443.db2.gz SOACHWZEBNIIGY-UHFFFAOYSA-N 0 0 184.327 2.302 10 0 AEAERN C[C@H]1C[C@H]1Nc1ncccc1F 54700933 343327808 /nfs/dbraw/zinc/32/78/08/343327808.db2.gz CYIQLTRSGGADLO-POYBYMJQSA-N 0 0 166.199 2.041 10 0 AEAERN CC1(C)C[C@H]1Nc1ncccc1F 54700884 343327873 /nfs/dbraw/zinc/32/78/73/343327873.db2.gz SLZAARYQIHLAML-MRVPVSSYSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@H](O)c1cnn(C2CCCCC2)c1 54724459 343328123 /nfs/dbraw/zinc/32/81/23/343328123.db2.gz QOQJIFFUMSJILB-VIFPVBQESA-N 0 0 194.278 2.442 10 0 AEAERN C[C@H](O)c1cnn(CC2CCCC2)c1 54724669 343328130 /nfs/dbraw/zinc/32/81/30/343328130.db2.gz BWCKLNCVGMYDIN-VIFPVBQESA-N 0 0 194.278 2.127 10 0 AEAERN O=C1CCCc2c(F)ccc(F)c21 54741776 343328264 /nfs/dbraw/zinc/32/82/64/343328264.db2.gz OMSOZMDPJCEEDR-UHFFFAOYSA-N 0 0 182.169 2.484 10 0 AEAERN C[C@@H](O)c1cnn(CC2CCCC2)c1 54724674 343328266 /nfs/dbraw/zinc/32/82/66/343328266.db2.gz BWCKLNCVGMYDIN-SECBINFHSA-N 0 0 194.278 2.127 10 0 AEAERN O=Cc1ccnc(C2CCCCC2)n1 54790999 343329212 /nfs/dbraw/zinc/32/92/12/343329212.db2.gz ZVBJQLKUTKHFEE-UHFFFAOYSA-N 0 0 190.246 2.337 10 0 AEAERN O=Cc1ccnc(-c2ccsc2)n1 54791023 343329215 /nfs/dbraw/zinc/32/92/15/343329215.db2.gz XYZRWIBSURLYTR-UHFFFAOYSA-N 0 0 190.227 2.018 10 0 AEAERN Cc1cccc(-c2nccc(C=O)n2)c1 54790998 343329312 /nfs/dbraw/zinc/32/93/12/343329312.db2.gz QBBJRKRYDKOOEF-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN O=Cc1ccnc(-c2cccs2)n1 54791003 343329348 /nfs/dbraw/zinc/32/93/48/343329348.db2.gz UQUCDPXCTSPZRQ-UHFFFAOYSA-N 0 0 190.227 2.018 10 0 AEAERN OCc1ccnc(C2CCCCC2)n1 54793030 343329356 /nfs/dbraw/zinc/32/93/56/343329356.db2.gz JZEDFCSGCQXPFY-UHFFFAOYSA-N 0 0 192.262 2.017 10 0 AEAERN Cc1cc(N)nnc1-c1cccs1 54931019 343331157 /nfs/dbraw/zinc/33/11/57/343331157.db2.gz ZEEGDYFIWXOXJV-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN CCCc1nnc(NC)cc1CC 54931038 343331257 /nfs/dbraw/zinc/33/12/57/343331257.db2.gz SBDPHIIBWGUYKN-UHFFFAOYSA-N 0 0 179.267 2.033 10 0 AEAERN CC[C@H](C)c1ccc(NC)nn1 54931030 343331336 /nfs/dbraw/zinc/33/13/36/343331336.db2.gz LKUSGEBDXWHZJL-ZETCQYMHSA-N 0 0 165.240 2.032 10 0 AEAERN CC[C@@H]1CCc2nnc(NC)cc2C1 54931067 343331339 /nfs/dbraw/zinc/33/13/39/343331339.db2.gz MPUJBNIYHVCDSW-MRVPVSSYSA-N 0 0 191.278 2.033 10 0 AEAERN Cc1nccc(N[C@@H](C)C(C)C)n1 54935771 343331886 /nfs/dbraw/zinc/33/18/86/343331886.db2.gz UTGKFINXWYCVEM-QMMMGPOBSA-N 0 0 179.267 2.241 10 0 AEAERN CC[C@H](C)CNc1ccnc(C)n1 54936615 343332286 /nfs/dbraw/zinc/33/22/86/343332286.db2.gz WVCOOJISZNZTQI-QMMMGPOBSA-N 0 0 179.267 2.243 10 0 AEAERN Cc1nc(N(C)C(C)C)sc1C=O 54966754 343332538 /nfs/dbraw/zinc/33/25/38/343332538.db2.gz NKQDZWKSVXWMQW-UHFFFAOYSA-N 0 0 198.291 2.109 10 0 AEAERN CC(=O)c1cnc(C(C)C)nc1C 54962411 343332709 /nfs/dbraw/zinc/33/27/09/343332709.db2.gz KCCRQXGOKSVFCD-UHFFFAOYSA-N 0 0 178.235 2.111 10 0 AEAERN Cc1nc(CC(C)C)ncc1[C@@H](C)O 54963296 343332712 /nfs/dbraw/zinc/33/27/12/343332712.db2.gz MDHNSUREQJTPQK-SECBINFHSA-N 0 0 194.278 2.037 10 0 AEAERN CC(=O)c1cnc(CC(C)C)nc1C 54962410 343332752 /nfs/dbraw/zinc/33/27/52/343332752.db2.gz XYQSBTRPMNOODP-UHFFFAOYSA-N 0 0 192.262 2.186 10 0 AEAERN CC[C@@](C)(O)CNc1ccccc1 55032087 343333264 /nfs/dbraw/zinc/33/32/64/343333264.db2.gz XPBXOXFPGNWIIZ-LLVKDONJSA-N 0 0 179.263 2.260 10 0 AEAERN CC[C@](C)(O)CNc1ccccc1 55032084 343333496 /nfs/dbraw/zinc/33/34/96/343333496.db2.gz XPBXOXFPGNWIIZ-NSHDSACASA-N 0 0 179.263 2.260 10 0 AEAERN CCC(CC)n1ccnc1 59597552 343346057 /nfs/dbraw/zinc/34/60/57/343346057.db2.gz FIWJUOJDXBGMJK-UHFFFAOYSA-N 0 0 138.214 2.244 10 0 AEAERN COC[C@@](C)(O)c1ccc(C)cc1C 55235459 343335159 /nfs/dbraw/zinc/33/51/59/343335159.db2.gz WIWAWZRDKSLZDZ-GFCCVEGCSA-N 0 0 194.274 2.157 10 0 AEAERN Cc1csc(C[C@@H](O)C(C)C)n1 55267183 343335180 /nfs/dbraw/zinc/33/51/80/343335180.db2.gz QPMLGGSDFPCDNF-MRVPVSSYSA-N 0 0 185.292 2.011 10 0 AEAERN CC(C)(O)c1cc(F)ccc1F 55242515 343335182 /nfs/dbraw/zinc/33/51/82/343335182.db2.gz MLYKCAQPCUOODC-UHFFFAOYSA-N 0 0 172.174 2.192 10 0 AEAERN CC(C)CSCC(=O)OC(C)C 55278859 343335234 /nfs/dbraw/zinc/33/52/34/343335234.db2.gz DZWSACBVRNZDSE-UHFFFAOYSA-N 0 0 190.308 2.327 10 0 AEAERN Cc1csc(C[C@@H](O)C(C)(C)C)n1 55266936 343335267 /nfs/dbraw/zinc/33/52/67/343335267.db2.gz DMUXLIWPMKQDGK-MRVPVSSYSA-N 0 0 199.319 2.401 10 0 AEAERN Cc1csc(C[C@H](O)C(C)C)n1 55267182 343335341 /nfs/dbraw/zinc/33/53/41/343335341.db2.gz QPMLGGSDFPCDNF-QMMMGPOBSA-N 0 0 185.292 2.011 10 0 AEAERN Cc1csc(C[C@H](O)C(C)(C)C)n1 55266934 343335359 /nfs/dbraw/zinc/33/53/59/343335359.db2.gz DMUXLIWPMKQDGK-QMMMGPOBSA-N 0 0 199.319 2.401 10 0 AEAERN Cc1nc(C[C@H](O)C(C)C)cs1 55294469 343335368 /nfs/dbraw/zinc/33/53/68/343335368.db2.gz OQNKLCPPFKNTSM-VIFPVBQESA-N 0 0 185.292 2.011 10 0 AEAERN Cc1nc(C[C@@H](O)C(C)C)cs1 55294470 343335686 /nfs/dbraw/zinc/33/56/86/343335686.db2.gz OQNKLCPPFKNTSM-SECBINFHSA-N 0 0 185.292 2.011 10 0 AEAERN Cc1cc(N)ccc1N(C)C(C)C 57381058 343336910 /nfs/dbraw/zinc/33/69/10/343336910.db2.gz DLILQXGLJPSDEN-UHFFFAOYSA-N 0 0 178.279 2.422 10 0 AEAERN Cc1cc(N)ccc1N(C)C1CC1 57418485 343337123 /nfs/dbraw/zinc/33/71/23/343337123.db2.gz VZAHEAUPLKZXCA-UHFFFAOYSA-N 0 0 176.263 2.176 10 0 AEAERN Cc1cc(N(C)C2CC2)ccc1N 57454394 343337695 /nfs/dbraw/zinc/33/76/95/343337695.db2.gz SECUJQJKROZMOZ-UHFFFAOYSA-N 0 0 176.263 2.176 10 0 AEAERN C[C@H]1Cc2c(Cl)cccc2C(=O)N1 57489766 343337797 /nfs/dbraw/zinc/33/77/97/343337797.db2.gz LANOHVUMCHACPW-LURJTMIESA-N 0 0 195.649 2.014 10 0 AEAERN Cc1cc(N(C)C(C)C)ccc1N 57454344 343337808 /nfs/dbraw/zinc/33/78/08/343337808.db2.gz LYZABXVAVHFDNV-UHFFFAOYSA-N 0 0 178.279 2.422 10 0 AEAERN Cc1cnc2[nH]c(C3CC3)nc2c1 57765203 343338244 /nfs/dbraw/zinc/33/82/44/343338244.db2.gz QYUITCKBKVLMIM-UHFFFAOYSA-N 0 0 173.219 2.144 10 0 AEAERN Cc1cnc2[nH]c(C(C)C)nc2c1 57765195 343338274 /nfs/dbraw/zinc/33/82/74/343338274.db2.gz KNFIYKHGOBLOLH-UHFFFAOYSA-N 0 0 175.235 2.390 10 0 AEAERN CC[C@@H]1CNc2cc(F)ccc2O1 58235121 343338767 /nfs/dbraw/zinc/33/87/67/343338767.db2.gz PPBVZZMJCWORMI-MRVPVSSYSA-N 0 0 181.210 2.409 10 0 AEAERN CC(C)(O)Cc1ccc2c(c1)CCC2 58521310 343340264 /nfs/dbraw/zinc/34/02/64/343340264.db2.gz WNHYLKXPJHNBGY-UHFFFAOYSA-N 0 0 190.286 2.489 10 0 AEAERN C[C@H](CCCO)Nc1ccc(F)cc1 58826831 343341399 /nfs/dbraw/zinc/34/13/99/343341399.db2.gz BXMUGNCCZJBYLM-SECBINFHSA-N 0 0 197.253 2.399 10 0 AEAERN C[C@H](CCCO)Nc1ccccc1F 58826850 343341414 /nfs/dbraw/zinc/34/14/14/343341414.db2.gz MZPCOOFDAVYAOG-SECBINFHSA-N 0 0 197.253 2.399 10 0 AEAERN C[C@H](O)c1ccc(O)c(Cl)c1 58826128 343341568 /nfs/dbraw/zinc/34/15/68/343341568.db2.gz CJNDZDPZYNNXSP-YFKPBYRVSA-N 0 0 172.611 2.099 10 0 AEAERN CCC[C@H](O)c1cccc(N)c1 59078909 343341704 /nfs/dbraw/zinc/34/17/04/343341704.db2.gz YPCIQWDODRMYAD-JTQLQIEISA-N 0 0 165.236 2.102 10 0 AEAERN COc1cc(C)ccc1C(C)(C)O 59025740 343341738 /nfs/dbraw/zinc/34/17/38/343341738.db2.gz VAAMUBZHTITKLQ-UHFFFAOYSA-N 0 0 180.247 2.231 10 0 AEAERN CCC[C@@H](O)c1cccc(N)c1 59078910 343341829 /nfs/dbraw/zinc/34/18/29/343341829.db2.gz YPCIQWDODRMYAD-SNVBAGLBSA-N 0 0 165.236 2.102 10 0 AEAERN O=Cc1cc2cc(O)ccc2cc1O 59044943 343341885 /nfs/dbraw/zinc/34/18/85/343341885.db2.gz NBILPKRGYHSDRI-UHFFFAOYSA-N 0 0 188.182 2.064 10 0 AEAERN C=CC(=O)OCc1ccccc1C 59131225 343342133 /nfs/dbraw/zinc/34/21/33/343342133.db2.gz XQGNVGAVZKVCBE-UHFFFAOYSA-N 0 0 176.215 2.224 10 0 AEAERN CCC(=O)CC1(C)CC1 59144220 343342250 /nfs/dbraw/zinc/34/22/50/343342250.db2.gz KJQLDBNGJFWSNM-UHFFFAOYSA-N 0 0 126.199 2.156 10 0 AEAERN CC(C)[C@H]1CN1C(=O)OC(C)(C)C 59124776 343342253 /nfs/dbraw/zinc/34/22/53/343342253.db2.gz FZMURXSIJKYEIA-RZZZFEHKSA-N 0 0 185.267 2.262 10 0 AEAERN CCOc1cc(N=O)ccc1O 59179134 343342665 /nfs/dbraw/zinc/34/26/65/343342665.db2.gz QNKIKQWZHHJVEM-UHFFFAOYSA-N 0 0 167.164 2.189 10 0 AEAERN CCc1c(N)cccc1Cl 59210623 343342881 /nfs/dbraw/zinc/34/28/81/343342881.db2.gz OMZRDBSLAGVDMI-UHFFFAOYSA-N 0 0 155.628 2.485 10 0 AEAERN Cc1cccc(C)c1C 59213274 343342907 /nfs/dbraw/zinc/34/29/07/343342907.db2.gz GKWLFCPTCGGNOA-UHFFFAOYSA-N 0 0 119.187 2.486 10 0 AEAERN OC1(/C=C/c2ccccc2)CC1 59267966 343343602 /nfs/dbraw/zinc/34/36/02/343343602.db2.gz HKILSJRMJNQPHM-VOTSOKGWSA-N 0 0 160.216 2.225 10 0 AEAERN CC(C)Nc1ccc(C=O)cc1 59314949 343343678 /nfs/dbraw/zinc/34/36/78/343343678.db2.gz FMWJFHMFGDMYAB-UHFFFAOYSA-N 0 0 163.220 2.319 10 0 AEAERN C[C@@H]1C=C[C@H]2CC[C@@H]12 59353028 343344056 /nfs/dbraw/zinc/34/40/56/343344056.db2.gz SGXKBTMHTRDCSI-CSMHCCOUSA-N 0 0 108.184 2.219 10 0 AEAERN Cc1c(C=O)oc2cccc(O)c12 59362798 343344274 /nfs/dbraw/zinc/34/42/74/343344274.db2.gz IPHPAQQQTLUOSC-UHFFFAOYSA-N 0 0 176.171 2.259 10 0 AEAERN CCC(=O)c1ccc2c(c1)OCC2 59427642 343344742 /nfs/dbraw/zinc/34/47/42/343344742.db2.gz PCQAADLLOISDCX-UHFFFAOYSA-N 0 0 176.215 2.214 10 0 AEAERN CC[C@H](C)Oc1cccnc1 59432177 343344750 /nfs/dbraw/zinc/34/47/50/343344750.db2.gz WSOSXINAOWMKHP-QMMMGPOBSA-N 0 0 151.209 2.259 10 0 AEAERN C=CC(=O)OCc1cccc(C)c1 59439289 343344797 /nfs/dbraw/zinc/34/47/97/343344797.db2.gz BZAYKVMWPSJOJW-UHFFFAOYSA-N 0 0 176.215 2.224 10 0 AEAERN CC[C@@H](C)Oc1cccnc1 59432175 343344801 /nfs/dbraw/zinc/34/48/01/343344801.db2.gz WSOSXINAOWMKHP-MRVPVSSYSA-N 0 0 151.209 2.259 10 0 AEAERN Cc1ccc(C)cc1 59436423 343344808 /nfs/dbraw/zinc/34/48/08/343344808.db2.gz BMUCAACCJYOMTM-UHFFFAOYSA-N 0 0 105.160 2.177 10 0 AEAERN Cc1cc(-n2cccc2)ccc1O 59434098 343344840 /nfs/dbraw/zinc/34/48/40/343344840.db2.gz CLZUIBUMTHXJPD-UHFFFAOYSA-N 0 0 173.215 2.491 10 0 AEAERN CC(C)(C)OC(=O)N1CCCCC1 59447976 343345042 /nfs/dbraw/zinc/34/50/42/343345042.db2.gz FADNQAKPFUQUIG-UHFFFAOYSA-N 0 0 184.259 2.222 10 0 AEAERN CCCc1ccccc1 59447719 343345045 /nfs/dbraw/zinc/34/50/45/343345045.db2.gz WBCLEGNLZNNUBH-UHFFFAOYSA-N 0 0 119.187 2.453 10 0 AEAERN COC[C@@H](C)Nc1cc(C)ccc1N 59539065 343345351 /nfs/dbraw/zinc/34/53/51/343345351.db2.gz QNQOIIYYMKLHNA-SECBINFHSA-N 0 0 194.278 2.024 10 0 AEAERN COC(=O)Cc1ccc(Cl)cc1C 59508977 343345403 /nfs/dbraw/zinc/34/54/03/343345403.db2.gz FGSSTSLMXGUCAW-UHFFFAOYSA-N 0 0 198.649 2.364 10 0 AEAERN Cc1cc2ccc(N)cc2o1 59607991 343346118 /nfs/dbraw/zinc/34/61/18/343346118.db2.gz NSUKUHMKEFMMKG-UHFFFAOYSA-N 0 0 147.177 2.323 10 0 AEAERN CCOCc1ccccc1C=O 59622773 343346428 /nfs/dbraw/zinc/34/64/28/343346428.db2.gz ORFMUMKOCXSUCB-UHFFFAOYSA-N 0 0 164.204 2.036 10 0 AEAERN Cc1c(N)cccc1OC(F)(F)F 59628000 343346480 /nfs/dbraw/zinc/34/64/80/343346480.db2.gz ZWBPDLJHVSDEJD-UHFFFAOYSA-N 0 0 191.152 2.476 10 0 AEAERN Cc1cccc(Cl)c1OCCO 59670828 343346792 /nfs/dbraw/zinc/34/67/92/343346792.db2.gz FCZXMAPGISKNAG-UHFFFAOYSA-N 0 0 186.638 2.020 10 0 AEAERN CCSc1nnc(C(C)C)[nH]1 59683761 343346806 /nfs/dbraw/zinc/34/68/06/343346806.db2.gz FAEDJUKUEKCCBV-UHFFFAOYSA-N 0 0 171.269 2.040 10 0 AEAERN COc1ccc(C)c2[nH]cc(C=O)c12 59731208 343347048 /nfs/dbraw/zinc/34/70/48/343347048.db2.gz KNHSVOSNOHRBEZ-UHFFFAOYSA-N 0 0 189.214 2.297 10 0 AEAERN CC[C@@H]1CCC[C@H](CO)C1 59711121 343347142 /nfs/dbraw/zinc/34/71/42/343347142.db2.gz OBCVXHDACNJTJR-BDAKNGLRSA-N 0 0 142.242 2.195 10 0 AEAERN COc1cc(F)c(Cl)c(OC)c1 59712562 343347152 /nfs/dbraw/zinc/34/71/52/343347152.db2.gz UEMGHBKATUVUQB-UHFFFAOYSA-N 0 0 190.601 2.496 10 0 AEAERN CC[C@H]1CCC[C@@H](CO)C1 59711124 343347166 /nfs/dbraw/zinc/34/71/66/343347166.db2.gz OBCVXHDACNJTJR-DTWKUNHWSA-N 0 0 142.242 2.195 10 0 AEAERN OCc1c[nH]c2cccc(Cl)c12 59731618 343347182 /nfs/dbraw/zinc/34/71/82/343347182.db2.gz XHUUKFZCQKBUSG-UHFFFAOYSA-N 0 0 181.622 2.314 10 0 AEAERN CC[C@@H]1CCC[C@@H](CO)C1 59711123 343347188 /nfs/dbraw/zinc/34/71/88/343347188.db2.gz OBCVXHDACNJTJR-RKDXNWHRSA-N 0 0 142.242 2.195 10 0 AEAERN CC[C@H]1CCC[C@H](CO)C1 59711122 343347266 /nfs/dbraw/zinc/34/72/66/343347266.db2.gz OBCVXHDACNJTJR-IUCAKERBSA-N 0 0 142.242 2.195 10 0 AEAERN CC[C@H]1CCCC[C@H](O)C1 59787883 343347467 /nfs/dbraw/zinc/34/74/67/343347467.db2.gz QSYFAQWAJUSDMD-IUCAKERBSA-N 0 0 142.242 2.338 10 0 AEAERN CC[C@H](C)[C@H]1CC[C@H](O)C1 59787904 343347527 /nfs/dbraw/zinc/34/75/27/343347527.db2.gz JUHYKZLTQKVCAP-CIUDSAMLSA-N 0 0 142.242 2.194 10 0 AEAERN O=C1CC[C@H](Oc2ccccc2F)C1 59739806 343347542 /nfs/dbraw/zinc/34/75/42/343347542.db2.gz IGFXXEAGXCIIMF-VIFPVBQESA-N 0 0 194.205 2.326 10 0 AEAERN O=C1CC[C@@H](Oc2ccccc2F)C1 59739803 343347557 /nfs/dbraw/zinc/34/75/57/343347557.db2.gz IGFXXEAGXCIIMF-SECBINFHSA-N 0 0 194.205 2.326 10 0 AEAERN CC[C@@H]1CCCC[C@H](O)C1 59787878 343347579 /nfs/dbraw/zinc/34/75/79/343347579.db2.gz QSYFAQWAJUSDMD-BDAKNGLRSA-N 0 0 142.242 2.338 10 0 AEAERN CC[C@H]1CCCC[C@@H](O)C1 59787888 343347582 /nfs/dbraw/zinc/34/75/82/343347582.db2.gz QSYFAQWAJUSDMD-DTWKUNHWSA-N 0 0 142.242 2.338 10 0 AEAERN CC[C@H](C)[C@@H]1CC[C@H](O)C1 59787899 343347626 /nfs/dbraw/zinc/34/76/26/343347626.db2.gz JUHYKZLTQKVCAP-YIZRAAEISA-N 0 0 142.242 2.194 10 0 AEAERN Cc1ccc2c(c1)OCCCN2 59787703 343347661 /nfs/dbraw/zinc/34/76/61/343347661.db2.gz VHODMYFGMCTMHQ-UHFFFAOYSA-N 0 0 163.220 2.189 10 0 AEAERN CC[C@@H]1CCCC[C@@H](O)C1 59787885 343347701 /nfs/dbraw/zinc/34/77/01/343347701.db2.gz QSYFAQWAJUSDMD-RKDXNWHRSA-N 0 0 142.242 2.338 10 0 AEAERN Cc1c(N)ccc(N)c1C(F)(F)F 59829100 343347861 /nfs/dbraw/zinc/34/78/61/343347861.db2.gz PMQOTTHVWCNHEW-UHFFFAOYSA-N 0 0 190.168 2.178 10 0 AEAERN CC[C@H](C=O)ONc1ccccc1 59809557 343348018 /nfs/dbraw/zinc/34/80/18/343348018.db2.gz UOTXPTUXYFDTMI-SNVBAGLBSA-N 0 0 179.219 2.008 10 0 AEAERN c1ccc2c(c1)CC1(CC1)N2 59847788 343348147 /nfs/dbraw/zinc/34/81/47/343348147.db2.gz ZQMSPHDTLDAPAF-UHFFFAOYSA-N 0 0 145.205 2.187 10 0 AEAERN CCc1cc(C=O)cc(C)c1O 59868776 343348236 /nfs/dbraw/zinc/34/82/36/343348236.db2.gz NOJRKPAAIZFFQR-UHFFFAOYSA-N 0 0 164.204 2.076 10 0 AEAERN CCC[C@@H]([NH3+])c1ccccc1C(=O)[O-] 59918511 343348592 /nfs/dbraw/zinc/34/85/92/343348592.db2.gz CLEZZCJLCXOPEY-SNVBAGLBSA-N 0 0 193.246 2.185 10 0 AEAERN CCC[C@H]([NH3+])c1ccccc1C(=O)[O-] 59918509 343348599 /nfs/dbraw/zinc/34/85/99/343348599.db2.gz CLEZZCJLCXOPEY-JTQLQIEISA-N 0 0 193.246 2.185 10 0 AEAERN CNC(=O)/C=C/c1cccc(Cl)c1 59948533 343349181 /nfs/dbraw/zinc/34/91/81/343349181.db2.gz WLDLUGXUGDYTOM-AATRIKPKSA-N 0 0 195.649 2.099 10 0 AEAERN CCc1ccccc1C 59978262 343349720 /nfs/dbraw/zinc/34/97/20/343349720.db2.gz YXQZOHSVFKHIQB-UHFFFAOYSA-N 0 0 119.187 2.372 10 0 AEAERN CC(=O)Nc1cc(C(C)(C)C)ccn1 60023638 343349807 /nfs/dbraw/zinc/34/98/07/343349807.db2.gz XGLCYBGAKUNQGU-UHFFFAOYSA-N 0 0 192.262 2.338 10 0 AEAERN c1ccc(CNN2CCCCC2)cc1 60041671 343350001 /nfs/dbraw/zinc/35/00/01/343350001.db2.gz QACOELYINOMVBY-UHFFFAOYSA-N 0 0 190.290 2.177 10 0 AEAERN CCOCCCOc1ccccc1 60049658 343350225 /nfs/dbraw/zinc/35/02/25/343350225.db2.gz FXYVHBSUMOONFM-UHFFFAOYSA-N 0 0 180.247 2.492 10 0 AEAERN Cc1cc2onc(C)c2cc1N 60084120 343350518 /nfs/dbraw/zinc/35/05/18/343350518.db2.gz JWFRUXZBKPYQJN-UHFFFAOYSA-N 0 0 162.192 2.027 10 0 AEAERN CC(C)(C)c1csc(NC=O)n1 60084868 343350646 /nfs/dbraw/zinc/35/06/46/343350646.db2.gz INZUKLCBPHMRFG-UHFFFAOYSA-N 0 0 184.264 2.009 10 0 AEAERN COc1ccc2c(c1)C=N[C@@H](C)C2 60137190 343351032 /nfs/dbraw/zinc/35/10/32/343351032.db2.gz UTGOGZMBDGPHAJ-QMMMGPOBSA-N 0 0 175.231 2.059 10 0 AEAERN COc1ccc2c(c1)C=N[C@H](C)C2 60137187 343351233 /nfs/dbraw/zinc/35/12/33/343351233.db2.gz UTGOGZMBDGPHAJ-MRVPVSSYSA-N 0 0 175.231 2.059 10 0 AEAERN CCCn1c(C)c[nH]c1=S 60146432 343351243 /nfs/dbraw/zinc/35/12/43/343351243.db2.gz HYRHJLQJSFGSAB-UHFFFAOYSA-N 0 0 156.254 2.264 10 0 AEAERN COc1cccc2c(Cl)noc12 60150366 343351487 /nfs/dbraw/zinc/35/14/87/343351487.db2.gz JIOINBPQWQGPNL-UHFFFAOYSA-N 0 0 183.594 2.490 10 0 AEAERN Cc1cccc2c1sc1ncnn12 60190631 343351493 /nfs/dbraw/zinc/35/14/93/343351493.db2.gz QHHDLCGKFZOWRO-UHFFFAOYSA-N 0 0 189.243 2.252 10 0 AEAERN Cc1c(O)ccc2cc[nH]c12 60176317 343351563 /nfs/dbraw/zinc/35/15/63/343351563.db2.gz ZFLFDTYWOYKUKH-UHFFFAOYSA-N 0 0 147.177 2.182 10 0 AEAERN CCOC(=N)c1ccsc1C 60197241 343351680 /nfs/dbraw/zinc/35/16/80/343351680.db2.gz LVXWWAQXBMLGFP-UHFFFAOYSA-N 0 0 169.249 2.418 10 0 AEAERN [O-][n+]1ccccc1-c1ccc(F)cc1 60177433 343351702 /nfs/dbraw/zinc/35/17/02/343351702.db2.gz HVCFFPFUUAWFTN-UHFFFAOYSA-N 0 0 189.189 2.126 10 0 AEAERN CCOC(=O)c1ccc(N)cc1CC 60206124 343351925 /nfs/dbraw/zinc/35/19/25/343351925.db2.gz VRJFDPTUKKFWTJ-UHFFFAOYSA-N 0 0 193.246 2.008 10 0 AEAERN C=Cc1ccc(C)cc1C=O 60245552 343351879 /nfs/dbraw/zinc/35/18/79/343351879.db2.gz NLJHZVURLXDEBU-UHFFFAOYSA-N 0 0 146.189 2.451 10 0 AEAERN COC(=O)Nc1ccc(OC)cc1C 60233984 343351964 /nfs/dbraw/zinc/35/19/64/343351964.db2.gz WSQKRXOGNWTUKT-UHFFFAOYSA-N 0 0 195.218 2.182 10 0 AEAERN CC(C)[C@H](C)NC(=O)c1ccoc1 60249687 343352480 /nfs/dbraw/zinc/35/24/80/343352480.db2.gz UQGWBUIOHIQLOZ-QMMMGPOBSA-N 0 0 181.235 2.054 10 0 AEAERN CCn1c(Cl)nc2cccnc21 60283565 343352757 /nfs/dbraw/zinc/35/27/57/343352757.db2.gz GHAKXKJTSLTNSR-UHFFFAOYSA-N 0 0 181.626 2.105 10 0 AEAERN CC(=O)c1ccsc1C 60308503 343353238 /nfs/dbraw/zinc/35/32/38/343353238.db2.gz KTAZSBUUVSQRRX-UHFFFAOYSA-N 0 0 140.207 2.259 10 0 AEAERN O=C1CCC[C@@H]1c1cncc(F)c1 60710905 343354096 /nfs/dbraw/zinc/35/40/96/343354096.db2.gz XHZIKNGLVOHMMA-SECBINFHSA-N 0 0 179.194 2.057 10 0 AEAERN O=C1CCCCC[C@@H]1c1cncnc1 60711030 343354111 /nfs/dbraw/zinc/35/41/11/343354111.db2.gz PNOLWCDNEHMRFN-SNVBAGLBSA-N 0 0 190.246 2.093 10 0 AEAERN CCCn1cc([C@@H]2CCCC2=O)cn1 60710909 343354157 /nfs/dbraw/zinc/35/41/57/343354157.db2.gz HFXXJIGRHFVOMY-JTQLQIEISA-N 0 0 192.262 2.130 10 0 AEAERN CCCn1cc([C@H]2CCCC2=O)cn1 60710914 343354192 /nfs/dbraw/zinc/35/41/92/343354192.db2.gz HFXXJIGRHFVOMY-SNVBAGLBSA-N 0 0 192.262 2.130 10 0 AEAERN Cn1cc([C@H]2CCCCCC2=O)cn1 60711127 343354198 /nfs/dbraw/zinc/35/41/98/343354198.db2.gz DOLYPJVKOGGLCA-SNVBAGLBSA-N 0 0 192.262 2.037 10 0 AEAERN O=C1CCCC[C@H]1c1cccnc1 60710562 343354211 /nfs/dbraw/zinc/35/42/11/343354211.db2.gz TZWLYMJGRGFVPX-JTQLQIEISA-N 0 0 175.231 2.308 10 0 AEAERN Cn1cc([C@@H]2CCCCCC2=O)cn1 60711123 343354231 /nfs/dbraw/zinc/35/42/31/343354231.db2.gz DOLYPJVKOGGLCA-JTQLQIEISA-N 0 0 192.262 2.037 10 0 AEAERN O=C1CCCC[C@@H]1c1cccnc1 60710570 343354233 /nfs/dbraw/zinc/35/42/33/343354233.db2.gz TZWLYMJGRGFVPX-SNVBAGLBSA-N 0 0 175.231 2.308 10 0 AEAERN O=C1CCCCC[C@H]1c1cncnc1 60711026 343354360 /nfs/dbraw/zinc/35/43/60/343354360.db2.gz PNOLWCDNEHMRFN-JTQLQIEISA-N 0 0 190.246 2.093 10 0 AEAERN Cc1cc(NCC(C)(C)O)ccc1F 61097510 343355078 /nfs/dbraw/zinc/35/50/78/343355078.db2.gz VIEWVEPAEDPNAA-UHFFFAOYSA-N 0 0 197.253 2.317 10 0 AEAERN Cc1cc(NC#N)ccc1F 61097620 343355171 /nfs/dbraw/zinc/35/51/71/343355171.db2.gz XMPBHDZOFYTYRT-UHFFFAOYSA-N 0 0 150.156 2.027 10 0 AEAERN Cc1ccc(C)n1C[C@@H]1CCOC1 61147637 343355613 /nfs/dbraw/zinc/35/56/13/343355613.db2.gz UYBHLVMRFXZSAQ-NSHDSACASA-N 0 0 179.263 2.141 10 0 AEAERN Cc1ccc(C)n1C[C@H]1CCOC1 61147638 343355714 /nfs/dbraw/zinc/35/57/14/343355714.db2.gz UYBHLVMRFXZSAQ-LLVKDONJSA-N 0 0 179.263 2.141 10 0 AEAERN N#CN[C@@H]1CCCc2sccc21 61362190 343356094 /nfs/dbraw/zinc/35/60/94/343356094.db2.gz UQGKGNKOENUTGY-MRVPVSSYSA-N 0 0 178.260 2.196 10 0 AEAERN C[C@H](c1ccsc1)N1CCC(=O)C1 61363671 343356146 /nfs/dbraw/zinc/35/61/46/343356146.db2.gz OJXKMRWUUHHXAZ-MRVPVSSYSA-N 0 0 195.287 2.084 10 0 AEAERN Nc1nc2c(o1)CCc1sccc1-2 61327737 343356182 /nfs/dbraw/zinc/35/61/82/343356182.db2.gz VOCAXFNPCNVWQX-UHFFFAOYSA-N 0 0 192.243 2.084 10 0 AEAERN C[C@@H](c1ccsc1)N1CCC(=O)C1 61363669 343356207 /nfs/dbraw/zinc/35/62/07/343356207.db2.gz OJXKMRWUUHHXAZ-QMMMGPOBSA-N 0 0 195.287 2.084 10 0 AEAERN N#CN[C@H]1CCCc2sccc21 61362191 343356326 /nfs/dbraw/zinc/35/63/26/343356326.db2.gz UQGKGNKOENUTGY-QMMMGPOBSA-N 0 0 178.260 2.196 10 0 AEAERN OC1(c2cccc3cccnc23)CC1 61439593 343356788 /nfs/dbraw/zinc/35/67/88/343356788.db2.gz FACQBIJEYKTNCZ-UHFFFAOYSA-N 0 0 185.226 2.216 10 0 AEAERN OC1(c2ccc3ncccc3c2)CC1 61439603 343356898 /nfs/dbraw/zinc/35/68/98/343356898.db2.gz HJKKMRDLZLDDFE-UHFFFAOYSA-N 0 0 185.226 2.216 10 0 AEAERN c1cncc(N[C@H]2CCCSC2)c1 61570639 343357405 /nfs/dbraw/zinc/35/74/05/343357405.db2.gz NCKPYBVYKPLPOW-JTQLQIEISA-N 0 0 194.303 2.389 10 0 AEAERN c1cncc(N[C@@H]2CCCSC2)c1 61570636 343357486 /nfs/dbraw/zinc/35/74/86/343357486.db2.gz NCKPYBVYKPLPOW-SNVBAGLBSA-N 0 0 194.303 2.389 10 0 AEAERN CC(C)Oc1cccc(C2(O)CC2)c1 61667215 343358478 /nfs/dbraw/zinc/35/84/78/343358478.db2.gz TWMODUHHLAEGFF-UHFFFAOYSA-N 0 0 192.258 2.455 10 0 AEAERN Cc1ccc(C(=O)C2CCOCC2)o1 61671283 343358484 /nfs/dbraw/zinc/35/84/84/343358484.db2.gz WXFIWTCIWZKADV-UHFFFAOYSA-N 0 0 194.230 2.197 10 0 AEAERN CC(C)n1cc(-n2cccc2)cn1 61684104 343360081 /nfs/dbraw/zinc/36/00/81/343360081.db2.gz XSVGIIILTJZSDB-UHFFFAOYSA-N 0 0 175.235 2.255 10 0 AEAERN CC(C)n1cc(NC2CCC2)cn1 61683273 343360099 /nfs/dbraw/zinc/36/00/99/343360099.db2.gz CHVVTOZMOHGEFI-UHFFFAOYSA-N 0 0 179.267 2.428 10 0 AEAERN COC(=N)Cc1ccc(C)c(C)c1 61681747 343360251 /nfs/dbraw/zinc/36/02/51/343360251.db2.gz MHHNZHMGGXFEBM-UHFFFAOYSA-N 0 0 177.247 2.470 10 0 AEAERN Cc1ccc(-c2c[nH]nc2N)cc1C 61681259 343360274 /nfs/dbraw/zinc/36/02/74/343360274.db2.gz XTAGNJIDLXCTFP-UHFFFAOYSA-N 0 0 187.246 2.276 10 0 AEAERN CCCc1nc(C)c(C(C)C)c(=O)[nH]1 61688276 343360591 /nfs/dbraw/zinc/36/05/91/343360591.db2.gz YIPHHVDZUPSACD-UHFFFAOYSA-N 0 0 194.278 2.154 10 0 AEAERN Cc1ccc(NCC2CC2)cc1N 61700814 343360679 /nfs/dbraw/zinc/36/06/79/343360679.db2.gz ODZBLAKQQXTMSQ-UHFFFAOYSA-N 0 0 176.263 2.399 10 0 AEAERN C[C@H](O)c1ccc(N(C)C)c(Cl)c1 61694998 343360687 /nfs/dbraw/zinc/36/06/87/343360687.db2.gz ODZGGHFQZVTECD-ZETCQYMHSA-N 0 0 199.681 2.459 10 0 AEAERN Cc1ccc(N(C)CC2CC2)cc1N 61701451 343360718 /nfs/dbraw/zinc/36/07/18/343360718.db2.gz VGKHYSBMBLXSRI-UHFFFAOYSA-N 0 0 190.290 2.423 10 0 AEAERN Cc1ccc(N[C@@H]2C[C@@H]2C)cc1N 61701988 343360767 /nfs/dbraw/zinc/36/07/67/343360767.db2.gz HHNZDDKDAIITAB-GZMMTYOYSA-N 0 0 176.263 2.398 10 0 AEAERN Cc1ccc(NC2CC2)cc1N 61700798 343360776 /nfs/dbraw/zinc/36/07/76/343360776.db2.gz KVWZCZRBTAMIGV-UHFFFAOYSA-N 0 0 162.236 2.152 10 0 AEAERN Cc1nc(C2CC2)nc(N)c1C(C)C 61687266 343360778 /nfs/dbraw/zinc/36/07/78/343360778.db2.gz BPROXKWRFZAGDB-UHFFFAOYSA-N 0 0 191.278 2.368 10 0 AEAERN Cc1ccc(N2CC[C@H](C)C2)cc1N 61701468 343360824 /nfs/dbraw/zinc/36/08/24/343360824.db2.gz YHBMOCAZXPRJKY-VIFPVBQESA-N 0 0 190.290 2.423 10 0 AEAERN Cc1ccc(N2CC[C@@H](C)C2)cc1N 61701469 343360836 /nfs/dbraw/zinc/36/08/36/343360836.db2.gz YHBMOCAZXPRJKY-SECBINFHSA-N 0 0 190.290 2.423 10 0 AEAERN C[C@@H](O)c1ccc(N(C)C)c(Cl)c1 61694999 343360854 /nfs/dbraw/zinc/36/08/54/343360854.db2.gz ODZGGHFQZVTECD-SSDOTTSWSA-N 0 0 199.681 2.459 10 0 AEAERN CCc1nc(C)c(C(C)C)c(N)n1 61687262 343360862 /nfs/dbraw/zinc/36/08/62/343360862.db2.gz MMGCBFPZLFNWTE-UHFFFAOYSA-N 0 0 179.267 2.053 10 0 AEAERN CCCN(C)c1ccc(C)c(N)c1 61701153 343360866 /nfs/dbraw/zinc/36/08/66/343360866.db2.gz PDSSFBNLNKTFLE-UHFFFAOYSA-N 0 0 178.279 2.423 10 0 AEAERN Cc1ccc(N(C)C(C)C)cc1N 61700695 343360877 /nfs/dbraw/zinc/36/08/77/343360877.db2.gz MLMSJWNXRHOOAG-UHFFFAOYSA-N 0 0 178.279 2.422 10 0 AEAERN CCNc1ccc(C)c(N)c1 61700810 343360912 /nfs/dbraw/zinc/36/09/12/343360912.db2.gz NMRJTPABHJLURO-UHFFFAOYSA-N 0 0 150.225 2.009 10 0 AEAERN Cc1cnc(NC2CC2)s1 61714573 343362993 /nfs/dbraw/zinc/36/29/93/343362993.db2.gz ANXXTEHVKUXCFE-UHFFFAOYSA-N 0 0 154.238 2.026 10 0 AEAERN Cn1cc(-c2csc(Cl)n2)cn1 61714173 343363040 /nfs/dbraw/zinc/36/30/40/343363040.db2.gz RGDOEBRIMJBQEM-UHFFFAOYSA-N 0 0 199.666 2.197 10 0 AEAERN CC(C)Nc1nc2c(s1)COCC2 61714501 343363059 /nfs/dbraw/zinc/36/30/59/343363059.db2.gz XVUUTTJZKOYBDK-UHFFFAOYSA-N 0 0 198.291 2.036 10 0 AEAERN Cc1cnc(NC(C)C)s1 61714506 343363156 /nfs/dbraw/zinc/36/31/56/343363156.db2.gz MCVHUUCKQORLPD-UHFFFAOYSA-N 0 0 156.254 2.272 10 0 AEAERN CCc1cnc(NC2CC2)s1 61714577 343363175 /nfs/dbraw/zinc/36/31/75/343363175.db2.gz XOPVZYZQHQULOL-UHFFFAOYSA-N 0 0 168.265 2.280 10 0 AEAERN COCc1sc(Cl)nc1C 61714168 343363177 /nfs/dbraw/zinc/36/31/77/343363177.db2.gz YLEJNULLDFIQMO-UHFFFAOYSA-N 0 0 177.656 2.251 10 0 AEAERN OCc1nc2c(s1)CCCCCC2 61801918 343363377 /nfs/dbraw/zinc/36/33/77/343363377.db2.gz FRHLKBSPAOUISB-UHFFFAOYSA-N 0 0 197.303 2.294 10 0 AEAERN O=Cc1nc(-c2ccncc2)cs1 61799014 343363391 /nfs/dbraw/zinc/36/33/91/343363391.db2.gz ZCKUEMQGPPIXNG-UHFFFAOYSA-N 0 0 190.227 2.018 10 0 AEAERN CC[C@@H]1CCc2nc(C=O)sc2C1 61798336 343363428 /nfs/dbraw/zinc/36/34/28/343363428.db2.gz YUOMFDNFCDWEGV-SSDOTTSWSA-N 0 0 195.287 2.471 10 0 AEAERN CC[C@H]1CCc2nc(C=O)sc2C1 61798338 343363449 /nfs/dbraw/zinc/36/34/49/343363449.db2.gz YUOMFDNFCDWEGV-ZETCQYMHSA-N 0 0 195.287 2.471 10 0 AEAERN O=Cc1nc(-c2ccco2)cs1 61799215 343363470 /nfs/dbraw/zinc/36/34/70/343363470.db2.gz UOXLENLTXASAJL-UHFFFAOYSA-N 0 0 179.200 2.216 10 0 AEAERN OCc1nc(C2CCCC2)cs1 61802407 343363484 /nfs/dbraw/zinc/36/34/84/343363484.db2.gz RHJVFIUYHOSOFM-UHFFFAOYSA-N 0 0 183.276 2.293 10 0 AEAERN CC[C@@H](C)c1csc(C=O)n1 61798734 343363506 /nfs/dbraw/zinc/36/35/06/343363506.db2.gz PYFPFYPIOASOGY-ZCFIWIBFSA-N 0 0 169.249 2.469 10 0 AEAERN CC[C@H]1CCc2nc(CO)sc2C1 61801882 343363529 /nfs/dbraw/zinc/36/35/29/343363529.db2.gz QQAFQZMOVIDVST-ZETCQYMHSA-N 0 0 197.303 2.150 10 0 AEAERN CC[C@@H]1CCc2nc(CO)sc2C1 61801878 343363604 /nfs/dbraw/zinc/36/36/04/343363604.db2.gz QQAFQZMOVIDVST-SSDOTTSWSA-N 0 0 197.303 2.150 10 0 AEAERN CC(C)(O)c1ccc(F)c(F)c1F 61837841 343364829 /nfs/dbraw/zinc/36/48/29/343364829.db2.gz VLUVSYNARKEDEF-UHFFFAOYSA-N 0 0 190.164 2.331 10 0 AEAERN C[C@H](O)c1ccc(F)c(F)c1F 61838148 343364880 /nfs/dbraw/zinc/36/48/80/343364880.db2.gz ILJQOYFGFVFJSO-BYPYZUCNSA-N 0 0 176.137 2.157 10 0 AEAERN C[C@@H](O)c1ccc(F)c(F)c1F 61838149 343365047 /nfs/dbraw/zinc/36/50/47/343365047.db2.gz ILJQOYFGFVFJSO-SCSAIBSYSA-N 0 0 176.137 2.157 10 0 AEAERN C=CS(=O)(=O)c1ccc(C)cc1C 61844212 343365143 /nfs/dbraw/zinc/36/51/43/343365143.db2.gz ALLJHECTJQCHSD-UHFFFAOYSA-N 0 0 196.271 2.221 10 0 AEAERN C=CS(=O)(=O)Cc1ccccc1C 61844236 343365163 /nfs/dbraw/zinc/36/51/63/343365163.db2.gz XDIAIHMJSFJBKR-UHFFFAOYSA-N 0 0 196.271 2.053 10 0 AEAERN C=CS(=O)(=O)Cc1cccc(C)c1 61844237 343365230 /nfs/dbraw/zinc/36/52/30/343365230.db2.gz ZDOHOQSSUOGOQJ-UHFFFAOYSA-N 0 0 196.271 2.053 10 0 AEAERN C=CS(=O)(=O)c1ccc(C)c(C)c1 61844211 343365349 /nfs/dbraw/zinc/36/53/49/343365349.db2.gz PVOFOTFMUDGWTA-UHFFFAOYSA-N 0 0 196.271 2.221 10 0 AEAERN Cc1ccnc(N[C@@H](C)C(C)C)n1 61858926 343365600 /nfs/dbraw/zinc/36/56/00/343365600.db2.gz NRBWLQOFCDACKH-VIFPVBQESA-N 0 0 179.267 2.241 10 0 AEAERN CCCCCNc1nccc(C)n1 61858837 343365721 /nfs/dbraw/zinc/36/57/21/343365721.db2.gz BUPBXIIEMCHKAQ-UHFFFAOYSA-N 0 0 179.267 2.387 10 0 AEAERN COCCNc1nc(C2CC2)cs1 61877230 343366077 /nfs/dbraw/zinc/36/60/77/343366077.db2.gz JCJMVGKZJOFGPZ-UHFFFAOYSA-N 0 0 198.291 2.079 10 0 AEAERN O[C@@H](Cc1cccs1)C(F)(F)F 61893816 343366434 /nfs/dbraw/zinc/36/64/34/343366434.db2.gz JEYVZLNQADAWNP-LURJTMIESA-N 0 0 196.193 2.214 10 0 AEAERN O[C@H](Cc1ccsc1)C(F)(F)F 61893853 343366465 /nfs/dbraw/zinc/36/64/65/343366465.db2.gz SFQFYADRDYRMAA-ZCFIWIBFSA-N 0 0 196.193 2.214 10 0 AEAERN O[C@@H](CC1CCCC1)C(F)(F)F 61893870 343366607 /nfs/dbraw/zinc/36/66/07/343366607.db2.gz GCOOFJUSEUHJKO-ZETCQYMHSA-N 0 0 182.185 2.490 10 0 AEAERN O=C1CCC[C@H]1Cc1ccco1 62102266 343370585 /nfs/dbraw/zinc/37/05/85/343370585.db2.gz JVFBAJPPKCCNIM-QMMMGPOBSA-N 0 0 164.204 2.191 10 0 AEAERN O=C1CCC[C@@H]1Cc1ccco1 62102267 343370657 /nfs/dbraw/zinc/37/06/57/343370657.db2.gz JVFBAJPPKCCNIM-MRVPVSSYSA-N 0 0 164.204 2.191 10 0 AEAERN Cc1ccc(Cn2cccc2)cn1 62073824 343370744 /nfs/dbraw/zinc/37/07/44/343370744.db2.gz XLDVCYIZUHKVLG-UHFFFAOYSA-N 0 0 172.231 2.240 10 0 AEAERN CCc1ccc2[nH]c(C)nc2c1 62152732 343371607 /nfs/dbraw/zinc/37/16/07/343371607.db2.gz JIIPEJSYISRQCY-UHFFFAOYSA-N 0 0 160.220 2.434 10 0 AEAERN C[C@@H]1C[C@@H]1[C@H](O)Cc1ccsc1 62137457 343371651 /nfs/dbraw/zinc/37/16/51/343371651.db2.gz FTSCTUDBVASSCH-FKTZTGRPSA-N 0 0 182.288 2.308 10 0 AEAERN C[C@@H]1C[C@H]1[C@H](O)Cc1ccsc1 62137459 343371872 /nfs/dbraw/zinc/37/18/72/343371872.db2.gz FTSCTUDBVASSCH-SZEHBUNVSA-N 0 0 182.288 2.308 10 0 AEAERN CC[C@H]1CCCN1C(=O)C(C)(C)C 62192326 343372103 /nfs/dbraw/zinc/37/21/03/343372103.db2.gz JGTWNMDQZSQSEH-VIFPVBQESA-N 0 0 183.295 2.434 10 0 AEAERN O=C(c1ccccc1)[C@H]1CCCOC1 62195101 343372222 /nfs/dbraw/zinc/37/22/22/343372222.db2.gz FGGFDKJMMLLQIT-NSHDSACASA-N 0 0 190.242 2.296 10 0 AEAERN CCOC(=O)N1CCC[C@H]1CC 62192460 343372281 /nfs/dbraw/zinc/37/22/81/343372281.db2.gz PTPYDPTYWFNPNY-MRVPVSSYSA-N 0 0 171.240 2.017 10 0 AEAERN Cc1[nH]c(=O)sc1-c1ccccc1 62170315 343372359 /nfs/dbraw/zinc/37/23/59/343372359.db2.gz MXBXSPZZDDHBLB-UHFFFAOYSA-N 0 0 191.255 2.412 10 0 AEAERN O=C(c1ccccc1)[C@@H]1CCCOC1 62195098 343372367 /nfs/dbraw/zinc/37/23/67/343372367.db2.gz FGGFDKJMMLLQIT-LLVKDONJSA-N 0 0 190.242 2.296 10 0 AEAERN Cc1nc(C)c(=S)[nH]c1C 62202994 343372377 /nfs/dbraw/zinc/37/23/77/343372377.db2.gz LHVKHMOLTUTFCM-UHFFFAOYSA-N 0 0 154.238 2.064 10 0 AEAERN O=C(c1cccs1)[C@H]1CCCOC1 62195239 343372402 /nfs/dbraw/zinc/37/24/02/343372402.db2.gz JLFRIKBRASTNJX-QMMMGPOBSA-N 0 0 196.271 2.357 10 0 AEAERN O=C(c1cccs1)[C@@H]1CCCOC1 62195238 343372473 /nfs/dbraw/zinc/37/24/73/343372473.db2.gz JLFRIKBRASTNJX-MRVPVSSYSA-N 0 0 196.271 2.357 10 0 AEAERN CC[C@@H]1CCCN1C(=O)C(C)(C)C 62192324 343372506 /nfs/dbraw/zinc/37/25/06/343372506.db2.gz JGTWNMDQZSQSEH-SECBINFHSA-N 0 0 183.295 2.434 10 0 AEAERN Cc1nnc(N)cc1-c1ccccc1 62182320 343372516 /nfs/dbraw/zinc/37/25/16/343372516.db2.gz NBZANAIVXBVNEU-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN O[C@H](c1cccs1)[C@@H]1CCCOC1 62239320 343372735 /nfs/dbraw/zinc/37/27/35/343372735.db2.gz PJRSEGRYJPTTCU-SCZZXKLOSA-N 0 0 198.287 2.208 10 0 AEAERN O[C@H](c1cccs1)[C@H]1CCCOC1 62239328 343372936 /nfs/dbraw/zinc/37/29/36/343372936.db2.gz PJRSEGRYJPTTCU-WPRPVWTQSA-N 0 0 198.287 2.208 10 0 AEAERN O[C@@H](c1cccs1)[C@@H]1CCCOC1 62239315 343372937 /nfs/dbraw/zinc/37/29/37/343372937.db2.gz PJRSEGRYJPTTCU-PSASIEDQSA-N 0 0 198.287 2.208 10 0 AEAERN O[C@@H](c1cccs1)[C@H]1CCCOC1 62239324 343372958 /nfs/dbraw/zinc/37/29/58/343372958.db2.gz PJRSEGRYJPTTCU-WCBMZHEXSA-N 0 0 198.287 2.208 10 0 AEAERN Cc1ccc(C(=O)[C@@H]2CCCOC2)o1 62229724 343372976 /nfs/dbraw/zinc/37/29/76/343372976.db2.gz AMYMUMSAWNTSSM-SECBINFHSA-N 0 0 194.230 2.197 10 0 AEAERN CC(C)[C@H](O)c1ccc2c(c1)COC2 62334583 343373193 /nfs/dbraw/zinc/37/31/93/343373193.db2.gz PEFNRDFFSVPUJQ-LBPRGKRZSA-N 0 0 192.258 2.406 10 0 AEAERN CC(C)[C@@H](O)c1ccc2c(c1)COC2 62334586 343373221 /nfs/dbraw/zinc/37/32/21/343373221.db2.gz PEFNRDFFSVPUJQ-GFCCVEGCSA-N 0 0 192.258 2.406 10 0 AEAERN CCC(=O)c1ccc2c(c1)COC2 62331315 343373467 /nfs/dbraw/zinc/37/34/67/343373467.db2.gz ZAMARLHHHGJCHW-UHFFFAOYSA-N 0 0 176.215 2.310 10 0 AEAERN O=C(c1ccc2c(c1)COC2)C1CC1 62331373 343373479 /nfs/dbraw/zinc/37/34/79/343373479.db2.gz GGUWHFNPSAIFAA-UHFFFAOYSA-N 0 0 188.226 2.310 10 0 AEAERN CC[C@@H](O)c1ccc2c(c1)COC2 62334608 343373531 /nfs/dbraw/zinc/37/35/31/343373531.db2.gz HPSOHADYVIZFFK-LLVKDONJSA-N 0 0 178.231 2.160 10 0 AEAERN CC(=O)c1nc2c(C)cccc2[nH]1 62365694 343373699 /nfs/dbraw/zinc/37/36/99/343373699.db2.gz HFDSIBWLPOKMOY-UHFFFAOYSA-N 0 0 174.203 2.074 10 0 AEAERN C[C@@H](O)c1nc2c(Cl)cccc2[nH]1 62365842 343373762 /nfs/dbraw/zinc/37/37/62/343373762.db2.gz AQUVUKMYMYJWKY-RXMQYKEDSA-N 0 0 196.637 2.270 10 0 AEAERN CC(=O)c1nc2c(Cl)cccc2[nH]1 62365644 343373782 /nfs/dbraw/zinc/37/37/82/343373782.db2.gz FCKFJBQRRZCVKP-UHFFFAOYSA-N 0 0 194.621 2.419 10 0 AEAERN C[C@H](O)c1nc2c(Cl)cccc2[nH]1 62365838 343373787 /nfs/dbraw/zinc/37/37/87/343373787.db2.gz AQUVUKMYMYJWKY-YFKPBYRVSA-N 0 0 196.637 2.270 10 0 AEAERN O=C(c1cscn1)c1cccs1 62354439 343373817 /nfs/dbraw/zinc/37/38/17/343373817.db2.gz DZPBJPYZUJZDAY-UHFFFAOYSA-N 0 0 195.268 2.436 10 0 AEAERN Cc1ccc(C(=O)c2cscn2)o1 62354675 343373820 /nfs/dbraw/zinc/37/38/20/343373820.db2.gz OZFBPWYZMAOGCT-UHFFFAOYSA-N 0 0 193.227 2.276 10 0 AEAERN CC(C)c1n[nH]c(-c2cscn2)n1 62357935 343373843 /nfs/dbraw/zinc/37/38/43/343373843.db2.gz GFHRIKUODILWAV-UHFFFAOYSA-N 0 0 194.263 2.052 10 0 AEAERN Cc1ccc([C@H](N)c2cscn2)o1 62356808 343373969 /nfs/dbraw/zinc/37/39/69/343373969.db2.gz RTIZAKIRLSIALJ-SECBINFHSA-N 0 0 194.259 2.093 10 0 AEAERN Cc1ccc([C@@H](N)c2cscn2)o1 62356811 343373994 /nfs/dbraw/zinc/37/39/94/343373994.db2.gz RTIZAKIRLSIALJ-VIFPVBQESA-N 0 0 194.259 2.093 10 0 AEAERN Cc1cc(Cl)cc2nc(CN)oc12 62522167 343374174 /nfs/dbraw/zinc/37/41/74/343374174.db2.gz MIIBAJKXHDKXNW-UHFFFAOYSA-N 0 0 196.637 2.248 10 0 AEAERN Cc1cc(C)c2c(c1)NCCCO2 62519844 343374185 /nfs/dbraw/zinc/37/41/85/343374185.db2.gz ZZNREKFMDWHZKK-UHFFFAOYSA-N 0 0 177.247 2.498 10 0 AEAERN Cc1cc(C)c2c(c1)N[C@H](C)CO2 62519693 343374209 /nfs/dbraw/zinc/37/42/09/343374209.db2.gz AIMXSLFMNFBPLM-SECBINFHSA-N 0 0 177.247 2.496 10 0 AEAERN C[C@H]1COc2c(F)cccc2N1 62498554 343374212 /nfs/dbraw/zinc/37/42/12/343374212.db2.gz BBAAYMXXKHAVFD-LURJTMIESA-N 0 0 167.183 2.019 10 0 AEAERN Cc1cc(N)c2occc2c1 62498456 343374214 /nfs/dbraw/zinc/37/42/14/343374214.db2.gz CPUOPWIKBFFBNE-UHFFFAOYSA-N 0 0 147.177 2.323 10 0 AEAERN Cc1cc2ncoc2cc1C 62498449 343374230 /nfs/dbraw/zinc/37/42/30/343374230.db2.gz RWNMLYACWNIEIG-UHFFFAOYSA-N 0 0 147.177 2.445 10 0 AEAERN Cc1cc(C)c2ocnc2c1 62498450 343374236 /nfs/dbraw/zinc/37/42/36/343374236.db2.gz XQJQKADNDFGUPY-UHFFFAOYSA-N 0 0 147.177 2.445 10 0 AEAERN Cc1cccc2c1OC[C@H](C)N2 62498522 343374322 /nfs/dbraw/zinc/37/43/22/343374322.db2.gz RTDXAVXCPSQXCT-QMMMGPOBSA-N 0 0 163.220 2.188 10 0 AEAERN CCc1ccc2c(c1)NCCCO2 62519838 343374328 /nfs/dbraw/zinc/37/43/28/343374328.db2.gz CAHDQOCYAPIXMV-UHFFFAOYSA-N 0 0 177.247 2.443 10 0 AEAERN CC[C@@H]1CNc2cccc(F)c2O1 62520172 343374330 /nfs/dbraw/zinc/37/43/30/343374330.db2.gz UUIAFVZLUZWEIW-SSDOTTSWSA-N 0 0 181.210 2.409 10 0 AEAERN CC1(C)CC(=O)Nc2ccccc2O1 62520966 343374349 /nfs/dbraw/zinc/37/43/49/343374349.db2.gz QUDGNBFFOBBZFA-UHFFFAOYSA-N 0 0 191.230 2.186 10 0 AEAERN Cc1cccc2c1OCCCN2 62498529 343374371 /nfs/dbraw/zinc/37/43/71/343374371.db2.gz OYEKBXKFNBREPV-UHFFFAOYSA-N 0 0 163.220 2.189 10 0 AEAERN C[C@H]1CNc2cc(F)cc(F)c2OC1 62522517 343374374 /nfs/dbraw/zinc/37/43/74/343374374.db2.gz ANYXCQHGHFPMCV-LURJTMIESA-N 0 0 199.200 2.405 10 0 AEAERN Cc1cc(C)c2c(c1)NC(=O)CCO2 62521000 343374380 /nfs/dbraw/zinc/37/43/80/343374380.db2.gz LCCKJAKOOQPPPU-UHFFFAOYSA-N 0 0 191.230 2.024 10 0 AEAERN Cc1cc2c(cc1C)OCCN2 62498512 343374395 /nfs/dbraw/zinc/37/43/95/343374395.db2.gz YGNLKRZOQKGQLJ-UHFFFAOYSA-N 0 0 163.220 2.108 10 0 AEAERN CCc1ccc2c(c1)N[C@H](C)CO2 62519676 343374408 /nfs/dbraw/zinc/37/44/08/343374408.db2.gz OHLVYACNEXGRNQ-MRVPVSSYSA-N 0 0 177.247 2.442 10 0 AEAERN C[C@H]1COc2ccc(F)cc2N1 62498549 343374411 /nfs/dbraw/zinc/37/44/11/343374411.db2.gz BDSQAXWZOTXPFT-LURJTMIESA-N 0 0 167.183 2.019 10 0 AEAERN Cc1ccc2nc(N)oc2c1C 62498498 343374416 /nfs/dbraw/zinc/37/44/16/343374416.db2.gz MBKNGZWYYPENFY-UHFFFAOYSA-N 0 0 162.192 2.027 10 0 AEAERN Cc1cc(Cl)cc2c1OCCN2 62520291 343374419 /nfs/dbraw/zinc/37/44/19/343374419.db2.gz BBVKCNCNVQNXGE-UHFFFAOYSA-N 0 0 183.638 2.453 10 0 AEAERN Cc1cc(C)c2c(c1)NC[C@@H](C)O2 62519673 343374426 /nfs/dbraw/zinc/37/44/26/343374426.db2.gz MTFZEFUBSBMJBZ-SECBINFHSA-N 0 0 177.247 2.496 10 0 AEAERN Cc1ccc2c(c1)[C@H](O)CCCO2 62566823 343375394 /nfs/dbraw/zinc/37/53/94/343375394.db2.gz HXRCITBWUABNQH-SNVBAGLBSA-N 0 0 178.231 2.201 10 0 AEAERN COc1ccccc1-n1nccc1C 62606193 343376924 /nfs/dbraw/zinc/37/69/24/343376924.db2.gz XABBCVPCXVSWNG-UHFFFAOYSA-N 0 0 188.230 2.189 10 0 AEAERN CC(C)c1cc(NC2CC2)n[nH]1 62668764 343377202 /nfs/dbraw/zinc/37/72/02/343377202.db2.gz UCMZYCDIXHKPPX-UHFFFAOYSA-N 0 0 165.240 2.107 10 0 AEAERN CNc1n[nH]c2c1Cc1ccccc1-2 62667698 343377237 /nfs/dbraw/zinc/37/72/37/343377237.db2.gz CBFPUPSYGZWILI-UHFFFAOYSA-N 0 0 185.230 2.023 10 0 AEAERN CC(C)Nc1n[nH]c2c1CCCC2 62668612 343377286 /nfs/dbraw/zinc/37/72/86/343377286.db2.gz YWSROWAFAAQOCO-UHFFFAOYSA-N 0 0 179.267 2.109 10 0 AEAERN CCc1[nH]nc(NC(C)(C)C)c1C 62669315 343377314 /nfs/dbraw/zinc/37/73/14/343377314.db2.gz LOJLWVLFXKKNGB-UHFFFAOYSA-N 0 0 181.283 2.491 10 0 AEAERN CC(C)Nc1cc(C2CC2)[nH]n1 62668421 343377329 /nfs/dbraw/zinc/37/73/29/343377329.db2.gz GLSWIMKCOXQNKX-UHFFFAOYSA-N 0 0 165.240 2.107 10 0 AEAERN Cc1c(NC2CC2)n[nH]c1C(C)C 62668949 343377394 /nfs/dbraw/zinc/37/73/94/343377394.db2.gz PGFSVRXHSFOPQE-UHFFFAOYSA-N 0 0 179.267 2.416 10 0 AEAERN CC(C)CNc1n[nH]c2c1CCCC2 62669501 343377416 /nfs/dbraw/zinc/37/74/16/343377416.db2.gz VHJGJTZZSZMZTO-UHFFFAOYSA-N 0 0 193.294 2.356 10 0 AEAERN CC(C)Nc1n[nH]c2c1CCCCC2 62668684 343377476 /nfs/dbraw/zinc/37/74/76/343377476.db2.gz LIAATYBTGKZEGY-UHFFFAOYSA-N 0 0 193.294 2.499 10 0 AEAERN CCN(C)c1c(F)cc(C=O)cc1F 62707124 343377920 /nfs/dbraw/zinc/37/79/20/343377920.db2.gz DBSCMQZVXXQGMK-UHFFFAOYSA-N 0 0 199.200 2.233 10 0 AEAERN CCCN(C)c1cccc(N)c1C 62724595 343378683 /nfs/dbraw/zinc/37/86/83/343378683.db2.gz UJCDFHWGVFAXPU-UHFFFAOYSA-N 0 0 178.279 2.423 10 0 AEAERN Cc1c(N)cccc1N(C)C(C)C 62723836 343378705 /nfs/dbraw/zinc/37/87/05/343378705.db2.gz CIQYLCCVXMFAJW-UHFFFAOYSA-N 0 0 178.279 2.422 10 0 AEAERN Cc1c(N)cccc1NC(C)C 62724044 343378770 /nfs/dbraw/zinc/37/87/70/343378770.db2.gz GGPJZVMUJUZYRY-UHFFFAOYSA-N 0 0 164.252 2.398 10 0 AEAERN Cc1c(N)cccc1NCC1CC1 62724085 343378860 /nfs/dbraw/zinc/37/88/60/343378860.db2.gz BJTPNXFDPPAXCX-UHFFFAOYSA-N 0 0 176.263 2.399 10 0 AEAERN Cc1c(N)cccc1N(C)CC1CC1 62724834 343378939 /nfs/dbraw/zinc/37/89/39/343378939.db2.gz OTWQJRLUUSDGFI-UHFFFAOYSA-N 0 0 190.290 2.423 10 0 AEAERN Cc1c(N)cccc1NC1CC1 62724062 343378944 /nfs/dbraw/zinc/37/89/44/343378944.db2.gz WTTYDBBTKGBULP-UHFFFAOYSA-N 0 0 162.236 2.152 10 0 AEAERN Cc1c(N)cccc1N[C@@H]1C[C@H]1C 62725442 343378951 /nfs/dbraw/zinc/37/89/51/343378951.db2.gz AZKAMERNIZLWCD-RDDDGLTNSA-N 0 0 176.263 2.398 10 0 AEAERN Cc1c(N)cccc1N[C@H]1C[C@H]1C 62725443 343378980 /nfs/dbraw/zinc/37/89/80/343378980.db2.gz AZKAMERNIZLWCD-HQJQHLMTSA-N 0 0 176.263 2.398 10 0 AEAERN Cc1c(N)cccc1N[C@@H]1C[C@@H]1C 62725439 343379001 /nfs/dbraw/zinc/37/90/01/343379001.db2.gz AZKAMERNIZLWCD-WRWORJQWSA-N 0 0 176.263 2.398 10 0 AEAERN Cc1c(N)cccc1N(C)C1CC1 62724572 343379003 /nfs/dbraw/zinc/37/90/03/343379003.db2.gz CTTDINZJGGVFMY-UHFFFAOYSA-N 0 0 176.263 2.176 10 0 AEAERN Cc1c(N)cccc1N[C@H]1C[C@@H]1C 62725441 343379025 /nfs/dbraw/zinc/37/90/25/343379025.db2.gz AZKAMERNIZLWCD-CPCISQLKSA-N 0 0 176.263 2.398 10 0 AEAERN C[C@@](O)(Cc1ccco1)C(F)(F)F 62772268 343379231 /nfs/dbraw/zinc/37/92/31/343379231.db2.gz KADBMEVJOXMMLQ-SSDOTTSWSA-N 0 0 194.152 2.135 10 0 AEAERN Cc1ccc(C(=O)c2cn[nH]c2)s1 62775547 343379444 /nfs/dbraw/zinc/37/94/44/343379444.db2.gz IDXWPGXFTSAQJW-UHFFFAOYSA-N 0 0 192.243 2.011 10 0 AEAERN C[C@H](Cc1ccco1)Nc1cn[nH]c1 62769893 343379467 /nfs/dbraw/zinc/37/94/67/343379467.db2.gz MILLPLSYOLMKTD-MRVPVSSYSA-N 0 0 191.234 2.046 10 0 AEAERN C[C@](O)(Cc1ccco1)C(F)(F)F 62772269 343379489 /nfs/dbraw/zinc/37/94/89/343379489.db2.gz KADBMEVJOXMMLQ-ZETCQYMHSA-N 0 0 194.152 2.135 10 0 AEAERN Cc1ccsc1C(=O)c1cn[nH]c1 62775704 343379504 /nfs/dbraw/zinc/37/95/04/343379504.db2.gz NLYTYCZFTCRDMW-UHFFFAOYSA-N 0 0 192.243 2.011 10 0 AEAERN NC(=S)C1(c2ccccc2)CCC1 62780140 343379695 /nfs/dbraw/zinc/37/96/95/343379695.db2.gz HONPZGDOEZVLEY-UHFFFAOYSA-N 0 0 191.299 2.394 10 0 AEAERN COC(=N)C1(c2ccccc2)CC1 62781951 343380286 /nfs/dbraw/zinc/38/02/86/343380286.db2.gz YNYLHLLZOZOTQD-UHFFFAOYSA-N 0 0 175.231 2.342 10 0 AEAERN CCC(=O)Nc1cccc(NC)c1C 62796891 343380052 /nfs/dbraw/zinc/38/00/52/343380052.db2.gz STDRXSRVNCMBEA-UHFFFAOYSA-N 0 0 192.262 2.385 10 0 AEAERN CNc1ccc(C)cc1OC 62796594 343380058 /nfs/dbraw/zinc/38/00/58/343380058.db2.gz FSXUPZLFIOETTL-UHFFFAOYSA-N 0 0 151.209 2.045 10 0 AEAERN C[C@@H](O)C1(c2ccccc2)CCC1 62780944 343380075 /nfs/dbraw/zinc/38/00/75/343380075.db2.gz UZCKMKYVVYPRIE-SNVBAGLBSA-N 0 0 176.259 2.489 10 0 AEAERN C[C@H](O)C1(c2ccccc2)CC1 62780741 343380133 /nfs/dbraw/zinc/38/01/33/343380133.db2.gz SZAGNANIPCREKK-VIFPVBQESA-N 0 0 162.232 2.099 10 0 AEAERN C[C@@H](O)C1(c2ccccc2)CC1 62780742 343380160 /nfs/dbraw/zinc/38/01/60/343380160.db2.gz SZAGNANIPCREKK-SECBINFHSA-N 0 0 162.232 2.099 10 0 AEAERN C[C@H](O)C1(c2ccccc2)CCC1 62780943 343380232 /nfs/dbraw/zinc/38/02/32/343380232.db2.gz UZCKMKYVVYPRIE-JTQLQIEISA-N 0 0 176.259 2.489 10 0 AEAERN CNc1cc(OC)c(OC)cc1C 62796629 343380246 /nfs/dbraw/zinc/38/02/46/343380246.db2.gz ZANMGJKMBLQBFQ-UHFFFAOYSA-N 0 0 181.235 2.054 10 0 AEAERN CCc1nc2cc(NC)ccc2o1 62796600 343380253 /nfs/dbraw/zinc/38/02/53/343380253.db2.gz IHFJOKOVZDBFPV-UHFFFAOYSA-N 0 0 176.219 2.432 10 0 AEAERN CC[C@H](O)C1(c2ccccc2)CC1 62780733 343380301 /nfs/dbraw/zinc/38/03/01/343380301.db2.gz DJKCIRINJPBCQL-NSHDSACASA-N 0 0 176.259 2.489 10 0 AEAERN C[C@H]1CCC[C@H](c2nc(CO)c[nH]2)C1 62820528 343382337 /nfs/dbraw/zinc/38/23/37/343382337.db2.gz REUWEZBBLIAMDV-IUCAKERBSA-N 0 0 194.278 2.196 10 0 AEAERN Nc1cnc(SC2CCCC2)nc1 62829124 343382373 /nfs/dbraw/zinc/38/23/73/343382373.db2.gz LQOVJOXEVVMSLX-UHFFFAOYSA-N 0 0 195.291 2.094 10 0 AEAERN C[C@@H]1CCC[C@H](c2nc(CO)c[nH]2)C1 62820527 343382405 /nfs/dbraw/zinc/38/24/05/343382405.db2.gz REUWEZBBLIAMDV-BDAKNGLRSA-N 0 0 194.278 2.196 10 0 AEAERN OCCCCSC1CCCC1 62829959 343382475 /nfs/dbraw/zinc/38/24/75/343382475.db2.gz AXLOWULPWHJORG-UHFFFAOYSA-N 0 0 174.309 2.435 10 0 AEAERN C[C@@H]1CCC[C@@H](c2nc(CO)c[nH]2)C1 62820529 343382759 /nfs/dbraw/zinc/38/27/59/343382759.db2.gz REUWEZBBLIAMDV-RKDXNWHRSA-N 0 0 194.278 2.196 10 0 AEAERN Nc1n[nH]cc1SC1CCCC1 62829122 343382901 /nfs/dbraw/zinc/38/29/01/343382901.db2.gz MHSLCDPXDVSPNE-UHFFFAOYSA-N 0 0 183.280 2.027 10 0 AEAERN Cc1ccc(-c2cnc(N)s2)cn1 62948311 343386955 /nfs/dbraw/zinc/38/69/55/343386955.db2.gz QDUKBBNZBGVGRA-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1ccc([C@H]2CCCC2=O)cn1 62950555 343387528 /nfs/dbraw/zinc/38/75/28/343387528.db2.gz QMRBBERUANHALS-SNVBAGLBSA-N 0 0 175.231 2.227 10 0 AEAERN Cc1ccc([C@@H](N)c2ccco2)cn1 62950384 343387570 /nfs/dbraw/zinc/38/75/70/343387570.db2.gz HXSOHEQYZRRFCF-LLVKDONJSA-N 0 0 188.230 2.031 10 0 AEAERN Cc1ccc([C@@H](O)CC(C)C)cn1 62949557 343387618 /nfs/dbraw/zinc/38/76/18/343387618.db2.gz YCNCJIOCJKOBII-NSHDSACASA-N 0 0 179.263 2.470 10 0 AEAERN Cc1ccc(C(=O)c2ccco2)cn1 62949477 343387630 /nfs/dbraw/zinc/38/76/30/343387630.db2.gz AXIPHMHQSGGXSR-UHFFFAOYSA-N 0 0 187.198 2.214 10 0 AEAERN Cc1ccc([C@H](N)c2ccco2)cn1 62950383 343387637 /nfs/dbraw/zinc/38/76/37/343387637.db2.gz HXSOHEQYZRRFCF-NSHDSACASA-N 0 0 188.230 2.031 10 0 AEAERN Cc1ccc(C(=O)C(C)C)cn1 62949427 343387680 /nfs/dbraw/zinc/38/76/80/343387680.db2.gz NBBZHHDOFNSVCE-UHFFFAOYSA-N 0 0 163.220 2.229 10 0 AEAERN Cc1ccc([C@@H]2CCCC2=O)cn1 62950554 343387735 /nfs/dbraw/zinc/38/77/35/343387735.db2.gz QMRBBERUANHALS-JTQLQIEISA-N 0 0 175.231 2.227 10 0 AEAERN Cc1ccc([C@H](O)CC(C)C)cn1 62949556 343387743 /nfs/dbraw/zinc/38/77/43/343387743.db2.gz YCNCJIOCJKOBII-LLVKDONJSA-N 0 0 179.263 2.470 10 0 AEAERN CCC[C@H](O)c1ccc(C)nc1 62949576 343387771 /nfs/dbraw/zinc/38/77/71/343387771.db2.gz RGDTUMWLIOHTCU-JTQLQIEISA-N 0 0 165.236 2.224 10 0 AEAERN Cc1ccc(C(=O)c2cccnc2)cn1 62949419 343387786 /nfs/dbraw/zinc/38/77/86/343387786.db2.gz FOBLPEYWFFMOIR-UHFFFAOYSA-N 0 0 198.225 2.016 10 0 AEAERN CCCC(=O)c1ccc(C)nc1 62949433 343387816 /nfs/dbraw/zinc/38/78/16/343387816.db2.gz ZXNHAISOQSBHHA-UHFFFAOYSA-N 0 0 163.220 2.373 10 0 AEAERN CCC[C@@H](O)c1ccc(C)nc1 62949577 343387886 /nfs/dbraw/zinc/38/78/86/343387886.db2.gz RGDTUMWLIOHTCU-SNVBAGLBSA-N 0 0 165.236 2.224 10 0 AEAERN CCN(CC)c1ccc(NC#N)cc1 62996225 343396182 /nfs/dbraw/zinc/39/61/82/343396182.db2.gz HIEVYZFLSPNAFQ-UHFFFAOYSA-N 0 0 189.262 2.426 10 0 AEAERN N#CNc1ccc(N2CCCC2)cc1 62996073 343396420 /nfs/dbraw/zinc/39/64/20/343396420.db2.gz DRKXCSCNQJKHGW-UHFFFAOYSA-N 0 0 187.246 2.180 10 0 AEAERN CC[C@H](c1ccc(F)cn1)[C@H](C)O 63038057 343397199 /nfs/dbraw/zinc/39/71/99/343397199.db2.gz FOBDMISDIJBJBV-CBAPKCEASA-N 0 0 183.226 2.095 10 0 AEAERN C[C@@H](O)Cc1ccnc2ccccc12 63037775 343397215 /nfs/dbraw/zinc/39/72/15/343397215.db2.gz VGFISOLREQSWGB-SECBINFHSA-N 0 0 187.242 2.158 10 0 AEAERN Cc1cccnc1CC(=O)C(C)C 63023174 343397246 /nfs/dbraw/zinc/39/72/46/343397246.db2.gz NUAHKOZTZAUGHC-UHFFFAOYSA-N 0 0 177.247 2.158 10 0 AEAERN CC[C@@H](c1ccc(F)cn1)[C@@H](C)O 63038054 343397260 /nfs/dbraw/zinc/39/72/60/343397260.db2.gz FOBDMISDIJBJBV-VXNVDRBHSA-N 0 0 183.226 2.095 10 0 AEAERN Cc1cccnc1C[C@@H](O)C(C)(C)C 63038853 343397311 /nfs/dbraw/zinc/39/73/11/343397311.db2.gz QOWYVRUMNZQDTM-LLVKDONJSA-N 0 0 193.290 2.340 10 0 AEAERN CC[C@H](C(C)=O)c1ccc(F)cn1 63024518 343397332 /nfs/dbraw/zinc/39/73/32/343397332.db2.gz JIVGZYSZRNGQIV-SECBINFHSA-N 0 0 181.210 2.303 10 0 AEAERN CSc1cc(N)cc2c1ccn2C 63022825 343397403 /nfs/dbraw/zinc/39/74/03/343397403.db2.gz SQWPLRNSEMBUHM-UHFFFAOYSA-N 0 0 192.287 2.482 10 0 AEAERN CC[C@@H](C(C)=O)c1ccc(F)cn1 63024519 343397426 /nfs/dbraw/zinc/39/74/26/343397426.db2.gz JIVGZYSZRNGQIV-VIFPVBQESA-N 0 0 181.210 2.303 10 0 AEAERN CC[C@@H](c1ccc(F)cn1)[C@H](C)O 63038056 343397467 /nfs/dbraw/zinc/39/74/67/343397467.db2.gz FOBDMISDIJBJBV-IONNQARKSA-N 0 0 183.226 2.095 10 0 AEAERN CC[C@H](c1ccc(F)cn1)[C@@H](C)O 63038055 343397471 /nfs/dbraw/zinc/39/74/71/343397471.db2.gz FOBDMISDIJBJBV-APPZFPTMSA-N 0 0 183.226 2.095 10 0 AEAERN C[C@H](O)Cc1ccnc2ccccc12 63037774 343397477 /nfs/dbraw/zinc/39/74/77/343397477.db2.gz VGFISOLREQSWGB-VIFPVBQESA-N 0 0 187.242 2.158 10 0 AEAERN Cc1cccnc1C[C@H](O)C(C)(C)C 63038852 343397483 /nfs/dbraw/zinc/39/74/83/343397483.db2.gz QOWYVRUMNZQDTM-NSHDSACASA-N 0 0 193.290 2.340 10 0 AEAERN O=Cc1cnc(-c2ccoc2)s1 63046771 343397628 /nfs/dbraw/zinc/39/76/28/343397628.db2.gz DIDRHECHSLIUQO-UHFFFAOYSA-N 0 0 179.200 2.216 10 0 AEAERN CC/C(=C\c1ccoc1)[N+](=O)[O-] 63046849 343397733 /nfs/dbraw/zinc/39/77/33/343397733.db2.gz GOTRXJZBJNRIOY-VMPITWQZSA-N 0 0 167.164 2.307 10 0 AEAERN O=Cc1csc(-c2ccoc2)n1 63046830 343397737 /nfs/dbraw/zinc/39/77/37/343397737.db2.gz ZAVMYTWENVHZIU-UHFFFAOYSA-N 0 0 179.200 2.216 10 0 AEAERN c1cncc(NCc2ccoc2)c1 63046545 343397798 /nfs/dbraw/zinc/39/77/98/343397798.db2.gz ONACSHPQGGYSQJ-UHFFFAOYSA-N 0 0 174.203 2.287 10 0 AEAERN CC[C@H](C)CNc1ncc(C)cn1 63048957 343398732 /nfs/dbraw/zinc/39/87/32/343398732.db2.gz AMTZZCBTYYUMNG-QMMMGPOBSA-N 0 0 179.267 2.243 10 0 AEAERN Cc1nc(-c2ccc(F)c(C)c2)n[nH]1 63057588 343399064 /nfs/dbraw/zinc/39/90/64/343399064.db2.gz YWDGYZQDWIHIAH-UHFFFAOYSA-N 0 0 191.209 2.228 10 0 AEAERN CC1(C)CCCN1c1ncccc1N 63066289 343399848 /nfs/dbraw/zinc/39/98/48/343399848.db2.gz JEZFWSDPUWQUOL-UHFFFAOYSA-N 0 0 191.278 2.043 10 0 AEAERN CC1(C)CCCN1c1ccc(N)nc1 63066309 343399955 /nfs/dbraw/zinc/39/99/55/343399955.db2.gz VSTKLNYVRFWFMR-UHFFFAOYSA-N 0 0 191.278 2.043 10 0 AEAERN CC1(C)CCCN1c1ccc(C=O)o1 63067520 343400567 /nfs/dbraw/zinc/40/05/67/343400567.db2.gz PECVNBFMBQJWTC-UHFFFAOYSA-N 0 0 193.246 2.471 10 0 AEAERN Cc1cc2c(F)ccc(F)c2nc1N 63118073 343402762 /nfs/dbraw/zinc/40/27/62/343402762.db2.gz RTQYIDYOFIXQTC-UHFFFAOYSA-N 0 0 194.184 2.404 10 0 AEAERN c1ccn(CCc2nccs2)c1 63135453 343402933 /nfs/dbraw/zinc/40/29/33/343402933.db2.gz NBPJJZMKANSXOT-UHFFFAOYSA-N 0 0 178.260 2.187 10 0 AEAERN CC1CCC(CN2CCC(=O)C2)CC1 63145680 343402978 /nfs/dbraw/zinc/40/29/78/343402978.db2.gz JBDXZQWPOIBTJH-UHFFFAOYSA-N 0 0 195.306 2.088 10 0 AEAERN Cc1cc2cccc(F)c2nc1N 63118022 343403022 /nfs/dbraw/zinc/40/30/22/343403022.db2.gz PINBJIRLLMLVMJ-UHFFFAOYSA-N 0 0 176.194 2.265 10 0 AEAERN Cc1cc2c(F)cc(F)cc2nc1N 63116736 343403139 /nfs/dbraw/zinc/40/31/39/343403139.db2.gz ZUOXNVZZRCDXSZ-UHFFFAOYSA-N 0 0 194.184 2.404 10 0 AEAERN Cc1cc2cc(F)c(F)cc2nc1N 63118181 343403146 /nfs/dbraw/zinc/40/31/46/343403146.db2.gz YEGYKACKGQHXTG-UHFFFAOYSA-N 0 0 194.184 2.404 10 0 AEAERN Cc1cc2cc(F)cc(F)c2nc1N 63117502 343403154 /nfs/dbraw/zinc/40/31/54/343403154.db2.gz PGJUSPBTBRWCEG-UHFFFAOYSA-N 0 0 194.184 2.404 10 0 AEAERN c1cc(NCc2ccsc2)ncn1 63153151 343403363 /nfs/dbraw/zinc/40/33/63/343403363.db2.gz QTCJTWZVBFQUDO-UHFFFAOYSA-N 0 0 191.259 2.150 10 0 AEAERN c1cnnc(NCc2ccsc2)c1 63153143 343403597 /nfs/dbraw/zinc/40/35/97/343403597.db2.gz IQBVWMWAHWXLMT-UHFFFAOYSA-N 0 0 191.259 2.150 10 0 AEAERN S=c1[nH]ncn1Cc1ccsc1 63153227 343403697 /nfs/dbraw/zinc/40/36/97/343403697.db2.gz NOWRQXLXHJYMEI-UHFFFAOYSA-N 0 0 197.288 2.050 10 0 AEAERN CC(C)Oc1ccc(F)cc1O 64034007 343407003 /nfs/dbraw/zinc/40/70/03/343407003.db2.gz KYAQUFPQYVVZEE-UHFFFAOYSA-N 0 0 170.183 2.319 10 0 AEAERN Cc1nnc(Cc2ccccc2F)o1 64556999 343407710 /nfs/dbraw/zinc/40/77/10/343407710.db2.gz RRRPKSQRYCVPAG-UHFFFAOYSA-N 0 0 192.193 2.108 10 0 AEAERN Cc1cc(N)c2nsnc2c1Cl 64871478 343407847 /nfs/dbraw/zinc/40/78/47/343407847.db2.gz RHICNMPUNYHPHZ-UHFFFAOYSA-N 0 0 199.666 2.235 10 0 AEAERN CCCC[C@H](C)CC(=O)N(C)OC 65743201 343409023 /nfs/dbraw/zinc/40/90/23/343409023.db2.gz VUKKXCDKJYYNRC-VIFPVBQESA-N 0 0 187.283 2.223 10 0 AEAERN CCOc1ccc(CC)cc1N 66140747 343409478 /nfs/dbraw/zinc/40/94/78/343409478.db2.gz VHPZUXGGXAJWOC-UHFFFAOYSA-N 0 0 165.236 2.230 10 0 AEAERN Cc1c(CO)noc1-c1ccccc1 66113144 343409490 /nfs/dbraw/zinc/40/94/90/343409490.db2.gz STELOKFSEIFZCQ-UHFFFAOYSA-N 0 0 189.214 2.142 10 0 AEAERN Cc1nnc(-c2cc(Cl)ccn2)o1 67172073 343410287 /nfs/dbraw/zinc/41/02/87/343410287.db2.gz ZUVQVFIOOPOOQU-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN C[C@H]1C=CCCC1 66377915 343410318 /nfs/dbraw/zinc/41/03/18/343410318.db2.gz UZPWKTCMUADILM-ZETCQYMHSA-N 0 0 96.173 2.363 10 0 AEAERN CN(c1ccc(F)cc1)C1CC1 67173518 343410435 /nfs/dbraw/zinc/41/04/35/343410435.db2.gz ZQVGOFJMFWFXMX-UHFFFAOYSA-N 0 0 165.211 2.424 10 0 AEAERN CC(C)n1cc2ccc(N)cc2n1 68576645 343411820 /nfs/dbraw/zinc/41/18/20/343411820.db2.gz SAJNLSVFANXAGH-UHFFFAOYSA-N 0 0 175.235 2.199 10 0 AEAERN Cc1ccc([C@H]2NC[C@@H](C)O[C@@H]2C)o1 68576053 343411836 /nfs/dbraw/zinc/41/18/36/343411836.db2.gz HXYAVPAYEXEPCU-KKZNHRDASA-N 0 0 195.262 2.026 10 0 AEAERN CCC[C@H](O)c1ccoc1 68890721 343412714 /nfs/dbraw/zinc/41/27/14/343412714.db2.gz ZZIWAJQFLHAJQK-QMMMGPOBSA-N 0 0 140.182 2.113 10 0 AEAERN O=C(CSc1ccccn1)C1CC1 68890638 343412728 /nfs/dbraw/zinc/41/27/28/343412728.db2.gz WJCKSRLRPHJGCH-UHFFFAOYSA-N 0 0 193.271 2.153 10 0 AEAERN O=C(COCc1ccccc1)C1CC1 68902774 343414411 /nfs/dbraw/zinc/41/44/11/343414411.db2.gz PFTMIYZAANLTRE-UHFFFAOYSA-N 0 0 190.242 2.182 10 0 AEAERN O=Cc1nc(-c2cccc(F)c2)c[nH]1 68945613 343415880 /nfs/dbraw/zinc/41/58/80/343415880.db2.gz BIHVFZQVXSDVNZ-UHFFFAOYSA-N 0 0 190.177 2.028 10 0 AEAERN Cc1[nH]c(C=O)nc1-c1cccs1 68945673 343415959 /nfs/dbraw/zinc/41/59/59/343415959.db2.gz ZXMYUEWOLZFIEP-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN Cc1ccc(-c2c[nH]c(C=O)n2)s1 68945683 343416022 /nfs/dbraw/zinc/41/60/22/343416022.db2.gz JMUGZPQCDGVJGP-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN Cc1[nH]c([C@@H](O)C2CC2)c(C)c1C 68944539 343416058 /nfs/dbraw/zinc/41/60/58/343416058.db2.gz VCFKGLPMJUAWCF-NSHDSACASA-N 0 0 179.263 2.383 10 0 AEAERN Cc1[nH]c([C@H](O)C2CC2)c(C)c1C 68944537 343416059 /nfs/dbraw/zinc/41/60/59/343416059.db2.gz VCFKGLPMJUAWCF-LLVKDONJSA-N 0 0 179.263 2.383 10 0 AEAERN Cc1ccccc1-c1c[nH]c(C=O)n1 68945579 343416099 /nfs/dbraw/zinc/41/60/99/343416099.db2.gz TUPJBBNJGSTFLL-UHFFFAOYSA-N 0 0 186.214 2.198 10 0 AEAERN Cc1cn(Cc2ccno2)c(C)c1C 68944332 343416174 /nfs/dbraw/zinc/41/61/74/343416174.db2.gz XMNAVUAUUXWINA-UHFFFAOYSA-N 0 0 190.246 2.450 10 0 AEAERN CC(C)(O)c1cncc2ccccc12 68949034 343416488 /nfs/dbraw/zinc/41/64/88/343416488.db2.gz AJJLJHWYNOZBGL-UHFFFAOYSA-N 0 0 187.242 2.462 10 0 AEAERN C[C@@H]1CCC[C@](O)(C2CCOCC2)C1 68955897 343416902 /nfs/dbraw/zinc/41/69/02/343416902.db2.gz LUQFAPOJZROSGZ-ZYHUDNBSSA-N 0 0 198.306 2.354 10 0 AEAERN CC1CCC(O)(C2CCOCC2)CC1 68955916 343417014 /nfs/dbraw/zinc/41/70/14/343417014.db2.gz KEQWAHWODKJFBV-UHFFFAOYSA-N 0 0 198.306 2.354 10 0 AEAERN C[C@H]1CCC[C@](O)(C2CCOCC2)C1 68955903 343417026 /nfs/dbraw/zinc/41/70/26/343417026.db2.gz LUQFAPOJZROSGZ-CMPLNLGQSA-N 0 0 198.306 2.354 10 0 AEAERN C[C@@H]1CCCC[C@]1(O)C1CCOCC1 68955934 343417145 /nfs/dbraw/zinc/41/71/45/343417145.db2.gz QWQAYPXNQWMMJH-ZYHUDNBSSA-N 0 0 198.306 2.354 10 0 AEAERN C[C@H]1CCCC[C@@]1(O)C1CCOCC1 68955943 343417122 /nfs/dbraw/zinc/41/71/22/343417122.db2.gz QWQAYPXNQWMMJH-JQWIXIFHSA-N 0 0 198.306 2.354 10 0 AEAERN C[C@H]1CCC[C@@](O)(C2CCOCC2)C1 68955909 343417194 /nfs/dbraw/zinc/41/71/94/343417194.db2.gz LUQFAPOJZROSGZ-JQWIXIFHSA-N 0 0 198.306 2.354 10 0 AEAERN CC[C@](O)(C(C)C)C1CCOCC1 68956104 343417257 /nfs/dbraw/zinc/41/72/57/343417257.db2.gz WISNWHKZZXBWNW-NSHDSACASA-N 0 0 186.295 2.210 10 0 AEAERN C[C@@H]1CCC[C@@](O)(C2CCOCC2)C1 68955906 343417260 /nfs/dbraw/zinc/41/72/60/343417260.db2.gz LUQFAPOJZROSGZ-PWSUYJOCSA-N 0 0 198.306 2.354 10 0 AEAERN OC1(C2CCOCC2)CCCCCC1 68955951 343417261 /nfs/dbraw/zinc/41/72/61/343417261.db2.gz UQTSIJFHGUHUDD-UHFFFAOYSA-N 0 0 198.306 2.498 10 0 AEAERN C[C@H]1CCCC[C@]1(O)C1CCOCC1 68955939 343417303 /nfs/dbraw/zinc/41/73/03/343417303.db2.gz QWQAYPXNQWMMJH-CMPLNLGQSA-N 0 0 198.306 2.354 10 0 AEAERN C[C@@H]1CCCC[C@@]1(O)C1CCOCC1 68955941 343417344 /nfs/dbraw/zinc/41/73/44/343417344.db2.gz QWQAYPXNQWMMJH-PWSUYJOCSA-N 0 0 198.306 2.354 10 0 AEAERN Cc1ccc([C@H](O)C2CCOCC2)o1 68956205 343417497 /nfs/dbraw/zinc/41/74/97/343417497.db2.gz DZJGYHGOKFONIL-LLVKDONJSA-N 0 0 196.246 2.048 10 0 AEAERN O[C@@H](C1CCOCC1)[C@H]1CC=CCC1 68956349 343417466 /nfs/dbraw/zinc/41/74/66/343417466.db2.gz LXVYYTBGRUBYBW-CMPLNLGQSA-N 0 0 196.290 2.130 10 0 AEAERN CC(C)(C)C(=O)C1CCOCC1 68956609 343417545 /nfs/dbraw/zinc/41/75/45/343417545.db2.gz CLDNXQLDFSYGPH-UHFFFAOYSA-N 0 0 170.252 2.028 10 0 AEAERN O=C(C1CCCC1)C1CCOCC1 68956628 343417560 /nfs/dbraw/zinc/41/75/60/343417560.db2.gz NSMFFRQCXASNBQ-UHFFFAOYSA-N 0 0 182.263 2.172 10 0 AEAERN CC[C@H](C)C(=O)C1CCOCC1 68956734 343417570 /nfs/dbraw/zinc/41/75/70/343417570.db2.gz DUOMRYCOCWIVFZ-QMMMGPOBSA-N 0 0 170.252 2.028 10 0 AEAERN O[C@H](C1CCOCC1)[C@H]1CC=CCC1 68956344 343417584 /nfs/dbraw/zinc/41/75/84/343417584.db2.gz LXVYYTBGRUBYBW-JQWIXIFHSA-N 0 0 196.290 2.130 10 0 AEAERN Cc1ccc([C@@H](O)C2CCOCC2)o1 68956209 343417619 /nfs/dbraw/zinc/41/76/19/343417619.db2.gz DZJGYHGOKFONIL-NSHDSACASA-N 0 0 196.246 2.048 10 0 AEAERN CC[C@@H](C)C(=O)C1CCOCC1 68956731 343417622 /nfs/dbraw/zinc/41/76/22/343417622.db2.gz DUOMRYCOCWIVFZ-MRVPVSSYSA-N 0 0 170.252 2.028 10 0 AEAERN O[C@H](C1CCOCC1)[C@@H]1CC=CCC1 68956341 343417633 /nfs/dbraw/zinc/41/76/33/343417633.db2.gz LXVYYTBGRUBYBW-PWSUYJOCSA-N 0 0 196.290 2.130 10 0 AEAERN O[C@@H](C1CCOCC1)[C@@H]1CC=CCC1 68956347 343417660 /nfs/dbraw/zinc/41/76/60/343417660.db2.gz LXVYYTBGRUBYBW-ZYHUDNBSSA-N 0 0 196.290 2.130 10 0 AEAERN O=C1CCCC[C@@H]1C1CCOCC1 68958292 343417984 /nfs/dbraw/zinc/41/79/84/343417984.db2.gz LTCYTITWVHUTKV-SNVBAGLBSA-N 0 0 182.263 2.172 10 0 AEAERN O=C1CCCC[C@H]1C1CCOCC1 68958288 343418077 /nfs/dbraw/zinc/41/80/77/343418077.db2.gz LTCYTITWVHUTKV-JTQLQIEISA-N 0 0 182.263 2.172 10 0 AEAERN Cc1ccc([C@H](O)c2ccoc2)o1 68979036 343418303 /nfs/dbraw/zinc/41/83/03/343418303.db2.gz WQGMRWJJOBELEY-SNVBAGLBSA-N 0 0 178.187 2.263 10 0 AEAERN CC[C@H](C)[C@H](O)c1ccco1 68979210 343418315 /nfs/dbraw/zinc/41/83/15/343418315.db2.gz GDHSUTBMPQZJOV-CBAPKCEASA-N 0 0 154.209 2.359 10 0 AEAERN CCC(O)(CC)c1ccoc1 68978845 343418324 /nfs/dbraw/zinc/41/83/24/343418324.db2.gz CKBBVHHMBZERFJ-UHFFFAOYSA-N 0 0 154.209 2.287 10 0 AEAERN CC[C@H](C)[C@@H](O)c1ccoc1 68979206 343418349 /nfs/dbraw/zinc/41/83/49/343418349.db2.gz HHJIERFYWVQDEO-IONNQARKSA-N 0 0 154.209 2.359 10 0 AEAERN O[C@@H](c1ccoc1)c1ccsc1 68979079 343418362 /nfs/dbraw/zinc/41/83/62/343418362.db2.gz IMWILTRUQNYCDM-VIFPVBQESA-N 0 0 180.228 2.423 10 0 AEAERN CC[C@@H](C)[C@H](O)c1ccoc1 68979201 343418368 /nfs/dbraw/zinc/41/83/68/343418368.db2.gz HHJIERFYWVQDEO-APPZFPTMSA-N 0 0 154.209 2.359 10 0 AEAERN CC(C)[C@@](C)(O)c1ccoc1 68978850 343418370 /nfs/dbraw/zinc/41/83/70/343418370.db2.gz TZZQQUIUYIUAEC-SECBINFHSA-N 0 0 154.209 2.143 10 0 AEAERN Cc1ccc([C@@H](O)c2ccoc2)o1 68979037 343418385 /nfs/dbraw/zinc/41/83/85/343418385.db2.gz WQGMRWJJOBELEY-JTQLQIEISA-N 0 0 178.187 2.263 10 0 AEAERN CC[C@@H](C)[C@@H](O)c1ccoc1 68979204 343418445 /nfs/dbraw/zinc/41/84/45/343418445.db2.gz HHJIERFYWVQDEO-VXNVDRBHSA-N 0 0 154.209 2.359 10 0 AEAERN CC(C)[C@](C)(O)c1ccco1 68978851 343418463 /nfs/dbraw/zinc/41/84/63/343418463.db2.gz SZPHDAKUSWAXBG-VIFPVBQESA-N 0 0 154.209 2.143 10 0 AEAERN CC(C)[C@](C)(O)c1ccoc1 68978848 343418475 /nfs/dbraw/zinc/41/84/75/343418475.db2.gz TZZQQUIUYIUAEC-VIFPVBQESA-N 0 0 154.209 2.143 10 0 AEAERN CC[C@H](C)[C@@H](O)c1ccco1 68979214 343418484 /nfs/dbraw/zinc/41/84/84/343418484.db2.gz GDHSUTBMPQZJOV-IONNQARKSA-N 0 0 154.209 2.359 10 0 AEAERN CC[C@H](C)[C@H](O)c1ccoc1 68979202 343418487 /nfs/dbraw/zinc/41/84/87/343418487.db2.gz HHJIERFYWVQDEO-CBAPKCEASA-N 0 0 154.209 2.359 10 0 AEAERN CC[C@@H](C)[C@H](O)c1ccco1 68979207 343418515 /nfs/dbraw/zinc/41/85/15/343418515.db2.gz GDHSUTBMPQZJOV-APPZFPTMSA-N 0 0 154.209 2.359 10 0 AEAERN O[C@H](c1ccoc1)c1ccsc1 68979081 343418534 /nfs/dbraw/zinc/41/85/34/343418534.db2.gz IMWILTRUQNYCDM-SECBINFHSA-N 0 0 180.228 2.423 10 0 AEAERN CC(C)[C@@](C)(O)c1ccco1 68978853 343418538 /nfs/dbraw/zinc/41/85/38/343418538.db2.gz SZPHDAKUSWAXBG-SECBINFHSA-N 0 0 154.209 2.143 10 0 AEAERN CC[C@@H](C)[C@@H](O)c1ccco1 68979211 343418546 /nfs/dbraw/zinc/41/85/46/343418546.db2.gz GDHSUTBMPQZJOV-VXNVDRBHSA-N 0 0 154.209 2.359 10 0 AEAERN Cc1cccc([C@H](N)c2ccco2)n1 68980193 343418651 /nfs/dbraw/zinc/41/86/51/343418651.db2.gz WQROCKLNRPPLCR-NSHDSACASA-N 0 0 188.230 2.031 10 0 AEAERN O=C(CC(F)(F)F)c1ccoc1 68979393 343418664 /nfs/dbraw/zinc/41/86/64/343418664.db2.gz DYWWCLDBPFUDPP-UHFFFAOYSA-N 0 0 178.109 2.415 10 0 AEAERN Cc1cccnc1[C@H](N)c1ccco1 68979926 343418686 /nfs/dbraw/zinc/41/86/86/343418686.db2.gz YAQZRBHZJMKACF-SNVBAGLBSA-N 0 0 188.230 2.031 10 0 AEAERN Cc1cccnc1[C@@H](O)c1ccoc1 68979502 343418728 /nfs/dbraw/zinc/41/87/28/343418728.db2.gz VDNYYFVPVVMJOZ-NSHDSACASA-N 0 0 189.214 2.065 10 0 AEAERN O=C(Cc1ccncc1)c1ccco1 68979418 343418750 /nfs/dbraw/zinc/41/87/50/343418750.db2.gz XQSYGQZXBWJMJX-UHFFFAOYSA-N 0 0 187.198 2.100 10 0 AEAERN Cc1cccc([C@H](O)c2ccoc2)n1 68979603 343418756 /nfs/dbraw/zinc/41/87/56/343418756.db2.gz KYERSNRLTYYSNE-LLVKDONJSA-N 0 0 189.214 2.065 10 0 AEAERN Cc1cccc([C@@H](O)c2ccco2)n1 68979608 343418760 /nfs/dbraw/zinc/41/87/60/343418760.db2.gz CYWYSQKHZYFFKB-LLVKDONJSA-N 0 0 189.214 2.065 10 0 AEAERN Cc1cccc(C(=O)c2ccoc2)n1 68979444 343418769 /nfs/dbraw/zinc/41/87/69/343418769.db2.gz NVLDKXWKJRTQKA-UHFFFAOYSA-N 0 0 187.198 2.214 10 0 AEAERN Cc1cccnc1[C@H](N)c1ccoc1 68979923 343418816 /nfs/dbraw/zinc/41/88/16/343418816.db2.gz LALJSWROAGAKKC-SNVBAGLBSA-N 0 0 188.230 2.031 10 0 AEAERN Cc1cccc([C@@H](N)c2ccco2)n1 68980194 343418857 /nfs/dbraw/zinc/41/88/57/343418857.db2.gz WQROCKLNRPPLCR-LLVKDONJSA-N 0 0 188.230 2.031 10 0 AEAERN Cc1cccnc1C(=O)c1ccoc1 68979407 343418863 /nfs/dbraw/zinc/41/88/63/343418863.db2.gz GATHGBCGIBJVKT-UHFFFAOYSA-N 0 0 187.198 2.214 10 0 AEAERN Cc1cccc([C@H](O)c2ccco2)n1 68979606 343418880 /nfs/dbraw/zinc/41/88/80/343418880.db2.gz CYWYSQKHZYFFKB-NSHDSACASA-N 0 0 189.214 2.065 10 0 AEAERN O=C(Cc1cccnc1)c1ccoc1 68979416 343418887 /nfs/dbraw/zinc/41/88/87/343418887.db2.gz XXLJIVCATQUZDO-UHFFFAOYSA-N 0 0 187.198 2.100 10 0 AEAERN O=C(Cc1cccnc1)c1ccco1 68979415 343418906 /nfs/dbraw/zinc/41/89/06/343418906.db2.gz PQLZCROJTPBMOJ-UHFFFAOYSA-N 0 0 187.198 2.100 10 0 AEAERN Cc1cccc([C@@H](O)c2ccoc2)n1 68979604 343418916 /nfs/dbraw/zinc/41/89/16/343418916.db2.gz KYERSNRLTYYSNE-NSHDSACASA-N 0 0 189.214 2.065 10 0 AEAERN Cc1cccnc1[C@@H](O)c1ccco1 68979506 343418985 /nfs/dbraw/zinc/41/89/85/343418985.db2.gz UKMLDIQWLFLWOM-NSHDSACASA-N 0 0 189.214 2.065 10 0 AEAERN Cc1cccnc1[C@H](O)c1ccoc1 68979500 343419002 /nfs/dbraw/zinc/41/90/02/343419002.db2.gz VDNYYFVPVVMJOZ-LLVKDONJSA-N 0 0 189.214 2.065 10 0 AEAERN Cc1cccnc1[C@@H](N)c1ccoc1 68979924 343419050 /nfs/dbraw/zinc/41/90/50/343419050.db2.gz LALJSWROAGAKKC-JTQLQIEISA-N 0 0 188.230 2.031 10 0 AEAERN O=C1CCC[C@H]1c1ccoc1 68980354 343419180 /nfs/dbraw/zinc/41/91/80/343419180.db2.gz SJQMQMOZGXQHTH-QMMMGPOBSA-N 0 0 150.177 2.116 10 0 AEAERN O=C1CCC[C@@H]1c1ccoc1 68980356 343419361 /nfs/dbraw/zinc/41/93/61/343419361.db2.gz SJQMQMOZGXQHTH-MRVPVSSYSA-N 0 0 150.177 2.116 10 0 AEAERN CC[C@@H](C)c1cn2cc(N)ccc2n1 68985118 343419653 /nfs/dbraw/zinc/41/96/53/343419653.db2.gz IRGVPOHSSMPEOJ-MRVPVSSYSA-N 0 0 189.262 2.430 10 0 AEAERN CC[C@H](C)c1cn2cc(N)ccc2n1 68985121 343419725 /nfs/dbraw/zinc/41/97/25/343419725.db2.gz IRGVPOHSSMPEOJ-QMMMGPOBSA-N 0 0 189.262 2.430 10 0 AEAERN CSCCNc1ccc(N)cc1C 68996050 343419957 /nfs/dbraw/zinc/41/99/57/343419957.db2.gz XBOILCFJRHJONS-UHFFFAOYSA-N 0 0 196.319 2.352 10 0 AEAERN CSCCNc1ccc(C)cc1N 68996009 343420029 /nfs/dbraw/zinc/42/00/29/343420029.db2.gz BFRSYKMBYGERKO-UHFFFAOYSA-N 0 0 196.319 2.352 10 0 AEAERN CCC(C)(C)N(C)c1ccc(N)nc1 68995344 343420087 /nfs/dbraw/zinc/42/00/87/343420087.db2.gz VJGBQVQTBAWXIE-UHFFFAOYSA-N 0 0 193.294 2.289 10 0 AEAERN CSCCNc1cccc(N)c1C 68995852 343420111 /nfs/dbraw/zinc/42/01/11/343420111.db2.gz LKCAYRGAKNOPFY-UHFFFAOYSA-N 0 0 196.319 2.352 10 0 AEAERN CSCCNc1cccc(N)c1 68996134 343420172 /nfs/dbraw/zinc/42/01/72/343420172.db2.gz SEZUHOAKKPMZKU-UHFFFAOYSA-N 0 0 182.292 2.044 10 0 AEAERN CSCCNc1ccc(C)c(N)c1 68995832 343420289 /nfs/dbraw/zinc/42/02/89/343420289.db2.gz YHNLHIAEMOKAAL-UHFFFAOYSA-N 0 0 196.319 2.352 10 0 AEAERN CSCCNc1cc(N)ccc1C 68996150 343420294 /nfs/dbraw/zinc/42/02/94/343420294.db2.gz AQRJVKJSUCUYRI-UHFFFAOYSA-N 0 0 196.319 2.352 10 0 AEAERN Cn1nccc1[C@@H](O)C1CCCCC1 69019342 343421052 /nfs/dbraw/zinc/42/10/52/343421052.db2.gz CIDZKABOVXQESK-NSHDSACASA-N 0 0 194.278 2.034 10 0 AEAERN CSCCn1c(C)ccc1C 69014741 343421054 /nfs/dbraw/zinc/42/10/54/343421054.db2.gz ZHILYSLEYHUZRJ-UHFFFAOYSA-N 0 0 169.293 2.468 10 0 AEAERN Cn1nccc1[C@H](O)C1CCCCC1 69019339 343421321 /nfs/dbraw/zinc/42/13/21/343421321.db2.gz CIDZKABOVXQESK-LLVKDONJSA-N 0 0 194.278 2.034 10 0 AEAERN Cn1nccc1[C@H]1CCCCCC1=O 69021934 343421897 /nfs/dbraw/zinc/42/18/97/343421897.db2.gz YASVVCBHNPGOMI-SECBINFHSA-N 0 0 192.262 2.037 10 0 AEAERN CCn1nccc1-c1cccc(N)c1 69022320 343421959 /nfs/dbraw/zinc/42/19/59/343421959.db2.gz ZDHAKSFWMMIPRR-UHFFFAOYSA-N 0 0 187.246 2.152 10 0 AEAERN Cn1nccc1[C@@H]1CCCCCC1=O 69021930 343421975 /nfs/dbraw/zinc/42/19/75/343421975.db2.gz YASVVCBHNPGOMI-VIFPVBQESA-N 0 0 192.262 2.037 10 0 AEAERN CCn1nccc1C(=O)C(C)(C)C 69024127 343422362 /nfs/dbraw/zinc/42/23/62/343422362.db2.gz JAVBKXZPMWQTLF-UHFFFAOYSA-N 0 0 180.251 2.132 10 0 AEAERN CCn1nccc1[C@@H]1CCCCC1=O 69026748 343422507 /nfs/dbraw/zinc/42/25/07/343422507.db2.gz QHYNDCSBYVNQNA-VIFPVBQESA-N 0 0 192.262 2.130 10 0 AEAERN Cn1ccnc1[C@@H]1CCCCCC1=O 69030058 343423028 /nfs/dbraw/zinc/42/30/28/343423028.db2.gz YBLGDUMVCUAPLP-SECBINFHSA-N 0 0 192.262 2.037 10 0 AEAERN Cn1ccnc1[C@H]1CCCCCC1=O 69030061 343423061 /nfs/dbraw/zinc/42/30/61/343423061.db2.gz YBLGDUMVCUAPLP-VIFPVBQESA-N 0 0 192.262 2.037 10 0 AEAERN CCn1ccnc1C(=O)C(C)(C)C 69032214 343423232 /nfs/dbraw/zinc/42/32/32/343423232.db2.gz FHYGCMVLLGPTDW-UHFFFAOYSA-N 0 0 180.251 2.132 10 0 AEAERN CCn1ccnc1-c1ccccc1N 69030570 343423273 /nfs/dbraw/zinc/42/32/73/343423273.db2.gz OYEKTADTYXDSOJ-UHFFFAOYSA-N 0 0 187.246 2.152 10 0 AEAERN CCn1ccnc1C1(O)CCCCC1 69030807 343423476 /nfs/dbraw/zinc/42/34/76/343423476.db2.gz IYRFDZRGCUYZMX-UHFFFAOYSA-N 0 0 194.278 2.055 10 0 AEAERN CCn1ccnc1[C@H]1CCCCC1=O 69048536 343423362 /nfs/dbraw/zinc/42/33/62/343423362.db2.gz JFSLRDNQFDGLFP-VIFPVBQESA-N 0 0 192.262 2.130 10 0 AEAERN CCn1ccnc1[C@H](O)C1CCCC1 69031785 343423422 /nfs/dbraw/zinc/42/34/22/343423422.db2.gz YBEVDDZGVSICSO-SNVBAGLBSA-N 0 0 194.278 2.127 10 0 AEAERN CCn1ccnc1[C@@H]1CCCCC1=O 69048535 343423431 /nfs/dbraw/zinc/42/34/31/343423431.db2.gz JFSLRDNQFDGLFP-SECBINFHSA-N 0 0 192.262 2.130 10 0 AEAERN CCn1ccnc1[C@@H](O)C1CCCC1 69031787 343423587 /nfs/dbraw/zinc/42/35/87/343423587.db2.gz YBEVDDZGVSICSO-JTQLQIEISA-N 0 0 194.278 2.127 10 0 AEAERN OC1(c2cnccn2)CCCCCC1 69048825 343423872 /nfs/dbraw/zinc/42/38/72/343423872.db2.gz WSINOHBGLNLIPA-UHFFFAOYSA-N 0 0 192.262 2.018 10 0 AEAERN Cc1cc(-c2cnccn2)ccc1N 69048753 343423887 /nfs/dbraw/zinc/42/38/87/343423887.db2.gz HCFQSEKBLFELBU-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1ccc(N)c(-c2cnccn2)c1 69048739 343424010 /nfs/dbraw/zinc/42/40/10/343424010.db2.gz XSAWEPSMHGOWEC-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CC(C)(C)CC(=O)c1cnccn1 69049104 343424073 /nfs/dbraw/zinc/42/40/73/343424073.db2.gz ILCFANQETMSLIY-UHFFFAOYSA-N 0 0 178.235 2.096 10 0 AEAERN CC(=O)c1cccc(-c2cnccn2)c1 69048770 343424076 /nfs/dbraw/zinc/42/40/76/343424076.db2.gz XHHHYVXIIRYVAY-UHFFFAOYSA-N 0 0 198.225 2.346 10 0 AEAERN Cc1cc(N)ccc1-c1cnccn1 69048764 343424100 /nfs/dbraw/zinc/42/41/00/343424100.db2.gz WCWMCUBKXXSXCP-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN COC(=N)c1cccc2cccnc12 69050832 343425198 /nfs/dbraw/zinc/42/51/98/343425198.db2.gz NXYKXNHHKAHURZ-UHFFFAOYSA-N 0 0 186.214 2.207 10 0 AEAERN CC[C@@H](O)c1[nH]c(C)c(C)c1C 69233883 343425485 /nfs/dbraw/zinc/42/54/85/343425485.db2.gz UYFPXGXXGFVBAY-SECBINFHSA-N 0 0 167.252 2.383 10 0 AEAERN CC[C@H](O)c1[nH]c(C)c(C)c1C 69233882 343425496 /nfs/dbraw/zinc/42/54/96/343425496.db2.gz UYFPXGXXGFVBAY-VIFPVBQESA-N 0 0 167.252 2.383 10 0 AEAERN Nc1ccccc1S[C@@H]1CCOC1 69623210 343426994 /nfs/dbraw/zinc/42/69/94/343426994.db2.gz XWZJTYNNTIIPTE-MRVPVSSYSA-N 0 0 195.287 2.150 10 0 AEAERN Nc1ccccc1S[C@H]1CCOC1 69623213 343427166 /nfs/dbraw/zinc/42/71/66/343427166.db2.gz XWZJTYNNTIIPTE-QMMMGPOBSA-N 0 0 195.287 2.150 10 0 AEAERN CC[C@H]1CCCC[C@@H]1CO 69631298 343428373 /nfs/dbraw/zinc/42/83/73/343428373.db2.gz PFQQPJMDCDHXJZ-DTWKUNHWSA-N 0 0 142.242 2.195 10 0 AEAERN CC[C@@H]1CCCC[C@H]1CO 69631300 343428380 /nfs/dbraw/zinc/42/83/80/343428380.db2.gz PFQQPJMDCDHXJZ-BDAKNGLRSA-N 0 0 142.242 2.195 10 0 AEAERN CCn1nccc1[C@H](O)C1CCCC1 69631255 343428457 /nfs/dbraw/zinc/42/84/57/343428457.db2.gz QXXIKNZPAOZEEM-LLVKDONJSA-N 0 0 194.278 2.127 10 0 AEAERN CC[C@@H]1CCCC[C@@H]1CO 69631295 343428493 /nfs/dbraw/zinc/42/84/93/343428493.db2.gz PFQQPJMDCDHXJZ-RKDXNWHRSA-N 0 0 142.242 2.195 10 0 AEAERN CCCC(=O)c1ccoc1 69630632 343428548 /nfs/dbraw/zinc/42/85/48/343428548.db2.gz HIUSBIIDCDERRQ-UHFFFAOYSA-N 0 0 138.166 2.262 10 0 AEAERN CC[C@H]1CCCC[C@H]1CO 69631302 343428662 /nfs/dbraw/zinc/42/86/62/343428662.db2.gz PFQQPJMDCDHXJZ-IUCAKERBSA-N 0 0 142.242 2.195 10 0 AEAERN CCn1nccc1[C@@H](O)C1CCCC1 69631256 343428754 /nfs/dbraw/zinc/42/87/54/343428754.db2.gz QXXIKNZPAOZEEM-NSHDSACASA-N 0 0 194.278 2.127 10 0 AEAERN Cc1ccsc1-c1csc(=O)[nH]1 69636545 343429567 /nfs/dbraw/zinc/42/95/67/343429567.db2.gz LIHPWPSJGBYTEN-UHFFFAOYSA-N 0 0 197.284 2.473 10 0 AEAERN CNc1cc(-c2sccc2C)[nH]n1 69637320 343429570 /nfs/dbraw/zinc/42/95/70/343429570.db2.gz AZFYDBMFSWUFFI-UHFFFAOYSA-N 0 0 193.275 2.488 10 0 AEAERN Cc1ccsc1-c1n[nH]cc1C=O 69636203 343429620 /nfs/dbraw/zinc/42/96/20/343429620.db2.gz NALORJXISOLJRI-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN Cc1ccsc1-c1coc(N)n1 69637195 343429736 /nfs/dbraw/zinc/42/97/36/343429736.db2.gz JJHKPWZURFAXIG-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN Cc1ccsc1-c1cc(C=O)n[nH]1 69637264 343429799 /nfs/dbraw/zinc/42/97/99/343429799.db2.gz OYZPVGWMFLVGCC-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN Cc1ccsc1-c1c[nH]c(C=O)n1 69637362 343430081 /nfs/dbraw/zinc/43/00/81/343430081.db2.gz HDNVKHLFGHRSBA-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN Cc1ccc(C(=O)c2ccncn2)cc1 69638999 343430652 /nfs/dbraw/zinc/43/06/52/343430652.db2.gz CTASQIXHGWHLEV-UHFFFAOYSA-N 0 0 198.225 2.016 10 0 AEAERN Cc1ccccc1C(=O)c1ccncn1 69638977 343430788 /nfs/dbraw/zinc/43/07/88/343430788.db2.gz GZSADKBUAVDPLN-UHFFFAOYSA-N 0 0 198.225 2.016 10 0 AEAERN O[C@@H](c1cccc(F)c1F)C1CC1 69640400 343430899 /nfs/dbraw/zinc/43/08/99/343430899.db2.gz YBQPQMIWUJVVKA-SNVBAGLBSA-N 0 0 184.185 2.408 10 0 AEAERN Cc1cccc(C(=O)c2ccncn2)c1 69638997 343430941 /nfs/dbraw/zinc/43/09/41/343430941.db2.gz ORIPIENZKPGQPU-UHFFFAOYSA-N 0 0 198.225 2.016 10 0 AEAERN O[C@H](c1cccc(F)c1F)C1CC1 69640402 343431050 /nfs/dbraw/zinc/43/10/50/343431050.db2.gz YBQPQMIWUJVVKA-JTQLQIEISA-N 0 0 184.185 2.408 10 0 AEAERN C[C@@H](CC1CC1)Nc1ccc(N)nc1 69663457 343431322 /nfs/dbraw/zinc/43/13/22/343431322.db2.gz CJXOQSOSHHLCTK-QMMMGPOBSA-N 0 0 191.278 2.264 10 0 AEAERN C[C@H](CC1CC1)Nc1ccc(N)nc1 69663460 343431475 /nfs/dbraw/zinc/43/14/75/343431475.db2.gz CJXOQSOSHHLCTK-MRVPVSSYSA-N 0 0 191.278 2.264 10 0 AEAERN Cc1cc(N[C@H](C)CC2CC2)ncn1 69667234 343431685 /nfs/dbraw/zinc/43/16/85/343431685.db2.gz RTOUUBPKFUUDON-SECBINFHSA-N 0 0 191.278 2.386 10 0 AEAERN C[C@H](CC1CC1)n1cn[nH]c1=S 69667742 343431719 /nfs/dbraw/zinc/43/17/19/343431719.db2.gz QXLAQJNAEWRRRG-ZCFIWIBFSA-N 0 0 183.280 2.302 10 0 AEAERN Cc1ccnc(N[C@@H](C)CC2CC2)n1 69667045 343431731 /nfs/dbraw/zinc/43/17/31/343431731.db2.gz OJZFZRTYXWIFML-VIFPVBQESA-N 0 0 191.278 2.386 10 0 AEAERN Cc1ccnc(N[C@H](C)CC2CC2)n1 69667048 343431777 /nfs/dbraw/zinc/43/17/77/343431777.db2.gz OJZFZRTYXWIFML-SECBINFHSA-N 0 0 191.278 2.386 10 0 AEAERN C[C@@H](CC1CC1)Nc1cnccn1 69666977 343431781 /nfs/dbraw/zinc/43/17/81/343431781.db2.gz ANJMXMUEFBYLQC-QMMMGPOBSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@H](CC1CC1)Nc1cnccn1 69666980 343431864 /nfs/dbraw/zinc/43/18/64/343431864.db2.gz ANJMXMUEFBYLQC-MRVPVSSYSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@@H](CC1CC1)n1cn[nH]c1=S 69667738 343431876 /nfs/dbraw/zinc/43/18/76/343431876.db2.gz QXLAQJNAEWRRRG-LURJTMIESA-N 0 0 183.280 2.302 10 0 AEAERN Cc1cc(N[C@@H](C)CC2CC2)ncn1 69667222 343431908 /nfs/dbraw/zinc/43/19/08/343431908.db2.gz RTOUUBPKFUUDON-VIFPVBQESA-N 0 0 191.278 2.386 10 0 AEAERN C[C@H](CC1CC1)n1cnnc1Cl 69670307 343431984 /nfs/dbraw/zinc/43/19/84/343431984.db2.gz XYXPGVZAVVXIOG-ZCFIWIBFSA-N 0 0 185.658 2.293 10 0 AEAERN C[C@@H](CC1CC1)n1cnnc1Cl 69670305 343432016 /nfs/dbraw/zinc/43/20/16/343432016.db2.gz XYXPGVZAVVXIOG-LURJTMIESA-N 0 0 185.658 2.293 10 0 AEAERN CCc1nc([C@H](C)C(C)C)n[nH]1 69688009 343434569 /nfs/dbraw/zinc/43/45/69/343434569.db2.gz VGBKMHBMQOQUPO-SSDOTTSWSA-N 0 0 167.256 2.127 10 0 AEAERN Cc1c([C@H](C)C(C)C)noc1N 69687874 343434669 /nfs/dbraw/zinc/43/46/69/343434669.db2.gz YDWIPYVYRSVRHL-ZCFIWIBFSA-N 0 0 168.240 2.325 10 0 AEAERN Cc1c([C@@H](C)C(C)C)noc1N 69687872 343434767 /nfs/dbraw/zinc/43/47/67/343434767.db2.gz YDWIPYVYRSVRHL-LURJTMIESA-N 0 0 168.240 2.325 10 0 AEAERN CC(C)[C@@H](C)[C@H](O)c1ccc[nH]1 69689719 343435096 /nfs/dbraw/zinc/43/50/96/343435096.db2.gz RTSDPPWSAQDDQV-SCZZXKLOSA-N 0 0 167.252 2.340 10 0 AEAERN CC(C)[C@H](C)[C@H](O)c1ccc[nH]1 69689722 343435103 /nfs/dbraw/zinc/43/51/03/343435103.db2.gz RTSDPPWSAQDDQV-WPRPVWTQSA-N 0 0 167.252 2.340 10 0 AEAERN CC(C)[C@@H](C)[C@@H](O)c1ccc[nH]1 69689726 343435112 /nfs/dbraw/zinc/43/51/12/343435112.db2.gz RTSDPPWSAQDDQV-PSASIEDQSA-N 0 0 167.252 2.340 10 0 AEAERN CC(C)[C@H](C)[C@@H](O)c1ccc[nH]1 69689732 343435213 /nfs/dbraw/zinc/43/52/13/343435213.db2.gz RTSDPPWSAQDDQV-WCBMZHEXSA-N 0 0 167.252 2.340 10 0 AEAERN O[C@@H](c1c(F)cccc1F)C1CC1 69758873 343438740 /nfs/dbraw/zinc/43/87/40/343438740.db2.gz DJULKNDMSZEFBX-SNVBAGLBSA-N 0 0 184.185 2.408 10 0 AEAERN O[C@H](c1c(F)cccc1F)C1CC1 69758875 343438779 /nfs/dbraw/zinc/43/87/79/343438779.db2.gz DJULKNDMSZEFBX-JTQLQIEISA-N 0 0 184.185 2.408 10 0 AEAERN Nc1nn(CC2CCCC2)cc1Cl 69759595 343438874 /nfs/dbraw/zinc/43/88/74/343438874.db2.gz VYHPPWLTFGYHIE-UHFFFAOYSA-N 0 0 199.685 2.309 10 0 AEAERN CC(C)(O)c1c(F)cccc1F 69758820 343439041 /nfs/dbraw/zinc/43/90/41/343439041.db2.gz UJWAUSOIPNQBDB-UHFFFAOYSA-N 0 0 172.174 2.192 10 0 AEAERN COc1ccc(N)cc1OC(C)(C)C 69760530 343439252 /nfs/dbraw/zinc/43/92/52/343439252.db2.gz NKDRRTUGTSLPOH-UHFFFAOYSA-N 0 0 195.262 2.455 10 0 AEAERN Cc1ccc(OC(C)(C)C)c(N)n1 69760542 343439358 /nfs/dbraw/zinc/43/93/58/343439358.db2.gz HKECJZGKJNKAOI-UHFFFAOYSA-N 0 0 180.251 2.150 10 0 AEAERN COc1ccc(OC(C)(C)C)c(N)c1 69760529 343439547 /nfs/dbraw/zinc/43/95/47/343439547.db2.gz KVKXARYRHOANQW-UHFFFAOYSA-N 0 0 195.262 2.455 10 0 AEAERN Cc1nccn1CCc1ccsc1 69767293 343440419 /nfs/dbraw/zinc/44/04/19/343440419.db2.gz KTSWBQOPLJQICO-UHFFFAOYSA-N 0 0 192.287 2.496 10 0 AEAERN c1cnn(CCc2ccsc2)c1 69767284 343440501 /nfs/dbraw/zinc/44/05/01/343440501.db2.gz QKKDSIFOVUPODA-UHFFFAOYSA-N 0 0 178.260 2.187 10 0 AEAERN c1cn(CCc2ccsc2)cn1 69767290 343440525 /nfs/dbraw/zinc/44/05/25/343440525.db2.gz WYHOZUVUKUARFS-UHFFFAOYSA-N 0 0 178.260 2.187 10 0 AEAERN CC[C@H](C)Sc1nsc(N)n1 69763869 343440666 /nfs/dbraw/zinc/44/06/66/343440666.db2.gz BHMORMZZBCNERA-BYPYZUCNSA-N 0 0 189.309 2.011 10 0 AEAERN CC[C@@H](C)Sc1nsc(N)n1 69763868 343440709 /nfs/dbraw/zinc/44/07/09/343440709.db2.gz BHMORMZZBCNERA-SCSAIBSYSA-N 0 0 189.309 2.011 10 0 AEAERN C[C@H](Nc1ccncn1)C1CCCC1 69805479 343443525 /nfs/dbraw/zinc/44/35/25/343443525.db2.gz ACLAAUZYIFWGOE-VIFPVBQESA-N 0 0 191.278 2.467 10 0 AEAERN C[C@@H](Nc1ccncn1)C1CCCC1 69805481 343443732 /nfs/dbraw/zinc/44/37/32/343443732.db2.gz ACLAAUZYIFWGOE-SECBINFHSA-N 0 0 191.278 2.467 10 0 AEAERN C[C@@H](Nc1cccnn1)C1CCCC1 69805342 343443753 /nfs/dbraw/zinc/44/37/53/343443753.db2.gz MXWCEWAFIPJYPL-SECBINFHSA-N 0 0 191.278 2.467 10 0 AEAERN C[C@H](Nc1cccnn1)C1CCCC1 69805338 343443833 /nfs/dbraw/zinc/44/38/33/343443833.db2.gz MXWCEWAFIPJYPL-VIFPVBQESA-N 0 0 191.278 2.467 10 0 AEAERN Nc1ncccc1Cc1cccs1 69841446 343444480 /nfs/dbraw/zinc/44/44/80/343444480.db2.gz APLQUTCVDLVENK-UHFFFAOYSA-N 0 0 190.271 2.316 10 0 AEAERN Nc1ncccc1Cc1ccsc1 69841474 343444509 /nfs/dbraw/zinc/44/45/09/343444509.db2.gz RUHDZKMRROECDW-UHFFFAOYSA-N 0 0 190.271 2.316 10 0 AEAERN Nc1ncccc1CC1CCCC1 69841368 343444560 /nfs/dbraw/zinc/44/45/60/343444560.db2.gz FMKLXKOSZJMJBT-UHFFFAOYSA-N 0 0 176.263 2.397 10 0 AEAERN Nc1ncccc1C1CCCC1 69841516 343444595 /nfs/dbraw/zinc/44/45/95/343444595.db2.gz ZQXLQSVKJGDFCX-UHFFFAOYSA-N 0 0 162.236 2.321 10 0 AEAERN Nc1ncccc1-c1cccs1 69841485 343444634 /nfs/dbraw/zinc/44/46/34/343444634.db2.gz GMHJYWCFYIVPEY-UHFFFAOYSA-N 0 0 176.244 2.392 10 0 AEAERN Cc1ccc(-c2cccnc2N)cn1 69841415 343444659 /nfs/dbraw/zinc/44/46/59/343444659.db2.gz FEEDVGHHNJOMGG-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CCCC(=O)[C@@H]1CCSC1 69983850 343464281 /nfs/dbraw/zinc/46/42/81/343464281.db2.gz YFZSHCWAFFYRHF-SSDOTTSWSA-N 0 0 158.266 2.109 10 0 AEAERN CC(C)(C)C[C@H](O)c1cccnc1N 69844438 343446709 /nfs/dbraw/zinc/44/67/09/343446709.db2.gz GUHSFYIPQDZGHA-VIFPVBQESA-N 0 0 194.278 2.133 10 0 AEAERN CC(C)(C)C[C@@H](O)c1cccnc1N 69844440 343446849 /nfs/dbraw/zinc/44/68/49/343446849.db2.gz GUHSFYIPQDZGHA-SECBINFHSA-N 0 0 194.278 2.133 10 0 AEAERN CC(C)(C)CC(=O)c1cccnc1N 69844710 343446975 /nfs/dbraw/zinc/44/69/75/343446975.db2.gz 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CCC(C)(C)N(C)c1ncccc1N 70621616 343504983 /nfs/dbraw/zinc/50/49/83/343504983.db2.gz PHHPQFBLOLHPNV-UHFFFAOYSA-N 0 0 193.294 2.289 10 0 AEAERN Cc1coc(-c2ccc(N)cc2)n1 70622246 343505509 /nfs/dbraw/zinc/50/55/09/343505509.db2.gz KXGIFISLSUJNEB-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1coc(-c2ccc(N)cc2F)n1 70622247 343505679 /nfs/dbraw/zinc/50/56/79/343505679.db2.gz LIMMYDSVYVXLHR-UHFFFAOYSA-N 0 0 192.193 2.371 10 0 AEAERN Cc1coc(-c2ccccc2N)n1 70622244 343505713 /nfs/dbraw/zinc/50/57/13/343505713.db2.gz DPWORFNGMPBWAK-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Nc1cc(-n2cccc2)c(F)cc1F 70626531 343507265 /nfs/dbraw/zinc/50/72/65/343507265.db2.gz UWVPOLJDPKDLTG-UHFFFAOYSA-N 0 0 194.184 2.338 10 0 AEAERN Nc1nc(/C=C/c2ccc[nH]2)cs1 70627642 343507648 /nfs/dbraw/zinc/50/76/48/343507648.db2.gz CYDSZFCEUBSFHA-ONEGZZNKSA-N 0 0 191.259 2.224 10 0 AEAERN Nc1nc(/C=C/c2cc[nH]c2)cs1 70627644 343507760 /nfs/dbraw/zinc/50/77/60/343507760.db2.gz STNOCTDHKLGATH-OWOJBTEDSA-N 0 0 191.259 2.224 10 0 AEAERN FC(F)(F)[C@@H]1CCC[C@H](C2CC2)N1 70632325 343510932 /nfs/dbraw/zinc/51/09/32/343510932.db2.gz LDTSAAAHHAJSBN-SFYZADRCSA-N 0 0 193.212 2.469 10 0 AEAERN FC(F)(F)[C@@H]1CCC[C@@H](C2CC2)N1 70632326 343510941 /nfs/dbraw/zinc/51/09/41/343510941.db2.gz LDTSAAAHHAJSBN-YUMQZZPRSA-N 0 0 193.212 2.469 10 0 AEAERN FC(F)(F)[C@H]1CCC[C@H](C2CC2)N1 70632327 343510977 /nfs/dbraw/zinc/51/09/77/343510977.db2.gz LDTSAAAHHAJSBN-HTQZYQBOSA-N 0 0 193.212 2.469 10 0 AEAERN FC(F)(F)[C@H]1CCC[C@@H](C2CC2)N1 70632329 343511119 /nfs/dbraw/zinc/51/11/19/343511119.db2.gz LDTSAAAHHAJSBN-JGVFFNPUSA-N 0 0 193.212 2.469 10 0 AEAERN Cc1ccc(C[C@H](C)NC#N)s1 70633856 343511174 /nfs/dbraw/zinc/51/11/74/343511174.db2.gz LLGSONRQQTWXRH-ZETCQYMHSA-N 0 0 180.276 2.058 10 0 AEAERN COC[C@@H](C)Nc1ccc(O)cc1C 70634881 343511177 /nfs/dbraw/zinc/51/11/77/343511177.db2.gz BRAUHSPABXKANR-SECBINFHSA-N 0 0 195.262 2.147 10 0 AEAERN Cc1ccc(C[C@@H](C)NC#N)s1 70633855 343511533 /nfs/dbraw/zinc/51/15/33/343511533.db2.gz LLGSONRQQTWXRH-SSDOTTSWSA-N 0 0 180.276 2.058 10 0 AEAERN COC[C@H](C)Nc1ccc(O)cc1C 70634880 343511542 /nfs/dbraw/zinc/51/15/42/343511542.db2.gz BRAUHSPABXKANR-VIFPVBQESA-N 0 0 195.262 2.147 10 0 AEAERN Nc1ncc(Cl)cc1C1CC1 70635219 343511939 /nfs/dbraw/zinc/51/19/39/343511939.db2.gz DHGHQMMQBQDMRQ-UHFFFAOYSA-N 0 0 168.627 2.195 10 0 AEAERN C[C@H]1CC[C@@H](Nc2cn[nH]c2)C1 70643084 343514419 /nfs/dbraw/zinc/51/44/19/343514419.db2.gz BZYGJJBUSAOFPY-JGVFFNPUSA-N 0 0 165.240 2.010 10 0 AEAERN C[C@@H]1CC[C@@](N)(C(F)(F)F)C1 70645294 343516345 /nfs/dbraw/zinc/51/63/45/343516345.db2.gz REKKQDFVFMLYKN-RITPCOANSA-N 0 0 167.174 2.066 10 0 AEAERN C[C@H]1CC[C@H](Nc2cn[nH]c2)C1 70643082 343514467 /nfs/dbraw/zinc/51/44/67/343514467.db2.gz BZYGJJBUSAOFPY-YUMQZZPRSA-N 0 0 165.240 2.010 10 0 AEAERN C[C@@H]1CC[C@@H](Nc2cn[nH]c2)C1 70643083 343514525 /nfs/dbraw/zinc/51/45/25/343514525.db2.gz BZYGJJBUSAOFPY-HTQZYQBOSA-N 0 0 165.240 2.010 10 0 AEAERN C[C@@H]1CC[C@H](Nc2cn[nH]c2)C1 70643081 343514656 /nfs/dbraw/zinc/51/46/56/343514656.db2.gz BZYGJJBUSAOFPY-SFYZADRCSA-N 0 0 165.240 2.010 10 0 AEAERN CC[C@H]1CC[C@@H](Nc2ccn(C)n2)C1 70643304 343514876 /nfs/dbraw/zinc/51/48/76/343514876.db2.gz XJOJKYBWKBBWKY-VHSXEESVSA-N 0 0 193.294 2.411 10 0 AEAERN CC[C@@H]1CC[C@H](Nc2ccn(C)n2)C1 70643301 343514951 /nfs/dbraw/zinc/51/49/51/343514951.db2.gz XJOJKYBWKBBWKY-ZJUUUORDSA-N 0 0 193.294 2.411 10 0 AEAERN CC[C@H]1CC[C@H](Nc2ccn(C)n2)C1 70643302 343515193 /nfs/dbraw/zinc/51/51/93/343515193.db2.gz XJOJKYBWKBBWKY-UWVGGRQHSA-N 0 0 193.294 2.411 10 0 AEAERN CC[C@@H]1CC[C@@H](Nc2ccn(C)n2)C1 70643303 343515198 /nfs/dbraw/zinc/51/51/98/343515198.db2.gz XJOJKYBWKBBWKY-NXEZZACHSA-N 0 0 193.294 2.411 10 0 AEAERN CC[C@@H]1CC[C@H](n2nccc2N)C1 70644310 343515325 /nfs/dbraw/zinc/51/53/25/343515325.db2.gz QNFYSSGBOBWRKA-BDAKNGLRSA-N 0 0 179.267 2.217 10 0 AEAERN Cc1cc(N)n([C@@H]2CC[C@H](C)C2)n1 70644322 343515334 /nfs/dbraw/zinc/51/53/34/343515334.db2.gz XUVDCEURBNFLGQ-IONNQARKSA-N 0 0 179.267 2.135 10 0 AEAERN Cc1cc(N)n([C@@H]2CC[C@@H](C)C2)n1 70644324 343515346 /nfs/dbraw/zinc/51/53/46/343515346.db2.gz XUVDCEURBNFLGQ-VXNVDRBHSA-N 0 0 179.267 2.135 10 0 AEAERN C[C@H]1CC[C@H](n2ncc(Cl)c2N)C1 70644331 343515362 /nfs/dbraw/zinc/51/53/62/343515362.db2.gz IKORATMEYWFAKX-BQBZGAKWSA-N 0 0 199.685 2.480 10 0 AEAERN C[C@@H]1CC[C@H](n2ncc(Cl)c2N)C1 70644330 343515423 /nfs/dbraw/zinc/51/54/23/343515423.db2.gz IKORATMEYWFAKX-RQJHMYQMSA-N 0 0 199.685 2.480 10 0 AEAERN Cc1cnn([C@@H]2CC[C@@H](C)C2)c1N 70644316 343515457 /nfs/dbraw/zinc/51/54/57/343515457.db2.gz VOKVPGPXEIAEHZ-VXNVDRBHSA-N 0 0 179.267 2.135 10 0 AEAERN Cc1cc(N)n([C@H]2CC[C@H](C)C2)n1 70644323 343515459 /nfs/dbraw/zinc/51/54/59/343515459.db2.gz XUVDCEURBNFLGQ-CBAPKCEASA-N 0 0 179.267 2.135 10 0 AEAERN CC[C@H]1CC[C@@H](n2nccc2N)C1 70644313 343515466 /nfs/dbraw/zinc/51/54/66/343515466.db2.gz QNFYSSGBOBWRKA-DTWKUNHWSA-N 0 0 179.267 2.217 10 0 AEAERN CC[C@@H]1CC[C@@H](n2nccc2N)C1 70644312 343515587 /nfs/dbraw/zinc/51/55/87/343515587.db2.gz QNFYSSGBOBWRKA-RKDXNWHRSA-N 0 0 179.267 2.217 10 0 AEAERN C[C@H]1CC[C@@H](n2ncc(Cl)c2N)C1 70644333 343515569 /nfs/dbraw/zinc/51/55/69/343515569.db2.gz IKORATMEYWFAKX-NKWVEPMBSA-N 0 0 199.685 2.480 10 0 AEAERN CC[C@H]1CC[C@H](n2nccc2N)C1 70644311 343515575 /nfs/dbraw/zinc/51/55/75/343515575.db2.gz QNFYSSGBOBWRKA-IUCAKERBSA-N 0 0 179.267 2.217 10 0 AEAERN CC[C@H]1CC[C@](N)(C(F)(F)F)C1 70645297 343516312 /nfs/dbraw/zinc/51/63/12/343516312.db2.gz PGYSUPMEHGQOGO-NKWVEPMBSA-N 0 0 181.201 2.456 10 0 AEAERN C[C@H]1CC[C@](N)(C(F)(F)F)C1 70645293 343516399 /nfs/dbraw/zinc/51/63/99/343516399.db2.gz REKKQDFVFMLYKN-NTSWFWBYSA-N 0 0 167.174 2.066 10 0 AEAERN CC[C@H]1CC[C@@](N)(C(F)(F)F)C1 70645299 343516425 /nfs/dbraw/zinc/51/64/25/343516425.db2.gz PGYSUPMEHGQOGO-BQBZGAKWSA-N 0 0 181.201 2.456 10 0 AEAERN C[C@H]1CC[C@@](N)(C(F)(F)F)C1 70645295 343516434 /nfs/dbraw/zinc/51/64/34/343516434.db2.gz REKKQDFVFMLYKN-WDSKDSINSA-N 0 0 167.174 2.066 10 0 AEAERN CC[C@@H]1CC[C@](N)(C(F)(F)F)C1 70645296 343516622 /nfs/dbraw/zinc/51/66/22/343516622.db2.gz PGYSUPMEHGQOGO-RNFRBKRXSA-N 0 0 181.201 2.456 10 0 AEAERN CC[C@@H]1CC[C@@](N)(C(F)(F)F)C1 70645298 343516709 /nfs/dbraw/zinc/51/67/09/343516709.db2.gz PGYSUPMEHGQOGO-RQJHMYQMSA-N 0 0 181.201 2.456 10 0 AEAERN C[C@@H]1CC[C@](N)(C(F)(F)F)C1 70645292 343516719 /nfs/dbraw/zinc/51/67/19/343516719.db2.gz REKKQDFVFMLYKN-PHDIDXHHSA-N 0 0 167.174 2.066 10 0 AEAERN O=C(c1ccco1)[C@H]1CCCS1 70651433 343519341 /nfs/dbraw/zinc/51/93/41/343519341.db2.gz GRULMCRYCXPOLG-MRVPVSSYSA-N 0 0 182.244 2.358 10 0 AEAERN O=C(c1ccco1)[C@@H]1CCCS1 70651432 343519425 /nfs/dbraw/zinc/51/94/25/343519425.db2.gz GRULMCRYCXPOLG-QMMMGPOBSA-N 0 0 182.244 2.358 10 0 AEAERN Cc1ccnc(-c2nc(C)c[nH]2)c1 70653283 343519692 /nfs/dbraw/zinc/51/96/92/343519692.db2.gz QJMYTRKAHXSEHK-UHFFFAOYSA-N 0 0 173.219 2.089 10 0 AEAERN Cc1c[nH]c(-c2ncccc2C)n1 70653273 343519697 /nfs/dbraw/zinc/51/96/97/343519697.db2.gz OKAHCGFNAYVFJL-UHFFFAOYSA-N 0 0 173.219 2.089 10 0 AEAERN Cc1c[nH]c(-c2ccsc2)n1 70653299 343519745 /nfs/dbraw/zinc/51/97/45/343519745.db2.gz WBKDEDMLWBJEOH-UHFFFAOYSA-N 0 0 164.233 2.447 10 0 AEAERN Cc1cccc(-c2nc(C)c[nH]2)n1 70653300 343519762 /nfs/dbraw/zinc/51/97/62/343519762.db2.gz JHCGYBNYNNEBSK-UHFFFAOYSA-N 0 0 173.219 2.089 10 0 AEAERN CC1(C)CC[C@@H](O)[C@H](OCC2CC2)C1 70654946 343520277 /nfs/dbraw/zinc/52/02/77/343520277.db2.gz LWLWEUNBBCWJQX-GHMZBOCLSA-N 0 0 198.306 2.353 10 0 AEAERN CC1(C)CC[C@H](O)[C@@H](OC2CCC2)C1 70654967 343520281 /nfs/dbraw/zinc/52/02/81/343520281.db2.gz JITSXPLSRYZGKZ-QWRGUYRKSA-N 0 0 198.306 2.495 10 0 AEAERN CC1(C)CC[C@@H](O)[C@@H](OCC2CC2)C1 70654948 343520289 /nfs/dbraw/zinc/52/02/89/343520289.db2.gz LWLWEUNBBCWJQX-MNOVXSKESA-N 0 0 198.306 2.353 10 0 AEAERN CC1(C)CC[C@@H](O)[C@@H](OC2CCC2)C1 70654968 343520332 /nfs/dbraw/zinc/52/03/32/343520332.db2.gz JITSXPLSRYZGKZ-MNOVXSKESA-N 0 0 198.306 2.495 10 0 AEAERN CC1(C)CC[C@H](O)[C@H](OC2CCC2)C1 70654965 343520334 /nfs/dbraw/zinc/52/03/34/343520334.db2.gz JITSXPLSRYZGKZ-WDEREUQCSA-N 0 0 198.306 2.495 10 0 AEAERN CC1(C)CC[C@H](O)[C@@H](OCC2CC2)C1 70654947 343520351 /nfs/dbraw/zinc/52/03/51/343520351.db2.gz LWLWEUNBBCWJQX-QWRGUYRKSA-N 0 0 198.306 2.353 10 0 AEAERN CC1(C)CCC(N2CCC(=O)C2)CC1 70655358 343520717 /nfs/dbraw/zinc/52/07/17/343520717.db2.gz YKWUCWOBVZEUFN-UHFFFAOYSA-N 0 0 195.306 2.230 10 0 AEAERN C=CC(=O)NC1CCC(C)(C)CC1 70655295 343520726 /nfs/dbraw/zinc/52/07/26/343520726.db2.gz KZCXNKQMBCZBHH-UHFFFAOYSA-N 0 0 181.279 2.257 10 0 AEAERN O[C@@H](c1ccsc1)C1CC1 70735857 343527201 /nfs/dbraw/zinc/52/72/01/343527201.db2.gz RQCNQABJXNXGFF-MRVPVSSYSA-N 0 0 154.234 2.192 10 0 AEAERN CCNc1n[nH]c2c1CC(C)(C)CC2 70655021 343520995 /nfs/dbraw/zinc/52/09/95/343520995.db2.gz OZYCYEIXWSLQGL-UHFFFAOYSA-N 0 0 193.294 2.356 10 0 AEAERN CC[C@@H](C)C(=O)C1CC1 70735831 343527379 /nfs/dbraw/zinc/52/73/79/343527379.db2.gz HCABUYANEXGXEN-ZCFIWIBFSA-N 0 0 126.199 2.012 10 0 AEAERN Cc1cc(C)n(-c2cccc(O)c2)n1 70675367 343523336 /nfs/dbraw/zinc/52/33/36/343523336.db2.gz YTBANLASGMTYSQ-UHFFFAOYSA-N 0 0 188.230 2.195 10 0 AEAERN CCc1nccn1-c1ccc(O)cc1 70675470 343523445 /nfs/dbraw/zinc/52/34/45/343523445.db2.gz JQZPTIWPVFCHJJ-UHFFFAOYSA-N 0 0 188.230 2.140 10 0 AEAERN CCc1nccn1-c1ccccc1O 70675467 343523452 /nfs/dbraw/zinc/52/34/52/343523452.db2.gz TXMJWUXGQIZMQI-UHFFFAOYSA-N 0 0 188.230 2.140 10 0 AEAERN Cc1ncn(-c2cccc(O)c2)c1C 70675377 343523494 /nfs/dbraw/zinc/52/34/94/343523494.db2.gz QIZVVFKGISWBHG-UHFFFAOYSA-N 0 0 188.230 2.195 10 0 AEAERN Oc1ccc(-n2cc(Cl)cn2)cc1 70675434 343523516 /nfs/dbraw/zinc/52/35/16/343523516.db2.gz VJCWMGXGFOKRQQ-UHFFFAOYSA-N 0 0 194.621 2.231 10 0 AEAERN Oc1ccccc1-n1cc(Cl)cn1 70675432 343523570 /nfs/dbraw/zinc/52/35/70/343523570.db2.gz CYKQEVDYJYOLRY-UHFFFAOYSA-N 0 0 194.621 2.231 10 0 AEAERN Oc1cccc(-n2cc(Cl)cn2)c1 70675436 343523576 /nfs/dbraw/zinc/52/35/76/343523576.db2.gz DMQUYQVRRRXOGF-UHFFFAOYSA-N 0 0 194.621 2.231 10 0 AEAERN CC1(C)CCC[C@]2(C[C@@H](O)CCO2)C1 70684743 343524588 /nfs/dbraw/zinc/52/45/88/343524588.db2.gz LVSFGPUUWZCQFQ-JQWIXIFHSA-N 0 0 198.306 2.497 10 0 AEAERN CC1(C)CCC[C@@]2(C[C@H](O)CCO2)C1 70684740 343524591 /nfs/dbraw/zinc/52/45/91/343524591.db2.gz LVSFGPUUWZCQFQ-ZYHUDNBSSA-N 0 0 198.306 2.497 10 0 AEAERN CC1(C)CCC[C@@]2(C[C@@H](O)CCO2)C1 70684745 343524796 /nfs/dbraw/zinc/52/47/96/343524796.db2.gz LVSFGPUUWZCQFQ-CMPLNLGQSA-N 0 0 198.306 2.497 10 0 AEAERN CC1(C)CCC[C@]2(C[C@H](O)CCO2)C1 70684738 343524855 /nfs/dbraw/zinc/52/48/55/343524855.db2.gz LVSFGPUUWZCQFQ-PWSUYJOCSA-N 0 0 198.306 2.497 10 0 AEAERN Cc1ccn([C@@H]2CCCCC[C@H]2O)n1 70686176 343525129 /nfs/dbraw/zinc/52/51/29/343525129.db2.gz RGFQRZPMKJGMQY-GHMZBOCLSA-N 0 0 194.278 2.058 10 0 AEAERN CC[C@H](C)Cn1ccc(C)n1 70687689 343525151 /nfs/dbraw/zinc/52/51/51/343525151.db2.gz JHWSIXHYYUKWLT-QMMMGPOBSA-N 0 0 152.241 2.238 10 0 AEAERN Cc1ccn([C@@H]2CCCCC[C@@H]2O)n1 70686169 343525155 /nfs/dbraw/zinc/52/51/55/343525155.db2.gz RGFQRZPMKJGMQY-MNOVXSKESA-N 0 0 194.278 2.058 10 0 AEAERN CO[C@H]1CCC[C@@H](n2ccc(C)n2)C1 70687931 343525195 /nfs/dbraw/zinc/52/51/95/343525195.db2.gz LNAGZANAFBAWKT-MNOVXSKESA-N 0 0 194.278 2.322 10 0 AEAERN Cc1ccn(CCc2cccs2)n1 70687927 343525227 /nfs/dbraw/zinc/52/52/27/343525227.db2.gz ZSMFUPWEYOKAOD-UHFFFAOYSA-N 0 0 192.287 2.496 10 0 AEAERN CO[C@H]1CCC[C@H](n2ccc(C)n2)C1 70687933 343525233 /nfs/dbraw/zinc/52/52/33/343525233.db2.gz LNAGZANAFBAWKT-QWRGUYRKSA-N 0 0 194.278 2.322 10 0 AEAERN CO[C@@H]1CCC[C@H](n2ccc(C)n2)C1 70687940 343525237 /nfs/dbraw/zinc/52/52/37/343525237.db2.gz LNAGZANAFBAWKT-WDEREUQCSA-N 0 0 194.278 2.322 10 0 AEAERN Cc1ccn(Cc2ccccc2F)n1 70687801 343525290 /nfs/dbraw/zinc/52/52/90/343525290.db2.gz ZHTIZXDISRVBEC-UHFFFAOYSA-N 0 0 190.221 2.379 10 0 AEAERN Cc1ccn([C@H]2CCCCC[C@H]2O)n1 70686179 343525305 /nfs/dbraw/zinc/52/53/05/343525305.db2.gz RGFQRZPMKJGMQY-WDEREUQCSA-N 0 0 194.278 2.058 10 0 AEAERN Cc1ccn([C@H]2CCCCC[C@@H]2O)n1 70686173 343525309 /nfs/dbraw/zinc/52/53/09/343525309.db2.gz RGFQRZPMKJGMQY-QWRGUYRKSA-N 0 0 194.278 2.058 10 0 AEAERN Cc1ccn(Cc2cccs2)n1 70687860 343525335 /nfs/dbraw/zinc/52/53/35/343525335.db2.gz KUCBRAUXGSWLGP-UHFFFAOYSA-N 0 0 178.260 2.301 10 0 AEAERN Cc1ccnn1CC1CCCC1 70688279 343525512 /nfs/dbraw/zinc/52/55/12/343525512.db2.gz PQZCIBNWJPTVJN-UHFFFAOYSA-N 0 0 164.252 2.382 10 0 AEAERN Cc1ccn(-c2ncccc2Cl)n1 70688517 343525517 /nfs/dbraw/zinc/52/55/17/343525517.db2.gz HTINARLEWBUVOB-UHFFFAOYSA-N 0 0 193.637 2.229 10 0 AEAERN Cc1ccnn1Cc1ccsc1 70688434 343525521 /nfs/dbraw/zinc/52/55/21/343525521.db2.gz FWXWWRIDWDVHDA-UHFFFAOYSA-N 0 0 178.260 2.301 10 0 AEAERN CC[C@H](C)Cn1nccc1C 70688228 343525527 /nfs/dbraw/zinc/52/55/27/343525527.db2.gz RGLVKNQVYIKFIS-QMMMGPOBSA-N 0 0 152.241 2.238 10 0 AEAERN Cc1ncc(Cn2nccc2C)s1 70688404 343525529 /nfs/dbraw/zinc/52/55/29/343525529.db2.gz PBDCUFAASKHMRZ-UHFFFAOYSA-N 0 0 193.275 2.005 10 0 AEAERN Cc1ccc(Cn2nccc2C)o1 70688214 343525530 /nfs/dbraw/zinc/52/55/30/343525530.db2.gz FIXSLDQIZCMHFP-UHFFFAOYSA-N 0 0 176.219 2.141 10 0 AEAERN Cc1ccnn1Cc1ccccc1F 70688269 343525558 /nfs/dbraw/zinc/52/55/58/343525558.db2.gz XYXAOYLGLGPCGH-UHFFFAOYSA-N 0 0 190.221 2.379 10 0 AEAERN Cc1ccn(-c2ccc(Cl)cn2)n1 70688481 343525559 /nfs/dbraw/zinc/52/55/59/343525559.db2.gz XGLLRVXRHILFGB-UHFFFAOYSA-N 0 0 193.637 2.229 10 0 AEAERN Cc1ccn(Cc2cnc(C)s2)n1 70688098 343525579 /nfs/dbraw/zinc/52/55/79/343525579.db2.gz QQSXZUIULSWNBJ-UHFFFAOYSA-N 0 0 193.275 2.005 10 0 AEAERN Cc1ccnn1CCc1cccs1 70688311 343525647 /nfs/dbraw/zinc/52/56/47/343525647.db2.gz OHXIYPBXFSDDMA-UHFFFAOYSA-N 0 0 192.287 2.496 10 0 AEAERN CC[C@@H](C)Cn1nccc1C 70688227 343525702 /nfs/dbraw/zinc/52/57/02/343525702.db2.gz RGLVKNQVYIKFIS-MRVPVSSYSA-N 0 0 152.241 2.238 10 0 AEAERN Cc1nc(Cn2nccc2C)cs1 70688423 343525724 /nfs/dbraw/zinc/52/57/24/343525724.db2.gz XIHSZRPEDVTMNU-UHFFFAOYSA-N 0 0 193.275 2.005 10 0 AEAERN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC#N 70710958 343526476 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2.448 10 0 AEAERN C[C@@H](O)CCc1ccc(F)c(F)c1 70770830 343530669 /nfs/dbraw/zinc/53/06/69/343530669.db2.gz KXKHIMVJXJUJIM-SSDOTTSWSA-N 0 0 186.201 2.278 10 0 AEAERN C[C@H](O)CCc1c(F)cccc1F 70770837 343530684 /nfs/dbraw/zinc/53/06/84/343530684.db2.gz FUDHSDCFOZTYRS-ZETCQYMHSA-N 0 0 186.201 2.278 10 0 AEAERN O[C@H]1CC[C@H](Cc2ccccc2)C1 70771928 343530689 /nfs/dbraw/zinc/53/06/89/343530689.db2.gz UJLXXZCEMJNTMK-NEPJUHHUSA-N 0 0 176.259 2.390 10 0 AEAERN C[C@@H](O)CCc1c(F)cccc1F 70770838 343530729 /nfs/dbraw/zinc/53/07/29/343530729.db2.gz FUDHSDCFOZTYRS-SSDOTTSWSA-N 0 0 186.201 2.278 10 0 AEAERN Cc1ccc([C@@H]2CC[C@H](O)C2)cn1 70771499 343530757 /nfs/dbraw/zinc/53/07/57/343530757.db2.gz JUEMKKUWBHBBQB-KOLCDFICSA-N 0 0 177.247 2.018 10 0 AEAERN C[C@H](O)CCc1ccc(F)c(F)c1 70770826 343530769 /nfs/dbraw/zinc/53/07/69/343530769.db2.gz KXKHIMVJXJUJIM-ZETCQYMHSA-N 0 0 186.201 2.278 10 0 AEAERN Cc1ccc([C@@H]2CC[C@@H](O)C2)cn1 70771505 343530774 /nfs/dbraw/zinc/53/07/74/343530774.db2.gz JUEMKKUWBHBBQB-MWLCHTKSSA-N 0 0 177.247 2.018 10 0 AEAERN O[C@H]1CC[C@@H](Cc2ccccc2)C1 70771927 343530780 /nfs/dbraw/zinc/53/07/80/343530780.db2.gz UJLXXZCEMJNTMK-RYUDHWBXSA-N 0 0 176.259 2.390 10 0 AEAERN Cc1ccc([C@H]2CC[C@H](O)C2)cn1 70771501 343530804 /nfs/dbraw/zinc/53/08/04/343530804.db2.gz JUEMKKUWBHBBQB-ONGXEEELSA-N 0 0 177.247 2.018 10 0 AEAERN Cc1ccc([C@H]2CC[C@@H](O)C2)cn1 70771509 343530810 /nfs/dbraw/zinc/53/08/10/343530810.db2.gz JUEMKKUWBHBBQB-GXSJLCMTSA-N 0 0 177.247 2.018 10 0 AEAERN Cc1ccc([C@@H]2CCC[C@@H](O)C2)cn1 70773499 343531122 /nfs/dbraw/zinc/53/11/22/343531122.db2.gz UORWZRJGTODDFG-ZYHUDNBSSA-N 0 0 191.274 2.409 10 0 AEAERN O[C@H]1CC[C@H](C2CCCC2)C1 70772120 343531129 /nfs/dbraw/zinc/53/11/29/343531129.db2.gz BINLOHNQLVTMMV-UWVGGRQHSA-N 0 0 154.253 2.338 10 0 AEAERN Cc1ccc([C@H]2CCC[C@@H](O)C2)cn1 70773503 343531150 /nfs/dbraw/zinc/53/11/50/343531150.db2.gz UORWZRJGTODDFG-CMPLNLGQSA-N 0 0 191.274 2.409 10 0 AEAERN O[C@H]1CC[C@@H](C2CCCC2)C1 70772115 343531185 /nfs/dbraw/zinc/53/11/85/343531185.db2.gz BINLOHNQLVTMMV-ZJUUUORDSA-N 0 0 154.253 2.338 10 0 AEAERN Cc1ccc([C@H]2CCC[C@H](O)C2)cn1 70773496 343531188 /nfs/dbraw/zinc/53/11/88/343531188.db2.gz UORWZRJGTODDFG-JQWIXIFHSA-N 0 0 191.274 2.409 10 0 AEAERN O[C@@H]1CC[C@@H](Cc2ccccc2)C1 70771931 343531254 /nfs/dbraw/zinc/53/12/54/343531254.db2.gz UJLXXZCEMJNTMK-NWDGAFQWSA-N 0 0 176.259 2.390 10 0 AEAERN O[C@@H]1CC[C@H](Cc2ccccc2)C1 70771932 343531283 /nfs/dbraw/zinc/53/12/83/343531283.db2.gz UJLXXZCEMJNTMK-VXGBXAGGSA-N 0 0 176.259 2.390 10 0 AEAERN O[C@@H]1CC[C@H](C2CCCC2)C1 70772129 343531336 /nfs/dbraw/zinc/53/13/36/343531336.db2.gz BINLOHNQLVTMMV-VHSXEESVSA-N 0 0 154.253 2.338 10 0 AEAERN O[C@H]1CCCC[C@H](C2CC2)C1 70775749 343531626 /nfs/dbraw/zinc/53/16/26/343531626.db2.gz VKDYBVLZEWTPQF-UWVGGRQHSA-N 0 0 154.253 2.338 10 0 AEAERN O[C@@H]1CCC[C@H](c2cccnc2)C1 70774377 343531634 /nfs/dbraw/zinc/53/16/34/343531634.db2.gz JYRJYFOQLCGSTG-GXSJLCMTSA-N 0 0 177.247 2.100 10 0 AEAERN O[C@@H]1CCCC[C@@H](C2CCOCC2)C1 70776511 343531636 /nfs/dbraw/zinc/53/16/36/343531636.db2.gz VSZBBYILQWXICM-VXGBXAGGSA-N 0 0 198.306 2.354 10 0 AEAERN O[C@H]1CCCC[C@H](c2cccnc2)C1 70776587 343531707 /nfs/dbraw/zinc/53/17/07/343531707.db2.gz XTUSPLGRAHCZPU-JQWIXIFHSA-N 0 0 191.274 2.490 10 0 AEAERN O[C@H]1CCCC[C@@H](C2CCOCC2)C1 70776507 343531720 /nfs/dbraw/zinc/53/17/20/343531720.db2.gz VSZBBYILQWXICM-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN O[C@H]1CCC[C@H](c2cccnc2)C1 70774371 343531741 /nfs/dbraw/zinc/53/17/41/343531741.db2.gz JYRJYFOQLCGSTG-ONGXEEELSA-N 0 0 177.247 2.100 10 0 AEAERN O[C@@H]1CCCC[C@H](c2cccnc2)C1 70776593 343531780 /nfs/dbraw/zinc/53/17/80/343531780.db2.gz XTUSPLGRAHCZPU-CMPLNLGQSA-N 0 0 191.274 2.490 10 0 AEAERN O[C@H]1CCCC[C@@H](C2CC2)C1 70775743 343531794 /nfs/dbraw/zinc/53/17/94/343531794.db2.gz VKDYBVLZEWTPQF-ZJUUUORDSA-N 0 0 154.253 2.338 10 0 AEAERN O[C@@H]1CCCC[C@@H](c2cccnc2)C1 70776590 343531827 /nfs/dbraw/zinc/53/18/27/343531827.db2.gz XTUSPLGRAHCZPU-ZYHUDNBSSA-N 0 0 191.274 2.490 10 0 AEAERN CC[C@@H](O)CCc1ccc(OC)cc1 70777161 343531832 /nfs/dbraw/zinc/53/18/32/343531832.db2.gz CBRGLZAWGGVVLG-LLVKDONJSA-N 0 0 194.274 2.399 10 0 AEAERN O[C@H]1CCCC[C@H](C2CCOCC2)C1 70776513 343531839 /nfs/dbraw/zinc/53/18/39/343531839.db2.gz VSZBBYILQWXICM-RYUDHWBXSA-N 0 0 198.306 2.354 10 0 AEAERN O[C@@H]1CCCC[C@@H](C2CC2)C1 70775746 343531842 /nfs/dbraw/zinc/53/18/42/343531842.db2.gz VKDYBVLZEWTPQF-NXEZZACHSA-N 0 0 154.253 2.338 10 0 AEAERN O[C@H]1CCC[C@@H](c2cccnc2)C1 70774369 343531845 /nfs/dbraw/zinc/53/18/45/343531845.db2.gz JYRJYFOQLCGSTG-KOLCDFICSA-N 0 0 177.247 2.100 10 0 AEAERN O[C@@H]1CCC[C@@H](c2cccnc2)C1 70774374 343531867 /nfs/dbraw/zinc/53/18/67/343531867.db2.gz JYRJYFOQLCGSTG-MWLCHTKSSA-N 0 0 177.247 2.100 10 0 AEAERN C[C@H](O)c1cccc2c1OC(C)(C)C2 70800110 343532268 /nfs/dbraw/zinc/53/22/68/343532268.db2.gz JQUMRGVGKDROPD-QMMMGPOBSA-N 0 0 192.258 2.453 10 0 AEAERN C[C@@H](O)c1cccc2c1OC(C)(C)C2 70800113 343532369 /nfs/dbraw/zinc/53/23/69/343532369.db2.gz JQUMRGVGKDROPD-MRVPVSSYSA-N 0 0 192.258 2.453 10 0 AEAERN CC(C)(C)c1nc2cc[nH]cc-2n1 70801547 343532628 /nfs/dbraw/zinc/53/26/28/343532628.db2.gz UMWZTRLWXUAFIB-UHFFFAOYSA-N 0 0 175.235 2.255 10 0 AEAERN C[C@H]1C[C@H]1c1nc2cc[nH]cc-2n1 70801535 343532908 /nfs/dbraw/zinc/53/29/08/343532908.db2.gz JXYRNHIKPOCJIH-NKWVEPMBSA-N 0 0 173.219 2.081 10 0 AEAERN O=C1CCCOc2c(F)ccc(F)c21 70819605 343532920 /nfs/dbraw/zinc/53/29/20/343532920.db2.gz XRBLMFBWCTZSKI-UHFFFAOYSA-N 0 0 198.168 2.320 10 0 AEAERN CC[C@H](C)c1nc2cc[nH]cc-2n1 70801621 343532960 /nfs/dbraw/zinc/53/29/60/343532960.db2.gz AMXGEKGYRDBGIQ-ZETCQYMHSA-N 0 0 175.235 2.471 10 0 AEAERN c1coc(-c2nc3cc[nH]cc-3n2)c1 70801550 343532990 /nfs/dbraw/zinc/53/29/90/343532990.db2.gz CIPLSTAUOLPXSS-UHFFFAOYSA-N 0 0 185.186 2.218 10 0 AEAERN C[C@@H]1C[C@@H]1c1nc2cc[nH]cc-2n1 70801528 343532999 /nfs/dbraw/zinc/53/29/99/343532999.db2.gz JXYRNHIKPOCJIH-RQJHMYQMSA-N 0 0 173.219 2.081 10 0 AEAERN CC[C@@H](C)c1nc2cc[nH]cc-2n1 70801619 343533011 /nfs/dbraw/zinc/53/30/11/343533011.db2.gz AMXGEKGYRDBGIQ-SSDOTTSWSA-N 0 0 175.235 2.471 10 0 AEAERN CCNc1nnc(Cl)c(C)c1C 70820749 343533258 /nfs/dbraw/zinc/53/32/58/343533258.db2.gz HXHFYYMKDQGIIO-UHFFFAOYSA-N 0 0 185.658 2.179 10 0 AEAERN CCN(C)c1nnc(Cl)c(C)c1C 70820785 343533263 /nfs/dbraw/zinc/53/32/63/343533263.db2.gz PJAGVKQNTBPMGG-UHFFFAOYSA-N 0 0 199.685 2.203 10 0 AEAERN CC(C)(CC(=O)[O-])[NH+]1CCCCCC1 70821339 343533340 /nfs/dbraw/zinc/53/33/40/343533340.db2.gz LYYKSPKZPIJNFB-UHFFFAOYSA-N 0 0 199.294 2.116 10 0 AEAERN Cc1c(Cl)nnc(NC2CC2)c1C 70820737 343533354 /nfs/dbraw/zinc/53/33/54/343533354.db2.gz VETLQGZWFYORPY-UHFFFAOYSA-N 0 0 197.669 2.321 10 0 AEAERN CCOc1nnc(Cl)c(C)c1C 70820601 343533400 /nfs/dbraw/zinc/53/34/00/343533400.db2.gz WXBWCCDARBVBRU-UHFFFAOYSA-N 0 0 186.642 2.146 10 0 AEAERN CSc1nnc(Cl)c(C)c1C 70821120 343533488 /nfs/dbraw/zinc/53/34/88/343533488.db2.gz PIUAEEHLMIFADY-UHFFFAOYSA-N 0 0 188.683 2.469 10 0 AEAERN Cc1ccnn1Cc1cccc(F)c1 70824125 343533730 /nfs/dbraw/zinc/53/37/30/343533730.db2.gz NMXVRVANXOVJJR-UHFFFAOYSA-N 0 0 190.221 2.379 10 0 AEAERN Cc1ccnn1Cc1ccc(F)cc1 70824045 343533872 /nfs/dbraw/zinc/53/38/72/343533872.db2.gz VEBNSERLQCBTTI-UHFFFAOYSA-N 0 0 190.221 2.379 10 0 AEAERN CCO[C@H](C)c1nccc(Cl)n1 70827303 343534214 /nfs/dbraw/zinc/53/42/14/343534214.db2.gz XWUSENLCQALLBX-ZCFIWIBFSA-N 0 0 186.642 2.228 10 0 AEAERN CCCCC(=O)[C@H](C)OCC 70827561 343534423 /nfs/dbraw/zinc/53/44/23/343534423.db2.gz JDUVKVSHQKNHPA-QMMMGPOBSA-N 0 0 158.241 2.171 10 0 AEAERN CCO[C@@H](C)c1nccc(Cl)n1 70827297 343534465 /nfs/dbraw/zinc/53/44/65/343534465.db2.gz XWUSENLCQALLBX-LURJTMIESA-N 0 0 186.642 2.228 10 0 AEAERN CCCCC(=O)[C@@H](C)OCC 70827558 343534519 /nfs/dbraw/zinc/53/45/19/343534519.db2.gz JDUVKVSHQKNHPA-MRVPVSSYSA-N 0 0 158.241 2.171 10 0 AEAERN C[C@@H]1CCC[C@H]1Nc1ccncn1 70832961 343535139 /nfs/dbraw/zinc/53/51/39/343535139.db2.gz LWXAPEGXRLNFBE-RKDXNWHRSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@H]1CCC[C@H]1Nc1ccncn1 70832965 343535165 /nfs/dbraw/zinc/53/51/65/343535165.db2.gz LWXAPEGXRLNFBE-DTWKUNHWSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@@H]1CCC[C@@H]1Nc1cccnn1 70832840 343535171 /nfs/dbraw/zinc/53/51/71/343535171.db2.gz CFYMQCHJBVNENL-BDAKNGLRSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@H]1CCC[C@@H]1Nc1ccncn1 70832958 343535173 /nfs/dbraw/zinc/53/51/73/343535173.db2.gz LWXAPEGXRLNFBE-IUCAKERBSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@H]1CCC[C@H]1Nc1cccnn1 70832850 343535254 /nfs/dbraw/zinc/53/52/54/343535254.db2.gz CFYMQCHJBVNENL-DTWKUNHWSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@@H]1CCC[C@H]1n1cn[nH]c1=S 70833428 343535280 /nfs/dbraw/zinc/53/52/80/343535280.db2.gz IMAOILQWEATQCR-RNFRBKRXSA-N 0 0 183.280 2.302 10 0 AEAERN C[C@H]1CCC[C@@H]1n1cn[nH]c1=S 70833427 343535285 /nfs/dbraw/zinc/53/52/85/343535285.db2.gz IMAOILQWEATQCR-BQBZGAKWSA-N 0 0 183.280 2.302 10 0 AEAERN C[C@@H]1CCC[C@@H]1n1cn[nH]c1=S 70833424 343535306 /nfs/dbraw/zinc/53/53/06/343535306.db2.gz IMAOILQWEATQCR-RQJHMYQMSA-N 0 0 183.280 2.302 10 0 AEAERN C[C@H]1CCC[C@H]1n1cn[nH]c1=S 70833431 343535314 /nfs/dbraw/zinc/53/53/14/343535314.db2.gz IMAOILQWEATQCR-NKWVEPMBSA-N 0 0 183.280 2.302 10 0 AEAERN CCn1c(Cl)nnc1C(C)C 71053089 343550299 /nfs/dbraw/zinc/55/02/99/343550299.db2.gz USYBRVPBLBNISS-UHFFFAOYSA-N 0 0 173.647 2.075 10 0 AEAERN Cc1ncsc1Cn1cccc1 70837421 343536476 /nfs/dbraw/zinc/53/64/76/343536476.db2.gz UIOQTZKSLOMXBR-UHFFFAOYSA-N 0 0 178.260 2.301 10 0 AEAERN Cc1ccsc1-c1nc(N)ns1 70839300 343536780 /nfs/dbraw/zinc/53/67/80/343536780.db2.gz WCHCJWXKKGMALC-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN C[C@@H](Cc1nc(N)ns1)C(C)(C)C 70839370 343536785 /nfs/dbraw/zinc/53/67/85/343536785.db2.gz LIVIEYDTMKTUQL-LURJTMIESA-N 0 0 199.323 2.345 10 0 AEAERN CCC[C@H](C)c1nc(N)ns1 70839340 343536814 /nfs/dbraw/zinc/53/68/14/343536814.db2.gz KBNOPHZVIDALPY-YFKPBYRVSA-N 0 0 171.269 2.024 10 0 AEAERN CCC[C@@H](C)c1nc(N)ns1 70839339 343536822 /nfs/dbraw/zinc/53/68/22/343536822.db2.gz KBNOPHZVIDALPY-RXMQYKEDSA-N 0 0 171.269 2.024 10 0 AEAERN Cc1ccc(-c2nc(N)ns2)s1 70839127 343536841 /nfs/dbraw/zinc/53/68/41/343536841.db2.gz CXOUIBQZXPSRMB-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN C[C@H](Cc1nc(N)ns1)C(C)(C)C 70839373 343536922 /nfs/dbraw/zinc/53/69/22/343536922.db2.gz LIVIEYDTMKTUQL-ZCFIWIBFSA-N 0 0 199.323 2.345 10 0 AEAERN Cc1cccc(-c2nc(N)ns2)c1 70839480 343536963 /nfs/dbraw/zinc/53/69/63/343536963.db2.gz AWUBBFKENYOZTR-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN CCC(CC)c1nc(N)ns1 70839455 343536981 /nfs/dbraw/zinc/53/69/81/343536981.db2.gz BTJCDFWEWGLXNK-UHFFFAOYSA-N 0 0 171.269 2.024 10 0 AEAERN Nc1nsc(CC2CCCCC2)n1 70839013 343536982 /nfs/dbraw/zinc/53/69/82/343536982.db2.gz CLPVKXAJQCXXSQ-UHFFFAOYSA-N 0 0 197.307 2.243 10 0 AEAERN CC(C)c1nc([C@H](C)O)cs1 70843371 343537195 /nfs/dbraw/zinc/53/71/95/343537195.db2.gz MIIVKQKSNYAOQD-LURJTMIESA-N 0 0 171.265 2.320 10 0 AEAERN CC(C)c1nc([C@@H](C)O)cs1 70843363 343537295 /nfs/dbraw/zinc/53/72/95/343537295.db2.gz MIIVKQKSNYAOQD-ZCFIWIBFSA-N 0 0 171.265 2.320 10 0 AEAERN C[C@@H](O)c1csc(-c2ccoc2)n1 70843343 343537335 /nfs/dbraw/zinc/53/73/35/343537335.db2.gz WMBBHGKVMRDJRT-ZCFIWIBFSA-N 0 0 195.243 2.456 10 0 AEAERN C[C@H](O)c1csc(-c2ccco2)n1 70843094 343537496 /nfs/dbraw/zinc/53/74/96/343537496.db2.gz GNHLIXYJXNKRKO-LURJTMIESA-N 0 0 195.243 2.456 10 0 AEAERN CC(C)Cc1nc([C@H](C)O)cs1 70843862 343537775 /nfs/dbraw/zinc/53/77/75/343537775.db2.gz VLIIYBYTFJFQBA-ZETCQYMHSA-N 0 0 185.292 2.395 10 0 AEAERN CC(C)Cc1nc([C@@H](C)O)cs1 70843856 343537807 /nfs/dbraw/zinc/53/78/07/343537807.db2.gz VLIIYBYTFJFQBA-SSDOTTSWSA-N 0 0 185.292 2.395 10 0 AEAERN CCCc1cc(C2CC2)nc(NC)n1 70952379 343543739 /nfs/dbraw/zinc/54/37/39/343543739.db2.gz SWMYBURQMBPNQD-UHFFFAOYSA-N 0 0 191.278 2.348 10 0 AEAERN CNc1nc(C2CC2)cc(C2CC2)n1 70952383 343543789 /nfs/dbraw/zinc/54/37/89/343543789.db2.gz OTXWUFPKDCIUAU-UHFFFAOYSA-N 0 0 189.262 2.273 10 0 AEAERN CCCc1cc(C(C)C)nc(N)n1 70952339 343543907 /nfs/dbraw/zinc/54/39/07/343543907.db2.gz YNRSTMKMZIQHCK-UHFFFAOYSA-N 0 0 179.267 2.135 10 0 AEAERN CC(C)c1cc(C2CC2)nc(N)n1 70952346 343543947 /nfs/dbraw/zinc/54/39/47/343543947.db2.gz NEYGCHQLFSFWBG-UHFFFAOYSA-N 0 0 177.251 2.060 10 0 AEAERN CC(C)c1cc(C(C)C)nc(N)n1 70952342 343544016 /nfs/dbraw/zinc/54/40/16/343544016.db2.gz NKYPASVNCJOVPO-UHFFFAOYSA-N 0 0 179.267 2.306 10 0 AEAERN CCc1cc(C(C)C)nc(NC)n1 70952228 343544085 /nfs/dbraw/zinc/54/40/85/343544085.db2.gz BITAFEIMYWODSH-UHFFFAOYSA-N 0 0 179.267 2.204 10 0 AEAERN CNc1nccc(C2CCCC2)n1 70951534 343544086 /nfs/dbraw/zinc/54/40/86/343544086.db2.gz YNIBBFWJXRIZOD-UHFFFAOYSA-N 0 0 177.251 2.176 10 0 AEAERN Fc1ccc(N[C@@H]2CCOC2)c(F)c1 70964028 343545125 /nfs/dbraw/zinc/54/51/25/343545125.db2.gz VICLGCNMNKZEHY-MRVPVSSYSA-N 0 0 199.200 2.166 10 0 AEAERN Fc1ccc(N[C@H]2CCOC2)cc1F 70963855 343545142 /nfs/dbraw/zinc/54/51/42/343545142.db2.gz TVWGRCQSKSFEPD-QMMMGPOBSA-N 0 0 199.200 2.166 10 0 AEAERN Fc1ccc(N[C@H]2CCOC2)c(F)c1 70964035 343545196 /nfs/dbraw/zinc/54/51/96/343545196.db2.gz VICLGCNMNKZEHY-QMMMGPOBSA-N 0 0 199.200 2.166 10 0 AEAERN Fc1cccc(F)c1N[C@H]1CCOC1 70965223 343545289 /nfs/dbraw/zinc/54/52/89/343545289.db2.gz AMVLJZHGHXWDDR-ZETCQYMHSA-N 0 0 199.200 2.166 10 0 AEAERN Fc1ccc(N[C@@H]2CCOC2)cc1F 70963852 343545366 /nfs/dbraw/zinc/54/53/66/343545366.db2.gz TVWGRCQSKSFEPD-MRVPVSSYSA-N 0 0 199.200 2.166 10 0 AEAERN Fc1cccc(F)c1N[C@@H]1CCOC1 70965221 343545421 /nfs/dbraw/zinc/54/54/21/343545421.db2.gz AMVLJZHGHXWDDR-SSDOTTSWSA-N 0 0 199.200 2.166 10 0 AEAERN Fc1cccc(N[C@H]2CCOC2)c1F 70968134 343545693 /nfs/dbraw/zinc/54/56/93/343545693.db2.gz SEKISTGJHITSNF-ZETCQYMHSA-N 0 0 199.200 2.166 10 0 AEAERN Fc1cccc(N[C@@H]2CCOC2)c1F 70968132 343545740 /nfs/dbraw/zinc/54/57/40/343545740.db2.gz SEKISTGJHITSNF-SSDOTTSWSA-N 0 0 199.200 2.166 10 0 AEAERN CNc1nc(C)nc2c1CCCCC2 71002722 343547281 /nfs/dbraw/zinc/54/72/81/343547281.db2.gz KRFLMVKGPHRYTA-UHFFFAOYSA-N 0 0 191.278 2.096 10 0 AEAERN CCNc1ncnc2c1CCCCC2 71002739 343547651 /nfs/dbraw/zinc/54/76/51/343547651.db2.gz BKYHFEHPVMFHFE-UHFFFAOYSA-N 0 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UBCJWOQMJZKYPG-RQJHMYQMSA-N 0 0 197.303 2.321 10 0 AEAERN CCCc1csc([C@H](C)O)n1 71026683 343549424 /nfs/dbraw/zinc/54/94/24/343549424.db2.gz VDEGYGBFQNGICP-LURJTMIESA-N 0 0 171.265 2.149 10 0 AEAERN CCCc1csc([C@@H](C)O)n1 71026681 343549427 /nfs/dbraw/zinc/54/94/27/343549427.db2.gz VDEGYGBFQNGICP-ZCFIWIBFSA-N 0 0 171.265 2.149 10 0 AEAERN CCc1nc(C(C)=O)sc1C 71026789 343549456 /nfs/dbraw/zinc/54/94/56/343549456.db2.gz CYKWHJKRMKYSPM-UHFFFAOYSA-N 0 0 169.249 2.217 10 0 AEAERN C[C@H]1CCc2nc([C@@H](C)O)sc2C1 71026620 343549471 /nfs/dbraw/zinc/54/94/71/343549471.db2.gz UBCJWOQMJZKYPG-NKWVEPMBSA-N 0 0 197.303 2.321 10 0 AEAERN CC(C)c1csc([C@@H](C)O)n1 71026658 343549530 /nfs/dbraw/zinc/54/95/30/343549530.db2.gz ZEHQEDGGUDDDST-ZCFIWIBFSA-N 0 0 171.265 2.320 10 0 AEAERN C[C@H]1CCc2nc([C@H](C)O)sc2C1 71026622 343549534 /nfs/dbraw/zinc/54/95/34/343549534.db2.gz UBCJWOQMJZKYPG-BQBZGAKWSA-N 0 0 197.303 2.321 10 0 AEAERN CC(C)c1csc([C@H](C)O)n1 71026661 343549554 /nfs/dbraw/zinc/54/95/54/343549554.db2.gz ZEHQEDGGUDDDST-LURJTMIESA-N 0 0 171.265 2.320 10 0 AEAERN CCc1nc([C@@H](C)O)sc1C 71026642 343549575 /nfs/dbraw/zinc/54/95/75/343549575.db2.gz BEQRCXGUZVZQOT-RXMQYKEDSA-N 0 0 171.265 2.067 10 0 AEAERN C[C@@H]1CCc2nc([C@@H](C)O)sc2C1 71026618 343549577 /nfs/dbraw/zinc/54/95/77/343549577.db2.gz UBCJWOQMJZKYPG-RNFRBKRXSA-N 0 0 197.303 2.321 10 0 AEAERN Clc1nnc(-c2ccco2)s1 71050297 343549618 /nfs/dbraw/zinc/54/96/18/343549618.db2.gz ZNCQPBOTMWUZAZ-UHFFFAOYSA-N 0 0 186.623 2.452 10 0 AEAERN CC(C)[C@@H](C)n1cnnc1Cl 71052513 343549624 /nfs/dbraw/zinc/54/96/24/343549624.db2.gz GRUNTBWSXCBIKE-ZCFIWIBFSA-N 0 0 173.647 2.149 10 0 AEAERN Clc1nnc(-c2ccoc2)s1 71050283 343549628 /nfs/dbraw/zinc/54/96/28/343549628.db2.gz RPOFVBWQKFEPRF-UHFFFAOYSA-N 0 0 186.623 2.452 10 0 AEAERN COc1cc(F)cc2c1NC[C@H](C)C2 71049872 343549679 /nfs/dbraw/zinc/54/96/79/343549679.db2.gz GMHPECMBLODKRL-SSDOTTSWSA-N 0 0 195.237 2.438 10 0 AEAERN C[C@@H]1C[C@@H]1c1nnc(Cl)s1 71050815 343549687 /nfs/dbraw/zinc/54/96/87/343549687.db2.gz UGMXSXMTRKJSIJ-DMTCNVIQSA-N 0 0 174.656 2.315 10 0 AEAERN Clc1nnc(-c2cccnc2)s1 71050439 343549699 /nfs/dbraw/zinc/54/96/99/343549699.db2.gz ANNHMBIIZDHQOQ-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN Cc1nnc(Cl)n1[C@H](C)C(C)C 71052511 343549729 /nfs/dbraw/zinc/54/97/29/343549729.db2.gz YMLJWSYCNNRBNP-ZCFIWIBFSA-N 0 0 187.674 2.457 10 0 AEAERN Clc1nnc(CC2CC2)s1 71051097 343549769 /nfs/dbraw/zinc/54/97/69/343549769.db2.gz ACDUJWFWRQEXIW-UHFFFAOYSA-N 0 0 174.656 2.144 10 0 AEAERN CC(C)[C@H](C)n1cnnc1Cl 71052515 343549786 /nfs/dbraw/zinc/54/97/86/343549786.db2.gz GRUNTBWSXCBIKE-LURJTMIESA-N 0 0 173.647 2.149 10 0 AEAERN COc1cc(F)cc2c1NC[C@@H](C)C2 71049875 343549790 /nfs/dbraw/zinc/54/97/90/343549790.db2.gz GMHPECMBLODKRL-ZETCQYMHSA-N 0 0 195.237 2.438 10 0 AEAERN C[C@H]1C[C@@H]1c1nnc(Cl)s1 71050817 343549816 /nfs/dbraw/zinc/54/98/16/343549816.db2.gz UGMXSXMTRKJSIJ-IMJSIDKUSA-N 0 0 174.656 2.315 10 0 AEAERN Clc1nnc(C2CCC2)s1 71050829 343549819 /nfs/dbraw/zinc/54/98/19/343549819.db2.gz ISAHFRMGGFEKJT-UHFFFAOYSA-N 0 0 174.656 2.459 10 0 AEAERN C[C@H]1C[C@H]1c1nnc(Cl)s1 71050822 343549833 /nfs/dbraw/zinc/54/98/33/343549833.db2.gz UGMXSXMTRKJSIJ-IUYQGCFVSA-N 0 0 174.656 2.315 10 0 AEAERN Clc1nnc([C@H]2CCCO2)s1 71050572 343549875 /nfs/dbraw/zinc/54/98/75/343549875.db2.gz KPOJYLPMMPRIIG-SCSAIBSYSA-N 0 0 190.655 2.043 10 0 AEAERN Cc1nnc(Cl)n1[C@@H](C)C(C)C 71052510 343549896 /nfs/dbraw/zinc/54/98/96/343549896.db2.gz YMLJWSYCNNRBNP-LURJTMIESA-N 0 0 187.674 2.457 10 0 AEAERN Fc1cccc(-n2cnnc2Cl)c1 71052551 343549904 /nfs/dbraw/zinc/54/99/04/343549904.db2.gz LVRXHJJEHCLCPL-UHFFFAOYSA-N 0 0 197.600 2.060 10 0 AEAERN C[C@@H]1C[C@H]1c1nnc(Cl)s1 71050820 343549953 /nfs/dbraw/zinc/54/99/53/343549953.db2.gz UGMXSXMTRKJSIJ-QWWZWVQMSA-N 0 0 174.656 2.315 10 0 AEAERN CC(C)c1nnc(Cl)n1CC1CC1 71052613 343549925 /nfs/dbraw/zinc/54/99/25/343549925.db2.gz CWEFPCFZYBYGJJ-UHFFFAOYSA-N 0 0 199.685 2.465 10 0 AEAERN Clc1nnc(-c2ccncc2)s1 71050456 343549968 /nfs/dbraw/zinc/54/99/68/343549968.db2.gz HXHGSDFQLPBUPB-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN Clc1nnc([C@@H]2CCCO2)s1 71050575 343550006 /nfs/dbraw/zinc/55/00/06/343550006.db2.gz KPOJYLPMMPRIIG-BYPYZUCNSA-N 0 0 190.655 2.043 10 0 AEAERN Clc1nnc(C2CC2)n1C1CC1 71053106 343550124 /nfs/dbraw/zinc/55/01/24/343550124.db2.gz VEJKCYFZYRHBNX-UHFFFAOYSA-N 0 0 183.642 2.144 10 0 AEAERN CC[C@@H](C)n1c(C)nnc1Cl 71052960 343550126 /nfs/dbraw/zinc/55/01/26/343550126.db2.gz PZLIDDQBZUMLDE-RXMQYKEDSA-N 0 0 173.647 2.211 10 0 AEAERN CCC[C@@H](C)n1cnnc1Cl 71052834 343550130 /nfs/dbraw/zinc/55/01/30/343550130.db2.gz JLWLXDBMNDGNBS-ZCFIWIBFSA-N 0 0 173.647 2.293 10 0 AEAERN Cc1cccc(-n2cnnc2Cl)c1 71053416 343550160 /nfs/dbraw/zinc/55/01/60/343550160.db2.gz GPORNJAWTQVKBW-UHFFFAOYSA-N 0 0 193.637 2.229 10 0 AEAERN CCn1c(Cl)nnc1C(C)(C)C 71053093 343550163 /nfs/dbraw/zinc/55/01/63/343550163.db2.gz MWOAMEUIRCMHOX-UHFFFAOYSA-N 0 0 187.674 2.249 10 0 AEAERN CC(C)c1nnc(Cl)n1C1CC1 71053103 343550174 /nfs/dbraw/zinc/55/01/74/343550174.db2.gz VXDLCTONDKTIKH-UHFFFAOYSA-N 0 0 185.658 2.390 10 0 AEAERN Clc1nnc(C2CC2)n1CC1CC1 71052616 343550177 /nfs/dbraw/zinc/55/01/77/343550177.db2.gz SQLJKTHJLOHPNY-UHFFFAOYSA-N 0 0 197.669 2.219 10 0 AEAERN Clc1nncn1C1CCCC1 71053135 343550183 /nfs/dbraw/zinc/55/01/83/343550183.db2.gz UIQVNEJLVIJXPY-UHFFFAOYSA-N 0 0 171.631 2.047 10 0 AEAERN Cc1nnc(Cl)n1[C@@H](C)C1CC1 71053671 343550200 /nfs/dbraw/zinc/55/02/00/343550200.db2.gz BDGRBDKIPYFLCS-YFKPBYRVSA-N 0 0 185.658 2.211 10 0 AEAERN CCCc1nnc(Cl)n1C1CC1 71053102 343550217 /nfs/dbraw/zinc/55/02/17/343550217.db2.gz PZDQETUYWMTOTQ-UHFFFAOYSA-N 0 0 185.658 2.219 10 0 AEAERN Cc1nnc(Cl)n1CC1CCCC1 71053606 343550229 /nfs/dbraw/zinc/55/02/29/343550229.db2.gz SSOMSZIMMUYAEW-UHFFFAOYSA-N 0 0 199.685 2.430 10 0 AEAERN CCc1nnc(Cl)n1[C@H](C)CC 71052968 343550240 /nfs/dbraw/zinc/55/02/40/343550240.db2.gz WFEIASRONXLIRD-ZCFIWIBFSA-N 0 0 187.674 2.465 10 0 AEAERN CC[C@H](C)n1c(C)nnc1Cl 71052962 343550257 /nfs/dbraw/zinc/55/02/57/343550257.db2.gz PZLIDDQBZUMLDE-YFKPBYRVSA-N 0 0 173.647 2.211 10 0 AEAERN CCc1nnc(Cl)n1[C@@H](C)C1CC1 71053680 343550263 /nfs/dbraw/zinc/55/02/63/343550263.db2.gz NDBXURHWFQVFNF-LURJTMIESA-N 0 0 199.685 2.465 10 0 AEAERN Cc1nnc(Cl)n1CC1CCC1 71053527 343550270 /nfs/dbraw/zinc/55/02/70/343550270.db2.gz PCZBQDSZCBPHQJ-UHFFFAOYSA-N 0 0 185.658 2.040 10 0 AEAERN Clc1nncn1C1CCCCC1 71053205 343550279 /nfs/dbraw/zinc/55/02/79/343550279.db2.gz OJDSCXYPDJDUSE-UHFFFAOYSA-N 0 0 185.658 2.437 10 0 AEAERN CCc1nnc(Cl)n1C(C)C 71052667 343550282 /nfs/dbraw/zinc/55/02/82/343550282.db2.gz RRFXZFFHEGDWOJ-UHFFFAOYSA-N 0 0 173.647 2.075 10 0 AEAERN Cc1ccccc1-n1cnnc1Cl 71053445 343550290 /nfs/dbraw/zinc/55/02/90/343550290.db2.gz RUFMKTACNMEPJY-UHFFFAOYSA-N 0 0 193.637 2.229 10 0 AEAERN Fc1ccc(-n2cnnc2Cl)cc1 71052993 343550294 /nfs/dbraw/zinc/55/02/94/343550294.db2.gz UIBONBQZBNGCBQ-UHFFFAOYSA-N 0 0 197.600 2.060 10 0 AEAERN CC(C)n1c(Cl)nnc1C1CC1 71052671 343550296 /nfs/dbraw/zinc/55/02/96/343550296.db2.gz KZDOXCBTTJQRHG-UHFFFAOYSA-N 0 0 185.658 2.390 10 0 AEAERN CCCn1c(Cl)nnc1C1CC1 71053175 343550307 /nfs/dbraw/zinc/55/03/07/343550307.db2.gz HFYURYVSVMCLCS-UHFFFAOYSA-N 0 0 185.658 2.219 10 0 AEAERN CCc1nnc(Cl)n1[C@@H](C)CC 71052967 343550320 /nfs/dbraw/zinc/55/03/20/343550320.db2.gz WFEIASRONXLIRD-LURJTMIESA-N 0 0 187.674 2.465 10 0 AEAERN CCCc1nnc(Cl)n1C(C)C 71052668 343550332 /nfs/dbraw/zinc/55/03/32/343550332.db2.gz YINJAIHQIPCRSR-UHFFFAOYSA-N 0 0 187.674 2.465 10 0 AEAERN Cc1nnc(Cl)n1C1CCCC1 71053133 343550347 /nfs/dbraw/zinc/55/03/47/343550347.db2.gz MLOXESYCBZVFAX-UHFFFAOYSA-N 0 0 185.658 2.355 10 0 AEAERN CCCn1c(Cl)nnc1C(C)C 71053173 343550351 /nfs/dbraw/zinc/55/03/51/343550351.db2.gz JWMPPMIQAUBERU-UHFFFAOYSA-N 0 0 187.674 2.465 10 0 AEAERN CCC(CC)n1cnnc1Cl 71053151 343550358 /nfs/dbraw/zinc/55/03/58/343550358.db2.gz XKBBARGOGDAZPS-UHFFFAOYSA-N 0 0 173.647 2.293 10 0 AEAERN Fc1ccccc1-n1cnnc1Cl 71053036 343550362 /nfs/dbraw/zinc/55/03/62/343550362.db2.gz DYWXTRLRGVVJFN-UHFFFAOYSA-N 0 0 197.600 2.060 10 0 AEAERN CCC(C)(C)n1c(C)nnc1Cl 71053183 343550366 /nfs/dbraw/zinc/55/03/66/343550366.db2.gz YMELSAGFTSWFOH-UHFFFAOYSA-N 0 0 187.674 2.385 10 0 AEAERN CCc1nnc(Cl)n1[C@H](C)C1CC1 71053682 343550368 /nfs/dbraw/zinc/55/03/68/343550368.db2.gz NDBXURHWFQVFNF-ZCFIWIBFSA-N 0 0 199.685 2.465 10 0 AEAERN Cc1nnc(Cl)n1[C@H](C)C1CC1 71053674 343550372 /nfs/dbraw/zinc/55/03/72/343550372.db2.gz BDGRBDKIPYFLCS-RXMQYKEDSA-N 0 0 185.658 2.211 10 0 AEAERN Clc1nncn1CC1CCCC1 71053610 343550381 /nfs/dbraw/zinc/55/03/81/343550381.db2.gz HPPDNLFVUOTIPS-UHFFFAOYSA-N 0 0 185.658 2.122 10 0 AEAERN CCc1nnc(Cl)n1CC1CCC1 71053531 343550388 /nfs/dbraw/zinc/55/03/88/343550388.db2.gz KJMQYHQYRZABGR-UHFFFAOYSA-N 0 0 199.685 2.294 10 0 AEAERN CCCCn1c(C)nnc1Cl 71052698 343550405 /nfs/dbraw/zinc/55/04/05/343550405.db2.gz HHISRWINRKCZSC-UHFFFAOYSA-N 0 0 173.647 2.040 10 0 AEAERN CCC[C@H](C)n1cnnc1Cl 71052836 343550415 /nfs/dbraw/zinc/55/04/15/343550415.db2.gz JLWLXDBMNDGNBS-LURJTMIESA-N 0 0 173.647 2.293 10 0 AEAERN CCC(C)(C)n1cnnc1Cl 71053185 343550429 /nfs/dbraw/zinc/55/04/29/343550429.db2.gz HRFRFAJGJNWBFI-UHFFFAOYSA-N 0 0 173.647 2.077 10 0 AEAERN Clc1nncn1Cc1cccs1 71054148 343550583 /nfs/dbraw/zinc/55/05/83/343550583.db2.gz FNCMQZWMGIBFFO-UHFFFAOYSA-N 0 0 199.666 2.041 10 0 AEAERN Clc1nncn1Cc1ccsc1 71055933 343550594 /nfs/dbraw/zinc/55/05/94/343550594.db2.gz HNVZLPDSNIWYGC-UHFFFAOYSA-N 0 0 199.666 2.041 10 0 AEAERN CCCc1nnc(Cl)n1[C@@H]1C[C@@H]1C 71055438 343550600 /nfs/dbraw/zinc/55/06/00/343550600.db2.gz WYEVYJXQWBDIQP-NKWVEPMBSA-N 0 0 199.685 2.465 10 0 AEAERN C[C@@H]1C[C@@H]1n1c(Cl)nnc1C1CC1 71055464 343550611 /nfs/dbraw/zinc/55/06/11/343550611.db2.gz RUFHJXVSASVGOA-VDTYLAMSSA-N 0 0 197.669 2.390 10 0 AEAERN CCc1nnc(Cl)n1[C@H]1C[C@H]1C 71055434 343550638 /nfs/dbraw/zinc/55/06/38/343550638.db2.gz XEJNAFDEANAZIR-RITPCOANSA-N 0 0 185.658 2.075 10 0 AEAERN C[C@@H]1CCC[C@H]1n1cnnc1Cl 71055611 343550690 /nfs/dbraw/zinc/55/06/90/343550690.db2.gz UGGBFPFALKJUTG-RNFRBKRXSA-N 0 0 185.658 2.293 10 0 AEAERN CCc1nnc(Cl)n1[C@H]1C[C@@H]1C 71055426 343550697 /nfs/dbraw/zinc/55/06/97/343550697.db2.gz XEJNAFDEANAZIR-WDSKDSINSA-N 0 0 185.658 2.075 10 0 AEAERN C[C@@H]1CCC[C@@H]1n1cnnc1Cl 71055606 343550708 /nfs/dbraw/zinc/55/07/08/343550708.db2.gz UGGBFPFALKJUTG-RQJHMYQMSA-N 0 0 185.658 2.293 10 0 AEAERN CCc1nnc(Cl)n1[C@@H]1C[C@@H]1C 71055421 343550729 /nfs/dbraw/zinc/55/07/29/343550729.db2.gz XEJNAFDEANAZIR-NTSWFWBYSA-N 0 0 185.658 2.075 10 0 AEAERN Cc1nnc(Cl)n1[C@@H]1CC1(C)C 71056430 343550733 /nfs/dbraw/zinc/55/07/33/343550733.db2.gz FVXWOSVLVPMPRX-ZCFIWIBFSA-N 0 0 185.658 2.211 10 0 AEAERN Cc1nnc(Cl)n1CC(C)(C)C 71055836 343550741 /nfs/dbraw/zinc/55/07/41/343550741.db2.gz VCMKPFHXCGPKBR-UHFFFAOYSA-N 0 0 187.674 2.286 10 0 AEAERN C[C@@H]1C[C@H]1n1c(Cl)nnc1C1CC1 71055473 343550774 /nfs/dbraw/zinc/55/07/74/343550774.db2.gz RUFHJXVSASVGOA-IYSWYEEDSA-N 0 0 197.669 2.390 10 0 AEAERN CCc1nnc(Cl)n1[C@@H]1C[C@H]1C 71055430 343550782 /nfs/dbraw/zinc/55/07/82/343550782.db2.gz XEJNAFDEANAZIR-PHDIDXHHSA-N 0 0 185.658 2.075 10 0 AEAERN CCc1nnc(Cl)n1[C@H]1CC1(C)C 71056444 343550798 /nfs/dbraw/zinc/55/07/98/343550798.db2.gz QPTDFFGCRAASMU-LURJTMIESA-N 0 0 199.685 2.465 10 0 AEAERN CCCc1nnc(Cl)n1[C@@H]1C[C@H]1C 71055442 343550866 /nfs/dbraw/zinc/55/08/66/343550866.db2.gz WYEVYJXQWBDIQP-RNFRBKRXSA-N 0 0 199.685 2.465 10 0 AEAERN C[C@H]1C[C@H]1n1c(Cl)nnc1C1CC1 71055476 343550883 /nfs/dbraw/zinc/55/08/83/343550883.db2.gz RUFHJXVSASVGOA-CAHLUQPWSA-N 0 0 197.669 2.390 10 0 AEAERN CCc1nnc(Cl)n1[C@@H]1CC1(C)C 71056440 343550913 /nfs/dbraw/zinc/55/09/13/343550913.db2.gz QPTDFFGCRAASMU-ZCFIWIBFSA-N 0 0 199.685 2.465 10 0 AEAERN C[C@H]1C[C@@H]1n1c(Cl)nnc1C1CC1 71055468 343550923 /nfs/dbraw/zinc/55/09/23/343550923.db2.gz RUFHJXVSASVGOA-FSPLSTOPSA-N 0 0 197.669 2.390 10 0 AEAERN C[C@H]1CCC[C@H]1n1cnnc1Cl 71055615 343550942 /nfs/dbraw/zinc/55/09/42/343550942.db2.gz UGGBFPFALKJUTG-NKWVEPMBSA-N 0 0 185.658 2.293 10 0 AEAERN C[C@H]1CCC[C@@H]1n1cnnc1Cl 71055609 343550979 /nfs/dbraw/zinc/55/09/79/343550979.db2.gz UGGBFPFALKJUTG-BQBZGAKWSA-N 0 0 185.658 2.293 10 0 AEAERN CCCc1nnc(Cl)n1[C@H]1C[C@@H]1C 71055440 343550999 /nfs/dbraw/zinc/55/09/99/343550999.db2.gz WYEVYJXQWBDIQP-BQBZGAKWSA-N 0 0 199.685 2.465 10 0 AEAERN CCc1nnc(Cl)n1C1CCC1 71055362 343551001 /nfs/dbraw/zinc/55/10/01/343551001.db2.gz PJZMFFMPFWUMPP-UHFFFAOYSA-N 0 0 185.658 2.219 10 0 AEAERN CC(C)c1ccnc(NC2CC2)n1 71298010 343551740 /nfs/dbraw/zinc/55/17/40/343551740.db2.gz IAYBLWVUEYGBOD-UHFFFAOYSA-N 0 0 177.251 2.174 10 0 AEAERN C[C@H](NO)c1c[nH]c2ccccc12 71340593 343551976 /nfs/dbraw/zinc/55/19/76/343551976.db2.gz UDVKQSGRNGQKJY-ZETCQYMHSA-N 0 0 176.219 2.208 10 0 AEAERN CCc1cc(Cl)n2nc(C)cc2n1 71466718 343552793 /nfs/dbraw/zinc/55/27/93/343552793.db2.gz WIBPPNXJANEEFU-UHFFFAOYSA-N 0 0 195.653 2.254 10 0 AEAERN CC(C)Sc1ccc(C(N)=O)cc1 71454114 343552970 /nfs/dbraw/zinc/55/29/70/343552970.db2.gz LZJYAAMUERSBRK-UHFFFAOYSA-N 0 0 195.287 2.286 10 0 AEAERN Cc1ccc2c(c1)C(=O)C[C@H](C)N2 71481883 343553431 /nfs/dbraw/zinc/55/34/31/343553431.db2.gz JZXXXVMWLVZPOG-QMMMGPOBSA-N 0 0 175.231 2.382 10 0 AEAERN Cc1ccc2c(c1)C(=O)C[C@@H](C)N2 71481884 343553471 /nfs/dbraw/zinc/55/34/71/343553471.db2.gz JZXXXVMWLVZPOG-MRVPVSSYSA-N 0 0 175.231 2.382 10 0 AEAERN Cc1cc(C)c2c(=O)[nH]ccc2c1 71482381 343553589 /nfs/dbraw/zinc/55/35/89/343553589.db2.gz GUKPFROHOFPSBS-UHFFFAOYSA-N 0 0 173.215 2.145 10 0 AEAERN Cc1cc(C)c2c(=O)c(C)c[nH]c2c1 71489960 343554059 /nfs/dbraw/zinc/55/40/59/343554059.db2.gz XKGHLKIUHXIDHQ-UHFFFAOYSA-N 0 0 187.242 2.453 10 0 AEAERN CC(C)CC(=O)c1cc[nH]c1 71495415 343554089 /nfs/dbraw/zinc/55/40/89/343554089.db2.gz TXVXURSIXLCOMK-UHFFFAOYSA-N 0 0 151.209 2.244 10 0 AEAERN Cc1cc(C)c2[nH]cc(C)c(=O)c2c1 71489956 343554144 /nfs/dbraw/zinc/55/41/44/343554144.db2.gz XEQGQWIZMRZMRF-UHFFFAOYSA-N 0 0 187.242 2.453 10 0 AEAERN O=C(c1cc[nH]c1)c1cccs1 71497191 343554451 /nfs/dbraw/zinc/55/44/51/343554451.db2.gz NKNVZYGCPODSOK-UHFFFAOYSA-N 0 0 177.228 2.307 10 0 AEAERN O=C(c1cc[nH]c1)C1CCCC1 71495726 343554456 /nfs/dbraw/zinc/55/44/56/343554456.db2.gz BGBWRADDOGUTRT-UHFFFAOYSA-N 0 0 163.220 2.388 10 0 AEAERN O=C(c1ccc(F)cc1)c1cc[nH]c1 71500334 343555154 /nfs/dbraw/zinc/55/51/54/343555154.db2.gz RCQOGDGJPDSVBX-UHFFFAOYSA-N 0 0 189.189 2.385 10 0 AEAERN Cc1ccccc1-c1cnc(N)nc1 71499683 343555227 /nfs/dbraw/zinc/55/52/27/343555227.db2.gz JCWYFFHYQDJCIZ-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1cc(C)cc(-c2cnc(N)nc2)c1 71507895 343555705 /nfs/dbraw/zinc/55/57/05/343555705.db2.gz YCMVEJTUNNRILW-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1ccc(-c2cnc(N)nc2)cc1C 71507896 343555793 /nfs/dbraw/zinc/55/57/93/343555793.db2.gz YUTABMRQYJSKLZ-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1ccc(C)c(-c2cnc(N)nc2)c1 71507894 343555879 /nfs/dbraw/zinc/55/58/79/343555879.db2.gz RDOCABZZWQQIEW-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CCCCNC(=O)CCCSC 71541552 343556262 /nfs/dbraw/zinc/55/62/62/343556262.db2.gz FVLZXGIHAAQZBF-UHFFFAOYSA-N 0 0 189.324 2.046 10 0 AEAERN CSCCCC(=O)NC(C)(C)C 71541550 343556556 /nfs/dbraw/zinc/55/65/56/343556556.db2.gz LOSACVOBMUMWJA-UHFFFAOYSA-N 0 0 189.324 2.044 10 0 AEAERN CC[C@@H](C)NC(=O)CCCSC 71541541 343556611 /nfs/dbraw/zinc/55/66/11/343556611.db2.gz GMYKKTYYNFVKSW-MRVPVSSYSA-N 0 0 189.324 2.044 10 0 AEAERN CC[C@H](C)NC(=O)CCCSC 71541542 343556617 /nfs/dbraw/zinc/55/66/17/343556617.db2.gz GMYKKTYYNFVKSW-QMMMGPOBSA-N 0 0 189.324 2.044 10 0 AEAERN COC(=O)C[C@@H]1C=CC=CC1(C)C 71618616 343556958 /nfs/dbraw/zinc/55/69/58/343556958.db2.gz MDWJBNGLCWTOJT-VIFPVBQESA-N 0 0 180.247 2.318 10 0 AEAERN COC(=O)C[C@H]1C=CC=CC1(C)C 71618615 343556979 /nfs/dbraw/zinc/55/69/79/343556979.db2.gz MDWJBNGLCWTOJT-SECBINFHSA-N 0 0 180.247 2.318 10 0 AEAERN CC(F)=C(F)F 71611191 343557097 /nfs/dbraw/zinc/55/70/97/343557097.db2.gz LNGDLROYEAUMEQ-UHFFFAOYSA-N 0 0 96.051 2.084 10 0 AEAERN C/C(F)=C\Cl 71617645 343557108 /nfs/dbraw/zinc/55/71/08/343557108.db2.gz FPHYTGCIJLTSGB-NSCUHMNNSA-N 0 0 94.516 2.056 10 0 AEAERN CCc1ccc(C(C)=O)cc1O 71621565 343557163 /nfs/dbraw/zinc/55/71/63/343557163.db2.gz CHGLHDYZTVAACJ-UHFFFAOYSA-N 0 0 164.204 2.157 10 0 AEAERN CCC(=O)Oc1c[nH]c2ccccc12 71789525 343558351 /nfs/dbraw/zinc/55/83/51/343558351.db2.gz PBMFUBPKVFLXQY-UHFFFAOYSA-N 0 0 189.214 2.483 10 0 AEAERN Clc1cnc(-c2ccccn2)nc1 71864205 343559132 /nfs/dbraw/zinc/55/91/32/343559132.db2.gz VENHDHLHXFLMNR-UHFFFAOYSA-N 0 0 191.621 2.192 10 0 AEAERN CN(C)C=Cc1ccc2[nH]ccc2n1 71973295 343559203 /nfs/dbraw/zinc/55/92/03/343559203.db2.gz HOKDJLWMNKIEOQ-SOFGYWHQSA-N 0 0 187.246 2.095 10 0 AEAERN Cc1nc(-c2cccc3ccnn23)c[nH]1 72151370 343559249 /nfs/dbraw/zinc/55/92/49/343559249.db2.gz LHXQCDLVXXIUQW-UHFFFAOYSA-N 0 0 198.229 2.033 10 0 AEAERN C1=C2C=c3cccc4ccc(c2c34)=CC1 72099263 343559496 /nfs/dbraw/zinc/55/94/96/343559496.db2.gz RFZLRNXRDOKPTJ-UHFFFAOYSA-N 0 0 190.245 2.202 10 0 AEAERN Cc1ccccc1-c1ncc(O)cn1 72192044 343559900 /nfs/dbraw/zinc/55/99/00/343559900.db2.gz NCKSVCXSNVWXAZ-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN C[C@H]1CCCCN1c1csc(N)n1 72192585 343559914 /nfs/dbraw/zinc/55/99/14/343559914.db2.gz SZGAXIIQTDBSTI-ZETCQYMHSA-N 0 0 197.307 2.104 10 0 AEAERN Cc1cccc(-c2ncc(O)cn2)c1 72192045 343559950 /nfs/dbraw/zinc/55/99/50/343559950.db2.gz FHFOCEUHICQWBJ-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN C[C@H]1CCCCN1c1ncc(N)s1 72192565 343560201 /nfs/dbraw/zinc/56/02/01/343560201.db2.gz QCPPAJOOXNLZIE-ZETCQYMHSA-N 0 0 197.307 2.104 10 0 AEAERN Cc1ccccc1-c1c[nH]cn1 72194444 343560510 /nfs/dbraw/zinc/56/05/10/343560510.db2.gz XKLRJKGBERAFIL-UHFFFAOYSA-N 0 0 158.204 2.385 10 0 AEAERN Cc1cc2c(=O)cc[nH]c2cc1Cl 72237441 343567354 /nfs/dbraw/zinc/56/73/54/343567354.db2.gz GAXBASPQVOBTBC-UHFFFAOYSA-N 0 0 193.633 2.490 10 0 AEAERN Cc1cccc2c1ncc1c(N)onc12 72236938 343567391 /nfs/dbraw/zinc/56/73/91/343567391.db2.gz CUVYQYICQZZXTG-UHFFFAOYSA-N 0 0 199.213 2.267 10 0 AEAERN CC(C)Cc1n[nH]c(CC(C)C)n1 72236847 343567459 /nfs/dbraw/zinc/56/74/59/343567459.db2.gz SMGRSBDBQJLMGP-UHFFFAOYSA-N 0 0 181.283 2.202 10 0 AEAERN Cc1ccc2ncc3c(N)onc3c2c1 72237003 343567469 /nfs/dbraw/zinc/56/74/69/343567469.db2.gz OGHAQAHZHPCOIL-UHFFFAOYSA-N 0 0 199.213 2.267 10 0 AEAERN CC(C)Cc1nc(C(F)(F)F)n[nH]1 72236813 343567540 /nfs/dbraw/zinc/56/75/40/343567540.db2.gz KVPJNIHZGNKLNJ-UHFFFAOYSA-N 0 0 193.172 2.022 10 0 AEAERN CC(C)Cc1nc(C(C)(C)C)n[nH]1 72236844 343567551 /nfs/dbraw/zinc/56/75/51/343567551.db2.gz ZGQSHMFJCIDIHT-UHFFFAOYSA-N 0 0 181.283 2.301 10 0 AEAERN CCON(C)c1ccccc1 72232696 343567606 /nfs/dbraw/zinc/56/76/06/343567606.db2.gz PDENCFFGUHCHLV-UHFFFAOYSA-N 0 0 151.209 2.074 10 0 AEAERN CCC(C)(C)C(=O)N(C)CC1CC1 72251352 343568043 /nfs/dbraw/zinc/56/80/43/343568043.db2.gz KBUPLJNAPLRWHF-UHFFFAOYSA-N 0 0 183.295 2.291 10 0 AEAERN CC1=CC[C@@H]2C(=O)CCCC2=NO1 72416438 343570500 /nfs/dbraw/zinc/57/05/00/343570500.db2.gz BODLZSOSSOKSTP-QMMMGPOBSA-N 0 0 179.219 2.036 10 0 AEAERN Cc1ccnc2[nH]c(CC(C)C)nc12 74327183 343572078 /nfs/dbraw/zinc/57/20/78/343572078.db2.gz MAKKNIDTUHRVNX-UHFFFAOYSA-N 0 0 189.262 2.465 10 0 AEAERN COc1cc(C)c(C)cc1NC(C)=O 74983332 343575576 /nfs/dbraw/zinc/57/55/76/343575576.db2.gz BZBOFBPRJZRMHT-UHFFFAOYSA-N 0 0 193.246 2.270 10 0 AEAERN COc1cc(Cl)ccc1CC(C)=O 75068329 343575574 /nfs/dbraw/zinc/57/55/74/343575574.db2.gz WEFWQNWGSAQKSM-UHFFFAOYSA-N 0 0 198.649 2.480 10 0 AEAERN CCn1ccc(=N)nc1-c1ccccc1 75249765 343575801 /nfs/dbraw/zinc/57/58/01/343575801.db2.gz LPPNIEIJEDURAA-UHFFFAOYSA-N 0 0 199.257 2.049 10 0 AEAERN Cc1cnc(N[C@@H]2CCCOC2)s1 75124623 343576001 /nfs/dbraw/zinc/57/60/01/343576001.db2.gz DUVWKQPAIUCGBK-MRVPVSSYSA-N 0 0 198.291 2.042 10 0 AEAERN Cc1cnc(N[C@H]2CCCOC2)s1 75124626 343576186 /nfs/dbraw/zinc/57/61/86/343576186.db2.gz DUVWKQPAIUCGBK-QMMMGPOBSA-N 0 0 198.291 2.042 10 0 AEAERN O=C(Nc1ccnc(Cl)c1)C1CC1 75282738 343576541 /nfs/dbraw/zinc/57/65/41/343576541.db2.gz PZBSUDXFFYHJFC-UHFFFAOYSA-N 0 0 196.637 2.084 10 0 AEAERN CCc1noc2cc(O)ccc12 75545636 343577242 /nfs/dbraw/zinc/57/72/42/343577242.db2.gz JKBGIUSYZSSVET-UHFFFAOYSA-N 0 0 163.176 2.096 10 0 AEAERN Cc1coc2cc(O)ccc12 75538114 343577475 /nfs/dbraw/zinc/57/74/75/343577475.db2.gz QHWIITORDRWUMO-UHFFFAOYSA-N 0 0 148.161 2.447 10 0 AEAERN Cc1cnoc1-c1ccccc1O 75565125 343577557 /nfs/dbraw/zinc/57/75/57/343577557.db2.gz IWSCDJKCDAHERR-UHFFFAOYSA-N 0 0 175.187 2.356 10 0 AEAERN Cc1ccc(C(C)C)c(O)c1CO 75570052 343577590 /nfs/dbraw/zinc/57/75/90/343577590.db2.gz SKCXVVPAQZXSBM-UHFFFAOYSA-N 0 0 180.247 2.316 10 0 AEAERN CN(C)c1cccc2cccc(N)c12 75577344 343577713 /nfs/dbraw/zinc/57/77/13/343577713.db2.gz FLBYWFCYVBCYRQ-UHFFFAOYSA-N 0 0 186.258 2.488 10 0 AEAERN CN(C)c1cc(Cl)ccc1C=O 75576363 343577897 /nfs/dbraw/zinc/57/78/97/343577897.db2.gz OJHWJOORRFBHEF-UHFFFAOYSA-N 0 0 183.638 2.219 10 0 AEAERN CN(C)c1ccc(Cl)cc1C=O 75576362 343577960 /nfs/dbraw/zinc/57/79/60/343577960.db2.gz RAGQNZDOECKERZ-UHFFFAOYSA-N 0 0 183.638 2.219 10 0 AEAERN CCc1cnc(N)nc1-c1ccccc1 75601345 343578409 /nfs/dbraw/zinc/57/84/09/343578409.db2.gz RDGGZODQLVSILR-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN Cc1nc(C(=O)OC(C)(C)C)cs1 75838617 343578421 /nfs/dbraw/zinc/57/84/21/343578421.db2.gz SOLBSJNEIKRTJK-UHFFFAOYSA-N 0 0 199.275 2.407 10 0 AEAERN Cc1ccc2nc(C)n(C)c2c1 76209698 343579317 /nfs/dbraw/zinc/57/93/17/343579317.db2.gz ZAKUPYLPTSMSJE-UHFFFAOYSA-N 0 0 160.220 2.190 10 0 AEAERN C[C@H](Cn1ccnn1)c1ccccc1 77865933 343581041 /nfs/dbraw/zinc/58/10/41/343581041.db2.gz YELJIAJZJCUCCX-SNVBAGLBSA-N 0 0 187.246 2.082 10 0 AEAERN C[C@@H](Cn1ccnn1)c1ccccc1 77865930 343581091 /nfs/dbraw/zinc/58/10/91/343581091.db2.gz YELJIAJZJCUCCX-JTQLQIEISA-N 0 0 187.246 2.082 10 0 AEAERN C[C@H](O)c1cn(C)c2ccccc12 77265814 343581307 /nfs/dbraw/zinc/58/13/07/343581307.db2.gz LBTJFZTYFHFNBZ-QMMMGPOBSA-N 0 0 175.231 2.232 10 0 AEAERN CO/C=C/c1ccc(F)cc1 78008488 343581776 /nfs/dbraw/zinc/58/17/76/343581776.db2.gz GGTXHFSLTYEKPC-VOTSOKGWSA-N 0 0 152.168 2.443 10 0 AEAERN 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CCC(=O)Nc1cc(OC)ccc1F 87263329 343659455 /nfs/dbraw/zinc/65/94/55/343659455.db2.gz KHVUAQFTLLMJTN-UHFFFAOYSA-N 0 0 197.209 2.183 10 0 AEAERN Fc1ccc2c(c1)OCCCN2 87439576 343660774 /nfs/dbraw/zinc/66/07/74/343660774.db2.gz ZGDLYUJPTLTKJJ-UHFFFAOYSA-N 0 0 167.183 2.020 10 0 AEAERN CCNC(=O)c1sccc1Cl 87721516 343663527 /nfs/dbraw/zinc/66/35/27/343663527.db2.gz DHPQFRYRGPEBIO-UHFFFAOYSA-N 0 0 189.667 2.151 10 0 AEAERN CSc1nc(Cl)c(C=O)s1 87768884 343663576 /nfs/dbraw/zinc/66/35/76/343663576.db2.gz ONXNAKAUSFQTFV-UHFFFAOYSA-N 0 0 193.680 2.331 10 0 AEAERN CNC(=O)c1cc(C)cc(Cl)c1 87908365 343665603 /nfs/dbraw/zinc/66/56/03/343665603.db2.gz DGTSSBUBZYKGJW-UHFFFAOYSA-N 0 0 183.638 2.008 10 0 AEAERN Cc1cc(OCCCF)ccc1N 88023970 343665882 /nfs/dbraw/zinc/66/58/82/343665882.db2.gz RIQHDJZWRHWUBK-UHFFFAOYSA-N 0 0 183.226 2.316 10 0 in-vitro AEAERN COC(=O)C[C@@H](C)SCCCF 88024067 343665979 /nfs/dbraw/zinc/66/59/79/343665979.db2.gz CQOLJMGTXCEKBB-SSDOTTSWSA-N 0 0 194.271 2.031 10 0 AEAERN COC(=O)C[C@H](C)SCCCF 88024066 343666019 /nfs/dbraw/zinc/66/60/19/343666019.db2.gz CQOLJMGTXCEKBB-ZETCQYMHSA-N 0 0 194.271 2.031 10 0 AEAERN O=Cc1cccc(OCCCF)c1 88025395 343666243 /nfs/dbraw/zinc/66/62/43/343666243.db2.gz VHDJPLLXCUHWGK-UHFFFAOYSA-N 0 0 182.194 2.238 10 0 AEAERN Nc1cc([C@@H]2C[C@H]2c2ccccc2)[nH]n1 88077730 343667395 /nfs/dbraw/zinc/66/73/95/343667395.db2.gz ZHAGSPGBWURTQT-VHSXEESVSA-N 0 0 199.257 2.263 10 0 AEAERN CCc1cc(-c2cncnc2)ccc1N 88125632 343667796 /nfs/dbraw/zinc/66/77/96/343667796.db2.gz TYLPBIDWUDLLQO-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN CC(=O)N[C@H](C)c1cccc(C)c1 88162351 343668271 /nfs/dbraw/zinc/66/82/71/343668271.db2.gz MLLNJENRTAZELD-SECBINFHSA-N 0 0 177.247 2.192 10 0 AEAERN Cc1nc(-c2ccccc2)c(N)o1 88190062 343668807 /nfs/dbraw/zinc/66/88/07/343668807.db2.gz CLRUYYLRTLTWRL-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1cc(-c2c[nH]cn2)ccc1O 88189294 343668967 /nfs/dbraw/zinc/66/89/67/343668967.db2.gz URZLFLCSVCYESM-UHFFFAOYSA-N 0 0 174.203 2.091 10 0 AEAERN COc1nccc(Cl)c1C 88189861 343668991 /nfs/dbraw/zinc/66/89/91/343668991.db2.gz JZCHGVXZLZKNQY-UHFFFAOYSA-N 0 0 157.600 2.052 10 0 AEAERN C=Cc1cc(C)c(Cl)nn1 88314965 343670381 /nfs/dbraw/zinc/67/03/81/343670381.db2.gz UBCFUSYWNIMVEH-UHFFFAOYSA-N 0 0 154.600 2.081 10 0 AEAERN CCc1ncc(C=O)cc1Cl 88314994 343670440 /nfs/dbraw/zinc/67/04/40/343670440.db2.gz ARSDJVYKFGLXBY-UHFFFAOYSA-N 0 0 169.611 2.110 10 0 AEAERN C=Cc1ncc(C=O)cc1Cl 88314942 343670582 /nfs/dbraw/zinc/67/05/82/343670582.db2.gz YXTUDCPPCHMNGI-UHFFFAOYSA-N 0 0 167.595 2.191 10 0 AEAERN CNC(=O)c1cc2sccc2s1 88330188 343671207 /nfs/dbraw/zinc/67/12/07/343671207.db2.gz UCUZALHJSUOOLW-UHFFFAOYSA-N 0 0 197.284 2.322 10 0 AEAERN CCc1[nH]nc2c(OC)cccc12 89196048 343672166 /nfs/dbraw/zinc/67/21/66/343672166.db2.gz RDHIDNWHEVZUKQ-UHFFFAOYSA-N 0 0 176.219 2.134 10 0 AEAERN CC(C)c1n[nH]c2cc(O)ccc12 89195998 343672225 /nfs/dbraw/zinc/67/22/25/343672225.db2.gz AIPBQPXORLETEH-UHFFFAOYSA-N 0 0 176.219 2.392 10 0 AEAERN CCc1n[nH]c2c(C)cccc12 89196051 343672320 /nfs/dbraw/zinc/67/23/20/343672320.db2.gz ZSYUKCGAVFRNJI-UHFFFAOYSA-N 0 0 160.220 2.434 10 0 AEAERN CCc1n[nH]c2cccc(C)c12 89195779 343672375 /nfs/dbraw/zinc/67/23/75/343672375.db2.gz MFXYIXYXPZYWQO-UHFFFAOYSA-N 0 0 160.220 2.434 10 0 AEAERN CC(C)c1cc2n[nH]cc2cc1O 89197133 343672378 /nfs/dbraw/zinc/67/23/78/343672378.db2.gz KLUIFPQGSSSTHP-UHFFFAOYSA-N 0 0 176.219 2.392 10 0 AEAERN CCc1n[nH]c2ccc(OC)cc12 89195874 343672381 /nfs/dbraw/zinc/67/23/81/343672381.db2.gz ULSDVKQGOWGPMK-UHFFFAOYSA-N 0 0 176.219 2.134 10 0 AEAERN CCc1ccc2[nH]nc(C)c2c1 89195869 343672384 /nfs/dbraw/zinc/67/23/84/343672384.db2.gz GVLRFEWYWWZYOL-UHFFFAOYSA-N 0 0 160.220 2.434 10 0 AEAERN CCC(=O)c1n[nH]c2ccccc12 89196183 343672400 /nfs/dbraw/zinc/67/24/00/343672400.db2.gz OCHHFSFKIFAVNW-UHFFFAOYSA-N 0 0 174.203 2.156 10 0 AEAERN CC(C)c1n[nH]c2ccc(O)cc12 89195911 343672421 /nfs/dbraw/zinc/67/24/21/343672421.db2.gz GHXOLVPEMVPYDF-UHFFFAOYSA-N 0 0 176.219 2.392 10 0 AEAERN CCc1n[nH]c2cccc(OC)c12 89195796 343672438 /nfs/dbraw/zinc/67/24/38/343672438.db2.gz BDVCACSVHJCMBT-UHFFFAOYSA-N 0 0 176.219 2.134 10 0 AEAERN CN(C)c1ccccc1-c1ncc[nH]1 89202666 343672707 /nfs/dbraw/zinc/67/27/07/343672707.db2.gz IAPPEIBTSCHOJB-UHFFFAOYSA-N 0 0 187.246 2.143 10 0 AEAERN Cc1cc2nccn2cc1Cl 89202444 343672714 /nfs/dbraw/zinc/67/27/14/343672714.db2.gz FBMSEAJMWDMCHR-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN CCc1cc(F)c2nccn2c1 89202571 343672750 /nfs/dbraw/zinc/67/27/50/343672750.db2.gz KRBHBZTVLFAUFH-UHFFFAOYSA-N 0 0 164.183 2.036 10 0 AEAERN CC(C)c1ccc2c[nH]nc2c1O 89200473 343672754 /nfs/dbraw/zinc/67/27/54/343672754.db2.gz IJXKQRMIOWFOJB-UHFFFAOYSA-N 0 0 176.219 2.392 10 0 AEAERN CC(C)N(C)c1ccc2cn[nH]c2c1 89197331 343672835 /nfs/dbraw/zinc/67/28/35/343672835.db2.gz CCQPZCKEMSVLOP-UHFFFAOYSA-N 0 0 189.262 2.408 10 0 AEAERN Cc1n[nH]cc1-c1ccc2nccn2c1 89201391 343672854 /nfs/dbraw/zinc/67/28/54/343672854.db2.gz QQOMUMNEHYHWTF-UHFFFAOYSA-N 0 0 198.229 2.033 10 0 AEAERN CCc1nc2ccccn2c1C(C)=O 89201556 343672904 /nfs/dbraw/zinc/67/29/04/343672904.db2.gz MJZHZCIYMVJHNB-UHFFFAOYSA-N 0 0 188.230 2.099 10 0 AEAERN Cc1cnc2cc(Cl)ccn12 89202065 343672915 /nfs/dbraw/zinc/67/29/15/343672915.db2.gz IVWWUYHTCLDWKJ-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN Cc1ccc2nccn2c1Cl 89202330 343672933 /nfs/dbraw/zinc/67/29/33/343672933.db2.gz MFUMHGNYUHPRDG-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN Cc1ccn2c(Cl)cnc2c1 89202173 343672942 /nfs/dbraw/zinc/67/29/42/343672942.db2.gz HNUCUQZFOCHCEB-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN Cc1ccc(Cl)n2ccnc12 89202403 343672945 /nfs/dbraw/zinc/67/29/45/343672945.db2.gz YHNCBHKVPBKJJE-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN CCC(=O)c1c(C)nc2ccccn12 89201560 343672996 /nfs/dbraw/zinc/67/29/96/343672996.db2.gz WLFZAIYGDWWASI-UHFFFAOYSA-N 0 0 188.230 2.235 10 0 AEAERN Cc1c(N)ccc2c1N=NC2 89200426 343673009 /nfs/dbraw/zinc/67/30/09/343673009.db2.gz RVSPEKCUSWTSCD-UHFFFAOYSA-N 0 0 147.181 2.175 10 0 AEAERN Cc1nccc2nc(Cl)oc12 89211711 343673175 /nfs/dbraw/zinc/67/31/75/343673175.db2.gz RCMYQUIWFZJNQH-UHFFFAOYSA-N 0 0 168.583 2.185 10 0 AEAERN CC(C)c1[nH]nc2c(Cl)ncnc12 89211916 343673205 /nfs/dbraw/zinc/67/32/05/343673205.db2.gz WDAPYYNLDHXLTJ-UHFFFAOYSA-N 0 0 196.641 2.130 10 0 AEAERN Cc1ccc2cc[nH]c2c1O 89209051 343673221 /nfs/dbraw/zinc/67/32/21/343673221.db2.gz YIMRQZQDBWWIOK-UHFFFAOYSA-N 0 0 147.177 2.182 10 0 AEAERN CC[C@@H](O)Cc1cccc2cc[nH]c12 89209334 343673277 /nfs/dbraw/zinc/67/32/77/343673277.db2.gz IOSLGHOKVLPPIO-LLVKDONJSA-N 0 0 189.258 2.481 10 0 AEAERN C[C@H](O)c1cccc2cc[nH]c12 89209254 343673284 /nfs/dbraw/zinc/67/32/84/343673284.db2.gz UNTDNOYYAQIWAK-ZETCQYMHSA-N 0 0 161.204 2.221 10 0 AEAERN Cc1cc2ncoc2c(Cl)n1 89211729 343673291 /nfs/dbraw/zinc/67/32/91/343673291.db2.gz HSFPDLGFKKJWKF-UHFFFAOYSA-N 0 0 168.583 2.185 10 0 AEAERN Cc1cc2c(c(Cl)n1)CCN2 89212417 343673326 /nfs/dbraw/zinc/67/33/26/343673326.db2.gz VHSWAPFROIAAOT-UHFFFAOYSA-N 0 0 168.627 2.011 10 0 AEAERN Cc1ccc(O)c2[nH]ccc12 89204599 343673342 /nfs/dbraw/zinc/67/33/42/343673342.db2.gz RUFWJNYVGBBIDL-UHFFFAOYSA-N 0 0 147.177 2.182 10 0 AEAERN Cc1[nH]nc2ccnc(OC(C)C)c12 89220170 343673348 /nfs/dbraw/zinc/67/33/48/343673348.db2.gz NDSIOCCQMKIGGE-UHFFFAOYSA-N 0 0 191.234 2.054 10 0 AEAERN Cc1ccc2[nH]ccc2c1N 89204298 343673370 /nfs/dbraw/zinc/67/33/70/343673370.db2.gz ILJXBQZQSUQMQJ-UHFFFAOYSA-N 0 0 146.193 2.059 10 0 AEAERN CCc1[nH]nc2cc(Cl)ncc12 89220122 343673392 /nfs/dbraw/zinc/67/33/92/343673392.db2.gz RQGOUNXLZONYSC-UHFFFAOYSA-N 0 0 181.626 2.174 10 0 AEAERN CCCCOc1ncnc2cc[nH]c12 89223748 343673651 /nfs/dbraw/zinc/67/36/51/343673651.db2.gz GBYYOAWGNVKJHJ-UHFFFAOYSA-N 0 0 191.234 2.137 10 0 AEAERN Cc1cc2scnc2c(C)n1 89229107 343673749 /nfs/dbraw/zinc/67/37/49/343673749.db2.gz HCZCUSKLXAVWBL-UHFFFAOYSA-N 0 0 164.233 2.308 10 0 AEAERN CC(C)Cc1ncnc2[nH]ccc12 89223837 343673775 /nfs/dbraw/zinc/67/37/75/343673775.db2.gz NCJXXDMTGZAUIM-UHFFFAOYSA-N 0 0 175.235 2.156 10 0 AEAERN CC[C@H]1N=Nc2nc(N)nc(Cl)c21 89223089 343673811 /nfs/dbraw/zinc/67/38/11/343673811.db2.gz LUUSWSQKZWGGJS-GSVOUGTGSA-N 0 0 197.629 2.261 10 0 AEAERN CCC(C)(C)C(=O)c1cncnc1 89224050 343673827 /nfs/dbraw/zinc/67/38/27/343673827.db2.gz WPYCVRKLVPMTGZ-UHFFFAOYSA-N 0 0 178.235 2.096 10 0 AEAERN CCCCNc1ncnc2cc[nH]c12 89223728 343673905 /nfs/dbraw/zinc/67/39/05/343673905.db2.gz WTVGCQZYNOOGIK-UHFFFAOYSA-N 0 0 190.250 2.170 10 0 AEAERN CC(C)c1[nH]nc2nc(Cl)ncc12 89222276 343673972 /nfs/dbraw/zinc/67/39/72/343673972.db2.gz MGLHMTJBKOILQR-UHFFFAOYSA-N 0 0 196.641 2.130 10 0 AEAERN CC(C)c1[nH]nc2ncnc(Cl)c12 89222456 343673999 /nfs/dbraw/zinc/67/39/99/343673999.db2.gz SISQSWFOHNJVLP-UHFFFAOYSA-N 0 0 196.641 2.130 10 0 AEAERN CCc1nccc2scnc12 89229071 343674064 /nfs/dbraw/zinc/67/40/64/343674064.db2.gz HVTFNPFBXNPORF-UHFFFAOYSA-N 0 0 164.233 2.254 10 0 AEAERN Cc1c(F)ccc(O)c1Cl 90134530 343674561 /nfs/dbraw/zinc/67/45/61/343674561.db2.gz GDJSBAMEKQWDAS-UHFFFAOYSA-N 0 0 160.575 2.493 10 0 AEAERN Cc1cc(N)n([C@H]2C[C@H]3CC[C@@H]2C3)n1 90225769 343675100 /nfs/dbraw/zinc/67/51/00/343675100.db2.gz CDEHGOAUPAWEND-AEJSXWLSSA-N 0 0 191.278 2.135 10 0 AEAERN CC[C@H](O)/C=C/c1ccco1 90413828 343675458 /nfs/dbraw/zinc/67/54/58/343675458.db2.gz OUHUWQKOASKGJD-GJIOHYHPSA-N 0 0 152.193 2.064 10 0 AEAERN COC(=O)NC/C=C/c1ccccc1 90514545 343676403 /nfs/dbraw/zinc/67/64/03/343676403.db2.gz GBZJJYYGSUQNRN-VMPITWQZSA-N 0 0 191.230 2.056 10 0 AEAERN Cc1cccc(-c2cccc(C=O)n2)n1 90669386 343676413 /nfs/dbraw/zinc/67/64/13/343676413.db2.gz MYMTXKSWWOINRT-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN COC(=O)/C=C/OC1CCCCC1 90512716 343676415 /nfs/dbraw/zinc/67/64/15/343676415.db2.gz HXYZMSJZMGRLQJ-BQYQJAHWSA-N 0 0 184.235 2.022 10 0 AEAERN OC/C=C\C1CCCCC1 90759918 343676924 /nfs/dbraw/zinc/67/69/24/343676924.db2.gz VKSIYNNFGTVYJU-DAXSKMNVSA-N 0 0 140.226 2.115 10 0 AEAERN CCCCn1cnc(Cl)c1 91361833 343677380 /nfs/dbraw/zinc/67/73/80/343677380.db2.gz IKFHOUWXXJKENT-UHFFFAOYSA-N 0 0 158.632 2.337 10 0 AEAERN C[C@H](O)c1cc(F)c(F)cc1F 91363846 343677390 /nfs/dbraw/zinc/67/73/90/343677390.db2.gz RIRHPWCWRLZXAM-BYPYZUCNSA-N 0 0 176.137 2.157 10 0 AEAERN C[C@@H](O)c1cc(F)c(F)cc1F 91363848 343677425 /nfs/dbraw/zinc/67/74/25/343677425.db2.gz RIRHPWCWRLZXAM-SCSAIBSYSA-N 0 0 176.137 2.157 10 0 AEAERN CCc1cnnc(Cl)c1CC 91365449 343677472 /nfs/dbraw/zinc/67/74/72/343677472.db2.gz VNOPRHUMATXWFP-UHFFFAOYSA-N 0 0 170.643 2.255 10 0 AEAERN CCC1(CC)O[P@H](=O)O[C@@H]1C 91368900 343677978 /nfs/dbraw/zinc/67/79/78/343677978.db2.gz PHNBNESOVQAFHA-ZCFIWIBFSA-N 0 0 178.168 2.370 10 0 AEAERN CCC1(CC)O[P@H](=O)O[C@H]1C 91368898 343678066 /nfs/dbraw/zinc/67/80/66/343678066.db2.gz PHNBNESOVQAFHA-LURJTMIESA-N 0 0 178.168 2.370 10 0 AEAERN CN(c1ccccc1O)C(F)(F)F 95074354 343679220 /nfs/dbraw/zinc/67/92/20/343679220.db2.gz CJRNNIBDSISXIF-UHFFFAOYSA-N 0 0 191.152 2.348 10 0 AEAERN CN(c1cccc(O)c1)C(F)(F)F 95074361 343679276 /nfs/dbraw/zinc/67/92/76/343679276.db2.gz IEFZWVZROFCNBD-UHFFFAOYSA-N 0 0 191.152 2.348 10 0 AEAERN CCCCCC(=O)O[C@](C)(N)CC 95079506 343679512 /nfs/dbraw/zinc/67/95/12/343679512.db2.gz CGLKSMHJBIDIDO-JTQLQIEISA-N 0 0 187.283 2.195 10 0 AEAERN CC(C)Nc1cc(C2CC2)nn1C 95088379 343680150 /nfs/dbraw/zinc/68/01/50/343680150.db2.gz UJWDFJVTXVZUMX-UHFFFAOYSA-N 0 0 179.267 2.118 10 0 AEAERN CCc1cc(NC(C)C)no1 95091057 343680641 /nfs/dbraw/zinc/68/06/41/343680641.db2.gz PVMFJDZJSCRUIX-UHFFFAOYSA-N 0 0 154.213 2.057 10 0 AEAERN CCc1nc(CC)c(C)nc1C 95620526 343684407 /nfs/dbraw/zinc/68/44/07/343684407.db2.gz LQIGIQZSHAYEKN-UHFFFAOYSA-N 0 0 164.252 2.218 10 0 endogenous,in-man AEAERN C[C@H](O)c1occ2ccccc12 95630428 343684895 /nfs/dbraw/zinc/68/48/95/343684895.db2.gz QIFHWBFJEOCAGJ-ZETCQYMHSA-N 0 0 162.188 2.486 10 0 AEAERN CC(=O)c1c[nH]c2nc(C)ccc12 95698446 343685424 /nfs/dbraw/zinc/68/54/24/343685424.db2.gz VSCNCIAQMRBEBC-UHFFFAOYSA-N 0 0 174.203 2.074 10 0 AEAERN CCCc1ccc([C@H](N)C#N)cc1 95667393 343685547 /nfs/dbraw/zinc/68/55/47/343685547.db2.gz HUQFNWQSUNGPHD-LLVKDONJSA-N 0 0 174.247 2.162 10 0 AEAERN Cc1cc2c(Cl)c(O)cnc2[nH]1 95845527 343688523 /nfs/dbraw/zinc/68/85/23/343688523.db2.gz IKLSPQQGWONNEC-UHFFFAOYSA-N 0 0 182.610 2.230 10 0 AEAERN CC(=O)c1c[nH]c2ccc(Cl)nc12 95919883 343689614 /nfs/dbraw/zinc/68/96/14/343689614.db2.gz JLPYMLPFYACJFB-UHFFFAOYSA-N 0 0 194.621 2.419 10 0 AEAERN CC(=O)c1c[nH]c2ccc(C)nc12 95919881 343689667 /nfs/dbraw/zinc/68/96/67/343689667.db2.gz NKZDDXCRJPQDIU-UHFFFAOYSA-N 0 0 174.203 2.074 10 0 AEAERN CC(=O)c1c[nH]c2c(C)ccnc12 95919902 343689680 /nfs/dbraw/zinc/68/96/80/343689680.db2.gz AWUWDMBROONHMJ-UHFFFAOYSA-N 0 0 174.203 2.074 10 0 AEAERN CC(=O)c1c[nH]c2cncc(Cl)c12 95919906 343689748 /nfs/dbraw/zinc/68/97/48/343689748.db2.gz FOUHEWOUHLUBRJ-UHFFFAOYSA-N 0 0 194.621 2.419 10 0 AEAERN CC(=O)c1c[nH]c2cncc(C)c12 95919907 343689792 /nfs/dbraw/zinc/68/97/92/343689792.db2.gz VZJASSARMOYDDT-UHFFFAOYSA-N 0 0 174.203 2.074 10 0 AEAERN CC(=O)c1c[nH]c2ncc(Cl)cc12 95919869 343689796 /nfs/dbraw/zinc/68/97/96/343689796.db2.gz CKLUEVOGCHVBRI-UHFFFAOYSA-N 0 0 194.621 2.419 10 0 AEAERN CC(=O)c1c[nH]c2cc(Cl)cnc12 95919888 343689799 /nfs/dbraw/zinc/68/97/99/343689799.db2.gz NZXDSJFACKDOMQ-UHFFFAOYSA-N 0 0 194.621 2.419 10 0 AEAERN Cc1ccc2[nH]c3ccccc3n12 95923756 343690036 /nfs/dbraw/zinc/69/00/36/343690036.db2.gz VZQPJXPFXDTICD-UHFFFAOYSA-N 0 0 170.215 2.453 10 0 AEAERN Cc1nc2cccc3c2n1CC=C3 95922606 343690045 /nfs/dbraw/zinc/69/00/45/343690045.db2.gz BFYIUPOKPQXLQL-UHFFFAOYSA-N 0 0 170.215 2.372 10 0 AEAERN Cc1nc2c3cccnc3ccc2n1C 95922593 343690066 /nfs/dbraw/zinc/69/00/66/343690066.db2.gz OLPJTZOHYSUKRY-UHFFFAOYSA-N 0 0 197.241 2.430 10 0 AEAERN Cc1cc(N)cc2ccoc12 95922436 343690109 /nfs/dbraw/zinc/69/01/09/343690109.db2.gz QDEMNRTYZBBVAI-UHFFFAOYSA-N 0 0 147.177 2.323 10 0 AEAERN Cc1ccc2c(c1)[nH]c1cc(C)nn12 95922506 343690114 /nfs/dbraw/zinc/69/01/14/343690114.db2.gz KNHQBTTXNKVNLJ-UHFFFAOYSA-N 0 0 185.230 2.432 10 0 AEAERN O=Cc1nccc2c(Cl)c[nH]c12 95920073 343690126 /nfs/dbraw/zinc/69/01/26/343690126.db2.gz UOKZCKKIMBFHCJ-UHFFFAOYSA-N 0 0 180.594 2.029 10 0 AEAERN Cc1cn2c(n1)[nH]c1ccccc12 95922583 343690129 /nfs/dbraw/zinc/69/01/29/343690129.db2.gz PTXVCEQCTFGQOR-UHFFFAOYSA-N 0 0 171.203 2.124 10 0 AEAERN Cc1nc2cc(F)c(F)cc2n1C 95922594 343690181 /nfs/dbraw/zinc/69/01/81/343690181.db2.gz AKSDOHGCNUIHAN-UHFFFAOYSA-N 0 0 182.173 2.160 10 0 AEAERN Cc1ccc2c3c1ncn3CCC2 95922547 343690201 /nfs/dbraw/zinc/69/02/01/343690201.db2.gz NWXKEBQYDXATHM-UHFFFAOYSA-N 0 0 172.231 2.291 10 0 AEAERN c1ccc2c(c1)N1CCCCN2CC1 95922999 343690222 /nfs/dbraw/zinc/69/02/22/343690222.db2.gz VNPXIMAKERROAW-UHFFFAOYSA-N 0 0 188.274 2.107 10 0 AEAERN Cc1c[nH]c(-c2nc3ccccc3[nH]2)n1 95922586 343690226 /nfs/dbraw/zinc/69/02/26/343690226.db2.gz PORSQGVRANGKJQ-UHFFFAOYSA-N 0 0 198.229 2.261 10 0 AEAERN Cc1nn2c([nH]c3ccccc32)c1C 95922415 343690230 /nfs/dbraw/zinc/69/02/30/343690230.db2.gz SCCJRSYMFVYSNA-UHFFFAOYSA-N 0 0 185.230 2.432 10 0 AEAERN Cc1cc2c(C)c(F)cnc2[nH]1 95920060 343690232 /nfs/dbraw/zinc/69/02/32/343690232.db2.gz KYQXYUDSZXXGLN-UHFFFAOYSA-N 0 0 164.183 2.319 10 0 in-vitro AEAERN CCc1ccc2nc3n(c2c1)CCN3 95921980 343690234 /nfs/dbraw/zinc/69/02/34/343690234.db2.gz UFBFPROTMWMPEG-UHFFFAOYSA-N 0 0 187.246 2.024 10 0 AEAERN CC(C)c1nc2c(O)cc(O)cc2[nH]1 95921943 343690262 /nfs/dbraw/zinc/69/02/62/343690262.db2.gz UCVJHROVJNZWQY-UHFFFAOYSA-N 0 0 192.218 2.098 10 0 AEAERN Cc1ccncc1-c1cnccc1C=O 95921453 343690305 /nfs/dbraw/zinc/69/03/05/343690305.db2.gz RCAFDTQZHDBURX-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN C[C@H]1CN2CCCc3cccc(c32)N1 95923972 343690545 /nfs/dbraw/zinc/69/05/45/343690545.db2.gz RSGAMAQQQKLOGD-VIFPVBQESA-N 0 0 188.274 2.253 10 0 AEAERN C[C@H]1[C@@H](C)Nc2cccc3ncn1c23 95924540 343690868 /nfs/dbraw/zinc/69/08/68/343690868.db2.gz GUABDQAYYTUTIN-SFYZADRCSA-N 0 0 187.246 2.411 10 0 AEAERN Cc1cc(Cl)cc([C@@H](C)O)n1 95934582 343691114 /nfs/dbraw/zinc/69/11/14/343691114.db2.gz JCBLYFVNMZMIIC-ZCFIWIBFSA-N 0 0 171.627 2.097 10 0 AEAERN CCc1c[nH]ccc1=S 95932857 343691116 /nfs/dbraw/zinc/69/11/16/343691116.db2.gz VXFCSLSMTKQQSJ-UHFFFAOYSA-N 0 0 139.223 2.307 10 0 AEAERN CC(C)[C@H]1CO[C@@H]2OCCC[C@@H]21 95932776 343691133 /nfs/dbraw/zinc/69/11/33/343691133.db2.gz QTEVNNYLBPYFOL-BBBLOLIVSA-N 0 0 170.252 2.042 10 0 AEAERN Cc1cccc(S[C@H](C)O)c1 95932460 343691206 /nfs/dbraw/zinc/69/12/06/343691206.db2.gz DDYUCAIMOQYFIF-MRVPVSSYSA-N 0 0 168.261 2.425 10 0 AEAERN Cc1cc(Cl)cc([C@H](C)O)n1 95934583 343691242 /nfs/dbraw/zinc/69/12/42/343691242.db2.gz JCBLYFVNMZMIIC-LURJTMIESA-N 0 0 171.627 2.097 10 0 AEAERN Cc1cccc(S[C@@H](C)O)c1 95932459 343691287 /nfs/dbraw/zinc/69/12/87/343691287.db2.gz DDYUCAIMOQYFIF-QMMMGPOBSA-N 0 0 168.261 2.425 10 0 AEAERN CC(C)[C@H]1CO[C@H]2OCCC[C@H]21 95932777 343691290 /nfs/dbraw/zinc/69/12/90/343691290.db2.gz QTEVNNYLBPYFOL-IVZWLZJFSA-N 0 0 170.252 2.042 10 0 AEAERN Cc1cc(Cl)nc2[nH]cc(CO)c12 95937257 343691528 /nfs/dbraw/zinc/69/15/28/343691528.db2.gz ZTVWPWUSAGEEIR-UHFFFAOYSA-N 0 0 196.637 2.017 10 0 AEAERN Cc1[nH]c2ncc(Cl)cc2c1N 95936836 343691535 /nfs/dbraw/zinc/69/15/35/343691535.db2.gz DGHBWIDJCLKXEL-UHFFFAOYSA-N 0 0 181.626 2.107 10 0 AEAERN C[C@H](O)Sc1cccc(F)c1 95935347 343691540 /nfs/dbraw/zinc/69/15/40/343691540.db2.gz UKFUQOVIAJXIFK-ZCFIWIBFSA-N 0 0 172.224 2.256 10 0 AEAERN Cc1ccnc(-c2ccc(C=O)cc2)n1 95935460 343691548 /nfs/dbraw/zinc/69/15/48/343691548.db2.gz KHAHWKLZGBIAKT-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN CCc1c[nH]c2ncc(F)cc12 95936912 343691550 /nfs/dbraw/zinc/69/15/50/343691550.db2.gz MINUOFAIRQYIEX-UHFFFAOYSA-N 0 0 164.183 2.264 10 0 AEAERN CC(C)[C@]12CC[C@@H](C)[C@H]1C2=O 95935995 343691590 /nfs/dbraw/zinc/69/15/90/343691590.db2.gz RDCZUQXEQPVRFZ-KHQFGBGNSA-N 0 0 152.237 2.258 10 0 AEAERN Cc1nc(Cl)c2cccc(O)c2n1 95935581 343691660 /nfs/dbraw/zinc/69/16/60/343691660.db2.gz MUCBPNVNKQACBF-UHFFFAOYSA-N 0 0 194.621 2.297 10 0 AEAERN Cc1ccc(Cc2c[nH]cn2)cc1 95935457 343691707 /nfs/dbraw/zinc/69/17/07/343691707.db2.gz GWDMTONTYFCTAJ-UHFFFAOYSA-N 0 0 172.231 2.309 10 0 AEAERN CCc1[nH]c2ncc(Cl)cc2c1N 95936835 343691846 /nfs/dbraw/zinc/69/18/46/343691846.db2.gz MMBHXXSPEKQFNH-UHFFFAOYSA-N 0 0 195.653 2.361 10 0 AEAERN CCc1cccc(/C=C\C(=O)OC)c1 95936187 343691849 /nfs/dbraw/zinc/69/18/49/343691849.db2.gz XGBGXXICVPOUDG-FPLPWBNLSA-N 0 0 190.242 2.435 10 0 AEAERN CC1(C)CCNc2cc(N)ccc21 96034808 343694518 /nfs/dbraw/zinc/69/45/18/343694518.db2.gz PCJKTHLMHFSQPP-UHFFFAOYSA-N 0 0 176.263 2.362 10 0 AEAERN Cc1cc(-c2ncon2)ccc1F 96102563 343694758 /nfs/dbraw/zinc/69/47/58/343694758.db2.gz BPGWRIVBMRGSDF-UHFFFAOYSA-N 0 0 178.166 2.184 10 0 AEAERN Cc1cc(F)cc(-c2ncon2)c1 96102593 343694789 /nfs/dbraw/zinc/69/47/89/343694789.db2.gz WRRVWHIGBJVRFS-UHFFFAOYSA-N 0 0 178.166 2.184 10 0 AEAERN CCc1nc(Cl)c2ncccc2n1 96311278 343695378 /nfs/dbraw/zinc/69/53/78/343695378.db2.gz RZWGXXGESBPFOJ-UHFFFAOYSA-N 0 0 193.637 2.241 10 0 AEAERN Cc1ccc(F)cc1-c1ncon1 96102542 343694921 /nfs/dbraw/zinc/69/49/21/343694921.db2.gz SECHDUFJXAQLIM-UHFFFAOYSA-N 0 0 178.166 2.184 10 0 AEAERN Cc1cc(F)ccc1-c1ncon1 96102567 343695025 /nfs/dbraw/zinc/69/50/25/343695025.db2.gz YSJYILHWOUFVIF-UHFFFAOYSA-N 0 0 178.166 2.184 10 0 AEAERN Cc1ccc(-c2ncon2)c(F)c1 96102544 343695142 /nfs/dbraw/zinc/69/51/42/343695142.db2.gz PDPRKBVWUHZBQX-UHFFFAOYSA-N 0 0 178.166 2.184 10 0 AEAERN CC(=O)c1c[nH]c2cnc(C)cc12 96306771 343695278 /nfs/dbraw/zinc/69/52/78/343695278.db2.gz ZGOWRZQLIAWORU-UHFFFAOYSA-N 0 0 174.203 2.074 10 0 AEAERN CC(C)Nc1nc(Cl)ccc1N 96311451 343695341 /nfs/dbraw/zinc/69/53/41/343695341.db2.gz YYJKPYXMJHPWHM-UHFFFAOYSA-N 0 0 185.658 2.138 10 0 AEAERN CCc1ccc(/C=C\CO)cc1 96295696 343695494 /nfs/dbraw/zinc/69/54/94/343695494.db2.gz YHTRWYSKMHZKOT-ARJAWSKDSA-N 0 0 162.232 2.255 10 0 AEAERN CC(F)(F)[S@@](=O)c1ccccc1 96308284 343695505 /nfs/dbraw/zinc/69/55/05/343695505.db2.gz KBBAQUHHUWKIRR-GFCCVEGCSA-N 0 0 190.214 2.407 10 0 AEAERN CC(C)c1ncc(C(C)C)c(=O)[nH]1 96311257 343695541 /nfs/dbraw/zinc/69/55/41/343695541.db2.gz DCOAPOVLSBZFHE-UHFFFAOYSA-N 0 0 180.251 2.017 10 0 AEAERN CCc1nc(Cl)c2cccnc2n1 96311275 343695551 /nfs/dbraw/zinc/69/55/51/343695551.db2.gz LDLMBJSGEQCJJE-UHFFFAOYSA-N 0 0 193.637 2.241 10 0 AEAERN Cc1ccsc1-c1cccc(=O)[nH]1 96311808 343695580 /nfs/dbraw/zinc/69/55/80/343695580.db2.gz PARWCCQHLIRYKB-UHFFFAOYSA-N 0 0 191.255 2.412 10 0 AEAERN CC(C)c1nc2cnc(Cl)nc2[nH]1 96311562 343695650 /nfs/dbraw/zinc/69/56/50/343695650.db2.gz DFAHRZMBLDMUKH-UHFFFAOYSA-N 0 0 196.641 2.130 10 0 AEAERN Cc1ccc2[nH]cc(F)c2n1 96320852 343695796 /nfs/dbraw/zinc/69/57/96/343695796.db2.gz LFCXWQDYEVCVCT-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN Cc1ccc2c(F)c[nH]c2n1 96320839 343695874 /nfs/dbraw/zinc/69/58/74/343695874.db2.gz BDBJKWIPQQMWAC-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN Fc1c[nH]c2c(Cl)ccnc12 96320860 343695898 /nfs/dbraw/zinc/69/58/98/343695898.db2.gz PGDAGSJXDKPTIT-UHFFFAOYSA-N 0 0 170.574 2.355 10 0 AEAERN Fc1c[nH]c2cc(Cl)cnc12 96320847 343695969 /nfs/dbraw/zinc/69/59/69/343695969.db2.gz PQQJTVPNSWGXNX-UHFFFAOYSA-N 0 0 170.574 2.355 10 0 AEAERN Fc1c[nH]c2c(Cl)cncc12 96320877 343695971 /nfs/dbraw/zinc/69/59/71/343695971.db2.gz LQMOQJAQABXMSB-UHFFFAOYSA-N 0 0 170.574 2.355 10 0 AEAERN Cc1ccnc2[nH]cc(F)c12 96320832 343695976 /nfs/dbraw/zinc/69/59/76/343695976.db2.gz KWTRXYVNESKVRX-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN Cc1ccnc2c(F)c[nH]c12 96320859 343695989 /nfs/dbraw/zinc/69/59/89/343695989.db2.gz BILPABUJTUZLQJ-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN Cc1ccsc1-c1ccc(=O)[nH]c1 96312034 343696004 /nfs/dbraw/zinc/69/60/04/343696004.db2.gz VHUBZVQIQJSCCV-UHFFFAOYSA-N 0 0 191.255 2.412 10 0 AEAERN Cc1cnc2c(F)c[nH]c2c1 96320846 343696019 /nfs/dbraw/zinc/69/60/19/343696019.db2.gz QAZLPOFYARICRT-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN Cc1cnc2[nH]cc(F)c2c1 96320825 343696024 /nfs/dbraw/zinc/69/60/24/343696024.db2.gz VYGYHUSFUUIOPR-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN Cc1c[nH]cc2c(F)cnc1-2 96320876 343696031 /nfs/dbraw/zinc/69/60/31/343696031.db2.gz QEWMDCLWEHBHLJ-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN Fc1c[nH]c2ccc(Cl)nc12 96320854 343696043 /nfs/dbraw/zinc/69/60/43/343696043.db2.gz RYGWLBOXCOAEIS-UHFFFAOYSA-N 0 0 170.574 2.355 10 0 AEAERN Fc1c[nH]c2c(Cl)nccc12 96320885 343696058 /nfs/dbraw/zinc/69/60/58/343696058.db2.gz FNJQVWJOPZUHPH-UHFFFAOYSA-N 0 0 170.574 2.355 10 0 AEAERN Cc1cc2c(F)c[nH]c2cn1 96320890 343696326 /nfs/dbraw/zinc/69/63/26/343696326.db2.gz BJZCTXGTROBQIU-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN Cc1cc2c(Cl)cc(N)nc2[nH]1 96321081 343696391 /nfs/dbraw/zinc/69/63/91/343696391.db2.gz YWAHDDFSRBNIOD-UHFFFAOYSA-N 0 0 181.626 2.107 10 0 AEAERN Cc1cc2c(Cl)c(N)cnc2[nH]1 96321056 343696458 /nfs/dbraw/zinc/69/64/58/343696458.db2.gz WBCGQLKUHGBJSR-UHFFFAOYSA-N 0 0 181.626 2.107 10 0 AEAERN Fc1c[nH]c2cnc(Cl)cc12 96320891 343696466 /nfs/dbraw/zinc/69/64/66/343696466.db2.gz BCLPYTXGJKOCHX-UHFFFAOYSA-N 0 0 170.574 2.355 10 0 AEAERN Cc1nccc2c(F)c[nH]c12 96320889 343696468 /nfs/dbraw/zinc/69/64/68/343696468.db2.gz SHTMTYYKJVSDOA-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN Cc1cncc2[nH]cc(F)c12 96320898 343696470 /nfs/dbraw/zinc/69/64/70/343696470.db2.gz FJDQOHNZEPIMDJ-UHFFFAOYSA-N 0 0 150.156 2.010 10 0 AEAERN Fc1c[nH]c2cncc(Cl)c12 96320904 343696486 /nfs/dbraw/zinc/69/64/86/343696486.db2.gz YCBHPDABHZSOAO-UHFFFAOYSA-N 0 0 170.574 2.355 10 0 AEAERN CSc1cccc(N(C)C)c1 96330862 343696628 /nfs/dbraw/zinc/69/66/28/343696628.db2.gz OTIDSYZPXOTMOC-UHFFFAOYSA-N 0 0 167.277 2.475 10 0 AEAERN C1CC2C1C1CCC21 96331944 343696706 /nfs/dbraw/zinc/69/67/06/343696706.db2.gz YTZCZYFFHKYOBJ-UHFFFAOYSA-N 0 0 108.184 2.052 10 0 AEAERN C=C/C=C(\C)C=C 96328504 343696902 /nfs/dbraw/zinc/69/69/02/343696902.db2.gz NEVFABBVOIJXHE-VOTSOKGWSA-N 0 0 94.157 2.305 10 0 AEAERN CCOc1ccnc2c(N)cccc12 96791832 343700766 /nfs/dbraw/zinc/70/07/66/343700766.db2.gz RMDBJXRLPHGXQG-UHFFFAOYSA-N 0 0 188.230 2.216 10 0 AEAERN CN1c2ccccc2N=Cc2cccn21 96908754 343701171 /nfs/dbraw/zinc/70/11/71/343701171.db2.gz ZIWGZWWTTHKXKH-UHFFFAOYSA-N 0 0 197.241 2.452 10 0 AEAERN CC[C@H](NN)[C@H]1CCC[C@H](C)C1 97501243 343702029 /nfs/dbraw/zinc/70/20/29/343702029.db2.gz JHDWYTGTCWNPCZ-GUBZILKMSA-N 0 0 170.300 2.055 10 0 AEAERN Cc1cccc([C@H](NN)C2CC2)c1F 97747978 343703160 /nfs/dbraw/zinc/70/31/60/343703160.db2.gz OAIXWYQWKVJXGO-LLVKDONJSA-N 0 0 194.253 2.049 10 0 AEAERN Cc1cc([C@@H](NN)C2CC2)sc1C 97747832 343703171 /nfs/dbraw/zinc/70/31/71/343703171.db2.gz ZIHMACKTQOYRGE-JTQLQIEISA-N 0 0 196.319 2.279 10 0 AEAERN Cc1cc([C@H](NN)C2CC2)sc1C 97747831 343703211 /nfs/dbraw/zinc/70/32/11/343703211.db2.gz ZIHMACKTQOYRGE-SNVBAGLBSA-N 0 0 196.319 2.279 10 0 AEAERN C[C@H]1CCNc2cccnc2S1 97827206 343703463 /nfs/dbraw/zinc/70/34/63/343703463.db2.gz QBCMAHVSWVSIPP-ZETCQYMHSA-N 0 0 180.276 2.378 10 0 AEAERN C[C@@H]1CCNc2cccnc2S1 97827205 343703654 /nfs/dbraw/zinc/70/36/54/343703654.db2.gz QBCMAHVSWVSIPP-SSDOTTSWSA-N 0 0 180.276 2.378 10 0 AEAERN Cc1nc2c(c(Cl)c1C)O2 97757529 343703637 /nfs/dbraw/zinc/70/36/37/343703637.db2.gz GZLNEWVYUHPPHY-UHFFFAOYSA-N 0 0 155.584 2.458 10 0 AEAERN C[C@@H]1CNc2cccnc2SC1 97827203 343703730 /nfs/dbraw/zinc/70/37/30/343703730.db2.gz PPYVNGVHJUUBKE-SSDOTTSWSA-N 0 0 180.276 2.235 10 0 AEAERN C[C@H]1CNc2cccnc2SC1 97827204 343703738 /nfs/dbraw/zinc/70/37/38/343703738.db2.gz PPYVNGVHJUUBKE-ZETCQYMHSA-N 0 0 180.276 2.235 10 0 AEAERN Cc1ccc(F)c2c1CSC[C@@H]2O 97857832 343703792 /nfs/dbraw/zinc/70/37/92/343703792.db2.gz NHUDXGDWGPUSPI-VIFPVBQESA-N 0 0 198.262 2.414 10 0 AEAERN Cc1ccc(NCC(F)F)nc1 98000810 343704302 /nfs/dbraw/zinc/70/43/02/343704302.db2.gz YLWGGQFJKYHGNM-UHFFFAOYSA-N 0 0 172.178 2.067 10 0 AEAERN CON[C@H](C)c1cccc(C)c1 97989260 343704341 /nfs/dbraw/zinc/70/43/41/343704341.db2.gz VDLRQPVRYKPXCS-SECBINFHSA-N 0 0 165.236 2.207 10 0 AEAERN CON[C@@H](C)c1cccc(C)c1 97989261 343704387 /nfs/dbraw/zinc/70/43/87/343704387.db2.gz VDLRQPVRYKPXCS-VIFPVBQESA-N 0 0 165.236 2.207 10 0 AEAERN FC(F)CNc1ccc(Cl)cn1 98000873 343704939 /nfs/dbraw/zinc/70/49/39/343704939.db2.gz HHRRRRSTQRGNPG-UHFFFAOYSA-N 0 0 192.596 2.412 10 0 AEAERN Cc1ncsc1-c1ccc(N)cn1 98101296 343705353 /nfs/dbraw/zinc/70/53/53/343705353.db2.gz DQIPOGPZNSMOCY-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN COc1cccc(CCCCCO)c1 98123813 343705417 /nfs/dbraw/zinc/70/54/17/343705417.db2.gz NXHNZRRAHGHJJE-UHFFFAOYSA-N 0 0 194.274 2.400 10 0 AEAERN Cc1ncsc1-c1ncccc1N 98101299 343705457 /nfs/dbraw/zinc/70/54/57/343705457.db2.gz HHYLUKJLTMDIAG-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1ncsc1-c1cccnc1N 98101302 343705478 /nfs/dbraw/zinc/70/54/78/343705478.db2.gz SBRJZKBHJYOARN-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1ncc(-c2cccnc2N)s1 98101305 343705603 /nfs/dbraw/zinc/70/56/03/343705603.db2.gz LMKSZVTYJKLXKN-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1ncc(-c2ncccc2N)s1 98101300 343705713 /nfs/dbraw/zinc/70/57/13/343705713.db2.gz WJNZIMQESNFTHL-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN c1ccc(-c2nncn2C2CC2)cc1 98177013 343705989 /nfs/dbraw/zinc/70/59/89/343705989.db2.gz GMGOVKFNYDCQFP-UHFFFAOYSA-N 0 0 185.230 2.280 10 0 AEAERN c1cn2c3c(sc2n1)CCCC3 98177161 343706013 /nfs/dbraw/zinc/70/60/13/343706013.db2.gz HFZWUGALEANCIW-UHFFFAOYSA-N 0 0 178.260 2.275 10 0 AEAERN C1=NO[C@@H](c2ccccc2)C1 98177230 343706161 /nfs/dbraw/zinc/70/61/61/343706161.db2.gz UYOWAKYOTZHBRD-SECBINFHSA-N 0 0 147.177 2.134 10 0 AEAERN CCC(=O)C1(CC)CC1 98183362 343706410 /nfs/dbraw/zinc/70/64/10/343706410.db2.gz DVLXDRGJKPLRNF-UHFFFAOYSA-N 0 0 126.199 2.156 10 0 AEAERN CCC1(NC(=O)C(C)(C)C)CC1 98183365 343706448 /nfs/dbraw/zinc/70/64/48/343706448.db2.gz BLRLCIOHZDQJSI-UHFFFAOYSA-N 0 0 169.268 2.091 10 0 AEAERN O=C1CCC[C@H]1Oc1ccccc1 98188822 343706937 /nfs/dbraw/zinc/70/69/37/343706937.db2.gz BLJQDYYIDRRVOZ-LLVKDONJSA-N 0 0 176.215 2.187 10 0 AEAERN O=C1CCC[C@@H]1Oc1ccccc1 98188823 343706952 /nfs/dbraw/zinc/70/69/52/343706952.db2.gz BLJQDYYIDRRVOZ-NSHDSACASA-N 0 0 176.215 2.187 10 0 AEAERN CCCC1C(=O)CC(C)(C)CC1=O 100054722 343709955 /nfs/dbraw/zinc/70/99/55/343709955.db2.gz KLQDATMPJJSEHG-UHFFFAOYSA-N 0 0 182.263 2.361 10 0 AEAERN Cc1[nH]ccc2c1[nH]c1cc(=O)ccc12 100076738 343710606 /nfs/dbraw/zinc/71/06/06/343710606.db2.gz LBBJNGFCXDOYMQ-UHFFFAOYSA-N 0 0 198.225 2.318 10 0 biogenic,in-vitro AEAERN C/C=C\NC(=O)OCc1ccccc1 100199131 343712707 /nfs/dbraw/zinc/71/27/07/343712707.db2.gz QVMNEPDAKLAFOH-WAPJZHGLSA-N 0 0 191.230 2.446 10 0 AEAERN C/C=C\NC(=O)OC(C)(C)C 100246913 343713772 /nfs/dbraw/zinc/71/37/72/343713772.db2.gz FIZCCQCDGGYKLM-WAYWQWQTSA-N 0 0 157.213 2.045 10 0 AEAERN C[C@H]1NC=Cc2ccsc21 100290450 343714777 /nfs/dbraw/zinc/71/47/77/343714777.db2.gz LQKJXDMRVCRIHY-ZCFIWIBFSA-N 0 0 151.234 2.383 10 0 AEAERN CC1=C2CCCC(=S)N2CC1 100292393 343714781 /nfs/dbraw/zinc/71/47/81/343714781.db2.gz HUNKPVXHCRIQHM-UHFFFAOYSA-N 0 0 167.277 2.477 10 0 AEAERN CN(C)/C=C\c1nc2ccccc2o1 100369209 343715946 /nfs/dbraw/zinc/71/59/46/343715946.db2.gz OUHITQYQFYIYFH-FPLPWBNLSA-N 0 0 188.230 2.360 10 0 AEAERN Cc1cc(N)n(-c2ccccc2)n1 100371893 343716169 /nfs/dbraw/zinc/71/61/69/343716169.db2.gz VOQQGERWJRIHIK-UHFFFAOYSA-N 0 0 173.219 2.250 10 0 AEAERN CN(C)CC(=O)c1ccccc1 100375209 343716205 /nfs/dbraw/zinc/71/62/05/343716205.db2.gz VKYGTHREOZSKSK-NTMALXAHSA-N 0 0 163.220 2.105 10 0 in-vitro AEAERN CCCCO[P@H](=O)CC 116947704 343771366 /nfs/dbraw/zinc/77/13/66/343771366.db2.gz BEPGZKVAXTUGJU-UHFFFAOYSA-N 0 0 150.158 2.298 10 0 AEAERN CC1=CC(C)(C)CC(=O)C1 100488727 343717545 /nfs/dbraw/zinc/71/75/45/343717545.db2.gz LKOKKQDYMZUSCG-UHFFFAOYSA-N 0 0 138.210 2.322 10 0 endogenous,in-man AEAERN Cc1cc(O)c2c(O)cccc2c1O 100588370 343719009 /nfs/dbraw/zinc/71/90/09/343719009.db2.gz HLGWOMQEFHMMBP-UHFFFAOYSA-N 0 0 190.198 2.265 10 0 AEAERN CCOC(=N)C(C)(C)C 100636517 343719247 /nfs/dbraw/zinc/71/92/47/343719247.db2.gz NOIYXBJLQAJGHF-UHFFFAOYSA-N 0 0 129.203 2.046 10 0 AEAERN C/C=C/COC(=O)Cc1ccccc1 100684161 343719697 /nfs/dbraw/zinc/71/96/97/343719697.db2.gz MIQNLUMPTQMRJL-NSCUHMNNSA-N 0 0 190.242 2.348 10 0 AEAERN CC[C@]1(C)N=N[C@](C)(CC)[C@H]1O 100664415 343719783 /nfs/dbraw/zinc/71/97/83/343719783.db2.gz HAMHJPQBXIKCTK-PSVAKVPMSA-N 0 0 170.256 2.151 10 0 AEAERN Cn1c2ccccc2c2cc[nH]c(=O)c21 100717467 343720074 /nfs/dbraw/zinc/72/00/74/343720074.db2.gz OLVHTPCBDNZNRL-UHFFFAOYSA-N 0 0 198.225 2.432 10 0 AEAERN C[C@H]1[C@@H]2CCC=C[C@H]12 100956197 343721275 /nfs/dbraw/zinc/72/12/75/343721275.db2.gz RLYKMUBUQHAFJC-PRJMDXOYSA-N 0 0 108.184 2.219 10 0 AEAERN COc1cccc(C[C@H](C)OC)c1 101238874 343723172 /nfs/dbraw/zinc/72/31/72/343723172.db2.gz VLHDSRCTVNQWTG-VIFPVBQESA-N 0 0 180.247 2.273 10 0 AEAERN COc1cccc(C[C@@H](C)OC)c1 101238876 343723192 /nfs/dbraw/zinc/72/31/92/343723192.db2.gz VLHDSRCTVNQWTG-SECBINFHSA-N 0 0 180.247 2.273 10 0 AEAERN C/C=C\NC(=O)c1ccccc1C 101217373 343723261 /nfs/dbraw/zinc/72/32/61/343723261.db2.gz CNPRHPQOVVZEJV-BAQGIRSFSA-N 0 0 175.231 2.258 10 0 AEAERN FC(F)C(F)(Cl)Cl 104373552 343730938 /nfs/dbraw/zinc/73/09/38/343730938.db2.gz AFTSHZRGGNMLHC-UHFFFAOYSA-N 0 0 152.930 2.352 10 0 AEAERN CC1=C[C@H](C)CC1 104370502 343730969 /nfs/dbraw/zinc/73/09/69/343730969.db2.gz QIIAONVJAUZQQR-ZCFIWIBFSA-N 0 0 96.173 2.363 10 0 AEAERN CC1=C[C@@H](C)CC1 104370505 343731147 /nfs/dbraw/zinc/73/11/47/343731147.db2.gz QIIAONVJAUZQQR-LURJTMIESA-N 0 0 96.173 2.363 10 0 AEAERN COc1ccc2c(ccn2C)c1F 104467160 343731881 /nfs/dbraw/zinc/73/18/81/343731881.db2.gz HGMVGAMWXOMPBE-UHFFFAOYSA-N 0 0 179.194 2.326 10 0 AEAERN Cc1nc2cc(Cl)ccn2c1C=O 104529584 343732417 /nfs/dbraw/zinc/73/24/17/343732417.db2.gz XCZGEKFIISLMCV-UHFFFAOYSA-N 0 0 194.621 2.109 10 0 AEAERN C=Cc1cccc(C)c1N 104589185 343733593 /nfs/dbraw/zinc/73/35/93/343733593.db2.gz VPSIEHSRDPNNDV-UHFFFAOYSA-N 0 0 133.194 2.220 10 0 AEAERN C1CC12CCC21CC1 104923958 343735755 /nfs/dbraw/zinc/73/57/55/343735755.db2.gz KHCZAHBPHDGNJP-UHFFFAOYSA-N 0 0 108.184 2.341 10 0 AEAERN C/C=C(\C)C1CC1 105027094 343736244 /nfs/dbraw/zinc/73/62/44/343736244.db2.gz RCURIBPJGNVYPF-ZZXKWVIFSA-N 0 0 96.173 2.363 10 0 AEAERN CC(C)[C@]12C[C@@H](O)[C@H](C)[C@H]1C2 105444016 343736576 /nfs/dbraw/zinc/73/65/76/343736576.db2.gz DZVXRFMREAADPP-KYXWUPHJSA-N 0 0 154.253 2.049 10 0 AEAERN Cc1ccc2c(c1C)O[C@H](C)C2=O 105738239 343736831 /nfs/dbraw/zinc/73/68/31/343736831.db2.gz NCBKNHHGCRGCEX-MRVPVSSYSA-N 0 0 176.215 2.267 10 0 AEAERN CCOc1ccc2c(c1)C(=O)[C@H](C)O2 105738264 343736978 /nfs/dbraw/zinc/73/69/78/343736978.db2.gz IVPYVSICHBUPEY-ZETCQYMHSA-N 0 0 192.214 2.049 10 0 AEAERN Cc1cc2c(cc1C)C(=O)[C@@H](C)O2 105738227 343737016 /nfs/dbraw/zinc/73/70/16/343737016.db2.gz VDVWJDANBLMMOQ-MRVPVSSYSA-N 0 0 176.215 2.267 10 0 AEAERN Cc1ccc2nc3c(n2c1)CCC3 105737311 343737199 /nfs/dbraw/zinc/73/71/99/343737199.db2.gz KRMDTZWHRITUQB-UHFFFAOYSA-N 0 0 172.231 2.131 10 0 AEAERN Cc1cccc2nc3c(n12)CCC3 105737223 343737219 /nfs/dbraw/zinc/73/72/19/343737219.db2.gz YGCOSRBTILHUHO-UHFFFAOYSA-N 0 0 172.231 2.131 10 0 AEAERN CCc1cccc2c1O[C@H](C)C2=O 105738355 343737296 /nfs/dbraw/zinc/73/72/96/343737296.db2.gz DYSBVTNKINPTNA-SSDOTTSWSA-N 0 0 176.215 2.213 10 0 AEAERN C=C/C=C(/CCC)C(=O)OCC 106703595 343738622 /nfs/dbraw/zinc/73/86/22/343738622.db2.gz MJXKYSPVKPCALE-CLFYSBASSA-N 0 0 168.236 2.462 10 0 AEAERN CCCc1cc(F)ccc1N 107117551 343740590 /nfs/dbraw/zinc/74/05/90/343740590.db2.gz OJLKZKZQYRFWDU-UHFFFAOYSA-N 0 0 153.200 2.360 10 0 AEAERN CCCc1cc(OC)ccc1N 107120608 343741370 /nfs/dbraw/zinc/74/13/70/343741370.db2.gz ALOHKZAOEBOCQC-UHFFFAOYSA-N 0 0 165.236 2.230 10 0 AEAERN Fc1cccc2c1NCCS2 107121997 343741469 /nfs/dbraw/zinc/74/14/69/343741469.db2.gz MNSCAVOJEHBAOX-UHFFFAOYSA-N 0 0 169.224 2.343 10 0 AEAERN Fc1ccc2c(c1)SCCN2 107122001 343741470 /nfs/dbraw/zinc/74/14/70/343741470.db2.gz ADNQOSDTWZMIMA-UHFFFAOYSA-N 0 0 169.224 2.343 10 0 AEAERN CCc1cc(C)c(O)c(C=O)c1 107120320 343741482 /nfs/dbraw/zinc/74/14/82/343741482.db2.gz HMPHSCSMVGEQQW-UHFFFAOYSA-N 0 0 164.204 2.076 10 0 AEAERN Fc1cccc2c1SCCN2 107121992 343741576 /nfs/dbraw/zinc/74/15/76/343741576.db2.gz AYJZJJUIKADLMO-UHFFFAOYSA-N 0 0 169.224 2.343 10 0 AEAERN C[C@@H]1CCNc2cccc(F)c2N1 107127480 343742360 /nfs/dbraw/zinc/74/23/60/343742360.db2.gz AYFXDLRDPSEYGF-SSDOTTSWSA-N 0 0 180.226 2.442 10 0 AEAERN 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/nfs/dbraw/zinc/76/94/97/343769497.db2.gz PFTQMAALDZBTDS-UHFFFAOYSA-N 0 0 192.258 2.355 10 0 AEAERN COc1ccc(C2=CCC2)nc1 116399018 343769538 /nfs/dbraw/zinc/76/95/38/343769538.db2.gz GQBJRVALEDIBOJ-UHFFFAOYSA-N 0 0 161.204 2.267 10 0 AEAERN CC1(c2ccc(O)cn2)CCC1 116400469 343769641 /nfs/dbraw/zinc/76/96/41/343769641.db2.gz QRQHXBXWVPHUFE-UHFFFAOYSA-N 0 0 163.220 2.229 10 0 AEAERN CC(=O)Nc1cccc2c1CCC2 116668923 343769971 /nfs/dbraw/zinc/76/99/71/343769971.db2.gz LVVKZNOWQZDHEA-UHFFFAOYSA-N 0 0 175.231 2.134 10 0 AEAERN CC[C@H]1CC(=O)c2c(N)cccc21 116667903 343769989 /nfs/dbraw/zinc/76/99/89/343769989.db2.gz HZDJHSSCIRXHHY-ZETCQYMHSA-N 0 0 175.231 2.349 10 0 AEAERN CC(C)Sc1ncccc1C=O 116588771 343769992 /nfs/dbraw/zinc/76/99/92/343769992.db2.gz GLZLRWGXOGKSOM-UHFFFAOYSA-N 0 0 181.260 2.395 10 0 AEAERN CC(=O)c1c(C)nn2cc(C)sc12 116668020 343770141 /nfs/dbraw/zinc/77/01/41/343770141.db2.gz RFFZVSJQUUVSLU-UHFFFAOYSA-N 0 0 194.259 2.215 10 0 AEAERN CC(C)c1cc(=O)[nH]c2ncccc12 116567164 343770159 /nfs/dbraw/zinc/77/01/59/343770159.db2.gz WVJNHTAZDQXNBW-UHFFFAOYSA-N 0 0 188.230 2.047 10 0 AEAERN Oc1ccc2c(c1)[nH]c1ncccc12 116594926 343770248 /nfs/dbraw/zinc/77/02/48/343770248.db2.gz CKPNYHOHCLLSAP-UHFFFAOYSA-N 0 0 184.198 2.422 10 0 AEAERN CCc1c(C)nc(Cl)nc1C 116595700 343770323 /nfs/dbraw/zinc/77/03/23/343770323.db2.gz HEVMLRSJVWFVGE-UHFFFAOYSA-N 0 0 170.643 2.309 10 0 AEAERN CCCCOC1CCC(=O)CC1 116560454 343770374 /nfs/dbraw/zinc/77/03/74/343770374.db2.gz VSJFEVDBWCAVMP-UHFFFAOYSA-N 0 0 170.252 2.315 10 0 AEAERN CC[C@@H]1CC(=O)c2c(N)cccc21 116667901 343770389 /nfs/dbraw/zinc/77/03/89/343770389.db2.gz HZDJHSSCIRXHHY-SSDOTTSWSA-N 0 0 175.231 2.349 10 0 AEAERN CCCCC[C@@H](OC)[C@H](C)CO 116796175 343770965 /nfs/dbraw/zinc/77/09/65/343770965.db2.gz RLMVKHJAOVUWNY-NXEZZACHSA-N 0 0 174.284 2.210 10 0 AEAERN CCCc1nc(Cl)ncc1C 117211595 343772027 /nfs/dbraw/zinc/77/20/27/343772027.db2.gz PMIXRLLHFSXPGP-UHFFFAOYSA-N 0 0 170.643 2.391 10 0 AEAERN CCC/C=C/[C@H](C)C=O 117091351 343772071 /nfs/dbraw/zinc/77/20/71/343772071.db2.gz XJFZYZSTANCBOU-GJIOHYHPSA-N 0 0 126.199 2.178 10 0 AEAERN CCOc1cccc(O)c1OCC 117263982 343772096 /nfs/dbraw/zinc/77/20/96/343772096.db2.gz DSIWZKWQIBJFLX-UHFFFAOYSA-N 0 0 182.219 2.190 10 0 AEAERN C[C@@H](O)[C@@H]1C[C@H]1c1ccccc1 117111683 343772172 /nfs/dbraw/zinc/77/21/72/343772172.db2.gz PLLJUHLZXFKICU-MIMYLULJSA-N 0 0 162.232 2.171 10 0 AEAERN COc1cccc2c1C(C)(C)CO2 117036057 343772266 /nfs/dbraw/zinc/77/22/66/343772266.db2.gz IKQUIQDAHSBWHA-UHFFFAOYSA-N 0 0 178.231 2.365 10 0 AEAERN OCc1ccncc1-c1ccccc1 117052869 343772293 /nfs/dbraw/zinc/77/22/93/343772293.db2.gz FGGZFNVROHPQPR-UHFFFAOYSA-N 0 0 185.226 2.241 10 0 AEAERN C/C=C/c1nc(Cl)ncc1C 117213768 343772398 /nfs/dbraw/zinc/77/23/98/343772398.db2.gz YWPKTSCIIYETTG-ONEGZZNKSA-N 0 0 168.627 2.472 10 0 AEAERN CCC/C=C/[C@@H](C)C=O 117091349 343772444 /nfs/dbraw/zinc/77/24/44/343772444.db2.gz XJFZYZSTANCBOU-HQZHTGGTSA-N 0 0 126.199 2.178 10 0 AEAERN CCOC(=O)[C@@H](C)Cc1ccccc1 117445173 343772765 /nfs/dbraw/zinc/77/27/65/343772765.db2.gz CGLOWJBJSXXLTF-JTQLQIEISA-N 0 0 192.258 2.428 10 0 AEAERN CCC[C@@H]1CCCCC(=O)O1 117562421 343772829 /nfs/dbraw/zinc/77/28/29/343772829.db2.gz SGMOJKXWUUGPQJ-MRVPVSSYSA-N 0 0 156.225 2.272 10 0 AEAERN O=C1CCC(Cl)(Cl)CC1 117367937 343772884 /nfs/dbraw/zinc/77/28/84/343772884.db2.gz NMSUHIFJYNUBQR-UHFFFAOYSA-N 0 0 167.035 2.303 10 0 AEAERN CCOC(=O)[C@H](C)Cc1ccccc1 117445177 343772907 /nfs/dbraw/zinc/77/29/07/343772907.db2.gz CGLOWJBJSXXLTF-SNVBAGLBSA-N 0 0 192.258 2.428 10 0 AEAERN CCc1c(C(=O)OC)ccc(O)c1C 117641302 343773154 /nfs/dbraw/zinc/77/31/54/343773154.db2.gz VSZNIOKHNBGCFK-UHFFFAOYSA-N 0 0 194.230 2.050 10 0 AEAERN Oc1cc(F)c2[nH]ccc2c1 117644780 343773419 /nfs/dbraw/zinc/77/34/19/343773419.db2.gz BHPNRPCMQYNLOO-UHFFFAOYSA-N 0 0 151.140 2.013 10 0 AEAERN COCOc1ccc(O)c(Cl)c1 117641024 343773455 /nfs/dbraw/zinc/77/34/55/343773455.db2.gz XQHBSRYPVNYQOT-UHFFFAOYSA-N 0 0 188.610 2.028 10 0 AEAERN C[C@H](O)c1cc(F)cc(F)c1F 117747696 343773502 /nfs/dbraw/zinc/77/35/02/343773502.db2.gz SNRMWNLIPPBFDR-BYPYZUCNSA-N 0 0 176.137 2.157 10 0 AEAERN O=C(OCCCl)C1CCCCC1 117659211 343773508 /nfs/dbraw/zinc/77/35/08/343773508.db2.gz BYAGDENSDHECRE-UHFFFAOYSA-N 0 0 190.670 2.349 10 0 AEAERN Clc1cc2ncccc2[nH]1 118079288 343774335 /nfs/dbraw/zinc/77/43/35/343774335.db2.gz KNJWXYIUUGMGAW-UHFFFAOYSA-N 0 0 152.584 2.216 10 0 AEAERN CC1=CN(c2ccccc2)CC=N1 117856725 343773758 /nfs/dbraw/zinc/77/37/58/343773758.db2.gz LVWJRUNOYMGMHH-UHFFFAOYSA-N 0 0 172.231 2.439 10 0 AEAERN COC(=O)/C=C/c1c(C)cccc1C 117912654 343773837 /nfs/dbraw/zinc/77/38/37/343773837.db2.gz HOZSQBQIRLRGIO-BQYQJAHWSA-N 0 0 190.242 2.490 10 0 AEAERN CCO[C@H](CC)c1ccc(N)nc1 117991707 343773900 /nfs/dbraw/zinc/77/39/00/343773900.db2.gz FQIVCMZZSHYSAU-SECBINFHSA-N 0 0 180.251 2.151 10 0 AEAERN Cc1cc(C)c(P)c(C)c1 117811034 343773910 /nfs/dbraw/zinc/77/39/10/343773910.db2.gz IHXIYNMVVBIVQO-UHFFFAOYSA-N 0 0 152.177 2.112 10 0 AEAERN CC(=O)SCCC(F)(F)F 117801432 343773974 /nfs/dbraw/zinc/77/39/74/343773974.db2.gz VROJQEWHYFQSKH-UHFFFAOYSA-N 0 0 172.171 2.219 10 0 AEAERN CCO[C@@H](CC)c1ccc(N)nc1 117991705 343774078 /nfs/dbraw/zinc/77/40/78/343774078.db2.gz FQIVCMZZSHYSAU-VIFPVBQESA-N 0 0 180.251 2.151 10 0 AEAERN COC(=O)[C@H](C)SCCCCF 118124525 343774324 /nfs/dbraw/zinc/77/43/24/343774324.db2.gz GDGUINUHJGLNSS-ZETCQYMHSA-N 0 0 194.271 2.031 10 0 AEAERN CCc1nc2ccc(F)cc2[nH]c1=O 118116656 343774342 /nfs/dbraw/zinc/77/43/42/343774342.db2.gz VMODGGAYMOZBHA-UHFFFAOYSA-N 0 0 192.193 2.037 10 0 AEAERN CCOc1ccc2sc(=O)oc2c1 118107596 343774498 /nfs/dbraw/zinc/77/44/98/343774498.db2.gz MPJLMJRVYTZZCU-UHFFFAOYSA-N 0 0 196.227 2.253 10 0 AEAERN COC(=O)[C@@H](C)SCCCCF 118124524 343774623 /nfs/dbraw/zinc/77/46/23/343774623.db2.gz GDGUINUHJGLNSS-SSDOTTSWSA-N 0 0 194.271 2.031 10 0 AEAERN C[C@H](O)c1cc2cnccc2s1 118229160 343774994 /nfs/dbraw/zinc/77/49/94/343774994.db2.gz SBDLITQZSPBITO-LURJTMIESA-N 0 0 179.244 2.350 10 0 AEAERN C[C@@H](O)c1cc2cnccc2s1 118229158 343775093 /nfs/dbraw/zinc/77/50/93/343775093.db2.gz SBDLITQZSPBITO-ZCFIWIBFSA-N 0 0 179.244 2.350 10 0 AEAERN C/C(CO)=C(/C)c1ccccc1 118224243 343775067 /nfs/dbraw/zinc/77/50/67/343775067.db2.gz XVYUFIOBACUUIA-MDZDMXLPSA-N 0 0 162.232 2.472 10 0 AEAERN CC(C)[P@H](=O)c1ccccc1 118178950 343775124 /nfs/dbraw/zinc/77/51/24/343775124.db2.gz QAVNOWGBUASIPS-UHFFFAOYSA-N 0 0 168.176 2.280 10 0 AEAERN O=C1CC[C@@H](c2ccc(O)cc2)C1 118165617 343775151 /nfs/dbraw/zinc/77/51/51/343775151.db2.gz QIPCPQNVFMMVCM-SECBINFHSA-N 0 0 176.215 2.229 10 0 AEAERN CCOc1nc(Cl)ccc1C#N 118372848 343775251 /nfs/dbraw/zinc/77/52/51/343775251.db2.gz RWBGKHIHTWGFGS-UHFFFAOYSA-N 0 0 182.610 2.005 10 0 AEAERN Cn1ccc(-c2ccccc2F)n1 118521554 343775657 /nfs/dbraw/zinc/77/56/57/343775657.db2.gz QSFZFQMEQQGPTN-UHFFFAOYSA-N 0 0 176.194 2.226 10 0 AEAERN CCCN(C)C(=O)c1ccccc1C 118364085 343775661 /nfs/dbraw/zinc/77/56/61/343775661.db2.gz GDQUSTUTSCVICJ-UHFFFAOYSA-N 0 0 191.274 2.477 10 0 AEAERN O=Cc1csc2c(Cl)ncnc12 118380562 343775675 /nfs/dbraw/zinc/77/56/75/343775675.db2.gz HLWWRYUSEGPAGM-UHFFFAOYSA-N 0 0 198.634 2.157 10 0 AEAERN CCCCOCc1ccc(CO)o1 118589833 343776153 /nfs/dbraw/zinc/77/61/53/343776153.db2.gz LNEVVXCGUQVIBC-UHFFFAOYSA-N 0 0 184.235 2.089 10 0 AEAERN Oc1ccc2c(C3CC3)n[nH]c2c1 118595905 343776196 /nfs/dbraw/zinc/77/61/96/343776196.db2.gz IYLJBERCGHGQQA-UHFFFAOYSA-N 0 0 174.203 2.146 10 0 AEAERN CCOc1cc2ccccc2nc1N 118849203 343776810 /nfs/dbraw/zinc/77/68/10/343776810.db2.gz APPNGFVNYPJAEQ-UHFFFAOYSA-N 0 0 188.230 2.216 10 0 AEAERN CCCCNC(=O)CC(=O)CCCC 118849463 343776865 /nfs/dbraw/zinc/77/68/65/343776865.db2.gz TVKCGFKZTGIJQG-UHFFFAOYSA-N 0 0 199.294 2.052 10 0 AEAERN CCC(CC)SC(C)=O 118821085 343776880 /nfs/dbraw/zinc/77/68/80/343776880.db2.gz WMPFEZCYKRNXDO-UHFFFAOYSA-N 0 0 146.255 2.455 10 0 AEAERN CC(C)(F)C(=O)c1cccnc1 118866744 343776890 /nfs/dbraw/zinc/77/68/90/343776890.db2.gz ISJIKAZZRXLSMB-UHFFFAOYSA-N 0 0 167.183 2.012 10 0 AEAERN CCN(C)C(=O)NCCC1CCCC1 121966626 343777261 /nfs/dbraw/zinc/77/72/61/343777261.db2.gz VLVCZTLBXZKETM-UHFFFAOYSA-N 0 0 198.310 2.228 10 0 AEAERN C[C@@H]1Nc2ccccc2NC(=O)[C@H]1C 121942259 343777281 /nfs/dbraw/zinc/77/72/81/343777281.db2.gz XDLOPHGKBNJBCL-YUMQZZPRSA-N 0 0 190.246 2.075 10 0 AEAERN C[C@@H]1Nc2ccccc2NC(=O)[C@@H]1C 121942106 343777323 /nfs/dbraw/zinc/77/73/23/343777323.db2.gz XDLOPHGKBNJBCL-SFYZADRCSA-N 0 0 190.246 2.075 10 0 AEAERN C[C@H]1Nc2ccccc2NC(=O)[C@@H]1C 121942428 343777346 /nfs/dbraw/zinc/77/73/46/343777346.db2.gz XDLOPHGKBNJBCL-HTQZYQBOSA-N 0 0 190.246 2.075 10 0 AEAERN C[C@@H]1C(=O)Nc2ccccc2N[C@@H]1C 121942509 343777378 /nfs/dbraw/zinc/77/73/78/343777378.db2.gz XDLOPHGKBNJBCL-JGVFFNPUSA-N 0 0 190.246 2.075 10 0 AEAERN CC[C@@H](NC(=O)N(C)CC)C(C)C 122069406 343778034 /nfs/dbraw/zinc/77/80/34/343778034.db2.gz AKHUHIIHZSUABG-SECBINFHSA-N 0 0 186.299 2.082 10 0 AEAERN CC[C@H](NC(=O)N(C)CC)C(C)C 122069194 343778317 /nfs/dbraw/zinc/77/83/17/343778317.db2.gz AKHUHIIHZSUABG-VIFPVBQESA-N 0 0 186.299 2.082 10 0 AEAERN CNC(=O)N[C@@H]1CCCC[C@@H]1C(C)C 122432005 343779761 /nfs/dbraw/zinc/77/97/61/343779761.db2.gz KPJWTZUDGLJWMO-NXEZZACHSA-N 0 0 198.310 2.130 10 0 AEAERN CNC(=O)N[C@@H]1CCCC[C@H]1C(C)C 122431775 343780064 /nfs/dbraw/zinc/78/00/64/343780064.db2.gz KPJWTZUDGLJWMO-VHSXEESVSA-N 0 0 198.310 2.130 10 0 AEAERN CNC(=O)N[C@H]1CCCC[C@H]1C(C)C 122431314 343780104 /nfs/dbraw/zinc/78/01/04/343780104.db2.gz KPJWTZUDGLJWMO-UWVGGRQHSA-N 0 0 198.310 2.130 10 0 AEAERN C[C@H]1C[C@H]1CNc1ccc(F)cn1 122793562 343781044 /nfs/dbraw/zinc/78/10/44/343781044.db2.gz MGGOXMCBUBVMLX-YUMQZZPRSA-N 0 0 180.226 2.289 10 0 AEAERN C[C@H]1C[C@@H]1CNc1ccc(F)cn1 122793119 343781059 /nfs/dbraw/zinc/78/10/59/343781059.db2.gz MGGOXMCBUBVMLX-JGVFFNPUSA-N 0 0 180.226 2.289 10 0 AEAERN CC[C@H](NC(=O)NC1CCC1)C(C)C 122927267 343781760 /nfs/dbraw/zinc/78/17/60/343781760.db2.gz UPKYWVXEMKSAKW-JTQLQIEISA-N 0 0 198.310 2.273 10 0 AEAERN CCc1cc(NC[C@H]2C[C@H]2C)ncn1 123462144 343783569 /nfs/dbraw/zinc/78/35/69/343783569.db2.gz KJYLYAUCCYDEKD-RKDXNWHRSA-N 0 0 191.278 2.107 10 0 AEAERN CCc1cc(NC[C@H]2C[C@@H]2C)ncn1 123461686 343783625 /nfs/dbraw/zinc/78/36/25/343783625.db2.gz KJYLYAUCCYDEKD-DTWKUNHWSA-N 0 0 191.278 2.107 10 0 AEAERN CCC(C)(C)Nc1cc(C)ncn1 123460687 343783669 /nfs/dbraw/zinc/78/36/69/343783669.db2.gz CKEBHGXYPBOUMU-UHFFFAOYSA-N 0 0 179.267 2.386 10 0 AEAERN CCc1cc(NC[C@@H]2C[C@@H]2C)ncn1 123461416 343783802 /nfs/dbraw/zinc/78/38/02/343783802.db2.gz KJYLYAUCCYDEKD-IUCAKERBSA-N 0 0 191.278 2.107 10 0 AEAERN CC(C)NC(=O)N1CCCC(C)(C)C1 123419771 343783814 /nfs/dbraw/zinc/78/38/14/343783814.db2.gz YVLLYNGQFOCQMB-UHFFFAOYSA-N 0 0 198.310 2.226 10 0 AEAERN CC(C)NC(=O)N1CCCCC[C@H]1C 123731652 343784126 /nfs/dbraw/zinc/78/41/26/343784126.db2.gz IIRMFVDLHBJRFH-SNVBAGLBSA-N 0 0 198.310 2.369 10 0 AEAERN CCc1cc(NC[C@@H]2C[C@H]2C)ncn1 123461912 343783944 /nfs/dbraw/zinc/78/39/44/343783944.db2.gz KJYLYAUCCYDEKD-BDAKNGLRSA-N 0 0 191.278 2.107 10 0 AEAERN CCCNC(=O)N[C@H](C)C1CCCC1 123639270 343784416 /nfs/dbraw/zinc/78/44/16/343784416.db2.gz MGVZMPIJSZHBOS-SECBINFHSA-N 0 0 198.310 2.274 10 0 AEAERN CCCNC(=O)N1CCCCC[C@@H]1C 123732974 343784490 /nfs/dbraw/zinc/78/44/90/343784490.db2.gz AOXFSZPYJRWTKW-JTQLQIEISA-N 0 0 198.310 2.371 10 0 AEAERN CC(C)NC(=O)N1CCCCC[C@@H]1C 123731888 343784506 /nfs/dbraw/zinc/78/45/06/343784506.db2.gz IIRMFVDLHBJRFH-JTQLQIEISA-N 0 0 198.310 2.369 10 0 AEAERN C[C@H](NC(=O)NC1CC1)C1CCCC1 123638053 343784511 /nfs/dbraw/zinc/78/45/11/343784511.db2.gz NYQCYTVEIDEHEN-QMMMGPOBSA-N 0 0 196.294 2.027 10 0 AEAERN C[C@H]1CCCCCN1C(=O)NC1CC1 123732294 343784528 /nfs/dbraw/zinc/78/45/28/343784528.db2.gz WVPCACPQEQKKBC-VIFPVBQESA-N 0 0 196.294 2.123 10 0 AEAERN CC(C)NC(=O)N[C@@H](C)C1CCCC1 123637604 343784624 /nfs/dbraw/zinc/78/46/24/343784624.db2.gz YVXRDXYHZRQQNY-VIFPVBQESA-N 0 0 198.310 2.273 10 0 AEAERN CCCNC(=O)N[C@@H](C)C1CCCC1 123639032 343784669 /nfs/dbraw/zinc/78/46/69/343784669.db2.gz MGVZMPIJSZHBOS-VIFPVBQESA-N 0 0 198.310 2.274 10 0 AEAERN CNC(=O)NCC[C@@H]1CCC[C@H](C)C1 123869000 343784821 /nfs/dbraw/zinc/78/48/21/343784821.db2.gz QBJMASMZDBNVNH-UWVGGRQHSA-N 0 0 198.310 2.132 10 0 AEAERN FC(F)n1ccc(C(F)(F)F)n1 123890648 343784859 /nfs/dbraw/zinc/78/48/59/343784859.db2.gz NFFOJTKPUOGNDH-UHFFFAOYSA-N 0 0 186.083 2.297 10 0 AEAERN CNC(=O)NCC[C@@H]1CCC[C@@H](C)C1 123868807 343784876 /nfs/dbraw/zinc/78/48/76/343784876.db2.gz QBJMASMZDBNVNH-ZJUUUORDSA-N 0 0 198.310 2.132 10 0 AEAERN CNC(=O)NCC[C@H]1CCC[C@@H](C)C1 123868384 343784948 /nfs/dbraw/zinc/78/49/48/343784948.db2.gz QBJMASMZDBNVNH-NXEZZACHSA-N 0 0 198.310 2.132 10 0 AEAERN CNC(=O)NCC[C@H]1CCC[C@H](C)C1 123868569 343785024 /nfs/dbraw/zinc/78/50/24/343785024.db2.gz QBJMASMZDBNVNH-VHSXEESVSA-N 0 0 198.310 2.132 10 0 AEAERN CNC(=O)N1CCC(C(C)(C)C)CC1 123951229 343785309 /nfs/dbraw/zinc/78/53/09/343785309.db2.gz KZWXRCYVWODGDR-UHFFFAOYSA-N 0 0 198.310 2.084 10 0 AEAERN CC(C)(C)C(=O)NCCCC1CC1 124544933 343786806 /nfs/dbraw/zinc/78/68/06/343786806.db2.gz AWIBPTWGNDCZOY-UHFFFAOYSA-N 0 0 183.295 2.339 10 0 AEAERN CCCC(=O)NCCCC1CC1 124545158 343786837 /nfs/dbraw/zinc/78/68/37/343786837.db2.gz XZIWFRYIFRRDNC-UHFFFAOYSA-N 0 0 169.268 2.093 10 0 AEAERN CCCC(=O)NCCCCSC 124537452 343786860 /nfs/dbraw/zinc/78/68/60/343786860.db2.gz SUUKOUMGTDZQSZ-UHFFFAOYSA-N 0 0 189.324 2.046 10 0 AEAERN O=C(NCCCC1CC1)c1ccco1 124550272 343786867 /nfs/dbraw/zinc/78/68/67/343786867.db2.gz AJEYNJCXLDMUJG-UHFFFAOYSA-N 0 0 193.246 2.200 10 0 AEAERN CSCCCCNc1cnccn1 124704577 343787389 /nfs/dbraw/zinc/78/73/89/343787389.db2.gz MOAPJAXPCQTUCA-UHFFFAOYSA-N 0 0 197.307 2.032 10 0 AEAERN CSCCCCNc1ncccn1 124696689 343787539 /nfs/dbraw/zinc/78/75/39/343787539.db2.gz AFNZKFKJPKATQW-UHFFFAOYSA-N 0 0 197.307 2.032 10 0 AEAERN Cc1cc(NCCCC2CC2)ncn1 124717200 343787556 /nfs/dbraw/zinc/78/75/56/343787556.db2.gz XDIKCZUGYNIAJD-UHFFFAOYSA-N 0 0 191.278 2.387 10 0 AEAERN c1cnc(NCCCC2CC2)nc1 124708309 343787602 /nfs/dbraw/zinc/78/76/02/343787602.db2.gz LZSGBNCZRAMCSE-UHFFFAOYSA-N 0 0 177.251 2.079 10 0 AEAERN c1cnc(NCCCC2CC2)cn1 124716228 343787751 /nfs/dbraw/zinc/78/77/51/343787751.db2.gz CTJSMMAJSWVDCM-UHFFFAOYSA-N 0 0 177.251 2.079 10 0 AEAERN CCN(CC)C(=O)NCCCC1CC1 124838732 343788072 /nfs/dbraw/zinc/78/80/72/343788072.db2.gz JGWSGYWEIVUAJH-UHFFFAOYSA-N 0 0 198.310 2.228 10 0 AEAERN Cc1nccc(C(=O)c2ccccc2)n1 125017967 343788383 /nfs/dbraw/zinc/78/83/83/343788383.db2.gz QDELEVAUESLTRO-UHFFFAOYSA-N 0 0 198.225 2.016 10 0 AEAERN O=C(NCCCC1CC1)NC1CCC1 125075672 343788837 /nfs/dbraw/zinc/78/88/37/343788837.db2.gz RBKSCPJPPBNSTJ-UHFFFAOYSA-N 0 0 196.294 2.028 10 0 AEAERN CCCCNC(=O)NCCCC1CC1 125072658 343788873 /nfs/dbraw/zinc/78/88/73/343788873.db2.gz JCSRXHGEDKTSTO-UHFFFAOYSA-N 0 0 198.310 2.276 10 0 AEAERN CC1(C)CCCN1C(=O)NC1CCC1 125318753 343790122 /nfs/dbraw/zinc/79/01/22/343790122.db2.gz VJZTWPSWRXRISF-UHFFFAOYSA-N 0 0 196.294 2.123 10 0 AEAERN Cc1cscc1NCc1ncc[nH]1 125446447 343790690 /nfs/dbraw/zinc/79/06/90/343790690.db2.gz PGGBOCRCMWVSRQ-UHFFFAOYSA-N 0 0 193.275 2.392 10 0 AEAERN CC(C)[C@H](C)CNC(=O)N1CCCC1 125414433 343790879 /nfs/dbraw/zinc/79/08/79/343790879.db2.gz FVNFBHQGIOVZMK-SNVBAGLBSA-N 0 0 198.310 2.084 10 0 AEAERN CC(C)[C@@H](C)CNC(=O)NC1CCC1 125422188 343790961 /nfs/dbraw/zinc/79/09/61/343790961.db2.gz FUQVRIIFPRDGTA-VIFPVBQESA-N 0 0 198.310 2.130 10 0 AEAERN CC(C)[C@H](C)CNC(=O)NC1CCC1 125422415 343790969 /nfs/dbraw/zinc/79/09/69/343790969.db2.gz FUQVRIIFPRDGTA-SECBINFHSA-N 0 0 198.310 2.130 10 0 AEAERN CC(C)[C@@H](C)CNC(=O)N1CCCC1 125414227 343791001 /nfs/dbraw/zinc/79/10/01/343791001.db2.gz FVNFBHQGIOVZMK-JTQLQIEISA-N 0 0 198.310 2.084 10 0 AEAERN Cc1nnc(NCCCC2CC2)s1 125621679 343791512 /nfs/dbraw/zinc/79/15/12/343791512.db2.gz UHCMMDZOUBCROG-UHFFFAOYSA-N 0 0 197.307 2.449 10 0 AEAERN CC[C@H](C)c1cn2ccncc2n1 126545050 343793826 /nfs/dbraw/zinc/79/38/26/343793826.db2.gz MGYDDGRHFIUVIU-QMMMGPOBSA-N 0 0 175.235 2.243 10 0 AEAERN C[C@H]1CCCc2c1nc1cnccn21 126541393 343793836 /nfs/dbraw/zinc/79/38/36/343793836.db2.gz RMGOGFRUJRNNCX-QMMMGPOBSA-N 0 0 187.246 2.169 10 0 AEAERN CC(C)(C)c1cn2ccncc2n1 126542643 343793868 /nfs/dbraw/zinc/79/38/68/343793868.db2.gz CGEYMPWAQDVVHC-UHFFFAOYSA-N 0 0 175.235 2.027 10 0 AEAERN CC(=O)[C@H]1C[C@H]1c1csc(C)n1 126553995 343793924 /nfs/dbraw/zinc/79/39/24/343793924.db2.gz RKFUMCIMBVRCFY-HTQZYQBOSA-N 0 0 181.260 2.144 10 0 AEAERN CC(=O)[C@@H]1C[C@@H]1c1csc(C)n1 126554731 343793953 /nfs/dbraw/zinc/79/39/53/343793953.db2.gz RKFUMCIMBVRCFY-YUMQZZPRSA-N 0 0 181.260 2.144 10 0 AEAERN C[C@@H]1CCCc2c1nc1cnccn21 126541184 343793975 /nfs/dbraw/zinc/79/39/75/343793975.db2.gz RMGOGFRUJRNNCX-MRVPVSSYSA-N 0 0 187.246 2.169 10 0 AEAERN CCCc1nc2cnccn2c1CC 126543569 343793989 /nfs/dbraw/zinc/79/39/89/343793989.db2.gz BGUHAJKUIQNMHI-UHFFFAOYSA-N 0 0 189.262 2.244 10 0 AEAERN CC[C@@H](C)c1cn2ccncc2n1 126544835 343794054 /nfs/dbraw/zinc/79/40/54/343794054.db2.gz MGYDDGRHFIUVIU-MRVPVSSYSA-N 0 0 175.235 2.243 10 0 AEAERN CC[C@@H]1Oc2cc(F)ccc2C1=O 126687263 343795947 /nfs/dbraw/zinc/79/59/47/343795947.db2.gz DKWFXGJOKBYILZ-QMMMGPOBSA-N 0 0 180.178 2.179 10 0 AEAERN CC[C@@H]1Oc2cc(C)ccc2C1=O 126687575 343795993 /nfs/dbraw/zinc/79/59/93/343795993.db2.gz MXYRAXORVYAIPX-VIFPVBQESA-N 0 0 176.215 2.349 10 0 AEAERN O=Cc1ccn(C2CCCCC2)n1 126697885 343795996 /nfs/dbraw/zinc/79/59/96/343795996.db2.gz LHDGCSQFGWQGIU-UHFFFAOYSA-N 0 0 178.235 2.201 10 0 AEAERN CC(C)[C@@H](NN)C1C(C)(C)C1(C)C 126832943 343797904 /nfs/dbraw/zinc/79/79/04/343797904.db2.gz BTPBPABQBUBUQO-MRVPVSSYSA-N 0 0 184.327 2.157 10 0 AEAERN Nc1nc2c(s1)CCc1occc1-2 126831468 343797955 /nfs/dbraw/zinc/79/79/55/343797955.db2.gz NICRNHULEROZNY-UHFFFAOYSA-N 0 0 192.243 2.084 10 0 AEAERN CC(C)[C@H](NN)C1C(C)(C)C1(C)C 126832713 343798170 /nfs/dbraw/zinc/79/81/70/343798170.db2.gz BTPBPABQBUBUQO-QMMMGPOBSA-N 0 0 184.327 2.157 10 0 AEAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NO 126856055 343798462 /nfs/dbraw/zinc/79/84/62/343798462.db2.gz STNWSDBETBECQL-OPRDCNLKSA-N 0 0 171.284 2.426 10 0 AEAERN CC[C@@H](NN)c1sccc1Cl 126863545 343798603 /nfs/dbraw/zinc/79/86/03/343798603.db2.gz ZPLBIEPJSYQJAN-ZCFIWIBFSA-N 0 0 190.699 2.316 10 0 AEAERN CC[C@H](NN)c1sccc1Cl 126863332 343798698 /nfs/dbraw/zinc/79/86/98/343798698.db2.gz ZPLBIEPJSYQJAN-LURJTMIESA-N 0 0 190.699 2.316 10 0 AEAERN CC[C@H](NN)c1ccc(C)cc1F 126871073 343799072 /nfs/dbraw/zinc/79/90/72/343799072.db2.gz SQONMODGNSMGHU-JTQLQIEISA-N 0 0 182.242 2.049 10 0 AEAERN CCOc1cccc(OC)c1C(C)=O 126880357 343799239 /nfs/dbraw/zinc/79/92/39/343799239.db2.gz PMHRNMDUTHCYTR-UHFFFAOYSA-N 0 0 194.230 2.297 10 0 AEAERN CC[C@@H](NN)c1ccc(C)cc1F 126871276 343799298 /nfs/dbraw/zinc/79/92/98/343799298.db2.gz SQONMODGNSMGHU-SNVBAGLBSA-N 0 0 182.242 2.049 10 0 AEAERN CC[C@@](C)(O)c1c(F)cccc1OC 126938061 343800814 /nfs/dbraw/zinc/80/08/14/343800814.db2.gz KABDRMRZMHIYCW-LLVKDONJSA-N 0 0 198.237 2.452 10 0 AEAERN CC[C@](C)(O)c1c(F)cccc1OC 126937814 343800852 /nfs/dbraw/zinc/80/08/52/343800852.db2.gz KABDRMRZMHIYCW-NSHDSACASA-N 0 0 198.237 2.452 10 0 AEAERN COc1cccc(SC)c1[C@H](C)O 126961122 343801389 /nfs/dbraw/zinc/80/13/89/343801389.db2.gz QHLMVJLPLCUQTR-ZETCQYMHSA-N 0 0 198.287 2.470 10 0 AEAERN COc1cccc(SC)c1[C@@H](C)O 126961367 343801456 /nfs/dbraw/zinc/80/14/56/343801456.db2.gz QHLMVJLPLCUQTR-SSDOTTSWSA-N 0 0 198.287 2.470 10 0 AEAERN COc1cccc(F)c1[C@@H](C)[C@H](C)O 126989331 343801856 /nfs/dbraw/zinc/80/18/56/343801856.db2.gz WEFXFQGQEMBAOO-YUMQZZPRSA-N 0 0 198.237 2.319 10 0 AEAERN COc1cccc(F)c1[C@H](C)[C@@H](C)O 126988632 343801879 /nfs/dbraw/zinc/80/18/79/343801879.db2.gz WEFXFQGQEMBAOO-HTQZYQBOSA-N 0 0 198.237 2.319 10 0 AEAERN COc1cccc(F)c1-c1ccno1 126974444 343801974 /nfs/dbraw/zinc/80/19/74/343801974.db2.gz YTNGTKOUGPHBKR-UHFFFAOYSA-N 0 0 193.177 2.489 10 0 AEAERN COc1cccc(F)c1[C@H](C)[C@H](C)O 126989071 343801999 /nfs/dbraw/zinc/80/19/99/343801999.db2.gz WEFXFQGQEMBAOO-SFYZADRCSA-N 0 0 198.237 2.319 10 0 AEAERN COc1cccc(F)c1[C@@H](C)[C@@H](C)O 126988859 343802087 /nfs/dbraw/zinc/80/20/87/343802087.db2.gz WEFXFQGQEMBAOO-JGVFFNPUSA-N 0 0 198.237 2.319 10 0 AEAERN COc1cccc(F)c1C1CC(=O)C1 127006941 343802665 /nfs/dbraw/zinc/80/26/65/343802665.db2.gz NPACJISNKCQBTG-UHFFFAOYSA-N 0 0 194.205 2.281 10 0 AEAERN COc1cccc(F)c1C1CC(O)C1 127012033 343802831 /nfs/dbraw/zinc/80/28/31/343802831.db2.gz DIUJJGFHHBGGSH-UHFFFAOYSA-N 0 0 196.221 2.073 10 0 AEAERN COc1cc(NC2CCCC2)ccn1 127041873 343803177 /nfs/dbraw/zinc/80/31/77/343803177.db2.gz YTVJXRNFRYLRFZ-UHFFFAOYSA-N 0 0 192.262 2.445 10 0 AEAERN C[C@H]1CCN1c1ccc(N)c(F)c1 127084706 343804128 /nfs/dbraw/zinc/80/41/28/343804128.db2.gz MGZDPSOBRXPBTC-ZETCQYMHSA-N 0 0 180.226 2.007 10 0 AEAERN CC1(C)CN(c2ccc(N)c(F)c2)C1 127085731 343804173 /nfs/dbraw/zinc/80/41/73/343804173.db2.gz OLOKCLLEMWQBML-UHFFFAOYSA-N 0 0 194.253 2.254 10 0 AEAERN CCC1CN(c2ccc(N)c(F)c2)C1 127085499 343804310 /nfs/dbraw/zinc/80/43/10/343804310.db2.gz CTDNLSBROIGHFJ-UHFFFAOYSA-N 0 0 194.253 2.254 10 0 AEAERN Cc1ccc([C@@H](NN)C2CCCC2)o1 127107876 343804347 /nfs/dbraw/zinc/80/43/47/343804347.db2.gz PHWJPLGHZBSYOS-NSHDSACASA-N 0 0 194.278 2.283 10 0 AEAERN C[C@@H]1CCN1c1ccc(N)c(F)c1 127084468 343804492 /nfs/dbraw/zinc/80/44/92/343804492.db2.gz MGZDPSOBRXPBTC-SSDOTTSWSA-N 0 0 180.226 2.007 10 0 AEAERN Cc1ccc([C@H](NN)C2CCCC2)o1 127107621 343804499 /nfs/dbraw/zinc/80/44/99/343804499.db2.gz PHWJPLGHZBSYOS-LLVKDONJSA-N 0 0 194.278 2.283 10 0 AEAERN CC(C)Nc1ccc(N)c(F)c1 127088339 343804512 /nfs/dbraw/zinc/80/45/12/343804512.db2.gz YLCWBBXOXLWVGG-UHFFFAOYSA-N 0 0 168.215 2.228 10 0 AEAERN C[NH2+][C@H](c1ccoc1)[C@H]1CC[C@@H](C)O1 127126175 343804778 /nfs/dbraw/zinc/80/47/78/343804778.db2.gz LBDKOOWXVZWMRI-FBIMIBRVSA-N 0 0 195.262 2.108 10 0 AEAERN CN(c1cc(N)cc(F)c1)C1CCC1 127130784 343804805 /nfs/dbraw/zinc/80/48/05/343804805.db2.gz MHOSRSHBGLMUSG-UHFFFAOYSA-N 0 0 194.253 2.397 10 0 AEAERN CN(c1cccc(N)c1)C1CCC1 127126444 343804965 /nfs/dbraw/zinc/80/49/65/343804965.db2.gz KNVSJIWUKUHCOZ-UHFFFAOYSA-N 0 0 176.263 2.258 10 0 AEAERN C[NH2+][C@H](c1ccoc1)c1coc(C)c1 127128067 343804976 /nfs/dbraw/zinc/80/49/76/343804976.db2.gz UAWSUUPOZMVZQO-LLVKDONJSA-N 0 0 191.230 2.490 10 0 AEAERN C[NH2+][C@H](c1ccoc1)[C@@H]1CC[C@@H](C)O1 127126636 343805081 /nfs/dbraw/zinc/80/50/81/343805081.db2.gz LBDKOOWXVZWMRI-DVVUODLYSA-N 0 0 195.262 2.108 10 0 AEAERN C[NH2+][C@@H](c1ccoc1)c1coc(C)c1 127128309 343805099 /nfs/dbraw/zinc/80/50/99/343805099.db2.gz UAWSUUPOZMVZQO-NSHDSACASA-N 0 0 191.230 2.490 10 0 AEAERN OC1(C2CCC(F)(F)CC2)CC1 127132442 343805104 /nfs/dbraw/zinc/80/51/04/343805104.db2.gz BGHSBGWLMJEYQM-UHFFFAOYSA-N 0 0 176.206 2.337 10 0 AEAERN C[NH2+][C@H](c1ccoc1)[C@H]1CC[C@H](C)O1 127126409 343805154 /nfs/dbraw/zinc/80/51/54/343805154.db2.gz LBDKOOWXVZWMRI-JMJZKYOTSA-N 0 0 195.262 2.108 10 0 AEAERN C[NH2+][C@H](c1ccoc1)[C@@H]1CC[C@H](C)O1 127126867 343805158 /nfs/dbraw/zinc/80/51/58/343805158.db2.gz LBDKOOWXVZWMRI-INTQDDNPSA-N 0 0 195.262 2.108 10 0 AEAERN C[C@H](NN)c1cc2c(s1)CCCC2 127150683 343805386 /nfs/dbraw/zinc/80/53/86/343805386.db2.gz WVXYCEOIVCQXKQ-ZETCQYMHSA-N 0 0 196.319 2.151 10 0 AEAERN CCC(C)(C)Nc1ccnc(C)n1 127161280 343805403 /nfs/dbraw/zinc/80/54/03/343805403.db2.gz NMVPEVPNVZFXAI-UHFFFAOYSA-N 0 0 179.267 2.386 10 0 AEAERN CC(C)(C)CCNc1cccnn1 127163172 343805417 /nfs/dbraw/zinc/80/54/17/343805417.db2.gz VEWFQQSDEPZSOQ-UHFFFAOYSA-N 0 0 179.267 2.325 10 0 AEAERN CN(c1cc(Cl)ncn1)C1CCC1 127156344 343805501 /nfs/dbraw/zinc/80/55/01/343805501.db2.gz IDSXHICBUXVYBJ-UHFFFAOYSA-N 0 0 197.669 2.119 10 0 AEAERN Cc1cc(Cl)cc([C@@H](C)NN)c1 127152034 343805527 /nfs/dbraw/zinc/80/55/27/343805527.db2.gz KCQDOKIOCPZFRK-SSDOTTSWSA-N 0 0 184.670 2.173 10 0 AEAERN CCC(C)(C)Nc1cccnn1 127161065 343805593 /nfs/dbraw/zinc/80/55/93/343805593.db2.gz VVHKRGGKPGSZRE-UHFFFAOYSA-N 0 0 165.240 2.077 10 0 AEAERN Cc1cc(Cl)cc([C@H](C)NN)c1 127152305 343805640 /nfs/dbraw/zinc/80/56/40/343805640.db2.gz KCQDOKIOCPZFRK-ZETCQYMHSA-N 0 0 184.670 2.173 10 0 AEAERN C[C@@H](NN)c1cc2c(s1)CCCC2 127150895 343805706 /nfs/dbraw/zinc/80/57/06/343805706.db2.gz WVXYCEOIVCQXKQ-SSDOTTSWSA-N 0 0 196.319 2.151 10 0 AEAERN CCCC(C)(C)Nc1cccnn1 127174256 343805972 /nfs/dbraw/zinc/80/59/72/343805972.db2.gz SNEYXWSTJRSZGH-UHFFFAOYSA-N 0 0 179.267 2.467 10 0 AEAERN C[C@H](NN)[C@@H]1CCCc2sccc21 127181888 343805984 /nfs/dbraw/zinc/80/59/84/343805984.db2.gz LQXLQQSXBCAZTF-YUMQZZPRSA-N 0 0 196.319 2.020 10 0 AEAERN C[C@H](NN)[C@H]1CCCc2sccc21 127182386 343806089 /nfs/dbraw/zinc/80/60/89/343806089.db2.gz LQXLQQSXBCAZTF-JGVFFNPUSA-N 0 0 196.319 2.020 10 0 AEAERN CCC(CC)CNc1cccnn1 127181164 343806271 /nfs/dbraw/zinc/80/62/71/343806271.db2.gz HTFHNDJDIJZHFT-UHFFFAOYSA-N 0 0 179.267 2.325 10 0 AEAERN C[C@@H](NN)[C@H]1CCCc2sccc21 127182627 343806327 /nfs/dbraw/zinc/80/63/27/343806327.db2.gz LQXLQQSXBCAZTF-HTQZYQBOSA-N 0 0 196.319 2.020 10 0 AEAERN C[C@@H](NN)[C@@H]1CCCc2sccc21 127182133 343806347 /nfs/dbraw/zinc/80/63/47/343806347.db2.gz LQXLQQSXBCAZTF-SFYZADRCSA-N 0 0 196.319 2.020 10 0 AEAERN C[C@@H](NN)c1csc2ccccc12 127188129 343806687 /nfs/dbraw/zinc/80/66/87/343806687.db2.gz KOVLJYIOUDUDMN-SSDOTTSWSA-N 0 0 192.287 2.426 10 0 AEAERN c1cnnc(NCCCC2CC2)c1 127199922 343806695 /nfs/dbraw/zinc/80/66/95/343806695.db2.gz WZRZCBPKHWYLJI-UHFFFAOYSA-N 0 0 177.251 2.079 10 0 AEAERN Cc1ccc([C@H](C)NN)cc1Cl 127186773 343806726 /nfs/dbraw/zinc/80/67/26/343806726.db2.gz VYLWTRRUWPENAT-ZETCQYMHSA-N 0 0 184.670 2.173 10 0 AEAERN C[C@@H](NN)c1cccc(F)c1Cl 127185298 343806740 /nfs/dbraw/zinc/80/67/40/343806740.db2.gz APZQFXNYQYQMJY-RXMQYKEDSA-N 0 0 188.633 2.003 10 0 AEAERN Cc1nccc(NCCCC2CC2)n1 127200176 343806747 /nfs/dbraw/zinc/80/67/47/343806747.db2.gz JSWLOTUGNFSSSF-UHFFFAOYSA-N 0 0 191.278 2.387 10 0 AEAERN C[C@H](NN)c1cccc(F)c1Cl 127185062 343806779 /nfs/dbraw/zinc/80/67/79/343806779.db2.gz APZQFXNYQYQMJY-YFKPBYRVSA-N 0 0 188.633 2.003 10 0 AEAERN Cc1ccc([C@@H](C)NN)cc1Cl 127186545 343806781 /nfs/dbraw/zinc/80/67/81/343806781.db2.gz VYLWTRRUWPENAT-SSDOTTSWSA-N 0 0 184.670 2.173 10 0 AEAERN C[C@H](NN)c1csc2ccccc12 127187924 343806818 /nfs/dbraw/zinc/80/68/18/343806818.db2.gz KOVLJYIOUDUDMN-ZETCQYMHSA-N 0 0 192.287 2.426 10 0 AEAERN Cc1nsc(NCCCC2CC2)n1 127199454 343806878 /nfs/dbraw/zinc/80/68/78/343806878.db2.gz VAXMKIZFFWKMGB-UHFFFAOYSA-N 0 0 197.307 2.449 10 0 AEAERN C/C=C/CCNc1nc(C)ns1 127190629 343806887 /nfs/dbraw/zinc/80/68/87/343806887.db2.gz JQXNXSSLFKFNHI-ONEGZZNKSA-N 0 0 183.280 2.225 10 0 AEAERN CSCCCCNc1cccnn1 127198684 343806936 /nfs/dbraw/zinc/80/69/36/343806936.db2.gz VNPMQJCGOJWWBR-UHFFFAOYSA-N 0 0 197.307 2.032 10 0 AEAERN CCc1ccc(N(C)C(=O)NC)cc1 127235214 343807798 /nfs/dbraw/zinc/80/77/98/343807798.db2.gz GKYROTXSPHOGIP-UHFFFAOYSA-N 0 0 192.262 2.025 10 0 AEAERN C[C@H](NN)c1cc2sccc2s1 127230534 343807819 /nfs/dbraw/zinc/80/78/19/343807819.db2.gz JWJHXBAYKSSEPL-YFKPBYRVSA-N 0 0 198.316 2.487 10 0 AEAERN CSC[C@H](C)Nc1ccccc1N 127226940 343807840 /nfs/dbraw/zinc/80/78/40/343807840.db2.gz NXMDUXYVMVTKIC-QMMMGPOBSA-N 0 0 196.319 2.432 10 0 AEAERN CSC[C@@H](C)Nc1ccccc1N 127227155 343807974 /nfs/dbraw/zinc/80/79/74/343807974.db2.gz NXMDUXYVMVTKIC-MRVPVSSYSA-N 0 0 196.319 2.432 10 0 AEAERN Cc1ccc(-c2cnc(N)nc2)s1 127238864 343808402 /nfs/dbraw/zinc/80/84/02/343808402.db2.gz RNEOLTIHFFAPQN-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN CCN(C)C(=O)N1CC[C@@H](C)C[C@@H]1C 127271109 343808522 /nfs/dbraw/zinc/80/85/22/343808522.db2.gz IOTDSLZSTMVZHZ-ZJUUUORDSA-N 0 0 198.310 2.179 10 0 AEAERN CCN(C)C(=O)N1CC[C@H](C)C[C@H]1C 127271307 343808455 /nfs/dbraw/zinc/80/84/55/343808455.db2.gz IOTDSLZSTMVZHZ-VHSXEESVSA-N 0 0 198.310 2.179 10 0 AEAERN O=C(C[C@H]1CCC[C@@H]1O)C1CCCC1 127255970 343808473 /nfs/dbraw/zinc/80/84/73/343808473.db2.gz CDSPDVYJUXOGQU-MNOVXSKESA-N 0 0 196.290 2.297 10 0 AEAERN O=C(C[C@@H]1CCC[C@H]1O)C1CCCC1 127256198 343808505 /nfs/dbraw/zinc/80/85/05/343808505.db2.gz CDSPDVYJUXOGQU-WDEREUQCSA-N 0 0 196.290 2.297 10 0 AEAERN CCN(C)C(=O)N1CC[C@H](C)C[C@@H]1C 127270912 343808527 /nfs/dbraw/zinc/80/85/27/343808527.db2.gz IOTDSLZSTMVZHZ-UWVGGRQHSA-N 0 0 198.310 2.179 10 0 AEAERN CCc1nc2c([nH]1)[C@@H](C)CCC2 127463202 343811511 /nfs/dbraw/zinc/81/15/11/343811511.db2.gz FTEXMRMJKRDQTO-ZETCQYMHSA-N 0 0 164.252 2.412 10 0 AEAERN FC(F)c1nc2c([nH]1)CCCC2 127445761 343811536 /nfs/dbraw/zinc/81/15/36/343811536.db2.gz VMESGLFDCBZNEW-UHFFFAOYSA-N 0 0 172.178 2.226 10 0 AEAERN CCOCc1nc2c([nH]1)CCC[C@@H]2C 127465100 343811541 /nfs/dbraw/zinc/81/15/41/343811541.db2.gz GLANOUQAHFATJP-QMMMGPOBSA-N 0 0 194.278 2.386 10 0 AEAERN CCOCc1nc2c([nH]1)CCC[C@H]2C 127464824 343811790 /nfs/dbraw/zinc/81/17/90/343811790.db2.gz GLANOUQAHFATJP-MRVPVSSYSA-N 0 0 194.278 2.386 10 0 AEAERN C1CCc2[nH]c([C@H]3CCCO3)nc2C1 127446937 343811861 /nfs/dbraw/zinc/81/18/61/343811861.db2.gz XTAMNPKRZOYBGI-SNVBAGLBSA-N 0 0 192.262 2.140 10 0 AEAERN C1CCc2[nH]c([C@@H]3CCCO3)nc2C1 127446710 343811889 /nfs/dbraw/zinc/81/18/89/343811889.db2.gz XTAMNPKRZOYBGI-JTQLQIEISA-N 0 0 192.262 2.140 10 0 AEAERN CCOc1nc2c([nH]1)[C@@H](C)CCC2 127487792 343812329 /nfs/dbraw/zinc/81/23/29/343812329.db2.gz XUTWKOLQDSQJDA-ZETCQYMHSA-N 0 0 180.251 2.248 10 0 AEAERN CC(C)OC(=O)NC1(C)CCCC1 127471385 343812478 /nfs/dbraw/zinc/81/24/78/343812478.db2.gz HIDHBMWNWCDNDU-UHFFFAOYSA-N 0 0 185.267 2.454 10 0 AEAERN CCc1nc(N)cc(C2CCCC2)n1 127496595 343812428 /nfs/dbraw/zinc/81/24/28/343812428.db2.gz ZUIRDFKRQZSRTE-UHFFFAOYSA-N 0 0 191.278 2.279 10 0 AEAERN CCOc1nc2c([nH]1)[C@H](C)CCC2 127487581 343812538 /nfs/dbraw/zinc/81/25/38/343812538.db2.gz XUTWKOLQDSQJDA-SSDOTTSWSA-N 0 0 180.251 2.248 10 0 AEAERN CNc1cc(C2CCCC2)ncn1 127502701 343812573 /nfs/dbraw/zinc/81/25/73/343812573.db2.gz GQMWAXLTTDIMLK-UHFFFAOYSA-N 0 0 177.251 2.176 10 0 AEAERN C[C@H]1CCc2[nH]c(C(F)F)nc2C1 127528461 343813032 /nfs/dbraw/zinc/81/30/32/343813032.db2.gz DTACPAHSBBEFSG-YFKPBYRVSA-N 0 0 186.205 2.472 10 0 AEAERN Cn1[nH]c(C2CCCC2)cc1=S 127529105 343813067 /nfs/dbraw/zinc/81/30/67/343813067.db2.gz XGMPAZLTHVLIRO-UHFFFAOYSA-N 0 0 182.292 2.366 10 0 AEAERN CCNC(=O)NC1CCC(C)(C)CC1 127557113 343813827 /nfs/dbraw/zinc/81/38/27/343813827.db2.gz ZRTKQYSVQKSNRI-UHFFFAOYSA-N 0 0 198.310 2.274 10 0 AEAERN CCOc1nc2c([nH]1)CC[C@@H](CC)C2 127560288 343813886 /nfs/dbraw/zinc/81/38/86/343813886.db2.gz YPELXUWCRVAZQD-MRVPVSSYSA-N 0 0 194.278 2.323 10 0 AEAERN CCOc1nc2c([nH]1)CC[C@H](CC)C2 127560526 343814020 /nfs/dbraw/zinc/81/40/20/343814020.db2.gz YPELXUWCRVAZQD-QMMMGPOBSA-N 0 0 194.278 2.323 10 0 AEAERN CC(C)(C)c1ccc(N)c(CO)c1 127596925 343814581 /nfs/dbraw/zinc/81/45/81/343814581.db2.gz LYHKULWXCCVYDI-UHFFFAOYSA-N 0 0 179.263 2.059 10 0 AEAERN CN(c1ccc(CO)cc1)C1CCC1 127610110 343815143 /nfs/dbraw/zinc/81/51/43/343815143.db2.gz KRLMYUFNNMFVRL-UHFFFAOYSA-N 0 0 191.274 2.168 10 0 AEAERN COC(=O)N[C@@H]1CCCCC[C@H]1C 127631510 343815801 /nfs/dbraw/zinc/81/58/01/343815801.db2.gz SIRDRNGMGMWFBZ-RKDXNWHRSA-N 0 0 185.267 2.311 10 0 AEAERN COC(=O)N[C@H]1CCCCC[C@H]1C 127631046 343815807 /nfs/dbraw/zinc/81/58/07/343815807.db2.gz SIRDRNGMGMWFBZ-BDAKNGLRSA-N 0 0 185.267 2.311 10 0 AEAERN COC(=O)N[C@H]1CCCCC[C@@H]1C 127631299 343815890 /nfs/dbraw/zinc/81/58/90/343815890.db2.gz SIRDRNGMGMWFBZ-IUCAKERBSA-N 0 0 185.267 2.311 10 0 AEAERN COC(=O)N[C@@H]1CCCCC[C@@H]1C 127631774 343815932 /nfs/dbraw/zinc/81/59/32/343815932.db2.gz SIRDRNGMGMWFBZ-DTWKUNHWSA-N 0 0 185.267 2.311 10 0 AEAERN CC[C@@H](C)[N@@H+]1CCCC[C@@]1(C)C(=O)[O-] 127635116 343815937 /nfs/dbraw/zinc/81/59/37/343815937.db2.gz JSBUKOCDOCNWLS-KOLCDFICSA-N 0 0 199.294 2.114 10 0 AEAERN CN(c1ccnc(F)c1)C1CCC1 127665556 343816208 /nfs/dbraw/zinc/81/62/08/343816208.db2.gz LTEUERAAUQMOLC-UHFFFAOYSA-N 0 0 180.226 2.209 10 0 AEAERN CC[C@H]1CC[C@H](C)N1C(=O)N(C)CC 127732473 343817443 /nfs/dbraw/zinc/81/74/43/343817443.db2.gz ZUEHBHDQAYRMKS-UWVGGRQHSA-N 0 0 198.310 2.321 10 0 AEAERN CC[C@@H]1CC[C@H](C)N1C(=O)N(C)CC 127732260 343817486 /nfs/dbraw/zinc/81/74/86/343817486.db2.gz ZUEHBHDQAYRMKS-VHSXEESVSA-N 0 0 198.310 2.321 10 0 AEAERN CC[C@H]1CC[C@@H](C)N1C(=O)N(C)CC 127732907 343817753 /nfs/dbraw/zinc/81/77/53/343817753.db2.gz ZUEHBHDQAYRMKS-ZJUUUORDSA-N 0 0 198.310 2.321 10 0 AEAERN CC[C@@H]1CC[C@@H](C)N1C(=O)N(C)CC 127732700 343817932 /nfs/dbraw/zinc/81/79/32/343817932.db2.gz ZUEHBHDQAYRMKS-NXEZZACHSA-N 0 0 198.310 2.321 10 0 AEAERN Cn1nc(C2CCCCC2)[nH]c1=S 127750419 343818386 /nfs/dbraw/zinc/81/83/86/343818386.db2.gz YTAKECQTTRIZNE-UHFFFAOYSA-N 0 0 197.307 2.152 10 0 AEAERN Cc1cnc2sc3c(n12)CCC3 127780463 343818842 /nfs/dbraw/zinc/81/88/42/343818842.db2.gz CYDRJOBLERMXAS-UHFFFAOYSA-N 0 0 178.260 2.193 10 0 AEAERN CCc1cn2c3c(sc2n1)CCC3 127780257 343818879 /nfs/dbraw/zinc/81/88/79/343818879.db2.gz NSEQXQFAVJQNDI-UHFFFAOYSA-N 0 0 192.287 2.447 10 0 AEAERN CCc1cnc2sc3c(n12)CCC3 127774959 343819100 /nfs/dbraw/zinc/81/91/00/343819100.db2.gz PCGNHPNDFIAAON-UHFFFAOYSA-N 0 0 192.287 2.447 10 0 AEAERN CCC(CC)c1nn(C)c(=S)[nH]1 127812688 343819671 /nfs/dbraw/zinc/81/96/71/343819671.db2.gz FEHBHULRKJRPSQ-UHFFFAOYSA-N 0 0 185.296 2.007 10 0 AEAERN CSC[C@H](C)n1cc[nH]c1=S 127804002 343819780 /nfs/dbraw/zinc/81/97/80/343819780.db2.gz AKOQVYQSBRWWLW-LURJTMIESA-N 0 0 188.321 2.096 10 0 AEAERN CC(C)OC(=O)NC1(C)CCC1 127814429 343819801 /nfs/dbraw/zinc/81/98/01/343819801.db2.gz UBKJPIFUODSKNE-UHFFFAOYSA-N 0 0 171.240 2.064 10 0 AEAERN COC(=O)Nc1c(C)cccc1F 127875498 343820570 /nfs/dbraw/zinc/82/05/70/343820570.db2.gz MUTSDYSZUSVUHJ-UHFFFAOYSA-N 0 0 183.182 2.312 10 0 AEAERN OC1(Cc2ccc(F)c(F)c2)CCC1 127835417 343820592 /nfs/dbraw/zinc/82/05/92/343820592.db2.gz YOLSVMJFVHBODE-UHFFFAOYSA-N 0 0 198.212 2.422 10 0 AEAERN CSC[C@H](C)n1cccc1 127926152 343820867 /nfs/dbraw/zinc/82/08/67/343820867.db2.gz COHWUILYBISEHW-QMMMGPOBSA-N 0 0 155.266 2.412 10 0 AEAERN CC(C)C(=O)C[C@H]1CCCCO1 128010405 343822820 /nfs/dbraw/zinc/82/28/20/343822820.db2.gz JDKRDUMTHGNTER-SECBINFHSA-N 0 0 170.252 2.171 10 0 AEAERN O=C(C[C@@H]1CCCCO1)c1ccoc1 128009219 343822970 /nfs/dbraw/zinc/82/29/70/343822970.db2.gz MDPNEMDMTMKNGU-JTQLQIEISA-N 0 0 194.230 2.422 10 0 AEAERN O=C(C[C@H]1CCCCO1)c1ccoc1 128009429 343822975 /nfs/dbraw/zinc/82/29/75/343822975.db2.gz MDPNEMDMTMKNGU-SNVBAGLBSA-N 0 0 194.230 2.422 10 0 AEAERN CC(C)C(=O)C[C@@H]1CCCCO1 128010193 343823266 /nfs/dbraw/zinc/82/32/66/343823266.db2.gz JDKRDUMTHGNTER-VIFPVBQESA-N 0 0 170.252 2.171 10 0 AEAERN C[C@@H]1CC[C@H](n2cncc2C=O)C1 128084926 343823952 /nfs/dbraw/zinc/82/39/52/343823952.db2.gz GPEGSQOSHPHXQS-BDAKNGLRSA-N 0 0 178.235 2.057 10 0 AEAERN Cc1cc2c(cc1Cl)NC(=O)C2 128077526 343824120 /nfs/dbraw/zinc/82/41/20/343824120.db2.gz MBUZPLVFYBXHCH-UHFFFAOYSA-N 0 0 181.622 2.143 10 0 AEAERN CC[C@@H]1CCNc2cccnc2N1 128072961 343824177 /nfs/dbraw/zinc/82/41/77/343824177.db2.gz JVAYAKJQIWIUEH-MRVPVSSYSA-N 0 0 177.251 2.088 10 0 AEAERN C[C@@H]1CC[C@@H](n2cncc2C=O)C1 128085397 343824253 /nfs/dbraw/zinc/82/42/53/343824253.db2.gz GPEGSQOSHPHXQS-RKDXNWHRSA-N 0 0 178.235 2.057 10 0 AEAERN Cc1cc(Cl)c(N)c(N)c1Cl 128081107 343824260 /nfs/dbraw/zinc/82/42/60/343824260.db2.gz DTNSEWKGMIEVSI-UHFFFAOYSA-N 0 0 191.061 2.466 10 0 AEAERN C[C@H]1CC[C@@H](n2cncc2C=O)C1 128085604 343824573 /nfs/dbraw/zinc/82/45/73/343824573.db2.gz GPEGSQOSHPHXQS-DTWKUNHWSA-N 0 0 178.235 2.057 10 0 AEAERN CC(C)c1c[nH]c(=O)n1C1CCC1 128093199 343824786 /nfs/dbraw/zinc/82/47/86/343824786.db2.gz BZDYVCSJEZWTJI-UHFFFAOYSA-N 0 0 180.251 2.025 10 0 AEAERN O[C@H](C[C@@H]1CCCCO1)c1ccoc1 128242789 343827084 /nfs/dbraw/zinc/82/70/84/343827084.db2.gz JYONHLSNPHRGCX-WDEREUQCSA-N 0 0 196.246 2.272 10 0 AEAERN O[C@@H](C[C@@H]1CCCCO1)c1ccoc1 128243027 343827185 /nfs/dbraw/zinc/82/71/85/343827185.db2.gz JYONHLSNPHRGCX-QWRGUYRKSA-N 0 0 196.246 2.272 10 0 AEAERN O[C@H](C[C@H]1CCCCO1)c1ccoc1 128243233 343827246 /nfs/dbraw/zinc/82/72/46/343827246.db2.gz JYONHLSNPHRGCX-GHMZBOCLSA-N 0 0 196.246 2.272 10 0 AEAERN O[C@@H](C[C@H]1CCCCO1)c1ccoc1 128243474 343827278 /nfs/dbraw/zinc/82/72/78/343827278.db2.gz JYONHLSNPHRGCX-MNOVXSKESA-N 0 0 196.246 2.272 10 0 AEAERN CC(C)(C)[C@@H](O)C[C@H]1CCCCO1 128258414 343827496 /nfs/dbraw/zinc/82/74/96/343827496.db2.gz NGFLSTVXLQZMDP-ZJUUUORDSA-N 0 0 186.295 2.353 10 0 AEAERN CC(C)(C)[C@H](O)C[C@@H]1CCCCO1 128257694 343827801 /nfs/dbraw/zinc/82/78/01/343827801.db2.gz NGFLSTVXLQZMDP-VHSXEESVSA-N 0 0 186.295 2.353 10 0 AEAERN CC(C)(C)[C@@H](O)C[C@@H]1CCCCO1 128257934 343827855 /nfs/dbraw/zinc/82/78/55/343827855.db2.gz NGFLSTVXLQZMDP-UWVGGRQHSA-N 0 0 186.295 2.353 10 0 AEAERN CC(C)(C)[C@H](O)C[C@H]1CCCCO1 128258180 343827866 /nfs/dbraw/zinc/82/78/66/343827866.db2.gz NGFLSTVXLQZMDP-NXEZZACHSA-N 0 0 186.295 2.353 10 0 AEAERN C[C@@H]1CC[C@H](Nc2ccc(N)nc2)C1 128295130 343828014 /nfs/dbraw/zinc/82/80/14/343828014.db2.gz DIDYSTNVHQVZOD-BDAKNGLRSA-N 0 0 191.278 2.264 10 0 AEAERN O[C@H](C[C@H]1CCCCO1)c1ccco1 128285759 343828058 /nfs/dbraw/zinc/82/80/58/343828058.db2.gz RRSTYRPPXMMGRF-NXEZZACHSA-N 0 0 196.246 2.272 10 0 AEAERN O[C@@H](C[C@@H]1CCCCO1)c1ccco1 128285508 343828063 /nfs/dbraw/zinc/82/80/63/343828063.db2.gz RRSTYRPPXMMGRF-UWVGGRQHSA-N 0 0 196.246 2.272 10 0 AEAERN C[C@H]1CC[C@@H](Nc2ccc(N)nc2)C1 128295755 343828083 /nfs/dbraw/zinc/82/80/83/343828083.db2.gz DIDYSTNVHQVZOD-DTWKUNHWSA-N 0 0 191.278 2.264 10 0 AEAERN C[C@H]1CC[C@H](Nc2ccc(N)nc2)C1 128295319 343828348 /nfs/dbraw/zinc/82/83/48/343828348.db2.gz DIDYSTNVHQVZOD-IUCAKERBSA-N 0 0 191.278 2.264 10 0 AEAERN C[C@@H]1CC[C@@H](Nc2ccc(N)nc2)C1 128295530 343828361 /nfs/dbraw/zinc/82/83/61/343828361.db2.gz DIDYSTNVHQVZOD-RKDXNWHRSA-N 0 0 191.278 2.264 10 0 AEAERN N[C@H](CC1CCC1)C(F)(F)F 128412949 343830568 /nfs/dbraw/zinc/83/05/68/343830568.db2.gz XEGMUUBJJVKXFM-ZCFIWIBFSA-N 0 0 167.174 2.066 10 0 AEAERN Cc1sc(C(C)(C)C)nc1N 131881639 343890428 /nfs/dbraw/zinc/89/04/28/343890428.db2.gz GNGXOMCHYSZXLV-UHFFFAOYSA-N 0 0 170.281 2.331 10 0 AEAERN N[C@@H](CC1CCC1)C(F)(F)F 128412695 343830636 /nfs/dbraw/zinc/83/06/36/343830636.db2.gz XEGMUUBJJVKXFM-LURJTMIESA-N 0 0 167.174 2.066 10 0 AEAERN CC[C@]1(C)CNc2cccnc2NC1 128460336 343831986 /nfs/dbraw/zinc/83/19/86/343831986.db2.gz DSWOLIJMLSSUNL-LLVKDONJSA-N 0 0 191.278 2.335 10 0 AEAERN CC[C@@]1(C)CNc2cccnc2NC1 128460546 343832266 /nfs/dbraw/zinc/83/22/66/343832266.db2.gz DSWOLIJMLSSUNL-NSHDSACASA-N 0 0 191.278 2.335 10 0 AEAERN OCc1cnn(C2CCCCCC2)c1 128479434 343832903 /nfs/dbraw/zinc/83/29/03/343832903.db2.gz JVHGLWOQJBNVNC-UHFFFAOYSA-N 0 0 194.278 2.271 10 0 AEAERN Cc1ccc(C)n1C(C)(C)[C@H](C)O 128520410 343833436 /nfs/dbraw/zinc/83/34/36/343833436.db2.gz JLWPQPQUYCRKNF-JTQLQIEISA-N 0 0 181.279 2.221 10 0 AEAERN Cc1ccc(C)n1C(C)(C)[C@@H](C)O 128520161 343833564 /nfs/dbraw/zinc/83/35/64/343833564.db2.gz JLWPQPQUYCRKNF-SNVBAGLBSA-N 0 0 181.279 2.221 10 0 AEAERN CC(C)Nc1cccc([S@@](C)=O)c1 128610334 343834533 /nfs/dbraw/zinc/83/45/33/343834533.db2.gz HHWLLBIVOKCRJW-ZDUSSCGKSA-N 0 0 197.303 2.244 10 0 AEAERN CC(C)Nc1cccc([S@](C)=O)c1 128610119 343834935 /nfs/dbraw/zinc/83/49/35/343834935.db2.gz HHWLLBIVOKCRJW-CYBMUJFWSA-N 0 0 197.303 2.244 10 0 AEAERN Cc1cccc2c1CNCC2(F)F 128647012 343835178 /nfs/dbraw/zinc/83/51/78/343835178.db2.gz FIJHDERCNVEXGG-UHFFFAOYSA-N 0 0 183.201 2.190 10 0 AEAERN Cc1cccc2c1C(F)(F)CNC2 128656823 343835438 /nfs/dbraw/zinc/83/54/38/343835438.db2.gz RBANUHMZCCQZFF-UHFFFAOYSA-N 0 0 183.201 2.190 10 0 AEAERN Cc1ccc2c(c1)C(F)(F)CNC2 128653708 343835485 /nfs/dbraw/zinc/83/54/85/343835485.db2.gz PZTUBQYKOYLRJA-UHFFFAOYSA-N 0 0 183.201 2.190 10 0 AEAERN Cc1ccc2c(c1)CNCC2(F)F 128649882 343835565 /nfs/dbraw/zinc/83/55/65/343835565.db2.gz CELBDBMSEKJVEJ-UHFFFAOYSA-N 0 0 183.201 2.190 10 0 AEAERN CCC[C@H]1CCNc2cccnc2N1 128758997 343836614 /nfs/dbraw/zinc/83/66/14/343836614.db2.gz LXYCTBJLPUCRJK-VIFPVBQESA-N 0 0 191.278 2.478 10 0 AEAERN Cc1oc2ccccc2c1C(N)=S 128737704 343836802 /nfs/dbraw/zinc/83/68/02/343836802.db2.gz ABJGLAVOKKREQG-UHFFFAOYSA-N 0 0 191.255 2.375 10 0 AEAERN COC1(C(=O)c2ccoc2)CCCC1 128753984 343837078 /nfs/dbraw/zinc/83/70/78/343837078.db2.gz STCMYTOIJNBKOH-UHFFFAOYSA-N 0 0 194.230 2.422 10 0 AEAERN CC(C)C(=O)[C@H]1COc2ccccc21 128797602 343837224 /nfs/dbraw/zinc/83/72/24/343837224.db2.gz GUTCULGHQRSRSL-JTQLQIEISA-N 0 0 190.242 2.388 10 0 AEAERN COC1([C@H](O)c2ccco2)CCCC1 128794595 343837254 /nfs/dbraw/zinc/83/72/54/343837254.db2.gz LYYRIYQYVSODNR-SNVBAGLBSA-N 0 0 196.246 2.272 10 0 AEAERN COC1([C@@H](O)c2ccco2)CCCC1 128794805 343837303 /nfs/dbraw/zinc/83/73/03/343837303.db2.gz LYYRIYQYVSODNR-JTQLQIEISA-N 0 0 196.246 2.272 10 0 AEAERN O=C(C1CC1)[C@H]1COc2ccccc21 128793509 343837362 /nfs/dbraw/zinc/83/73/62/343837362.db2.gz OPCFUVBZXKFAPS-JTQLQIEISA-N 0 0 188.226 2.142 10 0 AEAERN CC(C)C(=O)[C@@H]1COc2ccccc21 128797354 343837513 /nfs/dbraw/zinc/83/75/13/343837513.db2.gz GUTCULGHQRSRSL-SNVBAGLBSA-N 0 0 190.242 2.388 10 0 AEAERN COC1(C(=O)c2ccco2)CCCC1 128762638 343837527 /nfs/dbraw/zinc/83/75/27/343837527.db2.gz QFHYNQJGGZFJKE-UHFFFAOYSA-N 0 0 194.230 2.422 10 0 AEAERN O=C(C1CC1)[C@@H]1COc2ccccc21 128793302 343837533 /nfs/dbraw/zinc/83/75/33/343837533.db2.gz OPCFUVBZXKFAPS-SNVBAGLBSA-N 0 0 188.226 2.142 10 0 AEAERN COC1([C@H](O)C2CCCC2)CCCC1 128799137 343837668 /nfs/dbraw/zinc/83/76/68/343837668.db2.gz RFKHORRWQDCQOI-LLVKDONJSA-N 0 0 198.306 2.497 10 0 AEAERN COC1([C@@H](O)C2CCCC2)CCCC1 128799341 343837672 /nfs/dbraw/zinc/83/76/72/343837672.db2.gz RFKHORRWQDCQOI-NSHDSACASA-N 0 0 198.306 2.497 10 0 AEAERN CCC(=O)[C@H]1COc2ccccc21 128805654 343838099 /nfs/dbraw/zinc/83/80/99/343838099.db2.gz FCSDERRETYTUNO-VIFPVBQESA-N 0 0 176.215 2.142 10 0 AEAERN CCC(=O)[C@@H]1COc2ccccc21 128805458 343838256 /nfs/dbraw/zinc/83/82/56/343838256.db2.gz FCSDERRETYTUNO-SECBINFHSA-N 0 0 176.215 2.142 10 0 AEAERN CC(C)[C@@H](O)[C@@H]1COc2ccccc21 128855612 343838654 /nfs/dbraw/zinc/83/86/54/343838654.db2.gz OQKBBXPAMKQPIF-ZYHUDNBSSA-N 0 0 192.258 2.180 10 0 AEAERN CC(C)[C@@H](O)[C@H]1COc2ccccc21 128856045 343838774 /nfs/dbraw/zinc/83/87/74/343838774.db2.gz OQKBBXPAMKQPIF-CMPLNLGQSA-N 0 0 192.258 2.180 10 0 AEAERN CCC[C@H](O)[C@@H]1COc2ccccc21 128854477 343838812 /nfs/dbraw/zinc/83/88/12/343838812.db2.gz ULMXKQZFRTYMPV-MNOVXSKESA-N 0 0 192.258 2.324 10 0 AEAERN OCC1(Cc2ccc(F)c(F)c2)CC1 128851298 343838834 /nfs/dbraw/zinc/83/88/34/343838834.db2.gz AFIUTAJSSGFNTR-UHFFFAOYSA-N 0 0 198.212 2.280 10 0 AEAERN CC(C)[C@H](O)[C@@H]1COc2ccccc21 128855390 343838842 /nfs/dbraw/zinc/83/88/42/343838842.db2.gz OQKBBXPAMKQPIF-PWSUYJOCSA-N 0 0 192.258 2.180 10 0 AEAERN CCC[C@H](O)[C@H]1COc2ccccc21 128854912 343838856 /nfs/dbraw/zinc/83/88/56/343838856.db2.gz ULMXKQZFRTYMPV-QWRGUYRKSA-N 0 0 192.258 2.324 10 0 AEAERN CC(C)[C@H](O)[C@H]1COc2ccccc21 128855803 343838883 /nfs/dbraw/zinc/83/88/83/343838883.db2.gz OQKBBXPAMKQPIF-JQWIXIFHSA-N 0 0 192.258 2.180 10 0 AEAERN CON[C@@H]1CCCCC1(C)C 132968895 343908966 /nfs/dbraw/zinc/90/89/66/343908966.db2.gz VKRZYLOJRMJIOC-MRVPVSSYSA-N 0 0 157.257 2.106 10 0 AEAERN CONC1CCC(C(C)C)CC1 133006360 343910035 /nfs/dbraw/zinc/91/00/35/343910035.db2.gz ZYIMNBZSDVUSFU-UHFFFAOYSA-N 0 0 171.284 2.352 10 0 AEAERN Cc1c(N)nnn1C1CCCCCC1 128914718 343840020 /nfs/dbraw/zinc/84/00/20/343840020.db2.gz MUUDVIXSVJMOLP-UHFFFAOYSA-N 0 0 194.282 2.064 10 0 AEAERN C=Cc1cn(C)nc1C(C)(C)C 128947541 343840635 /nfs/dbraw/zinc/84/06/35/343840635.db2.gz DCFOMZVIPCBHCX-UHFFFAOYSA-N 0 0 164.252 2.361 10 0 AEAERN CCOC(=N)[C@H]1Cc2ccccc2O1 128926347 343840648 /nfs/dbraw/zinc/84/06/48/343840648.db2.gz PLHLRRBJGJQEMD-SNVBAGLBSA-N 0 0 191.230 2.004 10 0 AEAERN CCSCCC(=O)OC(C)(C)C 128948876 343840732 /nfs/dbraw/zinc/84/07/32/343840732.db2.gz APJHUVGVFXUOFZ-UHFFFAOYSA-N 0 0 190.308 2.471 10 0 AEAERN CCOC(=N)[C@@H]1Cc2ccccc2O1 128926098 343840864 /nfs/dbraw/zinc/84/08/64/343840864.db2.gz PLHLRRBJGJQEMD-JTQLQIEISA-N 0 0 191.230 2.004 10 0 AEAERN CC(=O)c1cc(NC(C)C)ccc1N 128964421 343841246 /nfs/dbraw/zinc/84/12/46/343841246.db2.gz LOYNJSKECGROQY-UHFFFAOYSA-N 0 0 192.262 2.292 10 0 AEAERN CCC1(NC(=O)c2ccco2)CCC1 128979425 343841799 /nfs/dbraw/zinc/84/17/99/343841799.db2.gz MFUAVAVSBCJXBM-UHFFFAOYSA-N 0 0 193.246 2.342 10 0 AEAERN CCC1(NC(=O)NC(C)C)CCC1 128986914 343841980 /nfs/dbraw/zinc/84/19/80/343841980.db2.gz HLSZNZMPWXZVCT-UHFFFAOYSA-N 0 0 184.283 2.027 10 0 AEAERN CCC1(NC(=O)C(C)C)CCC1 128979191 343841988 /nfs/dbraw/zinc/84/19/88/343841988.db2.gz WAFBQHBOFYDGQZ-UHFFFAOYSA-N 0 0 169.268 2.091 10 0 AEAERN CCC1(NC(=O)N2CCCC2)CCC1 128969390 343842079 /nfs/dbraw/zinc/84/20/79/343842079.db2.gz TVRVQDHKDVQPIP-UHFFFAOYSA-N 0 0 196.294 2.125 10 0 AEAERN C[C@H]1C[C@@H]1CNc1ncc(Cl)cn1 129080702 343843695 /nfs/dbraw/zinc/84/36/95/343843695.db2.gz FBBRKBMSTBLCTB-NKWVEPMBSA-N 0 0 197.669 2.198 10 0 AEAERN C[C@H]1C[C@H]1CNc1ncc(Cl)cn1 129081064 343843832 /nfs/dbraw/zinc/84/38/32/343843832.db2.gz FBBRKBMSTBLCTB-BQBZGAKWSA-N 0 0 197.669 2.198 10 0 AEAERN Cc1nn(C)cc1-c1cc(Cl)on1 129175753 343845769 /nfs/dbraw/zinc/84/57/69/343845769.db2.gz JZOWPZRJEGXVID-UHFFFAOYSA-N 0 0 197.625 2.037 10 0 AEAERN C[C@@H]1CC[C@H]([C@H]([NH3+])c2ccsc2)O1 129216506 343846316 /nfs/dbraw/zinc/84/63/16/343846316.db2.gz APOOABYUWGBNEB-SZEHBUNVSA-N 0 0 197.303 2.315 10 0 AEAERN C[C@@H]1CC[C@@H]([C@H]([NH3+])c2ccsc2)O1 129216978 343846360 /nfs/dbraw/zinc/84/63/60/343846360.db2.gz APOOABYUWGBNEB-FKTZTGRPSA-N 0 0 197.303 2.315 10 0 AEAERN CC(C)CC(=O)C(F)(F)Cl 129236170 343846366 /nfs/dbraw/zinc/84/63/66/343846366.db2.gz ZJTNLLKOXDLXRK-UHFFFAOYSA-N 0 0 170.586 2.433 10 0 AEAERN CC[C@@H]1Oc2c(C)cc(F)cc2[C@@H]1[NH3+] 129268314 343846719 /nfs/dbraw/zinc/84/67/19/343846719.db2.gz VPNYKSMVHVXIAL-UWVGGRQHSA-N 0 0 195.237 2.305 10 0 AEAERN CC[C@H]1Oc2c(C)cc(F)cc2[C@@H]1[NH3+] 129268100 343846887 /nfs/dbraw/zinc/84/68/87/343846887.db2.gz VPNYKSMVHVXIAL-ZJUUUORDSA-N 0 0 195.237 2.305 10 0 AEAERN [NH3+][C@H](c1ccsc1)[C@H]1CCCCO1 129264411 343846902 /nfs/dbraw/zinc/84/69/02/343846902.db2.gz OSUIGTGJHFTTIC-NXEZZACHSA-N 0 0 197.303 2.317 10 0 AEAERN C[C@@H](c1ccc(N)cc1)[NH+]1CC=CC1 129253799 343846947 /nfs/dbraw/zinc/84/69/47/343846947.db2.gz KIXWSRUDTRYHLL-JTQLQIEISA-N 0 0 188.274 2.202 10 0 AEAERN CC[C@@H]1Oc2c(C)cc(F)cc2[C@H]1[NH3+] 129267870 343846995 /nfs/dbraw/zinc/84/69/95/343846995.db2.gz VPNYKSMVHVXIAL-VHSXEESVSA-N 0 0 195.237 2.305 10 0 AEAERN CC[NH2+][C@@H]1COc2c(C)cc(F)cc21 129262676 343847025 /nfs/dbraw/zinc/84/70/25/343847025.db2.gz AAMACDHDOOCRAP-SNVBAGLBSA-N 0 0 195.237 2.177 10 0 AEAERN CC[C@H]1Oc2c(C)cc(F)cc2[C@H]1[NH3+] 129267641 343847062 /nfs/dbraw/zinc/84/70/62/343847062.db2.gz VPNYKSMVHVXIAL-NXEZZACHSA-N 0 0 195.237 2.305 10 0 AEAERN CC[NH2+][C@H]1COc2c(C)cc(F)cc21 129262885 343847133 /nfs/dbraw/zinc/84/71/33/343847133.db2.gz AAMACDHDOOCRAP-JTQLQIEISA-N 0 0 195.237 2.177 10 0 AEAERN C[NH2+][C@@H]1CCOc2c(C)cc(F)cc21 129264231 343847179 /nfs/dbraw/zinc/84/71/79/343847179.db2.gz HBNHSTUGMPDLFC-SNVBAGLBSA-N 0 0 195.237 2.177 10 0 AEAERN [NH3+][C@@H](c1ccsc1)[C@@H]1CCCCO1 129263738 343847182 /nfs/dbraw/zinc/84/71/82/343847182.db2.gz OSUIGTGJHFTTIC-UWVGGRQHSA-N 0 0 197.303 2.317 10 0 AEAERN [NH3+][C@@H](c1ccsc1)[C@H]1CCCCO1 129264202 343847184 /nfs/dbraw/zinc/84/71/84/343847184.db2.gz OSUIGTGJHFTTIC-ZJUUUORDSA-N 0 0 197.303 2.317 10 0 AEAERN Cc1cc(F)ccc1O[C@@H](C)[C@H](C)O 129276686 343847630 /nfs/dbraw/zinc/84/76/30/343847630.db2.gz NHIHKDXFVQNIHQ-IUCAKERBSA-N 0 0 198.237 2.282 10 0 AEAERN Cc1cc(F)ccc1O[C@H](C)[C@H](C)O 129276876 343847699 /nfs/dbraw/zinc/84/76/99/343847699.db2.gz NHIHKDXFVQNIHQ-DTWKUNHWSA-N 0 0 198.237 2.282 10 0 AEAERN Cc1cc(F)ccc1O[C@@H](C)[C@@H](C)O 129276287 343847715 /nfs/dbraw/zinc/84/77/15/343847715.db2.gz NHIHKDXFVQNIHQ-BDAKNGLRSA-N 0 0 198.237 2.282 10 0 AEAERN Cc1cc(F)ccc1O[C@H](C)[C@@H](C)O 129276504 343847751 /nfs/dbraw/zinc/84/77/51/343847751.db2.gz NHIHKDXFVQNIHQ-RKDXNWHRSA-N 0 0 198.237 2.282 10 0 AEAERN COC[C@@](C)(O)C1CCCCCC1 129309326 343847936 /nfs/dbraw/zinc/84/79/36/343847936.db2.gz ASZGCFLRHVEDFT-LLVKDONJSA-N 0 0 186.295 2.354 10 0 AEAERN OC1(C2CCCCCC2)CCOCC1 129313852 343848004 /nfs/dbraw/zinc/84/80/04/343848004.db2.gz CVMUQCYXBXFURR-UHFFFAOYSA-N 0 0 198.306 2.498 10 0 AEAERN COC[C@](C)(O)C1CCCCCC1 129309543 343848034 /nfs/dbraw/zinc/84/80/34/343848034.db2.gz ASZGCFLRHVEDFT-NSHDSACASA-N 0 0 186.295 2.354 10 0 AEAERN Cc1cc(F)cc2cc(CO)oc12 129332459 343848038 /nfs/dbraw/zinc/84/80/38/343848038.db2.gz LDDMCGWOZRHYAX-UHFFFAOYSA-N 0 0 180.178 2.373 10 0 AEAERN Cc1cc(F)ccc1OC1CC(O)C1 129343761 343848529 /nfs/dbraw/zinc/84/85/29/343848529.db2.gz ZZUQHIPHDPXINS-UHFFFAOYSA-N 0 0 196.221 2.036 10 0 AEAERN O[C@@]1(C2CCCCCC2)CCCOC1 129350324 343848549 /nfs/dbraw/zinc/84/85/49/343848549.db2.gz TWPGVMPTQDBPGR-LBPRGKRZSA-N 0 0 198.306 2.498 10 0 AEAERN Cc1cc(F)cc2c1OCCC[C@@H]2O 129341830 343848793 /nfs/dbraw/zinc/84/87/93/343848793.db2.gz WAOARXCMQPOQRT-JTQLQIEISA-N 0 0 196.221 2.340 10 0 AEAERN O[C@]1(C2CCCCCC2)CCCOC1 129350559 343848832 /nfs/dbraw/zinc/84/88/32/343848832.db2.gz TWPGVMPTQDBPGR-GFCCVEGCSA-N 0 0 198.306 2.498 10 0 AEAERN Cc1cc(F)ccc1OC1CC(=O)C1 129343583 343848916 /nfs/dbraw/zinc/84/89/16/343848916.db2.gz HLEDXSIGJNYRTG-UHFFFAOYSA-N 0 0 194.205 2.244 10 0 AEAERN Cc1cc(F)cc2c1OCCC[C@H]2O 129342044 343848931 /nfs/dbraw/zinc/84/89/31/343848931.db2.gz WAOARXCMQPOQRT-SNVBAGLBSA-N 0 0 196.221 2.340 10 0 AEAERN Cc1ccc2c(c1)[C@@](O)(C(F)F)CC2 129403557 343849162 /nfs/dbraw/zinc/84/91/62/343849162.db2.gz LNWVAUWZVVMVND-LLVKDONJSA-N 0 0 198.212 2.394 10 0 AEAERN Cc1ccc2c(c1)[C@](O)(C(F)F)CC2 129403327 343849308 /nfs/dbraw/zinc/84/93/08/343849308.db2.gz LNWVAUWZVVMVND-NSHDSACASA-N 0 0 198.212 2.394 10 0 AEAERN C[C@@H]1OCC[C@@]1(O)C1CCCCCC1 129432804 343849923 /nfs/dbraw/zinc/84/99/23/343849923.db2.gz JRNUXGURXPOJSD-JQWIXIFHSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@H]1OCC[C@@]1(O)C1CCCCCC1 129432617 343849963 /nfs/dbraw/zinc/84/99/63/343849963.db2.gz JRNUXGURXPOJSD-PWSUYJOCSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@@H]1OCC[C@]1(O)C1CCCCCC1 129433226 343850076 /nfs/dbraw/zinc/85/00/76/343850076.db2.gz JRNUXGURXPOJSD-CMPLNLGQSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@H]1OCC[C@]1(O)C1CCCCCC1 129433002 343850109 /nfs/dbraw/zinc/85/01/09/343850109.db2.gz JRNUXGURXPOJSD-ZYHUDNBSSA-N 0 0 198.306 2.497 10 0 AEAERN CCCn1ncc2cccc(N)c21 129452574 343850433 /nfs/dbraw/zinc/85/04/33/343850433.db2.gz MIEAOXKMHPOXKS-UHFFFAOYSA-N 0 0 175.235 2.029 10 0 AEAERN Cc1ccc2c(c1)[C@](N)(C(F)F)CC2 129452509 343850423 /nfs/dbraw/zinc/85/04/23/343850423.db2.gz IABPPHKGWGSPIF-NSHDSACASA-N 0 0 197.228 2.360 10 0 AEAERN CCCn1cc2cccc(N)c2n1 129458061 343850429 /nfs/dbraw/zinc/85/04/29/343850429.db2.gz UXVXYKUOFNYLPU-UHFFFAOYSA-N 0 0 175.235 2.029 10 0 AEAERN Cc1nc2c(C)cnn2c(Cl)c1C 129461746 343850432 /nfs/dbraw/zinc/85/04/32/343850432.db2.gz OPRFJABNTKYGIE-UHFFFAOYSA-N 0 0 195.653 2.308 10 0 AEAERN CC(C)n1ncc2cccc(N)c21 129452793 343850488 /nfs/dbraw/zinc/85/04/88/343850488.db2.gz WELHUBOYCHBRPV-UHFFFAOYSA-N 0 0 175.235 2.199 10 0 AEAERN Cc1ccc2c(c1)[C@@](N)(C(F)F)CC2 129452731 343850646 /nfs/dbraw/zinc/85/06/46/343850646.db2.gz IABPPHKGWGSPIF-LLVKDONJSA-N 0 0 197.228 2.360 10 0 AEAERN CCCn1cc2c(N)cccc2n1 129457391 343850703 /nfs/dbraw/zinc/85/07/03/343850703.db2.gz FHHOBRSBHACIET-UHFFFAOYSA-N 0 0 175.235 2.029 10 0 AEAERN CCCn1cc2cc(N)ccc2n1 129458454 343850787 /nfs/dbraw/zinc/85/07/87/343850787.db2.gz WBUFGEIYLCOWQZ-UHFFFAOYSA-N 0 0 175.235 2.029 10 0 AEAERN CO[C@@H](C)[C@H](O)C1CCCCCC1 129490191 343851100 /nfs/dbraw/zinc/85/11/00/343851100.db2.gz DXYKPMZSGPMMOP-ONGXEEELSA-N 0 0 186.295 2.353 10 0 AEAERN Cc1ccc2c(c1)[C@@H]([C@@H](C)O)CC2 129482509 343851123 /nfs/dbraw/zinc/85/11/23/343851123.db2.gz VKHXOQAPWZDACZ-MWLCHTKSSA-N 0 0 176.259 2.406 10 0 AEAERN CO[C@H](C)[C@H](O)C1CCCCCC1 129490389 343851132 /nfs/dbraw/zinc/85/11/32/343851132.db2.gz DXYKPMZSGPMMOP-KOLCDFICSA-N 0 0 186.295 2.353 10 0 AEAERN Cc1ccc2c(c1)[C@H]([C@@H](C)O)CC2 129482293 343851154 /nfs/dbraw/zinc/85/11/54/343851154.db2.gz VKHXOQAPWZDACZ-KOLCDFICSA-N 0 0 176.259 2.406 10 0 AEAERN Cc1ccc2c(c1)[C@H]([C@H](C)O)CC2 129482723 343851474 /nfs/dbraw/zinc/85/14/74/343851474.db2.gz VKHXOQAPWZDACZ-ONGXEEELSA-N 0 0 176.259 2.406 10 0 AEAERN CO[C@@H](C)[C@@H](O)C1CCCCCC1 129490620 343851522 /nfs/dbraw/zinc/85/15/22/343851522.db2.gz DXYKPMZSGPMMOP-GXSJLCMTSA-N 0 0 186.295 2.353 10 0 AEAERN Cc1ccc2c(c1)[C@@H]([C@H](C)O)CC2 129482914 343851541 /nfs/dbraw/zinc/85/15/41/343851541.db2.gz VKHXOQAPWZDACZ-GXSJLCMTSA-N 0 0 176.259 2.406 10 0 AEAERN CCCNc1cc(CC)c(C)nn1 129514943 343851735 /nfs/dbraw/zinc/85/17/35/343851735.db2.gz YZKBERSZYLDFIX-UHFFFAOYSA-N 0 0 179.267 2.169 10 0 AEAERN CCc1c(NCC(C)C)n[nH]c1C 129520736 343851766 /nfs/dbraw/zinc/85/17/66/343851766.db2.gz JJPMFLSNNIZOOM-UHFFFAOYSA-N 0 0 181.283 2.348 10 0 AEAERN CCc1c(NC(C)C)n[nH]c1C 129520031 343851781 /nfs/dbraw/zinc/85/17/81/343851781.db2.gz CUFIYFRDOWSGGB-UHFFFAOYSA-N 0 0 167.256 2.101 10 0 AEAERN CCc1c(NC(C)(C)C)n[nH]c1C 129520491 343851813 /nfs/dbraw/zinc/85/18/13/343851813.db2.gz CBYATOKSNSOKIS-UHFFFAOYSA-N 0 0 181.283 2.491 10 0 AEAERN O[C@H](c1ncc[nH]1)C1CCCCCC1 129495589 343851857 /nfs/dbraw/zinc/85/18/57/343851857.db2.gz XBFFWWWCEONAJN-JTQLQIEISA-N 0 0 194.278 2.414 10 0 AEAERN CCCNc1n[nH]c(C)c1CC 129519810 343852064 /nfs/dbraw/zinc/85/20/64/343852064.db2.gz ZCQFKOFCWRMMSK-UHFFFAOYSA-N 0 0 167.256 2.102 10 0 AEAERN CO[C@H](C)[C@@H](O)C1CCCCCC1 129490827 343852083 /nfs/dbraw/zinc/85/20/83/343852083.db2.gz DXYKPMZSGPMMOP-MWLCHTKSSA-N 0 0 186.295 2.353 10 0 AEAERN O[C@@H](c1ncc[nH]1)C1CCCCCC1 129495357 343852155 /nfs/dbraw/zinc/85/21/55/343852155.db2.gz XBFFWWWCEONAJN-SNVBAGLBSA-N 0 0 194.278 2.414 10 0 AEAERN COc1cccc(N(C)C(C)C)c1N 129554258 343852541 /nfs/dbraw/zinc/85/25/41/343852541.db2.gz CRLHXKWKXDHOQL-UHFFFAOYSA-N 0 0 194.278 2.122 10 0 AEAERN CCNc1cccc(OCC)c1N 129563047 343853023 /nfs/dbraw/zinc/85/30/23/343853023.db2.gz KWRYDANCZPHVDU-UHFFFAOYSA-N 0 0 180.251 2.099 10 0 AEAERN CCCNc1cccc(OC)c1N 129557792 343853053 /nfs/dbraw/zinc/85/30/53/343853053.db2.gz ITLDUNLACUCMIZ-UHFFFAOYSA-N 0 0 180.251 2.099 10 0 AEAERN COc1cccc(NC(C)C)c1N 129558214 343853056 /nfs/dbraw/zinc/85/30/56/343853056.db2.gz DUYGGHYLCCFXFG-UHFFFAOYSA-N 0 0 180.251 2.098 10 0 AEAERN COc1cccc(NC(C)(C)C)c1N 129571116 343853065 /nfs/dbraw/zinc/85/30/65/343853065.db2.gz HNSZNMPOENNESF-UHFFFAOYSA-N 0 0 194.278 2.488 10 0 AEAERN CC[C@@H](C)Nc1cccc(OC)c1N 129559400 343853081 /nfs/dbraw/zinc/85/30/81/343853081.db2.gz HWIIBHUWXJEEEE-MRVPVSSYSA-N 0 0 194.278 2.488 10 0 AEAERN COc1cccc(NCC2CC2)c1N 129563789 343853104 /nfs/dbraw/zinc/85/31/04/343853104.db2.gz NWHSRBDRDLESAQ-UHFFFAOYSA-N 0 0 192.262 2.099 10 0 AEAERN CCOc1cccc(NC2CC2)c1N 129560569 343853178 /nfs/dbraw/zinc/85/31/78/343853178.db2.gz HLCFLSNKFVKTBV-UHFFFAOYSA-N 0 0 192.262 2.242 10 0 AEAERN COc1cccc(NCC(C)C)c1N 129560799 343853180 /nfs/dbraw/zinc/85/31/80/343853180.db2.gz CLGLUGYSXOJGFC-UHFFFAOYSA-N 0 0 194.278 2.345 10 0 AEAERN COc1ccc(O)c(C2CC2)c1 129562719 343853181 /nfs/dbraw/zinc/85/31/81/343853181.db2.gz NTBZJCOTPZMNKI-UHFFFAOYSA-N 0 0 164.204 2.278 10 0 AEAERN CSCC[C@@H]1CCCCC1=O 129592919 343853650 /nfs/dbraw/zinc/85/36/50/343853650.db2.gz RNJSWGKWPCSLBQ-QMMMGPOBSA-N 0 0 172.293 2.499 10 0 AEAERN COc1cccc(N[C@@H]2C[C@H]2C)c1N 129611582 343853700 /nfs/dbraw/zinc/85/37/00/343853700.db2.gz ZOVUKMUPYASEHK-VXNVDRBHSA-N 0 0 192.262 2.098 10 0 AEAERN COc1cccc(N[C@@H]2C[C@@H]2C)c1N 129611773 343853713 /nfs/dbraw/zinc/85/37/13/343853713.db2.gz ZOVUKMUPYASEHK-IONNQARKSA-N 0 0 192.262 2.098 10 0 AEAERN Cc1[nH]c([C@@H](O)C(F)F)c(C)c1C 129623884 343854197 /nfs/dbraw/zinc/85/41/97/343854197.db2.gz FOUPRYSTYWUZLR-MRVPVSSYSA-N 0 0 189.205 2.238 10 0 AEAERN FC(F)(Cl)c1nc(Cl)no1 129641179 343854208 /nfs/dbraw/zinc/85/42/08/343854208.db2.gz XCQUGQCZUMTXGC-UHFFFAOYSA-N 0 0 188.948 2.011 10 0 AEAERN Cc1[nH]c([C@H](O)C(F)F)c(C)c1C 129623653 343854212 /nfs/dbraw/zinc/85/42/12/343854212.db2.gz FOUPRYSTYWUZLR-QMMMGPOBSA-N 0 0 189.205 2.238 10 0 AEAERN C[C@H]1CC[C@@H](Nc2ncns2)C1 129682468 343854816 /nfs/dbraw/zinc/85/48/16/343854816.db2.gz CCZWKRUBUBPQRP-NKWVEPMBSA-N 0 0 183.280 2.139 10 0 AEAERN COc1cccc(OC(C)(C)C)c1N 129659562 343854826 /nfs/dbraw/zinc/85/48/26/343854826.db2.gz QRDIKTDHWPUSMO-UHFFFAOYSA-N 0 0 195.262 2.455 10 0 AEAERN C[C@@H]1CC[C@H](Nc2cccnn2)C1 129678340 343854832 /nfs/dbraw/zinc/85/48/32/343854832.db2.gz LIXBYOYRTXLLHL-BDAKNGLRSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@H]1CC[C@@H](Nc2nncs2)C1 129663409 343854838 /nfs/dbraw/zinc/85/48/38/343854838.db2.gz IBUXXCLULSFMRN-NKWVEPMBSA-N 0 0 183.280 2.139 10 0 AEAERN C[C@H]1CC[C@H](Nc2ccncn2)C1 129672426 343854861 /nfs/dbraw/zinc/85/48/61/343854861.db2.gz VDJDLZFPJPQKDL-IUCAKERBSA-N 0 0 177.251 2.077 10 0 AEAERN CC1(C)CC[C@H](N2CN=NC2=S)C1 129722530 343855229 /nfs/dbraw/zinc/85/52/29/343855229.db2.gz MIKSGSLQDWTLRS-ZETCQYMHSA-N 0 0 197.307 2.318 10 0 AEAERN CC1N=NC(=S)N1[C@@H]1CC[C@@H](C)C1 129720795 343855292 /nfs/dbraw/zinc/85/52/92/343855292.db2.gz JWYDQUYMQHXFFS-HTRCEHHLSA-N 0 0 197.307 2.236 10 0 AEAERN Cc1ccc(C=O)c(-c2cncnc2)c1 129708288 343855416 /nfs/dbraw/zinc/85/54/16/343855416.db2.gz XDBCVOAWNYQFBJ-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN CC1N=NC(=S)N1[C@H]1CC[C@H](C)C1 129720591 343855425 /nfs/dbraw/zinc/85/54/25/343855425.db2.gz JWYDQUYMQHXFFS-XPUUQOCRSA-N 0 0 197.307 2.236 10 0 AEAERN CC1(C)CC[C@@H](N2CN=NC2=S)C1 129722719 343855492 /nfs/dbraw/zinc/85/54/92/343855492.db2.gz MIKSGSLQDWTLRS-SSDOTTSWSA-N 0 0 197.307 2.318 10 0 AEAERN CCOc1cccc2c1NCCCN2 129734817 343855868 /nfs/dbraw/zinc/85/58/68/343855868.db2.gz UGTKRDNSBVIEKD-UHFFFAOYSA-N 0 0 192.262 2.313 10 0 AEAERN COc1cccc2c1NCC[C@H](C)N2 129742545 343855909 /nfs/dbraw/zinc/85/59/09/343855909.db2.gz KATYLZVYQFOKMU-QMMMGPOBSA-N 0 0 192.262 2.311 10 0 AEAERN CCCOc1cccc(NC)c1N 129773506 343855912 /nfs/dbraw/zinc/85/59/12/343855912.db2.gz MAKLPEHQWYWPOO-UHFFFAOYSA-N 0 0 180.251 2.099 10 0 AEAERN COc1cccc2c1NCC(C)(C)N2 129747055 343855973 /nfs/dbraw/zinc/85/59/73/343855973.db2.gz CSRFHHNCGZWLQR-UHFFFAOYSA-N 0 0 192.262 2.311 10 0 AEAERN COc1cccc2c1NCC[C@@H](C)N2 129742337 343856013 /nfs/dbraw/zinc/85/60/13/343856013.db2.gz KATYLZVYQFOKMU-MRVPVSSYSA-N 0 0 192.262 2.311 10 0 AEAERN CC[C@H]1CNc2c(cccc2OC)N1 129741628 343856033 /nfs/dbraw/zinc/85/60/33/343856033.db2.gz MBMROBJGPONESV-QMMMGPOBSA-N 0 0 192.262 2.311 10 0 AEAERN CC[C@@H]1CNc2c(cccc2OC)N1 129741410 343856057 /nfs/dbraw/zinc/85/60/57/343856057.db2.gz MBMROBJGPONESV-MRVPVSSYSA-N 0 0 192.262 2.311 10 0 AEAERN Cc1cc(-c2ccoc2)cnc1N 129733935 343856070 /nfs/dbraw/zinc/85/60/70/343856070.db2.gz QNWGAASUYIYVHD-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN COc1cccc2c1NCC1(CC1)N2 129744437 343856098 /nfs/dbraw/zinc/85/60/98/343856098.db2.gz LFJKBZLFQCKKHJ-UHFFFAOYSA-N 0 0 190.246 2.065 10 0 AEAERN CNc1cccc(OC(C)C)c1N 129773727 343856833 /nfs/dbraw/zinc/85/68/33/343856833.db2.gz CVRRPWHETXOGOF-UHFFFAOYSA-N 0 0 180.251 2.098 10 0 AEAERN CC1([C@H](NN)C2CCCCC2)CC1 129890547 343858889 /nfs/dbraw/zinc/85/88/89/343858889.db2.gz SZYXEVIIFDKVHI-SNVBAGLBSA-N 0 0 182.311 2.199 10 0 AEAERN C[C@@H]1CC[C@H](n2cnnc2Cl)C1 129926892 343859260 /nfs/dbraw/zinc/85/92/60/343859260.db2.gz GISPQZSVHXYUOT-RQJHMYQMSA-N 0 0 185.658 2.293 10 0 AEAERN C[C@@H]1CC[C@@H](n2cnnc2Cl)C1 129927313 343859375 /nfs/dbraw/zinc/85/93/75/343859375.db2.gz GISPQZSVHXYUOT-RNFRBKRXSA-N 0 0 185.658 2.293 10 0 AEAERN C[C@H]1CC[C@@H](n2cnnc2Cl)C1 129927533 343859454 /nfs/dbraw/zinc/85/94/54/343859454.db2.gz GISPQZSVHXYUOT-NKWVEPMBSA-N 0 0 185.658 2.293 10 0 AEAERN C[C@H]1CC[C@H](n2cnnc2Cl)C1 129927089 343859548 /nfs/dbraw/zinc/85/95/48/343859548.db2.gz GISPQZSVHXYUOT-BQBZGAKWSA-N 0 0 185.658 2.293 10 0 AEAERN CCCNC(=O)N1CC[C@H](C(C)C)C1 130001734 343859800 /nfs/dbraw/zinc/85/98/00/343859800.db2.gz NSTYCBAEUSNSJF-JTQLQIEISA-N 0 0 198.310 2.084 10 0 AEAERN CCCNC(=O)N1CC[C@@H](C(C)C)C1 130001946 343859935 /nfs/dbraw/zinc/85/99/35/343859935.db2.gz NSTYCBAEUSNSJF-SNVBAGLBSA-N 0 0 198.310 2.084 10 0 AEAERN OCC1(C2CCCC2)CCC1 129987805 343860150 /nfs/dbraw/zinc/86/01/50/343860150.db2.gz JCGTZPCGLVMYPY-UHFFFAOYSA-N 0 0 154.253 2.339 10 0 AEAERN OCC1(C2CCCCC2)CCOCC1 129987366 343860185 /nfs/dbraw/zinc/86/01/85/343860185.db2.gz OYRKYCMWOLJKKG-UHFFFAOYSA-N 0 0 198.306 2.356 10 0 AEAERN CCC(C)(C)n1cncc1[C@@H](C)[NH3+] 130061559 343861118 /nfs/dbraw/zinc/86/11/18/343861118.db2.gz YMLLYPCNIVIDTL-MRVPVSSYSA-N 0 0 181.283 2.048 10 0 AEAERN C[C@H]([NH3+])c1cncn1C1CCCCC1 130063249 343861249 /nfs/dbraw/zinc/86/12/49/343861249.db2.gz KNQSHPMGTAJDFT-VIFPVBQESA-N 0 0 193.294 2.408 10 0 AEAERN C[C@@H]([NH3+])c1cncn1C1CCCCC1 130064174 343861428 /nfs/dbraw/zinc/86/14/28/343861428.db2.gz KNQSHPMGTAJDFT-SECBINFHSA-N 0 0 193.294 2.408 10 0 AEAERN COc1ccc(-c2ncc[nH]2)cc1C 130054582 343861483 /nfs/dbraw/zinc/86/14/83/343861483.db2.gz QIOWOHYOQNULKP-UHFFFAOYSA-N 0 0 188.230 2.394 10 0 AEAERN CC(=O)[C@H](C)Cc1ccoc1 130116573 343862599 /nfs/dbraw/zinc/86/25/99/343862599.db2.gz WYGUTLRSFLTEKU-SSDOTTSWSA-N 0 0 152.193 2.047 10 0 AEAERN O=C1CCC[C@H]1Cc1ccoc1 130117192 343862725 /nfs/dbraw/zinc/86/27/25/343862725.db2.gz LOSZZOZRGBCTKW-VIFPVBQESA-N 0 0 164.204 2.191 10 0 AEAERN O=C1CCC[C@@H]1Cc1ccoc1 130117413 343862744 /nfs/dbraw/zinc/86/27/44/343862744.db2.gz LOSZZOZRGBCTKW-SECBINFHSA-N 0 0 164.204 2.191 10 0 AEAERN CC(=O)[C@@H](C)Cc1ccoc1 130116384 343862756 /nfs/dbraw/zinc/86/27/56/343862756.db2.gz WYGUTLRSFLTEKU-ZETCQYMHSA-N 0 0 152.193 2.047 10 0 AEAERN Nc1c(C=O)ccc(Cl)c1Cl 130196044 343864350 /nfs/dbraw/zinc/86/43/50/343864350.db2.gz ISFRGVMZCHREHP-UHFFFAOYSA-N 0 0 190.029 2.388 10 0 AEAERN CC(C)(C)c1ccc(N)c(C=O)c1 130192060 343864244 /nfs/dbraw/zinc/86/42/44/343864244.db2.gz JWQREVGIIUHQRA-UHFFFAOYSA-N 0 0 177.247 2.379 10 0 AEAERN Cc1cc(Cl)c(N)c(C=O)c1 130195640 343864257 /nfs/dbraw/zinc/86/42/57/343864257.db2.gz UFBOPNIYXWCVOT-UHFFFAOYSA-N 0 0 169.611 2.043 10 0 AEAERN Cc1cc(Cl)cc(N)c1C=O 130193624 343864419 /nfs/dbraw/zinc/86/44/19/343864419.db2.gz ZRIRRRSWBXPHFW-UHFFFAOYSA-N 0 0 169.611 2.043 10 0 AEAERN Cc1ccc(Cl)c(N)c1C=O 130199138 343864559 /nfs/dbraw/zinc/86/45/59/343864559.db2.gz VXIFCRKZHRPMNY-UHFFFAOYSA-N 0 0 169.611 2.043 10 0 AEAERN CC(C)[C@@](C)(O)Cc1ccco1 130251495 343865535 /nfs/dbraw/zinc/86/55/35/343865535.db2.gz JIWLNBURWYKKPB-JTQLQIEISA-N 0 0 168.236 2.229 10 0 AEAERN CC(C)[C@](C)(O)Cc1ccoc1 130250887 343865739 /nfs/dbraw/zinc/86/57/39/343865739.db2.gz 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/nfs/dbraw/zinc/86/82/32/343868232.db2.gz NDOGPGGHIUEXAT-VIFPVBQESA-N 0 0 168.236 2.229 10 0 AEAERN CC(C)(C)[C@H](O)Cc1ccco1 130400098 343868291 /nfs/dbraw/zinc/86/82/91/343868291.db2.gz NDOGPGGHIUEXAT-SECBINFHSA-N 0 0 168.236 2.229 10 0 AEAERN C[C@H]1CC[C@@](O)(Cc2ccoc2)C1 130422075 343868399 /nfs/dbraw/zinc/86/83/99/343868399.db2.gz XJMLMSYJLKUVEG-ONGXEEELSA-N 0 0 180.247 2.373 10 0 AEAERN C[C@@H]1CC[C@](O)(Cc2ccoc2)C1 130421424 343868437 /nfs/dbraw/zinc/86/84/37/343868437.db2.gz XJMLMSYJLKUVEG-MWLCHTKSSA-N 0 0 180.247 2.373 10 0 AEAERN C[C@@H]1CCC[C@@]1(O)Cc1ccoc1 130442472 343868598 /nfs/dbraw/zinc/86/85/98/343868598.db2.gz GOPQQXRMQWTHPC-MWLCHTKSSA-N 0 0 180.247 2.373 10 0 AEAERN C[C@H]1CCC[C@@]1(O)Cc1ccoc1 130442673 343868696 /nfs/dbraw/zinc/86/86/96/343868696.db2.gz GOPQQXRMQWTHPC-GXSJLCMTSA-N 0 0 180.247 2.373 10 0 AEAERN C[C@@H]1CCC[C@]1(O)Cc1ccoc1 130442031 343868633 /nfs/dbraw/zinc/86/86/33/343868633.db2.gz GOPQQXRMQWTHPC-KOLCDFICSA-N 0 0 180.247 2.373 10 0 AEAERN C[C@H]1CC[C@](O)(Cc2ccoc2)C1 130421638 343868701 /nfs/dbraw/zinc/86/87/01/343868701.db2.gz XJMLMSYJLKUVEG-GXSJLCMTSA-N 0 0 180.247 2.373 10 0 AEAERN C[C@@H]1CC[C@@](O)(Cc2ccoc2)C1 130421875 343868742 /nfs/dbraw/zinc/86/87/42/343868742.db2.gz XJMLMSYJLKUVEG-KOLCDFICSA-N 0 0 180.247 2.373 10 0 AEAERN C[C@H]1CCC[C@]1(O)Cc1ccoc1 130442253 343868766 /nfs/dbraw/zinc/86/87/66/343868766.db2.gz GOPQQXRMQWTHPC-ONGXEEELSA-N 0 0 180.247 2.373 10 0 AEAERN CC1([C@@](C)(O)Cc2ccco2)CC1 130501217 343868988 /nfs/dbraw/zinc/86/89/88/343868988.db2.gz IAAZWHCYSRLSQP-NSHDSACASA-N 0 0 180.247 2.373 10 0 AEAERN C[C@H]1C[C@@](O)(Cc2ccoc2)CS1 130484751 343869013 /nfs/dbraw/zinc/86/90/13/343869013.db2.gz XUHDIAMYDINRHP-WCBMZHEXSA-N 0 0 198.287 2.079 10 0 AEAERN C[C@H]1C[C@](O)(Cc2ccoc2)CS1 130484262 343869056 /nfs/dbraw/zinc/86/90/56/343869056.db2.gz XUHDIAMYDINRHP-WPRPVWTQSA-N 0 0 198.287 2.079 10 0 AEAERN CC1([C@](C)(O)Cc2ccco2)CC1 130501014 343869126 /nfs/dbraw/zinc/86/91/26/343869126.db2.gz IAAZWHCYSRLSQP-LLVKDONJSA-N 0 0 180.247 2.373 10 0 AEAERN C[C@@H]1C[C@](O)(Cc2ccoc2)CS1 130484046 343869295 /nfs/dbraw/zinc/86/92/95/343869295.db2.gz XUHDIAMYDINRHP-SCZZXKLOSA-N 0 0 198.287 2.079 10 0 AEAERN C[C@@H]1C[C@@](O)(Cc2ccoc2)CS1 130484525 343869300 /nfs/dbraw/zinc/86/93/00/343869300.db2.gz XUHDIAMYDINRHP-PSASIEDQSA-N 0 0 198.287 2.079 10 0 AEAERN C[C@](O)(Cc1ccco1)c1ccoc1 130536209 343869722 /nfs/dbraw/zinc/86/97/22/343869722.db2.gz PRLYSRYCBDJNKX-NSHDSACASA-N 0 0 192.214 2.323 10 0 AEAERN C[C@@](O)(Cc1ccco1)c1ccoc1 130535967 343869956 /nfs/dbraw/zinc/86/99/56/343869956.db2.gz PRLYSRYCBDJNKX-LLVKDONJSA-N 0 0 192.214 2.323 10 0 AEAERN CC[C@H](O)c1cccc2c1NCC2 130569649 343870294 /nfs/dbraw/zinc/87/02/94/343870294.db2.gz NEVBZYRHAYAHHK-JTQLQIEISA-N 0 0 177.247 2.098 10 0 AEAERN CC(C)[C@H](O)c1cccc2c1NCC2 130568798 343870227 /nfs/dbraw/zinc/87/02/27/343870227.db2.gz NSSCXABFZPDAIA-LBPRGKRZSA-N 0 0 191.274 2.344 10 0 AEAERN CC(C)[C@@H](O)c1cccc2c1NCC2 130568994 343870280 /nfs/dbraw/zinc/87/02/80/343870280.db2.gz NSSCXABFZPDAIA-GFCCVEGCSA-N 0 0 191.274 2.344 10 0 AEAERN O=C(Cc1ccoc1)c1ccccn1 130578519 343870309 /nfs/dbraw/zinc/87/03/09/343870309.db2.gz FHYOFGIFPNPVBO-UHFFFAOYSA-N 0 0 187.198 2.100 10 0 AEAERN O=C(Cc1ccoc1)c1cccnc1 130578982 343870335 /nfs/dbraw/zinc/87/03/35/343870335.db2.gz NQZZVCWYRWMDKI-UHFFFAOYSA-N 0 0 187.198 2.100 10 0 AEAERN CC(C)(C)C(=O)Cc1ccco1 130588426 343870340 /nfs/dbraw/zinc/87/03/40/343870340.db2.gz ISAHQSQJXQKDHQ-UHFFFAOYSA-N 0 0 166.220 2.437 10 0 AEAERN O[C@H](c1cccc2c1NCC2)C1CC1 130565559 343870347 /nfs/dbraw/zinc/87/03/47/343870347.db2.gz DOEUCUICUVYBBA-LBPRGKRZSA-N 0 0 189.258 2.098 10 0 AEAERN C=Cc1cccc2c1NCC2 130578446 343870370 /nfs/dbraw/zinc/87/03/70/343870370.db2.gz YVECCDXBAIOMKK-UHFFFAOYSA-N 0 0 145.205 2.298 10 0 AEAERN O=C(Cc1ccco1)c1ccncc1 130579637 343870391 /nfs/dbraw/zinc/87/03/91/343870391.db2.gz QGQOGWFFBZBNFD-UHFFFAOYSA-N 0 0 187.198 2.100 10 0 AEAERN CC[C@@H](O)c1cccc2c1NCC2 130569884 343870395 /nfs/dbraw/zinc/87/03/95/343870395.db2.gz NEVBZYRHAYAHHK-SNVBAGLBSA-N 0 0 177.247 2.098 10 0 AEAERN O[C@@H](c1cccc2c1NCC2)C1CC1 130565324 343870423 /nfs/dbraw/zinc/87/04/23/343870423.db2.gz DOEUCUICUVYBBA-GFCCVEGCSA-N 0 0 189.258 2.098 10 0 AEAERN O=C(Cc1ccco1)c1ccccn1 130578735 343870432 /nfs/dbraw/zinc/87/04/32/343870432.db2.gz MNLZFONGASYWLR-UHFFFAOYSA-N 0 0 187.198 2.100 10 0 AEAERN CC(C)C(=O)Cc1ccoc1 130583980 343870456 /nfs/dbraw/zinc/87/04/56/343870456.db2.gz DGFRYSADFUPFSX-UHFFFAOYSA-N 0 0 152.193 2.047 10 0 AEAERN O=C(Cc1ccco1)c1ccoc1 130617055 343870750 /nfs/dbraw/zinc/87/07/50/343870750.db2.gz WWKXHJXYGRUQRG-UHFFFAOYSA-N 0 0 176.171 2.298 10 0 AEAERN COC[C@@H](F)c1cccc2c1NCC2 130595286 343870832 /nfs/dbraw/zinc/87/08/32/343870832.db2.gz JNBXIEQVKPLMOX-SNVBAGLBSA-N 0 0 195.237 2.312 10 0 AEAERN O=C(Cc1ccoc1)C1CCC1 130622817 343871428 /nfs/dbraw/zinc/87/14/28/343871428.db2.gz KKXGXSNZZCBDDX-UHFFFAOYSA-N 0 0 164.204 2.191 10 0 AEAERN O=C(Cc1ccoc1)[C@H]1CCCS1 130687999 343872637 /nfs/dbraw/zinc/87/26/37/343872637.db2.gz XAOMGEPHKWHNNB-SNVBAGLBSA-N 0 0 196.271 2.287 10 0 AEAERN CC1(C(=O)Cc2ccoc2)CC1 130685186 343872612 /nfs/dbraw/zinc/87/26/12/343872612.db2.gz SXQFWVJQWNMZDH-UHFFFAOYSA-N 0 0 164.204 2.191 10 0 AEAERN O=C(Cc1ccco1)[C@@H]1CCCS1 130688210 343872655 /nfs/dbraw/zinc/87/26/55/343872655.db2.gz NJLJAMFTNRECQL-JTQLQIEISA-N 0 0 196.271 2.287 10 0 AEAERN O=C(Cc1ccoc1)c1cncs1 130685626 343872723 /nfs/dbraw/zinc/87/27/23/343872723.db2.gz SJNQIIMKOWJNNM-UHFFFAOYSA-N 0 0 193.227 2.162 10 0 AEAERN CC1(C(=O)Cc2ccco2)CC1 130685410 343872738 /nfs/dbraw/zinc/87/27/38/343872738.db2.gz BGJKHUOUDFAEMU-UHFFFAOYSA-N 0 0 164.204 2.191 10 0 AEAERN O=C(Cc1ccco1)c1cscn1 130686726 343872772 /nfs/dbraw/zinc/87/27/72/343872772.db2.gz ATWIPHDTKFBIKA-UHFFFAOYSA-N 0 0 193.227 2.162 10 0 AEAERN O=C(Cc1ccoc1)[C@@H]1CCCS1 130687797 343872815 /nfs/dbraw/zinc/87/28/15/343872815.db2.gz XAOMGEPHKWHNNB-JTQLQIEISA-N 0 0 196.271 2.287 10 0 AEAERN O=C(Cc1ccco1)[C@H]1CCCS1 130688447 343872833 /nfs/dbraw/zinc/87/28/33/343872833.db2.gz NJLJAMFTNRECQL-SNVBAGLBSA-N 0 0 196.271 2.287 10 0 AEAERN O=C(Cc1ccco1)c1cncs1 130685899 343872844 /nfs/dbraw/zinc/87/28/44/343872844.db2.gz VABKXKKUZDPFBO-UHFFFAOYSA-N 0 0 193.227 2.162 10 0 AEAERN Cc1cn(Cc2ccoc2)c(=S)[nH]1 130849147 343876536 /nfs/dbraw/zinc/87/65/36/343876536.db2.gz QXTAJHNTBHISQY-UHFFFAOYSA-N 0 0 194.259 2.122 10 0 AEAERN Cc1c[nH]c(=S)n1Cc1ccoc1 130848678 343876540 /nfs/dbraw/zinc/87/65/40/343876540.db2.gz JZYRDIRWONMVQQ-UHFFFAOYSA-N 0 0 194.259 2.122 10 0 AEAERN O[C@H](Cc1ccoc1)[C@H]1CCCS1 130869456 343877102 /nfs/dbraw/zinc/87/71/02/343877102.db2.gz DXVFQIJUFFCISJ-NXEZZACHSA-N 0 0 198.287 2.079 10 0 AEAERN O[C@@H](Cc1ccoc1)[C@@H]1CCCS1 130868755 343877175 /nfs/dbraw/zinc/87/71/75/343877175.db2.gz DXVFQIJUFFCISJ-UWVGGRQHSA-N 0 0 198.287 2.079 10 0 AEAERN O[C@@H](Cc1ccoc1)[C@H]1CCCS1 130869213 343877244 /nfs/dbraw/zinc/87/72/44/343877244.db2.gz DXVFQIJUFFCISJ-VHSXEESVSA-N 0 0 198.287 2.079 10 0 AEAERN NNc1ccc(C2CCC2)cc1 130968062 343878078 /nfs/dbraw/zinc/87/80/78/343878078.db2.gz PATMHPUEMQQIRD-UHFFFAOYSA-N 0 0 162.236 2.240 10 0 AEAERN CC(C)Cc1cccc(NN)c1 130975833 343878197 /nfs/dbraw/zinc/87/81/97/343878197.db2.gz XKOSPZULKDQKAZ-UHFFFAOYSA-N 0 0 164.252 2.171 10 0 AEAERN C[C@H]1C[C@H](O)c2cc(F)ccc2O1 130991140 343878545 /nfs/dbraw/zinc/87/85/45/343878545.db2.gz QVIDVBCWZVZERR-RCOVLWMOSA-N 0 0 182.194 2.030 10 0 AEAERN CC[C@@H]1C[C@H](O)c2cc(F)ccc2O1 130990082 343878685 /nfs/dbraw/zinc/87/86/85/343878685.db2.gz AXDKNYQCYXQWEU-SCZZXKLOSA-N 0 0 196.221 2.420 10 0 AEAERN C[C@@H]1C[C@H](O)c2cc(F)ccc2O1 130990935 343878706 /nfs/dbraw/zinc/87/87/06/343878706.db2.gz QVIDVBCWZVZERR-MUWHJKNJSA-N 0 0 182.194 2.030 10 0 AEAERN C[C@@H]1C[C@@H](O)c2cc(F)ccc2O1 130991337 343878836 /nfs/dbraw/zinc/87/88/36/343878836.db2.gz QVIDVBCWZVZERR-HZGVNTEJSA-N 0 0 182.194 2.030 10 0 AEAERN CCC1(NC(=O)NC(C)(C)C)CCC1 131022590 343878848 /nfs/dbraw/zinc/87/88/48/343878848.db2.gz CWIIVFPGMIBVLI-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/87/92/10/343879210.db2.gz DCJVFVZUJBNOPT-WPRPVWTQSA-N 0 0 178.231 2.199 10 0 AEAERN C[C@H]1C[C@H]1CNc1ccnc(Cl)n1 131061144 343879293 /nfs/dbraw/zinc/87/92/93/343879293.db2.gz WEZKRUSUNLABLT-BQBZGAKWSA-N 0 0 197.669 2.198 10 0 AEAERN C[C@@H]1C[C@H]1CNc1ccnc(Cl)n1 131060950 343879488 /nfs/dbraw/zinc/87/94/88/343879488.db2.gz WEZKRUSUNLABLT-RQJHMYQMSA-N 0 0 197.669 2.198 10 0 AEAERN COc1nc2c(C)cc(C)cc2[nH]1 131120524 343879806 /nfs/dbraw/zinc/87/98/06/343879806.db2.gz FRUADEBTVVMGIC-UHFFFAOYSA-N 0 0 176.219 2.188 10 0 AEAERN CC1CC(Nc2ccnc(Cl)n2)C1 131085476 343879767 /nfs/dbraw/zinc/87/97/67/343879767.db2.gz MISBMRLLQRXPIF-UHFFFAOYSA-N 0 0 197.669 2.340 10 0 AEAERN C1=CCC(Nc2ccccn2)C1 131102569 343879972 /nfs/dbraw/zinc/87/99/72/343879972.db2.gz HOLFVIVLBVFCPS-UHFFFAOYSA-N 0 0 160.220 2.212 10 0 AEAERN CN(c1ccnc(Cl)n1)C1CCC1 131081478 343880161 /nfs/dbraw/zinc/88/01/61/343880161.db2.gz QGQDQSLHXZXOSZ-UHFFFAOYSA-N 0 0 197.669 2.119 10 0 AEAERN COc1nc2c([nH]1)[C@@H](C)C[C@H](C)C2 131129788 343880318 /nfs/dbraw/zinc/88/03/18/343880318.db2.gz APJSBFIGXZHUDH-BQBZGAKWSA-N 0 0 180.251 2.104 10 0 AEAERN O=C(c1ccoc1)c1ncccc1F 131147200 343880394 /nfs/dbraw/zinc/88/03/94/343880394.db2.gz CQXMHHXKLKLFDB-UHFFFAOYSA-N 0 0 191.161 2.045 10 0 AEAERN COc1nc2c([nH]1)[C@H](C)C[C@@H](C)C2 131129585 343880449 /nfs/dbraw/zinc/88/04/49/343880449.db2.gz APJSBFIGXZHUDH-RNFRBKRXSA-N 0 0 180.251 2.104 10 0 AEAERN COc1nc2c([nH]1)[C@H](C)C[C@H](C)C2 131129368 343880484 /nfs/dbraw/zinc/88/04/84/343880484.db2.gz APJSBFIGXZHUDH-NKWVEPMBSA-N 0 0 180.251 2.104 10 0 AEAERN C[C@@H]1Cc2nc[nH]c2[C@H](C)C1 131143831 343880626 /nfs/dbraw/zinc/88/06/26/343880626.db2.gz WENBHQGOVIMCBA-NKWVEPMBSA-N 0 0 150.225 2.096 10 0 AEAERN C[C@H]1C[C@@H](C)Cc2nc[nH]c21 131144477 343880668 /nfs/dbraw/zinc/88/06/68/343880668.db2.gz WENBHQGOVIMCBA-RQJHMYQMSA-N 0 0 150.225 2.096 10 0 AEAERN C[C@H]1Cc2nc[nH]c2[C@H](C)C1 131144050 343880700 /nfs/dbraw/zinc/88/07/00/343880700.db2.gz WENBHQGOVIMCBA-RNFRBKRXSA-N 0 0 150.225 2.096 10 0 AEAERN O=C(c1ccco1)c1ncccc1F 131155318 343880732 /nfs/dbraw/zinc/88/07/32/343880732.db2.gz CBHIMYAAXHVRLL-UHFFFAOYSA-N 0 0 191.161 2.045 10 0 AEAERN CN1Cc2cc(Cl)ccc2NC1=O 131136581 343880786 /nfs/dbraw/zinc/88/07/86/343880786.db2.gz XPYGRPKJPWSLCO-UHFFFAOYSA-N 0 0 196.637 2.317 10 0 AEAERN C[C@@H]1Cc2nc[nH]c2[C@@H](C)C1 131144247 343880801 /nfs/dbraw/zinc/88/08/01/343880801.db2.gz WENBHQGOVIMCBA-BQBZGAKWSA-N 0 0 150.225 2.096 10 0 AEAERN COc1nc2c([nH]1)[C@@H](C)C[C@@H](C)C2 131129965 343880854 /nfs/dbraw/zinc/88/08/54/343880854.db2.gz APJSBFIGXZHUDH-RQJHMYQMSA-N 0 0 180.251 2.104 10 0 AEAERN C[C@H](O)COC1C[C@@H](C)C[C@H](C)C1 131195476 343881597 /nfs/dbraw/zinc/88/15/97/343881597.db2.gz ZGYGSNPALUEIGX-GUBZILKMSA-N 0 0 186.295 2.209 10 0 AEAERN C[C@H](O)COC1C[C@H](C)C[C@@H](C)C1 131195681 343881703 /nfs/dbraw/zinc/88/17/03/343881703.db2.gz ZGYGSNPALUEIGX-BBBLOLIVSA-N 0 0 186.295 2.209 10 0 AEAERN O[C@@H](CC1CCC1)c1ncccc1F 131208443 343881951 /nfs/dbraw/zinc/88/19/51/343881951.db2.gz AYFIQJPNRFPFCG-JTQLQIEISA-N 0 0 195.237 2.444 10 0 AEAERN C[C@H](O)[C@H](C)O[C@H]1CCC[C@@H](C)C1 131225711 343881964 /nfs/dbraw/zinc/88/19/64/343881964.db2.gz KXERYPHNVLTZGX-RCWTZXSCSA-N 0 0 186.295 2.351 10 0 AEAERN O[C@H](CC1CCC1)c1ncccc1F 131208267 343882113 /nfs/dbraw/zinc/88/21/13/343882113.db2.gz AYFIQJPNRFPFCG-SNVBAGLBSA-N 0 0 195.237 2.444 10 0 AEAERN [NH3+][C@H](Cc1ccoc1)c1ccoc1 131232259 343882195 /nfs/dbraw/zinc/88/21/95/343882195.db2.gz PYRQJTWCIZUFPU-SNVBAGLBSA-N 0 0 177.203 2.115 10 0 AEAERN [NH3+][C@@H](Cc1ccoc1)c1ccoc1 131232053 343882262 /nfs/dbraw/zinc/88/22/62/343882262.db2.gz PYRQJTWCIZUFPU-JTQLQIEISA-N 0 0 177.203 2.115 10 0 AEAERN C[C@H](O)[C@H](C)O[C@@H]1CCC[C@@H](C)C1 131226160 343882446 /nfs/dbraw/zinc/88/24/46/343882446.db2.gz KXERYPHNVLTZGX-VPOLOUISSA-N 0 0 186.295 2.351 10 0 AEAERN Cc1cc(O[C@H](C)[C@@H](C)O)ccc1F 131234767 343882639 /nfs/dbraw/zinc/88/26/39/343882639.db2.gz SEMZURIZXNQWDK-RKDXNWHRSA-N 0 0 198.237 2.282 10 0 AEAERN Cc1cc(O[C@@H](C)[C@H](C)O)ccc1F 131234995 343882662 /nfs/dbraw/zinc/88/26/62/343882662.db2.gz SEMZURIZXNQWDK-IUCAKERBSA-N 0 0 198.237 2.282 10 0 AEAERN CC[C@@H]1Oc2ccccc2[C@H]1NOC 131260163 343882688 /nfs/dbraw/zinc/88/26/88/343882688.db2.gz HPZQTGXXWLCOOA-GXSJLCMTSA-N 0 0 193.246 2.050 10 0 AEAERN CC[C@H]1Oc2ccccc2[C@@H]1NOC 131260381 343882744 /nfs/dbraw/zinc/88/27/44/343882744.db2.gz HPZQTGXXWLCOOA-KOLCDFICSA-N 0 0 193.246 2.050 10 0 AEAERN CC[C@@H](C)[C@@H](O)c1ncccc1F 131264379 343882865 /nfs/dbraw/zinc/88/28/65/343882865.db2.gz ZKZBIZCWGAWMOS-GMSGAONNSA-N 0 0 183.226 2.300 10 0 AEAERN CC[C@H](C)[C@H](O)c1ncccc1F 131264185 343882868 /nfs/dbraw/zinc/88/28/68/343882868.db2.gz ZKZBIZCWGAWMOS-XVKPBYJWSA-N 0 0 183.226 2.300 10 0 AEAERN CC[C@H](C)[C@@H](O)c1ncccc1F 131264571 343882913 /nfs/dbraw/zinc/88/29/13/343882913.db2.gz ZKZBIZCWGAWMOS-OIBJUYFYSA-N 0 0 183.226 2.300 10 0 AEAERN Cc1cc(O[C@@H](C)[C@@H](C)O)ccc1F 131234536 343882927 /nfs/dbraw/zinc/88/29/27/343882927.db2.gz SEMZURIZXNQWDK-BDAKNGLRSA-N 0 0 198.237 2.282 10 0 AEAERN CC[C@@H]1Oc2ccccc2[C@@H]1NOC 131260570 343882966 /nfs/dbraw/zinc/88/29/66/343882966.db2.gz HPZQTGXXWLCOOA-ONGXEEELSA-N 0 0 193.246 2.050 10 0 AEAERN Cc1cc(O[C@H](C)[C@H](C)O)ccc1F 131235197 343883014 /nfs/dbraw/zinc/88/30/14/343883014.db2.gz SEMZURIZXNQWDK-DTWKUNHWSA-N 0 0 198.237 2.282 10 0 AEAERN CC[C@H]1Oc2ccccc2[C@H]1NOC 131259979 343883033 /nfs/dbraw/zinc/88/30/33/343883033.db2.gz HPZQTGXXWLCOOA-MWLCHTKSSA-N 0 0 193.246 2.050 10 0 AEAERN CC(C)(C)[C@H](O)c1ncccc1F 131273676 343883180 /nfs/dbraw/zinc/88/31/80/343883180.db2.gz WTSBXBHVIIQXRR-SECBINFHSA-N 0 0 183.226 2.300 10 0 AEAERN O[C@@H](c1ncccc1F)C1CCCC1 131271564 343883229 /nfs/dbraw/zinc/88/32/29/343883229.db2.gz TUBDYECPTHPHOQ-LLVKDONJSA-N 0 0 195.237 2.444 10 0 AEAERN [NH3+][C@H](c1ncccc1F)C1CCCC1 131299657 343883461 /nfs/dbraw/zinc/88/34/61/343883461.db2.gz BFYZUIDBPVWIEF-JTQLQIEISA-N 0 0 194.253 2.411 10 0 AEAERN CC(C)(C)[C@@H](O)c1ncccc1F 131273883 343883552 /nfs/dbraw/zinc/88/35/52/343883552.db2.gz WTSBXBHVIIQXRR-VIFPVBQESA-N 0 0 183.226 2.300 10 0 AEAERN [NH3+][C@@H](c1ncccc1F)C1CCCC1 131299452 343883559 /nfs/dbraw/zinc/88/35/59/343883559.db2.gz BFYZUIDBPVWIEF-SNVBAGLBSA-N 0 0 194.253 2.411 10 0 AEAERN CO[C@@H](c1nccc(Cl)n1)C1CC1 131504213 343885628 /nfs/dbraw/zinc/88/56/28/343885628.db2.gz UNFFKIVQRKGMDY-MRVPVSSYSA-N 0 0 198.653 2.228 10 0 AEAERN CN[C@H](C=C(C)C)c1ncccc1F 131475194 343885680 /nfs/dbraw/zinc/88/56/80/343885680.db2.gz ZARADJPDXZVDED-SNVBAGLBSA-N 0 0 194.253 2.447 10 0 AEAERN CNCC(F)(F)c1ccc(F)cc1 131765538 343888100 /nfs/dbraw/zinc/88/81/00/343888100.db2.gz NHWFWIVWFPUPDU-UHFFFAOYSA-N 0 0 189.180 2.137 10 0 AEAERN CC(C)(C)SC(F)(F)CN 131747432 343888109 /nfs/dbraw/zinc/88/81/09/343888109.db2.gz KWILUDWGGHSSFL-UHFFFAOYSA-N 0 0 169.240 2.070 10 0 AEAERN NCC(F)(F)c1ccccc1Cl 131745017 343888144 /nfs/dbraw/zinc/88/81/44/343888144.db2.gz YILRUAGZLQVEDJ-UHFFFAOYSA-N 0 0 191.608 2.391 10 0 AEAERN Cc1ccc(C(F)(F)CN)cc1C 131745919 343888148 /nfs/dbraw/zinc/88/81/48/343888148.db2.gz FHUWUASBMOAPEY-UHFFFAOYSA-N 0 0 185.217 2.354 10 0 AEAERN Cc1cc(C)cc(C(F)(F)CN)c1 131744778 343888156 /nfs/dbraw/zinc/88/81/56/343888156.db2.gz UOOFBGSTTQBBRC-UHFFFAOYSA-N 0 0 185.217 2.354 10 0 AEAERN NCC(F)(F)SC1CCCC1 131748325 343888269 /nfs/dbraw/zinc/88/82/69/343888269.db2.gz LHHNKQISDWXNOK-UHFFFAOYSA-N 0 0 181.251 2.214 10 0 AEAERN CNCC(F)(F)c1ccccc1C 131756813 343888443 /nfs/dbraw/zinc/88/84/43/343888443.db2.gz ZKQHOQWAJLTKLD-UHFFFAOYSA-N 0 0 185.217 2.306 10 0 AEAERN CNCC(F)(F)c1ccccc1F 131772584 343888660 /nfs/dbraw/zinc/88/86/60/343888660.db2.gz FPUIEFQVVKNEJW-UHFFFAOYSA-N 0 0 189.180 2.137 10 0 AEAERN CNCC(F)(F)c1cccs1 131781351 343888670 /nfs/dbraw/zinc/88/86/70/343888670.db2.gz OAPFLRKUFSHCMU-UHFFFAOYSA-N 0 0 177.219 2.059 10 0 AEAERN CNCC(F)(F)c1cccc(F)c1 131777754 343888751 /nfs/dbraw/zinc/88/87/51/343888751.db2.gz AXGIUOLRHJKTOI-UHFFFAOYSA-N 0 0 189.180 2.137 10 0 AEAERN CCCCc1nc(N)cs1 131820433 343888861 /nfs/dbraw/zinc/88/88/61/343888861.db2.gz VBKAXMQLYOXTPQ-UHFFFAOYSA-N 0 0 156.254 2.068 10 0 AEAERN Cc1cnccc1-c1nc(N)cs1 131833611 343889235 /nfs/dbraw/zinc/88/92/35/343889235.db2.gz LSHVERBXAYUERF-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN CC(C)SCc1nc(N)cs1 131835036 343889286 /nfs/dbraw/zinc/88/92/86/343889286.db2.gz ZMTNOYHYYRCPIA-UHFFFAOYSA-N 0 0 188.321 2.367 10 0 AEAERN CC(C)CCc1nc(N)cs1 131825336 343889339 /nfs/dbraw/zinc/88/93/39/343889339.db2.gz DVXBQZFOEAJOIU-UHFFFAOYSA-N 0 0 170.281 2.314 10 0 AEAERN Cc1cccnc1-c1nc(N)cs1 131832506 343889343 /nfs/dbraw/zinc/88/93/43/343889343.db2.gz TTZVLYOEKNLEOH-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Nc1csc([C@@H]2CCCS2)n1 131828729 343889354 /nfs/dbraw/zinc/88/93/54/343889354.db2.gz LAZVFGHPCFOPPV-YFKPBYRVSA-N 0 0 186.305 2.293 10 0 AEAERN CC[C@H](C)c1nc(N)cs1 131830585 343889385 /nfs/dbraw/zinc/88/93/85/343889385.db2.gz XJTNBCMOQOESFI-YFKPBYRVSA-N 0 0 156.254 2.239 10 0 AEAERN C[C@]1(c2nc(N)cs2)CCCCO1 131824235 343889413 /nfs/dbraw/zinc/88/94/13/343889413.db2.gz MZBJILXIAPTLJF-SECBINFHSA-N 0 0 198.291 2.141 10 0 AEAERN C[C@@]1(c2nc(N)cs2)CCCCO1 131824455 343889432 /nfs/dbraw/zinc/88/94/32/343889432.db2.gz MZBJILXIAPTLJF-VIFPVBQESA-N 0 0 198.291 2.141 10 0 AEAERN Nc1csc([C@H]2CCCS2)n1 131828930 343889440 /nfs/dbraw/zinc/88/94/40/343889440.db2.gz LAZVFGHPCFOPPV-RXMQYKEDSA-N 0 0 186.305 2.293 10 0 AEAERN CC[C@@H](C)c1nc(N)cs1 131830390 343889443 /nfs/dbraw/zinc/88/94/43/343889443.db2.gz XJTNBCMOQOESFI-RXMQYKEDSA-N 0 0 156.254 2.239 10 0 AEAERN Cc1ccnc(-c2nc(N)cs2)c1 131840212 343889465 /nfs/dbraw/zinc/88/94/65/343889465.db2.gz KLCCZFVBSZUBGF-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1cc(F)cc(-c2cc(N)n[nH]2)c1 131866392 343889711 /nfs/dbraw/zinc/88/97/11/343889711.db2.gz GIMOSTVGNASTME-UHFFFAOYSA-N 0 0 191.209 2.106 10 0 AEAERN Cc1cccc(-c2nc(N)cs2)n1 131853176 343889744 /nfs/dbraw/zinc/88/97/44/343889744.db2.gz XASLYVSVBQPMQG-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Nc1csc(Cc2ccccc2)n1 131861824 343889751 /nfs/dbraw/zinc/88/97/51/343889751.db2.gz LPRJRPGZJOIHFL-UHFFFAOYSA-N 0 0 190.271 2.316 10 0 AEAERN Nc1csc(Cc2cccs2)n1 131859321 343889799 /nfs/dbraw/zinc/88/97/99/343889799.db2.gz LJHKGXQMDWYPAP-UHFFFAOYSA-N 0 0 196.300 2.378 10 0 AEAERN Nc1csc(N2CCCCCC2)n1 131863106 343889827 /nfs/dbraw/zinc/88/98/27/343889827.db2.gz IJMAMZURKBBTQP-UHFFFAOYSA-N 0 0 197.307 2.106 10 0 AEAERN Nc1cccc(OCc2ccoc2)c1 131854046 343889919 /nfs/dbraw/zinc/88/99/19/343889919.db2.gz PMWNHBZDKSWQOI-UHFFFAOYSA-N 0 0 189.214 2.441 10 0 AEAERN Cc1cc(F)cc(-c2cc(N)on2)c1 131867744 343889925 /nfs/dbraw/zinc/88/99/25/343889925.db2.gz FFOHULCKUIKJMN-UHFFFAOYSA-N 0 0 192.193 2.371 10 0 AEAERN Cc1cc(F)cc(-c2n[nH]c(C)n2)c1 131869699 343889960 /nfs/dbraw/zinc/88/99/60/343889960.db2.gz GJIIFOFXYKZMKR-UHFFFAOYSA-N 0 0 191.209 2.228 10 0 AEAERN Cc1sc(N2CCCCC2)nc1N 131872616 343890244 /nfs/dbraw/zinc/89/02/44/343890244.db2.gz WLEICICRFIGISR-UHFFFAOYSA-N 0 0 197.307 2.024 10 0 AEAERN Cc1cc(F)cc([C@]2(O)C[C@@H]2C)c1 131891726 343890369 /nfs/dbraw/zinc/89/03/69/343890369.db2.gz XYQRVWPCDUDLQQ-KWQFWETISA-N 0 0 180.222 2.362 10 0 AEAERN CCCCc1nc(N)c(C)s1 131874375 343890419 /nfs/dbraw/zinc/89/04/19/343890419.db2.gz VOVSUXSARIBREO-UHFFFAOYSA-N 0 0 170.281 2.376 10 0 AEAERN Cc1cc(F)cc([C@@]2(O)C[C@H]2C)c1 131892278 343890601 /nfs/dbraw/zinc/89/06/01/343890601.db2.gz XYQRVWPCDUDLQQ-LDYMZIIASA-N 0 0 180.222 2.362 10 0 AEAERN CCSCc1nc(N)c(C)s1 131905418 343890604 /nfs/dbraw/zinc/89/06/04/343890604.db2.gz JWYFSNBGBXEDHG-UHFFFAOYSA-N 0 0 188.321 2.287 10 0 AEAERN CCO[C@@H](C)c1nc(N)c(C)s1 131897312 343890612 /nfs/dbraw/zinc/89/06/12/343890612.db2.gz ZGMGXGKCGIGCNU-YFKPBYRVSA-N 0 0 186.280 2.131 10 0 AEAERN Brc1ccc([C@H]2CO2)o1 131906435 343890622 /nfs/dbraw/zinc/89/06/22/343890622.db2.gz ISGCOUICYYOUDX-RXMQYKEDSA-N 0 0 189.008 2.113 10 0 AEAERN Cc1sc(C2(C)CC2)nc1N 131892139 343890648 /nfs/dbraw/zinc/89/06/48/343890648.db2.gz FYAUHUGYRXAGSG-UHFFFAOYSA-N 0 0 168.265 2.085 10 0 AEAERN CCO[C@H](C)c1nc(N)c(C)s1 131897531 343890698 /nfs/dbraw/zinc/89/06/98/343890698.db2.gz ZGMGXGKCGIGCNU-RXMQYKEDSA-N 0 0 186.280 2.131 10 0 AEAERN Brc1ccc([C@@H]2CO2)o1 131906231 343890780 /nfs/dbraw/zinc/89/07/80/343890780.db2.gz ISGCOUICYYOUDX-YFKPBYRVSA-N 0 0 189.008 2.113 10 0 AEAERN Cc1cc(F)cc([C@]2(O)C[C@H]2C)c1 131892070 343890836 /nfs/dbraw/zinc/89/08/36/343890836.db2.gz XYQRVWPCDUDLQQ-KCJUWKMLSA-N 0 0 180.222 2.362 10 0 AEAERN Cc1sc(-c2ccoc2)nc1N 131902839 343890859 /nfs/dbraw/zinc/89/08/59/343890859.db2.gz XXLNRIOQNBXTEO-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN Cc1cc(F)cc([C@@]2(O)C[C@@H]2C)c1 131891897 343890881 /nfs/dbraw/zinc/89/08/81/343890881.db2.gz XYQRVWPCDUDLQQ-GZMMTYOYSA-N 0 0 180.222 2.362 10 0 AEAERN Fc1ccc2nc(C3CC3)cn2c1 131929721 343890982 /nfs/dbraw/zinc/89/09/82/343890982.db2.gz WODOYPWNVBIWOB-UHFFFAOYSA-N 0 0 176.194 2.351 10 0 AEAERN Cc1cc(C)cc([C@@H](C)NO)c1 131958494 343891045 /nfs/dbraw/zinc/89/10/45/343891045.db2.gz JUWNWBSANDIYOI-SECBINFHSA-N 0 0 165.236 2.343 10 0 AEAERN CC[C@@H](C)[C@@H](O)c1cc(F)ccc1N 131940912 343891057 /nfs/dbraw/zinc/89/10/57/343891057.db2.gz KLULDILESFCEQJ-RDDDGLTNSA-N 0 0 197.253 2.487 10 0 AEAERN CCOc1ccccc1[C@@H](C)NO 131953470 343891079 /nfs/dbraw/zinc/89/10/79/343891079.db2.gz JPZGKEXWGKVBBY-MRVPVSSYSA-N 0 0 181.235 2.125 10 0 AEAERN Cc1sc([C@H]2C[C@@H]2C)nc1N 131930135 343891105 /nfs/dbraw/zinc/89/11/05/343891105.db2.gz HXHCYKBKCPIMNM-NJGYIYPDSA-N 0 0 168.265 2.157 10 0 AEAERN c1ccn2cc(C3CC3)nc2c1 131929514 343891158 /nfs/dbraw/zinc/89/11/58/343891158.db2.gz FVEMSBUFFCKITJ-UHFFFAOYSA-N 0 0 158.204 2.212 10 0 AEAERN Cc1sc([C@@H]2C[C@@H]2C)nc1N 131929908 343891173 /nfs/dbraw/zinc/89/11/73/343891173.db2.gz HXHCYKBKCPIMNM-UJURSFKZSA-N 0 0 168.265 2.157 10 0 AEAERN ONCc1ccc(Cl)c(Cl)c1 131954574 343891191 /nfs/dbraw/zinc/89/11/91/343891191.db2.gz ACDJJAXBOCZPDD-UHFFFAOYSA-N 0 0 192.045 2.472 10 0 AEAERN Cc1cc(C)cc([C@H](C)NO)c1 131958695 343891206 /nfs/dbraw/zinc/89/12/06/343891206.db2.gz JUWNWBSANDIYOI-VIFPVBQESA-N 0 0 165.236 2.343 10 0 AEAERN ON[C@@H]1CCSc2ccccc21 131958028 343891218 /nfs/dbraw/zinc/89/12/18/343891218.db2.gz YUQRCBNYCLPJGS-MRVPVSSYSA-N 0 0 181.260 2.202 10 0 AEAERN CC[C@H](C)[C@H](O)c1cc(F)ccc1N 131940693 343891231 /nfs/dbraw/zinc/89/12/31/343891231.db2.gz KLULDILESFCEQJ-CPCISQLKSA-N 0 0 197.253 2.487 10 0 AEAERN CCOc1ccccc1[C@H](C)NO 131953709 343891239 /nfs/dbraw/zinc/89/12/39/343891239.db2.gz JPZGKEXWGKVBBY-QMMMGPOBSA-N 0 0 181.235 2.125 10 0 AEAERN ON[C@H]1CCSc2ccccc21 131958247 343891291 /nfs/dbraw/zinc/89/12/91/343891291.db2.gz YUQRCBNYCLPJGS-QMMMGPOBSA-N 0 0 181.260 2.202 10 0 AEAERN CC[C@H](C)[C@@H](O)c1cc(F)ccc1N 131941128 343891320 /nfs/dbraw/zinc/89/13/20/343891320.db2.gz KLULDILESFCEQJ-WRWORJQWSA-N 0 0 197.253 2.487 10 0 AEAERN Cc1cc(C)c(CNO)cc1C 131953938 343891324 /nfs/dbraw/zinc/89/13/24/343891324.db2.gz AIBRKJVRQUUMIN-UHFFFAOYSA-N 0 0 165.236 2.091 10 0 AEAERN Cc1sc([C@@]2(C)CCCO2)nc1N 131928850 343891327 /nfs/dbraw/zinc/89/13/27/343891327.db2.gz KQKQYSMTHNSFPU-SECBINFHSA-N 0 0 198.291 2.059 10 0 AEAERN Cc1sc([C@H]2C[C@H]2C)nc1N 131930527 343891332 /nfs/dbraw/zinc/89/13/32/343891332.db2.gz HXHCYKBKCPIMNM-XINAWCOVSA-N 0 0 168.265 2.157 10 0 AEAERN Cc1sc(-c2cscn2)nc1N 131931968 343891356 /nfs/dbraw/zinc/89/13/56/343891356.db2.gz JXVNZOZWWGPTTR-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN Nc1ccc(F)cc1[C@H](O)CC1CC1 131921927 343891365 /nfs/dbraw/zinc/89/13/65/343891365.db2.gz NVVDZDMKKKQSGP-LLVKDONJSA-N 0 0 195.237 2.241 10 0 AEAERN Cc1sc([C@]2(C)CCCO2)nc1N 131928628 343891368 /nfs/dbraw/zinc/89/13/68/343891368.db2.gz KQKQYSMTHNSFPU-VIFPVBQESA-N 0 0 198.291 2.059 10 0 AEAERN Nc1ccc(F)cc1[C@@H](O)CC1CC1 131922139 343891371 /nfs/dbraw/zinc/89/13/71/343891371.db2.gz NVVDZDMKKKQSGP-NSHDSACASA-N 0 0 195.237 2.241 10 0 AEAERN OCCCc1cc2cc(F)ccc2o1 131959237 343891411 /nfs/dbraw/zinc/89/14/11/343891411.db2.gz JITMUFKDEAEGDS-UHFFFAOYSA-N 0 0 194.205 2.497 10 0 AEAERN C[C@H](NO)c1ccc2c(c1)CCC2 131992396 343891511 /nfs/dbraw/zinc/89/15/11/343891511.db2.gz IIGTYUFIUIFBFT-QMMMGPOBSA-N 0 0 177.247 2.215 10 0 AEAERN ON[C@H]1CCC[C@@H](C(F)(F)F)C1 131990046 343891583 /nfs/dbraw/zinc/89/15/83/343891583.db2.gz OAIZUIQCURXDNG-RITPCOANSA-N 0 0 183.173 2.086 10 0 AEAERN Cc1ccc([C@@H](C)NO)c(C)c1 131980708 343891594 /nfs/dbraw/zinc/89/15/94/343891594.db2.gz BJRBIRIYAFRJBX-SECBINFHSA-N 0 0 165.236 2.343 10 0 AEAERN C[C@@H](NO)c1ccc2c(c1)CCC2 131992663 343891611 /nfs/dbraw/zinc/89/16/11/343891611.db2.gz IIGTYUFIUIFBFT-MRVPVSSYSA-N 0 0 177.247 2.215 10 0 AEAERN ON[C@@H]1CCC[C@@H](C(F)(F)F)C1 131989593 343891620 /nfs/dbraw/zinc/89/16/20/343891620.db2.gz OAIZUIQCURXDNG-PHDIDXHHSA-N 0 0 183.173 2.086 10 0 AEAERN Cc1cc(F)c([C@@H](C)NO)cc1F 131977115 343891652 /nfs/dbraw/zinc/89/16/52/343891652.db2.gz WEDRUXMSEUAPAC-ZCFIWIBFSA-N 0 0 187.189 2.313 10 0 AEAERN C[C@@H](NO)c1cc(F)ccc1F 131992167 343891674 /nfs/dbraw/zinc/89/16/74/343891674.db2.gz OWJYGBPUWDUBCU-RXMQYKEDSA-N 0 0 173.162 2.005 10 0 AEAERN ON[C@@H]1CCCCc2ccccc21 131981996 343891698 /nfs/dbraw/zinc/89/16/98/343891698.db2.gz VKCJPOSVFDSOJI-LLVKDONJSA-N 0 0 177.247 2.433 10 0 AEAERN ON[C@H]1CCC[C@H](C(F)(F)F)C1 131989821 343891724 /nfs/dbraw/zinc/89/17/24/343891724.db2.gz OAIZUIQCURXDNG-WDSKDSINSA-N 0 0 183.173 2.086 10 0 AEAERN ON[C@@H]1CCC[C@H](C(F)(F)F)C1 131989386 343891739 /nfs/dbraw/zinc/89/17/39/343891739.db2.gz OAIZUIQCURXDNG-NTSWFWBYSA-N 0 0 183.173 2.086 10 0 AEAERN Cc1ccccc1C1CC(NO)C1 131969981 343891759 /nfs/dbraw/zinc/89/17/59/343891759.db2.gz FZRRLIQHGUMBAW-UHFFFAOYSA-N 0 0 177.247 2.220 10 0 AEAERN Cc1cc(N)cc(-c2ncco2)c1 131971104 343891775 /nfs/dbraw/zinc/89/17/75/343891775.db2.gz ZCTGPYZBJDRULW-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1cc(F)c([C@H](C)NO)cc1F 131977319 343891822 /nfs/dbraw/zinc/89/18/22/343891822.db2.gz WEDRUXMSEUAPAC-LURJTMIESA-N 0 0 187.189 2.313 10 0 AEAERN ON[C@H]1CCCCc2ccccc21 131981802 343891861 /nfs/dbraw/zinc/89/18/61/343891861.db2.gz VKCJPOSVFDSOJI-NSHDSACASA-N 0 0 177.247 2.433 10 0 AEAERN C[C@H](NO)c1cc(F)ccc1F 131991946 343891863 /nfs/dbraw/zinc/89/18/63/343891863.db2.gz OWJYGBPUWDUBCU-YFKPBYRVSA-N 0 0 173.162 2.005 10 0 AEAERN Cc1cc(C)c([C@@H](C)NO)c(C)n1 131963090 343891895 /nfs/dbraw/zinc/89/18/95/343891895.db2.gz VZIIXRKHXIJVOT-SECBINFHSA-N 0 0 180.251 2.047 10 0 AEAERN Cc1ccc([C@H](C)NO)c(C)c1 131980922 343891905 /nfs/dbraw/zinc/89/19/05/343891905.db2.gz BJRBIRIYAFRJBX-VIFPVBQESA-N 0 0 165.236 2.343 10 0 AEAERN Cc1cc(C)c([C@H](C)NO)c(C)n1 131963271 343891915 /nfs/dbraw/zinc/89/19/15/343891915.db2.gz VZIIXRKHXIJVOT-VIFPVBQESA-N 0 0 180.251 2.047 10 0 AEAERN CC[C@H](NO)c1ccc(F)cc1 132013161 343892108 /nfs/dbraw/zinc/89/21/08/343892108.db2.gz DXAMNXSIJBYGSV-VIFPVBQESA-N 0 0 169.199 2.256 10 0 AEAERN CC[C@@H](NO)c1ccc(F)cc1 132013318 343892136 /nfs/dbraw/zinc/89/21/36/343892136.db2.gz DXAMNXSIJBYGSV-SECBINFHSA-N 0 0 169.199 2.256 10 0 AEAERN ON[C@H](c1ccccc1)c1ccco1 132002718 343892139 /nfs/dbraw/zinc/89/21/39/343892139.db2.gz QINYMLMAHDSKJC-LLVKDONJSA-N 0 0 189.214 2.348 10 0 AEAERN FC(F)CNc1ncccc1Cl 132001242 343892207 /nfs/dbraw/zinc/89/22/07/343892207.db2.gz NDQNJKYJXZIVEE-UHFFFAOYSA-N 0 0 192.596 2.412 10 0 AEAERN Cc1ccccc1[C@@H](C)NO 132017686 343892223 /nfs/dbraw/zinc/89/22/23/343892223.db2.gz UOAXOLUMNWCWMO-MRVPVSSYSA-N 0 0 151.209 2.035 10 0 AEAERN ON[C@@H](c1ccccc1)c1ccco1 132002477 343892243 /nfs/dbraw/zinc/89/22/43/343892243.db2.gz QINYMLMAHDSKJC-NSHDSACASA-N 0 0 189.214 2.348 10 0 AEAERN C[C@H](NO)c1ccc(F)c(F)c1 132020502 343892329 /nfs/dbraw/zinc/89/23/29/343892329.db2.gz QTVDRSYCSHBMBN-YFKPBYRVSA-N 0 0 173.162 2.005 10 0 AEAERN C[C@@H](NO)c1ccc(F)c(F)c1 132020722 343892359 /nfs/dbraw/zinc/89/23/59/343892359.db2.gz QTVDRSYCSHBMBN-RXMQYKEDSA-N 0 0 173.162 2.005 10 0 AEAERN C[C@H](NO)c1cnc2ccsc2c1 132006836 343892413 /nfs/dbraw/zinc/89/24/13/343892413.db2.gz CUCUSNXGPZHUQG-LURJTMIESA-N 0 0 194.259 2.336 10 0 AEAERN C[C@@H](NO)c1cnc2ccsc2c1 132007057 343892450 /nfs/dbraw/zinc/89/24/50/343892450.db2.gz CUCUSNXGPZHUQG-ZCFIWIBFSA-N 0 0 194.259 2.336 10 0 AEAERN Cc1ccccc1[C@H](C)NO 132017901 343892454 /nfs/dbraw/zinc/89/24/54/343892454.db2.gz UOAXOLUMNWCWMO-QMMMGPOBSA-N 0 0 151.209 2.035 10 0 AEAERN ONCc1ccc(C2CC2)cc1 132036945 343892848 /nfs/dbraw/zinc/89/28/48/343892848.db2.gz GLOUIPUNAYRARK-UHFFFAOYSA-N 0 0 163.220 2.043 10 0 AEAERN ONCc1cccc(C(F)F)c1 132038803 343892638 /nfs/dbraw/zinc/89/26/38/343892638.db2.gz WISDAHHRXINMOK-UHFFFAOYSA-N 0 0 173.162 2.103 10 0 AEAERN CC1(C)CCC[C@H](NO)CC1 132035524 343892657 /nfs/dbraw/zinc/89/26/57/343892657.db2.gz BSNLXXGWTKOREH-QMMMGPOBSA-N 0 0 157.257 2.324 10 0 AEAERN CC1(C)CCC[C@@H](NO)CC1 132035720 343892679 /nfs/dbraw/zinc/89/26/79/343892679.db2.gz BSNLXXGWTKOREH-MRVPVSSYSA-N 0 0 157.257 2.324 10 0 AEAERN Cc1cccc(C2CC(NO)C2)c1 132031045 343892702 /nfs/dbraw/zinc/89/27/02/343892702.db2.gz CBXQQEJFZMLZEH-UHFFFAOYSA-N 0 0 177.247 2.220 10 0 AEAERN Cc1nc(NCC(F)F)sc1C 132036554 343892749 /nfs/dbraw/zinc/89/27/49/343892749.db2.gz WOBJYITWZVOWJF-UHFFFAOYSA-N 0 0 192.234 2.437 10 0 AEAERN ON[C@@H](c1ccc(F)cc1)C1CC1 132028377 343892800 /nfs/dbraw/zinc/89/28/00/343892800.db2.gz FWSJVZQXVORBEL-SNVBAGLBSA-N 0 0 181.210 2.256 10 0 AEAERN C[C@H](NO)c1ccccc1Cl 132043179 343892911 /nfs/dbraw/zinc/89/29/11/343892911.db2.gz KZKZCVBVHKJTBP-LURJTMIESA-N 0 0 171.627 2.380 10 0 AEAERN C[C@@H](NO)c1ccccc1Cl 132043355 343892928 /nfs/dbraw/zinc/89/29/28/343892928.db2.gz KZKZCVBVHKJTBP-ZCFIWIBFSA-N 0 0 171.627 2.380 10 0 AEAERN Cc1cccc2c1OCCC[C@H]2NO 132023370 343892953 /nfs/dbraw/zinc/89/29/53/343892953.db2.gz YVMDBCMKZRYPLH-SNVBAGLBSA-N 0 0 193.246 2.188 10 0 AEAERN CC[C@H](NO)c1ccc2c(c1)CCO2 132027995 343892958 /nfs/dbraw/zinc/89/29/58/343892958.db2.gz UJHWBJCOKFIHIM-JTQLQIEISA-N 0 0 193.246 2.051 10 0 AEAERN CC[C@@H](NO)c1ccc2c(c1)CCO2 132028177 343892961 /nfs/dbraw/zinc/89/29/61/343892961.db2.gz UJHWBJCOKFIHIM-SNVBAGLBSA-N 0 0 193.246 2.051 10 0 AEAERN Cc1cccc2c1OCCC[C@@H]2NO 132023160 343892964 /nfs/dbraw/zinc/89/29/64/343892964.db2.gz YVMDBCMKZRYPLH-JTQLQIEISA-N 0 0 193.246 2.188 10 0 AEAERN ON[C@H](c1ccc(F)cc1)C1CC1 132028565 343893013 /nfs/dbraw/zinc/89/30/13/343893013.db2.gz FWSJVZQXVORBEL-JTQLQIEISA-N 0 0 181.210 2.256 10 0 AEAERN CCc1nccn1Cc1ccoc1 132070501 343893375 /nfs/dbraw/zinc/89/33/75/343893375.db2.gz AFULWACQTQMMEA-UHFFFAOYSA-N 0 0 176.219 2.087 10 0 AEAERN Cc1cc(C)n(Cc2ccoc2)n1 132069477 343893413 /nfs/dbraw/zinc/89/34/13/343893413.db2.gz MCTGDWLNIUCOIP-UHFFFAOYSA-N 0 0 176.219 2.141 10 0 AEAERN CC[C@H](NO)c1ccccc1OC 132060034 343893467 /nfs/dbraw/zinc/89/34/67/343893467.db2.gz GRQFTIMBDFLYFK-VIFPVBQESA-N 0 0 181.235 2.125 10 0 AEAERN CC[C@@H](NO)c1ccccc1OC 132060264 343893480 /nfs/dbraw/zinc/89/34/80/343893480.db2.gz GRQFTIMBDFLYFK-SECBINFHSA-N 0 0 181.235 2.125 10 0 AEAERN ON[C@H]1CCSc2c(F)cccc21 132095934 343893746 /nfs/dbraw/zinc/89/37/46/343893746.db2.gz ZNZWDZOLRROPNF-QMMMGPOBSA-N 0 0 199.250 2.341 10 0 AEAERN ON[C@@H]1CCc2sc(Cl)cc21 132076577 343893613 /nfs/dbraw/zinc/89/36/13/343893613.db2.gz ZXYNYDBTIXVHKJ-RXMQYKEDSA-N 0 0 189.667 2.368 10 0 AEAERN ON[C@@H]1CCSc2c(F)cccc21 132096128 343893710 /nfs/dbraw/zinc/89/37/10/343893710.db2.gz ZNZWDZOLRROPNF-MRVPVSSYSA-N 0 0 199.250 2.341 10 0 AEAERN C[C@@H](NO)c1ccc(F)cc1F 132089706 343893723 /nfs/dbraw/zinc/89/37/23/343893723.db2.gz URKQZJOXFQYNIL-RXMQYKEDSA-N 0 0 173.162 2.005 10 0 AEAERN C[C@H](NO)c1ccc(F)cc1F 132089508 343893834 /nfs/dbraw/zinc/89/38/34/343893834.db2.gz URKQZJOXFQYNIL-YFKPBYRVSA-N 0 0 173.162 2.005 10 0 AEAERN CCOc1ccc([C@H](C)NO)cc1 132085365 343893944 /nfs/dbraw/zinc/89/39/44/343893944.db2.gz MHAIDWZSCYEHTB-QMMMGPOBSA-N 0 0 181.235 2.125 10 0 AEAERN ON[C@H]1CCc2sc(Cl)cc21 132076422 343893961 /nfs/dbraw/zinc/89/39/61/343893961.db2.gz ZXYNYDBTIXVHKJ-YFKPBYRVSA-N 0 0 189.667 2.368 10 0 AEAERN CCOc1ccc([C@@H](C)NO)cc1 132085170 343893964 /nfs/dbraw/zinc/89/39/64/343893964.db2.gz MHAIDWZSCYEHTB-MRVPVSSYSA-N 0 0 181.235 2.125 10 0 AEAERN C[C@H](NO)c1cccc(Cl)c1 132114869 343894081 /nfs/dbraw/zinc/89/40/81/343894081.db2.gz SUFGCJWRELEMFM-LURJTMIESA-N 0 0 171.627 2.380 10 0 AEAERN [NH3+]C[C@@H](F)c1cc2ccccc2o1 132107410 343894084 /nfs/dbraw/zinc/89/40/84/343894084.db2.gz MKTCTGOOSKDCER-MRVPVSSYSA-N 0 0 179.194 2.402 10 0 AEAERN ON[C@H]1CCCc2sccc21 132121240 343894112 /nfs/dbraw/zinc/89/41/12/343894112.db2.gz WWGFQCYZJSUAEJ-ZETCQYMHSA-N 0 0 169.249 2.104 10 0 AEAERN C[C@@H](NO)c1cccc(Cl)c1 132115051 343894120 /nfs/dbraw/zinc/89/41/20/343894120.db2.gz SUFGCJWRELEMFM-ZCFIWIBFSA-N 0 0 171.627 2.380 10 0 AEAERN ON[C@@H]1CCc2cc(Cl)ccc21 132121634 343894167 /nfs/dbraw/zinc/89/41/67/343894167.db2.gz SGGLNEUAGFQYBX-SECBINFHSA-N 0 0 183.638 2.306 10 0 AEAERN CCO[C@@H]1C[C@@H](NO)C12CCCCC2 132102751 343894226 /nfs/dbraw/zinc/89/42/26/343894226.db2.gz BPEOHFBGRJIPKW-NXEZZACHSA-N 0 0 199.294 2.093 10 0 AEAERN ON[C@H]1CCc2cc(Cl)ccc21 132121446 343894251 /nfs/dbraw/zinc/89/42/51/343894251.db2.gz SGGLNEUAGFQYBX-VIFPVBQESA-N 0 0 183.638 2.306 10 0 AEAERN CCO[C@H]1C[C@H](NO)C12CCCCC2 132102636 343894290 /nfs/dbraw/zinc/89/42/90/343894290.db2.gz BPEOHFBGRJIPKW-UWVGGRQHSA-N 0 0 199.294 2.093 10 0 AEAERN ON[C@@H]1CCCc2sccc21 132121054 343894293 /nfs/dbraw/zinc/89/42/93/343894293.db2.gz WWGFQCYZJSUAEJ-SSDOTTSWSA-N 0 0 169.249 2.104 10 0 AEAERN CSc1ccc([C@H](C)NO)cc1 132119414 343894333 /nfs/dbraw/zinc/89/43/33/343894333.db2.gz MAANRGHDTWTMBH-ZETCQYMHSA-N 0 0 183.276 2.448 10 0 AEAERN CCO[C@H]1C[C@@H](NO)C12CCCCC2 132102997 343894336 /nfs/dbraw/zinc/89/43/36/343894336.db2.gz BPEOHFBGRJIPKW-ZJUUUORDSA-N 0 0 199.294 2.093 10 0 AEAERN Cc1ccc([C@H](C)NO)cc1F 132104656 343894348 /nfs/dbraw/zinc/89/43/48/343894348.db2.gz OZEGUWYFNVUDJX-ZETCQYMHSA-N 0 0 169.199 2.174 10 0 AEAERN Cc1ccc([C@@H](C)NO)cc1F 132104455 343894352 /nfs/dbraw/zinc/89/43/52/343894352.db2.gz OZEGUWYFNVUDJX-SSDOTTSWSA-N 0 0 169.199 2.174 10 0 AEAERN [NH3+]C[C@H](F)c1cc2ccccc2o1 132107643 343894374 /nfs/dbraw/zinc/89/43/74/343894374.db2.gz MKTCTGOOSKDCER-QMMMGPOBSA-N 0 0 179.194 2.402 10 0 AEAERN CCO[C@@H]1C[C@H](NO)C12CCCCC2 132102510 343894387 /nfs/dbraw/zinc/89/43/87/343894387.db2.gz BPEOHFBGRJIPKW-VHSXEESVSA-N 0 0 199.294 2.093 10 0 AEAERN CC(C)[C@H]1CCCC[C@@H]1NO 132138649 343894713 /nfs/dbraw/zinc/89/47/13/343894713.db2.gz JJKPAJLITUYGAQ-BDAKNGLRSA-N 0 0 157.257 2.180 10 0 AEAERN CCCC1CCC(NO)CC1 132145991 343894650 /nfs/dbraw/zinc/89/46/50/343894650.db2.gz LIKUSJPRAPLGEL-UHFFFAOYSA-N 0 0 157.257 2.324 10 0 AEAERN COc1ccc2c(c1)[C@@H](NO)CCC2 132125749 343894668 /nfs/dbraw/zinc/89/46/68/343894668.db2.gz JBMWLSXBSPGLIH-NSHDSACASA-N 0 0 193.246 2.051 10 0 AEAERN COc1ccc2c(c1)[C@H](NO)CCC2 132125604 343894670 /nfs/dbraw/zinc/89/46/70/343894670.db2.gz JBMWLSXBSPGLIH-LLVKDONJSA-N 0 0 193.246 2.051 10 0 AEAERN Cc1ccnc(NCC(F)F)c1 132125681 343894676 /nfs/dbraw/zinc/89/46/76/343894676.db2.gz RFKXVCVLEDZRIJ-UHFFFAOYSA-N 0 0 172.178 2.067 10 0 AEAERN CC(C)[C@H](NO)c1cccs1 132127147 343894702 /nfs/dbraw/zinc/89/47/02/343894702.db2.gz AZIKXFZKGFBOTC-QMMMGPOBSA-N 0 0 171.265 2.424 10 0 AEAERN Cc1ccc(C2CC(NO)C2)cc1 132141541 343894709 /nfs/dbraw/zinc/89/47/09/343894709.db2.gz VUKCOZSKEXSACO-UHFFFAOYSA-N 0 0 177.247 2.220 10 0 AEAERN CC(C)[C@H]1CCCC[C@H]1NO 132139022 343894742 /nfs/dbraw/zinc/89/47/42/343894742.db2.gz JJKPAJLITUYGAQ-RKDXNWHRSA-N 0 0 157.257 2.180 10 0 AEAERN ONCc1ccc(C(F)(F)F)cc1 132145292 343894731 /nfs/dbraw/zinc/89/47/31/343894731.db2.gz XBVCFMXLPMBKCE-UHFFFAOYSA-N 0 0 191.152 2.184 10 0 AEAERN CC(C)[C@@H](NO)c1cccs1 132127387 343894775 /nfs/dbraw/zinc/89/47/75/343894775.db2.gz AZIKXFZKGFBOTC-MRVPVSSYSA-N 0 0 171.265 2.424 10 0 AEAERN CC(C)[C@@H]1CCCC[C@@H]1NO 132138412 343894809 /nfs/dbraw/zinc/89/48/09/343894809.db2.gz JJKPAJLITUYGAQ-IUCAKERBSA-N 0 0 157.257 2.180 10 0 AEAERN NNc1cc2cc(Cl)ccc2o1 132157805 343895041 /nfs/dbraw/zinc/89/50/41/343895041.db2.gz DMAJZOKENCCVLT-UHFFFAOYSA-N 0 0 182.610 2.372 10 0 AEAERN C[C@H]1C[C@H](NO)CC(C)(C)C1 132171850 343895071 /nfs/dbraw/zinc/89/50/71/343895071.db2.gz RODBBLSSPFYWQD-YUMQZZPRSA-N 0 0 157.257 2.180 10 0 AEAERN ON[C@@H]1CCCC[C@H]1C(F)(F)F 132179344 343895087 /nfs/dbraw/zinc/89/50/87/343895087.db2.gz URGIXVXGYMTRRG-PHDIDXHHSA-N 0 0 183.173 2.086 10 0 AEAERN NNc1cc2cccc(Cl)c2o1 132158244 343895106 /nfs/dbraw/zinc/89/51/06/343895106.db2.gz VSSNSWLSAMQNSN-UHFFFAOYSA-N 0 0 182.610 2.372 10 0 AEAERN CC[C@H]1CCC[C@@H](NO)CC1 132161712 343895110 /nfs/dbraw/zinc/89/51/10/343895110.db2.gz WBTSNVBKPQQKJH-DTWKUNHWSA-N 0 0 157.257 2.324 10 0 AEAERN C[C@H]1C[C@@H](NO)CC(C)(C)C1 132172250 343895117 /nfs/dbraw/zinc/89/51/17/343895117.db2.gz RODBBLSSPFYWQD-JGVFFNPUSA-N 0 0 157.257 2.180 10 0 AEAERN CC[C@@H]1CCC[C@H](NO)CC1 132161128 343895122 /nfs/dbraw/zinc/89/51/22/343895122.db2.gz WBTSNVBKPQQKJH-BDAKNGLRSA-N 0 0 157.257 2.324 10 0 AEAERN C[C@@H]1C[C@H](NO)CC(C)(C)C1 132171635 343895172 /nfs/dbraw/zinc/89/51/72/343895172.db2.gz RODBBLSSPFYWQD-SFYZADRCSA-N 0 0 157.257 2.180 10 0 AEAERN ONC1CC(c2ccc(F)cc2)C1 132157648 343895150 /nfs/dbraw/zinc/89/51/50/343895150.db2.gz XDJGZISGEJOUHV-UHFFFAOYSA-N 0 0 181.210 2.051 10 0 AEAERN Cc1cccc([C@@H](C)NO)c1 132154818 343895155 /nfs/dbraw/zinc/89/51/55/343895155.db2.gz YRZGBCFIYMDATJ-MRVPVSSYSA-N 0 0 151.209 2.035 10 0 AEAERN ON[C@H]1CCCC[C@H]1C(F)(F)F 132179229 343895156 /nfs/dbraw/zinc/89/51/56/343895156.db2.gz URGIXVXGYMTRRG-RITPCOANSA-N 0 0 183.173 2.086 10 0 AEAERN CC1(C)C[C@H](NO)c2ccccc2O1 132158123 343895169 /nfs/dbraw/zinc/89/51/69/343895169.db2.gz IDIDMZROGGCUQD-VIFPVBQESA-N 0 0 193.246 2.268 10 0 AEAERN CC[C@H]1CCC[C@H](NO)CC1 132161324 343895207 /nfs/dbraw/zinc/89/52/07/343895207.db2.gz WBTSNVBKPQQKJH-IUCAKERBSA-N 0 0 157.257 2.324 10 0 AEAERN CC1(C)C[C@@H](NO)c2ccccc2O1 132158335 343895209 /nfs/dbraw/zinc/89/52/09/343895209.db2.gz IDIDMZROGGCUQD-SECBINFHSA-N 0 0 193.246 2.268 10 0 AEAERN ON[C@H]1CCCC[C@@H]1C(F)(F)F 132179545 343895223 /nfs/dbraw/zinc/89/52/23/343895223.db2.gz URGIXVXGYMTRRG-WDSKDSINSA-N 0 0 183.173 2.086 10 0 AEAERN ON[C@@H]1CCCC[C@@H]1C(F)(F)F 132179752 343895238 /nfs/dbraw/zinc/89/52/38/343895238.db2.gz URGIXVXGYMTRRG-NTSWFWBYSA-N 0 0 183.173 2.086 10 0 AEAERN CC[C@@H](NO)c1ccc(OC)cc1 132181478 343895580 /nfs/dbraw/zinc/89/55/80/343895580.db2.gz UYMIDHJZBQQLKD-SNVBAGLBSA-N 0 0 181.235 2.125 10 0 AEAERN C[C@H](NO)c1cc(F)cc(F)c1 132183089 343895540 /nfs/dbraw/zinc/89/55/40/343895540.db2.gz KBPVPQRYJYOULB-YFKPBYRVSA-N 0 0 173.162 2.005 10 0 AEAERN CC[C@H](NO)c1ccc(OC)cc1 132181282 343895578 /nfs/dbraw/zinc/89/55/78/343895578.db2.gz UYMIDHJZBQQLKD-JTQLQIEISA-N 0 0 181.235 2.125 10 0 AEAERN C[C@@H]1CC(C)(C)CC[C@@H]1NO 132192462 343895647 /nfs/dbraw/zinc/89/56/47/343895647.db2.gz AWGZUPHUXYUBFR-SFYZADRCSA-N 0 0 157.257 2.180 10 0 AEAERN C[C@H]1CC(C)(C)CC[C@H]1NO 132193007 343895650 /nfs/dbraw/zinc/89/56/50/343895650.db2.gz AWGZUPHUXYUBFR-JGVFFNPUSA-N 0 0 157.257 2.180 10 0 AEAERN CC[C@H](NO)c1ccc(C)cc1 132181773 343895658 /nfs/dbraw/zinc/89/56/58/343895658.db2.gz QDRCDWBBJTYEAS-JTQLQIEISA-N 0 0 165.236 2.425 10 0 AEAERN Cc1ccc([C@H](NO)C2CC2)cc1 132186988 343895667 /nfs/dbraw/zinc/89/56/67/343895667.db2.gz FNWHPUFSVIFCRV-NSHDSACASA-N 0 0 177.247 2.425 10 0 AEAERN C[C@@H](NO)c1cc(F)cc(F)c1 132183305 343895673 /nfs/dbraw/zinc/89/56/73/343895673.db2.gz KBPVPQRYJYOULB-RXMQYKEDSA-N 0 0 173.162 2.005 10 0 AEAERN C[C@H]1CC(C)(C)CC[C@@H]1NO 132192667 343895732 /nfs/dbraw/zinc/89/57/32/343895732.db2.gz AWGZUPHUXYUBFR-YUMQZZPRSA-N 0 0 157.257 2.180 10 0 AEAERN Cc1cccc([C@]2(O)C[C@@H]2C)c1F 132298633 343896136 /nfs/dbraw/zinc/89/61/36/343896136.db2.gz WRJXKPJESDASCV-KWQFWETISA-N 0 0 180.222 2.362 10 0 AEAERN Cc1cccc([C@]2(O)C[C@H]2C)c1F 132299059 343896237 /nfs/dbraw/zinc/89/62/37/343896237.db2.gz WRJXKPJESDASCV-KCJUWKMLSA-N 0 0 180.222 2.362 10 0 AEAERN Cc1cccc([C@@]2(O)C[C@H]2C)c1F 132299229 343896347 /nfs/dbraw/zinc/89/63/47/343896347.db2.gz WRJXKPJESDASCV-LDYMZIIASA-N 0 0 180.222 2.362 10 0 AEAERN Cc1cccc([C@@]2(O)C[C@@H]2C)c1F 132298875 343896383 /nfs/dbraw/zinc/89/63/83/343896383.db2.gz WRJXKPJESDASCV-GZMMTYOYSA-N 0 0 180.222 2.362 10 0 AEAERN C[C@@H](Nc1ccc(CO)cc1)C1CC1 132324307 343896653 /nfs/dbraw/zinc/89/66/53/343896653.db2.gz PTRWJYNUBHTQPO-SECBINFHSA-N 0 0 191.274 2.389 10 0 AEAERN OCc1ccc(NC2CCC2)cc1 132332460 343896841 /nfs/dbraw/zinc/89/68/41/343896841.db2.gz DYCHSJCOVFSMSI-UHFFFAOYSA-N 0 0 177.247 2.143 10 0 AEAERN C[C@H](Nc1ccc(CO)cc1)C1CC1 132324093 343896910 /nfs/dbraw/zinc/89/69/10/343896910.db2.gz PTRWJYNUBHTQPO-VIFPVBQESA-N 0 0 191.274 2.389 10 0 AEAERN COC1([C@H](O)c2ccccc2)CCC1 132338652 343897000 /nfs/dbraw/zinc/89/70/00/343897000.db2.gz HLPRGWXCEJKXJI-LLVKDONJSA-N 0 0 192.258 2.289 10 0 AEAERN COC1([C@@H](O)c2ccccc2)CCC1 132338881 343897030 /nfs/dbraw/zinc/89/70/30/343897030.db2.gz HLPRGWXCEJKXJI-NSHDSACASA-N 0 0 192.258 2.289 10 0 AEAERN CC(C)c1cnc(-c2nc[nH]n2)s1 132385719 343897322 /nfs/dbraw/zinc/89/73/22/343897322.db2.gz RHIZVDPJXUIIOI-UHFFFAOYSA-N 0 0 194.263 2.052 10 0 AEAERN CC(=O)c1ncc(C(C)C)s1 132387064 343897354 /nfs/dbraw/zinc/89/73/54/343897354.db2.gz SYBKMTITVKTFHO-UHFFFAOYSA-N 0 0 169.249 2.469 10 0 AEAERN CC[C@@](C)(O)c1cccc2c1OCC2 132393744 343897959 /nfs/dbraw/zinc/89/79/59/343897959.db2.gz VDUHHRWJXKQTOX-GFCCVEGCSA-N 0 0 192.258 2.239 10 0 AEAERN CC[C@](C)(O)c1cccc2c1OCC2 132393519 343897969 /nfs/dbraw/zinc/89/79/69/343897969.db2.gz VDUHHRWJXKQTOX-LBPRGKRZSA-N 0 0 192.258 2.239 10 0 AEAERN Nc1cccc(NC2CC=CC2)c1 132437066 343898190 /nfs/dbraw/zinc/89/81/90/343898190.db2.gz RXJDXHJAZSNKGH-UHFFFAOYSA-N 0 0 174.247 2.399 10 0 AEAERN C[C@@H](O)c1cccc2c1OCCC2 132411130 343898276 /nfs/dbraw/zinc/89/82/76/343898276.db2.gz HTAGQCMDBSYRRA-MRVPVSSYSA-N 0 0 178.231 2.065 10 0 AEAERN CC[C@H](O)c1cccc2c1OCC2 132411328 343898589 /nfs/dbraw/zinc/89/85/89/343898589.db2.gz QZILWFDFAPTKRA-JTQLQIEISA-N 0 0 178.231 2.065 10 0 AEAERN CC[C@@H](O)c1cccc2c1OCC2 132411508 343898523 /nfs/dbraw/zinc/89/85/23/343898523.db2.gz QZILWFDFAPTKRA-SNVBAGLBSA-N 0 0 178.231 2.065 10 0 AEAERN C[C@H](O)c1cccc2c1OCCC2 132410937 343898537 /nfs/dbraw/zinc/89/85/37/343898537.db2.gz HTAGQCMDBSYRRA-QMMMGPOBSA-N 0 0 178.231 2.065 10 0 AEAERN COc1cccn2c(C(C)C)cnc12 132417369 343898553 /nfs/dbraw/zinc/89/85/53/343898553.db2.gz NMTVUALCFUKMKD-UHFFFAOYSA-N 0 0 190.246 2.466 10 0 AEAERN CCn1ccc([C@H](O)C(F)(F)F)c1 132475513 343898896 /nfs/dbraw/zinc/89/88/96/343898896.db2.gz OJCPNJJJGHOXCV-ZETCQYMHSA-N 0 0 193.168 2.104 10 0 AEAERN CCn1ccc([C@@H](O)C(F)(F)F)c1 132475689 343898974 /nfs/dbraw/zinc/89/89/74/343898974.db2.gz OJCPNJJJGHOXCV-SSDOTTSWSA-N 0 0 193.168 2.104 10 0 AEAERN CCC(=O)c1cccc2c1OCC2 132449153 343899115 /nfs/dbraw/zinc/89/91/15/343899115.db2.gz NOANITGJRJMGEK-UHFFFAOYSA-N 0 0 176.215 2.214 10 0 AEAERN CCc1nc2c(F)cc(F)cc2[nH]1 132523244 343899468 /nfs/dbraw/zinc/89/94/68/343899468.db2.gz WGJSTMCMPXLTLB-UHFFFAOYSA-N 0 0 182.173 2.404 10 0 AEAERN Cc1cccc(-c2cc(N)no2)c1F 132518696 343899771 /nfs/dbraw/zinc/89/97/71/343899771.db2.gz UETNGSGFARLFOI-UHFFFAOYSA-N 0 0 192.193 2.371 10 0 AEAERN Cc1occc1C(=O)C1CC1 132547115 343900390 /nfs/dbraw/zinc/90/03/90/343900390.db2.gz APPRJCXRINFSKX-UHFFFAOYSA-N 0 0 150.177 2.181 10 0 AEAERN Cc1cnc(C(=O)CC2CCC2)nc1 132576302 343900740 /nfs/dbraw/zinc/90/07/40/343900740.db2.gz XOKKIWVYCOUANL-UHFFFAOYSA-N 0 0 190.246 2.158 10 0 AEAERN C[C@H](O)[C@@H](C)c1cccc2c1OCC2 132564151 343900779 /nfs/dbraw/zinc/90/07/79/343900779.db2.gz LCFGMASSSNHGCC-BDAKNGLRSA-N 0 0 192.258 2.106 10 0 AEAERN C[C@H](O)[C@H](C)c1cccc2c1OCC2 132564295 343900815 /nfs/dbraw/zinc/90/08/15/343900815.db2.gz LCFGMASSSNHGCC-IUCAKERBSA-N 0 0 192.258 2.106 10 0 AEAERN C[C@@H](c1cccc2c1OCC2)[C@@H](C)O 132563751 343900959 /nfs/dbraw/zinc/90/09/59/343900959.db2.gz LCFGMASSSNHGCC-RKDXNWHRSA-N 0 0 192.258 2.106 10 0 AEAERN Cc1cnc(C(=O)C(C)(C)C)nc1 132575195 343901011 /nfs/dbraw/zinc/90/10/11/343901011.db2.gz WCUDXCRMTQSPGW-UHFFFAOYSA-N 0 0 178.235 2.014 10 0 AEAERN C[C@@H](O)[C@H](C)c1cccc2c1OCC2 132563927 343901026 /nfs/dbraw/zinc/90/10/26/343901026.db2.gz LCFGMASSSNHGCC-DTWKUNHWSA-N 0 0 192.258 2.106 10 0 AEAERN Cc1cnc([C@H](O)C2CCCC2)nc1 132593814 343901371 /nfs/dbraw/zinc/90/13/71/343901371.db2.gz RHXPHFKEBURYBJ-SNVBAGLBSA-N 0 0 192.262 2.009 10 0 AEAERN Cc1cnc([C@@H](O)C2CCCC2)nc1 132594024 343901466 /nfs/dbraw/zinc/90/14/66/343901466.db2.gz RHXPHFKEBURYBJ-JTQLQIEISA-N 0 0 192.262 2.009 10 0 AEAERN CCc1cc(CC)n(C(F)F)n1 132628433 343901841 /nfs/dbraw/zinc/90/18/41/343901841.db2.gz AVPQBWASWYVYFT-UHFFFAOYSA-N 0 0 174.194 2.403 10 0 AEAERN Cc1cnc([C@@H](O)CC2CCC2)nc1 132623958 343901876 /nfs/dbraw/zinc/90/18/76/343901876.db2.gz CMVRNAWYYFYLAJ-JTQLQIEISA-N 0 0 192.262 2.009 10 0 AEAERN Cc1cnc([C@H](O)CC2CCC2)nc1 132623715 343901989 /nfs/dbraw/zinc/90/19/89/343901989.db2.gz CMVRNAWYYFYLAJ-SNVBAGLBSA-N 0 0 192.262 2.009 10 0 AEAERN CN[C@@H](C=C(C)C)c1ncc(C)cn1 132676294 343902600 /nfs/dbraw/zinc/90/26/00/343902600.db2.gz UFGFCEVQUJFDHC-JTQLQIEISA-N 0 0 191.278 2.012 10 0 AEAERN Nc1c(Cl)cccc1-n1cccn1 132676496 343902613 /nfs/dbraw/zinc/90/26/13/343902613.db2.gz FNICNLOVXVEKPZ-UHFFFAOYSA-N 0 0 193.637 2.108 10 0 AEAERN CCc1c(C(=O)OC)csc1C 132718696 343903143 /nfs/dbraw/zinc/90/31/43/343903143.db2.gz VLEAKYSUQYCRBM-UHFFFAOYSA-N 0 0 184.260 2.406 10 0 AEAERN Cc1cc([C@@H](NN)C(C)(C)C)c(C)o1 132768038 343903769 /nfs/dbraw/zinc/90/37/69/343903769.db2.gz PCJHNIAZMSZSOL-SNVBAGLBSA-N 0 0 196.294 2.447 10 0 AEAERN Cc1cc([C@H](NN)C(C)(C)C)c(C)o1 132767845 343903816 /nfs/dbraw/zinc/90/38/16/343903816.db2.gz PCJHNIAZMSZSOL-JTQLQIEISA-N 0 0 196.294 2.447 10 0 AEAERN Cc1nc([C@@H](NN)C(C)(C)C)cs1 132786635 343904193 /nfs/dbraw/zinc/90/41/93/343904193.db2.gz IQPLNNYXDRJTAV-MRVPVSSYSA-N 0 0 199.323 2.002 10 0 AEAERN Cc1cnccc1C(=O)C(C)C 132789176 343904195 /nfs/dbraw/zinc/90/41/95/343904195.db2.gz MDBSEUPYBMVONO-UHFFFAOYSA-N 0 0 163.220 2.229 10 0 AEAERN Cc1nc([C@H](NN)C(C)(C)C)cs1 132786437 343904283 /nfs/dbraw/zinc/90/42/83/343904283.db2.gz IQPLNNYXDRJTAV-QMMMGPOBSA-N 0 0 199.323 2.002 10 0 AEAERN Cc1cnccc1C(=O)c1ccoc1 132780540 343904356 /nfs/dbraw/zinc/90/43/56/343904356.db2.gz ZVPPEAJQOMMGHI-UHFFFAOYSA-N 0 0 187.198 2.214 10 0 AEAERN CCc1cnccc1C(=O)C1CC1 132807546 343904575 /nfs/dbraw/zinc/90/45/75/343904575.db2.gz MEJJBJLYXMQOPU-UHFFFAOYSA-N 0 0 175.231 2.237 10 0 AEAERN CCC[C@H]1CCC[C@](O)(CO)CC1 132801751 343904579 /nfs/dbraw/zinc/90/45/79/343904579.db2.gz VFINYTVIKGUISM-WDEREUQCSA-N 0 0 186.295 2.090 10 0 AEAERN Cc1ccc([C@@H](NN)C(C)(C)C)o1 132796110 343904620 /nfs/dbraw/zinc/90/46/20/343904620.db2.gz LEVQLQBBPBQHOQ-SECBINFHSA-N 0 0 182.267 2.139 10 0 AEAERN Cc1ccc([C@H](NN)C(C)(C)C)o1 132795892 343904804 /nfs/dbraw/zinc/90/48/04/343904804.db2.gz LEVQLQBBPBQHOQ-VIFPVBQESA-N 0 0 182.267 2.139 10 0 AEAERN CCC[C@H]1CCC[C@@](O)(CO)CC1 132802140 343904837 /nfs/dbraw/zinc/90/48/37/343904837.db2.gz VFINYTVIKGUISM-QWRGUYRKSA-N 0 0 186.295 2.090 10 0 AEAERN CCC[C@@H]1CCC[C@@](O)(CO)CC1 132801922 343904849 /nfs/dbraw/zinc/90/48/49/343904849.db2.gz VFINYTVIKGUISM-MNOVXSKESA-N 0 0 186.295 2.090 10 0 AEAERN CCC[C@@H]1CCC[C@](O)(CO)CC1 132801511 343904873 /nfs/dbraw/zinc/90/48/73/343904873.db2.gz VFINYTVIKGUISM-GHMZBOCLSA-N 0 0 186.295 2.090 10 0 AEAERN CC[C@H](C)[C@H](O)c1ccncc1C 132820165 343905215 /nfs/dbraw/zinc/90/52/15/343905215.db2.gz ATKMUFFDQAHBOO-KWQFWETISA-N 0 0 179.263 2.470 10 0 AEAERN C[C@H](NC(=O)C(F)(F)F)C(C)(C)C 132834630 343905239 /nfs/dbraw/zinc/90/52/39/343905239.db2.gz GQWXVNZQPVNPGR-YFKPBYRVSA-N 0 0 197.200 2.100 10 0 AEAERN CC[C@H](C)[C@@H](O)c1ccncc1C 132820567 343905281 /nfs/dbraw/zinc/90/52/81/343905281.db2.gz ATKMUFFDQAHBOO-GZMMTYOYSA-N 0 0 179.263 2.470 10 0 AEAERN CC[C@@H](C)[C@@H](O)c1ccncc1C 132820368 343905252 /nfs/dbraw/zinc/90/52/52/343905252.db2.gz ATKMUFFDQAHBOO-LDYMZIIASA-N 0 0 179.263 2.470 10 0 AEAERN CC[C@@H](C)[C@H](O)c1ccncc1C 132819970 343905255 /nfs/dbraw/zinc/90/52/55/343905255.db2.gz ATKMUFFDQAHBOO-KCJUWKMLSA-N 0 0 179.263 2.470 10 0 AEAERN C[C@@H](NC(=O)C(F)(F)F)C(C)(C)C 132834812 343905289 /nfs/dbraw/zinc/90/52/89/343905289.db2.gz GQWXVNZQPVNPGR-RXMQYKEDSA-N 0 0 197.200 2.100 10 0 AEAERN Cc1cnccc1[C@@H](O)c1ccco1 132845289 343905689 /nfs/dbraw/zinc/90/56/89/343905689.db2.gz DSLYFHSMPFFSBC-LLVKDONJSA-N 0 0 189.214 2.065 10 0 AEAERN Cc1cnccc1[C@H](O)C(C)(C)C 132848730 343905721 /nfs/dbraw/zinc/90/57/21/343905721.db2.gz KEEHUEHTCSXSTC-JTQLQIEISA-N 0 0 179.263 2.470 10 0 AEAERN Cc1cnccc1[C@H](O)c1ccoc1 132843353 343905742 /nfs/dbraw/zinc/90/57/42/343905742.db2.gz ZPHLWNQIWMDQAK-LLVKDONJSA-N 0 0 189.214 2.065 10 0 AEAERN Cc1cnccc1[C@@H](O)c1ccoc1 132843557 343905771 /nfs/dbraw/zinc/90/57/71/343905771.db2.gz ZPHLWNQIWMDQAK-NSHDSACASA-N 0 0 189.214 2.065 10 0 AEAERN Cc1cnccc1[C@@H](O)C(C)(C)C 132848932 343905796 /nfs/dbraw/zinc/90/57/96/343905796.db2.gz KEEHUEHTCSXSTC-SNVBAGLBSA-N 0 0 179.263 2.470 10 0 AEAERN Cc1cnccc1[C@H](O)c1ccco1 132845084 343905864 /nfs/dbraw/zinc/90/58/64/343905864.db2.gz DSLYFHSMPFFSBC-NSHDSACASA-N 0 0 189.214 2.065 10 0 AEAERN CCc1cnccc1[C@H](O)C(C)C 132865418 343906197 /nfs/dbraw/zinc/90/61/97/343906197.db2.gz IGDUFJNOENHLPE-LLVKDONJSA-N 0 0 179.263 2.333 10 0 AEAERN CCc1cnccc1[C@@H](O)C(C)C 132865617 343906302 /nfs/dbraw/zinc/90/63/02/343906302.db2.gz IGDUFJNOENHLPE-NSHDSACASA-N 0 0 179.263 2.333 10 0 AEAERN C/C=C/C(=O)Nc1cc(Cl)ccn1 132931944 343907695 /nfs/dbraw/zinc/90/76/95/343907695.db2.gz ITWZSZJVQOXUSE-NSCUHMNNSA-N 0 0 196.637 2.250 10 0 AEAERN Cc1ccc(N)c(S[C@H](C)CO)c1 132936711 343907708 /nfs/dbraw/zinc/90/77/08/343907708.db2.gz LNLUNZOZCYXUFG-MRVPVSSYSA-N 0 0 197.303 2.050 10 0 AEAERN Cc1ccc(N)c(S[C@@H](C)CO)c1 132936562 343907865 /nfs/dbraw/zinc/90/78/65/343907865.db2.gz LNLUNZOZCYXUFG-QMMMGPOBSA-N 0 0 197.303 2.050 10 0 AEAERN CCCCC[C@@H](C)NOC 132963411 343908637 /nfs/dbraw/zinc/90/86/37/343908637.db2.gz UHYBBALRRIHHGT-MRVPVSSYSA-N 0 0 145.246 2.106 10 0 AEAERN C[C@@H]1O[C@H](C)Cc2c(N)csc21 132971530 343908642 /nfs/dbraw/zinc/90/86/42/343908642.db2.gz RSNXEJADSVBPGR-RITPCOANSA-N 0 0 183.276 2.353 10 0 AEAERN C[C@@H]1Cc2c(N)csc2[C@@H](C)O1 132971910 343908681 /nfs/dbraw/zinc/90/86/81/343908681.db2.gz RSNXEJADSVBPGR-PHDIDXHHSA-N 0 0 183.276 2.353 10 0 AEAERN C[C@H]1Cc2c(N)csc2[C@H](C)O1 132971726 343908756 /nfs/dbraw/zinc/90/87/56/343908756.db2.gz RSNXEJADSVBPGR-WDSKDSINSA-N 0 0 183.276 2.353 10 0 AEAERN CON[C@@H](C)c1cc(C)oc1C 132964184 343908971 /nfs/dbraw/zinc/90/89/71/343908971.db2.gz UKDZUWYPZFJAGT-ZETCQYMHSA-N 0 0 169.224 2.108 10 0 AEAERN CON[C@H]1CCCCC1(C)C 132968669 343908993 /nfs/dbraw/zinc/90/89/93/343908993.db2.gz VKRZYLOJRMJIOC-QMMMGPOBSA-N 0 0 157.257 2.106 10 0 AEAERN CCCCC[C@H](C)NOC 132963601 343909011 /nfs/dbraw/zinc/90/90/11/343909011.db2.gz UHYBBALRRIHHGT-QMMMGPOBSA-N 0 0 145.246 2.106 10 0 AEAERN CON[C@H](C)c1cc(C)oc1C 132963988 343909015 /nfs/dbraw/zinc/90/90/15/343909015.db2.gz UKDZUWYPZFJAGT-SSDOTTSWSA-N 0 0 169.224 2.108 10 0 AEAERN C[C@H]1Cc2c(N)csc2[C@@H](C)O1 132972082 343909024 /nfs/dbraw/zinc/90/90/24/343909024.db2.gz RSNXEJADSVBPGR-NTSWFWBYSA-N 0 0 183.276 2.353 10 0 AEAERN Nc1csc2c1CCSC2 132964439 343909031 /nfs/dbraw/zinc/90/90/31/343909031.db2.gz YHPQYDXKENUDHU-UHFFFAOYSA-N 0 0 171.290 2.120 10 0 AEAERN CON[C@@H]1CCC[C@H](C)CC1 132987119 343909191 /nfs/dbraw/zinc/90/91/91/343909191.db2.gz XAXQIRVGADFIBD-DTWKUNHWSA-N 0 0 157.257 2.106 10 0 AEAERN C[C@H]1CCc2scc(N)c21 132976407 343909195 /nfs/dbraw/zinc/90/91/95/343909195.db2.gz QFRNONPOPYAHLL-YFKPBYRVSA-N 0 0 153.250 2.380 10 0 AEAERN CON[C@H]1CCC[C@@H](C)CC1 132986531 343909196 /nfs/dbraw/zinc/90/91/96/343909196.db2.gz XAXQIRVGADFIBD-BDAKNGLRSA-N 0 0 157.257 2.106 10 0 AEAERN C[C@H]1CCc2c(N)csc2C1 132977443 343909198 /nfs/dbraw/zinc/90/91/98/343909198.db2.gz URIJXLLOKSBZMB-LURJTMIESA-N 0 0 167.277 2.455 10 0 AEAERN CCc1scc(N)c1C 132979500 343909199 /nfs/dbraw/zinc/90/91/99/343909199.db2.gz QAEUGUKXYSJUKI-UHFFFAOYSA-N 0 0 141.239 2.201 10 0 AEAERN CON[C@H]1CCC[C@H](C)CC1 132986747 343909202 /nfs/dbraw/zinc/90/92/02/343909202.db2.gz XAXQIRVGADFIBD-IUCAKERBSA-N 0 0 157.257 2.106 10 0 AEAERN CON[C@H]1CCCC(C)(C)C1 132987339 343909239 /nfs/dbraw/zinc/90/92/39/343909239.db2.gz FDYFUGRHPSLRQA-QMMMGPOBSA-N 0 0 157.257 2.106 10 0 AEAERN C[C@@H]1CCc2scc(N)c21 132976212 343909243 /nfs/dbraw/zinc/90/92/43/343909243.db2.gz QFRNONPOPYAHLL-RXMQYKEDSA-N 0 0 153.250 2.380 10 0 AEAERN CON[C@@H]1CCCC(C)(C)CC1 132975612 343909334 /nfs/dbraw/zinc/90/93/34/343909334.db2.gz QYWIGIRSIJJFEX-SECBINFHSA-N 0 0 171.284 2.496 10 0 AEAERN CON[C@H]1CCC[C@@H](C2CC2)C1 132985456 343909339 /nfs/dbraw/zinc/90/93/39/343909339.db2.gz RKXJZSIKFXWAPR-ZJUUUORDSA-N 0 0 169.268 2.106 10 0 AEAERN CC1(c2cscc2N)CC1 132979686 343909347 /nfs/dbraw/zinc/90/93/47/343909347.db2.gz QRDMMZATWPKHBH-UHFFFAOYSA-N 0 0 153.250 2.382 10 0 AEAERN CON[C@H]1CCCC(C)(C)CC1 132975419 343909374 /nfs/dbraw/zinc/90/93/74/343909374.db2.gz QYWIGIRSIJJFEX-VIFPVBQESA-N 0 0 171.284 2.496 10 0 AEAERN CON[C@@H]1CCCC(C)(C)C1 132987570 343909382 /nfs/dbraw/zinc/90/93/82/343909382.db2.gz FDYFUGRHPSLRQA-MRVPVSSYSA-N 0 0 157.257 2.106 10 0 AEAERN CON[C@@H]1CCC[C@H](C2CC2)C1 132984839 343909406 /nfs/dbraw/zinc/90/94/06/343909406.db2.gz RKXJZSIKFXWAPR-VHSXEESVSA-N 0 0 169.268 2.106 10 0 AEAERN CON[C@@H]1CCC[C@@H](C)CC1 132986927 343909426 /nfs/dbraw/zinc/90/94/26/343909426.db2.gz XAXQIRVGADFIBD-RKDXNWHRSA-N 0 0 157.257 2.106 10 0 AEAERN C[C@@H]1CCc2c(N)csc2C1 132977228 343909552 /nfs/dbraw/zinc/90/95/52/343909552.db2.gz URIJXLLOKSBZMB-ZCFIWIBFSA-N 0 0 167.277 2.455 10 0 AEAERN CON[C@@H]1CCC[C@@H](C2CC2)C1 132985246 343909486 /nfs/dbraw/zinc/90/94/86/343909486.db2.gz RKXJZSIKFXWAPR-NXEZZACHSA-N 0 0 169.268 2.106 10 0 AEAERN Cc1ccoc1C(=O)C1CC1 132982493 343909531 /nfs/dbraw/zinc/90/95/31/343909531.db2.gz ATQZLMJPCGAVPX-UHFFFAOYSA-N 0 0 150.177 2.181 10 0 AEAERN CON[C@H](C)c1ccc(C)s1 132990666 343909538 /nfs/dbraw/zinc/90/95/38/343909538.db2.gz RNYLAWLEXGXGQP-SSDOTTSWSA-N 0 0 171.265 2.269 10 0 AEAERN CON[C@H]1CCC[C@H](C2CC2)C1 132985043 343909568 /nfs/dbraw/zinc/90/95/68/343909568.db2.gz RKXJZSIKFXWAPR-UWVGGRQHSA-N 0 0 169.268 2.106 10 0 AEAERN CON[C@@H](C)c1ccc(C)s1 132990832 343909572 /nfs/dbraw/zinc/90/95/72/343909572.db2.gz RNYLAWLEXGXGQP-ZETCQYMHSA-N 0 0 171.265 2.269 10 0 AEAERN Nc1c(Cl)sc2c1CCOC2 132995784 343909694 /nfs/dbraw/zinc/90/96/94/343909694.db2.gz ICQZOJMAFUJYHB-UHFFFAOYSA-N 0 0 189.667 2.056 10 0 AEAERN Nc1c(Cl)sc2c1CCC2 132994907 343909758 /nfs/dbraw/zinc/90/97/58/343909758.db2.gz WYCNWSRKCOTCAK-UHFFFAOYSA-N 0 0 173.668 2.472 10 0 AEAERN COCc1sc(Cl)c(N)c1C 133001793 343909797 /nfs/dbraw/zinc/90/97/97/343909797.db2.gz ROBUMEUCUINSPO-UHFFFAOYSA-N 0 0 191.683 2.439 10 0 AEAERN CON[C@H]1CCCc2sccc21 133007155 343909886 /nfs/dbraw/zinc/90/98/86/343909886.db2.gz BVYHOOYWVIIXBS-QMMMGPOBSA-N 0 0 183.276 2.277 10 0 AEAERN Cc1cc(N)c(Cl)s1 132991817 343909905 /nfs/dbraw/zinc/90/99/05/343909905.db2.gz SESPKGJZNCUICP-UHFFFAOYSA-N 0 0 147.630 2.292 10 0 AEAERN CONC1CCC(C)(C)CC1 133010477 343909922 /nfs/dbraw/zinc/90/99/22/343909922.db2.gz UPXDCCBWYLWYMY-UHFFFAOYSA-N 0 0 157.257 2.106 10 0 AEAERN CON[C@@H]1CCCc2sccc21 133006942 343909952 /nfs/dbraw/zinc/90/99/52/343909952.db2.gz BVYHOOYWVIIXBS-MRVPVSSYSA-N 0 0 183.276 2.277 10 0 AEAERN CON[C@@H](C)c1ccc(C)cc1 133029323 343910353 /nfs/dbraw/zinc/91/03/53/343910353.db2.gz QLZRHMRLFFHCOF-VIFPVBQESA-N 0 0 165.236 2.207 10 0 AEAERN CONCc1cc(Cl)cs1 133024861 343910436 /nfs/dbraw/zinc/91/04/36/343910436.db2.gz XSCHWNMJLNXIOK-UHFFFAOYSA-N 0 0 177.656 2.053 10 0 AEAERN CON[C@H](C)c1ccc(C)cc1 133029148 343910474 /nfs/dbraw/zinc/91/04/74/343910474.db2.gz QLZRHMRLFFHCOF-SECBINFHSA-N 0 0 165.236 2.207 10 0 AEAERN Cc1c[nH]c(-c2ccncc2C)n1 133022850 343910515 /nfs/dbraw/zinc/91/05/15/343910515.db2.gz OUFSCPMOJGWFEE-UHFFFAOYSA-N 0 0 173.219 2.089 10 0 AEAERN CCc1cnccc1-c1ncc[nH]1 133022186 343910588 /nfs/dbraw/zinc/91/05/88/343910588.db2.gz RKIWFESGTRNTBZ-UHFFFAOYSA-N 0 0 173.219 2.034 10 0 AEAERN Cc1cnccc1-c1noc(Cl)n1 133020442 343910646 /nfs/dbraw/zinc/91/06/46/343910646.db2.gz PCGNPCPIMRUJKL-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN 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/nfs/dbraw/zinc/93/16/01/343931601.db2.gz GSIXIGJPWLKEOJ-UHFFFAOYSA-N 0 0 143.211 2.087 10 0 AEAERN Cc1ccc([C@H](C)NN(C)C)c(C)c1 134041448 343932205 /nfs/dbraw/zinc/93/22/05/343932205.db2.gz ZBQTWGQOSKZMMC-NSHDSACASA-N 0 0 192.306 2.431 10 0 AEAERN Cc1ccc([C@@H](C)NN(C)C)c(C)c1 134041239 343932262 /nfs/dbraw/zinc/93/22/62/343932262.db2.gz ZBQTWGQOSKZMMC-LLVKDONJSA-N 0 0 192.306 2.431 10 0 AEAERN CC[C@H](C)SCC[C@@H](C)O 134070210 343932698 /nfs/dbraw/zinc/93/26/98/343932698.db2.gz JYGAINKEHLEINX-SFYZADRCSA-N 0 0 162.298 2.289 10 0 AEAERN CC[C@@H](C)SCC[C@@H](C)O 134070018 343932749 /nfs/dbraw/zinc/93/27/49/343932749.db2.gz JYGAINKEHLEINX-HTQZYQBOSA-N 0 0 162.298 2.289 10 0 AEAERN Cc1ccccc1[C@H](C)NN(C)C 134066552 343932762 /nfs/dbraw/zinc/93/27/62/343932762.db2.gz YJEZMBRFWYYNNP-JTQLQIEISA-N 0 0 178.279 2.122 10 0 AEAERN Cc1ccc2c(c1)[C@@H](NN(C)C)CC2 134069270 343932773 /nfs/dbraw/zinc/93/27/73/343932773.db2.gz FQPRSLZTYDDHNE-LBPRGKRZSA-N 0 0 190.290 2.049 10 0 AEAERN Cc1cccnc1N[C@@H]1CCSC1 134054197 343932816 /nfs/dbraw/zinc/93/28/16/343932816.db2.gz GFQIVVZRSVGRSI-SECBINFHSA-N 0 0 194.303 2.307 10 0 AEAERN C[C@@H](O)CCSC(C)(C)C 134069810 343932856 /nfs/dbraw/zinc/93/28/56/343932856.db2.gz IFJQVHFZIQHONW-SSDOTTSWSA-N 0 0 162.298 2.289 10 0 AEAERN Cc1cccnc1N[C@H]1CCSC1 134054391 343932961 /nfs/dbraw/zinc/93/29/61/343932961.db2.gz GFQIVVZRSVGRSI-VIFPVBQESA-N 0 0 194.303 2.307 10 0 AEAERN Cc1ccccc1[C@@H](C)NN(C)C 134066379 343932969 /nfs/dbraw/zinc/93/29/69/343932969.db2.gz YJEZMBRFWYYNNP-SNVBAGLBSA-N 0 0 178.279 2.122 10 0 AEAERN CC[C@@H](C)SCC[C@H](C)O 134070380 343933016 /nfs/dbraw/zinc/93/30/16/343933016.db2.gz JYGAINKEHLEINX-JGVFFNPUSA-N 0 0 162.298 2.289 10 0 AEAERN Cc1ccc2c(c1)[C@H](NN(C)C)CC2 134069081 343933020 /nfs/dbraw/zinc/93/30/20/343933020.db2.gz FQPRSLZTYDDHNE-GFCCVEGCSA-N 0 0 190.290 2.049 10 0 AEAERN C[C@H](O)CCSC(C)(C)C 134069576 343933050 /nfs/dbraw/zinc/93/30/50/343933050.db2.gz IFJQVHFZIQHONW-ZETCQYMHSA-N 0 0 162.298 2.289 10 0 AEAERN CC[C@H](C)SCC[C@H](C)O 134070581 343933078 /nfs/dbraw/zinc/93/30/78/343933078.db2.gz JYGAINKEHLEINX-YUMQZZPRSA-N 0 0 162.298 2.289 10 0 AEAERN C[C@H](O)CCSC1CCCC1 134099638 343933227 /nfs/dbraw/zinc/93/32/27/343933227.db2.gz DEFZQSXDCFQECU-QMMMGPOBSA-N 0 0 174.309 2.433 10 0 AEAERN CN(C)N[C@H]1CCCC(C)(C)CC1 134084785 343933271 /nfs/dbraw/zinc/93/32/71/343933271.db2.gz APPBESQKICSIME-JTQLQIEISA-N 0 0 184.327 2.412 10 0 AEAERN CC[C@@H]1CCCC[C@H]1NN(C)C 134097566 343933284 /nfs/dbraw/zinc/93/32/84/343933284.db2.gz WAIGPDQCGLXKPO-NXEZZACHSA-N 0 0 170.300 2.021 10 0 AEAERN Cc1cc([C@H](C)NN(C)C)c(C)o1 134094006 343933308 /nfs/dbraw/zinc/93/33/08/343933308.db2.gz OPLGXBOTOISVGG-QMMMGPOBSA-N 0 0 182.267 2.024 10 0 AEAERN CC[C@@H]1CCCC[C@@H]1NN(C)C 134097164 343933425 /nfs/dbraw/zinc/93/34/25/343933425.db2.gz WAIGPDQCGLXKPO-ZJUUUORDSA-N 0 0 170.300 2.021 10 0 AEAERN Cc1cc([C@@H](C)NN(C)C)c(C)o1 134093824 343933463 /nfs/dbraw/zinc/93/34/63/343933463.db2.gz OPLGXBOTOISVGG-MRVPVSSYSA-N 0 0 182.267 2.024 10 0 AEAERN CN(C)N[C@@H]1CCCC(C)(C)CC1 134084975 343933520 /nfs/dbraw/zinc/93/35/20/343933520.db2.gz APPBESQKICSIME-SNVBAGLBSA-N 0 0 184.327 2.412 10 0 AEAERN C[C@@H](O)CCSC1CCCC1 134099869 343933545 /nfs/dbraw/zinc/93/35/45/343933545.db2.gz DEFZQSXDCFQECU-MRVPVSSYSA-N 0 0 174.309 2.433 10 0 AEAERN CC[C@H]1CCCC[C@H]1NN(C)C 134097743 343933601 /nfs/dbraw/zinc/93/36/01/343933601.db2.gz WAIGPDQCGLXKPO-VHSXEESVSA-N 0 0 170.300 2.021 10 0 AEAERN Cc1cc(C)cc([C@@H](C)NN(C)C)c1 134103829 343933841 /nfs/dbraw/zinc/93/38/41/343933841.db2.gz PPHILPHJRSIYIK-LLVKDONJSA-N 0 0 192.306 2.431 10 0 AEAERN C[C@@H]1CCC[C@@H](NN(C)C)CC1 134122200 343933931 /nfs/dbraw/zinc/93/39/31/343933931.db2.gz IHMMJECLECSUPV-NXEZZACHSA-N 0 0 170.300 2.021 10 0 AEAERN CN(C)N[C@H]1CCCC(C)(C)C1 134102327 343933962 /nfs/dbraw/zinc/93/39/62/343933962.db2.gz ZEBUYGDEOBBYKQ-VIFPVBQESA-N 0 0 170.300 2.021 10 0 AEAERN CC(C)C[C@@H](O)c1ncccc1F 134113701 343934031 /nfs/dbraw/zinc/93/40/31/343934031.db2.gz HGALNJSWBMDDMI-SECBINFHSA-N 0 0 183.226 2.300 10 0 AEAERN C[C@@H]1CCC[C@H](NN(C)C)CC1 134121807 343934105 /nfs/dbraw/zinc/93/41/05/343934105.db2.gz IHMMJECLECSUPV-ZJUUUORDSA-N 0 0 170.300 2.021 10 0 AEAERN CN(C)N[C@@H]1CCCC(C)(C)C1 134102546 343934128 /nfs/dbraw/zinc/93/41/28/343934128.db2.gz ZEBUYGDEOBBYKQ-SECBINFHSA-N 0 0 170.300 2.021 10 0 AEAERN C[C@H]1CCC[C@H](NN(C)C)CC1 134122009 343934131 /nfs/dbraw/zinc/93/41/31/343934131.db2.gz IHMMJECLECSUPV-UWVGGRQHSA-N 0 0 170.300 2.021 10 0 AEAERN Cc1cc(C)cc([C@H](C)NN(C)C)c1 134104014 343934149 /nfs/dbraw/zinc/93/41/49/343934149.db2.gz PPHILPHJRSIYIK-NSHDSACASA-N 0 0 192.306 2.431 10 0 AEAERN CC(C)C[C@H](O)c1ncccc1F 134113504 343934182 /nfs/dbraw/zinc/93/41/82/343934182.db2.gz HGALNJSWBMDDMI-VIFPVBQESA-N 0 0 183.226 2.300 10 0 AEAERN C[C@H]1CCC[C@@H](NN(C)C)CC1 134122399 343934214 /nfs/dbraw/zinc/93/42/14/343934214.db2.gz IHMMJECLECSUPV-VHSXEESVSA-N 0 0 170.300 2.021 10 0 AEAERN Cc1ccc([C@H](C)NN(C)C)s1 134147521 343934924 /nfs/dbraw/zinc/93/49/24/343934924.db2.gz XSTFWEIXZNYKAR-QMMMGPOBSA-N 0 0 184.308 2.184 10 0 AEAERN Cc1ccc([C@@H](C)NN(C)C)s1 134147331 343934998 /nfs/dbraw/zinc/93/49/98/343934998.db2.gz XSTFWEIXZNYKAR-MRVPVSSYSA-N 0 0 184.308 2.184 10 0 AEAERN O=C1CCCN(CC2CCCCC2)C1 134149590 343935023 /nfs/dbraw/zinc/93/50/23/343935023.db2.gz OXVRMLVZLVJSLM-UHFFFAOYSA-N 0 0 195.306 2.232 10 0 AEAERN Cc1cc(C)c(CNN(C)C)c(C)c1 134173040 343935658 /nfs/dbraw/zinc/93/56/58/343935658.db2.gz AEUTWXLGJMYEDW-UHFFFAOYSA-N 0 0 192.306 2.178 10 0 AEAERN CC[C@H]1CCC[C@H](NN(C)C)C1 134161290 343935678 /nfs/dbraw/zinc/93/56/78/343935678.db2.gz GDNONDDLOYOBLS-UWVGGRQHSA-N 0 0 170.300 2.021 10 0 AEAERN CC[C@@H]1CCC[C@H](NN(C)C)C1 134161098 343935682 /nfs/dbraw/zinc/93/56/82/343935682.db2.gz GDNONDDLOYOBLS-ZJUUUORDSA-N 0 0 170.300 2.021 10 0 AEAERN CC[C@H]1CCC[C@@H](NN(C)C)C1 134161705 343935768 /nfs/dbraw/zinc/93/57/68/343935768.db2.gz GDNONDDLOYOBLS-VHSXEESVSA-N 0 0 170.300 2.021 10 0 AEAERN CC1CCC(N2CCCC(=O)C2)CC1 134191572 343936146 /nfs/dbraw/zinc/93/61/46/343936146.db2.gz JQERKDNIEYHMBS-UHFFFAOYSA-N 0 0 195.306 2.230 10 0 AEAERN Cc1cc([C@@H](C)NN(C)C)c(C)s1 134191194 343936160 /nfs/dbraw/zinc/93/61/60/343936160.db2.gz IOKJAHUMUVEKNQ-MRVPVSSYSA-N 0 0 198.335 2.492 10 0 AEAERN Cc1cc([C@H](C)NN(C)C)c(C)s1 134191388 343936172 /nfs/dbraw/zinc/93/61/72/343936172.db2.gz IOKJAHUMUVEKNQ-QMMMGPOBSA-N 0 0 198.335 2.492 10 0 AEAERN Cc1ccc(C)c([C@@H](C)NN(C)C)c1 134210056 343936270 /nfs/dbraw/zinc/93/62/70/343936270.db2.gz RTYGQAPNYMHRTL-LLVKDONJSA-N 0 0 192.306 2.431 10 0 AEAERN C[C@@H](NN(C)C)c1cccc(Cl)c1 134206648 343936284 /nfs/dbraw/zinc/93/62/84/343936284.db2.gz QFHCJAHSRDOBKV-MRVPVSSYSA-N 0 0 198.697 2.467 10 0 AEAERN CN(C)N[C@H]1CCC[C@H](C2CC2)C1 134200424 343936298 /nfs/dbraw/zinc/93/62/98/343936298.db2.gz IQHQAZDCLBNDBG-QWRGUYRKSA-N 0 0 182.311 2.021 10 0 AEAERN CC(C)(C)CCN1CCCC(=O)C1 134203286 343936350 /nfs/dbraw/zinc/93/63/50/343936350.db2.gz SUKRPHSJPACDII-UHFFFAOYSA-N 0 0 183.295 2.088 10 0 AEAERN CC(=O)c1ccc(N(C)C(C)C)cn1 134210154 343936524 /nfs/dbraw/zinc/93/65/24/343936524.db2.gz UVUIJBIWXQEUFS-UHFFFAOYSA-N 0 0 192.262 2.129 10 0 AEAERN CN(C)N[C@@H]1CCC[C@H](C2CC2)C1 134200309 343936545 /nfs/dbraw/zinc/93/65/45/343936545.db2.gz IQHQAZDCLBNDBG-WDEREUQCSA-N 0 0 182.311 2.021 10 0 AEAERN Cc1ccc(C)c([C@H](C)NN(C)C)c1 134210164 343936579 /nfs/dbraw/zinc/93/65/79/343936579.db2.gz RTYGQAPNYMHRTL-NSHDSACASA-N 0 0 192.306 2.431 10 0 AEAERN Cc1ccc([C@@H](C)NN(C)C)cc1C 134206767 343936603 /nfs/dbraw/zinc/93/66/03/343936603.db2.gz FUXGHXLAPXQALH-LLVKDONJSA-N 0 0 192.306 2.431 10 0 AEAERN CCC1CCC(NN(C)C)CC1 134205732 343936606 /nfs/dbraw/zinc/93/66/06/343936606.db2.gz ILGSAWAPSRZEMS-UHFFFAOYSA-N 0 0 170.300 2.021 10 0 AEAERN C[C@H](NN(C)C)c1cccc(Cl)c1 134206548 343936614 /nfs/dbraw/zinc/93/66/14/343936614.db2.gz QFHCJAHSRDOBKV-QMMMGPOBSA-N 0 0 198.697 2.467 10 0 AEAERN Cc1ccc([C@H](C)NN(C)C)cc1C 134206883 343936616 /nfs/dbraw/zinc/93/66/16/343936616.db2.gz FUXGHXLAPXQALH-NSHDSACASA-N 0 0 192.306 2.431 10 0 AEAERN CN(C)N[C@H]1CCC[C@@H](C2CC2)C1 134200638 343936632 /nfs/dbraw/zinc/93/66/32/343936632.db2.gz IQHQAZDCLBNDBG-MNOVXSKESA-N 0 0 182.311 2.021 10 0 AEAERN CN(C)N[C@@H]1CCC[C@@H](C2CC2)C1 134200544 343936650 /nfs/dbraw/zinc/93/66/50/343936650.db2.gz IQHQAZDCLBNDBG-GHMZBOCLSA-N 0 0 182.311 2.021 10 0 AEAERN CONC1CC(c2ccccc2F)C1 134233551 343937256 /nfs/dbraw/zinc/93/72/56/343937256.db2.gz MJKXWSVHVWEOSE-UHFFFAOYSA-N 0 0 195.237 2.223 10 0 AEAERN CONC1CC(c2ccccc2)C1 134235912 343937306 /nfs/dbraw/zinc/93/73/06/343937306.db2.gz LCRPPMBSZWMRKT-UHFFFAOYSA-N 0 0 177.247 2.084 10 0 AEAERN CON[C@@H](C)c1c(C)cc(C)nc1C 134230747 343937383 /nfs/dbraw/zinc/93/73/83/343937383.db2.gz YPTUJWBMCXFKLH-JTQLQIEISA-N 0 0 194.278 2.219 10 0 AEAERN CONC1CC(c2cccc(C)c2)C1 134233614 343937388 /nfs/dbraw/zinc/93/73/88/343937388.db2.gz BWUCODYBRWDNEN-UHFFFAOYSA-N 0 0 191.274 2.392 10 0 AEAERN CONCc1cc(C)c(C)cc1C 134233948 343937418 /nfs/dbraw/zinc/93/74/18/343937418.db2.gz XDIWQHMKQUKCIS-UHFFFAOYSA-N 0 0 179.263 2.263 10 0 AEAERN CON[C@H](C)c1c(C)cc(C)nc1C 134230725 343937441 /nfs/dbraw/zinc/93/74/41/343937441.db2.gz YPTUJWBMCXFKLH-SNVBAGLBSA-N 0 0 194.278 2.219 10 0 AEAERN CONC1CCC(C(F)(F)F)CC1 134236688 343937456 /nfs/dbraw/zinc/93/74/56/343937456.db2.gz DTNQPWZUXSAQKH-UHFFFAOYSA-N 0 0 197.200 2.259 10 0 AEAERN CONC1CC(c2ccccc2C)C1 134230433 343937531 /nfs/dbraw/zinc/93/75/31/343937531.db2.gz LGQYYCROTFFLIX-UHFFFAOYSA-N 0 0 191.274 2.392 10 0 AEAERN CCON[C@@H]1CCOc2ccccc21 134258894 343937755 /nfs/dbraw/zinc/93/77/55/343937755.db2.gz FRUMMWIRPROJRI-SNVBAGLBSA-N 0 0 193.246 2.051 10 0 AEAERN CCON[C@@H]1CCc2ccccc2C1 134249990 343937859 /nfs/dbraw/zinc/93/78/59/343937859.db2.gz NOLXZJGPOXDODK-GFCCVEGCSA-N 0 0 191.274 2.085 10 0 AEAERN CONC1CC(c2ccc(F)cc2)C1 134241453 343937877 /nfs/dbraw/zinc/93/78/77/343937877.db2.gz LKNXZSDWCUSBRJ-UHFFFAOYSA-N 0 0 195.237 2.223 10 0 AEAERN CON[C@@H](C)c1cc(F)cc(F)c1 134244201 343937885 /nfs/dbraw/zinc/93/78/85/343937885.db2.gz MTMQAROAGREXEO-LURJTMIESA-N 0 0 187.189 2.177 10 0 AEAERN CCON[C@H]1CCc2ccccc21 134260882 343937888 /nfs/dbraw/zinc/93/78/88/343937888.db2.gz GMWVKLJBWPFPJR-NSHDSACASA-N 0 0 177.247 2.215 10 0 AEAERN CCON[C@@H]1CCc2ccccc21 134260862 343937894 /nfs/dbraw/zinc/93/78/94/343937894.db2.gz GMWVKLJBWPFPJR-LLVKDONJSA-N 0 0 177.247 2.215 10 0 AEAERN CCON[C@@H]1CSc2ccccc21 134248319 343937897 /nfs/dbraw/zinc/93/78/97/343937897.db2.gz UFHUTHCJFXLRRS-SECBINFHSA-N 0 0 195.287 2.375 10 0 AEAERN CON[C@H](C)c1ccc(C)c(F)c1 134238681 343937900 /nfs/dbraw/zinc/93/79/00/343937900.db2.gz JWVIFIVSFQBZJB-MRVPVSSYSA-N 0 0 183.226 2.346 10 0 AEAERN CCON[C@H]1CCOc2ccccc21 134258913 343937929 /nfs/dbraw/zinc/93/79/29/343937929.db2.gz FRUMMWIRPROJRI-JTQLQIEISA-N 0 0 193.246 2.051 10 0 AEAERN CON[C@@H](C)c1ccc(C)c(F)c1 134238701 343937936 /nfs/dbraw/zinc/93/79/36/343937936.db2.gz JWVIFIVSFQBZJB-QMMMGPOBSA-N 0 0 183.226 2.346 10 0 AEAERN CCON[C@H]1CSc2ccccc21 134248344 343938009 /nfs/dbraw/zinc/93/80/09/343938009.db2.gz UFHUTHCJFXLRRS-VIFPVBQESA-N 0 0 195.287 2.375 10 0 AEAERN CCONC1C2CC3CC(C2)CC1C3 134259104 343938047 /nfs/dbraw/zinc/93/80/47/343938047.db2.gz ORDTWDPPWKHWQD-UHFFFAOYSA-N 0 0 195.306 2.352 10 0 AEAERN CON[C@H](C)c1cc(F)cc(F)c1 134244225 343938057 /nfs/dbraw/zinc/93/80/57/343938057.db2.gz MTMQAROAGREXEO-ZCFIWIBFSA-N 0 0 187.189 2.177 10 0 AEAERN CCON[C@H]1CCc2ccccc2C1 134250011 343938064 /nfs/dbraw/zinc/93/80/64/343938064.db2.gz NOLXZJGPOXDODK-LBPRGKRZSA-N 0 0 191.274 2.085 10 0 AEAERN CONC1CC(c2ccc(C)cc2)C1 134239463 343938088 /nfs/dbraw/zinc/93/80/88/343938088.db2.gz HQMDQVNOVFAULS-UHFFFAOYSA-N 0 0 191.274 2.392 10 0 AEAERN CCON[C@H]1CCCc2occc21 134256286 343938103 /nfs/dbraw/zinc/93/81/03/343938103.db2.gz DVWPRZSFIMRNPK-VIFPVBQESA-N 0 0 181.235 2.198 10 0 AEAERN CCON[C@@H]1CCCc2occc21 134256266 343938126 /nfs/dbraw/zinc/93/81/26/343938126.db2.gz DVWPRZSFIMRNPK-SECBINFHSA-N 0 0 181.235 2.198 10 0 AEAERN C[C@@H](Nc1ccnn1C)C1(C)CC1 134300993 343939116 /nfs/dbraw/zinc/93/91/16/343939116.db2.gz ZJEQFIXHSANDOM-MRVPVSSYSA-N 0 0 179.267 2.021 10 0 AEAERN C[C@H](Nc1ccnn1C)C(C)(C)C 134297696 343939118 /nfs/dbraw/zinc/93/91/18/343939118.db2.gz UXIOZDHUYQAGTD-QMMMGPOBSA-N 0 0 181.283 2.267 10 0 AEAERN C[C@H](Nc1ccnn1C)C1(C)CC1 134300972 343939166 /nfs/dbraw/zinc/93/91/66/343939166.db2.gz ZJEQFIXHSANDOM-QMMMGPOBSA-N 0 0 179.267 2.021 10 0 AEAERN CC[C@@H](C)[C@H](C)Nc1ccnn1C 134298064 343939167 /nfs/dbraw/zinc/93/91/67/343939167.db2.gz DAUBJJSIHSHOIN-BDAKNGLRSA-N 0 0 181.283 2.267 10 0 AEAERN C[C@@H](Nc1ccnn1C)C(C)(C)C 134297717 343939168 /nfs/dbraw/zinc/93/91/68/343939168.db2.gz UXIOZDHUYQAGTD-MRVPVSSYSA-N 0 0 181.283 2.267 10 0 AEAERN CC[C@@H](C)[C@@H](C)Nc1ccnn1C 134298018 343939182 /nfs/dbraw/zinc/93/91/82/343939182.db2.gz DAUBJJSIHSHOIN-RKDXNWHRSA-N 0 0 181.283 2.267 10 0 AEAERN CC[C@H]1CCC[C@H]1Nc1ccnn1C 134294928 343939237 /nfs/dbraw/zinc/93/92/37/343939237.db2.gz 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/nfs/dbraw/zinc/93/97/79/343939779.db2.gz XWFWVCADNCQZKY-QMMMGPOBSA-N 0 0 183.276 2.257 10 0 AEAERN CC(C)(C)C[C@@]1(C)CCC(=O)N1 134327077 343939794 /nfs/dbraw/zinc/93/97/94/343939794.db2.gz XRVSWWWWGWZROK-SNVBAGLBSA-N 0 0 169.268 2.091 10 0 AEAERN CC1CCC(C[C@H]2CCC(=O)N2)CC1 134324816 343939803 /nfs/dbraw/zinc/93/98/03/343939803.db2.gz AZYTZDCPAUMBNS-VQXHTEKXSA-N 0 0 195.306 2.481 10 0 AEAERN CC1CCC(C[C@@H]2CCC(=O)N2)CC1 134324796 343939807 /nfs/dbraw/zinc/93/98/07/343939807.db2.gz AZYTZDCPAUMBNS-ILDUYXDCSA-N 0 0 195.306 2.481 10 0 AEAERN CCC[C@@H](C)Nc1cc(C)n(C)n1 134331566 343940092 /nfs/dbraw/zinc/94/00/92/343940092.db2.gz VNTYSUGXPHTJFC-MRVPVSSYSA-N 0 0 181.283 2.329 10 0 AEAERN C[C@]1(CC2CCCC2)CCC(=O)N1 134332392 343940106 /nfs/dbraw/zinc/94/01/06/343940106.db2.gz LIVCRGRHLCVLNG-LLVKDONJSA-N 0 0 181.279 2.235 10 0 AEAERN CC[C@@]1(CC(C)C)CCC(=O)N1 134334867 343940115 /nfs/dbraw/zinc/94/01/15/343940115.db2.gz MMQXALKQXPKMPN-JTQLQIEISA-N 0 0 169.268 2.091 10 0 AEAERN C[C@@]1(CC2CCCC2)CCC(=O)N1 134332411 343940169 /nfs/dbraw/zinc/94/01/69/343940169.db2.gz LIVCRGRHLCVLNG-NSHDSACASA-N 0 0 181.279 2.235 10 0 AEAERN CC(C)[C@@]1(CC2CCC2)CCC(=O)N1 134337992 343940183 /nfs/dbraw/zinc/94/01/83/343940183.db2.gz LIEVHQCNBUCZKL-LBPRGKRZSA-N 0 0 195.306 2.481 10 0 AEAERN CC[C@@]1(CC2CCC2)CCC(=O)N1 134333933 343940237 /nfs/dbraw/zinc/94/02/37/343940237.db2.gz VJEIWSABSAEFHI-NSHDSACASA-N 0 0 181.279 2.235 10 0 AEAERN CCC[C@H](C)Nc1cc(C)n(C)n1 134331585 343940267 /nfs/dbraw/zinc/94/02/67/343940267.db2.gz VNTYSUGXPHTJFC-QMMMGPOBSA-N 0 0 181.283 2.329 10 0 AEAERN CC[C@]1(CC(C)C)CCC(=O)N1 134334851 343940273 /nfs/dbraw/zinc/94/02/73/343940273.db2.gz MMQXALKQXPKMPN-SNVBAGLBSA-N 0 0 169.268 2.091 10 0 AEAERN CC[C@]1(CC2CCC2)CCC(=O)N1 134333912 343940279 /nfs/dbraw/zinc/94/02/79/343940279.db2.gz VJEIWSABSAEFHI-LLVKDONJSA-N 0 0 181.279 2.235 10 0 AEAERN Cc1cc(N[C@H](C)C(C)C)nn1C 134332131 343940317 /nfs/dbraw/zinc/94/03/17/343940317.db2.gz XQSZIBUQVCVBDH-SECBINFHSA-N 0 0 181.283 2.185 10 0 AEAERN COc1ccc(NC(C)C)c(C)n1 134344768 343940634 /nfs/dbraw/zinc/94/06/34/343940634.db2.gz HMYBJPVNWJNQKF-UHFFFAOYSA-N 0 0 180.251 2.219 10 0 AEAERN COc1ncc(C)cc1NC(C)C 134348598 343940670 /nfs/dbraw/zinc/94/06/70/343940670.db2.gz BUMKITBJAXDGHF-UHFFFAOYSA-N 0 0 180.251 2.219 10 0 AEAERN CC(C)Nc1cnn(C(C)(C)C)c1 134365494 343941233 /nfs/dbraw/zinc/94/12/33/343941233.db2.gz FAOBRNWDQVHQRF-UHFFFAOYSA-N 0 0 181.283 2.458 10 0 AEAERN C=CC(=O)N1CCCCC[C@H]1CC 134354468 343941313 /nfs/dbraw/zinc/94/13/13/343941313.db2.gz UXRKPDLCKWPWHW-SNVBAGLBSA-N 0 0 181.279 2.354 10 0 AEAERN C=CC(=O)N1CCCCC[C@@H]1CC 134354488 343941444 /nfs/dbraw/zinc/94/14/44/343941444.db2.gz UXRKPDLCKWPWHW-JTQLQIEISA-N 0 0 181.279 2.354 10 0 AEAERN Cc1cc(NCc2ccoc2)no1 134425156 343942731 /nfs/dbraw/zinc/94/27/31/343942731.db2.gz BZAADGROTVMZNE-UHFFFAOYSA-N 0 0 178.191 2.188 10 0 AEAERN C[C@H]1OCC[C@@]1(O)CC1CCCC1 134449728 343943154 /nfs/dbraw/zinc/94/31/54/343943154.db2.gz JNHKGYINRQJYNT-MWLCHTKSSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@@H]1OCC[C@]1(O)CCC(C)(C)C 134441877 343943171 /nfs/dbraw/zinc/94/31/71/343943171.db2.gz SCLZRZIRPAELSC-GXSJLCMTSA-N 0 0 186.295 2.353 10 0 AEAERN C[C@@H]1OCC[C@@]1(O)CC1CCCCC1 134447479 343943185 /nfs/dbraw/zinc/94/31/85/343943185.db2.gz YDZDOQRJHSNUMK-CMPLNLGQSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@@H]1OCC[C@]1(O)CC1CCCCC1 134447518 343943191 /nfs/dbraw/zinc/94/31/91/343943191.db2.gz YDZDOQRJHSNUMK-JQWIXIFHSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@@H]1OCC[C@@]1(O)CC1CCCC1 134449750 343943207 /nfs/dbraw/zinc/94/32/07/343943207.db2.gz JNHKGYINRQJYNT-GXSJLCMTSA-N 0 0 184.279 2.107 10 0 AEAERN Cc1cc([C@@]2(O)CCO[C@@H]2C)cs1 134449661 343943378 /nfs/dbraw/zinc/94/33/78/343943378.db2.gz YGILGKQCOOWPOE-PSASIEDQSA-N 0 0 198.287 2.053 10 0 AEAERN C[C@H]1OCC[C@]1(O)CC1CCCCC1 134447497 343943362 /nfs/dbraw/zinc/94/33/62/343943362.db2.gz YDZDOQRJHSNUMK-PWSUYJOCSA-N 0 0 198.306 2.497 10 0 AEAERN Cc1cc([C@]2(O)CCO[C@@H]2C)cs1 134449639 343943370 /nfs/dbraw/zinc/94/33/70/343943370.db2.gz YGILGKQCOOWPOE-SCZZXKLOSA-N 0 0 198.287 2.053 10 0 AEAERN Cc1cc([C@]2(O)CCO[C@H]2C)cs1 134449682 343943375 /nfs/dbraw/zinc/94/33/75/343943375.db2.gz YGILGKQCOOWPOE-WPRPVWTQSA-N 0 0 198.287 2.053 10 0 AEAERN Cc1cc([C@@]2(O)CCO[C@H]2C)cs1 134449699 343943385 /nfs/dbraw/zinc/94/33/85/343943385.db2.gz YGILGKQCOOWPOE-WCBMZHEXSA-N 0 0 198.287 2.053 10 0 AEAERN C[C@H]1OCC[C@@]1(O)CC1CCCCC1 134447458 343943387 /nfs/dbraw/zinc/94/33/87/343943387.db2.gz YDZDOQRJHSNUMK-ZYHUDNBSSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@@H]1OCC[C@@]1(O)CCC(C)(C)C 134441841 343943391 /nfs/dbraw/zinc/94/33/91/343943391.db2.gz SCLZRZIRPAELSC-ONGXEEELSA-N 0 0 186.295 2.353 10 0 AEAERN C[C@H]1OCC[C@]1(O)CC1CCCC1 134449769 343943406 /nfs/dbraw/zinc/94/34/06/343943406.db2.gz JNHKGYINRQJYNT-KOLCDFICSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@@H]1OCC[C@]1(O)CC1CCCC1 134449788 343943439 /nfs/dbraw/zinc/94/34/39/343943439.db2.gz JNHKGYINRQJYNT-ONGXEEELSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@H]1OCC[C@]1(O)CCC(C)(C)C 134441859 343943451 /nfs/dbraw/zinc/94/34/51/343943451.db2.gz SCLZRZIRPAELSC-MWLCHTKSSA-N 0 0 186.295 2.353 10 0 AEAERN C[C@H]1OCC[C@@]1(O)CCC(C)(C)C 134441821 343943453 /nfs/dbraw/zinc/94/34/53/343943453.db2.gz SCLZRZIRPAELSC-KOLCDFICSA-N 0 0 186.295 2.353 10 0 AEAERN CCn1nc(C)c(NC(C)C)c1C 134511007 343943813 /nfs/dbraw/zinc/94/38/13/343943813.db2.gz NYRQTIJJHSJWIW-UHFFFAOYSA-N 0 0 181.283 2.340 10 0 AEAERN CC(C)CNc1ccc(F)nc1 134537400 343944835 /nfs/dbraw/zinc/94/48/35/343944835.db2.gz FRTQRYWELUWGAG-UHFFFAOYSA-N 0 0 168.215 2.289 10 0 AEAERN CC[C@H]1CC[C@@H](CC)C(=O)O1 137038073 343983295 /nfs/dbraw/zinc/98/32/95/343983295.db2.gz DIZRUCSLFRGRMR-SFYZADRCSA-N 0 0 156.225 2.128 10 0 AEAERN CC[C@@H](C)C[C@H]1CSCC1=O 134558183 343945314 /nfs/dbraw/zinc/94/53/14/343945314.db2.gz IIGKDPIQZOKQBZ-SFYZADRCSA-N 0 0 172.293 2.355 10 0 AEAERN O=C1CSC[C@@H]1CC1CCCC1 134561947 343945317 /nfs/dbraw/zinc/94/53/17/343945317.db2.gz DJMJXHHYJAAHCT-VIFPVBQESA-N 0 0 184.304 2.499 10 0 AEAERN CC[C@H](C)C[C@@H]1CSCC1=O 134558164 343945339 /nfs/dbraw/zinc/94/53/39/343945339.db2.gz IIGKDPIQZOKQBZ-JGVFFNPUSA-N 0 0 172.293 2.355 10 0 AEAERN CCCC[C@H]1CSCC1=O 134557868 343945360 /nfs/dbraw/zinc/94/53/60/343945360.db2.gz ZQRMEMASCXQDPG-ZETCQYMHSA-N 0 0 158.266 2.109 10 0 AEAERN CC(C)=CC[C@@H]1CSCC1=O 134568203 343945761 /nfs/dbraw/zinc/94/57/61/343945761.db2.gz OAZXCSKZLSGGBI-MRVPVSSYSA-N 0 0 170.277 2.275 10 0 AEAERN O=C1CSC[C@H]1CC1CCC1 134567720 343945777 /nfs/dbraw/zinc/94/57/77/343945777.db2.gz BPYUGJVWPMSEGT-MRVPVSSYSA-N 0 0 170.277 2.109 10 0 AEAERN O=C1CSC[C@H]1CCC1CC1 134569378 343945817 /nfs/dbraw/zinc/94/58/17/343945817.db2.gz RPUDPTBPIOSASI-MRVPVSSYSA-N 0 0 170.277 2.109 10 0 AEAERN Cc1csc(N[C@H]2CCO[C@@H]2C)n1 134575741 343946291 /nfs/dbraw/zinc/94/62/91/343946291.db2.gz JXTBVWZNXLEIIE-SFYZADRCSA-N 0 0 198.291 2.041 10 0 AEAERN Cc1csc(N[C@@H]2CCO[C@H]2C)n1 134575763 343946359 /nfs/dbraw/zinc/94/63/59/343946359.db2.gz JXTBVWZNXLEIIE-JGVFFNPUSA-N 0 0 198.291 2.041 10 0 AEAERN Cc1csc(N[C@@H]2CCO[C@@H]2C)n1 134575723 343946403 /nfs/dbraw/zinc/94/64/03/343946403.db2.gz JXTBVWZNXLEIIE-HTQZYQBOSA-N 0 0 198.291 2.041 10 0 AEAERN CCc1cccnc1C(=O)C1CC1 134613850 343947329 /nfs/dbraw/zinc/94/73/29/343947329.db2.gz MVSDAODGFZFLDA-UHFFFAOYSA-N 0 0 175.231 2.237 10 0 AEAERN CC(C)Nc1cnc2c(c1)CCC2 134618229 343947404 /nfs/dbraw/zinc/94/74/04/343947404.db2.gz XUGBFEIGNDWFIA-UHFFFAOYSA-N 0 0 176.263 2.391 10 0 AEAERN CCc1cccnc1[C@@H](O)C1CC1 134615310 343947483 /nfs/dbraw/zinc/94/74/83/343947483.db2.gz AEEPARWVJSSWAA-NSHDSACASA-N 0 0 177.247 2.087 10 0 AEAERN CCc1cccnc1[C@H](O)C1CC1 134615294 343947516 /nfs/dbraw/zinc/94/75/16/343947516.db2.gz AEEPARWVJSSWAA-LLVKDONJSA-N 0 0 177.247 2.087 10 0 AEAERN CCc1cccnc1-c1ncc[nH]1 134623876 343947522 /nfs/dbraw/zinc/94/75/22/343947522.db2.gz FDPDQZUUKVZTIO-UHFFFAOYSA-N 0 0 173.219 2.034 10 0 AEAERN O[C@@H]1CSC[C@@H]1C1CCCCC1 134668600 343947912 /nfs/dbraw/zinc/94/79/12/343947912.db2.gz RQDGLUNXUNFIJK-NXEZZACHSA-N 0 0 186.320 2.291 10 0 AEAERN CC(C)=CC[C@@H]1CSC[C@@H]1O 134666266 343947973 /nfs/dbraw/zinc/94/79/73/343947973.db2.gz FITXBKBLGVNBSK-BDAKNGLRSA-N 0 0 172.293 2.067 10 0 AEAERN O[C@H]1CSC[C@H]1C1CCCCC1 134668535 343947991 /nfs/dbraw/zinc/94/79/91/343947991.db2.gz RQDGLUNXUNFIJK-UWVGGRQHSA-N 0 0 186.320 2.291 10 0 AEAERN O[C@@H]1CSC[C@H]1C1CCCCC1 134668575 343948004 /nfs/dbraw/zinc/94/80/04/343948004.db2.gz RQDGLUNXUNFIJK-VHSXEESVSA-N 0 0 186.320 2.291 10 0 AEAERN CC(C)=CC[C@H]1CSC[C@H]1O 134666327 343948041 /nfs/dbraw/zinc/94/80/41/343948041.db2.gz FITXBKBLGVNBSK-DTWKUNHWSA-N 0 0 172.293 2.067 10 0 AEAERN CC(C)=CC[C@H]1CSC[C@@H]1O 134666288 343948048 /nfs/dbraw/zinc/94/80/48/343948048.db2.gz FITXBKBLGVNBSK-IUCAKERBSA-N 0 0 172.293 2.067 10 0 AEAERN CC(C)=CC[C@@H]1CSC[C@H]1O 134666308 343948099 /nfs/dbraw/zinc/94/80/99/343948099.db2.gz FITXBKBLGVNBSK-RKDXNWHRSA-N 0 0 172.293 2.067 10 0 AEAERN Cc1cncc(NC2CCC2)c1 134707745 343948357 /nfs/dbraw/zinc/94/83/57/343948357.db2.gz FDZHDBMTSMLWIL-UHFFFAOYSA-N 0 0 162.236 2.354 10 0 AEAERN Clc1ccc2c(c1)COC2 134722444 343948370 /nfs/dbraw/zinc/94/83/70/343948370.db2.gz BOOGVDHDKSHZNS-UHFFFAOYSA-N 0 0 154.596 2.370 10 0 AEAERN COc1cc(F)c(Cl)cc1OC 134722414 343948469 /nfs/dbraw/zinc/94/84/69/343948469.db2.gz BPKWSFDXSXERSS-UHFFFAOYSA-N 0 0 190.601 2.496 10 0 AEAERN O=C1CCc2cc(Cl)c(F)cc2N1 134722310 343948683 /nfs/dbraw/zinc/94/86/83/343948683.db2.gz XWVJQZRTMNKUPT-UHFFFAOYSA-N 0 0 199.612 2.364 10 0 AEAERN CCCc1nn(C)cc1Cl 134722582 343948689 /nfs/dbraw/zinc/94/86/89/343948689.db2.gz DPDXXBPKVMDFSP-UHFFFAOYSA-N 0 0 158.632 2.026 10 0 AEAERN CC(C)(C)n1cc(Cl)cn1 134722946 343949009 /nfs/dbraw/zinc/94/90/09/343949009.db2.gz ZFADTFGDZJAKFQ-UHFFFAOYSA-N 0 0 158.632 2.292 10 0 AEAERN CC(C)c1nn(C)cc1Cl 134722612 343949037 /nfs/dbraw/zinc/94/90/37/343949037.db2.gz COMIWFBLEJLIRF-UHFFFAOYSA-N 0 0 158.632 2.197 10 0 AEAERN Fc1ccc(NC2CCC2)cn1 134832422 343949927 /nfs/dbraw/zinc/94/99/27/343949927.db2.gz ZKVJRJLQSQCEIG-UHFFFAOYSA-N 0 0 166.199 2.185 10 0 AEAERN C[C@H](O)c1c[nH]c2ccc(F)cc12 134885742 343950210 /nfs/dbraw/zinc/95/02/10/343950210.db2.gz LAVKPBJTTMJJNJ-LURJTMIESA-N 0 0 179.194 2.360 10 0 AEAERN Cc1ccc(-c2cncnc2)c(N)c1 134872015 343950318 /nfs/dbraw/zinc/95/03/18/343950318.db2.gz JYQOYYVCCVLUAP-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN C[C@@H](O)c1c[nH]c2cc(F)ccc12 134884660 343950347 /nfs/dbraw/zinc/95/03/47/343950347.db2.gz CUQBPDHYEXRSKG-ZCFIWIBFSA-N 0 0 179.194 2.360 10 0 AEAERN CC[C@@H](O)c1cc(C)oc1C 134885112 343950437 /nfs/dbraw/zinc/95/04/37/343950437.db2.gz JJRMJUNKMYBWRI-SECBINFHSA-N 0 0 154.209 2.340 10 0 AEAERN C[C@H](O)c1c[nH]c2cc(F)ccc12 134884640 343950498 /nfs/dbraw/zinc/95/04/98/343950498.db2.gz CUQBPDHYEXRSKG-LURJTMIESA-N 0 0 179.194 2.360 10 0 AEAERN C[C@@H](O)c1c[nH]c2ccc(F)cc12 134885764 343950504 /nfs/dbraw/zinc/95/05/04/343950504.db2.gz LAVKPBJTTMJJNJ-ZCFIWIBFSA-N 0 0 179.194 2.360 10 0 AEAERN Cc1ccc(-c2cnccn2)c(N)c1 134872600 343950556 /nfs/dbraw/zinc/95/05/56/343950556.db2.gz MSQWDKHGEPHFHF-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CCn1nc2c(c1Cl)CSC2 134850830 343950561 /nfs/dbraw/zinc/95/05/61/343950561.db2.gz BCKJHCJYHDTQAJ-UHFFFAOYSA-N 0 0 188.683 2.303 10 0 AEAERN CC[C@H](O)c1c[nH]c2ncccc12 134883048 343950596 /nfs/dbraw/zinc/95/05/96/343950596.db2.gz QAXIDPUDFQRMBS-VIFPVBQESA-N 0 0 176.219 2.006 10 0 AEAERN CC[C@H](O)c1cc(C)oc1C 134885131 343950602 /nfs/dbraw/zinc/95/06/02/343950602.db2.gz JJRMJUNKMYBWRI-VIFPVBQESA-N 0 0 154.209 2.340 10 0 AEAERN CC[C@@H](O)c1sccc1OC 134886968 343950678 /nfs/dbraw/zinc/95/06/78/343950678.db2.gz PRHKYBCBRXDLJM-ZCFIWIBFSA-N 0 0 172.249 2.200 10 0 AEAERN C[C@H](O)c1c[nH]c2nccc(Cl)c12 134887881 343950971 /nfs/dbraw/zinc/95/09/71/343950971.db2.gz XMPIUYURXCWEPM-YFKPBYRVSA-N 0 0 196.637 2.270 10 0 AEAERN C[C@@H](O)c1c[nH]c2nccc(Cl)c12 134887901 343951022 /nfs/dbraw/zinc/95/10/22/343951022.db2.gz XMPIUYURXCWEPM-RXMQYKEDSA-N 0 0 196.637 2.270 10 0 AEAERN Cc1cnc(NCc2cc[nH]c2)s1 134992073 343952713 /nfs/dbraw/zinc/95/27/13/343952713.db2.gz WNOCAWGBLRTGSP-UHFFFAOYSA-N 0 0 193.275 2.392 10 0 AEAERN Cc1cc([C@@H](O)CC(C)C)c(C)nn1 135032816 343953215 /nfs/dbraw/zinc/95/32/15/343953215.db2.gz QEEVBVFVVPTECF-NSHDSACASA-N 0 0 194.278 2.173 10 0 AEAERN Cc1cc([C@H](O)CC(C)C)c(C)nn1 135032794 343953373 /nfs/dbraw/zinc/95/33/73/343953373.db2.gz QEEVBVFVVPTECF-LLVKDONJSA-N 0 0 194.278 2.173 10 0 AEAERN CCC(=O)[C@@H]1OCCc2ccccc21 135050970 343953709 /nfs/dbraw/zinc/95/37/09/343953709.db2.gz QKMSNZMZNUAIHM-GFCCVEGCSA-N 0 0 190.242 2.280 10 0 AEAERN CCC(C)(C)Nc1ncccn1 135048479 343953781 /nfs/dbraw/zinc/95/37/81/343953781.db2.gz MYFHTOKISDEHEW-UHFFFAOYSA-N 0 0 165.240 2.077 10 0 AEAERN CCC(=O)c1ccncc1Cl 135053277 343953853 /nfs/dbraw/zinc/95/38/53/343953853.db2.gz SETCZCWDCWHUCY-UHFFFAOYSA-N 0 0 169.611 2.328 10 0 AEAERN CCC(=O)c1csc(C)n1 135051997 343953857 /nfs/dbraw/zinc/95/38/57/343953857.db2.gz HQSWCSOBRXVBKC-UHFFFAOYSA-N 0 0 155.222 2.044 10 0 AEAERN CCC(=O)[C@H]1OCCc2ccccc21 135050956 343953896 /nfs/dbraw/zinc/95/38/96/343953896.db2.gz QKMSNZMZNUAIHM-LBPRGKRZSA-N 0 0 190.242 2.280 10 0 AEAERN C/C=C/C(=O)N1CC[C@H](C)[C@@H](C)C1 135083627 343954121 /nfs/dbraw/zinc/95/41/21/343954121.db2.gz CBXSULVZGCTMOZ-AWAZDUCLSA-N 0 0 181.279 2.067 10 0 AEAERN C/C=C/C(=O)N1CC[C@H](C)[C@H](C)C1 135083588 343954254 /nfs/dbraw/zinc/95/42/54/343954254.db2.gz CBXSULVZGCTMOZ-OCIBVNFRSA-N 0 0 181.279 2.067 10 0 AEAERN CCC(C)(C)Nc1ncc(F)cn1 135078555 343954319 /nfs/dbraw/zinc/95/43/19/343954319.db2.gz JEWYLVMWBNVJDP-UHFFFAOYSA-N 0 0 183.230 2.216 10 0 AEAERN CCSCCCn1ccnc1C 135069322 343954388 /nfs/dbraw/zinc/95/43/88/343954388.db2.gz CIUJFFXCZYSJFD-UHFFFAOYSA-N 0 0 184.308 2.335 10 0 AEAERN CCC(=O)Nc1cc(N)c(C)cc1C 135100321 343954697 /nfs/dbraw/zinc/95/46/97/343954697.db2.gz DCCRTLRUSLTWNE-UHFFFAOYSA-N 0 0 192.262 2.234 10 0 AEAERN CCOC(=O)N1CC[C@@H](C)[C@@H](C)C1 135086100 343954816 /nfs/dbraw/zinc/95/48/16/343954816.db2.gz WCCQQTJFSGJIDZ-BDAKNGLRSA-N 0 0 185.267 2.121 10 0 AEAERN CCOC(=O)N1CC[C@H](C)[C@@H](C)C1 135086082 343954831 /nfs/dbraw/zinc/95/48/31/343954831.db2.gz WCCQQTJFSGJIDZ-IUCAKERBSA-N 0 0 185.267 2.121 10 0 AEAERN COCSc1cccc(O)c1 135098538 343954837 /nfs/dbraw/zinc/95/48/37/343954837.db2.gz CJBANYGVJPFTAT-UHFFFAOYSA-N 0 0 170.233 2.088 10 0 AEAERN CC(C)=C[C@]1(O)C=CCCC1 135115909 343955245 /nfs/dbraw/zinc/95/52/45/343955245.db2.gz KGXZQKIKOQGIBQ-JTQLQIEISA-N 0 0 152.237 2.424 10 0 AEAERN CC(C)=C[C@@]1(O)C=CCCC1 135115888 343955347 /nfs/dbraw/zinc/95/53/47/343955347.db2.gz KGXZQKIKOQGIBQ-SNVBAGLBSA-N 0 0 152.237 2.424 10 0 AEAERN CCC(C)(C)Nc1cnccn1 135149877 343955695 /nfs/dbraw/zinc/95/56/95/343955695.db2.gz ZVGVWUOSOMNWJI-UHFFFAOYSA-N 0 0 165.240 2.077 10 0 AEAERN CCC(C)(C)Nc1ccc(C)nn1 135150480 343955752 /nfs/dbraw/zinc/95/57/52/343955752.db2.gz IPOXGYDTZCZHJD-UHFFFAOYSA-N 0 0 179.267 2.386 10 0 AEAERN COCC(C)(C)Nc1cccc(C)n1 135148358 343955811 /nfs/dbraw/zinc/95/58/11/343955811.db2.gz AOBBORBPYPBJCA-UHFFFAOYSA-N 0 0 194.278 2.227 10 0 AEAERN CC(C)C[C@](C)(O)c1cccnc1 135174148 343956596 /nfs/dbraw/zinc/95/65/96/343956596.db2.gz KUJOXYDYFVYWMU-NSHDSACASA-N 0 0 179.263 2.335 10 0 AEAERN CC(C)C[C@@](C)(O)c1cccnc1 135174170 343956612 /nfs/dbraw/zinc/95/66/12/343956612.db2.gz KUJOXYDYFVYWMU-LLVKDONJSA-N 0 0 179.263 2.335 10 0 AEAERN CC/C(=C\c1cscn1)[N+](=O)[O-] 135274758 343957801 /nfs/dbraw/zinc/95/78/01/343957801.db2.gz UJVYANGSIVULAM-XVNBXDOJSA-N 0 0 184.220 2.171 10 0 AEAERN O=C(CC1CC1)C(F)(F)Cl 135285595 343957864 /nfs/dbraw/zinc/95/78/64/343957864.db2.gz URGFMRYGNGFXHZ-UHFFFAOYSA-N 0 0 168.570 2.187 10 0 AEAERN O=C(C1CCC1)C(F)(F)Cl 135329462 343958235 /nfs/dbraw/zinc/95/82/35/343958235.db2.gz JCRLTFOKBZNGFJ-UHFFFAOYSA-N 0 0 168.570 2.187 10 0 AEAERN CC(C)=CC(=O)Nc1cccc(N)c1 135351123 343959569 /nfs/dbraw/zinc/95/95/69/343959569.db2.gz PKYPQXWSTUCWJR-UHFFFAOYSA-N 0 0 190.246 2.174 10 0 AEAERN Cc1cc(OCC(C)(C)O)ccc1F 135365712 343960285 /nfs/dbraw/zinc/96/02/85/343960285.db2.gz GNVLYNCDJARYFN-UHFFFAOYSA-N 0 0 198.237 2.284 10 0 AEAERN CC(=O)[C@H](C)Oc1ccc(F)c(C)c1 135359102 343960324 /nfs/dbraw/zinc/96/03/24/343960324.db2.gz ZAPCJLSBWLXPEH-VIFPVBQESA-N 0 0 196.221 2.490 10 0 AEAERN O=C1CCCc2cn(CC(F)F)cc21 135399621 343961075 /nfs/dbraw/zinc/96/10/75/343961075.db2.gz DGGCRHPHDHDYFQ-UHFFFAOYSA-N 0 0 199.200 2.272 10 0 AEAERN CCCn1cc2c(c1)C(=O)CCC2 135391237 343961236 /nfs/dbraw/zinc/96/12/36/343961236.db2.gz FKLABAWBJDNLIT-UHFFFAOYSA-N 0 0 177.247 2.417 10 0 AEAERN Cc1cc(OC2CC(O)C2)ccc1F 135417721 343962081 /nfs/dbraw/zinc/96/20/81/343962081.db2.gz DBDQPAVKEXEBGY-UHFFFAOYSA-N 0 0 196.221 2.036 10 0 AEAERN Cc1cc(OC2CC(=O)C2)ccc1F 135417336 343962161 /nfs/dbraw/zinc/96/21/61/343962161.db2.gz BIRTZRFTONLARM-UHFFFAOYSA-N 0 0 194.205 2.244 10 0 AEAERN Cc1ccncc1CNc1cccnc1 135428756 343962766 /nfs/dbraw/zinc/96/27/66/343962766.db2.gz IEIYDSQSSUOZBE-UHFFFAOYSA-N 0 0 199.257 2.397 10 0 AEAERN CCCn1cc2c(c1)[C@@H](O)CCC2 135438830 343963279 /nfs/dbraw/zinc/96/32/79/343963279.db2.gz KUCKAYRLKNSKHW-NSHDSACASA-N 0 0 179.263 2.268 10 0 AEAERN CCCn1cc2c(c1)[C@H](O)CCC2 135438814 343963344 /nfs/dbraw/zinc/96/33/44/343963344.db2.gz KUCKAYRLKNSKHW-LLVKDONJSA-N 0 0 179.263 2.268 10 0 AEAERN C/C=C/Cn1cc2c(c1)[C@H](O)CCC2 135452205 343963500 /nfs/dbraw/zinc/96/35/00/343963500.db2.gz NBRRORWUSZVUPI-QAVQXKDTSA-N 0 0 191.274 2.434 10 0 AEAERN C/C=C/Cn1cc2c(c1)[C@@H](O)CCC2 135452228 343963670 /nfs/dbraw/zinc/96/36/70/343963670.db2.gz NBRRORWUSZVUPI-JDGPPOGSSA-N 0 0 191.274 2.434 10 0 AEAERN CCCN1CCc2cc(C)c(N)cc21 135491992 343964066 /nfs/dbraw/zinc/96/40/66/343964066.db2.gz VXAHPDHYMZUFPF-UHFFFAOYSA-N 0 0 190.290 2.350 10 0 AEAERN CC[C@H](O)CC1CCSCC1 135500413 343964594 /nfs/dbraw/zinc/96/45/94/343964594.db2.gz YJPCNCZCYOMEER-VIFPVBQESA-N 0 0 174.309 2.291 10 0 AEAERN CC(=O)[C@H]1C[C@@H]1c1cnccc1C 135503237 343964598 /nfs/dbraw/zinc/96/45/98/343964598.db2.gz NNGRNSYXKQINDP-ZJUUUORDSA-N 0 0 175.231 2.083 10 0 AEAERN Cc1ccc([C@H]2CCC2=O)cc1 135695677 343966499 /nfs/dbraw/zinc/96/64/99/343966499.db2.gz VRSWJXKHRWWIMI-SNVBAGLBSA-N 0 0 160.216 2.442 10 0 AEAERN Cc1ccccc1-n1cc(N)c(C)n1 135718178 343966555 /nfs/dbraw/zinc/96/65/55/343966555.db2.gz UQEMTSXHGLEVFX-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN CC(C)=C1CC[C@@H](C)[C@@H]1CO 135692950 343966643 /nfs/dbraw/zinc/96/66/43/343966643.db2.gz KTXQBPCXJDPGGR-SCZZXKLOSA-N 0 0 154.253 2.361 10 0 AEAERN CC(C)Cn1cc(N)c(C(C)(C)C)n1 135692943 343966658 /nfs/dbraw/zinc/96/66/58/343966658.db2.gz PBUZRDPNNHETAJ-UHFFFAOYSA-N 0 0 195.310 2.419 10 0 AEAERN Cc1ccc([C@@H]2CCC2=O)cc1 135695645 343966700 /nfs/dbraw/zinc/96/67/00/343966700.db2.gz VRSWJXKHRWWIMI-JTQLQIEISA-N 0 0 160.216 2.442 10 0 AEAERN C/C(=C\CO)c1ccc(C)cc1 135696435 343966702 /nfs/dbraw/zinc/96/67/02/343966702.db2.gz PFYCTKBBWLXTAX-JXMROGBWSA-N 0 0 162.232 2.391 10 0 AEAERN Cc1ccc(-c2nn(C)cc2N)s1 135734118 343966945 /nfs/dbraw/zinc/96/69/45/343966945.db2.gz GSBXCLYSRRZYAC-UHFFFAOYSA-N 0 0 193.275 2.039 10 0 AEAERN CCn1cc(N)c(-c2ccsc2)n1 135743559 343966978 /nfs/dbraw/zinc/96/69/78/343966978.db2.gz NXNKAVYPRYURAJ-UHFFFAOYSA-N 0 0 193.275 2.214 10 0 AEAERN CCNC(=O)Nc1ccc(C)cc1F 135735977 343966999 /nfs/dbraw/zinc/96/69/99/343966999.db2.gz GGWTYTFRWSEVKI-UHFFFAOYSA-N 0 0 196.225 2.276 10 0 AEAERN CCn1cc(N)c(C2CCCC2)n1 135741621 343967107 /nfs/dbraw/zinc/96/71/07/343967107.db2.gz PGQJPQUTSVFTFA-UHFFFAOYSA-N 0 0 179.267 2.143 10 0 AEAERN Cc1ccsc1-c1nn(C)cc1N 135733964 343967130 /nfs/dbraw/zinc/96/71/30/343967130.db2.gz DGRDIYNREGNKFH-UHFFFAOYSA-N 0 0 193.275 2.039 10 0 AEAERN CCn1cc(N)c(-c2cccs2)n1 135743171 343967143 /nfs/dbraw/zinc/96/71/43/343967143.db2.gz FPALJDHXZHETEF-UHFFFAOYSA-N 0 0 193.275 2.214 10 0 AEAERN CCn1cc(N)c(-c2ccc(C)o2)n1 135744924 343967169 /nfs/dbraw/zinc/96/71/69/343967169.db2.gz NYXXABDNCVMBBE-UHFFFAOYSA-N 0 0 191.234 2.054 10 0 AEAERN CC[C@](F)(CO)c1ccccc1 135762919 343967342 /nfs/dbraw/zinc/96/73/42/343967342.db2.gz QPKSXZGCSCEDMX-JTQLQIEISA-N 0 0 168.211 2.254 10 0 AEAERN O=Cc1cc(C=O)c2cccccc1-2 135773749 343967436 /nfs/dbraw/zinc/96/74/36/343967436.db2.gz XFOPUARCKUPXFN-UHFFFAOYSA-N 0 0 184.194 2.416 10 0 AEAERN CC(C)c1nn(C(C)(C)C)cc1N 135755414 343967473 /nfs/dbraw/zinc/96/74/73/343967473.db2.gz MSBMOHJCHLKOFV-UHFFFAOYSA-N 0 0 181.283 2.344 10 0 AEAERN C=C(OC(C)=O)c1ccc(F)cc1 135754544 343967487 /nfs/dbraw/zinc/96/74/87/343967487.db2.gz LYNSMTWBUUZYGV-UHFFFAOYSA-N 0 0 180.178 2.360 10 0 AEAERN C[C@H](O)CCCCCCCCCO 135778008 343967538 /nfs/dbraw/zinc/96/75/38/343967538.db2.gz OOFMPQZBFAZZBO-NSHDSACASA-N 0 0 188.311 2.480 10 0 AEAERN C=C/C=C/S(=O)(=O)c1ccccc1 135762907 343967559 /nfs/dbraw/zinc/96/75/59/343967559.db2.gz OPHCRBQYHONECA-YCRREMRBSA-N 0 0 194.255 2.160 10 0 AEAERN CCCn1cc(N)c(-c2ccco2)n1 135777807 343967627 /nfs/dbraw/zinc/96/76/27/343967627.db2.gz YOFONKJMJBGOPO-UHFFFAOYSA-N 0 0 191.234 2.135 10 0 AEAERN C[C@@H](O)CCCCCCCCCO 135778033 343967686 /nfs/dbraw/zinc/96/76/86/343967686.db2.gz OOFMPQZBFAZZBO-LLVKDONJSA-N 0 0 188.311 2.480 10 0 AEAERN CC(C)CCC(=O)c1c[nH]cn1 135761795 343967693 /nfs/dbraw/zinc/96/76/93/343967693.db2.gz PSQCBBHWQFVTFV-UHFFFAOYSA-N 0 0 166.224 2.029 10 0 AEAERN CCNC(=O)N[C@H](C)CCC(C)C 135790078 343967938 /nfs/dbraw/zinc/96/79/38/343967938.db2.gz FVZWEVNWSFWKNE-SECBINFHSA-N 0 0 186.299 2.130 10 0 AEAERN CCNC(=O)N[C@@H](C)CCC(C)C 135790035 343968107 /nfs/dbraw/zinc/96/81/07/343968107.db2.gz FVZWEVNWSFWKNE-VIFPVBQESA-N 0 0 186.299 2.130 10 0 AEAERN O[C@H](c1ccncc1F)C1CCCC1 135833140 343968374 /nfs/dbraw/zinc/96/83/74/343968374.db2.gz ROFMQMOJNYKSGZ-NSHDSACASA-N 0 0 195.237 2.444 10 0 AEAERN O[C@@H](CC1CC1)c1ccncc1F 135833945 343968385 /nfs/dbraw/zinc/96/83/85/343968385.db2.gz KCPKBCOGCTWGJK-JTQLQIEISA-N 0 0 181.210 2.054 10 0 AEAERN COC1=CCC(=S)S1 135831435 343968397 /nfs/dbraw/zinc/96/83/97/343968397.db2.gz OBUJMAYHBJQFLI-UHFFFAOYSA-N 0 0 146.236 2.045 10 0 AEAERN O[C@H](CC1CC1)c1ccncc1F 135833906 343968536 /nfs/dbraw/zinc/96/85/36/343968536.db2.gz KCPKBCOGCTWGJK-SNVBAGLBSA-N 0 0 181.210 2.054 10 0 AEAERN O[C@@H](CC1CCC1)c1ccncc1F 135832391 343968586 /nfs/dbraw/zinc/96/85/86/343968586.db2.gz WJGIMEFCNQLDRY-NSHDSACASA-N 0 0 195.237 2.444 10 0 AEAERN O[C@H](CC1CCC1)c1ccncc1F 135832357 343968608 /nfs/dbraw/zinc/96/86/08/343968608.db2.gz WJGIMEFCNQLDRY-LLVKDONJSA-N 0 0 195.237 2.444 10 0 AEAERN O[C@@H](c1ccncc1F)C1CCCC1 135833103 343968636 /nfs/dbraw/zinc/96/86/36/343968636.db2.gz ROFMQMOJNYKSGZ-LLVKDONJSA-N 0 0 195.237 2.444 10 0 AEAERN CNC(=O)Nc1cccc(Cl)c1C 135849270 343968853 /nfs/dbraw/zinc/96/88/53/343968853.db2.gz BPWVHNZTKDZQLT-UHFFFAOYSA-N 0 0 198.653 2.400 10 0 AEAERN CCN(CC)C(=O)N[C@@H](C)C(C)C 135875480 343969509 /nfs/dbraw/zinc/96/95/09/343969509.db2.gz XBHNZPDSELYGQC-VIFPVBQESA-N 0 0 186.299 2.082 10 0 AEAERN CCN(CC)C(=O)N[C@H](C)C(C)C 135875519 343969606 /nfs/dbraw/zinc/96/96/06/343969606.db2.gz XBHNZPDSELYGQC-SECBINFHSA-N 0 0 186.299 2.082 10 0 AEAERN CCCc1cn2c(n1)C[C@H](C)CC2 135889063 343970160 /nfs/dbraw/zinc/97/01/60/343970160.db2.gz OMMAGVRFNMPUBY-SECBINFHSA-N 0 0 178.279 2.418 10 0 AEAERN C1CCc2c(nc3n2CCCC3)C1 135887546 343970188 /nfs/dbraw/zinc/97/01/88/343970188.db2.gz IAKWFSBHUOBTDD-UHFFFAOYSA-N 0 0 176.263 2.098 10 0 AEAERN CC(=O)O[C@@H]1CCCc2cnccc21 135885782 343970195 /nfs/dbraw/zinc/97/01/95/343970195.db2.gz WBIXPHWUULORGW-LLVKDONJSA-N 0 0 191.230 2.022 10 0 AEAERN Cc1c(C2CC2)nc2n1CCCC2 135888111 343970248 /nfs/dbraw/zinc/97/02/48/343970248.db2.gz BNABAEZHIJJIPW-UHFFFAOYSA-N 0 0 176.263 2.405 10 0 AEAERN CC1(C)CCc2c1nc1n2CCCC1 135886449 343970280 /nfs/dbraw/zinc/97/02/80/343970280.db2.gz IZYNBQZCOAYLFN-UHFFFAOYSA-N 0 0 190.290 2.443 10 0 AEAERN COc1cccc([C@H](C)OC(C)=O)c1 135889065 343970285 /nfs/dbraw/zinc/97/02/85/343970285.db2.gz CXOKJNFDHYCTAJ-QMMMGPOBSA-N 0 0 194.230 2.319 10 0 AEAERN C[C@H]1CCn2cc(C3CC3)nc2C1 135888940 343970289 /nfs/dbraw/zinc/97/02/89/343970289.db2.gz HLGFCDVKHSJQTK-QMMMGPOBSA-N 0 0 176.263 2.343 10 0 AEAERN CC(C)c1cn2c(n1)CCCC2 135886406 343970297 /nfs/dbraw/zinc/97/02/97/343970297.db2.gz LVTCBONFQNMZMD-UHFFFAOYSA-N 0 0 164.252 2.343 10 0 AEAERN c1c(C2CC2)nc2n1CCCC2 135886274 343970309 /nfs/dbraw/zinc/97/03/09/343970309.db2.gz YKSPWKFEQNNMJO-UHFFFAOYSA-N 0 0 162.236 2.097 10 0 AEAERN CC1(c2cn3c(n2)CCCC3)CC1 135886980 343970335 /nfs/dbraw/zinc/97/03/35/343970335.db2.gz MVVVBJSEGFFCPL-UHFFFAOYSA-N 0 0 176.263 2.271 10 0 AEAERN C[C@@H]1CCn2cc(C3CC3)nc2C1 135888907 343970394 /nfs/dbraw/zinc/97/03/94/343970394.db2.gz HLGFCDVKHSJQTK-MRVPVSSYSA-N 0 0 176.263 2.343 10 0 AEAERN CC(=O)O[C@H]1CCCc2cnccc21 135885819 343970409 /nfs/dbraw/zinc/97/04/09/343970409.db2.gz WBIXPHWUULORGW-NSHDSACASA-N 0 0 191.230 2.022 10 0 AEAERN CCc1nc2n(c1C)CC[C@@H](C)C2 135888833 343970452 /nfs/dbraw/zinc/97/04/52/343970452.db2.gz QUWBMMWKAVYRFA-MRVPVSSYSA-N 0 0 178.279 2.336 10 0 AEAERN C[C@@H]1CCc2c1nc1n2CCCC1 135888376 343970526 /nfs/dbraw/zinc/97/05/26/343970526.db2.gz JMACSECFLJNLNI-MRVPVSSYSA-N 0 0 176.263 2.269 10 0 AEAERN C[C@H]1CCc2c1nc1n2CCCC1 135888417 343970559 /nfs/dbraw/zinc/97/05/59/343970559.db2.gz JMACSECFLJNLNI-QMMMGPOBSA-N 0 0 176.263 2.269 10 0 AEAERN CCCc1cn2c(n1)C[C@@H](C)CC2 135889108 343970598 /nfs/dbraw/zinc/97/05/98/343970598.db2.gz OMMAGVRFNMPUBY-VIFPVBQESA-N 0 0 178.279 2.418 10 0 AEAERN CCc1cn2c(n1)C[C@@H](C)CC2 135889719 343970837 /nfs/dbraw/zinc/97/08/37/343970837.db2.gz ZDTRDXCRXJVWJG-QMMMGPOBSA-N 0 0 164.252 2.028 10 0 AEAERN COCc1c(C)nc2n1CCC[C@@H]2C 135894792 343971035 /nfs/dbraw/zinc/97/10/35/343971035.db2.gz MLVMRWHCJQFZRO-QMMMGPOBSA-N 0 0 194.278 2.235 10 0 AEAERN CC(C)[C@@H](C)NC(=O)NC1CCCC1 135891652 343971081 /nfs/dbraw/zinc/97/10/81/343971081.db2.gz SPTTUTBHZKIHBU-SECBINFHSA-N 0 0 198.310 2.273 10 0 AEAERN COCc1c(C)nc2n1CCC[C@H]2C 135894759 343971101 /nfs/dbraw/zinc/97/11/01/343971101.db2.gz MLVMRWHCJQFZRO-MRVPVSSYSA-N 0 0 194.278 2.235 10 0 AEAERN CCc1c(C)nc2n1CC[C@@H](C)C2 135889563 343971190 /nfs/dbraw/zinc/97/11/90/343971190.db2.gz WGPDCYLJORHCNQ-MRVPVSSYSA-N 0 0 178.279 2.336 10 0 AEAERN CCc1c(C)nc2n1CC[C@H](C)C2 135889525 343971217 /nfs/dbraw/zinc/97/12/17/343971217.db2.gz WGPDCYLJORHCNQ-QMMMGPOBSA-N 0 0 178.279 2.336 10 0 AEAERN CC(C)[C@H](C)NC(=O)NC1CCCC1 135891688 343971265 /nfs/dbraw/zinc/97/12/65/343971265.db2.gz SPTTUTBHZKIHBU-VIFPVBQESA-N 0 0 198.310 2.273 10 0 AEAERN CCc1cn2c(n1)C[C@H](C)CC2 135889689 343971295 /nfs/dbraw/zinc/97/12/95/343971295.db2.gz ZDTRDXCRXJVWJG-MRVPVSSYSA-N 0 0 164.252 2.028 10 0 AEAERN C[C@H]1CCc2nc(C3CC3)cn2C1 135905273 343971479 /nfs/dbraw/zinc/97/14/79/343971479.db2.gz QXENRJDJVZOIRW-QMMMGPOBSA-N 0 0 176.263 2.343 10 0 AEAERN CCc1c(C)nc2n1C[C@@H](C)CC2 135905993 343971499 /nfs/dbraw/zinc/97/14/99/343971499.db2.gz ZMRNJXAXKZNCGA-QMMMGPOBSA-N 0 0 178.279 2.336 10 0 AEAERN CCCc1cn2c(n1)CC[C@@H](C)C2 135905431 343971524 /nfs/dbraw/zinc/97/15/24/343971524.db2.gz KPXGDGQPQVPUHQ-SECBINFHSA-N 0 0 178.279 2.418 10 0 AEAERN CCc1cn2c(n1)CCC[C@@H]2C 135910967 343971532 /nfs/dbraw/zinc/97/15/32/343971532.db2.gz FNCKAQCULDZQEV-QMMMGPOBSA-N 0 0 164.252 2.343 10 0 AEAERN CCCc1cn2c(n1)CC[C@H](C)C2 135905401 343971569 /nfs/dbraw/zinc/97/15/69/343971569.db2.gz KPXGDGQPQVPUHQ-VIFPVBQESA-N 0 0 178.279 2.418 10 0 AEAERN CCc1nc2n(c1C)C[C@H](C)CC2 135905195 343971590 /nfs/dbraw/zinc/97/15/90/343971590.db2.gz GPAFYOKYHORPPB-MRVPVSSYSA-N 0 0 178.279 2.336 10 0 AEAERN CCc1nc2n(c1C)C[C@@H](C)CC2 135905164 343971638 /nfs/dbraw/zinc/97/16/38/343971638.db2.gz GPAFYOKYHORPPB-QMMMGPOBSA-N 0 0 178.279 2.336 10 0 AEAERN C[C@@H]1CCCc2nc3c(n21)CCC3 135910028 343971665 /nfs/dbraw/zinc/97/16/65/343971665.db2.gz LPZNKQJZRHOAHI-MRVPVSSYSA-N 0 0 176.263 2.269 10 0 AEAERN CCc1cn2c(n1)CC[C@@H](C)C2 135906165 343971685 /nfs/dbraw/zinc/97/16/85/343971685.db2.gz ZLYMMSGEKWMGEX-MRVPVSSYSA-N 0 0 164.252 2.028 10 0 AEAERN CCc1cn2c(n1)CC[C@H](C)C2 135906120 343971728 /nfs/dbraw/zinc/97/17/28/343971728.db2.gz ZLYMMSGEKWMGEX-QMMMGPOBSA-N 0 0 164.252 2.028 10 0 AEAERN CCc1c(C)nc2n1C[C@H](C)CC2 135905969 343971741 /nfs/dbraw/zinc/97/17/41/343971741.db2.gz ZMRNJXAXKZNCGA-MRVPVSSYSA-N 0 0 178.279 2.336 10 0 AEAERN O=C(NCC1CC1)NC1CCCCC1 135909779 343971817 /nfs/dbraw/zinc/97/18/17/343971817.db2.gz OIWKYPFXCXWPHG-UHFFFAOYSA-N 0 0 196.294 2.028 10 0 AEAERN C[C@H]1CCCc2nc3c(n21)CCC3 135910057 343971859 /nfs/dbraw/zinc/97/18/59/343971859.db2.gz LPZNKQJZRHOAHI-QMMMGPOBSA-N 0 0 176.263 2.269 10 0 AEAERN C[C@@H]1CCc2nc(C3CC3)cn2C1 135905233 343971906 /nfs/dbraw/zinc/97/19/06/343971906.db2.gz QXENRJDJVZOIRW-MRVPVSSYSA-N 0 0 176.263 2.343 10 0 AEAERN CCc1cn2c(n1)CCC[C@H]2C 135911006 343971909 /nfs/dbraw/zinc/97/19/09/343971909.db2.gz FNCKAQCULDZQEV-MRVPVSSYSA-N 0 0 164.252 2.343 10 0 AEAERN Cc1cc(N)cc(C(C)C)c1N 135955272 343971949 /nfs/dbraw/zinc/97/19/49/343971949.db2.gz FUCDGXBYDZVPPI-UHFFFAOYSA-N 0 0 164.252 2.283 10 0 AEAERN O[C@H](C1=CCC=C1)c1ccccc1 135945258 343972082 /nfs/dbraw/zinc/97/20/82/343972082.db2.gz VCZNPMBAQYQWOW-LBPRGKRZSA-N 0 0 171.219 2.487 10 0 AEAERN CC(C)[C@@H](C)NC(=O)N1CCCCC1 135921142 343972085 /nfs/dbraw/zinc/97/20/85/343972085.db2.gz QTQRPYVZSQKLBP-SNVBAGLBSA-N 0 0 198.310 2.226 10 0 AEAERN CC(C)[C@H](C)NC(=O)N1CCCCC1 135921171 343972094 /nfs/dbraw/zinc/97/20/94/343972094.db2.gz QTQRPYVZSQKLBP-JTQLQIEISA-N 0 0 198.310 2.226 10 0 AEAERN Cc1c(N)cc(Cl)c(N)c1Cl 135955314 343972352 /nfs/dbraw/zinc/97/23/52/343972352.db2.gz PVUBCGNMISNQLK-UHFFFAOYSA-N 0 0 191.061 2.466 10 0 AEAERN COC(=O)Nc1ccc(C)c(F)c1 135963185 343972445 /nfs/dbraw/zinc/97/24/45/343972445.db2.gz WSQNUHYQELQRFN-UHFFFAOYSA-N 0 0 183.182 2.312 10 0 AEAERN CNC(=O)Nc1nc(C(C)C)cs1 135970608 343972723 /nfs/dbraw/zinc/97/27/23/343972723.db2.gz HOOHGISYKSVMJU-UHFFFAOYSA-N 0 0 199.279 2.018 10 0 AEAERN COCc1cccc(NC(=O)OC)c1 135965519 343972743 /nfs/dbraw/zinc/97/27/43/343972743.db2.gz QEKCHZZGJHQVER-UHFFFAOYSA-N 0 0 195.218 2.011 10 0 AEAERN COC(=O)Nc1ccc(C)cc1F 135963641 343972755 /nfs/dbraw/zinc/97/27/55/343972755.db2.gz DHGFEMLAAOPKPX-UHFFFAOYSA-N 0 0 183.182 2.312 10 0 AEAERN CCNC(=O)Nc1cc(C)ccc1F 135996573 343972835 /nfs/dbraw/zinc/97/28/35/343972835.db2.gz DKUUCZRNWUCIPN-UHFFFAOYSA-N 0 0 196.225 2.276 10 0 AEAERN CCN(C)C(=O)Nc1ccccc1 136067907 343973945 /nfs/dbraw/zinc/97/39/45/343973945.db2.gz PIHVYMOIANIPER-UHFFFAOYSA-N 0 0 178.235 2.170 10 0 AEAERN CCNC(=O)NC1CCC(CC)CC1 136072101 343974429 /nfs/dbraw/zinc/97/44/29/343974429.db2.gz DCGNTBPYSBFEEQ-UHFFFAOYSA-N 0 0 198.310 2.274 10 0 AEAERN CC(C)(C)c1nncn1C(C)(C)C 136144845 343975584 /nfs/dbraw/zinc/97/55/84/343975584.db2.gz DIHAKKSOECAEBH-UHFFFAOYSA-N 0 0 181.283 2.331 10 0 AEAERN CC[C@H](NC(=O)NC(C)C)C(C)C 136189389 343976986 /nfs/dbraw/zinc/97/69/86/343976986.db2.gz YROLFDXAPLHNAG-VIFPVBQESA-N 0 0 186.299 2.129 10 0 AEAERN CC[C@@H](NC(=O)NC(C)C)C(C)C 136189414 343977021 /nfs/dbraw/zinc/97/70/21/343977021.db2.gz YROLFDXAPLHNAG-SECBINFHSA-N 0 0 186.299 2.129 10 0 AEAERN CCCNC(=O)N[C@H](CC)C(C)C 136189693 343977048 /nfs/dbraw/zinc/97/70/48/343977048.db2.gz POFPLWRBPLZZLN-SECBINFHSA-N 0 0 186.299 2.130 10 0 AEAERN CC[C@H](NC(=O)N1CCCC1)C(C)C 136188622 343977057 /nfs/dbraw/zinc/97/70/57/343977057.db2.gz NCXPMAKOIMJJKZ-JTQLQIEISA-N 0 0 198.310 2.226 10 0 AEAERN CCCNC(=O)N[C@@H](CC)C(C)C 136189665 343977073 /nfs/dbraw/zinc/97/70/73/343977073.db2.gz POFPLWRBPLZZLN-VIFPVBQESA-N 0 0 186.299 2.130 10 0 AEAERN CCNC(=O)NC[C@@H]1CCCC[C@@H]1C 136219597 343977466 /nfs/dbraw/zinc/97/74/66/343977466.db2.gz GEHOGWOPUAAYMU-UWVGGRQHSA-N 0 0 198.310 2.132 10 0 AEAERN CCNC(=O)NC[C@H]1CCCC[C@H]1C 136219709 343977476 /nfs/dbraw/zinc/97/74/76/343977476.db2.gz GEHOGWOPUAAYMU-NXEZZACHSA-N 0 0 198.310 2.132 10 0 AEAERN CCNC(=O)NC[C@@H]1CCCC[C@H]1C 136219670 343977541 /nfs/dbraw/zinc/97/75/41/343977541.db2.gz GEHOGWOPUAAYMU-ZJUUUORDSA-N 0 0 198.310 2.132 10 0 AEAERN CCNC(=O)NC[C@H]1CCCC[C@@H]1C 136219631 343977644 /nfs/dbraw/zinc/97/76/44/343977644.db2.gz GEHOGWOPUAAYMU-VHSXEESVSA-N 0 0 198.310 2.132 10 0 AEAERN C[C@@H]1CC(=O)O[C@@H]1c1ccccc1 136269474 343978626 /nfs/dbraw/zinc/97/86/26/343978626.db2.gz CKGJWXGCQYJRGY-KCJUWKMLSA-N 0 0 176.215 2.311 10 0 AEAERN C[C@@H]1Cc2ccccc2CO1 136255973 343978635 /nfs/dbraw/zinc/97/86/35/343978635.db2.gz PYVOFBZTCULYKU-MRVPVSSYSA-N 0 0 148.205 2.148 10 0 AEAERN C[C@H]1CC(=O)O[C@H]1c1ccccc1 136269601 343978650 /nfs/dbraw/zinc/97/86/50/343978650.db2.gz CKGJWXGCQYJRGY-GZMMTYOYSA-N 0 0 176.215 2.311 10 0 AEAERN COc1cc([C@H](C)CO)ccc1C 136272538 343978690 /nfs/dbraw/zinc/97/86/90/343978690.db2.gz FYBQFZVCPHEDDM-SECBINFHSA-N 0 0 180.247 2.099 10 0 AEAERN O[C@@H](c1ccnnc1)C1CCCCC1 136282693 343978971 /nfs/dbraw/zinc/97/89/71/343978971.db2.gz FQVLLORQZBRLNL-LLVKDONJSA-N 0 0 192.262 2.090 10 0 AEAERN CN=[S@@](C)(=O)c1ccc(C)cc1 136275457 343978973 /nfs/dbraw/zinc/97/89/73/343978973.db2.gz XPXRQFBXSYNNQU-LBPRGKRZSA-N 0 0 183.276 2.082 10 0 AEAERN CN=[S@](C)(=O)c1ccc(C)cc1 136275486 343978994 /nfs/dbraw/zinc/97/89/94/343978994.db2.gz XPXRQFBXSYNNQU-GFCCVEGCSA-N 0 0 183.276 2.082 10 0 AEAERN COC(=O)N1CC[C@H]2CCCC[C@@H]21 136343459 343979455 /nfs/dbraw/zinc/97/94/55/343979455.db2.gz 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183.295 2.291 10 0 AEAERN C/C(=C\Br)c1ccncn1 143581161 344020361 /nfs/dbraw/zinc/02/03/61/344020361.db2.gz ZEJIOLFBSYYTSF-GQCTYLIASA-N 0 0 199.051 2.232 10 0 AEAERN [O-]c1cc(Cl)cc(CO)c1Cl 143583746 344020555 /nfs/dbraw/zinc/02/05/55/344020555.db2.gz CBVHZTNISMIUNH-UHFFFAOYSA-N 0 0 193.029 2.191 10 0 AEAERN CCC(=O)NCC1CCCCCC1 143657792 344020926 /nfs/dbraw/zinc/02/09/26/344020926.db2.gz FFXZZJIXNKTVEH-UHFFFAOYSA-N 0 0 183.295 2.483 10 0 AEAERN C/C=C/[C@H](O)c1cccs1 143629571 344020956 /nfs/dbraw/zinc/02/09/56/344020956.db2.gz IXNRWIOLJGSCDV-XBBYQOBLSA-N 0 0 154.234 2.358 10 0 AEAERN C[C@]1(CF)CN=C(c2ccccc2)O1 143649521 344020966 /nfs/dbraw/zinc/02/09/66/344020966.db2.gz MXRHGLZRSZRQQQ-NSHDSACASA-N 0 0 193.221 2.192 10 0 AEAERN C/C=C/[C@@H](O)c1cccs1 143629766 344021024 /nfs/dbraw/zinc/02/10/24/344021024.db2.gz IXNRWIOLJGSCDV-NUOXCJHRSA-N 0 0 154.234 2.358 10 0 AEAERN CC(C)c1ccc2ccc(=O)[nH]c2n1 143634142 344021086 /nfs/dbraw/zinc/02/10/86/344021086.db2.gz ORZMMKPMRVTRRO-UHFFFAOYSA-N 0 0 188.230 2.047 10 0 AEAERN CC(=O)[C@H](C)c1ccc(O)cc1 143694970 344021357 /nfs/dbraw/zinc/02/13/57/344021357.db2.gz DJSNHBHJSCFRJU-ZETCQYMHSA-N 0 0 164.204 2.085 10 0 AEAERN O=C(C1CC1)C(F)(F)C(F)(F)F 143709224 344021363 /nfs/dbraw/zinc/02/13/63/344021363.db2.gz ZJFLVAPZEIKHDC-UHFFFAOYSA-N 0 0 188.095 2.163 10 0 AEAERN COc1ccc(OC(F)F)c(F)c1 143694847 344021381 /nfs/dbraw/zinc/02/13/81/344021381.db2.gz ZDDXFISZKPFAOE-UHFFFAOYSA-N 0 0 192.136 2.436 10 0 AEAERN Cc1ccc(SC(N)=O)cc1 143734124 344021408 /nfs/dbraw/zinc/02/14/08/344021408.db2.gz AWNKVEQSRGAWQD-UHFFFAOYSA-N 0 0 167.233 2.166 10 0 AEAERN CC(=O)[C@@H](C)c1ccc(O)cc1 143694789 344021566 /nfs/dbraw/zinc/02/15/66/344021566.db2.gz DJSNHBHJSCFRJU-SSDOTTSWSA-N 0 0 164.204 2.085 10 0 AEAERN Oc1ccc(OC(F)F)c(F)c1F 143681143 344021680 /nfs/dbraw/zinc/02/16/80/344021680.db2.gz SEIUDKFADFJKQR-UHFFFAOYSA-N 0 0 196.099 2.272 10 0 AEAERN CCC[C@@H]1CCC[C@@H]2CCC(=O)N12 143792681 344021928 /nfs/dbraw/zinc/02/19/28/344021928.db2.gz 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/nfs/dbraw/zinc/02/36/70/344023670.db2.gz WNSZHLDLWROPGQ-UHFFFAOYSA-N 0 0 187.202 2.083 10 0 AEAERN Nc1cc(C2=CCCC2)ccn1 144032959 344023850 /nfs/dbraw/zinc/02/38/50/344023850.db2.gz DEUNCTWJNSQQFK-UHFFFAOYSA-N 0 0 160.220 2.231 10 0 AEAERN Cc1cc(C(=O)NC(C)C)cs1 144045395 344023900 /nfs/dbraw/zinc/02/39/00/344023900.db2.gz PVPSXADDZIIAIR-UHFFFAOYSA-N 0 0 183.276 2.195 10 0 AEAERN C=Cc1ccc(=O)n(C(C)C)c1 144020817 344023915 /nfs/dbraw/zinc/02/39/15/344023915.db2.gz LDDQWGDBDHNRTB-UHFFFAOYSA-N 0 0 163.220 2.072 10 0 AEAERN Nc1cc(Cl)cc(Cl)c1CO 144016315 344023977 /nfs/dbraw/zinc/02/39/77/344023977.db2.gz VWPGYZRFMDLOIG-UHFFFAOYSA-N 0 0 192.045 2.068 10 0 AEAERN Cc1cc(C(=O)NC2CCC2)cs1 144046712 344024015 /nfs/dbraw/zinc/02/40/15/344024015.db2.gz NOVORVZIJUCYOG-UHFFFAOYSA-N 0 0 195.287 2.339 10 0 AEAERN C=Cc1ccc(-c2cnco2)cn1 144074997 344024028 /nfs/dbraw/zinc/02/40/28/344024028.db2.gz RFIOSQYVIOTHMD-UHFFFAOYSA-N 0 0 172.187 2.380 10 0 AEAERN C=Cc1ccc(-c2cnco2)nc1 144102007 344024390 /nfs/dbraw/zinc/02/43/90/344024390.db2.gz JQFLPSOZBFVFCI-UHFFFAOYSA-N 0 0 172.187 2.380 10 0 AEAERN O=C1CCC2(CCCCC2)CO1 144104292 344024561 /nfs/dbraw/zinc/02/45/61/344024561.db2.gz HARFAYIEBQWEQH-UHFFFAOYSA-N 0 0 168.236 2.274 10 0 AEAERN CC(C)c1cnc(Cl)c(CO)c1 144214773 344024960 /nfs/dbraw/zinc/02/49/60/344024960.db2.gz CCUKIDJFDBBTCH-UHFFFAOYSA-N 0 0 185.654 2.351 10 0 AEAERN CCC/C(C)=C/COC(C)=O 144210732 344024978 /nfs/dbraw/zinc/02/49/78/344024978.db2.gz WPKWKTFXIURJFK-SOFGYWHQSA-N 0 0 156.225 2.296 10 0 AEAERN C1=C(c2ccnnc2)CCCC1 144201480 344025009 /nfs/dbraw/zinc/02/50/09/344025009.db2.gz AHYSGBCSIAVDLK-UHFFFAOYSA-N 0 0 160.220 2.434 10 0 AEAERN C/C=C/[C@H]1CCCS1 144154711 344025022 /nfs/dbraw/zinc/02/50/22/344025022.db2.gz WWPFJERTOAFQFO-XBBYQOBLSA-N 0 0 128.240 2.458 10 0 AEAERN CCOc1cc(C)ccc1OC 144164042 344025134 /nfs/dbraw/zinc/02/51/34/344025134.db2.gz LNYCGPXAPUFTBY-UHFFFAOYSA-N 0 0 166.220 2.402 10 0 in-vitro AEAERN CCc1cc(F)c(N)cc1C 144183552 344025263 /nfs/dbraw/zinc/02/52/63/344025263.db2.gz CPQCEHRXQUCNBB-UHFFFAOYSA-N 0 0 153.200 2.279 10 0 AEAERN CCC(=O)c1nn(C)c2ccccc12 144176704 344025308 /nfs/dbraw/zinc/02/53/08/344025308.db2.gz TXVHTPBIEDWDSW-UHFFFAOYSA-N 0 0 188.230 2.166 10 0 AEAERN Cn1nccc1C1=CCCCC1 144291725 344025542 /nfs/dbraw/zinc/02/55/42/344025542.db2.gz OBIXNGGXFMTENC-UHFFFAOYSA-N 0 0 162.236 2.378 10 0 AEAERN CO[C@@H]1OCCc2cc(C)ccc21 144302557 344025566 /nfs/dbraw/zinc/02/55/66/344025566.db2.gz FARPQRDGSLGFNB-LLVKDONJSA-N 0 0 178.231 2.213 10 0 AEAERN CCOc1cc(O)c(F)c(F)c1 144298018 344025616 /nfs/dbraw/zinc/02/56/16/344025616.db2.gz GTBYSDWKLTVPTN-UHFFFAOYSA-N 0 0 174.146 2.069 10 0 AEAERN CCCc1coc(=S)[nH]1 144279810 344025637 /nfs/dbraw/zinc/02/56/37/344025637.db2.gz QMHXCUURNASXEU-UHFFFAOYSA-N 0 0 143.211 2.290 10 0 AEAERN CC(C)c1coc(=S)[nH]1 144280623 344025660 /nfs/dbraw/zinc/02/56/60/344025660.db2.gz JKTYHHSXVNNSBT-UHFFFAOYSA-N 0 0 143.211 2.461 10 0 AEAERN CCCc1c[nH]c(=S)o1 144278798 344025819 /nfs/dbraw/zinc/02/58/19/344025819.db2.gz LMPZHVQXCROFGQ-UHFFFAOYSA-N 0 0 143.211 2.290 10 0 AEAERN N#C[C@]1(C2CCCCC2)CCCN1 144322371 344026153 /nfs/dbraw/zinc/02/61/53/344026153.db2.gz IQQOBSHKJUPHNC-NSHDSACASA-N 0 0 178.279 2.212 10 0 AEAERN N#C[C@@]1(C2CCCCC2)CCCN1 144322576 344026194 /nfs/dbraw/zinc/02/61/94/344026194.db2.gz IQQOBSHKJUPHNC-LLVKDONJSA-N 0 0 178.279 2.212 10 0 AEAERN CCC(F)(F)C(=O)C1CC1 144348383 344026294 /nfs/dbraw/zinc/02/62/94/344026294.db2.gz AGPNUCZBCQWXHJ-UHFFFAOYSA-N 0 0 148.152 2.011 10 0 AEAERN CCCc1nc2c(CO)cccc2[nH]1 144367927 344026612 /nfs/dbraw/zinc/02/66/12/344026612.db2.gz KSFKAHQARADUOF-UHFFFAOYSA-N 0 0 190.246 2.008 10 0 AEAERN CC(C)=CCOc1cccnc1N 144380369 344026658 /nfs/dbraw/zinc/02/66/58/344026658.db2.gz SQGDARHNFKXOHN-UHFFFAOYSA-N 0 0 178.235 2.009 10 0 AEAERN Cc1cc(C=O)cc(F)c1C 144401786 344026781 /nfs/dbraw/zinc/02/67/81/344026781.db2.gz ZOXBDALHFUMOJD-UHFFFAOYSA-N 0 0 152.168 2.255 10 0 AEAERN COc1ccc(OC)c(C(C)=O)c1F 144394189 344026799 /nfs/dbraw/zinc/02/67/99/344026799.db2.gz QQWWAAOZDVQBAF-UHFFFAOYSA-N 0 0 198.193 2.046 10 0 AEAERN O[C@@H]1CC2(CCCCC2)CCO1 144450909 344027068 /nfs/dbraw/zinc/02/70/68/344027068.db2.gz PDKDTSFTQFGSSG-VIFPVBQESA-N 0 0 170.252 2.066 10 0 AEAERN O[C@H]1CC2(CCCCC2)CCO1 144451105 344026977 /nfs/dbraw/zinc/02/69/77/344026977.db2.gz PDKDTSFTQFGSSG-SECBINFHSA-N 0 0 170.252 2.066 10 0 AEAERN CNC(=O)C(C)(C)Cc1cccs1 144433411 344027021 /nfs/dbraw/zinc/02/70/21/344027021.db2.gz UAOYFVKQHRPWSP-UHFFFAOYSA-N 0 0 197.303 2.063 10 0 AEAERN Cc1ccc(O)c(F)c1Cl 144456449 344027157 /nfs/dbraw/zinc/02/71/57/344027157.db2.gz YUUZCIAKUSYPQV-UHFFFAOYSA-N 0 0 160.575 2.493 10 0 AEAERN Cc1ccc([C@H]2NC(=O)O[C@H]2C)cc1 144513722 344027369 /nfs/dbraw/zinc/02/73/69/344027369.db2.gz VXLKSKASXCLDKF-WPRPVWTQSA-N 0 0 191.230 2.164 10 0 AEAERN COc1ccnc(C)c1Cl 144502152 344027486 /nfs/dbraw/zinc/02/74/86/344027486.db2.gz IBCPSQPJDMWEKZ-UHFFFAOYSA-N 0 0 157.600 2.052 10 0 AEAERN COCCC1(CO)CCCCCC1 144556389 344027521 /nfs/dbraw/zinc/02/75/21/344027521.db2.gz BEDCYCPITNVYEQ-UHFFFAOYSA-N 0 0 186.295 2.356 10 0 AEAERN COc1ccc2cc(C=O)ccc2n1 144549345 344027578 /nfs/dbraw/zinc/02/75/78/344027578.db2.gz PVQDQHVPDFUBKO-UHFFFAOYSA-N 0 0 187.198 2.056 10 0 AEAERN CCc1ccccc1-n1nccc1N 144534531 344027618 /nfs/dbraw/zinc/02/76/18/344027618.db2.gz FSUXVENMPXTAHD-UHFFFAOYSA-N 0 0 187.246 2.017 10 0 AEAERN COCOc1cccc2c1CCCN2 144534941 344027717 /nfs/dbraw/zinc/02/77/17/344027717.db2.gz HDMXTXQEPWVMBX-UHFFFAOYSA-N 0 0 193.246 2.027 10 0 AEAERN Cc1ccc([C@@H]2NC(=O)O[C@@H]2C)cc1 144514377 344027771 /nfs/dbraw/zinc/02/77/71/344027771.db2.gz VXLKSKASXCLDKF-PSASIEDQSA-N 0 0 191.230 2.164 10 0 AEAERN C#CCOc1ccc(C)nc1Cl 144579539 344027894 /nfs/dbraw/zinc/02/78/94/344027894.db2.gz IPMLKTJRBSHHEB-UHFFFAOYSA-N 0 0 181.622 2.055 10 0 AEAERN Cc1cc(C=O)c([N+](=O)[O-])cc1Cl 144573021 344027905 /nfs/dbraw/zinc/02/79/05/344027905.db2.gz CDSJCQBDCMSWLZ-UHFFFAOYSA-N 0 0 199.593 2.369 10 0 AEAERN COC(=O)Cc1sccc1Cl 144624852 344027942 /nfs/dbraw/zinc/02/79/42/344027942.db2.gz LGNNQZRBYUKRBQ-UHFFFAOYSA-N 0 0 190.651 2.117 10 0 AEAERN Cc1cc(N)n([C@@H](C)C(C)(C)C)n1 144594511 344027961 /nfs/dbraw/zinc/02/79/61/344027961.db2.gz MNAPHRRIILEVND-QMMMGPOBSA-N 0 0 181.283 2.381 10 0 AEAERN N#Cc1ccc(CC=O)c(Cl)c1F 144613379 344027978 /nfs/dbraw/zinc/02/79/78/344027978.db2.gz PPTKXQMDVMZGQK-UHFFFAOYSA-N 0 0 197.596 2.092 10 0 AEAERN CC(C)(F)c1ccccn1 144560791 344028134 /nfs/dbraw/zinc/02/81/34/344028134.db2.gz RSNJJYOUESPAKJ-UHFFFAOYSA-N 0 0 139.173 2.286 10 0 AEAERN Cc1cc(N)n([C@H](C)C(C)(C)C)n1 144594315 344028156 /nfs/dbraw/zinc/02/81/56/344028156.db2.gz MNAPHRRIILEVND-MRVPVSSYSA-N 0 0 181.283 2.381 10 0 AEAERN Oc1cccc2c1CC(F)(F)C2 144613760 344028174 /nfs/dbraw/zinc/02/81/74/344028174.db2.gz SDTOPPSXYCUSDO-UHFFFAOYSA-N 0 0 170.158 2.126 10 0 AEAERN CCC1(CCCO)CCC1 144665529 344028441 /nfs/dbraw/zinc/02/84/41/344028441.db2.gz JMXFGWGJFRFSKK-UHFFFAOYSA-N 0 0 142.242 2.339 10 0 AEAERN COC(=O)Cc1ccsc1Cl 144625264 344028542 /nfs/dbraw/zinc/02/85/42/344028542.db2.gz NRGAITVYGQHMHM-UHFFFAOYSA-N 0 0 190.651 2.117 10 0 AEAERN COc1c(Cl)cc(N)cc1C(C)=O 144662528 344028554 /nfs/dbraw/zinc/02/85/54/344028554.db2.gz MFALOFCPXWKTFS-UHFFFAOYSA-N 0 0 199.637 2.133 10 0 AEAERN O=Cc1cc(O)c2c(c1)CCCC2 144744958 344029073 /nfs/dbraw/zinc/02/90/73/344029073.db2.gz RTFNBIKJRDHATP-UHFFFAOYSA-N 0 0 176.215 2.084 10 0 AEAERN Cc1cccc(C(=O)N2CC(C)C2)c1 144738380 344029127 /nfs/dbraw/zinc/02/91/27/344029127.db2.gz QWNXRYWUSSDGNO-UHFFFAOYSA-N 0 0 189.258 2.087 10 0 AEAERN CCOC(=O)c1ccc(C(F)F)o1 144763853 344029257 /nfs/dbraw/zinc/02/92/57/344029257.db2.gz TWBXJQALABVVIR-UHFFFAOYSA-N 0 0 190.145 2.394 10 0 AEAERN CSCc1nnc(C2CC2)s1 144746211 344029458 /nfs/dbraw/zinc/02/94/58/344029458.db2.gz RSJSWAHURDALFI-UHFFFAOYSA-N 0 0 186.305 2.279 10 0 AEAERN CCNc1cc(C)ccc1C=O 144856550 344029687 /nfs/dbraw/zinc/02/96/87/344029687.db2.gz ZYNHMUFTESDSPW-UHFFFAOYSA-N 0 0 163.220 2.239 10 0 AEAERN Cc1ccc2c(c1)C(=O)CSC2 144872050 344029880 /nfs/dbraw/zinc/02/98/80/344029880.db2.gz BDIMYZODXCNHSS-UHFFFAOYSA-N 0 0 178.256 2.425 10 0 AEAERN Cc1nc(=O)c2scc(C)c2[n-]1 144924553 344030168 /nfs/dbraw/zinc/03/01/68/344030168.db2.gz KXFAWTXJYJHTPE-UHFFFAOYSA-N 0 0 180.232 2.014 10 0 AEAERN CC(=O)CCC1CC=CC1 144974842 344030293 /nfs/dbraw/zinc/03/02/93/344030293.db2.gz BBQCLWDWTAAFPA-UHFFFAOYSA-N 0 0 138.210 2.322 10 0 AEAERN N#CCN1Cc2cccc(Cl)c2C1 144950155 344030432 /nfs/dbraw/zinc/03/04/32/344030432.db2.gz DGJHGRJNZLEWSO-UHFFFAOYSA-N 0 0 192.649 2.179 10 0 AEAERN CCN1CCC[C@H]1C(F)(F)F 145036940 344030799 /nfs/dbraw/zinc/03/07/99/344030799.db2.gz BSAVIWMIVPAWBU-LURJTMIESA-N 0 0 167.174 2.033 10 0 AEAERN COC(=O)/C=C/c1ccc(C)cc1F 145005217 344030869 /nfs/dbraw/zinc/03/08/69/344030869.db2.gz WMFYTPZJSDCFKG-AATRIKPKSA-N 0 0 194.205 2.320 10 0 AEAERN CCN1CCC[C@@H]1C(F)(F)F 145036751 344030879 /nfs/dbraw/zinc/03/08/79/344030879.db2.gz BSAVIWMIVPAWBU-ZCFIWIBFSA-N 0 0 167.174 2.033 10 0 AEAERN C=COC(=O)c1ccc(F)cc1 145146482 344031192 /nfs/dbraw/zinc/03/11/92/344031192.db2.gz MZMYCGWPLOTYPQ-UHFFFAOYSA-N 0 0 166.151 2.126 10 0 AEAERN OCc1ccc(Cc2ccccc2)nc1 145117845 344031488 /nfs/dbraw/zinc/03/14/88/344031488.db2.gz HVOWMRNQIBYURC-UHFFFAOYSA-N 0 0 199.253 2.165 10 0 AEAERN CC(C)c1cc(CO)cs1 145152226 344031553 /nfs/dbraw/zinc/03/15/53/344031553.db2.gz NVTGPNZNXNNNLE-UHFFFAOYSA-N 0 0 156.250 2.364 10 0 AEAERN C=CCSc1ccnc(Cl)n1 145226524 344031704 /nfs/dbraw/zinc/03/17/04/344031704.db2.gz DYHPYMGNRNSXHS-UHFFFAOYSA-N 0 0 186.667 2.408 10 0 AEAERN OCc1cccc(SCC2CC2)n1 145226689 344031886 /nfs/dbraw/zinc/03/18/86/344031886.db2.gz MSSSTYFESHCYAG-UHFFFAOYSA-N 0 0 195.287 2.076 10 0 AEAERN CCc1cc(F)c(F)cc1O 145211495 344031946 /nfs/dbraw/zinc/03/19/46/344031946.db2.gz AMYVMRJHKVNXGH-UHFFFAOYSA-N 0 0 158.147 2.233 10 0 AEAERN CCCCOC(=O)/C=C/c1cc[nH]c1 145203045 344031978 /nfs/dbraw/zinc/03/19/78/344031978.db2.gz WANHYZRXIVBPSD-SNAWJCMRSA-N 0 0 193.246 2.371 10 0 AEAERN Oc1ccccc1Cc1nccs1 145313933 344032142 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Nc1ccc2c(c1)CCSC2 149770478 344070756 /nfs/dbraw/zinc/07/07/56/344070756.db2.gz WYMCVNKHNHTVJE-UHFFFAOYSA-N 0 0 165.261 2.058 10 0 AEAERN Cc1cc(NC(C)(C)C)nc(C)n1 149744784 344070802 /nfs/dbraw/zinc/07/08/02/344070802.db2.gz VXUIVCXAILSXKI-UHFFFAOYSA-N 0 0 179.267 2.304 10 0 AEAERN CCn1cc(C(C)=O)c2cccnc21 149758339 344071039 /nfs/dbraw/zinc/07/10/39/344071039.db2.gz UKTXYBXPCSPEIZ-UHFFFAOYSA-N 0 0 188.230 2.259 10 0 AEAERN Cc1ccc(C)n1N1CCCCC1 149800597 344071536 /nfs/dbraw/zinc/07/15/36/344071536.db2.gz WDBSYMLQQLJDIR-UHFFFAOYSA-N 0 0 178.279 2.227 10 0 AEAERN CC[C@H](C)Cc1csc(N)n1 149824473 344072090 /nfs/dbraw/zinc/07/20/90/344072090.db2.gz QMEMJQCZBZMQIS-LURJTMIESA-N 0 0 170.281 2.314 10 0 AEAERN C[C@@H]1CC[C@@H](c2nccc(Cl)n2)O1 149849414 344072093 /nfs/dbraw/zinc/07/20/93/344072093.db2.gz PXVCMLVZTFOZMT-RQJHMYQMSA-N 0 0 198.653 2.370 10 0 AEAERN C[C@@H]1CC[C@H](c2nccc(Cl)n2)O1 149849064 344072290 /nfs/dbraw/zinc/07/22/90/344072290.db2.gz PXVCMLVZTFOZMT-RNFRBKRXSA-N 0 0 198.653 2.370 10 0 AEAERN C[C@H]1CC[C@H](c2nccc(Cl)n2)O1 149849229 344072326 /nfs/dbraw/zinc/07/23/26/344072326.db2.gz PXVCMLVZTFOZMT-NKWVEPMBSA-N 0 0 198.653 2.370 10 0 AEAERN CC[C@@H](C)Cc1csc(N)n1 149824262 344072353 /nfs/dbraw/zinc/07/23/53/344072353.db2.gz QMEMJQCZBZMQIS-ZCFIWIBFSA-N 0 0 170.281 2.314 10 0 AEAERN C[C@H]1CC[C@@H](c2nccc(Cl)n2)O1 149849652 344072358 /nfs/dbraw/zinc/07/23/58/344072358.db2.gz PXVCMLVZTFOZMT-BQBZGAKWSA-N 0 0 198.653 2.370 10 0 AEAERN Fc1cc(OC2CCCCC2)ncn1 149876924 344072856 /nfs/dbraw/zinc/07/28/56/344072856.db2.gz XMMRXNMDDIWFMZ-UHFFFAOYSA-N 0 0 196.225 2.327 10 0 AEAERN C[C@H]1CC[C@@H](c2ncc(C=O)s2)O1 149897984 344073103 /nfs/dbraw/zinc/07/31/03/344073103.db2.gz POYXCTZAWWPITG-XPUUQOCRSA-N 0 0 197.259 2.196 10 0 AEAERN CC1(C)CCC[C@H](NC#N)C1 149916360 344073150 /nfs/dbraw/zinc/07/31/50/344073150.db2.gz NUZATJPOWICWDS-QMMMGPOBSA-N 0 0 152.241 2.026 10 0 AEAERN Cc1cccc(N(C)C(=O)C(C)C)n1 149903231 344073151 /nfs/dbraw/zinc/07/31/51/344073151.db2.gz IAUNKYLXJOFSOU-UHFFFAOYSA-N 0 0 192.262 2.009 10 0 AEAERN CC(C)[C@@H](C)Oc1cc(F)ncn1 149920337 344073183 /nfs/dbraw/zinc/07/31/83/344073183.db2.gz WYYPGQWCVZSZPQ-SSDOTTSWSA-N 0 0 184.214 2.039 10 0 AEAERN CN(C)Cc1nc2ccccc2s1 149918692 344073231 /nfs/dbraw/zinc/07/32/31/344073231.db2.gz PDESDHNZFBDKDM-UHFFFAOYSA-N 0 0 192.287 2.358 10 0 AEAERN C[C@@H]1CC[C@@H](c2ncc(C=O)s2)O1 149897780 344073277 /nfs/dbraw/zinc/07/32/77/344073277.db2.gz POYXCTZAWWPITG-SVRRBLITSA-N 0 0 197.259 2.196 10 0 AEAERN CC(C)[C@H](C)Oc1cc(F)ncn1 149920541 344073286 /nfs/dbraw/zinc/07/32/86/344073286.db2.gz WYYPGQWCVZSZPQ-ZETCQYMHSA-N 0 0 184.214 2.039 10 0 AEAERN C[C@@H]1CC[C@H](c2ncc(C=O)s2)O1 149897387 344073289 /nfs/dbraw/zinc/07/32/89/344073289.db2.gz POYXCTZAWWPITG-HTRCEHHLSA-N 0 0 197.259 2.196 10 0 AEAERN Fc1cc(OCC2CCCC2)ncn1 149919189 344073319 /nfs/dbraw/zinc/07/33/19/344073319.db2.gz LDEQJICPIWGEEU-UHFFFAOYSA-N 0 0 196.225 2.185 10 0 AEAERN COCCSCC(C)(C)C 149903957 344073323 /nfs/dbraw/zinc/07/33/23/344073323.db2.gz BMNYZKIKNPQUHV-UHFFFAOYSA-N 0 0 162.298 2.412 10 0 AEAERN C[C@H]1CC[C@H](c2ncc(C=O)s2)O1 149897590 344073336 /nfs/dbraw/zinc/07/33/36/344073336.db2.gz POYXCTZAWWPITG-POYBYMJQSA-N 0 0 197.259 2.196 10 0 AEAERN Cc1cc(F)c(C=O)cc1C 149899505 344073346 /nfs/dbraw/zinc/07/33/46/344073346.db2.gz GZZHIOQGRVBYNQ-UHFFFAOYSA-N 0 0 152.168 2.255 10 0 AEAERN CC1(C)CCC[C@@H](NC#N)C1 149916527 344073359 /nfs/dbraw/zinc/07/33/59/344073359.db2.gz NUZATJPOWICWDS-MRVPVSSYSA-N 0 0 152.241 2.026 10 0 AEAERN CC(C)[C@H](C)Nc1cc(F)ncn1 149926879 344073730 /nfs/dbraw/zinc/07/37/30/344073730.db2.gz JCRMXUVZZSIOHE-ZETCQYMHSA-N 0 0 183.230 2.072 10 0 AEAERN CCC(C)(C)Nc1cc(F)ncn1 149933378 344073772 /nfs/dbraw/zinc/07/37/72/344073772.db2.gz HBBMPIZPBFKFHG-UHFFFAOYSA-N 0 0 183.230 2.216 10 0 AEAERN CC(C)[C@@H](C)Nc1cc(F)ncn1 149926637 344073773 /nfs/dbraw/zinc/07/37/73/344073773.db2.gz JCRMXUVZZSIOHE-SSDOTTSWSA-N 0 0 183.230 2.072 10 0 AEAERN C[C@H]1CC[C@@H](c2nc(C=O)cs2)O1 149938028 344073881 /nfs/dbraw/zinc/07/38/81/344073881.db2.gz PDAYXMXGZYULFO-XPUUQOCRSA-N 0 0 197.259 2.196 10 0 AEAERN C[C@@H]1CC[C@@H](c2nc(C=O)cs2)O1 149937816 344073940 /nfs/dbraw/zinc/07/39/40/344073940.db2.gz PDAYXMXGZYULFO-SVRRBLITSA-N 0 0 197.259 2.196 10 0 AEAERN CCc1cc(=O)c2ccccc2n1C 149976238 344074257 /nfs/dbraw/zinc/07/42/57/344074257.db2.gz LOBSMKJJIZPJJE-UHFFFAOYSA-N 0 0 187.242 2.101 10 0 AEAERN CCCCc1ccnc(=S)[nH]1 149967514 344074371 /nfs/dbraw/zinc/07/43/71/344074371.db2.gz DBQDBZGNSLWHOS-UHFFFAOYSA-N 0 0 168.265 2.482 10 0 AEAERN CC(C)(O)C(=O)c1cccc(Cl)c1 149984129 344074808 /nfs/dbraw/zinc/07/48/08/344074808.db2.gz OJZPWKAJUWPZLA-UHFFFAOYSA-N 0 0 198.649 2.294 10 0 AEAERN CC[C@H](Nc1cc(F)ncn1)C(C)C 150020708 344075454 /nfs/dbraw/zinc/07/54/54/344075454.db2.gz GSGQNWXKBAGEKJ-QMMMGPOBSA-N 0 0 197.257 2.462 10 0 AEAERN CC[C@@H](Nc1cc(F)ncn1)C(C)C 150020914 344075496 /nfs/dbraw/zinc/07/54/96/344075496.db2.gz GSGQNWXKBAGEKJ-MRVPVSSYSA-N 0 0 197.257 2.462 10 0 AEAERN CC1(C)CCC[C@H](N2CCC(=O)C2)C1 150033072 344075533 /nfs/dbraw/zinc/07/55/33/344075533.db2.gz UPVLYEYVZZBLCY-JTQLQIEISA-N 0 0 195.306 2.230 10 0 AEAERN Nc1ccc(F)cc1C(=O)CC1CC1 150040048 344075644 /nfs/dbraw/zinc/07/56/44/344075644.db2.gz LHEXSXQHJAQNES-UHFFFAOYSA-N 0 0 193.221 2.391 10 0 AEAERN CC[C@H](C)[C@@](C)(O)c1ccc(F)cn1 150028949 344075654 /nfs/dbraw/zinc/07/56/54/344075654.db2.gz YRTPVXJQUQROLS-GZMMTYOYSA-N 0 0 197.253 2.474 10 0 AEAERN CC(C)(C)[C@@](C)(O)c1ccc(F)cn1 150067612 344075971 /nfs/dbraw/zinc/07/59/71/344075971.db2.gz WSBNGQGOXLMALB-NSHDSACASA-N 0 0 197.253 2.474 10 0 AEAERN Cc1cccc2ncc(O)cc12 150077287 344076274 /nfs/dbraw/zinc/07/62/74/344076274.db2.gz ZKNISBMWFKUBKI-UHFFFAOYSA-N 0 0 159.188 2.249 10 0 AEAERN CC[C@@H]1OCc2cccc(O)c21 150098025 344076487 /nfs/dbraw/zinc/07/64/87/344076487.db2.gz ZACWHYSROVLATH-VIFPVBQESA-N 0 0 164.204 2.374 10 0 AEAERN CC(C)C[C@@](C)(O)c1ccc(F)cn1 150096782 344076502 /nfs/dbraw/zinc/07/65/02/344076502.db2.gz LPFWGIQUXJKGSC-LLVKDONJSA-N 0 0 197.253 2.474 10 0 AEAERN C[C@@H](CC1CC1)Nc1cc(F)ncn1 150099186 344076611 /nfs/dbraw/zinc/07/66/11/344076611.db2.gz FMJHBJQYDZHMKY-ZETCQYMHSA-N 0 0 195.241 2.216 10 0 AEAERN CC(C)C[C@](C)(O)c1ccc(F)cn1 150096566 344076615 /nfs/dbraw/zinc/07/66/15/344076615.db2.gz LPFWGIQUXJKGSC-NSHDSACASA-N 0 0 197.253 2.474 10 0 AEAERN CC[C@H]1OCc2cccc(O)c21 150098232 344076663 /nfs/dbraw/zinc/07/66/63/344076663.db2.gz ZACWHYSROVLATH-SECBINFHSA-N 0 0 164.204 2.374 10 0 AEAERN C[C@H](CC1CC1)Nc1cc(F)ncn1 150099387 344076704 /nfs/dbraw/zinc/07/67/04/344076704.db2.gz FMJHBJQYDZHMKY-SSDOTTSWSA-N 0 0 195.241 2.216 10 0 AEAERN CC(C)[C@H](C)CNc1cc(F)ncn1 150110636 344076713 /nfs/dbraw/zinc/07/67/13/344076713.db2.gz QHLDTKWYIVDBMC-MRVPVSSYSA-N 0 0 197.257 2.320 10 0 AEAERN CC(C)[C@@H](C)CNc1cc(F)ncn1 150110407 344076756 /nfs/dbraw/zinc/07/67/56/344076756.db2.gz QHLDTKWYIVDBMC-QMMMGPOBSA-N 0 0 197.257 2.320 10 0 AEAERN CC(C)=C[C@@](C)(O)c1ccc(F)cn1 150117375 344077045 /nfs/dbraw/zinc/07/70/45/344077045.db2.gz RXAWMLNFIVUFPL-LLVKDONJSA-N 0 0 195.237 2.394 10 0 AEAERN CC(C)=C[C@](C)(O)c1ccc(F)cn1 150117176 344077051 /nfs/dbraw/zinc/07/70/51/344077051.db2.gz RXAWMLNFIVUFPL-NSHDSACASA-N 0 0 195.237 2.394 10 0 AEAERN COCOc1cccc2c1[C@H](C)OC2 150134482 344077186 /nfs/dbraw/zinc/07/71/86/344077186.db2.gz ABRAAMPGEYCQPD-QMMMGPOBSA-N 0 0 194.230 2.261 10 0 AEAERN Oc1cccc2c1C1(CCO2)CC1 150119221 344077258 /nfs/dbraw/zinc/07/72/58/344077258.db2.gz DLOUZGRDRUVDAJ-UHFFFAOYSA-N 0 0 176.215 2.206 10 0 AEAERN COCOc1cccc2c1[C@@H](C)OC2 150134241 344077274 /nfs/dbraw/zinc/07/72/74/344077274.db2.gz ABRAAMPGEYCQPD-MRVPVSSYSA-N 0 0 194.230 2.261 10 0 AEAERN Fc1cc(Nc2ccsc2)ncn1 150135227 344077297 /nfs/dbraw/zinc/07/72/97/344077297.db2.gz ZHZMFZJPDUYCTE-UHFFFAOYSA-N 0 0 195.222 2.421 10 0 AEAERN CC(C)C[C@](C)([NH3+])c1ccc(F)cn1 150161338 344077739 /nfs/dbraw/zinc/07/77/39/344077739.db2.gz ZXQFSYXBGASHJK-NSHDSACASA-N 0 0 196.269 2.441 10 0 AEAERN CCCSc1cc(F)ncn1 150167257 344077768 /nfs/dbraw/zinc/07/77/68/344077768.db2.gz IUWSOUKQYRGXJC-UHFFFAOYSA-N 0 0 172.228 2.118 10 0 AEAERN CC(C)Sc1cc(F)ncn1 150175297 344077770 /nfs/dbraw/zinc/07/77/70/344077770.db2.gz ZFIAJHQNDIECOL-UHFFFAOYSA-N 0 0 172.228 2.116 10 0 AEAERN CCOC(=O)c1ccc(F)cc1NC 150166931 344077774 /nfs/dbraw/zinc/07/77/74/344077774.db2.gz VPFGNMODLWRSMW-UHFFFAOYSA-N 0 0 197.209 2.044 10 0 AEAERN CC(C)[C@](C)([NH3+])c1ccc(F)cn1 150160928 344077850 /nfs/dbraw/zinc/07/78/50/344077850.db2.gz UBBXRJFJRMGNHQ-JTQLQIEISA-N 0 0 182.242 2.051 10 0 AEAERN Nc1c(O)ccc(Cl)c1Cl 150149643 344077943 /nfs/dbraw/zinc/07/79/43/344077943.db2.gz NZRNYAJFDPBMQD-UHFFFAOYSA-N 0 0 178.018 2.281 10 0 AEAERN CC(C)C[C@@](C)([NH3+])c1ccc(F)cn1 150161540 344077965 /nfs/dbraw/zinc/07/79/65/344077965.db2.gz ZXQFSYXBGASHJK-LLVKDONJSA-N 0 0 196.269 2.441 10 0 AEAERN CCc1cc(C)ccc1C(=O)OC 150204255 344078171 /nfs/dbraw/zinc/07/81/71/344078171.db2.gz LBEOUEQPXMEXFO-UHFFFAOYSA-N 0 0 178.231 2.344 10 0 AEAERN Cc1coc(NC(=O)OC(C)(C)C)n1 150228309 344078622 /nfs/dbraw/zinc/07/86/22/344078622.db2.gz FWOWYDPLLNCEEW-UHFFFAOYSA-N 0 0 198.222 2.330 10 0 AEAERN Cc1ncc(C(=O)C(F)(F)F)s1 150243517 344078831 /nfs/dbraw/zinc/07/88/31/344078831.db2.gz QZGIXMMPLHNLOW-UHFFFAOYSA-N 0 0 195.165 2.197 10 0 AEAERN CNc1ccc(N2CC=CC2)cc1 150248013 344078893 /nfs/dbraw/zinc/07/88/93/344078893.db2.gz AWGMHDVXKIIAFW-UHFFFAOYSA-N 0 0 174.247 2.105 10 0 AEAERN Cc1cc(F)c(OC(F)(F)F)cn1 150292848 344079078 /nfs/dbraw/zinc/07/90/78/344079078.db2.gz JICNBVRDAFMJKD-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Nc1cc(F)c(F)c(CCl)c1 150269026 344079140 /nfs/dbraw/zinc/07/91/40/344079140.db2.gz NLJIHVBFHSCZBQ-UHFFFAOYSA-N 0 0 177.581 2.286 10 0 AEAERN Cn1ccc2cc(F)c(Cl)nc21 150281316 344079313 /nfs/dbraw/zinc/07/93/13/344079313.db2.gz QWHUCZYTYNKJCN-UHFFFAOYSA-N 0 0 184.601 2.366 10 0 AEAERN CSCc1cc(N)cc(F)c1F 150312139 344079658 /nfs/dbraw/zinc/07/96/58/344079658.db2.gz QIJHUGURWLZAII-UHFFFAOYSA-N 0 0 189.230 2.410 10 0 AEAERN 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156190046 344082066 /nfs/dbraw/zinc/08/20/66/344082066.db2.gz IUNJHOIOGOQIKU-LURJTMIESA-N 0 0 152.184 2.049 10 0 AEAERN CC[C@H](C)c1nccnc1NC 156242891 344082325 /nfs/dbraw/zinc/08/23/25/344082325.db2.gz JPNALMLGWQDSPI-ZETCQYMHSA-N 0 0 165.240 2.032 10 0 AEAERN CC[C@@H](C)c1nccnc1NC 156242776 344082363 /nfs/dbraw/zinc/08/23/63/344082363.db2.gz JPNALMLGWQDSPI-SSDOTTSWSA-N 0 0 165.240 2.032 10 0 AEAERN CCn1cc2c(c1)C(=O)CCC2 156228907 344082808 /nfs/dbraw/zinc/08/28/08/344082808.db2.gz XNVYBVQTSBEFAT-UHFFFAOYSA-N 0 0 163.220 2.027 10 0 AEAERN FC1(c2ccccc2Cl)CNC1 156387117 344084473 /nfs/dbraw/zinc/08/44/73/344084473.db2.gz IXTNIDQSNJGMEC-UHFFFAOYSA-N 0 0 185.629 2.108 10 0 AEAERN FC1(c2ccc(Cl)cc2)CNC1 156385122 344084858 /nfs/dbraw/zinc/08/48/58/344084858.db2.gz DGCXUCKMOHDRFD-UHFFFAOYSA-N 0 0 185.629 2.108 10 0 AEAERN C[C@H](O)CCn1ccc2ccccc21 156392127 344085283 /nfs/dbraw/zinc/08/52/83/344085283.db2.gz OUDLOJPJICKZNM-JTQLQIEISA-N 0 0 189.258 2.412 10 0 AEAERN FC1(c2cccc(Cl)c2)CNC1 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LLLYMKXAFMGIPK-UHFFFAOYSA-N 0 0 176.263 2.177 10 0 AEAERN CCCCc1nnc(Cl)o1 157736190 344112263 /nfs/dbraw/zinc/11/22/63/344112263.db2.gz QGKBXKJKXVXVCA-UHFFFAOYSA-N 0 0 160.604 2.066 10 0 AEAERN Cc1cccnc1-c1nnc(Cl)o1 157739861 344112388 /nfs/dbraw/zinc/11/23/88/344112388.db2.gz CRWXKPUCEIEMRX-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN CC(C)CCc1nnc(Cl)o1 157738448 344112442 /nfs/dbraw/zinc/11/24/42/344112442.db2.gz VQYAHJVYZXRTTQ-UHFFFAOYSA-N 0 0 174.631 2.312 10 0 AEAERN Cc1cc(-c2ccco2)cnc1N 157743139 344112462 /nfs/dbraw/zinc/11/24/62/344112462.db2.gz JMAHIFVUDDGYJB-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN C[C@H]1C[C@]1(O)CC1CCSCC1 157756026 344112861 /nfs/dbraw/zinc/11/28/61/344112861.db2.gz AMHNTZWJNJOBAB-WPRPVWTQSA-N 0 0 186.320 2.291 10 0 AEAERN Cc1cccc(-c2nnc(Cl)o2)n1 157745058 344112931 /nfs/dbraw/zinc/11/29/31/344112931.db2.gz LWXHPJUJYCYDEV-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN C[C@@H]1C[C@@]1(O)CC1CCSCC1 157756179 344112963 /nfs/dbraw/zinc/11/29/63/344112963.db2.gz AMHNTZWJNJOBAB-PSASIEDQSA-N 0 0 186.320 2.291 10 0 AEAERN C[C@@H]1C[C@]1(O)CC1CCSCC1 157755892 344112990 /nfs/dbraw/zinc/11/29/90/344112990.db2.gz AMHNTZWJNJOBAB-SCZZXKLOSA-N 0 0 186.320 2.291 10 0 AEAERN Clc1nnc(-c2ccsc2)o1 157744601 344113135 /nfs/dbraw/zinc/11/31/35/344113135.db2.gz GYRUSRGFCWBAIK-UHFFFAOYSA-N 0 0 186.623 2.452 10 0 AEAERN C[C@H]1C[C@@]1(O)CC1CCSCC1 157756338 344113175 /nfs/dbraw/zinc/11/31/75/344113175.db2.gz AMHNTZWJNJOBAB-WCBMZHEXSA-N 0 0 186.320 2.291 10 0 AEAERN CCn1cc2c(c1)C(=O)CCCC2 157750477 344113183 /nfs/dbraw/zinc/11/31/83/344113183.db2.gz DLKZUVGHPKUZSU-UHFFFAOYSA-N 0 0 177.247 2.417 10 0 AEAERN Cc1ccoc1-c1nnc(Cl)o1 157744926 344113218 /nfs/dbraw/zinc/11/32/18/344113218.db2.gz FDNWCNLNPMQMDV-UHFFFAOYSA-N 0 0 184.582 2.291 10 0 AEAERN CC(C)[C@H](C)c1nnc(Cl)o1 157769842 344113526 /nfs/dbraw/zinc/11/35/26/344113526.db2.gz BDGYHQWCIDZWAQ-YFKPBYRVSA-N 0 0 174.631 2.483 10 0 AEAERN Cc1nc2c(C)cc(N)cn2c1Cl 157763063 344113683 /nfs/dbraw/zinc/11/36/83/344113683.db2.gz MHUIVTAFGXNKOA-UHFFFAOYSA-N 0 0 195.653 2.187 10 0 AEAERN Clc1nnc(C2CCCC2)o1 157758972 344113795 /nfs/dbraw/zinc/11/37/95/344113795.db2.gz CHCYUPVPQHTERL-UHFFFAOYSA-N 0 0 172.615 2.381 10 0 AEAERN CCC(C)(C)c1nnc(Cl)o1 157769207 344113931 /nfs/dbraw/zinc/11/39/31/344113931.db2.gz LZTOUBPMJMLAPR-UHFFFAOYSA-N 0 0 174.631 2.411 10 0 AEAERN CC(C)[C@@H](C)c1nnc(Cl)o1 157769688 344113924 /nfs/dbraw/zinc/11/39/24/344113924.db2.gz BDGYHQWCIDZWAQ-RXMQYKEDSA-N 0 0 174.631 2.483 10 0 AEAERN Cc1cncc(-c2nnc(Cl)o2)c1 157798947 344114093 /nfs/dbraw/zinc/11/40/93/344114093.db2.gz OIEKCXZIXLLZFW-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN CC[C@H](C)c1nnc(Cl)o1 157784997 344114127 /nfs/dbraw/zinc/11/41/27/344114127.db2.gz QORRHOMVXJFQTK-BYPYZUCNSA-N 0 0 160.604 2.237 10 0 AEAERN COc1cnccc1[C@H]([NH3+])C=C(C)C 157783993 344114182 /nfs/dbraw/zinc/11/41/82/344114182.db2.gz CXFLYUGDAZFHEI-SNVBAGLBSA-N 0 0 192.262 2.056 10 0 AEAERN Cc1ccc(-c2nnc(Cl)o2)o1 157796085 344114192 /nfs/dbraw/zinc/11/41/92/344114192.db2.gz BHFJGMYQJFPFTF-UHFFFAOYSA-N 0 0 184.582 2.291 10 0 AEAERN COc1cnccc1[C@@H]([NH3+])C=C(C)C 157783849 344114252 /nfs/dbraw/zinc/11/42/52/344114252.db2.gz CXFLYUGDAZFHEI-JTQLQIEISA-N 0 0 192.262 2.056 10 0 AEAERN Cc1ncccc1-c1nnc(Cl)o1 157789970 344114276 /nfs/dbraw/zinc/11/42/76/344114276.db2.gz VKVVRGPROYUXNN-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN Clc1nnc([C@H]2CCCS2)o1 157798090 344114305 /nfs/dbraw/zinc/11/43/05/344114305.db2.gz PHFNPMPRJKHBSH-SCSAIBSYSA-N 0 0 190.655 2.291 10 0 AEAERN Cc1ccc(-c2nnc(Cl)o2)cn1 157777145 344114313 /nfs/dbraw/zinc/11/43/13/344114313.db2.gz NQUHGTWGZMBSOG-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN Cc1ccc(N)c(N2CC[C@H]2C)c1 157793619 344114337 /nfs/dbraw/zinc/11/43/37/344114337.db2.gz PLRVWHPWVQNWEB-SECBINFHSA-N 0 0 176.263 2.176 10 0 AEAERN Cc1ccc(N)c(N2CC3(CC3)C2)c1 157793921 344114348 /nfs/dbraw/zinc/11/43/48/344114348.db2.gz SQGJWGOWSRMLKP-UHFFFAOYSA-N 0 0 188.274 2.177 10 0 AEAERN Cc1occc1-c1nnc(Cl)o1 157794829 344114357 /nfs/dbraw/zinc/11/43/57/344114357.db2.gz XVVQTPHRKCWXFL-UHFFFAOYSA-N 0 0 184.582 2.291 10 0 AEAERN CCOc1nc2c(F)c(F)ccc2[nH]1 157785598 344114379 /nfs/dbraw/zinc/11/43/79/344114379.db2.gz NAPRGVJBGCGQJX-UHFFFAOYSA-N 0 0 198.172 2.240 10 0 AEAERN CC(C)=CCOc1cccnc1 157798865 344114403 /nfs/dbraw/zinc/11/44/03/344114403.db2.gz HCHKLHXCHYZQJN-UHFFFAOYSA-N 0 0 163.220 2.427 10 0 AEAERN Cc1ccc(N)c(N2CC[C@@H]2C)c1 157793457 344114406 /nfs/dbraw/zinc/11/44/06/344114406.db2.gz PLRVWHPWVQNWEB-VIFPVBQESA-N 0 0 176.263 2.176 10 0 AEAERN CC(C)(C)Cc1nnc(Cl)o1 157792754 344114438 /nfs/dbraw/zinc/11/44/38/344114438.db2.gz GQTUMBLDXITLRW-UHFFFAOYSA-N 0 0 174.631 2.312 10 0 AEAERN CCCC(=O)Nc1cc(C)ccc1N 157791381 344114472 /nfs/dbraw/zinc/11/44/72/344114472.db2.gz LVAOGFAXLUHAKK-UHFFFAOYSA-N 0 0 192.262 2.316 10 0 AEAERN CCC1CN(c2cc(C)ccc2N)C1 157794089 344114477 /nfs/dbraw/zinc/11/44/77/344114477.db2.gz HXZONTIXMRHLLF-UHFFFAOYSA-N 0 0 190.290 2.423 10 0 AEAERN Cc1ccc(N)c(N2CC(C)(C)C2)c1 157794236 344114492 /nfs/dbraw/zinc/11/44/92/344114492.db2.gz KZCGHDWQXBJCSB-UHFFFAOYSA-N 0 0 190.290 2.423 10 0 AEAERN Clc1nnc([C@@H]2CCCS2)o1 157798215 344114495 /nfs/dbraw/zinc/11/44/95/344114495.db2.gz PHFNPMPRJKHBSH-BYPYZUCNSA-N 0 0 190.655 2.291 10 0 AEAERN c1cncc(OCC2CCC2)c1 157800123 344114748 /nfs/dbraw/zinc/11/47/48/344114748.db2.gz OGUZCSBNXQIHCV-UHFFFAOYSA-N 0 0 163.220 2.261 10 0 AEAERN C[C@H](c1nnc(Cl)o1)C1CC1 157801210 344114772 /nfs/dbraw/zinc/11/47/72/344114772.db2.gz AKLKXCPGKYJOGM-BYPYZUCNSA-N 0 0 172.615 2.237 10 0 AEAERN CNc1nccnc1C1CCCC1 157811208 344114779 /nfs/dbraw/zinc/11/47/79/344114779.db2.gz GMHLOBUWKKEAQY-UHFFFAOYSA-N 0 0 177.251 2.176 10 0 AEAERN C[C@@H]1CCC[C@@H](c2ncc[nH]c2=O)C1 157802890 344114802 /nfs/dbraw/zinc/11/48/02/344114802.db2.gz HPLFSURYXHYDNP-RKDXNWHRSA-N 0 0 192.262 2.064 10 0 AEAERN C[C@H]1CCC[C@H](c2ncc[nH]c2=O)C1 157802756 344114835 /nfs/dbraw/zinc/11/48/35/344114835.db2.gz HPLFSURYXHYDNP-IUCAKERBSA-N 0 0 192.262 2.064 10 0 AEAERN CCNc1nccnc1[C@H](C)CC 157813382 344114876 /nfs/dbraw/zinc/11/48/76/344114876.db2.gz OPUNAZHBQSGQAP-MRVPVSSYSA-N 0 0 179.267 2.422 10 0 AEAERN CNc1nccnc1CC(C)(C)C 157812629 344114905 /nfs/dbraw/zinc/11/49/05/344114905.db2.gz IDLFIJDSWQCTFZ-UHFFFAOYSA-N 0 0 179.267 2.107 10 0 AEAERN C[C@H]1CCC[C@@H](c2ncc[nH]c2=O)C1 157803045 344114911 /nfs/dbraw/zinc/11/49/11/344114911.db2.gz HPLFSURYXHYDNP-DTWKUNHWSA-N 0 0 192.262 2.064 10 0 AEAERN Clc1nccnc1[C@H]1CCCOC1 157807719 344114990 /nfs/dbraw/zinc/11/49/90/344114990.db2.gz STSRXJAFQZCGFH-ZETCQYMHSA-N 0 0 198.653 2.024 10 0 AEAERN Nc1nccnc1CC1CCCCC1 157808935 344114995 /nfs/dbraw/zinc/11/49/95/344114995.db2.gz VKMNEOKHYAMIGD-UHFFFAOYSA-N 0 0 191.278 2.182 10 0 AEAERN C[C@@H](c1nnc(Cl)o1)C1CC1 157801061 344114999 /nfs/dbraw/zinc/11/49/99/344114999.db2.gz AKLKXCPGKYJOGM-SCSAIBSYSA-N 0 0 172.615 2.237 10 0 AEAERN Clc1nccnc1[C@@H]1CCCOC1 157807593 344115060 /nfs/dbraw/zinc/11/50/60/344115060.db2.gz STSRXJAFQZCGFH-SSDOTTSWSA-N 0 0 198.653 2.024 10 0 AEAERN O=c1[nH]ccnc1C1CCCCCC1 157801658 344115072 /nfs/dbraw/zinc/11/50/72/344115072.db2.gz DJWGMOWSSHHZGD-UHFFFAOYSA-N 0 0 192.262 2.208 10 0 AEAERN CC1CCC(c2ncc[nH]c2=O)CC1 157803845 344115074 /nfs/dbraw/zinc/11/50/74/344115074.db2.gz VMNJHKFNWOSWBS-UHFFFAOYSA-N 0 0 192.262 2.064 10 0 AEAERN C[C@@H]1CCC[C@H](c2ncc[nH]c2=O)C1 157802604 344115096 /nfs/dbraw/zinc/11/50/96/344115096.db2.gz HPLFSURYXHYDNP-BDAKNGLRSA-N 0 0 192.262 2.064 10 0 AEAERN CCNc1nccnc1[C@@H](C)CC 157813525 344115657 /nfs/dbraw/zinc/11/56/57/344115657.db2.gz OPUNAZHBQSGQAP-QMMMGPOBSA-N 0 0 179.267 2.422 10 0 AEAERN Cc1oc(C)c([C@@H](NN)C2CC2)c1C 157862130 344115316 /nfs/dbraw/zinc/11/53/16/344115316.db2.gz SSBJHOVNUSTJQW-NSHDSACASA-N 0 0 194.278 2.119 10 0 AEAERN CC(C)(CO)C[C@H]1CCC(C)(C)O1 157822564 344115403 /nfs/dbraw/zinc/11/54/03/344115403.db2.gz KFAIVEHFZPKTKJ-SECBINFHSA-N 0 0 186.295 2.353 10 0 AEAERN CCNc1nccnc1C(C)(C)C 157813841 344115490 /nfs/dbraw/zinc/11/54/90/344115490.db2.gz UMMCHKHPDFNGRJ-UHFFFAOYSA-N 0 0 179.267 2.206 10 0 AEAERN CC(C)(CO)C[C@@H]1CCC(C)(C)O1 157822720 344115593 /nfs/dbraw/zinc/11/55/93/344115593.db2.gz KFAIVEHFZPKTKJ-VIFPVBQESA-N 0 0 186.295 2.353 10 0 AEAERN CCNc1nccnc1CC(C)(C)C 157814446 344115617 /nfs/dbraw/zinc/11/56/17/344115617.db2.gz NDDYTJUQFRFVTN-UHFFFAOYSA-N 0 0 193.294 2.497 10 0 AEAERN CCNc1nccnc1C1CCC1 157814000 344115664 /nfs/dbraw/zinc/11/56/64/344115664.db2.gz OTTFUIOMPBKYDF-UHFFFAOYSA-N 0 0 177.251 2.176 10 0 AEAERN CSCc1nc(C)cs1 157979271 344116936 /nfs/dbraw/zinc/11/69/36/344116936.db2.gz GNKZBRIXOLZFAS-UHFFFAOYSA-N 0 0 159.279 2.315 10 0 AEAERN CCc1ccc(C2(F)CNC2)cc1 158126068 344119144 /nfs/dbraw/zinc/11/91/44/344119144.db2.gz XNSDZIUKPCHRKI-UHFFFAOYSA-N 0 0 179.238 2.017 10 0 AEAERN Cc1cc(C)cc(C2(F)CNC2)c1 158129614 344119101 /nfs/dbraw/zinc/11/91/01/344119101.db2.gz QLGOJYMOQJRJAQ-UHFFFAOYSA-N 0 0 179.238 2.071 10 0 AEAERN Cc1cccc(C2(F)CNC2)c1C 158126887 344119173 /nfs/dbraw/zinc/11/91/73/344119173.db2.gz JJEOODFQVHIMTA-UHFFFAOYSA-N 0 0 179.238 2.071 10 0 AEAERN FC1(Cc2ccccc2Cl)CNC1 158123626 344119415 /nfs/dbraw/zinc/11/94/15/344119415.db2.gz XPWBNARUJNKYDK-UHFFFAOYSA-N 0 0 199.656 2.194 10 0 AEAERN Cc1ccc(C2(F)CNC2)c(C)c1 158113743 344119431 /nfs/dbraw/zinc/11/94/31/344119431.db2.gz RLFDBIUQPIDKHR-UHFFFAOYSA-N 0 0 179.238 2.071 10 0 AEAERN Cc1ccc(C)c(C2(F)CNC2)c1 158119079 344119517 /nfs/dbraw/zinc/11/95/17/344119517.db2.gz XAPRDPJEXDAKLN-UHFFFAOYSA-N 0 0 179.238 2.071 10 0 AEAERN FC1(CCCc2ccccc2)C[NH2+]C1 158116554 344119585 /nfs/dbraw/zinc/11/95/85/344119585.db2.gz CAGLSBAQTBGUBC-UHFFFAOYSA-N 0 0 193.265 2.321 10 0 AEAERN CCc1cccc(C2(F)CNC2)c1 158130361 344119922 /nfs/dbraw/zinc/11/99/22/344119922.db2.gz SOJZCOOYVFAAFU-UHFFFAOYSA-N 0 0 179.238 2.017 10 0 AEAERN Cc1ccc(C2(F)CNC2)cc1C 158133294 344120144 /nfs/dbraw/zinc/12/01/44/344120144.db2.gz OYGLOFWTDCQQAJ-UHFFFAOYSA-N 0 0 179.238 2.071 10 0 AEAERN Cc1ncccc1[C@@H](O)CC(C)C 158206957 344121295 /nfs/dbraw/zinc/12/12/95/344121295.db2.gz HETOZHUVQOTZGG-NSHDSACASA-N 0 0 179.263 2.470 10 0 AEAERN Cc1ncccc1[C@H](O)CC(C)C 158206804 344121488 /nfs/dbraw/zinc/12/14/88/344121488.db2.gz HETOZHUVQOTZGG-LLVKDONJSA-N 0 0 179.263 2.470 10 0 AEAERN CCC(=O)c1ccc(C)nc1C 158253638 344122540 /nfs/dbraw/zinc/12/25/40/344122540.db2.gz STDINZQXSTVBPW-UHFFFAOYSA-N 0 0 163.220 2.291 10 0 AEAERN CCC(=O)c1cccc2c1OCCO2 158253297 344122711 /nfs/dbraw/zinc/12/27/11/344122711.db2.gz FIXPUEJWYSBVTM-UHFFFAOYSA-N 0 0 192.214 2.051 10 0 AEAERN CCCC(=O)c1csc(C)n1 158279298 344123078 /nfs/dbraw/zinc/12/30/78/344123078.db2.gz NLXNVFYESOBBIL-UHFFFAOYSA-N 0 0 169.249 2.434 10 0 AEAERN CCCC(=O)c1scnc1C 158281087 344123196 /nfs/dbraw/zinc/12/31/96/344123196.db2.gz UMXFKJDCCIIGSX-UHFFFAOYSA-N 0 0 169.249 2.434 10 0 AEAERN O=C(c1ccnnc1)C1CCCCC1 158267438 344123209 /nfs/dbraw/zinc/12/32/09/344123209.db2.gz GQZDDLAUGULCOF-UHFFFAOYSA-N 0 0 190.246 2.240 10 0 AEAERN O=C(c1csnn1)C1CCCCC1 158271328 344123317 /nfs/dbraw/zinc/12/33/17/344123317.db2.gz YHFHXNSNQLPLBN-UHFFFAOYSA-N 0 0 196.275 2.301 10 0 AEAERN Cc1nnsc1C(=O)CC(C)C 158367289 344124579 /nfs/dbraw/zinc/12/45/79/344124579.db2.gz IKLFPAAEFCSKHP-UHFFFAOYSA-N 0 0 184.264 2.075 10 0 AEAERN Clc1noc(CCc2ccco2)n1 158586139 344128877 /nfs/dbraw/zinc/12/88/77/344128877.db2.gz GXYBITXBGCXYFK-UHFFFAOYSA-N 0 0 198.609 2.101 10 0 AEAERN CC(C)[C@@H](C)Nc1ncc(F)cn1 158587764 344128904 /nfs/dbraw/zinc/12/89/04/344128904.db2.gz UTUMJXXPINSICB-SSDOTTSWSA-N 0 0 183.230 2.072 10 0 AEAERN Cc1ccc(-c2nc(Cl)no2)cn1 158579175 344128974 /nfs/dbraw/zinc/12/89/74/344128974.db2.gz YMISPTXPMIQMJN-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN Cc1cccnc1-c1nc(Cl)no1 158580380 344129139 /nfs/dbraw/zinc/12/91/39/344129139.db2.gz GVSIGWHVMUGDMP-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN CC(C)[C@H](C)Nc1ncc(F)cn1 158587900 344129277 /nfs/dbraw/zinc/12/92/77/344129277.db2.gz UTUMJXXPINSICB-ZETCQYMHSA-N 0 0 183.230 2.072 10 0 AEAERN Cc1ncccc1-c1nc(Cl)no1 158590767 344129280 /nfs/dbraw/zinc/12/92/80/344129280.db2.gz SVMCPOBBIGAQPZ-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN C[C@@H](CC1CC1)Nc1ncc(F)cn1 158630764 344129608 /nfs/dbraw/zinc/12/96/08/344129608.db2.gz GMQHVSUEJBKGHL-ZETCQYMHSA-N 0 0 195.241 2.216 10 0 AEAERN Cc1cccc(-c2nc(Cl)no2)n1 158600995 344129624 /nfs/dbraw/zinc/12/96/24/344129624.db2.gz LECZNUMFIHBJFY-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN C[C@H](CC1CC1)Nc1ncc(F)cn1 158630881 344129704 /nfs/dbraw/zinc/12/97/04/344129704.db2.gz GMQHVSUEJBKGHL-SSDOTTSWSA-N 0 0 195.241 2.216 10 0 AEAERN CC[C@H](Nc1ncc(F)cn1)C(C)C 158614384 344129709 /nfs/dbraw/zinc/12/97/09/344129709.db2.gz PQIGLXIBUOTBCO-VIFPVBQESA-N 0 0 197.257 2.462 10 0 AEAERN Cc1cncc(-c2nc(Cl)no2)c1 158602407 344129721 /nfs/dbraw/zinc/12/97/21/344129721.db2.gz PPEIKASZITWGST-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN CC[C@@H](Nc1ncc(F)cn1)C(C)C 158614535 344129780 /nfs/dbraw/zinc/12/97/80/344129780.db2.gz PQIGLXIBUOTBCO-SECBINFHSA-N 0 0 197.257 2.462 10 0 AEAERN Cc1cc(F)cc([C@@H](O)C(F)F)c1 158731878 344131850 /nfs/dbraw/zinc/13/18/50/344131850.db2.gz WWRADUQAPYSSLJ-MRVPVSSYSA-N 0 0 190.164 2.433 10 0 AEAERN O[C@H](C[C@H]1Cc2ccccc21)C(F)F 158744864 344131540 /nfs/dbraw/zinc/13/15/40/344131540.db2.gz RAZUZNHASZPEFA-PSASIEDQSA-N 0 0 198.212 2.342 10 0 AEAERN O[C@H](C[C@@H]1Cc2ccccc21)C(F)F 158744984 344131543 /nfs/dbraw/zinc/13/15/43/344131543.db2.gz RAZUZNHASZPEFA-WCBMZHEXSA-N 0 0 198.212 2.342 10 0 AEAERN Cc1cc(F)cc([C@H](O)C(F)F)c1 158731716 344131645 /nfs/dbraw/zinc/13/16/45/344131645.db2.gz WWRADUQAPYSSLJ-QMMMGPOBSA-N 0 0 190.164 2.433 10 0 AEAERN O[C@@H](C[C@H]1Cc2ccccc21)C(F)F 158744565 344131794 /nfs/dbraw/zinc/13/17/94/344131794.db2.gz RAZUZNHASZPEFA-SCZZXKLOSA-N 0 0 198.212 2.342 10 0 AEAERN O[C@@H](C[C@@H]1Cc2ccccc21)C(F)F 158744718 344131871 /nfs/dbraw/zinc/13/18/71/344131871.db2.gz RAZUZNHASZPEFA-WPRPVWTQSA-N 0 0 198.212 2.342 10 0 AEAERN Cc1cc(N)c(Cl)cc1N(C)C 158731818 344131926 /nfs/dbraw/zinc/13/19/26/344131926.db2.gz 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/nfs/dbraw/zinc/18/67/12/344186712.db2.gz FCZGZFPYMNBGAL-SNVBAGLBSA-N 0 0 152.237 2.258 10 0 AEAERN Nc1ccc(SC2CCC2)cn1 161189984 344186725 /nfs/dbraw/zinc/18/67/25/344186725.db2.gz MRUCDLNPLKOWTN-UHFFFAOYSA-N 0 0 180.276 2.308 10 0 AEAERN Nc1cnccc1SC1CCC1 161189599 344186777 /nfs/dbraw/zinc/18/67/77/344186777.db2.gz ZIVZKDPERMYHLG-UHFFFAOYSA-N 0 0 180.276 2.308 10 0 AEAERN CCC(O)(CC)C1CCC1 161216654 344187027 /nfs/dbraw/zinc/18/70/27/344187027.db2.gz KUOOPXNMUJGHTG-UHFFFAOYSA-N 0 0 142.242 2.338 10 0 AEAERN CC(C)[C@](C)(O)C1CCC1 161216787 344187034 /nfs/dbraw/zinc/18/70/34/344187034.db2.gz AEDGKSOUHYNFKD-VIFPVBQESA-N 0 0 142.242 2.194 10 0 AEAERN OC1(C2CCC2)CCCC1 161211620 344187131 /nfs/dbraw/zinc/18/71/31/344187131.db2.gz CMBSKWXGTXESIJ-UHFFFAOYSA-N 0 0 140.226 2.092 10 0 AEAERN CC(C)[C@@](C)(O)C1CCC1 161216926 344187194 /nfs/dbraw/zinc/18/71/94/344187194.db2.gz AEDGKSOUHYNFKD-SECBINFHSA-N 0 0 142.242 2.194 10 0 AEAERN CC[C@@]1(C)C[C@@](O)(C2CCC2)CCO1 161236328 344187515 /nfs/dbraw/zinc/18/75/15/344187515.db2.gz OVKVVXNVYDSEAA-NWDGAFQWSA-N 0 0 198.306 2.497 10 0 AEAERN CC[C@]1(C)C[C@](O)(C2CCC2)CCO1 161235980 344187520 /nfs/dbraw/zinc/18/75/20/344187520.db2.gz OVKVVXNVYDSEAA-NEPJUHHUSA-N 0 0 198.306 2.497 10 0 AEAERN Cc1cc(CO)c(C)n1CC1CC1 161237552 344187543 /nfs/dbraw/zinc/18/75/43/344187543.db2.gz VBWLQNMOYSHFBN-UHFFFAOYSA-N 0 0 179.263 2.007 10 0 AEAERN CC[C@@](O)(C1CCC1)C1CC1 161242517 344187571 /nfs/dbraw/zinc/18/75/71/344187571.db2.gz GDBGXSZEZMKQLH-SNVBAGLBSA-N 0 0 154.253 2.338 10 0 AEAERN CCC[C@](C)(O)C1CCC1 161258609 344187593 /nfs/dbraw/zinc/18/75/93/344187593.db2.gz ZHVIFYBSGYVPCD-VIFPVBQESA-N 0 0 142.242 2.338 10 0 AEAERN CC[C@]1(C)C[C@@](O)(C2CCC2)CCO1 161236215 344187618 /nfs/dbraw/zinc/18/76/18/344187618.db2.gz OVKVVXNVYDSEAA-VXGBXAGGSA-N 0 0 198.306 2.497 10 0 AEAERN CC1(C)C[C@](O)(C2CCC2)CCO1 161235747 344187632 /nfs/dbraw/zinc/18/76/32/344187632.db2.gz VIAABVARFCBBMK-NSHDSACASA-N 0 0 184.279 2.107 10 0 AEAERN CCC[C@@](C)(O)C1CCC1 161258734 344187692 /nfs/dbraw/zinc/18/76/92/344187692.db2.gz ZHVIFYBSGYVPCD-SECBINFHSA-N 0 0 142.242 2.338 10 0 AEAERN CC1(C)C[C@@](O)(C2CCC2)CCO1 161235839 344187724 /nfs/dbraw/zinc/18/77/24/344187724.db2.gz VIAABVARFCBBMK-LLVKDONJSA-N 0 0 184.279 2.107 10 0 AEAERN CC[C@@]1(C)C[C@](O)(C2CCC2)CCO1 161236094 344187750 /nfs/dbraw/zinc/18/77/50/344187750.db2.gz OVKVVXNVYDSEAA-RYUDHWBXSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@](O)(c1ccc(O)cc1)C1CCC1 161274234 344188231 /nfs/dbraw/zinc/18/82/31/344188231.db2.gz MBLRACSHGHUJTK-GFCCVEGCSA-N 0 0 192.258 2.400 10 0 AEAERN C[C@@](O)(c1ccc(O)cc1)C1CCC1 161274109 344188362 /nfs/dbraw/zinc/18/83/62/344188362.db2.gz MBLRACSHGHUJTK-LBPRGKRZSA-N 0 0 192.258 2.400 10 0 AEAERN Cc1ccc([C@@H](O)C2CCC2)nc1 161262586 344188374 /nfs/dbraw/zinc/18/83/74/344188374.db2.gz IBALVIPVCJXPNM-NSHDSACASA-N 0 0 177.247 2.224 10 0 AEAERN C[C@H]1CC(O)(C2CCC2)C[C@H](C)O1 161268161 344188395 /nfs/dbraw/zinc/18/83/95/344188395.db2.gz VXOQXXWGIKONEJ-IUCAKERBSA-N 0 0 184.279 2.105 10 0 AEAERN C[C@@H]1CC(O)(C2CCC2)C[C@@H](C)O1 161268283 344188403 /nfs/dbraw/zinc/18/84/03/344188403.db2.gz VXOQXXWGIKONEJ-RKDXNWHRSA-N 0 0 184.279 2.105 10 0 AEAERN C[C@]1(C(=O)C2CCC2)CCCCO1 161302757 344188830 /nfs/dbraw/zinc/18/88/30/344188830.db2.gz LNBMLCSYFSLDHG-LLVKDONJSA-N 0 0 182.263 2.315 10 0 AEAERN O[C@]1(C2CCC2)C=CCCC1 161279350 344188654 /nfs/dbraw/zinc/18/86/54/344188654.db2.gz YZWBKVRCIRAQSY-SNVBAGLBSA-N 0 0 152.237 2.258 10 0 AEAERN O[C@@]1(C2CCC2)C=CCCC1 161279459 344188655 /nfs/dbraw/zinc/18/86/55/344188655.db2.gz YZWBKVRCIRAQSY-JTQLQIEISA-N 0 0 152.237 2.258 10 0 AEAERN Cc1ccnc(C(=O)C2CCC2)c1 161286015 344188691 /nfs/dbraw/zinc/18/86/91/344188691.db2.gz GVBQQWUQNCPLCP-UHFFFAOYSA-N 0 0 175.231 2.373 10 0 AEAERN Nc1ccc(F)cc1C(=O)C1CCC1 161305483 344188820 /nfs/dbraw/zinc/18/88/20/344188820.db2.gz CGEZXPPYSKQHSY-UHFFFAOYSA-N 0 0 193.221 2.391 10 0 AEAERN O=C(c1ncccc1F)C1CCC1 161303175 344188847 /nfs/dbraw/zinc/18/88/47/344188847.db2.gz NVKMWNLXOPIINC-UHFFFAOYSA-N 0 0 179.194 2.204 10 0 AEAERN O[C@@H](C[C@@H]1CCCCO1)C1CCC1 161348714 344189599 /nfs/dbraw/zinc/18/95/99/344189599.db2.gz AHJJKGGVQBPSLX-QWRGUYRKSA-N 0 0 184.279 2.107 10 0 AEAERN O=C(c1ccc(F)cn1)C1CCC1 161300205 344189076 /nfs/dbraw/zinc/18/90/76/344189076.db2.gz OLJQYUADZSSQDJ-UHFFFAOYSA-N 0 0 179.194 2.204 10 0 AEAERN C[C@@]1(C(=O)C2CCC2)CCCCO1 161302901 344189086 /nfs/dbraw/zinc/18/90/86/344189086.db2.gz LNBMLCSYFSLDHG-NSHDSACASA-N 0 0 182.263 2.315 10 0 AEAERN Cc1cccc(C(=O)C2CCC2)n1 161285885 344189089 /nfs/dbraw/zinc/18/90/89/344189089.db2.gz AIMJNMPINBZIQZ-UHFFFAOYSA-N 0 0 175.231 2.373 10 0 AEAERN CC1(C(=O)C2CCC2)CC1 161302297 344189097 /nfs/dbraw/zinc/18/90/97/344189097.db2.gz VMQAQNYFADCZHI-UHFFFAOYSA-N 0 0 138.210 2.156 10 0 AEAERN CC[C@H](C)[C@H](O)c1cc(C)nnc1C 161322426 344189223 /nfs/dbraw/zinc/18/92/23/344189223.db2.gz MZYGVTKGWCJLJO-CPCISQLKSA-N 0 0 194.278 2.173 10 0 AEAERN Cc1ccnc([C@@H](O)C2CCC2)c1 161311066 344189225 /nfs/dbraw/zinc/18/92/25/344189225.db2.gz LZCVLBKYBIWMSH-NSHDSACASA-N 0 0 177.247 2.224 10 0 AEAERN CC[C@@H](C)[C@H](O)c1cc(C)nnc1C 161322309 344189248 /nfs/dbraw/zinc/18/92/48/344189248.db2.gz MZYGVTKGWCJLJO-HQJQHLMTSA-N 0 0 194.278 2.173 10 0 AEAERN O[C@H](CC(F)(F)F)C1CCC1 161308637 344189271 /nfs/dbraw/zinc/18/92/71/344189271.db2.gz YDRDTVRSOCXCMW-ZCFIWIBFSA-N 0 0 168.158 2.100 10 0 AEAERN Cc1cccnc1[C@H](O)C1CCC1 161309162 344189286 /nfs/dbraw/zinc/18/92/86/344189286.db2.gz IUPLLLNZJIBYSA-LLVKDONJSA-N 0 0 177.247 2.224 10 0 AEAERN O[C@@H](CC(F)(F)F)C1CCC1 161308742 344189316 /nfs/dbraw/zinc/18/93/16/344189316.db2.gz YDRDTVRSOCXCMW-LURJTMIESA-N 0 0 168.158 2.100 10 0 AEAERN Nc1ccccc1[C@@H](O)C1CCC1 161313547 344189385 /nfs/dbraw/zinc/18/93/85/344189385.db2.gz IRSTYLYZCSNVNH-NSHDSACASA-N 0 0 177.247 2.102 10 0 AEAERN Cc1ccnc([C@H](O)C2CCC2)c1 161310955 344189404 /nfs/dbraw/zinc/18/94/04/344189404.db2.gz LZCVLBKYBIWMSH-LLVKDONJSA-N 0 0 177.247 2.224 10 0 AEAERN Cc1cccnc1[C@@H](O)C1CCC1 161309296 344189423 /nfs/dbraw/zinc/18/94/23/344189423.db2.gz IUPLLLNZJIBYSA-NSHDSACASA-N 0 0 177.247 2.224 10 0 AEAERN CC[C@@H](C)[C@@H](O)c1cc(C)nnc1C 161322554 344189486 /nfs/dbraw/zinc/18/94/86/344189486.db2.gz MZYGVTKGWCJLJO-RDDDGLTNSA-N 0 0 194.278 2.173 10 0 AEAERN CC[C@H](C)[C@@H](O)c1cc(C)nnc1C 161322682 344189488 /nfs/dbraw/zinc/18/94/88/344189488.db2.gz MZYGVTKGWCJLJO-WRWORJQWSA-N 0 0 194.278 2.173 10 0 AEAERN Nc1ccccc1[C@H](O)C1CCC1 161313413 344189507 /nfs/dbraw/zinc/18/95/07/344189507.db2.gz IRSTYLYZCSNVNH-LLVKDONJSA-N 0 0 177.247 2.102 10 0 AEAERN CC[C@@H](C)[C@H](O)c1c(C)nn(C)c1C 161340651 344189590 /nfs/dbraw/zinc/18/95/90/344189590.db2.gz WVZPRPWXNWZZOE-HQJQHLMTSA-N 0 0 196.294 2.116 10 0 AEAERN Cc1ccoc1-c1nc(N)cs1 161348084 344189624 /nfs/dbraw/zinc/18/96/24/344189624.db2.gz XGSSVBFSRJWNGA-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN O[C@H](C1CCC1)[C@@H]1CCCCS1 161341178 344189725 /nfs/dbraw/zinc/18/97/25/344189725.db2.gz LPLQZEHJEWPOHM-VHSXEESVSA-N 0 0 186.320 2.433 10 0 AEAERN CCc1cccnc1[C@@H](O)C1CCC1 161345881 344189735 /nfs/dbraw/zinc/18/97/35/344189735.db2.gz BESUBLYTERZAFE-LBPRGKRZSA-N 0 0 191.274 2.478 10 0 AEAERN CC[C@H](C)[C@H](O)c1c(C)nn(C)c1C 161340775 344189768 /nfs/dbraw/zinc/18/97/68/344189768.db2.gz WVZPRPWXNWZZOE-CPCISQLKSA-N 0 0 196.294 2.116 10 0 AEAERN Cc1ccoc1-c1nc(Cl)n[nH]1 161339240 344189788 /nfs/dbraw/zinc/18/97/88/344189788.db2.gz FDPPVIZYEXWXFP-UHFFFAOYSA-N 0 0 183.598 2.027 10 0 AEAERN O[C@H](C[C@H]1CCCCO1)C1CCC1 161349065 344189860 /nfs/dbraw/zinc/18/98/60/344189860.db2.gz AHJJKGGVQBPSLX-GHMZBOCLSA-N 0 0 184.279 2.107 10 0 AEAERN CCc1cccnc1[C@H](O)C1CCC1 161345772 344189842 /nfs/dbraw/zinc/18/98/42/344189842.db2.gz BESUBLYTERZAFE-GFCCVEGCSA-N 0 0 191.274 2.478 10 0 AEAERN O[C@H](C[C@@H]1CCCCO1)C1CCC1 161348964 344189854 /nfs/dbraw/zinc/18/98/54/344189854.db2.gz AHJJKGGVQBPSLX-WDEREUQCSA-N 0 0 184.279 2.107 10 0 AEAERN O[C@@H](C[C@H]1CCCCO1)C1CCC1 161348837 344189893 /nfs/dbraw/zinc/18/98/93/344189893.db2.gz AHJJKGGVQBPSLX-MNOVXSKESA-N 0 0 184.279 2.107 10 0 AEAERN O[C@@H](C1CCC1)[C@H]1CCCCS1 161341469 344189917 /nfs/dbraw/zinc/18/99/17/344189917.db2.gz LPLQZEHJEWPOHM-ZJUUUORDSA-N 0 0 186.320 2.433 10 0 AEAERN CC[C@@H](C)[C@@H](O)c1c(C)nn(C)c1C 161340882 344189920 /nfs/dbraw/zinc/18/99/20/344189920.db2.gz WVZPRPWXNWZZOE-RDDDGLTNSA-N 0 0 196.294 2.116 10 0 AEAERN CC[C@H](C)[C@@H](O)c1c(C)nn(C)c1C 161340980 344190000 /nfs/dbraw/zinc/19/00/00/344190000.db2.gz WVZPRPWXNWZZOE-WRWORJQWSA-N 0 0 196.294 2.116 10 0 AEAERN O[C@H](C1CCC1)[C@H]1CCCCS1 161341283 344190047 /nfs/dbraw/zinc/19/00/47/344190047.db2.gz LPLQZEHJEWPOHM-NXEZZACHSA-N 0 0 186.320 2.433 10 0 AEAERN O[C@@H](C1CCC1)[C@@H]1CCCCS1 161341391 344190057 /nfs/dbraw/zinc/19/00/57/344190057.db2.gz LPLQZEHJEWPOHM-UWVGGRQHSA-N 0 0 186.320 2.433 10 0 AEAERN Cc1ccc2c(c1)NC(=O)[C@@H](C)S2 161375694 344190222 /nfs/dbraw/zinc/19/02/22/344190222.db2.gz MJROGJGWSXKAMJ-SSDOTTSWSA-N 0 0 193.271 2.428 10 0 AEAERN C[C@@H]1Sc2cc(F)ccc2NC1=O 161374076 344190272 /nfs/dbraw/zinc/19/02/72/344190272.db2.gz OAPKIBXCFPFYKI-YFKPBYRVSA-N 0 0 197.234 2.258 10 0 AEAERN C[C@H]1Sc2cc(F)ccc2NC1=O 161373949 344190331 /nfs/dbraw/zinc/19/03/31/344190331.db2.gz OAPKIBXCFPFYKI-RXMQYKEDSA-N 0 0 197.234 2.258 10 0 AEAERN C[C@H]1Sc2cccc(F)c2NC1=O 161366749 344190356 /nfs/dbraw/zinc/19/03/56/344190356.db2.gz GTTVKNUPWGHRQT-RXMQYKEDSA-N 0 0 197.234 2.258 10 0 AEAERN Cc1ccc2c(c1)NC(=O)[C@H](C)S2 161375555 344190361 /nfs/dbraw/zinc/19/03/61/344190361.db2.gz MJROGJGWSXKAMJ-ZETCQYMHSA-N 0 0 193.271 2.428 10 0 AEAERN CC(C)OC(=O)c1cnccc1Cl 161408230 344190549 /nfs/dbraw/zinc/19/05/49/344190549.db2.gz AQBFATKDCVSNEZ-UHFFFAOYSA-N 0 0 199.637 2.300 10 0 AEAERN Cc1cc(-c2nccc(N)n2)cs1 161433604 344190938 /nfs/dbraw/zinc/19/09/38/344190938.db2.gz YXCSSBWCUISIPJ-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN [NH3+][C@H](c1ccc(F)cn1)C1CCC1 161433320 344191391 /nfs/dbraw/zinc/19/13/91/344191391.db2.gz GGWVOCYMJXHGBM-JTQLQIEISA-N 0 0 180.226 2.021 10 0 AEAERN Cc1cnc([C@H]([NH3+])C2CCC2)c(C)c1 161475514 344191770 /nfs/dbraw/zinc/19/17/70/344191770.db2.gz SQHKSIGQDQIKNI-LLVKDONJSA-N 0 0 190.290 2.498 10 0 AEAERN O=C1CC2(CCC3(CCCC3)CC2)N1 161483621 344191935 /nfs/dbraw/zinc/19/19/35/344191935.db2.gz ONRQUSOTNJUXOI-UHFFFAOYSA-N 0 0 193.290 2.380 10 0 AEAERN Cc1cnc([C@@H]([NH3+])C2CCC2)c(C)c1 161475644 344191969 /nfs/dbraw/zinc/19/19/69/344191969.db2.gz SQHKSIGQDQIKNI-NSHDSACASA-N 0 0 190.290 2.498 10 0 AEAERN CC(C)=C[C@H](O)c1cncs1 161516201 344192425 /nfs/dbraw/zinc/19/24/25/344192425.db2.gz ILOYBACNMIDLTA-ZETCQYMHSA-N 0 0 169.249 2.143 10 0 AEAERN Cc1cc(-c2noc(N)c2C)co1 161516839 344192612 /nfs/dbraw/zinc/19/26/12/344192612.db2.gz LUYJOLIJWSRVRJ-UHFFFAOYSA-N 0 0 178.191 2.134 10 0 AEAERN CC(C)=C[C@@H](O)c1cncs1 161516327 344192688 /nfs/dbraw/zinc/19/26/88/344192688.db2.gz ILOYBACNMIDLTA-SSDOTTSWSA-N 0 0 169.249 2.143 10 0 AEAERN Cc1cc(-c2n[nH]c(C(C)C)n2)co1 161528277 344192851 /nfs/dbraw/zinc/19/28/51/344192851.db2.gz QHMPEWGPNGYDCQ-UHFFFAOYSA-N 0 0 191.234 2.497 10 0 AEAERN O[C@@H](c1ccsc1)c1nccs1 161519191 344193036 /nfs/dbraw/zinc/19/30/36/344193036.db2.gz VAGJTAPVAINVIV-ZETCQYMHSA-N 0 0 197.284 2.286 10 0 AEAERN CCCc1nc(-c2coc(C)c2)n[nH]1 161528397 344193099 /nfs/dbraw/zinc/19/30/99/344193099.db2.gz CKGSKOOMUWDVEM-UHFFFAOYSA-N 0 0 191.234 2.326 10 0 AEAERN O[C@@H](c1nccs1)C1CCCC1 161536966 344193202 /nfs/dbraw/zinc/19/32/02/344193202.db2.gz VXICFNNFUPCFQP-MRVPVSSYSA-N 0 0 183.276 2.367 10 0 AEAERN O[C@H](c1ccsc1)c1nccs1 161519319 344193105 /nfs/dbraw/zinc/19/31/05/344193105.db2.gz VAGJTAPVAINVIV-SSDOTTSWSA-N 0 0 197.284 2.286 10 0 AEAERN O[C@H](c1nccs1)C1CCCC1 161537094 344193214 /nfs/dbraw/zinc/19/32/14/344193214.db2.gz VXICFNNFUPCFQP-QMMMGPOBSA-N 0 0 183.276 2.367 10 0 AEAERN CC(C)=C[C@H](O)c1nccs1 161543693 344193377 /nfs/dbraw/zinc/19/33/77/344193377.db2.gz JFABDESPXQBREH-ZETCQYMHSA-N 0 0 169.249 2.143 10 0 AEAERN CC(C)=C[C@@H](O)c1nccs1 161543807 344193626 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344194130 /nfs/dbraw/zinc/19/41/30/344194130.db2.gz XHDMRCPBKQLFDF-SSDOTTSWSA-N 0 0 140.226 2.402 10 0 AEAERN Nc1ncccc1CC1CCC1 161566494 344194179 /nfs/dbraw/zinc/19/41/79/344194179.db2.gz JHGDTXAIIAQPAL-UHFFFAOYSA-N 0 0 162.236 2.006 10 0 AEAERN C[C@H]1C(=O)CC[C@@H]1C1CCC1 161568537 344194254 /nfs/dbraw/zinc/19/42/54/344194254.db2.gz XZFMAJJRRXVYTM-APPZFPTMSA-N 0 0 152.237 2.402 10 0 AEAERN O[C@H]1C=C(C2CCC2)CCC1 161589693 344194443 /nfs/dbraw/zinc/19/44/43/344194443.db2.gz OJXHZJCSIZNRAF-SNVBAGLBSA-N 0 0 152.237 2.258 10 0 AEAERN C[C@H](O)C[C@@H](C)C1CCC1 161588537 344194536 /nfs/dbraw/zinc/19/45/36/344194536.db2.gz FTECHNZEXSIUCS-SFYZADRCSA-N 0 0 142.242 2.194 10 0 AEAERN C[C@@H](O)C[C@@H](C)C1CCC1 161588288 344194559 /nfs/dbraw/zinc/19/45/59/344194559.db2.gz FTECHNZEXSIUCS-HTQZYQBOSA-N 0 0 142.242 2.194 10 0 AEAERN C[C@H](O)C[C@H](C)C1CCC1 161588426 344194591 /nfs/dbraw/zinc/19/45/91/344194591.db2.gz FTECHNZEXSIUCS-YUMQZZPRSA-N 0 0 142.242 2.194 10 0 AEAERN O=Cc1csc(-c2nccs2)n1 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Cc1ccc(-c2ncsc2N)cn1 162351579 344206531 /nfs/dbraw/zinc/20/65/31/344206531.db2.gz UIHWYMSVSOOBHY-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1cc(N)ccc1S[C@@H](C)CO 162360862 344206807 /nfs/dbraw/zinc/20/68/07/344206807.db2.gz NPQJNKDLQKTZEM-QMMMGPOBSA-N 0 0 197.303 2.050 10 0 AEAERN Cc1ccc([C@H]2N[C@@H](C)CS2)cn1 162353615 344206988 /nfs/dbraw/zinc/20/69/88/344206988.db2.gz OKSSTWWYMVBWTM-WPRPVWTQSA-N 0 0 194.303 2.114 10 0 AEAERN Cc1ccc([C@H]2NCCCS2)cn1 162353886 344206997 /nfs/dbraw/zinc/20/69/97/344206997.db2.gz NKOWKQYAHLSJBH-JTQLQIEISA-N 0 0 194.303 2.115 10 0 AEAERN Cc1cc(N)ccc1S[C@H](C)CO 162361001 344207013 /nfs/dbraw/zinc/20/70/13/344207013.db2.gz NPQJNKDLQKTZEM-MRVPVSSYSA-N 0 0 197.303 2.050 10 0 AEAERN Cc1ccc([C@@H]2NCCCS2)cn1 162353757 344207070 /nfs/dbraw/zinc/20/70/70/344207070.db2.gz NKOWKQYAHLSJBH-SNVBAGLBSA-N 0 0 194.303 2.115 10 0 AEAERN CNc1ncc(C2CCC2)s1 162403493 344207330 /nfs/dbraw/zinc/20/73/30/344207330.db2.gz NBVMUMCFMPWRKY-UHFFFAOYSA-N 0 0 168.265 2.452 10 0 AEAERN CNc1ncc(-c2ccccn2)s1 162399316 344207353 /nfs/dbraw/zinc/20/73/53/344207353.db2.gz QZUJJXCVZUTAJF-UHFFFAOYSA-N 0 0 191.259 2.247 10 0 AEAERN Fc1cc(F)c2c(c1)SCCN2 162410168 344207394 /nfs/dbraw/zinc/20/73/94/344207394.db2.gz ZZJLTSXXWPOQPP-UHFFFAOYSA-N 0 0 187.214 2.482 10 0 AEAERN CNc1ncc([C@H]2CCCOC2)s1 162393586 344207480 /nfs/dbraw/zinc/20/74/80/344207480.db2.gz RDCWFXNAHQISBN-ZETCQYMHSA-N 0 0 198.291 2.079 10 0 AEAERN CCNc1ncc(C2CC2)s1 162408410 344207585 /nfs/dbraw/zinc/20/75/85/344207585.db2.gz BMOBLRXNCCVPTB-UHFFFAOYSA-N 0 0 168.265 2.452 10 0 AEAERN COc1cc2c(cc1F)NCCS2 162409831 344207488 /nfs/dbraw/zinc/20/74/88/344207488.db2.gz DEBVIUJTTKLIBM-UHFFFAOYSA-N 0 0 199.250 2.352 10 0 AEAERN CNc1ncc(C2CCOCC2)s1 162404801 344207593 /nfs/dbraw/zinc/20/75/93/344207593.db2.gz MHTBEMPJZFDFGB-UHFFFAOYSA-N 0 0 198.291 2.079 10 0 AEAERN CNc1ncc(-c2ccncc2)s1 162399617 344207615 /nfs/dbraw/zinc/20/76/15/344207615.db2.gz RTNUYMZIZYYZRC-UHFFFAOYSA-N 0 0 191.259 2.247 10 0 AEAERN CNc1ncc([C@@H]2CCCOC2)s1 162393445 344207670 /nfs/dbraw/zinc/20/76/70/344207670.db2.gz RDCWFXNAHQISBN-SSDOTTSWSA-N 0 0 198.291 2.079 10 0 AEAERN Cc1ccc2c(n1)SCCCN2 162413519 344207927 /nfs/dbraw/zinc/20/79/27/344207927.db2.gz PVKADOOQWYHZGE-UHFFFAOYSA-N 0 0 180.276 2.298 10 0 AEAERN Cc1cnc2c(c1)NCCCS2 162416111 344207954 /nfs/dbraw/zinc/20/79/54/344207954.db2.gz LMCHCMHIQARQLD-UHFFFAOYSA-N 0 0 180.276 2.298 10 0 AEAERN Cc1ccc2c(n1)S[C@H](C)CN2 162425233 344207965 /nfs/dbraw/zinc/20/79/65/344207965.db2.gz AJPYGYWFAWTTBJ-SSDOTTSWSA-N 0 0 180.276 2.296 10 0 AEAERN Cc1ccnc2c1NCCCS2 162414200 344207975 /nfs/dbraw/zinc/20/79/75/344207975.db2.gz RZJNZEQHAKCYRG-UHFFFAOYSA-N 0 0 180.276 2.298 10 0 AEAERN Cc1ccc2c(n1)S[C@@H](C)CN2 162425309 344208047 /nfs/dbraw/zinc/20/80/47/344208047.db2.gz AJPYGYWFAWTTBJ-ZETCQYMHSA-N 0 0 180.276 2.296 10 0 AEAERN CCn1nc(C)c2c1SCCCN2 162414357 344208054 /nfs/dbraw/zinc/20/80/54/344208054.db2.gz RJLPZJREWKPIIX-UHFFFAOYSA-N 0 0 197.307 2.119 10 0 AEAERN CCn1nc(C)c2c1S[C@@H](C)CN2 162427523 344208110 /nfs/dbraw/zinc/20/81/10/344208110.db2.gz LFAGGSRWHIBLMO-LURJTMIESA-N 0 0 197.307 2.118 10 0 AEAERN Cc1ccncc1-c1noc(Cl)n1 162434809 344208490 /nfs/dbraw/zinc/20/84/90/344208490.db2.gz KWFWZPWWAKGAML-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN C[C@@H](CC1CCC1)Nc1cnn(C)c1 162458542 344209029 /nfs/dbraw/zinc/20/90/29/344209029.db2.gz FBILZMUGOBPPOL-VIFPVBQESA-N 0 0 193.294 2.411 10 0 AEAERN C[C@H](CC1CCC1)Nc1cnn(C)c1 162458656 344209032 /nfs/dbraw/zinc/20/90/32/344209032.db2.gz FBILZMUGOBPPOL-SECBINFHSA-N 0 0 193.294 2.411 10 0 AEAERN CCC(=O)[C@]1(C)CCCS1 162523540 344209439 /nfs/dbraw/zinc/20/94/39/344209439.db2.gz YVOMMJVIGZVBAU-QMMMGPOBSA-N 0 0 158.266 2.251 10 0 AEAERN Cc1cncc(C(=O)[C@H]2C[C@@H]2C)c1 162558593 344209886 /nfs/dbraw/zinc/20/98/86/344209886.db2.gz ZFLCZFFPMHDDJS-WPRPVWTQSA-N 0 0 175.231 2.229 10 0 AEAERN Cc1cncc(C(=O)[C@@H]2C[C@@H]2C)c1 162558496 344209892 /nfs/dbraw/zinc/20/98/92/344209892.db2.gz ZFLCZFFPMHDDJS-WCBMZHEXSA-N 0 0 175.231 2.229 10 0 AEAERN Cc1cncc(C(=O)[C@@H]2C[C@H]2C)c1 162558697 344209901 /nfs/dbraw/zinc/20/99/01/344209901.db2.gz ZFLCZFFPMHDDJS-PSASIEDQSA-N 0 0 175.231 2.229 10 0 AEAERN Cc1cncc(C(=O)[C@H]2C[C@H]2C)c1 162558788 344209927 /nfs/dbraw/zinc/20/99/27/344209927.db2.gz ZFLCZFFPMHDDJS-SCZZXKLOSA-N 0 0 175.231 2.229 10 0 AEAERN Cc1cncc(C(=O)CC2CC2)c1 162558928 344209969 /nfs/dbraw/zinc/20/99/69/344209969.db2.gz BXERUSMBIKFGNX-UHFFFAOYSA-N 0 0 175.231 2.373 10 0 AEAERN C[C@]1(C(=O)C(F)F)CCCS1 162602432 344210755 /nfs/dbraw/zinc/21/07/55/344210755.db2.gz VBWPTYRWOWGFCU-SSDOTTSWSA-N 0 0 180.219 2.106 10 0 AEAERN CC(C)C(=O)[C@@]1(C)CCCS1 162600271 344210769 /nfs/dbraw/zinc/21/07/69/344210769.db2.gz XQPOTDOLUAMVJD-SECBINFHSA-N 0 0 172.293 2.497 10 0 AEAERN CC(C)C(=O)[C@]1(C)CCCS1 162600178 344210778 /nfs/dbraw/zinc/21/07/78/344210778.db2.gz XQPOTDOLUAMVJD-VIFPVBQESA-N 0 0 172.293 2.497 10 0 AEAERN C[C@@]1(C(=O)C2CC2)CCCS1 162600777 344210789 /nfs/dbraw/zinc/21/07/89/344210789.db2.gz GSODHEMXRFSRRO-VIFPVBQESA-N 0 0 170.277 2.251 10 0 AEAERN C[C@@]1(C(=O)C(F)(F)F)CCCS1 162599602 344210830 /nfs/dbraw/zinc/21/08/30/344210830.db2.gz NWAZXGHKBNCIOX-LURJTMIESA-N 0 0 198.209 2.404 10 0 AEAERN C[C@]1(C(=O)C(F)(F)F)CCCS1 162599504 344210878 /nfs/dbraw/zinc/21/08/78/344210878.db2.gz NWAZXGHKBNCIOX-ZCFIWIBFSA-N 0 0 198.209 2.404 10 0 AEAERN C[C@@H]1C[C@@H]1C(=O)[C@]1(C)CCCS1 162601926 344210919 /nfs/dbraw/zinc/21/09/19/344210919.db2.gz XEEFJKOBRDMWJV-WEDXCCLWSA-N 0 0 184.304 2.497 10 0 AEAERN C[C@@]1(C(=O)C(F)F)CCCS1 162602561 344210946 /nfs/dbraw/zinc/21/09/46/344210946.db2.gz VBWPTYRWOWGFCU-ZETCQYMHSA-N 0 0 180.219 2.106 10 0 AEAERN C[C@@H]1Cc2c(F)cccc2[C@@H](O)C1 162649454 344211667 /nfs/dbraw/zinc/21/16/67/344211667.db2.gz QIJIDHWYMLFXDT-HQJQHLMTSA-N 0 0 180.222 2.441 10 0 AEAERN C[C@@H]1Cc2c(F)cccc2[C@H](O)C1 162649206 344211668 /nfs/dbraw/zinc/21/16/68/344211668.db2.gz QIJIDHWYMLFXDT-RDDDGLTNSA-N 0 0 180.222 2.441 10 0 AEAERN C[C@H]1Cc2c(F)cccc2[C@@H](O)C1 162649568 344211672 /nfs/dbraw/zinc/21/16/72/344211672.db2.gz QIJIDHWYMLFXDT-CPCISQLKSA-N 0 0 180.222 2.441 10 0 AEAERN CCC(=O)c1ncc(C)cc1C 162654622 344211729 /nfs/dbraw/zinc/21/17/29/344211729.db2.gz PCLHZJCZHGZUOO-UHFFFAOYSA-N 0 0 163.220 2.291 10 0 AEAERN C[C@@H]1Cc2ccc(F)cc2[C@@H](O)C1 162648944 344211734 /nfs/dbraw/zinc/21/17/34/344211734.db2.gz SFBUJPHFYWBGFQ-HQJQHLMTSA-N 0 0 180.222 2.441 10 0 AEAERN C[C@@H]1Cc2ccc(F)cc2[C@H](O)C1 162648700 344211753 /nfs/dbraw/zinc/21/17/53/344211753.db2.gz SFBUJPHFYWBGFQ-RDDDGLTNSA-N 0 0 180.222 2.441 10 0 AEAERN CC(C)=CCS[C@@H](C)CO 162649506 344211789 /nfs/dbraw/zinc/21/17/89/344211789.db2.gz IEVUVENYKTUYRA-QMMMGPOBSA-N 0 0 160.282 2.067 10 0 AEAERN C[C@H]1Cc2c(F)cccc2[C@H](O)C1 162649324 344211830 /nfs/dbraw/zinc/21/18/30/344211830.db2.gz QIJIDHWYMLFXDT-WRWORJQWSA-N 0 0 180.222 2.441 10 0 AEAERN C[C@H]1Cc2ccc(F)cc2[C@H](O)C1 162648830 344211831 /nfs/dbraw/zinc/21/18/31/344211831.db2.gz SFBUJPHFYWBGFQ-WRWORJQWSA-N 0 0 180.222 2.441 10 0 AEAERN CC(C)=CCS[C@H](C)CO 162649619 344211836 /nfs/dbraw/zinc/21/18/36/344211836.db2.gz IEVUVENYKTUYRA-MRVPVSSYSA-N 0 0 160.282 2.067 10 0 AEAERN CCOC(=N)c1cc(C)cc(F)c1 162703208 344212304 /nfs/dbraw/zinc/21/23/04/344212304.db2.gz ZRBCEVKUCKNJQE-UHFFFAOYSA-N 0 0 181.210 2.496 10 0 AEAERN COCn1ccc2c(F)cccc21 162682510 344212309 /nfs/dbraw/zinc/21/23/09/344212309.db2.gz VBTHCUCGPMVCLO-UHFFFAOYSA-N 0 0 179.194 2.384 10 0 AEAERN CC[C@H]1CNc2cccnc2S1 162711695 344212520 /nfs/dbraw/zinc/21/25/20/344212520.db2.gz FGKBTXOPSZXEOT-ZETCQYMHSA-N 0 0 180.276 2.378 10 0 AEAERN CC[C@H]1CNc2cnccc2S1 162716430 344212533 /nfs/dbraw/zinc/21/25/33/344212533.db2.gz LMXAOODYGXBQDM-ZETCQYMHSA-N 0 0 180.276 2.378 10 0 AEAERN CC(C)c1c[nH]c(=O)n1C(C)(C)C 162727394 344212547 /nfs/dbraw/zinc/21/25/47/344212547.db2.gz RXLFHNSJHCLYRW-UHFFFAOYSA-N 0 0 182.267 2.055 10 0 AEAERN CC[C@H]1CNc2c(C)nn(C)c2S1 162713024 344212669 /nfs/dbraw/zinc/21/26/69/344212669.db2.gz VRVDLNHVLYUOHV-ZETCQYMHSA-N 0 0 197.307 2.025 10 0 AEAERN CC1(C)CNc2cnccc2S1 162732233 344212724 /nfs/dbraw/zinc/21/27/24/344212724.db2.gz XGJNRWAXGFIKJO-UHFFFAOYSA-N 0 0 180.276 2.378 10 0 AEAERN C[C@@H]1CNc2cnccc2SC1 162741719 344212929 /nfs/dbraw/zinc/21/29/29/344212929.db2.gz ZWCGGIDXFWVNAT-SSDOTTSWSA-N 0 0 180.276 2.235 10 0 AEAERN Cc1nn(C)c2c1NCC[C@@H](C)S2 162748665 344213011 /nfs/dbraw/zinc/21/30/11/344213011.db2.gz ONHPTFLIIGGFPY-ZCFIWIBFSA-N 0 0 197.307 2.025 10 0 AEAERN CC(C)(C)c1c[nH]c(=O)n1C(C)(C)C 162737436 344213094 /nfs/dbraw/zinc/21/30/94/344213094.db2.gz FXOKSEQUPILAAU-UHFFFAOYSA-N 0 0 196.294 2.229 10 0 AEAERN C[C@H]1CNc2cnccc2SC1 162741802 344213173 /nfs/dbraw/zinc/21/31/73/344213173.db2.gz ZWCGGIDXFWVNAT-ZETCQYMHSA-N 0 0 180.276 2.235 10 0 AEAERN Cc1nn(C)c2c1NCC[C@H](C)S2 162748780 344213250 /nfs/dbraw/zinc/21/32/50/344213250.db2.gz ONHPTFLIIGGFPY-LURJTMIESA-N 0 0 197.307 2.025 10 0 AEAERN C[C@@H]1CCNc2cnccc2S1 162751909 344213397 /nfs/dbraw/zinc/21/33/97/344213397.db2.gz KUCSEFQCLXVXLC-SSDOTTSWSA-N 0 0 180.276 2.378 10 0 AEAERN COc1cc(NCCF)ccc1F 162771091 344213575 /nfs/dbraw/zinc/21/35/75/344213575.db2.gz PPMSMYIRTKCCFW-UHFFFAOYSA-N 0 0 187.189 2.216 10 0 AEAERN O=C1CSC[C@H]1CCC(F)(F)F 162758025 344213579 /nfs/dbraw/zinc/21/35/79/344213579.db2.gz RJSGQIUSMFIUEG-RXMQYKEDSA-N 0 0 198.209 2.261 10 0 AEAERN C[C@H]1CCNc2cnccc2S1 162752046 344213610 /nfs/dbraw/zinc/21/36/10/344213610.db2.gz KUCSEFQCLXVXLC-ZETCQYMHSA-N 0 0 180.276 2.378 10 0 AEAERN O=C1CSC[C@@H]1CCC(F)(F)F 162757897 344213636 /nfs/dbraw/zinc/21/36/36/344213636.db2.gz RJSGQIUSMFIUEG-YFKPBYRVSA-N 0 0 198.209 2.261 10 0 AEAERN CC(=O)[C@@H]1CCc2ccccc2N1C 162780618 344213692 /nfs/dbraw/zinc/21/36/92/344213692.db2.gz DENNSHFHNFTLAH-NSHDSACASA-N 0 0 189.258 2.027 10 0 AEAERN C[C@H]([N@@H+]1CCC(=O)[C@H](C)C1)C(C)(C)C 162811551 344214112 /nfs/dbraw/zinc/21/41/12/344214112.db2.gz BXVAYTCCMAQDAX-ZJUUUORDSA-N 0 0 197.322 2.332 10 0 AEAERN C[C@H]1C[N@H+]([C@@H](C)C(C)(C)C)CCC1=O 162811665 344214106 /nfs/dbraw/zinc/21/41/06/344214106.db2.gz BXVAYTCCMAQDAX-UWVGGRQHSA-N 0 0 197.322 2.332 10 0 AEAERN C[C@H](Nc1ncns1)C(C)(C)C 162844755 344214491 /nfs/dbraw/zinc/21/44/91/344214491.db2.gz NBZAGVQUSHSOHL-LURJTMIESA-N 0 0 185.296 2.385 10 0 AEAERN Cc1nc([C@H](N)c2ccoc2)cs1 162836397 344214553 /nfs/dbraw/zinc/21/45/53/344214553.db2.gz PAVOLNUKYIWMDC-SECBINFHSA-N 0 0 194.259 2.093 10 0 AEAERN C[C@H](Nc1ccncn1)C(C)(C)C 162837922 344214573 /nfs/dbraw/zinc/21/45/73/344214573.db2.gz UHLFTBXXQDVXPK-QMMMGPOBSA-N 0 0 179.267 2.323 10 0 AEAERN C[C@@H](Nc1ccncn1)C(C)(C)C 162838030 344214603 /nfs/dbraw/zinc/21/46/03/344214603.db2.gz UHLFTBXXQDVXPK-MRVPVSSYSA-N 0 0 179.267 2.323 10 0 AEAERN C[C@@H](Nc1ncns1)C(C)(C)C 162844862 344214655 /nfs/dbraw/zinc/21/46/55/344214655.db2.gz NBZAGVQUSHSOHL-ZCFIWIBFSA-N 0 0 185.296 2.385 10 0 AEAERN Cc1nc([C@@H](N)c2ccoc2)cs1 162836511 344214668 /nfs/dbraw/zinc/21/46/68/344214668.db2.gz PAVOLNUKYIWMDC-VIFPVBQESA-N 0 0 194.259 2.093 10 0 AEAERN C[C@H](N1CN=NC1=S)C(C)(C)C 162857202 344215008 /nfs/dbraw/zinc/21/50/08/344215008.db2.gz FMDAPLLQPGPDFZ-LURJTMIESA-N 0 0 185.296 2.174 10 0 AEAERN CC1N=NC(=S)N1[C@H](C)C(C)(C)C 162857874 344215069 /nfs/dbraw/zinc/21/50/69/344215069.db2.gz BHQFISRZDPQPPX-ZCFIWIBFSA-N 0 0 199.323 2.482 10 0 AEAERN Cc1ncsc1[C@H](N)c1ccco1 162856720 344215163 /nfs/dbraw/zinc/21/51/63/344215163.db2.gz BLVJGVOYHMQEAH-MRVPVSSYSA-N 0 0 194.259 2.093 10 0 AEAERN CCOC1CC(Nc2cccnc2)C1 162856659 344215217 /nfs/dbraw/zinc/21/52/17/344215217.db2.gz JVBAWWUUYOWGOS-UHFFFAOYSA-N 0 0 192.262 2.061 10 0 AEAERN C[C@H](Nc1cnccn1)C(C)(C)C 162849882 344215240 /nfs/dbraw/zinc/21/52/40/344215240.db2.gz GQWGPTDWRUNAQK-QMMMGPOBSA-N 0 0 179.267 2.323 10 0 AEAERN C[C@@H](N1CN=NC1=S)C(C)(C)C 162857324 344215265 /nfs/dbraw/zinc/21/52/65/344215265.db2.gz FMDAPLLQPGPDFZ-ZCFIWIBFSA-N 0 0 185.296 2.174 10 0 AEAERN CC1N=NC(=S)N1[C@@H](C)C(C)(C)C 162857748 344215276 /nfs/dbraw/zinc/21/52/76/344215276.db2.gz BHQFISRZDPQPPX-LURJTMIESA-N 0 0 199.323 2.482 10 0 AEAERN C[C@@H](Nc1nncs1)C(C)(C)C 162848709 344215279 /nfs/dbraw/zinc/21/52/79/344215279.db2.gz GQIHXAWPCUGTCG-ZCFIWIBFSA-N 0 0 185.296 2.385 10 0 AEAERN C[C@@H](Nc1cnccn1)C(C)(C)C 162849981 344215302 /nfs/dbraw/zinc/21/53/02/344215302.db2.gz GQWGPTDWRUNAQK-MRVPVSSYSA-N 0 0 179.267 2.323 10 0 AEAERN C[NH2+][C@@H](c1ccco1)[C@@H]1CCSC1 162870370 344215517 /nfs/dbraw/zinc/21/55/17/344215517.db2.gz HYEPMQFDGOSQMT-PSASIEDQSA-N 0 0 197.303 2.293 10 0 AEAERN C[NH2+][C@@H](c1ccco1)[C@H]1CCSC1 162870595 344215725 /nfs/dbraw/zinc/21/57/25/344215725.db2.gz HYEPMQFDGOSQMT-WCBMZHEXSA-N 0 0 197.303 2.293 10 0 AEAERN C[NH2+][C@H](c1ccco1)[C@@H]1CCSC1 162870491 344215879 /nfs/dbraw/zinc/21/58/79/344215879.db2.gz HYEPMQFDGOSQMT-SCZZXKLOSA-N 0 0 197.303 2.293 10 0 AEAERN C[NH2+][C@H](c1ccco1)[C@H]1CCSC1 162870685 344215932 /nfs/dbraw/zinc/21/59/32/344215932.db2.gz HYEPMQFDGOSQMT-WPRPVWTQSA-N 0 0 197.303 2.293 10 0 AEAERN COc1cc([C@@H](C)O)ccc1C 162973436 344217058 /nfs/dbraw/zinc/21/70/58/344217058.db2.gz UJKPFGGDXVIDLG-MRVPVSSYSA-N 0 0 166.220 2.057 10 0 AEAERN COc1cc([C@H](C)O)ccc1C 162973547 344217249 /nfs/dbraw/zinc/21/72/49/344217249.db2.gz UJKPFGGDXVIDLG-QMMMGPOBSA-N 0 0 166.220 2.057 10 0 AEAERN CONCc1ccc(Cl)cc1F 162971411 344217265 /nfs/dbraw/zinc/21/72/65/344217265.db2.gz BIXBLECMIKWAOE-UHFFFAOYSA-N 0 0 189.617 2.130 10 0 AEAERN Fc1ccc(NCc2ccoc2)nc1 162987579 344217624 /nfs/dbraw/zinc/21/76/24/344217624.db2.gz AICFEQGXWSHLHU-UHFFFAOYSA-N 0 0 192.193 2.426 10 0 AEAERN CC(C)c1nncn1C(C)(C)C 162989661 344217739 /nfs/dbraw/zinc/21/77/39/344217739.db2.gz AMENTVNPYARQIQ-UHFFFAOYSA-N 0 0 167.256 2.157 10 0 AEAERN Cc1ccc(N)c(NC(=O)C(C)C)c1 162986538 344217758 /nfs/dbraw/zinc/21/77/58/344217758.db2.gz OIPFAWDBWDOILG-UHFFFAOYSA-N 0 0 192.262 2.172 10 0 AEAERN c1ccc(COc2cccnc2)nc1 163010564 344217793 /nfs/dbraw/zinc/21/77/93/344217793.db2.gz KDGPRULBASNXAB-UHFFFAOYSA-N 0 0 186.214 2.056 10 0 AEAERN c1cncc(OCc2cscn2)c1 163009081 344217804 /nfs/dbraw/zinc/21/78/04/344217804.db2.gz UBABOJHKKLOUEF-UHFFFAOYSA-N 0 0 192.243 2.117 10 0 AEAERN c1cncc(OCc2nccs2)c1 163011685 344217810 /nfs/dbraw/zinc/21/78/10/344217810.db2.gz HACXXYWWJUURTM-UHFFFAOYSA-N 0 0 192.243 2.117 10 0 AEAERN c1cncc(OC[C@@H]2CCCCO2)c1 163014789 344218191 /nfs/dbraw/zinc/21/81/91/344218191.db2.gz CYVDKQGORBBLHC-NSHDSACASA-N 0 0 193.246 2.030 10 0 AEAERN c1cncc(OC[C@H]2CCCCO2)c1 163014866 344218207 /nfs/dbraw/zinc/21/82/07/344218207.db2.gz CYVDKQGORBBLHC-LLVKDONJSA-N 0 0 193.246 2.030 10 0 AEAERN CCN(C)c1cccc(Cl)c1N 163044340 344218635 /nfs/dbraw/zinc/21/86/35/344218635.db2.gz RIQJQWAJIHJHPK-UHFFFAOYSA-N 0 0 184.670 2.378 10 0 AEAERN CC(C)N1CC[C@@H](O)c2ccccc21 163079533 344219152 /nfs/dbraw/zinc/21/91/52/344219152.db2.gz SMDJMZZKDKMSER-GFCCVEGCSA-N 0 0 191.274 2.339 10 0 AEAERN CC(C)Oc1cnn(C(C)C)c1 163084144 344219296 /nfs/dbraw/zinc/21/92/96/344219296.db2.gz ONSBPRZWQGPRKS-UHFFFAOYSA-N 0 0 168.240 2.251 10 0 AEAERN CC(C)N1CC[C@H](O)c2ccccc21 163079419 344219313 /nfs/dbraw/zinc/21/93/13/344219313.db2.gz SMDJMZZKDKMSER-LBPRGKRZSA-N 0 0 191.274 2.339 10 0 AEAERN Nc1c(Cl)cccc1N1CCCO1 163111036 344219349 /nfs/dbraw/zinc/21/93/49/344219349.db2.gz RZVGRHVJSYNXKK-UHFFFAOYSA-N 0 0 198.653 2.064 10 0 AEAERN Nc1c(Cl)cccc1-n1ccnc1 163113620 344219414 /nfs/dbraw/zinc/21/94/14/344219414.db2.gz KFYDNTJTSRTBAB-UHFFFAOYSA-N 0 0 193.637 2.108 10 0 AEAERN C[C@@H]1Nc2cccc(Cl)c2NC1=O 163174432 344219515 /nfs/dbraw/zinc/21/95/15/344219515.db2.gz HZALNKXWHINNBH-YFKPBYRVSA-N 0 0 196.637 2.093 10 0 AEAERN C[C@@H]1C[C@H]1C(=O)Cc1ccco1 163154032 344219586 /nfs/dbraw/zinc/21/95/86/344219586.db2.gz LTYHJZOAOHXDAG-VXNVDRBHSA-N 0 0 164.204 2.047 10 0 AEAERN C[C@H]1C[C@@H]1C(=O)Cc1ccco1 163153912 344219647 /nfs/dbraw/zinc/21/96/47/344219647.db2.gz LTYHJZOAOHXDAG-CBAPKCEASA-N 0 0 164.204 2.047 10 0 AEAERN O[C@@H](Cc1ccco1)C1CCCC1 163150107 344219837 /nfs/dbraw/zinc/21/98/37/344219837.db2.gz WRYPGXGUPJVTSP-NSHDSACASA-N 0 0 180.247 2.373 10 0 AEAERN C[NH2+]Cc1cc(Cl)ccc1N(C)C 163145447 344219766 /nfs/dbraw/zinc/21/97/66/344219766.db2.gz LKYKTUSEPPDOGL-UHFFFAOYSA-N 0 0 198.697 2.125 10 0 AEAERN O[C@H](Cc1ccco1)C1CCCC1 163150213 344219896 /nfs/dbraw/zinc/21/98/96/344219896.db2.gz WRYPGXGUPJVTSP-LLVKDONJSA-N 0 0 180.247 2.373 10 0 AEAERN CNc1ncnc2c(C)csc12 163213169 344220285 /nfs/dbraw/zinc/22/02/85/344220285.db2.gz HDBRNVFDDKQZMI-UHFFFAOYSA-N 0 0 179.248 2.041 10 0 AEAERN C[C@@H](CN1CCCNC1=O)C(C)(C)C 163192255 344220418 /nfs/dbraw/zinc/22/04/18/344220418.db2.gz WFAFCRJUYUVMMF-VIFPVBQESA-N 0 0 198.310 2.084 10 0 AEAERN C[C@H](CN1CCCNC1=O)C(C)(C)C 163192372 344220437 /nfs/dbraw/zinc/22/04/37/344220437.db2.gz WFAFCRJUYUVMMF-SECBINFHSA-N 0 0 198.310 2.084 10 0 AEAERN COC[C@@H]([NH3+])c1cccc(C)c1Cl 163290169 344221445 /nfs/dbraw/zinc/22/14/45/344221445.db2.gz TYAFBRDAUVBRCX-SECBINFHSA-N 0 0 199.681 2.295 10 0 AEAERN COC[C@H]([NH3+])c1cccc(C)c1Cl 163290271 344221680 /nfs/dbraw/zinc/22/16/80/344221680.db2.gz TYAFBRDAUVBRCX-VIFPVBQESA-N 0 0 199.681 2.295 10 0 AEAERN C[C@H](C(=O)c1ccc[nH]1)C1CC1 163397107 344222882 /nfs/dbraw/zinc/22/28/82/344222882.db2.gz SYTHQICOVLWUOW-ZETCQYMHSA-N 0 0 163.220 2.244 10 0 AEAERN C[C@@H](C(=O)c1ccc[nH]1)C1CC1 163397216 344223227 /nfs/dbraw/zinc/22/32/27/344223227.db2.gz SYTHQICOVLWUOW-SSDOTTSWSA-N 0 0 163.220 2.244 10 0 AEAERN O[C@@H](Cc1cncs1)C1CCCC1 163447104 344223646 /nfs/dbraw/zinc/22/36/46/344223646.db2.gz KTWNZXUXVQGYGX-JTQLQIEISA-N 0 0 197.303 2.237 10 0 AEAERN Cc1cc(F)ccc1CC1(CO)CC1 163434440 344223708 /nfs/dbraw/zinc/22/37/08/344223708.db2.gz MYDRWNQOBZRQFB-UHFFFAOYSA-N 0 0 194.249 2.449 10 0 AEAERN O=C(Cc1cncs1)C1CCCC1 163447951 344223723 /nfs/dbraw/zinc/22/37/23/344223723.db2.gz OFBJQLFRMWKWLT-UHFFFAOYSA-N 0 0 195.287 2.445 10 0 AEAERN O[C@H](Cc1cncs1)C1CCCC1 163447223 344223734 /nfs/dbraw/zinc/22/37/34/344223734.db2.gz KTWNZXUXVQGYGX-SNVBAGLBSA-N 0 0 197.303 2.237 10 0 AEAERN C[C@H]1C[C@@H]1CNc1ncncc1Cl 163645790 344226202 /nfs/dbraw/zinc/22/62/02/344226202.db2.gz REYDMMZKPGTRQF-NKWVEPMBSA-N 0 0 197.669 2.198 10 0 AEAERN C[C@H]1C[C@H]1CNc1ncncc1Cl 163646019 344226384 /nfs/dbraw/zinc/22/63/84/344226384.db2.gz REYDMMZKPGTRQF-BQBZGAKWSA-N 0 0 197.669 2.198 10 0 AEAERN C[C@@H]1C[C@H]1CNc1ncncc1Cl 163645898 344226391 /nfs/dbraw/zinc/22/63/91/344226391.db2.gz REYDMMZKPGTRQF-RQJHMYQMSA-N 0 0 197.669 2.198 10 0 AEAERN C[C@@H]1C[C@@H]1CNc1ncncc1Cl 163645705 344226430 /nfs/dbraw/zinc/22/64/30/344226430.db2.gz REYDMMZKPGTRQF-RNFRBKRXSA-N 0 0 197.669 2.198 10 0 AEAERN CCc1c([C@H](C)C2CC2)noc1N 163680526 344226639 /nfs/dbraw/zinc/22/66/39/344226639.db2.gz MREIZQJQEQBJMO-ZCFIWIBFSA-N 0 0 180.251 2.333 10 0 AEAERN Cc1c([C@@H](C)C2CC2)noc1N 163679673 344226660 /nfs/dbraw/zinc/22/66/60/344226660.db2.gz DEEXDGXCIBIBEI-YFKPBYRVSA-N 0 0 166.224 2.079 10 0 AEAERN Cc1c([C@H](C)C2CC2)noc1N 163679798 344226771 /nfs/dbraw/zinc/22/67/71/344226771.db2.gz DEEXDGXCIBIBEI-RXMQYKEDSA-N 0 0 166.224 2.079 10 0 AEAERN CCc1c([C@@H](C)C2CC2)noc1N 163680418 344226775 /nfs/dbraw/zinc/22/67/75/344226775.db2.gz MREIZQJQEQBJMO-LURJTMIESA-N 0 0 180.251 2.333 10 0 AEAERN CCCOc1cccc2c1CCN2 163696765 344226786 /nfs/dbraw/zinc/22/67/86/344226786.db2.gz PGWYCMJYIMLVCU-UHFFFAOYSA-N 0 0 177.247 2.443 10 0 AEAERN C[C@@H]1C[C@H]1C(=O)c1ccncc1F 163707722 344227192 /nfs/dbraw/zinc/22/71/92/344227192.db2.gz QKTKZDDCYCKCFT-HTRCEHHLSA-N 0 0 179.194 2.059 10 0 AEAERN Cc1ccc(C)c(C(=O)C(C)(C)O)c1 163711508 344227253 /nfs/dbraw/zinc/22/72/53/344227253.db2.gz XDCZTMDINLFRCF-UHFFFAOYSA-N 0 0 192.258 2.257 10 0 AEAERN CC(C)c1n[nH]c([C@@H](C)C2CC2)n1 163709195 344227263 /nfs/dbraw/zinc/22/72/63/344227263.db2.gz ZYALYWRDOUOMMN-ZETCQYMHSA-N 0 0 179.267 2.442 10 0 AEAERN C[C@H]1C[C@H]1C(=O)c1ccncc1F 163707872 344227277 /nfs/dbraw/zinc/22/72/77/344227277.db2.gz QKTKZDDCYCKCFT-POYBYMJQSA-N 0 0 179.194 2.059 10 0 AEAERN CC(C)c1n[nH]c([C@H](C)C2CC2)n1 163709299 344227398 /nfs/dbraw/zinc/22/73/98/344227398.db2.gz ZYALYWRDOUOMMN-SSDOTTSWSA-N 0 0 179.267 2.442 10 0 AEAERN C[C@@H]1C[C@@H]1C(=O)c1ccncc1F 163707455 344227467 /nfs/dbraw/zinc/22/74/67/344227467.db2.gz QKTKZDDCYCKCFT-SVRRBLITSA-N 0 0 179.194 2.059 10 0 AEAERN O=Cc1csc2c1CCC2 163700244 344227485 /nfs/dbraw/zinc/22/74/85/344227485.db2.gz FTYWCYKZBZUYGH-UHFFFAOYSA-N 0 0 152.218 2.049 10 0 AEAERN C[C@H]1C[C@@H]1C(=O)c1ccncc1F 163707603 344227601 /nfs/dbraw/zinc/22/76/01/344227601.db2.gz QKTKZDDCYCKCFT-XPUUQOCRSA-N 0 0 179.194 2.059 10 0 AEAERN C[C@@H](c1nc2cccnc2[nH]1)C1CC1 163718143 344227655 /nfs/dbraw/zinc/22/76/55/344227655.db2.gz ZXIMSIUJMMUBNT-SSDOTTSWSA-N 0 0 187.246 2.471 10 0 AEAERN C[C@H](c1nc2cccnc2[nH]1)C1CC1 163718271 344227838 /nfs/dbraw/zinc/22/78/38/344227838.db2.gz ZXIMSIUJMMUBNT-ZETCQYMHSA-N 0 0 187.246 2.471 10 0 AEAERN Cc1occc1C(=O)c1ccoc1 163726417 344228083 /nfs/dbraw/zinc/22/80/83/344228083.db2.gz JFLDYOWPBKJXJQ-UHFFFAOYSA-N 0 0 176.171 2.412 10 0 AEAERN CC[C@@H](C)c1cnc(N)s1 163733676 344228356 /nfs/dbraw/zinc/22/83/56/344228356.db2.gz KQXGWVBGOWSGPH-RXMQYKEDSA-N 0 0 156.254 2.239 10 0 AEAERN Cc1occc1C(=O)C(C)C 163732132 344228564 /nfs/dbraw/zinc/22/85/64/344228564.db2.gz FRAYJKZGRLFYOE-UHFFFAOYSA-N 0 0 152.193 2.427 10 0 AEAERN CC[C@H](C)c1cnc(N)s1 163733787 344228688 /nfs/dbraw/zinc/22/86/88/344228688.db2.gz KQXGWVBGOWSGPH-YFKPBYRVSA-N 0 0 156.254 2.239 10 0 AEAERN Cc1occc1[C@@H](O)c1ccco1 163749134 344228906 /nfs/dbraw/zinc/22/89/06/344228906.db2.gz UDNDLOGZMKRNTG-SNVBAGLBSA-N 0 0 178.187 2.263 10 0 AEAERN Cc1occc1[C@H](O)c1ccco1 163749008 344229075 /nfs/dbraw/zinc/22/90/75/344229075.db2.gz UDNDLOGZMKRNTG-JTQLQIEISA-N 0 0 178.187 2.263 10 0 AEAERN Cc1occc1[C@H](O)CC1CC1 163766535 344229762 /nfs/dbraw/zinc/22/97/62/344229762.db2.gz QFPZMRSNGUMIFR-SNVBAGLBSA-N 0 0 166.220 2.422 10 0 AEAERN Cc1occc1[C@@H](O)CC1CC1 163766624 344229805 /nfs/dbraw/zinc/22/98/05/344229805.db2.gz QFPZMRSNGUMIFR-JTQLQIEISA-N 0 0 166.220 2.422 10 0 AEAERN O=C1C[C@@H](c2cc(Cl)ccc2F)N1 163787383 344230217 /nfs/dbraw/zinc/23/02/17/344230217.db2.gz RGRFHISTIYMTGX-QMMMGPOBSA-N 0 0 199.612 2.040 10 0 AEAERN O=C1C[C@@H](c2ccc(Cl)cc2F)N1 163787589 344230326 /nfs/dbraw/zinc/23/03/26/344230326.db2.gz PCHJPTIFVMDLNY-QMMMGPOBSA-N 0 0 199.612 2.040 10 0 AEAERN OC/C=C/c1cc(Cl)ccc1F 163815058 344230571 /nfs/dbraw/zinc/23/05/71/344230571.db2.gz COQAKXNRVLYXSR-OWOJBTEDSA-N 0 0 186.613 2.485 10 0 AEAERN CO[C@@H](C)c1nnc(C2CCCC2)[nH]1 163851409 344231010 /nfs/dbraw/zinc/23/10/10/344231010.db2.gz PRFYIDDRPJEVMI-ZETCQYMHSA-N 0 0 195.266 2.170 10 0 AEAERN CO[C@H](C)c1nc2cc(N)ccc2o1 163845259 344231102 /nfs/dbraw/zinc/23/11/02/344231102.db2.gz WENCVXLFVXUOFI-ZCFIWIBFSA-N 0 0 192.218 2.117 10 0 AEAERN CO[C@@H](C)c1nc2cc(N)ccc2o1 163845165 344231144 /nfs/dbraw/zinc/23/11/44/344231144.db2.gz WENCVXLFVXUOFI-LURJTMIESA-N 0 0 192.218 2.117 10 0 AEAERN CO[C@H](C)c1nnc(C2CCCC2)[nH]1 163851528 344231147 /nfs/dbraw/zinc/23/11/47/344231147.db2.gz PRFYIDDRPJEVMI-SSDOTTSWSA-N 0 0 195.266 2.170 10 0 AEAERN CO[C@H](C)c1nc2cc(F)ccc2[nH]1 163859855 344231766 /nfs/dbraw/zinc/23/17/66/344231766.db2.gz VQONVMDLYNMEBM-ZCFIWIBFSA-N 0 0 194.209 2.409 10 0 AEAERN Cc1ccoc1C(=O)C(C)C 163866450 344231782 /nfs/dbraw/zinc/23/17/82/344231782.db2.gz KXRFZCLSTOQGRG-UHFFFAOYSA-N 0 0 152.193 2.427 10 0 AEAERN Cc1ccc(F)cc1C[C@H](O)C1CC1 163856434 344231821 /nfs/dbraw/zinc/23/18/21/344231821.db2.gz AZUFSCURXYDGMO-LBPRGKRZSA-N 0 0 194.249 2.448 10 0 AEAERN Cc1ccoc1C(=O)C1CCOCC1 163874964 344232357 /nfs/dbraw/zinc/23/23/57/344232357.db2.gz ZXUVUKLIGYFPBL-UHFFFAOYSA-N 0 0 194.230 2.197 10 0 AEAERN COC[C@H](C)c1cc(Cl)on1 163890311 344232789 /nfs/dbraw/zinc/23/27/89/344232789.db2.gz QZTYJAFOIHSION-YFKPBYRVSA-N 0 0 175.615 2.078 10 0 AEAERN COC[C@@H](C)c1cc(Cl)on1 163890430 344232813 /nfs/dbraw/zinc/23/28/13/344232813.db2.gz QZTYJAFOIHSION-RXMQYKEDSA-N 0 0 175.615 2.078 10 0 AEAERN C[C@@H](C1CC1)[C@@H](O)c1ccc[nH]1 163915207 344233257 /nfs/dbraw/zinc/23/32/57/344233257.db2.gz DTDPBUZDSKWXCY-OIBJUYFYSA-N 0 0 165.236 2.094 10 0 AEAERN C[C@H](C1CC1)[C@H](O)c1ccc[nH]1 163915123 344233273 /nfs/dbraw/zinc/23/32/73/344233273.db2.gz DTDPBUZDSKWXCY-XCBNKYQSSA-N 0 0 165.236 2.094 10 0 AEAERN Cc1ccoc1[C@H](N)c1ccoc1 163912867 344233286 /nfs/dbraw/zinc/23/32/86/344233286.db2.gz VFIUZBQMRYSAGZ-SECBINFHSA-N 0 0 177.203 2.229 10 0 AEAERN Cc1ccoc1[C@@H](N)c1ccoc1 163912981 344233440 /nfs/dbraw/zinc/23/34/40/344233440.db2.gz VFIUZBQMRYSAGZ-VIFPVBQESA-N 0 0 177.203 2.229 10 0 AEAERN C[C@@H](C1CC1)[C@H](O)c1ccc[nH]1 163915022 344233443 /nfs/dbraw/zinc/23/34/43/344233443.db2.gz DTDPBUZDSKWXCY-XVKPBYJWSA-N 0 0 165.236 2.094 10 0 AEAERN C[C@H](C1CC1)[C@@H](O)c1ccc[nH]1 163915304 344233505 /nfs/dbraw/zinc/23/35/05/344233505.db2.gz DTDPBUZDSKWXCY-GMSGAONNSA-N 0 0 165.236 2.094 10 0 AEAERN Cc1cc(N)ccc1N1CCCCO1 163950385 344233735 /nfs/dbraw/zinc/23/37/35/344233735.db2.gz GBXJHZGPHYTAJR-UHFFFAOYSA-N 0 0 192.262 2.109 10 0 AEAERN CCc1c(N)ccc(N)c1Cl 164020104 344234897 /nfs/dbraw/zinc/23/48/97/344234897.db2.gz HAGLYJRAGUNXHV-UHFFFAOYSA-N 0 0 170.643 2.067 10 0 AEAERN CCC(=O)[C@@H](C)C1CC1 164023849 344235033 /nfs/dbraw/zinc/23/50/33/344235033.db2.gz QULVEBPUMQZRJV-LURJTMIESA-N 0 0 126.199 2.012 10 0 AEAERN CCC(=O)[C@H](C)C1CC1 164023938 344235288 /nfs/dbraw/zinc/23/52/88/344235288.db2.gz QULVEBPUMQZRJV-ZCFIWIBFSA-N 0 0 126.199 2.012 10 0 AEAERN C[NH2+][C@H](C=C(C)C)c1cncc(F)c1 164055462 344235696 /nfs/dbraw/zinc/23/56/96/344235696.db2.gz OKAIJUSTBQGACR-LLVKDONJSA-N 0 0 194.253 2.447 10 0 AEAERN CC(C)=C[C@H]([NH3+])c1ccc(C)nc1 164058234 344235796 /nfs/dbraw/zinc/23/57/96/344235796.db2.gz OPGCKSARAHLGLX-NSHDSACASA-N 0 0 176.263 2.356 10 0 AEAERN CC(C)=C[C@@H]([NH3+])c1ccc(C)nc1 164058135 344235988 /nfs/dbraw/zinc/23/59/88/344235988.db2.gz OPGCKSARAHLGLX-LLVKDONJSA-N 0 0 176.263 2.356 10 0 AEAERN Clc1ccc(-c2cscn2)nn1 164088408 344237062 /nfs/dbraw/zinc/23/70/62/344237062.db2.gz TYDCKNKUDRBSSS-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN Nc1cccc(Cl)c1N1CCCO1 164146448 344237808 /nfs/dbraw/zinc/23/78/08/344237808.db2.gz TWWQADJAFZWVQY-UHFFFAOYSA-N 0 0 198.653 2.064 10 0 AEAERN Nc1ccc(Cl)cc1N1CCCO1 164139481 344237862 /nfs/dbraw/zinc/23/78/62/344237862.db2.gz WIFKYZWBZQIORK-UHFFFAOYSA-N 0 0 198.653 2.064 10 0 AEAERN Nc1ccc(N2CCCO2)c(Cl)c1 164143029 344237880 /nfs/dbraw/zinc/23/78/80/344237880.db2.gz GEOGDOPYCPUELK-UHFFFAOYSA-N 0 0 198.653 2.064 10 0 AEAERN Cc1cc(N)cc(N2CCCCO2)c1 164151119 344238187 /nfs/dbraw/zinc/23/81/87/344238187.db2.gz IGAFFPKYWRKBJW-UHFFFAOYSA-N 0 0 192.262 2.109 10 0 AEAERN CC[C@H](C)OC1CCC(=O)CC1 164154314 344238193 /nfs/dbraw/zinc/23/81/93/344238193.db2.gz XLKRMAKZCOLLGO-QMMMGPOBSA-N 0 0 170.252 2.313 10 0 AEAERN CC[C@]1(c2cccc(F)c2)C[C@@H]1CO 164165275 344238368 /nfs/dbraw/zinc/23/83/68/344238368.db2.gz CTZMNPHTVHBITH-ZYHUDNBSSA-N 0 0 194.249 2.486 10 0 AEAERN Cc1ccc(N2CCCCO2)cc1N 164158771 344238473 /nfs/dbraw/zinc/23/84/73/344238473.db2.gz NQUMXJKABZTKCJ-UHFFFAOYSA-N 0 0 192.262 2.109 10 0 AEAERN Cc1c(N)cccc1N1CCCCO1 164150072 344238419 /nfs/dbraw/zinc/23/84/19/344238419.db2.gz CQGBITWABDBFTA-UHFFFAOYSA-N 0 0 192.262 2.109 10 0 AEAERN Cc1cccc(N)c1N1CCCCO1 164153415 344238443 /nfs/dbraw/zinc/23/84/43/344238443.db2.gz LWWMLAKQPFKRPO-UHFFFAOYSA-N 0 0 192.262 2.109 10 0 AEAERN Cc1ccc(N)cc1N1CCCCO1 164158652 344238526 /nfs/dbraw/zinc/23/85/26/344238526.db2.gz BOYGWRMCDSXHHB-UHFFFAOYSA-N 0 0 192.262 2.109 10 0 AEAERN CC[C@@H](C)OC1CCC(=O)CC1 164154197 344238531 /nfs/dbraw/zinc/23/85/31/344238531.db2.gz XLKRMAKZCOLLGO-MRVPVSSYSA-N 0 0 170.252 2.313 10 0 AEAERN CC[C@]1(c2cccc(F)c2)C[C@H]1CO 164165513 344238720 /nfs/dbraw/zinc/23/87/20/344238720.db2.gz CTZMNPHTVHBITH-CMPLNLGQSA-N 0 0 194.249 2.486 10 0 AEAERN O=C1CCC(OCC2CCC2)CC1 164177738 344238731 /nfs/dbraw/zinc/23/87/31/344238731.db2.gz UXVDWRQRHIEXOK-UHFFFAOYSA-N 0 0 182.263 2.315 10 0 AEAERN CC(C)=CCOC1CCC(=O)CC1 164176889 344238768 /nfs/dbraw/zinc/23/87/68/344238768.db2.gz KRFSCUVRPYYSKO-UHFFFAOYSA-N 0 0 182.263 2.481 10 0 AEAERN C[C@@H]1C[C@H]1C(=O)C1CCC1 164205188 344239130 /nfs/dbraw/zinc/23/91/30/344239130.db2.gz OWJCOMQYTOKALD-HTRCEHHLSA-N 0 0 138.210 2.012 10 0 AEAERN C[C@@H]1C[C@@H]1C(=O)C1CCC1 164204947 344239222 /nfs/dbraw/zinc/23/92/22/344239222.db2.gz OWJCOMQYTOKALD-SVRRBLITSA-N 0 0 138.210 2.012 10 0 AEAERN C[C@H]1C[C@H]1C(=O)C1CCC1 164205303 344239372 /nfs/dbraw/zinc/23/93/72/344239372.db2.gz OWJCOMQYTOKALD-POYBYMJQSA-N 0 0 138.210 2.012 10 0 AEAERN OC1CCC(OCC2CCCC2)CC1 164194822 344239394 /nfs/dbraw/zinc/23/93/94/344239394.db2.gz RZULMIXRCKFCAV-UHFFFAOYSA-N 0 0 198.306 2.497 10 0 AEAERN OC1CCC(OCC2CCC2)CC1 164209944 344239430 /nfs/dbraw/zinc/23/94/30/344239430.db2.gz YQMSIQUPRGKEGL-UHFFFAOYSA-N 0 0 184.279 2.107 10 0 AEAERN CC[C@@H](C)OC1CCC(O)CC1 164218306 344239692 /nfs/dbraw/zinc/23/96/92/344239692.db2.gz SSCSHGILCSKFAZ-XNWIYYODSA-N 0 0 172.268 2.105 10 0 AEAERN CC[C@H](C)OC1CCC(O)CC1 164218441 344239747 /nfs/dbraw/zinc/23/97/47/344239747.db2.gz SSCSHGILCSKFAZ-IDKOKCKLSA-N 0 0 172.268 2.105 10 0 AEAERN CC(C)=CCOC1CCC(O)CC1 164211982 344239901 /nfs/dbraw/zinc/23/99/01/344239901.db2.gz IZIQNQHGXMFFIZ-UHFFFAOYSA-N 0 0 184.279 2.273 10 0 AEAERN CC(=O)Nc1ccc(C)c(N(C)C)c1 164259969 344240125 /nfs/dbraw/zinc/24/01/25/344240125.db2.gz HIRFEAFTIGOTHE-UHFFFAOYSA-N 0 0 192.262 2.019 10 0 AEAERN Nc1ccccc1C1=NC(=O)SC1 164274939 344240317 /nfs/dbraw/zinc/24/03/17/344240317.db2.gz MBEOZEOVYDXHPE-UHFFFAOYSA-N 0 0 192.243 2.098 10 0 AEAERN COC1CCC(O)(C(C)(C)C)CC1 164316313 344241181 /nfs/dbraw/zinc/24/11/81/344241181.db2.gz BHVHBNPFNGOVSY-UHFFFAOYSA-N 0 0 186.295 2.353 10 0 AEAERN COC1CCC(O)(C=C(C)C)CC1 164308209 344241198 /nfs/dbraw/zinc/24/11/98/344241198.db2.gz RUJBVPXOYVBKIC-UHFFFAOYSA-N 0 0 184.279 2.273 10 0 AEAERN COC1CCC(O)(c2ccco2)CC1 164306951 344241221 /nfs/dbraw/zinc/24/12/21/344241221.db2.gz DSPSJTIPNAUCGO-UHFFFAOYSA-N 0 0 196.246 2.056 10 0 AEAERN COC1CCC(O)(C2CCCC2)CC1 164307086 344241267 /nfs/dbraw/zinc/24/12/67/344241267.db2.gz OOTLNSKZYUXCLQ-UHFFFAOYSA-N 0 0 198.306 2.497 10 0 AEAERN CCCC1(O)CCC(OC)CC1 164312636 344241295 /nfs/dbraw/zinc/24/12/95/344241295.db2.gz ZPWQDGREJDPVAS-UHFFFAOYSA-N 0 0 172.268 2.107 10 0 AEAERN COC1CCC(O)(c2ccoc2)CC1 164319595 344241344 /nfs/dbraw/zinc/24/13/44/344241344.db2.gz ZSCQOAZTPFCGQV-UHFFFAOYSA-N 0 0 196.246 2.056 10 0 AEAERN CC[C@H](C)C1(O)CCC(OC)CC1 164311238 344241403 /nfs/dbraw/zinc/24/14/03/344241403.db2.gz VJKRNXAAKVDFLL-WHXUTIOJSA-N 0 0 186.295 2.353 10 0 AEAERN CC(C)OC(=O)NC1CCCC1 164329819 344241847 /nfs/dbraw/zinc/24/18/47/344241847.db2.gz GDMHLDKOWHTJCG-UHFFFAOYSA-N 0 0 171.240 2.064 10 0 AEAERN CCCN1CCOc2ccccc21 164338439 344242345 /nfs/dbraw/zinc/24/23/45/344242345.db2.gz LJOHWZDMOIWMNS-UHFFFAOYSA-N 0 0 177.247 2.295 10 0 AEAERN CCC1(C(=O)N2CCCO2)CCCC1 164343306 344242386 /nfs/dbraw/zinc/24/23/86/344242386.db2.gz AZLICOJYBLUNGI-UHFFFAOYSA-N 0 0 197.278 2.121 10 0 AEAERN CCCCCNC(=O)CCSC 164346380 344242508 /nfs/dbraw/zinc/24/25/08/344242508.db2.gz HNRJILLIQSFBIS-UHFFFAOYSA-N 0 0 189.324 2.046 10 0 AEAERN O=C(CC1CCCCC1)N1CCCO1 164352341 344242622 /nfs/dbraw/zinc/24/26/22/344242622.db2.gz IYCVZMIQLLZDDD-UHFFFAOYSA-N 0 0 197.278 2.121 10 0 AEAERN CCCC(=O)[C@@H]1Cc2ccccc2N1 164354629 344242696 /nfs/dbraw/zinc/24/26/96/344242696.db2.gz IFCWYTHFBONSQQ-NSHDSACASA-N 0 0 189.258 2.392 10 0 AEAERN COC1CCC([C@@H](O)C(C)C)CC1 164352796 344242729 /nfs/dbraw/zinc/24/27/29/344242729.db2.gz KBSDXXFERHCCLB-ILDUYXDCSA-N 0 0 186.295 2.209 10 0 AEAERN CCC(=O)[C@H]1CNc2ccccc21 164351106 344242750 /nfs/dbraw/zinc/24/27/50/344242750.db2.gz ZNPJKUYHGHYAIA-VIFPVBQESA-N 0 0 175.231 2.175 10 0 AEAERN Cc1c(N)cccc1C(=O)C1CC1 164359687 344242765 /nfs/dbraw/zinc/24/27/65/344242765.db2.gz OPBOPFYVAAEZHD-UHFFFAOYSA-N 0 0 175.231 2.170 10 0 AEAERN CCC(=O)[C@@H]1CNc2ccccc21 164350954 344242804 /nfs/dbraw/zinc/24/28/04/344242804.db2.gz ZNPJKUYHGHYAIA-SECBINFHSA-N 0 0 175.231 2.175 10 0 AEAERN CCCC(=O)[C@H]1Cc2ccccc2N1 164354707 344242816 /nfs/dbraw/zinc/24/28/16/344242816.db2.gz IFCWYTHFBONSQQ-LLVKDONJSA-N 0 0 189.258 2.392 10 0 AEAERN COC1CCC([C@H](O)C(C)C)CC1 164352907 344242911 /nfs/dbraw/zinc/24/29/11/344242911.db2.gz KBSDXXFERHCCLB-VQXHTEKXSA-N 0 0 186.295 2.209 10 0 AEAERN CC1(c2nccs2)CC1 164366433 344243175 /nfs/dbraw/zinc/24/31/75/344243175.db2.gz OXQIKZDNZATTJV-UHFFFAOYSA-N 0 0 139.223 2.195 10 0 AEAERN O=C(CCC1CCCC1)N1CCCO1 164362385 344243304 /nfs/dbraw/zinc/24/33/04/344243304.db2.gz KBXLSVXZEUGRIC-UHFFFAOYSA-N 0 0 197.278 2.121 10 0 AEAERN CCC[C@@]1(C)CC[C@H](O)C1 164866017 344253982 /nfs/dbraw/zinc/25/39/82/344253982.db2.gz ZLYFARBEWPQWQX-IUCAKERBSA-N 0 0 142.242 2.338 10 0 AEAERN CC[C@@H](C)Cc1noc(N)c1C 164407534 344244696 /nfs/dbraw/zinc/24/46/96/344244696.db2.gz BFSYZNXIKQUPFW-ZCFIWIBFSA-N 0 0 168.240 2.154 10 0 AEAERN CC[C@H](C)Cc1noc(N)c1C 164407654 344244761 /nfs/dbraw/zinc/24/47/61/344244761.db2.gz BFSYZNXIKQUPFW-LURJTMIESA-N 0 0 168.240 2.154 10 0 AEAERN Cc1nnc(-c2ccco2)s1 164504572 344245679 /nfs/dbraw/zinc/24/56/79/344245679.db2.gz VPUBEYXULZRSAV-UHFFFAOYSA-N 0 0 166.205 2.107 10 0 AEAERN CCC(C)(C)Nc1nnc(C)c(C)n1 164478076 344245744 /nfs/dbraw/zinc/24/57/44/344245744.db2.gz CCCVVFOQJCSGJL-UHFFFAOYSA-N 0 0 194.282 2.089 10 0 AEAERN O=[N+]([O-])c1ccc(Cl)cc1NO 164482299 344245828 /nfs/dbraw/zinc/24/58/28/344245828.db2.gz NSFIYTQTVBADMV-UHFFFAOYSA-N 0 0 188.570 2.049 10 0 AEAERN Fc1ccc(Cl)c(C[C@H]2CO2)c1 164541588 344246006 /nfs/dbraw/zinc/24/60/06/344246006.db2.gz AGBLYQXRAJHIJJ-QMMMGPOBSA-N 0 0 186.613 2.420 10 0 AEAERN Fc1ccc(Cl)c(C[C@@H]2CO2)c1 164541453 344246225 /nfs/dbraw/zinc/24/62/25/344246225.db2.gz AGBLYQXRAJHIJJ-MRVPVSSYSA-N 0 0 186.613 2.420 10 0 AEAERN CNC(=S)Nc1c(C)cccc1F 164573042 344246690 /nfs/dbraw/zinc/24/66/90/344246690.db2.gz NLKRIISZKDCWMX-UHFFFAOYSA-N 0 0 198.266 2.050 10 0 AEAERN CCC[C@](C)(CO)C1CC1 164603751 344247667 /nfs/dbraw/zinc/24/76/67/344247667.db2.gz MTBBNOSRQNIOCZ-SECBINFHSA-N 0 0 142.242 2.195 10 0 AEAERN CCC[C@@](C)(CO)C1CC1 164603629 344247816 /nfs/dbraw/zinc/24/78/16/344247816.db2.gz MTBBNOSRQNIOCZ-VIFPVBQESA-N 0 0 142.242 2.195 10 0 AEAERN CC[C@H](C)Cc1nc(Cl)no1 164663450 344249062 /nfs/dbraw/zinc/24/90/62/344249062.db2.gz FYBPZGZOLKCHQD-YFKPBYRVSA-N 0 0 174.631 2.312 10 0 AEAERN CC[C@@H](C)Cc1nc(Cl)no1 164663328 344249401 /nfs/dbraw/zinc/24/94/01/344249401.db2.gz FYBPZGZOLKCHQD-RXMQYKEDSA-N 0 0 174.631 2.312 10 0 AEAERN CO[C@@H](C)Cc1nc(C)cs1 164682032 344249479 /nfs/dbraw/zinc/24/94/79/344249479.db2.gz HSLCUBNCUOJMGZ-ZETCQYMHSA-N 0 0 171.265 2.029 10 0 AEAERN Cc1csc([C@@]2(C)CCCO2)n1 164679625 344249507 /nfs/dbraw/zinc/24/95/07/344249507.db2.gz ZUSTWSCGDZZPRH-SECBINFHSA-N 0 0 183.276 2.477 10 0 AEAERN Cc1cccc2c(CO)coc12 164673065 344249531 /nfs/dbraw/zinc/24/95/31/344249531.db2.gz QDPKEELEKYHEFO-UHFFFAOYSA-N 0 0 162.188 2.234 10 0 AEAERN CO[C@H](C)Cc1nc(C)cs1 164681903 344249630 /nfs/dbraw/zinc/24/96/30/344249630.db2.gz HSLCUBNCUOJMGZ-SSDOTTSWSA-N 0 0 171.265 2.029 10 0 AEAERN Cc1csc([C@]2(C)CCCO2)n1 164679549 344249636 /nfs/dbraw/zinc/24/96/36/344249636.db2.gz ZUSTWSCGDZZPRH-VIFPVBQESA-N 0 0 183.276 2.477 10 0 AEAERN Cc1csc(Cc2cccnc2)n1 164688017 344249921 /nfs/dbraw/zinc/24/99/21/344249921.db2.gz HOHNRKQWEXJAHP-UHFFFAOYSA-N 0 0 190.271 2.437 10 0 AEAERN CC[C@H](C)C[C@@]1(O)C[C@@H]1C 164687311 344249933 /nfs/dbraw/zinc/24/99/33/344249933.db2.gz JRZAZGBKMLUHDH-XHNCKOQMSA-N 0 0 142.242 2.194 10 0 AEAERN c1csc([C@H]2CCCOC2)n1 164700501 344249986 /nfs/dbraw/zinc/24/99/86/344249986.db2.gz KSOMUMGTLZFVBK-ZETCQYMHSA-N 0 0 169.249 2.037 10 0 AEAERN c1csc([C@@H]2CCCOC2)n1 164700409 344250005 /nfs/dbraw/zinc/25/00/05/344250005.db2.gz KSOMUMGTLZFVBK-SSDOTTSWSA-N 0 0 169.249 2.037 10 0 AEAERN Cc1csc(Cc2nccs2)n1 164697993 344250088 /nfs/dbraw/zinc/25/00/88/344250088.db2.gz PNKVQUHPOQFGBB-UHFFFAOYSA-N 0 0 196.300 2.499 10 0 AEAERN Cc1cnc(-c2nc(C)cs2)nc1 164693192 344250135 /nfs/dbraw/zinc/25/01/35/344250135.db2.gz RRWUNHSRXGANRE-UHFFFAOYSA-N 0 0 191.259 2.217 10 0 AEAERN CC[C@H](C)C[C@]1(O)C[C@@H]1C 164687094 344250166 /nfs/dbraw/zinc/25/01/66/344250166.db2.gz JRZAZGBKMLUHDH-CIUDSAMLSA-N 0 0 142.242 2.194 10 0 AEAERN Cc1csc(-c2ccnc(C)n2)n1 164690439 344250183 /nfs/dbraw/zinc/25/01/83/344250183.db2.gz VUIUBFJNIDOXJP-UHFFFAOYSA-N 0 0 191.259 2.217 10 0 AEAERN CCc1csc(C[C@H]2CCOC2)n1 164723026 344250378 /nfs/dbraw/zinc/25/03/78/344250378.db2.gz OJJGKYKZIQCTHJ-MRVPVSSYSA-N 0 0 197.303 2.285 10 0 AEAERN c1c[nH]c(-c2nc(C3CC3)cs2)n1 164712761 344250488 /nfs/dbraw/zinc/25/04/88/344250488.db2.gz DOSQQHOMYAMFCR-UHFFFAOYSA-N 0 0 191.259 2.411 10 0 AEAERN CCc1csc(C[C@@H]2CCOC2)n1 164722926 344250520 /nfs/dbraw/zinc/25/05/20/344250520.db2.gz OJJGKYKZIQCTHJ-QMMMGPOBSA-N 0 0 197.303 2.285 10 0 AEAERN CC(C)c1csc(-c2cn[nH]n2)n1 164710145 344250535 /nfs/dbraw/zinc/25/05/35/344250535.db2.gz VPNAIDHAESBJIG-UHFFFAOYSA-N 0 0 194.263 2.052 10 0 AEAERN CCc1csc(-c2ncc[nH]2)n1 164719785 344250552 /nfs/dbraw/zinc/25/05/52/344250552.db2.gz NKFOCVBYFGKDHL-UHFFFAOYSA-N 0 0 179.248 2.096 10 0 AEAERN CCc1csc(-c2ncccn2)n1 164726800 344250871 /nfs/dbraw/zinc/25/08/71/344250871.db2.gz DXGKVOHBRCMFEV-UHFFFAOYSA-N 0 0 191.259 2.163 10 0 AEAERN CCc1csc(-c2ccn(C)n2)n1 164728998 344250951 /nfs/dbraw/zinc/25/09/51/344250951.db2.gz QELRKYYYRREEHQ-UHFFFAOYSA-N 0 0 193.275 2.106 10 0 AEAERN CCCc1csc(-c2ncc[nH]2)n1 164731184 344251090 /nfs/dbraw/zinc/25/10/90/344251090.db2.gz VYMMRSVKNSEXAX-UHFFFAOYSA-N 0 0 193.275 2.486 10 0 AEAERN Cc1nccc(-c2ncc(C)s2)n1 164738198 344251092 /nfs/dbraw/zinc/25/10/92/344251092.db2.gz ZCUCNCFAOXPUFA-UHFFFAOYSA-N 0 0 191.259 2.217 10 0 AEAERN CO[C@H](C)c1ncc(C)s1 164737269 344251095 /nfs/dbraw/zinc/25/10/95/344251095.db2.gz FEBSVAMXEJNQMN-ZCFIWIBFSA-N 0 0 157.238 2.159 10 0 AEAERN CCc1csc(-c2ccncn2)n1 164728433 344251126 /nfs/dbraw/zinc/25/11/26/344251126.db2.gz KVEYKFGJTZPRJF-UHFFFAOYSA-N 0 0 191.259 2.163 10 0 AEAERN Cc1cnc(Cc2cccnc2)s1 164736767 344251136 /nfs/dbraw/zinc/25/11/36/344251136.db2.gz MOJZZXLIRMMKFX-UHFFFAOYSA-N 0 0 190.271 2.437 10 0 AEAERN CO[C@@H](C)c1ncc(C)s1 164737379 344251138 /nfs/dbraw/zinc/25/11/38/344251138.db2.gz FEBSVAMXEJNQMN-LURJTMIESA-N 0 0 157.238 2.159 10 0 AEAERN Cc1cnc(C[C@@H]2CCCO2)s1 164735978 344251146 /nfs/dbraw/zinc/25/11/46/344251146.db2.gz NWTNCYUBBOJBPG-QMMMGPOBSA-N 0 0 183.276 2.173 10 0 AEAERN Cc1cnc([C@H]2CCCOC2)s1 164751745 344251294 /nfs/dbraw/zinc/25/12/94/344251294.db2.gz BDDJNZPJTNLRMH-QMMMGPOBSA-N 0 0 183.276 2.346 10 0 AEAERN Cc1cnc([C@@]2(C)CCCO2)s1 164752887 344251328 /nfs/dbraw/zinc/25/13/28/344251328.db2.gz YAVBIDSNNLHRKW-SECBINFHSA-N 0 0 183.276 2.477 10 0 AEAERN COC(C)(C)c1ncc(C)s1 164758326 344251334 /nfs/dbraw/zinc/25/13/34/344251334.db2.gz RIEREUCFSYCIGD-UHFFFAOYSA-N 0 0 171.265 2.333 10 0 AEAERN Cc1cnc(C[C@@H]2CCOC2)s1 164745903 344251338 /nfs/dbraw/zinc/25/13/38/344251338.db2.gz ILGIAVNURBJFMO-QMMMGPOBSA-N 0 0 183.276 2.031 10 0 AEAERN Cc1cnc(CC2CC2)s1 164758846 344251347 /nfs/dbraw/zinc/25/13/47/344251347.db2.gz YFMXZRPGVCBITJ-UHFFFAOYSA-N 0 0 153.250 2.404 10 0 AEAERN Cc1cnc(C[C@H]2CCOC2)s1 164746003 344251366 /nfs/dbraw/zinc/25/13/66/344251366.db2.gz ILGIAVNURBJFMO-MRVPVSSYSA-N 0 0 183.276 2.031 10 0 AEAERN Cc1cnc([C@@H]2CCCOC2)s1 164751629 344251369 /nfs/dbraw/zinc/25/13/69/344251369.db2.gz BDDJNZPJTNLRMH-MRVPVSSYSA-N 0 0 183.276 2.346 10 0 AEAERN CCC(=O)CCCSC 164757737 344251376 /nfs/dbraw/zinc/25/13/76/344251376.db2.gz DIBRVGHQZRQENZ-UHFFFAOYSA-N 0 0 146.255 2.109 10 0 AEAERN CO[C@H](C)Cc1ncc(C)s1 164749935 344251394 /nfs/dbraw/zinc/25/13/94/344251394.db2.gz UPZRMZQGEVOVIN-ZCFIWIBFSA-N 0 0 171.265 2.029 10 0 AEAERN Cc1cnc(Cc2ccccn2)s1 164755605 344251441 /nfs/dbraw/zinc/25/14/41/344251441.db2.gz HKMQLBKIMOTRCZ-UHFFFAOYSA-N 0 0 190.271 2.437 10 0 AEAERN Cc1cnc(-c2ncc(C)s2)nc1 164745644 344251519 /nfs/dbraw/zinc/25/15/19/344251519.db2.gz MUPAAHKAUFVBAO-UHFFFAOYSA-N 0 0 191.259 2.217 10 0 AEAERN CO[C@@H](C)Cc1ncc(C)s1 164750055 344251536 /nfs/dbraw/zinc/25/15/36/344251536.db2.gz UPZRMZQGEVOVIN-LURJTMIESA-N 0 0 171.265 2.029 10 0 AEAERN CCc1nnc([C@]2(C)CCCS2)[nH]1 164760558 344251768 /nfs/dbraw/zinc/25/17/68/344251768.db2.gz VATHTXFTXDDSNR-VIFPVBQESA-N 0 0 197.307 2.109 10 0 AEAERN CCc1nnc([C@@]2(C)CCCS2)[nH]1 164760663 344251794 /nfs/dbraw/zinc/25/17/94/344251794.db2.gz VATHTXFTXDDSNR-SECBINFHSA-N 0 0 197.307 2.109 10 0 AEAERN CCc1cnc([C@H]2CCOC2)s1 164767297 344251885 /nfs/dbraw/zinc/25/18/85/344251885.db2.gz YLWCJLDCWGYWEC-ZETCQYMHSA-N 0 0 183.276 2.209 10 0 AEAERN CCc1cnc([C@@H]2CCOC2)s1 164767176 344251893 /nfs/dbraw/zinc/25/18/93/344251893.db2.gz YLWCJLDCWGYWEC-SSDOTTSWSA-N 0 0 183.276 2.209 10 0 AEAERN CCc1cnc(-c2ncc[nH]2)s1 164763740 344252002 /nfs/dbraw/zinc/25/20/02/344252002.db2.gz LPXYUSLDRKULGZ-UHFFFAOYSA-N 0 0 179.248 2.096 10 0 AEAERN COCc1ncc(C(C)C)s1 164778763 344252109 /nfs/dbraw/zinc/25/21/09/344252109.db2.gz UMTXTAGIFMGQFA-UHFFFAOYSA-N 0 0 171.265 2.413 10 0 AEAERN CC(C)(C)Oc1cc(C=O)ccc1O 164780613 344252123 /nfs/dbraw/zinc/25/21/23/344252123.db2.gz OQHANSZDVMFTQZ-UHFFFAOYSA-N 0 0 194.230 2.382 10 0 AEAERN CC(C)c1cnc(CN(C)C)s1 164777547 344252162 /nfs/dbraw/zinc/25/21/62/344252162.db2.gz BSZUAGVGRWJJLJ-UHFFFAOYSA-N 0 0 184.308 2.328 10 0 AEAERN CC(C)c1cnc(-c2cn[nH]n2)s1 164786475 344252278 /nfs/dbraw/zinc/25/22/78/344252278.db2.gz OIHSAXSASXHZGN-UHFFFAOYSA-N 0 0 194.263 2.052 10 0 AEAERN CCc1cnc(-c2ncccn2)s1 164773714 344252307 /nfs/dbraw/zinc/25/23/07/344252307.db2.gz XPPKDQMHRKYDCS-UHFFFAOYSA-N 0 0 191.259 2.163 10 0 AEAERN CC(C)c1cnc(N(C)C)s1 164782587 344252369 /nfs/dbraw/zinc/25/23/69/344252369.db2.gz NSPYRGTXEWBSNZ-UHFFFAOYSA-N 0 0 170.281 2.333 10 0 AEAERN CCc1cnc(-c2ccn(C)n2)s1 164776553 344252396 /nfs/dbraw/zinc/25/23/96/344252396.db2.gz PKISKWXFXBNBSG-UHFFFAOYSA-N 0 0 193.275 2.106 10 0 AEAERN CC[C@@H](C)Cc1onc(N)c1Cl 164827947 344253012 /nfs/dbraw/zinc/25/30/12/344253012.db2.gz ZLRYHCFFKXONQM-RXMQYKEDSA-N 0 0 188.658 2.499 10 0 AEAERN C[C@@H](c1onc(N)c1Cl)C1CC1 164841708 344253294 /nfs/dbraw/zinc/25/32/94/344253294.db2.gz VNNYQPXCODGEDG-SCSAIBSYSA-N 0 0 186.642 2.424 10 0 AEAERN Cc1c(N)noc1[C@@H](C)C1CC1 164839616 344253317 /nfs/dbraw/zinc/25/33/17/344253317.db2.gz QHZIAIQCCQKGFE-YFKPBYRVSA-N 0 0 166.224 2.079 10 0 AEAERN CC(C)n1cnnc1[C@@H](C)C1CC1 164862598 344253347 /nfs/dbraw/zinc/25/33/47/344253347.db2.gz NBXAIRVSIHEIEB-QMMMGPOBSA-N 0 0 179.267 2.373 10 0 AEAERN C[C@H](c1onc(N)c1Cl)C1CC1 164841820 344253360 /nfs/dbraw/zinc/25/33/60/344253360.db2.gz VNNYQPXCODGEDG-BYPYZUCNSA-N 0 0 186.642 2.424 10 0 AEAERN C[C@H](c1nncn1C1CC1)C1CC1 164862964 344253383 /nfs/dbraw/zinc/25/33/83/344253383.db2.gz NYYZXTWJNVESGN-ZETCQYMHSA-N 0 0 177.251 2.127 10 0 AEAERN C[C@@H](c1nncn1C1CC1)C1CC1 164862838 344253434 /nfs/dbraw/zinc/25/34/34/344253434.db2.gz NYYZXTWJNVESGN-SSDOTTSWSA-N 0 0 177.251 2.127 10 0 AEAERN CC(C)n1cnnc1[C@H](C)C1CC1 164862710 344253463 /nfs/dbraw/zinc/25/34/63/344253463.db2.gz NBXAIRVSIHEIEB-MRVPVSSYSA-N 0 0 179.267 2.373 10 0 AEAERN CCc1c(N)noc1[C@H](C)C1CC1 164840200 344253467 /nfs/dbraw/zinc/25/34/67/344253467.db2.gz RDECVZGWAHBGNF-ZCFIWIBFSA-N 0 0 180.251 2.333 10 0 AEAERN CCc1c(N)noc1[C@@H](C)C1CC1 164840071 344253582 /nfs/dbraw/zinc/25/35/82/344253582.db2.gz RDECVZGWAHBGNF-LURJTMIESA-N 0 0 180.251 2.333 10 0 AEAERN Cc1c(N)noc1[C@H](C)C1CC1 164839717 344253588 /nfs/dbraw/zinc/25/35/88/344253588.db2.gz QHZIAIQCCQKGFE-RXMQYKEDSA-N 0 0 166.224 2.079 10 0 AEAERN CCC[C@]1(C)CC[C@@H](O)C1 164866132 344253795 /nfs/dbraw/zinc/25/37/95/344253795.db2.gz ZLYFARBEWPQWQX-RKDXNWHRSA-N 0 0 142.242 2.338 10 0 AEAERN CC[C@H](C)Cc1nnc(Cl)o1 164868493 344253893 /nfs/dbraw/zinc/25/38/93/344253893.db2.gz LPGLLIOJGGHQFG-YFKPBYRVSA-N 0 0 174.631 2.312 10 0 AEAERN CC[C@@H](C)Cc1nnc(Cl)o1 164868370 344253905 /nfs/dbraw/zinc/25/39/05/344253905.db2.gz LPGLLIOJGGHQFG-RXMQYKEDSA-N 0 0 174.631 2.312 10 0 AEAERN CCC[C@]1(C)CC[C@H](O)C1 164865902 344253922 /nfs/dbraw/zinc/25/39/22/344253922.db2.gz ZLYFARBEWPQWQX-DTWKUNHWSA-N 0 0 142.242 2.338 10 0 AEAERN CCC[C@@]1(C)CC[C@@H](O)C1 164866238 344253926 /nfs/dbraw/zinc/25/39/26/344253926.db2.gz ZLYFARBEWPQWQX-BDAKNGLRSA-N 0 0 142.242 2.338 10 0 AEAERN Cc1c[nH]c(-c2cnccc2C)n1 164906069 344254112 /nfs/dbraw/zinc/25/41/12/344254112.db2.gz DBFDTTRWQLOFAP-UHFFFAOYSA-N 0 0 173.219 2.089 10 0 AEAERN Cc1ccncc1-c1nc(N)cs1 164921048 344254473 /nfs/dbraw/zinc/25/44/73/344254473.db2.gz JXIWKYLATWTAKN-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN COC(=O)C=CNc1ccccc1C 164932494 344254893 /nfs/dbraw/zinc/25/48/93/344254893.db2.gz RKKCLDMGUQXWRD-BQYQJAHWSA-N 0 0 191.230 2.094 10 0 AEAERN Cc1ccc(C=O)cc1-c1cnccn1 164937806 344254984 /nfs/dbraw/zinc/25/49/84/344254984.db2.gz KLMYUOHLPJPAIT-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN NNc1cccc2ccsc12 164942755 344255226 /nfs/dbraw/zinc/25/52/26/344255226.db2.gz IWFDEZXNMZJKLS-UHFFFAOYSA-N 0 0 164.233 2.187 10 0 AEAERN FC(F)COc1nc(Cl)cs1 164952563 344255732 /nfs/dbraw/zinc/25/57/32/344255732.db2.gz QZAIFVQBELZDSE-UHFFFAOYSA-N 0 0 199.609 2.440 10 0 AEAERN CCCc1cccc(F)c1N 164996908 344256471 /nfs/dbraw/zinc/25/64/71/344256471.db2.gz VTEMKSUWSPYDTE-UHFFFAOYSA-N 0 0 153.200 2.360 10 0 AEAERN Clc1nc([C@H]2CCOC2)cs1 164991945 344256622 /nfs/dbraw/zinc/25/66/22/344256622.db2.gz ISBARXWKRBPMEX-YFKPBYRVSA-N 0 0 189.667 2.300 10 0 AEAERN CCc1cc(F)cc(F)c1N 164988340 344256744 /nfs/dbraw/zinc/25/67/44/344256744.db2.gz DXOLGQNCTMSYBS-UHFFFAOYSA-N 0 0 157.163 2.109 10 0 AEAERN Clc1nc([C@@H]2CCOC2)cs1 164991824 344256767 /nfs/dbraw/zinc/25/67/67/344256767.db2.gz ISBARXWKRBPMEX-RXMQYKEDSA-N 0 0 189.667 2.300 10 0 AEAERN CCCC(=O)c1ccncc1C 165008729 344256772 /nfs/dbraw/zinc/25/67/72/344256772.db2.gz XFELJHIJISYNRA-UHFFFAOYSA-N 0 0 163.220 2.373 10 0 AEAERN CNc1c(C)cc(C)cc1F 165037424 344257137 /nfs/dbraw/zinc/25/71/37/344257137.db2.gz HWWZJHNRZUIZAZ-UHFFFAOYSA-N 0 0 153.200 2.484 10 0 AEAERN Clc1csc(Nn2cccc2)n1 165065208 344257352 /nfs/dbraw/zinc/25/73/52/344257352.db2.gz JJOATTODSSWNSP-UHFFFAOYSA-N 0 0 199.666 2.473 10 0 AEAERN Cc1ccoc1[C@@H](O)CC1CC1 165088597 344257858 /nfs/dbraw/zinc/25/78/58/344257858.db2.gz WLSJNHRPUMEHHA-VIFPVBQESA-N 0 0 166.220 2.422 10 0 AEAERN Fc1ccc(CN2CCC2)cc1F 165069508 344257883 /nfs/dbraw/zinc/25/78/83/344257883.db2.gz JLWVEBAINMYECR-UHFFFAOYSA-N 0 0 183.201 2.171 10 0 AEAERN CCN(C)c1nc(Cl)cs1 165110209 344258422 /nfs/dbraw/zinc/25/84/22/344258422.db2.gz GEAIAKJPWJBPBA-UHFFFAOYSA-N 0 0 176.672 2.253 10 0 AEAERN CCC[C@H](C)Nc1cc(=O)[nH]c(C)n1 165170576 344259428 /nfs/dbraw/zinc/25/94/28/344259428.db2.gz LXTHUDIYTYBHCN-ZETCQYMHSA-N 0 0 195.266 2.091 10 0 AEAERN CCC[C@@H](C)Nc1cc(=O)[nH]c(C)n1 165170458 344259466 /nfs/dbraw/zinc/25/94/66/344259466.db2.gz LXTHUDIYTYBHCN-SSDOTTSWSA-N 0 0 195.266 2.091 10 0 AEAERN Cc1nccn1-c1nc(Cl)cs1 165237336 344260527 /nfs/dbraw/zinc/26/05/27/344260527.db2.gz GXDGEZCMQHZFGQ-UHFFFAOYSA-N 0 0 199.666 2.291 10 0 AEAERN Cc1cnn(-c2nc(Cl)cs2)c1 165237771 344260590 /nfs/dbraw/zinc/26/05/90/344260590.db2.gz HIJWRVSLPOJDFD-UHFFFAOYSA-N 0 0 199.666 2.291 10 0 AEAERN Cc1ccn(-c2nc(Cl)cs2)n1 165240052 344260606 /nfs/dbraw/zinc/26/06/06/344260606.db2.gz FRRSDRXBHGAMJW-UHFFFAOYSA-N 0 0 199.666 2.291 10 0 AEAERN CCc1c(C)nc2ccccn12 165365696 344262641 /nfs/dbraw/zinc/26/26/41/344262641.db2.gz UZVKCFQTOFCBSK-UHFFFAOYSA-N 0 0 160.220 2.205 10 0 AEAERN CC1(OC(=O)Oc2ccccn2)CC1 165372597 344263109 /nfs/dbraw/zinc/26/31/09/344263109.db2.gz IYDGTYRHXWMCFJ-UHFFFAOYSA-N 0 0 193.202 2.150 10 0 AEAERN Cn1cc(-c2nc(Cl)cs2)cn1 165401919 344263155 /nfs/dbraw/zinc/26/31/55/344263155.db2.gz VXTVUIAWYCPYFZ-UHFFFAOYSA-N 0 0 199.666 2.197 10 0 AEAERN Cn1nccc1-c1nc(Cl)cs1 165414042 344263380 /nfs/dbraw/zinc/26/33/80/344263380.db2.gz OYBKWJUAWSJGPG-UHFFFAOYSA-N 0 0 199.666 2.197 10 0 AEAERN CC1(C)CCc2sc(N)nc2C1 165411264 344263466 /nfs/dbraw/zinc/26/34/66/344263466.db2.gz XIHRYZNTQPMYQQ-UHFFFAOYSA-N 0 0 182.292 2.240 10 0 AEAERN OC/C=C/C1=CCCCC1 165483714 344265140 /nfs/dbraw/zinc/26/51/40/344265140.db2.gz PPUSHEPARGRHET-QPJJXVBHSA-N 0 0 138.210 2.035 10 0 AEAERN Nc1cc(F)cc(-c2ncco2)c1 165685400 344267207 /nfs/dbraw/zinc/26/72/07/344267207.db2.gz SFQNLOSFFQPMPZ-UHFFFAOYSA-N 0 0 178.166 2.063 10 0 AEAERN CC(C)(C)[C@H](NN)c1ccc(F)cc1 165693593 344267241 /nfs/dbraw/zinc/26/72/41/344267241.db2.gz OLUIBPYZHBNWDN-SNVBAGLBSA-N 0 0 196.269 2.376 10 0 AEAERN Fc1cc(OC2CCC2)ccn1 165686591 344267274 /nfs/dbraw/zinc/26/72/74/344267274.db2.gz IRKFUQLJKKEUKM-UHFFFAOYSA-N 0 0 167.183 2.152 10 0 AEAERN CC(C)(C)[C@@H](NN)c1ccc(F)cc1 165693714 344267307 /nfs/dbraw/zinc/26/73/07/344267307.db2.gz OLUIBPYZHBNWDN-JTQLQIEISA-N 0 0 196.269 2.376 10 0 AEAERN Cc1cnc(-c2cc(N)cc(F)c2)o1 165680723 344267310 /nfs/dbraw/zinc/26/73/10/344267310.db2.gz WUPFCIUYJZFZRG-UHFFFAOYSA-N 0 0 192.193 2.371 10 0 AEAERN Cc1coc(-c2cc(N)cc(F)c2)n1 165686101 344267360 /nfs/dbraw/zinc/26/73/60/344267360.db2.gz KHANFCCXRIGQGN-UHFFFAOYSA-N 0 0 192.193 2.371 10 0 AEAERN Cc1nc2c(C)c(Cl)cnc2[nH]1 165722001 344268330 /nfs/dbraw/zinc/26/83/30/344268330.db2.gz ADKIJZWUCJWCGG-UHFFFAOYSA-N 0 0 181.626 2.228 10 0 AEAERN CC(C)=C[C@@H](NN)c1cccc(F)c1 165749678 344268691 /nfs/dbraw/zinc/26/86/91/344268691.db2.gz KOAVTXSOWRAXMV-LLVKDONJSA-N 0 0 194.253 2.296 10 0 AEAERN CC(C)C(=O)[C@H](C)C1CC1 167723021 344312944 /nfs/dbraw/zinc/31/29/44/344312944.db2.gz LSAOIOYYZNRYOO-SSDOTTSWSA-N 0 0 140.226 2.258 10 0 AEAERN CC(C)=C[C@H](NN)c1cccc(F)c1 165749554 344268924 /nfs/dbraw/zinc/26/89/24/344268924.db2.gz KOAVTXSOWRAXMV-NSHDSACASA-N 0 0 194.253 2.296 10 0 AEAERN O[C@@H]1CCCCC[C@H]1c1ccc[nH]1 165773827 344269188 /nfs/dbraw/zinc/26/91/88/344269188.db2.gz LTVMUILUSSBJFH-GXSJLCMTSA-N 0 0 179.263 2.423 10 0 AEAERN O[C@H]1CCCCC[C@@H]1c1ccc[nH]1 165773699 344269214 /nfs/dbraw/zinc/26/92/14/344269214.db2.gz LTVMUILUSSBJFH-KOLCDFICSA-N 0 0 179.263 2.423 10 0 AEAERN O[C@@H]1CCCCC[C@@H]1c1ccc[nH]1 165773567 344269414 /nfs/dbraw/zinc/26/94/14/344269414.db2.gz LTVMUILUSSBJFH-MWLCHTKSSA-N 0 0 179.263 2.423 10 0 AEAERN O[C@H]1CCCCC[C@H]1c1ccc[nH]1 165773953 344269443 /nfs/dbraw/zinc/26/94/43/344269443.db2.gz LTVMUILUSSBJFH-ONGXEEELSA-N 0 0 179.263 2.423 10 0 AEAERN Oc1ccc(Cl)nc1CCl 165806919 344270310 /nfs/dbraw/zinc/27/03/10/344270310.db2.gz PIJGQLNPPWNYEO-UHFFFAOYSA-N 0 0 178.018 2.179 10 0 AEAERN NN[C@H](c1cccs1)C1CCCC1 165818169 344270677 /nfs/dbraw/zinc/27/06/77/344270677.db2.gz JQVKNZGRUAGEPK-JTQLQIEISA-N 0 0 196.319 2.443 10 0 AEAERN NN[C@@H](c1cccs1)C1CCCC1 165818045 344270700 /nfs/dbraw/zinc/27/07/00/344270700.db2.gz JQVKNZGRUAGEPK-SNVBAGLBSA-N 0 0 196.319 2.443 10 0 AEAERN Cc1c[nH]c(-c2ccncc2)c1 165843679 344271200 /nfs/dbraw/zinc/27/12/00/344271200.db2.gz BFLTVPOHOVPXSM-UHFFFAOYSA-N 0 0 158.204 2.385 10 0 AEAERN CC(C)(C)[C@@H](NN)c1cccs1 165871275 344271588 /nfs/dbraw/zinc/27/15/88/344271588.db2.gz VXFABEBUGMMQIB-QMMMGPOBSA-N 0 0 184.308 2.299 10 0 AEAERN CC(C)(C)[C@H](NN)c1cccs1 165871166 344271622 /nfs/dbraw/zinc/27/16/22/344271622.db2.gz VXFABEBUGMMQIB-MRVPVSSYSA-N 0 0 184.308 2.299 10 0 AEAERN CCC[C@@H](C)c1nc2cncnc2[nH]1 165880017 344271961 /nfs/dbraw/zinc/27/19/61/344271961.db2.gz IYJXNIRCMWDYEU-SSDOTTSWSA-N 0 0 190.250 2.257 10 0 AEAERN CCC[C@H](C)c1nc2cncnc2[nH]1 165880135 344272085 /nfs/dbraw/zinc/27/20/85/344272085.db2.gz IYJXNIRCMWDYEU-ZETCQYMHSA-N 0 0 190.250 2.257 10 0 AEAERN c1ccc(NCc2cc[nH]c2)nc1 165879281 344272103 /nfs/dbraw/zinc/27/21/03/344272103.db2.gz OQLWKOUSEAEETI-UHFFFAOYSA-N 0 0 173.219 2.022 10 0 AEAERN NN[C@@H](c1cccc(Cl)c1)C1CC1 165971309 344272851 /nfs/dbraw/zinc/27/28/51/344272851.db2.gz UAPIKWPAGOEULR-SNVBAGLBSA-N 0 0 196.681 2.254 10 0 AEAERN O[C@]1(c2ccncc2F)C=CCCC1 165947734 344272907 /nfs/dbraw/zinc/27/29/07/344272907.db2.gz ASYYAMVXADCLBT-LLVKDONJSA-N 0 0 193.221 2.148 10 0 AEAERN Cc1ccc([C@@H](NN)C2CCC2)cc1 165962669 344272972 /nfs/dbraw/zinc/27/29/72/344272972.db2.gz APQWPTNXRCIGOZ-LBPRGKRZSA-N 0 0 190.290 2.300 10 0 AEAERN NN[C@H](c1cccc(Cl)c1)C1CC1 165971432 344272989 /nfs/dbraw/zinc/27/29/89/344272989.db2.gz UAPIKWPAGOEULR-JTQLQIEISA-N 0 0 196.681 2.254 10 0 AEAERN Cc1ccc([C@H](NN)C2CCC2)cc1 165962543 344272994 /nfs/dbraw/zinc/27/29/94/344272994.db2.gz APQWPTNXRCIGOZ-GFCCVEGCSA-N 0 0 190.290 2.300 10 0 AEAERN Cc1cc2c(s1)CCCC(=O)N2 165987191 344273233 /nfs/dbraw/zinc/27/32/33/344273233.db2.gz CKSJRKXRXUWWNA-UHFFFAOYSA-N 0 0 181.260 2.331 10 0 AEAERN Fc1cccc2sncc12 166002063 344273358 /nfs/dbraw/zinc/27/33/58/344273358.db2.gz QNKJNSZZYKGSKK-UHFFFAOYSA-N 0 0 153.181 2.435 10 0 AEAERN C=Cc1ccc(C=O)cc1C 166037100 344273638 /nfs/dbraw/zinc/27/36/38/344273638.db2.gz VMKLALNSJQSTBT-UHFFFAOYSA-N 0 0 146.189 2.451 10 0 AEAERN C[C@@H]1CCO[C@H]1C(=O)C(C)(C)C 168160587 344321962 /nfs/dbraw/zinc/32/19/62/344321962.db2.gz MXYNNWFFNWKEIE-HTQZYQBOSA-N 0 0 170.252 2.027 10 0 AEAERN CC[C@@H]1CC(=O)Oc2ccccc21 166158228 344275277 /nfs/dbraw/zinc/27/52/77/344275277.db2.gz YIVJUSCMFQYFBJ-MRVPVSSYSA-N 0 0 176.215 2.489 10 0 AEAERN CC(C)CC1N=NC(=S)N1C(C)C 166146322 344275383 /nfs/dbraw/zinc/27/53/83/344275383.db2.gz BTTDXKFBCSYFMV-UHFFFAOYSA-N 0 0 199.323 2.346 10 0 AEAERN O=Cc1ccc(N2CC=CCC2)s1 166182029 344275825 /nfs/dbraw/zinc/27/58/25/344275825.db2.gz QOEBPOYZGYJSPO-UHFFFAOYSA-N 0 0 193.271 2.327 10 0 AEAERN CC1=CCN(c2ccc(C=O)o2)CC1 166185391 344275983 /nfs/dbraw/zinc/27/59/83/344275983.db2.gz XVBSKWBOBHHJJN-UHFFFAOYSA-N 0 0 191.230 2.249 10 0 AEAERN O=Cc1cc(N2CC=CCC2)cs1 166181898 344275990 /nfs/dbraw/zinc/27/59/90/344275990.db2.gz KVPJDENRQOVPPT-UHFFFAOYSA-N 0 0 193.271 2.327 10 0 AEAERN O=Cc1ccccc1N1CC=CCC1 166180128 344276004 /nfs/dbraw/zinc/27/60/04/344276004.db2.gz STPMSFRZAXVMEJ-UHFFFAOYSA-N 0 0 187.242 2.265 10 0 AEAERN COC(=O)c1cc(OC)cc(C)c1C 166198175 344276264 /nfs/dbraw/zinc/27/62/64/344276264.db2.gz JRDRLDLXZZVAOD-UHFFFAOYSA-N 0 0 194.230 2.099 10 0 AEAERN Cc1cnc(-c2ccc(F)cc2N)o1 166246388 344276795 /nfs/dbraw/zinc/27/67/95/344276795.db2.gz CQBKIIJIMFBLHT-UHFFFAOYSA-N 0 0 192.193 2.371 10 0 AEAERN O=c1cc(Cl)ncn1C1CCCC1 166234031 344277089 /nfs/dbraw/zinc/27/70/89/344277089.db2.gz QDSDJQOYCBLXLY-UHFFFAOYSA-N 0 0 198.653 2.012 10 0 AEAERN Nc1cc(F)ccc1-c1ncco1 166247796 344277445 /nfs/dbraw/zinc/27/74/45/344277445.db2.gz LFJDFMKXXKWCPB-UHFFFAOYSA-N 0 0 178.166 2.063 10 0 AEAERN O[C@H]1CCCC2(CCCC2)C1 166276656 344277743 /nfs/dbraw/zinc/27/77/43/344277743.db2.gz GONUOAXYPGGCQL-VIFPVBQESA-N 0 0 154.253 2.482 10 0 AEAERN CNc1ccnc(C[NH2+]C(C)(C)C)c1 166292711 344278254 /nfs/dbraw/zinc/27/82/54/344278254.db2.gz CDSPJOQIKMOOCR-UHFFFAOYSA-N 0 0 193.294 2.011 10 0 AEAERN C/C=C/C(=O)Nc1cccc(Cl)n1 166302477 344279039 /nfs/dbraw/zinc/27/90/39/344279039.db2.gz WBXIMQPZMWTFAQ-DUXPYHPUSA-N 0 0 196.637 2.250 10 0 AEAERN CCC(C)(C)[C@H](O)C1=CCCO1 168515101 344332561 /nfs/dbraw/zinc/33/25/61/344332561.db2.gz GNJBPNIGBORJGR-SECBINFHSA-N 0 0 170.252 2.088 10 0 AEAERN NN[C@@H](c1ccsc1)C1CCCC1 166341016 344279441 /nfs/dbraw/zinc/27/94/41/344279441.db2.gz VWOMPSMLIFYJGT-SNVBAGLBSA-N 0 0 196.319 2.443 10 0 AEAERN NN[C@H](c1ccsc1)C1CCCC1 166341124 344279543 /nfs/dbraw/zinc/27/95/43/344279543.db2.gz VWOMPSMLIFYJGT-JTQLQIEISA-N 0 0 196.319 2.443 10 0 AEAERN C[C@H](C(=O)C1CC1)C1CC1 168632546 344333906 /nfs/dbraw/zinc/33/39/06/344333906.db2.gz LWEFMBBGUJPUDO-LURJTMIESA-N 0 0 138.210 2.012 10 0 AEAERN CC[C@H]1CCN(c2ccc(C=O)o2)C1 166390834 344280430 /nfs/dbraw/zinc/28/04/30/344280430.db2.gz GRRHRABBJJNIPZ-VIFPVBQESA-N 0 0 193.246 2.328 10 0 AEAERN CC(=O)N1Cc2cccc(Cl)c2C1 166391551 344280534 /nfs/dbraw/zinc/28/05/34/344280534.db2.gz ADVAYEWWQFTIFW-UHFFFAOYSA-N 0 0 195.649 2.202 10 0 AEAERN NN[C@H](c1ccsc1)C1CCC1 166392946 344280577 /nfs/dbraw/zinc/28/05/77/344280577.db2.gz CZPFZMRGOOFABX-VIFPVBQESA-N 0 0 182.292 2.053 10 0 AEAERN NN[C@@H](c1ccsc1)C1CCC1 166392841 344280615 /nfs/dbraw/zinc/28/06/15/344280615.db2.gz CZPFZMRGOOFABX-SECBINFHSA-N 0 0 182.292 2.053 10 0 AEAERN CC(=O)[C@H]1CCc2ccccc2N1 166375922 344280617 /nfs/dbraw/zinc/28/06/17/344280617.db2.gz QJLCYMQQQNKIJE-SNVBAGLBSA-N 0 0 175.231 2.002 10 0 AEAERN Fc1ncccc1-c1ccccn1 166395435 344280664 /nfs/dbraw/zinc/28/06/64/344280664.db2.gz FNUADNXZAXEMTJ-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 AEAERN CC(=O)[C@@H]1CCc2ccccc2N1 166375814 344280684 /nfs/dbraw/zinc/28/06/84/344280684.db2.gz QJLCYMQQQNKIJE-JTQLQIEISA-N 0 0 175.231 2.002 10 0 AEAERN CC(C)(C)[C@H](NN)c1ccsc1 166391022 344280749 /nfs/dbraw/zinc/28/07/49/344280749.db2.gz DHDQVSZOPXWMEI-MRVPVSSYSA-N 0 0 184.308 2.299 10 0 AEAERN CC(C)(C)[C@@H](NN)c1ccsc1 166391115 344280766 /nfs/dbraw/zinc/28/07/66/344280766.db2.gz DHDQVSZOPXWMEI-QMMMGPOBSA-N 0 0 184.308 2.299 10 0 AEAERN CC[C@@H]1CCN(c2ccc(C=O)o2)C1 166390767 344280769 /nfs/dbraw/zinc/28/07/69/344280769.db2.gz GRRHRABBJJNIPZ-SECBINFHSA-N 0 0 193.246 2.328 10 0 AEAERN CC(C)Nc1cccc2nccn12 166402461 344280904 /nfs/dbraw/zinc/28/09/04/344280904.db2.gz YJRNYGWDRJHEAL-UHFFFAOYSA-N 0 0 175.235 2.155 10 0 AEAERN CCCNc1cccc2nccn12 166402341 344280990 /nfs/dbraw/zinc/28/09/90/344280990.db2.gz BVAFMPIIHWAWLE-UHFFFAOYSA-N 0 0 175.235 2.156 10 0 AEAERN c1cc(NC2CCC2)n2ccnc2c1 166414318 344281139 /nfs/dbraw/zinc/28/11/39/344281139.db2.gz JEXRLJFWYHMZIH-UHFFFAOYSA-N 0 0 187.246 2.299 10 0 AEAERN Cc1ccc2c(c1)C(=O)SC2=O 166431062 344281698 /nfs/dbraw/zinc/28/16/98/344281698.db2.gz KPBJRIDPXOFOKB-UHFFFAOYSA-N 0 0 178.212 2.022 10 0 AEAERN CC1(C)CC[C@H](CC2(CO)CCC2)O1 166439662 344281897 /nfs/dbraw/zinc/28/18/97/344281897.db2.gz HNTIMASNZILYPK-SNVBAGLBSA-N 0 0 198.306 2.497 10 0 AEAERN CC1(C)CC[C@H](CC2(CO)CC2)O1 166439905 344281929 /nfs/dbraw/zinc/28/19/29/344281929.db2.gz BSGHYOSWRCIGKB-SECBINFHSA-N 0 0 184.279 2.107 10 0 AEAERN CC1(C)CC[C@@H](CC2(CO)CC2)O1 166440009 344282064 /nfs/dbraw/zinc/28/20/64/344282064.db2.gz BSGHYOSWRCIGKB-VIFPVBQESA-N 0 0 184.279 2.107 10 0 AEAERN CC1(C)CC[C@@H](CC2(CO)CCC2)O1 166439777 344282123 /nfs/dbraw/zinc/28/21/23/344282123.db2.gz HNTIMASNZILYPK-JTQLQIEISA-N 0 0 198.306 2.497 10 0 AEAERN FC(F)(F)c1csc(=S)[nH]1 166463797 344282375 /nfs/dbraw/zinc/28/23/75/344282375.db2.gz YVJNSJXQUKIQGE-UHFFFAOYSA-N 0 0 185.195 2.451 10 0 AEAERN C[C@@H]1O[C@H](C)[C@H](C(=O)C2CC2)[C@H]1C 166513786 344283307 /nfs/dbraw/zinc/28/33/07/344283307.db2.gz QNTLGVPRTLNROE-QHOPCYEYSA-N 0 0 182.263 2.025 10 0 AEAERN O=C1Cc2cc(C3CC3)ccc2N1 166516119 344283314 /nfs/dbraw/zinc/28/33/14/344283314.db2.gz AJZMZMYIAKKFOG-UHFFFAOYSA-N 0 0 173.215 2.059 10 0 AEAERN COc1cc(C)c(F)cc1OC 166493397 344283423 /nfs/dbraw/zinc/28/34/23/344283423.db2.gz QSVLJBZGNWJJOW-UHFFFAOYSA-N 0 0 170.183 2.151 10 0 AEAERN C[C@@H]1O[C@H](C)[C@H](C(=O)C2CC2)[C@@H]1C 166513717 344283548 /nfs/dbraw/zinc/28/35/48/344283548.db2.gz QNTLGVPRTLNROE-IBCQBUCCSA-N 0 0 182.263 2.025 10 0 AEAERN CC[C@H]1CCN(c2ccnc(F)c2)C1 166491344 344283622 /nfs/dbraw/zinc/28/36/22/344283622.db2.gz LEXPVNNCDSSZMN-VIFPVBQESA-N 0 0 194.253 2.457 10 0 AEAERN Nc1ccc(C(F)(F)F)c(F)c1O 166491497 344283742 /nfs/dbraw/zinc/28/37/42/344283742.db2.gz LIHORUAALZXMLT-UHFFFAOYSA-N 0 0 195.115 2.132 10 0 AEAERN COc1csc(C(=O)C2CC2)c1 166525379 344284086 /nfs/dbraw/zinc/28/40/86/344284086.db2.gz HRVJRIUCYRZEAH-UHFFFAOYSA-N 0 0 182.244 2.349 10 0 AEAERN O=C1C[C@@H]2CCc3cc(F)cc1c32 166547273 344284392 /nfs/dbraw/zinc/28/43/92/344284392.db2.gz LAVZJDLHGHMSCN-ZETCQYMHSA-N 0 0 176.190 2.442 10 0 AEAERN Cc1nc(N)sc1SC1CC1 166571552 344284547 /nfs/dbraw/zinc/28/45/47/344284547.db2.gz GJJYRRXXZASQRO-UHFFFAOYSA-N 0 0 186.305 2.288 10 0 AEAERN O=C1C[C@H]2CCc3cc(F)cc1c32 166547157 344284624 /nfs/dbraw/zinc/28/46/24/344284624.db2.gz LAVZJDLHGHMSCN-SSDOTTSWSA-N 0 0 176.190 2.442 10 0 AEAERN O=C1C[C@H]2c3ccc(F)cc3C[C@@H]12 166599422 344285283 /nfs/dbraw/zinc/28/52/83/344285283.db2.gz VTOHCPGOCVQQCS-VHSXEESVSA-N 0 0 176.190 2.054 10 0 AEAERN O=C1C[C@@H]2c3ccc(F)cc3C[C@@H]12 166599209 344285308 /nfs/dbraw/zinc/28/53/08/344285308.db2.gz VTOHCPGOCVQQCS-NXEZZACHSA-N 0 0 176.190 2.054 10 0 AEAERN O=C1C[C@H]2c3ccc(F)cc3C[C@H]12 166599539 344285350 /nfs/dbraw/zinc/28/53/50/344285350.db2.gz VTOHCPGOCVQQCS-UWVGGRQHSA-N 0 0 176.190 2.054 10 0 AEAERN O=C1CCNCc2cc(Cl)ccc21 166598885 344285392 /nfs/dbraw/zinc/28/53/92/344285392.db2.gz JADWIZHEWFQNCL-UHFFFAOYSA-N 0 0 195.649 2.016 10 0 AEAERN O=C1C[C@@H]2c3ccc(F)cc3C[C@H]12 166599316 344285450 /nfs/dbraw/zinc/28/54/50/344285450.db2.gz VTOHCPGOCVQQCS-ZJUUUORDSA-N 0 0 176.190 2.054 10 0 AEAERN Fc1cc(F)c2n[nH]c(Cl)c2c1 166611079 344285473 /nfs/dbraw/zinc/28/54/73/344285473.db2.gz NMAMYILGTPFRLF-UHFFFAOYSA-N 0 0 188.564 2.495 10 0 AEAERN Fc1cc2[nH]nc(Cl)c2cc1F 166603554 344285493 /nfs/dbraw/zinc/28/54/93/344285493.db2.gz IGYFEPCFFGVLQE-UHFFFAOYSA-N 0 0 188.564 2.495 10 0 AEAERN Cc1cc(OC(F)F)c(F)cc1N 166611149 344285594 /nfs/dbraw/zinc/28/55/94/344285594.db2.gz RXTQKLFUPNPOBP-UHFFFAOYSA-N 0 0 191.152 2.318 10 0 AEAERN CN(C)c1ccc2[nH]nc(Cl)c2c1 166603699 344285695 /nfs/dbraw/zinc/28/56/95/344285695.db2.gz KACYIDWMDXMJKR-UHFFFAOYSA-N 0 0 195.653 2.282 10 0 AEAERN NC(=S)CCC1CCCC1 166617621 344285835 /nfs/dbraw/zinc/28/58/35/344285835.db2.gz VTYPVJYMLCPWME-UHFFFAOYSA-N 0 0 157.282 2.243 10 0 AEAERN CC[C@H](O)c1cc(C)[nH]c1C 166622110 344286157 /nfs/dbraw/zinc/28/61/57/344286157.db2.gz XLMVXWTVZATHJP-VIFPVBQESA-N 0 0 153.225 2.075 10 0 AEAERN CC[C@@H](O)c1cc(C)[nH]c1C 166621981 344286295 /nfs/dbraw/zinc/28/62/95/344286295.db2.gz XLMVXWTVZATHJP-SECBINFHSA-N 0 0 153.225 2.075 10 0 AEAERN C#Cc1cc2ncnc(Cl)c2s1 166629154 344286309 /nfs/dbraw/zinc/28/63/09/344286309.db2.gz WHMPBCONOBJDQC-UHFFFAOYSA-N 0 0 194.646 2.326 10 0 AEAERN CC(C)(O)Cc1c(F)cccc1F 166630148 344286316 /nfs/dbraw/zinc/28/63/16/344286316.db2.gz FOPULDKOOBQNGJ-UHFFFAOYSA-N 0 0 186.201 2.278 10 0 AEAERN CCNc1cnccc1Cl 166658746 344286600 /nfs/dbraw/zinc/28/66/00/344286600.db2.gz MMGOVASPVXHLPX-UHFFFAOYSA-N 0 0 156.616 2.167 10 0 AEAERN CCNC(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C 166661314 344286704 /nfs/dbraw/zinc/28/67/04/344286704.db2.gz KHAGJGBLGBDROG-BBBLOLIVSA-N 0 0 198.310 2.082 10 0 AEAERN CCNC(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C 166661101 344286810 /nfs/dbraw/zinc/28/68/10/344286810.db2.gz KHAGJGBLGBDROG-UTLUCORTSA-N 0 0 198.310 2.082 10 0 AEAERN CNc1nc(Cl)nc2sccc12 166692094 344286937 /nfs/dbraw/zinc/28/69/37/344286937.db2.gz OBMZMTRDDWXAKG-UHFFFAOYSA-N 0 0 199.666 2.386 10 0 AEAERN C=C/C=C(/C(=O)OC)c1ccccc1 166682551 344287223 /nfs/dbraw/zinc/28/72/23/344287223.db2.gz CUISUHHWCVWKIB-YRNVUSSQSA-N 0 0 188.226 2.429 10 0 AEAERN C[C@H]1C[C@H]1CNc1ccccc1N 166729019 344287526 /nfs/dbraw/zinc/28/75/26/344287526.db2.gz PQVMGLGQYHIPDG-IUCAKERBSA-N 0 0 176.263 2.337 10 0 AEAERN C[C@@H]1C[C@H]1CNc1ccccc1N 166728907 344287596 /nfs/dbraw/zinc/28/75/96/344287596.db2.gz PQVMGLGQYHIPDG-BDAKNGLRSA-N 0 0 176.263 2.337 10 0 AEAERN C[C@@H]1C[C@@H]1CNc1ccccc1N 166728689 344287805 /nfs/dbraw/zinc/28/78/05/344287805.db2.gz PQVMGLGQYHIPDG-RKDXNWHRSA-N 0 0 176.263 2.337 10 0 AEAERN COC(=O)Cc1occ2ccccc12 166728282 344287853 /nfs/dbraw/zinc/28/78/53/344287853.db2.gz RFPSNOCMOWBMAO-UHFFFAOYSA-N 0 0 190.198 2.148 10 0 AEAERN C[C@H]1C[C@@H]1CNc1ccccc1N 166728794 344287867 /nfs/dbraw/zinc/28/78/67/344287867.db2.gz PQVMGLGQYHIPDG-DTWKUNHWSA-N 0 0 176.263 2.337 10 0 AEAERN C[C@@H]1C[C@@H]1CNc1cccc(N)c1 166740666 344288074 /nfs/dbraw/zinc/28/80/74/344288074.db2.gz NNUBVSOCBIIWSK-RKDXNWHRSA-N 0 0 176.263 2.337 10 0 AEAERN C[C@H]1C[C@H]1CNc1cccc(N)c1 166741001 344288350 /nfs/dbraw/zinc/28/83/50/344288350.db2.gz NNUBVSOCBIIWSK-IUCAKERBSA-N 0 0 176.263 2.337 10 0 AEAERN C[C@@H]1C[C@H]1CNc1cccc(N)c1 166740899 344288381 /nfs/dbraw/zinc/28/83/81/344288381.db2.gz NNUBVSOCBIIWSK-BDAKNGLRSA-N 0 0 176.263 2.337 10 0 AEAERN CCn1ccc2cccc(N)c21 166792503 344289378 /nfs/dbraw/zinc/28/93/78/344289378.db2.gz SIBHOCWKSAJSEZ-UHFFFAOYSA-N 0 0 160.220 2.243 10 0 AEAERN COc1c(C)cc(F)c(F)c1F 166814763 344289516 /nfs/dbraw/zinc/28/95/16/344289516.db2.gz YKTDIOYKGZUAAT-UHFFFAOYSA-N 0 0 176.137 2.421 10 0 AEAERN Nc1cccc2ccn(CCF)c12 166799033 344289551 /nfs/dbraw/zinc/28/95/51/344289551.db2.gz GURIIEUOYRUKEE-UHFFFAOYSA-N 0 0 178.210 2.193 10 0 AEAERN CC(C)=C[C@@H](NN)c1ccccc1 166813142 344289717 /nfs/dbraw/zinc/28/97/17/344289717.db2.gz OUAGAEYSSGFEMU-LLVKDONJSA-N 0 0 176.263 2.157 10 0 AEAERN Cc1ccccc1[C@@H](NN)C(C)C 166819347 344289781 /nfs/dbraw/zinc/28/97/81/344289781.db2.gz ZGCVZHAGZBZAJC-NSHDSACASA-N 0 0 178.279 2.155 10 0 AEAERN Cc1ccccc1[C@H](NN)C(C)C 166819241 344289853 /nfs/dbraw/zinc/28/98/53/344289853.db2.gz ZGCVZHAGZBZAJC-LLVKDONJSA-N 0 0 178.279 2.155 10 0 AEAERN CC(C)(C)C(=O)C(C)(F)F 166800277 344289859 /nfs/dbraw/zinc/28/98/59/344289859.db2.gz LNLWFRGLUATGNC-UHFFFAOYSA-N 0 0 150.168 2.257 10 0 AEAERN CC(C)=C[C@H](NN)c1ccccc1 166813038 344289884 /nfs/dbraw/zinc/28/98/84/344289884.db2.gz OUAGAEYSSGFEMU-NSHDSACASA-N 0 0 176.263 2.157 10 0 AEAERN Cc1ccc(F)cc1[C@H](NN)C(C)C 166828726 344290067 /nfs/dbraw/zinc/29/00/67/344290067.db2.gz TZOGETCCPMMOEP-LLVKDONJSA-N 0 0 196.269 2.295 10 0 AEAERN CC(C)[C@@H](NN)[C@H]1CCC[C@@H](C)C1 166836315 344290108 /nfs/dbraw/zinc/29/01/08/344290108.db2.gz PVMBNSPPYYKRRI-OUAUKWLOSA-N 0 0 184.327 2.301 10 0 AEAERN C[C@@]1(C2CC2)CCC(=O)C1 166839626 344290278 /nfs/dbraw/zinc/29/02/78/344290278.db2.gz ZVGIBMOSBYVWBZ-SECBINFHSA-N 0 0 138.210 2.156 10 0 AEAERN Cc1ccc([C@@H](NN)C(C)C)s1 166842886 344290202 /nfs/dbraw/zinc/29/02/02/344290202.db2.gz TVYGBARJMUTNPK-VIFPVBQESA-N 0 0 184.308 2.217 10 0 AEAERN Cc1ccc([C@@H](NN)C(C)C)c(C)c1 166842203 344290224 /nfs/dbraw/zinc/29/02/24/344290224.db2.gz ZWYMGHNNZSFYLD-LBPRGKRZSA-N 0 0 192.306 2.464 10 0 AEAERN Cc1ccc([C@H](NN)C(C)C)s1 166842767 344290236 /nfs/dbraw/zinc/29/02/36/344290236.db2.gz TVYGBARJMUTNPK-SECBINFHSA-N 0 0 184.308 2.217 10 0 AEAERN [O-][n+]1ccc2cccc(Cl)c2c1 166836586 344290281 /nfs/dbraw/zinc/29/02/81/344290281.db2.gz TWMYTPMANOEIII-UHFFFAOYSA-N 0 0 179.606 2.127 10 0 AEAERN Cc1cc([C@H](NN)C(C)C)ccc1F 166829648 344290301 /nfs/dbraw/zinc/29/03/01/344290301.db2.gz ACVGYCJYKPDLFF-LLVKDONJSA-N 0 0 196.269 2.295 10 0 AEAERN Cc1ccc(F)cc1[C@@H](NN)C(C)C 166828835 344290309 /nfs/dbraw/zinc/29/03/09/344290309.db2.gz TZOGETCCPMMOEP-NSHDSACASA-N 0 0 196.269 2.295 10 0 AEAERN Cc1ccc(F)c([C@@H](NN)C(C)C)c1 166829978 344290332 /nfs/dbraw/zinc/29/03/32/344290332.db2.gz RXDLCZHKOWFSCP-NSHDSACASA-N 0 0 196.269 2.295 10 0 AEAERN C[C@]1(C2CC2)CCC(=O)C1 166839505 344290358 /nfs/dbraw/zinc/29/03/58/344290358.db2.gz ZVGIBMOSBYVWBZ-VIFPVBQESA-N 0 0 138.210 2.156 10 0 AEAERN Cc1ccc(F)c([C@H](NN)C(C)C)c1 166829884 344290373 /nfs/dbraw/zinc/29/03/73/344290373.db2.gz RXDLCZHKOWFSCP-LLVKDONJSA-N 0 0 196.269 2.295 10 0 AEAERN Cc1ccc([C@H](NN)C(C)C)c(C)c1 166842090 344290400 /nfs/dbraw/zinc/29/04/00/344290400.db2.gz ZWYMGHNNZSFYLD-GFCCVEGCSA-N 0 0 192.306 2.464 10 0 AEAERN Cc1cc([C@@H](NN)C(C)C)ccc1F 166829765 344290413 /nfs/dbraw/zinc/29/04/13/344290413.db2.gz ACVGYCJYKPDLFF-NSHDSACASA-N 0 0 196.269 2.295 10 0 AEAERN Cc1cc(F)ccc1[C@H](NN)C(C)C 166843233 344290420 /nfs/dbraw/zinc/29/04/20/344290420.db2.gz VNNYUSUBFKXSQY-LLVKDONJSA-N 0 0 196.269 2.295 10 0 AEAERN CC(C)[C@@H](NN)[C@@H]1CCC[C@@H](C)C1 166836550 344290423 /nfs/dbraw/zinc/29/04/23/344290423.db2.gz PVMBNSPPYYKRRI-GMTAPVOTSA-N 0 0 184.327 2.301 10 0 AEAERN C[C@@]1(Cc2nccs2)CCC(=O)C1 166853486 344290584 /nfs/dbraw/zinc/29/05/84/344290584.db2.gz SQCGZPKZCLCTNF-SNVBAGLBSA-N 0 0 195.287 2.445 10 0 AEAERN C[C@]1(Cc2nccs2)CCC(=O)C1 166853376 344290745 /nfs/dbraw/zinc/29/07/45/344290745.db2.gz SQCGZPKZCLCTNF-JTQLQIEISA-N 0 0 195.287 2.445 10 0 AEAERN C[C@@]1(c2ccoc2)CCC(=O)C1 166851007 344290624 /nfs/dbraw/zinc/29/06/24/344290624.db2.gz DHEXGCALZPTSDY-SNVBAGLBSA-N 0 0 164.204 2.290 10 0 AEAERN Cc1cccc([C@@H](NN)C(C)C)c1 166851313 344290707 /nfs/dbraw/zinc/29/07/07/344290707.db2.gz IDKFTKVACJUZHP-NSHDSACASA-N 0 0 178.279 2.155 10 0 AEAERN C[C@]1(c2ccoc2)CCC(=O)C1 166850908 344290774 /nfs/dbraw/zinc/29/07/74/344290774.db2.gz DHEXGCALZPTSDY-JTQLQIEISA-N 0 0 164.204 2.290 10 0 AEAERN Cc1cccc([C@H](NN)C(C)C)c1 166851186 344290779 /nfs/dbraw/zinc/29/07/79/344290779.db2.gz IDKFTKVACJUZHP-LLVKDONJSA-N 0 0 178.279 2.155 10 0 AEAERN Cc1ccc([C@@]2(C)CCC(=O)C2)cn1 166844379 344290815 /nfs/dbraw/zinc/29/08/15/344290815.db2.gz GGDQTJFUZIBKBH-LBPRGKRZSA-N 0 0 189.258 2.401 10 0 AEAERN Cc1ccc([C@]2(C)CCC(=O)C2)cn1 166844259 344290898 /nfs/dbraw/zinc/29/08/98/344290898.db2.gz GGDQTJFUZIBKBH-GFCCVEGCSA-N 0 0 189.258 2.401 10 0 AEAERN Cc1cc(F)ccc1[C@@H](NN)C(C)C 166843337 344290969 /nfs/dbraw/zinc/29/09/69/344290969.db2.gz VNNYUSUBFKXSQY-NSHDSACASA-N 0 0 196.269 2.295 10 0 AEAERN C[C@]1(c2cccnc2)CCC(=O)C1 166871435 344291040 /nfs/dbraw/zinc/29/10/40/344291040.db2.gz TWYWCKHVRBBQQT-NSHDSACASA-N 0 0 175.231 2.092 10 0 AEAERN C[C@]1(c2ccco2)CCC(=O)C1 166869028 344291092 /nfs/dbraw/zinc/29/10/92/344291092.db2.gz SEBSQAFDYLXJSE-JTQLQIEISA-N 0 0 164.204 2.290 10 0 AEAERN COc1ccc([C@H](O)C=C(C)C)cn1 166858430 344291169 /nfs/dbraw/zinc/29/11/69/344291169.db2.gz YCIZBUCMIISMBN-SNVBAGLBSA-N 0 0 193.246 2.090 10 0 AEAERN c1cncc(OCc2cncs2)c1 166872268 344291186 /nfs/dbraw/zinc/29/11/86/344291186.db2.gz SNKODTLRSILHGP-UHFFFAOYSA-N 0 0 192.243 2.117 10 0 AEAERN Cc1cc(C)n(Cc2cncs2)n1 166856276 344291209 /nfs/dbraw/zinc/29/12/09/344291209.db2.gz BAJDBDDIEIPJSY-UHFFFAOYSA-N 0 0 193.275 2.005 10 0 AEAERN Cc1ccsc1[C@H](NN)C(C)C 166863958 344291266 /nfs/dbraw/zinc/29/12/66/344291266.db2.gz CMSMEMSPRNWCOT-MRVPVSSYSA-N 0 0 184.308 2.217 10 0 AEAERN C[C@@]1(c2cccnc2)CCC(=O)C1 166871541 344291295 /nfs/dbraw/zinc/29/12/95/344291295.db2.gz TWYWCKHVRBBQQT-LLVKDONJSA-N 0 0 175.231 2.092 10 0 AEAERN C[C@@]1(c2ccco2)CCC(=O)C1 166869138 344291335 /nfs/dbraw/zinc/29/13/35/344291335.db2.gz SEBSQAFDYLXJSE-SNVBAGLBSA-N 0 0 164.204 2.290 10 0 AEAERN Cc1ccsc1[C@@H](NN)C(C)C 166864072 344291352 /nfs/dbraw/zinc/29/13/52/344291352.db2.gz CMSMEMSPRNWCOT-QMMMGPOBSA-N 0 0 184.308 2.217 10 0 AEAERN COc1ccc([C@@H](O)C=C(C)C)cn1 166858340 344291358 /nfs/dbraw/zinc/29/13/58/344291358.db2.gz YCIZBUCMIISMBN-JTQLQIEISA-N 0 0 193.246 2.090 10 0 AEAERN C[C@]1(Cc2cncs2)CCC(=O)C1 166884823 344291564 /nfs/dbraw/zinc/29/15/64/344291564.db2.gz ZPGPCIFTJJUMIQ-JTQLQIEISA-N 0 0 195.287 2.445 10 0 AEAERN C[C@]1(C2CCOCC2)CCC(=O)C1 166881432 344291630 /nfs/dbraw/zinc/29/16/30/344291630.db2.gz DIPGBVHUOXJAJR-NSHDSACASA-N 0 0 182.263 2.172 10 0 AEAERN C[C@@]1(Cc2ccncc2)CCC(=O)C1 166883081 344291657 /nfs/dbraw/zinc/29/16/57/344291657.db2.gz AUNWSZYANVHZBA-LBPRGKRZSA-N 0 0 189.258 2.383 10 0 AEAERN C[C@@]1(Cc2cncs2)CCC(=O)C1 166884932 344291660 /nfs/dbraw/zinc/29/16/60/344291660.db2.gz ZPGPCIFTJJUMIQ-SNVBAGLBSA-N 0 0 195.287 2.445 10 0 AEAERN Cc1ccc([C@H](NN)C(C)C)cc1C 166875860 344291681 /nfs/dbraw/zinc/29/16/81/344291681.db2.gz GBSITKSVSCICQY-GFCCVEGCSA-N 0 0 192.306 2.464 10 0 AEAERN C[C@@]1(C2CCOCC2)CCC(=O)C1 166881525 344291768 /nfs/dbraw/zinc/29/17/68/344291768.db2.gz DIPGBVHUOXJAJR-LLVKDONJSA-N 0 0 182.263 2.172 10 0 AEAERN Cc1ccc([C@@H](NN)C(C)C)cc1C 166875965 344291845 /nfs/dbraw/zinc/29/18/45/344291845.db2.gz GBSITKSVSCICQY-LBPRGKRZSA-N 0 0 192.306 2.464 10 0 AEAERN C[C@]1(Cc2ccncc2)CCC(=O)C1 166882965 344291854 /nfs/dbraw/zinc/29/18/54/344291854.db2.gz AUNWSZYANVHZBA-GFCCVEGCSA-N 0 0 189.258 2.383 10 0 AEAERN Cc1cc(C)cc([C@H](NN)C(C)C)c1 166889070 344292297 /nfs/dbraw/zinc/29/22/97/344292297.db2.gz OQBRYAQQRAKDBJ-GFCCVEGCSA-N 0 0 192.306 2.464 10 0 AEAERN Cc1cc(C)cc([C@@H](NN)C(C)C)c1 166889186 344292401 /nfs/dbraw/zinc/29/24/01/344292401.db2.gz OQBRYAQQRAKDBJ-LBPRGKRZSA-N 0 0 192.306 2.464 10 0 AEAERN CC(C)[C@H](C(N)=O)c1ccc(F)cc1 166902484 344292497 /nfs/dbraw/zinc/29/24/97/344292497.db2.gz FYAGJSMKBPSGJX-JTQLQIEISA-N 0 0 195.237 2.051 10 0 AEAERN CC(C)[C@@H](C(N)=O)c1ccc(F)cc1 166902595 344292524 /nfs/dbraw/zinc/29/25/24/344292524.db2.gz FYAGJSMKBPSGJX-SNVBAGLBSA-N 0 0 195.237 2.051 10 0 AEAERN C=Cc1c(C)cccc1C(=O)OC 166910765 344292638 /nfs/dbraw/zinc/29/26/38/344292638.db2.gz HOHOTFDOPMOUEL-UHFFFAOYSA-N 0 0 176.215 2.425 10 0 AEAERN C=Cc1ccc(OC)cc1C(=O)OC 166910912 344292789 /nfs/dbraw/zinc/29/27/89/344292789.db2.gz IQLKJBBRSMNONY-UHFFFAOYSA-N 0 0 192.214 2.125 10 0 AEAERN O[C@@H]1CCCC2(CCCC2)C1 166944689 344293185 /nfs/dbraw/zinc/29/31/85/344293185.db2.gz GONUOAXYPGGCQL-SECBINFHSA-N 0 0 154.253 2.482 10 0 AEAERN CCOC(=O)/C(C)=C1/CCCOCC1 166940923 344293248 /nfs/dbraw/zinc/29/32/48/344293248.db2.gz KPCSMCKLRBSPLZ-KTKRTIGZSA-N 0 0 198.262 2.067 10 0 AEAERN COC/C=C/c1ccc(C=O)cc1 166941095 344293347 /nfs/dbraw/zinc/29/33/47/344293347.db2.gz HTFRYQGAOCHLOJ-NSCUHMNNSA-N 0 0 176.215 2.159 10 0 AEAERN CC(=O)N1CCCC[C@H]1C(C)(C)C 166960891 344293493 /nfs/dbraw/zinc/29/34/93/344293493.db2.gz VYVACAULWRNNHB-JTQLQIEISA-N 0 0 183.295 2.434 10 0 AEAERN CC(=O)N1CCCC[C@@H]1C(C)(C)C 166960784 344293575 /nfs/dbraw/zinc/29/35/75/344293575.db2.gz VYVACAULWRNNHB-SNVBAGLBSA-N 0 0 183.295 2.434 10 0 AEAERN CO[C@@H](C)CNc1cccc(C)c1 166972145 344294084 /nfs/dbraw/zinc/29/40/84/344294084.db2.gz RCMKMMVQXAHHJI-JTQLQIEISA-N 0 0 179.263 2.442 10 0 AEAERN CO[C@H](C)CNc1cccc(C)c1 166972031 344294118 /nfs/dbraw/zinc/29/41/18/344294118.db2.gz RCMKMMVQXAHHJI-SNVBAGLBSA-N 0 0 179.263 2.442 10 0 AEAERN CO[C@H](C)CNc1ccc(F)cc1 166989242 344294325 /nfs/dbraw/zinc/29/43/25/344294325.db2.gz VQJCBRIODJXMTQ-MRVPVSSYSA-N 0 0 183.226 2.273 10 0 AEAERN CO[C@H](C)CNc1ccccc1C 166995167 344294333 /nfs/dbraw/zinc/29/43/33/344294333.db2.gz GDZGIILZZZGTGF-SNVBAGLBSA-N 0 0 179.263 2.442 10 0 AEAERN CO[C@H](C)CNc1cccc(F)c1 166987783 344294388 /nfs/dbraw/zinc/29/43/88/344294388.db2.gz QNMGTTJNWINPLJ-MRVPVSSYSA-N 0 0 183.226 2.273 10 0 AEAERN CO[C@@H](C)CNc1cccc(F)c1 166987681 344294392 /nfs/dbraw/zinc/29/43/92/344294392.db2.gz QNMGTTJNWINPLJ-QMMMGPOBSA-N 0 0 183.226 2.273 10 0 AEAERN CO[C@@H](C)CNc1ccc(F)cc1 166989133 344294414 /nfs/dbraw/zinc/29/44/14/344294414.db2.gz VQJCBRIODJXMTQ-QMMMGPOBSA-N 0 0 183.226 2.273 10 0 AEAERN CO[C@@H](C)CNc1ccccc1F 166989627 344294554 /nfs/dbraw/zinc/29/45/54/344294554.db2.gz MPNCDTZZLKZKKK-QMMMGPOBSA-N 0 0 183.226 2.273 10 0 AEAERN CO[C@H](C)CNc1ccccc1F 166989745 344294591 /nfs/dbraw/zinc/29/45/91/344294591.db2.gz MPNCDTZZLKZKKK-MRVPVSSYSA-N 0 0 183.226 2.273 10 0 AEAERN CO[C@@H](C)CNc1ccccc1C 166995256 344294608 /nfs/dbraw/zinc/29/46/08/344294608.db2.gz GDZGIILZZZGTGF-JTQLQIEISA-N 0 0 179.263 2.442 10 0 AEAERN CC[C@H](C)[C@H]1CC[C@@H](O)C1 167000647 344294865 /nfs/dbraw/zinc/29/48/65/344294865.db2.gz JUHYKZLTQKVCAP-XHNCKOQMSA-N 0 0 142.242 2.194 10 0 AEAERN CC[C@H](C)[C@@H]1CC[C@@H](O)C1 167000443 344294914 /nfs/dbraw/zinc/29/49/14/344294914.db2.gz JUHYKZLTQKVCAP-DJLDLDEBSA-N 0 0 142.242 2.194 10 0 AEAERN CC(C)=C[C@H](NN)c1ccccc1C 166999296 344295065 /nfs/dbraw/zinc/29/50/65/344295065.db2.gz QLTJVZZRIKTMFN-LBPRGKRZSA-N 0 0 190.290 2.466 10 0 AEAERN CC(C)=C[C@@H](NN)c1ccccc1C 166999204 344295150 /nfs/dbraw/zinc/29/51/50/344295150.db2.gz QLTJVZZRIKTMFN-GFCCVEGCSA-N 0 0 190.290 2.466 10 0 AEAERN CNC(=O)/C=C(/C)C1CCCCC1 167013228 344295334 /nfs/dbraw/zinc/29/53/34/344295334.db2.gz OOYUCMJDDRFSMH-HJWRWDBZSA-N 0 0 181.279 2.259 10 0 AEAERN C/C(=C/C(N)=O)CCc1ccccc1 167012459 344295423 /nfs/dbraw/zinc/29/54/23/344295423.db2.gz DCDGHHIYHFPMAH-KTKRTIGZSA-N 0 0 189.258 2.051 10 0 AEAERN Cc1cccc([C@H](NN)C2CCC2)c1 167036623 344295839 /nfs/dbraw/zinc/29/58/39/344295839.db2.gz HUHUPTWIXZGRGY-GFCCVEGCSA-N 0 0 190.290 2.300 10 0 AEAERN CN1C=CC=C(c2ccccc2)CC1=O 167037808 344295893 /nfs/dbraw/zinc/29/58/93/344295893.db2.gz KHQJQWHPTZKBLM-UHFFFAOYSA-N 0 0 199.253 2.446 10 0 AEAERN CN1C=C(c2ccccc2)C=CCC1=O 167036997 344295917 /nfs/dbraw/zinc/29/59/17/344295917.db2.gz NLCYWLZRIQEFDB-UHFFFAOYSA-N 0 0 199.253 2.446 10 0 AEAERN Cc1cccc([C@@H](NN)C2CCC2)c1 167036747 344295993 /nfs/dbraw/zinc/29/59/93/344295993.db2.gz HUHUPTWIXZGRGY-LBPRGKRZSA-N 0 0 190.290 2.300 10 0 AEAERN CC[C@H](NN)c1ccc(C)cc1C 167062877 344296364 /nfs/dbraw/zinc/29/63/64/344296364.db2.gz MDKPJYMYEXUMTH-NSHDSACASA-N 0 0 178.279 2.218 10 0 AEAERN CC[C@@H](NN)c1ccc(C)cc1C 167062985 344296499 /nfs/dbraw/zinc/29/64/99/344296499.db2.gz MDKPJYMYEXUMTH-LLVKDONJSA-N 0 0 178.279 2.218 10 0 AEAERN O=C(NCc1ccccc1)C1=CCC1 167061395 344296565 /nfs/dbraw/zinc/29/65/65/344296565.db2.gz ZQYUSXPODONVSC-UHFFFAOYSA-N 0 0 187.242 2.023 10 0 AEAERN O=CNc1ccccc1-n1cccc1 167064602 344296596 /nfs/dbraw/zinc/29/65/96/344296596.db2.gz MMJVKOAYXIDYRA-UHFFFAOYSA-N 0 0 186.214 2.046 10 0 AEAERN CC[C@H](NN)c1cc(C)ccc1C 167070147 344296728 /nfs/dbraw/zinc/29/67/28/344296728.db2.gz XWDUCSGLKOVRPT-NSHDSACASA-N 0 0 178.279 2.218 10 0 AEAERN CC[C@@H](NN)c1ccc(Cl)s1 167085416 344296802 /nfs/dbraw/zinc/29/68/02/344296802.db2.gz VVZSFZILGAYLAD-RXMQYKEDSA-N 0 0 190.699 2.316 10 0 AEAERN COc1cc(N)ccc1C1CC1 167071292 344297003 /nfs/dbraw/zinc/29/70/03/344297003.db2.gz WVKRRCJBTMWVPT-UHFFFAOYSA-N 0 0 163.220 2.155 10 0 AEAERN CC[C@H](NN)c1ccc(Cl)s1 167085306 344297043 /nfs/dbraw/zinc/29/70/43/344297043.db2.gz VVZSFZILGAYLAD-YFKPBYRVSA-N 0 0 190.699 2.316 10 0 AEAERN CC[C@@H](NN)c1cc(C)ccc1C 167070265 344297068 /nfs/dbraw/zinc/29/70/68/344297068.db2.gz XWDUCSGLKOVRPT-LLVKDONJSA-N 0 0 178.279 2.218 10 0 AEAERN C[C@H]1C[C@@H]1CNc1ncccc1F 167102918 344297167 /nfs/dbraw/zinc/29/71/67/344297167.db2.gz CYEYDZZWWQUCBB-JGVFFNPUSA-N 0 0 180.226 2.289 10 0 AEAERN Cc1cnc(C)c(NC[C@H]2C[C@H]2C)n1 167109366 344297209 /nfs/dbraw/zinc/29/72/09/344297209.db2.gz FOJCDSNNYDEMNW-GMSGAONNSA-N 0 0 191.278 2.161 10 0 AEAERN CO[C@@H](C)CNc1ccsc1 167107786 344297308 /nfs/dbraw/zinc/29/73/08/344297308.db2.gz OAAAPLMLDUZLTK-ZETCQYMHSA-N 0 0 171.265 2.195 10 0 AEAERN C[C@H]1C[C@H]1CNc1ncccc1F 167103091 344297495 /nfs/dbraw/zinc/29/74/95/344297495.db2.gz CYEYDZZWWQUCBB-YUMQZZPRSA-N 0 0 180.226 2.289 10 0 AEAERN Cc1cnc(C)c(NC[C@@H]2C[C@@H]2C)n1 167109056 344297377 /nfs/dbraw/zinc/29/73/77/344297377.db2.gz FOJCDSNNYDEMNW-XVKPBYJWSA-N 0 0 191.278 2.161 10 0 AEAERN CO[C@H](C)CNc1ccsc1 167107888 344297441 /nfs/dbraw/zinc/29/74/41/344297441.db2.gz OAAAPLMLDUZLTK-SSDOTTSWSA-N 0 0 171.265 2.195 10 0 AEAERN C[C@@H]1C[C@@H]1CNc1ncccc1F 167102830 344297486 /nfs/dbraw/zinc/29/74/86/344297486.db2.gz CYEYDZZWWQUCBB-HTQZYQBOSA-N 0 0 180.226 2.289 10 0 AEAERN Cc1cnc(C)c(NC[C@H]2C[C@@H]2C)n1 167109164 344297514 /nfs/dbraw/zinc/29/75/14/344297514.db2.gz FOJCDSNNYDEMNW-OIBJUYFYSA-N 0 0 191.278 2.161 10 0 AEAERN Cc1ccc2oc([C@@H](C)NN)cc2c1 167122479 344297718 /nfs/dbraw/zinc/29/77/18/344297718.db2.gz RLLZZGODYHGCJE-MRVPVSSYSA-N 0 0 190.246 2.266 10 0 AEAERN CC[C@@H](NN)c1cc2ccccc2o1 167117052 344297763 /nfs/dbraw/zinc/29/77/63/344297763.db2.gz HFFHIBHGZPLVIF-SECBINFHSA-N 0 0 190.246 2.347 10 0 AEAERN O=C(CC1CCC1)N1CCCCC1 167125762 344297765 /nfs/dbraw/zinc/29/77/65/344297765.db2.gz BWTLPIVILUEGRI-UHFFFAOYSA-N 0 0 181.279 2.189 10 0 AEAERN C[C@@H](NN)c1cccc2ccsc12 167127803 344297799 /nfs/dbraw/zinc/29/77/99/344297799.db2.gz NDVHRSGAFCWDFY-SSDOTTSWSA-N 0 0 192.287 2.426 10 0 AEAERN C[C@H](NN)c1cccc2ccsc12 167127704 344297899 /nfs/dbraw/zinc/29/78/99/344297899.db2.gz NDVHRSGAFCWDFY-ZETCQYMHSA-N 0 0 192.287 2.426 10 0 AEAERN CC[C@H](NN)c1cc2ccccc2o1 167116944 344297922 /nfs/dbraw/zinc/29/79/22/344297922.db2.gz HFFHIBHGZPLVIF-VIFPVBQESA-N 0 0 190.246 2.347 10 0 AEAERN C[C@@H](NN)c1ccc(Cl)cc1F 167152314 344298626 /nfs/dbraw/zinc/29/86/26/344298626.db2.gz ITDZFTGLBGVVLV-RXMQYKEDSA-N 0 0 188.633 2.003 10 0 AEAERN Cc1ccncc1[C@]1(C)CC[C@@H](O)C1 167154097 344298698 /nfs/dbraw/zinc/29/86/98/344298698.db2.gz YPIPWNKMIUKPQS-ZYHUDNBSSA-N 0 0 191.274 2.193 10 0 AEAERN Cc1ccncc1[C@@]1(C)CC[C@H](O)C1 167153998 344298866 /nfs/dbraw/zinc/29/88/66/344298866.db2.gz YPIPWNKMIUKPQS-JQWIXIFHSA-N 0 0 191.274 2.193 10 0 AEAERN C[C@H](NN)c1ccc(Cl)cc1F 167152203 344298913 /nfs/dbraw/zinc/29/89/13/344298913.db2.gz ITDZFTGLBGVVLV-YFKPBYRVSA-N 0 0 188.633 2.003 10 0 AEAERN Cc1ccncc1[C@]1(C)CC[C@H](O)C1 167153893 344298934 /nfs/dbraw/zinc/29/89/34/344298934.db2.gz YPIPWNKMIUKPQS-CMPLNLGQSA-N 0 0 191.274 2.193 10 0 AEAERN Cc1ccncc1[C@@]1(C)CC[C@@H](O)C1 167154215 344298964 /nfs/dbraw/zinc/29/89/64/344298964.db2.gz YPIPWNKMIUKPQS-PWSUYJOCSA-N 0 0 191.274 2.193 10 0 AEAERN C[C@]1(c2ccco2)CC[C@@H](O)C1 167163581 344299023 /nfs/dbraw/zinc/29/90/23/344299023.db2.gz VUHITJKPLWMYQK-SCZZXKLOSA-N 0 0 166.220 2.082 10 0 AEAERN C[C@]1(c2ccco2)CC[C@H](O)C1 167163388 344299028 /nfs/dbraw/zinc/29/90/28/344299028.db2.gz VUHITJKPLWMYQK-WPRPVWTQSA-N 0 0 166.220 2.082 10 0 AEAERN C[C@H](NN)c1ccc(C2CCC2)cc1 167162737 344299156 /nfs/dbraw/zinc/29/91/56/344299156.db2.gz HEZOJQYQDPCVTR-VIFPVBQESA-N 0 0 190.290 2.478 10 0 AEAERN Cc1ccc([C@@H](NN)C2CC2)cc1F 167179401 344299168 /nfs/dbraw/zinc/29/91/68/344299168.db2.gz XCQFDRJZOQCESB-NSHDSACASA-N 0 0 194.253 2.049 10 0 AEAERN C[C@]1(c2ccoc2)CC[C@H](O)C1 167172570 344299177 /nfs/dbraw/zinc/29/91/77/344299177.db2.gz UVLZFGVCQMUCQT-UWVGGRQHSA-N 0 0 166.220 2.082 10 0 AEAERN C[C@@]1(c2ccoc2)CC[C@H](O)C1 167172661 344299182 /nfs/dbraw/zinc/29/91/82/344299182.db2.gz UVLZFGVCQMUCQT-VHSXEESVSA-N 0 0 166.220 2.082 10 0 AEAERN C[C@]1(c2ccoc2)CC[C@@H](O)C1 167172770 344299262 /nfs/dbraw/zinc/29/92/62/344299262.db2.gz UVLZFGVCQMUCQT-ZJUUUORDSA-N 0 0 166.220 2.082 10 0 AEAERN C[C@@]1(c2ccoc2)CC[C@@H](O)C1 167172883 344299266 /nfs/dbraw/zinc/29/92/66/344299266.db2.gz UVLZFGVCQMUCQT-NXEZZACHSA-N 0 0 166.220 2.082 10 0 AEAERN Cc1ccc([C@H](NN)C2CC2)cc1F 167179296 344299309 /nfs/dbraw/zinc/29/93/09/344299309.db2.gz XCQFDRJZOQCESB-LLVKDONJSA-N 0 0 194.253 2.049 10 0 AEAERN C[C@@]1(c2ccco2)CC[C@@H](O)C1 167163691 344299385 /nfs/dbraw/zinc/29/93/85/344299385.db2.gz VUHITJKPLWMYQK-PSASIEDQSA-N 0 0 166.220 2.082 10 0 AEAERN C[C@@H](NN)c1ccc(C2CCC2)cc1 167162844 344299392 /nfs/dbraw/zinc/29/93/92/344299392.db2.gz HEZOJQYQDPCVTR-SECBINFHSA-N 0 0 190.290 2.478 10 0 AEAERN C[C@@]1(c2ccco2)CC[C@H](O)C1 167163481 344299419 /nfs/dbraw/zinc/29/94/19/344299419.db2.gz VUHITJKPLWMYQK-WCBMZHEXSA-N 0 0 166.220 2.082 10 0 AEAERN CC(C)(C)[C@H](O)[C@@H]1CC1(C)C 167189134 344299584 /nfs/dbraw/zinc/29/95/84/344299584.db2.gz NADPOGLQDLYYRI-JGVFFNPUSA-N 0 0 156.269 2.440 10 0 AEAERN COc1cc(F)c(F)c(F)c1C 167196348 344299636 /nfs/dbraw/zinc/29/96/36/344299636.db2.gz KPOPUWMWSHQHHE-UHFFFAOYSA-N 0 0 176.137 2.421 10 0 AEAERN Cc1ccc([C@H](NN)C(C)C)cc1F 167190151 344299638 /nfs/dbraw/zinc/29/96/38/344299638.db2.gz FQNXLUGEXALZAL-LLVKDONJSA-N 0 0 196.269 2.295 10 0 AEAERN CC(C)(C)[C@@H](O)[C@H]1CC1(C)C 167189232 344299701 /nfs/dbraw/zinc/29/97/01/344299701.db2.gz NADPOGLQDLYYRI-SFYZADRCSA-N 0 0 156.269 2.440 10 0 AEAERN C[C@@]1(Cc2ccncc2)CC[C@H](O)C1 167200658 344299764 /nfs/dbraw/zinc/29/97/64/344299764.db2.gz UWEDSBAPWUUYLA-RYUDHWBXSA-N 0 0 191.274 2.175 10 0 AEAERN C[C@]1(Cc2ccncc2)CC[C@H](O)C1 167200573 344299798 /nfs/dbraw/zinc/29/97/98/344299798.db2.gz UWEDSBAPWUUYLA-NWDGAFQWSA-N 0 0 191.274 2.175 10 0 AEAERN CC1(C)C[C@@H]1[C@@H](O)C(C)(C)C 167189338 344299854 /nfs/dbraw/zinc/29/98/54/344299854.db2.gz NADPOGLQDLYYRI-HTQZYQBOSA-N 0 0 156.269 2.440 10 0 AEAERN C[C@]1(Cc2ccncc2)CC[C@@H](O)C1 167200766 344299884 /nfs/dbraw/zinc/29/98/84/344299884.db2.gz UWEDSBAPWUUYLA-VXGBXAGGSA-N 0 0 191.274 2.175 10 0 AEAERN CC(C)(C)[C@@H](O)[C@@H]1CC1(C)C 167189018 344299893 /nfs/dbraw/zinc/29/98/93/344299893.db2.gz NADPOGLQDLYYRI-YUMQZZPRSA-N 0 0 156.269 2.440 10 0 AEAERN Cc1ccc([C@@H](NN)C(C)C)cc1F 167190226 344299924 /nfs/dbraw/zinc/29/99/24/344299924.db2.gz FQNXLUGEXALZAL-NSHDSACASA-N 0 0 196.269 2.295 10 0 AEAERN C[C@@]1(Cc2ccncc2)CC[C@@H](O)C1 167200866 344299939 /nfs/dbraw/zinc/29/99/39/344299939.db2.gz UWEDSBAPWUUYLA-NEPJUHHUSA-N 0 0 191.274 2.175 10 0 AEAERN Cc1cn(C[C@@H]2C[C@@H]2C)c(=S)[nH]1 167213444 344300210 /nfs/dbraw/zinc/30/02/10/344300210.db2.gz JUTUQOGCGHBOJU-XPUUQOCRSA-N 0 0 182.292 2.136 10 0 AEAERN C[C@@H]1C[C@@H]1CNc1cccc(F)n1 167224344 344300261 /nfs/dbraw/zinc/30/02/61/344300261.db2.gz JGEVPKPSNUYEKQ-HTQZYQBOSA-N 0 0 180.226 2.289 10 0 AEAERN CCc1c[nH]c(=S)n1C[C@@H]1C[C@@H]1C 167213004 344300267 /nfs/dbraw/zinc/30/02/67/344300267.db2.gz RDKFVOIEYGFHFG-YUMQZZPRSA-N 0 0 196.319 2.390 10 0 AEAERN Cc1cn(C[C@@H]2C[C@H]2C)c(=S)[nH]1 167213653 344300286 /nfs/dbraw/zinc/30/02/86/344300286.db2.gz JUTUQOGCGHBOJU-SVRRBLITSA-N 0 0 182.292 2.136 10 0 AEAERN CCc1c[nH]c(=S)n1C[C@@H]1C[C@H]1C 167213225 344300293 /nfs/dbraw/zinc/30/02/93/344300293.db2.gz RDKFVOIEYGFHFG-SFYZADRCSA-N 0 0 196.319 2.390 10 0 AEAERN CCc1c[nH]c(=S)n1C[C@H]1C[C@@H]1C 167213109 344300319 /nfs/dbraw/zinc/30/03/19/344300319.db2.gz RDKFVOIEYGFHFG-JGVFFNPUSA-N 0 0 196.319 2.390 10 0 AEAERN C[C@@H]1C[C@H]1CNc1cccc(F)n1 167224559 344300322 /nfs/dbraw/zinc/30/03/22/344300322.db2.gz JGEVPKPSNUYEKQ-SFYZADRCSA-N 0 0 180.226 2.289 10 0 AEAERN C[C@@H]1C[C@H]1CNc1ccnc(F)c1 167219783 344300326 /nfs/dbraw/zinc/30/03/26/344300326.db2.gz UMBFDKUWEBKRJV-SFYZADRCSA-N 0 0 180.226 2.289 10 0 AEAERN CCc1c[nH]c(=S)n1C[C@H]1C[C@H]1C 167213335 344300352 /nfs/dbraw/zinc/30/03/52/344300352.db2.gz RDKFVOIEYGFHFG-HTQZYQBOSA-N 0 0 196.319 2.390 10 0 AEAERN C[C@@H]1C[C@@H]1CNc1ccnc(F)c1 167219558 344300363 /nfs/dbraw/zinc/30/03/63/344300363.db2.gz UMBFDKUWEBKRJV-HTQZYQBOSA-N 0 0 180.226 2.289 10 0 AEAERN Cc1cn(C[C@H]2C[C@H]2C)c(=S)[nH]1 167213743 344300373 /nfs/dbraw/zinc/30/03/73/344300373.db2.gz JUTUQOGCGHBOJU-HTRCEHHLSA-N 0 0 182.292 2.136 10 0 AEAERN C[C@H]1C[C@H]1CNc1ccnc(F)c1 167219892 344300380 /nfs/dbraw/zinc/30/03/80/344300380.db2.gz UMBFDKUWEBKRJV-YUMQZZPRSA-N 0 0 180.226 2.289 10 0 AEAERN Cc1c[nH]c(=S)n1C[C@@H]1C[C@@H]1C 167212171 344300384 /nfs/dbraw/zinc/30/03/84/344300384.db2.gz QIKHWIVKFQAFEO-XPUUQOCRSA-N 0 0 182.292 2.136 10 0 AEAERN Cc1c[nH]c(=S)n1C[C@@H]1C[C@H]1C 167212357 344300425 /nfs/dbraw/zinc/30/04/25/344300425.db2.gz QIKHWIVKFQAFEO-SVRRBLITSA-N 0 0 182.292 2.136 10 0 AEAERN NN[C@@H](c1ccco1)C1CCCCC1 167207182 344300451 /nfs/dbraw/zinc/30/04/51/344300451.db2.gz IXJIICWTHGPWAU-LLVKDONJSA-N 0 0 194.278 2.364 10 0 AEAERN C[C@@H]1C[C@H]1CNc1cc(Cl)ncn1 167233637 344300903 /nfs/dbraw/zinc/30/09/03/344300903.db2.gz CRKGWFRYCLXMQM-RQJHMYQMSA-N 0 0 197.669 2.198 10 0 AEAERN Cc1ccc([C@]2(C)CC[C@@H](O)C2)cn1 167239985 344300765 /nfs/dbraw/zinc/30/07/65/344300765.db2.gz GSPJRYAAEDYPLD-VXGBXAGGSA-N 0 0 191.274 2.193 10 0 AEAERN C[C@H]1C[C@@H]1CNc1cncc(Cl)n1 167231461 344300772 /nfs/dbraw/zinc/30/07/72/344300772.db2.gz IVBNXAIOFUCMCM-NKWVEPMBSA-N 0 0 197.669 2.198 10 0 AEAERN C[C@@H]1C[C@H]1CNc1cncc(Cl)n1 167231557 344300791 /nfs/dbraw/zinc/30/07/91/344300791.db2.gz IVBNXAIOFUCMCM-RQJHMYQMSA-N 0 0 197.669 2.198 10 0 AEAERN C[C@@H]1C[C@@H]1CNc1cc(Cl)ncn1 167233433 344300831 /nfs/dbraw/zinc/30/08/31/344300831.db2.gz CRKGWFRYCLXMQM-RNFRBKRXSA-N 0 0 197.669 2.198 10 0 AEAERN C[C@H]1C[C@@H]1CNc1cc(Cl)ncn1 167233533 344300843 /nfs/dbraw/zinc/30/08/43/344300843.db2.gz CRKGWFRYCLXMQM-NKWVEPMBSA-N 0 0 197.669 2.198 10 0 AEAERN C[C@H]1C[C@H]1CNc1cc(Cl)ncn1 167233751 344300875 /nfs/dbraw/zinc/30/08/75/344300875.db2.gz CRKGWFRYCLXMQM-BQBZGAKWSA-N 0 0 197.669 2.198 10 0 AEAERN Cc1ccc([C@@]2(C)CC[C@H](O)C2)cn1 167239893 344300891 /nfs/dbraw/zinc/30/08/91/344300891.db2.gz GSPJRYAAEDYPLD-RYUDHWBXSA-N 0 0 191.274 2.193 10 0 AEAERN Cc1ccc([C@@]2(C)CC[C@@H](O)C2)cn1 167240089 344300895 /nfs/dbraw/zinc/30/08/95/344300895.db2.gz GSPJRYAAEDYPLD-NEPJUHHUSA-N 0 0 191.274 2.193 10 0 AEAERN Cc1ccc([C@]2(C)CC[C@H](O)C2)cn1 167239769 344300943 /nfs/dbraw/zinc/30/09/43/344300943.db2.gz GSPJRYAAEDYPLD-NWDGAFQWSA-N 0 0 191.274 2.193 10 0 AEAERN C[C@H]1C[C@H]1CNc1cncc(Cl)n1 167231670 344300948 /nfs/dbraw/zinc/30/09/48/344300948.db2.gz IVBNXAIOFUCMCM-BQBZGAKWSA-N 0 0 197.669 2.198 10 0 AEAERN C[C@@H]1C[C@@H]1CNc1cncc(Cl)n1 167231352 344300958 /nfs/dbraw/zinc/30/09/58/344300958.db2.gz IVBNXAIOFUCMCM-RNFRBKRXSA-N 0 0 197.669 2.198 10 0 AEAERN NN[C@@H](c1ccoc1)C1CCCCC1 167247536 344301114 /nfs/dbraw/zinc/30/11/14/344301114.db2.gz OZVSLSPKLBGUDR-LLVKDONJSA-N 0 0 194.278 2.364 10 0 AEAERN CO[C@H](C)C[C@@H]1C[C@H](C)CCC1=O 167254457 344301124 /nfs/dbraw/zinc/30/11/24/344301124.db2.gz KEEFODKRIOJJMI-BBBLOLIVSA-N 0 0 184.279 2.417 10 0 AEAERN NN[C@H](c1ccoc1)C1CCCCC1 167247628 344301262 /nfs/dbraw/zinc/30/12/62/344301262.db2.gz OZVSLSPKLBGUDR-NSHDSACASA-N 0 0 194.278 2.364 10 0 AEAERN CO[C@H](C)C[C@H]1C[C@@H](C)CCC1=O 167254764 344301270 /nfs/dbraw/zinc/30/12/70/344301270.db2.gz KEEFODKRIOJJMI-IVZWLZJFSA-N 0 0 184.279 2.417 10 0 AEAERN NN[C@H](C1CCCCC1)C1CCC1 167247817 344301371 /nfs/dbraw/zinc/30/13/71/344301371.db2.gz SEIBUSHNQIRGFE-LLVKDONJSA-N 0 0 182.311 2.199 10 0 AEAERN CO[C@H](C)C[C@@H]1C[C@@H](C)CCC1=O 167254557 344301381 /nfs/dbraw/zinc/30/13/81/344301381.db2.gz KEEFODKRIOJJMI-AEJSXWLSSA-N 0 0 184.279 2.417 10 0 AEAERN CO[C@H](C)C[C@H]1C[C@H](C)CCC1=O 167254654 344301558 /nfs/dbraw/zinc/30/15/58/344301558.db2.gz KEEFODKRIOJJMI-OPRDCNLKSA-N 0 0 184.279 2.417 10 0 AEAERN NN[C@@H](C1CCCCC1)C1CCC1 167247746 344301561 /nfs/dbraw/zinc/30/15/61/344301561.db2.gz SEIBUSHNQIRGFE-NSHDSACASA-N 0 0 182.311 2.199 10 0 AEAERN C=C(c1c[nH]cn1)c1ccnc(C)c1C 167289432 344301607 /nfs/dbraw/zinc/30/16/07/344301607.db2.gz ADSLOVBWRDSTCU-UHFFFAOYSA-N 0 0 199.257 2.483 10 0 AEAERN CNc1ncc([C@H]2C[C@@H]2C)s1 167287827 344301611 /nfs/dbraw/zinc/30/16/11/344301611.db2.gz UCSUXHKWUGDVED-WDSKDSINSA-N 0 0 168.265 2.308 10 0 AEAERN CNc1ncc([C@@H]2C[C@H]2C)s1 167287936 344301633 /nfs/dbraw/zinc/30/16/33/344301633.db2.gz UCSUXHKWUGDVED-PHDIDXHHSA-N 0 0 168.265 2.308 10 0 AEAERN CNc1ncc([C@H]2C[C@H]2C)s1 167287763 344301880 /nfs/dbraw/zinc/30/18/80/344301880.db2.gz UCSUXHKWUGDVED-RITPCOANSA-N 0 0 168.265 2.308 10 0 AEAERN CNc1ncc([C@@H]2C[C@@H]2C)s1 167288037 344301954 /nfs/dbraw/zinc/30/19/54/344301954.db2.gz UCSUXHKWUGDVED-NTSWFWBYSA-N 0 0 168.265 2.308 10 0 AEAERN CCc1nnc(Cl)n1C[C@H]1C[C@@H]1C 167302687 344302196 /nfs/dbraw/zinc/30/21/96/344302196.db2.gz LIOLXTTZIAYYSD-NKWVEPMBSA-N 0 0 199.685 2.150 10 0 AEAERN NNc1cccc(C2CCC2)c1 167316886 344302240 /nfs/dbraw/zinc/30/22/40/344302240.db2.gz RRQUCFDMEQQOPO-UHFFFAOYSA-N 0 0 162.236 2.240 10 0 AEAERN CCc1nnc(Cl)n1C[C@@H]1C[C@@H]1C 167302579 344302302 /nfs/dbraw/zinc/30/23/02/344302302.db2.gz LIOLXTTZIAYYSD-BQBZGAKWSA-N 0 0 199.685 2.150 10 0 AEAERN NNc1ccccc1C1CCC1 167317008 344302392 /nfs/dbraw/zinc/30/23/92/344302392.db2.gz AYLRFCNQVLUBBL-UHFFFAOYSA-N 0 0 162.236 2.240 10 0 AEAERN CCc1nnc(Cl)n1C[C@H]1C[C@H]1C 167302889 344302546 /nfs/dbraw/zinc/30/25/46/344302546.db2.gz LIOLXTTZIAYYSD-RNFRBKRXSA-N 0 0 199.685 2.150 10 0 AEAERN CCc1nnc(Cl)n1C[C@@H]1C[C@H]1C 167302788 344302640 /nfs/dbraw/zinc/30/26/40/344302640.db2.gz LIOLXTTZIAYYSD-RQJHMYQMSA-N 0 0 199.685 2.150 10 0 AEAERN Cc1ccc(F)cc1[C@H](NN)C1CC1 167346891 344302819 /nfs/dbraw/zinc/30/28/19/344302819.db2.gz VTAGREFALHPUAW-LLVKDONJSA-N 0 0 194.253 2.049 10 0 AEAERN Cc1ccc(F)cc1[C@@H](NN)C1CC1 167346999 344302919 /nfs/dbraw/zinc/30/29/19/344302919.db2.gz VTAGREFALHPUAW-NSHDSACASA-N 0 0 194.253 2.049 10 0 AEAERN Cc1cc([C@H](NN)C2CC2)ccc1F 167347780 344302932 /nfs/dbraw/zinc/30/29/32/344302932.db2.gz NGMNWMGQNCLLBX-LLVKDONJSA-N 0 0 194.253 2.049 10 0 AEAERN C[C@]1(O)CCCC12CCCC2 167345369 344302952 /nfs/dbraw/zinc/30/29/52/344302952.db2.gz ICWHEKMJYXXBCY-VIFPVBQESA-N 0 0 154.253 2.482 10 0 AEAERN Cc1ccc(F)c([C@@H](NN)C2CC2)c1 167348124 344302976 /nfs/dbraw/zinc/30/29/76/344302976.db2.gz SEAJZHJDVCGNOP-NSHDSACASA-N 0 0 194.253 2.049 10 0 AEAERN C[C@@]1(O)CCCC12CCCC2 167345246 344303004 /nfs/dbraw/zinc/30/30/04/344303004.db2.gz ICWHEKMJYXXBCY-SECBINFHSA-N 0 0 154.253 2.482 10 0 AEAERN CCOc1cc(F)cc(F)c1C=O 167347557 344303007 /nfs/dbraw/zinc/30/30/07/344303007.db2.gz WANRKOKRBNLIIY-UHFFFAOYSA-N 0 0 186.157 2.176 10 0 AEAERN Cc1ccc(F)c([C@H](NN)C2CC2)c1 167348012 344303011 /nfs/dbraw/zinc/30/30/11/344303011.db2.gz SEAJZHJDVCGNOP-LLVKDONJSA-N 0 0 194.253 2.049 10 0 AEAERN Cc1cc([C@@H](NN)C2CC2)ccc1F 167347897 344303038 /nfs/dbraw/zinc/30/30/38/344303038.db2.gz NGMNWMGQNCLLBX-NSHDSACASA-N 0 0 194.253 2.049 10 0 AEAERN Cc1ccc([C@H](NN)C2CC2)c(C)c1 167359291 344303418 /nfs/dbraw/zinc/30/34/18/344303418.db2.gz AZZUSCDNABTGJN-GFCCVEGCSA-N 0 0 190.290 2.218 10 0 AEAERN Cc1ccc([C@@H](NN)C2CC2)c(C)c1 167359408 344303517 /nfs/dbraw/zinc/30/35/17/344303517.db2.gz AZZUSCDNABTGJN-LBPRGKRZSA-N 0 0 190.290 2.218 10 0 AEAERN NN[C@@H](C1CCCCCC1)C1CC1 167365672 344303531 /nfs/dbraw/zinc/30/35/31/344303531.db2.gz WRDRWJIWSQERDB-NSHDSACASA-N 0 0 182.311 2.199 10 0 AEAERN NN[C@H](C1CCCCCC1)C1CC1 167365769 344303580 /nfs/dbraw/zinc/30/35/80/344303580.db2.gz WRDRWJIWSQERDB-LLVKDONJSA-N 0 0 182.311 2.199 10 0 AEAERN COc1cc(F)c(C)c(OC)c1 167379007 344303823 /nfs/dbraw/zinc/30/38/23/344303823.db2.gz ZYVIESMWPIWIDY-UHFFFAOYSA-N 0 0 170.183 2.151 10 0 AEAERN CC1CCC([C@H](NN)C2CC2)CC1 167383074 344303944 /nfs/dbraw/zinc/30/39/44/344303944.db2.gz MLRJAYOYEYBQBB-AMUVOQDHSA-N 0 0 182.311 2.055 10 0 AEAERN CC1CCC([C@@H](NN)C2CC2)CC1 167383192 344303967 /nfs/dbraw/zinc/30/39/67/344303967.db2.gz MLRJAYOYEYBQBB-NWGYLPEXSA-N 0 0 182.311 2.055 10 0 AEAERN C[C@H]1CC([C@H](NN)C2CC2)C[C@H](C)C1 167396246 344304405 /nfs/dbraw/zinc/30/44/05/344304405.db2.gz UUZAZNBXXYBVRS-KBVBSXBZSA-N 0 0 196.338 2.301 10 0 AEAERN Cc1cc(C)cc([C@H](NN)C2CC2)c1 167403917 344304413 /nfs/dbraw/zinc/30/44/13/344304413.db2.gz SERIQCDUNQHZCY-GFCCVEGCSA-N 0 0 190.290 2.218 10 0 AEAERN Cc1cc(C)cc([C@@H](NN)C2CC2)c1 167404033 344304486 /nfs/dbraw/zinc/30/44/86/344304486.db2.gz SERIQCDUNQHZCY-LBPRGKRZSA-N 0 0 190.290 2.218 10 0 AEAERN CCC(O)(CC)C1=CCCCO1 167430818 344304902 /nfs/dbraw/zinc/30/49/02/344304902.db2.gz WONGEDIIBQWZIV-UHFFFAOYSA-N 0 0 170.252 2.232 10 0 AEAERN CC[C@@H](C)[C@](C)(O)C1=CCCCO1 167432104 344304904 /nfs/dbraw/zinc/30/49/04/344304904.db2.gz HHHPUMQIRWNPAH-KOLCDFICSA-N 0 0 184.279 2.478 10 0 AEAERN Clc1ccc(COC2CCC2)nn1 167431699 344304907 /nfs/dbraw/zinc/30/49/07/344304907.db2.gz BJHHUXSSOYNSBU-UHFFFAOYSA-N 0 0 198.653 2.199 10 0 AEAERN CC[C@@H](C)[C@@](C)(O)C1=CCCCO1 167432314 344304968 /nfs/dbraw/zinc/30/49/68/344304968.db2.gz HHHPUMQIRWNPAH-MWLCHTKSSA-N 0 0 184.279 2.478 10 0 AEAERN CC(C)OCc1ccc(Cl)nn1 167427769 344305018 /nfs/dbraw/zinc/30/50/18/344305018.db2.gz MMQDXUFZPPRVCR-UHFFFAOYSA-N 0 0 186.642 2.055 10 0 AEAERN CC(C)(C)[C@@H](NN)C1CCCC1 167454311 344305289 /nfs/dbraw/zinc/30/52/89/344305289.db2.gz PNHZMVNKEFEHOL-VIFPVBQESA-N 0 0 170.300 2.055 10 0 AEAERN O[C@H](C1=CCCCO1)c1ccco1 167437789 344305308 /nfs/dbraw/zinc/30/53/08/344305308.db2.gz MMYMBHZCEURXKY-SNVBAGLBSA-N 0 0 180.203 2.007 10 0 AEAERN Fc1cc(-c2cscn2)ccn1 167453635 344305319 /nfs/dbraw/zinc/30/53/19/344305319.db2.gz RIIPOGPFQBPECM-UHFFFAOYSA-N 0 0 180.207 2.344 10 0 AEAERN Nc1cc(-c2ccccn2)ccc1F 167443424 344305466 /nfs/dbraw/zinc/30/54/66/344305466.db2.gz CUJZQKIXLZPOIA-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN O[C@@H](C1=CCCCO1)c1ccco1 167437874 344305502 /nfs/dbraw/zinc/30/55/02/344305502.db2.gz MMYMBHZCEURXKY-JTQLQIEISA-N 0 0 180.203 2.007 10 0 AEAERN CC(C)(C)[C@H](NN)C1CCCC1 167454207 344305505 /nfs/dbraw/zinc/30/55/05/344305505.db2.gz PNHZMVNKEFEHOL-SECBINFHSA-N 0 0 170.300 2.055 10 0 AEAERN CCSCc1ccc(Cl)nn1 167436213 344305517 /nfs/dbraw/zinc/30/55/17/344305517.db2.gz LWKROTHGUDGZIE-UHFFFAOYSA-N 0 0 188.683 2.383 10 0 AEAERN Cc1ccc([C@H](O)C2=CCCCO2)o1 167436872 344305532 /nfs/dbraw/zinc/30/55/32/344305532.db2.gz MXXZKZVPHHGOBO-LLVKDONJSA-N 0 0 194.230 2.316 10 0 AEAERN Cc1ccc([C@@H](O)C2=CCCCO2)o1 167436978 344305537 /nfs/dbraw/zinc/30/55/37/344305537.db2.gz MXXZKZVPHHGOBO-NSHDSACASA-N 0 0 194.230 2.316 10 0 AEAERN C[C@H]1CCC[C@@]1(O)C1=CCCCO1 167463538 344305719 /nfs/dbraw/zinc/30/57/19/344305719.db2.gz AQXMKJOEHHAFRP-ONGXEEELSA-N 0 0 182.263 2.232 10 0 AEAERN CC(C)(C)C[C@@H](O)C1=CCCCO1 167454666 344305811 /nfs/dbraw/zinc/30/58/11/344305811.db2.gz PGINYKNNDNAAPC-SECBINFHSA-N 0 0 184.279 2.478 10 0 AEAERN C[C@H]1CCC[C@]1(O)C1=CCCCO1 167463356 344305902 /nfs/dbraw/zinc/30/59/02/344305902.db2.gz AQXMKJOEHHAFRP-GXSJLCMTSA-N 0 0 182.263 2.232 10 0 AEAERN CC(C)(C)[C@@H](NN)c1ccccc1F 167465289 344305912 /nfs/dbraw/zinc/30/59/12/344305912.db2.gz IWRSTTPMUFWAMH-JTQLQIEISA-N 0 0 196.269 2.376 10 0 AEAERN Nc1cccc2c(C=O)cccc12 167458745 344305928 /nfs/dbraw/zinc/30/59/28/344305928.db2.gz QAFJNNLSCDBGSA-UHFFFAOYSA-N 0 0 171.199 2.235 10 0 AEAERN C[C@@H]1CCC[C@@]1(O)C1=CCCCO1 167463452 344305980 /nfs/dbraw/zinc/30/59/80/344305980.db2.gz AQXMKJOEHHAFRP-KOLCDFICSA-N 0 0 182.263 2.232 10 0 AEAERN CC(C)(C)C[C@H](O)C1=CCCCO1 167454556 344306014 /nfs/dbraw/zinc/30/60/14/344306014.db2.gz PGINYKNNDNAAPC-VIFPVBQESA-N 0 0 184.279 2.478 10 0 AEAERN CC(C)(C)[C@H](NN)c1ccccc1F 167465188 344306024 /nfs/dbraw/zinc/30/60/24/344306024.db2.gz IWRSTTPMUFWAMH-SNVBAGLBSA-N 0 0 196.269 2.376 10 0 AEAERN CC1([C@@](C)(O)C2=CCCCO2)CC1 167473148 344306220 /nfs/dbraw/zinc/30/62/20/344306220.db2.gz GGCUQGLWFOJQIK-NSHDSACASA-N 0 0 182.263 2.232 10 0 AEAERN CC1([C@](C)(O)C2=CCCCO2)CC1 167473043 344306390 /nfs/dbraw/zinc/30/63/90/344306390.db2.gz GGCUQGLWFOJQIK-LLVKDONJSA-N 0 0 182.263 2.232 10 0 AEAERN CO[C@@H]1C[C@@H](C)c2ccccc2[C@H]1O 167512154 344307127 /nfs/dbraw/zinc/30/71/27/344307127.db2.gz OIGHDZAUWXLZPJ-GGZOMVNGSA-N 0 0 192.258 2.242 10 0 AEAERN CO[C@@H]1C[C@H](C)c2ccccc2[C@H]1O 167512267 344307247 /nfs/dbraw/zinc/30/72/47/344307247.db2.gz OIGHDZAUWXLZPJ-XXILOJSOSA-N 0 0 192.258 2.242 10 0 AEAERN C[S@@](=O)Cc1cccc(Cl)c1 167543060 344307748 /nfs/dbraw/zinc/30/77/48/344307748.db2.gz LIEXGTKLUOYLRX-NSHDSACASA-N 0 0 188.679 2.219 10 0 AEAERN C[S@](=O)Cc1cccc(Cl)c1 167543136 344307884 /nfs/dbraw/zinc/30/78/84/344307884.db2.gz LIEXGTKLUOYLRX-LLVKDONJSA-N 0 0 188.679 2.219 10 0 AEAERN CO[C@H](C)C[C@@H]1Cc2ccccc2N1 167591357 344308591 /nfs/dbraw/zinc/30/85/91/344308591.db2.gz LMNRVORZWGOLAP-MWLCHTKSSA-N 0 0 191.274 2.448 10 0 AEAERN CO[C@@H](C)C[C@H]1Cc2ccccc2N1 167591463 344308604 /nfs/dbraw/zinc/30/86/04/344308604.db2.gz LMNRVORZWGOLAP-ONGXEEELSA-N 0 0 191.274 2.448 10 0 AEAERN CO[C@@H](C)C[C@@H]1Cc2ccccc2N1 167591249 344308660 /nfs/dbraw/zinc/30/86/60/344308660.db2.gz LMNRVORZWGOLAP-GXSJLCMTSA-N 0 0 191.274 2.448 10 0 AEAERN CCCC/C=C/CN1CCOCC1 167580807 344308710 /nfs/dbraw/zinc/30/87/10/344308710.db2.gz NXJFRWLHNMULHT-AATRIKPKSA-N 0 0 183.295 2.065 10 0 AEAERN CC(C)Oc1cccc(F)c1C=O 167592173 344308801 /nfs/dbraw/zinc/30/88/01/344308801.db2.gz YGOUXDFRAGLTTF-UHFFFAOYSA-N 0 0 182.194 2.425 10 0 AEAERN C=Cc1ccccc1COC=O 167624757 344309625 /nfs/dbraw/zinc/30/96/25/344309625.db2.gz MCWSTRPRDKZRFC-UHFFFAOYSA-N 0 0 162.188 2.003 10 0 AEAERN COc1ccc(/C=C\CCO)cc1 167630986 344309660 /nfs/dbraw/zinc/30/96/60/344309660.db2.gz BQCMDQKZMWOYJV-RQOWECAXSA-N 0 0 178.231 2.091 10 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192.400 2.482 10 0 AEAERN CC(C)[S@](=O)CC[Si](C)(C)C 212942651 344380793 /nfs/dbraw/zinc/38/07/93/344380793.db2.gz GXPBJODXUBMXJK-SNVBAGLBSA-N 0 0 192.400 2.482 10 0 AEAERN CCC[S@@](=O)CC[Si](C)(C)C 212942393 344380926 /nfs/dbraw/zinc/38/09/26/344380926.db2.gz QBGBMYCJFXJJCG-SNVBAGLBSA-N 0 0 192.400 2.483 10 0 AEAERN Fc1cccc2c1N1CCC[C@@H]1CN2 213164436 344380954 /nfs/dbraw/zinc/38/09/54/344380954.db2.gz DVOJTXHQRVDLBH-MRVPVSSYSA-N 0 0 192.237 2.220 10 0 AEAERN CCC[S@](=O)CC[Si](C)(C)C 212942453 344380960 /nfs/dbraw/zinc/38/09/60/344380960.db2.gz QBGBMYCJFXJJCG-JTQLQIEISA-N 0 0 192.400 2.483 10 0 AEAERN C=CC(=O)OCc1cccc(F)c1 213589326 344381682 /nfs/dbraw/zinc/38/16/82/344381682.db2.gz RFWOWJSMEKPJKD-UHFFFAOYSA-N 0 0 180.178 2.055 10 0 AEAERN CCCCC/C(=C/C(=O)OC)OC 213860230 344381986 /nfs/dbraw/zinc/38/19/86/344381986.db2.gz YGFCQTNDJSSZOI-HJWRWDBZSA-N 0 0 186.251 2.270 10 0 AEAERN O=c1[nH]cc(Cl)c2ccc(F)cc12 214063248 344382069 /nfs/dbraw/zinc/38/20/69/344382069.db2.gz RHJLKJLYRPNFGT-UHFFFAOYSA-N 0 0 197.596 2.321 10 0 AEAERN CC(=O)c1cc2ncccc2o1 213808537 344382116 /nfs/dbraw/zinc/38/21/16/344382116.db2.gz VJGATJBAJMIAPR-UHFFFAOYSA-N 0 0 161.160 2.030 10 0 AEAERN COc1cc(C=O)c(C)cc1Cl 214392215 344382284 /nfs/dbraw/zinc/38/22/84/344382284.db2.gz VEFZLYYQEMCKRM-UHFFFAOYSA-N 0 0 184.622 2.470 10 0 AEAERN CC(=O)c1nc(C(F)F)cs1 214144728 344382331 /nfs/dbraw/zinc/38/23/31/344382331.db2.gz AWDMDFRORZEHMI-UHFFFAOYSA-N 0 0 177.175 2.283 10 0 AEAERN C/C=C\CCC(=O)C1CC1 214688890 344382804 /nfs/dbraw/zinc/38/28/04/344382804.db2.gz MHXTVNHJNFOZSN-IHWYPQMZSA-N 0 0 138.210 2.322 10 0 AEAERN COc1ccc(N)cc1-c1ccc[nH]1 214687267 344382717 /nfs/dbraw/zinc/38/27/17/344382717.db2.gz UEMKLOUVPDNZEW-UHFFFAOYSA-N 0 0 188.230 2.273 10 0 AEAERN CON[C@@H]1c2ccccc2CC1(C)C 214707866 344382752 /nfs/dbraw/zinc/38/27/52/344382752.db2.gz CEHDAWBGSAYHND-LLVKDONJSA-N 0 0 191.274 2.461 10 0 AEAERN Nc1cc(-c2ccc[nH]2)ccc1F 214752809 344382832 /nfs/dbraw/zinc/38/28/32/344382832.db2.gz GOECVVYWGPEADW-UHFFFAOYSA-N 0 0 176.194 2.403 10 0 AEAERN Nc1ccc(-c2ccc[nH]2)cc1F 214708072 344382841 /nfs/dbraw/zinc/38/28/41/344382841.db2.gz DGPGRGOIYXILHU-UHFFFAOYSA-N 0 0 176.194 2.403 10 0 AEAERN COc1ccc(-c2ccc[nH]2)c(N)c1 214746015 344382875 /nfs/dbraw/zinc/38/28/75/344382875.db2.gz RDKOVEDBJQSXQE-UHFFFAOYSA-N 0 0 188.230 2.273 10 0 AEAERN Cc1ccc(F)c(C2(O)CC2)c1F 214802535 344383052 /nfs/dbraw/zinc/38/30/52/344383052.db2.gz RTTKTWSACMVCND-UHFFFAOYSA-N 0 0 184.185 2.255 10 0 AEAERN Nc1ccc(F)c(-c2ccc[nH]2)c1 214752954 344383098 /nfs/dbraw/zinc/38/30/98/344383098.db2.gz BNWUNEYBLVTOSJ-UHFFFAOYSA-N 0 0 176.194 2.403 10 0 AEAERN Nc1ccc(-c2ccc[nH]2)c(F)c1 214759402 344383234 /nfs/dbraw/zinc/38/32/34/344383234.db2.gz PZEKHCNFFHDQGC-UHFFFAOYSA-N 0 0 176.194 2.403 10 0 AEAERN Nc1ccc(F)cc1-c1ccc[nH]1 214779575 344383304 /nfs/dbraw/zinc/38/33/04/344383304.db2.gz MZLXMKASIUKGNL-UHFFFAOYSA-N 0 0 176.194 2.403 10 0 AEAERN Nc1cc(F)ccc1-c1ccc[nH]1 214785730 344383323 /nfs/dbraw/zinc/38/33/23/344383323.db2.gz DKARKUQXKAHKDY-UHFFFAOYSA-N 0 0 176.194 2.403 10 0 AEAERN Cc1nc(CC(F)(F)F)c(N)s1 214838141 344383501 /nfs/dbraw/zinc/38/35/01/344383501.db2.gz HKPSJBXQEIXDBE-UHFFFAOYSA-N 0 0 196.197 2.139 10 0 AEAERN CCc1ccc(OC)c(OC)c1C=O 214881313 344383567 /nfs/dbraw/zinc/38/35/67/344383567.db2.gz HHUKPQQDSWJMSM-UHFFFAOYSA-N 0 0 194.230 2.079 10 0 AEAERN COC(=O)[C@@H]1C[C@H]1c1ccsc1 214845152 344383686 /nfs/dbraw/zinc/38/36/86/344383686.db2.gz OBURMUMQWYFFRK-JGVFFNPUSA-N 0 0 182.244 2.025 10 0 AEAERN COc1cc(F)c(C(C)=O)c(OC)c1 214928203 344383930 /nfs/dbraw/zinc/38/39/30/344383930.db2.gz LUCLZBDEQNLYBD-UHFFFAOYSA-N 0 0 198.193 2.046 10 0 AEAERN COc1cc(C(C)=O)cc(OC)c1F 214928132 344383965 /nfs/dbraw/zinc/38/39/65/344383965.db2.gz DLLKOVIXDZUBSK-UHFFFAOYSA-N 0 0 198.193 2.046 10 0 AEAERN CSc1cnccc1Cl 214903097 344384016 /nfs/dbraw/zinc/38/40/16/344384016.db2.gz PVSFTPCUGFVQLX-UHFFFAOYSA-N 0 0 159.641 2.457 10 0 AEAERN C[C@H](O)[C@H]1CCc2c(F)cccc21 215018696 344384868 /nfs/dbraw/zinc/38/48/68/344384868.db2.gz GBGYITYZAWIEKN-JGVFFNPUSA-N 0 0 180.222 2.236 10 0 AEAERN C[C@@H](O)[C@@H]1CCc2c(F)cccc21 215018656 344384878 /nfs/dbraw/zinc/38/48/78/344384878.db2.gz GBGYITYZAWIEKN-SFYZADRCSA-N 0 0 180.222 2.236 10 0 AEAERN O[C@]1(C2CC2)CCc2c(F)cccc21 215002623 344384897 /nfs/dbraw/zinc/38/48/97/344384897.db2.gz IQQGDZXEEZPSNC-LBPRGKRZSA-N 0 0 192.233 2.370 10 0 AEAERN O[C@@]1(C2CC2)CCc2c(F)cccc21 215002672 344384900 /nfs/dbraw/zinc/38/49/00/344384900.db2.gz IQQGDZXEEZPSNC-GFCCVEGCSA-N 0 0 192.233 2.370 10 0 AEAERN C[C@@H](O)[C@H]1CCc2c(F)cccc21 215018747 344384931 /nfs/dbraw/zinc/38/49/31/344384931.db2.gz GBGYITYZAWIEKN-HTQZYQBOSA-N 0 0 180.222 2.236 10 0 AEAERN C=CC(=O)Nc1c(F)ccc(C)c1F 215068757 344385188 /nfs/dbraw/zinc/38/51/88/344385188.db2.gz VRGVYNYHPVQQIB-UHFFFAOYSA-N 0 0 197.184 2.398 10 0 AEAERN CNc1c(F)ccc(C)c1F 215066421 344385392 /nfs/dbraw/zinc/38/53/92/344385392.db2.gz BLBQGWGLOCMSTI-UHFFFAOYSA-N 0 0 157.163 2.315 10 0 AEAERN CCOC(=O)c1cc(C)ncc1Cl 215246219 344387704 /nfs/dbraw/zinc/38/77/04/344387704.db2.gz OBIRHNRMROCZBQ-UHFFFAOYSA-N 0 0 199.637 2.220 10 0 AEAERN OCc1ccccc1C1=CCCCO1 215297820 344388272 /nfs/dbraw/zinc/38/82/72/344388272.db2.gz SFLHWNINKCJSIE-UHFFFAOYSA-N 0 0 190.242 2.330 10 0 AEAERN CC(C)[C@@](C)(O)c1ccc(O)cc1 215457730 344389099 /nfs/dbraw/zinc/38/90/99/344389099.db2.gz JAYHAFWVRLEYNW-LLVKDONJSA-N 0 0 180.247 2.256 10 0 AEAERN CCC[C@](C)(O)c1ccc(O)cc1 215447925 344389190 /nfs/dbraw/zinc/38/91/90/344389190.db2.gz YIFOELCISZVXNG-NSHDSACASA-N 0 0 180.247 2.400 10 0 AEAERN CC(C)C[C@@H]1N=C(C(C)(C)C)OC1=O 215451910 344389198 /nfs/dbraw/zinc/38/91/98/344389198.db2.gz MBTZGDLIMBLXIM-QMMMGPOBSA-N 0 0 197.278 2.403 10 0 AEAERN CCC[C@@](C)(O)c1ccc(O)cc1 215447978 344389227 /nfs/dbraw/zinc/38/92/27/344389227.db2.gz YIFOELCISZVXNG-LLVKDONJSA-N 0 0 180.247 2.400 10 0 AEAERN CC(C)C[C@H]1N=C(C(C)(C)C)OC1=O 215451863 344389245 /nfs/dbraw/zinc/38/92/45/344389245.db2.gz MBTZGDLIMBLXIM-MRVPVSSYSA-N 0 0 197.278 2.403 10 0 AEAERN CC(C)[C@](C)(O)c1ccc(O)cc1 215457680 344389251 /nfs/dbraw/zinc/38/92/51/344389251.db2.gz JAYHAFWVRLEYNW-NSHDSACASA-N 0 0 180.247 2.256 10 0 AEAERN C[C@](O)(c1ccc(O)cc1)C1CC1 215525192 344389520 /nfs/dbraw/zinc/38/95/20/344389520.db2.gz VRORHRBIWFWMLO-LLVKDONJSA-N 0 0 178.231 2.010 10 0 AEAERN Oc1cc(O)c2sccc2c1 215530230 344389539 /nfs/dbraw/zinc/38/95/39/344389539.db2.gz BLWRLFYTFKJJOH-UHFFFAOYSA-N 0 0 166.201 2.313 10 0 AEAERN O=Cc1cc2ccc(O)cc2cc1O 215513740 344389670 /nfs/dbraw/zinc/38/96/70/344389670.db2.gz KPNAHUYQBJZFCM-UHFFFAOYSA-N 0 0 188.182 2.064 10 0 AEAERN C[C@@](O)(c1ccc(O)cc1)C1CC1 215525141 344389762 /nfs/dbraw/zinc/38/97/62/344389762.db2.gz VRORHRBIWFWMLO-NSHDSACASA-N 0 0 178.231 2.010 10 0 AEAERN COC(=O)c1cccc([C@@H](C)OC)c1 215550827 344390104 /nfs/dbraw/zinc/39/01/04/344390104.db2.gz IXKXHDGEIHXBAE-MRVPVSSYSA-N 0 0 194.230 2.181 10 0 AEAERN COC(=O)c1cccc([C@H](C)OC)c1 215550783 344390250 /nfs/dbraw/zinc/39/02/50/344390250.db2.gz IXKXHDGEIHXBAE-QMMMGPOBSA-N 0 0 194.230 2.181 10 0 AEAERN C[C@@]1(Cl)C=CC(Cl)=C[C@@H]1CO 215638870 344390562 /nfs/dbraw/zinc/39/05/62/344390562.db2.gz BHQSGQRKJLZTAQ-HTRCEHHLSA-N 0 0 193.073 2.285 10 0 AEAERN C[C@]1(Cl)C=CC(Cl)=C[C@@H]1CO 215638823 344390648 /nfs/dbraw/zinc/39/06/48/344390648.db2.gz BHQSGQRKJLZTAQ-SVRRBLITSA-N 0 0 193.073 2.285 10 0 AEAERN C[C@H]1SC(c2ccncc2)=CN1O 215642487 344390663 /nfs/dbraw/zinc/39/06/63/344390663.db2.gz HBWNUAFPVLXMSB-SSDOTTSWSA-N 0 0 194.259 2.164 10 0 AEAERN C[C@]1(Cl)C=CC(Cl)=C[C@H]1CO 215638923 344390667 /nfs/dbraw/zinc/39/06/67/344390667.db2.gz BHQSGQRKJLZTAQ-XPUUQOCRSA-N 0 0 193.073 2.285 10 0 AEAERN C[C@@]1(Cl)C=CC(Cl)=C[C@H]1CO 215638972 344390690 /nfs/dbraw/zinc/39/06/90/344390690.db2.gz BHQSGQRKJLZTAQ-POYBYMJQSA-N 0 0 193.073 2.285 10 0 AEAERN C[C@@H]1SC(c2ccncc2)=CN1O 215642533 344390747 /nfs/dbraw/zinc/39/07/47/344390747.db2.gz HBWNUAFPVLXMSB-ZETCQYMHSA-N 0 0 194.259 2.164 10 0 AEAERN O=C1COC2(CCCCCCC2)C1 215698494 344391031 /nfs/dbraw/zinc/39/10/31/344391031.db2.gz KUUCEJAUMSXFGN-UHFFFAOYSA-N 0 0 182.263 2.459 10 0 AEAERN O=C1COC2(CCCCCC2)C1 215698313 344391044 /nfs/dbraw/zinc/39/10/44/344391044.db2.gz GFIZCCKBUDOAKG-UHFFFAOYSA-N 0 0 168.236 2.069 10 0 AEAERN Cn1cc(/C=C/CO)c2ccccc21 215723224 344391411 /nfs/dbraw/zinc/39/14/11/344391411.db2.gz NWXNRXMDTZKWRS-SNAWJCMRSA-N 0 0 187.242 2.184 10 0 AEAERN C=C=CC(=O)OCC[Si](C)(C)C 215739430 344391627 /nfs/dbraw/zinc/39/16/27/344391627.db2.gz LHTVRLPMBNUBGQ-UHFFFAOYSA-N 0 0 184.311 2.209 10 0 AEAERN C=Cc1cn([Si](C)(C)C)cn1 215872282 344393529 /nfs/dbraw/zinc/39/35/29/344393529.db2.gz PXLBYBDXNOGZLH-UHFFFAOYSA-N 0 0 166.300 2.209 10 0 AEAERN c1cnc(OCC2CCCCC2)nc1 215839180 344393806 /nfs/dbraw/zinc/39/38/06/344393806.db2.gz RVYYZDBMPRDRKL-UHFFFAOYSA-N 0 0 192.262 2.436 10 0 AEAERN Cc1cccc(C)c1[C@@H]1C[C@H]1CO 215950443 344393905 /nfs/dbraw/zinc/39/39/05/344393905.db2.gz BROAJBYZJVPPFK-WDEREUQCSA-N 0 0 176.259 2.399 10 0 AEAERN C[C@H]1CNC(=O)c2ccc(Cl)cc21 215936225 344393919 /nfs/dbraw/zinc/39/39/19/344393919.db2.gz WBHGWJKAVGEQLU-LURJTMIESA-N 0 0 195.649 2.187 10 0 AEAERN Nc1ncc(C2=CCCC2)s1 215918081 344393929 /nfs/dbraw/zinc/39/39/29/344393929.db2.gz ZYCYEDPKFBUMCR-UHFFFAOYSA-N 0 0 166.249 2.293 10 0 AEAERN Cc1cccc(C)c1[C@@H]1C[C@@H]1CO 215950355 344393933 /nfs/dbraw/zinc/39/39/33/344393933.db2.gz BROAJBYZJVPPFK-GHMZBOCLSA-N 0 0 176.259 2.399 10 0 AEAERN Cc1cccc(C)c1[C@H]1C[C@H]1CO 215950488 344393991 /nfs/dbraw/zinc/39/39/91/344393991.db2.gz BROAJBYZJVPPFK-QWRGUYRKSA-N 0 0 176.259 2.399 10 0 AEAERN C[C@@H]1CNC(=O)c2ccc(Cl)cc21 215936182 344394000 /nfs/dbraw/zinc/39/40/00/344394000.db2.gz WBHGWJKAVGEQLU-ZCFIWIBFSA-N 0 0 195.649 2.187 10 0 AEAERN Cc1cccc(C)c1[C@H]1C[C@@H]1CO 215950400 344394030 /nfs/dbraw/zinc/39/40/30/344394030.db2.gz BROAJBYZJVPPFK-MNOVXSKESA-N 0 0 176.259 2.399 10 0 AEAERN Nc1ccccc1OC/C=C\Cl 216078777 344394632 /nfs/dbraw/zinc/39/46/32/344394632.db2.gz PZFUGXJEZCYHGS-UTCJRWHESA-N 0 0 183.638 2.400 10 0 AEAERN 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344430017 /nfs/dbraw/zinc/43/00/17/344430017.db2.gz RFKOFJVFXJGRNO-UHFFFAOYSA-N 0 0 171.199 2.248 10 0 AEAERN Nc1cnc(Nc2ccccc2)s1 219966597 344430059 /nfs/dbraw/zinc/43/00/59/344430059.db2.gz CUCYXQRTTVJFQD-UHFFFAOYSA-N 0 0 191.259 2.469 10 0 AEAERN C/C=C\NC(=O)c1c(F)cccc1F 220122423 344430634 /nfs/dbraw/zinc/43/06/34/344430634.db2.gz RZUKSEWRDSMGDI-KXFIGUGUSA-N 0 0 197.184 2.228 10 0 AEAERN N#Cc1ccc(NC2CC2)nc1Cl 220213984 344431082 /nfs/dbraw/zinc/43/10/82/344431082.db2.gz GDLSAFDQALEPDC-UHFFFAOYSA-N 0 0 193.637 2.181 10 0 AEAERN C[C@H](O)C1C[C@H](C)C[C@@H](C)C1 220257981 344431433 /nfs/dbraw/zinc/43/14/33/344431433.db2.gz VOPPFSZUSWSWSJ-HLTSFMKQSA-N 0 0 156.269 2.440 10 0 AEAERN COC[C@H](O)C1C[C@H](C)C[C@@H](C)C1 220275548 344431539 /nfs/dbraw/zinc/43/15/39/344431539.db2.gz BMZUFRLPNKOBIE-KKZNHRDASA-N 0 0 186.295 2.066 10 0 AEAERN C[C@@H]1CCC[C@@H]([C@@H](O)C2=CCCO2)C1 220236599 344431546 /nfs/dbraw/zinc/43/15/46/344431546.db2.gz MKFMNHDZZBMTFN-CKYFFXLPSA-N 0 0 196.290 2.478 10 0 AEAERN C[C@H]1CC([C@@]2(O)CCOC2)C[C@H](C)C1 220235180 344431657 /nfs/dbraw/zinc/43/16/57/344431657.db2.gz USYDDMHYKVLRLO-CKYFFXLPSA-N 0 0 198.306 2.210 10 0 AEAERN CC[C@H](C)/C=C(\C)[N+](=O)[O-] 220417389 344432057 /nfs/dbraw/zinc/43/20/57/344432057.db2.gz VNUJRFPHSVUONR-YXXZKMSWSA-N 0 0 143.186 2.213 10 0 AEAERN CC[C@@H](C)/C=C(\C)[N+](=O)[O-] 220417312 344432134 /nfs/dbraw/zinc/43/21/34/344432134.db2.gz VNUJRFPHSVUONR-LUFONEFESA-N 0 0 143.186 2.213 10 0 AEAERN CC(C)[N@@H+]1CCOC[C@@H]1C(C)(C)C 220394905 344432235 /nfs/dbraw/zinc/43/22/35/344432235.db2.gz VXWBLTDOFPBXJI-SNVBAGLBSA-N 0 0 185.311 2.142 10 0 AEAERN COc1cc(F)c(C)cc1C 220356848 344432255 /nfs/dbraw/zinc/43/22/55/344432255.db2.gz XLXYUJNXWQKONZ-UHFFFAOYSA-N 0 0 154.184 2.451 10 0 AEAERN CC(C)[N@@H+]1CCOC[C@H]1C(C)(C)C 220394972 344432258 /nfs/dbraw/zinc/43/22/58/344432258.db2.gz VXWBLTDOFPBXJI-JTQLQIEISA-N 0 0 185.311 2.142 10 0 AEAERN C/C=C\COc1nccnc1Cl 220354827 344432291 /nfs/dbraw/zinc/43/22/91/344432291.db2.gz DNWZLVRGEOQIPB-IHWYPQMZSA-N 0 0 184.626 2.085 10 0 AEAERN CC(=O)CSc1ccoc1C 220324015 344432336 /nfs/dbraw/zinc/43/23/36/344432336.db2.gz QBQRNOPVEPGWNB-UHFFFAOYSA-N 0 0 170.233 2.269 10 0 AEAERN Cc1ccc(OC(F)F)c(O)c1 220454619 344432779 /nfs/dbraw/zinc/43/27/79/344432779.db2.gz LICUKYZRYWYYBH-UHFFFAOYSA-N 0 0 174.146 2.302 10 0 AEAERN C[C@@H](C(=O)Nc1cnoc1)C(C)(C)C 220502201 344432824 /nfs/dbraw/zinc/43/28/24/344432824.db2.gz QAVRXJZIJNZOFG-ZETCQYMHSA-N 0 0 196.250 2.295 10 0 AEAERN CNc1ccc(-c2cnn(C)c2)cc1 220440854 344432866 /nfs/dbraw/zinc/43/28/66/344432866.db2.gz KOUZNAFTSDSBPN-UHFFFAOYSA-N 0 0 187.246 2.129 10 0 AEAERN C[C@H](C(=O)Nc1cnoc1)C(C)(C)C 220502267 344432873 /nfs/dbraw/zinc/43/28/73/344432873.db2.gz QAVRXJZIJNZOFG-SSDOTTSWSA-N 0 0 196.250 2.295 10 0 AEAERN CCOC(=O)c1cc[nH]c1C(C)(C)C 220509316 344433103 /nfs/dbraw/zinc/43/31/03/344433103.db2.gz CUSMRZXRENBDPU-UHFFFAOYSA-N 0 0 195.262 2.489 10 0 AEAERN Cc1c(Cl)cccc1[C@H](C)NN 220597020 344433639 /nfs/dbraw/zinc/43/36/39/344433639.db2.gz WBZSOBCRPVMDGV-ZETCQYMHSA-N 0 0 184.670 2.173 10 0 AEAERN C=Cc1c(C(F)(F)F)n[nH]c1C 220603488 344433702 /nfs/dbraw/zinc/43/37/02/344433702.db2.gz RSPMGBWZGAQBFX-UHFFFAOYSA-N 0 0 176.141 2.380 10 0 AEAERN Cc1c(Cl)cccc1[C@@H](C)NN 220596962 344433871 /nfs/dbraw/zinc/43/38/71/344433871.db2.gz WBZSOBCRPVMDGV-SSDOTTSWSA-N 0 0 184.670 2.173 10 0 AEAERN CCOC(=O)C[C@H]1CCC[C@H]1C 220694830 344434153 /nfs/dbraw/zinc/43/41/53/344434153.db2.gz HEROCQJPFUQDGC-RKDXNWHRSA-N 0 0 170.252 2.376 10 0 AEAERN CCOC(=O)C[C@H]1CCC[C@@H]1C 220694697 344434125 /nfs/dbraw/zinc/43/41/25/344434125.db2.gz HEROCQJPFUQDGC-DTWKUNHWSA-N 0 0 170.252 2.376 10 0 AEAERN COC(=O)/C=C/CC(C)=C(C)C 220686261 344434180 /nfs/dbraw/zinc/43/41/80/344434180.db2.gz LIAPXZUHZKPGRX-FNORWQNLSA-N 0 0 168.236 2.462 10 0 AEAERN CCOC(=O)C[C@@H]1CCC[C@H]1C 220694764 344434248 /nfs/dbraw/zinc/43/42/48/344434248.db2.gz HEROCQJPFUQDGC-BDAKNGLRSA-N 0 0 170.252 2.376 10 0 AEAERN C[C@@H]1SCC[C@H]1Nc1cccnc1 220781447 344435193 /nfs/dbraw/zinc/43/51/93/344435193.db2.gz VNUYIIWERZOJMW-WCBMZHEXSA-N 0 0 194.303 2.388 10 0 AEAERN C[C@H]1C[C@]2(CC[C@H]1C)C[C@@H](O)CCO2 220773012 344435202 /nfs/dbraw/zinc/43/52/02/344435202.db2.gz WYXLJPDGXUYKIM-NOOOWODRSA-N 0 0 198.306 2.353 10 0 AEAERN C[C@@H]1SCC[C@@H]1Nc1cccnc1 220781330 344435229 /nfs/dbraw/zinc/43/52/29/344435229.db2.gz VNUYIIWERZOJMW-WPRPVWTQSA-N 0 0 194.303 2.388 10 0 AEAERN C[C@H]1SCC[C@H]1Nc1cccnc1 220781501 344435283 /nfs/dbraw/zinc/43/52/83/344435283.db2.gz VNUYIIWERZOJMW-PSASIEDQSA-N 0 0 194.303 2.388 10 0 AEAERN CC(C)n1cc(C(F)(F)F)cn1 220780933 344435287 /nfs/dbraw/zinc/43/52/87/344435287.db2.gz DLRKNFLZRIFCEC-UHFFFAOYSA-N 0 0 178.157 2.483 10 0 AEAERN C[C@H]1SCC[C@@H]1Nc1cccnc1 220781390 344435405 /nfs/dbraw/zinc/43/54/05/344435405.db2.gz VNUYIIWERZOJMW-SCZZXKLOSA-N 0 0 194.303 2.388 10 0 AEAERN C/C=C/C(=O)O[C@H](C)C(C)C 220826093 344435694 /nfs/dbraw/zinc/43/56/94/344435694.db2.gz VAJUGZPPLRWLQN-HQZHTGGTSA-N 0 0 156.225 2.150 10 0 AEAERN C/C=C/C(=O)O[C@@H](C)C(C)C 220825958 344435780 /nfs/dbraw/zinc/43/57/80/344435780.db2.gz VAJUGZPPLRWLQN-GJIOHYHPSA-N 0 0 156.225 2.150 10 0 AEAERN CC[C@H](O)[C@H]1CCO[C@@H](C(C)C)C1 220832204 344435851 /nfs/dbraw/zinc/43/58/51/344435851.db2.gz BQGIHLHWLUHGIL-GARJFASQSA-N 0 0 186.295 2.209 10 0 AEAERN CC[C@H](O)[C@@H]1CCO[C@@H](C(C)C)C1 220832073 344435863 /nfs/dbraw/zinc/43/58/63/344435863.db2.gz BQGIHLHWLUHGIL-OUAUKWLOSA-N 0 0 186.295 2.209 10 0 AEAERN Oc1ccc(F)cc1OC(F)(F)F 220812231 344435878 /nfs/dbraw/zinc/43/58/78/344435878.db2.gz KMRMVTRVPNSHEJ-UHFFFAOYSA-N 0 0 196.099 2.430 10 0 AEAERN CCC[C@@H](C[C@@H](C)O)SC(C)=O 220907576 344436226 /nfs/dbraw/zinc/43/62/26/344436226.db2.gz OJCMLUDVEVGZJY-APPZFPTMSA-N 0 0 190.308 2.206 10 0 AEAERN CC1=CC[C@H]2C[C@@H]1CCC2=O 220903663 344436289 /nfs/dbraw/zinc/43/62/89/344436289.db2.gz DUPYWYQWWDIVLW-IUCAKERBSA-N 0 0 150.221 2.322 10 0 AEAERN COCC1(C)C=C(OC)CC(OC)=C1 220882397 344436364 /nfs/dbraw/zinc/43/63/64/344436364.db2.gz UWGBSXQWCCMAKO-UHFFFAOYSA-N 0 0 198.262 2.103 10 0 AEAERN COc1cc([C@@H](C)CO)ccc1C 220911989 344436417 /nfs/dbraw/zinc/43/64/17/344436417.db2.gz FYBQFZVCPHEDDM-VIFPVBQESA-N 0 0 180.247 2.099 10 0 AEAERN CCC[C@H](C[C@@H](C)O)SC(C)=O 220907638 344436444 /nfs/dbraw/zinc/43/64/44/344436444.db2.gz OJCMLUDVEVGZJY-VXNVDRBHSA-N 0 0 190.308 2.206 10 0 AEAERN CCn1cccc1/C=C(\C)[N+](=O)[O-] 221073121 344437429 /nfs/dbraw/zinc/43/74/29/344437429.db2.gz GJLFFMDFUWJMFI-BQYQJAHWSA-N 0 0 180.207 2.146 10 0 AEAERN Cc1nsc(NC(C)(C)C2CC2)n1 221025845 344437543 /nfs/dbraw/zinc/43/75/43/344437543.db2.gz SCRXBFFUOZLLIX-UHFFFAOYSA-N 0 0 197.307 2.447 10 0 AEAERN COc1cccc([C@H](C)O)c1C 221052931 344437583 /nfs/dbraw/zinc/43/75/83/344437583.db2.gz MTHCWODCTIOLPR-QMMMGPOBSA-N 0 0 166.220 2.057 10 0 AEAERN CC(C)[C@@H]1CCCN1c1ncccn1 221143214 344438423 /nfs/dbraw/zinc/43/84/23/344438423.db2.gz FTTMCMSCCAWXJA-JTQLQIEISA-N 0 0 191.278 2.101 10 0 AEAERN CC(C)[C@H]1CCCN1c1ncccn1 221143274 344438653 /nfs/dbraw/zinc/43/86/53/344438653.db2.gz FTTMCMSCCAWXJA-SNVBAGLBSA-N 0 0 191.278 2.101 10 0 AEAERN CCNc1c(C)cccc1C(N)=S 221160036 344438686 /nfs/dbraw/zinc/43/86/86/344438686.db2.gz NJAJLKRCRXQPTK-UHFFFAOYSA-N 0 0 194.303 2.061 10 0 AEAERN Cc1ccc(F)c(C)c1C=O 221153036 344438739 /nfs/dbraw/zinc/43/87/39/344438739.db2.gz UPQOTYZBMGNSGG-UHFFFAOYSA-N 0 0 152.168 2.255 10 0 AEAERN CSCC(F)(F)C(F)F 221169890 344439095 /nfs/dbraw/zinc/43/90/95/344439095.db2.gz ANZLXPAJHDBYPH-UHFFFAOYSA-N 0 0 162.151 2.250 10 0 AEAERN CC(C)(C)C(C)(C)NC(=O)C1CC1 221188602 344439102 /nfs/dbraw/zinc/43/91/02/344439102.db2.gz KMADGYSYUGERHV-UHFFFAOYSA-N 0 0 183.295 2.337 10 0 AEAERN CCOC(=O)c1c(C(C)C)n[nH]c1C 221199969 344439491 /nfs/dbraw/zinc/43/94/91/344439491.db2.gz UQBWECQYCQIRMS-UHFFFAOYSA-N 0 0 196.250 2.018 10 0 AEAERN COC(=O)Cc1cc(C)ccc1Cl 221197995 344439652 /nfs/dbraw/zinc/43/96/52/344439652.db2.gz GXLJKVJEZGECAS-UHFFFAOYSA-N 0 0 198.649 2.364 10 0 AEAERN Cc1cc2c(cc1C)C(=O)C(=O)S2 221210726 344439688 /nfs/dbraw/zinc/43/96/88/344439688.db2.gz SHSVXUXBGVUWPJ-UHFFFAOYSA-N 0 0 192.239 2.118 10 0 AEAERN Cc1cnn([C@@H]2CCC[C@H]2F)c1 221217299 344440383 /nfs/dbraw/zinc/44/03/83/344440383.db2.gz ZIZVFYPFJUKLTM-RKDXNWHRSA-N 0 0 168.215 2.255 10 0 AEAERN F[C@@H]1CCCC[C@H]1n1cccn1 221216302 344440403 /nfs/dbraw/zinc/44/04/03/344440403.db2.gz ZWLTWIZHXZPZBI-RKDXNWHRSA-N 0 0 168.215 2.336 10 0 AEAERN C=Cc1ccnc(F)c1C(=O)OCC 221246326 344440801 /nfs/dbraw/zinc/44/08/01/344440801.db2.gz GLOBADOAUJSZQS-UHFFFAOYSA-N 0 0 195.193 2.040 10 0 AEAERN CC(=O)[C@H](C)C1CCC1 221268998 344441048 /nfs/dbraw/zinc/44/10/48/344441048.db2.gz TTWDXPUBIQADTO-LURJTMIESA-N 0 0 126.199 2.012 10 0 AEAERN CC(=O)[C@@H](C)C1CCC1 221268937 344441149 /nfs/dbraw/zinc/44/11/49/344441149.db2.gz TTWDXPUBIQADTO-ZCFIWIBFSA-N 0 0 126.199 2.012 10 0 AEAERN Cc1ncccc1-c1ccc(N)nc1 221289876 344441182 /nfs/dbraw/zinc/44/11/82/344441182.db2.gz IGMKKOSOHMVNQG-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CC(C)N1CCc2c(O)cccc21 221272420 344441229 /nfs/dbraw/zinc/44/12/29/344441229.db2.gz WYNHYRABPKDQCL-UHFFFAOYSA-N 0 0 177.247 2.163 10 0 AEAERN Cc1nc2cc(-n3ccnc3)ccc2[nH]1 221292489 344441523 /nfs/dbraw/zinc/44/15/23/344441523.db2.gz BAUCCWWQYBZWDP-UHFFFAOYSA-N 0 0 198.229 2.057 10 0 AEAERN CCOc1c(C)cccc1C(N)=S 221292967 344441806 /nfs/dbraw/zinc/44/18/06/344441806.db2.gz XEXUSOIJLKRMOT-UHFFFAOYSA-N 0 0 195.287 2.028 10 0 AEAERN COc1cc2sc(C)nc2cc1O 221358470 344442400 /nfs/dbraw/zinc/44/24/00/344442400.db2.gz ANJPXVQARZUVPF-UHFFFAOYSA-N 0 0 195.243 2.319 10 0 AEAERN CC(C)(C)CSCCCO 221381752 344442940 /nfs/dbraw/zinc/44/29/40/344442940.db2.gz HCFPISKBGJKDRX-UHFFFAOYSA-N 0 0 162.298 2.148 10 0 AEAERN C[C@@H](CO)CSCC(C)(C)C 221385136 344442965 /nfs/dbraw/zinc/44/29/65/344442965.db2.gz SYXZWZPOQYJZOP-QMMMGPOBSA-N 0 0 176.325 2.394 10 0 AEAERN C[C@H](CO)CSCC(C)(C)C 221385184 344442977 /nfs/dbraw/zinc/44/29/77/344442977.db2.gz SYXZWZPOQYJZOP-MRVPVSSYSA-N 0 0 176.325 2.394 10 0 AEAERN COc1cc(F)cc(C)c1C 221445308 344443205 /nfs/dbraw/zinc/44/32/05/344443205.db2.gz GHMROWFWYDPHBF-UHFFFAOYSA-N 0 0 154.184 2.451 10 0 AEAERN CC(=O)C[C@H]1CNc2ccccc21 221435423 344443308 /nfs/dbraw/zinc/44/33/08/344443308.db2.gz IINFTHDMGCEYBO-VIFPVBQESA-N 0 0 175.231 2.175 10 0 AEAERN O=C(NCl)Oc1ccc(F)cc1 221426759 344443382 /nfs/dbraw/zinc/44/33/82/344443382.db2.gz LVWFRFLLUZDGRV-UHFFFAOYSA-N 0 0 189.573 2.068 10 0 AEAERN OC[C@@H]1CCCO[C@@H]1[C@@H]1CC=CCC1 221450724 344443402 /nfs/dbraw/zinc/44/34/02/344443402.db2.gz YNFMJMHUJCGAMU-GRYCIOLGSA-N 0 0 196.290 2.130 10 0 AEAERN CC(=O)C[C@@H]1CNc2ccccc21 221435365 344443425 /nfs/dbraw/zinc/44/34/25/344443425.db2.gz IINFTHDMGCEYBO-SECBINFHSA-N 0 0 175.231 2.175 10 0 AEAERN OC[C@@H]1CCCO[C@H]1[C@@H]1CC=CCC1 221450830 344443511 /nfs/dbraw/zinc/44/35/11/344443511.db2.gz YNFMJMHUJCGAMU-WOPDTQHZSA-N 0 0 196.290 2.130 10 0 AEAERN COc1cc(OC)c(Cl)cc1F 221486179 344443851 /nfs/dbraw/zinc/44/38/51/344443851.db2.gz IFJZBZSWANDTRM-UHFFFAOYSA-N 0 0 190.601 2.496 10 0 AEAERN Cc1[nH]cc2c1C(=O)CC(C)(C)C2 221516390 344443859 /nfs/dbraw/zinc/44/38/59/344443859.db2.gz TVYYGWNIOUCOHL-UHFFFAOYSA-N 0 0 177.247 2.478 10 0 AEAERN Cc1c(O)ccc(F)c1Cl 221519672 344444423 /nfs/dbraw/zinc/44/44/23/344444423.db2.gz AKKDUFQWJQQJDJ-UHFFFAOYSA-N 0 0 160.575 2.493 10 0 AEAERN Cc1ccsc1-c1nc(C=O)c[nH]1 221570869 344444527 /nfs/dbraw/zinc/44/45/27/344444527.db2.gz HDILZPNDLVIYRD-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN C[S@](=O)C(C)(C)c1ccccc1 221626326 344444967 /nfs/dbraw/zinc/44/49/67/344444967.db2.gz QMVCYWKURMRCGL-LBPRGKRZSA-N 0 0 182.288 2.300 10 0 AEAERN C[S@@](=O)C(C)(C)c1ccccc1 221626372 344445025 /nfs/dbraw/zinc/44/50/25/344445025.db2.gz QMVCYWKURMRCGL-GFCCVEGCSA-N 0 0 182.288 2.300 10 0 AEAERN Cc1cc(CO)cc(OC(C)C)c1 221711428 344445532 /nfs/dbraw/zinc/44/55/32/344445532.db2.gz PGCWTAMZPKUHQT-UHFFFAOYSA-N 0 0 180.247 2.275 10 0 AEAERN Fc1cc(-c2ccccn2)ccn1 221752416 344445572 /nfs/dbraw/zinc/44/55/72/344445572.db2.gz IRRDUZIEGQXHLD-UHFFFAOYSA-N 0 0 174.178 2.283 10 0 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171.190 2.103 10 0 AEAERN Cc1ccc([C@@](C)(F)C[NH3+])cc1F 224031209 344465451 /nfs/dbraw/zinc/46/54/51/344465451.db2.gz ONCSCVGGVZLHNS-JTQLQIEISA-N 0 0 185.217 2.278 10 0 AEAERN Cc1ccc([C@](C)(F)C[NH3+])cc1F 224031263 344465476 /nfs/dbraw/zinc/46/54/76/344465476.db2.gz ONCSCVGGVZLHNS-SNVBAGLBSA-N 0 0 185.217 2.278 10 0 AEAERN Cc1ccc([C@H](F)C[NH3+])cc1F 224030077 344465486 /nfs/dbraw/zinc/46/54/86/344465486.db2.gz PGXRDVRRSTUINF-SECBINFHSA-N 0 0 171.190 2.103 10 0 AEAERN O=C1C[C@@H](C(F)F)Oc2ccccc21 224042418 344465762 /nfs/dbraw/zinc/46/57/62/344465762.db2.gz DUQTWCCORQSHPT-VIFPVBQESA-N 0 0 198.168 2.286 10 0 AEAERN COc1cc(C(F)F)c(Cl)nn1 224054771 344465890 /nfs/dbraw/zinc/46/58/90/344465890.db2.gz GWPGTFLFGTXWOO-UHFFFAOYSA-N 0 0 194.568 2.076 10 0 AEAERN Cc1cncc(Cl)c1F 224143376 344466243 /nfs/dbraw/zinc/46/62/43/344466243.db2.gz MTEHPEXLGKMQGH-UHFFFAOYSA-N 0 0 145.564 2.183 10 0 AEAERN CC(=O)c1cc(Cl)cc(N)c1C 224142271 344466611 /nfs/dbraw/zinc/46/66/11/344466611.db2.gz RZMHWZBPTGOIAO-UHFFFAOYSA-N 0 0 183.638 2.433 10 0 AEAERN CC(=O)N/C(C)=C\c1ccc(F)cc1 224142980 344466617 /nfs/dbraw/zinc/46/66/17/344466617.db2.gz DLRNBVVLFDLJLQ-FPLPWBNLSA-N 0 0 193.221 2.323 10 0 AEAERN CCC(=O)[C@]1(C)C[C@@H]1C 224207128 344466866 /nfs/dbraw/zinc/46/68/66/344466866.db2.gz GNKULYTYGIAYCO-POYBYMJQSA-N 0 0 126.199 2.012 10 0 AEAERN CCC(=O)[C@]1(C)C[C@H]1C 224207232 344466896 /nfs/dbraw/zinc/46/68/96/344466896.db2.gz GNKULYTYGIAYCO-HTRCEHHLSA-N 0 0 126.199 2.012 10 0 AEAERN CCC(=O)[C@@]1(C)C[C@H]1C 224207278 344467009 /nfs/dbraw/zinc/46/70/09/344467009.db2.gz GNKULYTYGIAYCO-SVRRBLITSA-N 0 0 126.199 2.012 10 0 AEAERN COc1nnc(Cl)cc1C(F)F 224187732 344467051 /nfs/dbraw/zinc/46/70/51/344467051.db2.gz YQEHDPFJEFUQRF-UHFFFAOYSA-N 0 0 194.568 2.076 10 0 AEAERN CCC(=O)[C@@]1(C)C[C@@H]1C 224207178 344467060 /nfs/dbraw/zinc/46/70/60/344467060.db2.gz GNKULYTYGIAYCO-XPUUQOCRSA-N 0 0 126.199 2.012 10 0 AEAERN Cc1cccc([C@@H]2CCOC2)c1O 224249039 344467515 /nfs/dbraw/zinc/46/75/15/344467515.db2.gz XEBUFEJCEKCQEK-SECBINFHSA-N 0 0 178.231 2.205 10 0 AEAERN CCCC(=O)C(C)(F)F 224258435 344467549 /nfs/dbraw/zinc/46/75/49/344467549.db2.gz JEQCPLBLLPABFP-UHFFFAOYSA-N 0 0 136.141 2.011 10 0 AEAERN Cc1cc(F)cc([C@H]2CCOC2)c1O 224232118 344467615 /nfs/dbraw/zinc/46/76/15/344467615.db2.gz FRHBEPSFCCHBEL-QMMMGPOBSA-N 0 0 196.221 2.344 10 0 AEAERN C=Cc1ccc(C=O)cc1F 224226294 344467624 /nfs/dbraw/zinc/46/76/24/344467624.db2.gz NPHCKILRTKGNOV-UHFFFAOYSA-N 0 0 150.152 2.281 10 0 AEAERN Cc1cc(F)cc([C@@H]2CCOC2)c1O 224232071 344467628 /nfs/dbraw/zinc/46/76/28/344467628.db2.gz FRHBEPSFCCHBEL-MRVPVSSYSA-N 0 0 196.221 2.344 10 0 AEAERN Cc1cccc([C@H]2CCOC2)c1O 224249097 344467663 /nfs/dbraw/zinc/46/76/63/344467663.db2.gz XEBUFEJCEKCQEK-VIFPVBQESA-N 0 0 178.231 2.205 10 0 AEAERN Fc1ccc(F)c(Cl)n1 224317897 344467805 /nfs/dbraw/zinc/46/78/05/344467805.db2.gz NAZUPLLHMOTTOY-UHFFFAOYSA-N 0 0 149.527 2.013 10 0 AEAERN CCCc1occc1C(=O)OCC 224283366 344468070 /nfs/dbraw/zinc/46/80/70/344468070.db2.gz JIAOOTBTMQZFPJ-UHFFFAOYSA-N 0 0 182.219 2.409 10 0 AEAERN CCC(=O)C1CC(C)(C)C1 224322538 344468103 /nfs/dbraw/zinc/46/81/03/344468103.db2.gz VJFIYNBQJPLAAH-UHFFFAOYSA-N 0 0 140.226 2.402 10 0 AEAERN CCn1cc2cc(N)cc(Cl)c2n1 224402885 344468298 /nfs/dbraw/zinc/46/82/98/344468298.db2.gz MSANYUUPFDGLNA-UHFFFAOYSA-N 0 0 195.653 2.292 10 0 AEAERN Nc1ccc2nn(C(F)F)cc2c1 224405164 344468466 /nfs/dbraw/zinc/46/84/66/344468466.db2.gz PRXJEKYRNHXCFW-UHFFFAOYSA-N 0 0 183.161 2.014 10 0 AEAERN Cc1cc(O)cc2c1C(=O)CO2 224392348 344468593 /nfs/dbraw/zinc/46/85/93/344468593.db2.gz GFJNHSHJFMHFBS-UHFFFAOYSA-N 0 0 164.160 2.152 10 0 AEAERN CC(C)c1noc(C(C)C)c1CO 224389026 344468602 /nfs/dbraw/zinc/46/86/02/344468602.db2.gz UYHHEFISJDNVLI-UHFFFAOYSA-N 0 0 183.251 2.414 10 0 AEAERN Nc1ccc(-c2ccco2)cc1N 224379358 344468649 /nfs/dbraw/zinc/46/86/49/344468649.db2.gz ZPUJVJYBYKSKPJ-UHFFFAOYSA-N 0 0 174.203 2.111 10 0 AEAERN Cc1cc(N)cc2cnn(C(F)F)c12 224412018 344468911 /nfs/dbraw/zinc/46/89/11/344468911.db2.gz KOZQIKZEAAPSDA-UHFFFAOYSA-N 0 0 197.188 2.322 10 0 AEAERN CC[C@H]1C[C@H]1Nc1ncc(Cl)cn1 224412258 344468931 /nfs/dbraw/zinc/46/89/31/344468931.db2.gz PXLZLJQWYYKQEU-POYBYMJQSA-N 0 0 197.669 2.340 10 0 AEAERN Cc1c(N)ccc2nn(C(F)F)cc12 224412499 344468937 /nfs/dbraw/zinc/46/89/37/344468937.db2.gz VZDXFVPTQBPREX-UHFFFAOYSA-N 0 0 197.188 2.322 10 0 AEAERN CCOC[C@]1(O)CC[C@H](C)[C@@H](C)C1 224465007 344468980 /nfs/dbraw/zinc/46/89/80/344468980.db2.gz NEOHAXGKNOPCIX-DCAQKATOSA-N 0 0 186.295 2.210 10 0 AEAERN CC[C@@H]1C[C@@H]1Nc1ncc(Cl)cn1 224412140 344468983 /nfs/dbraw/zinc/46/89/83/344468983.db2.gz PXLZLJQWYYKQEU-SVRRBLITSA-N 0 0 197.669 2.340 10 0 AEAERN CC[C@H]1C[C@@H]1Nc1ncc(Cl)cn1 224412183 344469021 /nfs/dbraw/zinc/46/90/21/344469021.db2.gz PXLZLJQWYYKQEU-XPUUQOCRSA-N 0 0 197.669 2.340 10 0 AEAERN Cc1cc(N)cc2nn(C(F)F)cc12 224424721 344469023 /nfs/dbraw/zinc/46/90/23/344469023.db2.gz AZQXJWAZXWDKDC-UHFFFAOYSA-N 0 0 197.188 2.322 10 0 AEAERN Cc1cc(N)cc2c1cnn2C(F)F 224422512 344469043 /nfs/dbraw/zinc/46/90/43/344469043.db2.gz WROJMLSCHRDFKW-UHFFFAOYSA-N 0 0 197.188 2.322 10 0 AEAERN CCOC[C@]1(O)CC[C@@H](C)[C@@H](C)C1 224464911 344469074 /nfs/dbraw/zinc/46/90/74/344469074.db2.gz NEOHAXGKNOPCIX-VWYCJHECSA-N 0 0 186.295 2.210 10 0 AEAERN Cc1cc(N)cc2cn(C(F)F)nc12 224416296 344469080 /nfs/dbraw/zinc/46/90/80/344469080.db2.gz HHKUMGJNWOMVJE-UHFFFAOYSA-N 0 0 197.188 2.322 10 0 AEAERN Nc1cccc2nn(C(F)F)cc12 224410512 344469212 /nfs/dbraw/zinc/46/92/12/344469212.db2.gz NCPVOUDLUKIFDO-UHFFFAOYSA-N 0 0 183.161 2.014 10 0 AEAERN Nc1ccc2cn(C(F)F)nc2c1 224414698 344469247 /nfs/dbraw/zinc/46/92/47/344469247.db2.gz LWDGNJQMWCKAQQ-UHFFFAOYSA-N 0 0 183.161 2.014 10 0 AEAERN CCc1ccc2c(c1)CN(C)CO2 224498739 344469632 /nfs/dbraw/zinc/46/96/32/344469632.db2.gz XEGFMWDLQLDBMN-UHFFFAOYSA-N 0 0 177.247 2.031 10 0 AEAERN CCCCS[C@@H]1CCOC1 224562934 344470205 /nfs/dbraw/zinc/47/02/05/344470205.db2.gz FKQJFEKORHCZPO-MRVPVSSYSA-N 0 0 160.282 2.309 10 0 AEAERN Cc1cc(Cl)cc(C(N)=S)c1 224535462 344470299 /nfs/dbraw/zinc/47/02/99/344470299.db2.gz NRAUDGSJVWBRCM-UHFFFAOYSA-N 0 0 185.679 2.283 10 0 AEAERN CC1([C@@H]2C[C@@H](O)CCO2)CCCCC1 224628488 344470761 /nfs/dbraw/zinc/47/07/61/344470761.db2.gz OHFKTWTVDKGWGB-QWRGUYRKSA-N 0 0 198.306 2.497 10 0 AEAERN CC1([C@H]2C[C@@H](O)CCO2)CCCCC1 224628521 344470853 /nfs/dbraw/zinc/47/08/53/344470853.db2.gz OHFKTWTVDKGWGB-WDEREUQCSA-N 0 0 198.306 2.497 10 0 AEAERN Cc1cccc(-c2cccc(=O)o2)n1 224599557 344470857 /nfs/dbraw/zinc/47/08/57/344470857.db2.gz DHHJOHXUUHUVOU-UHFFFAOYSA-N 0 0 187.198 2.010 10 0 AEAERN CC1([C@H]2C[C@H](O)CCO2)CCCCC1 224628452 344470882 /nfs/dbraw/zinc/47/08/82/344470882.db2.gz OHFKTWTVDKGWGB-GHMZBOCLSA-N 0 0 198.306 2.497 10 0 AEAERN CC1([C@@H]2C[C@H](O)CCO2)CCCCC1 224628387 344470896 /nfs/dbraw/zinc/47/08/96/344470896.db2.gz OHFKTWTVDKGWGB-MNOVXSKESA-N 0 0 198.306 2.497 10 0 AEAERN COc1cc(F)cc(OC)c1C 224601273 344470967 /nfs/dbraw/zinc/47/09/67/344470967.db2.gz JOBHUHHANJGZHC-UHFFFAOYSA-N 0 0 170.183 2.151 10 0 AEAERN N#CCN(N=O)c1cccc(Cl)c1 224653071 344471531 /nfs/dbraw/zinc/47/15/31/344471531.db2.gz ZTOUJTUYUUDASV-UHFFFAOYSA-N 0 0 195.609 2.351 10 0 AEAERN CCC(=O)[C@H]1C[C@@H]1CC 224685333 344471776 /nfs/dbraw/zinc/47/17/76/344471776.db2.gz RTHLRSHHYJRYNA-BQBZGAKWSA-N 0 0 126.199 2.012 10 0 AEAERN CCC(=O)[C@@H]1C[C@H]1CC 224685382 344471799 /nfs/dbraw/zinc/47/17/99/344471799.db2.gz RTHLRSHHYJRYNA-RNFRBKRXSA-N 0 0 126.199 2.012 10 0 AEAERN CCC(=O)[C@@H]1C[C@@H]1CC 224685428 344472009 /nfs/dbraw/zinc/47/20/09/344472009.db2.gz RTHLRSHHYJRYNA-NKWVEPMBSA-N 0 0 126.199 2.012 10 0 AEAERN CCC(=O)[C@H]1C[C@H]1CC 224685290 344472032 /nfs/dbraw/zinc/47/20/32/344472032.db2.gz RTHLRSHHYJRYNA-RQJHMYQMSA-N 0 0 126.199 2.012 10 0 AEAERN CC(C)[C@H](O)C(=O)c1ccc(F)cc1 224715675 344472447 /nfs/dbraw/zinc/47/24/47/344472447.db2.gz NKHLTUABUBRCJW-JTQLQIEISA-N 0 0 196.221 2.025 10 0 AEAERN CC(C)[C@@H](O)C(=O)c1ccc(F)cc1 224715721 344472567 /nfs/dbraw/zinc/47/25/67/344472567.db2.gz NKHLTUABUBRCJW-SNVBAGLBSA-N 0 0 196.221 2.025 10 0 AEAERN CCOCCSCC(C)C 224781097 344473518 /nfs/dbraw/zinc/47/35/18/344473518.db2.gz BZVPGGLJNCQNPU-UHFFFAOYSA-N 0 0 162.298 2.412 10 0 AEAERN CC(=O)C1(CC2CC2)CC1 224874867 344474325 /nfs/dbraw/zinc/47/43/25/344474325.db2.gz QRANMURMXHWKGM-UHFFFAOYSA-N 0 0 138.210 2.156 10 0 AEAERN C=Cc1ccc(C(=O)OC)c(OC)c1 224853716 344474346 /nfs/dbraw/zinc/47/43/46/344474346.db2.gz BZKVQIULTNFKQW-UHFFFAOYSA-N 0 0 192.214 2.125 10 0 AEAERN CCC(=O)[C@@H](C)[C@@H]1CCCOC1 224930349 344474452 /nfs/dbraw/zinc/47/44/52/344474452.db2.gz AUVQZFVXEDMGIS-DTWKUNHWSA-N 0 0 170.252 2.028 10 0 AEAERN O=C1CCCC[C@@H]1[C@@H]1CCCOC1 224928037 344474462 /nfs/dbraw/zinc/47/44/62/344474462.db2.gz FYLOQCAQAXYBQZ-NXEZZACHSA-N 0 0 182.263 2.172 10 0 AEAERN CCC(=O)[C@@H](C)[C@H]1CCCOC1 224930429 344474567 /nfs/dbraw/zinc/47/45/67/344474567.db2.gz AUVQZFVXEDMGIS-IUCAKERBSA-N 0 0 170.252 2.028 10 0 AEAERN O=C1CCCC[C@H]1[C@H]1CCCOC1 224928157 344474586 /nfs/dbraw/zinc/47/45/86/344474586.db2.gz FYLOQCAQAXYBQZ-UWVGGRQHSA-N 0 0 182.263 2.172 10 0 AEAERN O=C1CCCC[C@H]1[C@@H]1CCCOC1 224928079 344474622 /nfs/dbraw/zinc/47/46/22/344474622.db2.gz FYLOQCAQAXYBQZ-ZJUUUORDSA-N 0 0 182.263 2.172 10 0 AEAERN CN1C(=O)C[C@@H]2C1=CCCC2(C)C 224938423 344474642 /nfs/dbraw/zinc/47/46/42/344474642.db2.gz RPVWDZBOIHWCAS-MRVPVSSYSA-N 0 0 179.263 2.169 10 0 AEAERN CCC(=O)[C@H](C)[C@@H]1CCCOC1 224930385 344474645 /nfs/dbraw/zinc/47/46/45/344474645.db2.gz AUVQZFVXEDMGIS-RKDXNWHRSA-N 0 0 170.252 2.028 10 0 AEAERN CN1C(=O)C[C@H]2C1=CCCC2(C)C 224938388 344474684 /nfs/dbraw/zinc/47/46/84/344474684.db2.gz RPVWDZBOIHWCAS-QMMMGPOBSA-N 0 0 179.263 2.169 10 0 AEAERN CCC(=O)[C@H](C)[C@H]1CCCOC1 224930467 344474690 /nfs/dbraw/zinc/47/46/90/344474690.db2.gz AUVQZFVXEDMGIS-BDAKNGLRSA-N 0 0 170.252 2.028 10 0 AEAERN C[C@@H]1CCC(=O)[C@H]([C@@H]2CCCOC2)C1 224929011 344474744 /nfs/dbraw/zinc/47/47/44/344474744.db2.gz SEVOIQJXLJYPJX-MXWKQRLJSA-N 0 0 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192.049 2.012 10 0 AEAERN C[C@@H]1CCCC[C@]12C[C@@H](O)CCO2 226566529 344506722 /nfs/dbraw/zinc/50/67/22/344506722.db2.gz TYQYGVHJJIPDQC-VWYCJHECSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@@H]1CCC[C@@]2(C[C@@H](O)CCO2)C1 226566702 344506749 /nfs/dbraw/zinc/50/67/49/344506749.db2.gz YLYNVNZHVMYALI-VWYCJHECSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@@H]1CCCC[C@@]12C[C@@H](O)CCO2 226566518 344506802 /nfs/dbraw/zinc/50/68/02/344506802.db2.gz TYQYGVHJJIPDQC-OUAUKWLOSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@@H]1CCC[C@]2(C[C@@H](O)CCO2)C1 226566692 344506881 /nfs/dbraw/zinc/50/68/81/344506881.db2.gz YLYNVNZHVMYALI-OUAUKWLOSA-N 0 0 184.279 2.107 10 0 AEAERN CSCC(=O)[C@@H]1CCC[C@@H]1C 226600090 344507720 /nfs/dbraw/zinc/50/77/20/344507720.db2.gz GIPZWIGOGNVFFC-JGVFFNPUSA-N 0 0 172.293 2.355 10 0 AEAERN Cc1c(N)n[nH]c1[C@H]1CCC[C@@H]1C 226595621 344507722 /nfs/dbraw/zinc/50/77/22/344507722.db2.gz KLWYSYRCMXNBSI-XPUUQOCRSA-N 0 0 179.267 2.204 10 0 AEAERN Cc1c(N)n[nH]c1[C@H]1CCC[C@H]1C 226595630 344507778 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/nfs/dbraw/zinc/53/56/30/344535630.db2.gz KBFAIKBXNXGGDU-UHFFFAOYSA-N 0 0 173.219 2.089 10 0 AEAERN C/C=C/COc1ccnc(F)c1 227638527 344540847 /nfs/dbraw/zinc/54/08/47/344540847.db2.gz CVIIRJRRFLUOFP-NSCUHMNNSA-N 0 0 167.183 2.176 10 0 AEAERN Fc1cc(NCc2ccco2)ccn1 227639706 344540851 /nfs/dbraw/zinc/54/08/51/344540851.db2.gz IVTNYDGMBNTQKO-UHFFFAOYSA-N 0 0 192.193 2.426 10 0 AEAERN CC(C)CNc1ccnc(F)c1 227639742 344540855 /nfs/dbraw/zinc/54/08/55/344540855.db2.gz JPFKLNRIEDACFN-UHFFFAOYSA-N 0 0 168.215 2.289 10 0 AEAERN Fc1cc(Oc2cccnc2)ccn1 227638335 344540900 /nfs/dbraw/zinc/54/09/00/344540900.db2.gz HJLOVCRTNWXRMD-UHFFFAOYSA-N 0 0 190.177 2.408 10 0 AEAERN CC[C@@H](C)Nc1ccnc(F)c1 227639721 344540924 /nfs/dbraw/zinc/54/09/24/344540924.db2.gz TWEARYCGPPEXEJ-SSDOTTSWSA-N 0 0 168.215 2.431 10 0 AEAERN CC(C)N(C)c1ccnc(F)c1 227639592 344540942 /nfs/dbraw/zinc/54/09/42/344540942.db2.gz COUUKXHZYYGUNF-UHFFFAOYSA-N 0 0 168.215 2.065 10 0 AEAERN CCCNc1ccnc(F)c1 227639694 344540943 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/nfs/dbraw/zinc/54/09/88/344540988.db2.gz LWKAVZDJSDQFSO-UHFFFAOYSA-N 0 0 182.242 2.457 10 0 AEAERN CC(C)COc1ccnc(F)c1 227637685 344541011 /nfs/dbraw/zinc/54/10/11/344541011.db2.gz QHPMXCIWGYFSSM-UHFFFAOYSA-N 0 0 169.199 2.256 10 0 AEAERN CC(C)(C)Nc1ccnc(F)c1 227639205 344541013 /nfs/dbraw/zinc/54/10/13/344541013.db2.gz CVYJAEZALDDFJM-UHFFFAOYSA-N 0 0 168.215 2.431 10 0 AEAERN Cc1cc(Oc2ccnc(F)c2)n[nH]1 227638855 344541017 /nfs/dbraw/zinc/54/10/17/344541017.db2.gz ZOXLAHQGCWAVNB-UHFFFAOYSA-N 0 0 193.181 2.045 10 0 AEAERN CCN(CC)c1ccnc(F)c1 227639506 344541060 /nfs/dbraw/zinc/54/10/60/344541060.db2.gz SIAVJAANHTWZJF-UHFFFAOYSA-N 0 0 168.215 2.067 10 0 AEAERN C[C@@H]1C[C@H]1Nc1ccnc(F)c1 227643387 344541189 /nfs/dbraw/zinc/54/11/89/344541189.db2.gz IFVKMPCEMFAFAP-HTRCEHHLSA-N 0 0 166.199 2.041 10 0 AEAERN C[C@H](Nc1ccnc(F)c1)C1CC1 227640603 344541195 /nfs/dbraw/zinc/54/11/95/344541195.db2.gz HNGBRAVYDBCAEO-ZETCQYMHSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@@H](Nc1ccnc(F)c1)C1CC1 227640599 344541205 /nfs/dbraw/zinc/54/12/05/344541205.db2.gz HNGBRAVYDBCAEO-SSDOTTSWSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@H]1CCN(c2ccnc(F)c2)C1 227641197 344541206 /nfs/dbraw/zinc/54/12/06/344541206.db2.gz PXOONEQLPFRJEK-QMMMGPOBSA-N 0 0 180.226 2.067 10 0 AEAERN Fc1cc(NC2CCC2)ccn1 227643369 344541208 /nfs/dbraw/zinc/54/12/08/344541208.db2.gz AAOFVLDXAZVSOW-UHFFFAOYSA-N 0 0 166.199 2.185 10 0 AEAERN CCCN(C)c1ccnc(F)c1 227640236 344541212 /nfs/dbraw/zinc/54/12/12/344541212.db2.gz GZTGKRRZEYMUTB-UHFFFAOYSA-N 0 0 168.215 2.067 10 0 AEAERN Fc1cc(NCC2CCC2)ccn1 227640324 344541240 /nfs/dbraw/zinc/54/12/40/344541240.db2.gz VXKFDOHMMHLVDH-UHFFFAOYSA-N 0 0 180.226 2.433 10 0 AEAERN CC1(C)C[C@H]1Nc1ccnc(F)c1 227643010 344541249 /nfs/dbraw/zinc/54/12/49/344541249.db2.gz BNWOKXZHCLOJQI-MRVPVSSYSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@H]1C[C@@H]1Nc1ccnc(F)c1 227643381 344541262 /nfs/dbraw/zinc/54/12/62/344541262.db2.gz IFVKMPCEMFAFAP-XPUUQOCRSA-N 0 0 166.199 2.041 10 0 AEAERN C[C@@H]1C[C@@H]1CN(C)c1ccnc(F)c1 227644305 344541268 /nfs/dbraw/zinc/54/12/68/344541268.db2.gz NWCOFXFNWHLUAU-RKDXNWHRSA-N 0 0 194.253 2.313 10 0 AEAERN C[C@H]1C[C@H]1Nc1ccnc(F)c1 227643393 344541285 /nfs/dbraw/zinc/54/12/85/344541285.db2.gz IFVKMPCEMFAFAP-POYBYMJQSA-N 0 0 166.199 2.041 10 0 AEAERN CCCCNc1ccnc(F)c1 227639850 344541308 /nfs/dbraw/zinc/54/13/08/344541308.db2.gz CAGXUCHBKJSVQB-UHFFFAOYSA-N 0 0 168.215 2.433 10 0 AEAERN C[C@H]1CCCN1c1ccnc(F)c1 227641105 344541318 /nfs/dbraw/zinc/54/13/18/344541318.db2.gz LOGXDKLQJHSLLV-QMMMGPOBSA-N 0 0 180.226 2.209 10 0 AEAERN C[C@@H]1C[C@@H]1Nc1ccnc(F)c1 227643377 344541321 /nfs/dbraw/zinc/54/13/21/344541321.db2.gz IFVKMPCEMFAFAP-SVRRBLITSA-N 0 0 166.199 2.041 10 0 AEAERN CN(CC1CC1)c1ccnc(F)c1 227641123 344541325 /nfs/dbraw/zinc/54/13/25/344541325.db2.gz FYMZYMYISMMHMF-UHFFFAOYSA-N 0 0 180.226 2.067 10 0 AEAERN Fc1cc(NCC(F)(F)F)ccn1 227639932 344541342 /nfs/dbraw/zinc/54/13/42/344541342.db2.gz PGRVYXREFXOPHN-UHFFFAOYSA-N 0 0 194.131 2.195 10 0 AEAERN C[C@@H]1CCCN1c1ccnc(F)c1 227641100 344541372 /nfs/dbraw/zinc/54/13/72/344541372.db2.gz LOGXDKLQJHSLLV-MRVPVSSYSA-N 0 0 180.226 2.209 10 0 AEAERN C[C@H](C1CC1)N(C)c1ccnc(F)c1 227640818 344541395 /nfs/dbraw/zinc/54/13/95/344541395.db2.gz ZRGOKPJSPKIEMB-MRVPVSSYSA-N 0 0 194.253 2.455 10 0 AEAERN C[C@H]1C[C@@H]1CN(C)c1ccnc(F)c1 227644311 344541398 /nfs/dbraw/zinc/54/13/98/344541398.db2.gz NWCOFXFNWHLUAU-DTWKUNHWSA-N 0 0 194.253 2.313 10 0 AEAERN CC1(C)C[C@@H]1Nc1ccnc(F)c1 227643007 344541407 /nfs/dbraw/zinc/54/14/07/344541407.db2.gz BNWOKXZHCLOJQI-QMMMGPOBSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@@H](C1CC1)N(C)c1ccnc(F)c1 227640814 344541430 /nfs/dbraw/zinc/54/14/30/344541430.db2.gz ZRGOKPJSPKIEMB-QMMMGPOBSA-N 0 0 194.253 2.455 10 0 AEAERN C[C@@H]1CCN(c2ccnc(F)c2)C1 227641192 344541443 /nfs/dbraw/zinc/54/14/43/344541443.db2.gz PXOONEQLPFRJEK-MRVPVSSYSA-N 0 0 180.226 2.067 10 0 AEAERN C[C@@H]1C[C@H]1CN(C)c1ccnc(F)c1 227644316 344541451 /nfs/dbraw/zinc/54/14/51/344541451.db2.gz 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/nfs/dbraw/zinc/54/46/29/344544629.db2.gz KJFHEOJYPYTUNI-UHFFFAOYSA-N 0 0 193.637 2.136 10 0 AEAERN NNc1ccnc(-c2ccsc2)c1 227694741 344544663 /nfs/dbraw/zinc/54/46/63/344544663.db2.gz FVPCWODZGCHDDN-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN NNc1ccnc(-c2ccccc2)c1 227694336 344544753 /nfs/dbraw/zinc/54/47/53/344544753.db2.gz YABYCNFXFBWZRW-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CCN(C)c1ccnc(Cl)c1 227685796 344544930 /nfs/dbraw/zinc/54/49/30/344544930.db2.gz RAIBHIVLDFORLE-UHFFFAOYSA-N 0 0 170.643 2.191 10 0 AEAERN CN(c1ccnc(Cl)c1)C1CC1 227685811 344544950 /nfs/dbraw/zinc/54/49/50/344544950.db2.gz UCPPJSYOCLTBIN-UHFFFAOYSA-N 0 0 182.654 2.334 10 0 AEAERN NNc1ccnc(-c2cccs2)c1 227694437 344544996 /nfs/dbraw/zinc/54/49/96/344544996.db2.gz SMVVQTGJFUCIRM-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cn1nccc1-c1cc(Cl)ccn1 227693755 344545076 /nfs/dbraw/zinc/54/50/76/344545076.db2.gz WUCRNPRGQGKALN-UHFFFAOYSA-N 0 0 193.637 2.136 10 0 AEAERN O[C@@H]1CCC[C@H](Cn2cccc2)C1 227726183 344545244 /nfs/dbraw/zinc/54/52/44/344545244.db2.gz QGNVHBRFZPGXMU-WDEREUQCSA-N 0 0 179.263 2.039 10 0 AEAERN O[C@H]1CCC[C@H](Cn2cccc2)C1 227726189 344545420 /nfs/dbraw/zinc/54/54/20/344545420.db2.gz QGNVHBRFZPGXMU-QWRGUYRKSA-N 0 0 179.263 2.039 10 0 AEAERN O[C@@H]1CCC[C@@H](Cn2cccc2)C1 227726175 344545548 /nfs/dbraw/zinc/54/55/48/344545548.db2.gz QGNVHBRFZPGXMU-GHMZBOCLSA-N 0 0 179.263 2.039 10 0 AEAERN O[C@H]1CCC[C@@H](Cn2cccc2)C1 227726179 344545598 /nfs/dbraw/zinc/54/55/98/344545598.db2.gz QGNVHBRFZPGXMU-MNOVXSKESA-N 0 0 179.263 2.039 10 0 AEAERN C[C@H]1CNc2ccccc2N1CCF 227741377 344545805 /nfs/dbraw/zinc/54/58/05/344545805.db2.gz ZVCQREFLHSLAIT-VIFPVBQESA-N 0 0 194.253 2.277 10 0 AEAERN Cc1sccc1C1(O)CCOCC1 227746225 344545875 /nfs/dbraw/zinc/54/58/75/344545875.db2.gz UYUVZOGIPJYZRO-UHFFFAOYSA-N 0 0 198.287 2.055 10 0 AEAERN C[C@@H]1CNc2ccccc2N1CCF 227741370 344545893 /nfs/dbraw/zinc/54/58/93/344545893.db2.gz ZVCQREFLHSLAIT-SECBINFHSA-N 0 0 194.253 2.277 10 0 AEAERN CC(C)(Nc1ncc(F)cn1)C1CC1 227758695 344546582 /nfs/dbraw/zinc/54/65/82/344546582.db2.gz SVYFWEDVJLGGET-UHFFFAOYSA-N 0 0 195.241 2.216 10 0 AEAERN Cc1sccc1C(=O)[C@@H]1CCOC1 227773018 344547038 /nfs/dbraw/zinc/54/70/38/344547038.db2.gz KXJIYRPXUVRCTR-MRVPVSSYSA-N 0 0 196.271 2.276 10 0 AEAERN C[C@H](O)[C@@H](C)O[C@H]1CCC[C@@H](C)C1 227771345 344547045 /nfs/dbraw/zinc/54/70/45/344547045.db2.gz KXERYPHNVLTZGX-YTWAJWBKSA-N 0 0 186.295 2.351 10 0 AEAERN CC[C@H]1C[C@@H]1Nc1ncccc1F 227776297 344547088 /nfs/dbraw/zinc/54/70/88/344547088.db2.gz GTOBYDDBUPHBMZ-CBAPKCEASA-N 0 0 180.226 2.431 10 0 AEAERN CC[C@@H]1C[C@H]1Nc1ncccc1F 227776303 344547096 /nfs/dbraw/zinc/54/70/96/344547096.db2.gz GTOBYDDBUPHBMZ-VXNVDRBHSA-N 0 0 180.226 2.431 10 0 AEAERN CC[C@@H]1C[C@@H]1Nc1ncccc1F 227776293 344547101 /nfs/dbraw/zinc/54/71/01/344547101.db2.gz GTOBYDDBUPHBMZ-APPZFPTMSA-N 0 0 180.226 2.431 10 0 AEAERN Cc1sccc1C(=O)[C@H]1CCCO1 227773012 344547119 /nfs/dbraw/zinc/54/71/19/344547119.db2.gz UFRHHQOLBITJCK-SECBINFHSA-N 0 0 196.271 2.418 10 0 AEAERN CCC1(CNc2cccnn2)CCC1 227777696 344547148 /nfs/dbraw/zinc/54/71/48/344547148.db2.gz FHYDPDMJNVELGV-UHFFFAOYSA-N 0 0 191.278 2.469 10 0 AEAERN CSC[C@H](O)c1ccsc1C 227777487 344547151 /nfs/dbraw/zinc/54/71/51/344547151.db2.gz MHCKYTRHCKNIPK-QMMMGPOBSA-N 0 0 188.317 2.453 10 0 AEAERN C[C@@H]1CCC[C@H](O[C@H](C)[C@@H](C)O)C1 227771334 344547195 /nfs/dbraw/zinc/54/71/95/344547195.db2.gz KXERYPHNVLTZGX-DBIOUOCHSA-N 0 0 186.295 2.351 10 0 AEAERN CC[C@H]1C[C@H]1Nc1ncccc1F 227776308 344547208 /nfs/dbraw/zinc/54/72/08/344547208.db2.gz GTOBYDDBUPHBMZ-IONNQARKSA-N 0 0 180.226 2.431 10 0 AEAERN Cc1sccc1C(=O)[C@H]1CCOC1 227773022 344547226 /nfs/dbraw/zinc/54/72/26/344547226.db2.gz KXJIYRPXUVRCTR-QMMMGPOBSA-N 0 0 196.271 2.276 10 0 AEAERN Cc1sccc1C(=O)[C@@H]1CCCO1 227773005 344547235 /nfs/dbraw/zinc/54/72/35/344547235.db2.gz UFRHHQOLBITJCK-VIFPVBQESA-N 0 0 196.271 2.418 10 0 AEAERN CSC[C@@H](O)c1ccsc1C 227777481 344547236 /nfs/dbraw/zinc/54/72/36/344547236.db2.gz MHCKYTRHCKNIPK-MRVPVSSYSA-N 0 0 188.317 2.453 10 0 AEAERN Cc1sccc1C(=O)c1ncc[nH]1 227774734 344547322 /nfs/dbraw/zinc/54/73/22/344547322.db2.gz GHURBXIHTWEVDN-UHFFFAOYSA-N 0 0 192.243 2.011 10 0 AEAERN CC[C@H](C)C1(O)C[C@H](C)O[C@@H](C)C1 227790801 344547705 /nfs/dbraw/zinc/54/77/05/344547705.db2.gz NPAZVGFKXMRCIP-GUBZILKMSA-N 0 0 186.295 2.351 10 0 AEAERN Cc1sccc1-c1cnc(N)cn1 227808613 344548182 /nfs/dbraw/zinc/54/81/82/344548182.db2.gz CEJUFCQYIVVMBU-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1sccc1-c1ccc(N)nn1 227809064 344548456 /nfs/dbraw/zinc/54/84/56/344548456.db2.gz XESCKFKSUSNGRC-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1sccc1-c1nccc(N)n1 227809214 344548601 /nfs/dbraw/zinc/54/86/01/344548601.db2.gz FPNQBMJFIUAFOF-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1sccc1CC[C@H](C)O 227856410 344549302 /nfs/dbraw/zinc/54/93/02/344549302.db2.gz GYTICEKYJMMLII-ZETCQYMHSA-N 0 0 170.277 2.370 10 0 AEAERN Cc1sccc1CC[C@@H](C)O 227856404 344549340 /nfs/dbraw/zinc/54/93/40/344549340.db2.gz GYTICEKYJMMLII-SSDOTTSWSA-N 0 0 170.277 2.370 10 0 AEAERN Cc1sccc1[C@H](F)C[NH3+] 227877481 344549351 /nfs/dbraw/zinc/54/93/51/344549351.db2.gz UIKBQEUFXBYFRB-SSDOTTSWSA-N 0 0 159.229 2.026 10 0 AEAERN Cc1sccc1[C@@H](F)C[NH3+] 227877478 344549387 /nfs/dbraw/zinc/54/93/87/344549387.db2.gz UIKBQEUFXBYFRB-ZETCQYMHSA-N 0 0 159.229 2.026 10 0 AEAERN COc1cc(SC)c(F)cc1N 227857036 344549393 /nfs/dbraw/zinc/54/93/93/344549393.db2.gz XEOMKGROZOCZBL-UHFFFAOYSA-N 0 0 187.239 2.138 10 0 AEAERN NNC[C@@H]1CC[C@H]2CCCC[C@@H]2C1 227880266 344549954 /nfs/dbraw/zinc/54/99/54/344549954.db2.gz DHZKQMPRAJYAJS-GMTAPVOTSA-N 0 0 182.311 2.056 10 0 AEAERN Cc1sccc1[C@H](NN)C1(C)CC1 227927006 344550401 /nfs/dbraw/zinc/55/04/01/344550401.db2.gz KMTCVZZAPJESJH-VIFPVBQESA-N 0 0 196.319 2.361 10 0 AEAERN Cc1sccc1[C@@H](NN)C1(C)CC1 227927002 344550711 /nfs/dbraw/zinc/55/07/11/344550711.db2.gz KMTCVZZAPJESJH-SECBINFHSA-N 0 0 196.319 2.361 10 0 AEAERN CC[C@H](C)[C@@H](O)c1cncc(C)c1 227943798 344551703 /nfs/dbraw/zinc/55/17/03/344551703.db2.gz IOVJEAJUMLOEMT-GXSJLCMTSA-N 0 0 179.263 2.470 10 0 AEAERN Cc1cncc([C@]2(O)CCC[C@@H]2C)c1 227944999 344551675 /nfs/dbraw/zinc/55/16/75/344551675.db2.gz FFCFSRYHXONBFW-JQWIXIFHSA-N 0 0 191.274 2.398 10 0 AEAERN Cc1cncc([C@@]2(O)CC[C@H](C)C2)c1 227944715 344551678 /nfs/dbraw/zinc/55/16/78/344551678.db2.gz ADZVFLHHQLGKND-JOYOIKCWSA-N 0 0 191.274 2.398 10 0 AEAERN Cc1cncc([C@](C)(O)C2(C)CC2)c1 227946145 344551685 /nfs/dbraw/zinc/55/16/85/344551685.db2.gz SNNGJLNUURZNSC-LBPRGKRZSA-N 0 0 191.274 2.398 10 0 AEAERN CCC[C@@H](O)c1cncc(C)c1 227944062 344551694 /nfs/dbraw/zinc/55/16/94/344551694.db2.gz IRJYMWIQJYCYPX-SNVBAGLBSA-N 0 0 165.236 2.224 10 0 AEAERN Cc1cncc([C@@H](O)c2ccco2)c1 227943098 344551699 /nfs/dbraw/zinc/55/16/99/344551699.db2.gz FMTUOGIUBTWBNH-LLVKDONJSA-N 0 0 189.214 2.065 10 0 AEAERN Cc1cncc([C@@](C)(O)C2(C)CC2)c1 227946135 344551728 /nfs/dbraw/zinc/55/17/28/344551728.db2.gz SNNGJLNUURZNSC-GFCCVEGCSA-N 0 0 191.274 2.398 10 0 AEAERN Cc1cncc([C@H](O)C2CCC2)c1 227946212 344551746 /nfs/dbraw/zinc/55/17/46/344551746.db2.gz PUKRFHJEYMYSSB-LLVKDONJSA-N 0 0 177.247 2.224 10 0 AEAERN Cc1cncc([C@](C)(O)C2CC2)c1 227942664 344551750 /nfs/dbraw/zinc/55/17/50/344551750.db2.gz HNRLSSOGRINBTF-LLVKDONJSA-N 0 0 177.247 2.008 10 0 AEAERN Cc1cncc([C@]2(O)CCC[C@H]2C)c1 227945017 344551802 /nfs/dbraw/zinc/55/18/02/344551802.db2.gz FFCFSRYHXONBFW-PWSUYJOCSA-N 0 0 191.274 2.398 10 0 AEAERN Cc1cncc([C@]2(O)CC[C@H](C)C2)c1 227944723 344551806 /nfs/dbraw/zinc/55/18/06/344551806.db2.gz ADZVFLHHQLGKND-CABZTGNLSA-N 0 0 191.274 2.398 10 0 AEAERN CC[C@@H](C)[C@@H](O)c1cncc(C)c1 227943786 344551834 /nfs/dbraw/zinc/55/18/34/344551834.db2.gz IOVJEAJUMLOEMT-MWLCHTKSSA-N 0 0 179.263 2.470 10 0 AEAERN CC[C@H](C)[C@H](O)c1cncc(C)c1 227943817 344551865 /nfs/dbraw/zinc/55/18/65/344551865.db2.gz IOVJEAJUMLOEMT-ONGXEEELSA-N 0 0 179.263 2.470 10 0 AEAERN Cc1cncc([C@@H](O)C(C)C)c1 227943357 344551886 /nfs/dbraw/zinc/55/18/86/344551886.db2.gz KZAODRKGTPXFSM-JTQLQIEISA-N 0 0 165.236 2.079 10 0 AEAERN CC[C@@H](C)[C@H](O)c1cncc(C)c1 227943808 344551890 /nfs/dbraw/zinc/55/18/90/344551890.db2.gz IOVJEAJUMLOEMT-KOLCDFICSA-N 0 0 179.263 2.470 10 0 AEAERN CCC[C@](C)(O)c1cncc(C)c1 227946228 344551904 /nfs/dbraw/zinc/55/19/04/344551904.db2.gz FRQCSBWQUPCICJ-NSHDSACASA-N 0 0 179.263 2.398 10 0 AEAERN Cc1cncc([C@@H](O)C2CCC2)c1 227946204 344551918 /nfs/dbraw/zinc/55/19/18/344551918.db2.gz PUKRFHJEYMYSSB-NSHDSACASA-N 0 0 177.247 2.224 10 0 AEAERN Cc1cncc([C@@]2(O)CCC[C@@H]2C)c1 227944990 344551929 /nfs/dbraw/zinc/55/19/29/344551929.db2.gz FFCFSRYHXONBFW-CMPLNLGQSA-N 0 0 191.274 2.398 10 0 AEAERN Cc1cncc([C@@]2(O)CCC[C@H]2C)c1 227945007 344551941 /nfs/dbraw/zinc/55/19/41/344551941.db2.gz FFCFSRYHXONBFW-ZYHUDNBSSA-N 0 0 191.274 2.398 10 0 AEAERN CCC[C@@](C)(O)c1cncc(C)c1 227946220 344551947 /nfs/dbraw/zinc/55/19/47/344551947.db2.gz FRQCSBWQUPCICJ-LLVKDONJSA-N 0 0 179.263 2.398 10 0 AEAERN Cc1cncc([C@H](O)C(C)C)c1 227943363 344551955 /nfs/dbraw/zinc/55/19/55/344551955.db2.gz KZAODRKGTPXFSM-SNVBAGLBSA-N 0 0 165.236 2.079 10 0 AEAERN Cc1cncc([C@@]2(O)CC[C@@H](C)C2)c1 227944697 344551959 /nfs/dbraw/zinc/55/19/59/344551959.db2.gz ADZVFLHHQLGKND-BXKDBHETSA-N 0 0 191.274 2.398 10 0 AEAERN Cc1cncc([C@@H](O)C(C)(C)C)c1 227944293 344551963 /nfs/dbraw/zinc/55/19/63/344551963.db2.gz MTMDSUTZAZAIHK-SNVBAGLBSA-N 0 0 179.263 2.470 10 0 AEAERN CCC[C@H](O)c1cncc(C)c1 227944070 344551972 /nfs/dbraw/zinc/55/19/72/344551972.db2.gz IRJYMWIQJYCYPX-JTQLQIEISA-N 0 0 165.236 2.224 10 0 AEAERN Cc1cncc([C@]2(O)CC[C@@H](C)C2)c1 227944709 344551976 /nfs/dbraw/zinc/55/19/76/344551976.db2.gz ADZVFLHHQLGKND-SKDRFNHKSA-N 0 0 191.274 2.398 10 0 AEAERN Cc1cncc([C@H](O)c2ccco2)c1 227943105 344551986 /nfs/dbraw/zinc/55/19/86/344551986.db2.gz FMTUOGIUBTWBNH-NSHDSACASA-N 0 0 189.214 2.065 10 0 AEAERN Cc1cncc([C@H](O)C(C)(C)C)c1 227944304 344551991 /nfs/dbraw/zinc/55/19/91/344551991.db2.gz MTMDSUTZAZAIHK-JTQLQIEISA-N 0 0 179.263 2.470 10 0 AEAERN Cc1cncc([C@@](C)(O)C2CC2)c1 227942655 344552029 /nfs/dbraw/zinc/55/20/29/344552029.db2.gz HNRLSSOGRINBTF-NSHDSACASA-N 0 0 177.247 2.008 10 0 AEAERN Cc1cncc(C(=O)C2CCC2)c1 227948630 344552253 /nfs/dbraw/zinc/55/22/53/344552253.db2.gz KMGJLSBDPIQMCI-UHFFFAOYSA-N 0 0 175.231 2.373 10 0 AEAERN Cc1cncc([C@H](O)C2(C)CC2)c1 227951888 344552290 /nfs/dbraw/zinc/55/22/90/344552290.db2.gz BUBFQTDBXZNWJX-JTQLQIEISA-N 0 0 177.247 2.224 10 0 AEAERN Cc1cncc([C@@H](O)C2(C)CC2)c1 227951878 344552299 /nfs/dbraw/zinc/55/22/99/344552299.db2.gz BUBFQTDBXZNWJX-SNVBAGLBSA-N 0 0 177.247 2.224 10 0 AEAERN Cc1cncc(C(=O)c2ccoc2)c1 227948502 344552301 /nfs/dbraw/zinc/55/23/01/344552301.db2.gz QFMVBEBSCSZPQS-UHFFFAOYSA-N 0 0 187.198 2.214 10 0 AEAERN Cc1cncc(C(=O)c2ccco2)c1 227948306 344552404 /nfs/dbraw/zinc/55/24/04/344552404.db2.gz KDZCJYWHRSOYTN-UHFFFAOYSA-N 0 0 187.198 2.214 10 0 AEAERN Cc1cncc(C(=O)c2ccncc2)c1 227947813 344552447 /nfs/dbraw/zinc/55/24/47/344552447.db2.gz DUVHNGVAHIFHJP-UHFFFAOYSA-N 0 0 198.225 2.016 10 0 AEAERN Cc1cncc(C(=O)c2ccccn2)c1 227947782 344552550 /nfs/dbraw/zinc/55/25/50/344552550.db2.gz RCYZTBKCFKYKJD-UHFFFAOYSA-N 0 0 198.225 2.016 10 0 AEAERN Cc1cncc(C(=O)C2(C)CC2)c1 227949549 344552567 /nfs/dbraw/zinc/55/25/67/344552567.db2.gz BXEODLRFJKTZHC-UHFFFAOYSA-N 0 0 175.231 2.373 10 0 AEAERN Cc1cncc([C@@H](N)c2ccco2)c1 227955098 344552878 /nfs/dbraw/zinc/55/28/78/344552878.db2.gz ONRJMCZNPOCAMJ-LLVKDONJSA-N 0 0 188.230 2.031 10 0 AEAERN Cc1cncc(-c2cccnc2N)c1 227963506 344553011 /nfs/dbraw/zinc/55/30/11/344553011.db2.gz FPTDRRVFJFUWNM-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1cncc([C@H](N)c2ccco2)c1 227955105 344553082 /nfs/dbraw/zinc/55/30/82/344553082.db2.gz ONRJMCZNPOCAMJ-NSHDSACASA-N 0 0 188.230 2.031 10 0 AEAERN Cc1cncc(-c2cnc(N)s2)c1 227963446 344553088 /nfs/dbraw/zinc/55/30/88/344553088.db2.gz JMKBHQNUYCQUKU-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1cncc([C@H]2CCC[C@@H]2O)c1 227965478 344553428 /nfs/dbraw/zinc/55/34/28/344553428.db2.gz BFYQKFAELZPLLX-MNOVXSKESA-N 0 0 177.247 2.018 10 0 AEAERN Cc1cncc([C@@H]2CCCC[C@@H]2O)c1 227965391 344553448 /nfs/dbraw/zinc/55/34/48/344553448.db2.gz DNRWUFAQLHJGEP-RYUDHWBXSA-N 0 0 191.274 2.409 10 0 AEAERN Cc1cncc([C@@H]2CCC(=O)C2)c1 227968432 344553535 /nfs/dbraw/zinc/55/35/35/344553535.db2.gz NNZDTXRPSZNGBM-SECBINFHSA-N 0 0 175.231 2.227 10 0 AEAERN Cc1cncc(C(C)(C)C[C@@H](C)O)c1 227970511 344553597 /nfs/dbraw/zinc/55/35/97/344553597.db2.gz YIGHDAXVXKEKSA-SNVBAGLBSA-N 0 0 193.290 2.439 10 0 AEAERN Cc1cncc([C@@H]2CCCC[C@H]2O)c1 227965408 344553628 /nfs/dbraw/zinc/55/36/28/344553628.db2.gz DNRWUFAQLHJGEP-NWDGAFQWSA-N 0 0 191.274 2.409 10 0 AEAERN Cc1cncc([C@H]2CCC(=O)C2)c1 227968438 344553640 /nfs/dbraw/zinc/55/36/40/344553640.db2.gz NNZDTXRPSZNGBM-VIFPVBQESA-N 0 0 175.231 2.227 10 0 AEAERN Cc1cncc([C@H]2CCCC[C@@H]2O)c1 227965399 344553661 /nfs/dbraw/zinc/55/36/61/344553661.db2.gz DNRWUFAQLHJGEP-NEPJUHHUSA-N 0 0 191.274 2.409 10 0 AEAERN Cc1cncc([C@@H]2CCC[C@@H]2O)c1 227965466 344553669 /nfs/dbraw/zinc/55/36/69/344553669.db2.gz BFYQKFAELZPLLX-QWRGUYRKSA-N 0 0 177.247 2.018 10 0 AEAERN Cc1cncc([C@H]2CCC[C@H]2O)c1 227965496 344553677 /nfs/dbraw/zinc/55/36/77/344553677.db2.gz BFYQKFAELZPLLX-GHMZBOCLSA-N 0 0 177.247 2.018 10 0 AEAERN Cc1cncc([C@H]2CCCC2=O)c1 227965594 344553708 /nfs/dbraw/zinc/55/37/08/344553708.db2.gz CFZCBGHBMFMSFH-SNVBAGLBSA-N 0 0 175.231 2.227 10 0 AEAERN Cc1cncc([C@H]2CCC(=O)[C@@H]2C)c1 227968631 344553719 /nfs/dbraw/zinc/55/37/19/344553719.db2.gz NMIXUKZSMDNBKT-KOLCDFICSA-N 0 0 189.258 2.473 10 0 AEAERN Cc1cncc([C@@H]2CCC(=O)[C@@H]2C)c1 227968620 344553727 /nfs/dbraw/zinc/55/37/27/344553727.db2.gz NMIXUKZSMDNBKT-MWLCHTKSSA-N 0 0 189.258 2.473 10 0 AEAERN Cc1cncc([C@@H]2CCC[C@H]2O)c1 227965485 344553734 /nfs/dbraw/zinc/55/37/34/344553734.db2.gz BFYQKFAELZPLLX-WDEREUQCSA-N 0 0 177.247 2.018 10 0 AEAERN Cc1cncc([C@@H]2CCC(=O)[C@H]2C)c1 227968641 344553746 /nfs/dbraw/zinc/55/37/46/344553746.db2.gz NMIXUKZSMDNBKT-GXSJLCMTSA-N 0 0 189.258 2.473 10 0 AEAERN CCn1ccnc1[C@@](C)(O)C(C)(C)C 227977255 344553986 /nfs/dbraw/zinc/55/39/86/344553986.db2.gz UILKCRBQQMDAAV-LLVKDONJSA-N 0 0 196.294 2.157 10 0 AEAERN CCn1nccc1[C@@](C)(O)C(C)(C)C 227976790 344554019 /nfs/dbraw/zinc/55/40/19/344554019.db2.gz PWNUYYKVSDGFPJ-LLVKDONJSA-N 0 0 196.294 2.157 10 0 AEAERN CCNc1ccc(C)c(N(C)C)c1 227983248 344554033 /nfs/dbraw/zinc/55/40/33/344554033.db2.gz NAUNJJRDQLJVOC-UHFFFAOYSA-N 0 0 178.279 2.493 10 0 AEAERN CCn1nccc1[C@](C)(O)C(C)(C)C 227976797 344554182 /nfs/dbraw/zinc/55/41/82/344554182.db2.gz PWNUYYKVSDGFPJ-NSHDSACASA-N 0 0 196.294 2.157 10 0 AEAERN CC(C)(C)[C@@](C)(O)Cc1nccs1 227976769 344554186 /nfs/dbraw/zinc/55/41/86/344554186.db2.gz CZDYWBLQSZELFY-JTQLQIEISA-N 0 0 199.319 2.483 10 0 AEAERN CC(C)(C)[C@](C)(O)Cc1nccs1 227976778 344554249 /nfs/dbraw/zinc/55/42/49/344554249.db2.gz CZDYWBLQSZELFY-SNVBAGLBSA-N 0 0 199.319 2.483 10 0 AEAERN CCn1ccnc1[C@](C)(O)C(C)(C)C 227977265 344554256 /nfs/dbraw/zinc/55/42/56/344554256.db2.gz UILKCRBQQMDAAV-NSHDSACASA-N 0 0 196.294 2.157 10 0 AEAERN COCc1c(C)nc2scc(C)n12 228005876 344554398 /nfs/dbraw/zinc/55/43/98/344554398.db2.gz NCPJKHHOFHLJDF-UHFFFAOYSA-N 0 0 196.275 2.159 10 0 AEAERN CCc1nc2sccn2c1C 228004270 344554373 /nfs/dbraw/zinc/55/43/73/344554373.db2.gz SADLDMUGMUYYAS-UHFFFAOYSA-N 0 0 166.249 2.267 10 0 AEAERN c1cnc2nc(C3CCCC3)cn2c1 228007262 344554397 /nfs/dbraw/zinc/55/43/97/344554397.db2.gz DDZSGSWJICAFIV-UHFFFAOYSA-N 0 0 187.246 2.387 10 0 AEAERN c1cn2c3c(nc2s1)CCSC3 228003692 344554410 /nfs/dbraw/zinc/55/44/10/344554410.db2.gz UMMQXJRDBIACBK-UHFFFAOYSA-N 0 0 196.300 2.185 10 0 AEAERN CCCc1nc2ncccn2c1CC 228006834 344554429 /nfs/dbraw/zinc/55/44/29/344554429.db2.gz YVZSOJYISCEJHZ-UHFFFAOYSA-N 0 0 189.262 2.244 10 0 AEAERN Cc1ccc(NCCF)cc1N(C)C 227989199 344554455 /nfs/dbraw/zinc/55/44/55/344554455.db2.gz TZVIEGBEEWGMRX-UHFFFAOYSA-N 0 0 196.269 2.442 10 0 AEAERN Cc1ccc(N)c(N2CCCCO2)c1 228001557 344554724 /nfs/dbraw/zinc/55/47/24/344554724.db2.gz LJZXGOILHFYUIS-UHFFFAOYSA-N 0 0 192.262 2.109 10 0 AEAERN CC1(c2cn3ccsc3n2)CC1 228004209 344554729 /nfs/dbraw/zinc/55/47/29/344554729.db2.gz PDZOYFSTXZHDHS-UHFFFAOYSA-N 0 0 178.260 2.447 10 0 AEAERN c1ccn2c3c(nc2c1)CCSC3 228002776 344554787 /nfs/dbraw/zinc/55/47/87/344554787.db2.gz HLXPNFVADHJPTO-UHFFFAOYSA-N 0 0 190.271 2.124 10 0 AEAERN CC[C@H](C)c1cn2cccnc2n1 228006363 344554835 /nfs/dbraw/zinc/55/48/35/344554835.db2.gz RORHKXGEERJKOK-QMMMGPOBSA-N 0 0 175.235 2.243 10 0 AEAERN CC[C@@H](C)c1cn2cccnc2n1 228006352 344554894 /nfs/dbraw/zinc/55/48/94/344554894.db2.gz RORHKXGEERJKOK-MRVPVSSYSA-N 0 0 175.235 2.243 10 0 AEAERN CCc1cnc2scc(C)n12 228005576 344554897 /nfs/dbraw/zinc/55/48/97/344554897.db2.gz ZVCRDHCJHJFINN-UHFFFAOYSA-N 0 0 166.249 2.267 10 0 AEAERN CCOC(=O)/C(C)=C1\CCCOCC1 227992252 344554903 /nfs/dbraw/zinc/55/49/03/344554903.db2.gz KPCSMCKLRBSPLZ-MDZDMXLPSA-N 0 0 198.262 2.067 10 0 AEAERN CCc1cnc2ccc(C)cn12 228010875 344555046 /nfs/dbraw/zinc/55/50/46/344555046.db2.gz ZSNVXMHQTZISLD-UHFFFAOYSA-N 0 0 160.220 2.205 10 0 AEAERN CCc1cnc2ccc(F)cn12 228020471 344555162 /nfs/dbraw/zinc/55/51/62/344555162.db2.gz ODAUNZUOJBIRJV-UHFFFAOYSA-N 0 0 164.183 2.036 10 0 AEAERN CCc1cnc2c(C)cccn12 228018180 344555328 /nfs/dbraw/zinc/55/53/28/344555328.db2.gz QSMGUBURAZBOTA-UHFFFAOYSA-N 0 0 160.220 2.205 10 0 AEAERN COCc1c(C)nc2c(C)cccn12 228017767 344555391 /nfs/dbraw/zinc/55/53/91/344555391.db2.gz MMWDGMAFCVYDQL-UHFFFAOYSA-N 0 0 190.246 2.098 10 0 AEAERN CCc1nc2nc(C)cc(C)n2c1C 228019630 344555481 /nfs/dbraw/zinc/55/54/81/344555481.db2.gz PNWNCSBPYVHIHT-UHFFFAOYSA-N 0 0 189.262 2.217 10 0 AEAERN CCc1cnc2cccc(C)n12 228013506 344555554 /nfs/dbraw/zinc/55/55/54/344555554.db2.gz XCGLKGNBMRHRQK-UHFFFAOYSA-N 0 0 160.220 2.205 10 0 AEAERN CCc1c(C)nc2ccc(F)cn12 228021103 344555584 /nfs/dbraw/zinc/55/55/84/344555584.db2.gz HYRGENLSBGJSDH-UHFFFAOYSA-N 0 0 178.210 2.344 10 0 AEAERN Fc1ccc2nc3c(n2c1)CCCC3 228020909 344555666 /nfs/dbraw/zinc/55/56/66/344555666.db2.gz POVVDTVDTJCEBQ-UHFFFAOYSA-N 0 0 190.221 2.352 10 0 AEAERN CCCc1cn2cccc(OC)c2n1 228023429 344555768 /nfs/dbraw/zinc/55/57/68/344555768.db2.gz RGXJZRZKASPKLB-UHFFFAOYSA-N 0 0 190.246 2.295 10 0 AEAERN Cc1ccc(NCC(F)F)c(N)c1 228031066 344555904 /nfs/dbraw/zinc/55/59/04/344555904.db2.gz JBPZYGZIZOPHEE-UHFFFAOYSA-N 0 0 186.205 2.254 10 0 AEAERN CCc1c(C)nc2c(OC)cccn12 228024066 344555971 /nfs/dbraw/zinc/55/59/71/344555971.db2.gz NNFRFEWECIFMDR-UHFFFAOYSA-N 0 0 190.246 2.214 10 0 AEAERN CCCc1nc2sccn2c1C=O 228026752 344556069 /nfs/dbraw/zinc/55/60/69/344556069.db2.gz XMHIQXDRYPXVRV-UHFFFAOYSA-N 0 0 194.259 2.161 10 0 AEAERN Nc1cc(F)cc(NCC(F)F)c1 228031052 344556095 /nfs/dbraw/zinc/55/60/95/344556095.db2.gz GEXLTMJJDYLSOO-UHFFFAOYSA-N 0 0 190.168 2.085 10 0 AEAERN Nc1c(F)cccc1NCC(F)F 228031118 344556290 /nfs/dbraw/zinc/55/62/90/344556290.db2.gz MJEFWBXJMYLTKA-UHFFFAOYSA-N 0 0 190.168 2.085 10 0 AEAERN COc1cccn2cc(C3CC3)nc12 228023583 344556299 /nfs/dbraw/zinc/55/62/99/344556299.db2.gz WCOYTNLBUOSINT-UHFFFAOYSA-N 0 0 188.230 2.220 10 0 AEAERN CC(C)[C@H](C)O[C@H]1C[C@@H](O)C1(C)C 228067230 344556509 /nfs/dbraw/zinc/55/65/09/344556509.db2.gz KUXOPRHVTGKFCE-AEJSXWLSSA-N 0 0 186.295 2.207 10 0 AEAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NO 228065249 344556573 /nfs/dbraw/zinc/55/65/73/344556573.db2.gz STNWSDBETBECQL-BBBLOLIVSA-N 0 0 171.284 2.426 10 0 AEAERN CC(C)[C@H](C)O[C@@H]1C[C@@H](O)C1(C)C 228067209 344556627 /nfs/dbraw/zinc/55/66/27/344556627.db2.gz KUXOPRHVTGKFCE-IVZWLZJFSA-N 0 0 186.295 2.207 10 0 AEAERN CC[C@@H]1SCCS[C@H]1C(C)=O 228081984 344557037 /nfs/dbraw/zinc/55/70/37/344557037.db2.gz GXKNHAQUKCWKHU-YUMQZZPRSA-N 0 0 190.333 2.203 10 0 AEAERN CCC(=O)[C@H]1SCCS[C@@H]1C 228076818 344557039 /nfs/dbraw/zinc/55/70/39/344557039.db2.gz LIYUFXKJXKWJPV-SVRRBLITSA-N 0 0 190.333 2.203 10 0 AEAERN CCC(=O)[C@H]1SCCS[C@H]1C 228076842 344557139 /nfs/dbraw/zinc/55/71/39/344557139.db2.gz LIYUFXKJXKWJPV-XPUUQOCRSA-N 0 0 190.333 2.203 10 0 AEAERN CC[C@H]1SCCS[C@H]1C(C)=O 228081989 344557221 /nfs/dbraw/zinc/55/72/21/344557221.db2.gz GXKNHAQUKCWKHU-SFYZADRCSA-N 0 0 190.333 2.203 10 0 AEAERN CCC(=O)[C@@H]1SCCS[C@@H]1C 228076810 344557284 /nfs/dbraw/zinc/55/72/84/344557284.db2.gz LIYUFXKJXKWJPV-HTRCEHHLSA-N 0 0 190.333 2.203 10 0 AEAERN CCC(=O)[C@@H]1SCCS[C@H]1C 228076829 344557307 /nfs/dbraw/zinc/55/73/07/344557307.db2.gz LIYUFXKJXKWJPV-POYBYMJQSA-N 0 0 190.333 2.203 10 0 AEAERN CC[C@@H]1SCCS[C@@H]1C(C)=O 228081973 344557415 /nfs/dbraw/zinc/55/74/15/344557415.db2.gz GXKNHAQUKCWKHU-JGVFFNPUSA-N 0 0 190.333 2.203 10 0 AEAERN CC[C@H]1SCCS[C@@H]1C(C)=O 228081977 344557457 /nfs/dbraw/zinc/55/74/57/344557457.db2.gz GXKNHAQUKCWKHU-HTQZYQBOSA-N 0 0 190.333 2.203 10 0 AEAERN CO[C@@H]1C[C@H](C)c2ccccc2[C@@H]1O 228166402 344558508 /nfs/dbraw/zinc/55/85/08/344558508.db2.gz OIGHDZAUWXLZPJ-AXTRIDKLSA-N 0 0 192.258 2.242 10 0 AEAERN CCC/C(C)=C\[C@@H](C)O 228125772 344558520 /nfs/dbraw/zinc/55/85/20/344558520.db2.gz VFLUNZBNMJPSEH-NFXKFNAJSA-N 0 0 128.215 2.114 10 0 AEAERN CCC/C(C)=C\[C@H](C)O 228125783 344558548 /nfs/dbraw/zinc/55/85/48/344558548.db2.gz VFLUNZBNMJPSEH-UAPHAKCISA-N 0 0 128.215 2.114 10 0 AEAERN CO[C@@H]1C[C@@H](C)c2ccccc2[C@@H]1O 228166383 344558571 /nfs/dbraw/zinc/55/85/71/344558571.db2.gz OIGHDZAUWXLZPJ-FXAINCCUSA-N 0 0 192.258 2.242 10 0 AEAERN CC[C@H](C)c1nncn1C(C)C 228227642 344559242 /nfs/dbraw/zinc/55/92/42/344559242.db2.gz XJEYCIZYQDRBJT-QMMMGPOBSA-N 0 0 167.256 2.373 10 0 AEAERN CC(C)N1C(=S)N=NC1[C@H]1C[C@@H]1C 228205286 344559280 /nfs/dbraw/zinc/55/92/80/344559280.db2.gz ZUEQRXXSWOEFIR-BQBZGAKWSA-N 0 0 197.307 2.271 10 0 AEAERN CC(C)N1C(=S)N=NC1[C@H]1C[C@H]1C 228205307 344559357 /nfs/dbraw/zinc/55/93/57/344559357.db2.gz ZUEQRXXSWOEFIR-RQJHMYQMSA-N 0 0 197.307 2.271 10 0 AEAERN C[C@@H]1C[C@@H]1C1N=NC(=S)N1C1CC1 228207989 344559442 /nfs/dbraw/zinc/55/94/42/344559442.db2.gz PCEUEEPMQUMPRX-VDTYLAMSSA-N 0 0 195.291 2.025 10 0 AEAERN C[C@H]1C[C@@H]1C1N=NC(=S)N1C1CC1 228207999 344559465 /nfs/dbraw/zinc/55/94/65/344559465.db2.gz PCEUEEPMQUMPRX-FSPLSTOPSA-N 0 0 195.291 2.025 10 0 AEAERN CC(C)n1cnnc1C1CCC1 228228079 344559513 /nfs/dbraw/zinc/55/95/13/344559513.db2.gz MSDJMIOUIFCMSR-UHFFFAOYSA-N 0 0 165.240 2.127 10 0 AEAERN CC[C@@H](C)c1nncn1C(C)C 228227636 344559526 /nfs/dbraw/zinc/55/95/26/344559526.db2.gz XJEYCIZYQDRBJT-MRVPVSSYSA-N 0 0 167.256 2.373 10 0 AEAERN CC(C)N1C(=S)N=NC1[C@@H]1C[C@H]1C 228205296 344559530 /nfs/dbraw/zinc/55/95/30/344559530.db2.gz ZUEQRXXSWOEFIR-RNFRBKRXSA-N 0 0 197.307 2.271 10 0 AEAERN C[C@H]1C[C@H]1C1N=NC(=S)N1C1CC1 228208013 344559562 /nfs/dbraw/zinc/55/95/62/344559562.db2.gz PCEUEEPMQUMPRX-CAHLUQPWSA-N 0 0 195.291 2.025 10 0 AEAERN FC(F)c1nncn1-c1ccccc1 228224884 344559580 /nfs/dbraw/zinc/55/95/80/344559580.db2.gz YJZLDWIKKVWMET-UHFFFAOYSA-N 0 0 195.172 2.205 10 0 AEAERN CCn1cnnc1-c1ccsc1 228232553 344559711 /nfs/dbraw/zinc/55/97/11/344559711.db2.gz RYXZIVDUXGEKOV-UHFFFAOYSA-N 0 0 179.248 2.027 10 0 AEAERN CC(C)(C)Cc1nncn1C1CC1 228230458 344559724 /nfs/dbraw/zinc/55/97/24/344559724.db2.gz FTJBCPZSBQNRNG-UHFFFAOYSA-N 0 0 179.267 2.202 10 0 AEAERN c1nnc(C2CCCC2)n1C1CC1 228230442 344559732 /nfs/dbraw/zinc/55/97/32/344559732.db2.gz QPOISALNAGKHMW-UHFFFAOYSA-N 0 0 177.251 2.271 10 0 AEAERN CCn1cnnc1-c1ccccc1F 228233728 344559768 /nfs/dbraw/zinc/55/97/68/344559768.db2.gz FSXOCQMKWJVZDM-UHFFFAOYSA-N 0 0 191.209 2.104 10 0 AEAERN CC1(c2nncn2C2CC2)CCCC1 228229601 344559770 /nfs/dbraw/zinc/55/97/70/344559770.db2.gz ZDRTUGYUZXYDME-UHFFFAOYSA-N 0 0 191.278 2.445 10 0 AEAERN CCn1cnnc1-c1ccccc1C 228232787 344559771 /nfs/dbraw/zinc/55/97/71/344559771.db2.gz LNCVLEYDGQDNBG-UHFFFAOYSA-N 0 0 187.246 2.273 10 0 AEAERN CCn1cnnc1-c1cccc(C)c1 228232806 344559774 /nfs/dbraw/zinc/55/97/74/344559774.db2.gz NZKZFSORNZNGNS-UHFFFAOYSA-N 0 0 187.246 2.273 10 0 AEAERN CC(C)[C@@H](C)c1nncn1C1CC1 228230976 344559779 /nfs/dbraw/zinc/55/97/79/344559779.db2.gz MVQUCWWSJWNREG-MRVPVSSYSA-N 0 0 179.267 2.373 10 0 AEAERN c1csc(-c2nncn2C2CC2)c1 228229209 344559793 /nfs/dbraw/zinc/55/97/93/344559793.db2.gz SAFMUWNMQDZETL-UHFFFAOYSA-N 0 0 191.259 2.342 10 0 AEAERN c1cc(-c2nncn2C2CC2)cs1 228229300 344559805 /nfs/dbraw/zinc/55/98/05/344559805.db2.gz YTMCMECPTVVSEC-UHFFFAOYSA-N 0 0 191.259 2.342 10 0 AEAERN CC(C)(C)n1cnnc1C1CCC1 228231985 344559827 /nfs/dbraw/zinc/55/98/27/344559827.db2.gz LOLPTOGKFMCVQF-UHFFFAOYSA-N 0 0 179.267 2.301 10 0 AEAERN CC(C)n1cnnc1CC(C)(C)C 228228108 344559837 /nfs/dbraw/zinc/55/98/37/344559837.db2.gz PVJRMWJVZXZAQS-UHFFFAOYSA-N 0 0 181.283 2.448 10 0 AEAERN CCn1cnnc1-c1ccc(C)s1 228233936 344559847 /nfs/dbraw/zinc/55/98/47/344559847.db2.gz KLOQRRKOIWHEFI-UHFFFAOYSA-N 0 0 193.275 2.335 10 0 AEAERN CCn1cnnc1C1(C)CCCC1 228232961 344559853 /nfs/dbraw/zinc/55/98/53/344559853.db2.gz IFYXNGYEBKBAPB-UHFFFAOYSA-N 0 0 179.267 2.130 10 0 AEAERN CCn1cnnc1C1C(C)(C)C1(C)C 228233317 344559870 /nfs/dbraw/zinc/55/98/70/344559870.db2.gz DIZDPKNSZIGZDJ-UHFFFAOYSA-N 0 0 193.294 2.448 10 0 AEAERN CC(C)Cc1nncn1C(C)(C)C 228231259 344559880 /nfs/dbraw/zinc/55/98/80/344559880.db2.gz LKXCFEKPUYZPRK-UHFFFAOYSA-N 0 0 181.283 2.232 10 0 AEAERN CC(C)[C@H](C)c1nncn1C1CC1 228230984 344559886 /nfs/dbraw/zinc/55/98/86/344559886.db2.gz MVQUCWWSJWNREG-QMMMGPOBSA-N 0 0 179.267 2.373 10 0 AEAERN CCn1cnnc1CC1CCCCC1 228233450 344559896 /nfs/dbraw/zinc/55/98/96/344559896.db2.gz KRPLTHGPWOGFOG-UHFFFAOYSA-N 0 0 193.294 2.421 10 0 AEAERN CCn1cnnc1-c1ccc(C)cc1 228232771 344559898 /nfs/dbraw/zinc/55/98/98/344559898.db2.gz MIFWGQXEYPWJEK-UHFFFAOYSA-N 0 0 187.246 2.273 10 0 AEAERN CCn1cnnc1C1CCCCC1 228233144 344559899 /nfs/dbraw/zinc/55/98/99/344559899.db2.gz KNBUPSCPAUGURQ-UHFFFAOYSA-N 0 0 179.267 2.346 10 0 AEAERN CCn1cnnc1-c1cscc1C 228233018 344559901 /nfs/dbraw/zinc/55/99/01/344559901.db2.gz HRWPDKODEODXMQ-UHFFFAOYSA-N 0 0 193.275 2.335 10 0 AEAERN CCn1cnnc1CC1CCCC1 228233653 344559916 /nfs/dbraw/zinc/55/99/16/344559916.db2.gz ONNXKQFECPSNME-UHFFFAOYSA-N 0 0 179.267 2.031 10 0 AEAERN CCc1ccc(-c2nncn2C)s1 228237077 344560112 /nfs/dbraw/zinc/56/01/12/344560112.db2.gz KIKLRWIMKAISLS-UHFFFAOYSA-N 0 0 193.275 2.106 10 0 AEAERN CCn1cnnc1-c1ccc(F)cc1 228234462 344560176 /nfs/dbraw/zinc/56/01/76/344560176.db2.gz MALFLMXGOBSUBB-UHFFFAOYSA-N 0 0 191.209 2.104 10 0 AEAERN CCn1cnnc1[C@@H](C)C(C)C 228234656 344560184 /nfs/dbraw/zinc/56/01/84/344560184.db2.gz SGXZSNBBEAVRRF-QMMMGPOBSA-N 0 0 167.256 2.058 10 0 AEAERN CCn1cnnc1[C@H](C)C(C)C 228234662 344560266 /nfs/dbraw/zinc/56/02/66/344560266.db2.gz SGXZSNBBEAVRRF-MRVPVSSYSA-N 0 0 167.256 2.058 10 0 AEAERN Cn1cnnc1-c1ccc(Cl)s1 228236969 344560303 /nfs/dbraw/zinc/56/03/03/344560303.db2.gz ZNNRTWGKTPAEBB-UHFFFAOYSA-N 0 0 199.666 2.197 10 0 AEAERN CCCn1cnnc1-c1ccsc1 228234785 344560311 /nfs/dbraw/zinc/56/03/11/344560311.db2.gz RFVPUXWNASQRTR-UHFFFAOYSA-N 0 0 193.275 2.417 10 0 AEAERN Cc1ccc(-c2nncn2C)c(C)c1 228236592 344560355 /nfs/dbraw/zinc/56/03/55/344560355.db2.gz RKPQADVQSYODLJ-UHFFFAOYSA-N 0 0 187.246 2.099 10 0 AEAERN Cc1cc(C)cc(-c2nncn2C)c1 228237636 344560563 /nfs/dbraw/zinc/56/05/63/344560563.db2.gz XZWHWJNMRQGXGU-UHFFFAOYSA-N 0 0 187.246 2.099 10 0 AEAERN CC(C)Cn1cnnc1C(C)C 228239575 344560594 /nfs/dbraw/zinc/56/05/94/344560594.db2.gz XVJVJCOHOJIXLB-UHFFFAOYSA-N 0 0 167.256 2.058 10 0 AEAERN Cc1ccc(C)c(-c2nncn2C)c1 228237843 344560736 /nfs/dbraw/zinc/56/07/36/344560736.db2.gz IURGVKWHMGRZGU-UHFFFAOYSA-N 0 0 187.246 2.099 10 0 AEAERN Cc1cccc(-c2nncn2C)c1C 228237855 344560766 /nfs/dbraw/zinc/56/07/66/344560766.db2.gz MHIWVNCZIVKNGO-UHFFFAOYSA-N 0 0 187.246 2.099 10 0 AEAERN CC(C)Cn1cnnc1C1CCC1 228240129 344560814 /nfs/dbraw/zinc/56/08/14/344560814.db2.gz JPBFBNBSMMLOJD-UHFFFAOYSA-N 0 0 179.267 2.202 10 0 AEAERN Cn1cnnc1C1CCCCCC1 228237959 344560824 /nfs/dbraw/zinc/56/08/24/344560824.db2.gz VJUSJPALYLYJPU-UHFFFAOYSA-N 0 0 179.267 2.253 10 0 AEAERN Cc1cc(-c2nncn2C)sc1C 228238143 344560921 /nfs/dbraw/zinc/56/09/21/344560921.db2.gz DOKZYYGIIONLFN-UHFFFAOYSA-N 0 0 193.275 2.160 10 0 AEAERN CCCNc1cncc(NCC)c1 228308892 344561425 /nfs/dbraw/zinc/56/14/25/344561425.db2.gz HADXBACNEJAUSS-UHFFFAOYSA-N 0 0 179.267 2.335 10 0 AEAERN CCSc1nc(Cl)ccc1N 228450474 344561822 /nfs/dbraw/zinc/56/18/22/344561822.db2.gz VMOUZSULEBLTQM-UHFFFAOYSA-N 0 0 188.683 2.429 10 0 AEAERN CCN(C)c1cc(Cl)ccc1N 228406137 344561893 /nfs/dbraw/zinc/56/18/93/344561893.db2.gz GCNYIDUNNIVCKA-UHFFFAOYSA-N 0 0 184.670 2.378 10 0 AEAERN C[C@H]1C[C@@H]1Nc1nc(Cl)ccc1N 228444904 344561906 /nfs/dbraw/zinc/56/19/06/344561906.db2.gz UNAIPARAHCQLBZ-FSPLSTOPSA-N 0 0 197.669 2.138 10 0 AEAERN Nc1ccc(Cl)nc1NC1CCC1 228444884 344561920 /nfs/dbraw/zinc/56/19/20/344561920.db2.gz NTOXSRFZZGOALQ-UHFFFAOYSA-N 0 0 197.669 2.282 10 0 AEAERN C[C@@H]1C[C@@H]1Nc1nc(Cl)ccc1N 228444896 344561946 /nfs/dbraw/zinc/56/19/46/344561946.db2.gz UNAIPARAHCQLBZ-VDTYLAMSSA-N 0 0 197.669 2.138 10 0 AEAERN Cc1cc(Cl)n2nc(C)c(C)c2n1 228388627 344561949 /nfs/dbraw/zinc/56/19/49/344561949.db2.gz SQOGBOKCWRNZBR-UHFFFAOYSA-N 0 0 195.653 2.308 10 0 AEAERN C[C@H]1C[C@H]1Nc1nc(Cl)ccc1N 228444925 344561982 /nfs/dbraw/zinc/56/19/82/344561982.db2.gz UNAIPARAHCQLBZ-CAHLUQPWSA-N 0 0 197.669 2.138 10 0 AEAERN Nc1ccc(Cl)nc1OC1CCC1 228449899 344561992 /nfs/dbraw/zinc/56/19/92/344561992.db2.gz BDTSPTCSJCVUAB-UHFFFAOYSA-N 0 0 198.653 2.249 10 0 AEAERN CCCN(C)c1nc(Cl)ccc1N 228440168 344562012 /nfs/dbraw/zinc/56/20/12/344562012.db2.gz PONJEEPPDHLEBI-UHFFFAOYSA-N 0 0 199.685 2.163 10 0 AEAERN CCN(CC)c1nc(Cl)ccc1N 228438741 344562050 /nfs/dbraw/zinc/56/20/50/344562050.db2.gz HWHTUWOFKKBOGI-UHFFFAOYSA-N 0 0 199.685 2.163 10 0 AEAERN CC(C)N(C)c1nc(Cl)ccc1N 228438878 344562055 /nfs/dbraw/zinc/56/20/55/344562055.db2.gz UIALKWRTSNSCKU-UHFFFAOYSA-N 0 0 199.685 2.162 10 0 AEAERN Nc1ccc(Cl)nc1NCC1CC1 228439281 344562110 /nfs/dbraw/zinc/56/21/10/344562110.db2.gz BIONUELVMYNADQ-UHFFFAOYSA-N 0 0 197.669 2.139 10 0 AEAERN Cc1n[nH]c(C)c1N[C@H](C)C(F)F 228488361 344562428 /nfs/dbraw/zinc/56/24/28/344562428.db2.gz NKGOXEPLJRHSKS-ZCFIWIBFSA-N 0 0 189.209 2.092 10 0 AEAERN C[C@H](NCc1ccccc1)C(F)F 228477715 344562540 /nfs/dbraw/zinc/56/25/40/344562540.db2.gz LFKVHQZFQUVALS-QMMMGPOBSA-N 0 0 185.217 2.430 10 0 AEAERN CC1CC(N[C@H](C)C(F)F)C1 228521098 344562929 /nfs/dbraw/zinc/56/29/29/344562929.db2.gz NYRUAFOJVFYZAX-YURFNIAASA-N 0 0 163.211 2.028 10 0 AEAERN C[C@H](Nc1ccc(O)cc1)C(F)F 228502534 344562941 /nfs/dbraw/zinc/56/29/41/344562941.db2.gz QTAHFZQCXUARSE-LURJTMIESA-N 0 0 187.189 2.458 10 0 AEAERN C[C@H](O)c1ccccc1N1CC[C@@H]1C 228518394 344562976 /nfs/dbraw/zinc/56/29/76/344562976.db2.gz YTVLNAOINWUZOS-UWVGGRQHSA-N 0 0 191.274 2.339 10 0 AEAERN Cc1ccc(N[C@H](C)C(F)F)cn1 228518592 344562985 /nfs/dbraw/zinc/56/29/85/344562985.db2.gz SVKNZOOXDWGICD-SSDOTTSWSA-N 0 0 186.205 2.456 10 0 AEAERN Cc1ncccc1N[C@H](C)C(F)F 228516173 344563008 /nfs/dbraw/zinc/56/30/08/344563008.db2.gz WLRQTTGVZDBXJI-SSDOTTSWSA-N 0 0 186.205 2.456 10 0 AEAERN C[C@H](Nc1cccc(F)n1)C(F)F 228522377 344563048 /nfs/dbraw/zinc/56/30/48/344563048.db2.gz YYVBEPLYRIXQTQ-YFKPBYRVSA-N 0 0 190.168 2.286 10 0 AEAERN C[C@H](N[C@@H]1CC1(C)C)C(F)F 228511439 344563059 /nfs/dbraw/zinc/56/30/59/344563059.db2.gz WQCGWIUGJOVNND-NTSWFWBYSA-N 0 0 163.211 2.028 10 0 AEAERN C[C@@H](N[C@@H]1CC1(C)C)C(F)F 228511433 344563080 /nfs/dbraw/zinc/56/30/80/344563080.db2.gz WQCGWIUGJOVNND-PHDIDXHHSA-N 0 0 163.211 2.028 10 0 AEAERN C[C@H](Nc1nccs1)C(F)F 228516221 344563095 /nfs/dbraw/zinc/56/30/95/344563095.db2.gz GQHVLPQEKLKPDD-BYPYZUCNSA-N 0 0 178.207 2.209 10 0 AEAERN C[C@H](N[C@H]1CC1(C)C)C(F)F 228511454 344563154 /nfs/dbraw/zinc/56/31/54/344563154.db2.gz WQCGWIUGJOVNND-WDSKDSINSA-N 0 0 163.211 2.028 10 0 AEAERN Cc1ccc(N[C@@H](C)C(F)F)cn1 228518589 344563196 /nfs/dbraw/zinc/56/31/96/344563196.db2.gz SVKNZOOXDWGICD-ZETCQYMHSA-N 0 0 186.205 2.456 10 0 AEAERN C[C@@H](N[C@H]1CC1(C)C)C(F)F 228511447 344563210 /nfs/dbraw/zinc/56/32/10/344563210.db2.gz WQCGWIUGJOVNND-RITPCOANSA-N 0 0 163.211 2.028 10 0 AEAERN Cc1ncccc1N[C@@H](C)C(F)F 228516167 344563216 /nfs/dbraw/zinc/56/32/16/344563216.db2.gz WLRQTTGVZDBXJI-ZETCQYMHSA-N 0 0 186.205 2.456 10 0 AEAERN C[C@@H](Nc1nccs1)C(F)F 228516215 344563221 /nfs/dbraw/zinc/56/32/21/344563221.db2.gz GQHVLPQEKLKPDD-SCSAIBSYSA-N 0 0 178.207 2.209 10 0 AEAERN CC1CC(N[C@@H](C)C(F)F)C1 228521103 344563291 /nfs/dbraw/zinc/56/32/91/344563291.db2.gz NYRUAFOJVFYZAX-HUDPQJTASA-N 0 0 163.211 2.028 10 0 AEAERN C[C@@H](Nc1ccc(O)cc1)C(F)F 228502529 344563298 /nfs/dbraw/zinc/56/32/98/344563298.db2.gz QTAHFZQCXUARSE-ZCFIWIBFSA-N 0 0 187.189 2.458 10 0 AEAERN C[C@@H](Nc1cccc(F)n1)C(F)F 228522372 344563300 /nfs/dbraw/zinc/56/33/00/344563300.db2.gz YYVBEPLYRIXQTQ-RXMQYKEDSA-N 0 0 190.168 2.286 10 0 AEAERN Cc1ccncc1N[C@@H](C)C(F)F 228513377 344563317 /nfs/dbraw/zinc/56/33/17/344563317.db2.gz ZLAGCSUZNFBUAU-ZETCQYMHSA-N 0 0 186.205 2.456 10 0 AEAERN Cc1ccncc1N[C@H](C)C(F)F 228513384 344563323 /nfs/dbraw/zinc/56/33/23/344563323.db2.gz ZLAGCSUZNFBUAU-SSDOTTSWSA-N 0 0 186.205 2.456 10 0 AEAERN c1ccn(C[C@@H]2CCSC2)c1 228602844 344564312 /nfs/dbraw/zinc/56/43/12/344564312.db2.gz SAGZBBZTJJEONZ-VIFPVBQESA-N 0 0 167.277 2.241 10 0 AEAERN c1ccn(C[C@H]2CCSC2)c1 228602854 344564386 /nfs/dbraw/zinc/56/43/86/344564386.db2.gz SAGZBBZTJJEONZ-SECBINFHSA-N 0 0 167.277 2.241 10 0 AEAERN Cc1cncc(C[C@@H]2CCC[C@H]2O)c1 228631620 344564703 /nfs/dbraw/zinc/56/47/03/344564703.db2.gz USOVNPUXAJGTTJ-NWDGAFQWSA-N 0 0 191.274 2.094 10 0 AEAERN CC1(C)C[C@H]1C(=O)N1CCCCC1 228630354 344564727 /nfs/dbraw/zinc/56/47/27/344564727.db2.gz WLCYAVXIVVVDJO-VIFPVBQESA-N 0 0 181.279 2.045 10 0 AEAERN CC1(C)C[C@H]1C(=O)NC1CCCC1 228631354 344564799 /nfs/dbraw/zinc/56/47/99/344564799.db2.gz QECOEXAOSTVBLE-VIFPVBQESA-N 0 0 181.279 2.091 10 0 AEAERN Cc1cncc(C[C@@H]2CCC[C@@H]2O)c1 228631612 344564863 /nfs/dbraw/zinc/56/48/63/344564863.db2.gz USOVNPUXAJGTTJ-RYUDHWBXSA-N 0 0 191.274 2.094 10 0 AEAERN Cc1cncc(C[C@H]2CCC[C@@H]2O)c1 228631617 344564904 /nfs/dbraw/zinc/56/49/04/344564904.db2.gz USOVNPUXAJGTTJ-NEPJUHHUSA-N 0 0 191.274 2.094 10 0 AEAERN Cc1cncc(C[C@H]2CCC[C@H]2O)c1 228631624 344564983 /nfs/dbraw/zinc/56/49/83/344564983.db2.gz USOVNPUXAJGTTJ-VXGBXAGGSA-N 0 0 191.274 2.094 10 0 AEAERN CC1([C@@H](O)c2cnccn2)CCCC1 228659361 344565311 /nfs/dbraw/zinc/56/53/11/344565311.db2.gz NMYHMXWRDKPPBB-JTQLQIEISA-N 0 0 192.262 2.090 10 0 AEAERN Cc1cc([C@H]([NH3+])c2cccnc2)co1 228645583 344565319 /nfs/dbraw/zinc/56/53/19/344565319.db2.gz QHWWMRNNLORSDH-LLVKDONJSA-N 0 0 188.230 2.031 10 0 AEAERN Cc1cc([C@@H]([NH3+])c2cccnc2)co1 228645574 344565396 /nfs/dbraw/zinc/56/53/96/344565396.db2.gz QHWWMRNNLORSDH-NSHDSACASA-N 0 0 188.230 2.031 10 0 AEAERN Cc1cncc(Cn2cccc2)c1 228645615 344565493 /nfs/dbraw/zinc/56/54/93/344565493.db2.gz ZAVABSMGWQMNQR-UHFFFAOYSA-N 0 0 172.231 2.240 10 0 AEAERN CC1([C@H](O)c2cnccn2)CCCC1 228659368 344565552 /nfs/dbraw/zinc/56/55/52/344565552.db2.gz NMYHMXWRDKPPBB-SNVBAGLBSA-N 0 0 192.262 2.090 10 0 AEAERN C[C@H](C(=O)c1ccncc1F)C1CC1 228685440 344566080 /nfs/dbraw/zinc/56/60/80/344566080.db2.gz VBOHJHCUXCEIDT-ZETCQYMHSA-N 0 0 193.221 2.450 10 0 AEAERN C[C@@H]1OCC[C@H]1[C@@H](O)C1CCCCC1 228683478 344566184 /nfs/dbraw/zinc/56/61/84/344566184.db2.gz PRDJRDWLQSIJKK-WCQGTBRESA-N 0 0 198.306 2.353 10 0 AEAERN C[C@@H]1OCC[C@@H]1[C@@H](O)C1CCCCC1 228683455 344566219 /nfs/dbraw/zinc/56/62/19/344566219.db2.gz PRDJRDWLQSIJKK-DLOVCJGASA-N 0 0 198.306 2.353 10 0 AEAERN C[C@H]1CC([C@@H](NN)C2CC2)C[C@H](C)C1 228723470 344566533 /nfs/dbraw/zinc/56/65/33/344566533.db2.gz UUZAZNBXXYBVRS-LNLATYFQSA-N 0 0 196.338 2.301 10 0 AEAERN CC(C)[C@H](NN)[C@@H]1CCC[C@@H](C)C1 228699193 344566563 /nfs/dbraw/zinc/56/65/63/344566563.db2.gz PVMBNSPPYYKRRI-MXWKQRLJSA-N 0 0 184.327 2.301 10 0 AEAERN O[C@@H](c1ccsc1)[C@@H]1CCCCO1 228724949 344566657 /nfs/dbraw/zinc/56/66/57/344566657.db2.gz HZOOJRSQDWDORP-UWVGGRQHSA-N 0 0 198.287 2.351 10 0 AEAERN CC(C)[C@H](NN)[C@H]1CCC[C@@H](C)C1 228699204 344566660 /nfs/dbraw/zinc/56/66/60/344566660.db2.gz PVMBNSPPYYKRRI-VWYCJHECSA-N 0 0 184.327 2.301 10 0 AEAERN O[C@H](c1ccsc1)[C@H]1CCCCO1 228724958 344566693 /nfs/dbraw/zinc/56/66/93/344566693.db2.gz HZOOJRSQDWDORP-NXEZZACHSA-N 0 0 198.287 2.351 10 0 AEAERN CC[C@H](NN)[C@H]1CCC[C@@H](C)C1 228710207 344566784 /nfs/dbraw/zinc/56/67/84/344566784.db2.gz JHDWYTGTCWNPCZ-UTLUCORTSA-N 0 0 170.300 2.055 10 0 AEAERN CC[C@H](NN)[C@@H]1CCC[C@@H](C)C1 228710184 344566840 /nfs/dbraw/zinc/56/68/40/344566840.db2.gz JHDWYTGTCWNPCZ-BBBLOLIVSA-N 0 0 170.300 2.055 10 0 AEAERN O[C@@H](c1ccsc1)[C@H]1CCCCO1 228724968 344566862 /nfs/dbraw/zinc/56/68/62/344566862.db2.gz HZOOJRSQDWDORP-ZJUUUORDSA-N 0 0 198.287 2.351 10 0 AEAERN O[C@H](c1ccsc1)[C@@H]1CCCCO1 228724940 344566972 /nfs/dbraw/zinc/56/69/72/344566972.db2.gz HZOOJRSQDWDORP-VHSXEESVSA-N 0 0 198.287 2.351 10 0 AEAERN Cc1ccc(-c2ccc(C=O)o2)cn1 228786716 344568406 /nfs/dbraw/zinc/56/84/06/344568406.db2.gz JQNSGUAASYCDCP-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN Cc1ccncc1-c1ccc(C=O)o1 228786682 344568534 /nfs/dbraw/zinc/56/85/34/344568534.db2.gz XAMZRTKSJIYCRC-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN C1=C(CCNc2ccncn2)CCC1 228777537 344568631 /nfs/dbraw/zinc/56/86/31/344568631.db2.gz YALIIPQTICCCEQ-UHFFFAOYSA-N 0 0 189.262 2.389 10 0 AEAERN CC1(C)C([C@H](O)C2CC2)C1(C)C 228789879 344568974 /nfs/dbraw/zinc/56/89/74/344568974.db2.gz XALRVYHHZHRMSI-MRVPVSSYSA-N 0 0 168.280 2.440 10 0 AEAERN CC1(C)C([C@@H](O)C2CC2)C1(C)C 228789869 344569002 /nfs/dbraw/zinc/56/90/02/344569002.db2.gz XALRVYHHZHRMSI-QMMMGPOBSA-N 0 0 168.280 2.440 10 0 AEAERN Cc1cc([C@H](O)C2CC2)c(C)o1 228788509 344569183 /nfs/dbraw/zinc/56/91/83/344569183.db2.gz CFXHJGHSHRIARZ-SNVBAGLBSA-N 0 0 166.220 2.340 10 0 AEAERN Cc1cc([C@@H](O)C2CC2)c(C)o1 228788495 344569186 /nfs/dbraw/zinc/56/91/86/344569186.db2.gz CFXHJGHSHRIARZ-JTQLQIEISA-N 0 0 166.220 2.340 10 0 AEAERN CC1(Nc2ncc(Cl)cc2N)CC1 228828579 344569380 /nfs/dbraw/zinc/56/93/80/344569380.db2.gz RBWFMEBLCFTWAW-UHFFFAOYSA-N 0 0 197.669 2.282 10 0 AEAERN CC1(Nc2cc(N)cc(F)c2)CC1 228829262 344569414 /nfs/dbraw/zinc/56/94/14/344569414.db2.gz GXYGQQKDOISTEX-UHFFFAOYSA-N 0 0 180.226 2.372 10 0 AEAERN CC1(Nc2cc(F)ccc2N)CC1 228830179 344569585 /nfs/dbraw/zinc/56/95/85/344569585.db2.gz UKVVGICAIMSKDG-UHFFFAOYSA-N 0 0 180.226 2.372 10 0 AEAERN COc1cc(N)cc(NC2(C)CC2)c1 228828873 344569610 /nfs/dbraw/zinc/56/96/10/344569610.db2.gz CXIJWKOZLZYTOK-UHFFFAOYSA-N 0 0 192.262 2.242 10 0 AEAERN CC1(Nc2nc(Cl)ccc2N)CC1 228828681 344569636 /nfs/dbraw/zinc/56/96/36/344569636.db2.gz BBQPGCUXVBRMOB-UHFFFAOYSA-N 0 0 197.669 2.282 10 0 AEAERN CC1(Nc2cccc(N)c2)CC1 228830123 344569640 /nfs/dbraw/zinc/56/96/40/344569640.db2.gz PLFSTTXPNDLMBN-UHFFFAOYSA-N 0 0 162.236 2.233 10 0 AEAERN CC1(Nc2ncccc2N)CCC1 228830594 344569698 /nfs/dbraw/zinc/56/96/98/344569698.db2.gz VFKIXYZNWNEZRU-UHFFFAOYSA-N 0 0 177.251 2.018 10 0 AEAERN COc1cccc(NC2(C)CC2)c1N 228829966 344569709 /nfs/dbraw/zinc/56/97/09/344569709.db2.gz IDWNZSPQJQLTHB-UHFFFAOYSA-N 0 0 192.262 2.242 10 0 AEAERN CC1(Nc2cccc(F)c2N)CC1 228829048 344569758 /nfs/dbraw/zinc/56/97/58/344569758.db2.gz FMPUNZCDNLMHKQ-UHFFFAOYSA-N 0 0 180.226 2.372 10 0 AEAERN CC1(Nc2ccc(F)cc2N)CC1 228828410 344569783 /nfs/dbraw/zinc/56/97/83/344569783.db2.gz HILYVXTZRWEJDD-UHFFFAOYSA-N 0 0 180.226 2.372 10 0 AEAERN CC1(Nc2ccc(N)cc2F)CC1 228829290 344569790 /nfs/dbraw/zinc/56/97/90/344569790.db2.gz SDLJDMVEZGWKHR-UHFFFAOYSA-N 0 0 180.226 2.372 10 0 AEAERN CC1(Nc2cccnc2N)CCC1 228831657 344569944 /nfs/dbraw/zinc/56/99/44/344569944.db2.gz PPIAZNDGPWOXKT-UHFFFAOYSA-N 0 0 177.251 2.018 10 0 AEAERN CC1([NH2+]C/C(Cl)=C\Cl)CC1 228845714 344570660 /nfs/dbraw/zinc/57/06/60/344570660.db2.gz PXGVDSNTMFUTPK-GQCTYLIASA-N 0 0 180.078 2.448 10 0 AEAERN CC1([NH2+]C/C(Cl)=C/Cl)CC1 228845721 344570714 /nfs/dbraw/zinc/57/07/14/344570714.db2.gz PXGVDSNTMFUTPK-XQRVVYSFSA-N 0 0 180.078 2.448 10 0 AEAERN Cc1cc(C=O)c(C)n1C1(C)CC1 228866913 344571716 /nfs/dbraw/zinc/57/17/16/344571716.db2.gz OIEAKFBCTLZFAL-UHFFFAOYSA-N 0 0 177.247 2.426 10 0 AEAERN Cc1cccnc1NC1(C)CC1 228883845 344572903 /nfs/dbraw/zinc/57/29/03/344572903.db2.gz YINKWKMPZACTTG-UHFFFAOYSA-N 0 0 162.236 2.354 10 0 AEAERN CC(C)CNc1cc(N)cc(Cl)n1 228873075 344572925 /nfs/dbraw/zinc/57/29/25/344572925.db2.gz UKAYEAKDRUHBEU-UHFFFAOYSA-N 0 0 199.685 2.385 10 0 AEAERN CC[C@@H](C)Nc1ccc(F)nc1 228876116 344572990 /nfs/dbraw/zinc/57/29/90/344572990.db2.gz BXLHFFZGGURWNR-SSDOTTSWSA-N 0 0 168.215 2.431 10 0 AEAERN CC1(Nc2ccc(Cl)nn2)CC1 228883891 344572993 /nfs/dbraw/zinc/57/29/93/344572993.db2.gz SCMFFPJGYHVUSX-UHFFFAOYSA-N 0 0 183.642 2.094 10 0 AEAERN Nc1cc(Cl)nc(NCC2CC2)c1 228876712 344573013 /nfs/dbraw/zinc/57/30/13/344573013.db2.gz FDHFIGQVQAFMRC-UHFFFAOYSA-N 0 0 197.669 2.139 10 0 AEAERN CC[C@H](C)Nc1ccc(F)nc1 228876128 344573064 /nfs/dbraw/zinc/57/30/64/344573064.db2.gz BXLHFFZGGURWNR-ZETCQYMHSA-N 0 0 168.215 2.431 10 0 AEAERN COc1cc(NC2(C)CC2)ccn1 228887337 344573309 /nfs/dbraw/zinc/57/33/09/344573309.db2.gz QTEVNFFSANGTPZ-UHFFFAOYSA-N 0 0 178.235 2.055 10 0 AEAERN Cc1cccc(NC2(C)CC2)n1 228886023 344573317 /nfs/dbraw/zinc/57/33/17/344573317.db2.gz FEJGFKSTKCDNQK-UHFFFAOYSA-N 0 0 162.236 2.354 10 0 AEAERN COc1cccnc1NC1(C)CC1 228884578 344573381 /nfs/dbraw/zinc/57/33/81/344573381.db2.gz HMZTVNFDFLSNBC-UHFFFAOYSA-N 0 0 178.235 2.055 10 0 AEAERN CC1(Nc2ccc(Cl)nn2)CCC1 228888384 344573399 /nfs/dbraw/zinc/57/33/99/344573399.db2.gz NDFDTOPCOHTEMN-UHFFFAOYSA-N 0 0 197.669 2.485 10 0 AEAERN CCOc1cccc(NC2(C)CC2)n1 228884079 344573419 /nfs/dbraw/zinc/57/34/19/344573419.db2.gz UAPYMDFDMNXLCU-UHFFFAOYSA-N 0 0 192.262 2.445 10 0 AEAERN Cc1nnc(NC2(C)CCC2)s1 228888546 344573478 /nfs/dbraw/zinc/57/34/78/344573478.db2.gz RSPVREKPZWFRSD-UHFFFAOYSA-N 0 0 183.280 2.201 10 0 AEAERN Cc1ccnc(NC2(C)CC2)c1 228884720 344573500 /nfs/dbraw/zinc/57/35/00/344573500.db2.gz GMIPJNPCOKTLTI-UHFFFAOYSA-N 0 0 162.236 2.354 10 0 AEAERN Cc1ccc(NC2(C)CC2)nc1 228883960 344573536 /nfs/dbraw/zinc/57/35/36/344573536.db2.gz XSEYMBPKUPYXKI-UHFFFAOYSA-N 0 0 162.236 2.354 10 0 AEAERN CC1(Nc2ncc(F)cc2F)CC1 228885408 344573553 /nfs/dbraw/zinc/57/35/53/344573553.db2.gz NINZCKFCEHGZNJ-UHFFFAOYSA-N 0 0 184.189 2.324 10 0 AEAERN Cc1nccnc1NC1(C)CCC1 228888211 344573590 /nfs/dbraw/zinc/57/35/90/344573590.db2.gz YABGCPXVGXVOJU-UHFFFAOYSA-N 0 0 177.251 2.140 10 0 AEAERN Cc1cnc(C)c(NC2(C)CC2)n1 228884644 344573595 /nfs/dbraw/zinc/57/35/95/344573595.db2.gz HJFVGDRZYCEFFS-UHFFFAOYSA-N 0 0 177.251 2.058 10 0 AEAERN COc1cccc(NC2(C)CC2)n1 228886494 344573609 /nfs/dbraw/zinc/57/36/09/344573609.db2.gz XJONZHZAQGADKE-UHFFFAOYSA-N 0 0 178.235 2.055 10 0 AEAERN Cc1csc(NC2(C)CC2)n1 228886920 344573699 /nfs/dbraw/zinc/57/36/99/344573699.db2.gz QYAMHJIBQVQGGT-UHFFFAOYSA-N 0 0 168.265 2.416 10 0 AEAERN CC1(Nc2ccc(F)cn2)CC1 228884165 344573716 /nfs/dbraw/zinc/57/37/16/344573716.db2.gz RFVWYWCLDSECKK-UHFFFAOYSA-N 0 0 166.199 2.185 10 0 AEAERN CC1(n2cc[nH]c2=S)CCC1 228892451 344573910 /nfs/dbraw/zinc/57/39/10/344573910.db2.gz IHEDADOFSRFGCV-UHFFFAOYSA-N 0 0 168.265 2.071 10 0 AEAERN C[C@H]1[C@@H](c2ccncc2F)CC[C@H]1O 228894332 344574000 /nfs/dbraw/zinc/57/40/00/344574000.db2.gz FYDFFOWOZPQUIZ-DKCNOQQISA-N 0 0 195.237 2.095 10 0 AEAERN CC(C)C1N=NC(=S)N1C1(C)CC1 228892652 344574038 /nfs/dbraw/zinc/57/40/38/344574038.db2.gz ARUBSRMRPDFBEW-UHFFFAOYSA-N 0 0 197.307 2.199 10 0 AEAERN NNCc1cc2cc(Cl)ccc2o1 228898150 344574222 /nfs/dbraw/zinc/57/42/22/344574222.db2.gz ZRRCGKPROVCFPG-UHFFFAOYSA-N 0 0 196.637 2.050 10 0 AEAERN CC(C)=CCNc1ccc(N)cn1 228905706 344574390 /nfs/dbraw/zinc/57/43/90/344574390.db2.gz SHYYDQKISNINDZ-UHFFFAOYSA-N 0 0 177.251 2.042 10 0 AEAERN CC(C)=CCNc1ncccc1N 228900392 344574468 /nfs/dbraw/zinc/57/44/68/344574468.db2.gz ZJUFGLRNBCBXAM-UHFFFAOYSA-N 0 0 177.251 2.042 10 0 AEAERN NNCc1cc2cccc(Cl)c2o1 228900078 344574505 /nfs/dbraw/zinc/57/45/05/344574505.db2.gz VJOUDXTVPUZACY-UHFFFAOYSA-N 0 0 196.637 2.050 10 0 AEAERN CC(C)=CCNc1ccc(N)nc1 228903039 344574565 /nfs/dbraw/zinc/57/45/65/344574565.db2.gz GIWPPOZCRLGLNG-UHFFFAOYSA-N 0 0 177.251 2.042 10 0 AEAERN Cc1cnc(Cl)nc1NC1(C)CC1 228909940 344574831 /nfs/dbraw/zinc/57/48/31/344574831.db2.gz JHIPKHIUKZLPSK-UHFFFAOYSA-N 0 0 197.669 2.403 10 0 AEAERN CC1(Nc2ccnc(Cl)n2)CC1 228910221 344574871 /nfs/dbraw/zinc/57/48/71/344574871.db2.gz BTBQRXDGIKUGGI-UHFFFAOYSA-N 0 0 183.642 2.094 10 0 AEAERN CC1(Nc2cc(Cl)ncn2)CC1 228910559 344574880 /nfs/dbraw/zinc/57/48/80/344574880.db2.gz PWFMJPMIZMMVMK-UHFFFAOYSA-N 0 0 183.642 2.094 10 0 AEAERN CC1(Nc2nccnc2Cl)CCC1 228911050 344574944 /nfs/dbraw/zinc/57/49/44/344574944.db2.gz ZAOPLWMXKROMRN-UHFFFAOYSA-N 0 0 197.669 2.485 10 0 AEAERN CC1(Nc2nccnc2Cl)CC1 228910174 344574976 /nfs/dbraw/zinc/57/49/76/344574976.db2.gz NLGXESDRRFOXGJ-UHFFFAOYSA-N 0 0 183.642 2.094 10 0 AEAERN Cc1c[nH]c(=S)n1C1(C)CCC1 228909438 344575035 /nfs/dbraw/zinc/57/50/35/344575035.db2.gz RFTCRCDXHXUFKJ-UHFFFAOYSA-N 0 0 182.292 2.379 10 0 AEAERN CC1(Nc2cccc(F)n2)CC1 228910188 344575048 /nfs/dbraw/zinc/57/50/48/344575048.db2.gz ZXVGLSIVTXOOAM-UHFFFAOYSA-N 0 0 166.199 2.185 10 0 AEAERN Cc1c(Cl)ncnc1NC1(C)CC1 228910061 344575094 /nfs/dbraw/zinc/57/50/94/344575094.db2.gz DPAJVPBVDDCGHM-UHFFFAOYSA-N 0 0 197.669 2.403 10 0 AEAERN CC1(Nc2nsnc2Cl)CC1 228910690 344575098 /nfs/dbraw/zinc/57/50/98/344575098.db2.gz PNMRGIITRYJVSS-UHFFFAOYSA-N 0 0 189.671 2.156 10 0 AEAERN CCc1c[nH]c(=S)n1C1(C)CC1 228909397 344575103 /nfs/dbraw/zinc/57/51/03/344575103.db2.gz BPMAGMMZUNJLHC-UHFFFAOYSA-N 0 0 182.292 2.243 10 0 AEAERN CC1(Nc2cc(Cl)ncn2)CCC1 228911350 344575105 /nfs/dbraw/zinc/57/51/05/344575105.db2.gz IVNNRXQKEBBWSQ-UHFFFAOYSA-N 0 0 197.669 2.485 10 0 AEAERN CC1(Nc2ccnc(F)c2)CC1 228909958 344575138 /nfs/dbraw/zinc/57/51/38/344575138.db2.gz QYEFIPGLSYEYCM-UHFFFAOYSA-N 0 0 166.199 2.185 10 0 AEAERN Cc1cn(C2(C)CCC2)c(=S)[nH]1 228909475 344575157 /nfs/dbraw/zinc/57/51/57/344575157.db2.gz UPAXFTWNTLWXJJ-UHFFFAOYSA-N 0 0 182.292 2.379 10 0 AEAERN Cc1cc(NC2(C)CC2)nc(Cl)n1 228909868 344575191 /nfs/dbraw/zinc/57/51/91/344575191.db2.gz LHQWHXMBMFHMSZ-UHFFFAOYSA-N 0 0 197.669 2.403 10 0 AEAERN Cc1nnc(Cl)n1C1(C)CCC1 228926657 344575381 /nfs/dbraw/zinc/57/53/81/344575381.db2.gz PCEAWKUWXQRTGV-UHFFFAOYSA-N 0 0 185.658 2.139 10 0 AEAERN CCc1nnc(Cl)n1C1(C)CC1 228926604 344575403 /nfs/dbraw/zinc/57/54/03/344575403.db2.gz ORZQRXSHAQRDPC-UHFFFAOYSA-N 0 0 185.658 2.003 10 0 AEAERN CCCc1nnc(Cl)n1C1(C)CC1 228926558 344575500 /nfs/dbraw/zinc/57/55/00/344575500.db2.gz BOYYLMPDNCYIPH-UHFFFAOYSA-N 0 0 199.685 2.393 10 0 AEAERN CC(C)=CCNc1cccnc1N 228923194 344575576 /nfs/dbraw/zinc/57/55/76/344575576.db2.gz INLBXHDTFJJJJO-UHFFFAOYSA-N 0 0 177.251 2.042 10 0 AEAERN CC1(n2c(Cl)nnc2C2CC2)CC1 228926589 344575599 /nfs/dbraw/zinc/57/55/99/344575599.db2.gz XPHDEPZZYOURSA-UHFFFAOYSA-N 0 0 197.669 2.318 10 0 AEAERN CC(C)=CCNc1ncc(N)s1 228923273 344575673 /nfs/dbraw/zinc/57/56/73/344575673.db2.gz LCNKOLZCWGAOQG-UHFFFAOYSA-N 0 0 183.280 2.103 10 0 AEAERN CCc1nnc(Cl)n1C1(C)CCC1 228926729 344575729 /nfs/dbraw/zinc/57/57/29/344575729.db2.gz MXXJVSHFMASBAM-UHFFFAOYSA-N 0 0 199.685 2.393 10 0 AEAERN CC1(NC(=O)C(C)(C)C)CCC1 228928733 344575941 /nfs/dbraw/zinc/57/59/41/344575941.db2.gz VPUISWPJKYBUBX-UHFFFAOYSA-N 0 0 169.268 2.091 10 0 AEAERN CC1(Nc2cncc(N)c2)CCC1 228950535 344577401 /nfs/dbraw/zinc/57/74/01/344577401.db2.gz QCBALRXHXGSWMW-UHFFFAOYSA-N 0 0 177.251 2.018 10 0 AEAERN CCNc1cncc(NC2(C)CC2)c1 228950161 344577477 /nfs/dbraw/zinc/57/74/77/344577477.db2.gz VITDGISXFUBDLV-UHFFFAOYSA-N 0 0 191.278 2.478 10 0 AEAERN CNc1cncc(NC2(C)CC2)c1 228949911 344577496 /nfs/dbraw/zinc/57/74/96/344577496.db2.gz QLWSVZBOOAXDGI-UHFFFAOYSA-N 0 0 177.251 2.088 10 0 AEAERN Cc1ccc([C@@H](NN)C2CCC2)s1 228991755 344578868 /nfs/dbraw/zinc/57/88/68/344578868.db2.gz FKBGAYYOXANXSE-JTQLQIEISA-N 0 0 196.319 2.361 10 0 AEAERN Cc1ccc([C@H](NN)C2CCC2)s1 228991762 344578909 /nfs/dbraw/zinc/57/89/09/344578909.db2.gz FKBGAYYOXANXSE-SNVBAGLBSA-N 0 0 196.319 2.361 10 0 AEAERN Cc1cc([C@H](NN)C2CCC2)cs1 228996336 344578927 /nfs/dbraw/zinc/57/89/27/344578927.db2.gz JLLMDDOFHXYZKV-SNVBAGLBSA-N 0 0 196.319 2.361 10 0 AEAERN Cc1cc([C@@H](NN)C2CCC2)cs1 228996324 344579159 /nfs/dbraw/zinc/57/91/59/344579159.db2.gz JLLMDDOFHXYZKV-JTQLQIEISA-N 0 0 196.319 2.361 10 0 AEAERN CCOc1ccc2c(c1)NCCC2 229040025 344580406 /nfs/dbraw/zinc/58/04/06/344580406.db2.gz ZLOLYWZZXFPXDY-UHFFFAOYSA-N 0 0 177.247 2.443 10 0 AEAERN Cc1ncc(NC2CC=CC2)nc1C 229070996 344581583 /nfs/dbraw/zinc/58/15/83/344581583.db2.gz KHWKUBALADAJLP-UHFFFAOYSA-N 0 0 189.262 2.224 10 0 AEAERN Nc1ccc(NCCC2CCC2)nc1 229073445 344581597 /nfs/dbraw/zinc/58/15/97/344581597.db2.gz WJRSZSYAORTKLH-UHFFFAOYSA-N 0 0 191.278 2.266 10 0 AEAERN CC(C)C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 229101271 344582044 /nfs/dbraw/zinc/58/20/44/344582044.db2.gz BSLOLASQCOUZGQ-XKNYDFJKSA-N 0 0 184.279 2.271 10 0 AEAERN COC(=O)[C@H](C)S[C@H](C)C(C)C 231192723 344649645 /nfs/dbraw/zinc/64/96/45/344649645.db2.gz IDMNYEXYYXGPAE-SFYZADRCSA-N 0 0 190.308 2.326 10 0 AEAERN Clc1cc(NC2CCC2)cnn1 229116524 344582411 /nfs/dbraw/zinc/58/24/11/344582411.db2.gz BCEZFEVQEYEFLQ-UHFFFAOYSA-N 0 0 183.642 2.094 10 0 AEAERN CC1CC(Nc2cnnc(Cl)c2)C1 229119789 344582423 /nfs/dbraw/zinc/58/24/23/344582423.db2.gz KGCOLZPXSXZUGA-UHFFFAOYSA-N 0 0 197.669 2.340 10 0 AEAERN C[C@@H]1C[C@@H]1CNc1cnnc(Cl)c1 229119533 344582431 /nfs/dbraw/zinc/58/24/31/344582431.db2.gz IAWFTVALTBQKTB-RNFRBKRXSA-N 0 0 197.669 2.198 10 0 AEAERN C[C@H](Nc1cn[nH]c1)c1cscn1 229113222 344582522 /nfs/dbraw/zinc/58/25/22/344582522.db2.gz YEKNIRGKEMQTRH-LURJTMIESA-N 0 0 194.263 2.039 10 0 AEAERN C[C@H]1C[C@@H]1CNc1cnnc(Cl)c1 229119546 344582569 /nfs/dbraw/zinc/58/25/69/344582569.db2.gz IAWFTVALTBQKTB-NKWVEPMBSA-N 0 0 197.669 2.198 10 0 AEAERN C[C@H](Nc1cn[nH]c1)c1cncs1 229113246 344582570 /nfs/dbraw/zinc/58/25/70/344582570.db2.gz FQUIUPHEVDSQFP-LURJTMIESA-N 0 0 194.263 2.039 10 0 AEAERN C[C@@H](Nc1cnnc(Cl)c1)C1CC1 229123394 344582894 /nfs/dbraw/zinc/58/28/94/344582894.db2.gz AFCBACUXISYXGO-ZCFIWIBFSA-N 0 0 197.669 2.340 10 0 AEAERN CC1(C)C[C@H]1Nc1cnnc(Cl)c1 229124751 344582943 /nfs/dbraw/zinc/58/29/43/344582943.db2.gz AGTDBEDORFPGQH-SSDOTTSWSA-N 0 0 197.669 2.340 10 0 AEAERN CC(C)CNc1cnnc(Cl)c1 229122399 344583076 /nfs/dbraw/zinc/58/30/76/344583076.db2.gz XWTPUMDORAYXDI-UHFFFAOYSA-N 0 0 185.658 2.198 10 0 AEAERN Clc1cc(NC2CCCC2)cnn1 229122416 344583098 /nfs/dbraw/zinc/58/30/98/344583098.db2.gz JBFPTMIXTGUYCE-UHFFFAOYSA-N 0 0 197.669 2.485 10 0 AEAERN C[C@H](Nc1cnnc(Cl)c1)C1CC1 229123403 344583130 /nfs/dbraw/zinc/58/31/30/344583130.db2.gz AFCBACUXISYXGO-LURJTMIESA-N 0 0 197.669 2.340 10 0 AEAERN CC[C@H](C)Nc1cnnc(Cl)c1 229122361 344583136 /nfs/dbraw/zinc/58/31/36/344583136.db2.gz ROSCMAHTRXBTAH-LURJTMIESA-N 0 0 185.658 2.340 10 0 AEAERN c1cc(NCCC2CCC2)ncn1 229121221 344583165 /nfs/dbraw/zinc/58/31/65/344583165.db2.gz WHVOTXXZGAAUND-UHFFFAOYSA-N 0 0 177.251 2.079 10 0 AEAERN CC1(C)C[C@@H]1Nc1cnnc(Cl)c1 229124744 344583190 /nfs/dbraw/zinc/58/31/90/344583190.db2.gz AGTDBEDORFPGQH-ZETCQYMHSA-N 0 0 197.669 2.340 10 0 AEAERN CC[C@@H](C)Nc1cnnc(Cl)c1 229122344 344583208 /nfs/dbraw/zinc/58/32/08/344583208.db2.gz ROSCMAHTRXBTAH-ZCFIWIBFSA-N 0 0 185.658 2.340 10 0 AEAERN Clc1cc(NCC2CCC2)cnn1 229123219 344583224 /nfs/dbraw/zinc/58/32/24/344583224.db2.gz PHIHLEUANFGYHX-UHFFFAOYSA-N 0 0 197.669 2.342 10 0 AEAERN Cc1nnc(Cl)n1CCC1CCC1 229138456 344583526 /nfs/dbraw/zinc/58/35/26/344583526.db2.gz NOZTVLNEVFZDIA-UHFFFAOYSA-N 0 0 199.685 2.430 10 0 AEAERN Clc1ccc(-c2cncs2)nn1 229154012 344584032 /nfs/dbraw/zinc/58/40/32/344584032.db2.gz MKEBBIMPCWLQBR-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN Nc1cncc(NCCC2CCC2)c1 229148458 344584073 /nfs/dbraw/zinc/58/40/73/344584073.db2.gz HGVFUQFHJKQUOF-UHFFFAOYSA-N 0 0 191.278 2.266 10 0 AEAERN O=Cc1nc(-c2cncs2)cs1 229154566 344584186 /nfs/dbraw/zinc/58/41/86/344584186.db2.gz JVOBLMBILIHWTF-UHFFFAOYSA-N 0 0 196.256 2.079 10 0 AEAERN CO[C@]1([C@@H](O)C2CC2)CCC[C@H](C)C1 229158639 344584576 /nfs/dbraw/zinc/58/45/76/344584576.db2.gz MGRJQRRAXKVJRW-ZMLRMANQSA-N 0 0 198.306 2.353 10 0 AEAERN COCC(=O)c1cc(C)c(C)s1 229180920 344585146 /nfs/dbraw/zinc/58/51/46/344585146.db2.gz TWVFAPLOMVXBJY-UHFFFAOYSA-N 0 0 184.260 2.194 10 0 AEAERN COCC(=O)c1cccc(C)c1Cl 229181545 344585206 /nfs/dbraw/zinc/58/52/06/344585206.db2.gz DLQGZKSWGQSCLL-UHFFFAOYSA-N 0 0 198.649 2.478 10 0 AEAERN C[C@H](NN)C1CCC(C)(C)CC1 229178714 344585210 /nfs/dbraw/zinc/58/52/10/344585210.db2.gz SNLONNDQUASXOC-QMMMGPOBSA-N 0 0 170.300 2.055 10 0 AEAERN C[C@@H](NN)C1CCC(C)(C)CC1 229178704 344585251 /nfs/dbraw/zinc/58/52/51/344585251.db2.gz SNLONNDQUASXOC-MRVPVSSYSA-N 0 0 170.300 2.055 10 0 AEAERN COCC(=O)c1sccc1Cl 229179848 344585288 /nfs/dbraw/zinc/58/52/88/344585288.db2.gz SBIHYXRSDJPERH-UHFFFAOYSA-N 0 0 190.651 2.231 10 0 AEAERN C[C@@H]1CC[C@@H]([C@@H](NN)c2ccco2)C1 229208576 344585762 /nfs/dbraw/zinc/58/57/62/344585762.db2.gz XHXDFIRTFGHBPH-FXPVBKGRSA-N 0 0 194.278 2.220 10 0 AEAERN CC(C)=CCN1CCC(=O)C[C@@H]1C 229203400 344585775 /nfs/dbraw/zinc/58/57/75/344585775.db2.gz UQNIDCUXCGXJLM-JTQLQIEISA-N 0 0 181.279 2.006 10 0 AEAERN C[C@@H]1CC[C@H]([C@@H](NN)c2ccco2)C1 229208556 344585843 /nfs/dbraw/zinc/58/58/43/344585843.db2.gz XHXDFIRTFGHBPH-WCABBAIRSA-N 0 0 194.278 2.220 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MHWYPBIPEYPGHI-ZETCQYMHSA-N 0 0 156.269 2.440 10 0 AEAERN CC[C@H](C)C(=O)[C@@H]1CO[C@@H](C)C1 229248818 344587851 /nfs/dbraw/zinc/58/78/51/344587851.db2.gz BFSQYRISXHTBRS-CIUDSAMLSA-N 0 0 170.252 2.027 10 0 AEAERN CC[C@H](C)C(=O)[C@H]1CO[C@@H](C)C1 229248836 344587867 /nfs/dbraw/zinc/58/78/67/344587867.db2.gz BFSQYRISXHTBRS-XHNCKOQMSA-N 0 0 170.252 2.027 10 0 AEAERN CC[C@H](C)C(=O)[C@H]1CC[C@@H](C)O1 229250918 344587893 /nfs/dbraw/zinc/58/78/93/344587893.db2.gz RDVBLCNCWGHRNJ-DJLDLDEBSA-N 0 0 170.252 2.169 10 0 AEAERN CC[C@H](C)C(=O)[C@@H]1CC[C@@H](C)O1 229250899 344587926 /nfs/dbraw/zinc/58/79/26/344587926.db2.gz RDVBLCNCWGHRNJ-YIZRAAEISA-N 0 0 170.252 2.169 10 0 AEAERN CC[C@@H](O)C1C(C)(C)C1(C)C 229245226 344587980 /nfs/dbraw/zinc/58/79/80/344587980.db2.gz MHWYPBIPEYPGHI-SSDOTTSWSA-N 0 0 156.269 2.440 10 0 AEAERN O=C1C[C@@H](c2cccc(Cl)c2F)N1 229259749 344588450 /nfs/dbraw/zinc/58/84/50/344588450.db2.gz DGVPMJOIDORHNO-ZETCQYMHSA-N 0 0 199.612 2.040 10 0 AEAERN O=c1[nH]ccc2c(F)c(Cl)ccc12 229266762 344588539 /nfs/dbraw/zinc/58/85/39/344588539.db2.gz UDWASOIABYRUGC-UHFFFAOYSA-N 0 0 197.596 2.321 10 0 AEAERN O=C1C[C@H](c2cccc(Cl)c2F)N1 229259761 344588546 /nfs/dbraw/zinc/58/85/46/344588546.db2.gz DGVPMJOIDORHNO-SSDOTTSWSA-N 0 0 199.612 2.040 10 0 AEAERN CC[C@@](C)(O)CNc1cccc(F)c1 229307607 344590082 /nfs/dbraw/zinc/59/00/82/344590082.db2.gz YVULMJKFKIETCC-LLVKDONJSA-N 0 0 197.253 2.399 10 0 AEAERN CC[C@](C)(O)CNc1cccc(F)c1 229307619 344590329 /nfs/dbraw/zinc/59/03/29/344590329.db2.gz YVULMJKFKIETCC-NSHDSACASA-N 0 0 197.253 2.399 10 0 AEAERN CC[C@](C)(O)CNc1ccc(F)cc1 229308042 344590342 /nfs/dbraw/zinc/59/03/42/344590342.db2.gz WEYMIURXAOTKSZ-NSHDSACASA-N 0 0 197.253 2.399 10 0 AEAERN CC[C@@](C)(O)CNc1ccc(F)cc1 229308029 344590370 /nfs/dbraw/zinc/59/03/70/344590370.db2.gz WEYMIURXAOTKSZ-LLVKDONJSA-N 0 0 197.253 2.399 10 0 AEAERN NC(=S)C[C@H]1CCC2(CCCC2)O1 229314062 344590776 /nfs/dbraw/zinc/59/07/76/344590776.db2.gz ALODAMOJJUAHKI-MRVPVSSYSA-N 0 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/nfs/dbraw/zinc/59/73/72/344597372.db2.gz CDVICAXVYSCJQY-SECBINFHSA-N 0 0 198.291 2.042 10 0 AEAERN Cc1csc(N[C@@]2(C)CCOC2)n1 229478555 344597405 /nfs/dbraw/zinc/59/74/05/344597405.db2.gz CDVICAXVYSCJQY-VIFPVBQESA-N 0 0 198.291 2.042 10 0 AEAERN CC1(C)C[C@H]1C(=O)C1CC1 229488695 344597724 /nfs/dbraw/zinc/59/77/24/344597724.db2.gz CINAFIFIEMORFW-ZETCQYMHSA-N 0 0 138.210 2.012 10 0 AEAERN CCCC(=O)c1ccnc(C)c1 229488344 344597847 /nfs/dbraw/zinc/59/78/47/344597847.db2.gz ZZGPDQOEUXSMFK-UHFFFAOYSA-N 0 0 163.220 2.373 10 0 AEAERN Cc1ccc(C)n1[C@]1(C)CCOC1 229487507 344597879 /nfs/dbraw/zinc/59/78/79/344597879.db2.gz URTXWVRFVZVSTJ-LLVKDONJSA-N 0 0 179.263 2.240 10 0 AEAERN Cc1ccc(C)n1[C@@]1(C)CCOC1 229487499 344597998 /nfs/dbraw/zinc/59/79/98/344597998.db2.gz URTXWVRFVZVSTJ-NSHDSACASA-N 0 0 179.263 2.240 10 0 AEAERN CC1(C)C[C@@H]1C(=O)C1CC1 229488684 344598032 /nfs/dbraw/zinc/59/80/32/344598032.db2.gz CINAFIFIEMORFW-SSDOTTSWSA-N 0 0 138.210 2.012 10 0 AEAERN C[C@@H](C1CC1)[C@@H](O)c1ccoc1 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RHJOJKLOMCCOSB-BDAKNGLRSA-N 0 0 164.204 2.281 10 0 AEAERN CC(=O)[C@@H]1C[C@H]1c1occc1C 229533411 344601095 /nfs/dbraw/zinc/60/10/95/344601095.db2.gz RHJOJKLOMCCOSB-DTWKUNHWSA-N 0 0 164.204 2.281 10 0 AEAERN CC(=O)[C@H]1C[C@H]1c1occc1C 229533422 344601218 /nfs/dbraw/zinc/60/12/18/344601218.db2.gz RHJOJKLOMCCOSB-RKDXNWHRSA-N 0 0 164.204 2.281 10 0 AEAERN Cc1ccoc1[C@@H]1N[C@@H](C)CS1 229539036 344601460 /nfs/dbraw/zinc/60/14/60/344601460.db2.gz FWTCYCWBQDFSCW-IONNQARKSA-N 0 0 183.276 2.312 10 0 AEAERN Cc1ccoc1[C@H]1N[C@H](C)CS1 229539045 344601538 /nfs/dbraw/zinc/60/15/38/344601538.db2.gz FWTCYCWBQDFSCW-APPZFPTMSA-N 0 0 183.276 2.312 10 0 AEAERN Cc1ccoc1[C@H]1NCCCS1 229539077 344601561 /nfs/dbraw/zinc/60/15/61/344601561.db2.gz ULEJFLSTTIXPSV-VIFPVBQESA-N 0 0 183.276 2.313 10 0 AEAERN Cc1ccoc1[C@@H]1NC[C@H](C)S1 229539013 344601583 /nfs/dbraw/zinc/60/15/83/344601583.db2.gz GPQJAGLOSBVAQC-IONNQARKSA-N 0 0 183.276 2.312 10 0 AEAERN Cc1ccoc1[C@@H]1NC[C@@H](C)S1 229539005 344601657 /nfs/dbraw/zinc/60/16/57/344601657.db2.gz GPQJAGLOSBVAQC-VXNVDRBHSA-N 0 0 183.276 2.312 10 0 AEAERN Cc1ccoc1[C@H]1NC[C@H](C)S1 229538996 344601672 /nfs/dbraw/zinc/60/16/72/344601672.db2.gz GPQJAGLOSBVAQC-CBAPKCEASA-N 0 0 183.276 2.312 10 0 AEAERN Cc1ccoc1[C@@H]1N[C@H](C)CS1 229539026 344601695 /nfs/dbraw/zinc/60/16/95/344601695.db2.gz FWTCYCWBQDFSCW-VXNVDRBHSA-N 0 0 183.276 2.312 10 0 AEAERN Cc1ccoc1[C@@H]1NCCCS1 229539069 344601778 /nfs/dbraw/zinc/60/17/78/344601778.db2.gz ULEJFLSTTIXPSV-SECBINFHSA-N 0 0 183.276 2.313 10 0 AEAERN Cc1ccoc1[C@H]1N[C@@H](C)CS1 229539052 344601861 /nfs/dbraw/zinc/60/18/61/344601861.db2.gz FWTCYCWBQDFSCW-CBAPKCEASA-N 0 0 183.276 2.312 10 0 AEAERN Cc1ccoc1[C@H]1CC(=O)CCO1 229548667 344602210 /nfs/dbraw/zinc/60/22/10/344602210.db2.gz BMFPTKBNKCSWCV-SECBINFHSA-N 0 0 180.203 2.009 10 0 AEAERN CCC1(n2cnnc2Cl)CCC1 229554745 344602814 /nfs/dbraw/zinc/60/28/14/344602814.db2.gz BPGUJVVCQGAPLO-UHFFFAOYSA-N 0 0 185.658 2.221 10 0 AEAERN CCC1(NC(=O)C(C)(C)C)CCC1 229559729 344603632 /nfs/dbraw/zinc/60/36/32/344603632.db2.gz INTSAQVPBUBTIY-UHFFFAOYSA-N 0 0 183.295 2.481 10 0 AEAERN C[C@H]1CCN1c1cc(N)cc(F)c1 229564361 344604917 /nfs/dbraw/zinc/60/49/17/344604917.db2.gz CEXJNPQLYSTESJ-ZETCQYMHSA-N 0 0 180.226 2.007 10 0 AEAERN Nc1cc(F)cc(-c2ccc[nH]2)c1 229565413 344605062 /nfs/dbraw/zinc/60/50/62/344605062.db2.gz CLFSBCHAJCVKEN-UHFFFAOYSA-N 0 0 176.194 2.403 10 0 AEAERN CCC1CN(c2cc(N)cc(F)c2)C1 229564416 344605070 /nfs/dbraw/zinc/60/50/70/344605070.db2.gz RSEPQKKFJDPPRO-UHFFFAOYSA-N 0 0 194.253 2.254 10 0 AEAERN C[C@@H]1CCN1c1cc(N)cc(F)c1 229564358 344605168 /nfs/dbraw/zinc/60/51/68/344605168.db2.gz CEXJNPQLYSTESJ-SSDOTTSWSA-N 0 0 180.226 2.007 10 0 AEAERN CCC1(Nc2cncc(N)c2)CCC1 229571459 344605881 /nfs/dbraw/zinc/60/58/81/344605881.db2.gz LMAMTTOGXRSKEM-UHFFFAOYSA-N 0 0 191.278 2.408 10 0 AEAERN Cc1cc(-c2cnc(N)s2)ccn1 229579487 344606354 /nfs/dbraw/zinc/60/63/54/344606354.db2.gz UJWWBHJADUXOBG-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1cc(-c2cccnc2N)ccn1 229579391 344606670 /nfs/dbraw/zinc/60/66/70/344606670.db2.gz QIIOLQAPVBCYEC-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1cc(-c2cncc(O)c2)ccn1 229601049 344607023 /nfs/dbraw/zinc/60/70/23/344607023.db2.gz LYJQYGZTOPMPGL-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN CC[C@H]1CCC[C@H]1n1nccc1N 229645900 344608566 /nfs/dbraw/zinc/60/85/66/344608566.db2.gz YYSAXSPHCXALDO-DTWKUNHWSA-N 0 0 179.267 2.217 10 0 AEAERN CC[C@H]1CCC[C@@H]1n1nccc1N 229645884 344608582 /nfs/dbraw/zinc/60/85/82/344608582.db2.gz YYSAXSPHCXALDO-IUCAKERBSA-N 0 0 179.267 2.217 10 0 AEAERN CC[C@@H]1CCC[C@H]1n1nccc1N 229645893 344608653 /nfs/dbraw/zinc/60/86/53/344608653.db2.gz YYSAXSPHCXALDO-RKDXNWHRSA-N 0 0 179.267 2.217 10 0 AEAERN CC[C@H]1CCC[C@]1(O)C(F)(F)F 229665145 344609627 /nfs/dbraw/zinc/60/96/27/344609627.db2.gz MNUJWZTYRBFDIQ-NKWVEPMBSA-N 0 0 182.185 2.490 10 0 AEAERN CC[C@@H]1CCC[C@]1(O)C(F)(F)F 229665140 344609658 /nfs/dbraw/zinc/60/96/58/344609658.db2.gz MNUJWZTYRBFDIQ-RNFRBKRXSA-N 0 0 182.185 2.490 10 0 AEAERN C[C@@H](NN)C1CCCCCCC1 229661391 344609702 /nfs/dbraw/zinc/60/97/02/344609702.db2.gz ITPGKMSRADIBJV-SECBINFHSA-N 0 0 170.300 2.199 10 0 AEAERN CC[C@@H]1CCC[C@@]1(O)C(F)(F)F 229665130 344609818 /nfs/dbraw/zinc/60/98/18/344609818.db2.gz MNUJWZTYRBFDIQ-RQJHMYQMSA-N 0 0 182.185 2.490 10 0 AEAERN CC[C@@H]1CCC[C@]1(N)C(F)(F)F 229667347 344610026 /nfs/dbraw/zinc/61/00/26/344610026.db2.gz FPCJONQBBYSANA-RNFRBKRXSA-N 0 0 181.201 2.456 10 0 AEAERN CCNc1n[nH]c2c1CC[C@H]2CC 229666913 344610060 /nfs/dbraw/zinc/61/00/60/344610060.db2.gz SIVCJIXPWVRVOS-SSDOTTSWSA-N 0 0 179.267 2.281 10 0 AEAERN CC[C@@H]1CCC[C@@]1(N)C(F)(F)F 229667333 344610073 /nfs/dbraw/zinc/61/00/73/344610073.db2.gz FPCJONQBBYSANA-RQJHMYQMSA-N 0 0 181.201 2.456 10 0 AEAERN CC[C@@H]1CCC[C@]12CC(=O)CCO2 229668070 344610633 /nfs/dbraw/zinc/61/06/33/344610633.db2.gz POWDYYKLAFLICW-KOLCDFICSA-N 0 0 182.263 2.315 10 0 AEAERN CC[C@H]1CCC[C@]12CC(=O)CCO2 229668075 344610649 /nfs/dbraw/zinc/61/06/49/344610649.db2.gz POWDYYKLAFLICW-ONGXEEELSA-N 0 0 182.263 2.315 10 0 AEAERN CC[C@@H]1CCC[C@@]12CC(=O)N[C@@H]2C 229676519 344610964 /nfs/dbraw/zinc/61/09/64/344610964.db2.gz LMYALLSJUIGKCN-KKZNHRDASA-N 0 0 181.279 2.091 10 0 AEAERN CC[C@@H]1CCC[C@]12CC(=O)N[C@@H]2C 229676533 344611004 /nfs/dbraw/zinc/61/10/04/344611004.db2.gz LMYALLSJUIGKCN-FXPVBKGRSA-N 0 0 181.279 2.091 10 0 AEAERN CC[C@@H]1CCc2c1nc1ncccn21 229679278 344611259 /nfs/dbraw/zinc/61/12/59/344611259.db2.gz NINQJNJIWKOJPF-MRVPVSSYSA-N 0 0 187.246 2.169 10 0 AEAERN CC[C@@H]1CCc2c1nc1cnccn21 229679402 344611262 /nfs/dbraw/zinc/61/12/62/344611262.db2.gz RTIUHJGLKIWZOX-MRVPVSSYSA-N 0 0 187.246 2.169 10 0 AEAERN CC[C@H]1CCc2c1nc1cnccn21 229679409 344611302 /nfs/dbraw/zinc/61/13/02/344611302.db2.gz RTIUHJGLKIWZOX-QMMMGPOBSA-N 0 0 187.246 2.169 10 0 AEAERN CC[C@H]1CCc2c1nc1ncccn21 229679284 344611449 /nfs/dbraw/zinc/61/14/49/344611449.db2.gz NINQJNJIWKOJPF-QMMMGPOBSA-N 0 0 187.246 2.169 10 0 AEAERN Cc1cnn([C@@H](C)CC2CC2)c1N 229703722 344612121 /nfs/dbraw/zinc/61/21/21/344612121.db2.gz XZDZMNUZFPNZNF-QMMMGPOBSA-N 0 0 179.267 2.135 10 0 AEAERN C[C@H](Nc1nccs1)c1cn[nH]c1 229730597 344613041 /nfs/dbraw/zinc/61/30/41/344613041.db2.gz CEJYXCMCEIAIQQ-LURJTMIESA-N 0 0 194.263 2.039 10 0 AEAERN CC(C)C[C@@](C)(O)C1=COCCC1 229741375 344613432 /nfs/dbraw/zinc/61/34/32/344613432.db2.gz XKXHJMMHYUEWGQ-LLVKDONJSA-N 0 0 184.279 2.478 10 0 AEAERN C[C@](O)(CC1CCC1)C1CC1 229736334 344613448 /nfs/dbraw/zinc/61/34/48/344613448.db2.gz LNSGJSDKTPKUHO-JTQLQIEISA-N 0 0 154.253 2.338 10 0 AEAERN C[C@@](O)(CC1CCC1)c1cccnc1 229735860 344613451 /nfs/dbraw/zinc/61/34/51/344613451.db2.gz VLGSOXBZQVMZSJ-GFCCVEGCSA-N 0 0 191.274 2.479 10 0 AEAERN CC(C)NC1=[NH+][C@H](C)[C@H](C)CS1 229743797 344613464 /nfs/dbraw/zinc/61/34/64/344613464.db2.gz AMVXXPOVQRGAKE-HTQZYQBOSA-N 0 0 186.324 2.112 10 0 AEAERN Cc1ccncc1[C@@](C)(O)CC1CC1 229746976 344613489 /nfs/dbraw/zinc/61/34/89/344613489.db2.gz RRLHTLDRUQLMOR-LBPRGKRZSA-N 0 0 191.274 2.398 10 0 AEAERN CC(C)C[C@](C)(O)C1=COCCC1 229741381 344613521 /nfs/dbraw/zinc/61/35/21/344613521.db2.gz XKXHJMMHYUEWGQ-NSHDSACASA-N 0 0 184.279 2.478 10 0 AEAERN C[C@@](O)(CC1CCC1)C1CC1 229736329 344613524 /nfs/dbraw/zinc/61/35/24/344613524.db2.gz LNSGJSDKTPKUHO-SNVBAGLBSA-N 0 0 154.253 2.338 10 0 AEAERN Cc1ccncc1[C@](C)(O)CC1CC1 229746983 344613551 /nfs/dbraw/zinc/61/35/51/344613551.db2.gz RRLHTLDRUQLMOR-GFCCVEGCSA-N 0 0 191.274 2.398 10 0 AEAERN CC[C@](C)(O)CC1CCC1 229737573 344613569 /nfs/dbraw/zinc/61/35/69/344613569.db2.gz VRWSBJRKPKVHRR-VIFPVBQESA-N 0 0 142.242 2.338 10 0 AEAERN CC[C@@](C)(O)CC1CCC1 229737567 344613594 /nfs/dbraw/zinc/61/35/94/344613594.db2.gz VRWSBJRKPKVHRR-SECBINFHSA-N 0 0 142.242 2.338 10 0 AEAERN CC(C)NC1=[NH+][C@H](C)[C@@H](C)CS1 229743785 344613683 /nfs/dbraw/zinc/61/36/83/344613683.db2.gz AMVXXPOVQRGAKE-JGVFFNPUSA-N 0 0 186.324 2.112 10 0 AEAERN C[C@](O)(CC1CCC1)c1cccnc1 229735865 344613714 /nfs/dbraw/zinc/61/37/14/344613714.db2.gz VLGSOXBZQVMZSJ-LBPRGKRZSA-N 0 0 191.274 2.479 10 0 AEAERN C[C@@H]1CSC(NC2CCC2)=[NH+][C@H]1C 229750358 344613909 /nfs/dbraw/zinc/61/39/09/344613909.db2.gz MOIBYCOEGXCIMM-SFYZADRCSA-N 0 0 198.335 2.256 10 0 AEAERN CC(C)[N@H+](C)Cc1cccc(N)c1F 229752620 344613959 /nfs/dbraw/zinc/61/39/59/344613959.db2.gz JQINCYDFANJSJB-UHFFFAOYSA-N 0 0 196.269 2.248 10 0 AEAERN C[C@@H]1CSC(NC2CCC2)=[NH+][C@@H]1C 229750348 344613976 /nfs/dbraw/zinc/61/39/76/344613976.db2.gz MOIBYCOEGXCIMM-HTQZYQBOSA-N 0 0 198.335 2.256 10 0 AEAERN C[N@H+](Cc1cccc(N)c1F)C1CC1 229753215 344614065 /nfs/dbraw/zinc/61/40/65/344614065.db2.gz OHRZSHASLLUVOO-UHFFFAOYSA-N 0 0 194.253 2.002 10 0 AEAERN C[C@](O)(CC1CC1)c1ccoc1 229750480 344614104 /nfs/dbraw/zinc/61/41/04/344614104.db2.gz WIMDARXBVJEPKY-JTQLQIEISA-N 0 0 166.220 2.287 10 0 AEAERN C[C@@](O)(CC1CC1)C(F)(F)F 229750903 344614127 /nfs/dbraw/zinc/61/41/27/344614127.db2.gz CEIZUYMBRGZWIN-ZCFIWIBFSA-N 0 0 168.158 2.100 10 0 AEAERN C[C@](O)(CC1CC1)C(F)(F)F 229750909 344614140 /nfs/dbraw/zinc/61/41/40/344614140.db2.gz CEIZUYMBRGZWIN-LURJTMIESA-N 0 0 168.158 2.100 10 0 AEAERN C[C@@](O)(CC1CC1)c1ccoc1 229750477 344614152 /nfs/dbraw/zinc/61/41/52/344614152.db2.gz WIMDARXBVJEPKY-SNVBAGLBSA-N 0 0 166.220 2.287 10 0 AEAERN C[C@](N)(CC1CC1)C(F)(F)F 229755088 344614382 /nfs/dbraw/zinc/61/43/82/344614382.db2.gz AXLCHSJFNKSEMV-LURJTMIESA-N 0 0 167.174 2.066 10 0 AEAERN C[C@@]1(CC2CCC2)CC(=O)CCO1 229755515 344614419 /nfs/dbraw/zinc/61/44/19/344614419.db2.gz ZGIYIHLEBHSFDO-LLVKDONJSA-N 0 0 182.263 2.315 10 0 AEAERN C[C@@]1(CC2CCC2)C[C@H](O)CCO1 229755485 344614476 /nfs/dbraw/zinc/61/44/76/344614476.db2.gz VAKLKYHOKFTHJI-GHMZBOCLSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@]1(CC2CCC2)C[C@H](O)CCO1 229755490 344614525 /nfs/dbraw/zinc/61/45/25/344614525.db2.gz VAKLKYHOKFTHJI-MNOVXSKESA-N 0 0 184.279 2.107 10 0 AEAERN C[C@@]1(CC2CCC2)C[C@@H](O)CCO1 229755474 344614626 /nfs/dbraw/zinc/61/46/26/344614626.db2.gz VAKLKYHOKFTHJI-WDEREUQCSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@]1(CC2CCC2)C[C@@H](O)CCO1 229755479 344614642 /nfs/dbraw/zinc/61/46/42/344614642.db2.gz VAKLKYHOKFTHJI-QWRGUYRKSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@]1(CC2CCC2)CC(=O)CCO1 229755519 344614645 /nfs/dbraw/zinc/61/46/45/344614645.db2.gz ZGIYIHLEBHSFDO-NSHDSACASA-N 0 0 182.263 2.315 10 0 AEAERN C[C@@](N)(CC1CC1)C(F)(F)F 229755082 344614750 /nfs/dbraw/zinc/61/47/50/344614750.db2.gz AXLCHSJFNKSEMV-ZCFIWIBFSA-N 0 0 167.174 2.066 10 0 AEAERN C[C@@H]1NC(=O)C[C@@]1(C)CC1CCC1 229765269 344614996 /nfs/dbraw/zinc/61/49/96/344614996.db2.gz NRSVZGIRDUZVPT-GZMMTYOYSA-N 0 0 181.279 2.091 10 0 AEAERN CC1(C)NC(=O)C[C@]1(C)CC1CCC1 229765318 344615406 /nfs/dbraw/zinc/61/54/06/344615406.db2.gz VZMQUGWIGZRXAG-LBPRGKRZSA-N 0 0 195.306 2.481 10 0 AEAERN CC1(C)NC(=O)C[C@]1(C)CC1CC1 229765300 344615570 /nfs/dbraw/zinc/61/55/70/344615570.db2.gz SOYWFGBYQXITME-NSHDSACASA-N 0 0 181.279 2.091 10 0 AEAERN CC1(C)NC(=O)C[C@@]1(C)CC1CC1 229765293 344615622 /nfs/dbraw/zinc/61/56/22/344615622.db2.gz SOYWFGBYQXITME-LLVKDONJSA-N 0 0 181.279 2.091 10 0 AEAERN C[C@@H]1NC(=O)C[C@]1(C)CC1CCC1 229765279 344615634 /nfs/dbraw/zinc/61/56/34/344615634.db2.gz NRSVZGIRDUZVPT-KWQFWETISA-N 0 0 181.279 2.091 10 0 AEAERN CC(C)c1c(N)n[nH]c1[C@@H]1C[C@H]1C 229823989 344617074 /nfs/dbraw/zinc/61/70/74/344617074.db2.gz JUXIEXCPGJELIL-RNFRBKRXSA-N 0 0 179.267 2.239 10 0 AEAERN CC(C)c1c(N)n[nH]c1[C@H]1C[C@@H]1C 229823981 344617135 /nfs/dbraw/zinc/61/71/35/344617135.db2.gz JUXIEXCPGJELIL-BQBZGAKWSA-N 0 0 179.267 2.239 10 0 AEAERN CC(C)c1c(N)n[nH]c1C1CCC1 229822155 344617141 /nfs/dbraw/zinc/61/71/41/344617141.db2.gz IPBMCTMCJPEFSR-UHFFFAOYSA-N 0 0 179.267 2.383 10 0 AEAERN CC(C)Cc1[nH]nc(N)c1C(C)C 229820311 344617148 /nfs/dbraw/zinc/61/71/48/344617148.db2.gz HCOZNZFKIIKNOY-UHFFFAOYSA-N 0 0 181.283 2.314 10 0 AEAERN CC(C)c1c(N)n[nH]c1C(C)(C)C 229819297 344617249 /nfs/dbraw/zinc/61/72/49/344617249.db2.gz IFGLOHWMBBDULH-UHFFFAOYSA-N 0 0 181.283 2.413 10 0 AEAERN CC(C)c1c(N)n[nH]c1C(F)(F)F 229821876 344617279 /nfs/dbraw/zinc/61/72/79/344617279.db2.gz 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190.655 2.043 10 0 AEAERN CC(C)Cc1nc(Cl)ns1 230112945 344626681 /nfs/dbraw/zinc/62/66/81/344626681.db2.gz UGIQDSFZXUEKKW-UHFFFAOYSA-N 0 0 176.672 2.390 10 0 AEAERN CC(C)(C)c1nc(Cl)ns1 230113619 344626697 /nfs/dbraw/zinc/62/66/97/344626697.db2.gz MCTNEIRFFVOJBP-UHFFFAOYSA-N 0 0 176.672 2.489 10 0 AEAERN Clc1nsc(-c2ccco2)n1 230112718 344626706 /nfs/dbraw/zinc/62/67/06/344626706.db2.gz PFORPSKPZFQGNU-UHFFFAOYSA-N 0 0 186.623 2.452 10 0 AEAERN C[C@H]1C[C@H]1c1nc(Cl)ns1 230114201 344626708 /nfs/dbraw/zinc/62/67/08/344626708.db2.gz TXKOWWQVXUYGPF-IUYQGCFVSA-N 0 0 174.656 2.315 10 0 AEAERN Clc1nsc(CC2CC2)n1 230112795 344626722 /nfs/dbraw/zinc/62/67/22/344626722.db2.gz MEQHEHJUVVBPLI-UHFFFAOYSA-N 0 0 174.656 2.144 10 0 AEAERN C[C@@H]1C[C@@H]1c1nc(Cl)ns1 230114190 344626730 /nfs/dbraw/zinc/62/67/30/344626730.db2.gz TXKOWWQVXUYGPF-DMTCNVIQSA-N 0 0 174.656 2.315 10 0 AEAERN Clc1nsc([C@H]2CCCO2)n1 230113220 344626732 /nfs/dbraw/zinc/62/67/32/344626732.db2.gz PQKNDOFREKXXFG-SCSAIBSYSA-N 0 0 190.655 2.043 10 0 AEAERN Clc1nsc(-c2ccccn2)n1 230113180 344626749 /nfs/dbraw/zinc/62/67/49/344626749.db2.gz AQHFXNZNWCJOBX-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN Clc1nsc(C2CCC2)n1 230113240 344626752 /nfs/dbraw/zinc/62/67/52/344626752.db2.gz LEGQPTOEODXHMF-UHFFFAOYSA-N 0 0 174.656 2.459 10 0 AEAERN Clc1nsc(-c2cccnc2)n1 230112860 344626754 /nfs/dbraw/zinc/62/67/54/344626754.db2.gz DLWNGXRUPWPVFY-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN Clc1nsc(-c2ccoc2)n1 230114152 344626759 /nfs/dbraw/zinc/62/67/59/344626759.db2.gz BKGPHXLCRYWNGY-UHFFFAOYSA-N 0 0 186.623 2.452 10 0 AEAERN CC1(CNc2ccnc(Cl)n2)CC1 230148837 344626890 /nfs/dbraw/zinc/62/68/90/344626890.db2.gz NACBLPCKQFVPAY-UHFFFAOYSA-N 0 0 197.669 2.342 10 0 AEAERN C[C@H]1CCC[C@H]1C(=O)N1CCCC1 230147483 344626904 /nfs/dbraw/zinc/62/69/04/344626904.db2.gz BBWYMQXCAXSAAD-VHSXEESVSA-N 0 0 181.279 2.045 10 0 AEAERN C[C@H]1CCC[C@H]1C(=O)N1CCCCC1 230147364 344626929 /nfs/dbraw/zinc/62/69/29/344626929.db2.gz ZGVKATGJYHBIJY-WDEREUQCSA-N 0 0 195.306 2.435 10 0 AEAERN CCC[C@H]1C[C@@H]1Nc1ncc(C)cn1 230144458 344626934 /nfs/dbraw/zinc/62/69/34/344626934.db2.gz PTORRDSHBSWSQM-UWVGGRQHSA-N 0 0 191.278 2.386 10 0 AEAERN CC[C@@H]1C[C@@H]1Nc1ccnc(Cl)n1 230147585 344626937 /nfs/dbraw/zinc/62/69/37/344626937.db2.gz HZIFVXFSTYQGTG-RQJHMYQMSA-N 0 0 197.669 2.340 10 0 AEAERN CCC[C@@H]1C[C@@H]1Nc1ncc(C)cn1 230144455 344626989 /nfs/dbraw/zinc/62/69/89/344626989.db2.gz PTORRDSHBSWSQM-ZJUUUORDSA-N 0 0 191.278 2.386 10 0 AEAERN C[C@H]1CCC[C@@H]1C(=O)N1CCCCC1 230147354 344627008 /nfs/dbraw/zinc/62/70/08/344627008.db2.gz ZGVKATGJYHBIJY-QWRGUYRKSA-N 0 0 195.306 2.435 10 0 AEAERN Cc1ncnc(NC2CC=CC2)c1F 230150797 344627021 /nfs/dbraw/zinc/62/70/21/344627021.db2.gz MFTYMXHKXOMEDN-UHFFFAOYSA-N 0 0 193.225 2.055 10 0 AEAERN CC[C@H]1C[C@@H]1Nc1ccnc(Cl)n1 230147589 344627040 /nfs/dbraw/zinc/62/70/40/344627040.db2.gz HZIFVXFSTYQGTG-BQBZGAKWSA-N 0 0 197.669 2.340 10 0 AEAERN CC[C@H]1C[C@H]1Nc1ccnc(Cl)n1 230147597 344627042 /nfs/dbraw/zinc/62/70/42/344627042.db2.gz HZIFVXFSTYQGTG-NKWVEPMBSA-N 0 0 197.669 2.340 10 0 AEAERN Cc1cnc(NC(C)(C)C2CC2)nc1 230144107 344627049 /nfs/dbraw/zinc/62/70/49/344627049.db2.gz MXFLMZHIFXCZNA-UHFFFAOYSA-N 0 0 191.278 2.386 10 0 AEAERN CCC[C@H]1C[C@H]1Nc1ncc(C)cn1 230144467 344627143 /nfs/dbraw/zinc/62/71/43/344627143.db2.gz PTORRDSHBSWSQM-VHSXEESVSA-N 0 0 191.278 2.386 10 0 AEAERN CC[C@@H]1C[C@H]1Nc1ccnc(Cl)n1 230147594 344627190 /nfs/dbraw/zinc/62/71/90/344627190.db2.gz HZIFVXFSTYQGTG-RNFRBKRXSA-N 0 0 197.669 2.340 10 0 AEAERN Cc1cnc(NCC2(C)CCC2)nc1 230144634 344627217 /nfs/dbraw/zinc/62/72/17/344627217.db2.gz ZBUAAWFUWIIHMH-UHFFFAOYSA-N 0 0 191.278 2.387 10 0 AEAERN Clc1nccc(NC2CC=CC2)n1 230151257 344627220 /nfs/dbraw/zinc/62/72/20/344627220.db2.gz KCYHYWJDTZJMDQ-UHFFFAOYSA-N 0 0 195.653 2.261 10 0 AEAERN Cc1ccc(Cl)c(NCCCO)c1 230213152 344629127 /nfs/dbraw/zinc/62/91/27/344629127.db2.gz BAWWGXGDKCGKCU-UHFFFAOYSA-N 0 0 199.681 2.443 10 0 AEAERN Cc1ccc(Cl)c2[nH]c(=O)ccc12 230279049 344630370 /nfs/dbraw/zinc/63/03/70/344630370.db2.gz NTHZLDYVLOCFAK-UHFFFAOYSA-N 0 0 193.633 2.490 10 0 AEAERN CC1(CNc2ncns2)CCC1 230344679 344631362 /nfs/dbraw/zinc/63/13/62/344631362.db2.gz FXGJHTDZBIODCV-UHFFFAOYSA-N 0 0 183.280 2.140 10 0 AEAERN Cc1nn(C)cc1NCC(C)(C)C 230350439 344631474 /nfs/dbraw/zinc/63/14/74/344631474.db2.gz HHGBUEQQBSYYTG-UHFFFAOYSA-N 0 0 181.283 2.187 10 0 AEAERN C[C@H](O)[C@H](C)[C@@H]1C=CCCC1 230363084 344632046 /nfs/dbraw/zinc/63/20/46/344632046.db2.gz XZSHBHNVKXTFCT-LPEHRKFASA-N 0 0 154.253 2.360 10 0 AEAERN C[C@H](O)[C@@H](C)[C@@H]1C=CCCC1 230363080 344632187 /nfs/dbraw/zinc/63/21/87/344632187.db2.gz XZSHBHNVKXTFCT-KXUCPTDWSA-N 0 0 154.253 2.360 10 0 AEAERN O=C1Sc2ccc(Cl)cc2C1=O 230384556 344633510 /nfs/dbraw/zinc/63/35/10/344633510.db2.gz NJQJEXMGOHJDCY-UHFFFAOYSA-N 0 0 198.630 2.155 10 0 AEAERN CCc1nc(Br)oc1C 230399347 344634882 /nfs/dbraw/zinc/63/48/82/344634882.db2.gz ROHBRJNMSYRMTP-UHFFFAOYSA-N 0 0 190.040 2.308 10 0 AEAERN 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2.049 10 0 AEAERN CCC(C)(CC)Nc1ncncc1N 230953900 344646380 /nfs/dbraw/zinc/64/63/80/344646380.db2.gz WKCJXSNIMZHTDR-UHFFFAOYSA-N 0 0 194.282 2.049 10 0 AEAERN CCC(C)(CC)Nc1ccc(N)nn1 230974243 344646630 /nfs/dbraw/zinc/64/66/30/344646630.db2.gz BFGFPNBIVAMACL-UHFFFAOYSA-N 0 0 194.282 2.049 10 0 AEAERN Cc1cc2cc(O)cnc2cc1F 230982715 344646631 /nfs/dbraw/zinc/64/66/31/344646631.db2.gz AJKAWZSYKVBDHK-UHFFFAOYSA-N 0 0 177.178 2.388 10 0 AEAERN Oc1cnc2c(F)c(F)c(F)cc2c1 230982488 344646721 /nfs/dbraw/zinc/64/67/21/344646721.db2.gz SYXZQHIUXFTBRW-UHFFFAOYSA-N 0 0 199.131 2.358 10 0 AEAERN COCc1cccc2cc(O)cnc12 230982645 344646762 /nfs/dbraw/zinc/64/67/62/344646762.db2.gz ROUUBUCVTJHURF-UHFFFAOYSA-N 0 0 189.214 2.087 10 0 AEAERN Oc1cnc2c(F)c(F)cc(F)c2c1 230982660 344646789 /nfs/dbraw/zinc/64/67/89/344646789.db2.gz BVPQYEUPWHXRPC-UHFFFAOYSA-N 0 0 199.131 2.358 10 0 AEAERN Cc1cc(F)cc2ncc(O)cc12 230982683 344646795 /nfs/dbraw/zinc/64/67/95/344646795.db2.gz VRNSIMXVWJLBTG-UHFFFAOYSA-N 0 0 177.178 2.388 10 0 AEAERN CC(C)[C@@H]1CCC[C@H](NN(C)C)C1 230997009 344647164 /nfs/dbraw/zinc/64/71/64/344647164.db2.gz WJZCERBMTDHNCY-MNOVXSKESA-N 0 0 184.327 2.267 10 0 AEAERN CC(C)[C@@H]1CCC[C@@H](NN(C)C)C1 230997003 344647215 /nfs/dbraw/zinc/64/72/15/344647215.db2.gz WJZCERBMTDHNCY-GHMZBOCLSA-N 0 0 184.327 2.267 10 0 AEAERN CC(C)[C@H]1CCC[C@H](NN(C)C)C1 230997012 344647247 /nfs/dbraw/zinc/64/72/47/344647247.db2.gz WJZCERBMTDHNCY-QWRGUYRKSA-N 0 0 184.327 2.267 10 0 AEAERN CC(C)[C@H]1CCC[C@H](NO)C1 230996719 344647295 /nfs/dbraw/zinc/64/72/95/344647295.db2.gz PRLHYZWCILCHRZ-IUCAKERBSA-N 0 0 157.257 2.180 10 0 AEAERN CC(C)[C@H]1CCC[C@@H](NN(C)C)C1 230997006 344647305 /nfs/dbraw/zinc/64/73/05/344647305.db2.gz WJZCERBMTDHNCY-WDEREUQCSA-N 0 0 184.327 2.267 10 0 AEAERN COC(C)(C)c1nc(Cl)ns1 230992973 344647311 /nfs/dbraw/zinc/64/73/11/344647311.db2.gz XQDVASSPUPMKBJ-UHFFFAOYSA-N 0 0 192.671 2.073 10 0 AEAERN CC(C)[C@@H]1CCC[C@@H](NO)C1 230996710 344647346 /nfs/dbraw/zinc/64/73/46/344647346.db2.gz PRLHYZWCILCHRZ-RKDXNWHRSA-N 0 0 157.257 2.180 10 0 AEAERN CC(C)[C@@H]1CCC[C@]2(CC(=O)N2)C1 231018067 344647633 /nfs/dbraw/zinc/64/76/33/344647633.db2.gz IYWBQHPAWCNQPT-MWLCHTKSSA-N 0 0 181.279 2.091 10 0 AEAERN CC[C@H]1C[C@H]1Nc1nc(C)cnc1C 231037262 344647705 /nfs/dbraw/zinc/64/77/05/344647705.db2.gz XPIFUHHEWZRGAG-VHSXEESVSA-N 0 0 191.278 2.304 10 0 AEAERN CC[C@H]1C[C@@H]1Nc1nc(C)cnc1C 231037256 344647755 /nfs/dbraw/zinc/64/77/55/344647755.db2.gz XPIFUHHEWZRGAG-UWVGGRQHSA-N 0 0 191.278 2.304 10 0 AEAERN CC(C)[C@@H]1CCC[C@@]2(CC(=O)N2)C1 231018062 344647786 /nfs/dbraw/zinc/64/77/86/344647786.db2.gz IYWBQHPAWCNQPT-KOLCDFICSA-N 0 0 181.279 2.091 10 0 AEAERN CCOc1cccc2c1CCCN2 231099550 344648277 /nfs/dbraw/zinc/64/82/77/344648277.db2.gz ACJJUBSPRAMJTK-UHFFFAOYSA-N 0 0 177.247 2.443 10 0 AEAERN FC(F)Oc1cnccc1Cl 231136709 344648729 /nfs/dbraw/zinc/64/87/29/344648729.db2.gz CETSCUHRVFHHTK-UHFFFAOYSA-N 0 0 179.553 2.336 10 0 AEAERN Cc1cc([C@H](O)C(C)C)c(C)[nH]1 231150020 344648745 /nfs/dbraw/zinc/64/87/45/344648745.db2.gz PURBQHROANBODZ-SNVBAGLBSA-N 0 0 167.252 2.321 10 0 AEAERN Cc1cc([C@@H](O)C(C)C)c(C)[nH]1 231150040 344648767 /nfs/dbraw/zinc/64/87/67/344648767.db2.gz PURBQHROANBODZ-JTQLQIEISA-N 0 0 167.252 2.321 10 0 AEAERN COC(=O)[C@H](C)S[C@@H](C)C(C)C 231192699 344649544 /nfs/dbraw/zinc/64/95/44/344649544.db2.gz IDMNYEXYYXGPAE-YUMQZZPRSA-N 0 0 190.308 2.326 10 0 AEAERN COC(=O)[C@@H](C)S[C@@H](C)C(C)C 231192688 344649561 /nfs/dbraw/zinc/64/95/61/344649561.db2.gz IDMNYEXYYXGPAE-JGVFFNPUSA-N 0 0 190.308 2.326 10 0 AEAERN CC[C@@H](C)NC(=O)CC1CCC1 231279599 344649906 /nfs/dbraw/zinc/64/99/06/344649906.db2.gz FXUNBGAVSVLEHQ-MRVPVSSYSA-N 0 0 169.268 2.091 10 0 AEAERN CCSCc1cnc(Cl)cn1 231291614 344650040 /nfs/dbraw/zinc/65/00/40/344650040.db2.gz CSBKEZFZRYJGOO-UHFFFAOYSA-N 0 0 188.683 2.383 10 0 AEAERN CC[C@H](C)NC(=O)CC1CCC1 231279612 344650080 /nfs/dbraw/zinc/65/00/80/344650080.db2.gz FXUNBGAVSVLEHQ-QMMMGPOBSA-N 0 0 169.268 2.091 10 0 AEAERN Clc1cnc(COC2CCC2)cn1 231290469 344650085 /nfs/dbraw/zinc/65/00/85/344650085.db2.gz RLVJZKAZYKXXRE-UHFFFAOYSA-N 0 0 198.653 2.199 10 0 AEAERN CC(C)OCc1cnc(Cl)cn1 231289319 344650163 /nfs/dbraw/zinc/65/01/63/344650163.db2.gz FAAQRYQTLOCYLG-UHFFFAOYSA-N 0 0 186.642 2.055 10 0 AEAERN CC(C)[C@]12C[C@H]1[C@H](C)C[C@@H]2O 231213864 344650208 /nfs/dbraw/zinc/65/02/08/344650208.db2.gz KZJJTJOSRQYMGN-XFWSIPNHSA-N 0 0 154.253 2.049 10 0 AEAERN CCN(CC)C(=O)CC1CCC1 231280194 344650209 /nfs/dbraw/zinc/65/02/09/344650209.db2.gz GOWILMUZTVRKMB-UHFFFAOYSA-N 0 0 169.268 2.045 10 0 AEAERN OC[C@H]1CCCC[C@H]1n1cccc1 231373556 344652200 /nfs/dbraw/zinc/65/22/00/344652200.db2.gz AIWCEYWHYALTIN-GHMZBOCLSA-N 0 0 179.263 2.212 10 0 AEAERN OC[C@H]1CCCC[C@@H]1n1cccc1 231373501 344652296 /nfs/dbraw/zinc/65/22/96/344652296.db2.gz AIWCEYWHYALTIN-MNOVXSKESA-N 0 0 179.263 2.212 10 0 AEAERN Fc1cc(N[C@H]2CCSC2)ccn1 231377731 344652332 /nfs/dbraw/zinc/65/23/32/344652332.db2.gz VDPUPLAGINAPEN-QMMMGPOBSA-N 0 0 198.266 2.138 10 0 AEAERN c1ccn([C@H]2CCSC2)c1 231384673 344652358 /nfs/dbraw/zinc/65/23/58/344652358.db2.gz IGZHLMSUQQUFFO-QMMMGPOBSA-N 0 0 153.250 2.166 10 0 AEAERN c1ccn([C@@H]2CCSC2)c1 231384641 344652413 /nfs/dbraw/zinc/65/24/13/344652413.db2.gz IGZHLMSUQQUFFO-MRVPVSSYSA-N 0 0 153.250 2.166 10 0 AEAERN OC[C@@H]1CCCC[C@@H]1n1cccc1 231373471 344652463 /nfs/dbraw/zinc/65/24/63/344652463.db2.gz AIWCEYWHYALTIN-QWRGUYRKSA-N 0 0 179.263 2.212 10 0 AEAERN Fc1cc(N[C@@H]2CCSC2)ccn1 231377707 344652496 /nfs/dbraw/zinc/65/24/96/344652496.db2.gz VDPUPLAGINAPEN-MRVPVSSYSA-N 0 0 198.266 2.138 10 0 AEAERN O=C1CCC(c2cncs2)CC1 231441366 344653432 /nfs/dbraw/zinc/65/34/32/344653432.db2.gz KLACSXOGUAHIMN-UHFFFAOYSA-N 0 0 181.260 2.370 10 0 AEAERN CCNc1ncc2sccc2n1 231448945 344653604 /nfs/dbraw/zinc/65/36/04/344653604.db2.gz LCZPGXHNWAEVBV-UHFFFAOYSA-N 0 0 179.248 2.123 10 0 AEAERN Cc1cc(C)c2c(c1)C=C2N 231503197 344654009 /nfs/dbraw/zinc/65/40/09/344654009.db2.gz BMCBKBWLFOGMRY-UHFFFAOYSA-N 0 0 145.205 2.074 10 0 AEAERN CCCC(O)(CCC)CCCO 231533539 344654109 /nfs/dbraw/zinc/65/41/09/344654109.db2.gz MOSMLUDUMRVXTN-UHFFFAOYSA-N 0 0 174.284 2.090 10 0 AEAERN Fc1cncc(OC(F)(F)F)c1 231549370 344654195 /nfs/dbraw/zinc/65/41/95/344654195.db2.gz MXYUUAOMYBQSEP-UHFFFAOYSA-N 0 0 181.088 2.119 10 0 AEAERN CC(C)(C)Cc1cc(=O)[nH]c(=S)[nH]1 231517764 344654246 /nfs/dbraw/zinc/65/42/46/344654246.db2.gz HPZLLCFHBFROPX-UHFFFAOYSA-N 0 0 198.291 2.021 10 0 AEAERN CC(C)c1ccc(=S)[nH]n1 231588029 344655237 /nfs/dbraw/zinc/65/52/37/344655237.db2.gz GECOHRLHYOVFNJ-UHFFFAOYSA-N 0 0 154.238 2.263 10 0 AEAERN Cc1cc([C@H](O)C2CC2)cc(C)n1 231658376 344655962 /nfs/dbraw/zinc/65/59/62/344655962.db2.gz VTDUPQCKPDIBOR-LLVKDONJSA-N 0 0 177.247 2.142 10 0 AEAERN CC[C@H](O)c1cc(C)nc(C)c1 231658492 344656009 /nfs/dbraw/zinc/65/60/09/344656009.db2.gz YSLOASYUFFVZCL-JTQLQIEISA-N 0 0 165.236 2.142 10 0 AEAERN Cc1cc([C@H](O)C(C)C)cc(C)n1 231658823 344656018 /nfs/dbraw/zinc/65/60/18/344656018.db2.gz PHWXQQMFQQZDKL-LLVKDONJSA-N 0 0 179.263 2.388 10 0 AEAERN Cc1cc([C@@H](O)C2CC2)cc(C)n1 231658373 344656079 /nfs/dbraw/zinc/65/60/79/344656079.db2.gz VTDUPQCKPDIBOR-NSHDSACASA-N 0 0 177.247 2.142 10 0 AEAERN Cc1cc([C@@H](O)C(C)C)cc(C)n1 231658820 344656104 /nfs/dbraw/zinc/65/61/04/344656104.db2.gz PHWXQQMFQQZDKL-NSHDSACASA-N 0 0 179.263 2.388 10 0 AEAERN CC[C@@H](O)c1cc(C)nc(C)c1 231658490 344656143 /nfs/dbraw/zinc/65/61/43/344656143.db2.gz YSLOASYUFFVZCL-SNVBAGLBSA-N 0 0 165.236 2.142 10 0 AEAERN Cc1cc(C(=O)C2CC2)cc(C)n1 231655759 344656173 /nfs/dbraw/zinc/65/61/73/344656173.db2.gz LJUXRMRUNZUXAB-UHFFFAOYSA-N 0 0 175.231 2.291 10 0 AEAERN CCC[C@H]1C[C@@H]1Nc1cc(C)ncn1 231662437 344656374 /nfs/dbraw/zinc/65/63/74/344656374.db2.gz OUTXVBKTQKXIJO-UWVGGRQHSA-N 0 0 191.278 2.386 10 0 AEAERN CCC[C@H]1C[C@H]1Nc1cc(C)ncn1 231662445 344656414 /nfs/dbraw/zinc/65/64/14/344656414.db2.gz OUTXVBKTQKXIJO-VHSXEESVSA-N 0 0 191.278 2.386 10 0 AEAERN CCC[C@H]1C[C@@H]1Nc1nc(C)ns1 231663610 344656418 /nfs/dbraw/zinc/65/64/18/344656418.db2.gz JDXVPFOYPRJLPY-YUMQZZPRSA-N 0 0 197.307 2.447 10 0 AEAERN CCC[C@@H]1C[C@@H]1Nc1cc(C)ncn1 231662434 344656534 /nfs/dbraw/zinc/65/65/34/344656534.db2.gz OUTXVBKTQKXIJO-ZJUUUORDSA-N 0 0 191.278 2.386 10 0 AEAERN CCC[C@H]1C[C@H]1Nc1nc(C)ns1 231663617 344656564 /nfs/dbraw/zinc/65/65/64/344656564.db2.gz JDXVPFOYPRJLPY-JGVFFNPUSA-N 0 0 197.307 2.447 10 0 AEAERN CCC[C@@H]1C[C@@H]1Nc1nc(C)ns1 231663605 344656619 /nfs/dbraw/zinc/65/66/19/344656619.db2.gz JDXVPFOYPRJLPY-SFYZADRCSA-N 0 0 197.307 2.447 10 0 AEAERN Cc1cnc(Cn2c(C)ccc2C)o1 231675270 344656863 /nfs/dbraw/zinc/65/68/63/344656863.db2.gz MEWIOVZYJYWSFO-UHFFFAOYSA-N 0 0 190.246 2.450 10 0 AEAERN CCc1cnc(Cn2cccc2)o1 231675253 344656872 /nfs/dbraw/zinc/65/68/72/344656872.db2.gz YEIRWMWBULRZGT-UHFFFAOYSA-N 0 0 176.219 2.087 10 0 AEAERN CCOC(=N)c1cc(C)nc(C)c1 231669417 344656980 /nfs/dbraw/zinc/65/69/80/344656980.db2.gz SVHRNKUMRVODBR-UHFFFAOYSA-N 0 0 178.235 2.060 10 0 AEAERN Cc1cc(-c2ncc[nH]2)cc(C)n1 231669429 344657021 /nfs/dbraw/zinc/65/70/21/344657021.db2.gz SSFRVSXVRAFPKC-UHFFFAOYSA-N 0 0 173.219 2.089 10 0 AEAERN Cn1cc(N)c(SC2CCCC2)n1 231666682 344657095 /nfs/dbraw/zinc/65/70/95/344657095.db2.gz XMBUQFPSMONTED-UHFFFAOYSA-N 0 0 197.307 2.037 10 0 AEAERN COCc1cn2c(n1)C[C@H](C)C[C@@H]2C 231720457 344658096 /nfs/dbraw/zinc/65/80/96/344658096.db2.gz JEUOEYFCLYHJMI-BDAKNGLRSA-N 0 0 194.278 2.173 10 0 AEAERN COCc1csc(C(F)(F)F)n1 231720595 344658100 /nfs/dbraw/zinc/65/81/00/344658100.db2.gz OXXWMSZLQWUXOF-UHFFFAOYSA-N 0 0 197.181 2.308 10 0 AEAERN COCc1csc(C2(C)CC2)n1 231721401 344658105 /nfs/dbraw/zinc/65/81/05/344658105.db2.gz NJHSEUCRZSDTDN-UHFFFAOYSA-N 0 0 183.276 2.341 10 0 AEAERN COCc1csc(-c2ccc[nH]2)n1 231721633 344658107 /nfs/dbraw/zinc/65/81/07/344658107.db2.gz BFIIDKYBKAHPPH-UHFFFAOYSA-N 0 0 194.259 2.285 10 0 AEAERN COCc1csc([C@@H]2C[C@H]2C)n1 231720717 344658109 /nfs/dbraw/zinc/65/81/09/344658109.db2.gz IRPMMDQZSMVSKP-HTRCEHHLSA-N 0 0 183.276 2.413 10 0 AEAERN COCc1csc([C@H]2C[C@@H]2C)n1 231720713 344658132 /nfs/dbraw/zinc/65/81/32/344658132.db2.gz IRPMMDQZSMVSKP-XPUUQOCRSA-N 0 0 183.276 2.413 10 0 AEAERN COCc1cn2c(n1)C[C@@H](C)C[C@H]2C 231720461 344658272 /nfs/dbraw/zinc/65/82/72/344658272.db2.gz JEUOEYFCLYHJMI-DTWKUNHWSA-N 0 0 194.278 2.173 10 0 AEAERN COCc1csc([C@@H]2C[C@@H]2C)n1 231720712 344658286 /nfs/dbraw/zinc/65/82/86/344658286.db2.gz IRPMMDQZSMVSKP-POYBYMJQSA-N 0 0 183.276 2.413 10 0 AEAERN COCc1cn2c(n1)C[C@@H](C)C[C@@H]2C 231720455 344658321 /nfs/dbraw/zinc/65/83/21/344658321.db2.gz JEUOEYFCLYHJMI-IUCAKERBSA-N 0 0 194.278 2.173 10 0 AEAERN C/C(=C\c1ccc(O)cc1)[C@@H](C)O 231748456 344658876 /nfs/dbraw/zinc/65/88/76/344658876.db2.gz ARJPSWBTUQNHKS-FCZSHJHJSA-N 0 0 178.231 2.176 10 0 AEAERN C/C(=C\c1c(C)noc1C)[C@@H](C)O 231746993 344658878 /nfs/dbraw/zinc/65/88/78/344658878.db2.gz BVGDWZIKMVHTPM-HQZHTGGTSA-N 0 0 181.235 2.076 10 0 AEAERN C/C(=C\c1occc1C)[C@@H](C)O 231748601 344658952 /nfs/dbraw/zinc/65/89/52/344658952.db2.gz GEJNZUCKRNPKPO-BNICOGTQSA-N 0 0 166.220 2.372 10 0 AEAERN C/C(=C\c1ccc(O)cc1)[C@H](C)O 231748458 344658956 /nfs/dbraw/zinc/65/89/56/344658956.db2.gz ARJPSWBTUQNHKS-FLOXNTQESA-N 0 0 178.231 2.176 10 0 AEAERN C/C(=C\c1occc1C)[C@H](C)O 231748603 344658998 /nfs/dbraw/zinc/65/89/98/344658998.db2.gz GEJNZUCKRNPKPO-ORZBULNSSA-N 0 0 166.220 2.372 10 0 AEAERN C/C(=C\c1cccc(O)c1)[C@H](C)O 231748260 344659014 /nfs/dbraw/zinc/65/90/14/344659014.db2.gz ANJBQQQXORRHRI-ORZBULNSSA-N 0 0 178.231 2.176 10 0 AEAERN C/C(=C\c1cccc(O)c1)[C@@H](C)O 231748256 344659027 /nfs/dbraw/zinc/65/90/27/344659027.db2.gz ANJBQQQXORRHRI-BNICOGTQSA-N 0 0 178.231 2.176 10 0 AEAERN C/C(=C\c1c(C)noc1C)[C@H](C)O 231746997 344659061 /nfs/dbraw/zinc/65/90/61/344659061.db2.gz BVGDWZIKMVHTPM-GJIOHYHPSA-N 0 0 181.235 2.076 10 0 AEAERN C[C@H]1CCN1c1ncccc1Cl 231771725 344660388 /nfs/dbraw/zinc/66/03/88/344660388.db2.gz IXCDCPKMYDYTKB-ZETCQYMHSA-N 0 0 182.654 2.334 10 0 AEAERN Cc1c(C=O)nc2c(Cl)cccn12 231775036 344660403 /nfs/dbraw/zinc/66/04/03/344660403.db2.gz DWEISTQPJUVISE-UHFFFAOYSA-N 0 0 194.621 2.109 10 0 AEAERN C[C@@H]1CCN1c1ncccc1Cl 231771722 344660557 /nfs/dbraw/zinc/66/05/57/344660557.db2.gz IXCDCPKMYDYTKB-SSDOTTSWSA-N 0 0 182.654 2.334 10 0 AEAERN CCc1nc2c(Cl)cccn2c1N 231773929 344660622 /nfs/dbraw/zinc/66/06/22/344660622.db2.gz KZQNQQUCKKGLNQ-UHFFFAOYSA-N 0 0 195.653 2.132 10 0 AEAERN Cc1nn(C)c(C)c1NC1CC(C)C1 231790102 344660993 /nfs/dbraw/zinc/66/09/93/344660993.db2.gz BSYIADGCYDJDPR-UHFFFAOYSA-N 0 0 193.294 2.247 10 0 AEAERN CC1CC(Nc2cccnc2)C1 231788757 344661073 /nfs/dbraw/zinc/66/10/73/344661073.db2.gz NXVDKCMOWZKGMC-UHFFFAOYSA-N 0 0 162.236 2.292 10 0 AEAERN O=c1ccc2c(F)ccc(Cl)c2[nH]1 231835595 344662438 /nfs/dbraw/zinc/66/24/38/344662438.db2.gz BNHNPNBEWMBQEZ-UHFFFAOYSA-N 0 0 197.596 2.321 10 0 AEAERN O=CNc1cc(F)ccc1Cl 231835739 344662446 /nfs/dbraw/zinc/66/24/46/344662446.db2.gz AQWDDIOJYOBAMD-UHFFFAOYSA-N 0 0 173.574 2.047 10 0 AEAERN Cc1csc(NCc2ccno2)n1 231901315 344664095 /nfs/dbraw/zinc/66/40/95/344664095.db2.gz JAOVQQHAZVJRJP-UHFFFAOYSA-N 0 0 195.247 2.052 10 0 AEAERN O=c1[nH]ccn1C1CCCCCC1 231936404 344665691 /nfs/dbraw/zinc/66/56/91/344665691.db2.gz CSYPQBKTJSMGIH-UHFFFAOYSA-N 0 0 180.251 2.072 10 0 AEAERN CC[C@H]1CCCC[C@@H]1n1cc[nH]c1=O 231937532 344665726 /nfs/dbraw/zinc/66/57/26/344665726.db2.gz QVAFXSJTJJPPFD-UWVGGRQHSA-N 0 0 194.278 2.318 10 0 AEAERN CC[C@@H]1CCCC[C@H]1n1cc[nH]c1=O 231937534 344665879 /nfs/dbraw/zinc/66/58/79/344665879.db2.gz QVAFXSJTJJPPFD-NXEZZACHSA-N 0 0 194.278 2.318 10 0 AEAERN C[C@H]1CC(n2cc[nH]c2=O)C[C@H](C)C1 231938656 344666145 /nfs/dbraw/zinc/66/61/45/344666145.db2.gz GZLVDQDBLGHIFN-RKDXNWHRSA-N 0 0 194.278 2.174 10 0 AEAERN CC1(C)CCC(n2cc[nH]c2=O)CC1 231938662 344666196 /nfs/dbraw/zinc/66/61/96/344666196.db2.gz FXYHQLXUGIGTBI-UHFFFAOYSA-N 0 0 194.278 2.318 10 0 AEAERN C[C@@H]1CC(n2cc[nH]c2=O)C[C@@H](C)C1 231938660 344666242 /nfs/dbraw/zinc/66/62/42/344666242.db2.gz GZLVDQDBLGHIFN-IUCAKERBSA-N 0 0 194.278 2.174 10 0 AEAERN CCC[C@@H](O)c1cnn2ccccc12 231957481 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/nfs/dbraw/zinc/67/37/22/344673722.db2.gz HKYHMZQHVWPLND-UHFFFAOYSA-N 0 0 197.307 2.311 10 0 AEAERN Cc1nnc(N[C@H](C)C2(C)CC2)s1 232286707 344673807 /nfs/dbraw/zinc/67/38/07/344673807.db2.gz AYZFLCMPOXZARI-ZCFIWIBFSA-N 0 0 197.307 2.447 10 0 AEAERN Cc1nnc(N[C@@H](C)C2(C)CC2)s1 232286705 344673845 /nfs/dbraw/zinc/67/38/45/344673845.db2.gz AYZFLCMPOXZARI-LURJTMIESA-N 0 0 197.307 2.447 10 0 AEAERN C[C@@H]1CCCc2c1nc1scnn21 232280913 344673860 /nfs/dbraw/zinc/67/38/60/344673860.db2.gz LTAWWANFECJLIC-ZCFIWIBFSA-N 0 0 193.275 2.231 10 0 AEAERN CCC[C@H](C)Nc1cnns1 232290987 344674151 /nfs/dbraw/zinc/67/41/51/344674151.db2.gz SCQHRIOYXFTNMG-LURJTMIESA-N 0 0 171.269 2.139 10 0 AEAERN C[C@H]1CCC[C@H]1Nc1cnns1 232290508 344674155 /nfs/dbraw/zinc/67/41/55/344674155.db2.gz GCVMYXUBMOMLOO-NKWVEPMBSA-N 0 0 183.280 2.139 10 0 AEAERN C[C@H](Nc1nncs1)C1(C)CC1 232288489 344674160 /nfs/dbraw/zinc/67/41/60/344674160.db2.gz FVDFDOWDJFCJEZ-LURJTMIESA-N 0 0 183.280 2.139 10 0 AEAERN CC(C)C1CC(Nc2cnns2)C1 232290258 344674177 /nfs/dbraw/zinc/67/41/77/344674177.db2.gz JVUCEDMJBIOHHE-UHFFFAOYSA-N 0 0 197.307 2.385 10 0 AEAERN C[C@@H]1CCC[C@@H]1Nc1cnns1 232290503 344674205 /nfs/dbraw/zinc/67/42/05/344674205.db2.gz GCVMYXUBMOMLOO-RQJHMYQMSA-N 0 0 183.280 2.139 10 0 AEAERN C[C@H](Nc1cnns1)c1ccco1 232290115 344674314 /nfs/dbraw/zinc/67/43/14/344674314.db2.gz RBVDNTWIFXEGBS-LURJTMIESA-N 0 0 195.247 2.304 10 0 AEAERN C[C@@H]1CCC[C@H]1Nc1cnns1 232290506 344674340 /nfs/dbraw/zinc/67/43/40/344674340.db2.gz GCVMYXUBMOMLOO-RNFRBKRXSA-N 0 0 183.280 2.139 10 0 AEAERN C[C@@H](Nc1cnns1)c1ccco1 232290114 344674346 /nfs/dbraw/zinc/67/43/46/344674346.db2.gz RBVDNTWIFXEGBS-ZCFIWIBFSA-N 0 0 195.247 2.304 10 0 AEAERN C[C@@H](Nc1nncs1)C1(C)CC1 232288487 344674382 /nfs/dbraw/zinc/67/43/82/344674382.db2.gz FVDFDOWDJFCJEZ-ZCFIWIBFSA-N 0 0 183.280 2.139 10 0 AEAERN C[C@@H](Nc1cnns1)C1(C)CC1 232291397 344674721 /nfs/dbraw/zinc/67/47/21/344674721.db2.gz YCYABFQVVUOBAN-ZCFIWIBFSA-N 0 0 183.280 2.139 10 0 AEAERN CCC(CC)Nc1cnns1 232292471 344674829 /nfs/dbraw/zinc/67/48/29/344674829.db2.gz ZFIBNLJUBRMHKM-UHFFFAOYSA-N 0 0 171.269 2.139 10 0 AEAERN C[C@@H](Nc1cnns1)c1ccoc1 232291939 344674842 /nfs/dbraw/zinc/67/48/42/344674842.db2.gz UBKHQXFNZCNZRF-ZCFIWIBFSA-N 0 0 195.247 2.304 10 0 AEAERN c1nnsc1NCC1CCCC1 232291886 344674857 /nfs/dbraw/zinc/67/48/57/344674857.db2.gz JJRKWSZFLUWTGL-UHFFFAOYSA-N 0 0 183.280 2.140 10 0 AEAERN C[C@H](Nc1cnns1)C1(C)CC1 232291398 344674860 /nfs/dbraw/zinc/67/48/60/344674860.db2.gz YCYABFQVVUOBAN-LURJTMIESA-N 0 0 183.280 2.139 10 0 AEAERN C[C@H](Nc1cnns1)c1ccoc1 232291941 344674879 /nfs/dbraw/zinc/67/48/79/344674879.db2.gz UBKHQXFNZCNZRF-LURJTMIESA-N 0 0 195.247 2.304 10 0 AEAERN Cc1ccc2c(C[NH3+])coc2c1F 232332291 344675232 /nfs/dbraw/zinc/67/52/32/344675232.db2.gz HGGLIWUSIQCCHA-UHFFFAOYSA-N 0 0 179.194 2.339 10 0 AEAERN CC[C@H]1Oc2c(ccc(C)c2F)[C@@H]1[NH3+] 232324359 344675249 /nfs/dbraw/zinc/67/52/49/344675249.db2.gz STKUMXISLGMWMY-SCZZXKLOSA-N 0 0 195.237 2.305 10 0 AEAERN CC[C@H]1Oc2c(ccc(C)c2F)[C@H]1[NH3+] 232324363 344675265 /nfs/dbraw/zinc/67/52/65/344675265.db2.gz STKUMXISLGMWMY-PSASIEDQSA-N 0 0 195.237 2.305 10 0 AEAERN CC[NH2+][C@H]1COc2c1ccc(C)c2F 232324291 344675292 /nfs/dbraw/zinc/67/52/92/344675292.db2.gz LLFQRLFQDZUORN-VIFPVBQESA-N 0 0 195.237 2.177 10 0 AEAERN COc1ccc(OC(C)(C)C)cc1N 232310143 344675331 /nfs/dbraw/zinc/67/53/31/344675331.db2.gz OFBZRMUCKJYIST-UHFFFAOYSA-N 0 0 195.262 2.455 10 0 AEAERN CC[NH2+][C@@H]1COc2c1ccc(C)c2F 232324290 344675417 /nfs/dbraw/zinc/67/54/17/344675417.db2.gz LLFQRLFQDZUORN-SECBINFHSA-N 0 0 195.237 2.177 10 0 AEAERN Cc1ccc2cc(C[NH3+])oc2c1F 232332217 344675432 /nfs/dbraw/zinc/67/54/32/344675432.db2.gz TYUUZTORGGKHCT-UHFFFAOYSA-N 0 0 179.194 2.339 10 0 AEAERN CC[C@@H]1Oc2c(ccc(C)c2F)[C@H]1[NH3+] 232324361 344675453 /nfs/dbraw/zinc/67/54/53/344675453.db2.gz STKUMXISLGMWMY-WCBMZHEXSA-N 0 0 195.237 2.305 10 0 AEAERN CC(=O)COc1cccc(C)c1F 232323215 344675457 /nfs/dbraw/zinc/67/54/57/344675457.db2.gz ATVQVBPZTHEWBB-UHFFFAOYSA-N 0 0 182.194 2.102 10 0 AEAERN CC[C@@H]1Oc2c(ccc(C)c2F)[C@@H]1[NH3+] 232324357 344675522 /nfs/dbraw/zinc/67/55/22/344675522.db2.gz STKUMXISLGMWMY-WPRPVWTQSA-N 0 0 195.237 2.305 10 0 AEAERN CCSCc1nccc(=S)[nH]1 233820255 344704912 /nfs/dbraw/zinc/70/49/12/344704912.db2.gz PVAPRJJMQHBDSU-UHFFFAOYSA-N 0 0 186.305 2.018 10 0 AEAERN Cc1ccc2c(c1F)OCCC[C@@H]2[NH3+] 232324203 344675535 /nfs/dbraw/zinc/67/55/35/344675535.db2.gz WMMLSTIBQXZWJI-VIFPVBQESA-N 0 0 195.237 2.307 10 0 AEAERN CCCOc1ccc2c(c1)CC[C@H]2O 232417880 344676161 /nfs/dbraw/zinc/67/61/61/344676161.db2.gz VCIMXWQKAQIXLH-GFCCVEGCSA-N 0 0 192.258 2.455 10 0 AEAERN Cc1cc(O)cc(OCC(F)F)c1 232397534 344676229 /nfs/dbraw/zinc/67/62/29/344676229.db2.gz DHBJZMAHUBOPBB-UHFFFAOYSA-N 0 0 188.173 2.345 10 0 AEAERN O[C@H]1CCc2cc(OCCF)ccc21 232418727 344676349 /nfs/dbraw/zinc/67/63/49/344676349.db2.gz PPYJRAXAPHIIEF-NSHDSACASA-N 0 0 196.221 2.015 10 0 AEAERN O[C@@H]1CCc2cc(OCCF)ccc21 232418726 344676569 /nfs/dbraw/zinc/67/65/69/344676569.db2.gz PPYJRAXAPHIIEF-LLVKDONJSA-N 0 0 196.221 2.015 10 0 AEAERN CC(=O)C1(CC(F)(F)F)CC1 232451217 344676969 /nfs/dbraw/zinc/67/69/69/344676969.db2.gz JXLZLZLCNDSPQF-UHFFFAOYSA-N 0 0 166.142 2.308 10 0 AEAERN CC(=O)C1(CC(F)F)CC1 232451242 344677180 /nfs/dbraw/zinc/67/71/80/344677180.db2.gz HDHWHVNASVSGRS-UHFFFAOYSA-N 0 0 148.152 2.011 10 0 AEAERN CC(=O)C1(C/C=C/Cl)CC1 232451888 344677427 /nfs/dbraw/zinc/67/74/27/344677427.db2.gz GZXFXDJIJYQIPN-QHHAFSJGSA-N 0 0 158.628 2.498 10 0 AEAERN C/C(=C/c1cc(F)cc(F)c1)CO 232466233 344678098 /nfs/dbraw/zinc/67/80/98/344678098.db2.gz PVMTYSWQKFFZRZ-UQCOIBPSSA-N 0 0 184.185 2.360 10 0 AEAERN c1cc(NC2CC2)c2c[nH]nc2c1 232466249 344678179 /nfs/dbraw/zinc/67/81/79/344678179.db2.gz MEUBOESJZAQJON-UHFFFAOYSA-N 0 0 173.219 2.137 10 0 AEAERN c1cc(NC2CC2)c2n[nH]cc2c1 232466277 344678200 /nfs/dbraw/zinc/67/82/00/344678200.db2.gz CKHBTPKLWJNKAZ-UHFFFAOYSA-N 0 0 173.219 2.137 10 0 AEAERN C/C=C/CNCc1csc(C)n1 232465268 344678262 /nfs/dbraw/zinc/67/82/62/344678262.db2.gz CAIZFZWLNPLTON-ONEGZZNKSA-N 0 0 182.292 2.117 10 0 AEAERN C/C=C/CCNc1cc(C)cnn1 232479117 344680017 /nfs/dbraw/zinc/68/00/17/344680017.db2.gz ULZJGRPXCLCTJR-ONEGZZNKSA-N 0 0 177.251 2.163 10 0 AEAERN CC(C)(C)CC[C@H]1COCC[C@@H]1O 232496498 344680283 /nfs/dbraw/zinc/68/02/83/344680283.db2.gz RIDFKCIHQZZQHA-UWVGGRQHSA-N 0 0 186.295 2.210 10 0 AEAERN CC(C)(C)CC[C@H]1COCC[C@H]1O 232496518 344680296 /nfs/dbraw/zinc/68/02/96/344680296.db2.gz RIDFKCIHQZZQHA-VHSXEESVSA-N 0 0 186.295 2.210 10 0 AEAERN CC(C)(C)Cc1nccc(=S)[nH]1 232491880 344680330 /nfs/dbraw/zinc/68/03/30/344680330.db2.gz WLOFPJGERUJXIL-UHFFFAOYSA-N 0 0 182.292 2.354 10 0 AEAERN CC(C)(C)CC[C@@H]1COCC[C@H]1O 232493145 344680362 /nfs/dbraw/zinc/68/03/62/344680362.db2.gz RIDFKCIHQZZQHA-NXEZZACHSA-N 0 0 186.295 2.210 10 0 AEAERN CC(C)(C)[C@H](O)c1ccc(N)cc1 232510867 344680376 /nfs/dbraw/zinc/68/03/76/344680376.db2.gz GJEUJJHFAUDMIS-SNVBAGLBSA-N 0 0 179.263 2.348 10 0 AEAERN CC(C)(C)c1cc(=S)[nH]cn1 232516249 344680397 /nfs/dbraw/zinc/68/03/97/344680397.db2.gz CVBGHCCJGVZDDG-UHFFFAOYSA-N 0 0 168.265 2.063 10 0 AEAERN CC(C)(C)Nc1ccc(N)c(N)c1 232493764 344680407 /nfs/dbraw/zinc/68/04/07/344680407.db2.gz SWYCSLPLIGYSBM-UHFFFAOYSA-N 0 0 179.267 2.061 10 0 AEAERN CC(C)(C)[C@@H](O)c1cccc(N)c1 232501714 344680421 /nfs/dbraw/zinc/68/04/21/344680421.db2.gz XTPJYOHXXVUVJN-JTQLQIEISA-N 0 0 179.263 2.348 10 0 AEAERN CC(C)(C)[C@H](O)c1cccc(N)c1 232510897 344680424 /nfs/dbraw/zinc/68/04/24/344680424.db2.gz XTPJYOHXXVUVJN-SNVBAGLBSA-N 0 0 179.263 2.348 10 0 AEAERN CC(C)(C)CC[C@@H]1COCC[C@@H]1O 232493125 344680429 /nfs/dbraw/zinc/68/04/29/344680429.db2.gz RIDFKCIHQZZQHA-ZJUUUORDSA-N 0 0 186.295 2.210 10 0 AEAERN CC(C)(C)CNc1cc(N)ns1 232491679 344680552 /nfs/dbraw/zinc/68/05/52/344680552.db2.gz WKFSDHWPPAJPEH-UHFFFAOYSA-N 0 0 185.296 2.183 10 0 AEAERN CC(C)(C)[C@@H](O)c1ccc(N)cc1 232501678 344680595 /nfs/dbraw/zinc/68/05/95/344680595.db2.gz GJEUJJHFAUDMIS-JTQLQIEISA-N 0 0 179.263 2.348 10 0 AEAERN CC(C)(C)c1nccc(=S)[nH]1 232522157 344680766 /nfs/dbraw/zinc/68/07/66/344680766.db2.gz HIKXSOYEFFCXQK-UHFFFAOYSA-N 0 0 168.265 2.063 10 0 AEAERN CC(C)(C1CC1)n1cc[nH]c1=S 232519073 344680824 /nfs/dbraw/zinc/68/08/24/344680824.db2.gz HAWXCMOEVIFJJW-UHFFFAOYSA-N 0 0 182.292 2.317 10 0 AEAERN CC(C)(Nc1cc(N)ns1)C1CC1 232534464 344681379 /nfs/dbraw/zinc/68/13/79/344681379.db2.gz RHJSGZSZYLGFOJ-UHFFFAOYSA-N 0 0 197.307 2.326 10 0 AEAERN CC(C)(Nc1nncs1)C1CC1 232540039 344681399 /nfs/dbraw/zinc/68/13/99/344681399.db2.gz RSVHDMWKQYDWDH-UHFFFAOYSA-N 0 0 183.280 2.139 10 0 AEAERN CC(C)(Nc1ncns1)C1CC1 232539849 344681410 /nfs/dbraw/zinc/68/14/10/344681410.db2.gz DVALKUOGEGCNCY-UHFFFAOYSA-N 0 0 183.280 2.139 10 0 AEAERN CC(C)(Nc1cc(F)ncn1)C1CC1 232534104 344681447 /nfs/dbraw/zinc/68/14/47/344681447.db2.gz JHFCKBBTCDAKKR-UHFFFAOYSA-N 0 0 195.241 2.216 10 0 AEAERN CC(C)(Nc1ccc(N)cn1)C1CC1 232536409 344681464 /nfs/dbraw/zinc/68/14/64/344681464.db2.gz DKLUTXSITWAKIB-UHFFFAOYSA-N 0 0 191.278 2.264 10 0 AEAERN CC(C)(Nc1cnccn1)C1CC1 232537685 344681466 /nfs/dbraw/zinc/68/14/66/344681466.db2.gz OIMCVQNRGXHCBJ-UHFFFAOYSA-N 0 0 177.251 2.077 10 0 AEAERN CC(C)(Nc1ncc(N)s1)C1CC1 232539145 344681476 /nfs/dbraw/zinc/68/14/76/344681476.db2.gz KOUOWKPLTDXJII-UHFFFAOYSA-N 0 0 197.307 2.326 10 0 AEAERN CC(C)(Nc1ccncn1)C1CC1 232537460 344681478 /nfs/dbraw/zinc/68/14/78/344681478.db2.gz YCONWBFCJNNELG-UHFFFAOYSA-N 0 0 177.251 2.077 10 0 AEAERN CC(C)(Nc1ncccc1N)C1CC1 232539521 344681517 /nfs/dbraw/zinc/68/15/17/344681517.db2.gz ASQQBAKZEXWPIT-UHFFFAOYSA-N 0 0 191.278 2.264 10 0 AEAERN CC(C)=CCn1nc(C)c(N)c1C 232556401 344682383 /nfs/dbraw/zinc/68/23/83/344682383.db2.gz OFAKBPXORAFAIT-UHFFFAOYSA-N 0 0 179.267 2.048 10 0 AEAERN CC(C)C1CC(N)(C(F)(F)F)C1 232557152 344682420 /nfs/dbraw/zinc/68/24/20/344682420.db2.gz YMTKTUMZWHVUAD-UHFFFAOYSA-N 0 0 181.201 2.312 10 0 AEAERN CC(C)=C[C@@H]([NH3+])c1cnc(C)s1 232559307 344682620 /nfs/dbraw/zinc/68/26/20/344682620.db2.gz RVUQDDPOCLHIJW-MRVPVSSYSA-N 0 0 182.292 2.418 10 0 AEAERN CC(C)CC1(O)CC(C)C1 232560647 344682651 /nfs/dbraw/zinc/68/26/51/344682651.db2.gz XMMWPLPDEUZVMI-UHFFFAOYSA-N 0 0 142.242 2.194 10 0 AEAERN CC(C)=C[C@@](C)(O)c1cccnc1 232564545 344683298 /nfs/dbraw/zinc/68/32/98/344683298.db2.gz COIGTAIGDRTTML-LLVKDONJSA-N 0 0 177.247 2.255 10 0 AEAERN c1cc2n(n1)[C@@H]1CCCC[C@@H]1CN2 232566258 344683313 /nfs/dbraw/zinc/68/33/13/344683313.db2.gz DVMXCVVVICTVNE-RKDXNWHRSA-N 0 0 177.251 2.040 10 0 AEAERN c1cc2n(n1)[C@H]1CCCC[C@@H]1CN2 232570538 344683610 /nfs/dbraw/zinc/68/36/10/344683610.db2.gz DVMXCVVVICTVNE-BDAKNGLRSA-N 0 0 177.251 2.040 10 0 AEAERN CC(C)C1CC2(CC(=O)NC2(C)C)C1 232571985 344683616 /nfs/dbraw/zinc/68/36/16/344683616.db2.gz HJSUAUNVFHEFBW-UHFFFAOYSA-N 0 0 195.306 2.337 10 0 AEAERN CC(C)C1CC2(CC(=O)CCO2)C1 232570246 344683731 /nfs/dbraw/zinc/68/37/31/344683731.db2.gz XHHQUUYCSFBFDC-UHFFFAOYSA-N 0 0 182.263 2.171 10 0 AEAERN c1cc2n(n1)[C@H]1CCCC[C@H]1CN2 232569245 344683733 /nfs/dbraw/zinc/68/37/33/344683733.db2.gz DVMXCVVVICTVNE-IUCAKERBSA-N 0 0 177.251 2.040 10 0 AEAERN CC(C)=C[C@](C)(O)c1cncc(F)c1 232570781 344683771 /nfs/dbraw/zinc/68/37/71/344683771.db2.gz VASWRCUTPTWEHK-NSHDSACASA-N 0 0 195.237 2.394 10 0 AEAERN CC(C)CCNc1cc(N)ns1 232576386 344683867 /nfs/dbraw/zinc/68/38/67/344683867.db2.gz UIJMKGBXFRARNV-UHFFFAOYSA-N 0 0 185.296 2.183 10 0 AEAERN CC(C)CCNc1ccc(N)c(N)c1 232577523 344683922 /nfs/dbraw/zinc/68/39/22/344683922.db2.gz KGPXKUBCOFFQPL-UHFFFAOYSA-N 0 0 193.294 2.309 10 0 AEAERN CC(C)C1CC2(C1)C[C@H]2CO 232573415 344683955 /nfs/dbraw/zinc/68/39/55/344683955.db2.gz WTVQKHIZIRTWII-KYHHOPLUSA-N 0 0 154.253 2.051 10 0 AEAERN CC(C)(O)C(=O)c1ccccc1Cl 232578623 344683991 /nfs/dbraw/zinc/68/39/91/344683991.db2.gz XUQXYAUFRVTQMP-UHFFFAOYSA-N 0 0 198.649 2.294 10 0 AEAERN CC(C)C1CC2(C1)C[C@@H]2CO 232572996 344684014 /nfs/dbraw/zinc/68/40/14/344684014.db2.gz WTVQKHIZIRTWII-HWOCKDDLSA-N 0 0 154.253 2.051 10 0 AEAERN CC(=O)[C@@H]1CSc2ccccc2O1 232582707 344684327 /nfs/dbraw/zinc/68/43/27/344684327.db2.gz SAHKKYUFQRGDIV-VIFPVBQESA-N 0 0 194.255 2.129 10 0 AEAERN CC(C)C(=O)C1(O)CCCCCC1 232583844 344684356 /nfs/dbraw/zinc/68/43/56/344684356.db2.gz RCFQTJUXHDPLGX-UHFFFAOYSA-N 0 0 184.279 2.297 10 0 AEAERN CC(=O)[C@H]1CSc2ccccc2O1 232619137 344685891 /nfs/dbraw/zinc/68/58/91/344685891.db2.gz SAHKKYUFQRGDIV-SECBINFHSA-N 0 0 194.255 2.129 10 0 AEAERN CC(C)C[C@@H](O)C1(O)CCCCC1 232618071 344685897 /nfs/dbraw/zinc/68/58/97/344685897.db2.gz YDTLJXDFEDFJCK-SNVBAGLBSA-N 0 0 186.295 2.089 10 0 AEAERN Cc1cc(=S)[nH]c(CC(C)C)n1 232620324 344685983 /nfs/dbraw/zinc/68/59/83/344685983.db2.gz YWGIOORWFCJOMX-UHFFFAOYSA-N 0 0 182.292 2.272 10 0 AEAERN CC(C)Cc1[nH]c(=S)ncc1F 232623684 344686014 /nfs/dbraw/zinc/68/60/14/344686014.db2.gz MEZZNJPXRBHFBS-UHFFFAOYSA-N 0 0 186.255 2.103 10 0 AEAERN Cc1cnc(=S)[nH]c1CC(C)C 232623623 344686062 /nfs/dbraw/zinc/68/60/62/344686062.db2.gz GSYKACOVULSYRP-UHFFFAOYSA-N 0 0 182.292 2.272 10 0 AEAERN Cc1cc(N)cnc1CC(C)C 232624639 344686292 /nfs/dbraw/zinc/68/62/92/344686292.db2.gz IMZWKOJYQZDTAM-UHFFFAOYSA-N 0 0 164.252 2.171 10 0 AEAERN Cc1ccnc(CC(C)C)c1N 232624712 344686317 /nfs/dbraw/zinc/68/63/17/344686317.db2.gz ZCMRKBXFINEVRG-UHFFFAOYSA-N 0 0 164.252 2.171 10 0 AEAERN Cc1noc(N[C@@H](C)CC(C)C)n1 232635658 344686563 /nfs/dbraw/zinc/68/65/63/344686563.db2.gz LZFFTSOPKLNIMO-ZETCQYMHSA-N 0 0 183.255 2.225 10 0 AEAERN CC(C)NC(=N)c1ncccc1Cl 232640754 344686565 /nfs/dbraw/zinc/68/65/65/344686565.db2.gz RNWHYWAXEPQJQN-UHFFFAOYSA-N 0 0 197.669 2.058 10 0 AEAERN CC(=O)c1cccnc1N(C)C(C)C 232640654 344686634 /nfs/dbraw/zinc/68/66/34/344686634.db2.gz NBOKBTODXHCRKA-UHFFFAOYSA-N 0 0 192.262 2.129 10 0 AEAERN CC(C)N(C)c1ncc(N)cc1Cl 232640188 344686651 /nfs/dbraw/zinc/68/66/51/344686651.db2.gz HMEIJMFRIXBIPO-UHFFFAOYSA-N 0 0 199.685 2.162 10 0 AEAERN CC(C)=CCNc1ccnc(C)n1 232644189 344686687 /nfs/dbraw/zinc/68/66/87/344686687.db2.gz CUNOVPWGYMCBTO-UHFFFAOYSA-N 0 0 177.251 2.163 10 0 AEAERN Cc1cccc(N(C)C(C)C)c1N 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INYABPSSOUTXCA-UHFFFAOYSA-N 0 0 197.625 2.281 10 0 AEAERN CC[C@H]1C[C@@H]1Nc1cnnc(Cl)c1 234143711 344714043 /nfs/dbraw/zinc/71/40/43/344714043.db2.gz ODPHVGMXTQTPCS-XPUUQOCRSA-N 0 0 197.669 2.340 10 0 AEAERN CC[C@H]1C[C@H]1n1cc(C)[nH]c1=S 234156067 344714046 /nfs/dbraw/zinc/71/40/46/344714046.db2.gz PNKABXPTRZPPRQ-JGVFFNPUSA-N 0 0 182.292 2.451 10 0 AEAERN CCc1c(C(C)C)nc[nH]c1=S 234149041 344714058 /nfs/dbraw/zinc/71/40/58/344714058.db2.gz ALZOKSCUBSSMSA-UHFFFAOYSA-N 0 0 182.292 2.451 10 0 AEAERN CCc1ccc([C@@H](O)C(C)(C)O)cc1 234148062 344714073 /nfs/dbraw/zinc/71/40/73/344714073.db2.gz YTIYJQAODRGJSB-LLVKDONJSA-N 0 0 194.274 2.053 10 0 AEAERN CC[C@H]1C[C@H]1n1c(C)nnc1Cl 234146669 344714089 /nfs/dbraw/zinc/71/40/89/344714089.db2.gz CCLLMPDZFSJDIH-NKWVEPMBSA-N 0 0 185.658 2.211 10 0 AEAERN CCc1cc(=S)[nH]c([C@@H]2C[C@H]2C)n1 234160825 344714197 /nfs/dbraw/zinc/71/41/97/344714197.db2.gz BCXVUGWYSRSNMB-HTRCEHHLSA-N 0 0 194.303 2.451 10 0 AEAERN CCc1cc(=S)[nH]c([C@H]2C[C@@H]2C)n1 234161744 344714237 /nfs/dbraw/zinc/71/42/37/344714237.db2.gz BCXVUGWYSRSNMB-XPUUQOCRSA-N 0 0 194.303 2.451 10 0 AEAERN CCc1cc(=S)[nH]c([C@H]2C[C@H]2C)n1 234161763 344714247 /nfs/dbraw/zinc/71/42/47/344714247.db2.gz BCXVUGWYSRSNMB-SVRRBLITSA-N 0 0 194.303 2.451 10 0 AEAERN CC[C@H]1C[C@@H]1n1cc(C)[nH]c1=S 234170575 344714273 /nfs/dbraw/zinc/71/42/73/344714273.db2.gz PNKABXPTRZPPRQ-YUMQZZPRSA-N 0 0 182.292 2.451 10 0 AEAERN CCc1occc1C(=O)C1CC1 234164481 344714281 /nfs/dbraw/zinc/71/42/81/344714281.db2.gz JAMBYKYVELVPBX-UHFFFAOYSA-N 0 0 164.204 2.435 10 0 AEAERN CCc1cc(=S)[nH]c([C@@H]2C[C@@H]2C)n1 234160795 344714322 /nfs/dbraw/zinc/71/43/22/344714322.db2.gz BCXVUGWYSRSNMB-POYBYMJQSA-N 0 0 194.303 2.451 10 0 AEAERN CC[C@H]1C[C@@H]1n1c(C)c[nH]c1=S 234161600 344714385 /nfs/dbraw/zinc/71/43/85/344714385.db2.gz QIZFOGHCCVVCHG-YUMQZZPRSA-N 0 0 182.292 2.451 10 0 AEAERN CC[C@H]1C[C@@H]1n1cc[nH]c1=S 234170900 344714409 /nfs/dbraw/zinc/71/44/09/344714409.db2.gz QRFKGVIJSDULND-BQBZGAKWSA-N 0 0 168.265 2.143 10 0 AEAERN CC[C@H]1OCC[C@H]1C(=O)c1cc[nH]c1 234168260 344714433 /nfs/dbraw/zinc/71/44/33/344714433.db2.gz AFXALTYTWYILCC-NXEZZACHSA-N 0 0 193.246 2.013 10 0 AEAERN CC[C@H]1C[C@@H]1n1c(C)nnc1Cl 234161782 344714442 /nfs/dbraw/zinc/71/44/42/344714442.db2.gz CCLLMPDZFSJDIH-BQBZGAKWSA-N 0 0 185.658 2.211 10 0 AEAERN CCc1ccc2nc[nH]c(=S)c2c1 234164711 344714505 /nfs/dbraw/zinc/71/45/05/344714505.db2.gz BUHZOWUMXXVMBC-UHFFFAOYSA-N 0 0 190.271 2.481 10 0 AEAERN CCc1nc2c(c(=S)[nH]1)CCCC2 234204885 344714945 /nfs/dbraw/zinc/71/49/45/344714945.db2.gz SADRXCLDQIJKEV-UHFFFAOYSA-N 0 0 194.303 2.207 10 0 AEAERN CCc1nc(C2CC2)cc(=S)[nH]1 234208153 344715112 /nfs/dbraw/zinc/71/51/12/344715112.db2.gz FVLUVQCLTHESRN-UHFFFAOYSA-N 0 0 180.276 2.205 10 0 AEAERN CCc1nc2c(c(=S)[nH]1)CSC2 234205069 344715121 /nfs/dbraw/zinc/71/51/21/344715121.db2.gz NAAUHVPTIYJSKL-UHFFFAOYSA-N 0 0 198.316 2.075 10 0 AEAERN CCc1occc1[C@@H](C)[NH2+]C 234229270 344715533 /nfs/dbraw/zinc/71/55/33/344715533.db2.gz BQPBBANUBCTHRL-SSDOTTSWSA-N 0 0 153.225 2.122 10 0 AEAERN CCc1occc1[C@@H](N)c1ccco1 234254342 344716100 /nfs/dbraw/zinc/71/61/00/344716100.db2.gz LNMJMMSRFFNBAH-LLVKDONJSA-N 0 0 191.230 2.483 10 0 AEAERN CCc1occc1[C@@H](O)c1ccc[nH]1 234272663 344716322 /nfs/dbraw/zinc/71/63/22/344716322.db2.gz FYRHKBXQKACKDB-LLVKDONJSA-N 0 0 191.230 2.252 10 0 AEAERN CN(c1cc(F)cc(C=O)c1)C1CC1 234260686 344716398 /nfs/dbraw/zinc/71/63/98/344716398.db2.gz URTUJZGJSOHJMH-UHFFFAOYSA-N 0 0 193.221 2.237 10 0 AEAERN CC(=O)c1cccc(F)c1N(C)C 234263382 344716525 /nfs/dbraw/zinc/71/65/25/344716525.db2.gz OAMACHTZFWYGAO-UHFFFAOYSA-N 0 0 181.210 2.094 10 0 AEAERN Cc1cc(N(C)C2CC2)c(N)cc1F 234260267 344716527 /nfs/dbraw/zinc/71/65/27/344716527.db2.gz PIRHISPJWALWGP-UHFFFAOYSA-N 0 0 194.253 2.315 10 0 AEAERN Cc1cccc(N(C)C2CC2)c1N 234263806 344716583 /nfs/dbraw/zinc/71/65/83/344716583.db2.gz SVSLNVVCPXJWPG-UHFFFAOYSA-N 0 0 176.263 2.176 10 0 AEAERN CN(C)c1cc(Cl)c(F)cc1N 234264559 344716585 /nfs/dbraw/zinc/71/65/85/344716585.db2.gz USSKHPSRYNHXEN-UHFFFAOYSA-N 0 0 188.633 2.127 10 0 AEAERN CN(c1cccc(F)c1C=O)C1CC1 234263977 344716615 /nfs/dbraw/zinc/71/66/15/344716615.db2.gz VUBISGRNFUPPFN-UHFFFAOYSA-N 0 0 193.221 2.237 10 0 AEAERN CCc1occc1[C@H](O)c1ccc[nH]1 234298906 344716711 /nfs/dbraw/zinc/71/67/11/344716711.db2.gz FYRHKBXQKACKDB-NSHDSACASA-N 0 0 191.230 2.252 10 0 AEAERN CCc1occc1C1N=NC(=S)O1 234305236 344716715 /nfs/dbraw/zinc/71/67/15/344716715.db2.gz AIFLVPKKFOABJH-UHFFFAOYSA-N 0 0 196.231 2.181 10 0 AEAERN CN(c1cc(N)ns1)C1CCCC1 234286153 344716747 /nfs/dbraw/zinc/71/67/47/344716747.db2.gz KJVBKPWFUCFBCO-UHFFFAOYSA-N 0 0 197.307 2.104 10 0 AEAERN CCc1occc1[C@H](N)c1ccco1 234287497 344716755 /nfs/dbraw/zinc/71/67/55/344716755.db2.gz LNMJMMSRFFNBAH-NSHDSACASA-N 0 0 191.230 2.483 10 0 AEAERN CCc1occc1-c1cc(N)no1 234301511 344716787 /nfs/dbraw/zinc/71/67/87/344716787.db2.gz WPJCGYNULYBZHW-UHFFFAOYSA-N 0 0 178.191 2.079 10 0 AEAERN CCc1occc1-c1cc(N)on1 234301533 344716930 /nfs/dbraw/zinc/71/69/30/344716930.db2.gz MXPRRZNQTJBLHH-UHFFFAOYSA-N 0 0 178.191 2.079 10 0 AEAERN CCc1[nH]c([C@H]2CC2(C)C)nc1O 234314933 344717231 /nfs/dbraw/zinc/71/72/31/344717231.db2.gz ZWSYNSPSNKSKKJ-ZCFIWIBFSA-N 0 0 180.251 2.191 10 0 AEAERN CNC1(C(F)F)CC(C(C)C)C1 234349164 344718846 /nfs/dbraw/zinc/71/88/46/344718846.db2.gz JCMWWSJOOAGKTK-UHFFFAOYSA-N 0 0 177.238 2.276 10 0 AEAERN CNc1n[nH]c2c1C(C)(C)C[C@@H]2C 234478117 344721473 /nfs/dbraw/zinc/72/14/73/344721473.db2.gz LYTQUZRSHJVPIL-LURJTMIESA-N 0 0 179.267 2.236 10 0 AEAERN CNc1n[nH]c2c1C(C)(C)C[C@H]2C 234478168 344721559 /nfs/dbraw/zinc/72/15/59/344721559.db2.gz LYTQUZRSHJVPIL-ZCFIWIBFSA-N 0 0 179.267 2.236 10 0 AEAERN CNc1ccc(Cl)nc1C 234488733 344721660 /nfs/dbraw/zinc/72/16/60/344721660.db2.gz INYAVJJOYOTLNG-UHFFFAOYSA-N 0 0 156.616 2.085 10 0 AEAERN CNc1ccnc([C@@H]2CC2(C)C)n1 234496204 344721725 /nfs/dbraw/zinc/72/17/25/344721725.db2.gz AWIFGZPMBWXBSC-ZETCQYMHSA-N 0 0 177.251 2.032 10 0 AEAERN CNc1ccnc([C@H]2CC2(C)C)n1 234496393 344721926 /nfs/dbraw/zinc/72/19/26/344721926.db2.gz AWIFGZPMBWXBSC-SSDOTTSWSA-N 0 0 177.251 2.032 10 0 AEAERN CNc1cccc(-c2cnccn2)c1 234538684 344722721 /nfs/dbraw/zinc/72/27/21/344722721.db2.gz PYHPYAHAVLOUHS-UHFFFAOYSA-N 0 0 185.230 2.185 10 0 AEAERN CNc1nc(SC)c(F)cc1F 234560339 344722918 /nfs/dbraw/zinc/72/29/18/344722918.db2.gz JLSXAIQJEKTOCY-UHFFFAOYSA-N 0 0 190.218 2.123 10 0 AEAERN CNc1nc([C@@H]2CC2(C)C)ns1 234566094 344723337 /nfs/dbraw/zinc/72/33/37/344723337.db2.gz HYANOWNTGUFIPS-YFKPBYRVSA-N 0 0 183.280 2.093 10 0 AEAERN CNc1nc([C@H]2CC2(C)C)ns1 234570419 344723533 /nfs/dbraw/zinc/72/35/33/344723533.db2.gz HYANOWNTGUFIPS-RXMQYKEDSA-N 0 0 183.280 2.093 10 0 AEAERN COC(=O)c1c(C)cc(C)cc1F 234605589 344723915 /nfs/dbraw/zinc/72/39/15/344723915.db2.gz TVTUNUUXXZMCMN-UHFFFAOYSA-N 0 0 182.194 2.229 10 0 AEAERN COC[C@@](C)(O)C1=CCCCCC1 234690096 344725585 /nfs/dbraw/zinc/72/55/85/344725585.db2.gz USCGTBNEQDXNMZ-LLVKDONJSA-N 0 0 184.279 2.274 10 0 AEAERN COCc1cccc2c1CCCN2 234721813 344725589 /nfs/dbraw/zinc/72/55/89/344725589.db2.gz LWEROKXQDQUPLV-UHFFFAOYSA-N 0 0 177.247 2.191 10 0 AEAERN CO[C@@H](C)c1nc(C)c(C)c(=S)[nH]1 234740764 344726145 /nfs/dbraw/zinc/72/61/45/344726145.db2.gz KIHFNFHBHYLVKO-ZETCQYMHSA-N 0 0 198.291 2.090 10 0 AEAERN CO[C@@H]1CCCC[C@@]1(O)C1CCCC1 234745788 344726151 /nfs/dbraw/zinc/72/61/51/344726151.db2.gz CGGIRSUZAPDPGN-VXGBXAGGSA-N 0 0 198.306 2.497 10 0 AEAERN CO[C@@H]1CCCC[C@@H]1C(=O)C(C)C 234761205 344726597 /nfs/dbraw/zinc/72/65/97/344726597.db2.gz CQNQCJOZFCGCPZ-VHSXEESVSA-N 0 0 184.279 2.417 10 0 AEAERN COCc1ccccc1NC1CC1 234748450 344726729 /nfs/dbraw/zinc/72/67/29/344726729.db2.gz CNSPOSOUNWUPMH-UHFFFAOYSA-N 0 0 177.247 2.407 10 0 AEAERN COC1CC(Nc2ccsc2)C1 234774146 344726872 /nfs/dbraw/zinc/72/68/72/344726872.db2.gz BBKOOPHRYXUELT-UHFFFAOYSA-N 0 0 183.276 2.337 10 0 AEAERN CO[C@@H]1CCCC[C@H]1C(=O)C(C)C 234773905 344726899 /nfs/dbraw/zinc/72/68/99/344726899.db2.gz CQNQCJOZFCGCPZ-NXEZZACHSA-N 0 0 184.279 2.417 10 0 AEAERN CO[C@H]1CCC[C@](O)(C(C)(C)C)C1 234771799 344726951 /nfs/dbraw/zinc/72/69/51/344726951.db2.gz MYHHYPWJVIXPJK-GXSJLCMTSA-N 0 0 186.295 2.353 10 0 AEAERN COC[C@](C)(O)C1=CCCCCC1 234770091 344727125 /nfs/dbraw/zinc/72/71/25/344727125.db2.gz USCGTBNEQDXNMZ-NSHDSACASA-N 0 0 184.279 2.274 10 0 AEAERN COC1CC(Nc2nc(C)cs2)C1 234777822 344727165 /nfs/dbraw/zinc/72/71/65/344727165.db2.gz VWEXPSGBIGDSDH-UHFFFAOYSA-N 0 0 198.291 2.041 10 0 AEAERN COC1CC(O)(C2CCC(C)CC2)C1 234789639 344727300 /nfs/dbraw/zinc/72/73/00/344727300.db2.gz XMIXCEFNIWZILH-UHFFFAOYSA-N 0 0 198.306 2.353 10 0 AEAERN CO[C@H](C)c1nc(C)c(C)c(=S)[nH]1 234781253 344727318 /nfs/dbraw/zinc/72/73/18/344727318.db2.gz KIHFNFHBHYLVKO-SSDOTTSWSA-N 0 0 198.291 2.090 10 0 AEAERN CO[C@@H]1CCC[C@](O)(CC2CC2)C1 234779246 344727392 /nfs/dbraw/zinc/72/73/92/344727392.db2.gz HJZPAAINIQDSTE-MNOVXSKESA-N 0 0 184.279 2.107 10 0 AEAERN CO[C@H]1CCC[C@@](O)(C(C)(C)C)C1 234789822 344727444 /nfs/dbraw/zinc/72/74/44/344727444.db2.gz MYHHYPWJVIXPJK-ONGXEEELSA-N 0 0 186.295 2.353 10 0 AEAERN CO[C@@H]1CCC[C@](O)(C2CCCC2)C1 234778973 344727450 /nfs/dbraw/zinc/72/74/50/344727450.db2.gz VRYCOHUPIIOWCT-VXGBXAGGSA-N 0 0 198.306 2.497 10 0 AEAERN CO[C@@H]1CCC[C@](O)(C2CCC2)C1 234778922 344727468 /nfs/dbraw/zinc/72/74/68/344727468.db2.gz KOVMZIWXYDUZQA-GHMZBOCLSA-N 0 0 184.279 2.107 10 0 AEAERN CO[C@@H]1CCC[C@](O)(C(C)(C)C)C1 234802460 344727818 /nfs/dbraw/zinc/72/78/18/344727818.db2.gz MYHHYPWJVIXPJK-MWLCHTKSSA-N 0 0 186.295 2.353 10 0 AEAERN COC1CC(O)([C@H]2CCC[C@@H](C)C2)C1 234798194 344727953 /nfs/dbraw/zinc/72/79/53/344727953.db2.gz PYNIVZQWAHOUAC-QKEWWQLBSA-N 0 0 198.306 2.353 10 0 AEAERN COC1CC(O)([C@@H]2CCC[C@H](C)C2)C1 234797014 344727962 /nfs/dbraw/zinc/72/79/62/344727962.db2.gz PYNIVZQWAHOUAC-DMOGRIERSA-N 0 0 198.306 2.353 10 0 AEAERN COC1CC(O)([C@H]2CCC[C@H](C)C2)C1 234798270 344727994 /nfs/dbraw/zinc/72/79/94/344727994.db2.gz PYNIVZQWAHOUAC-JYBOHDQNSA-N 0 0 198.306 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/nfs/dbraw/zinc/72/84/95/344728495.db2.gz KOVMZIWXYDUZQA-QWRGUYRKSA-N 0 0 184.279 2.107 10 0 AEAERN CO[C@H]1CCCC[C@H]1C(=O)C(C)C 234832264 344729498 /nfs/dbraw/zinc/72/94/98/344729498.db2.gz CQNQCJOZFCGCPZ-ZJUUUORDSA-N 0 0 184.279 2.417 10 0 AEAERN CO[C@H]1CCC[C@](O)(C2CCCC2)C1 234864931 344729630 /nfs/dbraw/zinc/72/96/30/344729630.db2.gz VRYCOHUPIIOWCT-NWDGAFQWSA-N 0 0 198.306 2.497 10 0 AEAERN CO[C@H]1CCCC[C@]1(O)C1CCCC1 234869562 344729640 /nfs/dbraw/zinc/72/96/40/344729640.db2.gz CGGIRSUZAPDPGN-RYUDHWBXSA-N 0 0 198.306 2.497 10 0 AEAERN COc1ccc(NCC=C(C)C)nc1 234854374 344729720 /nfs/dbraw/zinc/72/97/20/344729720.db2.gz TWQMCJCVSOMLLR-UHFFFAOYSA-N 0 0 192.262 2.468 10 0 AEAERN COc1ccc(F)c2c[nH]c(=O)cc12 234863820 344729779 /nfs/dbraw/zinc/72/97/79/344729779.db2.gz MFSIPNZRHAUMNR-UHFFFAOYSA-N 0 0 193.177 2.088 10 0 AEAERN CO[C@H]1CCC[C@](O)(CC2CC2)C1 234865131 344729788 /nfs/dbraw/zinc/72/97/88/344729788.db2.gz HJZPAAINIQDSTE-QWRGUYRKSA-N 0 0 184.279 2.107 10 0 AEAERN COc1ccc(F)c(Cl)c1N 234860318 344729892 /nfs/dbraw/zinc/72/98/92/344729892.db2.gz CRJKNCRKIMFZMV-UHFFFAOYSA-N 0 0 175.590 2.070 10 0 AEAERN CO[C@H]1CCCC[C@]1(O)CC1CC1 234869987 344729914 /nfs/dbraw/zinc/72/99/14/344729914.db2.gz LANFEYWMTZPMAW-QWRGUYRKSA-N 0 0 184.279 2.107 10 0 AEAERN CO[C@H]1CCC[C@](O)(C2CCC2)C1 234864891 344729948 /nfs/dbraw/zinc/72/99/48/344729948.db2.gz KOVMZIWXYDUZQA-WDEREUQCSA-N 0 0 184.279 2.107 10 0 AEAERN COc1cccnc1C(=O)C1(C)CC1 234889612 344730263 /nfs/dbraw/zinc/73/02/63/344730263.db2.gz GJSLZCVUEOGRPM-UHFFFAOYSA-N 0 0 191.230 2.073 10 0 AEAERN COc1ccccc1C1(O)CC(C)C1 234890007 344730339 /nfs/dbraw/zinc/73/03/39/344730339.db2.gz OFROFKVCMQFOFW-UHFFFAOYSA-N 0 0 192.258 2.313 10 0 AEAERN COc1ccc(F)c(NC2CC2)c1 234930801 344730684 /nfs/dbraw/zinc/73/06/84/344730684.db2.gz VDLCRQBEHHYTRM-UHFFFAOYSA-N 0 0 181.210 2.409 10 0 AEAERN COc1cc(F)ccc1NC1CC1 234953904 344730831 /nfs/dbraw/zinc/73/08/31/344730831.db2.gz RQGJJMYRCALCFY-UHFFFAOYSA-N 0 0 181.210 2.409 10 0 AEAERN COc1cc2c[nH]c(=O)cc2cc1F 234930817 344730887 /nfs/dbraw/zinc/73/08/87/344730887.db2.gz XNXZXOMVOLKWAQ-UHFFFAOYSA-N 0 0 193.177 2.088 10 0 AEAERN COc1ccc(NC2(C)CC2)nc1 234966615 344731243 /nfs/dbraw/zinc/73/12/43/344731243.db2.gz ZWRNAMZNSABAOC-UHFFFAOYSA-N 0 0 178.235 2.055 10 0 AEAERN COc1ccc(NC2CC=CC2)nc1 234970466 344731300 /nfs/dbraw/zinc/73/13/00/344731300.db2.gz BMLQLAONIIXGRI-UHFFFAOYSA-N 0 0 190.246 2.221 10 0 AEAERN COc1cc(NC2CC2)ccc1F 234964476 344731306 /nfs/dbraw/zinc/73/13/06/344731306.db2.gz PMJBOGBWRVOHNY-UHFFFAOYSA-N 0 0 181.210 2.409 10 0 AEAERN COc1ccc(O)c(-c2ccc[nH]2)c1 234976950 344731309 /nfs/dbraw/zinc/73/13/09/344731309.db2.gz KIQZUKKTRXKUCY-UHFFFAOYSA-N 0 0 189.214 2.396 10 0 AEAERN COc1ccc(NC[C@@H]2C[C@H]2C)nc1 234989986 344731311 /nfs/dbraw/zinc/73/13/11/344731311.db2.gz OLSIMMGTMFFTKO-BDAKNGLRSA-N 0 0 192.262 2.158 10 0 AEAERN COc1ccc(NC[C@@H]2C[C@@H]2C)nc1 234989556 344731316 /nfs/dbraw/zinc/73/13/16/344731316.db2.gz OLSIMMGTMFFTKO-IUCAKERBSA-N 0 0 192.262 2.158 10 0 AEAERN CO[C@@H]1CCc2ccccc2NC1 234989874 344731343 /nfs/dbraw/zinc/73/13/43/344731343.db2.gz DZLNGSAIUZFPSW-SNVBAGLBSA-N 0 0 177.247 2.060 10 0 AEAERN COc1cccc(C2(O)CC(C)C2)c1 234966789 344731362 /nfs/dbraw/zinc/73/13/62/344731362.db2.gz ZFNGHHHDQZJRAC-UHFFFAOYSA-N 0 0 192.258 2.313 10 0 AEAERN COc1ccc(NC[C@H]2C[C@H]2C)nc1 234996546 344731521 /nfs/dbraw/zinc/73/15/21/344731521.db2.gz OLSIMMGTMFFTKO-RKDXNWHRSA-N 0 0 192.262 2.158 10 0 AEAERN CSCC(=O)c1ccoc1Cl 235027729 344731757 /nfs/dbraw/zinc/73/17/57/344731757.db2.gz GWPKTAORXWIZLP-UHFFFAOYSA-N 0 0 190.651 2.479 10 0 AEAERN CSc1cc(N[C@H]2C[C@H]2C)ncn1 235057361 344731918 /nfs/dbraw/zinc/73/19/18/344731918.db2.gz OSGJNJREFVZQQS-RQJHMYQMSA-N 0 0 195.291 2.019 10 0 AEAERN CSc1cc(N[C@H]2C[C@@H]2C)ncn1 235057205 344732024 /nfs/dbraw/zinc/73/20/24/344732024.db2.gz OSGJNJREFVZQQS-BQBZGAKWSA-N 0 0 195.291 2.019 10 0 AEAERN CSCC(=O)c1ccc(Cl)o1 235027191 344732061 /nfs/dbraw/zinc/73/20/61/344732061.db2.gz IEOXHXQUESAADA-UHFFFAOYSA-N 0 0 190.651 2.479 10 0 AEAERN CSc1snc(N)c1C1CC1 235079893 344732269 /nfs/dbraw/zinc/73/22/69/344732269.db2.gz SJELNKVUFUHYOR-UHFFFAOYSA-N 0 0 186.305 2.325 10 0 AEAERN CSc1cc(C)c(F)cc1N 235082532 344732300 /nfs/dbraw/zinc/73/23/00/344732300.db2.gz FGIORIOXXMLXSN-UHFFFAOYSA-N 0 0 171.240 2.438 10 0 AEAERN CSc1ncc(N)cc1Cl 235073458 344732302 /nfs/dbraw/zinc/73/23/02/344732302.db2.gz NVWXPDQUAXIXBQ-UHFFFAOYSA-N 0 0 174.656 2.039 10 0 AEAERN CSc1snc(N)c1SC 235080147 344732530 /nfs/dbraw/zinc/73/25/30/344732530.db2.gz GXIQEZQZBVVYDY-UHFFFAOYSA-N 0 0 192.334 2.169 10 0 AEAERN C[C@@H](C1CCOCC1)n1cccc1 235103412 344732916 /nfs/dbraw/zinc/73/29/16/344732916.db2.gz PFYMYBPEKRCDBE-JTQLQIEISA-N 0 0 179.263 2.476 10 0 AEAERN CSc1cc(N)c(C(C)=O)s1 235087115 344732997 /nfs/dbraw/zinc/73/29/97/344732997.db2.gz UDDQDKBEHFXZSN-UHFFFAOYSA-N 0 0 187.289 2.255 10 0 AEAERN CSc1cc(NC2CCC2)ncn1 235116760 344733290 /nfs/dbraw/zinc/73/32/90/344733290.db2.gz JAVZKOYZBLBUAS-UHFFFAOYSA-N 0 0 195.291 2.163 10 0 AEAERN CSc1cc(NC2(C)CC2)ncn1 235115280 344733381 /nfs/dbraw/zinc/73/33/81/344733381.db2.gz IIULGHHKQZTVGK-UHFFFAOYSA-N 0 0 195.291 2.163 10 0 AEAERN CC(=O)[C@@H](C)C/C=C/Cl 235122124 344733928 /nfs/dbraw/zinc/73/39/28/344733928.db2.gz QFFYBUVBWMNKEH-QVQDZQDPSA-N 0 0 146.617 2.354 10 0 AEAERN Cc1cnnc(NC[C@H](C)C2CC2)c1 235144041 344734189 /nfs/dbraw/zinc/73/41/89/344734189.db2.gz MULYQVGZIFCQDM-VIFPVBQESA-N 0 0 191.278 2.243 10 0 AEAERN CSc1cc(N[C@@H]2C[C@@H]2C)ncn1 235145278 344734455 /nfs/dbraw/zinc/73/44/55/344734455.db2.gz OSGJNJREFVZQQS-NKWVEPMBSA-N 0 0 195.291 2.019 10 0 AEAERN C[C@@H](N)c1ncc([C@H]2CC2(C)C)o1 235185965 344734937 /nfs/dbraw/zinc/73/49/37/344734937.db2.gz UCSWZOAWRDVDFS-RNFRBKRXSA-N 0 0 180.251 2.208 10 0 AEAERN C[C@@H](N)c1ncc([C@@H]2CC2(C)C)o1 235185893 344735027 /nfs/dbraw/zinc/73/50/27/344735027.db2.gz UCSWZOAWRDVDFS-RQJHMYQMSA-N 0 0 180.251 2.208 10 0 AEAERN Cc1csc([C@@H](C)NN)c1Cl 235205409 344735431 /nfs/dbraw/zinc/73/54/31/344735431.db2.gz YTJGWRXUKUUOIR-RXMQYKEDSA-N 0 0 190.699 2.234 10 0 AEAERN Cc1cc(Cl)ccc1[C@@H](C)NN 235204571 344735432 /nfs/dbraw/zinc/73/54/32/344735432.db2.gz OIZXBFGUYWMSGN-SSDOTTSWSA-N 0 0 184.670 2.173 10 0 AEAERN C[C@@H](NN)C1=CCCCCCC1 235202955 344735678 /nfs/dbraw/zinc/73/56/78/344735678.db2.gz DWAPHVUPNHBZLB-SECBINFHSA-N 0 0 168.284 2.119 10 0 AEAERN C[C@@H](NN)c1ccc(Cl)c(F)c1 235204469 344735685 /nfs/dbraw/zinc/73/56/85/344735685.db2.gz CEWHUPYQZPMKAB-RXMQYKEDSA-N 0 0 188.633 2.003 10 0 AEAERN Cc1ccc([C@@H](C)NN)c(Cl)c1 235204413 344735744 /nfs/dbraw/zinc/73/57/44/344735744.db2.gz FXOMPKJRNMGYSK-SSDOTTSWSA-N 0 0 184.670 2.173 10 0 AEAERN Cc1noc(N[C@H](C)C(C)(C)C)n1 235211032 344736133 /nfs/dbraw/zinc/73/61/33/344736133.db2.gz RGDLMHCHKWKJJF-ZCFIWIBFSA-N 0 0 183.255 2.225 10 0 AEAERN C[C@@H](O)c1ccccc1NC1CC1 235226371 344736606 /nfs/dbraw/zinc/73/66/06/344736606.db2.gz LCRJSODSVYIVQC-MRVPVSSYSA-N 0 0 177.247 2.314 10 0 AEAERN C[C@@H](O)C1(C[C@@H]2CCCCO2)CC1 235251010 344737346 /nfs/dbraw/zinc/73/73/46/344737346.db2.gz RBTTZBAIKSVQLW-ZJUUUORDSA-N 0 0 184.279 2.107 10 0 AEAERN Cc1c(N)nsc1N[C@H](C)C1CC1 235253034 344737356 /nfs/dbraw/zinc/73/73/56/344737356.db2.gz KINXJLRJQSTTMN-ZCFIWIBFSA-N 0 0 197.307 2.244 10 0 AEAERN C[C@@H](O)C1(C[C@H]2CCCCO2)CC1 235251190 344737491 /nfs/dbraw/zinc/73/74/91/344737491.db2.gz RBTTZBAIKSVQLW-NXEZZACHSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@@H](O)C1(CC2CCC2)CC1 235249559 344737512 /nfs/dbraw/zinc/73/75/12/344737512.db2.gz QSIVWIPPCGDOIB-MRVPVSSYSA-N 0 0 154.253 2.338 10 0 AEAERN Cc1nnc([C@@H](C)c2ccccc2)[nH]1 235253094 344737522 /nfs/dbraw/zinc/73/75/22/344737522.db2.gz SCGYOCMXOBRVFJ-QMMMGPOBSA-N 0 0 187.246 2.265 10 0 AEAERN CSc1c(F)cccc1CO 235246729 344737652 /nfs/dbraw/zinc/73/76/52/344737652.db2.gz PUFNKGQKOLJKCQ-UHFFFAOYSA-N 0 0 172.224 2.040 10 0 AEAERN Cc1csc(CC2([C@@H](C)O)CC2)n1 235256181 344737862 /nfs/dbraw/zinc/73/78/62/344737862.db2.gz HXUPZHOIQSDHPE-MRVPVSSYSA-N 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/nfs/dbraw/zinc/73/81/07/344738107.db2.gz MIERVVYQSKZSPS-SNVBAGLBSA-N 0 0 191.274 2.094 10 0 AEAERN Cc1cc(C)c(C(=O)[C@@H](C)O)c(F)c1 235260309 344738564 /nfs/dbraw/zinc/73/85/64/344738564.db2.gz QSUQFSXXDFGMFA-MRVPVSSYSA-N 0 0 196.221 2.006 10 0 AEAERN C[C@@H]1CC(C(=O)C(C)(C)O)C[C@@H](C)C1 235265482 344738907 /nfs/dbraw/zinc/73/89/07/344738907.db2.gz LDJDPFZBNLMFDJ-IUCAKERBSA-N 0 0 198.306 2.399 10 0 AEAERN C[C@@H]1CCC[C@H]1Nc1cc(N)ns1 235267658 344739006 /nfs/dbraw/zinc/73/90/06/344739006.db2.gz PCOGDGKTHHPIIB-RNFRBKRXSA-N 0 0 197.307 2.326 10 0 AEAERN Cc1c(N)nsc1N1CCC[C@H]1C 235263988 344739140 /nfs/dbraw/zinc/73/91/40/344739140.db2.gz RSIMQWHXURTAFV-ZCFIWIBFSA-N 0 0 197.307 2.022 10 0 AEAERN Cc1cc(=S)[nH]c([C@H]2C[C@H]2C)n1 235273491 344739365 /nfs/dbraw/zinc/73/93/65/344739365.db2.gz KABGLCMPQYVMRS-VDTYLAMSSA-N 0 0 180.276 2.197 10 0 AEAERN C[C@@H]1CCCCN1c1cc(N)ns1 235269706 344739547 /nfs/dbraw/zinc/73/95/47/344739547.db2.gz BFGKOSMDQIJZFE-SSDOTTSWSA-N 0 0 197.307 2.104 10 0 AEAERN C[C@@H]1CCC[C@@H](NC#N)CC1 235277862 344739907 /nfs/dbraw/zinc/73/99/07/344739907.db2.gz YHPRNRXUPRGYKT-RKDXNWHRSA-N 0 0 152.241 2.026 10 0 AEAERN C[C@@H]1CC(C)(C)C[C@@H]1CO 235279491 344739929 /nfs/dbraw/zinc/73/99/29/344739929.db2.gz OWBRCFQDFOGTSY-HTQZYQBOSA-N 0 0 142.242 2.051 10 0 AEAERN C[C@@H]1CCC[C@H](C(=O)C(C)(C)O)C1 235277110 344739977 /nfs/dbraw/zinc/73/99/77/344739977.db2.gz XOMREAMCZHYLDD-BDAKNGLRSA-N 0 0 184.279 2.153 10 0 AEAERN C[C@@H]1OCC[C@@]1(O)C1=CCCCCC1 235282265 344740358 /nfs/dbraw/zinc/74/03/58/344740358.db2.gz GAPMIKBZZIUVKO-JQWIXIFHSA-N 0 0 196.290 2.417 10 0 AEAERN C[C@@H]1CNc2c(F)cc(F)cc21 235280310 344740361 /nfs/dbraw/zinc/74/03/61/344740361.db2.gz ZKIVQLOTRODZHT-RXMQYKEDSA-N 0 0 169.174 2.494 10 0 AEAERN C[C@@H]1C[C@]12CNc1ccccc12 235281672 344740404 /nfs/dbraw/zinc/74/04/04/344740404.db2.gz NBHKWYKBTVJVJS-KCJUWKMLSA-N 0 0 159.232 2.390 10 0 AEAERN Cc1cccc(N[C@@H]2C[C@H]2C)c1N 235286058 344740806 /nfs/dbraw/zinc/74/08/06/344740806.db2.gz RMRJMJKTLYEVAZ-PSASIEDQSA-N 0 0 176.263 2.398 10 0 AEAERN C[C@@H]1CCc2oc(=S)[nH]c21 235289139 344740849 /nfs/dbraw/zinc/74/08/49/344740849.db2.gz QYIFGPPOGSRNSX-SCSAIBSYSA-N 0 0 155.222 2.013 10 0 AEAERN Cc1c(N)nsc1NC[C@H]1C[C@H]1C 235287926 344740913 /nfs/dbraw/zinc/74/09/13/344740913.db2.gz LXNCGQGOUVVOMN-IYSWYEEDSA-N 0 0 197.307 2.102 10 0 AEAERN C[C@@H]1C[C@H]1Nc1ncc(N)cc1Cl 235287959 344740938 /nfs/dbraw/zinc/74/09/38/344740938.db2.gz OETQRWBXLHGEHW-SVGQVSJJSA-N 0 0 197.669 2.138 10 0 AEAERN C[C@@H]1CCN1c1cccc(C=O)c1 235294264 344741321 /nfs/dbraw/zinc/74/13/21/344741321.db2.gz IHUBFOQQTJGBMM-SECBINFHSA-N 0 0 175.231 2.098 10 0 AEAERN C[C@@H]1CCN1c1ccc(C=O)cc1 235293949 344741358 /nfs/dbraw/zinc/74/13/58/344741358.db2.gz XMEZEKDUPPHQFO-SECBINFHSA-N 0 0 175.231 2.098 10 0 AEAERN C[C@@H]1CC(C)(C)C[C@H]1CO 235291590 344741563 /nfs/dbraw/zinc/74/15/63/344741563.db2.gz OWBRCFQDFOGTSY-SFYZADRCSA-N 0 0 142.242 2.051 10 0 AEAERN C[C@@H]1C[C@@]12CNc1ccccc12 235297648 344741742 /nfs/dbraw/zinc/74/17/42/344741742.db2.gz NBHKWYKBTVJVJS-LDYMZIIASA-N 0 0 159.232 2.390 10 0 AEAERN Cc1cc(=S)[nH]c([C@@H]2C[C@H]2C)n1 235296407 344741923 /nfs/dbraw/zinc/74/19/23/344741923.db2.gz KABGLCMPQYVMRS-IYSWYEEDSA-N 0 0 180.276 2.197 10 0 AEAERN Cc1cccc(N[C@H]2C[C@H]2C)c1N 235303764 344742250 /nfs/dbraw/zinc/74/22/50/344742250.db2.gz RMRJMJKTLYEVAZ-SCZZXKLOSA-N 0 0 176.263 2.398 10 0 AEAERN C[C@@H]1C[C@@H]1Nc1ncc(N)cc1Cl 235305329 344742389 /nfs/dbraw/zinc/74/23/89/344742389.db2.gz OETQRWBXLHGEHW-XRGYYRRGSA-N 0 0 197.669 2.138 10 0 AEAERN C[C@@H]1CC[C@@H](Nc2cc(N)ns2)C1 235315432 344742870 /nfs/dbraw/zinc/74/28/70/344742870.db2.gz GEZGUNODVSWUQH-RNFRBKRXSA-N 0 0 197.307 2.326 10 0 AEAERN Cc1c(N)nsc1NC[C@@H]1C[C@H]1C 235314018 344742878 /nfs/dbraw/zinc/74/28/78/344742878.db2.gz LXNCGQGOUVVOMN-VDTYLAMSSA-N 0 0 197.307 2.102 10 0 AEAERN C[C@@H]1CCC[C@H]([C@@H]2COCC[C@@H]2O)C1 235322786 344743073 /nfs/dbraw/zinc/74/30/73/344743073.db2.gz NMNLCTDYFFZOOI-RHYQMDGZSA-N 0 0 198.306 2.210 10 0 AEAERN C[C@@H]1CC[C@H](Nc2cc(N)ns2)C1 235322823 344743105 /nfs/dbraw/zinc/74/31/05/344743105.db2.gz GEZGUNODVSWUQH-RQJHMYQMSA-N 0 0 197.307 2.326 10 0 AEAERN Cc1cc2c(cc1F)NC[C@@H](C)N2 235329345 344743874 /nfs/dbraw/zinc/74/38/74/344743874.db2.gz GCPHKPCKSLSOOX-SSDOTTSWSA-N 0 0 180.226 2.360 10 0 AEAERN Cc1cccc2c1NC[C@@H](C)N2 235327748 344743987 /nfs/dbraw/zinc/74/39/87/344743987.db2.gz YMURGKFZQPVOQV-MRVPVSSYSA-N 0 0 162.236 2.221 10 0 AEAERN C[C@@H]1CCC[C@H](CN2CCC(=O)C2)C1 235339868 344744247 /nfs/dbraw/zinc/74/42/47/344744247.db2.gz HEKADHRCCWSPNF-MNOVXSKESA-N 0 0 195.306 2.088 10 0 AEAERN C[C@@H]1CCC[C@@H](C(=O)C(C)(C)O)C1 235337211 344744549 /nfs/dbraw/zinc/74/45/49/344744549.db2.gz XOMREAMCZHYLDD-RKDXNWHRSA-N 0 0 184.279 2.153 10 0 AEAERN Cc1cc(S[C@H](C)[C@@H](C)O)ccn1 235337989 344744545 /nfs/dbraw/zinc/74/45/45/344744545.db2.gz FPMFXXLWNVECRI-RKDXNWHRSA-N 0 0 197.303 2.251 10 0 AEAERN CC(C)=C[C@]1(O)CCS[C@H]1C 235347562 344745083 /nfs/dbraw/zinc/74/50/83/344745083.db2.gz CZBSBWMQQXKOTB-DTWKUNHWSA-N 0 0 172.293 2.209 10 0 AEAERN Cc1cccnc1S[C@H](C)[C@@H](C)O 235345629 344745182 /nfs/dbraw/zinc/74/51/82/344745182.db2.gz KJVOCRSXOCVTEZ-RKDXNWHRSA-N 0 0 197.303 2.251 10 0 AEAERN C[C@H]1C(=O)CC[C@H]1Sc1ncco1 235354481 344745562 /nfs/dbraw/zinc/74/55/62/344745562.db2.gz JABORJXAGPLDOE-POYBYMJQSA-N 0 0 197.259 2.134 10 0 AEAERN C[C@@H]1CCC[C@@H](CN2CCC(=O)C2)C1 235357215 344745709 /nfs/dbraw/zinc/74/57/09/344745709.db2.gz HEKADHRCCWSPNF-GHMZBOCLSA-N 0 0 195.306 2.088 10 0 AEAERN C[C@@H]1CCC[C@@H](Cn2cc[nH]c2=O)C1 235356008 344745795 /nfs/dbraw/zinc/74/57/95/344745795.db2.gz HFCVVPNGRPUTQJ-NXEZZACHSA-N 0 0 194.278 2.003 10 0 AEAERN Cc1cccc(N2CC[C@@H](C)C2)c1N 235366864 344746493 /nfs/dbraw/zinc/74/64/93/344746493.db2.gz PAUWFNXZUGUYHF-SECBINFHSA-N 0 0 190.290 2.423 10 0 AEAERN C[C@@H]1SCC[C@H]1NOC(C)(C)C 235374129 344746823 /nfs/dbraw/zinc/74/68/23/344746823.db2.gz SKDFEIRPEMTNGD-JGVFFNPUSA-N 0 0 189.324 2.200 10 0 AEAERN C[C@@H]1C[C@H](n2cccc2)CCO1 235371858 344746958 /nfs/dbraw/zinc/74/69/58/344746958.db2.gz WHJZDJCTPQJIKC-NXEZZACHSA-N 0 0 165.236 2.228 10 0 AEAERN Cc1ccc(F)c2c1[C@@H](O)[C@H](C)C2 235395708 344747943 /nfs/dbraw/zinc/74/79/43/344747943.db2.gz MNULCWHWCGZORM-HQJQHLMTSA-N 0 0 180.222 2.360 10 0 AEAERN CC(C)=C[C@@]1(O)CCS[C@H]1C 235400360 344748496 /nfs/dbraw/zinc/74/84/96/344748496.db2.gz CZBSBWMQQXKOTB-IUCAKERBSA-N 0 0 172.293 2.209 10 0 AEAERN C[C@@H]1C[C@@H](n2cccc2)CCO1 235401327 344748571 /nfs/dbraw/zinc/74/85/71/344748571.db2.gz WHJZDJCTPQJIKC-ZJUUUORDSA-N 0 0 165.236 2.228 10 0 AEAERN CC(=O)[C@@H]1CS[C@@H](C)[C@@H](C)S1 235415264 344748893 /nfs/dbraw/zinc/74/88/93/344748893.db2.gz ZRJMQOXOLQKPCI-RNJXMRFFSA-N 0 0 190.333 2.201 10 0 AEAERN C[C@](O)(c1cccnc1)C1CCC1 235415973 344748923 /nfs/dbraw/zinc/74/89/23/344748923.db2.gz VUSRBYXMWFZEGO-LLVKDONJSA-N 0 0 177.247 2.089 10 0 AEAERN C[C@H](C1CCOCC1)n1cccc1 235411844 344748938 /nfs/dbraw/zinc/74/89/38/344748938.db2.gz PFYMYBPEKRCDBE-SNVBAGLBSA-N 0 0 179.263 2.476 10 0 AEAERN C[C@](O)(C1=CCCCC1)[C@@H]1CCOC1 235433850 344749248 /nfs/dbraw/zinc/74/92/48/344749248.db2.gz PDWXFNAKTAWACO-NEPJUHHUSA-N 0 0 196.290 2.274 10 0 AEAERN C[C@@]1(c2cccc(F)c2F)C[C@@H]1CO 235424849 344749402 /nfs/dbraw/zinc/74/94/02/344749402.db2.gz DBRZYIHIYVDRRI-RDDDGLTNSA-N 0 0 198.212 2.235 10 0 AEAERN C[C@@]1(c2cccc(F)c2F)C[C@H]1CO 235425826 344749434 /nfs/dbraw/zinc/74/94/34/344749434.db2.gz DBRZYIHIYVDRRI-WRWORJQWSA-N 0 0 198.212 2.235 10 0 AEAERN C[C@](O)(C1=CCCCC1)[C@H]1CCOC1 235438297 344749983 /nfs/dbraw/zinc/74/99/83/344749983.db2.gz PDWXFNAKTAWACO-RYUDHWBXSA-N 0 0 196.290 2.274 10 0 AEAERN Cc1cnnc(NC[C@@H](C)C2CC2)c1 235456922 344750662 /nfs/dbraw/zinc/75/06/62/344750662.db2.gz MULYQVGZIFCQDM-SECBINFHSA-N 0 0 191.278 2.243 10 0 AEAERN C[C@H]1C(=O)CC[C@@H]1Sc1ncco1 235456783 344750703 /nfs/dbraw/zinc/75/07/03/344750703.db2.gz JABORJXAGPLDOE-XPUUQOCRSA-N 0 0 197.259 2.134 10 0 AEAERN CC(=O)[C@H](C)C/C=C/Cl 235473870 344751105 /nfs/dbraw/zinc/75/11/05/344751105.db2.gz QFFYBUVBWMNKEH-MXTDHUQFSA-N 0 0 146.617 2.354 10 0 AEAERN C[C@H](NN)C1=CCCCCCC1 235507913 344752072 /nfs/dbraw/zinc/75/20/72/344752072.db2.gz DWAPHVUPNHBZLB-VIFPVBQESA-N 0 0 168.284 2.119 10 0 AEAERN C[C@H](N)c1ncc([C@@H]2CC2(C)C)o1 235509744 344752103 /nfs/dbraw/zinc/75/21/03/344752103.db2.gz UCSWZOAWRDVDFS-BQBZGAKWSA-N 0 0 180.251 2.208 10 0 AEAERN C[C@H](N)c1ncc([C@H]2CC2(C)C)o1 235509812 344752177 /nfs/dbraw/zinc/75/21/77/344752177.db2.gz UCSWZOAWRDVDFS-NKWVEPMBSA-N 0 0 180.251 2.208 10 0 AEAERN Cc1cc(Cl)ccc1[C@H](C)NN 235509012 344752193 /nfs/dbraw/zinc/75/21/93/344752193.db2.gz OIZXBFGUYWMSGN-ZETCQYMHSA-N 0 0 184.670 2.173 10 0 AEAERN Cc1csc([C@H](C)NN)c1Cl 235509653 344752208 /nfs/dbraw/zinc/75/22/08/344752208.db2.gz YTJGWRXUKUUOIR-YFKPBYRVSA-N 0 0 190.699 2.234 10 0 AEAERN C[C@H](NN)c1ccc(Cl)c(F)c1 235508982 344752291 /nfs/dbraw/zinc/75/22/91/344752291.db2.gz CEWHUPYQZPMKAB-YFKPBYRVSA-N 0 0 188.633 2.003 10 0 AEAERN Cc1c(N)nsc1N[C@@H](C)C1CC1 235527490 344752500 /nfs/dbraw/zinc/75/25/00/344752500.db2.gz KINXJLRJQSTTMN-LURJTMIESA-N 0 0 197.307 2.244 10 0 AEAERN Cc1csc(CC2([C@H](C)O)CC2)n1 235530447 344752555 /nfs/dbraw/zinc/75/25/55/344752555.db2.gz HXUPZHOIQSDHPE-QMMMGPOBSA-N 0 0 197.303 2.155 10 0 AEAERN Cc1cccnc1S[C@@H](C)[C@H](C)O 235530427 344752604 /nfs/dbraw/zinc/75/26/04/344752604.db2.gz KJVOCRSXOCVTEZ-IUCAKERBSA-N 0 0 197.303 2.251 10 0 AEAERN C[C@H](O)C1(CC2CCC2)CC1 235528855 344752671 /nfs/dbraw/zinc/75/26/71/344752671.db2.gz QSIVWIPPCGDOIB-QMMMGPOBSA-N 0 0 154.253 2.338 10 0 AEAERN C[C@H](O)C1(Cc2ccccc2)CC1 235530165 344752673 /nfs/dbraw/zinc/75/26/73/344752673.db2.gz HKXMSSJMTODAJX-JTQLQIEISA-N 0 0 176.259 2.390 10 0 AEAERN Cc1cccc(CC2([C@H](C)O)CC2)n1 235530056 344752684 /nfs/dbraw/zinc/75/26/84/344752684.db2.gz MIERVVYQSKZSPS-JTQLQIEISA-N 0 0 191.274 2.094 10 0 AEAERN C[C@H](O)C1(C[C@@H]2CCCCO2)CC1 235529255 344752688 /nfs/dbraw/zinc/75/26/88/344752688.db2.gz RBTTZBAIKSVQLW-UWVGGRQHSA-N 0 0 184.279 2.107 10 0 AEAERN Cc1nc(CC2([C@H](C)O)CC2)cs1 235530404 344752726 /nfs/dbraw/zinc/75/27/26/344752726.db2.gz SNCWSCKAYGPHPM-ZETCQYMHSA-N 0 0 197.303 2.155 10 0 AEAERN C[C@H](O)C1(C[C@H]2CCCCO2)CC1 235529303 344752735 /nfs/dbraw/zinc/75/27/35/344752735.db2.gz RBTTZBAIKSVQLW-VHSXEESVSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@H](O)[C@@H](C)SC1CCC1 235537696 344753067 /nfs/dbraw/zinc/75/30/67/344753067.db2.gz VJHHJKOGRYKKCE-NKWVEPMBSA-N 0 0 160.282 2.041 10 0 AEAERN C[C@H](Nc1ccc(F)nc1)C(F)F 235535118 344753073 /nfs/dbraw/zinc/75/30/73/344753073.db2.gz XCVPDRIPJQZGRR-YFKPBYRVSA-N 0 0 190.168 2.286 10 0 AEAERN C[C@H](Nc1cc(N)ns1)C1CCC1 235534641 344753172 /nfs/dbraw/zinc/75/31/72/344753172.db2.gz URNZKIJASRLFKT-LURJTMIESA-N 0 0 197.307 2.326 10 0 AEAERN Cc1cc(C)c(C(=O)[C@H](C)O)c(F)c1 235543679 344753434 /nfs/dbraw/zinc/75/34/34/344753434.db2.gz QSUQFSXXDFGMFA-QMMMGPOBSA-N 0 0 196.221 2.006 10 0 AEAERN C[C@H](O)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 235543330 344753697 /nfs/dbraw/zinc/75/36/97/344753697.db2.gz GZCKVYBFMSXGDW-XFWSIPNHSA-N 0 0 184.279 2.009 10 0 AEAERN C[C@H]1CCC[C@@H](NC#N)CC1 235550016 344753902 /nfs/dbraw/zinc/75/39/02/344753902.db2.gz YHPRNRXUPRGYKT-DTWKUNHWSA-N 0 0 152.241 2.026 10 0 AEAERN C[C@H]1C(=O)Nc2c(F)cc(F)cc21 235550370 344754129 /nfs/dbraw/zinc/75/41/29/344754129.db2.gz JIAKRJRPVRVGSO-SCSAIBSYSA-N 0 0 183.157 2.020 10 0 AEAERN C[C@H]1CCC[C@H](C(=O)C(C)(C)O)C1 235552733 344754518 /nfs/dbraw/zinc/75/45/18/344754518.db2.gz XOMREAMCZHYLDD-IUCAKERBSA-N 0 0 184.279 2.153 10 0 AEAERN Cc1nnc([C@H](C)c2ccccc2)[nH]1 235556197 344755051 /nfs/dbraw/zinc/75/50/51/344755051.db2.gz SCGYOCMXOBRVFJ-MRVPVSSYSA-N 0 0 187.246 2.265 10 0 AEAERN C[C@H]1CCN1c1cccc(C=O)c1 235564561 344755247 /nfs/dbraw/zinc/75/52/47/344755247.db2.gz IHUBFOQQTJGBMM-VIFPVBQESA-N 0 0 175.231 2.098 10 0 AEAERN C[C@H]1CC(C(=O)C(C)(C)O)C[C@H](C)C1 235562500 344755287 /nfs/dbraw/zinc/75/52/87/344755287.db2.gz LDJDPFZBNLMFDJ-RKDXNWHRSA-N 0 0 198.306 2.399 10 0 AEAERN C[C@H](O)C(=O)C1C[C@H](C)C[C@@H](C)C1 235563201 344755291 /nfs/dbraw/zinc/75/52/91/344755291.db2.gz NVPQPIZCUAMHHS-HLTSFMKQSA-N 0 0 184.279 2.009 10 0 AEAERN C[C@H]1CC(C(=O)[C@@H](C)O)C[C@H](C)C1 235563057 344755322 /nfs/dbraw/zinc/75/53/22/344755322.db2.gz NVPQPIZCUAMHHS-IWSPIJDZSA-N 0 0 184.279 2.009 10 0 AEAERN C[C@H]1CCN1c1ccc(C=O)cc1 235564168 344755399 /nfs/dbraw/zinc/75/53/99/344755399.db2.gz XMEZEKDUPPHQFO-VIFPVBQESA-N 0 0 175.231 2.098 10 0 AEAERN Cc1cc(S[C@H](C)[C@H](C)O)ccn1 235567899 344755668 /nfs/dbraw/zinc/75/56/68/344755668.db2.gz FPMFXXLWNVECRI-DTWKUNHWSA-N 0 0 197.303 2.251 10 0 AEAERN C[C@H]1CCC[C@@H]1Nc1cc(N)ns1 235566898 344755792 /nfs/dbraw/zinc/75/57/92/344755792.db2.gz PCOGDGKTHHPIIB-BQBZGAKWSA-N 0 0 197.307 2.326 10 0 AEAERN Cc1cccnc1S[C@H](C)[C@H](C)O 235571043 344756285 /nfs/dbraw/zinc/75/62/85/344756285.db2.gz KJVOCRSXOCVTEZ-DTWKUNHWSA-N 0 0 197.303 2.251 10 0 AEAERN C[C@H]1CCCCN1c1cc(N)ns1 235574677 344756336 /nfs/dbraw/zinc/75/63/36/344756336.db2.gz BFGKOSMDQIJZFE-ZETCQYMHSA-N 0 0 197.307 2.104 10 0 AEAERN C[C@H]1CC(C)(C)C[C@H]1CO 235570636 344756427 /nfs/dbraw/zinc/75/64/27/344756427.db2.gz OWBRCFQDFOGTSY-YUMQZZPRSA-N 0 0 142.242 2.051 10 0 AEAERN C[C@H]1CCCc2oc(=S)[nH]c21 235575049 344756506 /nfs/dbraw/zinc/75/65/06/344756506.db2.gz OIOYOLKLOPPEDR-YFKPBYRVSA-N 0 0 169.249 2.403 10 0 AEAERN C[C@H](O)[C@H](C)SC1CCC1 235575901 344756509 /nfs/dbraw/zinc/75/65/09/344756509.db2.gz VJHHJKOGRYKKCE-BQBZGAKWSA-N 0 0 160.282 2.041 10 0 AEAERN C[C@H]1C[C@H]1NC(=O)c1ccoc1Cl 235581099 344756874 /nfs/dbraw/zinc/75/68/74/344756874.db2.gz VIWRZADXDSZZFS-CAHLUQPWSA-N 0 0 199.637 2.071 10 0 AEAERN C[C@H]1CCC[C@H](NC#N)CC1 235576650 344756877 /nfs/dbraw/zinc/75/68/77/344756877.db2.gz YHPRNRXUPRGYKT-IUCAKERBSA-N 0 0 152.241 2.026 10 0 AEAERN Cc1cccc(N[C@H]2C[C@@H]2C)c1N 235580329 344756957 /nfs/dbraw/zinc/75/69/57/344756957.db2.gz RMRJMJKTLYEVAZ-WPRPVWTQSA-N 0 0 176.263 2.398 10 0 AEAERN C[C@H]1C[C@@]12CNc1ccccc12 235581062 344757015 /nfs/dbraw/zinc/75/70/15/344757015.db2.gz NBHKWYKBTVJVJS-GZMMTYOYSA-N 0 0 159.232 2.390 10 0 AEAERN C[C@H]1CNc2c(F)cc(F)cc21 235577912 344757098 /nfs/dbraw/zinc/75/70/98/344757098.db2.gz ZKIVQLOTRODZHT-YFKPBYRVSA-N 0 0 169.174 2.494 10 0 AEAERN C[C@H]1C[C@@H]1Nc1ncc(N)cc1Cl 235581592 344757115 /nfs/dbraw/zinc/75/71/15/344757115.db2.gz OETQRWBXLHGEHW-XNCJUZBTSA-N 0 0 197.669 2.138 10 0 AEAERN C[C@H]1CC(C)(C)C[C@@H]1CO 235582652 344757430 /nfs/dbraw/zinc/75/74/30/344757430.db2.gz OWBRCFQDFOGTSY-JGVFFNPUSA-N 0 0 142.242 2.051 10 0 AEAERN Cc1c(N)nsc1N1CCC[C@@H]1C 235584033 344757547 /nfs/dbraw/zinc/75/75/47/344757547.db2.gz RSIMQWHXURTAFV-LURJTMIESA-N 0 0 197.307 2.022 10 0 AEAERN C[C@H]1CCC[C@H]1Nc1cc(N)ns1 235582342 344757614 /nfs/dbraw/zinc/75/76/14/344757614.db2.gz PCOGDGKTHHPIIB-NKWVEPMBSA-N 0 0 197.307 2.326 10 0 AEAERN C[C@H](O)c1ccccc1NC1CC1 235584781 344757650 /nfs/dbraw/zinc/75/76/50/344757650.db2.gz LCRJSODSVYIVQC-QMMMGPOBSA-N 0 0 177.247 2.314 10 0 AEAERN C[C@H]1C[C@]12CNc1ccccc12 235591607 344757949 /nfs/dbraw/zinc/75/79/49/344757949.db2.gz NBHKWYKBTVJVJS-KWQFWETISA-N 0 0 159.232 2.390 10 0 AEAERN Cc1cc(=S)[nH]c([C@H]2C[C@@H]2C)n1 235596189 344758402 /nfs/dbraw/zinc/75/84/02/344758402.db2.gz KABGLCMPQYVMRS-FSPLSTOPSA-N 0 0 180.276 2.197 10 0 AEAERN C[C@H]1C[C@H]1Nc1ncc(N)cc1Cl 235595772 344758521 /nfs/dbraw/zinc/75/85/21/344758521.db2.gz OETQRWBXLHGEHW-YLWLKBPMSA-N 0 0 197.669 2.138 10 0 AEAERN Cc1cccc(N[C@@H]2C[C@@H]2C)c1N 235594310 344758620 /nfs/dbraw/zinc/75/86/20/344758620.db2.gz RMRJMJKTLYEVAZ-WCBMZHEXSA-N 0 0 176.263 2.398 10 0 AEAERN C[C@H]1CCc2oc(=S)[nH]c21 235601017 344758739 /nfs/dbraw/zinc/75/87/39/344758739.db2.gz QYIFGPPOGSRNSX-BYPYZUCNSA-N 0 0 155.222 2.013 10 0 AEAERN C[C@H]1CCC[C@H](CN2CCC(=O)C2)C1 235607221 344759165 /nfs/dbraw/zinc/75/91/65/344759165.db2.gz HEKADHRCCWSPNF-QWRGUYRKSA-N 0 0 195.306 2.088 10 0 AEAERN C[C@H]1SCC[C@@H]1NOC(C)(C)C 235605883 344759189 /nfs/dbraw/zinc/75/91/89/344759189.db2.gz SKDFEIRPEMTNGD-SFYZADRCSA-N 0 0 189.324 2.200 10 0 AEAERN Cc1cc(=S)[nH]c([C@@H]2C[C@@H]2C)n1 235608346 344759286 /nfs/dbraw/zinc/75/92/86/344759286.db2.gz KABGLCMPQYVMRS-CAHLUQPWSA-N 0 0 180.276 2.197 10 0 AEAERN C[C@H]1CCC[C@@H](C(=O)C(C)(C)O)C1 235609530 344759663 /nfs/dbraw/zinc/75/96/63/344759663.db2.gz XOMREAMCZHYLDD-DTWKUNHWSA-N 0 0 184.279 2.153 10 0 AEAERN Cc1c(N)nsc1NC[C@H]1C[C@@H]1C 235610630 344759819 /nfs/dbraw/zinc/75/98/19/344759819.db2.gz LXNCGQGOUVVOMN-CAHLUQPWSA-N 0 0 197.307 2.102 10 0 AEAERN C[C@H]1CC[C@@H](Nc2cc(N)ns2)C1 235624995 344760008 /nfs/dbraw/zinc/76/00/08/344760008.db2.gz GEZGUNODVSWUQH-NKWVEPMBSA-N 0 0 197.307 2.326 10 0 AEAERN Cc1c(N)nsc1NC[C@@H]1C[C@@H]1C 235623916 344760210 /nfs/dbraw/zinc/76/02/10/344760210.db2.gz LXNCGQGOUVVOMN-FSPLSTOPSA-N 0 0 197.307 2.102 10 0 AEAERN CC(C)=C[C@]1(O)CCS[C@@H]1C 235632853 344760791 /nfs/dbraw/zinc/76/07/91/344760791.db2.gz CZBSBWMQQXKOTB-RKDXNWHRSA-N 0 0 172.293 2.209 10 0 AEAERN C[C@H]1CCc2[nH]c(=S)oc2C1 235640695 344760931 /nfs/dbraw/zinc/76/09/31/344760931.db2.gz ROUHQMPGMMGKIK-YFKPBYRVSA-N 0 0 169.249 2.088 10 0 AEAERN C[C@H]1CC[C@H](Nc2cc(N)ns2)C1 235642538 344761298 /nfs/dbraw/zinc/76/12/98/344761298.db2.gz GEZGUNODVSWUQH-BQBZGAKWSA-N 0 0 197.307 2.326 10 0 AEAERN C[C@H]1SCC[C@H]1NOC(C)(C)C 235652423 344761772 /nfs/dbraw/zinc/76/17/72/344761772.db2.gz SKDFEIRPEMTNGD-HTQZYQBOSA-N 0 0 189.324 2.200 10 0 AEAERN C[C@H]1CCC[C@@H](Cn2cc[nH]c2=O)C1 235646223 344761816 /nfs/dbraw/zinc/76/18/16/344761816.db2.gz HFCVVPNGRPUTQJ-VHSXEESVSA-N 0 0 194.278 2.003 10 0 AEAERN C[C@H]1C[C@H](n2cccc2)CCO1 235667463 344762277 /nfs/dbraw/zinc/76/22/77/344762277.db2.gz WHJZDJCTPQJIKC-VHSXEESVSA-N 0 0 165.236 2.228 10 0 AEAERN C[C@H]1OCC[C@@]1(O)C1=CCCCCC1 235668141 344762302 /nfs/dbraw/zinc/76/23/02/344762302.db2.gz GAPMIKBZZIUVKO-PWSUYJOCSA-N 0 0 196.290 2.417 10 0 AEAERN CC(C)=C[C@@]1(O)CCS[C@@H]1C 235674639 344762706 /nfs/dbraw/zinc/76/27/06/344762706.db2.gz CZBSBWMQQXKOTB-BDAKNGLRSA-N 0 0 172.293 2.209 10 0 AEAERN C[C@H]1CCC[C@@H](CN2CCC(=O)C2)C1 235678085 344762779 /nfs/dbraw/zinc/76/27/79/344762779.db2.gz HEKADHRCCWSPNF-WDEREUQCSA-N 0 0 195.306 2.088 10 0 AEAERN C[C@@H]1C(=O)CC[C@@H]1Sc1ncco1 235676716 344762822 /nfs/dbraw/zinc/76/28/22/344762822.db2.gz JABORJXAGPLDOE-SVRRBLITSA-N 0 0 197.259 2.134 10 0 AEAERN CC(=O)[C@@H]1CS[C@H](C)[C@@H](C)S1 235685043 344763283 /nfs/dbraw/zinc/76/32/83/344763283.db2.gz ZRJMQOXOLQKPCI-PRJMDXOYSA-N 0 0 190.333 2.201 10 0 AEAERN Cc1cc2c(cc1F)NC[C@H](C)N2 235700926 344763524 /nfs/dbraw/zinc/76/35/24/344763524.db2.gz GCPHKPCKSLSOOX-ZETCQYMHSA-N 0 0 180.226 2.360 10 0 AEAERN Cc1cccc(N2CC[C@H](C)C2)c1N 235693419 344763529 /nfs/dbraw/zinc/76/35/29/344763529.db2.gz PAUWFNXZUGUYHF-VIFPVBQESA-N 0 0 190.290 2.423 10 0 AEAERN Cc1ccc(F)c2c1[C@H](O)[C@@H](C)C2 235693852 344763566 /nfs/dbraw/zinc/76/35/66/344763566.db2.gz MNULCWHWCGZORM-WRWORJQWSA-N 0 0 180.222 2.360 10 0 AEAERN Cc1cccc2c1NC[C@H](C)N2 235699682 344763645 /nfs/dbraw/zinc/76/36/45/344763645.db2.gz YMURGKFZQPVOQV-QMMMGPOBSA-N 0 0 162.236 2.221 10 0 AEAERN Cc1ccc(F)c2c1[C@@H](O)[C@@H](C)C2 235693935 344763791 /nfs/dbraw/zinc/76/37/91/344763791.db2.gz MNULCWHWCGZORM-CPCISQLKSA-N 0 0 180.222 2.360 10 0 AEAERN C[C@@](O)(C1=CCCCC1)[C@@H]1CCOC1 235708850 344763896 /nfs/dbraw/zinc/76/38/96/344763896.db2.gz PDWXFNAKTAWACO-VXGBXAGGSA-N 0 0 196.290 2.274 10 0 AEAERN C[C@@H]1C(=O)CC[C@H]1Sc1ncco1 235709583 344763961 /nfs/dbraw/zinc/76/39/61/344763961.db2.gz JABORJXAGPLDOE-HTRCEHHLSA-N 0 0 197.259 2.134 10 0 AEAERN C[C@H]1C[C@@H](n2cccc2)CCO1 235709388 344763974 /nfs/dbraw/zinc/76/39/74/344763974.db2.gz WHJZDJCTPQJIKC-UWVGGRQHSA-N 0 0 165.236 2.228 10 0 AEAERN C[C@H]1OCC[C@]1(O)C1=CCCCCC1 235701906 344764135 /nfs/dbraw/zinc/76/41/35/344764135.db2.gz GAPMIKBZZIUVKO-ZYHUDNBSSA-N 0 0 196.290 2.417 10 0 AEAERN C[C@@](O)(c1cccnc1)C1CCC1 235713503 344764415 /nfs/dbraw/zinc/76/44/15/344764415.db2.gz VUSRBYXMWFZEGO-NSHDSACASA-N 0 0 177.247 2.089 10 0 AEAERN C[C@@](O)(C1=CCCCC1)[C@H]1CCOC1 235713678 344764559 /nfs/dbraw/zinc/76/45/59/344764559.db2.gz PDWXFNAKTAWACO-NWDGAFQWSA-N 0 0 196.290 2.274 10 0 AEAERN C[C@]1(c2cccc(F)c2F)C[C@@H]1CO 235720133 344764573 /nfs/dbraw/zinc/76/45/73/344764573.db2.gz DBRZYIHIYVDRRI-HQJQHLMTSA-N 0 0 198.212 2.235 10 0 AEAERN Cc1c(-c2ccc[nH]2)nc[nH]c1=S 235731176 344764651 /nfs/dbraw/zinc/76/46/51/344764651.db2.gz GHXBLFZIOAJEKF-UHFFFAOYSA-N 0 0 191.259 2.069 10 0 AEAERN Cc1cc(C(=O)C(C)(C)O)cs1 235737846 344764864 /nfs/dbraw/zinc/76/48/64/344764864.db2.gz OWXXJLVFPKPWSZ-UHFFFAOYSA-N 0 0 184.260 2.010 10 0 AEAERN Cc1c(-c2ccoc2)nc[nH]c1=S 235731872 344764920 /nfs/dbraw/zinc/76/49/20/344764920.db2.gz FOZXIHJVQGRGLP-UHFFFAOYSA-N 0 0 192.243 2.334 10 0 AEAERN Cc1cc(C(=O)C(F)F)c(C)o1 235738696 344764923 /nfs/dbraw/zinc/76/49/23/344764923.db2.gz DITGNYGQAZRIRC-UHFFFAOYSA-N 0 0 174.146 2.344 10 0 AEAERN Cc1c(-c2ccco2)nc[nH]c1=S 235731777 344764938 /nfs/dbraw/zinc/76/49/38/344764938.db2.gz STRNSTBDPHABDQ-UHFFFAOYSA-N 0 0 192.243 2.334 10 0 AEAERN Cc1c(N)noc1[C@H]1CC1(C)C 235741657 344765097 /nfs/dbraw/zinc/76/50/97/344765097.db2.gz QTMGRSWUXAZDGB-ZCFIWIBFSA-N 0 0 166.224 2.079 10 0 AEAERN Cc1cc(O)ccc1NC1CC1 235745557 344765104 /nfs/dbraw/zinc/76/51/04/344765104.db2.gz PADXEYGUVIMDSE-UHFFFAOYSA-N 0 0 163.220 2.275 10 0 AEAERN Cc1c(N)nsc1NCC(C)(C)C 235749561 344765114 /nfs/dbraw/zinc/76/51/14/344765114.db2.gz LKTODWYEFFOBIH-UHFFFAOYSA-N 0 0 199.323 2.492 10 0 AEAERN Cc1c(N)noc1-c1ccc(Cl)o1 235742589 344765122 /nfs/dbraw/zinc/76/51/22/344765122.db2.gz KXWBHVNWFXUHRP-UHFFFAOYSA-N 0 0 198.609 2.479 10 0 AEAERN Cc1c(F)ccc2c(=S)[nH]cnc12 235739894 344765145 /nfs/dbraw/zinc/76/51/45/344765145.db2.gz PTQZVZVWOQAILI-UHFFFAOYSA-N 0 0 194.234 2.366 10 0 AEAERN Cc1c(N)nsc1NC1CCCC1 235749040 344765188 /nfs/dbraw/zinc/76/51/88/344765188.db2.gz YIHIWCXQHMDKAS-UHFFFAOYSA-N 0 0 197.307 2.388 10 0 AEAERN Cc1c(N)noc1[C@@H]1CC1(C)C 235741599 344765201 /nfs/dbraw/zinc/76/52/01/344765201.db2.gz QTMGRSWUXAZDGB-LURJTMIESA-N 0 0 166.224 2.079 10 0 AEAERN Cc1c(N)noc1-c1ccoc1Cl 235743105 344765230 /nfs/dbraw/zinc/76/52/30/344765230.db2.gz ZYJGARDVUMMMGR-UHFFFAOYSA-N 0 0 198.609 2.479 10 0 AEAERN Cc1cc([C@@H](N)C(F)F)cs1 235745841 344765248 /nfs/dbraw/zinc/76/52/48/344765248.db2.gz FVIUAEOVZYCWGC-ZCFIWIBFSA-N 0 0 177.219 2.321 10 0 AEAERN Cc1[nH]c(C(=O)C(F)F)c(C)c1C 235746403 344765257 /nfs/dbraw/zinc/76/52/57/344765257.db2.gz UFFMLWAYKFROAP-UHFFFAOYSA-N 0 0 187.189 2.388 10 0 AEAERN Cc1cc([C@@H](O)C(C)(C)C)ccn1 235748874 344765259 /nfs/dbraw/zinc/76/52/59/344765259.db2.gz WCZFKWUHDZKVKU-SNVBAGLBSA-N 0 0 179.263 2.470 10 0 AEAERN Cc1c(N)nsc1NCC1CCC1 235750096 344765331 /nfs/dbraw/zinc/76/53/31/344765331.db2.gz YKJQPXPDUONQKY-UHFFFAOYSA-N 0 0 197.307 2.246 10 0 AEAERN Cc1ccc(CC(N)=S)c(Cl)c1 235748445 344765358 /nfs/dbraw/zinc/76/53/58/344765358.db2.gz FCCAULPKHBMCHN-UHFFFAOYSA-N 0 0 199.706 2.477 10 0 AEAERN Cc1c(N)nsc1NCC1(C)CC1 235749866 344765360 /nfs/dbraw/zinc/76/53/60/344765360.db2.gz WCDQJMHOBXSMCM-UHFFFAOYSA-N 0 0 197.307 2.246 10 0 AEAERN Cc1ccc(F)c(Cl)c1N 235757596 344765523 /nfs/dbraw/zinc/76/55/23/344765523.db2.gz UKXRMLUPYHFXEK-UHFFFAOYSA-N 0 0 159.591 2.370 10 0 AEAERN Cc1c(N)nsc1N[C@@H]1CC1(C)C 235757587 344765526 /nfs/dbraw/zinc/76/55/26/344765526.db2.gz DMVRXDSOQNTZCH-ZCFIWIBFSA-N 0 0 197.307 2.244 10 0 AEAERN Cc1cc([C@H](N)C(F)F)cs1 235755355 344765592 /nfs/dbraw/zinc/76/55/92/344765592.db2.gz FVIUAEOVZYCWGC-LURJTMIESA-N 0 0 177.219 2.321 10 0 AEAERN Cc1ccncc1-c1ccoc1C=O 235776819 344766026 /nfs/dbraw/zinc/76/60/26/344766026.db2.gz VCJKBRFMCJFWBU-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN Cc1c[nH]c(=S)n1CC1(C)CC1 235785326 344766356 /nfs/dbraw/zinc/76/63/56/344766356.db2.gz NPQJYWSNMHUVMG-UHFFFAOYSA-N 0 0 182.292 2.280 10 0 AEAERN Cc1ccc(C(=O)C(C)(C)O)s1 235782656 344766393 /nfs/dbraw/zinc/76/63/93/344766393.db2.gz YQZGWBDYTYJZCS-UHFFFAOYSA-N 0 0 184.260 2.010 10 0 AEAERN Cc1ccsc1C(=O)C(C)(C)O 235785398 344766411 /nfs/dbraw/zinc/76/64/11/344766411.db2.gz SSZGPDXRIPZHFD-UHFFFAOYSA-N 0 0 184.260 2.010 10 0 AEAERN Cc1cscc1-c1nc(O)c(C)[nH]1 235794917 344766633 /nfs/dbraw/zinc/76/66/33/344766633.db2.gz BEPSEKRCNCPUNA-UHFFFAOYSA-N 0 0 194.259 2.461 10 0 AEAERN Cc1c[nH]c(=S)nc1-c1ccco1 235789152 344766642 /nfs/dbraw/zinc/76/66/42/344766642.db2.gz JUYCCGDLPOTLME-UHFFFAOYSA-N 0 0 192.243 2.334 10 0 AEAERN Cc1cnccc1-c1ccoc1C=O 235792048 344766645 /nfs/dbraw/zinc/76/66/45/344766645.db2.gz YDRQNDWJQDPJRE-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN Cc1cc(N)cnc1-c1ccoc1 235787783 344766680 /nfs/dbraw/zinc/76/66/80/344766680.db2.gz IQSVXSFYNQYIMB-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1nccc2c(Cl)c(N)cnc12 235790071 344766720 /nfs/dbraw/zinc/76/67/20/344766720.db2.gz AFEZVJRQLDLUAU-UHFFFAOYSA-N 0 0 193.637 2.174 10 0 AEAERN Cc1c[nH]c(=S)nc1-c1ccoc1 235789334 344766721 /nfs/dbraw/zinc/76/67/21/344766721.db2.gz WAYNTEICLHAGOV-UHFFFAOYSA-N 0 0 192.243 2.334 10 0 AEAERN Cc1ccc(F)cc1[C@@H]1C[C@@H]1CO 235790349 344766766 /nfs/dbraw/zinc/76/67/66/344766766.db2.gz PQLMZZGWUMWWLZ-LDYMZIIASA-N 0 0 180.222 2.230 10 0 AEAERN Cc1cnccc1-c1ccc(C=O)o1 235791528 344766786 /nfs/dbraw/zinc/76/67/86/344766786.db2.gz PLANPAIWJQMPAZ-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN Cc1nnc(Cl)n1C(C)(C)C1CC1 235804080 344766950 /nfs/dbraw/zinc/76/69/50/344766950.db2.gz UTAJYZWUCTWKJG-UHFFFAOYSA-N 0 0 199.685 2.385 10 0 AEAERN Cc1ccc([C@@H](O)C(C)(C)O)cc1C 235804352 344766971 /nfs/dbraw/zinc/76/69/71/344766971.db2.gz CXJTXOCWNLZEJF-LLVKDONJSA-N 0 0 194.274 2.108 10 0 AEAERN Cc1nnc(Cl)n1C[C@@H]1CC1(C)C 235804639 344766993 /nfs/dbraw/zinc/76/69/93/344766993.db2.gz HKZRKUGJKQUECP-ZETCQYMHSA-N 0 0 199.685 2.286 10 0 AEAERN Cc1nnc(Cl)n1CC1(C)CC1 235804293 344767013 /nfs/dbraw/zinc/76/70/13/344767013.db2.gz JHTUWAZNAURABR-UHFFFAOYSA-N 0 0 185.658 2.040 10 0 AEAERN Cc1ccnc2c(Cl)c(N)cnc12 235797181 344767022 /nfs/dbraw/zinc/76/70/22/344767022.db2.gz OYWBUHBRVVRAMQ-UHFFFAOYSA-N 0 0 193.637 2.174 10 0 AEAERN Cc1nnc(Cl)n1CC1(C)CCC1 235804317 344767090 /nfs/dbraw/zinc/76/70/90/344767090.db2.gz UTTGGWXPHJYUIP-UHFFFAOYSA-N 0 0 199.685 2.430 10 0 AEAERN Cc1nnc(Cl)n1C[C@H]1CC1(C)C 235804714 344767228 /nfs/dbraw/zinc/76/72/28/344767228.db2.gz HKZRKUGJKQUECP-SSDOTTSWSA-N 0 0 199.685 2.286 10 0 AEAERN Cc1cc(F)cc([C@@H](N)C(F)F)c1 235806153 344767278 /nfs/dbraw/zinc/76/72/78/344767278.db2.gz XEEYTQURJRXNEC-MRVPVSSYSA-N 0 0 189.180 2.399 10 0 AEAERN Cc1sccc1C(=O)C(C)(C)O 235807630 344767300 /nfs/dbraw/zinc/76/73/00/344767300.db2.gz MUZDSEVQUILHDK-UHFFFAOYSA-N 0 0 184.260 2.010 10 0 AEAERN C=CC(=O)Nc1cc(C)cnc1Cl 235810319 344767345 /nfs/dbraw/zinc/76/73/45/344767345.db2.gz ZAENVZPUSNCMBK-UHFFFAOYSA-N 0 0 196.637 2.168 10 0 AEAERN Cc1cc(F)cc2c(=S)[nH]cnc12 235809600 344767381 /nfs/dbraw/zinc/76/73/81/344767381.db2.gz NORUUZOQFNWBPF-UHFFFAOYSA-N 0 0 194.234 2.366 10 0 AEAERN Cc1cnnc(NCC(C)(C)C)c1 235808232 344767423 /nfs/dbraw/zinc/76/74/23/344767423.db2.gz HAOIHIBHXCGIBR-UHFFFAOYSA-N 0 0 179.267 2.243 10 0 AEAERN Cc1cccc([C@@H](O)C(C)(C)O)c1C 235805818 344767428 /nfs/dbraw/zinc/76/74/28/344767428.db2.gz PMVGMUILCOWMRZ-LLVKDONJSA-N 0 0 194.274 2.108 10 0 AEAERN Cc1cccc([C@H](O)C(C)(C)O)c1C 235810167 344767498 /nfs/dbraw/zinc/76/74/98/344767498.db2.gz PMVGMUILCOWMRZ-NSHDSACASA-N 0 0 194.274 2.108 10 0 AEAERN Cc1cc(F)cc([C@H](N)C(F)F)c1 235806676 344767503 /nfs/dbraw/zinc/76/75/03/344767503.db2.gz XEEYTQURJRXNEC-QMMMGPOBSA-N 0 0 189.180 2.399 10 0 AEAERN Cc1cccc(C)c1C1(O)CC1 235809137 344767539 /nfs/dbraw/zinc/76/75/39/344767539.db2.gz DIAWLCFYKXPJDY-UHFFFAOYSA-N 0 0 162.232 2.285 10 0 AEAERN Cc1ccc(F)cc1[C@H]1C[C@H]1CO 235810662 344767651 /nfs/dbraw/zinc/76/76/51/344767651.db2.gz PQLMZZGWUMWWLZ-KWQFWETISA-N 0 0 180.222 2.230 10 0 AEAERN CC1N=NC(=S)N1CC1(C)CCC1 235811911 344767656 /nfs/dbraw/zinc/76/76/56/344767656.db2.gz SVZIOBOIBXGSLS-UHFFFAOYSA-N 0 0 197.307 2.065 10 0 AEAERN Cc1nccnc1NCC1(C)CCC1 235816890 344767672 /nfs/dbraw/zinc/76/76/72/344767672.db2.gz IPZHIJRHEWMSDV-UHFFFAOYSA-N 0 0 191.278 2.387 10 0 AEAERN CC1N=NC(=S)N1C(C)(C)C1CC1 235811628 344767676 /nfs/dbraw/zinc/76/76/76/344767676.db2.gz NLBABIWFCFGHPV-UHFFFAOYSA-N 0 0 197.307 2.020 10 0 AEAERN Cc1sccc1[C@H](N)C(F)F 235818058 344767720 /nfs/dbraw/zinc/76/77/20/344767720.db2.gz MJYOOGPRSFKXEA-LURJTMIESA-N 0 0 177.219 2.321 10 0 AEAERN Cc1sccc1[C@@H](N)C(F)F 235811449 344767819 /nfs/dbraw/zinc/76/78/19/344767819.db2.gz MJYOOGPRSFKXEA-ZCFIWIBFSA-N 0 0 177.219 2.321 10 0 AEAERN Cc1ccc(F)cc1[C@H]1C[C@@H]1CO 235810508 344767856 /nfs/dbraw/zinc/76/78/56/344767856.db2.gz PQLMZZGWUMWWLZ-KCJUWKMLSA-N 0 0 180.222 2.230 10 0 AEAERN Cc1c(C2CC2)n[nH]c(=S)c1C 235822599 344768084 /nfs/dbraw/zinc/76/80/84/344768084.db2.gz RIZQFAILAKSGAX-UHFFFAOYSA-N 0 0 180.276 2.260 10 0 AEAERN Cc1cc(=S)[nH]c(C2(C)CC2)n1 235828866 344768101 /nfs/dbraw/zinc/76/81/01/344768101.db2.gz PALAVWOKMSFOPA-UHFFFAOYSA-N 0 0 180.276 2.125 10 0 AEAERN Cc1cc(=S)[nH]c(CC2CC2)n1 235829208 344768117 /nfs/dbraw/zinc/76/81/17/344768117.db2.gz GAKPSICQIJWQSO-UHFFFAOYSA-N 0 0 180.276 2.026 10 0 AEAERN Cc1[nH]c(C2CCCC2)nc1O 235829007 344768145 /nfs/dbraw/zinc/76/81/45/344768145.db2.gz UYZWOEOKLUJMBM-UHFFFAOYSA-N 0 0 166.224 2.081 10 0 AEAERN Cc1cc(=S)[nH]c(C2CCC2)n1 235828986 344768166 /nfs/dbraw/zinc/76/81/66/344768166.db2.gz PODGGHNPIDBXJE-UHFFFAOYSA-N 0 0 180.276 2.341 10 0 AEAERN Cc1[nH]c(Cc2ccccc2)nc1O 235832022 344768447 /nfs/dbraw/zinc/76/84/47/344768447.db2.gz ADXDQENDQRQGQZ-UHFFFAOYSA-N 0 0 188.230 2.015 10 0 AEAERN Cc1cc(=S)[nH]c(-c2ccoc2)n1 235833581 344768473 /nfs/dbraw/zinc/76/84/73/344768473.db2.gz CASTVAQKKNFLAQ-UHFFFAOYSA-N 0 0 192.243 2.334 10 0 AEAERN Cc1cc(=S)[nH]c(-c2ccco2)n1 235833335 344768528 /nfs/dbraw/zinc/76/85/28/344768528.db2.gz HQQCMZRXFLGLRC-UHFFFAOYSA-N 0 0 192.243 2.334 10 0 AEAERN Cc1ncc([C@H](NN)C(C)(C)C)s1 235839478 344768793 /nfs/dbraw/zinc/76/87/93/344768793.db2.gz RGVKMVWCJDYXPU-QMMMGPOBSA-N 0 0 199.323 2.002 10 0 AEAERN Cc1oc(=S)[nH]c1C1CC1 235850402 344768812 /nfs/dbraw/zinc/76/88/12/344768812.db2.gz FDEDMHRJVFOBOT-UHFFFAOYSA-N 0 0 155.222 2.149 10 0 AEAERN Cc1cc(-c2ccc[nH]2)nc(=S)[nH]1 235864547 344769151 /nfs/dbraw/zinc/76/91/51/344769151.db2.gz WFPDEWJVNIUFFF-UHFFFAOYSA-N 0 0 191.259 2.069 10 0 AEAERN Cc1cc(NC2CC2)c(N)cc1F 235851093 344769235 /nfs/dbraw/zinc/76/92/35/344769235.db2.gz PAXKAVUHGGWPTA-UHFFFAOYSA-N 0 0 180.226 2.291 10 0 AEAERN Cc1ccc(F)c([C@@H]2NCCS2)c1 235862380 344769247 /nfs/dbraw/zinc/76/92/47/344769247.db2.gz TYURPBHQIUFDJL-SNVBAGLBSA-N 0 0 197.278 2.469 10 0 AEAERN Cc1cc(Cl)ccc1[C@@H]1CC(=O)N1 235863300 344769292 /nfs/dbraw/zinc/76/92/92/344769292.db2.gz VPFXRFLWFORDOH-VIFPVBQESA-N 0 0 195.649 2.209 10 0 AEAERN Cc1occc1Sc1c[nH]nc1N 235865982 344769300 /nfs/dbraw/zinc/76/93/00/344769300.db2.gz VVFYJSLHAMVFKN-UHFFFAOYSA-N 0 0 195.247 2.045 10 0 AEAERN Cc1ccnc(-c2ccoc2)c1N 235927174 344769479 /nfs/dbraw/zinc/76/94/79/344769479.db2.gz CFONQXBUXCIXJI-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1cccc(N2CCCCO2)c1N 235923674 344769522 /nfs/dbraw/zinc/76/95/22/344769522.db2.gz CEIPOXFQGDEEHY-UHFFFAOYSA-N 0 0 192.262 2.109 10 0 AEAERN Cc1cnc(-c2ccoc2)c(N)c1 235926203 344769611 /nfs/dbraw/zinc/76/96/11/344769611.db2.gz WTIPASIUBOFOJX-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1cccc(O[C@@H]2CCOC2)c1C 235918022 344769630 /nfs/dbraw/zinc/76/96/30/344769630.db2.gz HMADDFXYZDGLPJ-LLVKDONJSA-N 0 0 192.258 2.471 10 0 AEAERN Cc1cccc(O[C@H]2CCOC2)c1C 235918923 344769636 /nfs/dbraw/zinc/76/96/36/344769636.db2.gz HMADDFXYZDGLPJ-NSHDSACASA-N 0 0 192.258 2.471 10 0 AEAERN Cc1nnc(-c2ccc(Cl)o2)[nH]1 235931921 344769923 /nfs/dbraw/zinc/76/99/23/344769923.db2.gz BIGAEHOMVIEFII-UHFFFAOYSA-N 0 0 183.598 2.027 10 0 AEAERN Cc1cccc(NC2CC2)c1N 235930576 344769955 /nfs/dbraw/zinc/76/99/55/344769955.db2.gz NIQAVIZPZQBCDA-UHFFFAOYSA-N 0 0 162.236 2.152 10 0 AEAERN Cc1nc([C@@H]2CC2(C)C)nc(N)c1F 235930711 344770006 /nfs/dbraw/zinc/77/00/06/344770006.db2.gz NLHDRLVIIHDARB-LURJTMIESA-N 0 0 195.241 2.020 10 0 AEAERN Cc1nc2ccc(F)cc2c(=S)[nH]1 235953977 344770305 /nfs/dbraw/zinc/77/03/05/344770305.db2.gz CXUHRMZUDMSWSH-UHFFFAOYSA-N 0 0 194.234 2.366 10 0 AEAERN Cc1nc2cc(F)ccc2c(=S)[nH]1 235954164 344770322 /nfs/dbraw/zinc/77/03/22/344770322.db2.gz WKKQWZWOARFMRH-UHFFFAOYSA-N 0 0 194.234 2.366 10 0 AEAERN Cc1nc2c(c(=S)[nH]1)CCCCC2 235953625 344770331 /nfs/dbraw/zinc/77/03/31/344770331.db2.gz FETXIIATOODHLS-UHFFFAOYSA-N 0 0 194.303 2.343 10 0 AEAERN Cc1ncc([C@@H](O)CC2CC2)s1 235952381 344770354 /nfs/dbraw/zinc/77/03/54/344770354.db2.gz XARIBKRFAZUUGD-QMMMGPOBSA-N 0 0 183.276 2.285 10 0 AEAERN Cc1nc(C2CC2)c(=S)[nH]c1C 235952543 344770386 /nfs/dbraw/zinc/77/03/86/344770386.db2.gz JIQCODISGXJUKV-UHFFFAOYSA-N 0 0 180.276 2.260 10 0 AEAERN Cc1nc2cccc(F)c2c(=S)[nH]1 235953786 344770389 /nfs/dbraw/zinc/77/03/89/344770389.db2.gz VUTNBPJMESEPSX-UHFFFAOYSA-N 0 0 194.234 2.366 10 0 AEAERN Cc1ncc([C@@H](N)c2ccco2)s1 235950452 344770397 /nfs/dbraw/zinc/77/03/97/344770397.db2.gz KQNGFVILDLRPLT-VIFPVBQESA-N 0 0 194.259 2.093 10 0 AEAERN Cc1nc(C2CC2)c(C)c(=S)[nH]1 235951303 344770414 /nfs/dbraw/zinc/77/04/14/344770414.db2.gz CMZSXXWTQBDKAO-UHFFFAOYSA-N 0 0 180.276 2.260 10 0 AEAERN Cc1nc(C)c([C@H](O)C2CC2)s1 235949081 344770421 /nfs/dbraw/zinc/77/04/21/344770421.db2.gz IQFGJMLRBPBARV-MRVPVSSYSA-N 0 0 183.276 2.203 10 0 AEAERN Cc1cncc(NCc2ccc[nH]2)c1 235944344 344770425 /nfs/dbraw/zinc/77/04/25/344770425.db2.gz AVCNOJDWZIFHGG-UHFFFAOYSA-N 0 0 187.246 2.330 10 0 AEAERN Cc1nc(CNc2ccsc2)no1 235949706 344770459 /nfs/dbraw/zinc/77/04/59/344770459.db2.gz GIPDQMWVRGHQTQ-UHFFFAOYSA-N 0 0 195.247 2.052 10 0 AEAERN Cc1nc(C)c([C@@H](O)C2CC2)s1 235941859 344770463 /nfs/dbraw/zinc/77/04/63/344770463.db2.gz IQFGJMLRBPBARV-QMMMGPOBSA-N 0 0 183.276 2.203 10 0 AEAERN Cc1ncc(C(=O)c2ccco2)s1 235949079 344770477 /nfs/dbraw/zinc/77/04/77/344770477.db2.gz FUNRLCRBUXCJCH-UHFFFAOYSA-N 0 0 193.227 2.276 10 0 AEAERN Cc1nnc(CNc2ccsc2)o1 235955113 344770478 /nfs/dbraw/zinc/77/04/78/344770478.db2.gz RGPJUFHFYPWAQT-UHFFFAOYSA-N 0 0 195.247 2.052 10 0 AEAERN Cc1nc2c(F)cccc2c(=S)[nH]1 235954249 344770526 /nfs/dbraw/zinc/77/05/26/344770526.db2.gz WFUJADCGRWZAGL-UHFFFAOYSA-N 0 0 194.234 2.366 10 0 AEAERN Cc1nc(-c2ccc[nH]2)cc(=S)[nH]1 235954807 344770532 /nfs/dbraw/zinc/77/05/32/344770532.db2.gz LAXXSYFDQGNQKM-UHFFFAOYSA-N 0 0 191.259 2.069 10 0 AEAERN Cc1nc(-c2ccco2)cc(=S)[nH]1 235955067 344770533 /nfs/dbraw/zinc/77/05/33/344770533.db2.gz LHOMEWNOOJPPIG-UHFFFAOYSA-N 0 0 192.243 2.334 10 0 AEAERN Cc1noc(NC2(C)CCCC2)n1 235963552 344770638 /nfs/dbraw/zinc/77/06/38/344770638.db2.gz QAIIQXNHHRPRBU-UHFFFAOYSA-N 0 0 181.239 2.123 10 0 AEAERN Cc1nc(-c2ccoc2)cc(=S)[nH]1 235955137 344770706 /nfs/dbraw/zinc/77/07/06/344770706.db2.gz CTFMCHCGLKQXCB-UHFFFAOYSA-N 0 0 192.243 2.334 10 0 AEAERN Cc1ncc([C@H](N)c2ccco2)s1 235958489 344770723 /nfs/dbraw/zinc/77/07/23/344770723.db2.gz KQNGFVILDLRPLT-SECBINFHSA-N 0 0 194.259 2.093 10 0 AEAERN Cc1nc(-c2ccco2)ccc1N 235957477 344770731 /nfs/dbraw/zinc/77/07/31/344770731.db2.gz BBQHIAJBNNUYDJ-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1nc(-c2coc(=S)[nH]2)cs1 235961197 344770735 /nfs/dbraw/zinc/77/07/35/344770735.db2.gz VJAWGYMROOAIRG-UHFFFAOYSA-N 0 0 198.272 2.395 10 0 AEAERN Cc1ncc([C@H](O)CC2CC2)s1 235959677 344770757 /nfs/dbraw/zinc/77/07/57/344770757.db2.gz XARIBKRFAZUUGD-MRVPVSSYSA-N 0 0 183.276 2.285 10 0 AEAERN Cc1ncc(-c2csc(N)n2)s1 235961784 344770773 /nfs/dbraw/zinc/77/07/73/344770773.db2.gz FYBYFHJBYGVTMU-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN Cc1nc(-c2ccoc2)ccc1N 235958969 344770820 /nfs/dbraw/zinc/77/08/20/344770820.db2.gz AFRUPRVOZAFHFL-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN Cc1noc(NCCC2CCCC2)n1 235964121 344770830 /nfs/dbraw/zinc/77/08/30/344770830.db2.gz YQYHRVFSIQNZOS-UHFFFAOYSA-N 0 0 195.266 2.370 10 0 AEAERN Cc1nc(C2CC2)[nH]c(=S)c1C 235960964 344770833 /nfs/dbraw/zinc/77/08/33/344770833.db2.gz SHFJPOWAMJNNSY-UHFFFAOYSA-N 0 0 180.276 2.260 10 0 AEAERN Cc1nc(C2(C)CC2)[nH]c(=S)c1C 235960042 344770856 /nfs/dbraw/zinc/77/08/56/344770856.db2.gz PGAOJLMOMQDQPR-UHFFFAOYSA-N 0 0 194.303 2.434 10 0 AEAERN Cc1ncc(C(=O)CC2CC2)s1 235963948 344770858 /nfs/dbraw/zinc/77/08/58/344770858.db2.gz CCOAQUICXGRRDZ-UHFFFAOYSA-N 0 0 181.260 2.434 10 0 AEAERN Cc1ncc(NCC2(C)CC2)nc1C 235964821 344770898 /nfs/dbraw/zinc/77/08/98/344770898.db2.gz SJNFJVPOOMKZME-UHFFFAOYSA-N 0 0 191.278 2.305 10 0 AEAERN Cc1cnnc(NC(C)(C)C2CC2)c1 235974245 344771066 /nfs/dbraw/zinc/77/10/66/344771066.db2.gz NPLXBGHKSUHDPQ-UHFFFAOYSA-N 0 0 191.278 2.386 10 0 AEAERN Cc1nnc(NC(C)(C)C2CC2)s1 235971746 344771089 /nfs/dbraw/zinc/77/10/89/344771089.db2.gz GICLDLOHZSXMSZ-UHFFFAOYSA-N 0 0 197.307 2.447 10 0 AEAERN Cc1nc(CC2CC2)[nH]c(=S)c1C 235965834 344771105 /nfs/dbraw/zinc/77/11/05/344771105.db2.gz HSEIAFTYOXIWAR-UHFFFAOYSA-N 0 0 194.303 2.335 10 0 AEAERN Cc1nc(C2(C)CCCCC2)n[nH]1 235969498 344771113 /nfs/dbraw/zinc/77/11/13/344771113.db2.gz SEJCCMUSUXTUJX-UHFFFAOYSA-N 0 0 179.267 2.335 10 0 AEAERN O=C1CCC[C@@H]1C/C=C/Cl 236016958 344771360 /nfs/dbraw/zinc/77/13/60/344771360.db2.gz YXGASWNMZGIXRZ-XBNAYDIESA-N 0 0 158.628 2.498 10 0 AEAERN Cc1cnnc(NC2CCCC2)c1 235974561 344771386 /nfs/dbraw/zinc/77/13/86/344771386.db2.gz HCTJWLVXVOWBAE-UHFFFAOYSA-N 0 0 177.251 2.140 10 0 AEAERN O=C1NCCCC[C@@H]1C/C=C/Cl 236016979 344771405 /nfs/dbraw/zinc/77/14/05/344771405.db2.gz XMLHYEWOPYZBNW-GWSCVKMXSA-N 0 0 187.670 2.045 10 0 AEAERN Cc1cnnc(NCCC2CCC2)c1 235975333 344771420 /nfs/dbraw/zinc/77/14/20/344771420.db2.gz CDPYRNPMWQWSTD-UHFFFAOYSA-N 0 0 191.278 2.387 10 0 AEAERN O=C1CSC[C@H]1C/C=C/Cl 236016868 344771434 /nfs/dbraw/zinc/77/14/34/344771434.db2.gz AUSNTEYNDNNGMA-OFRQFNDLSA-N 0 0 176.668 2.061 10 0 AEAERN O=C1NCCCC[C@H]1C/C=C/Cl 236016771 344771451 /nfs/dbraw/zinc/77/14/51/344771451.db2.gz XMLHYEWOPYZBNW-HFSLJOEWSA-N 0 0 187.670 2.045 10 0 AEAERN O=C1CSC[C@@H]1C/C=C/Cl 236017047 344771461 /nfs/dbraw/zinc/77/14/61/344771461.db2.gz AUSNTEYNDNNGMA-VWYTZYABSA-N 0 0 176.668 2.061 10 0 AEAERN O=C1CCC[C@H]1C/C=C/Cl 236016744 344771463 /nfs/dbraw/zinc/77/14/63/344771463.db2.gz YXGASWNMZGIXRZ-NZDKBLAQSA-N 0 0 158.628 2.498 10 0 AEAERN O=C(c1cc[nH]c1)c1ccc(Cl)o1 236046025 344771713 /nfs/dbraw/zinc/77/17/13/344771713.db2.gz QGPBWDVPUFORDX-UHFFFAOYSA-N 0 0 195.605 2.492 10 0 AEAERN Clc1cc([C@H]2CO2)cs1 236072518 344772120 /nfs/dbraw/zinc/77/21/20/344772120.db2.gz LNHDZVSZGRKWRM-RXMQYKEDSA-N 0 0 160.625 2.473 10 0 AEAERN Clc1ncccc1NC1CC1 236058635 344772164 /nfs/dbraw/zinc/77/21/64/344772164.db2.gz QLZWPTVFFJQXJO-UHFFFAOYSA-N 0 0 168.627 2.309 10 0 AEAERN Clc1ccc(NC2CC2)cn1 236056076 344772196 /nfs/dbraw/zinc/77/21/96/344772196.db2.gz FUVYYFKQMGNQPU-UHFFFAOYSA-N 0 0 168.627 2.309 10 0 AEAERN Clc1nncn1CC1(C2CC2)CC1 236068794 344772207 /nfs/dbraw/zinc/77/22/07/344772207.db2.gz IPRFJRDAYUMTQU-UHFFFAOYSA-N 0 0 197.669 2.122 10 0 AEAERN Clc1cc([C@@H]2CO2)cs1 236070499 344772242 /nfs/dbraw/zinc/77/22/42/344772242.db2.gz LNHDZVSZGRKWRM-YFKPBYRVSA-N 0 0 160.625 2.473 10 0 AEAERN Cn1nccc1-c1csc(Cl)n1 236092915 344773305 /nfs/dbraw/zinc/77/33/05/344773305.db2.gz MTKXLVUHFVMKGE-UHFFFAOYSA-N 0 0 199.666 2.197 10 0 AEAERN Cn1cnc([C@@H](O)C2CCCCC2)c1 236097882 344773793 /nfs/dbraw/zinc/77/37/93/344773793.db2.gz SFENQXHWQSGOJX-NSHDSACASA-N 0 0 194.278 2.034 10 0 AEAERN Fc1c[nH]c(=S)nc1-c1ccco1 236148244 344775606 /nfs/dbraw/zinc/77/56/06/344775606.db2.gz VHQCOHSOURRYFI-UHFFFAOYSA-N 0 0 196.206 2.164 10 0 AEAERN O=Cc1occc1-c1ccncc1F 236158443 344775884 /nfs/dbraw/zinc/77/58/84/344775884.db2.gz CBLHETOGMLQNTK-UHFFFAOYSA-N 0 0 191.161 2.293 10 0 AEAERN Fc1cc(F)c(NC2CC2)nc1F 236153325 344776024 /nfs/dbraw/zinc/77/60/24/344776024.db2.gz XBXSPPSIGFINBG-UHFFFAOYSA-N 0 0 188.152 2.073 10 0 AEAERN Fc1ccc(NCC2CCC2)cn1 236190351 344777062 /nfs/dbraw/zinc/77/70/62/344777062.db2.gz WPPZOMOWQDAEQP-UHFFFAOYSA-N 0 0 180.226 2.433 10 0 AEAERN O=C(c1ccc[nH]1)C(F)(F)C(F)F 236192584 344777082 /nfs/dbraw/zinc/77/70/82/344777082.db2.gz NAUKOHSXETZMSK-UHFFFAOYSA-N 0 0 195.115 2.098 10 0 AEAERN NNCc1cc(Cl)sc1Cl 236194382 344777526 /nfs/dbraw/zinc/77/75/26/344777526.db2.gz SSFGBFBEIGVGLE-UHFFFAOYSA-N 0 0 197.090 2.018 10 0 AEAERN O=c1[nH]ccc2c(Cl)cc(F)cc12 236217912 344777762 /nfs/dbraw/zinc/77/77/62/344777762.db2.gz HOAMIWVBOWQSSL-UHFFFAOYSA-N 0 0 197.596 2.321 10 0 AEAERN Fc1cc(Sc2ncco2)ccn1 236217072 344777930 /nfs/dbraw/zinc/77/79/30/344777930.db2.gz PUAMLWUMKWGQNY-UHFFFAOYSA-N 0 0 196.206 2.360 10 0 AEAERN Fc1cccc(Sc2ncco2)n1 236235253 344778208 /nfs/dbraw/zinc/77/82/08/344778208.db2.gz KUWPHQSIOWAWAK-UHFFFAOYSA-N 0 0 196.206 2.360 10 0 AEAERN Fc1cc2nc[nH]c(=S)c2cc1F 236261958 344778671 /nfs/dbraw/zinc/77/86/71/344778671.db2.gz UNMOOVMPLCEOIG-UHFFFAOYSA-N 0 0 198.197 2.197 10 0 AEAERN NN[C@@H](C1=CCCCC1)C1CCC1 236264420 344778712 /nfs/dbraw/zinc/77/87/12/344778712.db2.gz QKBHUVDBUHNWLQ-NSHDSACASA-N 0 0 180.295 2.119 10 0 AEAERN NN[C@H](C1=CCCCC1)C1CCC1 236269722 344778929 /nfs/dbraw/zinc/77/89/29/344778929.db2.gz QKBHUVDBUHNWLQ-LLVKDONJSA-N 0 0 180.295 2.119 10 0 AEAERN NCc1ncc(-c2ccoc2Cl)o1 236273784 344779221 /nfs/dbraw/zinc/77/92/21/344779221.db2.gz GHXCNDPNDCIOBZ-UHFFFAOYSA-N 0 0 198.609 2.047 10 0 AEAERN Fc1cncc(C2=NC(=S)OC2)c1 236272547 344779232 /nfs/dbraw/zinc/77/92/32/344779232.db2.gz GMQQNRPMUSXQGF-UHFFFAOYSA-N 0 0 196.206 2.164 10 0 AEAERN NCc1ncc(-c2ccc(Cl)o2)o1 236273168 344779239 /nfs/dbraw/zinc/77/92/39/344779239.db2.gz TYVXYCGUTWZMMU-UHFFFAOYSA-N 0 0 198.609 2.047 10 0 AEAERN Fc1cc(F)c2nc[nH]c(=S)c2c1 236275740 344779309 /nfs/dbraw/zinc/77/93/09/344779309.db2.gz IHXPFTBBANUJRK-UHFFFAOYSA-N 0 0 198.197 2.197 10 0 AEAERN Fc1cncc(-c2n[nH]cc2Cl)c1 236273060 344779395 /nfs/dbraw/zinc/77/93/95/344779395.db2.gz RBFAFIVBTMRYBI-UHFFFAOYSA-N 0 0 197.600 2.264 10 0 AEAERN CC(=O)CC[C@H]1C[C@@H]1C 238506447 344810163 /nfs/dbraw/zinc/81/01/63/344810163.db2.gz CRAVADGLWBJQTO-XPUUQOCRSA-N 0 0 126.199 2.012 10 0 AEAERN N[C@H](C1=CCCCCC1)C(F)F 236299597 344780361 /nfs/dbraw/zinc/78/03/61/344780361.db2.gz SZQUWVBJYOPMPG-MRVPVSSYSA-N 0 0 175.222 2.469 10 0 AEAERN N[C@H](C1=CCCCC1)C(F)F 236299592 344780442 /nfs/dbraw/zinc/78/04/42/344780442.db2.gz KCYRRGMVILMFHK-SSDOTTSWSA-N 0 0 161.195 2.079 10 0 AEAERN N[C@@H](C1=CCCCC1)c1cnns1 236304843 344780527 /nfs/dbraw/zinc/78/05/27/344780527.db2.gz WLBBBWFSZYQHAJ-VIFPVBQESA-N 0 0 195.291 2.038 10 0 AEAERN N[C@@H](C1=CCCO1)c1ccc(Cl)o1 236307325 344780664 /nfs/dbraw/zinc/78/06/64/344780664.db2.gz FAYQSPFWANAFPG-VIFPVBQESA-N 0 0 199.637 2.237 10 0 AEAERN N[C@H](C1=CCCCC1)c1cnns1 236314230 344780802 /nfs/dbraw/zinc/78/08/02/344780802.db2.gz WLBBBWFSZYQHAJ-SECBINFHSA-N 0 0 195.291 2.038 10 0 AEAERN N[C@@H](C1=CCCCCC1)C(F)F 236310243 344780905 /nfs/dbraw/zinc/78/09/05/344780905.db2.gz SZQUWVBJYOPMPG-QMMMGPOBSA-N 0 0 175.222 2.469 10 0 AEAERN N[C@@H](C1=CCCCC1)C(F)F 236310234 344780960 /nfs/dbraw/zinc/78/09/60/344780960.db2.gz KCYRRGMVILMFHK-ZETCQYMHSA-N 0 0 161.195 2.079 10 0 AEAERN N[C@H](C1=CCCO1)c1ccc(Cl)o1 236317184 344781485 /nfs/dbraw/zinc/78/14/85/344781485.db2.gz FAYQSPFWANAFPG-SECBINFHSA-N 0 0 199.637 2.237 10 0 AEAERN Nc1cc(N2CCCCCC2)sn1 236344896 344782258 /nfs/dbraw/zinc/78/22/58/344782258.db2.gz WGSGPWWTIIAGQL-UHFFFAOYSA-N 0 0 197.307 2.106 10 0 AEAERN Nc1ccccc1Sc1ncco1 236346676 344782398 /nfs/dbraw/zinc/78/23/98/344782398.db2.gz URNPGQLPWBAGLE-UHFFFAOYSA-N 0 0 192.243 2.408 10 0 AEAERN OCCC/C=C/CC(F)(F)F 238641558 344816810 /nfs/dbraw/zinc/81/68/10/344816810.db2.gz JWEONGQDYCKMSA-HNQUOIGGSA-N 0 0 168.158 2.268 10 0 AEAERN Nc1cc(NC2CCCCC2)sn1 236355436 344782632 /nfs/dbraw/zinc/78/26/32/344782632.db2.gz ZDSWAQAVJXKFNA-UHFFFAOYSA-N 0 0 197.307 2.470 10 0 AEAERN Nc1nc(-c2cccc(F)c2F)co1 236363709 344782643 /nfs/dbraw/zinc/78/26/43/344782643.db2.gz BCOCPYQCWDHDEF-UHFFFAOYSA-N 0 0 196.156 2.202 10 0 AEAERN Nc1cccc([C@H](O)CC2CCC2)c1 236355828 344782647 /nfs/dbraw/zinc/78/26/47/344782647.db2.gz ZPDCOXWUNYIHJS-GFCCVEGCSA-N 0 0 191.274 2.492 10 0 AEAERN Nc1ccc(Sc2ncco2)cc1 236363853 344782662 /nfs/dbraw/zinc/78/26/62/344782662.db2.gz RFTCQWOCYGAUHA-UHFFFAOYSA-N 0 0 192.243 2.408 10 0 AEAERN Nc1ccc(Sc2ncc[nH]2)cc1 236363245 344782668 /nfs/dbraw/zinc/78/26/68/344782668.db2.gz YMDPIVKETMEDHY-UHFFFAOYSA-N 0 0 191.259 2.143 10 0 AEAERN Nc1cc(NCC2CCCC2)sn1 236357040 344782689 /nfs/dbraw/zinc/78/26/89/344782689.db2.gz MSMHKSCJWDSJPQ-UHFFFAOYSA-N 0 0 197.307 2.327 10 0 AEAERN Nc1cc(NC2CCCC2)sn1 236355328 344782738 /nfs/dbraw/zinc/78/27/38/344782738.db2.gz ZKPBXWSUQIGINM-UHFFFAOYSA-N 0 0 183.280 2.080 10 0 AEAERN Nc1cc(-c2ccc(Cl)o2)on1 236354266 344782765 /nfs/dbraw/zinc/78/27/65/344782765.db2.gz OFQJXMRATQOFKJ-UHFFFAOYSA-N 0 0 184.582 2.170 10 0 AEAERN Nc1cc(-c2ccoc2Cl)on1 236358402 344782799 /nfs/dbraw/zinc/78/27/99/344782799.db2.gz BSWQHKPLNWDAOC-UHFFFAOYSA-N 0 0 184.582 2.170 10 0 AEAERN Nc1cc(-c2ccc(Cl)o2)no1 236354250 344782820 /nfs/dbraw/zinc/78/28/20/344782820.db2.gz VZEKZKZGFRKYHY-UHFFFAOYSA-N 0 0 184.582 2.170 10 0 AEAERN Nc1cc(-c2ccoc2Cl)no1 236358382 344782826 /nfs/dbraw/zinc/78/28/26/344782826.db2.gz SXTIEMNKXVBYRU-UHFFFAOYSA-N 0 0 184.582 2.170 10 0 AEAERN Nc1cccc([C@H](O)C2CCCC2)c1 236355765 344782835 /nfs/dbraw/zinc/78/28/35/344782835.db2.gz TZGBFQGSZBOQIN-GFCCVEGCSA-N 0 0 191.274 2.492 10 0 AEAERN Nc1cccc([C@H](O)C2CCC2)c1 236355751 344782837 /nfs/dbraw/zinc/78/28/37/344782837.db2.gz ZOHHSJVXEYICGX-LLVKDONJSA-N 0 0 177.247 2.102 10 0 AEAERN Nc1ccc([C@H](O)C2CCC2)cc1 236368077 344783047 /nfs/dbraw/zinc/78/30/47/344783047.db2.gz PJLLHTLKRURCQR-LLVKDONJSA-N 0 0 177.247 2.102 10 0 AEAERN Nc1ccc([C@H](O)CC2CC2)cc1 236368115 344783080 /nfs/dbraw/zinc/78/30/80/344783080.db2.gz PEXCSUCRXDQLJV-LLVKDONJSA-N 0 0 177.247 2.102 10 0 AEAERN Nc1ccc([C@@H](O)C2CCC2)cc1 236364327 344783093 /nfs/dbraw/zinc/78/30/93/344783093.db2.gz PJLLHTLKRURCQR-NSHDSACASA-N 0 0 177.247 2.102 10 0 AEAERN Nc1ccc([C@@H](O)CC2CC2)cc1 236365067 344783108 /nfs/dbraw/zinc/78/31/08/344783108.db2.gz PEXCSUCRXDQLJV-NSHDSACASA-N 0 0 177.247 2.102 10 0 AEAERN Nc1nccc2c(F)cc(F)c(F)c12 236366494 344783168 /nfs/dbraw/zinc/78/31/68/344783168.db2.gz RSCILUSPFQAIHE-UHFFFAOYSA-N 0 0 198.147 2.234 10 0 AEAERN Nc1nsc(NC2CC2)c1C1CC1 236364598 344783283 /nfs/dbraw/zinc/78/32/83/344783283.db2.gz XUFKEMOEGQESPV-UHFFFAOYSA-N 0 0 195.291 2.177 10 0 AEAERN Nc1cnc(NC2CCC2)c(Cl)c1 236380190 344783448 /nfs/dbraw/zinc/78/34/48/344783448.db2.gz FSCKQHRZISSSMS-UHFFFAOYSA-N 0 0 197.669 2.282 10 0 AEAERN Nc1cnc(NCC2CC2)c(Cl)c1 236381293 344783468 /nfs/dbraw/zinc/78/34/68/344783468.db2.gz UKUSOYOGKPCCAE-UHFFFAOYSA-N 0 0 197.669 2.139 10 0 AEAERN Nc1csc(-c2cccc(O)c2)n1 236379105 344783514 /nfs/dbraw/zinc/78/35/14/344783514.db2.gz ZIOJLFGROCNLAP-UHFFFAOYSA-N 0 0 192.243 2.098 10 0 AEAERN Nc1cccc([C@@H](O)C2CCCC2)c1 236378962 344783517 /nfs/dbraw/zinc/78/35/17/344783517.db2.gz TZGBFQGSZBOQIN-LBPRGKRZSA-N 0 0 191.274 2.492 10 0 AEAERN Nc1cccc(Sc2ncc[nH]2)c1 236378792 344783564 /nfs/dbraw/zinc/78/35/64/344783564.db2.gz IDXVPTGTFOIRGX-UHFFFAOYSA-N 0 0 191.259 2.143 10 0 AEAERN Nc1cccc(Sc2ncco2)c1 236378854 344783585 /nfs/dbraw/zinc/78/35/85/344783585.db2.gz HFDRSOLHCBSKMR-UHFFFAOYSA-N 0 0 192.243 2.408 10 0 AEAERN Nc1cccc([C@@H](O)CC2CCC2)c1 236378999 344783588 /nfs/dbraw/zinc/78/35/88/344783588.db2.gz ZPDCOXWUNYIHJS-LBPRGKRZSA-N 0 0 191.274 2.492 10 0 AEAERN Nc1cccc([C@@H](O)C2CCC2)c1 236378956 344783592 /nfs/dbraw/zinc/78/35/92/344783592.db2.gz ZOHHSJVXEYICGX-NSHDSACASA-N 0 0 177.247 2.102 10 0 AEAERN Nc1csc(-c2ccc(O)cc2)n1 236379072 344783641 /nfs/dbraw/zinc/78/36/41/344783641.db2.gz QGODUQQQZQPMOJ-UHFFFAOYSA-N 0 0 192.243 2.098 10 0 AEAERN O=C1CCC[C@H](Sc2ncc[nH]2)C1 236403394 344784267 /nfs/dbraw/zinc/78/42/67/344784267.db2.gz UCEJZPCIYDBINS-QMMMGPOBSA-N 0 0 196.275 2.014 10 0 AEAERN O=C1CCC[C@H](Sc2ncco2)C1 236403399 344784390 /nfs/dbraw/zinc/78/43/90/344784390.db2.gz MHUVJZIQPYPPSY-QMMMGPOBSA-N 0 0 197.259 2.278 10 0 AEAERN O=C(c1cncs1)[C@H]1CCCS1 236398598 344784393 /nfs/dbraw/zinc/78/43/93/344784393.db2.gz QOPYOGLKAIRDGL-ZCFIWIBFSA-N 0 0 199.300 2.221 10 0 AEAERN O=C1CCC[C@@H](Sc2ncc[nH]2)C1 236403135 344784405 /nfs/dbraw/zinc/78/44/05/344784405.db2.gz UCEJZPCIYDBINS-MRVPVSSYSA-N 0 0 196.275 2.014 10 0 AEAERN O=C1CCC[C@@H](Sc2ncco2)C1 236403142 344784445 /nfs/dbraw/zinc/78/44/45/344784445.db2.gz MHUVJZIQPYPPSY-MRVPVSSYSA-N 0 0 197.259 2.278 10 0 AEAERN O=C(c1cncs1)[C@@H]1CCCS1 236397756 344784512 /nfs/dbraw/zinc/78/45/12/344784512.db2.gz QOPYOGLKAIRDGL-LURJTMIESA-N 0 0 199.300 2.221 10 0 AEAERN O=Cc1occc1-c1ccc[nH]1 236410489 344784698 /nfs/dbraw/zinc/78/46/98/344784698.db2.gz JTBMYDLMKHPYFR-UHFFFAOYSA-N 0 0 161.160 2.087 10 0 AEAERN O=Cc1occc1-c1ccco1 236410597 344784717 /nfs/dbraw/zinc/78/47/17/344784717.db2.gz MUYWDILXGMBLAG-UHFFFAOYSA-N 0 0 162.144 2.352 10 0 AEAERN O=Cc1occc1-c1ccccn1 236410583 344784730 /nfs/dbraw/zinc/78/47/30/344784730.db2.gz MOOWRDBFCIECTG-UHFFFAOYSA-N 0 0 173.171 2.154 10 0 AEAERN O=Cc1occc1-c1cccnc1 236410589 344784806 /nfs/dbraw/zinc/78/48/06/344784806.db2.gz AKPGITTZFRBINL-UHFFFAOYSA-N 0 0 173.171 2.154 10 0 AEAERN O=Cc1occc1-c1ccncc1 236410609 344784849 /nfs/dbraw/zinc/78/48/49/344784849.db2.gz FRFGQGSQTRXAOO-UHFFFAOYSA-N 0 0 173.171 2.154 10 0 AEAERN O=C1Nc2ccccc2[C@H]1C1CC1 236408054 344784864 /nfs/dbraw/zinc/78/48/64/344784864.db2.gz AYZDLYUWJPOVKD-SNVBAGLBSA-N 0 0 173.215 2.132 10 0 AEAERN O=Cc1occc1-c1ccoc1 236410618 344784886 /nfs/dbraw/zinc/78/48/86/344784886.db2.gz HIEBYZZFJTUKBD-UHFFFAOYSA-N 0 0 162.144 2.352 10 0 AEAERN O=C1Nc2ccccc2[C@@H]1C1CC1 236407937 344784919 /nfs/dbraw/zinc/78/49/19/344784919.db2.gz AYZDLYUWJPOVKD-JTQLQIEISA-N 0 0 173.215 2.132 10 0 AEAERN O=C1CCOC[C@@H]1CC1CCCC1 236412543 344785206 /nfs/dbraw/zinc/78/52/06/344785206.db2.gz YSZNRFNNJZVBMO-JTQLQIEISA-N 0 0 182.263 2.172 10 0 AEAERN O=C1CCOC[C@H]1CC1CCCC1 236413937 344785346 /nfs/dbraw/zinc/78/53/46/344785346.db2.gz YSZNRFNNJZVBMO-SNVBAGLBSA-N 0 0 182.263 2.172 10 0 AEAERN O=Cc1cccc(N2CC3(CC3)C2)c1 236426496 344785719 /nfs/dbraw/zinc/78/57/19/344785719.db2.gz UENFKMIKPXQBCT-UHFFFAOYSA-N 0 0 187.242 2.099 10 0 AEAERN O=Cc1ccc(N2CC3(CC3)C2)cc1 236422914 344785721 /nfs/dbraw/zinc/78/57/21/344785721.db2.gz XSMPMZRQCZPFOX-UHFFFAOYSA-N 0 0 187.242 2.099 10 0 AEAERN OC1(c2ccc(Cl)c(F)c2)CC1 236472358 344786247 /nfs/dbraw/zinc/78/62/47/344786247.db2.gz LAOFCKZZROSAHU-UHFFFAOYSA-N 0 0 186.613 2.461 10 0 AEAERN OC1CCC(Nc2ccsc2)CC1 236470455 344786271 /nfs/dbraw/zinc/78/62/71/344786271.db2.gz GIBNEMZIDFBUHD-UHFFFAOYSA-N 0 0 197.303 2.464 10 0 AEAERN O=C(CC1CCC1)C1(O)CCCCC1 236472875 344786425 /nfs/dbraw/zinc/78/64/25/344786425.db2.gz ZLJTYSJJRYQKBR-UHFFFAOYSA-N 0 0 196.290 2.441 10 0 AEAERN OC1(CCC2CC2)CCC1 236479390 344786466 /nfs/dbraw/zinc/78/64/66/344786466.db2.gz JKCPPDHYQZDZGJ-UHFFFAOYSA-N 0 0 140.226 2.092 10 0 AEAERN OCC1(Nc2ccc(Cl)cc2)CC1 236489415 344786450 /nfs/dbraw/zinc/78/64/50/344786450.db2.gz JQZBEEFTPZGETO-UHFFFAOYSA-N 0 0 197.665 2.277 10 0 AEAERN OCC1(Nc2ccccc2Cl)CC1 236490094 344786484 /nfs/dbraw/zinc/78/64/84/344786484.db2.gz IARGCYLVSIGARX-UHFFFAOYSA-N 0 0 197.665 2.277 10 0 AEAERN O=C(c1ccsc1)C1(O)CCCC1 236477288 344786490 /nfs/dbraw/zinc/78/64/90/344786490.db2.gz BEDZHLNNERRPIA-UHFFFAOYSA-N 0 0 196.271 2.236 10 0 AEAERN OCC1(Nc2cccc(Cl)c2)CC1 236489903 344786526 /nfs/dbraw/zinc/78/65/26/344786526.db2.gz CMGLWFVSOXGWRB-UHFFFAOYSA-N 0 0 197.665 2.277 10 0 AEAERN OCC1=Cc2c(Cl)cccc2OC1 236491463 344786559 /nfs/dbraw/zinc/78/65/59/344786559.db2.gz REALEKIIVMSYPJ-UHFFFAOYSA-N 0 0 196.633 2.108 10 0 AEAERN OC1CC(c2cccc(F)c2F)C1 236486122 344786605 /nfs/dbraw/zinc/78/66/05/344786605.db2.gz BALSKZUMQSNXIU-UHFFFAOYSA-N 0 0 184.185 2.203 10 0 AEAERN O=C(C1CCCCC1)C1(O)CCCC1 236472767 344786622 /nfs/dbraw/zinc/78/66/22/344786622.db2.gz TYUXHJNXFPXEGV-UHFFFAOYSA-N 0 0 196.290 2.441 10 0 AEAERN O=C(c1ccoc1)C1(O)CCCCC1 236477272 344786630 /nfs/dbraw/zinc/78/66/30/344786630.db2.gz JLSYFPXLAJZVDW-UHFFFAOYSA-N 0 0 194.230 2.158 10 0 AEAERN O=C(C1CCC1)C1(O)CCCCC1 236472715 344786673 /nfs/dbraw/zinc/78/66/73/344786673.db2.gz WNIXAHXKMOWYRH-UHFFFAOYSA-N 0 0 182.263 2.051 10 0 AEAERN O=C(C1CCCC1)C1(O)CCCC1 236472737 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344804683 /nfs/dbraw/zinc/80/46/83/344804683.db2.gz OXDHNJKICPOXOH-SECBINFHSA-N 0 0 194.350 2.285 10 0 AEAERN COc1cnc(C(C)C)nc1Cl 238391810 344804900 /nfs/dbraw/zinc/80/49/00/344804900.db2.gz QLDDPGJNCYKASV-UHFFFAOYSA-N 0 0 186.642 2.262 10 0 AEAERN COc1cc(O)cc(OC(F)F)c1 238394800 344805088 /nfs/dbraw/zinc/80/50/88/344805088.db2.gz LACKCYHMQVXOJT-UHFFFAOYSA-N 0 0 190.145 2.002 10 0 AEAERN COC(=O)Cc1cccc(Cl)c1C 238394796 344805123 /nfs/dbraw/zinc/80/51/23/344805123.db2.gz LLWDDJMFNPZXBL-UHFFFAOYSA-N 0 0 198.649 2.364 10 0 AEAERN COc1cc(O)cc(C(F)F)c1 238393979 344805147 /nfs/dbraw/zinc/80/51/47/344805147.db2.gz MPRJNEBIWOFPLN-UHFFFAOYSA-N 0 0 174.146 2.338 10 0 AEAERN COc1cc(O)ccc1OC(F)F 238397241 344805341 /nfs/dbraw/zinc/80/53/41/344805341.db2.gz NZRLEQLEVYFFAO-UHFFFAOYSA-N 0 0 190.145 2.002 10 0 AEAERN COc1cc(O)ccc1C(F)F 238396710 344805448 /nfs/dbraw/zinc/80/54/48/344805448.db2.gz JTOARPNOMDSOGH-UHFFFAOYSA-N 0 0 174.146 2.338 10 0 AEAERN Cc1ccccc1[C@H]1NC(=O)O[C@H]1C 238403228 344805630 /nfs/dbraw/zinc/80/56/30/344805630.db2.gz FJUAWAXFUGJWSR-WPRPVWTQSA-N 0 0 191.230 2.164 10 0 AEAERN COc1cccc([C@@H]2CCC2=O)c1 238403923 344805705 /nfs/dbraw/zinc/80/57/05/344805705.db2.gz FDAZDYMMDJGHEA-JTQLQIEISA-N 0 0 176.215 2.142 10 0 AEAERN COC(=O)c1nc(C2CCC2)oc1C 238420406 344806000 /nfs/dbraw/zinc/80/60/00/344806000.db2.gz XSHMTSJFMJEFPX-UHFFFAOYSA-N 0 0 195.218 2.037 10 0 AEAERN C=C=C(Cc1ccccc1)[C@H](C)O 238418640 344806051 /nfs/dbraw/zinc/80/60/51/344806051.db2.gz CEEKGUHOYLDPSQ-JTQLQIEISA-N 0 0 174.243 2.321 10 0 AEAERN C[C@@H](CCCC(N)=O)c1ccccc1 238422470 344806137 /nfs/dbraw/zinc/80/61/37/344806137.db2.gz PFFCXZLUPSOLGO-JTQLQIEISA-N 0 0 191.274 2.446 10 0 AEAERN CC(=O)NCC1C[C@@H](C)C[C@H](C)C1 238423726 344806167 /nfs/dbraw/zinc/80/61/67/344806167.db2.gz BEOIWWMUITUPCN-IUCAKERBSA-N 0 0 183.295 2.195 10 0 AEAERN CC(=O)NC[C@@H](C)c1ccc(C)cc1 238420177 344806190 /nfs/dbraw/zinc/80/61/90/344806190.db2.gz RNERRMRHZASZOL-SNVBAGLBSA-N 0 0 191.274 2.235 10 0 AEAERN CC(=O)CC[C@H]1C[C@H]1C 238434517 344806295 /nfs/dbraw/zinc/80/62/95/344806295.db2.gz CRAVADGLWBJQTO-SVRRBLITSA-N 0 0 126.199 2.012 10 0 AEAERN C[C@H](c1cc(N)n[nH]1)C(C)(C)C 238428907 344806302 /nfs/dbraw/zinc/80/63/02/344806302.db2.gz BFFIVTPPFIMBLH-ZCFIWIBFSA-N 0 0 167.256 2.142 10 0 AEAERN C[C@H](n1cc(N)cn1)C(C)(C)C 238431756 344806390 /nfs/dbraw/zinc/80/63/90/344806390.db2.gz MJZSKCZAQOIFQP-ZETCQYMHSA-N 0 0 167.256 2.072 10 0 AEAERN Cc1c(C)c(O)c([C@H](C)O)c(C)c1O 238433834 344806418 /nfs/dbraw/zinc/80/64/18/344806418.db2.gz WXZWMYBQHJFERA-QMMMGPOBSA-N 0 0 196.246 2.076 10 0 AEAERN C[C@@H]1C(=O)[C@@H]2CCCCC[C@H]12 238442083 344806658 /nfs/dbraw/zinc/80/66/58/344806658.db2.gz FHKLFGDORANJBM-DJLDLDEBSA-N 0 0 152.237 2.402 10 0 AEAERN COc1c(O)cccc1OC(F)F 238436328 344806675 /nfs/dbraw/zinc/80/66/75/344806675.db2.gz YEFWNWAGSYCCRB-UHFFFAOYSA-N 0 0 190.145 2.002 10 0 AEAERN CC(=O)N[C@H](C)CCc1ccc(C)o1 238438922 344806738 /nfs/dbraw/zinc/80/67/38/344806738.db2.gz NAEOQYUCSGSSOY-MRVPVSSYSA-N 0 0 195.262 2.045 10 0 AEAERN C[C@H](CO)Sc1ccsc1 238435315 344806746 /nfs/dbraw/zinc/80/67/46/344806746.db2.gz SFZMDILCAMMSCA-ZCFIWIBFSA-N 0 0 174.290 2.221 10 0 AEAERN C[C@H](O)c1cccc([Si](C)(C)C)c1 238441545 344806765 /nfs/dbraw/zinc/80/67/65/344806765.db2.gz OCWQRKBTEXAUAD-VIFPVBQESA-N 0 0 194.350 2.285 10 0 AEAERN C[C@H](O)c1ccc([Si](C)(C)C)cc1 238440883 344806817 /nfs/dbraw/zinc/80/68/17/344806817.db2.gz OXDHNJKICPOXOH-VIFPVBQESA-N 0 0 194.350 2.285 10 0 AEAERN C[C@@H](c1cc(N)n[nH]1)C(C)(C)C 238439291 344806857 /nfs/dbraw/zinc/80/68/57/344806857.db2.gz BFFIVTPPFIMBLH-LURJTMIESA-N 0 0 167.256 2.142 10 0 AEAERN C[C@H](F)[C@H](O)c1ccccc1 238449965 344807097 /nfs/dbraw/zinc/80/70/97/344807097.db2.gz CDPUTKJXAMQBKX-CBAPKCEASA-N 0 0 154.184 2.078 10 0 AEAERN C[C@@H]1C(=O)[C@@H]2CCCC[C@H]12 238442179 344807250 /nfs/dbraw/zinc/80/72/50/344807250.db2.gz FLTISFSVIGIMQD-XLPZGREQSA-N 0 0 138.210 2.012 10 0 AEAERN C[Si](C)(C)c1cccc2c1CCN2 238454742 344807478 /nfs/dbraw/zinc/80/74/78/344807478.db2.gz VBVMUZVFJACSIH-UHFFFAOYSA-N 0 0 191.350 2.200 10 0 AEAERN Cc1ccc(O)c(OC(F)F)c1 238456993 344807511 /nfs/dbraw/zinc/80/75/11/344807511.db2.gz UIXZJRQEAMTXEJ-UHFFFAOYSA-N 0 0 174.146 2.302 10 0 AEAERN C[Si](C)(C)c1cc(F)ccc1O 238452523 344807550 /nfs/dbraw/zinc/80/75/50/344807550.db2.gz AYGVTXFDGUBPME-UHFFFAOYSA-N 0 0 184.286 2.077 10 0 AEAERN Cc1ccc(OC(F)(F)F)nc1F 238463844 344807698 /nfs/dbraw/zinc/80/76/98/344807698.db2.gz AYDOZYSPNYHURH-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1ccc(OC(F)(F)F)c(F)n1 238462998 344807719 /nfs/dbraw/zinc/80/77/19/344807719.db2.gz SLRHXEFZUJZGRL-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN CC(=O)NCC1C[C@H](C)C[C@@H](C)C1 238465120 344807767 /nfs/dbraw/zinc/80/77/67/344807767.db2.gz BEOIWWMUITUPCN-RKDXNWHRSA-N 0 0 183.295 2.195 10 0 AEAERN Cc1ccc(OC(F)F)cc1O 238464248 344807771 /nfs/dbraw/zinc/80/77/71/344807771.db2.gz BNEABEICFDKVNS-UHFFFAOYSA-N 0 0 174.146 2.302 10 0 AEAERN Cc1ccc(O)cc1OC(F)F 238460630 344807880 /nfs/dbraw/zinc/80/78/80/344807880.db2.gz VXCYQMDKPIQBQK-UHFFFAOYSA-N 0 0 174.146 2.302 10 0 AEAERN Cc1cc(O)c(C)c2c1COC2 238468314 344808060 /nfs/dbraw/zinc/80/80/60/344808060.db2.gz UFMWTPKFUZWMKI-UHFFFAOYSA-N 0 0 164.204 2.039 10 0 AEAERN C[C@H](CC1CCCCC1)NC=O 238466834 344808094 /nfs/dbraw/zinc/80/80/94/344808094.db2.gz WTNUILHSNSHRRF-SECBINFHSA-N 0 0 169.268 2.091 10 0 AEAERN Cc1c(Cl)ccc2nccn12 238468251 344808132 /nfs/dbraw/zinc/80/81/32/344808132.db2.gz GAIKCNAPPLLZBJ-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN Cc1ncc(F)cc1OC(F)(F)F 238477733 344808412 /nfs/dbraw/zinc/80/84/12/344808412.db2.gz LCUSHKBGIURATH-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1ccnc2c(N)ccc(C)c12 238475238 344808567 /nfs/dbraw/zinc/80/85/67/344808567.db2.gz FDQIJYLSPSLKQA-UHFFFAOYSA-N 0 0 172.231 2.434 10 0 AEAERN Cc1cc(O)c(C)c2c1O[C@@H](C)C2 238479809 344808731 /nfs/dbraw/zinc/80/87/31/344808731.db2.gz DCXZFTSBYJSMCL-ZETCQYMHSA-N 0 0 178.231 2.332 10 0 AEAERN Cc1nccc(F)c1Cl 238490439 344808874 /nfs/dbraw/zinc/80/88/74/344808874.db2.gz OSDVYXZTPFVOSP-UHFFFAOYSA-N 0 0 145.564 2.183 10 0 AEAERN Cc1c(F)ccc(CO)c1Cl 238488181 344808950 /nfs/dbraw/zinc/80/89/50/344808950.db2.gz JCAUQHYEGPHXGI-UHFFFAOYSA-N 0 0 174.602 2.280 10 0 AEAERN Cc1ccccc1[C@@H]1CCC1=O 238489962 344808977 /nfs/dbraw/zinc/80/89/77/344808977.db2.gz HKZRMFOXCUFTJY-JTQLQIEISA-N 0 0 160.216 2.442 10 0 AEAERN Cc1ccccc1[C@@H]1NC(=O)O[C@@H]1C 238488204 344809002 /nfs/dbraw/zinc/80/90/02/344809002.db2.gz FJUAWAXFUGJWSR-PSASIEDQSA-N 0 0 191.230 2.164 10 0 AEAERN Cc1ncc(OC(F)(F)F)cc1F 238485314 344809027 /nfs/dbraw/zinc/80/90/27/344809027.db2.gz SXSQPLYIEZSTRJ-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1cc(C(=O)C(F)(F)F)sn1 238485394 344809147 /nfs/dbraw/zinc/80/91/47/344809147.db2.gz GHGODZRZELKCSY-UHFFFAOYSA-N 0 0 195.165 2.197 10 0 AEAERN Cc1ccc(F)c(OC(F)(F)F)n1 238491291 344809250 /nfs/dbraw/zinc/80/92/50/344809250.db2.gz JFWGVFRXOSQAIZ-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1cc(O)c(C)c2c1O[C@H](C)C2 238491558 344809260 /nfs/dbraw/zinc/80/92/60/344809260.db2.gz DCXZFTSBYJSMCL-SSDOTTSWSA-N 0 0 178.231 2.332 10 0 AEAERN C[C@]1(Cl)C(=O)[C@@H]2CCCC[C@@H]21 238492834 344809306 /nfs/dbraw/zinc/80/93/06/344809306.db2.gz RDXLMLKHDGOBIO-BKPPORCPSA-N 0 0 172.655 2.373 10 0 AEAERN C[C@]1(Cl)C(=O)[C@H]2CCCC[C@@H]21 238492808 344809323 /nfs/dbraw/zinc/80/93/23/344809323.db2.gz RDXLMLKHDGOBIO-ACLDMZEESA-N 0 0 172.655 2.373 10 0 AEAERN Cc1cc(OC(F)(F)F)cc(F)n1 238494742 344809352 /nfs/dbraw/zinc/80/93/52/344809352.db2.gz UTMKEQPDOXFWLZ-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1ccccc1[C@H]1CCC1=O 238495320 344809379 /nfs/dbraw/zinc/80/93/79/344809379.db2.gz HKZRMFOXCUFTJY-SNVBAGLBSA-N 0 0 160.216 2.442 10 0 AEAERN Cc1cc(OC(F)(F)F)c(F)cn1 238492865 344809403 /nfs/dbraw/zinc/80/94/03/344809403.db2.gz GGDDEIFGBIEUFV-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1cc(OC(F)(F)F)cnc1F 238495461 344809477 /nfs/dbraw/zinc/80/94/77/344809477.db2.gz KVBVDEPDXLABDE-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1ccc(F)nc1OC(F)(F)F 238500326 344809685 /nfs/dbraw/zinc/80/96/85/344809685.db2.gz IOPAJCFMYROPSX-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1cc(OC(F)F)ccc1CO 238497272 344809698 /nfs/dbraw/zinc/80/96/98/344809698.db2.gz KUMJDPLRDOMMMO-UHFFFAOYSA-N 0 0 188.173 2.089 10 0 AEAERN Cc1cc(OC(F)(F)F)ncc1F 238496981 344809734 /nfs/dbraw/zinc/80/97/34/344809734.db2.gz SYCYGKHIWOBAIQ-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1cccc(C(=O)CCCCO)c1 238501302 344809752 /nfs/dbraw/zinc/80/97/52/344809752.db2.gz YKSCWGSROKMMAW-UHFFFAOYSA-N 0 0 192.258 2.340 10 0 AEAERN Cc1c(OC(F)(F)F)ccnc1F 238499055 344809778 /nfs/dbraw/zinc/80/97/78/344809778.db2.gz AWYWYICAZILLCJ-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1ccccc1[C@H]1NC(=O)C1(C)C 238497258 344809810 /nfs/dbraw/zinc/80/98/10/344809810.db2.gz DPAYQGBUADIABX-SNVBAGLBSA-N 0 0 189.258 2.192 10 0 AEAERN Cc1ccc2c(c1O)CO[C@@H]2C 238500161 344809812 /nfs/dbraw/zinc/80/98/12/344809812.db2.gz RWTKRZPUGMOEBQ-SSDOTTSWSA-N 0 0 164.204 2.292 10 0 AEAERN Cc1cccc([C@@H]2CCC2=O)c1 238506116 344809997 /nfs/dbraw/zinc/80/99/97/344809997.db2.gz MLGKXIJQXPPCMA-JTQLQIEISA-N 0 0 160.216 2.442 10 0 AEAERN Cc1cc2ccc(C)c(O)c2[nH]1 238509570 344809999 /nfs/dbraw/zinc/80/99/99/344809999.db2.gz RRZRTHRYRVUJOW-UHFFFAOYSA-N 0 0 161.204 2.490 10 0 AEAERN Cc1nn(C)c(C)c1OC1CCCC1 238512683 344810101 /nfs/dbraw/zinc/81/01/01/344810101.db2.gz OAAGWUBWQCNHIX-UHFFFAOYSA-N 0 0 194.278 2.358 10 0 AEAERN Cc1c(N)c(C)c(F)c(C)c1F 238514206 344810136 /nfs/dbraw/zinc/81/01/36/344810136.db2.gz AEYOEIHIOULMLN-UHFFFAOYSA-N 0 0 171.190 2.472 10 0 AEAERN Cc1cc2cc(O)cc(F)c2[nH]1 238508350 344810149 /nfs/dbraw/zinc/81/01/49/344810149.db2.gz IXZNHHYONRWWAS-UHFFFAOYSA-N 0 0 165.167 2.321 10 0 AEAERN Cc1cccc([C@H]2CCC2=O)c1 238515185 344810189 /nfs/dbraw/zinc/81/01/89/344810189.db2.gz MLGKXIJQXPPCMA-SNVBAGLBSA-N 0 0 160.216 2.442 10 0 AEAERN Cc1ccc2c(C)c(C(N)=[NH2+])oc2c1 238515916 344810435 /nfs/dbraw/zinc/81/04/35/344810435.db2.gz WAZWBTQUTFOUIH-UHFFFAOYSA-N 0 0 188.230 2.334 10 0 AEAERN Cc1nc(Cl)cc([C@H]2CCCO2)n1 238521466 344810511 /nfs/dbraw/zinc/81/05/11/344810511.db2.gz DOSPIMNKMNDKFO-MRVPVSSYSA-N 0 0 198.653 2.290 10 0 AEAERN Clc1nc(C2CC2)c2[nH]ccc2n1 238517336 344810521 /nfs/dbraw/zinc/81/05/21/344810521.db2.gz HZMKUYFYJRPYID-UHFFFAOYSA-N 0 0 193.637 2.489 10 0 AEAERN Cc1nc(Cl)cc([C@@H]2CCCO2)n1 238521432 344810560 /nfs/dbraw/zinc/81/05/60/344810560.db2.gz DOSPIMNKMNDKFO-QMMMGPOBSA-N 0 0 198.653 2.290 10 0 AEAERN Cc1cc(F)cc(C=O)c1F 238527431 344810789 /nfs/dbraw/zinc/81/07/89/344810789.db2.gz GURLTECGDSUEFC-UHFFFAOYSA-N 0 0 156.131 2.086 10 0 AEAERN Cc1cnc(F)c(OC(F)(F)F)c1 238526230 344810908 /nfs/dbraw/zinc/81/09/08/344810908.db2.gz PNHPJMQPMHPWSX-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1cnc(F)cc1Cl 238526619 344810961 /nfs/dbraw/zinc/81/09/61/344810961.db2.gz MDKKSKFUTLOJOW-UHFFFAOYSA-N 0 0 145.564 2.183 10 0 AEAERN Cc1cnc(F)cc1OC(F)(F)F 238526669 344810989 /nfs/dbraw/zinc/81/09/89/344810989.db2.gz MBDCRLDUCIXLDQ-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN FC(F)Oc1ccncc1Cl 238531597 344811084 /nfs/dbraw/zinc/81/10/84/344811084.db2.gz QUEDGYWJBKXIFM-UHFFFAOYSA-N 0 0 179.553 2.336 10 0 AEAERN Fc1ccc(OC(F)(F)F)cn1 238533203 344811135 /nfs/dbraw/zinc/81/11/35/344811135.db2.gz SMEDZBZPHZCNKF-UHFFFAOYSA-N 0 0 181.088 2.119 10 0 AEAERN FC(F)Oc1nccnc1C(F)F 238532884 344811150 /nfs/dbraw/zinc/81/11/50/344811150.db2.gz SDFISBAEZGVJDA-UHFFFAOYSA-N 0 0 196.103 2.016 10 0 AEAERN Fc1ccc(OC(F)(F)F)nc1F 238533468 344811174 /nfs/dbraw/zinc/81/11/74/344811174.db2.gz AIKKQOVLXIIUJA-UHFFFAOYSA-N 0 0 199.078 2.258 10 0 AEAERN Cc1cc(C(=O)[O-])ccc1[N+]#N 238530374 344811178 /nfs/dbraw/zinc/81/11/78/344811178.db2.gz WEPRMECBSPGCJI-UHFFFAOYSA-O 0 0 163.156 2.178 10 0 AEAERN Fc1ccc(OC(F)(F)F)nc1 238533227 344811268 /nfs/dbraw/zinc/81/12/68/344811268.db2.gz ZULGNMKDKKBFNO-UHFFFAOYSA-N 0 0 181.088 2.119 10 0 AEAERN FC(F)Oc1cnc(C(F)F)cn1 238531753 344811294 /nfs/dbraw/zinc/81/12/94/344811294.db2.gz PBOSWCVPKJJHBM-UHFFFAOYSA-N 0 0 196.103 2.016 10 0 AEAERN Cn1c(Cl)c(C=O)c2cccnc21 238533565 344811352 /nfs/dbraw/zinc/81/13/52/344811352.db2.gz MEKOJWAXHXYKHO-UHFFFAOYSA-N 0 0 194.621 2.039 10 0 AEAERN Fc1ccc(OC(F)(F)F)c(F)n1 238533037 344811376 /nfs/dbraw/zinc/81/13/76/344811376.db2.gz NXXSNJFPIIPSAA-UHFFFAOYSA-N 0 0 199.078 2.258 10 0 AEAERN Cc1cc(F)cc(OC(F)(F)F)n1 238528668 344811415 /nfs/dbraw/zinc/81/14/15/344811415.db2.gz QWNAZOUWOYTUQL-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1cc(F)ncc1OC(F)(F)F 238539619 344811450 /nfs/dbraw/zinc/81/14/50/344811450.db2.gz VFHRHFKVOBTHNG-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1cc(F)nc(OC(F)(F)F)c1 238539152 344811633 /nfs/dbraw/zinc/81/16/33/344811633.db2.gz LJWNMARFEUPLBY-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1cnc(OC(F)(F)F)c(F)c1 238535628 344811513 /nfs/dbraw/zinc/81/15/13/344811513.db2.gz YFKYIXADGZVPDK-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN O=C1CC[C@H]1c1cccc(F)c1 238536379 344811531 /nfs/dbraw/zinc/81/15/31/344811531.db2.gz UOJORIPSPWHABU-VIFPVBQESA-N 0 0 164.179 2.272 10 0 AEAERN Cc1cnc(OC(F)(F)F)cc1F 238536380 344811537 /nfs/dbraw/zinc/81/15/37/344811537.db2.gz NCBYIKHAELFJJG-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1cccc(OC(F)(F)F)c1N 238538324 344811539 /nfs/dbraw/zinc/81/15/39/344811539.db2.gz GATVQXCNZKDHBU-UHFFFAOYSA-N 0 0 191.152 2.476 10 0 AEAERN Cc1cc(-c2ccccc2O)no1 238534284 344811553 /nfs/dbraw/zinc/81/15/53/344811553.db2.gz GLUMTCUPIQDLKJ-UHFFFAOYSA-N 0 0 175.187 2.356 10 0 AEAERN O=C1CCc2cccc(OC(F)F)c21 238535755 344811596 /nfs/dbraw/zinc/81/15/96/344811596.db2.gz TVQPFRSLVVCGOU-UHFFFAOYSA-N 0 0 198.168 2.417 10 0 AEAERN Cc1cc(F)cnc1OC(F)(F)F 238537681 344811624 /nfs/dbraw/zinc/81/16/24/344811624.db2.gz UEWLXROYVIATLQ-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1cccc(O)c1OC(F)F 238535635 344811703 /nfs/dbraw/zinc/81/17/03/344811703.db2.gz LGXQSSCFXKOZRE-UHFFFAOYSA-N 0 0 174.146 2.302 10 0 AEAERN Cc1nc(F)ccc1OC(F)(F)F 238539428 344811707 /nfs/dbraw/zinc/81/17/07/344811707.db2.gz MZDYBXFZAZISSO-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1cccc(OC(F)F)c1O 238538597 344811726 /nfs/dbraw/zinc/81/17/26/344811726.db2.gz RGOZLEXOWYVHDX-UHFFFAOYSA-N 0 0 174.146 2.302 10 0 AEAERN O=C1CC[C@@H]1c1cccc(F)c1 238538424 344811743 /nfs/dbraw/zinc/81/17/43/344811743.db2.gz UOJORIPSPWHABU-SECBINFHSA-N 0 0 164.179 2.272 10 0 AEAERN FC(F)(F)Oc1cncc(Cl)n1 238543909 344811911 /nfs/dbraw/zinc/81/19/11/344811911.db2.gz CZJMDBUXUPTBQG-UHFFFAOYSA-N 0 0 198.531 2.029 10 0 AEAERN Cc1cncc(OC(F)(F)F)c1F 238542784 344811961 /nfs/dbraw/zinc/81/19/61/344811961.db2.gz LNKDSHZNRSOURG-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Cc1cncc(F)c1OC(F)(F)F 238541881 344811984 /nfs/dbraw/zinc/81/19/84/344811984.db2.gz UTTOYGJCIJXWJH-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Fc1cccc(-c2cncs2)n1 238542356 344811993 /nfs/dbraw/zinc/81/19/93/344811993.db2.gz GPHKVBLESGFFEP-UHFFFAOYSA-N 0 0 180.207 2.344 10 0 AEAERN O=C1CCc2c1cc(F)c(F)c2F 238540068 344812003 /nfs/dbraw/zinc/81/20/03/344812003.db2.gz JXTLSFSNTNJKDZ-UHFFFAOYSA-N 0 0 186.132 2.233 10 0 AEAERN Cc1cc(F)c2c(c1)[C@H](O)CC2 238540388 344812018 /nfs/dbraw/zinc/81/20/18/344812018.db2.gz HEFNFHXFSLKZEH-SNVBAGLBSA-N 0 0 166.195 2.114 10 0 AEAERN Cc1cc(C(=O)c2ccoc2)c(C)[nH]1 238540824 344812027 /nfs/dbraw/zinc/81/20/27/344812027.db2.gz NTCFEXXWAKPADP-UHFFFAOYSA-N 0 0 189.214 2.456 10 0 AEAERN Fc1ccnc(-c2cncs2)c1 238547140 344812073 /nfs/dbraw/zinc/81/20/73/344812073.db2.gz SMEHVDKFLQBZSS-UHFFFAOYSA-N 0 0 180.207 2.344 10 0 AEAERN Cc1cc(F)c2c(c1)[C@@H](O)CC2 238540542 344812075 /nfs/dbraw/zinc/81/20/75/344812075.db2.gz HEFNFHXFSLKZEH-JTQLQIEISA-N 0 0 166.195 2.114 10 0 AEAERN NC(=O)c1ccc(C2CCC2)cc1 238546039 344812111 /nfs/dbraw/zinc/81/21/11/344812111.db2.gz ASPWDMIXPTWHPY-UHFFFAOYSA-N 0 0 175.231 2.053 10 0 AEAERN NC(=O)c1cc2cscc2s1 238545548 344812116 /nfs/dbraw/zinc/81/21/16/344812116.db2.gz YYTAILWZPJMDCT-UHFFFAOYSA-N 0 0 183.257 2.062 10 0 AEAERN Fc1cccc(OC(F)(F)F)n1 238549728 344812371 /nfs/dbraw/zinc/81/23/71/344812371.db2.gz XRXYSEGWXJZLKF-UHFFFAOYSA-N 0 0 181.088 2.119 10 0 AEAERN Cc1cocc1[C@@H](N)C(F)(F)F 238550981 344812420 /nfs/dbraw/zinc/81/24/20/344812420.db2.gz LGWXAVWQKQCGBQ-ZCFIWIBFSA-N 0 0 179.141 2.150 10 0 AEAERN Cc1ccc(C(=O)OC(C)(C)C)[nH]1 238551436 344812424 /nfs/dbraw/zinc/81/24/24/344812424.db2.gz AZKQSHCXZFBJIX-UHFFFAOYSA-N 0 0 181.235 2.278 10 0 AEAERN Clc1ccnc([C@H]2CCOC2)c1 238554504 344812455 /nfs/dbraw/zinc/81/24/55/344812455.db2.gz PNGPZLNXPZYEJQ-ZETCQYMHSA-N 0 0 183.638 2.239 10 0 AEAERN N#CNCC1CCCCCC1 238554385 344812498 /nfs/dbraw/zinc/81/24/98/344812498.db2.gz QCNFRPCNBQNXIV-UHFFFAOYSA-N 0 0 152.241 2.027 10 0 AEAERN Clc1ccnc([C@@H]2CCOC2)c1 238554368 344812522 /nfs/dbraw/zinc/81/25/22/344812522.db2.gz PNGPZLNXPZYEJQ-SSDOTTSWSA-N 0 0 183.638 2.239 10 0 AEAERN Cc1ccc(C(=O)C(C)(F)F)o1 238547968 344812587 /nfs/dbraw/zinc/81/25/87/344812587.db2.gz OXKAYDBUINYCDZ-UHFFFAOYSA-N 0 0 174.146 2.426 10 0 AEAERN Cc1cocc1[C@H](N)C(F)(F)F 238551102 344812597 /nfs/dbraw/zinc/81/25/97/344812597.db2.gz LGWXAVWQKQCGBQ-LURJTMIESA-N 0 0 179.141 2.150 10 0 AEAERN Clc1ccnc(-c2ncco2)c1 238554625 344812643 /nfs/dbraw/zinc/81/26/43/344812643.db2.gz GVUPSLMTRJGMCG-UHFFFAOYSA-N 0 0 180.594 2.390 10 0 AEAERN FC(F)(F)Oc1nccnc1Cl 238550341 344812686 /nfs/dbraw/zinc/81/26/86/344812686.db2.gz NINUHVSVFBHFEE-UHFFFAOYSA-N 0 0 198.531 2.029 10 0 AEAERN FC(F)c1cncnc1Cl 238560751 344812940 /nfs/dbraw/zinc/81/29/40/344812940.db2.gz HRXKKHDCWNLPPG-UHFFFAOYSA-N 0 0 164.542 2.068 10 0 AEAERN O=C1CC[C@@H]1c1ccccc1F 238566461 344813296 /nfs/dbraw/zinc/81/32/96/344813296.db2.gz WTYYZOAIIYIGJJ-MRVPVSSYSA-N 0 0 164.179 2.272 10 0 AEAERN N[C@@H](CF)c1c(F)ccc(F)c1F 238571914 344813429 /nfs/dbraw/zinc/81/34/29/344813429.db2.gz YNZULEGNXGZAFE-LURJTMIESA-N 0 0 193.143 2.073 10 0 AEAERN Cc1nc(OC(F)(F)F)ccc1F 238563562 344813504 /nfs/dbraw/zinc/81/35/04/344813504.db2.gz SMWUOSVAELAMOW-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN Clc1ncnc(C2CCCC2)n1 238574228 344813736 /nfs/dbraw/zinc/81/37/36/344813736.db2.gz GKPVNCNJCMFRFO-UHFFFAOYSA-N 0 0 183.642 2.183 10 0 AEAERN Fc1ccnc(F)c1OC(F)(F)F 238573756 344813741 /nfs/dbraw/zinc/81/37/41/344813741.db2.gz PKUWVBOVDPVBEA-UHFFFAOYSA-N 0 0 199.078 2.258 10 0 AEAERN Clc1nccc(N[C@H]2C=CCC2)n1 238572861 344813785 /nfs/dbraw/zinc/81/37/85/344813785.db2.gz ZWOZVIKLOGRDBI-ZETCQYMHSA-N 0 0 195.653 2.261 10 0 AEAERN Clc1ncnc(-c2ccsc2)n1 238574753 344813796 /nfs/dbraw/zinc/81/37/96/344813796.db2.gz MKFRSVCRXQPTPH-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN O=Cc1cc(F)cnc1C(F)(F)F 238576898 344813832 /nfs/dbraw/zinc/81/38/32/344813832.db2.gz NPNGLGJGUMPYAF-UHFFFAOYSA-N 0 0 193.099 2.052 10 0 AEAERN Clc1nccc(N[C@@H]2C=CCC2)n1 238572885 344813848 /nfs/dbraw/zinc/81/38/48/344813848.db2.gz ZWOZVIKLOGRDBI-SSDOTTSWSA-N 0 0 195.653 2.261 10 0 AEAERN Fc1ccncc1OC(F)(F)F 238574834 344813907 /nfs/dbraw/zinc/81/39/07/344813907.db2.gz HTSSJTSJXCOABH-UHFFFAOYSA-N 0 0 181.088 2.119 10 0 AEAERN Fc1ccnc(OC(F)(F)F)c1 238573909 344813910 /nfs/dbraw/zinc/81/39/10/344813910.db2.gz JWOZTFHIHFXOHY-UHFFFAOYSA-N 0 0 181.088 2.119 10 0 AEAERN Fc1ccnc(OC(F)(F)F)c1F 238574204 344813964 /nfs/dbraw/zinc/81/39/64/344813964.db2.gz SBLFFVQAVXYDAC-UHFFFAOYSA-N 0 0 199.078 2.258 10 0 AEAERN Fc1cnc(OC(F)(F)F)c(F)c1 238583827 344814247 /nfs/dbraw/zinc/81/42/47/344814247.db2.gz WYGYEBABWURIJI-UHFFFAOYSA-N 0 0 199.078 2.258 10 0 AEAERN O=C1CCCC[C@@H]1c1ccc[nH]1 238581509 344814265 /nfs/dbraw/zinc/81/42/65/344814265.db2.gz MNJIJIRCBBKDQH-MRVPVSSYSA-N 0 0 163.220 2.241 10 0 AEAERN O=C1CCCC[C@H]1c1ccc[nH]1 238582964 344814268 /nfs/dbraw/zinc/81/42/68/344814268.db2.gz MNJIJIRCBBKDQH-QMMMGPOBSA-N 0 0 163.220 2.241 10 0 AEAERN Fc1cnc(OC(F)(F)F)cc1F 238584373 344814304 /nfs/dbraw/zinc/81/43/04/344814304.db2.gz HGQCUPFWQXHLQF-UHFFFAOYSA-N 0 0 199.078 2.258 10 0 AEAERN Fc1c[nH]c(=S)c(Cl)c1 238584576 344814307 /nfs/dbraw/zinc/81/43/07/344814307.db2.gz DRLBNENDAHYONE-UHFFFAOYSA-N 0 0 163.604 2.163 10 0 AEAERN Fc1cnc(F)c(OC(F)(F)F)c1 238581367 344814314 /nfs/dbraw/zinc/81/43/14/344814314.db2.gz UVJPXMKVXCSHLH-UHFFFAOYSA-N 0 0 199.078 2.258 10 0 AEAERN Fc1cncc(OC(F)(F)F)c1F 238586048 344814550 /nfs/dbraw/zinc/81/45/50/344814550.db2.gz BCBHMPBBKLIVKT-UHFFFAOYSA-N 0 0 199.078 2.258 10 0 AEAERN O=C1CC[C@H]1c1ccc(F)cc1 238589672 344814563 /nfs/dbraw/zinc/81/45/63/344814563.db2.gz BCKGUSIIZVZZPN-VIFPVBQESA-N 0 0 164.179 2.272 10 0 AEAERN Fc1cncc(F)c1OC(F)(F)F 238585333 344814595 /nfs/dbraw/zinc/81/45/95/344814595.db2.gz UTMALBWXVHBKDS-UHFFFAOYSA-N 0 0 199.078 2.258 10 0 AEAERN O=C1CCC[C@@H]1c1c(F)cncc1F 238585583 344814598 /nfs/dbraw/zinc/81/45/98/344814598.db2.gz WVOGXJUPDRRMQS-LURJTMIESA-N 0 0 197.184 2.196 10 0 AEAERN Fc1nc(Cl)nc2ccccc12 238592062 344814655 /nfs/dbraw/zinc/81/46/55/344814655.db2.gz SCPOJFLIOWDSJI-UHFFFAOYSA-N 0 0 182.585 2.422 10 0 AEAERN O=C1CCC[C@H]1c1c(F)cncc1F 238585442 344814702 /nfs/dbraw/zinc/81/47/02/344814702.db2.gz WVOGXJUPDRRMQS-ZCFIWIBFSA-N 0 0 197.184 2.196 10 0 AEAERN Nc1cc(Cl)c2ccc(=O)cc-2[nH]1 238595742 344814959 /nfs/dbraw/zinc/81/49/59/344814959.db2.gz OSTWHSRYTDNINO-UHFFFAOYSA-N 0 0 194.621 2.176 10 0 AEAERN O=c1[nH]c2cc3c(cc2s1)CCC3 238600306 344815032 /nfs/dbraw/zinc/81/50/32/344815032.db2.gz JZNCOWPFGOYJLW-UHFFFAOYSA-N 0 0 191.255 2.078 10 0 AEAERN O=C1CC[C@@H]1c1ccc(F)cc1 238597286 344815087 /nfs/dbraw/zinc/81/50/87/344815087.db2.gz BCKGUSIIZVZZPN-SECBINFHSA-N 0 0 164.179 2.272 10 0 AEAERN Fc1nccc(OC(F)(F)F)c1F 238601573 344815322 /nfs/dbraw/zinc/81/53/22/344815322.db2.gz NUAGRSLTPIKIHM-UHFFFAOYSA-N 0 0 199.078 2.258 10 0 AEAERN Fc1cc(F)nc(OC(F)(F)F)c1 238601682 344815437 /nfs/dbraw/zinc/81/54/37/344815437.db2.gz OXHAWGCRWBTHCB-UHFFFAOYSA-N 0 0 199.078 2.258 10 0 AEAERN OCC=C=C/C=C/c1ccccc1 238632991 344816289 /nfs/dbraw/zinc/81/62/89/344816289.db2.gz DHPSCNHANMNPEJ-XBXARRHUSA-N 0 0 172.227 2.403 10 0 AEAERN O=c1[nH]c2ccccc2c2ccoc12 238630719 344816390 /nfs/dbraw/zinc/81/63/90/344816390.db2.gz YPSHHVDRKUVPMP-UHFFFAOYSA-N 0 0 185.182 2.274 10 0 AEAERN O=CN[C@@H]1CCCCC12CCCC2 238630807 344816533 /nfs/dbraw/zinc/81/65/33/344816533.db2.gz ZVVLIEYJEMKUFC-SNVBAGLBSA-N 0 0 181.279 2.235 10 0 AEAERN O=CN[C@H]1CCCCC12CCCC2 238632581 344816535 /nfs/dbraw/zinc/81/65/35/344816535.db2.gz ZVVLIEYJEMKUFC-JTQLQIEISA-N 0 0 181.279 2.235 10 0 AEAERN OCCC/C=C/[C@H](O)c1ccccc1 238641758 344816675 /nfs/dbraw/zinc/81/66/75/344816675.db2.gz GMCBRSPESQLBII-LHXVZLOVSA-N 0 0 192.258 2.049 10 0 AEAERN OCCCC1(c2ccccc2)CC1 238651027 344817160 /nfs/dbraw/zinc/81/71/60/344817160.db2.gz AMNOXNBRJBBNEB-UHFFFAOYSA-N 0 0 176.259 2.491 10 0 AEAERN FC(F)c1ncncc1Cl 238657247 344817467 /nfs/dbraw/zinc/81/74/67/344817467.db2.gz RMARUISFWZUKPG-UHFFFAOYSA-N 0 0 164.542 2.068 10 0 AEAERN OCC[C@H]1C=CCCCC1 238658650 344817543 /nfs/dbraw/zinc/81/75/43/344817543.db2.gz AVLRANDJYILAQK-VIFPVBQESA-N 0 0 140.226 2.115 10 0 AEAERN OCC[C@@H]1C=CCc2ccccc21 238657677 344817558 /nfs/dbraw/zinc/81/75/58/344817558.db2.gz KVJAWTDYYPOBOE-NSHDSACASA-N 0 0 174.243 2.265 10 0 AEAERN O[C@@H]1CC[C@H]1c1ccccc1F 238665887 344817815 /nfs/dbraw/zinc/81/78/15/344817815.db2.gz RANOJSJLYWJFTB-WCBMZHEXSA-N 0 0 166.195 2.064 10 0 AEAERN OCc1cc(F)c2ccccc2c1 238676287 344818129 /nfs/dbraw/zinc/81/81/29/344818129.db2.gz APBRBZKYQXIASE-UHFFFAOYSA-N 0 0 176.190 2.471 10 0 AEAERN OCC[C@H]1C=CCc2ccccc21 238672105 344818144 /nfs/dbraw/zinc/81/81/44/344818144.db2.gz KVJAWTDYYPOBOE-LLVKDONJSA-N 0 0 174.243 2.265 10 0 AEAERN N[C@H](CF)c1c(F)ccc(F)c1F 238683423 344818582 /nfs/dbraw/zinc/81/85/82/344818582.db2.gz YNZULEGNXGZAFE-ZCFIWIBFSA-N 0 0 193.143 2.073 10 0 AEAERN O=Cc1c[nH]cc1-c1ccccc1 238677402 344818682 /nfs/dbraw/zinc/81/86/82/344818682.db2.gz LDNGGCQFMULTGJ-UHFFFAOYSA-N 0 0 171.199 2.494 10 0 AEAERN [NH3+][C@H](CF)c1ccc2[nH]ccc2c1 238685832 344818915 /nfs/dbraw/zinc/81/89/15/344818915.db2.gz UCVLUCMSORVUEO-SECBINFHSA-N 0 0 178.210 2.137 10 0 AEAERN [NH3+][C@H](CF)c1cc(F)cc(F)c1F 238684151 344818947 /nfs/dbraw/zinc/81/89/47/344818947.db2.gz KPPAPFDUHIUWOT-SSDOTTSWSA-N 0 0 193.143 2.073 10 0 AEAERN Nc1cc(F)cnc1OC1CCCC1 238687992 344819330 /nfs/dbraw/zinc/81/93/30/344819330.db2.gz HAPUOYULBUSNEQ-UHFFFAOYSA-N 0 0 196.225 2.124 10 0 AEAERN FCc1cccnc1OC(F)(F)F 238693472 344819346 /nfs/dbraw/zinc/81/93/46/344819346.db2.gz PDMHALOMIHVQSX-UHFFFAOYSA-N 0 0 195.115 2.450 10 0 AEAERN FCc1ccc(OC(F)(F)F)cn1 238693184 344819411 /nfs/dbraw/zinc/81/94/11/344819411.db2.gz XQYQPLUQLUZVCZ-UHFFFAOYSA-N 0 0 195.115 2.450 10 0 AEAERN FCc1cc(OC(F)(F)F)ccn1 238691463 344819424 /nfs/dbraw/zinc/81/94/24/344819424.db2.gz NKODTOJIHFTHPH-UHFFFAOYSA-N 0 0 195.115 2.450 10 0 AEAERN FCc1ccc(OC(F)(F)F)nc1 238693207 344819443 /nfs/dbraw/zinc/81/94/43/344819443.db2.gz PGRUHTWYFDTUQW-UHFFFAOYSA-N 0 0 195.115 2.450 10 0 AEAERN O=Cc1ccc(-c2cncs2)o1 238691791 344819467 /nfs/dbraw/zinc/81/94/67/344819467.db2.gz IEVZNEGEPJGCMB-UHFFFAOYSA-N 0 0 179.200 2.216 10 0 AEAERN O[C@H]1CC[C@@H]1c1ccccc1F 238695592 344819549 /nfs/dbraw/zinc/81/95/49/344819549.db2.gz RANOJSJLYWJFTB-SCZZXKLOSA-N 0 0 166.195 2.064 10 0 AEAERN FCc1cnccc1OC(F)(F)F 238695827 344819563 /nfs/dbraw/zinc/81/95/63/344819563.db2.gz HSJDELOGDKQUKQ-UHFFFAOYSA-N 0 0 195.115 2.450 10 0 AEAERN Oc1cc(F)c(OC(F)F)cc1F 238697675 344819607 /nfs/dbraw/zinc/81/96/07/344819607.db2.gz OGAIVXIBQYCYJH-UHFFFAOYSA-N 0 0 196.099 2.272 10 0 AEAERN O=Cc1cccc(O[C@H]2CCCO2)c1 238693615 344819651 /nfs/dbraw/zinc/81/96/51/344819651.db2.gz SVGLGWZAUJTTII-NSHDSACASA-N 0 0 192.214 2.014 10 0 AEAERN FCc1cncc(OC(F)(F)F)c1 238695653 344819676 /nfs/dbraw/zinc/81/96/76/344819676.db2.gz LJJXRYMIYQOBBB-UHFFFAOYSA-N 0 0 195.115 2.450 10 0 AEAERN O=Cc1cccc(O[C@@H]2CCCO2)c1 238693588 344819701 /nfs/dbraw/zinc/81/97/01/344819701.db2.gz SVGLGWZAUJTTII-LLVKDONJSA-N 0 0 192.214 2.014 10 0 AEAERN OCC/C=C/c1cccs1 238695228 344819744 /nfs/dbraw/zinc/81/97/44/344819744.db2.gz UEPFAPNKIGFNDJ-DAFODLJHSA-N 0 0 154.234 2.144 10 0 AEAERN O=Cc1cnc(-c2ccsc2)o1 238695577 344819779 /nfs/dbraw/zinc/81/97/79/344819779.db2.gz KKJGQOZYBBLUBY-UHFFFAOYSA-N 0 0 179.200 2.216 10 0 AEAERN FCc1ccnc(OC(F)(F)F)c1 238693863 344819809 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/nfs/dbraw/zinc/06/66/54/345066654.db2.gz NEXXHOCHLOZFKP-CIUDSAMLSA-N 0 0 183.295 2.193 10 0 AEAERN C[C@@H]1NC(=O)C[C@H]1[C@@H](C)C(C)(C)C 306176131 345066802 /nfs/dbraw/zinc/06/68/02/345066802.db2.gz NEXXHOCHLOZFKP-VGMNWLOBSA-N 0 0 183.295 2.193 10 0 AEAERN COC1(C2=NC(=O)CS2)CCCC1 306176236 345066966 /nfs/dbraw/zinc/06/69/66/345066966.db2.gz JQCVKPGBGOYKKF-UHFFFAOYSA-N 0 0 199.275 2.264 10 0 AEAERN C[C@H](Nc1cn[nH]c1)C1CCC1 306177206 345067579 /nfs/dbraw/zinc/06/75/79/345067579.db2.gz OOPBHXSBHHCFEE-ZETCQYMHSA-N 0 0 165.240 2.010 10 0 AEAERN C[C@H](Nc1cncnc1)C1CCC1 306177158 345067756 /nfs/dbraw/zinc/06/77/56/345067756.db2.gz OHPBBLQGVFHRMU-QMMMGPOBSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@@H](Nc1cn[nH]c1)C1CCC1 306177205 345067861 /nfs/dbraw/zinc/06/78/61/345067861.db2.gz OOPBHXSBHHCFEE-SSDOTTSWSA-N 0 0 165.240 2.010 10 0 AEAERN Brc1cc2c[nH]ccc-2n1 306177549 345068451 /nfs/dbraw/zinc/06/84/51/345068451.db2.gz OFCLQVNMLZZZLX-UHFFFAOYSA-N 0 0 197.035 2.277 10 0 AEAERN CC[C@]1(c2ccco2)CC[C@@H](CO)O1 306178107 345068705 /nfs/dbraw/zinc/06/87/05/345068705.db2.gz GVJNSTJFGSHQOM-GXSJLCMTSA-N 0 0 196.246 2.056 10 0 AEAERN CC(=O)CC(C)(C)c1ccsn1 306178089 345068857 /nfs/dbraw/zinc/06/88/57/345068857.db2.gz GSBLZGDJMNTOSF-UHFFFAOYSA-N 0 0 183.276 2.400 10 0 AEAERN CCC(CC)[C@@H]1COC(C)(C)[C@@H]1O 306178183 345068879 /nfs/dbraw/zinc/06/88/79/345068879.db2.gz HBNHZDFCDVEFQH-VHSXEESVSA-N 0 0 186.295 2.209 10 0 AEAERN CC[C@@]1(c2ccco2)CC[C@@H](CO)O1 306178110 345068885 /nfs/dbraw/zinc/06/88/85/345068885.db2.gz GVJNSTJFGSHQOM-ONGXEEELSA-N 0 0 196.246 2.056 10 0 AEAERN CC[C@]1(c2ccco2)CC[C@H](CO)O1 306178109 345068896 /nfs/dbraw/zinc/06/88/96/345068896.db2.gz GVJNSTJFGSHQOM-MWLCHTKSSA-N 0 0 196.246 2.056 10 0 AEAERN CCC(CC)[C@@H]1COC(C)(C)[C@H]1O 306178181 345068960 /nfs/dbraw/zinc/06/89/60/345068960.db2.gz HBNHZDFCDVEFQH-UWVGGRQHSA-N 0 0 186.295 2.209 10 0 AEAERN CC[C@@]1(c2ccco2)CC[C@H](CO)O1 306178108 345068984 /nfs/dbraw/zinc/06/89/84/345068984.db2.gz 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/nfs/dbraw/zinc/07/00/10/345070010.db2.gz QKIMJCXOOCMPRH-XVKPBYJWSA-N 0 0 198.262 2.299 10 0 AEAERN C[C@H](O)c1ccc(F)cc1OC1CC1 306178747 345070031 /nfs/dbraw/zinc/07/00/31/345070031.db2.gz UFBTVUYJQPABJX-ZETCQYMHSA-N 0 0 196.221 2.420 10 0 AEAERN Cc1cc(-c2ccc(N)cn2)sn1 306178995 345070173 /nfs/dbraw/zinc/07/01/73/345070173.db2.gz ICJMZQJQIQABGP-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN OC[C@H]1C[C@@H]1Sc1ccc(F)cc1 306179020 345070190 /nfs/dbraw/zinc/07/01/90/345070190.db2.gz QKIMJCXOOCMPRH-XCBNKYQSSA-N 0 0 198.262 2.299 10 0 AEAERN OC[C@@H]1C[C@H]1Sc1ccc(F)cc1 306179019 345070204 /nfs/dbraw/zinc/07/02/04/345070204.db2.gz QKIMJCXOOCMPRH-OIBJUYFYSA-N 0 0 198.262 2.299 10 0 AEAERN OC[C@H]1C[C@H]1Sc1ccc(F)cc1 306179018 345070365 /nfs/dbraw/zinc/07/03/65/345070365.db2.gz QKIMJCXOOCMPRH-GMSGAONNSA-N 0 0 198.262 2.299 10 0 AEAERN CC(C)(C)CNC(=O)[C@@H]1CC1(C)C 306179288 345070599 /nfs/dbraw/zinc/07/05/99/345070599.db2.gz FABZAHVCCNNSLC-QMMMGPOBSA-N 0 0 183.295 2.195 10 0 AEAERN Cc1ccnc(-c2ccsn2)c1N 306180074 345071609 /nfs/dbraw/zinc/07/16/09/345071609.db2.gz WWQILCUTIVETNJ-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN C[C@@H]1C[C@H]1Nc1nnc(C2CC2)s1 306180361 345071953 /nfs/dbraw/zinc/07/19/53/345071953.db2.gz RODMUDWVCIBOFR-IYSWYEEDSA-N 0 0 195.291 2.236 10 0 AEAERN CCNc1ccc2c(c1)C(=O)CCO2 306181216 345072367 /nfs/dbraw/zinc/07/23/67/345072367.db2.gz TXNDFJHBGZSWMA-UHFFFAOYSA-N 0 0 191.230 2.084 10 0 AEAERN Cc1cc([C@H](O)c2cscn2)co1 306182033 345072869 /nfs/dbraw/zinc/07/28/69/345072869.db2.gz WEXTXNCESNFQPE-VIFPVBQESA-N 0 0 195.243 2.126 10 0 AEAERN Cc1cc([C@@H](O)c2cscn2)co1 306182032 345072893 /nfs/dbraw/zinc/07/28/93/345072893.db2.gz WEXTXNCESNFQPE-SECBINFHSA-N 0 0 195.243 2.126 10 0 AEAERN O=c1cc(Cl)[nH]c(N2CCCC2)c1 306181999 345073042 /nfs/dbraw/zinc/07/30/42/345073042.db2.gz WBCDYSPXXQSJNR-UHFFFAOYSA-N 0 0 198.653 2.041 10 0 AEAERN C(=C[C@@H]1CCCS1)c1cc[nH]n1 306182597 345073357 /nfs/dbraw/zinc/07/33/57/345073357.db2.gz XAEOYDIWAUTMMS-NWALNABHSA-N 0 0 180.276 2.319 10 0 AEAERN C(=C[C@H]1CCCS1)c1cc[nH]n1 306182596 345073372 /nfs/dbraw/zinc/07/33/72/345073372.db2.gz XAEOYDIWAUTMMS-CDAZIORVSA-N 0 0 180.276 2.319 10 0 AEAERN CCCCNc1nc(C)nc(C)c1F 306182864 345073980 /nfs/dbraw/zinc/07/39/80/345073980.db2.gz AJGSQUNTDOMGIN-UHFFFAOYSA-N 0 0 197.257 2.445 10 0 AEAERN CCCC(=O)N[C@@H]1[C@@H](C)CC[C@H]1C 306184101 345075220 /nfs/dbraw/zinc/07/52/20/345075220.db2.gz AYBRHDRXHGSEBL-JZYVYDRUSA-N 0 0 183.295 2.337 10 0 AEAERN CCCC(=O)NC1[C@@H](C)CC[C@@H]1C 306184098 345075247 /nfs/dbraw/zinc/07/52/47/345075247.db2.gz AYBRHDRXHGSEBL-IUCAKERBSA-N 0 0 183.295 2.337 10 0 AEAERN C[C@H]1CC[C@H]1NC(=O)C1=CCCC1 306183967 345075256 /nfs/dbraw/zinc/07/52/56/345075256.db2.gz LCEFXSWTGKJZPG-WCBMZHEXSA-N 0 0 179.263 2.011 10 0 AEAERN C[C@H](Nc1ncns1)c1ccc[nH]1 306185452 345075677 /nfs/dbraw/zinc/07/56/77/345075677.db2.gz AHVMJIFWOYIIBT-LURJTMIESA-N 0 0 194.263 2.039 10 0 AEAERN O=Cc1ccc(N2CCC2)cc1Cl 306184803 345075757 /nfs/dbraw/zinc/07/57/57/345075757.db2.gz 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/nfs/dbraw/zinc/07/92/09/345079209.db2.gz HBNBBCKYKMZNMQ-UHFFFAOYSA-N 0 0 197.209 2.021 10 0 AEAERN Brc1cncc2cc[nH]c12 306196799 345086331 /nfs/dbraw/zinc/08/63/31/345086331.db2.gz NOOGTUMMCHXUFU-UHFFFAOYSA-N 0 0 197.035 2.277 10 0 AEAERN CC[C@H](O)c1ccc(OC)s1 306189539 345079318 /nfs/dbraw/zinc/07/93/18/345079318.db2.gz DDDLYLFPMJAAPW-LURJTMIESA-N 0 0 172.249 2.200 10 0 AEAERN CCc1nc(C)cc(SC)n1 306189079 345079502 /nfs/dbraw/zinc/07/95/02/345079502.db2.gz DCFIZPFMNKGLSC-UHFFFAOYSA-N 0 0 168.265 2.069 10 0 AEAERN O=C(OC1CCC1)C1CC(F)(F)C1 306189622 345079592 /nfs/dbraw/zinc/07/95/92/345079592.db2.gz DPDWEGUJGRVVLA-UHFFFAOYSA-N 0 0 190.189 2.127 10 0 AEAERN COCSc1ccc(C)cn1 306189574 345079790 /nfs/dbraw/zinc/07/97/90/345079790.db2.gz DHOUISMACQZLLH-UHFFFAOYSA-N 0 0 169.249 2.086 10 0 AEAERN CC(C)C(=O)[C@H]1CCOC1(C)C 306190183 345079952 /nfs/dbraw/zinc/07/99/52/345079952.db2.gz DUWSLSQOZICQGR-MRVPVSSYSA-N 0 0 170.252 2.027 10 0 AEAERN CC(C)C(=O)[C@@H]1CCOC1(C)C 306190184 345080277 /nfs/dbraw/zinc/08/02/77/345080277.db2.gz DUWSLSQOZICQGR-QMMMGPOBSA-N 0 0 170.252 2.027 10 0 AEAERN Cc1sccc1C(=O)c1cn[nH]c1 306191410 345081320 /nfs/dbraw/zinc/08/13/20/345081320.db2.gz ODSDRUIUCLUKKG-UHFFFAOYSA-N 0 0 192.243 2.011 10 0 AEAERN Cc1cc(N2CCC2)ccc1C=O 306191241 345081497 /nfs/dbraw/zinc/08/14/97/345081497.db2.gz FWRASANHVTUKQV-UHFFFAOYSA-N 0 0 175.231 2.018 10 0 AEAERN Nc1cccc(F)c1NCC(F)F 306192046 345082034 /nfs/dbraw/zinc/08/20/34/345082034.db2.gz ZAUDEOFFNGXANH-UHFFFAOYSA-N 0 0 190.168 2.085 10 0 AEAERN CC1(C)CC[C@@H]1Nc1nncs1 306192376 345082389 /nfs/dbraw/zinc/08/23/89/345082389.db2.gz ZTRNKGGRAJAHDG-LURJTMIESA-N 0 0 183.280 2.139 10 0 AEAERN CC1(C)CC[C@H]1Nc1nncs1 306192377 345082549 /nfs/dbraw/zinc/08/25/49/345082549.db2.gz ZTRNKGGRAJAHDG-ZCFIWIBFSA-N 0 0 183.280 2.139 10 0 AEAERN C[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 306193210 345082897 /nfs/dbraw/zinc/08/28/97/345082897.db2.gz SWINWQICMGTWQY-JGVFFNPUSA-N 0 0 185.267 2.310 10 0 AEAERN C[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 306193212 345082999 /nfs/dbraw/zinc/08/29/99/345082999.db2.gz SWINWQICMGTWQY-SFYZADRCSA-N 0 0 185.267 2.310 10 0 AEAERN Nc1ccc(CN2CCC2)c(Cl)c1 306193592 345083513 /nfs/dbraw/zinc/08/35/13/345083513.db2.gz FGCWGXURLLLWIQ-UHFFFAOYSA-N 0 0 196.681 2.128 10 0 AEAERN C[C@H]1C[C@@H](NO)c2ccccc21 306193446 345083536 /nfs/dbraw/zinc/08/35/36/345083536.db2.gz LDGVWBAFIKRVFJ-OIBJUYFYSA-N 0 0 163.220 2.214 10 0 AEAERN C[C@@H]1C[C@H](NO)c2ccccc21 306193447 345083539 /nfs/dbraw/zinc/08/35/39/345083539.db2.gz LDGVWBAFIKRVFJ-XCBNKYQSSA-N 0 0 163.220 2.214 10 0 AEAERN Cc1cccc(NCCCF)c1N 306194131 345083895 /nfs/dbraw/zinc/08/38/95/345083895.db2.gz LUOXYJQMJWUGLZ-UHFFFAOYSA-N 0 0 182.242 2.349 10 0 AEAERN CNc1ccc(C(F)F)cn1 306194292 345083943 /nfs/dbraw/zinc/08/39/43/345083943.db2.gz FOTOPQNIBVJZME-UHFFFAOYSA-N 0 0 158.151 2.061 10 0 AEAERN CC(C)[C@H]([NH3+])C1(C(=O)[O-])CCCCC1 306194506 345084002 /nfs/dbraw/zinc/08/40/02/345084002.db2.gz WHOPRMLKFVEXNS-VIFPVBQESA-N 0 0 199.294 2.005 10 0 AEAERN CC[C@@H](O)C1(SC)CCC1 306194561 345084017 /nfs/dbraw/zinc/08/40/17/345084017.db2.gz WZPSOSJFAFBACI-SSDOTTSWSA-N 0 0 160.282 2.043 10 0 AEAERN CC[C@H](O)C1(SC)CCC1 306194563 345084058 /nfs/dbraw/zinc/08/40/58/345084058.db2.gz WZPSOSJFAFBACI-ZETCQYMHSA-N 0 0 160.282 2.043 10 0 AEAERN CC(C)[C@@H]([NH3+])C1(C(=O)[O-])CCCCC1 306194505 345084069 /nfs/dbraw/zinc/08/40/69/345084069.db2.gz WHOPRMLKFVEXNS-SECBINFHSA-N 0 0 199.294 2.005 10 0 AEAERN C[C@@H]1c2ccccc2[C@@H]2CC(=O)[C@H]12 306194912 345084409 /nfs/dbraw/zinc/08/44/09/345084409.db2.gz HDZDDKCTSSAQQN-INNHCVQGSA-N 0 0 172.227 2.476 10 0 AEAERN C[C@@H]1c2ccccc2[C@@H]2CC(=O)[C@@H]12 306194914 345084511 /nfs/dbraw/zinc/08/45/11/345084511.db2.gz HDZDDKCTSSAQQN-VHRDEZTHSA-N 0 0 172.227 2.476 10 0 AEAERN C[C@@H]1c2ccccc2[C@H]2CC(=O)[C@H]12 306194913 345084581 /nfs/dbraw/zinc/08/45/81/345084581.db2.gz HDZDDKCTSSAQQN-NYRNMGCKSA-N 0 0 172.227 2.476 10 0 AEAERN C[C@@H]1c2ccccc2[C@H]2CC(=O)[C@@H]12 306194915 345084697 /nfs/dbraw/zinc/08/46/97/345084697.db2.gz HDZDDKCTSSAQQN-XXFPWJFMSA-N 0 0 172.227 2.476 10 0 AEAERN FC(F)SC1=NCCS1 306195133 345084732 /nfs/dbraw/zinc/08/47/32/345084732.db2.gz NRUXLCUKGVFJMX-UHFFFAOYSA-N 0 0 169.221 2.045 10 0 AEAERN CCNc1cc(OC)c(N)cc1C 306195522 345085013 /nfs/dbraw/zinc/08/50/13/345085013.db2.gz ZRULXFCDKDNTFD-UHFFFAOYSA-N 0 0 180.251 2.018 10 0 AEAERN CC1(C)OCc2sc(=S)[nH]c21 306195726 345085170 /nfs/dbraw/zinc/08/51/70/345085170.db2.gz JKJMJPIFMXAGRA-UHFFFAOYSA-N 0 0 187.289 2.197 10 0 AEAERN C[C@H]1CC[C@H]1n1ncc(Cl)c1N 306195697 345085339 /nfs/dbraw/zinc/08/53/39/345085339.db2.gz VKKHPWIHIXFASY-CAHLUQPWSA-N 0 0 185.658 2.090 10 0 AEAERN CC(C)N1CCC[C@@H]1C(F)F 306219866 345112490 /nfs/dbraw/zinc/11/24/90/345112490.db2.gz NFVNJAFEVCJPNH-SSDOTTSWSA-N 0 0 163.211 2.124 10 0 AEAERN C[C@@H]1CC[C@H]1n1ncc(Cl)c1N 306196122 345085618 /nfs/dbraw/zinc/08/56/18/345085618.db2.gz VKKHPWIHIXFASY-IYSWYEEDSA-N 0 0 185.658 2.090 10 0 AEAERN C[C@@H]1CC[C@@H]1n1ncc(Cl)c1N 306196125 345085623 /nfs/dbraw/zinc/08/56/23/345085623.db2.gz VKKHPWIHIXFASY-VDTYLAMSSA-N 0 0 185.658 2.090 10 0 AEAERN C[C@H]1CC[C@@H]1n1ncc(Cl)c1N 306196118 345085625 /nfs/dbraw/zinc/08/56/25/345085625.db2.gz VKKHPWIHIXFASY-FSPLSTOPSA-N 0 0 185.658 2.090 10 0 AEAERN CCC[C@@]1(C2CC2)CC(=O)NC1(C)C 306196389 345085644 /nfs/dbraw/zinc/08/56/44/345085644.db2.gz QDWJBGAJXSWGEG-LBPRGKRZSA-N 0 0 195.306 2.481 10 0 AEAERN CC1(C)OCC[C@H]1Nc1nccs1 306196095 345085727 /nfs/dbraw/zinc/08/57/27/345085727.db2.gz MKFMVGXBAUDWBB-SSDOTTSWSA-N 0 0 198.291 2.123 10 0 AEAERN CCC[C@]1(C2CC2)CC(=O)NC1(C)C 306196388 345085764 /nfs/dbraw/zinc/08/57/64/345085764.db2.gz QDWJBGAJXSWGEG-GFCCVEGCSA-N 0 0 195.306 2.481 10 0 AEAERN CC1(C)OCC[C@@H]1Nc1nccs1 306196097 345085776 /nfs/dbraw/zinc/08/57/76/345085776.db2.gz MKFMVGXBAUDWBB-ZETCQYMHSA-N 0 0 198.291 2.123 10 0 AEAERN C[C@H]1C[C@H](C)N1C(=O)CC(C)(C)C 306196636 345086256 /nfs/dbraw/zinc/08/62/56/345086256.db2.gz WBZCRDANDBUABF-IUCAKERBSA-N 0 0 183.295 2.432 10 0 AEAERN Cc1ccc(F)c([C@H](C)NO)c1 306197879 345086819 /nfs/dbraw/zinc/08/68/19/345086819.db2.gz YARHGWVKZZLJHB-ZETCQYMHSA-N 0 0 169.199 2.174 10 0 AEAERN Cc1ccc(F)c([C@@H](C)NO)c1 306197878 345086951 /nfs/dbraw/zinc/08/69/51/345086951.db2.gz YARHGWVKZZLJHB-SSDOTTSWSA-N 0 0 169.199 2.174 10 0 AEAERN CC1(NC(=O)[C@@H]2CC2(C)C)CCC1 306199095 345087826 /nfs/dbraw/zinc/08/78/26/345087826.db2.gz ZFWZYELBXRENIH-QMMMGPOBSA-N 0 0 181.279 2.091 10 0 AEAERN CN[C@]1(C(F)F)CCC1(C)C 306199223 345088146 /nfs/dbraw/zinc/08/81/46/345088146.db2.gz RVWIESFADKARLT-QMMMGPOBSA-N 0 0 163.211 2.030 10 0 AEAERN CN[C@@]1(C(F)F)CCC1(C)C 306199222 345088183 /nfs/dbraw/zinc/08/81/83/345088183.db2.gz RVWIESFADKARLT-MRVPVSSYSA-N 0 0 163.211 2.030 10 0 AEAERN CC[C@]1(C)C(=O)N[C@H]1C1CCCCC1 306199802 345088420 /nfs/dbraw/zinc/08/84/20/345088420.db2.gz JCIFYHHHPCBGDM-JQWIXIFHSA-N 0 0 195.306 2.481 10 0 AEAERN CC[C@@]1(C)C(=O)N[C@@H]1C1CCCCC1 306199822 345088619 /nfs/dbraw/zinc/08/86/19/345088619.db2.gz JCIFYHHHPCBGDM-ZYHUDNBSSA-N 0 0 195.306 2.481 10 0 AEAERN CC[C@@]1(C)C(=O)N[C@H]1C1CCCCC1 306199793 345088748 /nfs/dbraw/zinc/08/87/48/345088748.db2.gz JCIFYHHHPCBGDM-CMPLNLGQSA-N 0 0 195.306 2.481 10 0 AEAERN CCC1(CC)C(=O)N[C@H]1C1CCCC1 306200076 345088758 /nfs/dbraw/zinc/08/87/58/345088758.db2.gz JHLKGJCSVGWDEZ-JTQLQIEISA-N 0 0 195.306 2.481 10 0 AEAERN CCC1(C)CCC(NC(C)=O)CC1 306199943 345088765 /nfs/dbraw/zinc/08/87/65/345088765.db2.gz SHHWWIZKNXZCSK-UHFFFAOYSA-N 0 0 183.295 2.481 10 0 AEAERN CC[C@]1(C)C(=O)N[C@@H]1C1CCCCC1 306199810 345088770 /nfs/dbraw/zinc/08/87/70/345088770.db2.gz JCIFYHHHPCBGDM-PWSUYJOCSA-N 0 0 195.306 2.481 10 0 AEAERN CCC1(CC)C(=O)N[C@@H]1C1CCCC1 306200077 345088867 /nfs/dbraw/zinc/08/88/67/345088867.db2.gz JHLKGJCSVGWDEZ-SNVBAGLBSA-N 0 0 195.306 2.481 10 0 AEAERN CC(F)(F)[C@@H](O)CC1CCC1 306201043 345089693 /nfs/dbraw/zinc/08/96/93/345089693.db2.gz UPFZPINXILZTAS-ZETCQYMHSA-N 0 0 164.195 2.193 10 0 AEAERN Cc1c[nH]c(C(=O)C(F)(F)F)c1C 306201167 345089797 /nfs/dbraw/zinc/08/97/97/345089797.db2.gz JGBJBSJNUZJIFP-UHFFFAOYSA-N 0 0 191.152 2.377 10 0 AEAERN CC(F)(F)[C@H](O)CC1CCC1 306201040 345090016 /nfs/dbraw/zinc/09/00/16/345090016.db2.gz UPFZPINXILZTAS-SSDOTTSWSA-N 0 0 164.195 2.193 10 0 AEAERN Nc1cncc(C2=CCCC2)c1 306201138 345090031 /nfs/dbraw/zinc/09/00/31/345090031.db2.gz JEZNBOYVFLHXPL-UHFFFAOYSA-N 0 0 160.220 2.231 10 0 AEAERN CCC(=O)c1cc(C)ns1 306201108 345090065 /nfs/dbraw/zinc/09/00/65/345090065.db2.gz KIXFEBDESGVJFQ-UHFFFAOYSA-N 0 0 155.222 2.044 10 0 AEAERN CC(C)[C@@H](C)C1CC(=O)CC(=O)C1 306202305 345091191 /nfs/dbraw/zinc/09/11/91/345091191.db2.gz LQUNZLQKFYZVMD-MRVPVSSYSA-N 0 0 182.263 2.217 10 0 AEAERN Cc1cc([C@]2(C)CCC(=O)C2)sn1 306202123 345091173 /nfs/dbraw/zinc/09/11/73/345091173.db2.gz LKDUIVXFXXNYQX-SNVBAGLBSA-N 0 0 195.287 2.462 10 0 AEAERN Cc1cnnc(N[C@@H]2CCC2(C)C)c1 306202072 345091185 /nfs/dbraw/zinc/09/11/85/345091185.db2.gz LFFMQYDNYCBTGD-SECBINFHSA-N 0 0 191.278 2.386 10 0 AEAERN Cc1cc(F)c(F)c2c1OCCC2=O 306202495 345091794 /nfs/dbraw/zinc/09/17/94/345091794.db2.gz WHNIPYIPLPIXRJ-UHFFFAOYSA-N 0 0 198.168 2.238 10 0 AEAERN Cc1cc([C@H](O)C2CCC2)sn1 306202741 345091881 /nfs/dbraw/zinc/09/18/81/345091881.db2.gz LPXUPXKGUTWYGW-SECBINFHSA-N 0 0 183.276 2.285 10 0 AEAERN Cc1cc([C@@H](O)C2CCC2)sn1 306202742 345091984 /nfs/dbraw/zinc/09/19/84/345091984.db2.gz LPXUPXKGUTWYGW-VIFPVBQESA-N 0 0 183.276 2.285 10 0 AEAERN C[C@@]1(CNc2cn[nH]c2)CCCS1 306203096 345092474 /nfs/dbraw/zinc/09/24/74/345092474.db2.gz NLAGLHUMDRVSBF-VIFPVBQESA-N 0 0 197.307 2.107 10 0 AEAERN C[C@]1(CNc2cn[nH]c2)CCCS1 306203095 345092656 /nfs/dbraw/zinc/09/26/56/345092656.db2.gz NLAGLHUMDRVSBF-SECBINFHSA-N 0 0 197.307 2.107 10 0 AEAERN CC1(c2nc3c(N)cccc3o2)CC1 306204325 345093281 /nfs/dbraw/zinc/09/32/81/345093281.db2.gz NLMQPNZAVZEUFW-UHFFFAOYSA-N 0 0 188.230 2.462 10 0 AEAERN CN(C)c1ccnc(C(F)(F)F)c1 306203873 345093386 /nfs/dbraw/zinc/09/33/86/345093386.db2.gz PBGNLJCYFXOBRO-UHFFFAOYSA-N 0 0 190.168 2.166 10 0 AEAERN C[C@@](O)(CC1CC1)c1ccsn1 306204767 345093544 /nfs/dbraw/zinc/09/35/44/345093544.db2.gz NWDFHMWFPMYMRK-SECBINFHSA-N 0 0 183.276 2.151 10 0 AEAERN C[C@](O)(CC1CC1)c1ccsn1 306204768 345093762 /nfs/dbraw/zinc/09/37/62/345093762.db2.gz NWDFHMWFPMYMRK-VIFPVBQESA-N 0 0 183.276 2.151 10 0 AEAERN Cc1cc(N(C)C2CC2)c(F)cc1N 306204761 345093814 /nfs/dbraw/zinc/09/38/14/345093814.db2.gz NVFWDCJVHGAKII-UHFFFAOYSA-N 0 0 194.253 2.315 10 0 AEAERN O[C@H]1CCCC[C@@H](c2ccc[nH]2)C1 306205235 345094374 /nfs/dbraw/zinc/09/43/74/345094374.db2.gz VSGHDQGDDKKUBH-ZJUUUORDSA-N 0 0 179.263 2.423 10 0 AEAERN O[C@H]1CCCC[C@H](c2ccc[nH]2)C1 306205233 345094376 /nfs/dbraw/zinc/09/43/76/345094376.db2.gz VSGHDQGDDKKUBH-UWVGGRQHSA-N 0 0 179.263 2.423 10 0 AEAERN O=C(CC1CC1)c1ccsn1 306205317 345094407 /nfs/dbraw/zinc/09/44/07/345094407.db2.gz OPCBLSWPGIDKGW-UHFFFAOYSA-N 0 0 167.233 2.126 10 0 AEAERN Cc1ccncc1[C@H](N)C(C)(F)F 306205063 345094446 /nfs/dbraw/zinc/09/44/46/345094446.db2.gz FPTVJIANUQIWBY-QMMMGPOBSA-N 0 0 186.205 2.045 10 0 AEAERN CC[C@@H](NO)c1cccc(F)c1F 306205133 345094470 /nfs/dbraw/zinc/09/44/70/345094470.db2.gz FUOGWKQCUMBEEW-MRVPVSSYSA-N 0 0 187.189 2.395 10 0 AEAERN Cc1ccncc1[C@@H](N)C(C)(F)F 306205059 345094575 /nfs/dbraw/zinc/09/45/75/345094575.db2.gz FPTVJIANUQIWBY-MRVPVSSYSA-N 0 0 186.205 2.045 10 0 AEAERN O[C@@H]1CCCC[C@H](c2ccc[nH]2)C1 306205234 345094583 /nfs/dbraw/zinc/09/45/83/345094583.db2.gz VSGHDQGDDKKUBH-VHSXEESVSA-N 0 0 179.263 2.423 10 0 AEAERN O[C@@H]1CCCC[C@@H](c2ccc[nH]2)C1 306205232 345094679 /nfs/dbraw/zinc/09/46/79/345094679.db2.gz VSGHDQGDDKKUBH-NXEZZACHSA-N 0 0 179.263 2.423 10 0 AEAERN N[C@]1(C(F)(F)F)CCC[C@@H]2C[C@@H]21 306206483 345095628 /nfs/dbraw/zinc/09/56/28/345095628.db2.gz IAJRFZXLQDLOFY-DSYKOEDSSA-N 0 0 179.185 2.066 10 0 AEAERN CC(F)(F)[C@@H](O)C1CCCC1 306206619 345095659 /nfs/dbraw/zinc/09/56/59/345095659.db2.gz QAMHTDHNEPPDGM-ZETCQYMHSA-N 0 0 164.195 2.193 10 0 AEAERN CC[C@@H](O)c1cc(C)cc(C)n1 306206533 345095889 /nfs/dbraw/zinc/09/58/89/345095889.db2.gz IKGZSTAUHSZEOF-SNVBAGLBSA-N 0 0 165.236 2.142 10 0 AEAERN CC(F)(F)[C@H](O)C1CCCC1 306206618 345095925 /nfs/dbraw/zinc/09/59/25/345095925.db2.gz QAMHTDHNEPPDGM-SSDOTTSWSA-N 0 0 164.195 2.193 10 0 AEAERN N[C@]1(C(F)(F)F)CCC[C@H]2C[C@H]21 306206486 345095944 /nfs/dbraw/zinc/09/59/44/345095944.db2.gz IAJRFZXLQDLOFY-RRKCRQDMSA-N 0 0 179.185 2.066 10 0 AEAERN O[C@H](c1ccc[nH]1)c1sccc1F 306207152 345096378 /nfs/dbraw/zinc/09/63/78/345096378.db2.gz XZWBXYVEJZCIHB-MRVPVSSYSA-N 0 0 197.234 2.297 10 0 AEAERN CCN(C)c1cc(Cl)cc(CO)c1 306206844 345096441 /nfs/dbraw/zinc/09/64/41/345096441.db2.gz CMBKNZYCVQYFLD-UHFFFAOYSA-N 0 0 199.681 2.288 10 0 AEAERN O[C@@H](c1ccc[nH]1)c1sccc1F 306207157 345096511 /nfs/dbraw/zinc/09/65/11/345096511.db2.gz XZWBXYVEJZCIHB-QMMMGPOBSA-N 0 0 197.234 2.297 10 0 AEAERN C[C@H](O)c1ccc(N2CC=CC2)cc1 306207590 345096939 /nfs/dbraw/zinc/09/69/39/345096939.db2.gz CVJQZQHYPDGXAM-JTQLQIEISA-N 0 0 189.258 2.116 10 0 AEAERN Cn1ccnc1-c1ccnc(Cl)c1 306208050 345097139 /nfs/dbraw/zinc/09/71/39/345097139.db2.gz AMMLANGSUUWDOD-UHFFFAOYSA-N 0 0 193.637 2.136 10 0 AEAERN OC(c1ccsn1)(C1CC1)C1CC1 306207872 345097156 /nfs/dbraw/zinc/09/71/56/345097156.db2.gz RENPQEYKIGOILH-UHFFFAOYSA-N 0 0 195.287 2.151 10 0 AEAERN CNC(=O)c1ccc(C)cc1SC 306208315 345097521 /nfs/dbraw/zinc/09/75/21/345097521.db2.gz FITRISSRXQALPK-UHFFFAOYSA-N 0 0 195.287 2.077 10 0 AEAERN Cc1cc(CNc2c[nH]cn2)c(C)o1 306208156 345097904 /nfs/dbraw/zinc/09/79/04/345097904.db2.gz FGGMZBDYGCNKAG-UHFFFAOYSA-N 0 0 191.234 2.232 10 0 AEAERN CCC1(CC)C(=O)N[C@H]1c1ccoc1 306208548 345098207 /nfs/dbraw/zinc/09/82/07/345098207.db2.gz RSGBGAGMCILBRK-VIFPVBQESA-N 0 0 193.246 2.257 10 0 AEAERN CCC(=O)Nc1sc(C)nc1C 306208742 345098277 /nfs/dbraw/zinc/09/82/77/345098277.db2.gz MDHPOKRUANEVFV-UHFFFAOYSA-N 0 0 184.264 2.108 10 0 AEAERN CCC1(CC)C(=O)N[C@@H]1c1ccoc1 306208546 345098467 /nfs/dbraw/zinc/09/84/67/345098467.db2.gz RSGBGAGMCILBRK-SECBINFHSA-N 0 0 193.246 2.257 10 0 AEAERN CC1(CC(=O)N[C@@H]2CC2(C)C)CC1 306209195 345098775 /nfs/dbraw/zinc/09/87/75/345098775.db2.gz BHWUCSXDGAXFBG-MRVPVSSYSA-N 0 0 181.279 2.091 10 0 AEAERN CC(C)CC(=O)C(C)(F)F 306210961 345100653 /nfs/dbraw/zinc/10/06/53/345100653.db2.gz UIICESGRQPOXCQ-UHFFFAOYSA-N 0 0 150.168 2.257 10 0 AEAERN CCC1(c2nnc(C(F)F)o2)CC1 306210919 345100656 /nfs/dbraw/zinc/10/06/56/345100656.db2.gz GVYVEIYLUCSHPA-UHFFFAOYSA-N 0 0 188.177 2.449 10 0 AEAERN FC1(CCNc2cccnn2)CCC1 306212239 345101945 /nfs/dbraw/zinc/10/19/45/345101945.db2.gz KJYOQXBSFOTBGM-UHFFFAOYSA-N 0 0 195.241 2.171 10 0 AEAERN Cc1csc(CN2C[C@@H](C)[C@@H]2C)n1 306213344 345103339 /nfs/dbraw/zinc/10/33/39/345103339.db2.gz ZJPLRCKOOAZGOU-APPZFPTMSA-N 0 0 196.319 2.292 10 0 AEAERN C[C@@H]([C@H](O)c1ccc[nH]1)C(C)(F)F 306213126 345103080 /nfs/dbraw/zinc/10/30/80/345103080.db2.gz WSLWCFTZOGBLSX-XPUUQOCRSA-N 0 0 189.205 2.339 10 0 AEAERN Cc1csc(CN2C[C@H](C)[C@H]2C)n1 306213348 345103091 /nfs/dbraw/zinc/10/30/91/345103091.db2.gz ZJPLRCKOOAZGOU-IONNQARKSA-N 0 0 196.319 2.292 10 0 AEAERN C[C@@H]([C@@H](O)c1ccc[nH]1)C(C)(F)F 306213124 345103115 /nfs/dbraw/zinc/10/31/15/345103115.db2.gz WSLWCFTZOGBLSX-POYBYMJQSA-N 0 0 189.205 2.339 10 0 AEAERN Cc1csc(CN2C[C@H](C)[C@@H]2C)n1 306213346 345103164 /nfs/dbraw/zinc/10/31/64/345103164.db2.gz ZJPLRCKOOAZGOU-CBAPKCEASA-N 0 0 196.319 2.292 10 0 AEAERN FCCn1c(=S)[nH]c2ccccc21 306213417 345103174 /nfs/dbraw/zinc/10/31/74/345103174.db2.gz ZYMQSTPZILXTKJ-UHFFFAOYSA-N 0 0 196.250 2.295 10 0 AEAERN C[C@H]([C@@H](O)c1ccc[nH]1)C(C)(F)F 306213123 345103187 /nfs/dbraw/zinc/10/31/87/345103187.db2.gz WSLWCFTZOGBLSX-HTRCEHHLSA-N 0 0 189.205 2.339 10 0 AEAERN C[C@H]([C@H](O)c1ccc[nH]1)C(C)(F)F 306213125 345103293 /nfs/dbraw/zinc/10/32/93/345103293.db2.gz WSLWCFTZOGBLSX-SVRRBLITSA-N 0 0 189.205 2.339 10 0 AEAERN Cc1csc(CN2C[C@@H](C)[C@H]2C)n1 306213350 345103437 /nfs/dbraw/zinc/10/34/37/345103437.db2.gz ZJPLRCKOOAZGOU-VXNVDRBHSA-N 0 0 196.319 2.292 10 0 AEAERN CC(F)(F)C[C@H](O)c1ccc[nH]1 306213764 345103789 /nfs/dbraw/zinc/10/37/89/345103789.db2.gz XREGXVFYAJOGFC-ZETCQYMHSA-N 0 0 175.178 2.093 10 0 AEAERN CC(F)(F)C[C@@H](O)c1ccc[nH]1 306213763 345104040 /nfs/dbraw/zinc/10/40/40/345104040.db2.gz XREGXVFYAJOGFC-SSDOTTSWSA-N 0 0 175.178 2.093 10 0 AEAERN CC(C)[C@](C)(O)c1ccsn1 306214065 345104468 /nfs/dbraw/zinc/10/44/68/345104468.db2.gz YAFSSKQHOGTVPM-QMMMGPOBSA-N 0 0 171.265 2.007 10 0 AEAERN CC(C)NC(=O)C1=C(Cl)CCC1 306214007 345104601 /nfs/dbraw/zinc/10/46/01/345104601.db2.gz MNMQJOVDPHSOFQ-UHFFFAOYSA-N 0 0 187.670 2.188 10 0 AEAERN CC(C)[C@@](C)(O)c1ccsn1 306214064 345104753 /nfs/dbraw/zinc/10/47/53/345104753.db2.gz YAFSSKQHOGTVPM-MRVPVSSYSA-N 0 0 171.265 2.007 10 0 AEAERN CC(C)=CC(=O)N(C)[C@H]1CC1(C)C 306214569 345105075 /nfs/dbraw/zinc/10/50/75/345105075.db2.gz ZDJLMYUTQSCEAJ-VIFPVBQESA-N 0 0 181.279 2.210 10 0 AEAERN CC(C)C(=O)c1c(F)ccc(N)c1F 306214415 345105096 /nfs/dbraw/zinc/10/50/96/345105096.db2.gz YTFUBAXAHRMLHN-UHFFFAOYSA-N 0 0 199.200 2.386 10 0 AEAERN CC(C)=CC(=O)N(C)[C@@H]1CC1(C)C 306214568 345105318 /nfs/dbraw/zinc/10/53/18/345105318.db2.gz ZDJLMYUTQSCEAJ-SECBINFHSA-N 0 0 181.279 2.210 10 0 AEAERN Cc1ccoc1CNc1ncns1 306214448 345105414 /nfs/dbraw/zinc/10/54/14/345105414.db2.gz XEJRJDFKRNOHQB-UHFFFAOYSA-N 0 0 195.247 2.052 10 0 AEAERN C[C@@H]1CC[C@H]1Nc1ccc(CO)cc1 306215816 345107006 /nfs/dbraw/zinc/10/70/06/345107006.db2.gz BKGVURQJUONGII-BXKDBHETSA-N 0 0 191.274 2.389 10 0 AEAERN C[C@H]1CC[C@H]1Nc1ccc(CO)cc1 306215818 345107114 /nfs/dbraw/zinc/10/71/14/345107114.db2.gz BKGVURQJUONGII-JOYOIKCWSA-N 0 0 191.274 2.389 10 0 AEAERN CCN(c1ncncc1Cl)C1CC1 306215733 345107202 /nfs/dbraw/zinc/10/72/02/345107202.db2.gz BAAQKOJXDLJLRO-UHFFFAOYSA-N 0 0 197.669 2.119 10 0 AEAERN C[C@@H]1CC[C@@H]1Nc1ccc(CO)cc1 306215819 345107258 /nfs/dbraw/zinc/10/72/58/345107258.db2.gz BKGVURQJUONGII-SKDRFNHKSA-N 0 0 191.274 2.389 10 0 AEAERN C[C@H]1CC[C@@H]1Nc1ccc(CO)cc1 306215817 345107310 /nfs/dbraw/zinc/10/73/10/345107310.db2.gz BKGVURQJUONGII-CABZTGNLSA-N 0 0 191.274 2.389 10 0 AEAERN Cc1cc(NCCC2CC2)nnc1C 306216452 345107679 /nfs/dbraw/zinc/10/76/79/345107679.db2.gz JBDGKBXPGQALGI-UHFFFAOYSA-N 0 0 191.278 2.305 10 0 AEAERN c1n[nH]cc1N[C@@H]1CCC[C@@H]2C[C@@H]21 306216645 345108224 /nfs/dbraw/zinc/10/82/24/345108224.db2.gz PWGDRBQTGCRRTN-FKTZTGRPSA-N 0 0 177.251 2.010 10 0 AEAERN c1n[nH]cc1N[C@@H]1CCC[C@H]2C[C@H]21 306216646 345108387 /nfs/dbraw/zinc/10/83/87/345108387.db2.gz PWGDRBQTGCRRTN-FXBDTBDDSA-N 0 0 177.251 2.010 10 0 AEAERN CC[C@@H](O)c1ccc(C)c(C)n1 306217353 345108751 /nfs/dbraw/zinc/10/87/51/345108751.db2.gz MMLSBZSYRIWGIP-SNVBAGLBSA-N 0 0 165.236 2.142 10 0 AEAERN CC(=O)NCc1ccsc1Cl 306217926 345109421 /nfs/dbraw/zinc/10/94/21/345109421.db2.gz DRNCGRGUNITLNZ-UHFFFAOYSA-N 0 0 189.667 2.038 10 0 AEAERN CC[C@@H](O)c1ccc2c(n1)CCC2 306217607 345109572 /nfs/dbraw/zinc/10/95/72/345109572.db2.gz MURDMDKTMORAFB-LLVKDONJSA-N 0 0 177.247 2.014 10 0 AEAERN Cc1nc(C2(C)CCCC2)ncc1N 306218230 345110076 /nfs/dbraw/zinc/11/00/76/345110076.db2.gz FCLVUXWERQNYNE-UHFFFAOYSA-N 0 0 191.278 2.199 10 0 AEAERN CCC1CCC(c2nc(N)no2)CC1 306218295 345110218 /nfs/dbraw/zinc/11/02/18/345110218.db2.gz FJBZTMOATGVLOR-UHFFFAOYSA-N 0 0 195.266 2.336 10 0 AEAERN Cc1cc([C@@H]2C[C@@H]2CO)cs1 306218685 345110922 /nfs/dbraw/zinc/11/09/22/345110922.db2.gz FYQPWGTWERYEMI-VXNVDRBHSA-N 0 0 168.261 2.152 10 0 AEAERN Cc1nc(C)c(F)c(N[C@@H]2C[C@H]2C)n1 306218585 345110811 /nfs/dbraw/zinc/11/08/11/345110811.db2.gz FPUKOZNHZRGUDH-SVGQVSJJSA-N 0 0 195.241 2.053 10 0 AEAERN Cc1cc([C@H]2C[C@H]2CO)cs1 306218681 345110915 /nfs/dbraw/zinc/11/09/15/345110915.db2.gz FYQPWGTWERYEMI-CBAPKCEASA-N 0 0 168.261 2.152 10 0 AEAERN CNc1c(C)ccc(O)c1C 306219107 345111156 /nfs/dbraw/zinc/11/11/56/345111156.db2.gz MIRVUGLLRBVQEL-UHFFFAOYSA-N 0 0 151.209 2.051 10 0 AEAERN C[C@@H]1[C@@H]2CCCCC[C@H](O)[C@@H]21 306219704 345111826 /nfs/dbraw/zinc/11/18/26/345111826.db2.gz TTYAIHXKSQBGDJ-XFWSIPNHSA-N 0 0 154.253 2.194 10 0 AEAERN C[C@@H]1[C@@H]2CCCCC[C@@H](O)[C@@H]21 306219703 345111877 /nfs/dbraw/zinc/11/18/77/345111877.db2.gz TTYAIHXKSQBGDJ-UTINFBMNSA-N 0 0 154.253 2.194 10 0 AEAERN CC(=O)N[C@H](C)[C@@H]1CCC[C@@H](C)C1 306219491 345111884 /nfs/dbraw/zinc/11/18/84/345111884.db2.gz MTTIDUKWEMLQPG-FXPVBKGRSA-N 0 0 183.295 2.337 10 0 AEAERN CC(=O)N[C@H](C)[C@H]1CCC[C@H](C)C1 306219494 345112035 /nfs/dbraw/zinc/11/20/35/345112035.db2.gz MTTIDUKWEMLQPG-NGZCFLSTSA-N 0 0 183.295 2.337 10 0 AEAERN C[C@@H]1[C@@H]2CCCCC[C@H](O)[C@H]21 306219702 345112037 /nfs/dbraw/zinc/11/20/37/345112037.db2.gz TTYAIHXKSQBGDJ-KATARQTJSA-N 0 0 154.253 2.194 10 0 AEAERN CC(=O)N[C@H](C)[C@@H]1CCC[C@H](C)C1 306219492 345112189 /nfs/dbraw/zinc/11/21/89/345112189.db2.gz MTTIDUKWEMLQPG-IQJOONFLSA-N 0 0 183.295 2.337 10 0 AEAERN CC(C)c1nc(-c2cncs2)no1 306220208 345113011 /nfs/dbraw/zinc/11/30/11/345113011.db2.gz UJZZTEPRQCLCDQ-UHFFFAOYSA-N 0 0 195.247 2.317 10 0 AEAERN CC[C@@H](C)Nc1nc(C)nc(C)c1F 306220289 345113032 /nfs/dbraw/zinc/11/30/32/345113032.db2.gz HMDUDSHYRUUBON-ZCFIWIBFSA-N 0 0 197.257 2.443 10 0 AEAERN CC[C@H](C)Nc1nc(C)nc(C)c1F 306220288 345113112 /nfs/dbraw/zinc/11/31/12/345113112.db2.gz HMDUDSHYRUUBON-LURJTMIESA-N 0 0 197.257 2.443 10 0 AEAERN CC1(C)C[C@@H]1C(=O)OC1CCC1 306220626 345113601 /nfs/dbraw/zinc/11/36/01/345113601.db2.gz VCMZHPYCXGMVAZ-MRVPVSSYSA-N 0 0 168.236 2.128 10 0 AEAERN COc1cc[nH+]c(NCC2(F)CC2)c1 306220827 345113662 /nfs/dbraw/zinc/11/36/62/345113662.db2.gz OURBVIOCROROMI-UHFFFAOYSA-N 0 0 196.225 2.004 10 0 AEAERN CC(C)(C)C(C)(C)c1nc(N)ns1 306220757 345113722 /nfs/dbraw/zinc/11/37/22/345113722.db2.gz IKIDCKABNFMGBA-UHFFFAOYSA-N 0 0 199.323 2.444 10 0 AEAERN CC1(C)C[C@H]1C(=O)OC1CCC1 306220628 345113739 /nfs/dbraw/zinc/11/37/39/345113739.db2.gz VCMZHPYCXGMVAZ-QMMMGPOBSA-N 0 0 168.236 2.128 10 0 AEAERN CC(=O)C(C)(C)C1CCC1 306221505 345114244 /nfs/dbraw/zinc/11/42/44/345114244.db2.gz WCRHQUWUBLRQEA-UHFFFAOYSA-N 0 0 140.226 2.402 10 0 AEAERN CCc1[nH]nc(N[C@H]2CC[C@H]2C)c1C 306222222 345114735 /nfs/dbraw/zinc/11/47/35/345114735.db2.gz JZMLHNCBHSLSDC-XCBNKYQSSA-N 0 0 193.294 2.491 10 0 AEAERN CC[C@@H]1CC[C@H](C)N(C(=O)OC)C1 306222777 345115470 /nfs/dbraw/zinc/11/54/70/345115470.db2.gz KTVPXKPICAFQIJ-DTWKUNHWSA-N 0 0 185.267 2.263 10 0 AEAERN C[C@H]1C[C@H]1c1nnc(C(C)(C)F)o1 306222900 345115811 /nfs/dbraw/zinc/11/58/11/345115811.db2.gz XSQIBZSIVYASFB-NTSWFWBYSA-N 0 0 184.214 2.398 10 0 AEAERN C[C@@H]1C[C@H]1c1nnc(C(C)(C)F)o1 306222901 345116020 /nfs/dbraw/zinc/11/60/20/345116020.db2.gz XSQIBZSIVYASFB-PHDIDXHHSA-N 0 0 184.214 2.398 10 0 AEAERN C[C@H]1C[C@@H]1c1nnc(C(C)(C)F)o1 306222903 345116045 /nfs/dbraw/zinc/11/60/45/345116045.db2.gz XSQIBZSIVYASFB-WDSKDSINSA-N 0 0 184.214 2.398 10 0 AEAERN C[C@@H]1C[C@@H]1c1nnc(C(C)(C)F)o1 306222902 345116080 /nfs/dbraw/zinc/11/60/80/345116080.db2.gz XSQIBZSIVYASFB-RITPCOANSA-N 0 0 184.214 2.398 10 0 AEAERN COCC(=O)c1ccsc1Cl 306223869 345117004 /nfs/dbraw/zinc/11/70/04/345117004.db2.gz CDPYXFYROGEAEP-UHFFFAOYSA-N 0 0 190.651 2.231 10 0 AEAERN Cc1ccc(-c2cnc(=O)[nH]c2)s1 306224027 345117112 /nfs/dbraw/zinc/11/71/12/345117112.db2.gz CYUHNPITSBGTQH-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN CC1CC([NH2+]Cc2cccnc2F)C1 306224450 345117642 /nfs/dbraw/zinc/11/76/42/345117642.db2.gz TZKLIFHIXBZFPK-UHFFFAOYSA-N 0 0 194.253 2.109 10 0 AEAERN CSc1cnc(NC(C)(C)C)nc1 306224465 345117663 /nfs/dbraw/zinc/11/76/63/345117663.db2.gz DLPMRYSWJMCZMO-UHFFFAOYSA-N 0 0 197.307 2.409 10 0 AEAERN FC(F)(F)CN[C@@H]1[C@H]2CCCC[C@H]21 306224449 345117680 /nfs/dbraw/zinc/11/76/80/345117680.db2.gz DKMUTFBOTOTISR-JIGDXULJSA-N 0 0 193.212 2.327 10 0 AEAERN COc1cc(OC(C)C)c(N)cc1C 306225021 345118237 /nfs/dbraw/zinc/11/82/37/345118237.db2.gz DUNZHRJGSDQXCZ-UHFFFAOYSA-N 0 0 195.262 2.373 10 0 AEAERN CCC(C)(C)NC(=O)C1CC(C)C1 306225081 345118253 /nfs/dbraw/zinc/11/82/53/345118253.db2.gz UMRDDSLKIYKCSO-UHFFFAOYSA-N 0 0 183.295 2.337 10 0 AEAERN CSc1nc(C2CC2)ns1 306224901 345118276 /nfs/dbraw/zinc/11/82/76/345118276.db2.gz FKSARODNZQUGSQ-UHFFFAOYSA-N 0 0 172.278 2.137 10 0 AEAERN CN(C)C(=O)NC(C)(C)C(C)(C)C 306225072 345118387 /nfs/dbraw/zinc/11/83/87/345118387.db2.gz DXJXFEGQFMKEGR-UHFFFAOYSA-N 0 0 186.299 2.082 10 0 AEAERN Cc1nnc([C@H](C)C(F)(F)F)o1 306227489 345120435 /nfs/dbraw/zinc/12/04/35/345120435.db2.gz HKPKVQQOXHTALB-VKHMYHEASA-N 0 0 180.129 2.044 10 0 AEAERN CC[C@@H](NO)c1cc(F)ccc1F 306227402 345120461 /nfs/dbraw/zinc/12/04/61/345120461.db2.gz GZSSHDCADDXCLR-SECBINFHSA-N 0 0 187.189 2.395 10 0 AEAERN CC1(NC(=O)c2sccc2F)CC1 306227265 345120501 /nfs/dbraw/zinc/12/05/01/345120501.db2.gz GYJNGSARTDXGLZ-UHFFFAOYSA-N 0 0 199.250 2.170 10 0 AEAERN Cc1nnc([C@@H](C)C(F)(F)F)o1 306227488 345120575 /nfs/dbraw/zinc/12/05/75/345120575.db2.gz HKPKVQQOXHTALB-GSVOUGTGSA-N 0 0 180.129 2.044 10 0 AEAERN CC1(C[C@@H](O)C(F)(F)F)CCC1 306228424 345121163 /nfs/dbraw/zinc/12/11/63/345121163.db2.gz FOHQNAHALCKQPR-ZCFIWIBFSA-N 0 0 182.185 2.490 10 0 AEAERN CSc1ncnc2cccc(F)c12 306228317 345121277 /nfs/dbraw/zinc/12/12/77/345121277.db2.gz HKDNCDHWHBJRRD-UHFFFAOYSA-N 0 0 194.234 2.491 10 0 AEAERN C[C@@]1(CC2CCC2)CCC[C@H](CO)O1 306229099 345122403 /nfs/dbraw/zinc/12/24/03/345122403.db2.gz HVWPAJOEBZAZBU-NEPJUHHUSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@]1(CC2CCC2)CCC[C@@H](CO)O1 306229101 345122427 /nfs/dbraw/zinc/12/24/27/345122427.db2.gz HVWPAJOEBZAZBU-NWDGAFQWSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@]1(CC2CCC2)CCC[C@H](CO)O1 306229105 345122431 /nfs/dbraw/zinc/12/24/31/345122431.db2.gz HVWPAJOEBZAZBU-VXGBXAGGSA-N 0 0 198.306 2.497 10 0 AEAERN Nc1nc(CC2CCCCC2)ns1 306229309 345122434 /nfs/dbraw/zinc/12/24/34/345122434.db2.gz JDNVDFPAUNSARR-UHFFFAOYSA-N 0 0 197.307 2.243 10 0 AEAERN CCCc1cc(F)c(F)cc1N 306229282 345122446 /nfs/dbraw/zinc/12/24/46/345122446.db2.gz IEDGWKFDXSDHKU-UHFFFAOYSA-N 0 0 171.190 2.500 10 0 AEAERN C[C@@]1(CC2CCC2)CCC[C@@H](CO)O1 306229103 345122553 /nfs/dbraw/zinc/12/25/53/345122553.db2.gz HVWPAJOEBZAZBU-RYUDHWBXSA-N 0 0 198.306 2.497 10 0 AEAERN O=C1CCCC[C@H]1c1cscn1 306229800 345122988 /nfs/dbraw/zinc/12/29/88/345122988.db2.gz 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345181447 /nfs/dbraw/zinc/18/14/47/345181447.db2.gz MHGODPNZBUNMHD-UHFFFAOYSA-N 0 0 195.247 2.052 10 0 AEAERN CC(F)(F)C(=O)c1cncc(F)c1 306301556 345181450 /nfs/dbraw/zinc/18/14/50/345181450.db2.gz WWHMYJXDAPYESV-UHFFFAOYSA-N 0 0 189.136 2.059 10 0 AEAERN Cc1cccnc1NCC1(F)CC1 306301289 345181520 /nfs/dbraw/zinc/18/15/20/345181520.db2.gz GGHZFPYXBXGKPW-UHFFFAOYSA-N 0 0 180.226 2.304 10 0 AEAERN C[C@H]1CSC[C@@H]1Nc1cccnc1 306301225 345181606 /nfs/dbraw/zinc/18/16/06/345181606.db2.gz IHCWOGJSVQQELC-WPRPVWTQSA-N 0 0 194.303 2.245 10 0 AEAERN CCC(=O)N1C[C@H](CC)CC[C@@H]1C 306301677 345181627 /nfs/dbraw/zinc/18/16/27/345181627.db2.gz MWJCCYSHZGYJFN-VHSXEESVSA-N 0 0 183.295 2.434 10 0 AEAERN C[C@@H]1CSC[C@H]1Nc1cccnc1 306301221 345181649 /nfs/dbraw/zinc/18/16/49/345181649.db2.gz IHCWOGJSVQQELC-PSASIEDQSA-N 0 0 194.303 2.245 10 0 AEAERN C[C@H]1CSC[C@H]1Nc1cccnc1 306301223 345181823 /nfs/dbraw/zinc/18/18/23/345181823.db2.gz IHCWOGJSVQQELC-WCBMZHEXSA-N 0 0 194.303 2.245 10 0 AEAERN CC1(C(=O)[C@H]2CCCS2)CC1 306302085 345182103 /nfs/dbraw/zinc/18/21/03/345182103.db2.gz ZVYZVMLRBFOSIP-SSDOTTSWSA-N 0 0 170.277 2.251 10 0 AEAERN C[C@@H]1CC[C@@H]1Nc1ccc(Cl)nn1 306301949 345182166 /nfs/dbraw/zinc/18/21/66/345182166.db2.gz MCTUZTPUINLHPR-RQJHMYQMSA-N 0 0 197.669 2.340 10 0 AEAERN CC(C)[C@@H](C)Nc1ccc(=O)[nH]c1 306302207 345182167 /nfs/dbraw/zinc/18/21/67/345182167.db2.gz YYITZLBMVXYJEG-MRVPVSSYSA-N 0 0 180.251 2.244 10 0 AEAERN Nc1cc(Cl)ccc1N1CCC1 306302199 345182364 /nfs/dbraw/zinc/18/23/64/345182364.db2.gz YWLLRZVYTSADLI-UHFFFAOYSA-N 0 0 182.654 2.132 10 0 AEAERN C[C@@H]1CC[C@H]1Nc1ccc(Cl)nn1 306301948 345182227 /nfs/dbraw/zinc/18/22/27/345182227.db2.gz MCTUZTPUINLHPR-RNFRBKRXSA-N 0 0 197.669 2.340 10 0 AEAERN C[C@H]1CC[C@@H]1Nc1ccc(Cl)nn1 306301946 345182261 /nfs/dbraw/zinc/18/22/61/345182261.db2.gz MCTUZTPUINLHPR-BQBZGAKWSA-N 0 0 197.669 2.340 10 0 AEAERN C[C@H]1CC[C@H]1Nc1ccc(Cl)nn1 306301947 345182314 /nfs/dbraw/zinc/18/23/14/345182314.db2.gz MCTUZTPUINLHPR-NKWVEPMBSA-N 0 0 197.669 2.340 10 0 AEAERN Cc1cc(Cl)cn2cc(C=O)nc12 306301935 345182326 /nfs/dbraw/zinc/18/23/26/345182326.db2.gz LZLXOOYMSYKZLT-UHFFFAOYSA-N 0 0 194.621 2.109 10 0 AEAERN CC1(C(=O)[C@@H]2CCCS2)CC1 306302089 345182382 /nfs/dbraw/zinc/18/23/82/345182382.db2.gz ZVYZVMLRBFOSIP-ZETCQYMHSA-N 0 0 170.277 2.251 10 0 AEAERN C[C@H]1C[C@@H](C)C[C@@H](C)C1=O 306302607 345182889 /nfs/dbraw/zinc/18/28/89/345182889.db2.gz CFAIQLSTEVEYCJ-RNLVFQAGSA-N 0 0 140.226 2.258 10 0 AEAERN Oc1cncc(C2=CCCC2)c1 306302742 345182971 /nfs/dbraw/zinc/18/29/71/345182971.db2.gz CGNQBABOOVPMJQ-UHFFFAOYSA-N 0 0 161.204 2.355 10 0 AEAERN F[C@H]1CCCCN(CC(F)(F)F)C1 306303567 345183212 /nfs/dbraw/zinc/18/32/12/345183212.db2.gz AYMRUQUJHUGMDD-ZETCQYMHSA-N 0 0 199.191 2.373 10 0 AEAERN Cc1cccc(S[C@@H]2C[C@H]2CO)c1 306304077 345183312 /nfs/dbraw/zinc/18/33/12/345183312.db2.gz HTAZPEWAJKAOOH-GXSJLCMTSA-N 0 0 194.299 2.468 10 0 AEAERN Cc1c(N)nsc1N[C@H]1CC[C@@H]1C 306303952 345183353 /nfs/dbraw/zinc/18/33/53/345183353.db2.gz PRKMZFDHEYLPBU-FSPLSTOPSA-N 0 0 197.307 2.244 10 0 AEAERN F[C@@H]1CCCCN(CC(F)(F)F)C1 306303565 345183549 /nfs/dbraw/zinc/18/35/49/345183549.db2.gz AYMRUQUJHUGMDD-SSDOTTSWSA-N 0 0 199.191 2.373 10 0 AEAERN Cc1cccc(-c2c[nH]nc2C)n1 306303566 345183400 /nfs/dbraw/zinc/18/34/00/345183400.db2.gz BEPFDWJXADBULH-UHFFFAOYSA-N 0 0 173.219 2.089 10 0 AEAERN Cc1coc(N[C@H](C)C2CC2)n1 306303621 345183403 /nfs/dbraw/zinc/18/34/03/345183403.db2.gz BEVIDFLSXCLWEH-SSDOTTSWSA-N 0 0 166.224 2.193 10 0 AEAERN Cc1cccc(S[C@H]2C[C@H]2CO)c1 306304082 345183510 /nfs/dbraw/zinc/18/35/10/345183510.db2.gz HTAZPEWAJKAOOH-ONGXEEELSA-N 0 0 194.299 2.468 10 0 AEAERN Cc1cccc(S[C@H]2C[C@@H]2CO)c1 306304078 345183527 /nfs/dbraw/zinc/18/35/27/345183527.db2.gz HTAZPEWAJKAOOH-KOLCDFICSA-N 0 0 194.299 2.468 10 0 AEAERN Cc1c(N)nsc1N[C@@H]1CC[C@H]1C 306303959 345183559 /nfs/dbraw/zinc/18/35/59/345183559.db2.gz PRKMZFDHEYLPBU-IYSWYEEDSA-N 0 0 197.307 2.244 10 0 AEAERN Cc1cccc(S[C@@H]2C[C@@H]2CO)c1 306304081 345183592 /nfs/dbraw/zinc/18/35/92/345183592.db2.gz HTAZPEWAJKAOOH-MWLCHTKSSA-N 0 0 194.299 2.468 10 0 AEAERN Cc1coc(N[C@@H](C)C2CC2)n1 306303623 345183599 /nfs/dbraw/zinc/18/35/99/345183599.db2.gz BEVIDFLSXCLWEH-ZETCQYMHSA-N 0 0 166.224 2.193 10 0 AEAERN CC(C)c1c(C2(C)CC2)noc1N 306303389 345183609 /nfs/dbraw/zinc/18/36/09/345183609.db2.gz CURJWJOKVCOBGB-UHFFFAOYSA-N 0 0 180.251 2.432 10 0 AEAERN Cc1c(N)nsc1N[C@H]1CC[C@H]1C 306303968 345183647 /nfs/dbraw/zinc/18/36/47/345183647.db2.gz PRKMZFDHEYLPBU-VDTYLAMSSA-N 0 0 197.307 2.244 10 0 AEAERN Cc1c(N)nsc1N[C@@H]1CC[C@@H]1C 306303945 345183678 /nfs/dbraw/zinc/18/36/78/345183678.db2.gz PRKMZFDHEYLPBU-CAHLUQPWSA-N 0 0 197.307 2.244 10 0 AEAERN Cc1nn2cc(C3CCC3)nc2s1 306304149 345184059 /nfs/dbraw/zinc/18/40/59/345184059.db2.gz IBLXYOZSWSHKPJ-UHFFFAOYSA-N 0 0 193.275 2.367 10 0 AEAERN O=C(c1cscn1)[C@H]1CCCS1 306304672 345184589 /nfs/dbraw/zinc/18/45/89/345184589.db2.gz IILDWWMCKYYABF-SSDOTTSWSA-N 0 0 199.300 2.221 10 0 AEAERN COc1cccc(Cl)c1C[C@@H]1CO1 306304679 345184677 /nfs/dbraw/zinc/18/46/77/345184677.db2.gz IITSNUVGGGPGBB-SSDOTTSWSA-N 0 0 198.649 2.290 10 0 AEAERN Nc1csc(CC2CCC2)n1 306305023 345184847 /nfs/dbraw/zinc/18/48/47/345184847.db2.gz ROUNMGSSOLLXCF-UHFFFAOYSA-N 0 0 168.265 2.068 10 0 AEAERN COc1cccc(Cl)c1C[C@H]1CO1 306304680 345184801 /nfs/dbraw/zinc/18/48/01/345184801.db2.gz IITSNUVGGGPGBB-ZETCQYMHSA-N 0 0 198.649 2.290 10 0 AEAERN O=C(c1cscn1)[C@@H]1CCCS1 306304673 345184870 /nfs/dbraw/zinc/18/48/70/345184870.db2.gz IILDWWMCKYYABF-ZETCQYMHSA-N 0 0 199.300 2.221 10 0 AEAERN C[C@@H](O)C[C@@H](C)c1cscn1 306305608 345185477 /nfs/dbraw/zinc/18/54/77/345185477.db2.gz IVTDBRTVFMWYFQ-RNFRBKRXSA-N 0 0 171.265 2.018 10 0 AEAERN C[C@@H](C[C@@H](C)O)c1cscn1 306305607 345185607 /nfs/dbraw/zinc/18/56/07/345185607.db2.gz IVTDBRTVFMWYFQ-NKWVEPMBSA-N 0 0 171.265 2.018 10 0 AEAERN C[C@H](O)C[C@@H](C)c1cscn1 306305609 345185628 /nfs/dbraw/zinc/18/56/28/345185628.db2.gz IVTDBRTVFMWYFQ-RQJHMYQMSA-N 0 0 171.265 2.018 10 0 AEAERN C[C@H](O)C[C@H](C)c1cscn1 306305606 345185657 /nfs/dbraw/zinc/18/56/57/345185657.db2.gz IVTDBRTVFMWYFQ-BQBZGAKWSA-N 0 0 171.265 2.018 10 0 AEAERN Cc1cccc(CN2CC(F)C2)c1 306306064 345185913 /nfs/dbraw/zinc/18/59/13/345185913.db2.gz PPJUYJACRKDIFH-UHFFFAOYSA-N 0 0 179.238 2.149 10 0 AEAERN OC[C@@]1(CC2CCCC2)CCCO1 306307087 345186497 /nfs/dbraw/zinc/18/64/97/345186497.db2.gz JPEKIKFTDYFQEF-NSHDSACASA-N 0 0 184.279 2.108 10 0 AEAERN C[C@H](NC(=O)C1(C)CCC1)C1CC1 306306848 345186614 /nfs/dbraw/zinc/18/66/14/345186614.db2.gz FNDBYVWZBOUGDH-QMMMGPOBSA-N 0 0 181.279 2.091 10 0 AEAERN OC[C@]1(CC2CCCC2)CCCO1 306306986 345186862 /nfs/dbraw/zinc/18/68/62/345186862.db2.gz JPEKIKFTDYFQEF-LLVKDONJSA-N 0 0 184.279 2.108 10 0 AEAERN CC(C)Cc1nc([C@@H]2C[C@H]2C)no1 306308887 345187780 /nfs/dbraw/zinc/18/77/80/345187780.db2.gz GKECHZMUZABXME-HTQZYQBOSA-N 0 0 180.251 2.392 10 0 AEAERN CN(C(=O)C1=CCCC1)C1CCC1 306308714 345187807 /nfs/dbraw/zinc/18/78/07/345187807.db2.gz GDALRDVKJOQRDB-UHFFFAOYSA-N 0 0 179.263 2.108 10 0 AEAERN CC(C)C1CC(Nc2ncns2)C1 306308659 345187838 /nfs/dbraw/zinc/18/78/38/345187838.db2.gz GAUVSENFVKFQBE-UHFFFAOYSA-N 0 0 197.307 2.385 10 0 AEAERN CC(C)Cc1nc([C@H]2C[C@@H]2C)no1 306308891 345187879 /nfs/dbraw/zinc/18/78/79/345187879.db2.gz GKECHZMUZABXME-YUMQZZPRSA-N 0 0 180.251 2.392 10 0 AEAERN C[C@H](NC(N)=O)C1CCCCCC1 306308680 345187929 /nfs/dbraw/zinc/18/79/29/345187929.db2.gz LCLNEJJQHVGDMQ-QMMMGPOBSA-N 0 0 184.283 2.014 10 0 AEAERN CC(C)(NC1CCC1)C(F)F 306308691 345188044 /nfs/dbraw/zinc/18/80/44/345188044.db2.gz GCDVCHXSJUMRNS-UHFFFAOYSA-N 0 0 163.211 2.172 10 0 AEAERN CC(C)Cc1nc([C@H]2C[C@H]2C)no1 306308890 345188050 /nfs/dbraw/zinc/18/80/50/345188050.db2.gz GKECHZMUZABXME-SFYZADRCSA-N 0 0 180.251 2.392 10 0 AEAERN CSC(C)(C)c1noc(Cl)n1 306308210 345188200 /nfs/dbraw/zinc/18/82/00/345188200.db2.gz WREOHXWRDKYMAS-UHFFFAOYSA-N 0 0 192.671 2.321 10 0 AEAERN Cc1coc(NC2CC(F)(F)C2)n1 306309121 345188610 /nfs/dbraw/zinc/18/86/10/345188610.db2.gz LDYSDVXYZRGPSG-UHFFFAOYSA-N 0 0 188.177 2.193 10 0 AEAERN C[C@H]1CCCC[C@@H]1Nc1nnco1 306309325 345188687 /nfs/dbraw/zinc/18/86/87/345188687.db2.gz IJTYGVOSGNKJET-YUMQZZPRSA-N 0 0 181.239 2.060 10 0 AEAERN C[C@@H]1CCCC[C@@H]1Nc1nnco1 306309319 345188818 /nfs/dbraw/zinc/18/88/18/345188818.db2.gz IJTYGVOSGNKJET-SFYZADRCSA-N 0 0 181.239 2.060 10 0 AEAERN C[C@H]1CCCC[C@H]1Nc1nnco1 306309312 345188895 /nfs/dbraw/zinc/18/88/95/345188895.db2.gz IJTYGVOSGNKJET-JGVFFNPUSA-N 0 0 181.239 2.060 10 0 AEAERN C[C@@H]1CCCC[C@H]1Nc1nnco1 306309306 345188919 /nfs/dbraw/zinc/18/89/19/345188919.db2.gz IJTYGVOSGNKJET-HTQZYQBOSA-N 0 0 181.239 2.060 10 0 AEAERN C[C@@H](O)c1cc(F)ccc1N1CCC1 306310238 345189269 /nfs/dbraw/zinc/18/92/69/345189269.db2.gz ARVJGFWWEYMWDP-MRVPVSSYSA-N 0 0 195.237 2.089 10 0 AEAERN CC(C)(C)C(=O)O[C@@H]1CCC[C@H]1F 306309945 345189503 /nfs/dbraw/zinc/18/95/03/345189503.db2.gz LVIRRANCZAVHCI-HTQZYQBOSA-N 0 0 188.242 2.466 10 0 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306327518 345204906 /nfs/dbraw/zinc/20/49/06/345204906.db2.gz XVGBKNRWSNHJHD-GFCCVEGCSA-N 0 0 198.306 2.498 10 0 AEAERN CON[C@@H]1C[C@@H](C)c2ccccc21 306328534 345206122 /nfs/dbraw/zinc/20/61/22/345206122.db2.gz XMWNHHBEZIVKKR-LDYMZIIASA-N 0 0 177.247 2.386 10 0 AEAERN CON[C@H]1C[C@@H](C)c2ccccc21 306328532 345206123 /nfs/dbraw/zinc/20/61/23/345206123.db2.gz XMWNHHBEZIVKKR-KCJUWKMLSA-N 0 0 177.247 2.386 10 0 AEAERN COC1CC(Nc2ncc(C)s2)C1 306328840 345206127 /nfs/dbraw/zinc/20/61/27/345206127.db2.gz NUURQSHCEFNEGY-UHFFFAOYSA-N 0 0 198.291 2.041 10 0 AEAERN Fc1cc(NCCC(F)F)ccn1 306328936 345206131 /nfs/dbraw/zinc/20/61/31/345206131.db2.gz YRXCETWQUQNOSM-UHFFFAOYSA-N 0 0 190.168 2.288 10 0 AEAERN CON[C@@H]1C[C@H](C)c2ccccc21 306328531 345206170 /nfs/dbraw/zinc/20/61/70/345206170.db2.gz XMWNHHBEZIVKKR-GZMMTYOYSA-N 0 0 177.247 2.386 10 0 AEAERN CON[C@H]1C[C@H](C)c2ccccc21 306328533 345206219 /nfs/dbraw/zinc/20/62/19/345206219.db2.gz XMWNHHBEZIVKKR-KWQFWETISA-N 0 0 177.247 2.386 10 0 AEAERN 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2.077 10 0 AEAERN O=C(c1ccsn1)C1CCC1 306343206 345217123 /nfs/dbraw/zinc/21/71/23/345217123.db2.gz HVUIMTLLFZRNSD-UHFFFAOYSA-N 0 0 167.233 2.126 10 0 AEAERN Cc1ncsc1C(=O)c1ccc[nH]1 306342932 345217191 /nfs/dbraw/zinc/21/71/91/345217191.db2.gz MORWDXMSFNVACS-UHFFFAOYSA-N 0 0 192.243 2.011 10 0 AEAERN CC(C)(C)n1[nH]c(C2CCC2)cc1=N 306343834 345217852 /nfs/dbraw/zinc/21/78/52/345217852.db2.gz LVHUBLPZPXJOTN-UHFFFAOYSA-N 0 0 193.294 2.318 10 0 AEAERN CCC(=O)N1C[C@@H](CC)CC[C@@H]1C 306344077 345218159 /nfs/dbraw/zinc/21/81/59/345218159.db2.gz MWJCCYSHZGYJFN-UWVGGRQHSA-N 0 0 183.295 2.434 10 0 AEAERN Cc1cc(NCC2(F)CC2)nnc1C 306344456 345218218 /nfs/dbraw/zinc/21/82/18/345218218.db2.gz MUQALUMJZUYUKP-UHFFFAOYSA-N 0 0 195.241 2.007 10 0 AEAERN CCC(=O)N1C[C@@H](CC)CC[C@H]1C 306344079 345218226 /nfs/dbraw/zinc/21/82/26/345218226.db2.gz MWJCCYSHZGYJFN-ZJUUUORDSA-N 0 0 183.295 2.434 10 0 AEAERN CC1(CC(=O)NC2CC2)CCCC1 306345472 345219582 /nfs/dbraw/zinc/21/95/82/345219582.db2.gz PWGYTCCWNWFZBK-UHFFFAOYSA-N 0 0 181.279 2.235 10 0 AEAERN CC(C)=CC[C@H]1COC(C)(C)C1=O 306345393 345219443 /nfs/dbraw/zinc/21/94/43/345219443.db2.gz PMCDWZNVWPPFSQ-VIFPVBQESA-N 0 0 182.263 2.337 10 0 AEAERN CC(C)=CC[C@@H]1COC(C)(C)C1=O 306345391 345219519 /nfs/dbraw/zinc/21/95/19/345219519.db2.gz PMCDWZNVWPPFSQ-SECBINFHSA-N 0 0 182.263 2.337 10 0 AEAERN CC(C)(F)C(=O)C1CCC1 306345573 345219592 /nfs/dbraw/zinc/21/95/92/345219592.db2.gz OIEFGDCZDGVIMI-UHFFFAOYSA-N 0 0 144.189 2.104 10 0 AEAERN Cc1c[nH]c([C@@H](O)C(C)(F)F)c1C 306345974 345219859 /nfs/dbraw/zinc/21/98/59/345219859.db2.gz FIVJWWVSBCHXGM-MRVPVSSYSA-N 0 0 189.205 2.320 10 0 AEAERN CCC(CC)[C@@]1(O)CCOC1(C)C 306346027 345220148 /nfs/dbraw/zinc/22/01/48/345220148.db2.gz PFMRQWCPDVNULJ-NSHDSACASA-N 0 0 186.295 2.353 10 0 AEAERN Cc1c[nH]c([C@H](O)C(C)(F)F)c1C 306345976 345220347 /nfs/dbraw/zinc/22/03/47/345220347.db2.gz FIVJWWVSBCHXGM-QMMMGPOBSA-N 0 0 189.205 2.320 10 0 AEAERN CCC(CC)[C@]1(O)CCOC1(C)C 306346026 345220386 /nfs/dbraw/zinc/22/03/86/345220386.db2.gz PFMRQWCPDVNULJ-LLVKDONJSA-N 0 0 186.295 2.353 10 0 AEAERN C[C@H]1CC[C@H]1Nc1cccc(F)n1 306346809 345220449 /nfs/dbraw/zinc/22/04/49/345220449.db2.gz CAYJZTNMIRKCJI-JGVFFNPUSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@@H]1CC[C@H]1Nc1cccc(F)n1 306346808 345220491 /nfs/dbraw/zinc/22/04/91/345220491.db2.gz CAYJZTNMIRKCJI-HTQZYQBOSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@@H]1CC[C@@H]1Nc1cccc(F)n1 306346810 345220691 /nfs/dbraw/zinc/22/06/91/345220691.db2.gz CAYJZTNMIRKCJI-SFYZADRCSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@H]1CC[C@@H]1Nc1cccc(F)n1 306346811 345220971 /nfs/dbraw/zinc/22/09/71/345220971.db2.gz CAYJZTNMIRKCJI-YUMQZZPRSA-N 0 0 180.226 2.431 10 0 AEAERN CCC[C@]1(C2CCC2)C[C@@H](O)CCO1 306347123 345221197 /nfs/dbraw/zinc/22/11/97/345221197.db2.gz QSHFCUUCEBHMCM-NWDGAFQWSA-N 0 0 198.306 2.497 10 0 AEAERN CCC[C@@]1(C2CCC2)C[C@@H](O)CCO1 306347124 345221204 /nfs/dbraw/zinc/22/12/04/345221204.db2.gz QSHFCUUCEBHMCM-RYUDHWBXSA-N 0 0 198.306 2.497 10 0 AEAERN CCC[C@@]1(C2CCC2)C[C@H](O)CCO1 306347122 345221329 /nfs/dbraw/zinc/22/13/29/345221329.db2.gz QSHFCUUCEBHMCM-NEPJUHHUSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@]1(Cl)C(=O)[C@H]2CCCC[C@H]21 306347520 345221372 /nfs/dbraw/zinc/22/13/72/345221372.db2.gz RDXLMLKHDGOBIO-LKEWCRSYSA-N 0 0 172.655 2.373 10 0 AEAERN C[C@]1(Cl)C(=O)[C@@H]2CCCC[C@H]21 306347521 345221477 /nfs/dbraw/zinc/22/14/77/345221477.db2.gz RDXLMLKHDGOBIO-ZXFLCMHBSA-N 0 0 172.655 2.373 10 0 AEAERN CCC[C@]1(C2CCC2)C[C@H](O)CCO1 306347125 345221530 /nfs/dbraw/zinc/22/15/30/345221530.db2.gz QSHFCUUCEBHMCM-VXGBXAGGSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@@H](NO)c1ccc(O)c(Cl)c1 306348169 345222084 /nfs/dbraw/zinc/22/20/84/345222084.db2.gz SFWSPYZKUJAESN-RXMQYKEDSA-N 0 0 187.626 2.085 10 0 AEAERN CC(C)(C)[C@](C)(O)c1ccc[nH]1 306348700 345222426 /nfs/dbraw/zinc/22/24/26/345222426.db2.gz HLBWXRXLHLBJOY-SNVBAGLBSA-N 0 0 167.252 2.268 10 0 AEAERN Cc1ccc(N[C@H](C)CO)cc1C 306348384 345222517 /nfs/dbraw/zinc/22/25/17/345222517.db2.gz HBXBBRDNVIGHAJ-SNVBAGLBSA-N 0 0 179.263 2.096 10 0 AEAERN CCc1cc(ON)ccc1Cl 306351625 345224505 /nfs/dbraw/zinc/22/45/05/345224505.db2.gz YBVNCZLGASGCCE-UHFFFAOYSA-N 0 0 171.627 2.155 10 0 AEAERN Nc1cccc(Cl)c1CN1CCC1 306351274 345224559 /nfs/dbraw/zinc/22/45/59/345224559.db2.gz XEVBIHMLWMECHV-UHFFFAOYSA-N 0 0 196.681 2.128 10 0 AEAERN C[C@H]1C[C@@H](C)[N@@H+]1Cc1ccco1 306351784 345224579 /nfs/dbraw/zinc/22/45/79/345224579.db2.gz XZVJCRVJFITGEW-DTORHVGOSA-N 0 0 165.236 2.262 10 0 AEAERN CSc1ccccc1N[C@H](C)CO 306351961 345225037 /nfs/dbraw/zinc/22/50/37/345225037.db2.gz YMLOZNVABFEJQF-MRVPVSSYSA-N 0 0 197.303 2.201 10 0 AEAERN Oc1ccc(Sc2cn[nH]c2)cc1 306352544 345225169 /nfs/dbraw/zinc/22/51/69/345225169.db2.gz ZHSCHLZLQNKRNZ-UHFFFAOYSA-N 0 0 192.243 2.267 10 0 AEAERN CSc1ccccc1N[C@@H](C)CO 306351962 345225234 /nfs/dbraw/zinc/22/52/34/345225234.db2.gz YMLOZNVABFEJQF-QMMMGPOBSA-N 0 0 197.303 2.201 10 0 AEAERN CC[C@@](C)(O)c1cnc(C)c(C)c1 306353711 345226095 /nfs/dbraw/zinc/22/60/95/345226095.db2.gz PUIIEAAOWKEFEG-LLVKDONJSA-N 0 0 179.263 2.316 10 0 AEAERN Cc1cc(F)c(F)c2c1OCCN2 306353734 345226114 /nfs/dbraw/zinc/22/61/14/345226114.db2.gz PWRYDMNPHMCBQK-UHFFFAOYSA-N 0 0 185.173 2.078 10 0 AEAERN Cc1occc1[C@@H](N)c1ccsn1 306354091 345226120 /nfs/dbraw/zinc/22/61/20/345226120.db2.gz QLQROPDRQGPOLA-SECBINFHSA-N 0 0 194.259 2.093 10 0 AEAERN Cc1occc1[C@H](N)c1ccsn1 306354092 345226125 /nfs/dbraw/zinc/22/61/25/345226125.db2.gz QLQROPDRQGPOLA-VIFPVBQESA-N 0 0 194.259 2.093 10 0 AEAERN CC[C@](C)(O)c1cnc(C)c(C)c1 306353712 345226182 /nfs/dbraw/zinc/22/61/82/345226182.db2.gz PUIIEAAOWKEFEG-NSHDSACASA-N 0 0 179.263 2.316 10 0 AEAERN CC(C)Nc1nccnc1C(F)F 306354404 345226640 /nfs/dbraw/zinc/22/66/40/345226640.db2.gz HBTYZIZNMKTRHX-UHFFFAOYSA-N 0 0 187.193 2.235 10 0 AEAERN Nc1cc(Cl)ccc1NCCF 306354259 345226697 /nfs/dbraw/zinc/22/66/97/345226697.db2.gz QJSKYPLEKMVAEL-UHFFFAOYSA-N 0 0 188.633 2.304 10 0 AEAERN O[C@@H](c1ccc[nH]1)[C@@H]1CCCCS1 306355579 345226887 /nfs/dbraw/zinc/22/68/87/345226887.db2.gz VATAWSMRQLRSCB-UWVGGRQHSA-N 0 0 197.303 2.334 10 0 AEAERN O[C@H](c1ccc[nH]1)[C@@H]1CCCCS1 306355580 345227225 /nfs/dbraw/zinc/22/72/25/345227225.db2.gz VATAWSMRQLRSCB-VHSXEESVSA-N 0 0 197.303 2.334 10 0 AEAERN O[C@@H](c1ccc[nH]1)[C@H]1CCCCS1 306355581 345227295 /nfs/dbraw/zinc/22/72/95/345227295.db2.gz VATAWSMRQLRSCB-ZJUUUORDSA-N 0 0 197.303 2.334 10 0 AEAERN O[C@H](c1ccc[nH]1)[C@H]1CCCCS1 306355578 345227313 /nfs/dbraw/zinc/22/73/13/345227313.db2.gz VATAWSMRQLRSCB-NXEZZACHSA-N 0 0 197.303 2.334 10 0 AEAERN CC[C@@H]1CC[C@H](Nc2cc[nH]n2)C1 306356399 345227547 /nfs/dbraw/zinc/22/75/47/345227547.db2.gz KGZCQRWIAAIEPG-BDAKNGLRSA-N 0 0 179.267 2.400 10 0 AEAERN CC[C@H]1CC[C@H](Nc2cc[nH]n2)C1 306356401 345227598 /nfs/dbraw/zinc/22/75/98/345227598.db2.gz KGZCQRWIAAIEPG-IUCAKERBSA-N 0 0 179.267 2.400 10 0 AEAERN C[C@H]1C[C@@H]1c1coc(=S)[nH]1 306355817 345227623 /nfs/dbraw/zinc/22/76/23/345227623.db2.gz SOCJQEHFYSCREI-WHFBIAKZSA-N 0 0 155.222 2.087 10 0 AEAERN CC[C@H]1CC[C@@H](Nc2cc[nH]n2)C1 306356400 345227637 /nfs/dbraw/zinc/22/76/37/345227637.db2.gz KGZCQRWIAAIEPG-DTWKUNHWSA-N 0 0 179.267 2.400 10 0 AEAERN C[C@@H]1C[C@H]1c1coc(=S)[nH]1 306355815 345227714 /nfs/dbraw/zinc/22/77/14/345227714.db2.gz SOCJQEHFYSCREI-RFZPGFLSSA-N 0 0 155.222 2.087 10 0 AEAERN CC[C@@H]1CC[C@@H](Nc2cc[nH]n2)C1 306356402 345227728 /nfs/dbraw/zinc/22/77/28/345227728.db2.gz KGZCQRWIAAIEPG-RKDXNWHRSA-N 0 0 179.267 2.400 10 0 AEAERN C[C@@H]1C[C@@H]1c1coc(=S)[nH]1 306355816 345227766 /nfs/dbraw/zinc/22/77/66/345227766.db2.gz SOCJQEHFYSCREI-UHNVWZDZSA-N 0 0 155.222 2.087 10 0 AEAERN C[C@H]1C[C@H]1c1coc(=S)[nH]1 306355814 345227786 /nfs/dbraw/zinc/22/77/86/345227786.db2.gz SOCJQEHFYSCREI-CRCLSJGQSA-N 0 0 155.222 2.087 10 0 AEAERN Clc1cc2c(nn1)[C@H]1C[C@H]1CC2 306356984 345228070 /nfs/dbraw/zinc/22/80/70/345228070.db2.gz ZHFNMSRCQZTDMD-VDTYLAMSSA-N 0 0 180.638 2.180 10 0 AEAERN Clc1cc2c(nn1)[C@@H]1C[C@@H]1CC2 306356978 345228083 /nfs/dbraw/zinc/22/80/83/345228083.db2.gz ZHFNMSRCQZTDMD-CAHLUQPWSA-N 0 0 180.638 2.180 10 0 AEAERN C[C@@H]1CC[C@@H]1Nc1cnnc(Cl)c1 306357274 345228667 /nfs/dbraw/zinc/22/86/67/345228667.db2.gz VKOSXDSUTQAVIX-SVRRBLITSA-N 0 0 197.669 2.340 10 0 AEAERN CC(C)(F)C(=O)c1cncc(F)c1 306357375 345228692 /nfs/dbraw/zinc/22/86/92/345228692.db2.gz VQXVFHIPTNRVDP-UHFFFAOYSA-N 0 0 185.173 2.152 10 0 AEAERN C[C@H]1CC[C@@H]1Nc1cnnc(Cl)c1 306357275 345228697 /nfs/dbraw/zinc/22/86/97/345228697.db2.gz VKOSXDSUTQAVIX-XPUUQOCRSA-N 0 0 197.669 2.340 10 0 AEAERN COc1cc(NC(C)(C)C)ccn1 306357525 345228708 /nfs/dbraw/zinc/22/87/08/345228708.db2.gz WTUPHQPJDAERFZ-UHFFFAOYSA-N 0 0 180.251 2.301 10 0 AEAERN C[C@@H]1CC[C@H]1Nc1cnnc(Cl)c1 306357272 345228913 /nfs/dbraw/zinc/22/89/13/345228913.db2.gz VKOSXDSUTQAVIX-HTRCEHHLSA-N 0 0 197.669 2.340 10 0 AEAERN Cc1sc(N)nc1[C@H]1C[C@H]1C 306358315 345229234 /nfs/dbraw/zinc/22/92/34/345229234.db2.gz ZSMDLMBVMCLPRH-XINAWCOVSA-N 0 0 168.265 2.157 10 0 AEAERN Cc1sc(N)nc1[C@H]1C[C@@H]1C 306358313 345229312 /nfs/dbraw/zinc/22/93/12/345229312.db2.gz ZSMDLMBVMCLPRH-NJGYIYPDSA-N 0 0 168.265 2.157 10 0 AEAERN Cc1sc(N)nc1[C@@H]1C[C@H]1C 306358312 345229331 /nfs/dbraw/zinc/22/93/31/345229331.db2.gz ZSMDLMBVMCLPRH-INEUFUBQSA-N 0 0 168.265 2.157 10 0 AEAERN Cc1sc(N)nc1[C@@H]1C[C@@H]1C 306358314 345229337 /nfs/dbraw/zinc/22/93/37/345229337.db2.gz ZSMDLMBVMCLPRH-UJURSFKZSA-N 0 0 168.265 2.157 10 0 AEAERN CCC1CC(Nc2ccn(C)n2)C1 306358406 345229352 /nfs/dbraw/zinc/22/93/52/345229352.db2.gz YPOKFQCQZKUMHC-UHFFFAOYSA-N 0 0 179.267 2.021 10 0 AEAERN Cc1cc(-c2ccnc(N)c2)sn1 306358501 345229361 /nfs/dbraw/zinc/22/93/61/345229361.db2.gz ZKSAHUWZIMEFCZ-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Nc1ccnc(C2=CCCCC2)n1 306358555 345229405 /nfs/dbraw/zinc/22/94/05/345229405.db2.gz ZRXSNKWEGIBVCT-UHFFFAOYSA-N 0 0 175.235 2.016 10 0 AEAERN CC(C)(F)C(=O)C1CCCC1 306359130 345230048 /nfs/dbraw/zinc/23/00/48/345230048.db2.gz BOQBVPYCAWRKHS-UHFFFAOYSA-N 0 0 158.216 2.494 10 0 AEAERN CNc1cnc(-c2cccs2)cn1 306359836 345230472 /nfs/dbraw/zinc/23/04/72/345230472.db2.gz LKWCMNOZYNIHGV-UHFFFAOYSA-N 0 0 191.259 2.247 10 0 AEAERN CC(=O)C[C@@H](O)c1c(C)cccc1C 306359812 345230609 /nfs/dbraw/zinc/23/06/09/345230609.db2.gz LKAHZTYLJHVBMJ-LLVKDONJSA-N 0 0 192.258 2.316 10 0 AEAERN Fc1ccc(CN2CCC2)c(F)c1 306360614 345231151 /nfs/dbraw/zinc/23/11/51/345231151.db2.gz BEWNKLIBHXYKCR-UHFFFAOYSA-N 0 0 183.201 2.171 10 0 AEAERN FCCCSCC1CC1 306360331 345230620 /nfs/dbraw/zinc/23/06/20/345230620.db2.gz ACHCRGHJWNFALP-UHFFFAOYSA-N 0 0 148.246 2.489 10 0 AEAERN Cn1cc(N[C@@H]2CCC[C@H]3C[C@H]32)cn1 306359570 345230692 /nfs/dbraw/zinc/23/06/92/345230692.db2.gz DAHPNIZKYXGMEN-JMJZKYOTSA-N 0 0 191.278 2.021 10 0 AEAERN O=Cc1ccc(C2=CCCO2)cc1 306359525 345230864 /nfs/dbraw/zinc/23/08/64/345230864.db2.gz DDPOSEVXMJKLPK-UHFFFAOYSA-N 0 0 174.199 2.260 10 0 AEAERN CC1(CC(=O)N2CCC2)CCCC1 306361067 345231372 /nfs/dbraw/zinc/23/13/72/345231372.db2.gz OARATVCJXDYPOK-UHFFFAOYSA-N 0 0 181.279 2.189 10 0 AEAERN CCC(=O)Nc1cc(C)nc(C)c1 306360622 345231401 /nfs/dbraw/zinc/23/14/01/345231401.db2.gz BHXOKOYWPGLDPG-UHFFFAOYSA-N 0 0 178.235 2.047 10 0 AEAERN Fc1cc(F)cc(CN2CCC2)c1 306363327 345232960 /nfs/dbraw/zinc/23/29/60/345232960.db2.gz XNVALHMVARLWKE-UHFFFAOYSA-N 0 0 183.201 2.171 10 0 AEAERN C[C@H]1CCCCN1C(=O)C1=CCC1 306363253 345232986 /nfs/dbraw/zinc/23/29/86/345232986.db2.gz XDUXQVHTSAKDQW-VIFPVBQESA-N 0 0 179.263 2.108 10 0 AEAERN CC[C@H](NO)c1ccccc1C 306364011 345234672 /nfs/dbraw/zinc/23/46/72/345234672.db2.gz ABBDPAVNGWPCFN-JTQLQIEISA-N 0 0 165.236 2.425 10 0 AEAERN O=C(O[C@@H]1CCCC[C@H]1F)C(F)F 306364825 345234931 /nfs/dbraw/zinc/23/49/31/345234931.db2.gz DBCSJOJGNISSBU-PHDIDXHHSA-N 0 0 196.168 2.075 10 0 AEAERN CC1(c2nc3cccnc3[nH]2)CC1 306365604 345234936 /nfs/dbraw/zinc/23/49/36/345234936.db2.gz ANPWRGNYNBQDJF-UHFFFAOYSA-N 0 0 173.219 2.009 10 0 AEAERN O=c1cccc(C2=CCCC2)[nH]1 306366228 345235615 /nfs/dbraw/zinc/23/56/15/345235615.db2.gz GXZWBELJBOSHLH-UHFFFAOYSA-N 0 0 161.204 2.355 10 0 AEAERN Cc1cc(N)n([C@H](C)C2CCC2)n1 306365834 345235700 /nfs/dbraw/zinc/23/57/00/345235700.db2.gz AXNQEIAEBRYKBW-MRVPVSSYSA-N 0 0 179.267 2.135 10 0 AEAERN Cc1cc(N)n([C@@H](C)C2CCC2)n1 306365836 345235784 /nfs/dbraw/zinc/23/57/84/345235784.db2.gz AXNQEIAEBRYKBW-QMMMGPOBSA-N 0 0 179.267 2.135 10 0 AEAERN S=c1cnc(-c2ccncc2)c[nH]1 306365857 345235797 /nfs/dbraw/zinc/23/57/97/345235797.db2.gz ATTNFVKBJRNLJE-UHFFFAOYSA-N 0 0 189.243 2.201 10 0 AEAERN CC[C@H](C)C(=O)N1CCCC1(C)C 306366632 345236229 /nfs/dbraw/zinc/23/62/29/345236229.db2.gz GYNCFQANRDTNTE-VIFPVBQESA-N 0 0 183.295 2.434 10 0 AEAERN c1n[nH]cc1SC1CCCC1 306366856 345236312 /nfs/dbraw/zinc/23/63/12/345236312.db2.gz HDSCLXRXFAZQLF-UHFFFAOYSA-N 0 0 168.265 2.444 10 0 AEAERN CNc1ccc(C(F)F)cc1N 306368202 345237797 /nfs/dbraw/zinc/23/77/97/345237797.db2.gz BPCZRZXGHGZZPM-UHFFFAOYSA-N 0 0 172.178 2.248 10 0 AEAERN OCc1cccc(Cl)c1N1CCC1 306368372 345238043 /nfs/dbraw/zinc/23/80/43/345238043.db2.gz KYIFJVLQYQJCCP-UHFFFAOYSA-N 0 0 197.665 2.042 10 0 AEAERN C[C@@H]1CC[C@@H]1Nc1ccnc(F)c1 306369082 345238320 /nfs/dbraw/zinc/23/83/20/345238320.db2.gz BLOXRZSOISPQQF-APPZFPTMSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@H]1CC[C@H]1Nc1ccnc(F)c1 306369084 345238321 /nfs/dbraw/zinc/23/83/21/345238321.db2.gz BLOXRZSOISPQQF-IONNQARKSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@H]1CC[C@@H]1Nc1ccnc(F)c1 306369083 345238324 /nfs/dbraw/zinc/23/83/24/345238324.db2.gz BLOXRZSOISPQQF-CBAPKCEASA-N 0 0 180.226 2.431 10 0 AEAERN CCc1csc(NCCF)n1 306369055 345238409 /nfs/dbraw/zinc/23/84/09/345238409.db2.gz CVIDBHHAMNUKIC-UHFFFAOYSA-N 0 0 174.244 2.087 10 0 AEAERN C[C@@H]1CC[C@H]1Nc1ccnc(F)c1 306369085 345238513 /nfs/dbraw/zinc/23/85/13/345238513.db2.gz BLOXRZSOISPQQF-VXNVDRBHSA-N 0 0 180.226 2.431 10 0 AEAERN Cc1occc1[C@@H]1NCCCS1 306370351 345238993 /nfs/dbraw/zinc/23/89/93/345238993.db2.gz LYMNZKAOOCDKEU-SECBINFHSA-N 0 0 183.276 2.313 10 0 AEAERN Cc1occc1[C@H]1NCCCS1 306370353 345239015 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306374469 345242136 /nfs/dbraw/zinc/24/21/36/345242136.db2.gz UPNLPGJTBPYGNI-UHFFFAOYSA-N 0 0 180.251 2.432 10 0 AEAERN Cc1nnc(-c2nc(C)sc2C)o1 306374745 345242168 /nfs/dbraw/zinc/24/21/68/345242168.db2.gz VQSCGMOEWIUTCI-UHFFFAOYSA-N 0 0 195.247 2.118 10 0 AEAERN OC[C@@H]1C[C@]23CCC[C@@H]2CC[C@H]13 306375742 345242651 /nfs/dbraw/zinc/24/26/51/345242651.db2.gz MECZBDGLSCELFC-LNFKQOIKSA-N 0 0 166.264 2.195 10 0 AEAERN OC[C@@H]1C[C@]23CCC[C@H]2CC[C@H]13 306375743 345242596 /nfs/dbraw/zinc/24/25/96/345242596.db2.gz MECZBDGLSCELFC-UKKRHICBSA-N 0 0 166.264 2.195 10 0 AEAERN OC[C@@H]1C[C@]23CCC[C@H]2CC[C@@H]13 306375744 345242739 /nfs/dbraw/zinc/24/27/39/345242739.db2.gz MECZBDGLSCELFC-XWLWVQCSSA-N 0 0 166.264 2.195 10 0 AEAERN CC[S@@](C)(=O)=Nc1cccc(N)c1 306376052 345243118 /nfs/dbraw/zinc/24/31/18/345243118.db2.gz UUNJANAPABYKKK-CYBMUJFWSA-N 0 0 198.291 2.018 10 0 AEAERN C[C@@H]1C[C@H]1Nc1cc2cc[nH]c2cn1 306376750 345243731 /nfs/dbraw/zinc/24/37/31/345243731.db2.gz WCWWZGOEKQUMQA-VXNVDRBHSA-N 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/nfs/dbraw/zinc/30/91/20/345309120.db2.gz LECGTTRKIQNVDA-RNFRBKRXSA-N 0 0 181.201 2.327 10 0 AEAERN CC[C@@H]1CCN[C@H](C(F)(F)F)C1 306449122 345309208 /nfs/dbraw/zinc/30/92/08/345309208.db2.gz LECGTTRKIQNVDA-RQJHMYQMSA-N 0 0 181.201 2.327 10 0 AEAERN Cc1ccc(CN2CC(F)C2)s1 306449360 345309447 /nfs/dbraw/zinc/30/94/47/345309447.db2.gz YFACCDKHYGWUDI-UHFFFAOYSA-N 0 0 185.267 2.210 10 0 AEAERN CN(C)c1c(N)ccc(Cl)c1F 306449420 345309528 /nfs/dbraw/zinc/30/95/28/345309528.db2.gz MGDKHPCKWYDKCK-UHFFFAOYSA-N 0 0 188.633 2.127 10 0 AEAERN C(CSc1nc[nH]n1)=C1CCC1 306450061 345310069 /nfs/dbraw/zinc/31/00/69/345310069.db2.gz NTOMLDWITAFGBW-UHFFFAOYSA-N 0 0 181.264 2.007 10 0 AEAERN Cc1cccc2c1NCC(F)(F)CN2 306450202 345310479 /nfs/dbraw/zinc/31/04/79/345310479.db2.gz BULCWKJKZJSJGI-UHFFFAOYSA-N 0 0 198.216 2.468 10 0 AEAERN C1=C[C@H](Nc2ncns2)CCC1 306450117 345310649 /nfs/dbraw/zinc/31/06/49/345310649.db2.gz OHKSVSBBBGOEBD-ZETCQYMHSA-N 0 0 181.264 2.059 10 0 AEAERN C1=C[C@@H](Nc2ncns2)CCC1 306450116 345310755 /nfs/dbraw/zinc/31/07/55/345310755.db2.gz OHKSVSBBBGOEBD-SSDOTTSWSA-N 0 0 181.264 2.059 10 0 AEAERN Cc1coc(N(C)CC(C)C)n1 306450836 345310997 /nfs/dbraw/zinc/31/09/97/345310997.db2.gz QOCYQZWUGXXEAG-UHFFFAOYSA-N 0 0 168.240 2.075 10 0 AEAERN CCNc1cc(OC)c(C)cc1N 306452119 345312703 /nfs/dbraw/zinc/31/27/03/345312703.db2.gz FLGXPHAZPXVELY-UHFFFAOYSA-N 0 0 180.251 2.018 10 0 AEAERN c1ccc(S[C@@H]2CCCO2)nc1 306452373 345312762 /nfs/dbraw/zinc/31/27/62/345312762.db2.gz VFMANBOIKNPFHA-SECBINFHSA-N 0 0 181.260 2.310 10 0 AEAERN CC(C)=CCNc1nc(C)co1 306452341 345312814 /nfs/dbraw/zinc/31/28/14/345312814.db2.gz UXPADYDPPPKLMG-UHFFFAOYSA-N 0 0 166.224 2.361 10 0 AEAERN c1ccc(S[C@H]2CCCO2)nc1 306452375 345312817 /nfs/dbraw/zinc/31/28/17/345312817.db2.gz VFMANBOIKNPFHA-VIFPVBQESA-N 0 0 181.260 2.310 10 0 AEAERN CC(C)CS[C@@H]1C[C@@H](C)OC1=O 306453214 345312978 /nfs/dbraw/zinc/31/29/78/345312978.db2.gz WSLZXVNFTMCULG-HTQZYQBOSA-N 0 0 188.292 2.080 10 0 AEAERN Cc1cccc(N(C)CC2CC2)n1 306453160 345313072 /nfs/dbraw/zinc/31/30/72/345313072.db2.gz NSKRWFFTOIQLRQ-UHFFFAOYSA-N 0 0 176.263 2.236 10 0 AEAERN CC(C)CS[C@@H]1C[C@H](C)OC1=O 306453215 345313122 /nfs/dbraw/zinc/31/31/22/345313122.db2.gz WSLZXVNFTMCULG-JGVFFNPUSA-N 0 0 188.292 2.080 10 0 AEAERN CC(C)CS[C@H]1C[C@H](C)OC1=O 306453218 345313145 /nfs/dbraw/zinc/31/31/45/345313145.db2.gz WSLZXVNFTMCULG-YUMQZZPRSA-N 0 0 188.292 2.080 10 0 AEAERN CC(C)CS[C@H]1C[C@@H](C)OC1=O 306453217 345313169 /nfs/dbraw/zinc/31/31/69/345313169.db2.gz WSLZXVNFTMCULG-SFYZADRCSA-N 0 0 188.292 2.080 10 0 AEAERN Cc1coc(N[C@@H]2CC[C@H](F)C2)n1 306454796 345314431 /nfs/dbraw/zinc/31/44/31/345314431.db2.gz PVFPDYJEDABYAG-JGVFFNPUSA-N 0 0 184.214 2.286 10 0 AEAERN Cc1coc(N[C@H]2CC[C@@H](F)C2)n1 306454797 345314490 /nfs/dbraw/zinc/31/44/90/345314490.db2.gz PVFPDYJEDABYAG-SFYZADRCSA-N 0 0 184.214 2.286 10 0 AEAERN Cc1occc1C1=NC(=O)CS1 306454870 345314510 /nfs/dbraw/zinc/31/45/10/345314510.db2.gz MPSZZZYZGCPKLV-UHFFFAOYSA-N 0 0 181.216 2.417 10 0 AEAERN Cc1coc(N[C@H]2CC[C@H](F)C2)n1 306454798 345314533 /nfs/dbraw/zinc/31/45/33/345314533.db2.gz PVFPDYJEDABYAG-YUMQZZPRSA-N 0 0 184.214 2.286 10 0 AEAERN CC(C)(C)Nc1ncc(Cl)cn1 306454489 345314579 /nfs/dbraw/zinc/31/45/79/345314579.db2.gz LKGPOFYKYNGFPB-UHFFFAOYSA-N 0 0 185.658 2.340 10 0 AEAERN C[C@@H]1CCCC[C@]1(O)c1ccc[nH]1 306455234 345314879 /nfs/dbraw/zinc/31/48/79/345314879.db2.gz NKPRRWWCHOIHRY-MWLCHTKSSA-N 0 0 179.263 2.412 10 0 AEAERN C[C@H]1CCCC[C@]1(O)c1ccc[nH]1 306455232 345314881 /nfs/dbraw/zinc/31/48/81/345314881.db2.gz NKPRRWWCHOIHRY-GXSJLCMTSA-N 0 0 179.263 2.412 10 0 AEAERN c1ccc(N[C@H]2C[C@H]2C2CC2)nc1 306455409 345314890 /nfs/dbraw/zinc/31/48/90/345314890.db2.gz QPNMIUPLAUQKRW-UWVGGRQHSA-N 0 0 174.247 2.292 10 0 AEAERN Cc1cc(-c2ncccc2N)sn1 306455385 345314983 /nfs/dbraw/zinc/31/49/83/345314983.db2.gz QMTJOBAKCMJJSK-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN c1ccc(N[C@@H]2C[C@@H]2C2CC2)nc1 306455408 345315018 /nfs/dbraw/zinc/31/50/18/345315018.db2.gz 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/nfs/dbraw/zinc/31/60/34/345316034.db2.gz SBBJSEDKFASIEQ-UHFFFAOYSA-N 0 0 179.263 2.412 10 0 AEAERN C/C=C(/C)CNc1cccnc1 306456688 345316391 /nfs/dbraw/zinc/31/63/91/345316391.db2.gz TVFJTPLBFMKGNY-OQFOIZHKSA-N 0 0 162.236 2.460 10 0 AEAERN CC[C@H](O)c1[nH]cc(C)c1C 306456878 345316454 /nfs/dbraw/zinc/31/64/54/345316454.db2.gz UHBUKLRXFCODOC-QMMMGPOBSA-N 0 0 153.225 2.075 10 0 AEAERN c1cn(COC2CCCCC2)cn1 306456836 345316504 /nfs/dbraw/zinc/31/65/04/345316504.db2.gz WRBBYVHJEIOCPI-UHFFFAOYSA-N 0 0 180.251 2.190 10 0 AEAERN CC[C@H]1CCC[C@@]1(O)c1ccc[nH]1 306457141 345316840 /nfs/dbraw/zinc/31/68/40/345316840.db2.gz YELOXAVTOLIHIS-ONGXEEELSA-N 0 0 179.263 2.412 10 0 AEAERN CC(C)(C)C(C)(C)CNC#N 306457355 345316869 /nfs/dbraw/zinc/31/68/69/345316869.db2.gz VHSGXBXLCSCIJX-UHFFFAOYSA-N 0 0 154.257 2.129 10 0 AEAERN CC(C)C1CC(O)(c2ccc[nH]2)C1 306457461 345316932 /nfs/dbraw/zinc/31/69/32/345316932.db2.gz ZNOOCZGYIMXXIA-UHFFFAOYSA-N 0 0 179.263 2.268 10 0 AEAERN CC[C@H]1CCC[C@]1(O)c1ccc[nH]1 306457138 345316967 /nfs/dbraw/zinc/31/69/67/345316967.db2.gz YELOXAVTOLIHIS-GXSJLCMTSA-N 0 0 179.263 2.412 10 0 AEAERN CC[C@@H]1CCC[C@@]1(O)c1ccc[nH]1 306457139 345317036 /nfs/dbraw/zinc/31/70/36/345317036.db2.gz YELOXAVTOLIHIS-KOLCDFICSA-N 0 0 179.263 2.412 10 0 AEAERN CC[C@@H]1CCC[C@]1(O)c1ccc[nH]1 306457140 345317096 /nfs/dbraw/zinc/31/70/96/345317096.db2.gz YELOXAVTOLIHIS-MWLCHTKSSA-N 0 0 179.263 2.412 10 0 AEAERN C[C@H]1CC[C@@H]1Nc1cccnc1 306457827 345317429 /nfs/dbraw/zinc/31/74/29/345317429.db2.gz WNNCWHSVBBRJHW-WPRPVWTQSA-N 0 0 162.236 2.292 10 0 AEAERN C[C@H]1CC[C@H]1Nc1cccnc1 306457826 345317439 /nfs/dbraw/zinc/31/74/39/345317439.db2.gz WNNCWHSVBBRJHW-WCBMZHEXSA-N 0 0 162.236 2.292 10 0 AEAERN C[C@@H]1CC[C@@H]1Nc1cccnc1 306457825 345317586 /nfs/dbraw/zinc/31/75/86/345317586.db2.gz WNNCWHSVBBRJHW-SCZZXKLOSA-N 0 0 162.236 2.292 10 0 AEAERN Cc1cccc(-c2ccc[nH]2)n1 306458170 345317589 /nfs/dbraw/zinc/31/75/89/345317589.db2.gz XYZRUBHJEFRXIJ-UHFFFAOYSA-N 0 0 158.204 2.385 10 0 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AEAERN CC(C)(C)SCc1ncc[nH]1 306459968 345319210 /nfs/dbraw/zinc/31/92/10/345319210.db2.gz FFEXVLAFPYNUTM-UHFFFAOYSA-N 0 0 170.281 2.441 10 0 AEAERN C/C=C1\CCC[C@@H]1C(C)=O 306459604 345319503 /nfs/dbraw/zinc/31/95/03/345319503.db2.gz HHLUUUWWYHEUDF-QZGLAHODSA-N 0 0 138.210 2.322 10 0 AEAERN C[C@H]1CC[C@H]1Nc1ncncc1Cl 306460512 345319675 /nfs/dbraw/zinc/31/96/75/345319675.db2.gz CIHBGSFJTLFHSF-POYBYMJQSA-N 0 0 197.669 2.340 10 0 AEAERN CCNc1ncc(Cl)cc1C 306460066 345319678 /nfs/dbraw/zinc/31/96/78/345319678.db2.gz HOUIACGSJCUFJM-UHFFFAOYSA-N 0 0 170.643 2.475 10 0 AEAERN C[C@H]1CC[C@@H]1Nc1ncncc1Cl 306460517 345319764 /nfs/dbraw/zinc/31/97/64/345319764.db2.gz CIHBGSFJTLFHSF-XPUUQOCRSA-N 0 0 197.669 2.340 10 0 AEAERN C[C@@H]1CC[C@@H]1Nc1ncncc1Cl 306460515 345319869 /nfs/dbraw/zinc/31/98/69/345319869.db2.gz CIHBGSFJTLFHSF-SVRRBLITSA-N 0 0 197.669 2.340 10 0 AEAERN C[C@@H]1CC[C@H]1Nc1ncncc1Cl 306460509 345319932 /nfs/dbraw/zinc/31/99/32/345319932.db2.gz CIHBGSFJTLFHSF-HTRCEHHLSA-N 0 0 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0 180.226 2.431 10 0 AEAERN CC(C)C(C(C)C)C1(O)CC1 306538932 345412747 /nfs/dbraw/zinc/41/27/47/345412747.db2.gz MPDKAPABUJOAKN-UHFFFAOYSA-N 0 0 156.269 2.440 10 0 AEAERN C[C@H]1CC[C@H]1Nc1cncc(F)c1 306538888 345412795 /nfs/dbraw/zinc/41/27/95/345412795.db2.gz UHFMBQNLFVUAOU-OIBJUYFYSA-N 0 0 180.226 2.431 10 0 AEAERN Cc1cc(C(=O)N[C@H]2C[C@H]2C)cs1 306539027 345412823 /nfs/dbraw/zinc/41/28/23/345412823.db2.gz POVQCDIKXFMFKS-MUWHJKNJSA-N 0 0 195.287 2.195 10 0 AEAERN Cc1cc(C(=O)N[C@@H]2C[C@H]2C)cs1 306539024 345412897 /nfs/dbraw/zinc/41/28/97/345412897.db2.gz POVQCDIKXFMFKS-HZGVNTEJSA-N 0 0 195.287 2.195 10 0 AEAERN Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)cs1 306539026 345412907 /nfs/dbraw/zinc/41/29/07/345412907.db2.gz POVQCDIKXFMFKS-IMTBSYHQSA-N 0 0 195.287 2.195 10 0 AEAERN COc1cc(SC)c(N)cc1C 306539357 345413191 /nfs/dbraw/zinc/41/31/91/345413191.db2.gz UWKDJHHLGJSTJQ-UHFFFAOYSA-N 0 0 183.276 2.308 10 0 AEAERN CC(C)C(=O)C[C@@H]1CCC[C@]1(C)O 306539149 345413240 /nfs/dbraw/zinc/41/32/40/345413240.db2.gz UNJJCRYVDSNAOO-ONGXEEELSA-N 0 0 184.279 2.153 10 0 AEAERN CC(C)C(=O)C[C@H]1CCC[C@@]1(C)O 306539148 345413307 /nfs/dbraw/zinc/41/33/07/345413307.db2.gz UNJJCRYVDSNAOO-MWLCHTKSSA-N 0 0 184.279 2.153 10 0 AEAERN CC(C)C(=O)C[C@H]1CCC[C@]1(C)O 306539147 345413426 /nfs/dbraw/zinc/41/34/26/345413426.db2.gz UNJJCRYVDSNAOO-KOLCDFICSA-N 0 0 184.279 2.153 10 0 AEAERN CC(C)C(=O)C[C@@H]1CCC[C@@]1(C)O 306539146 345413457 /nfs/dbraw/zinc/41/34/57/345413457.db2.gz UNJJCRYVDSNAOO-GXSJLCMTSA-N 0 0 184.279 2.153 10 0 AEAERN Cc1noc(C)c1NCC(C)C 306539626 345413652 /nfs/dbraw/zinc/41/36/52/345413652.db2.gz VHEGKYLLAZPPFG-UHFFFAOYSA-N 0 0 168.240 2.359 10 0 AEAERN C[C@@H]1CC[C@@H](C(=O)c2cn(C)cn2)C1 306539722 345413655 /nfs/dbraw/zinc/41/36/55/345413655.db2.gz NSZURPWZEXVRMJ-RKDXNWHRSA-N 0 0 192.262 2.039 10 0 AEAERN C[C@@H]1CC[C@H](C(=O)c2cn(C)cn2)C1 306539719 345413702 /nfs/dbraw/zinc/41/37/02/345413702.db2.gz NSZURPWZEXVRMJ-BDAKNGLRSA-N 0 0 192.262 2.039 10 0 AEAERN C[C@@H]1SCCC[C@@]1(O)c1ccc[nH]1 306539634 345413733 /nfs/dbraw/zinc/41/37/33/345413733.db2.gz VHZMLNRRVOYVPH-WPRPVWTQSA-N 0 0 197.303 2.118 10 0 AEAERN C[C@H]1SCCC[C@]1(O)c1ccc[nH]1 306539629 345413759 /nfs/dbraw/zinc/41/37/59/345413759.db2.gz VHZMLNRRVOYVPH-PSASIEDQSA-N 0 0 197.303 2.118 10 0 AEAERN C[C@H]1CC[C@@H](C(=O)c2cn(C)cn2)C1 306539720 345413777 /nfs/dbraw/zinc/41/37/77/345413777.db2.gz NSZURPWZEXVRMJ-DTWKUNHWSA-N 0 0 192.262 2.039 10 0 AEAERN C[C@@H]1SCCC[C@]1(O)c1ccc[nH]1 306539632 345413789 /nfs/dbraw/zinc/41/37/89/345413789.db2.gz VHZMLNRRVOYVPH-WCBMZHEXSA-N 0 0 197.303 2.118 10 0 AEAERN C[C@H]1CC[C@H](C(=O)c2cn(C)cn2)C1 306539721 345413866 /nfs/dbraw/zinc/41/38/66/345413866.db2.gz NSZURPWZEXVRMJ-IUCAKERBSA-N 0 0 192.262 2.039 10 0 AEAERN C[C@H]1SCCC[C@@]1(O)c1ccc[nH]1 306539631 345413949 /nfs/dbraw/zinc/41/39/49/345413949.db2.gz VHZMLNRRVOYVPH-SCZZXKLOSA-N 0 0 197.303 2.118 10 0 AEAERN C/C=C/C(=O)N[C@@H](C)c1ccoc1 306539887 345413977 /nfs/dbraw/zinc/41/39/77/345413977.db2.gz OGDSOOYGAHYUSD-RTMURIBGSA-N 0 0 179.219 2.033 10 0 AEAERN Cc1cc(CC[C@H](C)O)cnc1C 306539943 345414231 /nfs/dbraw/zinc/41/42/31/345414231.db2.gz VNIWQKQRMVFLRQ-VIFPVBQESA-N 0 0 179.263 2.012 10 0 AEAERN Cc1cc(CC[C@@H](C)O)cnc1C 306539942 345414315 /nfs/dbraw/zinc/41/43/15/345414315.db2.gz VNIWQKQRMVFLRQ-SECBINFHSA-N 0 0 179.263 2.012 10 0 AEAERN CCC(C)(C)[C@@H](O)C1=COCC1 306540654 345414657 /nfs/dbraw/zinc/41/46/57/345414657.db2.gz WNJHQWGNQXJKNZ-VIFPVBQESA-N 0 0 170.252 2.088 10 0 AEAERN CC(C)c1c(N)n[nH]c1C1(C)CC1 306541712 345415453 /nfs/dbraw/zinc/41/54/53/345415453.db2.gz XXALJFWXODHCOP-UHFFFAOYSA-N 0 0 179.267 2.167 10 0 AEAERN CCCCNc1nc(Cl)ns1 306541610 345415616 /nfs/dbraw/zinc/41/56/16/345415616.db2.gz PXZHMBDUYAOHFB-UHFFFAOYSA-N 0 0 191.687 2.404 10 0 AEAERN CCC(=O)NCc1cc(C)sc1C 306541621 345415740 /nfs/dbraw/zinc/41/57/40/345415740.db2.gz PYJSCAYWWYRPKR-UHFFFAOYSA-N 0 0 197.303 2.391 10 0 AEAERN COC1(c2ncsc2N)CCCC1 306541997 345415995 /nfs/dbraw/zinc/41/59/95/345415995.db2.gz QCKYAFQTTJZYCM-UHFFFAOYSA-N 0 0 198.291 2.141 10 0 AEAERN Cc1cnc(-c2cscn2)c(N)c1 306541849 345416239 /nfs/dbraw/zinc/41/62/39/345416239.db2.gz UGAHCJOCZOSIKF-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1nnc(NC[C@@H](C)C(C)C)o1 306542718 345416525 /nfs/dbraw/zinc/41/65/25/345416525.db2.gz RCMQEFYGLHQCQF-SSDOTTSWSA-N 0 0 183.255 2.082 10 0 AEAERN COc1cnc(C2CC2)[nH]c1=S 306542302 345416680 /nfs/dbraw/zinc/41/66/80/345416680.db2.gz VABPIYGHOVIEFO-UHFFFAOYSA-N 0 0 182.248 2.025 10 0 AEAERN Cc1nnc(NC[C@H](C)C(C)C)o1 306542720 345416711 /nfs/dbraw/zinc/41/67/11/345416711.db2.gz RCMQEFYGLHQCQF-ZETCQYMHSA-N 0 0 183.255 2.082 10 0 AEAERN CSC[C@H](O)c1cnc(C)c(C)c1 306543011 345417136 /nfs/dbraw/zinc/41/71/36/345417136.db2.gz ZOAMPRRMEPJLRR-JTQLQIEISA-N 0 0 197.303 2.095 10 0 AEAERN O=C(c1ccc[nH]1)[C@@H]1CCCCS1 306543062 345417264 /nfs/dbraw/zinc/41/72/64/345417264.db2.gz ZRNYAGBMTIOCBO-VIFPVBQESA-N 0 0 195.287 2.483 10 0 AEAERN O=C(c1ccc[nH]1)[C@H]1CCCCS1 306543060 345417275 /nfs/dbraw/zinc/41/72/75/345417275.db2.gz ZRNYAGBMTIOCBO-SECBINFHSA-N 0 0 195.287 2.483 10 0 AEAERN CC1(NC(=O)Nc2cccs2)CC1 306543378 345417608 /nfs/dbraw/zinc/41/76/08/345417608.db2.gz SEYJRJJMHKPTKS-UHFFFAOYSA-N 0 0 196.275 2.422 10 0 AEAERN Cn1ccc(N[C@H]2CCC23CCC3)n1 306544124 345418051 /nfs/dbraw/zinc/41/80/51/345418051.db2.gz UJMHDLHZJCDPJH-VIFPVBQESA-N 0 0 191.278 2.165 10 0 AEAERN Cc1nnc(NCC2CCCCC2)o1 306543886 345418080 /nfs/dbraw/zinc/41/80/80/345418080.db2.gz TVIKRRJPLUYTGI-UHFFFAOYSA-N 0 0 195.266 2.370 10 0 AEAERN Cn1ccc(N[C@@H]2CCC23CCC3)n1 306544123 345418292 /nfs/dbraw/zinc/41/82/92/345418292.db2.gz UJMHDLHZJCDPJH-SECBINFHSA-N 0 0 191.278 2.165 10 0 AEAERN C/C=C/C(=O)N(C)[C@@H]1CC[C@@H](C)C1 306544568 345418860 /nfs/dbraw/zinc/41/88/60/345418860.db2.gz VCQLWOXGPUQMAA-NUNSBDKSSA-N 0 0 181.279 2.210 10 0 AEAERN C/C=C/C(=O)N(C)[C@@H]1CC[C@H](C)C1 306544569 345418901 /nfs/dbraw/zinc/41/89/01/345418901.db2.gz VCQLWOXGPUQMAA-OCIBVNFRSA-N 0 0 181.279 2.210 10 0 AEAERN CC(=O)NCc1cc(C)sc1C 306545072 345419407 /nfs/dbraw/zinc/41/94/07/345419407.db2.gz CPQQEDTYGJJSHB-UHFFFAOYSA-N 0 0 183.276 2.001 10 0 AEAERN CCn1ccnc1-n1c(C)ccc1C 306545410 345420008 /nfs/dbraw/zinc/42/00/08/345420008.db2.gz AWLXUUKYOTWYJB-UHFFFAOYSA-N 0 0 189.262 2.311 10 0 AEAERN C[C@@H]1CC[C@@H]1[NH2+]Cc1cccnc1F 306545887 345420352 /nfs/dbraw/zinc/42/03/52/345420352.db2.gz AZYBKVNDQNKFGA-SCZZXKLOSA-N 0 0 194.253 2.109 10 0 AEAERN C/C=C(/C)C(=O)NC1(C)CCC1 306546186 345420442 /nfs/dbraw/zinc/42/04/42/345420442.db2.gz BJMDFJJGQUTFMI-YWEYNIOJSA-N 0 0 167.252 2.011 10 0 AEAERN C[C@@H]1CC[C@H]1[NH2+]Cc1cccnc1F 306545878 345420468 /nfs/dbraw/zinc/42/04/68/345420468.db2.gz AZYBKVNDQNKFGA-PSASIEDQSA-N 0 0 194.253 2.109 10 0 AEAERN C[C@H]1CC[C@H]1[NH2+]Cc1cccnc1F 306545895 345420515 /nfs/dbraw/zinc/42/05/15/345420515.db2.gz AZYBKVNDQNKFGA-WCBMZHEXSA-N 0 0 194.253 2.109 10 0 AEAERN Cc1nnc(NCCC2(F)CCC2)o1 306545919 345420545 /nfs/dbraw/zinc/42/05/45/345420545.db2.gz WJZWKPDKGWNSAA-UHFFFAOYSA-N 0 0 199.229 2.072 10 0 AEAERN [NH3+]C1(c2ncns2)CCCCCC1 306545952 345420604 /nfs/dbraw/zinc/42/06/04/345420604.db2.gz DVBDAIZZTPRHSB-UHFFFAOYSA-N 0 0 197.307 2.046 10 0 AEAERN C[C@H]1CC[C@@H]1[NH2+]Cc1cccnc1F 306545902 345420669 /nfs/dbraw/zinc/42/06/69/345420669.db2.gz AZYBKVNDQNKFGA-WPRPVWTQSA-N 0 0 194.253 2.109 10 0 AEAERN CC(=O)C[C@@H](C)c1ccc[nH]1 306546441 345420936 /nfs/dbraw/zinc/42/09/36/345420936.db2.gz DXMLZQBPIFRODK-SSDOTTSWSA-N 0 0 151.209 2.097 10 0 AEAERN CCNc1cc(F)ccc1C(C)=O 306546506 345420959 /nfs/dbraw/zinc/42/09/59/345420959.db2.gz DJYFZOUEFYDIPV-UHFFFAOYSA-N 0 0 181.210 2.460 10 0 AEAERN CC(=O)C[C@H](C)c1ccc[nH]1 306546451 345420982 /nfs/dbraw/zinc/42/09/82/345420982.db2.gz DXMLZQBPIFRODK-ZETCQYMHSA-N 0 0 151.209 2.097 10 0 AEAERN CC(C)(C)CC(=O)Nc1cnoc1 306546316 345421157 /nfs/dbraw/zinc/42/11/57/345421157.db2.gz WNWLPFATBBGBLN-UHFFFAOYSA-N 0 0 182.223 2.049 10 0 AEAERN CC[C@]1(C)C[C@H]1NC(=O)NC1CCC1 306547582 345422363 /nfs/dbraw/zinc/42/23/63/345422363.db2.gz BCYZTHWAMYARDZ-MWLCHTKSSA-N 0 0 196.294 2.027 10 0 AEAERN CC[C@@]1(C)C[C@H]1NC(=O)NC1CCC1 306547581 345422491 /nfs/dbraw/zinc/42/24/91/345422491.db2.gz BCYZTHWAMYARDZ-KOLCDFICSA-N 0 0 196.294 2.027 10 0 AEAERN CC[C@@]1(C)C[C@@H]1NC(=O)NC1CCC1 306547583 345422709 /nfs/dbraw/zinc/42/27/09/345422709.db2.gz BCYZTHWAMYARDZ-ONGXEEELSA-N 0 0 196.294 2.027 10 0 AEAERN CC[C@]1(C)C[C@@H]1NC(=O)NC1CCC1 306547580 345422722 /nfs/dbraw/zinc/42/27/22/345422722.db2.gz BCYZTHWAMYARDZ-GXSJLCMTSA-N 0 0 196.294 2.027 10 0 AEAERN CC1(C(=O)OC2CC2)CCCC1 306548079 345422740 /nfs/dbraw/zinc/42/27/40/345422740.db2.gz NHCHWFAIYOZGKN-UHFFFAOYSA-N 0 0 168.236 2.272 10 0 AEAERN OC[C@@]1(CC2=CCCC2)CCCCO1 306548462 345422862 /nfs/dbraw/zinc/42/28/62/345422862.db2.gz BQMVTQPBSJTQAN-LBPRGKRZSA-N 0 0 196.290 2.418 10 0 AEAERN OC[C@]1(CC2=CCCC2)CCCCO1 306548461 345423101 /nfs/dbraw/zinc/42/31/01/345423101.db2.gz BQMVTQPBSJTQAN-GFCCVEGCSA-N 0 0 196.290 2.418 10 0 AEAERN CCNc1cc(CC)c(C2CC2)nn1 306548239 345423194 /nfs/dbraw/zinc/42/31/94/345423194.db2.gz CPQJQTHALVWFPR-UHFFFAOYSA-N 0 0 191.278 2.348 10 0 AEAERN CCn1cnc(C2(O)CCCCC2)c1 306548916 345423461 /nfs/dbraw/zinc/42/34/61/345423461.db2.gz YCWXTFHUHXKLAP-UHFFFAOYSA-N 0 0 194.278 2.055 10 0 AEAERN COC1(/C=C/[C@@H](C)O)CCCCC1 306548799 345423632 /nfs/dbraw/zinc/42/36/32/345423632.db2.gz XUHVSZRRUCDICP-OLKPEBQYSA-N 0 0 184.279 2.273 10 0 AEAERN COC1(/C=C/[C@H](C)O)CCCCC1 306548800 345423659 /nfs/dbraw/zinc/42/36/59/345423659.db2.gz XUHVSZRRUCDICP-ZKXNXJMVSA-N 0 0 184.279 2.273 10 0 AEAERN Cc1cscc1C(=O)N1CC(C)C1 306549412 345424084 /nfs/dbraw/zinc/42/40/84/345424084.db2.gz YKXHVHIVSCPFSO-UHFFFAOYSA-N 0 0 195.287 2.148 10 0 AEAERN Cc1cc(N)n(C[C@H](C)C(C)(C)C)n1 306549867 345424764 /nfs/dbraw/zinc/42/47/64/345424764.db2.gz DUVUZBDNRHDDJI-QMMMGPOBSA-N 0 0 195.310 2.456 10 0 AEAERN CCOc1cc(F)c(C)cc1N 306549839 345424656 /nfs/dbraw/zinc/42/46/56/345424656.db2.gz HFJWKGGQXYTRMU-UHFFFAOYSA-N 0 0 169.199 2.115 10 0 AEAERN CC1(OC(=O)C2CC2)CCCC1 306549569 345424665 /nfs/dbraw/zinc/42/46/65/345424665.db2.gz REZHPZPHQNCDGF-UHFFFAOYSA-N 0 0 168.236 2.272 10 0 AEAERN Cc1cc(N)n(C[C@@H](C)C(C)(C)C)n1 306549866 345424718 /nfs/dbraw/zinc/42/47/18/345424718.db2.gz DUVUZBDNRHDDJI-MRVPVSSYSA-N 0 0 195.310 2.456 10 0 AEAERN C[C@H](NC1(C)CCC1)C(F)(F)F 306549656 345424744 /nfs/dbraw/zinc/42/47/44/345424744.db2.gz SPOXQSYLHFTWMV-LURJTMIESA-N 0 0 181.201 2.469 10 0 AEAERN C[C@H](c1ccoc1)[NH+]1CCCC1 306550178 345425188 /nfs/dbraw/zinc/42/51/88/345425188.db2.gz SSVCDPLIQCVGDG-SECBINFHSA-N 0 0 165.236 2.436 10 0 AEAERN C[C@@H](c1ccoc1)[NH+]1CCCC1 306550179 345425319 /nfs/dbraw/zinc/42/53/19/345425319.db2.gz SSVCDPLIQCVGDG-VIFPVBQESA-N 0 0 165.236 2.436 10 0 AEAERN C[C@H](c1noc(C2CC2)n1)C1CC1 306550562 345426125 /nfs/dbraw/zinc/42/61/25/345426125.db2.gz FHGWRBLKUJMQPL-LURJTMIESA-N 0 0 178.235 2.461 10 0 AEAERN COC(C)(C)CNc1cccnc1C 306550745 345426214 /nfs/dbraw/zinc/42/62/14/345426214.db2.gz ZQJZUNKAAMIDIK-UHFFFAOYSA-N 0 0 194.278 2.227 10 0 AEAERN CC(C)[C@@H](C)[C@@H]1CSCC1=O 306551169 345426479 /nfs/dbraw/zinc/42/64/79/345426479.db2.gz ZUMFHCQRRAPRBG-SFYZADRCSA-N 0 0 172.293 2.211 10 0 AEAERN CC(C)[C@@H](C)[C@H]1CSCC1=O 306551165 345426592 /nfs/dbraw/zinc/42/65/92/345426592.db2.gz ZUMFHCQRRAPRBG-HTQZYQBOSA-N 0 0 172.293 2.211 10 0 AEAERN CC(C)[C@H](C)[C@H]1CSCC1=O 306551167 345426721 /nfs/dbraw/zinc/42/67/21/345426721.db2.gz ZUMFHCQRRAPRBG-JGVFFNPUSA-N 0 0 172.293 2.211 10 0 AEAERN CC(C)[C@H](C)[C@@H]1CSCC1=O 306551171 345426731 /nfs/dbraw/zinc/42/67/31/345426731.db2.gz ZUMFHCQRRAPRBG-YUMQZZPRSA-N 0 0 172.293 2.211 10 0 AEAERN O=Cc1cccn1[C@@H]1CCCOCC1 306551377 345427188 /nfs/dbraw/zinc/42/71/88/345427188.db2.gz AFNYBDTYNBLOTK-SNVBAGLBSA-N 0 0 193.246 2.042 10 0 AEAERN O=Cc1cccn1[C@H]1CCCOCC1 306551374 345427229 /nfs/dbraw/zinc/42/72/29/345427229.db2.gz AFNYBDTYNBLOTK-JTQLQIEISA-N 0 0 193.246 2.042 10 0 AEAERN CC(=O)c1cn(CC(C)C)c(C)n1 306552109 345427499 /nfs/dbraw/zinc/42/74/99/345427499.db2.gz ATKCWUUICMRHJL-UHFFFAOYSA-N 0 0 180.251 2.050 10 0 AEAERN Cc1sc(=NN)[nH]c1[C@@H]1CC1(C)C 306551921 345427611 /nfs/dbraw/zinc/42/76/11/345427611.db2.gz CYQARNLHHOQROY-LURJTMIESA-N 0 0 197.307 2.251 10 0 AEAERN Cc1cc(C)c(C(=O)C2CC2)cn1 306551954 345427659 /nfs/dbraw/zinc/42/76/59/345427659.db2.gz DBGRXZRWAXGQBC-UHFFFAOYSA-N 0 0 175.231 2.291 10 0 AEAERN Cc1sc(=NN)[nH]c1[C@H]1CC1(C)C 306551922 345427663 /nfs/dbraw/zinc/42/76/63/345427663.db2.gz CYQARNLHHOQROY-ZCFIWIBFSA-N 0 0 197.307 2.251 10 0 AEAERN C[C@H](O)c1cc(F)ccc1N1CCC1 306551869 345427770 /nfs/dbraw/zinc/42/77/70/345427770.db2.gz ARVJGFWWEYMWDP-QMMMGPOBSA-N 0 0 195.237 2.089 10 0 AEAERN C[C@H](c1ccccc1F)[S@](C)=O 306552522 345428081 /nfs/dbraw/zinc/42/80/81/345428081.db2.gz ZSDCGUWGDZQQJZ-KRTXAFLBSA-N 0 0 186.251 2.265 10 0 AEAERN O=Cc1cnc(F)cc1C(F)(F)F 306552636 345428102 /nfs/dbraw/zinc/42/81/02/345428102.db2.gz AVSCJEISQYWDBG-UHFFFAOYSA-N 0 0 193.099 2.052 10 0 AEAERN C[C@@H](c1ccccc1F)[S@](C)=O 306552523 345428232 /nfs/dbraw/zinc/42/82/32/345428232.db2.gz ZSDCGUWGDZQQJZ-MADCSZMMSA-N 0 0 186.251 2.265 10 0 AEAERN C[C@H](c1ccccc1F)[S@@](C)=O 306552520 345428234 /nfs/dbraw/zinc/42/82/34/345428234.db2.gz ZSDCGUWGDZQQJZ-JMCQJSRRSA-N 0 0 186.251 2.265 10 0 AEAERN C[C@@H](c1ccccc1F)[S@@](C)=O 306552521 345428254 /nfs/dbraw/zinc/42/82/54/345428254.db2.gz ZSDCGUWGDZQQJZ-JVXZTZIISA-N 0 0 186.251 2.265 10 0 AEAERN CC(C)=CC[N@@H+]1CCS[C@@H](C)C1 306552390 345428373 /nfs/dbraw/zinc/42/83/73/345428373.db2.gz YDXIFWATCJJHIF-JTQLQIEISA-N 0 0 185.336 2.390 10 0 AEAERN Nc1c(F)cccc1NCCCF 306553411 345429020 /nfs/dbraw/zinc/42/90/20/345429020.db2.gz BGPMHKATGIIAJW-UHFFFAOYSA-N 0 0 186.205 2.179 10 0 AEAERN Fc1cc(OC(F)F)c(Cl)cn1 306553447 345429029 /nfs/dbraw/zinc/42/90/29/345429029.db2.gz BKYKFBXAMSKTPR-UHFFFAOYSA-N 0 0 197.543 2.476 10 0 AEAERN Cc1cnnc(NC2(C(C)C)CC2)c1 306553697 345429044 /nfs/dbraw/zinc/42/90/44/345429044.db2.gz GRYOUNSYXDISTD-UHFFFAOYSA-N 0 0 191.278 2.386 10 0 AEAERN O=c1cc[nH]c(C2=CCCC2)c1 306553638 345429062 /nfs/dbraw/zinc/42/90/62/345429062.db2.gz DNCHGYCLBUUIIR-UHFFFAOYSA-N 0 0 161.204 2.355 10 0 AEAERN CCC1(Nc2nccnc2Cl)CC1 306553841 345429359 /nfs/dbraw/zinc/42/93/59/345429359.db2.gz BMWXRKRCCREHAG-UHFFFAOYSA-N 0 0 197.669 2.485 10 0 AEAERN Cc1cc(-c2cncc(N)c2)sn1 306554347 345430044 /nfs/dbraw/zinc/43/00/44/345430044.db2.gz FJEOQCGRMQKRBK-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1nccn1COC1CCCCC1 306554654 345430171 /nfs/dbraw/zinc/43/01/71/345430171.db2.gz BVCZJOFNHPSOQG-UHFFFAOYSA-N 0 0 194.278 2.498 10 0 AEAERN Cc1nc(CC2CCCC2)ncc1N 306554551 345430242 /nfs/dbraw/zinc/43/02/42/345430242.db2.gz HBZSXOYECBYRFW-UHFFFAOYSA-N 0 0 191.278 2.100 10 0 AEAERN CC(C)[C@H](C)[C@@]1(O)CSC[C@H]1C 306555268 345430536 /nfs/dbraw/zinc/43/05/36/345430536.db2.gz BTOMYOMGFPQNMF-KXUCPTDWSA-N 0 0 188.336 2.393 10 0 AEAERN CC[S@@](=O)[C@@H]1CCc2ccccc21 306554951 345430556 /nfs/dbraw/zinc/43/05/56/345430556.db2.gz KHNJGVPRVBUDBZ-DGCLKSJQSA-N 0 0 194.299 2.443 10 0 AEAERN Fc1cncc(OC(F)F)c1Cl 306554851 345430600 /nfs/dbraw/zinc/43/06/00/345430600.db2.gz CDNVEFBYMNEDON-UHFFFAOYSA-N 0 0 197.543 2.476 10 0 AEAERN CC[S@@](=O)[C@H]1CCc2ccccc21 306554952 345430684 /nfs/dbraw/zinc/43/06/84/345430684.db2.gz KHNJGVPRVBUDBZ-WCQYABFASA-N 0 0 194.299 2.443 10 0 AEAERN O[C@@H]1/C=C/CCCC[C@@H]2C[C@@H]12 306554883 345430636 /nfs/dbraw/zinc/43/06/36/345430636.db2.gz CGKKWVJEJNGFJG-HWQOSSPSSA-N 0 0 152.237 2.114 10 0 AEAERN CC(C)[C@H](C)[C@]1(O)CSC[C@H]1C 306555270 345430648 /nfs/dbraw/zinc/43/06/48/345430648.db2.gz BTOMYOMGFPQNMF-UTLUCORTSA-N 0 0 188.336 2.393 10 0 AEAERN C[C@H](c1cccc(F)c1)N(C)C#N 306554885 345430692 /nfs/dbraw/zinc/43/06/92/345430692.db2.gz CHFHOXPBORJWSA-MRVPVSSYSA-N 0 0 178.210 2.300 10 0 AEAERN CC(C)[C@H](C)[C@]1(O)CSC[C@@H]1C 306555267 345430750 /nfs/dbraw/zinc/43/07/50/345430750.db2.gz BTOMYOMGFPQNMF-GUBZILKMSA-N 0 0 188.336 2.393 10 0 AEAERN CC(C)[C@H](C)[C@@]1(O)CSC[C@@H]1C 306555269 345430760 /nfs/dbraw/zinc/43/07/60/345430760.db2.gz BTOMYOMGFPQNMF-LPEHRKFASA-N 0 0 188.336 2.393 10 0 AEAERN C[C@@H](c1cccc(F)c1)N(C)C#N 306554886 345430763 /nfs/dbraw/zinc/43/07/63/345430763.db2.gz CHFHOXPBORJWSA-QMMMGPOBSA-N 0 0 178.210 2.300 10 0 AEAERN CC[S@](=O)[C@@H]1CCc2ccccc21 306554953 345430815 /nfs/dbraw/zinc/43/08/15/345430815.db2.gz KHNJGVPRVBUDBZ-YPMHNXCESA-N 0 0 194.299 2.443 10 0 AEAERN O[C@@H]1/C=C/CCCC[C@H]2C[C@H]12 306554882 345430817 /nfs/dbraw/zinc/43/08/17/345430817.db2.gz CGKKWVJEJNGFJG-GELFEGHDSA-N 0 0 152.237 2.114 10 0 AEAERN O[C@@H]1/C=C/CCCC[C@H]2C[C@@H]12 306554884 345430841 /nfs/dbraw/zinc/43/08/41/345430841.db2.gz CGKKWVJEJNGFJG-SRNCSDOOSA-N 0 0 152.237 2.114 10 0 AEAERN CCNc1nncc(Cl)c1Cl 306554984 345430857 /nfs/dbraw/zinc/43/08/57/345430857.db2.gz KPTCDUCIPKUJQI-UHFFFAOYSA-N 0 0 192.049 2.215 10 0 AEAERN CC[S@](=O)[C@H]1CCc2ccccc21 306554950 345430882 /nfs/dbraw/zinc/43/08/82/345430882.db2.gz KHNJGVPRVBUDBZ-AAEUAGOBSA-N 0 0 194.299 2.443 10 0 AEAERN Nc1cc(O)cc(Cl)c1Cl 306555661 345431137 /nfs/dbraw/zinc/43/11/37/345431137.db2.gz HUWGABGQPKCPMM-UHFFFAOYSA-N 0 0 178.018 2.281 10 0 AEAERN Clc1ccn(CC2CCC2)n1 306557365 345432727 /nfs/dbraw/zinc/43/27/27/345432727.db2.gz HFXGMVJPXWVNBS-UHFFFAOYSA-N 0 0 170.643 2.337 10 0 AEAERN CC1([C@H]2OCCC[C@H]2CO)CCCC1 306557186 345432777 /nfs/dbraw/zinc/43/27/77/345432777.db2.gz NLTRFTLLPVWOFX-QWRGUYRKSA-N 0 0 198.306 2.354 10 0 AEAERN CC1([C@H]2OCCC[C@@H]2CO)CCCC1 306557185 345432798 /nfs/dbraw/zinc/43/27/98/345432798.db2.gz NLTRFTLLPVWOFX-MNOVXSKESA-N 0 0 198.306 2.354 10 0 AEAERN O[C@@H]1CCC[C@H](C[C@H]2CCC[C@H]2O)C1 306557441 345432799 /nfs/dbraw/zinc/43/27/99/345432799.db2.gz JANKVOTXECJKTE-DDHJBXDOSA-N 0 0 198.306 2.089 10 0 AEAERN CC1([C@@H]2OCCC[C@@H]2CO)CCCC1 306557184 345432810 /nfs/dbraw/zinc/43/28/10/345432810.db2.gz NLTRFTLLPVWOFX-GHMZBOCLSA-N 0 0 198.306 2.354 10 0 AEAERN O[C@H]1CCC[C@@H]1C[C@H]1CCC[C@@H](O)C1 306557442 345432823 /nfs/dbraw/zinc/43/28/23/345432823.db2.gz JANKVOTXECJKTE-KKOKHZNYSA-N 0 0 198.306 2.089 10 0 AEAERN O[C@@H]1CCC[C@H](C[C@@H]2CCC[C@H]2O)C1 306557445 345432868 /nfs/dbraw/zinc/43/28/68/345432868.db2.gz JANKVOTXECJKTE-WRWGMCAJSA-N 0 0 198.306 2.089 10 0 AEAERN O[C@H]1CCC[C@H]1C[C@H]1CCC[C@@H](O)C1 306557443 345432900 /nfs/dbraw/zinc/43/29/00/345432900.db2.gz JANKVOTXECJKTE-KXNHARMFSA-N 0 0 198.306 2.089 10 0 AEAERN CCC1(Nc2ncc(C)c(C)n2)CC1 306557490 345432903 /nfs/dbraw/zinc/43/29/03/345432903.db2.gz JGYCBNRSGIOUOR-UHFFFAOYSA-N 0 0 191.278 2.448 10 0 AEAERN CC1([C@@H]2OCCC[C@H]2CO)CCCC1 306557187 345432997 /nfs/dbraw/zinc/43/29/97/345432997.db2.gz NLTRFTLLPVWOFX-WDEREUQCSA-N 0 0 198.306 2.354 10 0 AEAERN CC[C@@H](C)[C@@H]1NC(=O)C12CCCC2 306557919 345433307 /nfs/dbraw/zinc/43/33/07/345433307.db2.gz OIPOPHMGBFBGAX-BDAKNGLRSA-N 0 0 181.279 2.091 10 0 AEAERN CC[C@H](C)[C@@H]1NC(=O)C12CCCC2 306557921 345433327 /nfs/dbraw/zinc/43/33/27/345433327.db2.gz OIPOPHMGBFBGAX-IUCAKERBSA-N 0 0 181.279 2.091 10 0 AEAERN CC[C@@H](C)[C@H]1NC(=O)C12CCCC2 306557922 345433600 /nfs/dbraw/zinc/43/36/00/345433600.db2.gz OIPOPHMGBFBGAX-RKDXNWHRSA-N 0 0 181.279 2.091 10 0 AEAERN CC[C@H](C)[C@H]1NC(=O)C12CCCC2 306557920 345433640 /nfs/dbraw/zinc/43/36/40/345433640.db2.gz OIPOPHMGBFBGAX-DTWKUNHWSA-N 0 0 181.279 2.091 10 0 AEAERN COc1ccncc1NCC=C(C)C 306558142 345433902 /nfs/dbraw/zinc/43/39/02/345433902.db2.gz JXUGYRUFPMCBNP-UHFFFAOYSA-N 0 0 192.262 2.468 10 0 AEAERN CC1(COC2CCC(O)CC2)CCC1 306558938 345434351 /nfs/dbraw/zinc/43/43/51/345434351.db2.gz KZVPJXPHEUYTSF-UHFFFAOYSA-N 0 0 198.306 2.497 10 0 AEAERN C/C(=C/[C@@H](C)O)C1CCC1 306558890 345434725 /nfs/dbraw/zinc/43/47/25/345434725.db2.gz KWEBNRJSLMNRFO-NFXKFNAJSA-N 0 0 140.226 2.114 10 0 AEAERN FC1(F)CC[C@H](Nc2cccnn2)C1 306559543 345435098 /nfs/dbraw/zinc/43/50/98/345435098.db2.gz QJNFVQXYWUNZQK-ZETCQYMHSA-N 0 0 199.204 2.076 10 0 AEAERN FC1(F)CC[C@@H](Nc2cccnn2)C1 306559542 345435118 /nfs/dbraw/zinc/43/51/18/345435118.db2.gz QJNFVQXYWUNZQK-SSDOTTSWSA-N 0 0 199.204 2.076 10 0 AEAERN Clc1nnc(CCC2CC2)o1 306559426 345435248 /nfs/dbraw/zinc/43/52/48/345435248.db2.gz AHNCBBJOZWARIB-UHFFFAOYSA-N 0 0 172.615 2.066 10 0 AEAERN C/C=C/CNc1ccc(N)c(OC)c1 306559936 345435542 /nfs/dbraw/zinc/43/55/42/345435542.db2.gz QTVAGTDEHBWILP-ONEGZZNKSA-N 0 0 192.262 2.265 10 0 AEAERN CCC1(n2c(C)nnc2Cl)CC1 306559867 345435575 /nfs/dbraw/zinc/43/55/75/345435575.db2.gz LVICLNXBLUDICX-UHFFFAOYSA-N 0 0 185.658 2.139 10 0 AEAERN FC(F)(F)Oc1ccc(=S)[nH]c1 306559831 345435582 /nfs/dbraw/zinc/43/55/82/345435582.db2.gz QRBGZDVISQPLDZ-UHFFFAOYSA-N 0 0 195.165 2.269 10 0 AEAERN O=C(C[C@H]1CCOC1)[C@H]1C[C@@H]2C[C@@H]2C1 306560104 345436143 /nfs/dbraw/zinc/43/61/43/345436143.db2.gz AZTAQYTXGHUXBW-CHWFTXMASA-N 0 0 194.274 2.028 10 0 AEAERN O=C(C[C@@H]1CCOC1)[C@H]1C[C@@H]2C[C@@H]2C1 306560107 345436244 /nfs/dbraw/zinc/43/62/44/345436244.db2.gz AZTAQYTXGHUXBW-MMWGEVLESA-N 0 0 194.274 2.028 10 0 AEAERN CC1(C)CC[C@@H]1Nc1ccc(N)nc1 306560861 345436619 /nfs/dbraw/zinc/43/66/19/345436619.db2.gz MYHVGTYYPLUAJA-VIFPVBQESA-N 0 0 191.278 2.264 10 0 AEAERN CC1(C)CC[C@H]1Nc1ccc(N)nc1 306560859 345436678 /nfs/dbraw/zinc/43/66/78/345436678.db2.gz MYHVGTYYPLUAJA-SECBINFHSA-N 0 0 191.278 2.264 10 0 AEAERN O=C1N[C@@H](CC2CCCCCC2)CO1 306561009 345437064 /nfs/dbraw/zinc/43/70/64/345437064.db2.gz SJRRHRBKNWBVTN-JTQLQIEISA-N 0 0 197.278 2.455 10 0 AEAERN O=C1N[C@H](CC2CCCCCC2)CO1 306561010 345437125 /nfs/dbraw/zinc/43/71/25/345437125.db2.gz SJRRHRBKNWBVTN-SNVBAGLBSA-N 0 0 197.278 2.455 10 0 AEAERN Cc1cc(NC2CSC2)ccc1O 306561812 345437703 /nfs/dbraw/zinc/43/77/03/345437703.db2.gz CASXOTSJBVRAHT-UHFFFAOYSA-N 0 0 195.287 2.228 10 0 AEAERN CC(C)[C@H]1C(=O)N[C@@H]1CC1CCCC1 306562490 345437987 /nfs/dbraw/zinc/43/79/87/345437987.db2.gz UTVFFODXCCJPSD-GHMZBOCLSA-N 0 0 195.306 2.337 10 0 AEAERN CC(C)[C@@H]1C(=O)N[C@H]1CC1CCCC1 306562495 345438048 /nfs/dbraw/zinc/43/80/48/345438048.db2.gz UTVFFODXCCJPSD-QWRGUYRKSA-N 0 0 195.306 2.337 10 0 AEAERN NNc1cccc(C(F)F)c1F 306562589 345438180 /nfs/dbraw/zinc/43/81/80/345438180.db2.gz OGCUEKFCFTZPEW-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN O[C@@]1(C(F)F)CC2CCC1CC2 306562952 345438661 /nfs/dbraw/zinc/43/86/61/345438661.db2.gz OTAZRBCCKCHXHC-IEIXJENWSA-N 0 0 176.206 2.193 10 0 AEAERN O[C@]1(C(F)F)CC2CCC1CC2 306562953 345438674 /nfs/dbraw/zinc/43/86/74/345438674.db2.gz OTAZRBCCKCHXHC-QXUHLLMWSA-N 0 0 176.206 2.193 10 0 AEAERN Cc1cc(NC2CC2)c(F)cc1N 306563385 345438803 /nfs/dbraw/zinc/43/88/03/345438803.db2.gz PGHMKSDOMKOLCC-UHFFFAOYSA-N 0 0 180.226 2.291 10 0 AEAERN OC/C=C/c1cccc(O)c1Cl 306563210 345439017 /nfs/dbraw/zinc/43/90/17/345439017.db2.gz VDVCFNHGPAMQSM-DUXPYHPUSA-N 0 0 184.622 2.051 10 0 AEAERN CCCC1(Nc2cnccn2)CC1 306563446 345439118 /nfs/dbraw/zinc/43/91/18/345439118.db2.gz PJMUQCBEYABVKH-UHFFFAOYSA-N 0 0 177.251 2.221 10 0 AEAERN CCC(O)(CC)c1ccsn1 306563683 345439544 /nfs/dbraw/zinc/43/95/44/345439544.db2.gz VXFOLMYNKZWBOH-UHFFFAOYSA-N 0 0 171.265 2.151 10 0 AEAERN CCCNC(=O)N1C[C@H](C)CC1(C)C 306563723 345439599 /nfs/dbraw/zinc/43/95/99/345439599.db2.gz WALKIBHXIKXJNB-SECBINFHSA-N 0 0 198.310 2.226 10 0 AEAERN CCCNC(=O)N1C[C@@H](C)CC1(C)C 306563725 345439659 /nfs/dbraw/zinc/43/96/59/345439659.db2.gz WALKIBHXIKXJNB-VIFPVBQESA-N 0 0 198.310 2.226 10 0 AEAERN Cc1cc(-c2cn[nH]c2)cnc1Cl 306563920 345440283 /nfs/dbraw/zinc/44/02/83/345440283.db2.gz PUIRQGHQYQIWRU-UHFFFAOYSA-N 0 0 193.637 2.434 10 0 AEAERN Cc1cc([C@H](O)C2=COCC2)c(C)o1 306564309 345440640 /nfs/dbraw/zinc/44/06/40/345440640.db2.gz QFOHJCKGUAYLHV-LLVKDONJSA-N 0 0 194.230 2.234 10 0 AEAERN Cc1cc([C@@H](O)C2=COCC2)c(C)o1 306564310 345440761 /nfs/dbraw/zinc/44/07/61/345440761.db2.gz QFOHJCKGUAYLHV-NSHDSACASA-N 0 0 194.230 2.234 10 0 AEAERN O[C@H]1C=C(c2ccns2)CCC1 306565071 345441129 /nfs/dbraw/zinc/44/11/29/345441129.db2.gz FHJOIRPENARWLP-MRVPVSSYSA-N 0 0 181.260 2.071 10 0 AEAERN Cc1cc([C@@H](O)C(F)(F)F)sn1 306565154 345441148 /nfs/dbraw/zinc/44/11/48/345441148.db2.gz 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/nfs/dbraw/zinc/46/05/56/345460556.db2.gz FJSVZNADBQRHMI-OCAPTIKFSA-N 0 0 193.271 2.017 10 0 AEAERN Cc1cccc(N)c1NCCCF 306583920 345460817 /nfs/dbraw/zinc/46/08/17/345460817.db2.gz RJAIVGBCIFFXQC-UHFFFAOYSA-N 0 0 182.242 2.349 10 0 AEAERN CCc1[nH]nc(NC2CC(C)C2)c1C 306584425 345461375 /nfs/dbraw/zinc/46/13/75/345461375.db2.gz GKSXFVWUBQIUHM-UHFFFAOYSA-N 0 0 193.294 2.491 10 0 AEAERN Nc1nc(CCC2CC2)cs1 306584537 345461472 /nfs/dbraw/zinc/46/14/72/345461472.db2.gz QELZMJKOWCPONG-UHFFFAOYSA-N 0 0 168.265 2.068 10 0 AEAERN Cc1ccc2nc(C3(C)CC3)[nH]c2n1 306584330 345461507 /nfs/dbraw/zinc/46/15/07/345461507.db2.gz RPWMOJBVGCIYFZ-UHFFFAOYSA-N 0 0 187.246 2.318 10 0 AEAERN CCC1(Nc2cccnc2N)CC1 306584979 345461917 /nfs/dbraw/zinc/46/19/17/345461917.db2.gz HAOZYKWFIGVVST-UHFFFAOYSA-N 0 0 177.251 2.018 10 0 AEAERN C[C@@H]1CC[C@@H]([C@@H](O)CC2=CCCC2)O1 306585080 345461933 /nfs/dbraw/zinc/46/19/33/345461933.db2.gz SGIUJUCOMIFSGE-USWWRNFRSA-N 0 0 196.290 2.415 10 0 AEAERN 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SOYIWDMEQUDURY-XCBNKYQSSA-N 0 0 197.303 2.397 10 0 AEAERN CC1(C)C[C@@H]1[C@](C)(O)c1ccsn1 306585610 345462589 /nfs/dbraw/zinc/46/25/89/345462589.db2.gz SOYIWDMEQUDURY-XVKPBYJWSA-N 0 0 197.303 2.397 10 0 AEAERN COc1ccncc1NC1CCC1 306586073 345462818 /nfs/dbraw/zinc/46/28/18/345462818.db2.gz RAVIJKAUABEYNM-UHFFFAOYSA-N 0 0 178.235 2.055 10 0 AEAERN C/C=C/C(=O)N[C@H](C)[C@@H]1CC1(C)C 306586592 345463174 /nfs/dbraw/zinc/46/31/74/345463174.db2.gz UGGYCVPSXZWVIE-RKWMXMRGSA-N 0 0 181.279 2.113 10 0 AEAERN CC(F)(F)c1nc2cccnc2[nH]1 306586224 345463251 /nfs/dbraw/zinc/46/32/51/345463251.db2.gz TUZMMPRIEFOONM-UHFFFAOYSA-N 0 0 183.161 2.070 10 0 AEAERN C/C=C/C(=O)N[C@H](C)[C@H]1CC1(C)C 306586590 345463476 /nfs/dbraw/zinc/46/34/76/345463476.db2.gz UGGYCVPSXZWVIE-JKKBLNIGSA-N 0 0 181.279 2.113 10 0 AEAERN O=C1COc2c1ccc1c2CCCC1 306586918 345463943 /nfs/dbraw/zinc/46/39/43/345463943.db2.gz RSDHCEGODPBSEJ-UHFFFAOYSA-N 0 0 188.226 2.141 10 0 AEAERN Cc1nc(N)ccc1-c1ccns1 306586846 345464068 /nfs/dbraw/zinc/46/40/68/345464068.db2.gz RQSKPQCCSHGYMP-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1ccc(CNc2csnn2)o1 306587477 345464378 /nfs/dbraw/zinc/46/43/78/345464378.db2.gz MIIMWMSHVSCOQW-UHFFFAOYSA-N 0 0 195.247 2.052 10 0 AEAERN CCc1nc(C(C)(C)C)c(CO)o1 306587174 345464384 /nfs/dbraw/zinc/46/43/84/345464384.db2.gz RZAKVSPRADHHGP-UHFFFAOYSA-N 0 0 183.251 2.027 10 0 AEAERN Nc1c(F)ccc(C(F)F)c1F 306587695 345464387 /nfs/dbraw/zinc/46/43/87/345464387.db2.gz SMTDLBLXIZGMBV-UHFFFAOYSA-N 0 0 179.116 2.485 10 0 AEAERN CSc1cnc(NC2CCC2)nc1 306588410 345465084 /nfs/dbraw/zinc/46/50/84/345465084.db2.gz NJVSHSIOGANOMO-UHFFFAOYSA-N 0 0 195.291 2.163 10 0 AEAERN N#CNc1cncc2ccccc12 306587962 345465102 /nfs/dbraw/zinc/46/51/02/345465102.db2.gz SRFYNDJIYDBXIF-UHFFFAOYSA-N 0 0 169.187 2.128 10 0 AEAERN CSc1noc(-c2ccccc2)n1 306589298 345466335 /nfs/dbraw/zinc/46/63/35/345466335.db2.gz OHCNDFYVONFEBG-UHFFFAOYSA-N 0 0 192.243 2.459 10 0 AEAERN S=c1cc(-c2ccns2)nc[nH]1 306589425 345466794 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2.256 10 0 AEAERN Cc1cc(Cl)cc(CNN(C)C)c1 306590105 345467478 /nfs/dbraw/zinc/46/74/78/345467478.db2.gz XOXXPQHQWSFHAB-UHFFFAOYSA-N 0 0 198.697 2.215 10 0 AEAERN Cc1cc(C)c([C@H](O)C2CC2)cn1 306590832 345468201 /nfs/dbraw/zinc/46/82/01/345468201.db2.gz YDQYPVHLGCLEQA-LLVKDONJSA-N 0 0 177.247 2.142 10 0 AEAERN Cc1cc(C)c([C@@H](O)C2CC2)cn1 306590833 345468223 /nfs/dbraw/zinc/46/82/23/345468223.db2.gz YDQYPVHLGCLEQA-NSHDSACASA-N 0 0 177.247 2.142 10 0 AEAERN Cc1nc(C)c(C)c(N[C@@H]2C[C@H]2C)n1 306590708 345468320 /nfs/dbraw/zinc/46/83/20/345468320.db2.gz AGSRDIWMFNXHCV-LHLIQPBNSA-N 0 0 191.278 2.222 10 0 AEAERN C[C@@H](Nc1nncs1)[C@H]1CC1(C)C 306591937 345469150 /nfs/dbraw/zinc/46/91/50/345469150.db2.gz YYYXOMDOTOHIHN-RNFRBKRXSA-N 0 0 197.307 2.385 10 0 AEAERN C[C@H](Nc1nncs1)[C@@H]1CC1(C)C 306591935 345469249 /nfs/dbraw/zinc/46/92/49/345469249.db2.gz YYYXOMDOTOHIHN-BQBZGAKWSA-N 0 0 197.307 2.385 10 0 AEAERN C[C@@H](Nc1nncs1)[C@@H]1CC1(C)C 306591938 345469255 /nfs/dbraw/zinc/46/92/55/345469255.db2.gz YYYXOMDOTOHIHN-RQJHMYQMSA-N 0 0 197.307 2.385 10 0 AEAERN C[C@@H]1C(=O)CC[C@H]1c1ccns1 306592244 345469391 /nfs/dbraw/zinc/46/93/91/345469391.db2.gz ZJEANLCZCLUPJL-NKWVEPMBSA-N 0 0 181.260 2.226 10 0 AEAERN C[C@H](Nc1nncs1)[C@H]1CC1(C)C 306591936 345469444 /nfs/dbraw/zinc/46/94/44/345469444.db2.gz YYYXOMDOTOHIHN-NKWVEPMBSA-N 0 0 197.307 2.385 10 0 AEAERN C[C@@H]1C(=O)CC[C@@H]1c1ccns1 306592243 345469460 /nfs/dbraw/zinc/46/94/60/345469460.db2.gz ZJEANLCZCLUPJL-BQBZGAKWSA-N 0 0 181.260 2.226 10 0 AEAERN CC[C@]1(C)C[C@H]1Nc1nc(C)ns1 306592284 345469562 /nfs/dbraw/zinc/46/95/62/345469562.db2.gz ZMLMFUYFIQVGFN-VXNVDRBHSA-N 0 0 197.307 2.447 10 0 AEAERN CC[C@]1(C)C[C@@H]1Nc1nc(C)ns1 306592283 345469599 /nfs/dbraw/zinc/46/95/99/345469599.db2.gz ZMLMFUYFIQVGFN-IONNQARKSA-N 0 0 197.307 2.447 10 0 AEAERN C[C@@H]1CSC[C@@H]1n1cccc1C=O 306592742 345469610 /nfs/dbraw/zinc/46/96/10/345469610.db2.gz WQILRIAEKNNURW-SCZZXKLOSA-N 0 0 195.287 2.225 10 0 AEAERN 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/nfs/dbraw/zinc/58/63/74/345586374.db2.gz VIXXNIBDGVGZQJ-UHFFFAOYSA-N 0 0 193.221 2.391 10 0 AEAERN Cc1cn([C@@H](C)C(F)F)c(=S)[nH]1 306742169 345586388 /nfs/dbraw/zinc/58/63/88/345586388.db2.gz VLAWOIUZKYEERJ-YFKPBYRVSA-N 0 0 192.234 2.306 10 0 AEAERN C[C@H](NC1=[NH+][C@@H](C)[C@H](C)S1)C1CC1 306742844 345586682 /nfs/dbraw/zinc/58/66/82/345586682.db2.gz GJMRSIUXODGIKZ-FXQIFTODSA-N 0 0 198.335 2.254 10 0 AEAERN Cc1cc([C@@H](F)C[NH3+])c(F)cc1F 306742856 345586741 /nfs/dbraw/zinc/58/67/41/345586741.db2.gz WHFHADBAWQWTAL-VIFPVBQESA-N 0 0 189.180 2.243 10 0 AEAERN C[C@@H]1[NH+]=C(N[C@H](C)C2CC2)S[C@@H]1C 306742846 345586746 /nfs/dbraw/zinc/58/67/46/345586746.db2.gz GJMRSIUXODGIKZ-XLPZGREQSA-N 0 0 198.335 2.254 10 0 AEAERN COc1cc(C)cc2c1NCCC2 306742887 345586776 /nfs/dbraw/zinc/58/67/76/345586776.db2.gz GLWJGLYXBJZAFK-UHFFFAOYSA-N 0 0 177.247 2.362 10 0 AEAERN Cc1cc([C@H](F)C[NH3+])c(F)cc1F 306742848 345586863 /nfs/dbraw/zinc/58/68/63/345586863.db2.gz WHFHADBAWQWTAL-SECBINFHSA-N 0 0 189.180 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/nfs/dbraw/zinc/58/91/20/345589120.db2.gz DWLUOJIANWITDV-SSDOTTSWSA-N 0 0 198.649 2.212 10 0 AEAERN O=C1CCC[C@H](c2ccns2)C1 306747270 345589160 /nfs/dbraw/zinc/58/91/60/345589160.db2.gz CAARZMHVZGXZKT-ZETCQYMHSA-N 0 0 181.260 2.370 10 0 AEAERN Nc1ccccc1N1CC=CCC1 306746769 345589196 /nfs/dbraw/zinc/58/91/96/345589196.db2.gz KFLVHEKJLSVNJC-UHFFFAOYSA-N 0 0 174.247 2.035 10 0 AEAERN Cc1ccc(Cl)c(C(=O)[C@H](C)O)c1 306746597 345589231 /nfs/dbraw/zinc/58/92/31/345589231.db2.gz DWLUOJIANWITDV-ZETCQYMHSA-N 0 0 198.649 2.212 10 0 AEAERN Cc1oncc1N[C@@H]1CC[C@H]1C 306747033 345589242 /nfs/dbraw/zinc/58/92/42/345589242.db2.gz FBJPJCPHYXFARP-HTRCEHHLSA-N 0 0 166.224 2.193 10 0 AEAERN Cc1oncc1N[C@H]1CC[C@@H]1C 306747040 345589319 /nfs/dbraw/zinc/58/93/19/345589319.db2.gz FBJPJCPHYXFARP-XPUUQOCRSA-N 0 0 166.224 2.193 10 0 AEAERN CCSCc1csc(NC)n1 306748175 345589666 /nfs/dbraw/zinc/58/96/66/345589666.db2.gz GSUHRFQPVVTBHL-UHFFFAOYSA-N 0 0 188.321 2.438 10 0 AEAERN CC(C)=CCSC[C@H](C)O 306747793 345589860 /nfs/dbraw/zinc/58/98/60/345589860.db2.gz FBSDCFPXPXYYQX-QMMMGPOBSA-N 0 0 160.282 2.067 10 0 AEAERN C/C=C/CNc1nsnc1Cl 306748873 345590310 /nfs/dbraw/zinc/59/03/10/345590310.db2.gz LLTPCLSXLDRHHW-NSCUHMNNSA-N 0 0 189.671 2.180 10 0 AEAERN CC[C@@H]1C[C@H]1C(=O)N1CCCCC1 306748441 345590313 /nfs/dbraw/zinc/59/03/13/345590313.db2.gz JSOLIZRDHGZVGY-NXEZZACHSA-N 0 0 181.279 2.045 10 0 AEAERN Fc1cc(Cl)c(OC(F)F)cn1 306748444 345590431 /nfs/dbraw/zinc/59/04/31/345590431.db2.gz LBQDRGBNUXBDGM-UHFFFAOYSA-N 0 0 197.543 2.476 10 0 AEAERN CCc1sc(=NN)[nH]c1C(C)(C)C 306750465 345591242 /nfs/dbraw/zinc/59/12/42/345591242.db2.gz MRGMKNFQEAJIGG-UHFFFAOYSA-N 0 0 199.323 2.289 10 0 AEAERN O=C1CCCC[C@@H]1c1ccsn1 306751126 345591391 /nfs/dbraw/zinc/59/13/91/345591391.db2.gz HQCVWOVONWBXHK-SSDOTTSWSA-N 0 0 181.260 2.370 10 0 AEAERN Nc1cc(F)c(F)cc1OC(F)F 306751264 345591424 /nfs/dbraw/zinc/59/14/24/345591424.db2.gz LDAKHQXZTSOUEE-UHFFFAOYSA-N 0 0 195.115 2.148 10 0 AEAERN Cc1coc(NCc2ccoc2)n1 306751097 345591635 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306754188 345592829 /nfs/dbraw/zinc/59/28/29/345592829.db2.gz MSFLCGDYLNHYPE-UHFFFAOYSA-N 0 0 199.637 2.407 10 0 AEAERN Nc1c(F)ccc(OC(F)F)c1F 306754045 345592852 /nfs/dbraw/zinc/59/28/52/345592852.db2.gz PGELHJAKJBCSCE-UHFFFAOYSA-N 0 0 195.115 2.148 10 0 AEAERN CC(C)OC(=O)N1C[C@H]2[C@@H](C1)C2(C)C 306754615 345593097 /nfs/dbraw/zinc/59/30/97/345593097.db2.gz PUPRDCLTELVJBY-DTORHVGOSA-N 0 0 197.278 2.119 10 0 AEAERN CC1(C)CC[C@@]1(O)Cc1cncs1 306756648 345593355 /nfs/dbraw/zinc/59/33/55/345593355.db2.gz RQURLLNHFLFAQZ-SNVBAGLBSA-N 0 0 197.303 2.237 10 0 AEAERN CC1(C)CC[C@]1(O)Cc1cncs1 306756647 345593401 /nfs/dbraw/zinc/59/34/01/345593401.db2.gz RQURLLNHFLFAQZ-JTQLQIEISA-N 0 0 197.303 2.237 10 0 AEAERN Cc1nsc(N[C@@H]2CC[C@H]3C[C@H]32)n1 306756889 345593569 /nfs/dbraw/zinc/59/35/69/345593569.db2.gz MVNCECPVQUDCOK-XLPZGREQSA-N 0 0 195.291 2.057 10 0 AEAERN Cc1nsc(N[C@@H]2CC[C@@H]3C[C@@H]32)n1 306756888 345593583 /nfs/dbraw/zinc/59/35/83/345593583.db2.gz MVNCECPVQUDCOK-GJMOJQLCSA-N 0 0 195.291 2.057 10 0 AEAERN CNc1nc(C(C)(C)F)cs1 306756763 345593608 /nfs/dbraw/zinc/59/36/08/345593608.db2.gz QYNJRPYMXXRZAH-UHFFFAOYSA-N 0 0 174.244 2.389 10 0 AEAERN C[C@@H](O)CNc1ccsc1Cl 306757331 345594052 /nfs/dbraw/zinc/59/40/52/345594052.db2.gz SLNSSDMJZJSUES-RXMQYKEDSA-N 0 0 191.683 2.194 10 0 AEAERN CC(=O)NCc1cc2occc2s1 306757392 345594212 /nfs/dbraw/zinc/59/42/12/345594212.db2.gz NJDJMTMIIOEEAM-UHFFFAOYSA-N 0 0 195.243 2.130 10 0 AEAERN C[C@H](O)CNc1ccsc1Cl 306757332 345594215 /nfs/dbraw/zinc/59/42/15/345594215.db2.gz SLNSSDMJZJSUES-YFKPBYRVSA-N 0 0 191.683 2.194 10 0 AEAERN c1cnnc(Sc2ccncc2)c1 306758451 345594789 /nfs/dbraw/zinc/59/47/89/345594789.db2.gz OJNNLONQXWTMJK-UHFFFAOYSA-N 0 0 189.243 2.023 10 0 AEAERN Cc1cc(N[C@@H]2CC[C@H](C)C2)n(C)n1 306759122 345595147 /nfs/dbraw/zinc/59/51/47/345595147.db2.gz VACNOMNKGWCDQZ-WCBMZHEXSA-N 0 0 193.294 2.329 10 0 AEAERN CCC1(c2csc(N)n2)CC1 306759239 345595168 /nfs/dbraw/zinc/59/51/68/345595168.db2.gz PFMUACDDJOJUSF-UHFFFAOYSA-N 0 0 168.265 2.167 10 0 AEAERN Cc1cc(N[C@@H]2CC[C@@H](C)C2)n(C)n1 306759120 345595195 /nfs/dbraw/zinc/59/51/95/345595195.db2.gz VACNOMNKGWCDQZ-PSASIEDQSA-N 0 0 193.294 2.329 10 0 AEAERN Cc1cc(N[C@H]2CC[C@@H](C)C2)n(C)n1 306759121 345595236 /nfs/dbraw/zinc/59/52/36/345595236.db2.gz VACNOMNKGWCDQZ-SCZZXKLOSA-N 0 0 193.294 2.329 10 0 AEAERN Cc1cc(N[C@H]2CC[C@H](C)C2)n(C)n1 306759123 345595336 /nfs/dbraw/zinc/59/53/36/345595336.db2.gz VACNOMNKGWCDQZ-WPRPVWTQSA-N 0 0 193.294 2.329 10 0 AEAERN C[C@H](n1cnnc1Cl)C(F)(F)F 306758635 345595411 /nfs/dbraw/zinc/59/54/11/345595411.db2.gz ULRDLOUERQWEHZ-VKHMYHEASA-N 0 0 199.563 2.055 10 0 AEAERN Cc1c(-c2sccc2F)noc1N 306758713 345595471 /nfs/dbraw/zinc/59/54/71/345595471.db2.gz VFQMJSBRSSOERR-UHFFFAOYSA-N 0 0 198.222 2.433 10 0 AEAERN C[C@@H]1C[C@H]1[C@@H](C)n1ncc(Cl)c1N 306759969 345595843 /nfs/dbraw/zinc/59/58/43/345595843.db2.gz XFQIVDAEJLWZQT-FSDSQADBSA-N 0 0 199.685 2.336 10 0 AEAERN C[C@@H](n1cnnc1Cl)C(F)(F)F 306758634 345595514 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196.197 2.295 10 0 AEAERN C[C@H](n1cc[nH]c1=S)C(F)(F)F 306763357 345599275 /nfs/dbraw/zinc/59/92/75/345599275.db2.gz FZWBGTBFHLHODA-BYPYZUCNSA-N 0 0 196.197 2.295 10 0 AEAERN CC1(C)CC(Nc2ncccc2N)C1 306764425 345599783 /nfs/dbraw/zinc/59/97/83/345599783.db2.gz HFDMTWCXQHXQDS-UHFFFAOYSA-N 0 0 191.278 2.264 10 0 AEAERN COc1cc(-c2ccc[nH]2)ccc1O 306763911 345599790 /nfs/dbraw/zinc/59/97/90/345599790.db2.gz GRBOEAJZLFNLAJ-UHFFFAOYSA-N 0 0 189.214 2.396 10 0 AEAERN CS[C@H]1C[C@H](C)O[C@H](C)C1 306766184 345601039 /nfs/dbraw/zinc/60/10/39/345601039.db2.gz WKORQMSANCFMCR-RNLVFQAGSA-N 0 0 160.282 2.305 10 0 AEAERN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 306766341 345601072 /nfs/dbraw/zinc/60/10/72/345601072.db2.gz BLUIEPNJOVCCQN-AYMMMOKOSA-N 0 0 197.278 2.310 10 0 AEAERN S=c1[nH]ccnc1-c1cscn1 306766445 345601240 /nfs/dbraw/zinc/60/12/40/345601240.db2.gz ODWVAVWPLODZQG-UHFFFAOYSA-N 0 0 195.272 2.263 10 0 AEAERN O=C(C1CCCCCCC1)N1CC1 306766850 345601856 /nfs/dbraw/zinc/60/18/56/345601856.db2.gz 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/nfs/dbraw/zinc/60/31/07/345603107.db2.gz ZLRWOSWLJOPBEH-MUWHJKNJSA-N 0 0 195.287 2.195 10 0 AEAERN Cc1cnc(-c2ccns2)c(N)c1 306769418 345603417 /nfs/dbraw/zinc/60/34/17/345603417.db2.gz AWCKGWQIFLMWCH-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Nc1c(F)cc(OC(F)F)cc1F 306770386 345603901 /nfs/dbraw/zinc/60/39/01/345603901.db2.gz AXORPSGMADKZNB-UHFFFAOYSA-N 0 0 195.115 2.148 10 0 AEAERN Cc1cocc1[C@H](O)c1ccncc1 306771583 345604509 /nfs/dbraw/zinc/60/45/09/345604509.db2.gz CPPUMYWDGCYMFN-LLVKDONJSA-N 0 0 189.214 2.065 10 0 AEAERN COC(=O)Oc1c(C)cc(N)cc1C 306771234 345604686 /nfs/dbraw/zinc/60/46/86/345604686.db2.gz RFYXZPBIMJXLEV-UHFFFAOYSA-N 0 0 195.218 2.031 10 0 AEAERN Cc1cocc1[C@@H](O)c1ccncc1 306771584 345604789 /nfs/dbraw/zinc/60/47/89/345604789.db2.gz CPPUMYWDGCYMFN-NSHDSACASA-N 0 0 189.214 2.065 10 0 AEAERN c1nsc(N[C@H]2CC23CCCC3)n1 306772230 345605289 /nfs/dbraw/zinc/60/52/89/345605289.db2.gz SDWWPVMMPDXJKP-ZETCQYMHSA-N 0 0 195.291 2.283 10 0 AEAERN c1nsc(N[C@@H]2CC23CCCC3)n1 306772229 345605316 /nfs/dbraw/zinc/60/53/16/345605316.db2.gz SDWWPVMMPDXJKP-SSDOTTSWSA-N 0 0 195.291 2.283 10 0 AEAERN C/C=C/CNc1cc(C)nc(CC)n1 306773196 345605899 /nfs/dbraw/zinc/60/58/99/345605899.db2.gz UDEVOZBVTJMKID-GQCTYLIASA-N 0 0 191.278 2.335 10 0 AEAERN Cc1cnc2[nH]c(C(C)(C)F)nc2c1 306773741 345605914 /nfs/dbraw/zinc/60/59/14/345605914.db2.gz IZCQFGZJAYVRAN-UHFFFAOYSA-N 0 0 193.225 2.471 10 0 AEAERN CC[C@@H]1CCC[C@@H]([C@@H]2CC(=O)N2)C1 306774517 345606152 /nfs/dbraw/zinc/60/61/52/345606152.db2.gz VVARRFZYWOGLSZ-BBBLOLIVSA-N 0 0 181.279 2.091 10 0 AEAERN CC[C@@H]1CCC[C@@H]([C@H]2CC(=O)N2)C1 306774521 345606158 /nfs/dbraw/zinc/60/61/58/345606158.db2.gz VVARRFZYWOGLSZ-OPRDCNLKSA-N 0 0 181.279 2.091 10 0 AEAERN Cc1cc(-c2nc(Cl)n[nH]2)cs1 306774325 345606170 /nfs/dbraw/zinc/60/61/70/345606170.db2.gz VMAWPFIHKKCTRH-UHFFFAOYSA-N 0 0 199.666 2.495 10 0 AEAERN Clc1cnc(-c2ccns2)cn1 306775205 345606871 /nfs/dbraw/zinc/60/68/71/345606871.db2.gz LCLIFZQJXHRHFE-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN Clc1ccnc2cc[nH]c12 306778717 345607994 /nfs/dbraw/zinc/60/79/94/345607994.db2.gz RMZNKZUMCHGXHB-UHFFFAOYSA-N 0 0 152.584 2.168 10 0 AEAERN CC1(C)CC(Nc2cc(N)ns2)C1 306780077 345609121 /nfs/dbraw/zinc/60/91/21/345609121.db2.gz BELRMLVIBXMSFE-UHFFFAOYSA-N 0 0 197.307 2.326 10 0 AEAERN Cc1ccnc(N)c1-c1cscn1 306780116 345609151 /nfs/dbraw/zinc/60/91/51/345609151.db2.gz IMDJUQOIYOVVMT-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN CC1(C)CC(Nc2cccnc2N)C1 306780662 345609418 /nfs/dbraw/zinc/60/94/18/345609418.db2.gz JFFGMYARWUIFPO-UHFFFAOYSA-N 0 0 191.278 2.264 10 0 AEAERN OCc1ccc(F)c(C(F)F)c1F 306780716 345609547 /nfs/dbraw/zinc/60/95/47/345609547.db2.gz PWDSVCRUZNPZHN-UHFFFAOYSA-N 0 0 194.127 2.395 10 0 AEAERN Clc1n[nH]c(CC2CCCC2)n1 306780228 345609570 /nfs/dbraw/zinc/60/95/70/345609570.db2.gz BFAHWTXVOMPVEF-UHFFFAOYSA-N 0 0 185.658 2.191 10 0 AEAERN Cc1cccc(OC(=O)C(F)F)c1 306781442 345610268 /nfs/dbraw/zinc/61/02/68/345610268.db2.gz JRAIQZADAFQPSS-UHFFFAOYSA-N 0 0 186.157 2.166 10 0 AEAERN COc1ccc(C(F)(F)F)c(F)n1 306781880 345610743 /nfs/dbraw/zinc/61/07/43/345610743.db2.gz JUWQMNDJQUVYCO-UHFFFAOYSA-N 0 0 195.115 2.248 10 0 AEAERN COc1c(C)cc(C)cc1F 306782092 345610929 /nfs/dbraw/zinc/61/09/29/345610929.db2.gz KDAYGIAFGHYZSO-UHFFFAOYSA-N 0 0 154.184 2.451 10 0 AEAERN CCNc1ncc([C@@H](C)OC)s1 306783580 345611418 /nfs/dbraw/zinc/61/14/18/345611418.db2.gz LFPGQIQYWOBGIX-ZCFIWIBFSA-N 0 0 186.280 2.282 10 0 AEAERN CCNc1ncc([C@H](C)OC)s1 306783579 345611437 /nfs/dbraw/zinc/61/14/37/345611437.db2.gz LFPGQIQYWOBGIX-LURJTMIESA-N 0 0 186.280 2.282 10 0 AEAERN CC(=O)N1C[C@H]2CCCCCC[C@@H]21 306783902 345611747 /nfs/dbraw/zinc/61/17/47/345611747.db2.gz HACYBLHCGHSENF-MNOVXSKESA-N 0 0 181.279 2.188 10 0 AEAERN Nc1cc(F)c(C(F)F)cc1F 306783733 345611845 /nfs/dbraw/zinc/61/18/45/345611845.db2.gz LOLRRZWZDSESCO-UHFFFAOYSA-N 0 0 179.116 2.485 10 0 AEAERN CC(=O)N1C[C@H]2CCCCCC[C@H]21 306783900 345611850 /nfs/dbraw/zinc/61/18/50/345611850.db2.gz HACYBLHCGHSENF-GHMZBOCLSA-N 0 0 181.279 2.188 10 0 AEAERN CC1(C)CCN(c2ncc[nH]2)CC1 306784484 345611872 /nfs/dbraw/zinc/61/18/72/345611872.db2.gz MHWXHFBJWLQOHY-UHFFFAOYSA-N 0 0 179.267 2.036 10 0 AEAERN CC(=O)N1C[C@@H]2CCCCCC[C@H]21 306783907 345611998 /nfs/dbraw/zinc/61/19/98/345611998.db2.gz HACYBLHCGHSENF-WDEREUQCSA-N 0 0 181.279 2.188 10 0 AEAERN CC(=O)N1C[C@@H]2CCCCCC[C@@H]21 306783904 345612076 /nfs/dbraw/zinc/61/20/76/345612076.db2.gz HACYBLHCGHSENF-QWRGUYRKSA-N 0 0 181.279 2.188 10 0 AEAERN Nc1cc(O)cc(F)c1C(F)(F)F 306784102 345612111 /nfs/dbraw/zinc/61/21/11/345612111.db2.gz LSZDHJPNMVMQIY-UHFFFAOYSA-N 0 0 195.115 2.132 10 0 AEAERN C[C@H]1C[C@H]1c1ccc(Cl)nn1 306784789 345612507 /nfs/dbraw/zinc/61/25/07/345612507.db2.gz IPZYGTSIBGXQMI-NTSWFWBYSA-N 0 0 168.627 2.253 10 0 AEAERN CC[C@@H]1NC(=O)C[C@@H]1C(C)(C)CC 306785270 345612543 /nfs/dbraw/zinc/61/25/43/345612543.db2.gz NDNLKPXTEMWPAC-IUCAKERBSA-N 0 0 183.295 2.337 10 0 AEAERN CC1(C)CCCN(c2ncc[nH]2)C1 306784842 345612583 /nfs/dbraw/zinc/61/25/83/345612583.db2.gz MTTMPRWPLBMZOU-UHFFFAOYSA-N 0 0 179.267 2.036 10 0 AEAERN CC[C@H]1NC(=O)C[C@H]1C(C)(C)CC 306785272 345612616 /nfs/dbraw/zinc/61/26/16/345612616.db2.gz NDNLKPXTEMWPAC-RKDXNWHRSA-N 0 0 183.295 2.337 10 0 AEAERN CC(C)[C@H](C)C1(O)CCC(=O)CC1 306785038 345612617 /nfs/dbraw/zinc/61/26/17/345612617.db2.gz IRRLNQRZDRCXQR-VIFPVBQESA-N 0 0 184.279 2.153 10 0 AEAERN CC(C)[C@@H](C)C1(O)CCC(=O)CC1 306785037 345612628 /nfs/dbraw/zinc/61/26/28/345612628.db2.gz IRRLNQRZDRCXQR-SECBINFHSA-N 0 0 184.279 2.153 10 0 AEAERN C[C@@H]1C[C@H]1c1ccc(Cl)nn1 306784790 345612676 /nfs/dbraw/zinc/61/26/76/345612676.db2.gz IPZYGTSIBGXQMI-PHDIDXHHSA-N 0 0 168.627 2.253 10 0 AEAERN CC[C@@H]1NC(=O)C[C@H]1C(C)(C)CC 306785266 345612690 /nfs/dbraw/zinc/61/26/90/345612690.db2.gz NDNLKPXTEMWPAC-BDAKNGLRSA-N 0 0 183.295 2.337 10 0 AEAERN C[C@H]1C[C@@H]1c1ccc(Cl)nn1 306784792 345612725 /nfs/dbraw/zinc/61/27/25/345612725.db2.gz IPZYGTSIBGXQMI-WDSKDSINSA-N 0 0 168.627 2.253 10 0 AEAERN Cc1cnnc(NC2CC(C)(C)C2)c1 306785729 345613248 /nfs/dbraw/zinc/61/32/48/345613248.db2.gz OFOSNEWQQVLQAM-UHFFFAOYSA-N 0 0 191.278 2.386 10 0 AEAERN C[C@@H](NC(N)=O)C1CCCCCC1 306786459 345613461 /nfs/dbraw/zinc/61/34/61/345613461.db2.gz LCLNEJJQHVGDMQ-MRVPVSSYSA-N 0 0 184.283 2.014 10 0 AEAERN C/C(=C/c1cc(C)[nH]c1C)CO 306786432 345613764 /nfs/dbraw/zinc/61/37/64/345613764.db2.gz KYFFNGLQHXZIAX-DAXSKMNVSA-N 0 0 165.236 2.027 10 0 AEAERN Nc1c(F)ccc(O)c1C(F)(F)F 306788249 345614901 /nfs/dbraw/zinc/61/49/01/345614901.db2.gz RPUKKWSSDDFLFM-UHFFFAOYSA-N 0 0 195.115 2.132 10 0 AEAERN c1nc(CN2CCC[C@@H]3C[C@@H]32)cs1 306788580 345614955 /nfs/dbraw/zinc/61/49/55/345614955.db2.gz RXXDZQCDVXCPHS-SCZZXKLOSA-N 0 0 194.303 2.127 10 0 AEAERN Cc1nc(NC(=O)C(C)(C)C)cs1 306788238 345614996 /nfs/dbraw/zinc/61/49/96/345614996.db2.gz ROEMXFXKRWPXPX-UHFFFAOYSA-N 0 0 198.291 2.436 10 0 AEAERN Nc1ccc(C(F)(F)F)c(O)c1F 306788982 345615615 /nfs/dbraw/zinc/61/56/15/345615615.db2.gz SPXQTFMEOWUKQF-UHFFFAOYSA-N 0 0 195.115 2.132 10 0 AEAERN CCCC(=O)[C@]1(C)C[C@@H]1F 306790165 345616171 /nfs/dbraw/zinc/61/61/71/345616171.db2.gz YJHXEHSAFOZXEX-POYBYMJQSA-N 0 0 144.189 2.104 10 0 AEAERN C[C@@H]1[C@@H](Nc2cc(F)ncn2)C[C@H]1C 306790501 345616176 /nfs/dbraw/zinc/61/61/76/345616176.db2.gz VVYWNCZLQBVHIM-CSMHCCOUSA-N 0 0 195.241 2.072 10 0 AEAERN CCCC(=O)[C@@]1(C)C[C@H]1F 306790166 345616205 /nfs/dbraw/zinc/61/62/05/345616205.db2.gz YJHXEHSAFOZXEX-SVRRBLITSA-N 0 0 144.189 2.104 10 0 AEAERN C[C@@H]1C[C@H](Nc2cc(F)ncn2)[C@@H]1C 306790503 345616223 /nfs/dbraw/zinc/61/62/23/345616223.db2.gz VVYWNCZLQBVHIM-PRJMDXOYSA-N 0 0 195.241 2.072 10 0 AEAERN CCCC(=O)[C@@]1(C)C[C@@H]1F 306790167 345616236 /nfs/dbraw/zinc/61/62/36/345616236.db2.gz YJHXEHSAFOZXEX-XPUUQOCRSA-N 0 0 144.189 2.104 10 0 AEAERN C[C@H]1[C@H](C)C[C@H]1Nc1cc(F)ncn1 306790502 345616240 /nfs/dbraw/zinc/61/62/40/345616240.db2.gz VVYWNCZLQBVHIM-GJMOJQLCSA-N 0 0 195.241 2.072 10 0 AEAERN CC[C@H]1NC(=O)CC12CC(C)(C)C2 306790267 345616348 /nfs/dbraw/zinc/61/63/48/345616348.db2.gz VCXKVNSMJYUEDT-MRVPVSSYSA-N 0 0 181.279 2.091 10 0 AEAERN Cc1ccc([C@H]2NC(=O)C2(C)C)s1 306791099 345616801 /nfs/dbraw/zinc/61/68/01/345616801.db2.gz ZVGAUPSVPZNAQP-MRVPVSSYSA-N 0 0 195.287 2.254 10 0 AEAERN COC(=O)Cc1cc(F)cc(C)c1C 306791205 345616918 /nfs/dbraw/zinc/61/69/18/345616918.db2.gz WSQUHJGJRPLSTO-UHFFFAOYSA-N 0 0 196.221 2.158 10 0 AEAERN CC1(C)CC(Nc2cn[nH]c2)C1 306791563 345617563 /nfs/dbraw/zinc/61/75/63/345617563.db2.gz YDBWQPJDFKQNAB-UHFFFAOYSA-N 0 0 165.240 2.010 10 0 AEAERN COC(=N)c1c(O)cccc1Cl 306791700 345617829 /nfs/dbraw/zinc/61/78/29/345617829.db2.gz YRIMKRJSWJYPNK-UHFFFAOYSA-N 0 0 185.610 2.017 10 0 AEAERN CC[C@]1(C)C(=O)N[C@@H]1C1(C)CCCC1 306792075 345617845 /nfs/dbraw/zinc/61/78/45/345617845.db2.gz ZWTSDBKGWIANBS-SKDRFNHKSA-N 0 0 195.306 2.481 10 0 AEAERN CC[C@@]1(C)C(=O)N[C@@H]1C1(C)CCCC1 306792072 345617871 /nfs/dbraw/zinc/61/78/71/345617871.db2.gz ZWTSDBKGWIANBS-BXKDBHETSA-N 0 0 195.306 2.481 10 0 AEAERN CC[C@@]1(C)C(=O)N[C@H]1C1(C)CCCC1 306792074 345617897 /nfs/dbraw/zinc/61/78/97/345617897.db2.gz ZWTSDBKGWIANBS-JOYOIKCWSA-N 0 0 195.306 2.481 10 0 AEAERN CCCc1noc([C@H]2C[C@@H]2C)n1 306791662 345618005 /nfs/dbraw/zinc/61/80/05/345618005.db2.gz YNBNTWJCGQENPC-BQBZGAKWSA-N 0 0 166.224 2.146 10 0 AEAERN CC[C@]1(C)C(=O)N[C@H]1C1(C)CCCC1 306792073 345618082 /nfs/dbraw/zinc/61/80/82/345618082.db2.gz ZWTSDBKGWIANBS-CABZTGNLSA-N 0 0 195.306 2.481 10 0 AEAERN C[Si](C)(C)c1cnc(Cl)s1 306792587 345618639 /nfs/dbraw/zinc/61/86/39/345618639.db2.gz QXWSHKHTZRHMAY-UHFFFAOYSA-N 0 0 191.759 2.342 10 0 AEAERN Cc1[nH]c(=S)oc1C(C)C 306792579 345618705 /nfs/dbraw/zinc/61/87/05/345618705.db2.gz GMTAQCQOSHLGPD-UHFFFAOYSA-N 0 0 157.238 2.395 10 0 AEAERN COc1cc(Cl)c(N)cc1C(C)=O 306793721 345619307 /nfs/dbraw/zinc/61/93/07/345619307.db2.gz HAYNWOILLPSYLM-UHFFFAOYSA-N 0 0 199.637 2.133 10 0 AEAERN CCC(C)(C)NC(=O)NC1(C)CCC1 306792699 345619406 /nfs/dbraw/zinc/61/94/06/345619406.db2.gz BEZUEHIMLPCLEJ-UHFFFAOYSA-N 0 0 198.310 2.417 10 0 AEAERN CN[C@H](c1ccco1)c1cocc1C 306795099 345619652 /nfs/dbraw/zinc/61/96/52/345619652.db2.gz GHWPHXBDTTYXRX-NSHDSACASA-N 0 0 191.230 2.490 10 0 AEAERN CN[C@@H](c1ccco1)c1cocc1C 306795098 345619678 /nfs/dbraw/zinc/61/96/78/345619678.db2.gz GHWPHXBDTTYXRX-LLVKDONJSA-N 0 0 191.230 2.490 10 0 AEAERN Cc1cocc1C(=O)c1ccco1 306794131 345619734 /nfs/dbraw/zinc/61/97/34/345619734.db2.gz FRPZRSPCVZQDBL-UHFFFAOYSA-N 0 0 176.171 2.412 10 0 AEAERN Cc1noc(-c2nc(C)sc2C)n1 306794699 345619834 /nfs/dbraw/zinc/61/98/34/345619834.db2.gz ICCASUWCEJLWPW-UHFFFAOYSA-N 0 0 195.247 2.118 10 0 AEAERN Cc1ccc2c(c1)CN(CCF)C2 306796112 345620338 /nfs/dbraw/zinc/62/03/38/345620338.db2.gz VRZBEJHDCZWUQR-UHFFFAOYSA-N 0 0 179.238 2.280 10 0 AEAERN Cc1cocc1C(=O)c1ccncc1 306795971 345620369 /nfs/dbraw/zinc/62/03/69/345620369.db2.gz HEWAFPGUXXGGOS-UHFFFAOYSA-N 0 0 187.198 2.214 10 0 AEAERN O=C1COc2c1ccc(F)c2Cl 306796007 345620508 /nfs/dbraw/zinc/62/05/08/345620508.db2.gz HGOHWRMYZGBFAG-UHFFFAOYSA-N 0 0 186.569 2.054 10 0 AEAERN CC(C)C1(C(C)C)C[C@@H](O)CCO1 306796960 345620754 /nfs/dbraw/zinc/62/07/54/345620754.db2.gz AAJXAQBJWQZUMV-JTQLQIEISA-N 0 0 186.295 2.209 10 0 AEAERN S=c1nc(-c2ccns2)cc[nH]1 306796792 345621024 /nfs/dbraw/zinc/62/10/24/345621024.db2.gz JZFXMGWCPQBNKL-UHFFFAOYSA-N 0 0 195.272 2.263 10 0 AEAERN CC(C)C1(C(C)C)C[C@H](O)CCO1 306796961 345621210 /nfs/dbraw/zinc/62/12/10/345621210.db2.gz AAJXAQBJWQZUMV-SNVBAGLBSA-N 0 0 186.295 2.209 10 0 AEAERN Cc1csc(CNc2ncco2)n1 306797414 345621784 /nfs/dbraw/zinc/62/17/84/345621784.db2.gz YBNWLQGONSFLTG-UHFFFAOYSA-N 0 0 195.247 2.052 10 0 AEAERN CC[C@H](C)[C@]1(C)[C@H](C)NC(=O)[C@H]1C 306798936 345622125 /nfs/dbraw/zinc/62/21/25/345622125.db2.gz MOBVIAWRVCLXTL-DKIAZLNASA-N 0 0 183.295 2.193 10 0 AEAERN CC[C@H](C)[C@]1(C)[C@H](C)NC(=O)[C@@H]1C 306798938 345622204 /nfs/dbraw/zinc/62/22/04/345622204.db2.gz MOBVIAWRVCLXTL-KBIXCLLPSA-N 0 0 183.295 2.193 10 0 AEAERN CC[C@H](C)[C@]1(C)[C@@H](C)NC(=O)[C@@H]1C 306798934 345622211 /nfs/dbraw/zinc/62/22/11/345622211.db2.gz MOBVIAWRVCLXTL-CKEKPRIKSA-N 0 0 183.295 2.193 10 0 AEAERN C=C(Cl)C(=O)N[C@@H]1CCC[C@@H]1C 306799245 345622560 /nfs/dbraw/zinc/62/25/60/345622560.db2.gz MTFUKMJVRWBICX-POYBYMJQSA-N 0 0 187.670 2.044 10 0 AEAERN CC[C@H](C)[C@@]1(C)[C@H](C)C(=O)N[C@@H]1C 306799187 345622611 /nfs/dbraw/zinc/62/26/11/345622611.db2.gz MOBVIAWRVCLXTL-SJQPAMGKSA-N 0 0 183.295 2.193 10 0 AEAERN C=C(Cl)C(=O)N[C@@H]1CCC[C@H]1C 306799244 345622692 /nfs/dbraw/zinc/62/26/92/345622692.db2.gz MTFUKMJVRWBICX-HTRCEHHLSA-N 0 0 187.670 2.044 10 0 AEAERN C=C(Cl)C(=O)N[C@H]1CCC[C@@H]1C 306799247 345622828 /nfs/dbraw/zinc/62/28/28/345622828.db2.gz MTFUKMJVRWBICX-XPUUQOCRSA-N 0 0 187.670 2.044 10 0 AEAERN C=C(Cl)C(=O)N[C@H]1CCC[C@H]1C 306799246 345622836 /nfs/dbraw/zinc/62/28/36/345622836.db2.gz MTFUKMJVRWBICX-SVRRBLITSA-N 0 0 187.670 2.044 10 0 AEAERN C[C@@H]1C(=O)CC[C@H]1C[C@@H]1CCOC1 306800316 345622971 /nfs/dbraw/zinc/62/29/71/345622971.db2.gz OKTFAGZESJXHPF-GUBZILKMSA-N 0 0 182.263 2.028 10 0 AEAERN C[C@@H]1C(=O)CC[C@H]1C[C@H]1CCOC1 306800315 345623034 /nfs/dbraw/zinc/62/30/34/345623034.db2.gz OKTFAGZESJXHPF-AEJSXWLSSA-N 0 0 182.263 2.028 10 0 AEAERN C[C@@H]1CCCC[C@H]1C(N)=S 306801003 345623067 /nfs/dbraw/zinc/62/30/67/345623067.db2.gz QBKQCGLMMXVXNS-RNFRBKRXSA-N 0 0 157.282 2.099 10 0 AEAERN C[C@H]1CCCC[C@H]1C(N)=S 306801002 345623162 /nfs/dbraw/zinc/62/31/62/345623162.db2.gz QBKQCGLMMXVXNS-NKWVEPMBSA-N 0 0 157.282 2.099 10 0 AEAERN C[C@@H]1CCCC[C@@H]1C(N)=S 306801004 345623177 /nfs/dbraw/zinc/62/31/77/345623177.db2.gz QBKQCGLMMXVXNS-RQJHMYQMSA-N 0 0 157.282 2.099 10 0 AEAERN C[C@@H]1C(=O)CC[C@@H]1C[C@@H]1CCOC1 306800318 345623467 /nfs/dbraw/zinc/62/34/67/345623467.db2.gz OKTFAGZESJXHPF-LPEHRKFASA-N 0 0 182.263 2.028 10 0 AEAERN C[C@@H]1C(=O)CC[C@@H]1C[C@H]1CCOC1 306800317 345623469 /nfs/dbraw/zinc/62/34/69/345623469.db2.gz OKTFAGZESJXHPF-IVZWLZJFSA-N 0 0 182.263 2.028 10 0 AEAERN CCC(=O)c1cocc1C 306800986 345623487 /nfs/dbraw/zinc/62/34/87/345623487.db2.gz PZSBFQHUPVJJME-UHFFFAOYSA-N 0 0 138.166 2.181 10 0 AEAERN C[C@H]1CCCC[C@@H]1C(N)=S 306801001 345623533 /nfs/dbraw/zinc/62/35/33/345623533.db2.gz QBKQCGLMMXVXNS-BQBZGAKWSA-N 0 0 157.282 2.099 10 0 AEAERN COCC(C)(C)c1ncc(C)s1 306801090 345623758 /nfs/dbraw/zinc/62/37/58/345623758.db2.gz QIWJYEIVTLGWJI-UHFFFAOYSA-N 0 0 185.292 2.376 10 0 AEAERN CN(c1ncc(F)cc1N)C(C)(C)C 306801653 345623928 /nfs/dbraw/zinc/62/39/28/345623928.db2.gz ROQMKTMMVYKDFK-UHFFFAOYSA-N 0 0 197.257 2.038 10 0 AEAERN Nc1cc(N)c(F)c(C(F)(F)F)c1 306803485 345624892 /nfs/dbraw/zinc/62/48/92/345624892.db2.gz AQKHJWIZGZDKGH-UHFFFAOYSA-N 0 0 194.131 2.009 10 0 AEAERN C/C=C/CNc1nccnc1Cl 306804212 345625452 /nfs/dbraw/zinc/62/54/52/345625452.db2.gz XJUQZKLIWQQRMI-NSCUHMNNSA-N 0 0 183.642 2.118 10 0 AEAERN Cc1cocc1C(=O)C(F)(F)F 306806110 345626130 /nfs/dbraw/zinc/62/61/30/345626130.db2.gz IQQKDHYZHLVUTD-UHFFFAOYSA-N 0 0 178.109 2.333 10 0 AEAERN CNc1cnc(-c2cocc2C)cn1 306806155 345626285 /nfs/dbraw/zinc/62/62/85/345626285.db2.gz IWERMJGEOOAVIL-UHFFFAOYSA-N 0 0 189.218 2.087 10 0 AEAERN CSCC(=O)c1cocc1C 306805743 345626309 /nfs/dbraw/zinc/62/63/09/345626309.db2.gz IEXIFCPOBWVZHP-UHFFFAOYSA-N 0 0 170.233 2.134 10 0 AEAERN Cc1nc(C(=O)c2cocc2C)co1 306806560 345626646 /nfs/dbraw/zinc/62/66/46/345626646.db2.gz KBMXLGATIIEYEQ-UHFFFAOYSA-N 0 0 191.186 2.115 10 0 AEAERN Cc1cocc1C(=O)C1CCOCC1 306806919 345626709 /nfs/dbraw/zinc/62/67/09/345626709.db2.gz LGROEZVNLQGQSF-UHFFFAOYSA-N 0 0 194.230 2.197 10 0 AEAERN Cc1cocc1[C@](C)(O)C1CC1 306806860 345626777 /nfs/dbraw/zinc/62/67/77/345626777.db2.gz LBORGZVFHQEALV-SNVBAGLBSA-N 0 0 166.220 2.206 10 0 AEAERN Cc1cocc1C(=O)c1cscn1 306806324 345626834 /nfs/dbraw/zinc/62/68/34/345626834.db2.gz JIXMAJKNETUJEY-UHFFFAOYSA-N 0 0 193.227 2.276 10 0 AEAERN Cc1cocc1[C@@](C)(O)C1CC1 306806859 345626949 /nfs/dbraw/zinc/62/69/49/345626949.db2.gz LBORGZVFHQEALV-JTQLQIEISA-N 0 0 166.220 2.206 10 0 AEAERN CC(C)C[C@@H]1C[C@@H]1Nc1cccnn1 306807305 345627174 /nfs/dbraw/zinc/62/71/74/345627174.db2.gz LXBWNIXQQMNQKD-ZJUUUORDSA-N 0 0 191.278 2.323 10 0 AEAERN CC(C)C[C@H]1C[C@H]1Nc1cccnn1 306807304 345627202 /nfs/dbraw/zinc/62/72/02/345627202.db2.gz LXBWNIXQQMNQKD-VHSXEESVSA-N 0 0 191.278 2.323 10 0 AEAERN CC(C)C[C@H]1C[C@@H]1Nc1cccnn1 306807303 345627209 /nfs/dbraw/zinc/62/72/09/345627209.db2.gz LXBWNIXQQMNQKD-UWVGGRQHSA-N 0 0 191.278 2.323 10 0 AEAERN CC(C)C[C@@H]1C[C@H]1Nc1cccnn1 306807302 345627383 /nfs/dbraw/zinc/62/73/83/345627383.db2.gz LXBWNIXQQMNQKD-NXEZZACHSA-N 0 0 191.278 2.323 10 0 AEAERN O=c1c2ccccc2oc2[nH]ccc12 306807411 345627472 /nfs/dbraw/zinc/62/74/72/345627472.db2.gz MHBDNLIOQCROPT-UHFFFAOYSA-N 0 0 185.182 2.274 10 0 AEAERN Cc1cocc1[C@H](N)c1ccco1 306807777 345627653 /nfs/dbraw/zinc/62/76/53/345627653.db2.gz NDHOUZNMICXXCP-JTQLQIEISA-N 0 0 177.203 2.229 10 0 AEAERN Cc1cocc1[C@@H](N)c1ccco1 306807778 345628061 /nfs/dbraw/zinc/62/80/61/345628061.db2.gz NDHOUZNMICXXCP-SNVBAGLBSA-N 0 0 177.203 2.229 10 0 AEAERN Cc1cocc1[C@@H]1CCCC1=O 306808960 345628197 /nfs/dbraw/zinc/62/81/97/345628197.db2.gz QNOYTOTVIBPEIC-QMMMGPOBSA-N 0 0 164.204 2.425 10 0 AEAERN Cc1cocc1[C@H]1CCCC1=O 306808959 345628450 /nfs/dbraw/zinc/62/84/50/345628450.db2.gz QNOYTOTVIBPEIC-MRVPVSSYSA-N 0 0 164.204 2.425 10 0 AEAERN Cc1cocc1C(=O)[C@H]1OCC[C@H]1C 306809929 345628974 /nfs/dbraw/zinc/62/89/74/345628974.db2.gz SSJTUKZESDYCGM-HQJQHLMTSA-N 0 0 194.230 2.196 10 0 AEAERN Cc1cocc1C(=O)[C@@H]1OCC[C@H]1C 306809930 345628902 /nfs/dbraw/zinc/62/89/02/345628902.db2.gz SSJTUKZESDYCGM-RDDDGLTNSA-N 0 0 194.230 2.196 10 0 AEAERN Cc1cocc1[C@H](O)C(F)(F)Cl 306809914 345628907 /nfs/dbraw/zinc/62/89/07/345628907.db2.gz SQZNIDNEQAMKGB-LURJTMIESA-N 0 0 196.580 2.453 10 0 AEAERN Cc1cocc1C(=O)[C@H]1CCO[C@H]1C 306809690 345628926 /nfs/dbraw/zinc/62/89/26/345628926.db2.gz SIBVVZHMCZBJEY-IUCAKERBSA-N 0 0 194.230 2.196 10 0 AEAERN Cc1cocc1C(=O)[C@@H]1CCO[C@H]1C 306809689 345628929 /nfs/dbraw/zinc/62/89/29/345628929.db2.gz SIBVVZHMCZBJEY-DTWKUNHWSA-N 0 0 194.230 2.196 10 0 AEAERN Cc1cocc1[C@@H](O)C(F)(F)Cl 306809915 345628977 /nfs/dbraw/zinc/62/89/77/345628977.db2.gz SQZNIDNEQAMKGB-ZCFIWIBFSA-N 0 0 196.580 2.453 10 0 AEAERN Cc1cocc1C(=O)[C@H]1OCC[C@@H]1C 306809928 345629241 /nfs/dbraw/zinc/62/92/41/345629241.db2.gz SSJTUKZESDYCGM-CPCISQLKSA-N 0 0 194.230 2.196 10 0 AEAERN Cc1cocc1C(=O)[C@@H]1OCC[C@@H]1C 306809931 345629250 /nfs/dbraw/zinc/62/92/50/345629250.db2.gz SSJTUKZESDYCGM-WRWORJQWSA-N 0 0 194.230 2.196 10 0 AEAERN Cc1cocc1C(=O)[C@@H]1CCO[C@@H]1C 306809691 345629284 /nfs/dbraw/zinc/62/92/84/345629284.db2.gz SIBVVZHMCZBJEY-RKDXNWHRSA-N 0 0 194.230 2.196 10 0 AEAERN Cc1cocc1C(=O)[C@H]1CCO[C@@H]1C 306809688 345629307 /nfs/dbraw/zinc/62/93/07/345629307.db2.gz SIBVVZHMCZBJEY-BDAKNGLRSA-N 0 0 194.230 2.196 10 0 AEAERN Cc1cocc1[C@@]1(O)CC[C@@H]1C 306810301 345629500 /nfs/dbraw/zinc/62/95/00/345629500.db2.gz UFYNWSHQAXJIAA-WCBMZHEXSA-N 0 0 166.220 2.206 10 0 AEAERN CC(C)[C@H]1C(=O)N[C@H]1c1ccsc1 306810065 345629578 /nfs/dbraw/zinc/62/95/78/345629578.db2.gz SVJAUTRVHJXONW-BDAKNGLRSA-N 0 0 195.287 2.191 10 0 AEAERN Cc1cocc1[C@]1(O)CC[C@@H]1C 306810302 345629591 /nfs/dbraw/zinc/62/95/91/345629591.db2.gz UFYNWSHQAXJIAA-WPRPVWTQSA-N 0 0 166.220 2.206 10 0 AEAERN CC(C)[C@@H]1C(=O)N[C@@H]1c1ccsc1 306810066 345629667 /nfs/dbraw/zinc/62/96/67/345629667.db2.gz SVJAUTRVHJXONW-DTWKUNHWSA-N 0 0 195.287 2.191 10 0 AEAERN Cc1cocc1[C@@]1(O)CC[C@H]1C 306810299 345629717 /nfs/dbraw/zinc/62/97/17/345629717.db2.gz UFYNWSHQAXJIAA-PSASIEDQSA-N 0 0 166.220 2.206 10 0 AEAERN Cc1cocc1[C@]1(O)CC[C@H]1C 306810300 345629814 /nfs/dbraw/zinc/62/98/14/345629814.db2.gz UFYNWSHQAXJIAA-SCZZXKLOSA-N 0 0 166.220 2.206 10 0 AEAERN CC(C)[C@H]1C(=O)N[C@@H]1c1ccsc1 306810117 345629884 /nfs/dbraw/zinc/62/98/84/345629884.db2.gz SVJAUTRVHJXONW-RKDXNWHRSA-N 0 0 195.287 2.191 10 0 AEAERN CC(C)[C@@H]1C(=O)N[C@H]1c1ccsc1 306810116 345629900 /nfs/dbraw/zinc/62/99/00/345629900.db2.gz SVJAUTRVHJXONW-IUCAKERBSA-N 0 0 195.287 2.191 10 0 AEAERN Cc1cocc1C(=O)[C@@H]1C[C@H]1C 306811423 345630259 /nfs/dbraw/zinc/63/02/59/345630259.db2.gz WVCKCBQJHDLONP-HTRCEHHLSA-N 0 0 164.204 2.427 10 0 AEAERN Cc1cocc1C(=O)[C@@H]1C[C@@H]1C 306811424 345630277 /nfs/dbraw/zinc/63/02/77/345630277.db2.gz WVCKCBQJHDLONP-POYBYMJQSA-N 0 0 164.204 2.427 10 0 AEAERN Cc1cocc1C(=O)[C@H]1C[C@@H]1C 306811426 345630476 /nfs/dbraw/zinc/63/04/76/345630476.db2.gz WVCKCBQJHDLONP-XPUUQOCRSA-N 0 0 164.204 2.427 10 0 AEAERN Cc1cocc1C(=O)[C@H]1C[C@H]1C 306811425 345630542 /nfs/dbraw/zinc/63/05/42/345630542.db2.gz WVCKCBQJHDLONP-SVRRBLITSA-N 0 0 164.204 2.427 10 0 AEAERN C[C@H]1C[C@@H]1NC(=O)c1occc1Cl 306813403 345631378 /nfs/dbraw/zinc/63/13/78/345631378.db2.gz AMFHIWKZCVVVBW-FSPLSTOPSA-N 0 0 199.637 2.071 10 0 AEAERN CC1CC(c2nc(C3CC3)no2)C1 306813273 345631446 /nfs/dbraw/zinc/63/14/46/345631446.db2.gz BJZWHWWNKBKPKR-UHFFFAOYSA-N 0 0 178.235 2.461 10 0 AEAERN C[C@H]1C[C@H]1NC(=O)c1occc1Cl 306813397 345631485 /nfs/dbraw/zinc/63/14/85/345631485.db2.gz AMFHIWKZCVVVBW-CAHLUQPWSA-N 0 0 199.637 2.071 10 0 AEAERN Cc1noc(C)c1NC[C@H]1C[C@@H]1C 306813975 345631713 /nfs/dbraw/zinc/63/17/13/345631713.db2.gz CJHHKVBONZBAOV-IMTBSYHQSA-N 0 0 180.251 2.359 10 0 AEAERN CC(C)C(c1nccc(N)n1)C(C)C 306813853 345631785 /nfs/dbraw/zinc/63/17/85/345631785.db2.gz CGLBGDUVSIYVAI-UHFFFAOYSA-N 0 0 193.294 2.454 10 0 AEAERN Cc1noc(C)c1NC[C@@H]1C[C@H]1C 306814003 345631735 /nfs/dbraw/zinc/63/17/35/345631735.db2.gz CJHHKVBONZBAOV-MUWHJKNJSA-N 0 0 180.251 2.359 10 0 AEAERN Cc1noc(C)c1NC[C@@H]1C[C@@H]1C 306814024 345631798 /nfs/dbraw/zinc/63/17/98/345631798.db2.gz CJHHKVBONZBAOV-RCOVLWMOSA-N 0 0 180.251 2.359 10 0 AEAERN Cc1noc(C)c1NC[C@H]1C[C@H]1C 306813949 345631888 /nfs/dbraw/zinc/63/18/88/345631888.db2.gz CJHHKVBONZBAOV-HZGVNTEJSA-N 0 0 180.251 2.359 10 0 AEAERN CC(C)=CC[C@@H]1COC(C)(C)[C@H]1O 306815366 345632414 /nfs/dbraw/zinc/63/24/14/345632414.db2.gz IFFINWFCAAPFPR-ZJUUUORDSA-N 0 0 184.279 2.129 10 0 AEAERN CC(C)=CC[C@@H]1COC(C)(C)[C@@H]1O 306815338 345632407 /nfs/dbraw/zinc/63/24/07/345632407.db2.gz IFFINWFCAAPFPR-NXEZZACHSA-N 0 0 184.279 2.129 10 0 AEAERN Cn1cc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cn1 306815700 345632430 /nfs/dbraw/zinc/63/24/30/345632430.db2.gz DAHPNIZKYXGMEN-DVVUODLYSA-N 0 0 191.278 2.021 10 0 AEAERN CC(C)=CC[C@H]1COC(C)(C)[C@@H]1O 306815356 345632456 /nfs/dbraw/zinc/63/24/56/345632456.db2.gz IFFINWFCAAPFPR-VHSXEESVSA-N 0 0 184.279 2.129 10 0 AEAERN Clc1nc(NC2CC2)cs1 306816394 345632834 /nfs/dbraw/zinc/63/28/34/345632834.db2.gz DKJZSKFZWYIZOA-UHFFFAOYSA-N 0 0 174.656 2.371 10 0 AEAERN CC[C@H]1C[C@@H]1c1nnc(Cl)o1 306817870 345633230 /nfs/dbraw/zinc/63/32/30/345633230.db2.gz BSFWGXQQRCUPBG-WHFBIAKZSA-N 0 0 172.615 2.237 10 0 AEAERN Cc1nc(CN2[C@@H](C)C[C@H]2C)cs1 306818044 345633318 /nfs/dbraw/zinc/63/33/18/345633318.db2.gz DXLLLJANFOEBNM-OCAPTIKFSA-N 0 0 196.319 2.434 10 0 AEAERN COC(=O)Cc1ccc(C)c(C)c1F 306817587 345633368 /nfs/dbraw/zinc/63/33/68/345633368.db2.gz JBFYLVYUBOHMOV-UHFFFAOYSA-N 0 0 196.221 2.158 10 0 AEAERN 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306849010 345656176 /nfs/dbraw/zinc/65/61/76/345656176.db2.gz MJOXQTULGKYDOL-ZETCQYMHSA-N 0 0 177.251 2.032 10 0 AEAERN Cc1cocc1C(=O)c1ccoc1 306850133 345656921 /nfs/dbraw/zinc/65/69/21/345656921.db2.gz OTMKHHALDUPRCM-UHFFFAOYSA-N 0 0 176.171 2.412 10 0 AEAERN Cc1csc2ccc(=O)[nH]c12 306851265 345657297 /nfs/dbraw/zinc/65/72/97/345657297.db2.gz QHLQLNKJKODOTQ-UHFFFAOYSA-N 0 0 165.217 2.310 10 0 AEAERN C[C@]1(C(=O)C2CCC2)C[C@@H]1F 306852552 345657690 /nfs/dbraw/zinc/65/76/90/345657690.db2.gz SGBJZOADCPVAJA-CBAPKCEASA-N 0 0 156.200 2.104 10 0 AEAERN C[C@]1(C(=O)C2CCC2)C[C@H]1F 306852551 345657738 /nfs/dbraw/zinc/65/77/38/345657738.db2.gz SGBJZOADCPVAJA-APPZFPTMSA-N 0 0 156.200 2.104 10 0 AEAERN C[C@@]1(C(=O)C2CCC2)C[C@H]1F 306852557 345657779 /nfs/dbraw/zinc/65/77/79/345657779.db2.gz SGBJZOADCPVAJA-VXNVDRBHSA-N 0 0 156.200 2.104 10 0 AEAERN CC1(C)C[C@@H](Nc2nccs2)CO1 306852290 345657967 /nfs/dbraw/zinc/65/79/67/345657967.db2.gz RSJKQQMOSFRDOS-SSDOTTSWSA-N 0 0 198.291 2.123 10 0 AEAERN 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/nfs/dbraw/zinc/66/74/13/345667413.db2.gz MPWKNJLZPVPIFY-SCZZXKLOSA-N 0 0 177.251 2.077 10 0 AEAERN CC[C@]1(C)C[C@@H]1Nc1ccncn1 306865807 345667476 /nfs/dbraw/zinc/66/74/76/345667476.db2.gz MPWKNJLZPVPIFY-WCBMZHEXSA-N 0 0 177.251 2.077 10 0 AEAERN CC[C@]1(C)C[C@H]1Nc1ccncn1 306865805 345667491 /nfs/dbraw/zinc/66/74/91/345667491.db2.gz MPWKNJLZPVPIFY-PSASIEDQSA-N 0 0 177.251 2.077 10 0 AEAERN CC[C@@]1(C)C[C@@H]1Nc1ccncn1 306865808 345667635 /nfs/dbraw/zinc/66/76/35/345667635.db2.gz MPWKNJLZPVPIFY-WPRPVWTQSA-N 0 0 177.251 2.077 10 0 AEAERN C=C(Cl)C(=O)N[C@@H]1CC[C@@H](C)C1 306866323 345667853 /nfs/dbraw/zinc/66/78/53/345667853.db2.gz NWIPAFDUGWSLMH-HTRCEHHLSA-N 0 0 187.670 2.044 10 0 AEAERN C=C(Cl)C(=O)N[C@H]1CC[C@H](C)C1 306866331 345667905 /nfs/dbraw/zinc/66/79/05/345667905.db2.gz NWIPAFDUGWSLMH-XPUUQOCRSA-N 0 0 187.670 2.044 10 0 AEAERN O=C(c1ccc[nH]1)c1sccc1F 306866303 345667936 /nfs/dbraw/zinc/66/79/36/345667936.db2.gz NLKKBOJOQSMYJA-UHFFFAOYSA-N 0 0 195.218 2.446 10 0 AEAERN C=C(Cl)C(=O)N[C@@H]1CC[C@H](C)C1 306866325 345668031 /nfs/dbraw/zinc/66/80/31/345668031.db2.gz NWIPAFDUGWSLMH-POYBYMJQSA-N 0 0 187.670 2.044 10 0 AEAERN CCc1oc(=S)[nH]c1C1CC1 306866691 345668053 /nfs/dbraw/zinc/66/80/53/345668053.db2.gz OIJQTENSYQQNPN-UHFFFAOYSA-N 0 0 169.249 2.403 10 0 AEAERN C=C(Cl)C(=O)N[C@H]1CC[C@@H](C)C1 306866328 345668242 /nfs/dbraw/zinc/66/82/42/345668242.db2.gz NWIPAFDUGWSLMH-SVRRBLITSA-N 0 0 187.670 2.044 10 0 AEAERN CCc1c(OC)cc(F)cc1OC 306868161 345669002 /nfs/dbraw/zinc/66/90/02/345669002.db2.gz QOMSWTWGUQQYOB-UHFFFAOYSA-N 0 0 184.210 2.405 10 0 AEAERN CC[C@@]1(C)C[C@H]1Nc1ncccn1 306869595 345669553 /nfs/dbraw/zinc/66/95/53/345669553.db2.gz SGTDJFYGVDRZRO-SCZZXKLOSA-N 0 0 177.251 2.077 10 0 AEAERN CCc1cc(OC)c(F)c(OC)c1 306869262 345669672 /nfs/dbraw/zinc/66/96/72/345669672.db2.gz SMRYWOHGOOYLKU-UHFFFAOYSA-N 0 0 184.210 2.405 10 0 AEAERN CC[C@@]1(C)C[C@@H]1Nc1ncccn1 306869600 345669692 /nfs/dbraw/zinc/66/96/92/345669692.db2.gz SGTDJFYGVDRZRO-WPRPVWTQSA-N 0 0 177.251 2.077 10 0 AEAERN FCCNc1ncc2sccc2n1 306870210 345670249 /nfs/dbraw/zinc/67/02/49/345670249.db2.gz STDNNPBTXQZHRO-UHFFFAOYSA-N 0 0 197.238 2.073 10 0 AEAERN O=C(c1ccsc1)c1ccns1 306870215 345670265 /nfs/dbraw/zinc/67/02/65/345670265.db2.gz STEKRAZIVPBPEO-UHFFFAOYSA-N 0 0 195.268 2.436 10 0 AEAERN Cc1c(Cl)ccc2[nH]c(CO)nc12 306870058 345670312 /nfs/dbraw/zinc/67/03/12/345670312.db2.gz UUKUTDBAZFMFTB-UHFFFAOYSA-N 0 0 196.637 2.017 10 0 AEAERN CCC[C@H](C)C1C[C@@H](C)C(=N)N=N1 306871841 345670517 /nfs/dbraw/zinc/67/05/17/345670517.db2.gz YMAIOPIXGZMHGW-JGVFFNPUSA-N 0 0 181.283 2.176 10 0 AEAERN CCC[C@@H](C)C1C[C@H](C)C(=N)N=N1 306871842 345670531 /nfs/dbraw/zinc/67/05/31/345670531.db2.gz YMAIOPIXGZMHGW-SFYZADRCSA-N 0 0 181.283 2.176 10 0 AEAERN CCC[C@H](C)C1C[C@H](C)C(=N)N=N1 306871843 345670578 /nfs/dbraw/zinc/67/05/78/345670578.db2.gz YMAIOPIXGZMHGW-YUMQZZPRSA-N 0 0 181.283 2.176 10 0 AEAERN c1cc(NCc2cnsn2)cs1 306871734 345670810 /nfs/dbraw/zinc/67/08/10/345670810.db2.gz 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/nfs/dbraw/zinc/68/27/03/345682703.db2.gz RYWAIUPIDRYVRN-UHFFFAOYSA-N 0 0 199.200 2.435 10 0 AEAERN Cc1coc(N[C@H]2C[C@@H]2C2CC2)n1 306886293 345682742 /nfs/dbraw/zinc/68/27/42/345682742.db2.gz SFQVAQMYMRCSHQ-BDAKNGLRSA-N 0 0 178.235 2.193 10 0 AEAERN Cc1coc(N[C@@H]2C[C@H]2C2CC2)n1 306886294 345682772 /nfs/dbraw/zinc/68/27/72/345682772.db2.gz SFQVAQMYMRCSHQ-DTWKUNHWSA-N 0 0 178.235 2.193 10 0 AEAERN C[C@H](NO)c1ccc(O)c(Cl)c1 306886298 345682776 /nfs/dbraw/zinc/68/27/76/345682776.db2.gz SFWSPYZKUJAESN-YFKPBYRVSA-N 0 0 187.626 2.085 10 0 AEAERN Cc1nc(Cl)c2c(n1)COC2(C)C 306886677 345683337 /nfs/dbraw/zinc/68/33/37/345683337.db2.gz PRWRWANTUVBSFT-UHFFFAOYSA-N 0 0 198.653 2.204 10 0 AEAERN C[C@@](O)(CC1CC1)c1ccccn1 306887692 345683650 /nfs/dbraw/zinc/68/36/50/345683650.db2.gz UWFIGXXLBRSOLI-LLVKDONJSA-N 0 0 177.247 2.089 10 0 AEAERN C[C@](O)(CC1CC1)c1ccccn1 306887693 345683686 /nfs/dbraw/zinc/68/36/86/345683686.db2.gz UWFIGXXLBRSOLI-NSHDSACASA-N 0 0 177.247 2.089 10 0 AEAERN 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/nfs/dbraw/zinc/79/21/22/345792122.db2.gz VACJSWJBUFYWKO-UHFFFAOYSA-N 0 0 180.207 2.344 10 0 AEAERN Cc1cocc1[C@H]1CCC(=O)C1 307070205 345792141 /nfs/dbraw/zinc/79/21/41/345792141.db2.gz DRZLITPLWJJEGL-QMMMGPOBSA-N 0 0 164.204 2.425 10 0 AEAERN Cc1cocc1[C@@H]1CCC(=O)C1 307070204 345792195 /nfs/dbraw/zinc/79/21/95/345792195.db2.gz DRZLITPLWJJEGL-MRVPVSSYSA-N 0 0 164.204 2.425 10 0 AEAERN CC(C)C1(C(C)C)CC(=O)N[C@@H]1C 307070392 345792268 /nfs/dbraw/zinc/79/22/68/345792268.db2.gz VPICMEIDMCCJJK-SECBINFHSA-N 0 0 183.295 2.193 10 0 AEAERN C[C@@H]1C[C@H]1C(=O)N1CCCC1(C)C 307071491 345792958 /nfs/dbraw/zinc/79/29/58/345792958.db2.gz GPGPIMKVNYVPBB-RKDXNWHRSA-N 0 0 181.279 2.043 10 0 AEAERN CCNc1[nH+]cc(C)cc1C 307072406 345793561 /nfs/dbraw/zinc/79/35/61/345793561.db2.gz IFYMEWNXIDYVNS-UHFFFAOYSA-N 0 0 150.225 2.130 10 0 AEAERN C[C@@H]1C[NH+]=C(SC2CCCC2)N1 307072344 345793564 /nfs/dbraw/zinc/79/35/64/345793564.db2.gz ICGNKDUZXMZHHV-SSDOTTSWSA-N 0 0 184.308 2.010 10 0 AEAERN C[C@@H](N[C@H]1CCC1(C)C)C(F)F 307073546 345793776 /nfs/dbraw/zinc/79/37/76/345793776.db2.gz MOOSUQWDPZOKLT-RQJHMYQMSA-N 0 0 177.238 2.418 10 0 AEAERN CC(C)(C)CNc1ccc[nH]c1=O 307073637 345793797 /nfs/dbraw/zinc/79/37/97/345793797.db2.gz DALGMNXWBICJNX-UHFFFAOYSA-N 0 0 180.251 2.245 10 0 AEAERN Fc1c(Cl)[nH]ccc1=S 307073556 345793859 /nfs/dbraw/zinc/79/38/59/345793859.db2.gz JQMDQGSDPHRWKY-UHFFFAOYSA-N 0 0 163.604 2.163 10 0 AEAERN S=c1[nH]cncc1-c1ccsn1 307073525 345793879 /nfs/dbraw/zinc/79/38/79/345793879.db2.gz CZDQZQZJWGAMLD-UHFFFAOYSA-N 0 0 195.272 2.263 10 0 AEAERN C[C@H](N[C@H]1CCC1(C)C)C(F)F 307073495 345793925 /nfs/dbraw/zinc/79/39/25/345793925.db2.gz MOOSUQWDPZOKLT-BQBZGAKWSA-N 0 0 177.238 2.418 10 0 AEAERN CC(C)CC(=O)[C@]1(C)C[C@H]1F 307073109 345793940 /nfs/dbraw/zinc/79/39/40/345793940.db2.gz ZKBDEBBFSPUINB-VXNVDRBHSA-N 0 0 158.216 2.350 10 0 AEAERN CC(C)CC(=O)[C@@]1(C)C[C@@H]1F 307073107 345793951 /nfs/dbraw/zinc/79/39/51/345793951.db2.gz ZKBDEBBFSPUINB-CBAPKCEASA-N 0 0 158.216 2.350 10 0 AEAERN CC(C)CC(=O)[C@@]1(C)C[C@H]1F 307073106 345793980 /nfs/dbraw/zinc/79/39/80/345793980.db2.gz ZKBDEBBFSPUINB-APPZFPTMSA-N 0 0 158.216 2.350 10 0 AEAERN CC(C)CC(=O)[C@]1(C)C[C@@H]1F 307073108 345794065 /nfs/dbraw/zinc/79/40/65/345794065.db2.gz ZKBDEBBFSPUINB-IONNQARKSA-N 0 0 158.216 2.350 10 0 AEAERN C[C@H](N[C@@H]1CCC1(C)C)C(F)F 307073509 345794112 /nfs/dbraw/zinc/79/41/12/345794112.db2.gz MOOSUQWDPZOKLT-NKWVEPMBSA-N 0 0 177.238 2.418 10 0 AEAERN C[C@@H](N[C@@H]1CCC1(C)C)C(F)F 307073528 345794157 /nfs/dbraw/zinc/79/41/57/345794157.db2.gz MOOSUQWDPZOKLT-RNFRBKRXSA-N 0 0 177.238 2.418 10 0 AEAERN CCc1nsc(N2[C@@H](C)C[C@@H]2C)n1 307074536 345794346 /nfs/dbraw/zinc/79/43/46/345794346.db2.gz NAADNNLJLMXWJL-BQBZGAKWSA-N 0 0 197.307 2.088 10 0 AEAERN C=C(Cl)C(=O)NCc1ccccc1 307073729 345794394 /nfs/dbraw/zinc/79/43/94/345794394.db2.gz AEZDRRUVTZQLCA-UHFFFAOYSA-N 0 0 195.649 2.055 10 0 AEAERN CCc1nsc(N2[C@H](C)C[C@H]2C)n1 307074540 345794616 /nfs/dbraw/zinc/79/46/16/345794616.db2.gz NAADNNLJLMXWJL-RNFRBKRXSA-N 0 0 197.307 2.088 10 0 AEAERN CCc1nsc(N2[C@@H](C)C[C@H]2C)n1 307074538 345794659 /nfs/dbraw/zinc/79/46/59/345794659.db2.gz NAADNNLJLMXWJL-KNVOCYPGSA-N 0 0 197.307 2.088 10 0 AEAERN CC[C@]1(C)C[C@H]1Nc1ncns1 307074961 345795097 /nfs/dbraw/zinc/79/50/97/345795097.db2.gz BXNDDODDZXOABR-HTRCEHHLSA-N 0 0 183.280 2.139 10 0 AEAERN CC[C@]1(C)C[C@@H]1Nc1ncns1 307074962 345795115 /nfs/dbraw/zinc/79/51/15/345795115.db2.gz BXNDDODDZXOABR-POYBYMJQSA-N 0 0 183.280 2.139 10 0 AEAERN CC[C@@]1(C)C[C@H]1Nc1ncns1 307074963 345795180 /nfs/dbraw/zinc/79/51/80/345795180.db2.gz BXNDDODDZXOABR-SVRRBLITSA-N 0 0 183.280 2.139 10 0 AEAERN C[C@H](c1nn(C)c(=S)[nH]1)C(C)(C)C 307074886 345795302 /nfs/dbraw/zinc/79/53/02/345795302.db2.gz BPSURNTXALDYRP-ZCFIWIBFSA-N 0 0 199.323 2.253 10 0 AEAERN C[C@@H](c1nn(C)c(=S)[nH]1)C(C)(C)C 307074885 345795330 /nfs/dbraw/zinc/79/53/30/345795330.db2.gz BPSURNTXALDYRP-LURJTMIESA-N 0 0 199.323 2.253 10 0 AEAERN CC[C@@]1(C)C[C@@H]1Nc1ncns1 307074964 345795364 /nfs/dbraw/zinc/79/53/64/345795364.db2.gz BXNDDODDZXOABR-XPUUQOCRSA-N 0 0 183.280 2.139 10 0 AEAERN Cc1csc([C@@H](O)c2cc[nH]c2)c1 307075751 345795792 /nfs/dbraw/zinc/79/57/92/345795792.db2.gz FIRVZLHXVZORLQ-JTQLQIEISA-N 0 0 193.271 2.466 10 0 AEAERN Cc1csc([C@H](O)c2cc[nH]c2)c1 307075753 345795990 /nfs/dbraw/zinc/79/59/90/345795990.db2.gz FIRVZLHXVZORLQ-SNVBAGLBSA-N 0 0 193.271 2.466 10 0 AEAERN C[C@@H]1CC[C@@H]1n1cc[nH]c1=S 307076571 345796329 /nfs/dbraw/zinc/79/63/29/345796329.db2.gz OPUSHYYXXUCSJG-RQJHMYQMSA-N 0 0 168.265 2.143 10 0 AEAERN CSCc1nnc(C=C(C)C)o1 307077063 345796359 /nfs/dbraw/zinc/79/63/59/345796359.db2.gz PESIJDPFVBKUFN-UHFFFAOYSA-N 0 0 184.264 2.356 10 0 AEAERN S=c1[nH]c([C@H]2CCCO2)cs1 307076928 345796468 /nfs/dbraw/zinc/79/64/68/345796468.db2.gz DAOXCYOPGQNODK-ZCFIWIBFSA-N 0 0 187.289 2.283 10 0 AEAERN C[C@@H]1CC[C@H]1n1cc[nH]c1=S 307076569 345796557 /nfs/dbraw/zinc/79/65/57/345796557.db2.gz OPUSHYYXXUCSJG-RNFRBKRXSA-N 0 0 168.265 2.143 10 0 AEAERN C[C@H]1CC[C@@H]1n1cc[nH]c1=S 307076564 345796673 /nfs/dbraw/zinc/79/66/73/345796673.db2.gz OPUSHYYXXUCSJG-BQBZGAKWSA-N 0 0 168.265 2.143 10 0 AEAERN S=c1[nH]c([C@@H]2CCCO2)cs1 307076927 345796751 /nfs/dbraw/zinc/79/67/51/345796751.db2.gz DAOXCYOPGQNODK-LURJTMIESA-N 0 0 187.289 2.283 10 0 AEAERN C[C@H]1CC[C@H]1n1cc[nH]c1=S 307076566 345796816 /nfs/dbraw/zinc/79/68/16/345796816.db2.gz OPUSHYYXXUCSJG-NKWVEPMBSA-N 0 0 168.265 2.143 10 0 AEAERN FCCN1CCc2c(F)cccc21 307078270 345797169 /nfs/dbraw/zinc/79/71/69/345797169.db2.gz GSNNDIVJGDKRGY-UHFFFAOYSA-N 0 0 183.201 2.158 10 0 AEAERN FC1(F)CC(c2nc(Cl)no2)C1 307078983 345797541 /nfs/dbraw/zinc/79/75/41/345797541.db2.gz QTSJJYWRRWFZRH-UHFFFAOYSA-N 0 0 194.568 2.236 10 0 AEAERN Cc1coc(N[C@@H]2CCC[C@@H]2F)n1 307079628 345797645 /nfs/dbraw/zinc/79/76/45/345797645.db2.gz RHWBLOAVXGGGHK-JGVFFNPUSA-N 0 0 184.214 2.286 10 0 AEAERN Cc1cscc1-n1cnnc1Cl 307078845 345797679 /nfs/dbraw/zinc/79/76/79/345797679.db2.gz NBIKJZLOKGABRZ-UHFFFAOYSA-N 0 0 199.666 2.291 10 0 AEAERN CC(C)[C@@H](C)c1noc(Cl)n1 307080108 345797981 /nfs/dbraw/zinc/79/79/81/345797981.db2.gz IDXJQPKWSOERKQ-RXMQYKEDSA-N 0 0 174.631 2.483 10 0 AEAERN C[C@@H]1[C@@H](Nc2ncc(N)s2)C[C@H]1C 307079724 345798004 /nfs/dbraw/zinc/79/80/04/345798004.db2.gz NSFWLEWOAXYJNJ-VQVTYTSYSA-N 0 0 197.307 2.182 10 0 AEAERN CC(C)[C@H](C)c1noc(Cl)n1 307080109 345798155 /nfs/dbraw/zinc/79/81/55/345798155.db2.gz IDXJQPKWSOERKQ-YFKPBYRVSA-N 0 0 174.631 2.483 10 0 AEAERN C[C@@H]1C[C@H](Nc2ncc(N)s2)[C@@H]1C 307079723 345798248 /nfs/dbraw/zinc/79/82/48/345798248.db2.gz NSFWLEWOAXYJNJ-QYNIQEEDSA-N 0 0 197.307 2.182 10 0 AEAERN C[C@H]1[C@H](C)C[C@H]1Nc1ncc(N)s1 307079721 345798268 /nfs/dbraw/zinc/79/82/68/345798268.db2.gz NSFWLEWOAXYJNJ-DSYKOEDSSA-N 0 0 197.307 2.182 10 0 AEAERN C/C=C/CNc1ncc(C)c(C)n1 307080029 345798317 /nfs/dbraw/zinc/79/83/17/345798317.db2.gz RQOOSNFNWKLOKK-SNAWJCMRSA-N 0 0 177.251 2.081 10 0 AEAERN C[C@@H]1C[C@@H](Nc2ncc(N)s2)[C@@H]1C 307079722 345798324 /nfs/dbraw/zinc/79/83/24/345798324.db2.gz NSFWLEWOAXYJNJ-FSDSQADBSA-N 0 0 197.307 2.182 10 0 AEAERN Nc1c(F)cccc1OC(F)(F)F 307080862 345798708 /nfs/dbraw/zinc/79/87/08/345798708.db2.gz OROLFTZBSGWBAV-UHFFFAOYSA-N 0 0 195.115 2.307 10 0 AEAERN CC(C)(C)C(=O)C(C)(C)F 307082317 345799460 /nfs/dbraw/zinc/79/94/60/345799460.db2.gz ALQLDPLJXSGXNL-UHFFFAOYSA-N 0 0 146.205 2.350 10 0 AEAERN CSc1ccnc(N[C@H]2C[C@@H]2C)n1 307083091 345799922 /nfs/dbraw/zinc/79/99/22/345799922.db2.gz QNWIMYFPLLFTEL-BQBZGAKWSA-N 0 0 195.291 2.019 10 0 AEAERN CSc1ccnc(N[C@@H]2C[C@@H]2C)n1 307083092 345799993 /nfs/dbraw/zinc/79/99/93/345799993.db2.gz QNWIMYFPLLFTEL-NKWVEPMBSA-N 0 0 195.291 2.019 10 0 AEAERN CSc1ccnc(N[C@@H]2C[C@H]2C)n1 307083093 345800080 /nfs/dbraw/zinc/80/00/80/345800080.db2.gz QNWIMYFPLLFTEL-RNFRBKRXSA-N 0 0 195.291 2.019 10 0 AEAERN CSc1ccnc(N[C@H]2C[C@H]2C)n1 307083094 345800142 /nfs/dbraw/zinc/80/01/42/345800142.db2.gz QNWIMYFPLLFTEL-RQJHMYQMSA-N 0 0 195.291 2.019 10 0 AEAERN Cc1ccnc(C)c1NC1CSC1 307083368 345800229 /nfs/dbraw/zinc/80/02/29/345800229.db2.gz IBVOCEQFNHMJAH-UHFFFAOYSA-N 0 0 194.303 2.226 10 0 AEAERN Cc1coc(NCC(C)(C)C)n1 307084750 345800541 /nfs/dbraw/zinc/80/05/41/345800541.db2.gz LQWBNQYOUJDQLW-UHFFFAOYSA-N 0 0 168.240 2.441 10 0 AEAERN C/C=C/CNc1ncc(Cl)cc1N 307084544 345800653 /nfs/dbraw/zinc/80/06/53/345800653.db2.gz WJSNSPQPFFHYTH-NSCUHMNNSA-N 0 0 197.669 2.305 10 0 AEAERN Cc1cc([C@@H](O)c2cc[nH]c2)cs1 307085228 345801256 /nfs/dbraw/zinc/80/12/56/345801256.db2.gz XGBMJICGYQECLB-JTQLQIEISA-N 0 0 193.271 2.466 10 0 AEAERN C[C@@H](c1nccc(=O)[nH]1)C(C)(C)C 307086334 345801779 /nfs/dbraw/zinc/80/17/79/345801779.db2.gz KFKJUVYRFQURMK-ZETCQYMHSA-N 0 0 180.251 2.332 10 0 AEAERN CCC1(Nc2cc(C)cnn2)CC1 307086687 345801834 /nfs/dbraw/zinc/80/18/34/345801834.db2.gz YYHMRYTVKWBJOF-UHFFFAOYSA-N 0 0 177.251 2.140 10 0 AEAERN C[C@H](c1nccc(=O)[nH]1)C(C)(C)C 307086333 345801852 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DIZQDLOCRKJPAO-HTQZYQBOSA-N 0 0 197.303 2.485 10 0 AEAERN FC1(F)CC(c2nnc(Cl)o2)C1 307232738 345909728 /nfs/dbraw/zinc/90/97/28/345909728.db2.gz DQUISMWPHSEFMK-UHFFFAOYSA-N 0 0 194.568 2.236 10 0 AEAERN CC(F)(F)[C@H](NN)C1CCCCC1 307232385 345909784 /nfs/dbraw/zinc/90/97/84/345909784.db2.gz CVZRQHMQACAJNZ-MRVPVSSYSA-N 0 0 192.253 2.054 10 0 AEAERN CC(F)(F)[C@@H](NN)C1CCCCC1 307232386 345909834 /nfs/dbraw/zinc/90/98/34/345909834.db2.gz CVZRQHMQACAJNZ-QMMMGPOBSA-N 0 0 192.253 2.054 10 0 AEAERN C/C=C/CNc1ncnc(Cl)c1C 307234331 345910879 /nfs/dbraw/zinc/91/08/79/345910879.db2.gz FGSUAOOCEKBUJK-ONEGZZNKSA-N 0 0 197.669 2.426 10 0 AEAERN Cc1noc(-c2sccc2F)n1 307234432 345911666 /nfs/dbraw/zinc/91/16/66/345911666.db2.gz FHMRYWAVKKOJAC-UHFFFAOYSA-N 0 0 184.195 2.246 10 0 AEAERN Cc1nc(-c2ccnc(N)c2)cs1 307235798 345911954 /nfs/dbraw/zinc/91/19/54/345911954.db2.gz FTPIRZMNQNESHG-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1cocc1-c1cncc(O)c1 307235709 345912071 /nfs/dbraw/zinc/91/20/71/345912071.db2.gz NEUMUFQCFMPVEV-UHFFFAOYSA-N 0 0 175.187 2.356 10 0 AEAERN CC[C@H]1NC(=O)C[C@]12CCC2(C)C 307236559 345912439 /nfs/dbraw/zinc/91/24/39/345912439.db2.gz NOHXDJFIGNJHRF-LDYMZIIASA-N 0 0 181.279 2.091 10 0 AEAERN CC[C@@H]1NC(=O)C[C@]12CCC2(C)C 307236273 345912460 /nfs/dbraw/zinc/91/24/60/345912460.db2.gz NOHXDJFIGNJHRF-GZMMTYOYSA-N 0 0 181.279 2.091 10 0 AEAERN CC[C@@H]1NC(=O)C[C@@]12CCC2(C)C 307236558 345912480 /nfs/dbraw/zinc/91/24/80/345912480.db2.gz NOHXDJFIGNJHRF-KWQFWETISA-N 0 0 181.279 2.091 10 0 AEAERN CC[C@H]1NC(=O)C[C@@]12CCC2(C)C 307236274 345912639 /nfs/dbraw/zinc/91/26/39/345912639.db2.gz NOHXDJFIGNJHRF-KCJUWKMLSA-N 0 0 181.279 2.091 10 0 AEAERN O[C@H](CC1CC1)C1CC(F)(F)C1 307236683 345912964 /nfs/dbraw/zinc/91/29/64/345912964.db2.gz GHLJJXRCKHKYQF-MRVPVSSYSA-N 0 0 176.206 2.193 10 0 AEAERN C/C=C/CNc1nc(Cl)ncc1C 307236629 345913051 /nfs/dbraw/zinc/91/30/51/345913051.db2.gz GFGCIAQTQYEPOQ-ONEGZZNKSA-N 0 0 197.669 2.426 10 0 AEAERN O[C@@H](CC1CC1)C1CC(F)(F)C1 307236684 345913062 /nfs/dbraw/zinc/91/30/62/345913062.db2.gz GHLJJXRCKHKYQF-QMMMGPOBSA-N 0 0 176.206 2.193 10 0 AEAERN C[C@@H](CC(C)(C)O)Nc1cccnc1 307237688 345913494 /nfs/dbraw/zinc/91/34/94/345913494.db2.gz GWAYTOOFXNDHOM-VIFPVBQESA-N 0 0 194.278 2.043 10 0 AEAERN CC[C@@H](C)c1cnc(NC)nc1 307237784 345913520 /nfs/dbraw/zinc/91/35/20/345913520.db2.gz OKWQYNYLUJQANK-SSDOTTSWSA-N 0 0 165.240 2.032 10 0 AEAERN CC[C@H](C)c1cnc(NC)nc1 307237786 345913538 /nfs/dbraw/zinc/91/35/38/345913538.db2.gz OKWQYNYLUJQANK-ZETCQYMHSA-N 0 0 165.240 2.032 10 0 AEAERN C[C@H](CC(C)(C)O)Nc1cccnc1 307237683 345913588 /nfs/dbraw/zinc/91/35/88/345913588.db2.gz GWAYTOOFXNDHOM-SECBINFHSA-N 0 0 194.278 2.043 10 0 AEAERN C[C@H]1NC(=O)C[C@]1(C)CC(C)(C)C 307238060 345913994 /nfs/dbraw/zinc/91/39/94/345913994.db2.gz HAIXYMVSTBKGLB-LDYMZIIASA-N 0 0 183.295 2.337 10 0 AEAERN O=Cc1cccn1CC1CC(F)(F)C1 307238056 345914050 /nfs/dbraw/zinc/91/40/50/345914050.db2.gz HAIVAFBOYLXTDF-UHFFFAOYSA-N 0 0 199.200 2.346 10 0 AEAERN O=C1CCCC[C@H]1c1ccns1 307238701 345914081 /nfs/dbraw/zinc/91/40/81/345914081.db2.gz ZJJJFLONBPMWPK-SSDOTTSWSA-N 0 0 181.260 2.370 10 0 AEAERN C[C@@H]1NC(=O)C[C@@]1(C)CC(C)(C)C 307238059 345914127 /nfs/dbraw/zinc/91/41/27/345914127.db2.gz HAIXYMVSTBKGLB-KWQFWETISA-N 0 0 183.295 2.337 10 0 AEAERN O=C1CCCC[C@@H]1c1ccns1 307238702 345914274 /nfs/dbraw/zinc/91/42/74/345914274.db2.gz ZJJJFLONBPMWPK-ZETCQYMHSA-N 0 0 181.260 2.370 10 0 AEAERN C[C@@H]1NC(=O)C[C@]1(C)CC(C)(C)C 307238057 345914363 /nfs/dbraw/zinc/91/43/63/345914363.db2.gz HAIXYMVSTBKGLB-GZMMTYOYSA-N 0 0 183.295 2.337 10 0 AEAERN C[C@H]1NC(=O)C[C@@]1(C)CC(C)(C)C 307238058 345914390 /nfs/dbraw/zinc/91/43/90/345914390.db2.gz HAIXYMVSTBKGLB-KCJUWKMLSA-N 0 0 183.295 2.337 10 0 AEAERN CC1(C2(Nc3ncns3)CC2)CC1 307239186 345914610 /nfs/dbraw/zinc/91/46/10/345914610.db2.gz GCEIYVPCYWDWCO-UHFFFAOYSA-N 0 0 195.291 2.283 10 0 AEAERN CC1CC(Nc2cnc(Cl)cn2)C1 307240363 345915212 /nfs/dbraw/zinc/91/52/12/345915212.db2.gz GZYDMSPRSQECED-UHFFFAOYSA-N 0 0 197.669 2.340 10 0 AEAERN C/C=C/CNC(=O)N1CCC(C)CC1 307240430 345915748 /nfs/dbraw/zinc/91/57/48/345915748.db2.gz IBMWQLOLHJJKBA-ONEGZZNKSA-N 0 0 196.294 2.004 10 0 AEAERN Cc1ccc2c(c1F)C[C@@H](C)[C@H]2O 307241981 345916327 /nfs/dbraw/zinc/91/63/27/345916327.db2.gz JCKYUGPPQQZVMF-RDDDGLTNSA-N 0 0 180.222 2.360 10 0 AEAERN Cc1ccc2c(c1F)C[C@H](C)[C@H]2O 307241982 345916392 /nfs/dbraw/zinc/91/63/92/345916392.db2.gz JCKYUGPPQQZVMF-WRWORJQWSA-N 0 0 180.222 2.360 10 0 AEAERN Cc1ccc2c(c1F)C[C@H](C)[C@@H]2O 307241977 345916397 /nfs/dbraw/zinc/91/63/97/345916397.db2.gz JCKYUGPPQQZVMF-CPCISQLKSA-N 0 0 180.222 2.360 10 0 AEAERN Cc1ccc2c(c1F)C[C@@H](C)[C@@H]2O 307241979 345916403 /nfs/dbraw/zinc/91/64/03/345916403.db2.gz JCKYUGPPQQZVMF-HQJQHLMTSA-N 0 0 180.222 2.360 10 0 AEAERN Cc1nc(-c2ccns2)ccc1N 307241418 345916619 /nfs/dbraw/zinc/91/66/19/345916619.db2.gz HVCZUQRSCSRWSG-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1cc(-c2cscn2)c[nH]c1=O 307242868 345916893 /nfs/dbraw/zinc/91/68/93/345916893.db2.gz JREFPZVVGHOIDZ-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN Cn1ccnc1[C@](C)(O)CC(C)(C)C 307242454 345917222 /nfs/dbraw/zinc/91/72/22/345917222.db2.gz JKEVHWRXLYMYNE-LLVKDONJSA-N 0 0 196.294 2.064 10 0 AEAERN Nc1c(F)cc(F)cc1OC(F)F 307242967 345917240 /nfs/dbraw/zinc/91/72/40/345917240.db2.gz SJAJQYOPBVIXSV-UHFFFAOYSA-N 0 0 195.115 2.148 10 0 AEAERN Cn1ccnc1[C@@](C)(O)CC(C)(C)C 307242455 345917256 /nfs/dbraw/zinc/91/72/56/345917256.db2.gz JKEVHWRXLYMYNE-NSHDSACASA-N 0 0 196.294 2.064 10 0 AEAERN C[C@@H]1CCC[C@H]1c1nc(C=O)c[nH]1 307243854 345917807 /nfs/dbraw/zinc/91/78/07/345917807.db2.gz KPZYBZPBWFCJDE-VXNVDRBHSA-N 0 0 178.235 2.126 10 0 AEAERN C[C@@H]1CCC[C@@H]1c1nc(C=O)c[nH]1 307243851 345917833 /nfs/dbraw/zinc/91/78/33/345917833.db2.gz KPZYBZPBWFCJDE-APPZFPTMSA-N 0 0 178.235 2.126 10 0 AEAERN C[C@@H]1CCC[C@@H](c2nnc(N)s2)C1 307244475 345918091 /nfs/dbraw/zinc/91/80/91/345918091.db2.gz LGFSYIJWLOAZEV-RNFRBKRXSA-N 0 0 197.307 2.414 10 0 AEAERN C[C@H]1CCC[C@@H](c2nnc(N)s2)C1 307244474 345918176 /nfs/dbraw/zinc/91/81/76/345918176.db2.gz LGFSYIJWLOAZEV-NKWVEPMBSA-N 0 0 197.307 2.414 10 0 AEAERN C[C@H]1CCC[C@H](c2nnc(N)s2)C1 307244472 345918231 /nfs/dbraw/zinc/91/82/31/345918231.db2.gz LGFSYIJWLOAZEV-BQBZGAKWSA-N 0 0 197.307 2.414 10 0 AEAERN C[C@@H]1CCC[C@H](c2nnc(N)s2)C1 307244477 345918234 /nfs/dbraw/zinc/91/82/34/345918234.db2.gz LGFSYIJWLOAZEV-RQJHMYQMSA-N 0 0 197.307 2.414 10 0 AEAERN Cc1nc(C(=O)C2(C)CC2)cs1 307245279 345918811 /nfs/dbraw/zinc/91/88/11/345918811.db2.gz MBVVQFFSAVOVNM-UHFFFAOYSA-N 0 0 181.260 2.434 10 0 AEAERN C/C=C/CNc1ccc(C)cn1 307245259 345918835 /nfs/dbraw/zinc/91/88/35/345918835.db2.gz MARLBKVAFJNFQN-ONEGZZNKSA-N 0 0 162.236 2.378 10 0 AEAERN CC1(C)CC(Nc2ncns2)C1 307245436 345918856 /nfs/dbraw/zinc/91/88/56/345918856.db2.gz VZZUHQRTPYLQIW-UHFFFAOYSA-N 0 0 183.280 2.139 10 0 AEAERN CCC[C@@H](O)C1CC(F)(F)C1 307245634 345919196 /nfs/dbraw/zinc/91/91/96/345919196.db2.gz MNJJHCAFNOVMRM-SSDOTTSWSA-N 0 0 164.195 2.193 10 0 AEAERN CCC[C@H](O)C1CC(F)(F)C1 307245751 345919246 /nfs/dbraw/zinc/91/92/46/345919246.db2.gz MNJJHCAFNOVMRM-ZETCQYMHSA-N 0 0 164.195 2.193 10 0 AEAERN C[C@@H]1CC[C@@H]1n1ccc(=O)[nH]c1=S 307247807 345920268 /nfs/dbraw/zinc/92/02/68/345920268.db2.gz MWNUTTGHMZWALO-RQJHMYQMSA-N 0 0 196.275 2.289 10 0 AEAERN Cc1ccc(NCC2(F)CC2)cn1 307247465 345920309 /nfs/dbraw/zinc/92/03/09/345920309.db2.gz DKWQOYNFKMBHTJ-UHFFFAOYSA-N 0 0 180.226 2.304 10 0 AEAERN C[C@@H]1CC[C@H]1n1ccc(=O)[nH]c1=S 307247806 345920384 /nfs/dbraw/zinc/92/03/84/345920384.db2.gz MWNUTTGHMZWALO-RNFRBKRXSA-N 0 0 196.275 2.289 10 0 AEAERN CCC1(Nc2ncccc2N)CC1 307247854 345920392 /nfs/dbraw/zinc/92/03/92/345920392.db2.gz HATZMFGMVOCBBO-UHFFFAOYSA-N 0 0 177.251 2.018 10 0 AEAERN C[C@H]1CC[C@@H]1n1ccc(=O)[nH]c1=S 307247573 345920410 /nfs/dbraw/zinc/92/04/10/345920410.db2.gz MWNUTTGHMZWALO-BQBZGAKWSA-N 0 0 196.275 2.289 10 0 AEAERN CCN(c1nc(C)c[nH]1)C1CCCC1 307247652 345920488 /nfs/dbraw/zinc/92/04/88/345920488.db2.gz AFWRASYCJCJBHV-UHFFFAOYSA-N 0 0 193.294 2.487 10 0 AEAERN Cc1cc(N)cc([C@H](O)CC2CC2)c1 307248236 345920756 /nfs/dbraw/zinc/92/07/56/345920756.db2.gz DXVLTZXPMQESLW-GFCCVEGCSA-N 0 0 191.274 2.411 10 0 AEAERN Cc1nc([C@@]2(C)CC[C@@H](O)C2)cs1 307248895 345920783 /nfs/dbraw/zinc/92/07/83/345920783.db2.gz NPFBPUDRRBPXAN-SCZZXKLOSA-N 0 0 197.303 2.254 10 0 AEAERN Cc1nc([C@@]2(C)CC[C@H](O)C2)cs1 307248897 345920786 /nfs/dbraw/zinc/92/07/86/345920786.db2.gz NPFBPUDRRBPXAN-WPRPVWTQSA-N 0 0 197.303 2.254 10 0 AEAERN Cc1nc([C@]2(C)CC[C@@H](O)C2)cs1 307248894 345920820 /nfs/dbraw/zinc/92/08/20/345920820.db2.gz NPFBPUDRRBPXAN-PSASIEDQSA-N 0 0 197.303 2.254 10 0 AEAERN Cc1cc(N)cc([C@@H](O)CC2CC2)c1 307248237 345920834 /nfs/dbraw/zinc/92/08/34/345920834.db2.gz DXVLTZXPMQESLW-LBPRGKRZSA-N 0 0 191.274 2.411 10 0 AEAERN Cc1ccc(O)cc1-c1cncnc1 307248028 345920914 /nfs/dbraw/zinc/92/09/14/345920914.db2.gz NDJKXMUWEIYVDK-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Cc1nc([C@]2(C)CC[C@H](O)C2)cs1 307248896 345921155 /nfs/dbraw/zinc/92/11/55/345921155.db2.gz NPFBPUDRRBPXAN-WCBMZHEXSA-N 0 0 197.303 2.254 10 0 AEAERN CCC(O)(CC)c1csc(C)n1 307249294 345921377 /nfs/dbraw/zinc/92/13/77/345921377.db2.gz OGNNQTSGKYSNNG-UHFFFAOYSA-N 0 0 185.292 2.459 10 0 AEAERN CNc1nc([C@H]2CCC[C@H]2C)no1 307249397 345921501 /nfs/dbraw/zinc/92/15/01/345921501.db2.gz OKCCJEYSVPMMCP-RQJHMYQMSA-N 0 0 181.239 2.015 10 0 AEAERN C/C=C/CNc1nccs1 307249532 345921569 /nfs/dbraw/zinc/92/15/69/345921569.db2.gz ONNYVFLLBIPFAC-NSCUHMNNSA-N 0 0 154.238 2.131 10 0 AEAERN CNc1nc([C@H]2CCC[C@@H]2C)no1 307249393 345921582 /nfs/dbraw/zinc/92/15/82/345921582.db2.gz OKCCJEYSVPMMCP-BQBZGAKWSA-N 0 0 181.239 2.015 10 0 AEAERN CNc1nc([C@@H]2CCC[C@@H]2C)no1 307249395 345921721 /nfs/dbraw/zinc/92/17/21/345921721.db2.gz OKCCJEYSVPMMCP-NKWVEPMBSA-N 0 0 181.239 2.015 10 0 AEAERN CNc1nc([C@@H]2CCC[C@H]2C)no1 307249396 345921791 /nfs/dbraw/zinc/92/17/91/345921791.db2.gz OKCCJEYSVPMMCP-RNFRBKRXSA-N 0 0 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/nfs/dbraw/zinc/94/96/74/345949674.db2.gz ZJIRMZHLHRFQBZ-NKWVEPMBSA-N 0 0 197.307 2.387 10 0 AEAERN Cc1cscc1N1CCC(=O)CC1 307289783 345949756 /nfs/dbraw/zinc/94/97/56/345949756.db2.gz ZGZUSKMTHDJUTE-UHFFFAOYSA-N 0 0 195.287 2.226 10 0 AEAERN CCN1CCc2cc(F)c(F)cc21 307289662 345949767 /nfs/dbraw/zinc/94/97/67/345949767.db2.gz ZEOVPSFNNVZEII-UHFFFAOYSA-N 0 0 183.201 2.347 10 0 AEAERN C[C@@H]1CCC[C@H](C2N=NC(=S)N2)C1 307289805 345949803 /nfs/dbraw/zinc/94/98/03/345949803.db2.gz ZJIRMZHLHRFQBZ-RQJHMYQMSA-N 0 0 197.307 2.387 10 0 AEAERN Nc1c(O)cc(C(F)(F)F)cc1F 307289899 345949907 /nfs/dbraw/zinc/94/99/07/345949907.db2.gz HQMNHOPFGZSZRX-UHFFFAOYSA-N 0 0 195.115 2.132 10 0 AEAERN C[C@H]1CCC[C@H](C2N=NC(=S)N2)C1 307289802 345949920 /nfs/dbraw/zinc/94/99/20/345949920.db2.gz ZJIRMZHLHRFQBZ-BQBZGAKWSA-N 0 0 197.307 2.387 10 0 AEAERN C[C@@H]1CCC[C@@H](C2N=NC(=S)N2)C1 307289804 345950007 /nfs/dbraw/zinc/95/00/07/345950007.db2.gz ZJIRMZHLHRFQBZ-RNFRBKRXSA-N 0 0 197.307 2.387 10 0 AEAERN 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/nfs/dbraw/zinc/95/23/49/345952349.db2.gz NATNDHYRSAZLPP-UHFFFAOYSA-N 0 0 191.759 2.342 10 0 AEAERN CC1CN(C(=O)C2CCCCC2)C1 307295884 345952853 /nfs/dbraw/zinc/95/28/53/345952853.db2.gz QAPSRADDLNYQBG-UHFFFAOYSA-N 0 0 181.279 2.045 10 0 AEAERN Nc1cc(C(F)(F)F)c(N)cc1F 307296127 345952883 /nfs/dbraw/zinc/95/28/83/345952883.db2.gz PYIWXUKYTVGLJM-UHFFFAOYSA-N 0 0 194.131 2.009 10 0 AEAERN Oc1cc(F)cc(OC(F)F)c1F 307295526 345952966 /nfs/dbraw/zinc/95/29/66/345952966.db2.gz HMWYNGZKDGUOOS-UHFFFAOYSA-N 0 0 196.099 2.272 10 0 AEAERN Nc1ccc(F)c(F)c1C(F)F 307296205 345953053 /nfs/dbraw/zinc/95/30/53/345953053.db2.gz QOBBTDXKKQCGAZ-UHFFFAOYSA-N 0 0 179.116 2.485 10 0 AEAERN C1=CC[C@@H](CNc2cccnn2)CC1 307298013 345954115 /nfs/dbraw/zinc/95/41/15/345954115.db2.gz QDZFNAOLQFMJME-SNVBAGLBSA-N 0 0 189.262 2.245 10 0 AEAERN Cc1nc(C(C)(C)C(C)(C)C)n[nH]1 307299231 345954790 /nfs/dbraw/zinc/95/47/90/345954790.db2.gz VBBCXQLFSBNFGQ-UHFFFAOYSA-N 0 0 181.283 2.437 10 0 AEAERN CC(C)=C(F)C(=O)N[C@@H]1CC[C@H]1C 307300668 345955481 /nfs/dbraw/zinc/95/54/81/345955481.db2.gz WGBQLLFSCUZTJF-HTQZYQBOSA-N 0 0 185.242 2.165 10 0 AEAERN CC(C)=C(F)C(=O)N[C@H]1CC[C@@H]1C 307300674 345955863 /nfs/dbraw/zinc/95/58/63/345955863.db2.gz WGBQLLFSCUZTJF-YUMQZZPRSA-N 0 0 185.242 2.165 10 0 AEAERN CC(C)=C(F)C(=O)N[C@H]1CC[C@H]1C 307300672 345955942 /nfs/dbraw/zinc/95/59/42/345955942.db2.gz WGBQLLFSCUZTJF-SFYZADRCSA-N 0 0 185.242 2.165 10 0 AEAERN CC(C)=C(F)C(=O)N[C@@H]1CC[C@@H]1C 307300670 345956115 /nfs/dbraw/zinc/95/61/15/345956115.db2.gz WGBQLLFSCUZTJF-JGVFFNPUSA-N 0 0 185.242 2.165 10 0 AEAERN Cc1c[n+]([O-])ccc1NCCC(C)C 307302209 345957042 /nfs/dbraw/zinc/95/70/42/345957042.db2.gz VCSFYBDKFUZNSV-UHFFFAOYSA-N 0 0 194.278 2.086 10 0 AEAERN Nc1cccc(Cl)c1N1CCC1 307302281 345957094 /nfs/dbraw/zinc/95/70/94/345957094.db2.gz YPKRKCYIDFEZRI-UHFFFAOYSA-N 0 0 182.654 2.132 10 0 AEAERN Clc1cnc(NC2CCCC2)cn1 307303093 345957427 /nfs/dbraw/zinc/95/74/27/345957427.db2.gz OFRNPUBXUDQALS-UHFFFAOYSA-N 0 0 197.669 2.485 10 0 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/nfs/dbraw/zinc/03/27/28/346032728.db2.gz IHKMKIGEYDHHSH-UHFFFAOYSA-N 0 0 186.280 2.083 10 0 AEAERN CCOc1c(C)ccc(O)c1C 307423941 346032953 /nfs/dbraw/zinc/03/29/53/346032953.db2.gz CYOAVSDISNSBNP-UHFFFAOYSA-N 0 0 166.220 2.408 10 0 AEAERN C[C@H]1C[C@H]1c1noc(C2CC2)n1 307425566 346033591 /nfs/dbraw/zinc/03/35/91/346033591.db2.gz OWQOBJMDGDHXAN-CAHLUQPWSA-N 0 0 164.208 2.070 10 0 AEAERN C[C@H]1C[C@@H]1c1noc(C2CC2)n1 307425567 346033637 /nfs/dbraw/zinc/03/36/37/346033637.db2.gz OWQOBJMDGDHXAN-FSPLSTOPSA-N 0 0 164.208 2.070 10 0 AEAERN CCOc1cc(C)c(C)c(O)c1 307425336 346033900 /nfs/dbraw/zinc/03/39/00/346033900.db2.gz PKBPJNVZNXJMAR-UHFFFAOYSA-N 0 0 166.220 2.408 10 0 AEAERN C=Cc1cc(F)c(N)cc1C 307425925 346034121 /nfs/dbraw/zinc/03/41/21/346034121.db2.gz QBKNLPPOLWMRFM-UHFFFAOYSA-N 0 0 151.184 2.359 10 0 AEAERN CC(F)(F)C(=O)CC1CCC1 307427147 346034558 /nfs/dbraw/zinc/03/45/58/346034558.db2.gz YQFVTHIBQYFDJA-UHFFFAOYSA-N 0 0 162.179 2.401 10 0 AEAERN Cc1cc([C@H]([NH3+])C2(C)CC2)sn1 307426976 346034622 /nfs/dbraw/zinc/03/46/22/346034622.db2.gz QAKHBJGPQORKSV-QMMMGPOBSA-N 0 0 182.292 2.251 10 0 AEAERN CC(F)(F)[C@H](N)c1ccsc1 307427078 346034632 /nfs/dbraw/zinc/03/46/32/346034632.db2.gz YBHHEIWQUZOECQ-ZCFIWIBFSA-N 0 0 177.219 2.403 10 0 AEAERN CC(F)(F)[C@@H](N)c1ccsc1 307427077 346034667 /nfs/dbraw/zinc/03/46/67/346034667.db2.gz YBHHEIWQUZOECQ-LURJTMIESA-N 0 0 177.219 2.403 10 0 AEAERN Cc1cc([C@@H]([NH3+])C2(C)CC2)sn1 307426975 346034764 /nfs/dbraw/zinc/03/47/64/346034764.db2.gz QAKHBJGPQORKSV-MRVPVSSYSA-N 0 0 182.292 2.251 10 0 AEAERN Nc1cc(F)cc(O)c1C(F)(F)F 307427056 346034791 /nfs/dbraw/zinc/03/47/91/346034791.db2.gz GMIICPWJTHBRNW-UHFFFAOYSA-N 0 0 195.115 2.132 10 0 AEAERN Fc1ccc(=S)[nH]c1Cl 307427835 346034854 /nfs/dbraw/zinc/03/48/54/346034854.db2.gz HAYKDRYVPSHCKQ-UHFFFAOYSA-N 0 0 163.604 2.163 10 0 AEAERN Cc1nc(C(=O)[C@@H]2C[C@H]2C)cs1 307428652 346035051 /nfs/dbraw/zinc/03/50/51/346035051.db2.gz UMFHKYVNORIKSN-IYSWYEEDSA-N 0 0 181.260 2.290 10 0 AEAERN Cc1nc(C(=O)[C@H]2C[C@H]2C)cs1 307428653 346035120 /nfs/dbraw/zinc/03/51/20/346035120.db2.gz UMFHKYVNORIKSN-VDTYLAMSSA-N 0 0 181.260 2.290 10 0 AEAERN Cc1nc(C(=O)[C@H]2C[C@@H]2C)cs1 307428651 346035315 /nfs/dbraw/zinc/03/53/15/346035315.db2.gz UMFHKYVNORIKSN-FSPLSTOPSA-N 0 0 181.260 2.290 10 0 AEAERN Cc1nc(C(=O)[C@@H]2C[C@@H]2C)cs1 307428650 346035320 /nfs/dbraw/zinc/03/53/20/346035320.db2.gz UMFHKYVNORIKSN-CAHLUQPWSA-N 0 0 181.260 2.290 10 0 AEAERN Cc1cscc1NCC[C@@H](C)O 307429881 346035725 /nfs/dbraw/zinc/03/57/25/346035725.db2.gz VWLWVBJRLNGXNV-MRVPVSSYSA-N 0 0 185.292 2.239 10 0 AEAERN Cc1cc(-c2cccnc2N)sn1 307429409 346035727 /nfs/dbraw/zinc/03/57/27/346035727.db2.gz UHEWDNFNKRRETK-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Fc1ccnc(OC(F)F)c1Cl 307430127 346035870 /nfs/dbraw/zinc/03/58/70/346035870.db2.gz JWYXBPGCOZRWJG-UHFFFAOYSA-N 0 0 197.543 2.476 10 0 AEAERN CC(C)C(=O)CC1(C)CC1 307430814 346036152 /nfs/dbraw/zinc/03/61/52/346036152.db2.gz WSAXOBVCLKBEDH-UHFFFAOYSA-N 0 0 140.226 2.402 10 0 AEAERN Oc1cc(Cl)ccc1-c1ncc[nH]1 307431204 346036340 /nfs/dbraw/zinc/03/63/40/346036340.db2.gz LFTWIWPHARVECR-UHFFFAOYSA-N 0 0 194.621 2.436 10 0 AEAERN Nc1cc(F)c(C(F)F)c(F)c1 307432542 346036815 /nfs/dbraw/zinc/03/68/15/346036815.db2.gz MWOMGWUEARJNHA-UHFFFAOYSA-N 0 0 179.116 2.485 10 0 AEAERN Cc1cnn([C@H](C)C2CCC2)c1N 307432804 346036827 /nfs/dbraw/zinc/03/68/27/346036827.db2.gz IWSXITNLFCWEJR-MRVPVSSYSA-N 0 0 179.267 2.135 10 0 AEAERN CC(C)OC(=O)N[C@H]1CCC1(C)C 307431924 346036855 /nfs/dbraw/zinc/03/68/55/346036855.db2.gz YJYMWTOWZFPDJJ-QMMMGPOBSA-N 0 0 185.267 2.310 10 0 AEAERN CNc1cc(C)c(C2CCC2)nn1 307432048 346036909 /nfs/dbraw/zinc/03/69/09/346036909.db2.gz YSPGHTYUUIFCIS-UHFFFAOYSA-N 0 0 177.251 2.094 10 0 AEAERN C/C=C/CNc1nc(C)cnc1C 307432868 346037611 /nfs/dbraw/zinc/03/76/11/346037611.db2.gz IXXPWWYUEGKVRN-SNAWJCMRSA-N 0 0 177.251 2.081 10 0 AEAERN C[C@@H]1CCCCCN1c1ncc[nH]1 307434015 346037842 /nfs/dbraw/zinc/03/78/42/346037842.db2.gz LPPRXOKAOAXCTN-SECBINFHSA-N 0 0 179.267 2.179 10 0 AEAERN CCNc1n[nH]c(C(C)(C)C)c1C 307433993 346037857 /nfs/dbraw/zinc/03/78/57/346037857.db2.gz LOAJLPSQQBVMQY-UHFFFAOYSA-N 0 0 181.283 2.447 10 0 AEAERN C[C@H]1CCCCCN1c1ncc[nH]1 307434016 346038136 /nfs/dbraw/zinc/03/81/36/346038136.db2.gz LPPRXOKAOAXCTN-VIFPVBQESA-N 0 0 179.267 2.179 10 0 AEAERN Cc1csc(C2N=NC(=S)O2)c1 307435421 346038627 /nfs/dbraw/zinc/03/86/27/346038627.db2.gz KOKYMPHSWKIZEU-UHFFFAOYSA-N 0 0 198.272 2.395 10 0 AEAERN Cc1ccnc(N[C@H](C)C(F)F)c1 307436689 346039076 /nfs/dbraw/zinc/03/90/76/346039076.db2.gz RJFGJGADJTYJEO-SSDOTTSWSA-N 0 0 186.205 2.456 10 0 AEAERN CCOc1ccc(C)c(O)c1C 307436309 346039106 /nfs/dbraw/zinc/03/91/06/346039106.db2.gz QUNLHYSATQFIAR-UHFFFAOYSA-N 0 0 166.220 2.408 10 0 AEAERN Cc1ccnc(N[C@@H](C)C(F)F)c1 307436690 346039191 /nfs/dbraw/zinc/03/91/91/346039191.db2.gz RJFGJGADJTYJEO-ZETCQYMHSA-N 0 0 186.205 2.456 10 0 AEAERN CCn1cnc(C(=O)[C@H]2CC2(C)C)c1 307437102 346039583 /nfs/dbraw/zinc/03/95/83/346039583.db2.gz UMSOGXJXZCTTOV-MRVPVSSYSA-N 0 0 192.262 2.132 10 0 AEAERN CCn1cnc(C(=O)[C@@H]2CC2(C)C)c1 307437103 346039785 /nfs/dbraw/zinc/03/97/85/346039785.db2.gz UMSOGXJXZCTTOV-QMMMGPOBSA-N 0 0 192.262 2.132 10 0 AEAERN CCNc1nc2cc(N)ccc2s1 307437734 346039793 /nfs/dbraw/zinc/03/97/93/346039793.db2.gz QTFVHTBHUJEEMA-UHFFFAOYSA-N 0 0 193.275 2.310 10 0 AEAERN Cc1cocc1C(=O)C(F)F 307438335 346040289 /nfs/dbraw/zinc/04/02/89/346040289.db2.gz MLJZOJGTZSGLTM-UHFFFAOYSA-N 0 0 160.119 2.036 10 0 AEAERN COC(=O)c1cc(OC)c(C)cc1C 307438750 346040532 /nfs/dbraw/zinc/04/05/32/346040532.db2.gz UJUDOMQZLLVETC-UHFFFAOYSA-N 0 0 194.230 2.099 10 0 AEAERN C[C@@]1(C(=O)c2cccnc2)C[C@H]1F 307439605 346041135 /nfs/dbraw/zinc/04/11/35/346041135.db2.gz XCVMZYXKVCASMG-PSASIEDQSA-N 0 0 179.194 2.012 10 0 AEAERN C[C@@]1(C(=O)c2cccnc2)C[C@@H]1F 307439607 346041170 /nfs/dbraw/zinc/04/11/70/346041170.db2.gz XCVMZYXKVCASMG-WCBMZHEXSA-N 0 0 179.194 2.012 10 0 AEAERN C[C@]1(C(=O)c2cccnc2)C[C@H]1F 307439606 346041178 /nfs/dbraw/zinc/04/11/78/346041178.db2.gz XCVMZYXKVCASMG-SCZZXKLOSA-N 0 0 179.194 2.012 10 0 AEAERN Cc1[nH]c(=O)sc1CC(C)(C)C 307440256 346041259 /nfs/dbraw/zinc/04/12/59/346041259.db2.gz YCBPBUQUKPXCRF-UHFFFAOYSA-N 0 0 185.292 2.333 10 0 AEAERN CCC(=O)Nc1cc(Cl)ncc1C 307439593 346041287 /nfs/dbraw/zinc/04/12/87/346041287.db2.gz XAOJRQKQSSAZHB-UHFFFAOYSA-N 0 0 198.653 2.392 10 0 AEAERN CC(C)C1(C(C)C)CC(=O)CCO1 307439616 346041317 /nfs/dbraw/zinc/04/13/17/346041317.db2.gz XEEPWLDNWNPGMW-UHFFFAOYSA-N 0 0 184.279 2.417 10 0 AEAERN C[C@]1(C(=O)c2cccnc2)C[C@@H]1F 307439608 346041428 /nfs/dbraw/zinc/04/14/28/346041428.db2.gz XCVMZYXKVCASMG-WPRPVWTQSA-N 0 0 179.194 2.012 10 0 AEAERN Cc1cc([C@H]2CC[C@@H](O)C2)sn1 307440959 346041809 /nfs/dbraw/zinc/04/18/09/346041809.db2.gz YRVVPSVTYCDLEM-JGVFFNPUSA-N 0 0 183.276 2.080 10 0 AEAERN Cc1cc([C@@H]2CC[C@H](O)C2)sn1 307440960 346041833 /nfs/dbraw/zinc/04/18/33/346041833.db2.gz YRVVPSVTYCDLEM-SFYZADRCSA-N 0 0 183.276 2.080 10 0 AEAERN Cc1cc([C@H]2CC[C@H](O)C2)sn1 307440961 346041935 /nfs/dbraw/zinc/04/19/35/346041935.db2.gz YRVVPSVTYCDLEM-YUMQZZPRSA-N 0 0 183.276 2.080 10 0 AEAERN Cc1cc([C@@H]2CC[C@@H](O)C2)sn1 307440958 346041951 /nfs/dbraw/zinc/04/19/51/346041951.db2.gz YRVVPSVTYCDLEM-HTQZYQBOSA-N 0 0 183.276 2.080 10 0 AEAERN CC1(C)CCC[C@@H]1Sc1c[nH]nn1 307441562 346042272 /nfs/dbraw/zinc/04/22/72/346042272.db2.gz AKRQQYYBKPARFV-ZETCQYMHSA-N 0 0 197.307 2.476 10 0 AEAERN CC1(C)CCC[C@H]1Sc1c[nH]nn1 307441561 346042330 /nfs/dbraw/zinc/04/23/30/346042330.db2.gz AKRQQYYBKPARFV-SSDOTTSWSA-N 0 0 197.307 2.476 10 0 AEAERN Nc1ncnc(C2=CCCC2)c1Cl 307442103 346042571 /nfs/dbraw/zinc/04/25/71/346042571.db2.gz AENDEUOSOGEFLN-UHFFFAOYSA-N 0 0 195.653 2.280 10 0 AEAERN CC[C@H]1C[C@H]1Nc1cnc(Cl)cn1 307442927 346042755 /nfs/dbraw/zinc/04/27/55/346042755.db2.gz BFHSIAOPOVWAHK-NKWVEPMBSA-N 0 0 197.669 2.340 10 0 AEAERN CC[C@H]1C[C@@H]1Nc1cnc(Cl)cn1 307442925 346043024 /nfs/dbraw/zinc/04/30/24/346043024.db2.gz BFHSIAOPOVWAHK-BQBZGAKWSA-N 0 0 197.669 2.340 10 0 AEAERN CC[C@@H]1C[C@H]1Nc1cnc(Cl)cn1 307442929 346043116 /nfs/dbraw/zinc/04/31/16/346043116.db2.gz BFHSIAOPOVWAHK-RNFRBKRXSA-N 0 0 197.669 2.340 10 0 AEAERN Cc1c[nH]c(N2CCCC[C@H]2C)n1 307443473 346043283 /nfs/dbraw/zinc/04/32/83/346043283.db2.gz AURVEEAOWJBNIT-SECBINFHSA-N 0 0 179.267 2.097 10 0 AEAERN Cc1c[nH]c(N2CCCC[C@@H]2C)n1 307443474 346043372 /nfs/dbraw/zinc/04/33/72/346043372.db2.gz AURVEEAOWJBNIT-VIFPVBQESA-N 0 0 179.267 2.097 10 0 AEAERN C[C@H](n1ccc(N)n1)C(C)(C)C 307442965 346043451 /nfs/dbraw/zinc/04/34/51/346043451.db2.gz BHVOSLGINMQJRN-ZETCQYMHSA-N 0 0 167.256 2.072 10 0 AEAERN Fc1cc2c(cc1F)SCCN2 307443223 346043485 /nfs/dbraw/zinc/04/34/85/346043485.db2.gz OAEUYSZUZFNQIM-UHFFFAOYSA-N 0 0 187.214 2.482 10 0 AEAERN C[C@@H](n1ccc(N)n1)C(C)(C)C 307442963 346043618 /nfs/dbraw/zinc/04/36/18/346043618.db2.gz BHVOSLGINMQJRN-SSDOTTSWSA-N 0 0 167.256 2.072 10 0 AEAERN C[C@H](c1nnc(Cl)o1)C(C)(F)F 307443798 346043811 /nfs/dbraw/zinc/04/38/11/346043811.db2.gz CMNTUMHMYAUCRP-GSVOUGTGSA-N 0 0 196.584 2.482 10 0 AEAERN C[C@H](NO)c1ccc2[nH]ccc2c1 307444470 346043857 /nfs/dbraw/zinc/04/38/57/346043857.db2.gz DNDIPYARFKRGHY-ZETCQYMHSA-N 0 0 176.219 2.208 10 0 AEAERN Cc1cc([C@H](N)c2ccns2)co1 307444418 346043906 /nfs/dbraw/zinc/04/39/06/346043906.db2.gz DGSMTATZVWXFQV-VIFPVBQESA-N 0 0 194.259 2.093 10 0 AEAERN Cc1cc([C@@H](N)c2ccns2)co1 307444416 346043932 /nfs/dbraw/zinc/04/39/32/346043932.db2.gz DGSMTATZVWXFQV-SECBINFHSA-N 0 0 194.259 2.093 10 0 AEAERN C[C@@H](c1nnc(Cl)o1)C(C)(F)F 307443799 346043957 /nfs/dbraw/zinc/04/39/57/346043957.db2.gz CMNTUMHMYAUCRP-VKHMYHEASA-N 0 0 196.584 2.482 10 0 AEAERN CC1CCC(C(=O)CN2CCC2)CC1 307443800 346044111 /nfs/dbraw/zinc/04/41/11/346044111.db2.gz CMPOTDJWLMDVRN-UHFFFAOYSA-N 0 0 195.306 2.088 10 0 AEAERN CC[C@@H]1CC[C@](O)(c2ccc[nH]2)C1 307446211 346044945 /nfs/dbraw/zinc/04/49/45/346044945.db2.gz WIDCDJLFYMRSDO-MWLCHTKSSA-N 0 0 179.263 2.412 10 0 AEAERN 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CCc1nc(/C=C(/C)CO)cs1 307515508 346085742 /nfs/dbraw/zinc/08/57/42/346085742.db2.gz GXZSCHRXIYYYBH-DAXSKMNVSA-N 0 0 183.276 2.101 10 0 AEAERN CCNc1nc(C)ccc1Cl 307516172 346086275 /nfs/dbraw/zinc/08/62/75/346086275.db2.gz HGMBHSDPHCKHGT-UHFFFAOYSA-N 0 0 170.643 2.475 10 0 AEAERN Cc1csc(-c2cc(N)no2)c1 307516473 346086328 /nfs/dbraw/zinc/08/63/28/346086328.db2.gz SOEQOKCPXOKYIJ-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN Cc1sc([C@H]2CC[C@@H](C)O2)nc1N 307516762 346086658 /nfs/dbraw/zinc/08/66/58/346086658.db2.gz WHEAKEYNGBNECJ-IYSWYEEDSA-N 0 0 198.291 2.274 10 0 AEAERN Cc1oc(N)nc1-c1ccsc1 307517404 346086749 /nfs/dbraw/zinc/08/67/49/346086749.db2.gz UELNLWDMZWEISF-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN Cc1sc([C@@H]2CC[C@H](C)O2)nc1N 307516760 346086770 /nfs/dbraw/zinc/08/67/70/346086770.db2.gz WHEAKEYNGBNECJ-FSPLSTOPSA-N 0 0 198.291 2.274 10 0 AEAERN Cc1sc([C@H]2CC[C@H](C)O2)nc1N 307516759 346086790 /nfs/dbraw/zinc/08/67/90/346086790.db2.gz WHEAKEYNGBNECJ-CAHLUQPWSA-N 0 0 198.291 2.274 10 0 AEAERN Cc1nsc(NC2(C(C)C)CC2)n1 307518123 346087476 /nfs/dbraw/zinc/08/74/76/346087476.db2.gz UTLJXJZFUOXWNX-UHFFFAOYSA-N 0 0 197.307 2.447 10 0 AEAERN CCC1(C)CCC(NC(N)=O)CC1 307517620 346087526 /nfs/dbraw/zinc/08/75/26/346087526.db2.gz XFRPGHKTABQNPP-UHFFFAOYSA-N 0 0 184.283 2.014 10 0 AEAERN Cc1cc([C@@]2(O)CCC2(C)C)sn1 307519042 346087758 /nfs/dbraw/zinc/08/77/58/346087758.db2.gz LZPZZORKEPARDC-JTQLQIEISA-N 0 0 197.303 2.459 10 0 AEAERN Cc1cc([C@]2(O)CCC2(C)C)sn1 307519044 346088049 /nfs/dbraw/zinc/08/80/49/346088049.db2.gz LZPZZORKEPARDC-SNVBAGLBSA-N 0 0 197.303 2.459 10 0 AEAERN Fc1ccc(NCC2(F)CC2)nc1 307519516 346088159 /nfs/dbraw/zinc/08/81/59/346088159.db2.gz NEUMUQAMOFIALZ-UHFFFAOYSA-N 0 0 184.189 2.135 10 0 AEAERN FC(F)c1nnc(-c2ccc[nH]2)o1 307519704 346088222 /nfs/dbraw/zinc/08/82/22/346088222.db2.gz OAMMFEJGYCWJOA-UHFFFAOYSA-N 0 0 185.133 2.002 10 0 AEAERN [NH3+]Cc1cc(F)c(F)cc1C(F)F 307520538 346088947 /nfs/dbraw/zinc/08/89/47/346088947.db2.gz XVHAHVGFSCCBGK-UHFFFAOYSA-N 0 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IJQAOABSNFEWLL-UHFFFAOYSA-N 0 0 166.268 2.273 10 0 AEAERN CCc1c[nH]c(N2CCCCCC2)n1 307524412 346090980 /nfs/dbraw/zinc/09/09/80/346090980.db2.gz CULFYVQEEICYNV-UHFFFAOYSA-N 0 0 193.294 2.353 10 0 AEAERN CCOc1cc(O)cc(C)c1C 307525416 346091429 /nfs/dbraw/zinc/09/14/29/346091429.db2.gz FVJQWTVNVGKMQO-UHFFFAOYSA-N 0 0 166.220 2.408 10 0 AEAERN Cc1ccc(F)cc1[C@H](C)NO 307524616 346091637 /nfs/dbraw/zinc/09/16/37/346091637.db2.gz IUEMSCQXUFNBNY-ZETCQYMHSA-N 0 0 169.199 2.174 10 0 AEAERN Fc1cc(Cl)nc(OC(F)F)c1 307526457 346091972 /nfs/dbraw/zinc/09/19/72/346091972.db2.gz JBVFSXCFZFJGOY-UHFFFAOYSA-N 0 0 197.543 2.476 10 0 AEAERN COCCSCC1CCC1 307525706 346092108 /nfs/dbraw/zinc/09/21/08/346092108.db2.gz DQYLNRFUUHMKNQ-UHFFFAOYSA-N 0 0 160.282 2.166 10 0 AEAERN Cc1cc(N)c(OCCF)cc1F 307526811 346092767 /nfs/dbraw/zinc/09/27/67/346092767.db2.gz FOZOGHVJAFPICC-UHFFFAOYSA-N 0 0 187.189 2.065 10 0 AEAERN c1cnc2c(c1)[nH]c1cccnc12 307527651 346093354 /nfs/dbraw/zinc/09/33/54/346093354.db2.gz KYFNFSNNFQWJJL-UHFFFAOYSA-N 0 0 169.187 2.063 10 0 AEAERN c1csc(N[C@H]2C[C@@H]3C[C@@H]3C2)n1 307529422 346094161 /nfs/dbraw/zinc/09/41/61/346094161.db2.gz LOEOZCHJGADKCG-RNLVFQAGSA-N 0 0 180.276 2.354 10 0 AEAERN Nc1ncccc1C1=CCCC1 307529289 346094169 /nfs/dbraw/zinc/09/41/69/346094169.db2.gz ODHXQNMYBRYFIU-UHFFFAOYSA-N 0 0 160.220 2.231 10 0 AEAERN Cc1cc(C)nc(C(=O)C2CC2)c1 307530010 346094231 /nfs/dbraw/zinc/09/42/31/346094231.db2.gz VDDUFAYNXDOLQX-UHFFFAOYSA-N 0 0 175.231 2.291 10 0 AEAERN Fc1cnc(Cl)cc1OC(F)F 307529721 346094270 /nfs/dbraw/zinc/09/42/70/346094270.db2.gz MKMDTTHSOCHUKK-UHFFFAOYSA-N 0 0 197.543 2.476 10 0 AEAERN Cc1cnn([C@@H]2CCC2(C)C)c1N 307529410 346094274 /nfs/dbraw/zinc/09/42/74/346094274.db2.gz LNLPDRZOPQSZFS-MRVPVSSYSA-N 0 0 179.267 2.135 10 0 AEAERN Cc1cc(Cl)n(-c2cccnc2)n1 307530081 346094387 /nfs/dbraw/zinc/09/43/87/346094387.db2.gz MXOKYHLKDJDBAN-UHFFFAOYSA-N 0 0 193.637 2.229 10 0 AEAERN CCc1cc(F)cc(OC)c1OC 307529825 346094414 /nfs/dbraw/zinc/09/44/14/346094414.db2.gz PLHIYKCIGIHDLY-UHFFFAOYSA-N 0 0 184.210 2.405 10 0 AEAERN CC[C@@H](NO)c1ccc(F)cc1F 307529925 346094440 /nfs/dbraw/zinc/09/44/40/346094440.db2.gz LSPQHUMKSGQTSY-SECBINFHSA-N 0 0 187.189 2.395 10 0 AEAERN Cc1cnn([C@H]2CCC2(C)C)c1N 307529411 346094491 /nfs/dbraw/zinc/09/44/91/346094491.db2.gz LNLPDRZOPQSZFS-QMMMGPOBSA-N 0 0 179.267 2.135 10 0 AEAERN CCc1c(OC)ccc(OC)c1F 307531232 346095041 /nfs/dbraw/zinc/09/50/41/346095041.db2.gz UBNITCNTGGKDPY-UHFFFAOYSA-N 0 0 184.210 2.405 10 0 AEAERN Cc1cnc(-c2ccsn2)c(N)c1 307531745 346095199 /nfs/dbraw/zinc/09/51/99/346095199.db2.gz XTRAPAHORAQLBQ-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1cc([C@@H]2CCCC2=O)sn1 307531516 346095385 /nfs/dbraw/zinc/09/53/85/346095385.db2.gz XKEPXLAFILVWCD-SSDOTTSWSA-N 0 0 181.260 2.288 10 0 AEAERN Cc1ccoc1C1=NC(=O)CS1 307532093 346095408 /nfs/dbraw/zinc/09/54/08/346095408.db2.gz XFTPIQQUUZXDKT-UHFFFAOYSA-N 0 0 181.216 2.417 10 0 AEAERN Cc1coc(NCC2(F)CCC2)n1 307531537 346095461 /nfs/dbraw/zinc/09/54/61/346095461.db2.gz XNSTXNATMKFZHR-UHFFFAOYSA-N 0 0 184.214 2.287 10 0 AEAERN CC(=O)OC[C@H]1CCCC(F)(F)C1 307532921 346095772 /nfs/dbraw/zinc/09/57/72/346095772.db2.gz ZZXGCZBDEYRAPR-QMMMGPOBSA-N 0 0 192.205 2.375 10 0 AEAERN CC(=O)OC[C@@H]1CCCC(F)(F)C1 307532919 346095846 /nfs/dbraw/zinc/09/58/46/346095846.db2.gz ZZXGCZBDEYRAPR-MRVPVSSYSA-N 0 0 192.205 2.375 10 0 AEAERN Cc1noc(NCC2=CCCCC2)n1 307533834 346096347 /nfs/dbraw/zinc/09/63/47/346096347.db2.gz NSNHZLNUGIQJLY-UHFFFAOYSA-N 0 0 193.250 2.290 10 0 AEAERN CC1(C)C[C@H]1[C@@](C)(O)c1ccc[nH]1 307533547 346096358 /nfs/dbraw/zinc/09/63/58/346096358.db2.gz IGHMXOVJYKPEGO-LDYMZIIASA-N 0 0 179.263 2.268 10 0 AEAERN CC1(C)C[C@@H]1[C@@](C)(O)c1ccc[nH]1 307533544 346096366 /nfs/dbraw/zinc/09/63/66/346096366.db2.gz IGHMXOVJYKPEGO-GZMMTYOYSA-N 0 0 179.263 2.268 10 0 AEAERN CC1(C)C[C@H]1[C@](C)(O)c1ccc[nH]1 307533545 346096449 /nfs/dbraw/zinc/09/64/49/346096449.db2.gz IGHMXOVJYKPEGO-KCJUWKMLSA-N 0 0 179.263 2.268 10 0 AEAERN CC1(C)C[C@@H]1[C@](C)(O)c1ccc[nH]1 307533546 346096600 /nfs/dbraw/zinc/09/66/00/346096600.db2.gz IGHMXOVJYKPEGO-KWQFWETISA-N 0 0 179.263 2.268 10 0 AEAERN Nc1ccccc1NCCC(F)F 307535150 346097579 /nfs/dbraw/zinc/09/75/79/346097579.db2.gz QQWVLMMXJJSKCL-UHFFFAOYSA-N 0 0 186.205 2.336 10 0 AEAERN O=Cc1ccc(-c2ccns2)o1 307535602 346097691 /nfs/dbraw/zinc/09/76/91/346097691.db2.gz KFJQPLSIUTZHSI-UHFFFAOYSA-N 0 0 179.200 2.216 10 0 AEAERN CC1(C)C[C@@H]1[C@@](C)(N)C(F)(F)F 307536451 346098023 /nfs/dbraw/zinc/09/80/23/346098023.db2.gz LCKBWCLRYPCWTD-CAHLUQPWSA-N 0 0 181.201 2.312 10 0 AEAERN CO[C@H]1CCC[C@H]1c1cnc(N)s1 307536614 346098028 /nfs/dbraw/zinc/09/80/28/346098028.db2.gz PTYVNWLPTPKVIT-RQJHMYQMSA-N 0 0 198.291 2.008 10 0 AEAERN CC1(C)C[C@H]1[C@@](C)(N)C(F)(F)F 307536457 346098191 /nfs/dbraw/zinc/09/81/91/346098191.db2.gz LCKBWCLRYPCWTD-IYSWYEEDSA-N 0 0 181.201 2.312 10 0 AEAERN CC[C@H]1CCCN(c2ncc[nH]2)C1 307537232 346098581 /nfs/dbraw/zinc/09/85/81/346098581.db2.gz 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/nfs/dbraw/zinc/09/99/50/346099950.db2.gz XASZDMZUELHVLX-UHFFFAOYSA-N 0 0 178.235 2.014 10 0 AEAERN COc1cc(F)cnc1C(F)(F)F 307539682 346100219 /nfs/dbraw/zinc/10/02/19/346100219.db2.gz YRLDNUMCCAZTFG-UHFFFAOYSA-N 0 0 195.115 2.248 10 0 AEAERN CCC[C@@H](C)Nc1ccc(=O)[nH]c1 307541002 346101278 /nfs/dbraw/zinc/10/12/78/346101278.db2.gz XDLMKHPFAPNQNZ-MRVPVSSYSA-N 0 0 180.251 2.388 10 0 AEAERN CCC[C@H](C)Nc1ccc(=O)[nH]c1 307541004 346101335 /nfs/dbraw/zinc/10/13/35/346101335.db2.gz XDLMKHPFAPNQNZ-QMMMGPOBSA-N 0 0 180.251 2.388 10 0 AEAERN CCOc1cc(F)c(N)cc1Cl 307542031 346101824 /nfs/dbraw/zinc/10/18/24/346101824.db2.gz OYVVQJWMOSRPGF-UHFFFAOYSA-N 0 0 189.617 2.460 10 0 AEAERN CC(C)(C)Nc1ncc(F)cc1N 307542177 346101828 /nfs/dbraw/zinc/10/18/28/346101828.db2.gz PGIHZIRCNKSRPO-UHFFFAOYSA-N 0 0 183.230 2.013 10 0 AEAERN C=C(Cl)C(=O)NC1CC(C)(C)C1 307542002 346102071 /nfs/dbraw/zinc/10/20/71/346102071.db2.gz OULJXZAPLSOSJD-UHFFFAOYSA-N 0 0 187.670 2.044 10 0 AEAERN 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CC[C@H]1C[C@@H]1C(=O)N1CCCCCC1 307597503 346137295 /nfs/dbraw/zinc/13/72/95/346137295.db2.gz NZBZWFCFHOMVHM-QWRGUYRKSA-N 0 0 195.306 2.435 10 0 AEAERN CC[C@H]1C[C@H]1C(=O)N1CCCCCC1 307597504 346137534 /nfs/dbraw/zinc/13/75/34/346137534.db2.gz NZBZWFCFHOMVHM-WDEREUQCSA-N 0 0 195.306 2.435 10 0 AEAERN C[C@@H]1CC(c2ccc[nH]2)=C[C@H](O)C1 307598700 346137951 /nfs/dbraw/zinc/13/79/51/346137951.db2.gz PTPPOAAAVKKXHM-PSASIEDQSA-N 0 0 177.247 2.189 10 0 AEAERN Cc1cn(CCC(C)C)ccc1=O 307598690 346137958 /nfs/dbraw/zinc/13/79/58/346137958.db2.gz PRTPVXMOUGBIMK-UHFFFAOYSA-N 0 0 179.263 2.203 10 0 AEAERN C[C@H]1CC(c2ccc[nH]2)=C[C@@H](O)C1 307598703 346137968 /nfs/dbraw/zinc/13/79/68/346137968.db2.gz PTPPOAAAVKKXHM-WPRPVWTQSA-N 0 0 177.247 2.189 10 0 AEAERN C[C@@H]1CC(c2ccc[nH]2)=C[C@@H](O)C1 307598701 346138059 /nfs/dbraw/zinc/13/80/59/346138059.db2.gz PTPPOAAAVKKXHM-SCZZXKLOSA-N 0 0 177.247 2.189 10 0 AEAERN C[C@H]1CC(c2ccc[nH]2)=C[C@H](O)C1 307598702 346138150 /nfs/dbraw/zinc/13/81/50/346138150.db2.gz PTPPOAAAVKKXHM-WCBMZHEXSA-N 0 0 177.247 2.189 10 0 AEAERN Nc1cc(F)cc(OC(F)F)c1F 307599363 346138517 /nfs/dbraw/zinc/13/85/17/346138517.db2.gz QAYVUEZJIGVMMD-UHFFFAOYSA-N 0 0 195.115 2.148 10 0 AEAERN Cc1cc(-c2csc(=O)[nH]2)cs1 307601641 346140136 /nfs/dbraw/zinc/14/01/36/346140136.db2.gz VECQODBZTBLULH-UHFFFAOYSA-N 0 0 197.284 2.473 10 0 AEAERN CNc1n[nH]c(C2CCCC2)c1C 307602516 346140627 /nfs/dbraw/zinc/14/06/27/346140627.db2.gz WSAWSZAYGUCLBP-UHFFFAOYSA-N 0 0 179.267 2.417 10 0 AEAERN CC1(C)CC[C@H]1Nc1ncccc1N 307603958 346141074 /nfs/dbraw/zinc/14/10/74/346141074.db2.gz UZDKJHQAEXCOFH-SECBINFHSA-N 0 0 191.278 2.264 10 0 AEAERN CNc1nc(CSC)cs1 307604289 346141956 /nfs/dbraw/zinc/14/19/56/346141956.db2.gz VSMXFGFXPFMECV-UHFFFAOYSA-N 0 0 174.294 2.048 10 0 AEAERN C/C=C/CNc1nc(CC)ns1 307605938 346142266 /nfs/dbraw/zinc/14/22/66/346142266.db2.gz ZPAPKFQTQJYRJD-HWKANZROSA-N 0 0 183.280 2.089 10 0 AEAERN Cc1ccc(NCC(C)(F)F)nc1 307605148 346142364 /nfs/dbraw/zinc/14/23/64/346142364.db2.gz XUJASSUMSYXBGW-UHFFFAOYSA-N 0 0 186.205 2.457 10 0 AEAERN Cc1cc(CN2CCC2)cnc1Cl 307604955 346142411 /nfs/dbraw/zinc/14/24/11/346142411.db2.gz XKZGYITUQKZDJQ-UHFFFAOYSA-N 0 0 196.681 2.249 10 0 AEAERN c1ccc2c(c1)NCCC1(CC1)N2 307606745 346142954 /nfs/dbraw/zinc/14/29/54/346142954.db2.gz BQQALSLTHFFLKS-UHFFFAOYSA-N 0 0 174.247 2.447 10 0 AEAERN CC(C)(C1CCC1)C1N=NC(=S)N1 307606955 346143489 /nfs/dbraw/zinc/14/34/89/346143489.db2.gz DVNXCMPZZJLCIR-UHFFFAOYSA-N 0 0 197.307 2.171 10 0 AEAERN CC1(C)C[C@@H]1[C@](C)(O)C1=CCCCO1 307608387 346143857 /nfs/dbraw/zinc/14/38/57/346143857.db2.gz DQXNETJLHWZPSH-CABZTGNLSA-N 0 0 196.290 2.478 10 0 AEAERN CC1(C)C[C@@H]1[C@@](C)(O)C1=CCCCO1 307608388 346143860 /nfs/dbraw/zinc/14/38/60/346143860.db2.gz DQXNETJLHWZPSH-JOYOIKCWSA-N 0 0 196.290 2.478 10 0 AEAERN Cc1cc([C@H](N)C(C)(F)F)sn1 307608092 346143868 /nfs/dbraw/zinc/14/38/68/346143868.db2.gz CMZACKXPHKALBS-LURJTMIESA-N 0 0 192.234 2.107 10 0 AEAERN Cc1cc([C@@H](N)C(C)(F)F)sn1 307608093 346143953 /nfs/dbraw/zinc/14/39/53/346143953.db2.gz CMZACKXPHKALBS-ZCFIWIBFSA-N 0 0 192.234 2.107 10 0 AEAERN CC1(C)C[C@H]1[C@@](C)(O)C1=CCCCO1 307608386 346143996 /nfs/dbraw/zinc/14/39/96/346143996.db2.gz DQXNETJLHWZPSH-BXKDBHETSA-N 0 0 196.290 2.478 10 0 AEAERN CC1(C)C[C@H]1[C@](C)(O)C1=CCCCO1 307608389 346144032 /nfs/dbraw/zinc/14/40/32/346144032.db2.gz DQXNETJLHWZPSH-SKDRFNHKSA-N 0 0 196.290 2.478 10 0 AEAERN CC1(C[C@@H](O)[C@@H]2CCCO2)CCC1 307608931 346144392 /nfs/dbraw/zinc/14/43/92/346144392.db2.gz DRBAAGTZUGXVAO-ZJUUUORDSA-N 0 0 184.279 2.107 10 0 AEAERN CC1(C[C@@H](O)[C@H]2CCCO2)CCC1 307608923 346144578 /nfs/dbraw/zinc/14/45/78/346144578.db2.gz DRBAAGTZUGXVAO-NXEZZACHSA-N 0 0 184.279 2.107 10 0 AEAERN CC1(C[C@H](O)[C@H]2CCCO2)CCC1 307608929 346144530 /nfs/dbraw/zinc/14/45/30/346144530.db2.gz DRBAAGTZUGXVAO-VHSXEESVSA-N 0 0 184.279 2.107 10 0 AEAERN CCCc1cc(N)cc(F)c1 307609187 346144556 /nfs/dbraw/zinc/14/45/56/346144556.db2.gz DPPBJBKDRXBZNK-UHFFFAOYSA-N 0 0 153.200 2.360 10 0 AEAERN CC1(C[C@H](O)[C@@H]2CCCO2)CCC1 307608926 346144620 /nfs/dbraw/zinc/14/46/20/346144620.db2.gz DRBAAGTZUGXVAO-UWVGGRQHSA-N 0 0 184.279 2.107 10 0 AEAERN CC1CCN(C2=NC(=O)CS2)CC1 307609359 346144633 /nfs/dbraw/zinc/14/46/33/346144633.db2.gz FWSOEWOTZAIGBP-UHFFFAOYSA-N 0 0 198.291 2.085 10 0 AEAERN CC1(C)CC[C@]1(O)c1ccco1 307610678 346145527 /nfs/dbraw/zinc/14/55/27/346145527.db2.gz FULOJBCCSAXFOQ-JTQLQIEISA-N 0 0 166.220 2.287 10 0 AEAERN CSC1(c2ncsc2N)CC1 307610520 346145618 /nfs/dbraw/zinc/14/56/18/346145618.db2.gz ITQQFXYHVFLULM-UHFFFAOYSA-N 0 0 186.305 2.077 10 0 AEAERN Clc1ccc(-c2ccns2)nn1 307610266 346145689 /nfs/dbraw/zinc/14/56/89/346145689.db2.gz HEXRKOGKMXNALG-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN CC1(C)CC[C@@]1(O)c1ccco1 307610679 346145762 /nfs/dbraw/zinc/14/57/62/346145762.db2.gz FULOJBCCSAXFOQ-SNVBAGLBSA-N 0 0 166.220 2.287 10 0 AEAERN O=C1CSC[C@@H]1CC1=CCCC1 307612272 346146613 /nfs/dbraw/zinc/14/66/13/346146613.db2.gz KPOWKJGBYZRXTC-VIFPVBQESA-N 0 0 182.288 2.419 10 0 AEAERN CC(C)(C)C(C)(C)c1cc(N)n[nH]1 307612363 346146620 /nfs/dbraw/zinc/14/66/20/346146620.db2.gz KSZCWVOHXZORMX-UHFFFAOYSA-N 0 0 181.283 2.316 10 0 AEAERN O=C1CSC[C@H]1CC1=CCCC1 307612269 346146642 /nfs/dbraw/zinc/14/66/42/346146642.db2.gz KPOWKJGBYZRXTC-SECBINFHSA-N 0 0 182.288 2.419 10 0 AEAERN Cc1nc([C@H]2CCCC2=O)cs1 307613103 346146865 /nfs/dbraw/zinc/14/68/65/346146865.db2.gz LDUCCTCKTIVZAS-SSDOTTSWSA-N 0 0 181.260 2.288 10 0 AEAERN C/C=C/C(=O)N[C@@H]1CC12CCCC2 307612690 346146892 /nfs/dbraw/zinc/14/68/92/346146892.db2.gz IUQSEESRFBWGKF-OSOUNJMWSA-N 0 0 179.263 2.011 10 0 AEAERN Cc1c[nH]c(=S)n1[C@H]1C[C@@H]2C[C@@H]2C1 307612713 346146948 /nfs/dbraw/zinc/14/69/48/346146948.db2.gz LAXCKIPSTMLURX-AYMMMOKOSA-N 0 0 194.303 2.451 10 0 AEAERN Cc1nc([C@@H]2CCCC2=O)cs1 307613104 346147063 /nfs/dbraw/zinc/14/70/63/346147063.db2.gz LDUCCTCKTIVZAS-ZETCQYMHSA-N 0 0 181.260 2.288 10 0 AEAERN C/C=C/C(=O)N[C@H]1CC12CCCC2 307612689 346147186 /nfs/dbraw/zinc/14/71/86/346147186.db2.gz IUQSEESRFBWGKF-MAHOQKISSA-N 0 0 179.263 2.011 10 0 AEAERN CCC1(Nc2cc(Cl)ncn2)CC1 307614009 346147606 /nfs/dbraw/zinc/14/76/06/346147606.db2.gz MLZQAUQTVRGFNV-UHFFFAOYSA-N 0 0 197.669 2.485 10 0 AEAERN C/C=C/CNc1ccc(F)cc1N 307614020 346147631 /nfs/dbraw/zinc/14/76/31/346147631.db2.gz MNIOCLJRGIJPKT-NSCUHMNNSA-N 0 0 180.226 2.396 10 0 AEAERN Cn1ccc(C(=O)CC2(C)CCC2)n1 307613660 346147663 /nfs/dbraw/zinc/14/76/63/346147663.db2.gz KBAUGGGLVAWYBJ-UHFFFAOYSA-N 0 0 192.262 2.183 10 0 AEAERN C[C@]1(C(=O)c2cscn2)C[C@H]1F 307614107 346147820 /nfs/dbraw/zinc/14/78/20/346147820.db2.gz NQOFPIWCQNHGAL-SVRRBLITSA-N 0 0 185.223 2.074 10 0 AEAERN C[C@@H]1C[C@@H]1NC(=O)[C@H](C)C(C)(C)C 307614246 346147834 /nfs/dbraw/zinc/14/78/34/346147834.db2.gz MXMNWQKPCCHZGE-VGMNWLOBSA-N 0 0 183.295 2.193 10 0 AEAERN C[C@@]1(C(=O)c2cscn2)C[C@H]1F 307614105 346147884 /nfs/dbraw/zinc/14/78/84/346147884.db2.gz NQOFPIWCQNHGAL-HTRCEHHLSA-N 0 0 185.223 2.074 10 0 AEAERN C[C@H](C(=O)N[C@H]1C[C@H]1C)C(C)(C)C 307614244 346148045 /nfs/dbraw/zinc/14/80/45/346148045.db2.gz MXMNWQKPCCHZGE-HLTSFMKQSA-N 0 0 183.295 2.193 10 0 AEAERN O=c1cnc(C2=CCCCC2)c[nH]1 307614477 346148066 /nfs/dbraw/zinc/14/80/66/346148066.db2.gz OSTIHDRKPPHNKF-UHFFFAOYSA-N 0 0 176.219 2.140 10 0 AEAERN C[C@]1(C(=O)c2cscn2)C[C@@H]1F 307614108 346148136 /nfs/dbraw/zinc/14/81/36/346148136.db2.gz NQOFPIWCQNHGAL-XPUUQOCRSA-N 0 0 185.223 2.074 10 0 AEAERN C[C@@]1(C(=O)c2cscn2)C[C@@H]1F 307614106 346148188 /nfs/dbraw/zinc/14/81/88/346148188.db2.gz NQOFPIWCQNHGAL-POYBYMJQSA-N 0 0 185.223 2.074 10 0 AEAERN CCNc1csc(Cl)n1 307614738 346148541 /nfs/dbraw/zinc/14/85/41/346148541.db2.gz LQLRRKSGSZKCEK-UHFFFAOYSA-N 0 0 162.645 2.228 10 0 AEAERN O=C(c1ccsn1)[C@@H]1CCSC1 307614726 346148684 /nfs/dbraw/zinc/14/86/84/346148684.db2.gz LOKMWAVZEZZYEA-ZCFIWIBFSA-N 0 0 199.300 2.079 10 0 AEAERN O=C(c1ccsn1)[C@H]1CCSC1 307614725 346148698 /nfs/dbraw/zinc/14/86/98/346148698.db2.gz LOKMWAVZEZZYEA-LURJTMIESA-N 0 0 199.300 2.079 10 0 AEAERN Cc1cc(-c2ccns2)cnc1N 307615585 346149187 /nfs/dbraw/zinc/14/91/87/346149187.db2.gz QIPDUSVRHVVRNC-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN C[C@H]1C[C@@H]1Nc1noc(C(C)(C)C)n1 307615459 346149190 /nfs/dbraw/zinc/14/91/90/346149190.db2.gz MQZSBUSIVQSDTI-BQBZGAKWSA-N 0 0 195.266 2.187 10 0 AEAERN CC(C)N1C(=S)N=NC1C1(C)CC1 307615817 346149243 /nfs/dbraw/zinc/14/92/43/346149243.db2.gz RGTRERJVEBLNKU-UHFFFAOYSA-N 0 0 197.307 2.199 10 0 AEAERN CC1N=NC(=S)N1C1(C(C)C)CC1 307615666 346149322 /nfs/dbraw/zinc/14/93/22/346149322.db2.gz OVGOFBMGPBCKJK-UHFFFAOYSA-N 0 0 197.307 2.020 10 0 AEAERN Cc1cnccc1C1=NC(=O)CS1 307616117 346149371 /nfs/dbraw/zinc/14/93/71/346149371.db2.gz RRKLTNNRHPCNLH-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN Cc1ncn(COC(C)(C)C)c1C 307616297 346149803 /nfs/dbraw/zinc/14/98/03/346149803.db2.gz PXVDXRHTNDGOHV-UHFFFAOYSA-N 0 0 182.267 2.273 10 0 AEAERN CC(=O)CCc1cocc1C 307618279 346151044 /nfs/dbraw/zinc/15/10/44/346151044.db2.gz SWNQYACHFASXGG-UHFFFAOYSA-N 0 0 152.193 2.110 10 0 AEAERN CCCC(=O)C(C)(C)F 307621121 346152243 /nfs/dbraw/zinc/15/22/43/346152243.db2.gz JQUIDNLMMBKMHT-UHFFFAOYSA-N 0 0 132.178 2.104 10 0 AEAERN Fc1cccc(NC2CSC2)c1 307620803 346152503 /nfs/dbraw/zinc/15/25/03/346152503.db2.gz OHORNMGYHNRUSS-UHFFFAOYSA-N 0 0 183.251 2.353 10 0 AEAERN CCc1ccc(CC)c(NN)c1 307622637 346152848 /nfs/dbraw/zinc/15/28/48/346152848.db2.gz LGAFDAHNIVMXFH-UHFFFAOYSA-N 0 0 164.252 2.097 10 0 AEAERN C[C@@H]1CCC[C@H]([C@@H](O)C2=COCC2)C1 307622695 346153522 /nfs/dbraw/zinc/15/35/22/346153522.db2.gz LJWZMKJTVJELHI-JFGNBEQYSA-N 0 0 196.290 2.478 10 0 AEAERN Clc1ccn(Cc2cscn2)n1 307622821 346153502 /nfs/dbraw/zinc/15/35/02/346153502.db2.gz HGPWVPUGJCDIBZ-UHFFFAOYSA-N 0 0 199.666 2.041 10 0 AEAERN C[C@@H]1CCC[C@@H]([C@@H](O)C2=COCC2)C1 307622681 346153569 /nfs/dbraw/zinc/15/35/69/346153569.db2.gz LJWZMKJTVJELHI-CKYFFXLPSA-N 0 0 196.290 2.478 10 0 AEAERN CC1(CC(=O)C(F)F)CCC1 307622638 346153624 /nfs/dbraw/zinc/15/36/24/346153624.db2.gz LGAWWQSXVUGLNC-UHFFFAOYSA-N 0 0 162.179 2.401 10 0 AEAERN C[C@@H]1CCC[C@H]([C@H](O)C2=COCC2)C1 307622706 346153652 /nfs/dbraw/zinc/15/36/52/346153652.db2.gz LJWZMKJTVJELHI-SCVCMEIPSA-N 0 0 196.290 2.478 10 0 AEAERN C[C@@H]1CCC[C@@H]([C@H](O)C2=COCC2)C1 307622684 346153732 /nfs/dbraw/zinc/15/37/32/346153732.db2.gz LJWZMKJTVJELHI-FOGDFJRCSA-N 0 0 196.290 2.478 10 0 AEAERN CC1([C@@](C)(O)c2ccc[nH]2)CC1 307624130 346154070 /nfs/dbraw/zinc/15/40/70/346154070.db2.gz FLIDRITVAICTID-JTQLQIEISA-N 0 0 165.236 2.022 10 0 AEAERN Cc1csc2ccc(N)nc12 307624343 346154214 /nfs/dbraw/zinc/15/42/14/346154214.db2.gz IUPGBZIBSQCSNI-UHFFFAOYSA-N 0 0 164.233 2.187 10 0 AEAERN CC1([C@](C)(O)c2ccc[nH]2)CC1 307624131 346154378 /nfs/dbraw/zinc/15/43/78/346154378.db2.gz FLIDRITVAICTID-SNVBAGLBSA-N 0 0 165.236 2.022 10 0 AEAERN Cc1nc(NCc2cccs2)no1 307623880 346154384 /nfs/dbraw/zinc/15/43/84/346154384.db2.gz IFWZTJWKTDRQQH-UHFFFAOYSA-N 0 0 195.247 2.052 10 0 AEAERN CC1(CNc2cn[nH]c2)CCCC1 307625106 346154719 /nfs/dbraw/zinc/15/47/19/346154719.db2.gz GHVDVWGCOMIWCT-UHFFFAOYSA-N 0 0 179.267 2.402 10 0 AEAERN C[C@@H]1CCC[C@H]1c1nsc(N)n1 307627344 346155739 /nfs/dbraw/zinc/15/57/39/346155739.db2.gz LGZLEIQXHFMSIR-PHDIDXHHSA-N 0 0 183.280 2.024 10 0 AEAERN C[C@H]1CCC[C@@H]1c1nsc(N)n1 307627346 346155765 /nfs/dbraw/zinc/15/57/65/346155765.db2.gz LGZLEIQXHFMSIR-WDSKDSINSA-N 0 0 183.280 2.024 10 0 AEAERN C[C@@H]1CCC[C@@H]1c1nsc(N)n1 307627345 346155951 /nfs/dbraw/zinc/15/59/51/346155951.db2.gz LGZLEIQXHFMSIR-RITPCOANSA-N 0 0 183.280 2.024 10 0 AEAERN CCc1nc(C(C)=O)c(C)s1 307626832 346156028 /nfs/dbraw/zinc/15/60/28/346156028.db2.gz IHCVBGZQHNBSJO-UHFFFAOYSA-N 0 0 169.249 2.217 10 0 AEAERN C[C@H]1CCC[C@H]1c1nsc(N)n1 307627343 346156042 /nfs/dbraw/zinc/15/60/42/346156042.db2.gz LGZLEIQXHFMSIR-NTSWFWBYSA-N 0 0 183.280 2.024 10 0 AEAERN Cc1cccc(N[C@@H](C)CO)c1Cl 307627973 346156373 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CON=C1COc2c(Cl)cccc21 393910309 346583797 /nfs/dbraw/zinc/58/37/97/346583797.db2.gz BLSBECBJZLKXBD-UHFFFAOYSA-N 0 0 197.621 2.083 10 0 AEAERN CCCC[C@H](CC)C(=O)N(C)C#N 394273714 346583874 /nfs/dbraw/zinc/58/38/74/346583874.db2.gz YJGJCRUMIRLVFO-VIFPVBQESA-N 0 0 182.267 2.142 10 0 AEAERN CCCC[C@@H](CC)C(=O)N(C)C#N 394273713 346584360 /nfs/dbraw/zinc/58/43/60/346584360.db2.gz YJGJCRUMIRLVFO-SECBINFHSA-N 0 0 182.267 2.142 10 0 AEAERN CC(=O)/C(C)=C\c1c(Cl)cnn1C 394628945 346584683 /nfs/dbraw/zinc/58/46/83/346584683.db2.gz YCNHUWABWHRURP-XQRVVYSFSA-N 0 0 198.653 2.066 10 0 AEAERN CCc1cnc(/C=C(\C)[C@H](C)O)s1 394706609 346584854 /nfs/dbraw/zinc/58/48/54/346584854.db2.gz NJIWBQSVGJVJCO-IVGLGHLBSA-N 0 0 197.303 2.490 10 0 AEAERN CCc1cnc(/C=C(\C)[C@@H](C)O)s1 394706610 346584885 /nfs/dbraw/zinc/58/48/85/346584885.db2.gz NJIWBQSVGJVJCO-WVXIBAHESA-N 0 0 197.303 2.490 10 0 AEAERN CC(O)=C(C)C(=O)CC(C)C 394938205 346585254 /nfs/dbraw/zinc/58/52/54/346585254.db2.gz NJGQBAJUVFNFTN-VQHVLOKHSA-N 0 0 156.225 2.454 10 0 AEAERN CCc1cnc(/C=C(\C)CO)s1 394859142 346585541 /nfs/dbraw/zinc/58/55/41/346585541.db2.gz ZXMCFFQKIXCFHR-QPJJXVBHSA-N 0 0 183.276 2.101 10 0 AEAERN C/C=C\CNc1cccc(C)n1 395062114 346586192 /nfs/dbraw/zinc/58/61/92/346586192.db2.gz PKNHPHYRDCTSCJ-ARJAWSKDSA-N 0 0 162.236 2.378 10 0 AEAERN C/C=C\CNc1ccc(N)c(OC)c1 395068777 346586322 /nfs/dbraw/zinc/58/63/22/346586322.db2.gz QTVAGTDEHBWILP-ARJAWSKDSA-N 0 0 192.262 2.265 10 0 AEAERN Cc1cc(Cl)cc(C=NO)c1 395104921 346586329 /nfs/dbraw/zinc/58/63/29/346586329.db2.gz BVURXLGEKVJOIY-UHFFFAOYSA-N 0 0 169.611 2.457 10 0 AEAERN CC(C=O)=C(O)C(C)(C)C 395431339 346586869 /nfs/dbraw/zinc/58/68/69/346586869.db2.gz FAKORHUAFMVMMJ-WAYWQWQTSA-N 0 0 142.198 2.063 10 0 AEAERN CCC(C=O)=C(O)C(C)(C)C 395277231 346587081 /nfs/dbraw/zinc/58/70/81/346587081.db2.gz DUNVRUFCDOAJGB-SREVYHEPSA-N 0 0 156.225 2.454 10 0 AEAERN CC(C=O)=C(O)C1CCCC1 395695854 346587289 /nfs/dbraw/zinc/58/72/89/346587289.db2.gz BJERIEFVZQRSCH-SREVYHEPSA-N 0 0 154.209 2.208 10 0 AEAERN C/C=C/CNC(=O)NC(C)(C)CC 396005251 346587596 /nfs/dbraw/zinc/58/75/96/346587596.db2.gz GSQQLTPNSCMJSL-FNORWQNLSA-N 0 0 184.283 2.050 10 0 AEAERN CCC(C)(C)NC(=O)N[C@H](C)C1CC1 396048776 346587816 /nfs/dbraw/zinc/58/78/16/346587816.db2.gz LCRITTGALRUSHO-MRVPVSSYSA-N 0 0 198.310 2.273 10 0 AEAERN OCCCSCCC1CCC1 398425934 346596457 /nfs/dbraw/zinc/59/64/57/346596457.db2.gz DZGSULSELAQASR-UHFFFAOYSA-N 0 0 174.309 2.292 10 0 AEAERN N#Cc1cnccc1N1C2CCC1CC2 398907371 346597051 /nfs/dbraw/zinc/59/70/51/346597051.db2.gz GMXCVQNVIMOCBK-UHFFFAOYSA-N 0 0 199.257 2.084 10 0 AEAERN CC(=O)N(C)C[C@H](C)C(C)(C)C 399537070 346598825 /nfs/dbraw/zinc/59/88/25/346598825.db2.gz WZOVBMVEDOAAIV-QMMMGPOBSA-N 0 0 171.284 2.147 10 0 AEAERN CC(=O)N(C)C[C@@H](C)C(C)(C)C 399537069 346598859 /nfs/dbraw/zinc/59/88/59/346598859.db2.gz WZOVBMVEDOAAIV-MRVPVSSYSA-N 0 0 171.284 2.147 10 0 AEAERN Cc1cc(N2CC=CCC2)c(C#N)cn1 399485902 346598917 /nfs/dbraw/zinc/59/89/17/346598917.db2.gz GJPUKHPBVHEVQV-UHFFFAOYSA-N 0 0 199.257 2.028 10 0 AEAERN CC1=CCN(c2ccncc2C#N)CC1 399752644 346599312 /nfs/dbraw/zinc/59/93/12/346599312.db2.gz UZLXAVSAKYTDMO-UHFFFAOYSA-N 0 0 199.257 2.110 10 0 AEAERN CCCCN(C)c1ccncc1C#N 399741760 346599718 /nfs/dbraw/zinc/59/97/18/346599718.db2.gz QASSJRJBSKBMSD-UHFFFAOYSA-N 0 0 189.262 2.190 10 0 AEAERN CC1=CCCN(c2ccncc2C#N)C1 399707696 346599787 /nfs/dbraw/zinc/59/97/87/346599787.db2.gz FCAUIANCIYSSRU-UHFFFAOYSA-N 0 0 199.257 2.110 10 0 AEAERN CCCNc1cccnc1F 401405458 346606225 /nfs/dbraw/zinc/60/62/25/346606225.db2.gz HFHWJUNVLDXIQW-UHFFFAOYSA-N 0 0 154.188 2.043 10 0 AEAERN CC1CC(Nc2cccnc2F)C1 401393865 346606244 /nfs/dbraw/zinc/60/62/44/346606244.db2.gz CTBDQWGQGUCMJS-UHFFFAOYSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@@H](Nc1cccnc1F)C1CC1 401408660 346606674 /nfs/dbraw/zinc/60/66/74/346606674.db2.gz IDPSDDKUQKAOBS-SSDOTTSWSA-N 0 0 180.226 2.431 10 0 AEAERN CC(C)Nc1cccnc1F 401412278 346606898 /nfs/dbraw/zinc/60/68/98/346606898.db2.gz JJEZFBMCMJTDDW-UHFFFAOYSA-N 0 0 154.188 2.041 10 0 AEAERN C[C@H](Nc1cccnc1F)C1CC1 401408662 346606999 /nfs/dbraw/zinc/60/69/99/346606999.db2.gz IDPSDDKUQKAOBS-ZETCQYMHSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@H](Nc1cccnc1F)C(F)F 401431981 346607257 /nfs/dbraw/zinc/60/72/57/346607257.db2.gz PENRDNXSOPSTPC-YFKPBYRVSA-N 0 0 190.168 2.286 10 0 AEAERN C[C@@H](Nc1cccnc1F)C(F)F 401431979 346607431 /nfs/dbraw/zinc/60/74/31/346607431.db2.gz PENRDNXSOPSTPC-RXMQYKEDSA-N 0 0 190.168 2.286 10 0 AEAERN Fc1ncccc1NCC1CCC1 401434182 346607544 /nfs/dbraw/zinc/60/75/44/346607544.db2.gz QADHGQZRMCJPFX-UHFFFAOYSA-N 0 0 180.226 2.433 10 0 AEAERN C[C@H]1CC[C@@H]1Nc1cccnc1F 401443957 346607815 /nfs/dbraw/zinc/60/78/15/346607815.db2.gz UEWBJLCNEHAMLG-YUMQZZPRSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@@H]1CC[C@H]1Nc1cccnc1F 401443951 346607846 /nfs/dbraw/zinc/60/78/46/346607846.db2.gz UEWBJLCNEHAMLG-HTQZYQBOSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@H]1CC[C@H]1Nc1cccnc1F 401443953 346607896 /nfs/dbraw/zinc/60/78/96/346607896.db2.gz UEWBJLCNEHAMLG-JGVFFNPUSA-N 0 0 180.226 2.431 10 0 AEAERN Fc1ncccc1NC1CCC1 401447427 346607969 /nfs/dbraw/zinc/60/79/69/346607969.db2.gz VHEJMNMGZSSDPT-UHFFFAOYSA-N 0 0 166.199 2.185 10 0 AEAERN CC(C)CNc1cccnc1F 401446985 346608038 /nfs/dbraw/zinc/60/80/38/346608038.db2.gz VEDIHZKYIQKGIE-UHFFFAOYSA-N 0 0 168.215 2.289 10 0 AEAERN C[C@@H]1CC[C@@H]1Nc1cccnc1F 401443955 346608040 /nfs/dbraw/zinc/60/80/40/346608040.db2.gz UEWBJLCNEHAMLG-SFYZADRCSA-N 0 0 180.226 2.431 10 0 AEAERN Fc1ncccc1N[C@H]1CCSC1 401450101 346608396 /nfs/dbraw/zinc/60/83/96/346608396.db2.gz WOIGZHUITKOGPT-ZETCQYMHSA-N 0 0 198.266 2.138 10 0 AEAERN Fc1ncccc1N[C@@H]1CCSC1 401450100 346608406 /nfs/dbraw/zinc/60/84/06/346608406.db2.gz WOIGZHUITKOGPT-SSDOTTSWSA-N 0 0 198.266 2.138 10 0 AEAERN CC[C@H](C)Nc1cccnc1F 401453749 346608435 /nfs/dbraw/zinc/60/84/35/346608435.db2.gz YAFFASFXZGUOOD-ZETCQYMHSA-N 0 0 168.215 2.431 10 0 AEAERN CC[C@@H](C)Nc1cccnc1F 401453748 346608510 /nfs/dbraw/zinc/60/85/10/346608510.db2.gz YAFFASFXZGUOOD-SSDOTTSWSA-N 0 0 168.215 2.431 10 0 AEAERN Fc1ncccc1NCC1CC1 401451708 346608552 /nfs/dbraw/zinc/60/85/52/346608552.db2.gz XGYRNXIHEBVCRS-UHFFFAOYSA-N 0 0 166.199 2.043 10 0 AEAERN CCCC(=O)C1CCSCC1 401577151 346612250 /nfs/dbraw/zinc/61/22/50/346612250.db2.gz IMKZHDCHBIPPSR-UHFFFAOYSA-N 0 0 172.293 2.499 10 0 AEAERN CC1(C(=O)C2CCSCC2)CC1 401566266 346612644 /nfs/dbraw/zinc/61/26/44/346612644.db2.gz BIWPIIRWOVPYPS-UHFFFAOYSA-N 0 0 184.304 2.499 10 0 AEAERN C[C@H]1C[C@H]1C(=O)C1CCSCC1 401592737 346612950 /nfs/dbraw/zinc/61/29/50/346612950.db2.gz SLLMXDDEXDHPDB-IONNQARKSA-N 0 0 184.304 2.355 10 0 AEAERN C[C@@H]1C[C@@H]1C(=O)C1CCSCC1 401592735 346612985 /nfs/dbraw/zinc/61/29/85/346612985.db2.gz SLLMXDDEXDHPDB-APPZFPTMSA-N 0 0 184.304 2.355 10 0 AEAERN CC(F)(F)C(=O)C1CCSCC1 401584441 346613058 /nfs/dbraw/zinc/61/30/58/346613058.db2.gz MDEKYHOWPWESST-UHFFFAOYSA-N 0 0 194.246 2.354 10 0 AEAERN C[C@@H]1C[C@H]1C(=O)C1CCSCC1 401592738 346613097 /nfs/dbraw/zinc/61/30/97/346613097.db2.gz SLLMXDDEXDHPDB-VXNVDRBHSA-N 0 0 184.304 2.355 10 0 AEAERN C[C@H]1C[C@@H]1C(=O)C1CCSCC1 401592736 346613173 /nfs/dbraw/zinc/61/31/73/346613173.db2.gz SLLMXDDEXDHPDB-CBAPKCEASA-N 0 0 184.304 2.355 10 0 AEAERN O=C(C1CCSCC1)C(F)(F)F 401598958 346613200 /nfs/dbraw/zinc/61/32/00/346613200.db2.gz YEJVYBYFHZKANL-UHFFFAOYSA-N 0 0 198.209 2.261 10 0 AEAERN Cc1nn(C)cc1NC[Si](C)(C)C 401728326 346616502 /nfs/dbraw/zinc/61/65/02/346616502.db2.gz OERMRFNAKLEUPK-UHFFFAOYSA-N 0 0 197.358 2.018 10 0 AEAERN CNc1cccc(-c2cn[nH]c2)c1 401859887 346620302 /nfs/dbraw/zinc/62/03/02/346620302.db2.gz QIZOCDZXZVOZQW-UHFFFAOYSA-N 0 0 173.219 2.118 10 0 AEAERN C[C@H]1C[C@H](Nc2ccsc2)CO1 401867206 346621170 /nfs/dbraw/zinc/62/11/70/346621170.db2.gz VTCHQILKJYHWQX-CBAPKCEASA-N 0 0 183.276 2.337 10 0 AEAERN C[C@@H]1C[C@@H](Nc2ccsc2)CO1 401867209 346621193 /nfs/dbraw/zinc/62/11/93/346621193.db2.gz VTCHQILKJYHWQX-VXNVDRBHSA-N 0 0 183.276 2.337 10 0 AEAERN C[C@H]1C[C@@H](Nc2ccsc2)CO1 401867207 346621199 /nfs/dbraw/zinc/62/11/99/346621199.db2.gz VTCHQILKJYHWQX-IONNQARKSA-N 0 0 183.276 2.337 10 0 AEAERN C[C@@H]1C[C@H](Nc2ccsc2)CO1 401867205 346621224 /nfs/dbraw/zinc/62/12/24/346621224.db2.gz VTCHQILKJYHWQX-APPZFPTMSA-N 0 0 183.276 2.337 10 0 AEAERN C[C@H]1CC[C@@H](Nc2nccs2)CO1 401909256 346623724 /nfs/dbraw/zinc/62/37/24/346623724.db2.gz JLFOJYUCPPWQAO-JGVFFNPUSA-N 0 0 198.291 2.123 10 0 AEAERN C[C@@H]1CC[C@H](Nc2nccs2)CO1 401909257 346623839 /nfs/dbraw/zinc/62/38/39/346623839.db2.gz JLFOJYUCPPWQAO-SFYZADRCSA-N 0 0 198.291 2.123 10 0 AEAERN C[C@@H]1CC[C@@H](Nc2nccs2)CO1 401909255 346623849 /nfs/dbraw/zinc/62/38/49/346623849.db2.gz JLFOJYUCPPWQAO-HTQZYQBOSA-N 0 0 198.291 2.123 10 0 AEAERN C[C@H]1CC[C@H](Nc2nccs2)CO1 401909258 346623893 /nfs/dbraw/zinc/62/38/93/346623893.db2.gz JLFOJYUCPPWQAO-YUMQZZPRSA-N 0 0 198.291 2.123 10 0 AEAERN CC(C)C(=O)[C@H]1CC[C@@H](C)OC1 401924817 346624363 /nfs/dbraw/zinc/62/43/63/346624363.db2.gz LEUQDKLDLYFOHK-BDAKNGLRSA-N 0 0 170.252 2.027 10 0 AEAERN CC(C)C(=O)[C@@H]1CC[C@@H](C)OC1 401925337 346624445 /nfs/dbraw/zinc/62/44/45/346624445.db2.gz LEUQDKLDLYFOHK-RKDXNWHRSA-N 0 0 170.252 2.027 10 0 AEAERN CC(C)C(=O)[C@@H]1CC[C@H](C)OC1 401924819 346624453 /nfs/dbraw/zinc/62/44/53/346624453.db2.gz LEUQDKLDLYFOHK-DTWKUNHWSA-N 0 0 170.252 2.027 10 0 AEAERN Cc1csc(N[C@@H]2CO[C@H](C)C2)n1 402071872 346626833 /nfs/dbraw/zinc/62/68/33/346626833.db2.gz ZYTIOGIKDQGAGG-SFYZADRCSA-N 0 0 198.291 2.041 10 0 AEAERN Cc1csc(N[C@H]2CO[C@@H](C)C2)n1 402071871 346626906 /nfs/dbraw/zinc/62/69/06/346626906.db2.gz ZYTIOGIKDQGAGG-JGVFFNPUSA-N 0 0 198.291 2.041 10 0 AEAERN Cc1csc(N[C@H]2CO[C@H](C)C2)n1 402071869 346627009 /nfs/dbraw/zinc/62/70/09/346627009.db2.gz ZYTIOGIKDQGAGG-HTQZYQBOSA-N 0 0 198.291 2.041 10 0 AEAERN Cc1csc(N[C@@H]2CO[C@@H](C)C2)n1 402071874 346627036 /nfs/dbraw/zinc/62/70/36/346627036.db2.gz ZYTIOGIKDQGAGG-YUMQZZPRSA-N 0 0 198.291 2.041 10 0 AEAERN Nc1ccccc1C1=NC(=O)CS1 402234325 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199.294 2.113 10 0 AEAERN C=C(F)c1ccco1 409427512 346685800 /nfs/dbraw/zinc/68/58/00/346685800.db2.gz JGFFVISZMSXFHB-UHFFFAOYSA-N 0 0 112.103 2.220 10 0 AEAERN [NH3+]Cc1csc(C2CCOCC2)c1 409427300 346685827 /nfs/dbraw/zinc/68/58/27/346685827.db2.gz VSPDDQXTHUYLII-UHFFFAOYSA-N 0 0 197.303 2.101 10 0 AEAERN OCc1csc(C2CC2)c1 409427065 346685883 /nfs/dbraw/zinc/68/58/83/346685883.db2.gz UFODNKMUTBRKBJ-UHFFFAOYSA-N 0 0 154.234 2.118 10 0 AEAERN Cc1ccccc1OCC1CC(=O)C1 409427620 346686291 /nfs/dbraw/zinc/68/62/91/346686291.db2.gz WNTXJOOPFWBCQK-UHFFFAOYSA-N 0 0 190.242 2.353 10 0 AEAERN O=C1CC(COc2cccc(F)c2)C1 409428012 346686442 /nfs/dbraw/zinc/68/64/42/346686442.db2.gz XUOUXTICVHGYKF-UHFFFAOYSA-N 0 0 194.205 2.184 10 0 AEAERN O=c1cc(CC2CCCCC2)nc[nH]1 409427623 346686608 /nfs/dbraw/zinc/68/66/08/346686608.db2.gz AZQIGZSLSGFALG-UHFFFAOYSA-N 0 0 192.262 2.305 10 0 AEAERN CCOC(=O)C[C@H]1CCC12CC2 409429502 346688631 /nfs/dbraw/zinc/68/86/31/346688631.db2.gz CNIYZGBNTNMCHD-MRVPVSSYSA-N 0 0 168.236 2.130 10 0 AEAERN CC=C(C)c1cc(=O)[nH]c(C2CC2)n1 409429064 346688634 /nfs/dbraw/zinc/68/86/34/346688634.db2.gz HRUMMFYIAVPKCI-XVNBXDOJSA-N 0 0 190.246 2.483 10 0 AEAERN CCOC(=O)C[C@@H]1CCC12CC2 409429503 346688767 /nfs/dbraw/zinc/68/87/67/346688767.db2.gz CNIYZGBNTNMCHD-QMMMGPOBSA-N 0 0 168.236 2.130 10 0 AEAERN CSc1nc(C=C(C)C)cc(=O)[nH]1 409429156 346688789 /nfs/dbraw/zinc/68/87/89/346688789.db2.gz INIXTOOXVUWIPF-UHFFFAOYSA-N 0 0 196.275 2.327 10 0 AEAERN CC[C@H](C)c1cc(=O)[nH]c(SC)n1 409430075 346689461 /nfs/dbraw/zinc/68/94/61/346689461.db2.gz KTQGSLITVZTLJI-LURJTMIESA-N 0 0 198.291 2.418 10 0 AEAERN CC[C@@H](C)c1cc(=O)[nH]c(SC)n1 409430078 346689524 /nfs/dbraw/zinc/68/95/24/346689524.db2.gz KTQGSLITVZTLJI-ZCFIWIBFSA-N 0 0 198.291 2.418 10 0 AEAERN Cc1nc(CC(C)(C)C)cc(=O)[nH]1 409430135 346690152 /nfs/dbraw/zinc/69/01/52/346690152.db2.gz LJMNWDJHCFERFP-UHFFFAOYSA-N 0 0 180.251 2.079 10 0 AEAERN C[C@]1(N)[C@H](c2ccccc2)C1(F)F 409430814 346690840 /nfs/dbraw/zinc/69/08/40/346690840.db2.gz HTGKKWFHOKKCSY-IUCAKERBSA-N 0 0 183.201 2.137 10 0 AEAERN C[C@@]1(N)[C@@H](c2ccccc2)C1(F)F 409430815 346691141 /nfs/dbraw/zinc/69/11/41/346691141.db2.gz HTGKKWFHOKKCSY-RKDXNWHRSA-N 0 0 183.201 2.137 10 0 AEAERN C[C@]1(N)[C@@H](c2ccccc2)C1(F)F 409430801 346691164 /nfs/dbraw/zinc/69/11/64/346691164.db2.gz HTGKKWFHOKKCSY-BDAKNGLRSA-N 0 0 183.201 2.137 10 0 AEAERN CCC(CC)c1cc(=O)[nH]cn1 409431480 346691555 /nfs/dbraw/zinc/69/15/55/346691555.db2.gz QTSYYAMNIVNXED-UHFFFAOYSA-N 0 0 166.224 2.086 10 0 AEAERN CC(C)=Cc1cc(=O)[nH]c(C2CC2)n1 409431369 346691833 /nfs/dbraw/zinc/69/18/33/346691833.db2.gz PPTKKKJIECUKAB-UHFFFAOYSA-N 0 0 190.246 2.483 10 0 AEAERN CSc1nc(CC(C)C)cc(=O)[nH]1 409430955 346691849 /nfs/dbraw/zinc/69/18/49/346691849.db2.gz OJGIRQUHHHQLSM-UHFFFAOYSA-N 0 0 198.291 2.103 10 0 AEAERN CCOC(=O)/C=C1\CCC12CC2 409432277 346692988 /nfs/dbraw/zinc/69/29/88/346692988.db2.gz NERLELHLCUNXGC-BQYQJAHWSA-N 0 0 166.220 2.050 10 0 AEAERN Cc1nc(Cl)cc(CC2CC2)n1 409431976 346693177 /nfs/dbraw/zinc/69/31/77/346693177.db2.gz SEOOZHHBDWLKSH-UHFFFAOYSA-N 0 0 182.654 2.391 10 0 AEAERN CCC(CC)c1cc(=O)[nH]c(C)n1 409432594 346694045 /nfs/dbraw/zinc/69/40/45/346694045.db2.gz WJIRJXJJFGMOKC-UHFFFAOYSA-N 0 0 180.251 2.394 10 0 AEAERN CC=C(C)c1cc(=O)[nH]c(SC)n1 409433229 346695987 /nfs/dbraw/zinc/69/59/87/346695987.db2.gz YVIQSIKLKBUTIV-GQCTYLIASA-N 0 0 196.275 2.327 10 0 AEAERN CCOC(OCC)[C@H]1CC1(F)F 409433798 346696360 /nfs/dbraw/zinc/69/63/60/346696360.db2.gz TXAGROKISGUYTR-ZCFIWIBFSA-N 0 0 180.194 2.041 10 0 AEAERN CCOC(OCC)[C@@H]1CC1(F)F 409433797 346696670 /nfs/dbraw/zinc/69/66/70/346696670.db2.gz TXAGROKISGUYTR-LURJTMIESA-N 0 0 180.194 2.041 10 0 AEAERN Cc1cc2n(CC(C)C)ccn2n1 409436777 346700575 /nfs/dbraw/zinc/70/05/75/346700575.db2.gz AKUPLBWUYJNOEZ-UHFFFAOYSA-N 0 0 177.251 2.100 10 0 AEAERN CC(C)Cn1nc(C2CCC2)cc1N 409436929 346700639 /nfs/dbraw/zinc/70/06/39/346700639.db2.gz CMBUODIWAXUYMG-UHFFFAOYSA-N 0 0 193.294 2.389 10 0 AEAERN Cn1ccn2nc(C3CCCC3)cc12 409437656 346701101 /nfs/dbraw/zinc/70/11/01/346701101.db2.gz IDKAEGUOAKPXNU-UHFFFAOYSA-N 0 0 189.262 2.330 10 0 AEAERN CCn1ccn2nc(C3CCC3)cc12 409437333 346701167 /nfs/dbraw/zinc/70/11/67/346701167.db2.gz FMFLOIXYEMHWPF-UHFFFAOYSA-N 0 0 189.262 2.423 10 0 AEAERN c1cn2nc(C3CCCC3)cc2[nH]1 409437582 346701187 /nfs/dbraw/zinc/70/11/87/346701187.db2.gz HIEDVUNXBLKFMO-UHFFFAOYSA-N 0 0 175.235 2.320 10 0 AEAERN CC1CCN(c2ccc(CO)o2)CC1 409437624 346701221 /nfs/dbraw/zinc/70/12/21/346701221.db2.gz AKRKINMNIJAWHN-UHFFFAOYSA-N 0 0 195.262 2.008 10 0 AEAERN Cc1cc2n(CC3CCC3)ccn2n1 409437361 346701228 /nfs/dbraw/zinc/70/12/28/346701228.db2.gz GITSTUVJVVYTEB-UHFFFAOYSA-N 0 0 189.262 2.244 10 0 AEAERN Cc1cc2n(C(C)C)ccn2n1 409437463 346701336 /nfs/dbraw/zinc/70/13/36/346701336.db2.gz GSNYLRPOWBOXKL-UHFFFAOYSA-N 0 0 163.224 2.025 10 0 AEAERN CC(C)c1n[nH]c(C(C)C)c1CO 409438011 346701727 /nfs/dbraw/zinc/70/17/27/346701727.db2.gz BOCFYNYKBLNCCF-UHFFFAOYSA-N 0 0 182.267 2.149 10 0 AEAERN CC1CCC2(CC1)CC[C@@H]2O 409437959 346701903 /nfs/dbraw/zinc/70/19/03/346701903.db2.gz BLNFPKIKMZEFBE-KYHHOPLUSA-N 0 0 154.253 2.338 10 0 AEAERN CC1CCC2(CC1)CC[C@H]2O 409437956 346701932 /nfs/dbraw/zinc/70/19/32/346701932.db2.gz BLNFPKIKMZEFBE-HWOCKDDLSA-N 0 0 154.253 2.338 10 0 AEAERN CCn1nc(-c2ccsc2)cc1N 409437879 346701988 /nfs/dbraw/zinc/70/19/88/346701988.db2.gz JNVBQCRYMHLNPG-UHFFFAOYSA-N 0 0 193.275 2.214 10 0 AEAERN CCn1ccn2nc(C3CC3)cc12 409438552 346702585 /nfs/dbraw/zinc/70/25/85/346702585.db2.gz LUIOWTOPLOWPAM-UHFFFAOYSA-N 0 0 175.235 2.033 10 0 AEAERN CC(C)c1n[nH]c(C2CC2)c1C=O 409438352 346702599 /nfs/dbraw/zinc/70/25/99/346702599.db2.gz CZNNUWFZIUZMGZ-UHFFFAOYSA-N 0 0 178.235 2.223 10 0 AEAERN c1cn2nc(-c3ccsc3)cc2[nH]1 409438861 346702906 /nfs/dbraw/zinc/70/29/06/346702906.db2.gz PIFYNJYMRYMYFW-UHFFFAOYSA-N 0 0 189.243 2.391 10 0 AEAERN OC[C@@H](c1cccs1)n1cccc1 409438999 346702982 /nfs/dbraw/zinc/70/29/82/346702982.db2.gz FMKCRSOBVSJBBQ-VIFPVBQESA-N 0 0 193.271 2.131 10 0 AEAERN Cc1[nH]n2ccnc2c1-c1ccccn1 409439170 346703013 /nfs/dbraw/zinc/70/30/13/346703013.db2.gz QBRNCDFIIKAZNZ-UHFFFAOYSA-N 0 0 198.229 2.033 10 0 AEAERN CC(C)c1n[nH]c(C(C)C)c1CCO 409438828 346703135 /nfs/dbraw/zinc/70/31/35/346703135.db2.gz GCWXVOHUWQELRZ-UHFFFAOYSA-N 0 0 196.294 2.191 10 0 AEAERN CCc1cc2n(CC3CC3)ccn2n1 409438818 346703390 /nfs/dbraw/zinc/70/33/90/346703390.db2.gz MPRSFYHOAHODNS-UHFFFAOYSA-N 0 0 189.262 2.108 10 0 AEAERN CC(C)Cc1[nH]nc(C2CC2)c1C=O 409439602 346703667 /nfs/dbraw/zinc/70/36/67/346703667.db2.gz JEHOLZPZNAJRER-UHFFFAOYSA-N 0 0 192.262 2.298 10 0 AEAERN CC(C)Cc1[nH]nc(C(C)C)c1CO 409439580 346703843 /nfs/dbraw/zinc/70/38/43/346703843.db2.gz JASNUVBGURDSHW-UHFFFAOYSA-N 0 0 196.294 2.224 10 0 AEAERN O=Cc1c(C2CCC2)n[nH]c1C1CC1 409439515 346703920 /nfs/dbraw/zinc/70/39/20/346703920.db2.gz ITGFEXOZPXAJEZ-UHFFFAOYSA-N 0 0 190.246 2.367 10 0 AEAERN CC(C)c1[nH]nc(C2CCC2)c1CO 409439872 346703951 /nfs/dbraw/zinc/70/39/51/346703951.db2.gz JZOVTPUBHWXDSI-UHFFFAOYSA-N 0 0 194.278 2.293 10 0 AEAERN Cc1[nH]nc(-c2ccsc2)c1C=O 409439881 346704007 /nfs/dbraw/zinc/70/40/07/346704007.db2.gz KFMHKTPILCGRAV-UHFFFAOYSA-N 0 0 192.243 2.259 10 0 AEAERN CCn1ccn2nc(C(C)(C)C)cc12 409440162 346704666 /nfs/dbraw/zinc/70/46/66/346704666.db2.gz SFOZUYUCEOTWAY-UHFFFAOYSA-N 0 0 191.278 2.453 10 0 AEAERN Cc1[nH]n2ccnc2c1-c1cccnc1 409440201 346704688 /nfs/dbraw/zinc/70/46/88/346704688.db2.gz WFJFHBRWQXGQQW-UHFFFAOYSA-N 0 0 198.229 2.033 10 0 AEAERN Cn1ccn2ncc(-c3ccccc3)c12 409440144 346704778 /nfs/dbraw/zinc/70/47/78/346704778.db2.gz WAKAPOXBRQBPHB-UHFFFAOYSA-N 0 0 197.241 2.340 10 0 AEAERN c1cncc(-c2n[nH]c3c2CCCC3)c1 409440802 346704942 /nfs/dbraw/zinc/70/49/42/346704942.db2.gz UWUBXQAZENFPJF-UHFFFAOYSA-N 0 0 199.257 2.351 10 0 AEAERN Nc1cc(C2CCC2)nn1CC1CC1 409440583 346704998 /nfs/dbraw/zinc/70/49/98/346704998.db2.gz UNMGMDPGRFTDOV-UHFFFAOYSA-N 0 0 191.278 2.143 10 0 AEAERN Cc1[nH]nc(C2CCCC2)c1C=O 409440699 346705150 /nfs/dbraw/zinc/70/51/50/346705150.db2.gz NYJKLSSHPJZNTR-UHFFFAOYSA-N 0 0 178.235 2.188 10 0 AEAERN CCc1cc2n(CC(C)C)ccn2n1 409440454 346705300 /nfs/dbraw/zinc/70/53/00/346705300.db2.gz TYOYOESSJMHRNR-UHFFFAOYSA-N 0 0 191.278 2.354 10 0 AEAERN CCc1[nH]nc(C2CCCC2)c1CO 409440984 346705788 /nfs/dbraw/zinc/70/57/88/346705788.db2.gz OWWDAZSTAZRVNS-UHFFFAOYSA-N 0 0 194.278 2.122 10 0 AEAERN Nc1cc(C2CC2)nn1C1CCCC1 409440944 346705826 /nfs/dbraw/zinc/70/58/26/346705826.db2.gz WAWVVNBWMWRKRC-UHFFFAOYSA-N 0 0 191.278 2.458 10 0 AEAERN CCc1[nH]nc(-c2ccoc2)c1C=O 409441056 346705897 /nfs/dbraw/zinc/70/58/97/346705897.db2.gz PQNSWBOIMFIJAZ-UHFFFAOYSA-N 0 0 190.202 2.045 10 0 AEAERN c1cc2n(C3CCCC3)ccn2n1 409441406 346706225 /nfs/dbraw/zinc/70/62/25/346706225.db2.gz XPFWKUYAZOTWRV-UHFFFAOYSA-N 0 0 175.235 2.251 10 0 AEAERN CCc1cc2n(C(C)C)ccn2n1 409440953 346706279 /nfs/dbraw/zinc/70/62/79/346706279.db2.gz WBBZEFDIOVHDIK-UHFFFAOYSA-N 0 0 177.251 2.279 10 0 AEAERN CCc1n[nH]c(C2CCCC2)c1C=O 409441761 346706761 /nfs/dbraw/zinc/70/67/61/346706761.db2.gz TYELQFULRAMGHV-UHFFFAOYSA-N 0 0 192.262 2.442 10 0 AEAERN CCc1n[nH]c(-c2ccco2)c1C=O 409441660 346706894 /nfs/dbraw/zinc/70/68/94/346706894.db2.gz SMTGIKHLUSDPOA-UHFFFAOYSA-N 0 0 190.202 2.045 10 0 AEAERN COC(=N)CCc1c[nH]nc1C(C)C 409441735 346706928 /nfs/dbraw/zinc/70/69/28/346706928.db2.gz SXZYLFQPRHWCJT-UHFFFAOYSA-N 0 0 195.266 2.089 10 0 AEAERN CCc1n[nH]c(C2CCC2)c1C=O 409442398 346707714 /nfs/dbraw/zinc/70/77/14/346707714.db2.gz ZJDFVUJEXBKELM-UHFFFAOYSA-N 0 0 178.235 2.052 10 0 AEAERN OCc1c(C2CCC2)n[nH]c1C1CC1 409442060 346707719 /nfs/dbraw/zinc/70/77/19/346707719.db2.gz WHPCEZAYJNVRCB-UHFFFAOYSA-N 0 0 192.262 2.047 10 0 AEAERN CC(C)c1n[nH]c(C(C)C)c1C=O 409442429 346707793 /nfs/dbraw/zinc/70/77/93/346707793.db2.gz ZVUBQQLAFXHMFG-UHFFFAOYSA-N 0 0 180.251 2.469 10 0 AEAERN Clc1ncnc2cc3n(c12)CCC3 498035752 346708858 /nfs/dbraw/zinc/70/88/58/346708858.db2.gz GPEFDCPWEZZRSP-UHFFFAOYSA-N 0 0 193.637 2.031 10 0 AEAERN CS(C)(=O)=Nc1cccs1 536951501 346711865 /nfs/dbraw/zinc/71/18/65/346711865.db2.gz RXURAUMXKZMEPN-UHFFFAOYSA-N 0 0 175.278 2.107 10 0 AEAERN CC[S@](C)(=O)=Nc1ccccc1 536951279 346711887 /nfs/dbraw/zinc/71/18/87/346711887.db2.gz PLXHATOMFXZKAQ-LBPRGKRZSA-N 0 0 183.276 2.436 10 0 AEAERN CC[S@@](C)(=O)=Nc1ccccc1 536951278 346711933 /nfs/dbraw/zinc/71/19/33/346711933.db2.gz PLXHATOMFXZKAQ-GFCCVEGCSA-N 0 0 183.276 2.436 10 0 AEAERN COc1ccc(OC(C)C)cc1 575154740 346713426 /nfs/dbraw/zinc/71/34/26/346713426.db2.gz HXJLZLSEFDCUNU-UHFFFAOYSA-N 0 0 165.212 2.199 10 0 AEAERN CCOc1c(F)cccc1F 575154722 346713440 /nfs/dbraw/zinc/71/34/40/346713440.db2.gz GOPSJAMBONAGEY-UHFFFAOYSA-N 0 0 157.139 2.430 10 0 AEAERN CCOc1ccc(F)c(F)c1 575154561 346713451 /nfs/dbraw/zinc/71/34/51/346713451.db2.gz ALIUXMIYSGKVBM-UHFFFAOYSA-N 0 0 157.139 2.430 10 0 AEAERN COc1cccc(Cl)c1 575154683 346713491 /nfs/dbraw/zinc/71/34/91/346713491.db2.gz DSILMUDFYQKDPQ-UHFFFAOYSA-N 0 0 141.577 2.012 10 0 AEAERN CCOc1ccc(Cl)cc1 575154611 346713495 /nfs/dbraw/zinc/71/34/95/346713495.db2.gz BRQDBQBRGVGPKC-UHFFFAOYSA-N 0 0 155.604 2.402 10 0 AEAERN COc1c(F)cccc1F 575154766 346713508 /nfs/dbraw/zinc/71/35/08/346713508.db2.gz FDFWAVAHWJXKAI-UHFFFAOYSA-N 0 0 143.112 2.040 10 0 AEAERN CCOc1cccc(F)c1 575154667 346713525 /nfs/dbraw/zinc/71/35/25/346713525.db2.gz DNAHKCVQSONWDO-UHFFFAOYSA-N 0 0 139.149 2.133 10 0 AEAERN FC(F)c1ccccc1 575154769 346713547 /nfs/dbraw/zinc/71/35/47/346713547.db2.gz GNNXNBBOAHIJNI-UHFFFAOYSA-N 0 0 127.113 2.107 10 0 AEAERN CCCOc1ccccc1OC 575154749 346713549 /nfs/dbraw/zinc/71/35/49/346713549.db2.gz IUEKLYNINKSKFU-UHFFFAOYSA-N 0 0 165.212 2.200 10 0 AEAERN CCOc1cccc(F)c1F 575154706 346713553 /nfs/dbraw/zinc/71/35/53/346713553.db2.gz FYHQTGBHXZUXPJ-UHFFFAOYSA-N 0 0 157.139 2.430 10 0 AEAERN Fc1ccccc1C(F)F 575154781 346713565 /nfs/dbraw/zinc/71/35/65/346713565.db2.gz KJPMMJYYJWXONU-UHFFFAOYSA-N 0 0 145.103 2.404 10 0 AEAERN COc1cccc(C)c1C 575154771 346713600 /nfs/dbraw/zinc/71/36/00/346713600.db2.gz 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346727960 /nfs/dbraw/zinc/72/79/60/346727960.db2.gz XULUVLKZZYWUMQ-YVMONPNESA-N 0 0 166.220 2.035 10 0 AEAERN O=C1C/C=C\CC(=O)CCCCC1 584611870 346727979 /nfs/dbraw/zinc/72/79/79/346727979.db2.gz NTWSZRMBUQTEHX-PLNGDYQASA-N 0 0 180.247 2.425 10 0 AEAERN COCOCCc1ccccc1C 584612674 346728005 /nfs/dbraw/zinc/72/80/05/346728005.db2.gz BJMBBKQHQAVODA-UHFFFAOYSA-N 0 0 180.247 2.158 10 0 AEAERN CC/C=C\CCCCNO 584611685 346728156 /nfs/dbraw/zinc/72/81/56/346728156.db2.gz PNPBEJAZAIZTJP-ARJAWSKDSA-N 0 0 143.230 2.102 10 0 AEAERN COc1ccc(/C=C\OC(C)=O)cc1 584611178 346728169 /nfs/dbraw/zinc/72/81/69/346728169.db2.gz SPPXZWIFOATPRB-FPLPWBNLSA-N 0 0 192.214 2.229 10 0 AEAERN COC(=O)/C=C(/C)Oc1ccccc1 584611425 346728172 /nfs/dbraw/zinc/72/81/72/346728172.db2.gz FBZCETVGFZUIME-HJWRWDBZSA-N 0 0 192.214 2.142 10 0 AEAERN C/C1=C/CC(=O)CCCCC(=O)C1 584611254 346728207 /nfs/dbraw/zinc/72/82/07/346728207.db2.gz UXWGDTPQMCWVJO-TWGQIWQCSA-N 0 0 180.247 2.425 10 0 AEAERN CC(=O)N(C)C/C=C\c1ccccc1 584611480 346728310 /nfs/dbraw/zinc/72/83/10/346728310.db2.gz FDMIHTQFDZOTDG-TWGQIWQCSA-N 0 0 189.258 2.178 10 0 AEAERN Cc1ccc([S@](=O)CCF)cc1 584612707 346728479 /nfs/dbraw/zinc/72/84/79/346728479.db2.gz FMZOKGNEHFGLQL-GFCCVEGCSA-N 0 0 186.251 2.072 10 0 AEAERN C=C(OC(C)=O)c1cccc(OC)c1 584613285 346728556 /nfs/dbraw/zinc/72/85/56/346728556.db2.gz AVJXJZWVERYWOB-UHFFFAOYSA-N 0 0 192.214 2.229 10 0 AEAERN COCOCCc1cccc(C)c1 584612689 346728561 /nfs/dbraw/zinc/72/85/61/346728561.db2.gz DJIIKRHQFQDZNO-UHFFFAOYSA-N 0 0 180.247 2.158 10 0 AEAERN Cc1ccc([S@@](=O)CCF)cc1 584612708 346728578 /nfs/dbraw/zinc/72/85/78/346728578.db2.gz FMZOKGNEHFGLQL-LBPRGKRZSA-N 0 0 186.251 2.072 10 0 AEAERN OC1([C@H]2C=COCC2)CCCCC1 584613523 346728594 /nfs/dbraw/zinc/72/85/94/346728594.db2.gz OVMXDSJEVIWOMR-JTQLQIEISA-N 0 0 182.263 2.232 10 0 AEAERN CC1(C)CC=C(C2(O)CCC2)OC1 584613441 346728632 /nfs/dbraw/zinc/72/86/32/346728632.db2.gz GRGXDZDDJHGDGB-UHFFFAOYSA-N 0 0 182.263 2.232 10 0 AEAERN OC1([C@@H]2C=COCC2)CCCCC1 584613525 346728690 /nfs/dbraw/zinc/72/86/90/346728690.db2.gz OVMXDSJEVIWOMR-SNVBAGLBSA-N 0 0 182.263 2.232 10 0 AEAERN C[C@H]1CC[C@@H](n2cnc(C=O)c2)CC1 584613643 346729135 /nfs/dbraw/zinc/72/91/35/346729135.db2.gz CGXAAHJRIRBKPL-JGZJWPJOSA-N 0 0 192.262 2.447 10 0 AEAERN Fc1ccnc2cc(Cl)cnc12 584615874 346729282 /nfs/dbraw/zinc/72/92/82/346729282.db2.gz PMZGRMVFVYELSL-UHFFFAOYSA-N 0 0 182.585 2.422 10 0 AEAERN Cc1ccc2c(c1)C1(CC1)C(=O)N2C 584615905 346729292 /nfs/dbraw/zinc/72/92/92/346729292.db2.gz TZHHVKBQGGLDDJ-UHFFFAOYSA-N 0 0 187.242 2.003 10 0 AEAERN CO/C=C1/CCO[C@@H](C2CC2)C1 584625324 346732687 /nfs/dbraw/zinc/73/26/87/346732687.db2.gz AWYNEXGNAPUGHL-GQYWMQPJSA-N 0 0 168.236 2.106 10 0 AEAERN Cc1nn(CC2CCCCC2)cc1N 584619034 346729932 /nfs/dbraw/zinc/72/99/32/346729932.db2.gz BVAGSIWCJZJELT-UHFFFAOYSA-N 0 0 193.294 2.354 10 0 AEAERN Fc1c(C(F)(F)F)n[nH]c1C1CC1 584619058 346730006 /nfs/dbraw/zinc/73/00/06/346730006.db2.gz BVVMGHAFNMMYSC-UHFFFAOYSA-N 0 0 194.131 2.445 10 0 AEAERN COc1cccn2nc3ccccc3c12 584617694 346730012 /nfs/dbraw/zinc/73/00/12/346730012.db2.gz JUBKZEWSNKQJDR-UHFFFAOYSA-N 0 0 198.225 2.496 10 0 AEAERN OCc1cc2cc(Cl)cc(F)c2[nH]1 584618830 346730074 /nfs/dbraw/zinc/73/00/74/346730074.db2.gz SHYCUQYFEADCOY-UHFFFAOYSA-N 0 0 199.612 2.453 10 0 AEAERN Cn1nc(C2(F)CC2)cc1Cl 584619432 346730867 /nfs/dbraw/zinc/73/08/67/346730867.db2.gz OMIGOUIOFWKZAV-UHFFFAOYSA-N 0 0 174.606 2.032 10 0 AEAERN CC(C)CCN1C(=O)CC[C@H]1C 584619792 346730580 /nfs/dbraw/zinc/73/05/80/346730580.db2.gz DWMAQONQCJSDEN-SECBINFHSA-N 0 0 169.268 2.043 10 0 AEAERN Cc1cc2[nH]c(CO)cc2c(Cl)n1 584619890 346730630 /nfs/dbraw/zinc/73/06/30/346730630.db2.gz HBKWRXDDIABOQM-UHFFFAOYSA-N 0 0 196.637 2.017 10 0 AEAERN C=CC1=CCC[C@](C)(O)C1 584619826 346730670 /nfs/dbraw/zinc/73/06/70/346730670.db2.gz FGFKHKWIAUGPJA-VIFPVBQESA-N 0 0 138.210 2.034 10 0 AEAERN C=CC1=CCC[C@@](C)(O)C1 584619819 346730709 /nfs/dbraw/zinc/73/07/09/346730709.db2.gz FGFKHKWIAUGPJA-SECBINFHSA-N 0 0 138.210 2.034 10 0 AEAERN Cn1ncc2c1Oc1ccccc1N=C2 584619922 346730738 /nfs/dbraw/zinc/73/07/38/346730738.db2.gz MPYVOQPTYZGXRV-UHFFFAOYSA-N 0 0 199.213 2.276 10 0 AEAERN CC(C)CCN1C(=O)CC[C@@H]1C 584619797 346730756 /nfs/dbraw/zinc/73/07/56/346730756.db2.gz DWMAQONQCJSDEN-VIFPVBQESA-N 0 0 169.268 2.043 10 0 AEAERN C=C(OC)c1cccc(OC)c1 584620040 346730759 /nfs/dbraw/zinc/73/07/59/346730759.db2.gz YLQAQUNFXRGAGF-UHFFFAOYSA-N 0 0 164.204 2.312 10 0 AEAERN Cc1c(N)cnn1CC1CCCCC1 584619291 346730803 /nfs/dbraw/zinc/73/08/03/346730803.db2.gz UDVZASVYPQYJKH-UHFFFAOYSA-N 0 0 193.294 2.354 10 0 AEAERN CCOC(=O)c1cn(C)cc1C1CC1 584620191 346730822 /nfs/dbraw/zinc/73/08/22/346730822.db2.gz RYMZZWWAVZSSHY-UHFFFAOYSA-N 0 0 193.246 2.079 10 0 AEAERN Cc1cc2nc(C=O)cc-2c(Cl)[nH]1 584620267 346730841 /nfs/dbraw/zinc/73/08/41/346730841.db2.gz XTYFMAMGEVOOHW-UHFFFAOYSA-N 0 0 194.621 2.337 10 0 AEAERN CC1=CN(C)C(=O)c2ccccc2C1 584623185 346731844 /nfs/dbraw/zinc/73/18/44/346731844.db2.gz QXEGEQPSUFGFOO-UHFFFAOYSA-N 0 0 187.242 2.219 10 0 AEAERN CC1(C)OC(C2CC2)OC1(C)C 584625211 346732173 /nfs/dbraw/zinc/73/21/73/346732173.db2.gz IYMKLYPAYFEUGT-UHFFFAOYSA-N 0 0 170.252 2.327 10 0 AEAERN COc1cc(Cl)c(O)cc1C 584624599 346732056 /nfs/dbraw/zinc/73/20/56/346732056.db2.gz GKPAJJZWLYTPQS-UHFFFAOYSA-N 0 0 172.611 2.363 10 0 AEAERN CCN=c1cc(C(C)C)cccc1O 584625157 346732065 /nfs/dbraw/zinc/73/20/65/346732065.db2.gz DMXZUVIAISVIST-UHFFFAOYSA-N 0 0 191.274 2.436 10 0 AEAERN CC[C@@H]1C=Cc2c(O)cc(O)cc2O1 584625200 346732144 /nfs/dbraw/zinc/73/21/44/346732144.db2.gz GGPGUYLRZADHKX-MRVPVSSYSA-N 0 0 192.214 2.282 10 0 AEAERN C(=C/c1ccccc1)\CC1OCCO1 584624717 346732185 /nfs/dbraw/zinc/73/21/85/346732185.db2.gz KAGHWBGOOSBWOI-QPJJXVBHSA-N 0 0 190.242 2.463 10 0 AEAERN CCOc1cc(C)cc(OC)c1O 584625216 346732197 /nfs/dbraw/zinc/73/21/97/346732197.db2.gz JWKCXHDLDYUSAR-UHFFFAOYSA-N 0 0 182.219 2.108 10 0 AEAERN CC[C@H]1C=Cc2c(O)cc(O)cc2O1 584625202 346732417 /nfs/dbraw/zinc/73/24/17/346732417.db2.gz GGPGUYLRZADHKX-QMMMGPOBSA-N 0 0 192.214 2.282 10 0 AEAERN CC1(C)CN=C(Cc2ccccc2)O1 584624653 346732408 /nfs/dbraw/zinc/73/24/08/346732408.db2.gz CILIYYUZBPITSN-UHFFFAOYSA-N 0 0 189.258 2.436 10 0 AEAERN CCC1(CC)C(=O)Nc2cnccc21 584625094 346732428 /nfs/dbraw/zinc/73/24/28/346732428.db2.gz CGJZVXJEBWYTGO-UHFFFAOYSA-N 0 0 190.246 2.092 10 0 AEAERN CO/C=C1/CCO[C@H](C2CC2)C1 584625320 346732637 /nfs/dbraw/zinc/73/26/37/346732637.db2.gz AWYNEXGNAPUGHL-DMEOUFDRSA-N 0 0 168.236 2.106 10 0 AEAERN N=C1O[C@H](c2ccccc2)CS1 584625263 346732653 /nfs/dbraw/zinc/73/26/53/346732653.db2.gz NZCZCIOKUYRVKE-QMMMGPOBSA-N 0 0 179.244 2.426 10 0 AEAERN N=C1O[C@@H](c2ccccc2)CS1 584625258 346732665 /nfs/dbraw/zinc/73/26/65/346732665.db2.gz NZCZCIOKUYRVKE-MRVPVSSYSA-N 0 0 179.244 2.426 10 0 AEAERN Clc1nccc2c1CCCO2 584625353 346732683 /nfs/dbraw/zinc/73/26/83/346732683.db2.gz LABIFYTZLZHIHW-UHFFFAOYSA-N 0 0 169.611 2.060 10 0 AEAERN c1ccc(-n2cc3ccncc3n2)cc1 584627156 346732985 /nfs/dbraw/zinc/73/29/85/346732985.db2.gz LFAPLDQXJVQKRD-UHFFFAOYSA-N 0 0 195.225 2.421 10 0 AEAERN CON1C=CCC2=C(CCCC2)C1=O 584626587 346733006 /nfs/dbraw/zinc/73/30/06/346733006.db2.gz OMDZJAIULPSESB-UHFFFAOYSA-N 0 0 193.246 2.164 10 0 AEAERN CCCOc1cc(C)cc(OC)c1O 584626603 346733129 /nfs/dbraw/zinc/73/31/29/346733129.db2.gz PPEWLGRRXFJTBO-UHFFFAOYSA-N 0 0 196.246 2.498 10 0 AEAERN C[C@@]12CC(=O)O[C@@H]1c1ccccc1C2 584626561 346733144 /nfs/dbraw/zinc/73/31/44/346733144.db2.gz RKUVUSZXWTVWOX-VXGBXAGGSA-N 0 0 188.226 2.237 10 0 AEAERN C1=C[C@H](c2ccccc2)[C@@H]2O[C@@H]2C1 584627141 346733161 /nfs/dbraw/zinc/73/31/61/346733161.db2.gz JQCDTPIOPLRUKU-UTUOFQBUSA-N 0 0 172.227 2.498 10 0 AEAERN C1=C[C@H](c2ccccc2)[C@H]2O[C@H]2C1 584627139 346733359 /nfs/dbraw/zinc/73/33/59/346733359.db2.gz JQCDTPIOPLRUKU-GRYCIOLGSA-N 0 0 172.227 2.498 10 0 AEAERN COc1ccc(Cl)c2c1CC(=O)C2 584626737 346733368 /nfs/dbraw/zinc/73/33/68/346733368.db2.gz ZVNUKMBBEGAOIB-UHFFFAOYSA-N 0 0 196.633 2.016 10 0 AEAERN Nc1cnc([C@H]2CC[C@H](F)CC2)cn1 584628550 346733674 /nfs/dbraw/zinc/73/36/74/346733674.db2.gz NATNTOSBEAUAOH-ZKCHVHJHSA-N 0 0 195.241 2.055 10 0 AEAERN CCc1cc(CSC)cc(N)n1 584628390 346733752 /nfs/dbraw/zinc/73/37/52/346733752.db2.gz NPABQECIYAKXLA-UHFFFAOYSA-N 0 0 182.292 2.089 10 0 AEAERN FC1(F)C[C@H]1CNc1ccccn1 584628699 346733910 /nfs/dbraw/zinc/73/39/10/346733910.db2.gz SKHVSBHYADFGCL-ZETCQYMHSA-N 0 0 184.189 2.149 10 0 AEAERN FC1(F)C[C@@H]1CNc1ccccn1 584628694 346733958 /nfs/dbraw/zinc/73/39/58/346733958.db2.gz SKHVSBHYADFGCL-SSDOTTSWSA-N 0 0 184.189 2.149 10 0 AEAERN CC(C)(F)CNc1ccccn1 584628932 346733976 /nfs/dbraw/zinc/73/39/76/346733976.db2.gz ZXRVYDAGXMHLHI-UHFFFAOYSA-N 0 0 168.215 2.242 10 0 AEAERN C(=C1CC1)c1cccnc1 584629591 346734364 /nfs/dbraw/zinc/73/43/64/346734364.db2.gz IEDYZJXYENNJSR-UHFFFAOYSA-N 0 0 131.178 2.259 10 0 AEAERN Cc1c[nH]c(-c2cccnc2)c1 584629780 346734399 /nfs/dbraw/zinc/73/43/99/346734399.db2.gz UEMKUUNKTZXLBP-UHFFFAOYSA-N 0 0 158.204 2.385 10 0 AEAERN CCC(O)(CC)[C@@H]1C=COCC1 584629676 346734428 /nfs/dbraw/zinc/73/44/28/346734428.db2.gz OCAWXSAKKFXKIF-SECBINFHSA-N 0 0 170.252 2.088 10 0 AEAERN CCC(O)(CC)[C@H]1C=COCC1 584629681 346734486 /nfs/dbraw/zinc/73/44/86/346734486.db2.gz OCAWXSAKKFXKIF-VIFPVBQESA-N 0 0 170.252 2.088 10 0 AEAERN CO[C@@H]1OCCc2ccc(C)cc21 584630733 346734749 /nfs/dbraw/zinc/73/47/49/346734749.db2.gz SNQLLQIJDMTIRS-LLVKDONJSA-N 0 0 178.231 2.213 10 0 AEAERN C=Cc1ccc(C(=O)OC)s1 584630228 346734776 /nfs/dbraw/zinc/73/47/76/346734776.db2.gz PXRCODCJOKSTRY-UHFFFAOYSA-N 0 0 168.217 2.178 10 0 AEAERN C[C@H]1C[C@@H](c2cccs2)C(=O)O1 584630740 346734900 /nfs/dbraw/zinc/73/49/00/346734900.db2.gz BPWUOGCMPQAFMO-BQBZGAKWSA-N 0 0 182.244 2.167 10 0 AEAERN O=Cc1ccc(CCF)s1 584630445 346735058 /nfs/dbraw/zinc/73/50/58/346735058.db2.gz ZVZZIOIFMDQTKO-UHFFFAOYSA-N 0 0 158.197 2.073 10 0 AEAERN C[C@H]1C[C@H](c2cccs2)C(=O)O1 584630741 346735109 /nfs/dbraw/zinc/73/51/09/346735109.db2.gz BPWUOGCMPQAFMO-NKWVEPMBSA-N 0 0 182.244 2.167 10 0 AEAERN CC(=O)C1=NO[C@H](C2CCCCC2)C1 584630887 346735286 /nfs/dbraw/zinc/73/52/86/346735286.db2.gz FTZKXJIMILJFHG-NSHDSACASA-N 0 0 195.262 2.301 10 0 AEAERN CCCN1COc2ccccc2C1 584630772 346735311 /nfs/dbraw/zinc/73/53/11/346735311.db2.gz VPCCCYQPHUWRNG-UHFFFAOYSA-N 0 0 177.247 2.249 10 0 AEAERN c1ccc(-c2cnc3ccccn23)nc1 584630818 346735384 /nfs/dbraw/zinc/73/53/84/346735384.db2.gz OPGDEZDPQLFZMK-UHFFFAOYSA-N 0 0 195.225 2.396 10 0 AEAERN CC(=O)C1=NO[C@@H](C2CCCCC2)C1 584630886 346735391 /nfs/dbraw/zinc/73/53/91/346735391.db2.gz FTZKXJIMILJFHG-LLVKDONJSA-N 0 0 195.262 2.301 10 0 AEAERN CO[C@H]1OCCc2ccc(C)cc21 584630743 346735434 /nfs/dbraw/zinc/73/54/34/346735434.db2.gz SNQLLQIJDMTIRS-NSHDSACASA-N 0 0 178.231 2.213 10 0 AEAERN C[C@@H]1C[C@@H](c2cccs2)C(=O)O1 584630744 346735514 /nfs/dbraw/zinc/73/55/14/346735514.db2.gz BPWUOGCMPQAFMO-RQJHMYQMSA-N 0 0 182.244 2.167 10 0 AEAERN C[C@@H]1C[C@H](c2cccs2)C(=O)O1 584630742 346735538 /nfs/dbraw/zinc/73/55/38/346735538.db2.gz BPWUOGCMPQAFMO-RNFRBKRXSA-N 0 0 182.244 2.167 10 0 AEAERN CNc1cc(OC)ccc1N=O 584638532 346738279 /nfs/dbraw/zinc/73/82/79/346738279.db2.gz JFCWCZLCWUAVML-UHFFFAOYSA-N 0 0 166.180 2.135 10 0 AEAERN Oc1ccc(CCC2CC2)nc1 584633681 346736436 /nfs/dbraw/zinc/73/64/36/346736436.db2.gz GJUIBRRZVMFITG-UHFFFAOYSA-N 0 0 163.220 2.130 10 0 AEAERN Cc1cncc(NCC(F)(F)F)c1 584633358 346736504 /nfs/dbraw/zinc/73/65/04/346736504.db2.gz GBGVQTTZGXJGBW-UHFFFAOYSA-N 0 0 190.168 2.364 10 0 AEAERN CCCC/C(C)=C/N1CCOCC1 584633595 346736515 /nfs/dbraw/zinc/73/65/15/346736515.db2.gz ZTPQPMUXYWNSEB-ZHACJKMWSA-N 0 0 183.295 2.413 10 0 AEAERN Oc1ccc([C@@H]2C=CCO2)cc1 584633475 346736523 /nfs/dbraw/zinc/73/65/23/346736523.db2.gz PSHFUOHIAQHLJY-JTQLQIEISA-N 0 0 162.188 2.020 10 0 AEAERN COC1=CN=C2CCC[C@@H]2C=C1 584632389 346736529 /nfs/dbraw/zinc/73/65/29/346736529.db2.gz XBFXZKAJHVCXAV-MRVPVSSYSA-N 0 0 163.220 2.285 10 0 AEAERN COC1=CN=C2CCC[C@H]2C=C1 584632392 346736534 /nfs/dbraw/zinc/73/65/34/346736534.db2.gz XBFXZKAJHVCXAV-QMMMGPOBSA-N 0 0 163.220 2.285 10 0 AEAERN Oc1ccc([C@H]2C=CCO2)cc1 584633477 346736560 /nfs/dbraw/zinc/73/65/60/346736560.db2.gz PSHFUOHIAQHLJY-SNVBAGLBSA-N 0 0 162.188 2.020 10 0 AEAERN C/C=C/c1onc(C(=O)OCC)c1C 584632360 346736586 /nfs/dbraw/zinc/73/65/86/346736586.db2.gz VLOBRGCTXWESCJ-GQCTYLIASA-N 0 0 195.218 2.193 10 0 AEAERN c1ccc2c(c1)CCO[C@@]21CCCO1 584634428 346736980 /nfs/dbraw/zinc/73/69/80/346736980.db2.gz DWBIEIRNSYGONK-LBPRGKRZSA-N 0 0 190.242 2.223 10 0 AEAERN CCOC(OCC)C(C)(C)C(C)=O 584634421 346737006 /nfs/dbraw/zinc/73/70/06/346737006.db2.gz CYWNJHSUHNKONH-UHFFFAOYSA-N 0 0 188.267 2.001 10 0 AEAERN COc1cc2c(c(OC)c1)[C@@H](C)CN2 584635782 346737220 /nfs/dbraw/zinc/73/72/20/346737220.db2.gz UUMLZPWQMMKAHR-ZETCQYMHSA-N 0 0 193.246 2.233 10 0 AEAERN CCc1ccc(N(C)N=O)cc1 584635942 346737228 /nfs/dbraw/zinc/73/72/28/346737228.db2.gz USCACUJEIVDRBI-UHFFFAOYSA-N 0 0 164.208 2.367 10 0 AEAERN COc1ccc(OC)c2c1CSC2 584635742 346737353 /nfs/dbraw/zinc/73/73/53/346737353.db2.gz NLMZTBBIMJJMMH-UHFFFAOYSA-N 0 0 196.271 2.451 10 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189.243 2.183 10 0 AEAERN CCCOc1cc(C=O)cc(C)c1O 584636317 346738104 /nfs/dbraw/zinc/73/81/04/346738104.db2.gz WMPQGSHSBHLFKP-UHFFFAOYSA-N 0 0 194.230 2.302 10 0 AEAERN C=CC(=O)Oc1cc(O)ccc1C=C 584638601 346738250 /nfs/dbraw/zinc/73/82/50/346738250.db2.gz IAZLOEAIWLKDSF-UHFFFAOYSA-N 0 0 190.198 2.127 10 0 AEAERN COCc1c(F)ccc2c1CCC2=O 584638389 346738271 /nfs/dbraw/zinc/73/82/71/346738271.db2.gz RIVCJCMUQRTSAF-UHFFFAOYSA-N 0 0 194.205 2.101 10 0 AEAERN Cc1cc(O)cc2c1O[C@H](C)C2 584638613 346738285 /nfs/dbraw/zinc/73/82/85/346738285.db2.gz IFBVKVOAIMYQBY-SSDOTTSWSA-N 0 0 164.204 2.024 10 0 AEAERN C1=NO[C@@H](Cc2ccccc2)C1 584637844 346738293 /nfs/dbraw/zinc/73/82/93/346738293.db2.gz ZUVJETHBILIXMC-SNVBAGLBSA-N 0 0 161.204 2.004 10 0 AEAERN CC(C)[C@]1(C(F)(F)F)C=CC(=O)O1 584638713 346738321 /nfs/dbraw/zinc/73/83/21/346738321.db2.gz MUPMDJADAXRQQY-ZETCQYMHSA-N 0 0 194.152 2.057 10 0 AEAERN Cc1cc(O)cc2c1O[C@@H](C)C2 584638615 346738322 /nfs/dbraw/zinc/73/83/22/346738322.db2.gz IFBVKVOAIMYQBY-ZETCQYMHSA-N 0 0 164.204 2.024 10 0 AEAERN Cc1ccc(C2=NC[C@@H](C)O2)cc1 584638630 346738335 /nfs/dbraw/zinc/73/83/35/346738335.db2.gz QPHDNLOETNUXNT-SECBINFHSA-N 0 0 175.231 2.160 10 0 AEAERN CCCC[C@]1(C)OC(=O)C(=O)C1C 584637893 346738343 /nfs/dbraw/zinc/73/83/43/346738343.db2.gz ZHTQNHMNGBINJX-JTQLQIEISA-N 0 0 184.235 2.324 10 0 AEAERN C1=NO[C@H](Cc2ccccc2)C1 584637843 346738368 /nfs/dbraw/zinc/73/83/68/346738368.db2.gz ZUVJETHBILIXMC-JTQLQIEISA-N 0 0 161.204 2.004 10 0 AEAERN CC(=O)OCCCC=C(C)C 584638608 346738379 /nfs/dbraw/zinc/73/83/79/346738379.db2.gz PJDWPNFLWJGDIO-UHFFFAOYSA-N 0 0 156.225 2.296 10 0 AEAERN Cc1ccc(Nc2nnc(C)o2)cc1 584638592 346738388 /nfs/dbraw/zinc/73/83/88/346738388.db2.gz OZWLQGACFIHJBQ-UHFFFAOYSA-N 0 0 189.218 2.430 10 0 AEAERN CCCC[C@@]1(C)OC(=O)C(=O)C1C 584637894 346738438 /nfs/dbraw/zinc/73/84/38/346738438.db2.gz ZHTQNHMNGBINJX-SNVBAGLBSA-N 0 0 184.235 2.324 10 0 AEAERN C[C@@H]1CCc2sc(C=O)cc2O1 584638826 346738444 /nfs/dbraw/zinc/73/84/44/346738444.db2.gz QPHTYSSXOGUKBL-ZCFIWIBFSA-N 0 0 182.244 2.274 10 0 AEAERN CCC(CC)N1C(=O)CC[C@H]1C 584638473 346738449 /nfs/dbraw/zinc/73/84/49/346738449.db2.gz BKHOZGUBJWFCDD-MRVPVSSYSA-N 0 0 169.268 2.186 10 0 AEAERN C[C@@H]1C(=O)N(C)c2ccc(Cl)cc21 584638381 346738453 /nfs/dbraw/zinc/73/84/53/346738453.db2.gz UYWLPFHKURNNPH-LURJTMIESA-N 0 0 195.649 2.420 10 0 AEAERN CCCN1C(=O)Cc2cc(C)ccc21 584638497 346738457 /nfs/dbraw/zinc/73/84/57/346738457.db2.gz GDKJBARPAZHJGB-UHFFFAOYSA-N 0 0 189.258 2.294 10 0 AEAERN C[C@H]1CCc2sc(C=O)cc2O1 584638823 346738495 /nfs/dbraw/zinc/73/84/95/346738495.db2.gz QPHTYSSXOGUKBL-LURJTMIESA-N 0 0 182.244 2.274 10 0 AEAERN CCC(CC)N1C(=O)CC[C@@H]1C 584638474 346738542 /nfs/dbraw/zinc/73/85/42/346738542.db2.gz BKHOZGUBJWFCDD-QMMMGPOBSA-N 0 0 169.268 2.186 10 0 AEAERN C[C@H]1C(=O)N(C)c2ccc(Cl)cc21 584638382 346738620 /nfs/dbraw/zinc/73/86/20/346738620.db2.gz UYWLPFHKURNNPH-ZCFIWIBFSA-N 0 0 195.649 2.420 10 0 AEAERN Cc1ccc(C2=NC[C@H](C)O2)cc1 584638639 346738627 /nfs/dbraw/zinc/73/86/27/346738627.db2.gz QPHDNLOETNUXNT-VIFPVBQESA-N 0 0 175.231 2.160 10 0 AEAERN CC(C)[C@@]1(C(F)(F)F)C=CC(=O)O1 584638708 346738673 /nfs/dbraw/zinc/73/86/73/346738673.db2.gz MUPMDJADAXRQQY-SSDOTTSWSA-N 0 0 194.152 2.057 10 0 AEAERN COc1ccc2c(c1)CC[Si]2(C)C 584638913 346738837 /nfs/dbraw/zinc/73/88/37/346738837.db2.gz VKHWJDUWDGCJRM-UHFFFAOYSA-N 0 0 192.334 2.167 10 0 AEAERN COc1ccc2ncc3cccn3c2c1 584640857 346739170 /nfs/dbraw/zinc/73/91/70/346739170.db2.gz CBDPSRUYNWYAOW-UHFFFAOYSA-N 0 0 198.225 2.496 10 0 AEAERN COc1cc2c(cc1O)C=CCCO2 584640862 346739235 /nfs/dbraw/zinc/73/92/35/346739235.db2.gz CWHIOYQOWXBCIW-UHFFFAOYSA-N 0 0 192.214 2.197 10 0 AEAERN CC1(C)Cc2ccc(F)cc2NC1=O 584640177 346739238 /nfs/dbraw/zinc/73/92/38/346739238.db2.gz MMOIMAWXDZOYSP-UHFFFAOYSA-N 0 0 193.221 2.347 10 0 AEAERN CC1(C)Cc2cccc(F)c2NC1=O 584640960 346739258 /nfs/dbraw/zinc/73/92/58/346739258.db2.gz XKDLMTRQLBIBNE-UHFFFAOYSA-N 0 0 193.221 2.347 10 0 AEAERN OCC1=C[C@@H]([C@H]2C=CCCC2)OC=C1 584641152 346739260 /nfs/dbraw/zinc/73/92/60/346739260.db2.gz KAVVXTRLEAZIHY-RYUDHWBXSA-N 0 0 192.258 2.174 10 0 AEAERN CO[C@H]1OCCc2cccc(C)c21 584640861 346739292 /nfs/dbraw/zinc/73/92/92/346739292.db2.gz CVRFAJHTMGIENE-NSHDSACASA-N 0 0 178.231 2.213 10 0 AEAERN Cc1ccc2c(c1)ncc1nccn12 584640245 346739310 /nfs/dbraw/zinc/73/93/10/346739310.db2.gz JBUMCNOEWORANC-UHFFFAOYSA-N 0 0 183.214 2.191 10 0 AEAERN C=Cc1cc(=O)oc2cc(O)ccc12 584640345 346739314 /nfs/dbraw/zinc/73/93/14/346739314.db2.gz QKHQRGCEMGJBKN-UHFFFAOYSA-N 0 0 188.182 2.142 10 0 AEAERN Cc1ccc2nc3ncccn3c2c1 584640391 346739363 /nfs/dbraw/zinc/73/93/63/346739363.db2.gz ZAEQSNAICDPILP-UHFFFAOYSA-N 0 0 183.214 2.191 10 0 AEAERN COCc1ccc(F)c2c1CCC2=O 584640318 346739370 /nfs/dbraw/zinc/73/93/70/346739370.db2.gz XNJLSCMQZDJRHF-UHFFFAOYSA-N 0 0 194.205 2.101 10 0 AEAERN Cc1cc2c(=O)[nH]cc(C)c2o1 584641715 346739373 /nfs/dbraw/zinc/73/93/73/346739373.db2.gz KZDNAGIEELPGQG-UHFFFAOYSA-N 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169.268 2.043 10 0 AEAERN CC1(C)N[C@H]1c1ccc(F)cc1F 616576993 347103406 /nfs/dbraw/zinc/10/34/06/347103406.db2.gz GPTURGFDYJDRFC-VIFPVBQESA-N 0 0 183.201 2.388 10 0 AEAERN CC(=O)CCNc1ccsc1 616577070 347103457 /nfs/dbraw/zinc/10/34/57/347103457.db2.gz HSHHDKFDANFAQQ-UHFFFAOYSA-N 0 0 169.249 2.139 10 0 AEAERN CC1(C)N[C@@H]1c1ccc(F)cc1F 616576992 347103537 /nfs/dbraw/zinc/10/35/37/347103537.db2.gz GPTURGFDYJDRFC-SECBINFHSA-N 0 0 183.201 2.388 10 0 AEAERN Cc1cccc([C@H]2NC2(C)C)c1 616579434 347104112 /nfs/dbraw/zinc/10/41/12/347104112.db2.gz SWSBHMGTHLWHGC-SNVBAGLBSA-N 0 0 161.248 2.418 10 0 AEAERN Cc1cccc([C@@H]2NC2(C)C)c1 616579425 347104129 /nfs/dbraw/zinc/10/41/29/347104129.db2.gz SWSBHMGTHLWHGC-JTQLQIEISA-N 0 0 161.248 2.418 10 0 AEAERN Cc1ccc(N[C@@H]2COC[C@H]2F)cc1 616581085 347104522 /nfs/dbraw/zinc/10/45/22/347104522.db2.gz DCRBITCYKFKNPT-GHMZBOCLSA-N 0 0 195.237 2.144 10 0 AEAERN Cc1nccn1CC1(F)CCCC1 616580819 347104549 /nfs/dbraw/zinc/10/45/49/347104549.db2.gz 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/nfs/dbraw/zinc/33/66/97/347336697.db2.gz MHIVHDSAOYJGKR-JGVFFNPUSA-N 0 0 197.303 2.128 10 0 AEAERN C[C@@H]1C[C@@H]1CSc1ncco1 629178464 347336749 /nfs/dbraw/zinc/33/67/49/347336749.db2.gz UIWGELRQSUPMCV-RNFRBKRXSA-N 0 0 169.249 2.423 10 0 AEAERN CCc1csc(=O)n1C[C@H]1C[C@H]1C 629181367 347336771 /nfs/dbraw/zinc/33/67/71/347336771.db2.gz MHIVHDSAOYJGKR-HTQZYQBOSA-N 0 0 197.303 2.128 10 0 AEAERN Cc1ccccc1[C@@H](C)S(C)(=O)=O 629182195 347337261 /nfs/dbraw/zinc/33/72/61/347337261.db2.gz PHKXNFVSMHYJGO-SECBINFHSA-N 0 0 198.287 2.101 10 0 AEAERN Cc1ccccc1[C@H](C)S(C)(=O)=O 629182196 347337452 /nfs/dbraw/zinc/33/74/52/347337452.db2.gz PHKXNFVSMHYJGO-VIFPVBQESA-N 0 0 198.287 2.101 10 0 AEAERN CCCCCNc1cc(OC)n[nH]1 629205245 347337703 /nfs/dbraw/zinc/33/77/03/347337703.db2.gz ZBDCPUCIPRJOHR-UHFFFAOYSA-N 0 0 183.255 2.020 10 0 AEAERN CCC=CCCNc1cc(OC)n[nH]1 629205620 347337891 /nfs/dbraw/zinc/33/78/91/347337891.db2.gz PCLGPMQFKQADDW-PLNGDYQASA-N 0 0 195.266 2.187 10 0 AEAERN CCC=CCCNc1cc(OC)n[nH]1 629205621 347338002 /nfs/dbraw/zinc/33/80/02/347338002.db2.gz PCLGPMQFKQADDW-SNAWJCMRSA-N 0 0 195.266 2.187 10 0 AEAERN C[C@@H]1C[C@@H]1Cn1ccnc1C1CC1 629259750 347338521 /nfs/dbraw/zinc/33/85/21/347338521.db2.gz VUMIHQGIFHLJIM-PSASIEDQSA-N 0 0 176.263 2.417 10 0 AEAERN CC(=O)CSc1nc(C(C)C)c[nH]1 629231965 347338615 /nfs/dbraw/zinc/33/86/15/347338615.db2.gz FUDSZXZCFPCHAR-UHFFFAOYSA-N 0 0 198.291 2.214 10 0 AEAERN C[C@H]1C[C@H]1Cn1ccnc1C1CC1 629259753 347338653 /nfs/dbraw/zinc/33/86/53/347338653.db2.gz VUMIHQGIFHLJIM-WPRPVWTQSA-N 0 0 176.263 2.417 10 0 AEAERN C[C@@H]1C[C@H]1Cn1ccnc1C1CC1 629259751 347338838 /nfs/dbraw/zinc/33/88/38/347338838.db2.gz VUMIHQGIFHLJIM-SCZZXKLOSA-N 0 0 176.263 2.417 10 0 AEAERN C[C@H]1C[C@@H]1Cn1ccnc1C1CC1 629259752 347338901 /nfs/dbraw/zinc/33/89/01/347338901.db2.gz VUMIHQGIFHLJIM-WCBMZHEXSA-N 0 0 176.263 2.417 10 0 AEAERN Cc1cc(C)n(C[C@@H]2C[C@H]2C)n1 629359024 347339409 /nfs/dbraw/zinc/33/94/09/347339409.db2.gz QSHCMLNSIIQXKS-XCBNKYQSSA-N 0 0 164.252 2.156 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629358876 347339353 /nfs/dbraw/zinc/33/93/53/347339353.db2.gz WWYKPRBYSNEYGX-BDAKNGLRSA-N 0 0 193.294 2.059 10 0 AEAERN Cc1ccc(OC[C@H]2C[C@H]2C)cn1 629357591 347339363 /nfs/dbraw/zinc/33/93/63/347339363.db2.gz VVPDHEXPVYAABP-PSASIEDQSA-N 0 0 177.247 2.425 10 0 AEAERN Cc1nn(C)c(C)c1OC[C@@H]1C[C@@H]1C 629358070 347339368 /nfs/dbraw/zinc/33/93/68/347339368.db2.gz MSKWJZBMAKGCDG-XVKPBYJWSA-N 0 0 194.278 2.072 10 0 AEAERN C[C@@H]1C[C@H]1COc1ccccc1CO 629359612 347339372 /nfs/dbraw/zinc/33/93/72/347339372.db2.gz VESSABTWJOACFU-KOLCDFICSA-N 0 0 192.258 2.214 10 0 AEAERN Cc1ccc(OC[C@H]2C[C@@H]2C)cn1 629357596 347339373 /nfs/dbraw/zinc/33/93/73/347339373.db2.gz VVPDHEXPVYAABP-WCBMZHEXSA-N 0 0 177.247 2.425 10 0 AEAERN Cc1cc(C)n(C[C@H]2C[C@@H]2C)n1 629359017 347339375 /nfs/dbraw/zinc/33/93/75/347339375.db2.gz QSHCMLNSIIQXKS-OIBJUYFYSA-N 0 0 164.252 2.156 10 0 AEAERN CCc1nc(CC)n(C[C@H]2C[C@H]2C)n1 629358885 347339376 /nfs/dbraw/zinc/33/93/76/347339376.db2.gz WWYKPRBYSNEYGX-RKDXNWHRSA-N 0 0 193.294 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/nfs/dbraw/zinc/34/00/38/347340038.db2.gz GKZWDPWKIBZYCG-IUCAKERBSA-N 0 0 193.246 2.125 10 0 AEAERN COc1ncccc1OC[C@H]1C[C@@H]1C 629363695 347340053 /nfs/dbraw/zinc/34/00/53/347340053.db2.gz GKZWDPWKIBZYCG-DTWKUNHWSA-N 0 0 193.246 2.125 10 0 AEAERN C[C@@H]1C[C@H]1COc1cccc(CO)c1 629359717 347340095 /nfs/dbraw/zinc/34/00/95/347340095.db2.gz YUPYODSVLVNGAH-KOLCDFICSA-N 0 0 192.258 2.214 10 0 AEAERN C[C@@H]1C[C@H]1COc1ccncc1 629362311 347340097 /nfs/dbraw/zinc/34/00/97/347340097.db2.gz UIQYYEBJKXGSTE-BDAKNGLRSA-N 0 0 163.220 2.116 10 0 AEAERN Cc1cccc(OC[C@@H]2C[C@H]2C)n1 629363296 347340134 /nfs/dbraw/zinc/34/01/34/347340134.db2.gz DHATWIBKSVRJOQ-SCZZXKLOSA-N 0 0 177.247 2.425 10 0 AEAERN C[C@H]1C[C@@H]1COc1cccc(CO)c1 629359716 347340144 /nfs/dbraw/zinc/34/01/44/347340144.db2.gz YUPYODSVLVNGAH-GXSJLCMTSA-N 0 0 192.258 2.214 10 0 AEAERN C[C@@H]1C[C@@H]1COc1cccc(CO)c1 629359718 347340154 /nfs/dbraw/zinc/34/01/54/347340154.db2.gz YUPYODSVLVNGAH-MWLCHTKSSA-N 0 0 192.258 2.214 10 0 AEAERN 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/nfs/dbraw/zinc/37/39/47/347373947.db2.gz DZXWUSAOVAFFLC-XCBNKYQSSA-N 0 0 164.252 2.156 10 0 AEAERN CC[C@H](C)C(=O)Cn1cc(C)nc1C 631013839 347374580 /nfs/dbraw/zinc/37/45/80/347374580.db2.gz ZYJVBVNHBLTVMQ-QMMMGPOBSA-N 0 0 194.278 2.115 10 0 AEAERN Cc1cn(CCC(F)(F)F)c(C)n1 631013063 347374584 /nfs/dbraw/zinc/37/45/84/347374584.db2.gz BNDHUCNBKXPSHD-UHFFFAOYSA-N 0 0 192.184 2.452 10 0 AEAERN CC[C@@H](C)C(=O)Cn1cc(C)nc1C 631013836 347374678 /nfs/dbraw/zinc/37/46/78/347374678.db2.gz ZYJVBVNHBLTVMQ-MRVPVSSYSA-N 0 0 194.278 2.115 10 0 AEAERN CCCCC(=O)Cn1cc(C)nc1C 631013061 347374742 /nfs/dbraw/zinc/37/47/42/347374742.db2.gz RUHYEIUNWTUBNP-UHFFFAOYSA-N 0 0 194.278 2.259 10 0 AEAERN CCCCC(=O)Cn1ccnc1CC 631013523 347374879 /nfs/dbraw/zinc/37/48/79/347374879.db2.gz BHCGUDYZKSDKKB-UHFFFAOYSA-N 0 0 194.278 2.205 10 0 AEAERN CSc1nc(C)c(C2CC2)c(=O)[nH]1 631024414 347375215 /nfs/dbraw/zinc/37/52/15/347375215.db2.gz SIUTYKOEONSDNL-UHFFFAOYSA-N 0 0 196.275 2.090 10 0 AEAERN CNc1nc(C(C)C)nc2[nH]ccc12 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347404773 /nfs/dbraw/zinc/40/47/73/347404773.db2.gz CDRRIWSXJCQIEE-UHFFFAOYSA-N 0 0 187.258 2.041 10 0 AEAERN CC(C)(F)CNC(=O)C[C@H]1C=CCC1 633727536 347404781 /nfs/dbraw/zinc/40/47/81/347404781.db2.gz QTDIUINKGMLWBL-VIFPVBQESA-N 0 0 199.269 2.207 10 0 AEAERN Cc1ccoc1C(=O)NCC(C)(C)F 633728067 347404948 /nfs/dbraw/zinc/40/49/48/347404948.db2.gz YKJUXCUJQIXVPU-UHFFFAOYSA-N 0 0 199.225 2.066 10 0 AEAERN O=C(N[C@H]1CCCC12CC2)C1CCC1 633769050 347404960 /nfs/dbraw/zinc/40/49/60/347404960.db2.gz MKOVBHBLAMIESP-JTQLQIEISA-N 0 0 193.290 2.235 10 0 AEAERN CC(C)(C)C(=O)N[C@@H]1CCCC12CC2 633772873 347404966 /nfs/dbraw/zinc/40/49/66/347404966.db2.gz YUHMMWNKRUYADQ-SECBINFHSA-N 0 0 195.306 2.481 10 0 AEAERN CCCC(=O)N[C@@H]1CCCC12CC2 633766508 347405046 /nfs/dbraw/zinc/40/50/46/347405046.db2.gz AYFBIVUFLYPHKC-SECBINFHSA-N 0 0 181.279 2.235 10 0 AEAERN O=C(N[C@@H]1CCCC12CC2)C1CCC1 633769051 347405123 /nfs/dbraw/zinc/40/51/23/347405123.db2.gz MKOVBHBLAMIESP-SNVBAGLBSA-N 0 0 193.290 2.235 10 0 AEAERN 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CCc1nccn1CC(F)(F)CC 641471802 347573466 /nfs/dbraw/zinc/57/34/66/347573466.db2.gz FYLBLUMNIGFKBB-UHFFFAOYSA-N 0 0 188.221 2.491 10 0 AEAERN CCc1nnc(SCCCF)o1 641560490 347576193 /nfs/dbraw/zinc/57/61/93/347576193.db2.gz CJSAPDWHPODZGK-UHFFFAOYSA-N 0 0 190.243 2.084 10 0 AEAERN CC1(C)CC(Nc2ccncc2F)C1 641670054 347578830 /nfs/dbraw/zinc/57/88/30/347578830.db2.gz SRDIJKPJRRSCOB-UHFFFAOYSA-N 0 0 194.253 2.243 10 0 AEAERN CCOc1ccn(CCCCF)n1 641729417 347582215 /nfs/dbraw/zinc/58/22/15/347582215.db2.gz AGXGNTOLVPLDSH-UHFFFAOYSA-N 0 0 186.230 2.032 10 0 AEAERN CCOc1ccn(C2CCCC2)n1 641729515 347582188 /nfs/dbraw/zinc/58/21/88/347582188.db2.gz FHMAZPQHCNUSGT-UHFFFAOYSA-N 0 0 180.251 2.397 10 0 AEAERN COc1ccc(OCCCCF)cn1 641732299 347582656 /nfs/dbraw/zinc/58/26/56/347582656.db2.gz DKQGAUFDIYDWIM-UHFFFAOYSA-N 0 0 199.225 2.219 10 0 AEAERN COc1ccc(OCC2CCC2)cn1 641732462 347582905 /nfs/dbraw/zinc/58/29/05/347582905.db2.gz FCKUQTZZZLFAHJ-UHFFFAOYSA-N 0 0 193.246 2.269 10 0 AEAERN C[C@@H]1C[C@@H]1C(=O)NCCC1CCCC1 641954612 347587236 /nfs/dbraw/zinc/58/72/36/347587236.db2.gz RGBCNQUTHKBGTK-KOLCDFICSA-N 0 0 195.306 2.339 10 0 AEAERN C[C@H]1C[C@H]1C(=O)NCCC1CCCC1 641954611 347587503 /nfs/dbraw/zinc/58/75/03/347587503.db2.gz RGBCNQUTHKBGTK-GXSJLCMTSA-N 0 0 195.306 2.339 10 0 AEAERN C[C@@H]1C[C@H]1C(=O)NCCC1CCCC1 641954613 347587539 /nfs/dbraw/zinc/58/75/39/347587539.db2.gz RGBCNQUTHKBGTK-MWLCHTKSSA-N 0 0 195.306 2.339 10 0 AEAERN C[C@H]1C[C@@H]1C(=O)NCCC1CCCC1 641954614 347587697 /nfs/dbraw/zinc/58/76/97/347587697.db2.gz RGBCNQUTHKBGTK-ONGXEEELSA-N 0 0 195.306 2.339 10 0 AEAERN CC[C@@H](COc1ccc(C)nc1)OC 642116861 347589519 /nfs/dbraw/zinc/58/95/19/347589519.db2.gz XICJMEKGCWDXTC-JTQLQIEISA-N 0 0 195.262 2.194 10 0 AEAERN CC[C@H](COc1ccc(C)nc1)OC 642116862 347589606 /nfs/dbraw/zinc/58/96/06/347589606.db2.gz XICJMEKGCWDXTC-SNVBAGLBSA-N 0 0 195.262 2.194 10 0 AEAERN O=C(CC1CC1)NCC1CCCCC1 642122821 347589608 /nfs/dbraw/zinc/58/96/08/347589608.db2.gz QUVQSHXKFOBNFM-UHFFFAOYSA-N 0 0 195.306 2.483 10 0 AEAERN O=C(CC1CC1)NCCC1CCCC1 642138366 347589760 /nfs/dbraw/zinc/58/97/60/347589760.db2.gz SSJQRLUQYCREIQ-UHFFFAOYSA-N 0 0 195.306 2.483 10 0 AEAERN COC1(COc2ccncc2)CCC1 642268472 347592158 /nfs/dbraw/zinc/59/21/58/347592158.db2.gz XTHFHTJYVBSOEF-UHFFFAOYSA-N 0 0 193.246 2.030 10 0 AEAERN CCCC(=O)Nc1ccnn1CCC 642269496 347592563 /nfs/dbraw/zinc/59/25/63/347592563.db2.gz AQFGMAINLXDOJE-UHFFFAOYSA-N 0 0 195.266 2.032 10 0 AEAERN CCCCOc1cnc(SC)nc1 642297027 347592632 /nfs/dbraw/zinc/59/26/32/347592632.db2.gz DVPDBUJHRZEYOK-UHFFFAOYSA-N 0 0 198.291 2.377 10 0 AEAERN FCCCCCn1cnc(C2CC2)n1 642332365 347593267 /nfs/dbraw/zinc/59/32/67/347593267.db2.gz HKUXKHSDZJHXOA-UHFFFAOYSA-N 0 0 197.257 2.295 10 0 AEAERN CC(C)(C)c1ncn(CCCCF)n1 642337437 347593917 /nfs/dbraw/zinc/59/39/17/347593917.db2.gz BSCHYPOJANQHAS-UHFFFAOYSA-N 0 0 199.273 2.325 10 0 AEAERN c1cnn(OCCCC2CCCC2)c1 642365255 347594024 /nfs/dbraw/zinc/59/40/24/347594024.db2.gz AUTIEMQCHASJNC-UHFFFAOYSA-N 0 0 194.278 2.282 10 0 AEAERN COCCOc1ccccc1SC 642428606 347594558 /nfs/dbraw/zinc/59/45/58/347594558.db2.gz GCYLNIBEPQTBFB-UHFFFAOYSA-N 0 0 198.287 2.434 10 0 AEAERN c1coc(-c2nccs2)c1 141689 351270963 /nfs/dbraw/zinc/27/09/63/351270963.db2.gz ZVIGBJZXNPTZSQ-UHFFFAOYSA-N 0 0 151.190 2.403 10 0 AEAERN CC(C)CNC(=O)Oc1ccccc1 161006 351272552 /nfs/dbraw/zinc/27/25/52/351272552.db2.gz CNXARQANCNIFGN-UHFFFAOYSA-N 0 0 193.246 2.431 10 0 AEAERN Oc1cccnc1Cc1ccccc1 212958 351273796 /nfs/dbraw/zinc/27/37/96/351273796.db2.gz HCYPLVRCMKMBOZ-UHFFFAOYSA-N 0 0 185.226 2.378 10 0 AEAERN Cc1cc(=O)c2c(Cl)cccc2[nH]1 390337 351277523 /nfs/dbraw/zinc/27/75/23/351277523.db2.gz QXGBWMCYWUKDKZ-UHFFFAOYSA-N 0 0 193.633 2.490 10 0 AEAERN CCc1c(OC)cc(OC)cc1OC 394570 351278512 /nfs/dbraw/zinc/27/85/12/351278512.db2.gz HXQYBITZEZXDJD-UHFFFAOYSA-N 0 0 196.246 2.275 10 0 AEAERN OCSc1nc2ccccc2s1 576913 351282115 /nfs/dbraw/zinc/28/21/15/351282115.db2.gz XXAJVSYCSGAYCG-UHFFFAOYSA-N 0 0 197.284 2.338 10 0 AEAERN c1coc(CNCc2ccoc2)c1 810254 351282613 /nfs/dbraw/zinc/28/26/13/351282613.db2.gz BUPXXWPLNUWCOS-UHFFFAOYSA-N 0 0 177.203 2.162 10 0 AEAERN C[C@@H]1C2CCC(CO)(CC2)[C@@H]1C 1041054 351283243 /nfs/dbraw/zinc/28/32/43/351283243.db2.gz SUTZCKXJNGAYJD-IZUQBHJASA-N 0 0 168.280 2.441 10 0 AEAERN C[C@@H]1C=Cc2cc(O)ccc2O1 1453794 351284915 /nfs/dbraw/zinc/28/49/15/351284915.db2.gz ZAIHOORJPSOICJ-SSDOTTSWSA-N 0 0 162.188 2.186 10 0 AEAERN c1ccc2[nH]c(-n3cccc3)nc2c1 1519942 351286183 /nfs/dbraw/zinc/28/61/83/351286183.db2.gz FZAHNDTZRBECDN-UHFFFAOYSA-N 0 0 183.214 2.354 10 0 AEAERN O=Cc1ccc2ccocc1-2 1651272 351291511 /nfs/dbraw/zinc/29/15/11/351291511.db2.gz VRMFZTBAWYVGGB-UHFFFAOYSA-N 0 0 146.145 2.197 10 0 biogenic AEAERN CC(C)C(=O)c1ccccc1O 1681185 351294296 /nfs/dbraw/zinc/29/42/96/351294296.db2.gz HWXWRZYNNFRZGY-UHFFFAOYSA-N 0 0 164.204 2.231 10 0 AEAERN c1ccc([C@@H]2NCCCS2)cc1 1693133 351294744 /nfs/dbraw/zinc/29/47/44/351294744.db2.gz DCEHAYVTEPURRJ-SNVBAGLBSA-N 0 0 179.288 2.412 10 0 AEAERN C[C@@H]1C[C@@H]2[C@H](C[C@H]1O)C2(C)C 1728648 351298558 /nfs/dbraw/zinc/29/85/58/351298558.db2.gz WHXOMZVLSNHION-LURQLKTLSA-N 0 0 154.253 2.049 10 0 AEAERN CCOP1OCC(C)(C)CO1 2004528 351301432 /nfs/dbraw/zinc/30/14/32/351301432.db2.gz CNAJZRQKQRDTJQ-UHFFFAOYSA-N 0 0 178.168 2.323 10 0 AEAERN OCCCCCCCCF 2040630 351303095 /nfs/dbraw/zinc/30/30/95/351303095.db2.gz DGGXBEHZGMUMOU-UHFFFAOYSA-N 0 0 148.221 2.289 10 0 AEAERN c1ccc([C@H]2NCCCS2)cc1 2043726 351303102 /nfs/dbraw/zinc/30/31/02/351303102.db2.gz DCEHAYVTEPURRJ-JTQLQIEISA-N 0 0 179.288 2.412 10 0 AEAERN CC(C)COP(C)(C)=O 2381455 351306426 /nfs/dbraw/zinc/30/64/26/351306426.db2.gz XAZJFCQCYNQNBH-UHFFFAOYSA-N 0 0 150.158 2.197 10 0 AEAERN C[C@@H]1NC(=S)O[C@@H]1c1ccccc1 2510158 351308316 /nfs/dbraw/zinc/30/83/16/351308316.db2.gz KQSZLXCAZDPTNY-CBAPKCEASA-N 0 0 193.271 2.021 10 0 AEAERN O=Cc1ccc2ccccc2c1C=O 2558213 351310969 /nfs/dbraw/zinc/31/09/69/351310969.db2.gz WMPJPAMWRAOQSU-UHFFFAOYSA-N 0 0 184.194 2.465 10 0 AEAERN CC(C)CCF 2581436 351313043 /nfs/dbraw/zinc/31/30/43/351313043.db2.gz TVHQEXCGMKZBME-UHFFFAOYSA-N 0 0 90.141 2.002 10 0 AEAERN CC[C@@H](C)c1ccccc1NN 2582495 351314102 /nfs/dbraw/zinc/31/41/02/351314102.db2.gz PJXKFEHDKOSKMV-MRVPVSSYSA-N 0 0 164.252 2.486 10 0 AEAERN Cc1ccc2nc(NC=O)sc2c1 3077838 351316065 /nfs/dbraw/zinc/31/60/65/351316065.db2.gz BXECWECUZLQVKJ-UHFFFAOYSA-N 0 0 192.243 2.173 10 0 AEAERN O=c1cccc(-c2ccccc2)o1 3132140 351317049 /nfs/dbraw/zinc/31/70/49/351317049.db2.gz PJLHJVCEKHYUHV-UHFFFAOYSA-N 0 0 172.183 2.307 10 0 AEAERN c1ccc2c(N3CCCC3)ncnc2c1 3163727 351317216 /nfs/dbraw/zinc/31/72/16/351317216.db2.gz LDQNCSYYQUNMPC-UHFFFAOYSA-N 0 0 199.257 2.230 10 0 AEAERN O=Nc1c(O)ccc2ncccc12 4718266 351332484 /nfs/dbraw/zinc/33/24/84/351332484.db2.gz ULDFPQKCKOFNOF-UHFFFAOYSA-N 0 0 174.159 2.338 10 0 AEAERN C[C@@H]1C[C@@H]2[C@H](C[C@@H]1O)C2(C)C 5103240 351337252 /nfs/dbraw/zinc/33/72/52/351337252.db2.gz WHXOMZVLSNHION-HXFLIBJXSA-N 0 0 154.253 2.049 10 0 AEAERN Nc1ccc(N)c(Cl)c1Cl 5117072 351338363 /nfs/dbraw/zinc/33/83/63/351338363.db2.gz CWWTUQATBGTZFD-UHFFFAOYSA-N 0 0 177.034 2.158 10 0 AEAERN CCc1ccccc1-n1ccnc1 5115173 351338412 /nfs/dbraw/zinc/33/84/12/351338412.db2.gz MQZSSWAZHBYHAS-UHFFFAOYSA-N 0 0 172.231 2.435 10 0 AEAERN Cc1nc2cccc(C)n2c1C 5116317 351338583 /nfs/dbraw/zinc/33/85/83/351338583.db2.gz RHZCLGNRBBHEJF-UHFFFAOYSA-N 0 0 160.220 2.260 10 0 AEAERN c1ccc(-c2cn3ncccc3n2)cc1 5117445 351338657 /nfs/dbraw/zinc/33/86/57/351338657.db2.gz CHMZHMORWBSSIU-UHFFFAOYSA-N 0 0 195.225 2.396 10 0 AEAERN Cc1cc(-c2c[nH]c(C)n2)ccn1 5116230 351338695 /nfs/dbraw/zinc/33/86/95/351338695.db2.gz SSTGUMRXNJFHIY-UHFFFAOYSA-N 0 0 173.219 2.089 10 0 AEAERN ONc1ccnc2ccccc12 5162797 351339958 /nfs/dbraw/zinc/33/99/58/351339958.db2.gz UPENJLLEQPCGBD-UHFFFAOYSA-N 0 0 160.176 2.036 10 0 AEAERN CCOc1cccc2nccnc12 5336719 351341308 /nfs/dbraw/zinc/34/13/08/351341308.db2.gz NDNKKBAVXKBWEZ-UHFFFAOYSA-N 0 0 174.203 2.029 10 0 AEAERN CC(C)=CCn1nnc2ccccc21 5283307 351341255 /nfs/dbraw/zinc/34/12/55/351341255.db2.gz CNUFQYRALVWQIO-UHFFFAOYSA-N 0 0 187.246 2.398 10 0 AEAERN c1ccc(Cc2cc[nH]n2)cc1 5286344 351341841 /nfs/dbraw/zinc/34/18/41/351341841.db2.gz KTFGWHSLIOZEKH-UHFFFAOYSA-N 0 0 158.204 2.001 10 0 AEAERN CC[C@@](C)(O)c1nc2ccccc2[nH]1 5386421 351343344 /nfs/dbraw/zinc/34/33/44/351343344.db2.gz CBPQXTXPILTUNH-LLVKDONJSA-N 0 0 190.246 2.180 10 0 AEAERN S=C1CCNc2ccccc2N1 5395207 351343351 /nfs/dbraw/zinc/34/33/51/351343351.db2.gz YKXXOQJFNJYQGD-UHFFFAOYSA-N 0 0 178.260 2.242 10 0 AEAERN Cc1cccn2c(N=O)cnc12 5386222 351343542 /nfs/dbraw/zinc/34/35/42/351343542.db2.gz PIIXTRVJOQPPPF-UHFFFAOYSA-N 0 0 161.164 2.041 10 0 AEAERN CC[C@](C)(O)c1nc2ccccc2[nH]1 5386369 351343742 /nfs/dbraw/zinc/34/37/42/351343742.db2.gz CBPQXTXPILTUNH-NSHDSACASA-N 0 0 190.246 2.180 10 0 AEAERN OC[C@@H](c1ccccc1)n1cccc1 5489262 351344369 /nfs/dbraw/zinc/34/43/69/351344369.db2.gz HNHGTZLBKUVDPS-LBPRGKRZSA-N 0 0 187.242 2.070 10 0 AEAERN OCc1nc2c(ccc3ccccc32)[nH]1 5479684 351344673 /nfs/dbraw/zinc/34/46/73/351344673.db2.gz CRWQKDHYIRALAA-UHFFFAOYSA-N 0 0 198.225 2.208 10 0 AEAERN Oc1cccc2c1SCCC2 6093829 351349953 /nfs/dbraw/zinc/34/99/53/351349953.db2.gz RGGVNXXEMZOMQS-UHFFFAOYSA-N 0 0 166.245 2.431 10 0 AEAERN O=c1cc(O)cc(-c2ccccc2)o1 6582531 351352091 /nfs/dbraw/zinc/35/20/91/351352091.db2.gz UWCSWBPHENSQNW-UHFFFAOYSA-N 0 0 188.182 2.012 10 0 AEAERN C[C@@H]1C=C[C@H](C)C1 8100942 351354759 /nfs/dbraw/zinc/35/47/59/351354759.db2.gz PUPAPFTXLYVYPX-KNVOCYPGSA-N 0 0 96.173 2.219 10 0 AEAERN C[C@@H]1CC[C@]2(C)CCC(=O)C[C@@H]2C1=O 8241189 351355095 /nfs/dbraw/zinc/35/50/95/351355095.db2.gz ZQBUPHBFCZDUAH-HLUHBDAQSA-N 0 0 194.274 2.361 10 0 AEAERN C[C@@H]1CC[C@@]2(C)CCC(=O)C[C@@H]2C1=O 8241213 351355122 /nfs/dbraw/zinc/35/51/22/351355122.db2.gz ZQBUPHBFCZDUAH-UISBYWKRSA-N 0 0 194.274 2.361 10 0 AEAERN C[C@@H]1C=C[C@@H](C)C1 8100943 351355256 /nfs/dbraw/zinc/35/52/56/351355256.db2.gz PUPAPFTXLYVYPX-RNFRBKRXSA-N 0 0 96.173 2.219 10 0 AEAERN OCC[C@@H]1CCc2cc(F)ccc21 8699858 351357554 /nfs/dbraw/zinc/35/75/54/351357554.db2.gz DYDZLIAITOPEQO-QMMMGPOBSA-N 0 0 180.222 2.238 10 0 AEAERN O[C@H]1CC/C=C/CC/C=C/CC[C@@H]1O 11549380 351359529 /nfs/dbraw/zinc/35/95/29/351359529.db2.gz BHYILZSOXKSYCF-GHOIKLOJSA-N 0 0 196.290 2.175 10 0 AEAERN CCOc1ccccc1CC(C)=O 11803487 351361199 /nfs/dbraw/zinc/36/11/99/351361199.db2.gz SZUQDBHGFMNIRL-UHFFFAOYSA-N 0 0 178.231 2.217 10 0 in-vitro AEAERN C[C@@H]1CNc2ccc(F)cc2C1 11987296 351363007 /nfs/dbraw/zinc/36/30/07/351363007.db2.gz GJXCOGKUTDSRAG-ZETCQYMHSA-N 0 0 165.211 2.430 10 0 AEAERN O=Cc1ccc(-c2ccco2)cn1 12370512 351363981 /nfs/dbraw/zinc/36/39/81/351363981.db2.gz GUIKMKZMLLANPU-UHFFFAOYSA-N 0 0 173.171 2.154 10 0 in-vitro AEAERN O[C@@H](Cc1ccccc1)c1ccccn1 13208208 351367378 /nfs/dbraw/zinc/36/73/78/351367378.db2.gz RVBFYRMJDSUZDE-ZDUSSCGKSA-N 0 0 199.253 2.358 10 0 AEAERN CCOCc1nc2ccccc2[nH]1 13284825 351367539 /nfs/dbraw/zinc/36/75/39/351367539.db2.gz VVJGFXIWZSDXFT-UHFFFAOYSA-N 0 0 176.219 2.099 10 0 AEAERN O[C@H](Cc1ccccc1)c1ccccn1 13208210 351367647 /nfs/dbraw/zinc/36/76/47/351367647.db2.gz RVBFYRMJDSUZDE-CYBMUJFWSA-N 0 0 199.253 2.358 10 0 AEAERN c1ccc2c(c1)nc1n2CSC1 13220096 351367650 /nfs/dbraw/zinc/36/76/50/351367650.db2.gz CEZGFQCGXLQKCP-UHFFFAOYSA-N 0 0 176.244 2.241 10 0 AEAERN Cc1cc(O)c(Cl)c(O)c1 13386350 351368806 /nfs/dbraw/zinc/36/88/06/351368806.db2.gz HLQYXRVJOUOMFF-UHFFFAOYSA-N 0 0 158.584 2.060 10 0 AEAERN c1ccc2oc(-c3cn[nH]n3)cc2c1 13671897 351370894 /nfs/dbraw/zinc/37/08/94/351370894.db2.gz DCERZYFATQLVJN-UHFFFAOYSA-N 0 0 185.186 2.218 10 0 AEAERN Cc1ccc(Cc2c[nH]cn2)s1 13862244 351372773 /nfs/dbraw/zinc/37/27/73/351372773.db2.gz JCARYCUMMMDMAM-UHFFFAOYSA-N 0 0 178.260 2.370 10 0 AEAERN CC(C)c1ccc(CO)cc1O 14485555 351373596 /nfs/dbraw/zinc/37/35/96/351373596.db2.gz UNNQYEJIPIBHFS-UHFFFAOYSA-N 0 0 166.220 2.008 10 0 AEAERN Cc1cc2oc(C)cc(O)c-2c(=O)c1 14447814 351374068 /nfs/dbraw/zinc/37/40/68/351374068.db2.gz CQQPWPMDQBZIRH-UHFFFAOYSA-N 0 0 190.198 2.115 10 0 AEAERN c1cc2cc(C3OCCO3)ccc2[nH]1 14517072 351374084 /nfs/dbraw/zinc/37/40/84/351374084.db2.gz IXPJKQGCFPJDEA-UHFFFAOYSA-N 0 0 189.214 2.213 10 0 AEAERN CC[C@@H](C)c1cc(O)c(C)c(=O)o1 14653180 351375100 /nfs/dbraw/zinc/37/51/00/351375100.db2.gz QKYRDLBTCVVFJE-ZCFIWIBFSA-N 0 0 182.219 2.167 10 0 AEAERN CC(=O)OC(C)(C)c1ccccc1 14652172 351374629 /nfs/dbraw/zinc/37/46/29/351374629.db2.gz XPMMKIYJJWQFOR-UHFFFAOYSA-N 0 0 178.231 2.485 10 0 AEAERN Cc1ccc2c(CO)coc2c1 14590498 351374748 /nfs/dbraw/zinc/37/47/48/351374748.db2.gz QQCVJPOOVIUDTI-UHFFFAOYSA-N 0 0 162.188 2.234 10 0 AEAERN CC[C@H](C)c1cc(O)c(C)c(=O)o1 14653183 351375560 /nfs/dbraw/zinc/37/55/60/351375560.db2.gz QKYRDLBTCVVFJE-LURJTMIESA-N 0 0 182.219 2.167 10 0 AEAERN O=Cc1n[nH]c2cc(F)cc(Cl)c12 14983315 351375706 /nfs/dbraw/zinc/37/57/06/351375706.db2.gz SSCGILIPWBCSMP-UHFFFAOYSA-N 0 0 198.584 2.168 10 0 AEAERN O=Cc1n[nH]c2cc(Cl)cc(F)c12 14983322 351375923 /nfs/dbraw/zinc/37/59/23/351375923.db2.gz RQIDNCRNDNCUBU-UHFFFAOYSA-N 0 0 198.584 2.168 10 0 AEAERN c1cc2cc3cc[nH]c3nc2[nH]1 14986304 351376716 /nfs/dbraw/zinc/37/67/16/351376716.db2.gz QJPFMKGKFINTDT-UHFFFAOYSA-N 0 0 157.176 2.044 10 0 in-vitro AEAERN O=c1[nH][nH]c2cc(Cl)cc(F)c12 14984006 351377095 /nfs/dbraw/zinc/37/70/95/351377095.db2.gz DUKOQNKFZIJSFQ-UHFFFAOYSA-N 0 0 186.573 2.061 10 0 AEAERN O=c1[nH][nH]c2cc(F)cc(Cl)c12 14984782 351377142 /nfs/dbraw/zinc/37/71/42/351377142.db2.gz DGQSEEGONCXLRQ-UHFFFAOYSA-N 0 0 186.573 2.061 10 0 AEAERN CC1(C)[C@H]2Cc3cc(N)[nH+]cc3[C@@H]1C2 15043120 351377618 /nfs/dbraw/zinc/37/76/18/351377618.db2.gz DSKNEBHLQADPLT-WPRPVWTQSA-N 0 0 188.274 2.350 10 0 AEAERN Cc1cc(=O)c2c(C)cccc2o1 15119490 351377800 /nfs/dbraw/zinc/37/78/00/351377800.db2.gz CKFLDQLVMFGMHC-UHFFFAOYSA-N 0 0 174.199 2.410 10 0 AEAERN O[C@H]1CCC[C@@H]1c1cccc(F)c1 15440768 351377818 /nfs/dbraw/zinc/37/78/18/351377818.db2.gz ARVGKJBSGIRSTQ-MNOVXSKESA-N 0 0 180.222 2.454 10 0 AEAERN CC(=S)Oc1ccccc1 15204650 351377996 /nfs/dbraw/zinc/37/79/96/351377996.db2.gz CARWLUDBSNWZKZ-UHFFFAOYSA-N 0 0 152.218 2.413 10 0 AEAERN O[C@H]1CCC[C@H]1c1cccc(F)c1 15440772 351378174 /nfs/dbraw/zinc/37/81/74/351378174.db2.gz ARVGKJBSGIRSTQ-QWRGUYRKSA-N 0 0 180.222 2.454 10 0 AEAERN CC[C@@H](C)C[C@H](C)CO 15119987 351378222 /nfs/dbraw/zinc/37/82/22/351378222.db2.gz GDRBQWCGBCJTLB-SFYZADRCSA-N 0 0 130.231 2.051 10 0 endogenous,in-man AEAERN O=Cc1cc(-c2ccco2)ccc1O 16946793 351381766 /nfs/dbraw/zinc/38/17/66/351381766.db2.gz QAXAZHMDYGPAII-UHFFFAOYSA-N 0 0 188.182 2.465 10 0 AEAERN C[C@@H]1C=Cc2cccn2C1 18555478 351385701 /nfs/dbraw/zinc/38/57/01/351385701.db2.gz RTISMAKCFQPJPH-MRVPVSSYSA-N 0 0 133.194 2.151 10 0 AEAERN OC/C=C/C1CCCCC1 21297440 351407142 /nfs/dbraw/zinc/40/71/42/351407142.db2.gz VKSIYNNFGTVYJU-QPJJXVBHSA-N 0 0 140.226 2.115 10 0 AEAERN c1onc2c1CCCCCC2 21353875 351407667 /nfs/dbraw/zinc/40/76/67/351407667.db2.gz DZZVMFFUSYYYCS-UHFFFAOYSA-N 0 0 151.209 2.334 10 0 AEAERN C[C@@H]1OCOc2ccccc21 20972984 351407685 /nfs/dbraw/zinc/40/76/85/351407685.db2.gz JRTFQWVQYMECIP-ZETCQYMHSA-N 0 0 150.177 2.114 10 0 AEAERN c1ccc(-n2ncc3ccncc32)cc1 21988176 351410228 /nfs/dbraw/zinc/41/02/28/351410228.db2.gz QMCAPHYCYVXRBK-UHFFFAOYSA-N 0 0 195.225 2.421 10 0 AEAERN c1ccc(CNc2cnoc2)cc1 22000936 351410863 /nfs/dbraw/zinc/41/08/63/351410863.db2.gz WPDBLRIZJWJLSO-UHFFFAOYSA-N 0 0 174.203 2.287 10 0 AEAERN O=Cc1ccc(-c2ccccn2)o1 22201126 351413158 /nfs/dbraw/zinc/41/31/58/351413158.db2.gz HLDMAEIJMSFGMM-UHFFFAOYSA-N 0 0 173.171 2.154 10 0 AEAERN c1ccc2sc([C@H]3CO3)nc2c1 22171510 351413222 /nfs/dbraw/zinc/41/32/22/351413222.db2.gz FKYYUYYYBBNMCJ-SSDOTTSWSA-N 0 0 177.228 2.368 10 0 AEAERN c1ccc2sc([C@@H]3CO3)nc2c1 22171508 351413897 /nfs/dbraw/zinc/41/38/97/351413897.db2.gz FKYYUYYYBBNMCJ-ZETCQYMHSA-N 0 0 177.228 2.368 10 0 AEAERN CCSc1nc2cc[nH]cc-2n1 26439590 351418154 /nfs/dbraw/zinc/41/81/54/351418154.db2.gz HLZPVLPISSZJSY-UHFFFAOYSA-N 0 0 179.248 2.070 10 0 AEAERN C[C@@H]1CCc2ncccc21 25920481 351418392 /nfs/dbraw/zinc/41/83/92/351418392.db2.gz NYYIPACQAZRSHZ-SSDOTTSWSA-N 0 0 133.194 2.131 10 0 AEAERN c1ccc2c3c([nH]c2c1)CCOC3 26440261 351418396 /nfs/dbraw/zinc/41/83/96/351418396.db2.gz BUQKZKMCGKVWEV-UHFFFAOYSA-N 0 0 173.215 2.241 10 0 AEAERN c1ccc(CSc2c[nH]nn2)cc1 26022269 351418480 /nfs/dbraw/zinc/41/84/80/351418480.db2.gz AACACTZERFCGJT-UHFFFAOYSA-N 0 0 191.259 2.097 10 0 AEAERN S=C1N=NC(c2ccsc2)O1 26516150 351419047 /nfs/dbraw/zinc/41/90/47/351419047.db2.gz KKLTWWUNYPSOTA-UHFFFAOYSA-N 0 0 184.245 2.087 10 0 AEAERN CCOc1nc(Cl)c(C=O)s1 26506305 351419124 /nfs/dbraw/zinc/41/91/24/351419124.db2.gz ACDIUMHVSAXEDG-UHFFFAOYSA-N 0 0 191.639 2.008 10 0 AEAERN CC(C)CNc1ccc(N)cc1F 26516082 351419360 /nfs/dbraw/zinc/41/93/60/351419360.db2.gz BJSHQKKKVZFGFH-UHFFFAOYSA-N 0 0 182.242 2.476 10 0 AEAERN C[C@@H]1CNc2cc(N)ccc2S1 26509613 351419736 /nfs/dbraw/zinc/41/97/36/351419736.db2.gz PDUSJDAJBQTMCW-ZCFIWIBFSA-N 0 0 180.276 2.175 10 0 AEAERN CC(C)CNc1ccc(F)cc1N 26516084 351419749 /nfs/dbraw/zinc/41/97/49/351419749.db2.gz AFTGHDCIQSNTQH-UHFFFAOYSA-N 0 0 182.242 2.476 10 0 AEAERN S=C1N=NC(C2CCCC2)O1 26515756 351419863 /nfs/dbraw/zinc/41/98/63/351419863.db2.gz BPKYNPCBDKZEBJ-UHFFFAOYSA-N 0 0 170.237 2.016 10 0 AEAERN Oc1ccc(-c2ccc[nH]2)cc1 26898043 351420599 /nfs/dbraw/zinc/42/05/99/351420599.db2.gz KPLRPCFAWYYZHG-UHFFFAOYSA-N 0 0 159.188 2.387 10 0 AEAERN c1ccc(Nn2cccc2)cc1 28761419 351421933 /nfs/dbraw/zinc/42/19/33/351421933.db2.gz GZCDKNZPUSFDIZ-UHFFFAOYSA-N 0 0 158.204 2.363 10 0 AEAERN OCc1cc2ccsc2s1 29481949 351422594 /nfs/dbraw/zinc/42/25/94/351422594.db2.gz QEIHQVOSYBNVCL-UHFFFAOYSA-N 0 0 170.258 2.455 10 0 AEAERN CCOc1ccc2c(c1)[C@@H](O)CCC2 31889084 351423402 /nfs/dbraw/zinc/42/34/02/351423402.db2.gz QEFSHOZJLUKDAY-LBPRGKRZSA-N 0 0 192.258 2.455 10 0 AEAERN C[C@@H](c1cccc(N)c1)n1ccnc1 31992538 351424375 /nfs/dbraw/zinc/42/43/75/351424375.db2.gz YWUJIYFQRMFZHA-VIFPVBQESA-N 0 0 187.246 2.075 10 0 AEAERN C[C@@H](c1ccc(N)cc1)n1ccnc1 31992534 351424406 /nfs/dbraw/zinc/42/44/06/351424406.db2.gz JZLTWGKFVJMPJU-VIFPVBQESA-N 0 0 187.246 2.075 10 0 AEAERN CC(C)(O)CNc1ccccc1F 32007678 351425395 /nfs/dbraw/zinc/42/53/95/351425395.db2.gz ZHWLIPMRSABZHJ-UHFFFAOYSA-N 0 0 183.226 2.009 10 0 AEAERN O[C@@H](Cc1cccc(F)c1)C1CC1 32007429 351425499 /nfs/dbraw/zinc/42/54/99/351425499.db2.gz BYDSAVCOSMBDAJ-NSHDSACASA-N 0 0 180.222 2.139 10 0 AEAERN CC(C)(O)CNc1cccc(F)c1 32007681 351425629 /nfs/dbraw/zinc/42/56/29/351425629.db2.gz YXFMFYSZEZARIH-UHFFFAOYSA-N 0 0 183.226 2.009 10 0 AEAERN O[C@H](Cc1cccc(F)c1)C1CC1 32007431 351425885 /nfs/dbraw/zinc/42/58/85/351425885.db2.gz BYDSAVCOSMBDAJ-LLVKDONJSA-N 0 0 180.222 2.139 10 0 AEAERN OC1(c2ccco2)CCCC1 32172605 351426915 /nfs/dbraw/zinc/42/69/15/351426915.db2.gz CQOQDKHCHKUAOH-UHFFFAOYSA-N 0 0 152.193 2.041 10 0 AEAERN CC[C@@H](C)c1cnc(OC)c(C)n1 32166297 351426954 /nfs/dbraw/zinc/42/69/54/351426954.db2.gz HOTAYRCCYDCXSK-SSDOTTSWSA-N 0 0 180.251 2.307 10 0 AEAERN c1ccc(Cc2ccnnc2)cc1 32209283 351427315 /nfs/dbraw/zinc/42/73/15/351427315.db2.gz DQWIPVDHLUQZBV-UHFFFAOYSA-N 0 0 170.215 2.067 10 0 AEAERN c1ccn2c3c(nc2c1)CCCC3 32188598 351427548 /nfs/dbraw/zinc/42/75/48/351427548.db2.gz BOYPNNWUTZLBJP-UHFFFAOYSA-N 0 0 172.231 2.213 10 0 AEAERN C[C@@H](c1cccc(N)c1)n1cccn1 33426850 351429820 /nfs/dbraw/zinc/42/98/20/351429820.db2.gz RFMSAIXMCZPZSS-VIFPVBQESA-N 0 0 187.246 2.075 10 0 AEAERN CCSc1ccc(C(N)=S)cc1 33488665 351431358 /nfs/dbraw/zinc/43/13/58/351431358.db2.gz UGFBJBUDJBWWEB-UHFFFAOYSA-N 0 0 197.328 2.433 10 0 AEAERN CC(C)(O)/C=C\c1ccccc1O 33845401 351432624 /nfs/dbraw/zinc/43/26/24/351432624.db2.gz CDSUBTCQAOYVRG-FPLPWBNLSA-N 0 0 178.231 2.176 10 0 AEAERN C[C@@H]1Nc2cc(Cl)ccc2NC1=O 33961694 351433778 /nfs/dbraw/zinc/43/37/78/351433778.db2.gz PWSMFPODKQXVKB-YFKPBYRVSA-N 0 0 196.637 2.093 10 0 AEAERN c1ccc(Cc2cc3nccn3[nH]2)cc1 33898426 351433853 /nfs/dbraw/zinc/43/38/53/351433853.db2.gz YJNHNWACQPQCAX-UHFFFAOYSA-N 0 0 197.241 2.253 10 0 AEAERN O=c1ccc(-c2cccc(F)c2)c[nH]1 34115895 351434699 /nfs/dbraw/zinc/43/46/99/351434699.db2.gz KGNYRTOVOYFAEY-UHFFFAOYSA-N 0 0 189.189 2.181 10 0 AEAERN c1ccc(Oc2c[nH]cn2)cc1 34087578 351434958 /nfs/dbraw/zinc/43/49/58/351434958.db2.gz PCRODLZZZPRWHB-UHFFFAOYSA-N 0 0 160.176 2.202 10 0 AEAERN C[C@@H]1CC(=O)c2ccc(F)cc2O1 34168397 351435899 /nfs/dbraw/zinc/43/58/99/351435899.db2.gz DUBKJFDZBVCBMM-ZCFIWIBFSA-N 0 0 180.178 2.179 10 0 AEAERN c1csc(-c2cncs2)n1 34133197 351435637 /nfs/dbraw/zinc/43/56/37/351435637.db2.gz RCRCBRYGLVPFHP-UHFFFAOYSA-N 0 0 168.246 2.267 10 0 AEAERN C[C@@H]1Sc2ccc(F)cc2NC1=O 34124597 351435973 /nfs/dbraw/zinc/43/59/73/351435973.db2.gz FSNGHQPZKUVKKR-YFKPBYRVSA-N 0 0 197.234 2.258 10 0 AEAERN O=Cc1cn2c(ccc3ccccc32)n1 34152072 351436037 /nfs/dbraw/zinc/43/60/37/351436037.db2.gz BMECITFWYLFLGT-UHFFFAOYSA-N 0 0 196.209 2.300 10 0 AEAERN c1cc(-c2ccsc2)no1 34192727 351437158 /nfs/dbraw/zinc/43/71/58/351437158.db2.gz HGHJAIOXNDMCTC-UHFFFAOYSA-N 0 0 151.190 2.403 10 0 AEAERN c1ccc2oc(-n3cccn3)nc2c1 34286520 351437856 /nfs/dbraw/zinc/43/78/56/351437856.db2.gz DEDFZSHFWNXTHZ-UHFFFAOYSA-N 0 0 185.186 2.014 10 0 AEAERN S=c1nc2ccccc2c[nH]1 34286226 351437943 /nfs/dbraw/zinc/43/79/43/351437943.db2.gz MHBPJMUAIOKJNL-UHFFFAOYSA-N 0 0 162.217 2.292 10 0 AEAERN c1ccc2c(c1)NSN2 34327627 351438804 /nfs/dbraw/zinc/43/88/04/351438804.db2.gz MQTYLLBYHMUFRG-UHFFFAOYSA-N 0 0 138.195 2.087 10 0 AEAERN c1ccc(COCn2ccnc2)cc1 34368332 351439119 /nfs/dbraw/zinc/43/91/19/351439119.db2.gz HPMFKOBTJATLDZ-UHFFFAOYSA-N 0 0 188.230 2.057 10 0 AEAERN c1ccc(-c2ccn3ccnc3n2)cc1 34413090 351439636 /nfs/dbraw/zinc/43/96/36/351439636.db2.gz KQYBPMIOQQEIEM-UHFFFAOYSA-N 0 0 195.225 2.396 10 0 AEAERN OC/C=C/c1cc2ccccc2[nH]1 34451524 351440448 /nfs/dbraw/zinc/44/04/48/351440448.db2.gz BSAWRSFFOYTJFU-HWKANZROSA-N 0 0 173.215 2.173 10 0 AEAERN FCCOc1c(F)cccc1F 34450144 351440900 /nfs/dbraw/zinc/44/09/00/351440900.db2.gz CKZSEHFBZMUMTH-UHFFFAOYSA-N 0 0 176.137 2.313 10 0 AEAERN C=C/C=C/CCC(C)=O 34454777 351440963 /nfs/dbraw/zinc/44/09/63/351440963.db2.gz BZHCEFYOACGBGI-SNAWJCMRSA-N 0 0 124.183 2.098 10 0 AEAERN c1ccc(CNn2cccc2)cc1 34476716 351441428 /nfs/dbraw/zinc/44/14/28/351441428.db2.gz TVCGYHPEIHIBLC-UHFFFAOYSA-N 0 0 172.231 2.232 10 0 AEAERN S=c1[nH]oc2ccccc12 34465123 351441696 /nfs/dbraw/zinc/44/16/96/351441696.db2.gz VZDBJMCLRLLCTG-UHFFFAOYSA-N 0 0 151.190 2.117 10 0 AEAERN CCSc1nsnc1Cl 34500057 351441733 /nfs/dbraw/zinc/44/17/33/351441733.db2.gz LXLKYYUEMFRXSF-UHFFFAOYSA-N 0 0 180.685 2.304 10 0 AEAERN CC(=O)OC/C=C/c1cccs1 34455095 351441846 /nfs/dbraw/zinc/44/18/46/351441846.db2.gz ZRDSOYZBCTVJDG-DUXPYHPUSA-N 0 0 182.244 2.324 10 0 AEAERN O=Cc1c(O)ccc2c1CCCC2 34534125 351442457 /nfs/dbraw/zinc/44/24/57/351442457.db2.gz YYWTTXQJHPXJIE-UHFFFAOYSA-N 0 0 176.215 2.084 10 0 AEAERN O[C@@H]1CCCC[C@H]1Nc1ccccc1 34534502 351442714 /nfs/dbraw/zinc/44/27/14/351442714.db2.gz ABSZYEUMTNJQPI-VXGBXAGGSA-N 0 0 191.274 2.402 10 0 AEAERN CC1=NC(C)(C)N(O)C(C)(C)C1 34577031 351443051 /nfs/dbraw/zinc/44/30/51/351443051.db2.gz JRGCKMZUGOWOJJ-UHFFFAOYSA-N 0 0 170.256 2.057 10 0 AEAERN O[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 34589946 351443146 /nfs/dbraw/zinc/44/31/46/351443146.db2.gz GUROQCYOSNMGON-MNOVXSKESA-N 0 0 196.221 2.038 10 0 AEAERN c1ccc(-c2cncs2)nc1 34578989 351443203 /nfs/dbraw/zinc/44/32/03/351443203.db2.gz RGXHFNJJWXTYFT-UHFFFAOYSA-N 0 0 162.217 2.205 10 0 AEAERN O[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 34589952 351443594 /nfs/dbraw/zinc/44/35/94/351443594.db2.gz GUROQCYOSNMGON-WDEREUQCSA-N 0 0 196.221 2.038 10 0 AEAERN O[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 34589948 351443603 /nfs/dbraw/zinc/44/36/03/351443603.db2.gz GUROQCYOSNMGON-GHMZBOCLSA-N 0 0 196.221 2.038 10 0 AEAERN O[C@H]1CCO[C@H](c2ccc(F)cc2)C1 34589950 351443694 /nfs/dbraw/zinc/44/36/94/351443694.db2.gz GUROQCYOSNMGON-QWRGUYRKSA-N 0 0 196.221 2.038 10 0 AEAERN OCc1ccc2cccc-2cc1 34572571 351443701 /nfs/dbraw/zinc/44/37/01/351443701.db2.gz ZPXZOEVYONAFBG-UHFFFAOYSA-N 0 0 158.200 2.284 10 0 AEAERN OCCc1csc2ccccc12 34751654 351445641 /nfs/dbraw/zinc/44/56/41/351445641.db2.gz KROWMGNXBZCMQB-UHFFFAOYSA-N 0 0 178.256 2.436 10 0 AEAERN OCCCn1ccc2ccccc21 34843069 351445916 /nfs/dbraw/zinc/44/59/16/351445916.db2.gz BOXDPPLUKGIQLV-UHFFFAOYSA-N 0 0 175.231 2.024 10 0 AEAERN C[C@@H]1C[C@@H]1c1ccc(C(N)=S)o1 34961451 351446653 /nfs/dbraw/zinc/44/66/53/351446653.db2.gz MTKVXWCUUMMXKB-RITPCOANSA-N 0 0 181.260 2.037 10 0 AEAERN C[C@@H]1C[C@H]1c1ccc(C(N)=S)o1 34961455 351446873 /nfs/dbraw/zinc/44/68/73/351446873.db2.gz MTKVXWCUUMMXKB-PHDIDXHHSA-N 0 0 181.260 2.037 10 0 AEAERN CC(C)CCOc1cccnc1N 34957974 351447017 /nfs/dbraw/zinc/44/70/17/351447017.db2.gz UJLSMEKIVCKXKU-UHFFFAOYSA-N 0 0 180.251 2.089 10 0 AEAERN O[C@@H](c1cccnc1)C1CCCC1 34959558 351447080 /nfs/dbraw/zinc/44/70/80/351447080.db2.gz GWMURUOVOQHAKO-LLVKDONJSA-N 0 0 177.247 2.305 10 0 AEAERN O[C@H](c1cccnc1)C1CCCC1 34959560 351447124 /nfs/dbraw/zinc/44/71/24/351447124.db2.gz GWMURUOVOQHAKO-NSHDSACASA-N 0 0 177.247 2.305 10 0 AEAERN CC(C)CS[C@@H]1CCCC1=O 35183335 351447785 /nfs/dbraw/zinc/44/77/85/351447785.db2.gz DFQLUGOCUDUJKE-SECBINFHSA-N 0 0 172.293 2.497 10 0 AEAERN CCOc1ccccc1-c1ncc[nH]1 35029666 351448436 /nfs/dbraw/zinc/44/84/36/351448436.db2.gz YUCQLVYHUUKRTA-UHFFFAOYSA-N 0 0 188.230 2.475 10 0 AEAERN CC(C)CNc1nsnc1Cl 35232188 351449400 /nfs/dbraw/zinc/44/94/00/351449400.db2.gz IHWORFAOLFWLBY-UHFFFAOYSA-N 0 0 191.687 2.259 10 0 AEAERN CCOc1ccc2cc(N)ccc2n1 35343738 351450683 /nfs/dbraw/zinc/45/06/83/351450683.db2.gz BLMNJPNTDHFAID-UHFFFAOYSA-N 0 0 188.230 2.216 10 0 AEAERN C[C@@H](O)c1ccc(N2CCCC2)cc1 35631059 351451578 /nfs/dbraw/zinc/45/15/78/351451578.db2.gz RSRMHMXKTIMIMX-SNVBAGLBSA-N 0 0 191.274 2.340 10 0 AEAERN CCOc1cccc2c(C=O)c[nH]c12 35635613 351451602 /nfs/dbraw/zinc/45/16/02/351451602.db2.gz ZIMMILBNGAWIQP-UHFFFAOYSA-N 0 0 189.214 2.379 10 0 AEAERN C[C@@H](O)c1ccc(N(C)C2CC2)cc1 35631599 351451948 /nfs/dbraw/zinc/45/19/48/351451948.db2.gz OSTDEWRLCGOBSC-SECBINFHSA-N 0 0 191.274 2.339 10 0 AEAERN OCc1cccc(-c2cccs2)n1 35630142 351452120 /nfs/dbraw/zinc/45/21/20/351452120.db2.gz POLZLICHZIXIJR-UHFFFAOYSA-N 0 0 191.255 2.302 10 0 AEAERN C[C@@H](c1ccccn1)n1cccc1 35695644 351452933 /nfs/dbraw/zinc/45/29/33/351452933.db2.gz PUKGBHCHJSZRJP-JTQLQIEISA-N 0 0 172.231 2.492 10 0 AEAERN C[C@@H](c1cccnc1)n1cccc1 35692784 351452939 /nfs/dbraw/zinc/45/29/39/351452939.db2.gz LDZDOEOTUWEQFU-JTQLQIEISA-N 0 0 172.231 2.492 10 0 AEAERN C[C@@H]([C@H]1CCCO1)n1cccc1C=O 35736527 351452949 /nfs/dbraw/zinc/45/29/49/351452949.db2.gz IOYFMFCIOITCBO-GXSJLCMTSA-N 0 0 193.246 2.041 10 0 AEAERN C[C@@H]([C@H]1CCCO1)n1cc[nH]c1=S 35736261 351453103 /nfs/dbraw/zinc/45/31/03/351453103.db2.gz XZDPWWHYBFVTHR-JGVFFNPUSA-N 0 0 198.291 2.286 10 0 AEAERN C[C@@H]([C@@H]1CCCO1)n1cccc1C=O 35736525 351453223 /nfs/dbraw/zinc/45/32/23/351453223.db2.gz IOYFMFCIOITCBO-ONGXEEELSA-N 0 0 193.246 2.041 10 0 AEAERN C[C@@H]([C@H]1CCCO1)n1cccc1 35736535 351453337 /nfs/dbraw/zinc/45/33/37/351453337.db2.gz MGFRNHBFXUFMNJ-VHSXEESVSA-N 0 0 165.236 2.228 10 0 AEAERN C[C@@H](c1ccco1)n1cn[nH]c1=S 35739594 351453354 /nfs/dbraw/zinc/45/33/54/351453354.db2.gz XZXPOWBUGVKKPJ-LURJTMIESA-N 0 0 195.247 2.143 10 0 AEAERN C[C@@H]([C@@H]1CCCO1)n1cc[nH]c1=S 35736259 351453488 /nfs/dbraw/zinc/45/34/88/351453488.db2.gz XZDPWWHYBFVTHR-YUMQZZPRSA-N 0 0 198.291 2.286 10 0 AEAERN C[C@@H]([C@@H]1CCCO1)n1cccc1 35736533 351453502 /nfs/dbraw/zinc/45/35/02/351453502.db2.gz MGFRNHBFXUFMNJ-UWVGGRQHSA-N 0 0 165.236 2.228 10 0 AEAERN C[C@@H](c1ccco1)N1CCC(=O)CC1 35739372 351453581 /nfs/dbraw/zinc/45/35/81/351453581.db2.gz SUFHWECAWUXZSQ-VIFPVBQESA-N 0 0 193.246 2.006 10 0 AEAERN CC(C)C[C@H](C)Nc1cn[nH]c1 35763959 351454191 /nfs/dbraw/zinc/45/41/91/351454191.db2.gz LYQIBIZPEYYBLG-QMMMGPOBSA-N 0 0 167.256 2.256 10 0 AEAERN CC[C@@H](C)[C@H](C)Nc1cn[nH]c1 35763631 351454240 /nfs/dbraw/zinc/45/42/40/351454240.db2.gz DPQOMGCLZKETOJ-SFYZADRCSA-N 0 0 167.256 2.256 10 0 AEAERN CC(C)C[C@@H](C)Nc1cn[nH]c1 35763958 351454254 /nfs/dbraw/zinc/45/42/54/351454254.db2.gz LYQIBIZPEYYBLG-MRVPVSSYSA-N 0 0 167.256 2.256 10 0 AEAERN c1n[nH]cc1NC1CCCCC1 35763746 351454318 /nfs/dbraw/zinc/45/43/18/351454318.db2.gz AQYLNZOXRIJXJY-UHFFFAOYSA-N 0 0 165.240 2.154 10 0 AEAERN C[C@@H]1CCCC[C@H]1Nc1cn[nH]c1 35764040 351454337 /nfs/dbraw/zinc/45/43/37/351454337.db2.gz NMOVZIBRMGVNJM-PSASIEDQSA-N 0 0 179.267 2.400 10 0 AEAERN c1cc(CNc2cn[nH]c2)cs1 35764009 351454533 /nfs/dbraw/zinc/45/45/33/351454533.db2.gz NJYGCKLOZAICGQ-UHFFFAOYSA-N 0 0 179.248 2.083 10 0 AEAERN c1csc(CNc2cn[nH]c2)c1 35764019 351454644 /nfs/dbraw/zinc/45/46/44/351454644.db2.gz IMJQDUJNDSVKPO-UHFFFAOYSA-N 0 0 179.248 2.083 10 0 AEAERN CC[C@@H](C)[C@@H](C)Nc1cn[nH]c1 35763629 351454983 /nfs/dbraw/zinc/45/49/83/351454983.db2.gz DPQOMGCLZKETOJ-HTQZYQBOSA-N 0 0 167.256 2.256 10 0 AEAERN Oc1ccc2[nH]c(C3CC3)nc2c1 36198149 351455364 /nfs/dbraw/zinc/45/53/64/351455364.db2.gz KLTQTFLMAXRPQN-UHFFFAOYSA-N 0 0 174.203 2.146 10 0 AEAERN CCOc1cc(C)c(O)c(C)c1 36199227 351455547 /nfs/dbraw/zinc/45/55/47/351455547.db2.gz SOICEALYGNLUAH-UHFFFAOYSA-N 0 0 166.220 2.408 10 0 AEAERN CCOc1cc(C)c(C)cc1O 36201188 351455682 /nfs/dbraw/zinc/45/56/82/351455682.db2.gz ZGIUTDFRIXLZDF-UHFFFAOYSA-N 0 0 166.220 2.408 10 0 AEAERN CCOc1c(C)cc(C)cc1O 36199444 351455691 /nfs/dbraw/zinc/45/56/91/351455691.db2.gz GFZXHUXNVVYSFO-UHFFFAOYSA-N 0 0 166.220 2.408 10 0 AEAERN CCOc1ccc(O)c(C)c1C 36200728 351455711 /nfs/dbraw/zinc/45/57/11/351455711.db2.gz YPCPSBBBCCXGHG-UHFFFAOYSA-N 0 0 166.220 2.408 10 0 AEAERN CCOc1c(C)cc(C)cc1N 36199440 351456060 /nfs/dbraw/zinc/45/60/60/351456060.db2.gz QLJAJSJUPBBSCE-UHFFFAOYSA-N 0 0 165.236 2.284 10 0 AEAERN O[C@H]1CC[C@H](c2ccc(F)cc2)C1 36437005 351456644 /nfs/dbraw/zinc/45/66/44/351456644.db2.gz QVIYLEQKCPOJLL-ONGXEEELSA-N 0 0 180.222 2.454 10 0 AEAERN c1ccc2c(c1)NCc1cccn1-2 36448105 351456722 /nfs/dbraw/zinc/45/67/22/351456722.db2.gz SVJWZRQLGHYOGG-UHFFFAOYSA-N 0 0 170.215 2.403 10 0 AEAERN c1ccc(Cc2cn[nH]c2)cc1 36458725 351457419 /nfs/dbraw/zinc/45/74/19/351457419.db2.gz DLHAWERXBUJHNY-UHFFFAOYSA-N 0 0 158.204 2.001 10 0 AEAERN CCS[C@H]1CCCC(=O)C1 36455804 351457440 /nfs/dbraw/zinc/45/74/40/351457440.db2.gz GCFWQXZRXGPXPD-QMMMGPOBSA-N 0 0 158.266 2.251 10 0 AEAERN C[C@@H]1N(C)c2cc(N)ccc2C1(C)C 36456154 351457534 /nfs/dbraw/zinc/45/75/34/351457534.db2.gz NFJWLCLFXMTMJT-QMMMGPOBSA-N 0 0 190.290 2.385 10 0 AEAERN CC[C@@H](C)Nc1cccc(N)c1 36720304 351458644 /nfs/dbraw/zinc/45/86/44/351458644.db2.gz PWWYRIBQIWQWMP-MRVPVSSYSA-N 0 0 164.252 2.479 10 0 AEAERN CC(C)CNc1cccc(N)c1 36720306 351458670 /nfs/dbraw/zinc/45/86/70/351458670.db2.gz IUYRKPIBACUIQP-UHFFFAOYSA-N 0 0 164.252 2.337 10 0 AEAERN CC[C@@H](C)Nc1c(C)n[nH]c1C 36734727 351459009 /nfs/dbraw/zinc/45/90/09/351459009.db2.gz NYQQEQQWNPZOFK-ZCFIWIBFSA-N 0 0 167.256 2.237 10 0 AEAERN CCOc1cccc(O)c1C 36896584 351459836 /nfs/dbraw/zinc/45/98/36/351459836.db2.gz PRLGPYSLOOQBTG-UHFFFAOYSA-N 0 0 152.193 2.099 10 0 AEAERN c1ccc(NCc2csnn2)cc1 36901799 351459969 /nfs/dbraw/zinc/45/99/69/351459969.db2.gz ACTRXHFLHQANJR-UHFFFAOYSA-N 0 0 191.259 2.150 10 0 AEAERN CC(C)CNc1ccc(N(C)C)nc1 36988866 351462159 /nfs/dbraw/zinc/46/21/59/351462159.db2.gz RPSBLANDZRNOJE-UHFFFAOYSA-N 0 0 193.294 2.216 10 0 AEAERN CCOc1ncccc1NC(C)C 37026465 351462239 /nfs/dbraw/zinc/46/22/39/351462239.db2.gz RQIQWFONNYISCF-UHFFFAOYSA-N 0 0 180.251 2.301 10 0 AEAERN CC[C@@H](C)Nc1cccnc1N(C)C 37028834 351462281 /nfs/dbraw/zinc/46/22/81/351462281.db2.gz NJIBAZVJSYTFDG-SECBINFHSA-N 0 0 193.294 2.358 10 0 AEAERN CC[C@@H](C)Nc1cccc(CO)c1 37048529 351462334 /nfs/dbraw/zinc/46/23/34/351462334.db2.gz FJNSROQXJCLTBV-SECBINFHSA-N 0 0 179.263 2.389 10 0 AEAERN CC(C)CN(C)c1cccc(N)c1 37099053 351462399 /nfs/dbraw/zinc/46/23/99/351462399.db2.gz JHTPLWCSRAJUON-UHFFFAOYSA-N 0 0 178.279 2.361 10 0 AEAERN S=C1N=NC(CC2CCCCC2)N1 36965055 351462499 /nfs/dbraw/zinc/46/24/99/351462499.db2.gz FZAHISUJIFEBCK-UHFFFAOYSA-N 0 0 197.307 2.216 10 0 AEAERN CC(C)CNc1cccnc1N(C)C 37028690 351462681 /nfs/dbraw/zinc/46/26/81/351462681.db2.gz JGHTXMRFWHJRTD-UHFFFAOYSA-N 0 0 193.294 2.216 10 0 AEAERN CC[C@@H](C)N(C)c1ccc(Cl)nn1 37110814 351463361 /nfs/dbraw/zinc/46/33/61/351463361.db2.gz IZTVFXKKXPJPCD-SSDOTTSWSA-N 0 0 199.685 2.365 10 0 AEAERN CC(C)COc1[nH]c(=S)ccc1N 37181201 351464551 /nfs/dbraw/zinc/46/45/51/351464551.db2.gz NOHCNDXYUVJYAP-UHFFFAOYSA-N 0 0 198.291 2.361 10 0 AEAERN CCS[C@@H]1CCCCC1=O 37353252 351465149 /nfs/dbraw/zinc/46/51/49/351465149.db2.gz OJSHNARUQJUZST-MRVPVSSYSA-N 0 0 158.266 2.251 10 0 AEAERN S=c1[nH]ncn1CC1CCCC1 37258865 351465170 /nfs/dbraw/zinc/46/51/70/351465170.db2.gz KOWCVEQEDMSCPS-UHFFFAOYSA-N 0 0 183.280 2.131 10 0 AEAERN c1cnc(NCC2CCCCC2)nc1 37247304 351465520 /nfs/dbraw/zinc/46/55/20/351465520.db2.gz BQWIVWXWMPOSMD-UHFFFAOYSA-N 0 0 191.278 2.469 10 0 AEAERN CCS[C@H]1CCCCC1=O 37353254 351465871 /nfs/dbraw/zinc/46/58/71/351465871.db2.gz OJSHNARUQJUZST-QMMMGPOBSA-N 0 0 158.266 2.251 10 0 AEAERN CCOc1ccc2ncccc2c1N 37378334 351466383 /nfs/dbraw/zinc/46/63/83/351466383.db2.gz JEIOKLHQGLUFQE-UHFFFAOYSA-N 0 0 188.230 2.216 10 0 AEAERN CC[C@@H](C)Nc1nsnc1Cl 37372214 351466400 /nfs/dbraw/zinc/46/64/00/351466400.db2.gz KFANWQNTVNGZHP-SCSAIBSYSA-N 0 0 191.687 2.402 10 0 AEAERN C[C@@](O)(C1CCCC1)C1CC1 37380405 351466556 /nfs/dbraw/zinc/46/65/56/351466556.db2.gz DQJZEJMVMHMZSO-SNVBAGLBSA-N 0 0 154.253 2.338 10 0 AEAERN O=c1[nH]c(C2CCCCC2)cs1 37367440 351466828 /nfs/dbraw/zinc/46/68/28/351466828.db2.gz JYHFOMLWGGWWSY-UHFFFAOYSA-N 0 0 183.276 2.484 10 0 AEAERN CC(C)COc1nsnc1Cl 37371827 351466873 /nfs/dbraw/zinc/46/68/73/351466873.db2.gz NBXCRNKYGCEMFL-UHFFFAOYSA-N 0 0 192.671 2.226 10 0 AEAERN OC1CC(c2cccc(F)c2)C1 37461718 351467604 /nfs/dbraw/zinc/46/76/04/351467604.db2.gz JOABNZXVELSAPJ-UHFFFAOYSA-N 0 0 166.195 2.064 10 0 AEAERN O[C@H](C[C@@H]1CCCO1)C1CCCCC1 37465072 351467807 /nfs/dbraw/zinc/46/78/07/351467807.db2.gz SEQZMNINVNVLEP-NWDGAFQWSA-N 0 0 198.306 2.497 10 0 AEAERN CC(C)CNc1cccc(F)c1N 37419145 351468070 /nfs/dbraw/zinc/46/80/70/351468070.db2.gz RZZULQOEOUGICO-UHFFFAOYSA-N 0 0 182.242 2.476 10 0 AEAERN O[C@H](C[C@H]1CCCO1)C1CCCCC1 37465076 351468117 /nfs/dbraw/zinc/46/81/17/351468117.db2.gz SEQZMNINVNVLEP-VXGBXAGGSA-N 0 0 198.306 2.497 10 0 AEAERN O[C@@H](C[C@H]1CCCO1)C1CCCCC1 37465078 351468697 /nfs/dbraw/zinc/46/86/97/351468697.db2.gz SEQZMNINVNVLEP-NEPJUHHUSA-N 0 0 198.306 2.497 10 0 AEAERN O[C@H](C[C@@H]1CCCO1)c1ccccc1 37465104 351468701 /nfs/dbraw/zinc/46/87/01/351468701.db2.gz PIOCYBCEAKLVMJ-NWDGAFQWSA-N 0 0 192.258 2.289 10 0 AEAERN O[C@@H](C[C@H]1CCCO1)c1ccccc1 37465110 351468811 /nfs/dbraw/zinc/46/88/11/351468811.db2.gz PIOCYBCEAKLVMJ-NEPJUHHUSA-N 0 0 192.258 2.289 10 0 AEAERN O[C@H](C[C@H]1CCCO1)c1ccccc1 37465108 351469035 /nfs/dbraw/zinc/46/90/35/351469035.db2.gz PIOCYBCEAKLVMJ-VXGBXAGGSA-N 0 0 192.258 2.289 10 0 AEAERN c1cnc(NCCC2CCCC2)cn1 37501483 351469824 /nfs/dbraw/zinc/46/98/24/351469824.db2.gz BYURWCMWUUXVNQ-UHFFFAOYSA-N 0 0 191.278 2.469 10 0 AEAERN c1cnc(NCCC2CCCC2)nc1 37492653 351470013 /nfs/dbraw/zinc/47/00/13/351470013.db2.gz IRIJNPNJUQTMPD-UHFFFAOYSA-N 0 0 191.278 2.469 10 0 AEAERN O[C@H]1CCC[C@H]1Nc1ccccc1 37689606 351470944 /nfs/dbraw/zinc/47/09/44/351470944.db2.gz FNOQWGKNOBRXBB-MNOVXSKESA-N 0 0 177.247 2.012 10 0 AEAERN O[C@H]1CCC[C@@H]1Nc1ccccc1 37689607 351471028 /nfs/dbraw/zinc/47/10/28/351471028.db2.gz FNOQWGKNOBRXBB-QWRGUYRKSA-N 0 0 177.247 2.012 10 0 AEAERN CC(C)CNc1cc(N)cc(F)c1 37666664 351471099 /nfs/dbraw/zinc/47/10/99/351471099.db2.gz VKVVXXCPIPSOSB-UHFFFAOYSA-N 0 0 182.242 2.476 10 0 AEAERN CCOc1cc(C=O)c(OC)cc1C 37628020 351471374 /nfs/dbraw/zinc/47/13/74/351471374.db2.gz CPXOHWMZGDYZSE-UHFFFAOYSA-N 0 0 194.230 2.215 10 0 AEAERN CC(C)CS[C@@H]1CCC[C@@H]1O 37696936 351471692 /nfs/dbraw/zinc/47/16/92/351471692.db2.gz SSMGLYBHMULAAJ-DTWKUNHWSA-N 0 0 174.309 2.289 10 0 AEAERN O[C@@H]1CCC[C@H]1SCc1ccco1 37696972 351471821 /nfs/dbraw/zinc/47/18/21/351471821.db2.gz HWLFSFGUQSNIRH-NXEZZACHSA-N 0 0 198.287 2.426 10 0 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39103818 351491666 /nfs/dbraw/zinc/49/16/66/351491666.db2.gz VDRQJZBUGAEMSM-VIFPVBQESA-N 0 0 162.236 2.156 10 0 AEAERN CC(C)C1=Nc2nccn2CC1 39103868 351491703 /nfs/dbraw/zinc/49/17/03/351491703.db2.gz AOZPTEPHFSGYOS-UHFFFAOYSA-N 0 0 163.224 2.015 10 0 AEAERN CC(C)C1=Nc2ccnn2CC1 39103863 351491753 /nfs/dbraw/zinc/49/17/53/351491753.db2.gz DZJPLVRPJGRBKK-UHFFFAOYSA-N 0 0 163.224 2.015 10 0 AEAERN CC(C)C1=NO[C@H]2CCC[C@@H]12 39103208 351491759 /nfs/dbraw/zinc/49/17/59/351491759.db2.gz IPISWPVMASXWEC-SFYZADRCSA-N 0 0 153.225 2.197 10 0 AEAERN c1cc2nccc3[nH]oc(c1)c23 39113016 351491763 /nfs/dbraw/zinc/49/17/63/351491763.db2.gz KEUKGDVLLQSVLH-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN C[C@@H](c1cc(N)no1)C(C)(C)C 39113281 351492320 /nfs/dbraw/zinc/49/23/20/351492320.db2.gz DYCQWTPMIHWXKN-LURJTMIESA-N 0 0 168.240 2.406 10 0 AEAERN C[C@@H]1Nc2ccccc2NC1=S 39114097 351492584 /nfs/dbraw/zinc/49/25/84/351492584.db2.gz ZPCPNLFCPYHDQX-LURJTMIESA-N 0 0 178.260 2.240 10 0 AEAERN c1ccc(Oc2ccncn2)cc1 39121162 351493308 /nfs/dbraw/zinc/49/33/08/351493308.db2.gz IMKINJYINPIXRW-UHFFFAOYSA-N 0 0 172.187 2.269 10 0 AEAERN CC(C)CCSc1cc[n+]([O-])cc1 39117092 351493859 /nfs/dbraw/zinc/49/38/59/351493859.db2.gz NTWKDVUSMYCGEV-UHFFFAOYSA-N 0 0 197.303 2.458 10 0 AEAERN CCOc1cncc2cccc(O)c12 39119763 351493906 /nfs/dbraw/zinc/49/39/06/351493906.db2.gz OVNSADKVRFBDDR-UHFFFAOYSA-N 0 0 189.214 2.339 10 0 AEAERN S=c1cccc2n1CCC2 39124510 351494518 /nfs/dbraw/zinc/49/45/18/351494518.db2.gz LFOVHGLKDGUSEF-UHFFFAOYSA-N 0 0 151.234 2.164 10 0 AEAERN c1ccc(Cc2cncnc2)cc1 39121268 351494632 /nfs/dbraw/zinc/49/46/32/351494632.db2.gz NPYPQKXJJZZSAX-UHFFFAOYSA-N 0 0 170.215 2.067 10 0 AEAERN O=c1cc2[nH]cccc-2cc1F 39129167 351494636 /nfs/dbraw/zinc/49/46/36/351494636.db2.gz WYRDNIIRBIQMCJ-UHFFFAOYSA-N 0 0 163.151 2.080 10 0 AEAERN c1cncc(SC2=NCCS2)c1 39123082 351494869 /nfs/dbraw/zinc/49/48/69/351494869.db2.gz OYRCUNGZSXTSRG-UHFFFAOYSA-N 0 0 196.300 2.277 10 0 AEAERN c1nc2cc3ccsc3nc2[nH]1 39132893 351494845 /nfs/dbraw/zinc/49/48/45/351494845.db2.gz YAYUGXHTJPNZMP-UHFFFAOYSA-N 0 0 175.216 2.173 10 0 AEAERN c1ccc(SC2=NCCS2)nc1 39123081 351494850 /nfs/dbraw/zinc/49/48/50/351494850.db2.gz YGBVZLOQUKFLDV-UHFFFAOYSA-N 0 0 196.300 2.277 10 0 AEAERN c1cc2cncc3[nH]oc(c1)c23 39123953 351494875 /nfs/dbraw/zinc/49/48/75/351494875.db2.gz YUGYLCJDIVWVME-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN c1cc2cc3no[nH]c3cc2c1 39133601 351495027 /nfs/dbraw/zinc/49/50/27/351495027.db2.gz OEVJCBLPVWARGS-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN Oc1cc2ccncc2cc1F 39128120 351495068 /nfs/dbraw/zinc/49/50/68/351495068.db2.gz OCHUKIVEZTXFEQ-UHFFFAOYSA-N 0 0 163.151 2.080 10 0 AEAERN c1cc2c3c(nccc3c1)CO2 39136288 351495582 /nfs/dbraw/zinc/49/55/82/351495582.db2.gz VYGXLMFTYPGMIP-UHFFFAOYSA-N 0 0 157.172 2.127 10 0 AEAERN CCOc1cnc2ccccc2n1 39134329 351495668 /nfs/dbraw/zinc/49/56/68/351495668.db2.gz HUCCVCXEWPCKLR-UHFFFAOYSA-N 0 0 174.203 2.029 10 0 AEAERN c1ccc2nc3occc3nc2c1 39134559 351495807 /nfs/dbraw/zinc/49/58/07/351495807.db2.gz ZKLLPYDFYIVUBN-UHFFFAOYSA-N 0 0 170.171 2.376 10 0 AEAERN c1cc2ccc3c[nH]nc3c2o1 39136348 351495844 /nfs/dbraw/zinc/49/58/44/351495844.db2.gz YPUOWCKEJMCCGB-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN c1cc2c3c(ccnc3c1)CO2 39136333 351495871 /nfs/dbraw/zinc/49/58/71/351495871.db2.gz ZDDOLOWYNJAKLF-UHFFFAOYSA-N 0 0 157.172 2.127 10 0 AEAERN c1ccc2c(c1)oc1c[nH]nc12 39136318 351495940 /nfs/dbraw/zinc/49/59/40/351495940.db2.gz VMLKMYJTGAISQF-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN c1coc(-c2cncs2)c1 39134525 351495978 /nfs/dbraw/zinc/49/59/78/351495978.db2.gz NLZRZEXXQZKGME-UHFFFAOYSA-N 0 0 151.190 2.403 10 0 AEAERN C[C@@H](O)c1cccc2occc12 39136500 351496645 /nfs/dbraw/zinc/49/66/45/351496645.db2.gz KXDNUFJMIAMEBI-SSDOTTSWSA-N 0 0 162.188 2.486 10 0 AEAERN ON[C@H]1CCCc2ccccc21 39235591 351499248 /nfs/dbraw/zinc/49/92/48/351499248.db2.gz DDMMFMZWIHCKOO-JTQLQIEISA-N 0 0 163.220 2.043 10 0 AEAERN C[C@@H](O)c1ccc2occc2c1 39136498 351496858 /nfs/dbraw/zinc/49/68/58/351496858.db2.gz PEZBLWQGTBTVEA-SSDOTTSWSA-N 0 0 162.188 2.486 10 0 AEAERN O=Cc1cc2occc2cc1F 39136490 351496914 /nfs/dbraw/zinc/49/69/14/351496914.db2.gz KTWXKGPSXGWMQV-UHFFFAOYSA-N 0 0 164.135 2.384 10 0 AEAERN O=Cc1cc2cccc(F)c2o1 39184788 351497031 /nfs/dbraw/zinc/49/70/31/351497031.db2.gz IBOKEYDWBKOMNM-UHFFFAOYSA-N 0 0 164.135 2.384 10 0 AEAERN O=Cc1ccc(F)c2occc12 39136492 351497190 /nfs/dbraw/zinc/49/71/90/351497190.db2.gz QBYIPNHVKFERGT-UHFFFAOYSA-N 0 0 164.135 2.384 10 0 AEAERN O=c1ccccc2ccccc12 39188666 351497211 /nfs/dbraw/zinc/49/72/11/351497211.db2.gz SBWVASGNXJVLND-UHFFFAOYSA-N 0 0 156.184 2.200 10 0 AEAERN O=Cc1ccc2sccc2c1O 39199214 351497561 /nfs/dbraw/zinc/49/75/61/351497561.db2.gz SOLSUDSNGLHWCC-UHFFFAOYSA-N 0 0 178.212 2.419 10 0 AEAERN c1ccc(Nc2cccnn2)cc1 39206927 351497587 /nfs/dbraw/zinc/49/75/87/351497587.db2.gz RBAQOAYHTJXKRR-UHFFFAOYSA-N 0 0 171.203 2.220 10 0 AEAERN c1nnc(NC2CCCCC2)s1 39207397 351497831 /nfs/dbraw/zinc/49/78/31/351497831.db2.gz MYZVGTRZOIKXAI-UHFFFAOYSA-N 0 0 183.280 2.283 10 0 AEAERN CC(C)C[C@H](O)c1ccco1 39215973 351497941 /nfs/dbraw/zinc/49/79/41/351497941.db2.gz WPTNAKBTQXBXLX-QMMMGPOBSA-N 0 0 154.209 2.359 10 0 AEAERN CC[C@@H](C)C(=O)c1ccccc1N 39203809 351497994 /nfs/dbraw/zinc/49/79/94/351497994.db2.gz JFVKAYSYXOTZCX-MRVPVSSYSA-N 0 0 177.247 2.498 10 0 AEAERN C[C@@H](O)c1nccc2ccccc12 39208923 351498081 /nfs/dbraw/zinc/49/80/81/351498081.db2.gz KVPWEPKQZVFAMW-MRVPVSSYSA-N 0 0 173.215 2.288 10 0 AEAERN O[C@@H](c1ccccc1)c1ccoc1 39208624 351498094 /nfs/dbraw/zinc/49/80/94/351498094.db2.gz VIXPONJJTFDPMT-NSHDSACASA-N 0 0 174.199 2.361 10 0 AEAERN ON[C@@H]1CCCc2ccccc21 39235592 351499342 /nfs/dbraw/zinc/49/93/42/351499342.db2.gz DDMMFMZWIHCKOO-SNVBAGLBSA-N 0 0 163.220 2.043 10 0 AEAERN c1cc2sccc2[nH]1 39275156 351499731 /nfs/dbraw/zinc/49/97/31/351499731.db2.gz DWAIOCIOSRZZHO-UHFFFAOYSA-N 0 0 123.180 2.229 10 0 AEAERN COc1cccc2c1CC[C@@H](C)N2 39271549 351499846 /nfs/dbraw/zinc/49/98/46/351499846.db2.gz BFYHFIAUSLGNEW-MRVPVSSYSA-N 0 0 177.247 2.442 10 0 AEAERN O=Cc1ccc2ccc(O)cc2c1 39257109 351499941 /nfs/dbraw/zinc/49/99/41/351499941.db2.gz LYXQSEYFXNKMJD-UHFFFAOYSA-N 0 0 172.183 2.358 10 0 AEAERN COc1cccc2c1CC[C@H](C)N2 39271550 351500222 /nfs/dbraw/zinc/50/02/22/351500222.db2.gz BFYHFIAUSLGNEW-QMMMGPOBSA-N 0 0 177.247 2.442 10 0 AEAERN c1ccc2c(c1)Nc1nccnc1O2 39331170 351500892 /nfs/dbraw/zinc/50/08/92/351500892.db2.gz GGTPCHDEDVIPCD-UHFFFAOYSA-N 0 0 185.186 2.326 10 0 AEAERN CC[C@@H](C)C(=O)c1cccnc1 39295307 351501059 /nfs/dbraw/zinc/50/10/59/351501059.db2.gz HATVKJPCJWYXFZ-MRVPVSSYSA-N 0 0 163.220 2.310 10 0 AEAERN c1ccc(NCc2ncccn2)cc1 39322675 351501137 /nfs/dbraw/zinc/50/11/37/351501137.db2.gz JPLYDAUASYIUPD-UHFFFAOYSA-N 0 0 185.230 2.089 10 0 AEAERN C[C@@H]1Cc2c(ccc(F)c2F)N1 39407969 351502440 /nfs/dbraw/zinc/50/24/40/351502440.db2.gz CXHAQXIUDRZAEX-RXMQYKEDSA-N 0 0 169.174 2.321 10 0 AEAERN O=Nc1cc2c(Cl)nccn2c1 39698267 351504697 /nfs/dbraw/zinc/50/46/97/351504697.db2.gz PIPFOMMXYNYFPT-UHFFFAOYSA-N 0 0 181.582 2.386 10 0 AEAERN O[C@H](c1ccc(F)cc1F)C1CC1 40248937 351505292 /nfs/dbraw/zinc/50/52/92/351505292.db2.gz LPWPNLSZHSONEY-JTQLQIEISA-N 0 0 184.185 2.408 10 0 AEAERN O[C@@H](C[C@H]1CCCO1)c1cccs1 40237806 351505329 /nfs/dbraw/zinc/50/53/29/351505329.db2.gz BUSCBUSDIBVHPO-BDAKNGLRSA-N 0 0 198.287 2.351 10 0 AEAERN O[C@H](c1ccc2c(c1)CCO2)C1CC1 40245530 351505556 /nfs/dbraw/zinc/50/55/56/351505556.db2.gz NSOLGLSZQJHQEV-LBPRGKRZSA-N 0 0 190.242 2.065 10 0 AEAERN O[C@H](C[C@H]1CCCO1)c1cccs1 40237804 351505566 /nfs/dbraw/zinc/50/55/66/351505566.db2.gz BUSCBUSDIBVHPO-RKDXNWHRSA-N 0 0 198.287 2.351 10 0 AEAERN O[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 40243643 351505570 /nfs/dbraw/zinc/50/55/70/351505570.db2.gz RGXFSWMQDAOTLS-QWRGUYRKSA-N 0 0 196.221 2.038 10 0 AEAERN C[C@@H](O)c1ccc2c(c1)CCCO2 40264798 351505579 /nfs/dbraw/zinc/50/55/79/351505579.db2.gz XTURLSUHRPPBCS-MRVPVSSYSA-N 0 0 178.231 2.065 10 0 AEAERN O[C@H](c1ccc(F)cc1)[C@H]1CCCO1 40243646 351505650 /nfs/dbraw/zinc/50/56/50/351505650.db2.gz RGXFSWMQDAOTLS-GHMZBOCLSA-N 0 0 196.221 2.038 10 0 AEAERN CCOc1cccc(N)c1Cl 40435326 351506920 /nfs/dbraw/zinc/50/69/20/351506920.db2.gz YUWOWVZPVMSMGE-UHFFFAOYSA-N 0 0 171.627 2.321 10 0 AEAERN O=c1ccc(-c2cccs2)c[nH]1 40546554 351508635 /nfs/dbraw/zinc/50/86/35/351508635.db2.gz HOATYRDOTOPQRJ-UHFFFAOYSA-N 0 0 177.228 2.103 10 0 AEAERN OCc1csc(C2CCCC2)n1 40539369 351509074 /nfs/dbraw/zinc/50/90/74/351509074.db2.gz KXQJTBPESKCYEB-UHFFFAOYSA-N 0 0 183.276 2.293 10 0 AEAERN CC(C)CN(C)c1cccc(F)n1 40712019 351509246 /nfs/dbraw/zinc/50/92/46/351509246.db2.gz HHAHPIYHDZIBHK-UHFFFAOYSA-N 0 0 182.242 2.313 10 0 AEAERN C[C@@H]1CCN(c2cccc(N)c2)C1 40717658 351509801 /nfs/dbraw/zinc/50/98/01/351509801.db2.gz YGSAXAIXQNQDHV-SECBINFHSA-N 0 0 176.263 2.115 10 0 AEAERN C[C@@H]1CCN(c2cc(N)cc(F)c2)C1 40717791 351509904 /nfs/dbraw/zinc/50/99/04/351509904.db2.gz FVEVNIAMUNBIBU-MRVPVSSYSA-N 0 0 194.253 2.254 10 0 AEAERN C[C@@H]1CCN(c2ccc(C=O)cc2)C1 40718536 351510027 /nfs/dbraw/zinc/51/00/27/351510027.db2.gz QPGLCROWYCQXCS-SNVBAGLBSA-N 0 0 189.258 2.345 10 0 AEAERN CCSc1cccc(F)n1 40712349 351510405 /nfs/dbraw/zinc/51/04/05/351510405.db2.gz NIRGODXQUDJVAM-UHFFFAOYSA-N 0 0 157.213 2.333 10 0 AEAERN C[C@@H]1CCN(c2ccc(CO)cc2)C1 40718751 351510517 /nfs/dbraw/zinc/51/05/17/351510517.db2.gz OXEPNXILRCYGBZ-SNVBAGLBSA-N 0 0 191.274 2.025 10 0 AEAERN C[C@@H]1CCN(c2cccc(F)n2)C1 40726221 351510524 /nfs/dbraw/zinc/51/05/24/351510524.db2.gz HVPHZTVILKULEQ-MRVPVSSYSA-N 0 0 180.226 2.067 10 0 AEAERN OCCc1ccc(-n2cccc2)cc1 40739080 351510818 /nfs/dbraw/zinc/51/08/18/351510818.db2.gz YMPNHBIWUCLPFT-UHFFFAOYSA-N 0 0 187.242 2.012 10 0 AEAERN CC(C)C[C@@H](C)Nc1ccncn1 40863067 351511389 /nfs/dbraw/zinc/51/13/89/351511389.db2.gz HJAKCZFELZNKSC-SECBINFHSA-N 0 0 179.267 2.323 10 0 AEAERN c1cc(NCC2CCCC2)ncn1 40863063 351511410 /nfs/dbraw/zinc/51/14/10/351511410.db2.gz DGUNBXUQKTUDGV-UHFFFAOYSA-N 0 0 177.251 2.079 10 0 AEAERN CC(C)C[C@H](C)Nc1ccncn1 40863069 351511520 /nfs/dbraw/zinc/51/15/20/351511520.db2.gz HJAKCZFELZNKSC-VIFPVBQESA-N 0 0 179.267 2.323 10 0 AEAERN c1cc(NC2CCCCC2)ncn1 40862871 351511560 /nfs/dbraw/zinc/51/15/60/351511560.db2.gz FHTGYKKECVRTEQ-UHFFFAOYSA-N 0 0 177.251 2.221 10 0 AEAERN C[C@@H]1CCC[C@@H](Nc2ccncn2)C1 40863059 351511674 /nfs/dbraw/zinc/51/16/74/351511674.db2.gz YSDYAOXYZNXMQA-NXEZZACHSA-N 0 0 191.278 2.467 10 0 AEAERN c1csc(CNc2ccncn2)c1 40863047 351511783 /nfs/dbraw/zinc/51/17/83/351511783.db2.gz HCTIUZSRYUBYHC-UHFFFAOYSA-N 0 0 191.259 2.150 10 0 AEAERN C[C@@H]1CCCC[C@@H]1Nc1ccncn1 40862986 351511767 /nfs/dbraw/zinc/51/17/67/351511767.db2.gz UBAQKXLZPBUOTJ-ZJUUUORDSA-N 0 0 191.278 2.467 10 0 AEAERN C[C@@H]1CCCC[C@H]1Nc1ccncn1 40862990 351511804 /nfs/dbraw/zinc/51/18/04/351511804.db2.gz UBAQKXLZPBUOTJ-NXEZZACHSA-N 0 0 191.278 2.467 10 0 AEAERN C[C@@H]1CCC[C@H](Nc2ccncn2)C1 40863055 351511996 /nfs/dbraw/zinc/51/19/96/351511996.db2.gz YSDYAOXYZNXMQA-ZJUUUORDSA-N 0 0 191.278 2.467 10 0 AEAERN CC[C@@H](C)Nc1ccc(F)cn1 41045287 351513960 /nfs/dbraw/zinc/51/39/60/351513960.db2.gz CXNCWSPGXPREKS-SSDOTTSWSA-N 0 0 168.215 2.431 10 0 AEAERN c1ncc(C[NH2+]C2CCCCCC2)o1 41050812 351514005 /nfs/dbraw/zinc/51/40/05/351514005.db2.gz VUZDFTVLIUICFC-UHFFFAOYSA-N 0 0 194.278 2.487 10 0 AEAERN OC[C@@H](Nc1ccc(F)cc1)C1CC1 41047688 351514073 /nfs/dbraw/zinc/51/40/73/351514073.db2.gz WPLCPXMVOOMELB-LLVKDONJSA-N 0 0 195.237 2.009 10 0 AEAERN OC[C@@H](Nc1ccccc1F)C1CC1 41047720 351514855 /nfs/dbraw/zinc/51/48/55/351514855.db2.gz LBDWUYOYKBRQBH-LLVKDONJSA-N 0 0 195.237 2.009 10 0 AEAERN c1csc(-c2nnc(C3CC3)[nH]2)c1 41057740 351515876 /nfs/dbraw/zinc/51/58/76/351515876.db2.gz QJSLHVBCMMIXGK-UHFFFAOYSA-N 0 0 191.259 2.411 10 0 AEAERN CC[C@@H](C)c1nc(C(C)C)n[nH]1 41057211 351516048 /nfs/dbraw/zinc/51/60/48/351516048.db2.gz LKMZDHCYGAAADC-SSDOTTSWSA-N 0 0 167.256 2.442 10 0 AEAERN c1ccc(NCc2cnco2)cc1 41050817 351516113 /nfs/dbraw/zinc/51/61/13/351516113.db2.gz QPZHBQNCZYNCHN-UHFFFAOYSA-N 0 0 174.203 2.287 10 0 AEAERN CC[C@@H](C)c1nnc(C2CC2)[nH]1 41057704 351516446 /nfs/dbraw/zinc/51/64/46/351516446.db2.gz LFZHKZHRPGFFGY-ZCFIWIBFSA-N 0 0 165.240 2.196 10 0 AEAERN O[C@@H]1CCCc2c1ccn2C1CC1 41712473 351518573 /nfs/dbraw/zinc/51/85/73/351518573.db2.gz YIRPOFGFXNQSIF-LLVKDONJSA-N 0 0 177.247 2.193 10 0 AEAERN c1ccc2c(c1)ncn2C1CC1 41391588 351518814 /nfs/dbraw/zinc/51/88/14/351518814.db2.gz ACIDPTVDZFFJSA-UHFFFAOYSA-N 0 0 158.204 2.371 10 0 AEAERN O=Cc1cnoc1-c1ccccc1 42188497 351519997 /nfs/dbraw/zinc/51/99/97/351519997.db2.gz RIMGESGYNZFTJX-UHFFFAOYSA-N 0 0 173.171 2.154 10 0 AEAERN O[C@@H]1CCCc2c1ccn2CC1CC1 41712836 351520068 /nfs/dbraw/zinc/52/00/68/351520068.db2.gz ISUKCCDTPHUPAZ-GFCCVEGCSA-N 0 0 191.274 2.268 10 0 AEAERN O[C@H]1CCCc2c1ccn2CC1CC1 41712840 351520123 /nfs/dbraw/zinc/52/01/23/351520123.db2.gz ISUKCCDTPHUPAZ-LBPRGKRZSA-N 0 0 191.274 2.268 10 0 AEAERN CC[C@@H](C)[S@@](=O)c1ccccc1N 42194289 351520293 /nfs/dbraw/zinc/52/02/93/351520293.db2.gz MLHKVWOITUMHSI-OQPBUACISA-N 0 0 197.303 2.175 10 0 AEAERN c1coc(CCn2cccc2)c1 42593113 351524516 /nfs/dbraw/zinc/52/45/16/351524516.db2.gz BIGBGRCBSUCSLZ-UHFFFAOYSA-N 0 0 161.204 2.324 10 0 AEAERN S=c1[nH]ccn1C[C@@H]1CCCCO1 42823046 351526584 /nfs/dbraw/zinc/52/65/84/351526584.db2.gz KLRKYOPTZUIODN-QMMMGPOBSA-N 0 0 198.291 2.115 10 0 AEAERN S=c1[nH]ccn1C[C@H]1CCCCO1 42823050 351526730 /nfs/dbraw/zinc/52/67/30/351526730.db2.gz KLRKYOPTZUIODN-MRVPVSSYSA-N 0 0 198.291 2.115 10 0 AEAERN c1ccn(C[C@@H]2CCCCO2)c1 42824356 351526797 /nfs/dbraw/zinc/52/67/97/351526797.db2.gz HSHXLWWLSBDMCY-JTQLQIEISA-N 0 0 165.236 2.057 10 0 AEAERN c1ccn(C[C@H]2CCCCO2)c1 42824359 351526849 /nfs/dbraw/zinc/52/68/49/351526849.db2.gz HSHXLWWLSBDMCY-SNVBAGLBSA-N 0 0 165.236 2.057 10 0 AEAERN CC[C@@H](C)[C@](C)(O)C(F)(F)F 43367770 351527888 /nfs/dbraw/zinc/52/78/88/351527888.db2.gz HWAOQANBKFAUMR-RITPCOANSA-N 0 0 170.174 2.346 10 0 AEAERN CC[C@@H](C)[C@@](C)(O)C(F)(F)F 43367772 351527943 /nfs/dbraw/zinc/52/79/43/351527943.db2.gz HWAOQANBKFAUMR-PHDIDXHHSA-N 0 0 170.174 2.346 10 0 AEAERN CC[C@@H](C)N(C)c1nccnc1Cl 43537672 351530704 /nfs/dbraw/zinc/53/07/04/351530704.db2.gz NMJYEUDEGXCHIY-SSDOTTSWSA-N 0 0 199.685 2.365 10 0 AEAERN CCSc1nccnc1Cl 43538436 351530737 /nfs/dbraw/zinc/53/07/37/351530737.db2.gz NHZHEUHEWKLQCA-UHFFFAOYSA-N 0 0 174.656 2.242 10 0 AEAERN C[C@@H]1C[C@@H]1C(=O)c1ccco1 43606571 351531839 /nfs/dbraw/zinc/53/18/39/351531839.db2.gz BLMHZCNFTKFWJC-RQJHMYQMSA-N 0 0 150.177 2.118 10 0 AEAERN C[C@@H]1Oc2c(Cl)cccc2C1=O 43633034 351532019 /nfs/dbraw/zinc/53/20/19/351532019.db2.gz HLZPMTWWRDMMBO-YFKPBYRVSA-N 0 0 182.606 2.304 10 0 AEAERN CC(C)CSc1cc(N)ccn1 43569713 351532062 /nfs/dbraw/zinc/53/20/62/351532062.db2.gz VQAHOCWAYDYPIR-UHFFFAOYSA-N 0 0 182.292 2.412 10 0 AEAERN C[C@@H]1C[C@H]1C(=O)c1ccco1 43606575 351532602 /nfs/dbraw/zinc/53/26/02/351532602.db2.gz BLMHZCNFTKFWJC-RNFRBKRXSA-N 0 0 150.177 2.118 10 0 AEAERN CC[C@@H](C)Cn1ncc(Cl)c1N 43665758 351533172 /nfs/dbraw/zinc/53/31/72/351533172.db2.gz XBSAXYFZRAHFGN-ZCFIWIBFSA-N 0 0 187.674 2.165 10 0 AEAERN CC[C@@H](C)n1ncc(Cl)c1N 43665603 351533392 /nfs/dbraw/zinc/53/33/92/351533392.db2.gz GDFUJKIMVFMWMZ-RXMQYKEDSA-N 0 0 173.647 2.090 10 0 AEAERN O=c1cccc(C2CCCC2)[nH]1 44062946 351534396 /nfs/dbraw/zinc/53/43/96/351534396.db2.gz HRMCRWHDCMKEPU-UHFFFAOYSA-N 0 0 163.220 2.033 10 0 AEAERN O=c1ccc(C2CCCC2)c[nH]1 44063000 351534411 /nfs/dbraw/zinc/53/44/11/351534411.db2.gz DSCYQGLNRBKVTA-UHFFFAOYSA-N 0 0 163.220 2.033 10 0 AEAERN O=c1ccc(-c2ccccc2F)c[nH]1 44062954 351534741 /nfs/dbraw/zinc/53/47/41/351534741.db2.gz LZFRLLXVSFDDQU-UHFFFAOYSA-N 0 0 189.189 2.181 10 0 AEAERN O=c1cccc(-c2cccs2)[nH]1 44062940 351534790 /nfs/dbraw/zinc/53/47/90/351534790.db2.gz OYXVCXRBUVWISS-UHFFFAOYSA-N 0 0 177.228 2.103 10 0 AEAERN O=c1cccc(-c2cccc(F)c2)[nH]1 44062952 351534819 /nfs/dbraw/zinc/53/48/19/351534819.db2.gz CZULWMWIVXPBIN-UHFFFAOYSA-N 0 0 189.189 2.181 10 0 AEAERN O=c1cccc(-c2ccsc2)[nH]1 44062943 351534832 /nfs/dbraw/zinc/53/48/32/351534832.db2.gz VVVKIXJOGFLACL-UHFFFAOYSA-N 0 0 177.228 2.103 10 0 AEAERN O=c1ccc(-c2ccsc2)c[nH]1 44062997 351534894 /nfs/dbraw/zinc/53/48/94/351534894.db2.gz RYYAUZRVKSNJEF-UHFFFAOYSA-N 0 0 177.228 2.103 10 0 AEAERN O=c1cccc(C2CCCCC2)[nH]1 44116805 351535329 /nfs/dbraw/zinc/53/53/29/351535329.db2.gz VYYJWWIKZZHYLF-UHFFFAOYSA-N 0 0 177.247 2.423 10 0 AEAERN O=c1cc(C2CCCCC2)cc[nH]1 44120355 351535531 /nfs/dbraw/zinc/53/55/31/351535531.db2.gz CPANNIBGAJGHJX-UHFFFAOYSA-N 0 0 177.247 2.423 10 0 AEAERN O=c1cccc(-c2ccccc2F)[nH]1 44120304 351535541 /nfs/dbraw/zinc/53/55/41/351535541.db2.gz ICFVEMHSSLEWDQ-UHFFFAOYSA-N 0 0 189.189 2.181 10 0 AEAERN O=c1cc(C2CCCC2)cc[nH]1 44120344 351535548 /nfs/dbraw/zinc/53/55/48/351535548.db2.gz AIBRWYGBZSLEKK-UHFFFAOYSA-N 0 0 163.220 2.033 10 0 AEAERN O=c1cc[nH]c(-c2cccs2)c1 44118872 351535672 /nfs/dbraw/zinc/53/56/72/351535672.db2.gz UHDZBRUMYBQSJK-UHFFFAOYSA-N 0 0 177.228 2.103 10 0 AEAERN O=c1cc[nH]c(C2CCCCC2)c1 44118319 351535705 /nfs/dbraw/zinc/53/57/05/351535705.db2.gz RWKNENWXLPFIBB-UHFFFAOYSA-N 0 0 177.247 2.423 10 0 AEAERN O=C1CSC(C2CCC2)=N1 44118916 351535802 /nfs/dbraw/zinc/53/58/02/351535802.db2.gz RMVFZRZCFAEBHK-UHFFFAOYSA-N 0 0 155.222 2.116 10 0 AEAERN O=c1ccc(C2CCCCC2)c[nH]1 44120599 351535818 /nfs/dbraw/zinc/53/58/18/351535818.db2.gz KCCTZURAJHDVFR-UHFFFAOYSA-N 0 0 177.247 2.423 10 0 AEAERN O=C1CSC(c2ccco2)=N1 44118838 351535821 /nfs/dbraw/zinc/53/58/21/351535821.db2.gz RXHDCHCIDPIZRP-UHFFFAOYSA-N 0 0 167.189 2.109 10 0 AEAERN c1cc2ccc(C3OCCO3)cc2[nH]1 44231185 351536559 /nfs/dbraw/zinc/53/65/59/351536559.db2.gz USWYNNREJVEUPB-UHFFFAOYSA-N 0 0 189.214 2.213 10 0 AEAERN O[C@H]1CCCc2ccc(Cl)nc21 44139432 351536675 /nfs/dbraw/zinc/53/66/75/351536675.db2.gz IAJNDQUFQBHDAH-ZETCQYMHSA-N 0 0 183.638 2.105 10 0 in-vitro AEAERN O[C@@H]1CCCc2ccc(Cl)nc21 44139434 351536535 /nfs/dbraw/zinc/53/65/35/351536535.db2.gz IAJNDQUFQBHDAH-SSDOTTSWSA-N 0 0 183.638 2.105 10 0 in-vitro AEAERN O=Cc1c[nH]c2c(Cl)nccc12 44185349 351536625 /nfs/dbraw/zinc/53/66/25/351536625.db2.gz RWEFBOMMWQHIGS-UHFFFAOYSA-N 0 0 180.594 2.029 10 0 in-vitro AEAERN OCCO[C@H]1CCCc2ccccc21 44220525 351536658 /nfs/dbraw/zinc/53/66/58/351536658.db2.gz ZFWHXSWANXWSPW-LBPRGKRZSA-N 0 0 192.258 2.073 10 0 AEAERN C[C@@H]1CCC[C@H](O[C@@H]2CCC[C@@H]2O)C1 44231051 351536664 /nfs/dbraw/zinc/53/66/64/351536664.db2.gz JZLOFTIEYQJKMM-NOOOWODRSA-N 0 0 198.306 2.495 10 0 AEAERN C[C@@H]1C[C@@H]1c1nc2cccnc2[nH]1 44264657 351537396 /nfs/dbraw/zinc/53/73/96/351537396.db2.gz BISUASRMKZFZPV-RQJHMYQMSA-N 0 0 173.219 2.081 10 0 AEAERN c1coc(-c2nc3cccnc3[nH]2)c1 44264726 351537569 /nfs/dbraw/zinc/53/75/69/351537569.db2.gz RXGDUSPNSHCSNI-UHFFFAOYSA-N 0 0 185.186 2.218 10 0 AEAERN O[C@H]1CCCCC[C@@H]1OCC1CC1 44232204 351537573 /nfs/dbraw/zinc/53/75/73/351537573.db2.gz BDDLSTRNZGSNOH-QWRGUYRKSA-N 0 0 184.279 2.107 10 0 AEAERN O[C@H]1CCCCC[C@H]1OCC1CC1 44232196 351537697 /nfs/dbraw/zinc/53/76/97/351537697.db2.gz BDDLSTRNZGSNOH-WDEREUQCSA-N 0 0 184.279 2.107 10 0 AEAERN O[C@H]1CCCCCC[C@@H]1OCC1CC1 44232328 351537707 /nfs/dbraw/zinc/53/77/07/351537707.db2.gz HYYURTCMLXLZMZ-RYUDHWBXSA-N 0 0 198.306 2.497 10 0 AEAERN O[C@H]1CCCCCC[C@H]1OCC1CC1 44232332 351537772 /nfs/dbraw/zinc/53/77/72/351537772.db2.gz HYYURTCMLXLZMZ-NWDGAFQWSA-N 0 0 198.306 2.497 10 0 AEAERN O[C@@H]1CCCCC[C@H]1OCC1CC1 44232200 351537778 /nfs/dbraw/zinc/53/77/78/351537778.db2.gz BDDLSTRNZGSNOH-GHMZBOCLSA-N 0 0 184.279 2.107 10 0 AEAERN O[C@@H]1CCCCC[C@@H]1OCC1CC1 44232208 351537806 /nfs/dbraw/zinc/53/78/06/351537806.db2.gz BDDLSTRNZGSNOH-MNOVXSKESA-N 0 0 184.279 2.107 10 0 AEAERN OCCCc1cccc2ncccc12 44382325 351538281 /nfs/dbraw/zinc/53/82/81/351538281.db2.gz PZBSFKHRACKLHP-UHFFFAOYSA-N 0 0 187.242 2.160 10 0 AEAERN OCCc1ccc(NC2CCC2)cc1 44481896 351538949 /nfs/dbraw/zinc/53/89/49/351538949.db2.gz NSYLCBHHNTWUAQ-UHFFFAOYSA-N 0 0 191.274 2.186 10 0 AEAERN OCCCc1cccc2cccnc12 44382732 351538956 /nfs/dbraw/zinc/53/89/56/351538956.db2.gz AKCVIEKMRJHLQX-UHFFFAOYSA-N 0 0 187.242 2.160 10 0 AEAERN c1ccc2c3c[nH]oc-3nc2c1 45814144 351543050 /nfs/dbraw/zinc/54/30/50/351543050.db2.gz IHOBKPNWPADOAE-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN c1ccc2c(c1)cc1cc[nH]n12 45803044 351543053 /nfs/dbraw/zinc/54/30/53/351543053.db2.gz SDASQSBLIWRQLJ-UHFFFAOYSA-N 0 0 156.188 2.421 10 0 AEAERN c1nc2ccc3n[nH]cc3c2s1 45237987 351543066 /nfs/dbraw/zinc/54/30/66/351543066.db2.gz OBVBYASRAPTFFQ-UHFFFAOYSA-N 0 0 175.216 2.173 10 0 AEAERN c1cc2cc3co[nH]c3nc2c1 45814136 351543076 /nfs/dbraw/zinc/54/30/76/351543076.db2.gz IJWKWVWKJOPMKA-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN c1nc2cc3c[nH]nc3cc2s1 45237373 351543098 /nfs/dbraw/zinc/54/30/98/351543098.db2.gz BWEKGUWQBNCLBR-UHFFFAOYSA-N 0 0 175.216 2.173 10 0 AEAERN c1nc2ccc3c[nH]nc3c2s1 45237980 351543129 /nfs/dbraw/zinc/54/31/29/351543129.db2.gz XDRZGOWOPPYMAI-UHFFFAOYSA-N 0 0 175.216 2.173 10 0 AEAERN C[C@@H](O)c1cccc2scnc12 45236575 351543142 /nfs/dbraw/zinc/54/31/42/351543142.db2.gz RGKLQOBIATYNJB-ZCFIWIBFSA-N 0 0 179.244 2.350 10 0 AEAERN c1ccc2c[nH]oc-2ccnc1 45814152 351543180 /nfs/dbraw/zinc/54/31/80/351543180.db2.gz RLMPDSWTUMIDLR-UHFFFAOYSA-N 0 0 160.176 2.232 10 0 AEAERN Oc1ccc(-c2cnoc2)cc1 45814176 351543346 /nfs/dbraw/zinc/54/33/46/351543346.db2.gz JFBQOBDTCANUOZ-UHFFFAOYSA-N 0 0 161.160 2.047 10 0 AEAERN c1ccc2c(c1)[nH]c1nocc12 45814138 351543492 /nfs/dbraw/zinc/54/34/92/351543492.db2.gz XTDJYLXGFQTYHC-UHFFFAOYSA-N 0 0 158.160 2.261 10 0 AEAERN c1nc2cc3n[nH]cc3cc2s1 45237680 351543505 /nfs/dbraw/zinc/54/35/05/351543505.db2.gz MMEBWFPLMQUXHZ-UHFFFAOYSA-N 0 0 175.216 2.173 10 0 AEAERN c1nc2c(ccc3c[nH]nc32)s1 45236309 351543634 /nfs/dbraw/zinc/54/36/34/351543634.db2.gz ZXTIPWZFHJEJGN-UHFFFAOYSA-N 0 0 175.216 2.173 10 0 AEAERN c1cc2cc3c[nH]oc3nc2c1 45814141 351543714 /nfs/dbraw/zinc/54/37/14/351543714.db2.gz WXUROSOEPALRFO-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN c1ccc2nc3c[nH]cc3nc2c1 45823630 351544316 /nfs/dbraw/zinc/54/43/16/351544316.db2.gz JOBJZSHDTOEBGC-UHFFFAOYSA-N 0 0 169.187 2.111 10 0 AEAERN c1csc(-c2cc[nH]c2)n1 45823679 351544357 /nfs/dbraw/zinc/54/43/57/351544357.db2.gz DIICKNYXFADKTF-UHFFFAOYSA-N 0 0 150.206 2.138 10 0 AEAERN c1cc2c[nH+][n-]c3coc(c1)c23 45823808 351544785 /nfs/dbraw/zinc/54/47/85/351544785.db2.gz VCYIPWYBHBEKKH-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN c1ccc(NCCc2c[nH]cn2)cc1 49088978 351547403 /nfs/dbraw/zinc/54/74/03/351547403.db2.gz JNHQUQHJWWFGKK-UHFFFAOYSA-N 0 0 187.246 2.064 10 0 in-vivo AEAERN CCOc1c(C)ccc(N)c1C 50122998 351551747 /nfs/dbraw/zinc/55/17/47/351551747.db2.gz LBKPOUXKABCELS-UHFFFAOYSA-N 0 0 165.236 2.284 10 0 AEAERN O[C@H](CC1CC1)C1=CCCC1 50329099 351553440 /nfs/dbraw/zinc/55/34/40/351553440.db2.gz XBHLMCREVQZZRA-SNVBAGLBSA-N 0 0 152.237 2.258 10 0 AEAERN c1n[nH]cc1NCC1CCCC1 50271572 351553020 /nfs/dbraw/zinc/55/30/20/351553020.db2.gz JRHAYIHSAKTGLG-UHFFFAOYSA-N 0 0 165.240 2.012 10 0 AEAERN O[C@H]1CCCc2nc(C3CC3)sc21 50330793 351553178 /nfs/dbraw/zinc/55/31/78/351553178.db2.gz RGRXDNJIJFKFOL-QMMMGPOBSA-N 0 0 195.287 2.390 10 0 AEAERN O[C@H](C1=CCCCC1)[C@@H]1CCCO1 50328753 351553244 /nfs/dbraw/zinc/55/32/44/351553244.db2.gz OGECWPAPKUAUKL-WDEREUQCSA-N 0 0 182.263 2.027 10 0 AEAERN O[C@H](C1=CCCCC1)[C@H]1CCCO1 50328755 351553250 /nfs/dbraw/zinc/55/32/50/351553250.db2.gz OGECWPAPKUAUKL-GHMZBOCLSA-N 0 0 182.263 2.027 10 0 AEAERN O[C@@H]1CCCc2nc(C3CC3)sc21 50330792 351553278 /nfs/dbraw/zinc/55/32/78/351553278.db2.gz RGRXDNJIJFKFOL-MRVPVSSYSA-N 0 0 195.287 2.390 10 0 AEAERN O[C@@H]1CCCCC[C@@H]1OC1CCC1 50521290 351554567 /nfs/dbraw/zinc/55/45/67/351554567.db2.gz SLFJBROPTOEGSB-MNOVXSKESA-N 0 0 184.279 2.249 10 0 AEAERN O[C@H]1CCCCC[C@@H]1OC1CCC1 50521289 351554286 /nfs/dbraw/zinc/55/42/86/351554286.db2.gz SLFJBROPTOEGSB-QWRGUYRKSA-N 0 0 184.279 2.249 10 0 AEAERN O=Cc1cc(C2CCCCC2)[nH]n1 50478858 351554417 /nfs/dbraw/zinc/55/44/17/351554417.db2.gz SWSPQDGEGPMJKF-UHFFFAOYSA-N 0 0 178.235 2.270 10 0 AEAERN CC[C@@H](C)Oc1ccc(C)nc1N 50440945 351554563 /nfs/dbraw/zinc/55/45/63/351554563.db2.gz UDGSQTXMQTWEQC-MRVPVSSYSA-N 0 0 180.251 2.150 10 0 AEAERN O[C@H](C1=CCCC1)[C@H]1CCCCO1 50972136 351555187 /nfs/dbraw/zinc/55/51/87/351555187.db2.gz JFRBRJSGSKSUAL-GHMZBOCLSA-N 0 0 182.263 2.027 10 0 AEAERN C[C@@H]1CCC[C@@H](c2nccc(N)n2)C1 50847140 351555216 /nfs/dbraw/zinc/55/52/16/351555216.db2.gz BSPZNIVSQSMERY-RKDXNWHRSA-N 0 0 191.278 2.353 10 0 AEAERN O[C@H](c1cccs1)[C@H]1CCCCO1 50971698 351555310 /nfs/dbraw/zinc/55/53/10/351555310.db2.gz NPSJUPPNKHPRRN-SCZZXKLOSA-N 0 0 198.287 2.351 10 0 AEAERN O[C@@H](c1cccs1)[C@@H]1CCCCO1 50971692 351555588 /nfs/dbraw/zinc/55/55/88/351555588.db2.gz NPSJUPPNKHPRRN-WCBMZHEXSA-N 0 0 198.287 2.351 10 0 AEAERN O[C@H](C1=CCCC1)[C@@H]1CCCCO1 50972134 351555634 /nfs/dbraw/zinc/55/56/34/351555634.db2.gz JFRBRJSGSKSUAL-WDEREUQCSA-N 0 0 182.263 2.027 10 0 AEAERN C[C@@H]1CCC[C@H](c2nccc(N)n2)C1 50847133 351555661 /nfs/dbraw/zinc/55/56/61/351555661.db2.gz BSPZNIVSQSMERY-BDAKNGLRSA-N 0 0 191.278 2.353 10 0 AEAERN O[C@@H](c1cccs1)[C@H]1CCCCO1 50971697 351555750 /nfs/dbraw/zinc/55/57/50/351555750.db2.gz NPSJUPPNKHPRRN-PSASIEDQSA-N 0 0 198.287 2.351 10 0 AEAERN O[C@H](c1cccs1)[C@@H]1CCCCO1 50971694 351555768 /nfs/dbraw/zinc/55/57/68/351555768.db2.gz NPSJUPPNKHPRRN-WPRPVWTQSA-N 0 0 198.287 2.351 10 0 AEAERN OCCCCCOc1cccc(F)c1 51020443 351556448 /nfs/dbraw/zinc/55/64/48/351556448.db2.gz ZVZLJDQQYJNZGH-UHFFFAOYSA-N 0 0 198.237 2.367 10 0 AEAERN OCCCCCOc1ccc(F)cc1 51020437 351556590 /nfs/dbraw/zinc/55/65/90/351556590.db2.gz LXTLIBMEOCBBLU-UHFFFAOYSA-N 0 0 198.237 2.367 10 0 AEAERN OCCCCCOc1ccccc1F 51020424 351556832 /nfs/dbraw/zinc/55/68/32/351556832.db2.gz GPEADDWHYDQZHX-UHFFFAOYSA-N 0 0 198.237 2.367 10 0 AEAERN CC[C@@H](C)c1nccc(NC)n1 51690760 351559024 /nfs/dbraw/zinc/55/90/24/351559024.db2.gz FQJLNZMEEAJEIS-SSDOTTSWSA-N 0 0 165.240 2.032 10 0 AEAERN CC[C@@H](C)c1nc(N)c2c(n1)CCC2 51690778 351559232 /nfs/dbraw/zinc/55/92/32/351559232.db2.gz ZDBOWCIDJRMEDB-SSDOTTSWSA-N 0 0 191.278 2.061 10 0 AEAERN CC[C@@H](C)c1nc(C)cc(NC)n1 51690712 351559254 /nfs/dbraw/zinc/55/92/54/351559254.db2.gz DYYLKEGYJLFMJN-SSDOTTSWSA-N 0 0 179.267 2.340 10 0 AEAERN CC[C@@H](C)c1nc(C)c(C)c(N)n1 51690808 351559379 /nfs/dbraw/zinc/55/93/79/351559379.db2.gz PIJYMJRZDMBYTF-ZCFIWIBFSA-N 0 0 179.267 2.189 10 0 AEAERN CC[C@@H](C)Nc1ccnc(Cl)n1 51849329 351560666 /nfs/dbraw/zinc/56/06/66/351560666.db2.gz ZODWETKUAAUFBS-ZCFIWIBFSA-N 0 0 185.658 2.340 10 0 AEAERN C[C@@H]1CCCN1c1ccnc(Cl)n1 51849632 351560736 /nfs/dbraw/zinc/56/07/36/351560736.db2.gz GMGWYJXYHKPWQZ-SSDOTTSWSA-N 0 0 197.669 2.119 10 0 AEAERN CC[C@@H](C)N(C)c1ccnc(Cl)n1 51849455 351560737 /nfs/dbraw/zinc/56/07/37/351560737.db2.gz PRVCYDKPRSTZSZ-SSDOTTSWSA-N 0 0 199.685 2.365 10 0 AEAERN CC(C)CNc1cc(F)ccc1N 52119054 351562877 /nfs/dbraw/zinc/56/28/77/351562877.db2.gz QFOINSBYMFBZFH-UHFFFAOYSA-N 0 0 182.242 2.476 10 0 AEAERN O[C@@H]1CCCC[C@H]1CC1CCOCC1 52175136 351563391 /nfs/dbraw/zinc/56/33/91/351563391.db2.gz KOENSCDGDOKHIF-NWDGAFQWSA-N 0 0 198.306 2.354 10 0 AEAERN O[C@H]1CCCC[C@H]1CC1CCOCC1 52175133 351563397 /nfs/dbraw/zinc/56/33/97/351563397.db2.gz KOENSCDGDOKHIF-RYUDHWBXSA-N 0 0 198.306 2.354 10 0 AEAERN O[C@@H]1CCC[C@H]1OCC1CCCCC1 52156294 351563549 /nfs/dbraw/zinc/56/35/49/351563549.db2.gz NGTAIVPEBGHJIS-VXGBXAGGSA-N 0 0 198.306 2.497 10 0 AEAERN S=c1[nH]ccn1C1CCC1 52211746 351563687 /nfs/dbraw/zinc/56/36/87/351563687.db2.gz JBSWJRIYWWNKBZ-UHFFFAOYSA-N 0 0 154.238 2.271 10 0 AEAERN O[C@H]1CCC[C@@H]1OCC1CCCCC1 52156292 351563755 /nfs/dbraw/zinc/56/37/55/351563755.db2.gz NGTAIVPEBGHJIS-RYUDHWBXSA-N 0 0 198.306 2.497 10 0 AEAERN O[C@@H]1CCCC[C@@H]1CC1CCOCC1 52175140 351563970 /nfs/dbraw/zinc/56/39/70/351563970.db2.gz KOENSCDGDOKHIF-VXGBXAGGSA-N 0 0 198.306 2.354 10 0 AEAERN O=Cc1cccn1C1CCC1 52213473 351564896 /nfs/dbraw/zinc/56/48/96/351564896.db2.gz OYGRBTJFGCTHQM-UHFFFAOYSA-N 0 0 149.193 2.026 10 0 AEAERN CC[C@@H](C(=O)OC)c1cccc(F)c1 52248302 351565188 /nfs/dbraw/zinc/56/51/88/351565188.db2.gz VEUDJDLKJPWXJF-SNVBAGLBSA-N 0 0 196.221 2.492 10 0 AEAERN C[C@@H]1C[C@@H]1Nc1ccc(N)cc1F 52273782 351565500 /nfs/dbraw/zinc/56/55/00/351565500.db2.gz RXVPSKCWTABGNG-LDWIPMOCSA-N 0 0 180.226 2.228 10 0 AEAERN C[C@@H]1C[C@@H]1Nc1cc(N)cc(F)c1 52274402 351565510 /nfs/dbraw/zinc/56/55/10/351565510.db2.gz YIEWXAYRTHYRNO-LDWIPMOCSA-N 0 0 180.226 2.228 10 0 AEAERN C[C@@H]1C[C@@H]1Nc1cccc(F)c1N 52274364 351565546 /nfs/dbraw/zinc/56/55/46/351565546.db2.gz DGRLYTWDTLQERS-MUWHJKNJSA-N 0 0 180.226 2.228 10 0 AEAERN C[C@@H]1C[C@H]1Nc1cc(F)ccc1N 52274453 351565553 /nfs/dbraw/zinc/56/55/53/351565553.db2.gz YSTUCEWARKWGSQ-HZGVNTEJSA-N 0 0 180.226 2.228 10 0 AEAERN C[C@@H]1C[C@@H]1Nc1cc(F)ccc1N 52274449 351565723 /nfs/dbraw/zinc/56/57/23/351565723.db2.gz YSTUCEWARKWGSQ-MUWHJKNJSA-N 0 0 180.226 2.228 10 0 AEAERN C[C@@H]1C[C@H]1Nc1cccc(F)c1N 52274368 351565801 /nfs/dbraw/zinc/56/58/01/351565801.db2.gz DGRLYTWDTLQERS-HZGVNTEJSA-N 0 0 180.226 2.228 10 0 AEAERN C[C@@H]1C[C@H]1Nc1ccc(F)cc1N 52273695 351565817 /nfs/dbraw/zinc/56/58/17/351565817.db2.gz IFODZQYORKPKLV-LHLIQPBNSA-N 0 0 180.226 2.228 10 0 AEAERN C[C@@H]1C[C@@H]1Nc1cccc(N)c1 52273623 351565971 /nfs/dbraw/zinc/56/59/71/351565971.db2.gz HJHRKFXFFKCYCX-XCBNKYQSSA-N 0 0 162.236 2.089 10 0 AEAERN C[C@@H]1C[C@H]1Nc1cc(N)cc(F)c1 52274406 351566016 /nfs/dbraw/zinc/56/60/16/351566016.db2.gz YIEWXAYRTHYRNO-LHLIQPBNSA-N 0 0 180.226 2.228 10 0 AEAERN C[C@@H]1C[C@H]1Nc1c(F)cc(N)cc1F 52274503 351566034 /nfs/dbraw/zinc/56/60/34/351566034.db2.gz GKLJPGYBRKUEQN-MLUIRONXSA-N 0 0 198.216 2.367 10 0 AEAERN C[C@@H]1C[C@H]1Nc1cnc2ccccc2n1 52290479 351566418 /nfs/dbraw/zinc/56/64/18/351566418.db2.gz UEDSPDBIXJWVJX-LDYMZIIASA-N 0 0 199.257 2.450 10 0 AEAERN C[C@@H]1C[C@H]1Nc1ccc(F)cn1 52290649 351567011 /nfs/dbraw/zinc/56/70/11/351567011.db2.gz USXOGYGDROVISL-HTRCEHHLSA-N 0 0 166.199 2.041 10 0 AEAERN CC[C@@H](C)N(C)c1ncc(N)cc1C 52812614 351567556 /nfs/dbraw/zinc/56/75/56/351567556.db2.gz AAAYVMCPFSXBED-SECBINFHSA-N 0 0 193.294 2.207 10 0 AEAERN C[C@@H]1C[C@H]1Nc1cccc(F)n1 52297955 351567946 /nfs/dbraw/zinc/56/79/46/351567946.db2.gz HUCHOPMSNVGDJV-RNFRBKRXSA-N 0 0 166.199 2.041 10 0 AEAERN CCSCc1ccnc(NC)c1 52755854 351568019 /nfs/dbraw/zinc/56/80/19/351568019.db2.gz WZNGOSRYLMYUAH-UHFFFAOYSA-N 0 0 182.292 2.376 10 0 AEAERN C[C@@H]1C[C@@H]1Nc1cccc(F)n1 52297949 351568082 /nfs/dbraw/zinc/56/80/82/351568082.db2.gz HUCHOPMSNVGDJV-RQJHMYQMSA-N 0 0 166.199 2.041 10 0 AEAERN c1cnnc(NC2CCCCC2)c1 52815820 351568192 /nfs/dbraw/zinc/56/81/92/351568192.db2.gz SYELTYYLYNUTEU-UHFFFAOYSA-N 0 0 177.251 2.221 10 0 AEAERN CCSc1ncc(N)cc1C 52813802 351568204 /nfs/dbraw/zinc/56/82/04/351568204.db2.gz JHPJGWDWMGAIPP-UHFFFAOYSA-N 0 0 168.265 2.084 10 0 AEAERN C[C@@H]1C[C@@H]1Nc1nsnc1Cl 52297884 351568212 /nfs/dbraw/zinc/56/82/12/351568212.db2.gz KBRZKDIATRXXHO-DMTCNVIQSA-N 0 0 189.671 2.012 10 0 AEAERN C[C@@H]1C[C@H]1n1cnc2cc(N)ccc21 52853491 351568506 /nfs/dbraw/zinc/56/85/06/351568506.db2.gz OBOSGLDTTHFLNI-RDDDGLTNSA-N 0 0 187.246 2.199 10 0 AEAERN C[C@@H]1C[C@@H]1n1cnc2cc(N)ccc21 52853488 351568592 /nfs/dbraw/zinc/56/85/92/351568592.db2.gz OBOSGLDTTHFLNI-HQJQHLMTSA-N 0 0 187.246 2.199 10 0 AEAERN CC(C)C[C@@H](C)Nc1cccnn1 52816001 351568626 /nfs/dbraw/zinc/56/86/26/351568626.db2.gz NLZLTJVRGDLJMA-SECBINFHSA-N 0 0 179.267 2.323 10 0 AEAERN C[C@@H]1C[C@@H]1Nc1c(N)ccc(F)c1F 53167783 351568746 /nfs/dbraw/zinc/56/87/46/351568746.db2.gz OAIKTKVETXEKEU-XRGYYRRGSA-N 0 0 198.216 2.367 10 0 AEAERN C[C@@H]1CCCC[C@@H]1Nc1cccnn1 52815920 351568848 /nfs/dbraw/zinc/56/88/48/351568848.db2.gz QWFZATQDVFWGSF-ZJUUUORDSA-N 0 0 191.278 2.467 10 0 AEAERN C[C@@H]1CCCC[C@H]1Nc1cccnn1 52815924 351568905 /nfs/dbraw/zinc/56/89/05/351568905.db2.gz QWFZATQDVFWGSF-NXEZZACHSA-N 0 0 191.278 2.467 10 0 AEAERN C[C@@H]1C[C@H]1Nc1c(N)ccc(F)c1F 53167791 351568922 /nfs/dbraw/zinc/56/89/22/351568922.db2.gz OAIKTKVETXEKEU-SVGQVSJJSA-N 0 0 198.216 2.367 10 0 AEAERN CC[C@@H](C)[C@H](C)Nc1cccnn1 52831099 351569064 /nfs/dbraw/zinc/56/90/64/351569064.db2.gz POPYIGHKYAUITP-BDAKNGLRSA-N 0 0 179.267 2.323 10 0 AEAERN CC[C@@H](C)[C@@H](C)Nc1cccnn1 52831095 351569118 /nfs/dbraw/zinc/56/91/18/351569118.db2.gz POPYIGHKYAUITP-RKDXNWHRSA-N 0 0 179.267 2.323 10 0 AEAERN c1ccc(CNc2cccnn2)cc1 52815855 351569133 /nfs/dbraw/zinc/56/91/33/351569133.db2.gz QLBZYIJKBPLDAJ-UHFFFAOYSA-N 0 0 185.230 2.089 10 0 AEAERN c1cnnc(NCCC2CCCC2)c1 52830861 351569187 /nfs/dbraw/zinc/56/91/87/351569187.db2.gz HYQWZMDIXZSWNF-UHFFFAOYSA-N 0 0 191.278 2.469 10 0 AEAERN C[C@@H]1CCC[C@H](Nc2cccnn2)C1 52815988 351569212 /nfs/dbraw/zinc/56/92/12/351569212.db2.gz JMDPGWIVYOMONR-ZJUUUORDSA-N 0 0 191.278 2.467 10 0 AEAERN CC(C)C[C@H](C)Nc1cccnn1 52816002 351569215 /nfs/dbraw/zinc/56/92/15/351569215.db2.gz NLZLTJVRGDLJMA-VIFPVBQESA-N 0 0 179.267 2.323 10 0 AEAERN C[C@@H]1CCC[C@@H](Nc2cccnn2)C1 52815992 351569229 /nfs/dbraw/zinc/56/92/29/351569229.db2.gz JMDPGWIVYOMONR-NXEZZACHSA-N 0 0 191.278 2.467 10 0 AEAERN c1cnnc(NCC2CCCCC2)c1 52815999 351569241 /nfs/dbraw/zinc/56/92/41/351569241.db2.gz FOZZNGZICOZMON-UHFFFAOYSA-N 0 0 191.278 2.469 10 0 AEAERN CC(C)CCC(=O)c1cncnc1 52886717 351569251 /nfs/dbraw/zinc/56/92/51/351569251.db2.gz VPSSABMAIKZTMF-UHFFFAOYSA-N 0 0 178.235 2.096 10 0 AEAERN O=c1[nH]c(C2CCCC2)cs1 54078697 351571367 /nfs/dbraw/zinc/57/13/67/351571367.db2.gz HJONBYLCJAMZAH-UHFFFAOYSA-N 0 0 169.249 2.094 10 0 AEAERN CC[C@@H](C)CNc1cc(C)ncn1 54473980 351573359 /nfs/dbraw/zinc/57/33/59/351573359.db2.gz DEGGPVBGEDQBBV-MRVPVSSYSA-N 0 0 179.267 2.243 10 0 AEAERN CC[C@@H](C)CNc1ccc(N)nc1 54466726 351573405 /nfs/dbraw/zinc/57/34/05/351573405.db2.gz HFYLABNMPKLIAK-MRVPVSSYSA-N 0 0 179.267 2.122 10 0 AEAERN CC[C@@H](C)CNc1ccc(C)nn1 54474025 351573530 /nfs/dbraw/zinc/57/35/30/351573530.db2.gz WAJQUGKSLVARLF-MRVPVSSYSA-N 0 0 179.267 2.243 10 0 AEAERN CC[C@@H](C)c1ccc(NC)nn1 54931029 351576133 /nfs/dbraw/zinc/57/61/33/351576133.db2.gz LKUSGEBDXWHZJL-SSDOTTSWSA-N 0 0 165.240 2.032 10 0 AEAERN CC[C@@H](C)CNc1ccnc(C)n1 54936613 351576718 /nfs/dbraw/zinc/57/67/18/351576718.db2.gz WVCOOJISZNZTQI-MRVPVSSYSA-N 0 0 179.267 2.243 10 0 AEAERN C[C@@H]1Cc2c(Cl)cccc2C(=O)N1 57489764 351578530 /nfs/dbraw/zinc/57/85/30/351578530.db2.gz LANOHVUMCHACPW-ZCFIWIBFSA-N 0 0 195.649 2.014 10 0 AEAERN C[C@@H]1CNc2cc(F)c(F)cc2N1 57923137 351579436 /nfs/dbraw/zinc/57/94/36/351579436.db2.gz ZTPZCVUTZGFHJO-RXMQYKEDSA-N 0 0 184.189 2.191 10 0 AEAERN C1CCCCC1 59177139 351580817 /nfs/dbraw/zinc/58/08/17/351580817.db2.gz UROFTPKQEUJFCY-UHFFFAOYSA-N 0 0 83.154 2.155 10 0 in-vitro AEAERN c1ccc2[nH]c(-c3cocn3)nc2c1 59138267 351581112 /nfs/dbraw/zinc/58/11/12/351581112.db2.gz PJGUJQNCXAXVFM-UHFFFAOYSA-N 0 0 185.186 2.218 10 0 AEAERN CCCCCC 59078596 351581269 /nfs/dbraw/zinc/58/12/69/351581269.db2.gz AEXORNZGIISGOG-UHFFFAOYSA-N 0 0 85.170 2.401 10 0 in-vitro AEAERN O[C@H]1CC[C@@H](c2ccc(F)cc2)C1 58519537 351581274 /nfs/dbraw/zinc/58/12/74/351581274.db2.gz QVIYLEQKCPOJLL-KOLCDFICSA-N 0 0 180.222 2.454 10 0 AEAERN CCCCC 59179109 351581331 /nfs/dbraw/zinc/58/13/31/351581331.db2.gz JIIGCFAEDFDFJH-UHFFFAOYSA-N 0 0 71.143 2.011 10 0 in-vitro AEAERN CC(C)(O)Cc1cccs1 58517731 351581378 /nfs/dbraw/zinc/58/13/78/351581378.db2.gz ZFSQGKGHEFGPJQ-UHFFFAOYSA-N 0 0 156.250 2.062 10 0 AEAERN c1cc(-c2ncon2)c2cc[nH]c2c1 58827057 351581398 /nfs/dbraw/zinc/58/13/98/351581398.db2.gz SINSRKVFYQFMPJ-UHFFFAOYSA-N 0 0 185.186 2.218 10 0 AEAERN C[C@@H](O)c1ccc(O)c(Cl)c1 58826133 351581553 /nfs/dbraw/zinc/58/15/53/351581553.db2.gz CJNDZDPZYNNXSP-RXMQYKEDSA-N 0 0 172.611 2.099 10 0 AEAERN c1coc(C[NH2+][C@@H]2CCCSC2)c1 61570526 351582212 /nfs/dbraw/zinc/58/22/12/351582212.db2.gz XJWXRHBVRHMTKW-SECBINFHSA-N 0 0 197.303 2.265 10 0 AEAERN c1coc(C[NH2+][C@H]2CCCSC2)c1 61570531 351582551 /nfs/dbraw/zinc/58/25/51/351582551.db2.gz XJWXRHBVRHMTKW-VIFPVBQESA-N 0 0 197.303 2.265 10 0 AEAERN OCc1nc(-c2ccsc2)cs1 61802324 351583268 /nfs/dbraw/zinc/58/32/68/351583268.db2.gz CLZIXUCTBONUBG-UHFFFAOYSA-N 0 0 197.284 2.364 10 0 AEAERN O[C@@H]1CCCC[C@@H]1Cc1ccncc1 62169076 351586100 /nfs/dbraw/zinc/58/61/00/351586100.db2.gz LNTFHJPYMJTSPB-VXGBXAGGSA-N 0 0 191.274 2.175 10 0 AEAERN O[C@H]1CCCC[C@@H]1Cc1ccncc1 62169072 351586422 /nfs/dbraw/zinc/58/64/22/351586422.db2.gz LNTFHJPYMJTSPB-NEPJUHHUSA-N 0 0 191.274 2.175 10 0 AEAERN O[C@H]1CCCC[C@H]1Cc1ccncc1 62169069 351586435 /nfs/dbraw/zinc/58/64/35/351586435.db2.gz LNTFHJPYMJTSPB-RYUDHWBXSA-N 0 0 191.274 2.175 10 0 AEAERN C[C@@H]1CNc2cc(F)cc(F)c2OC1 62522513 351587063 /nfs/dbraw/zinc/58/70/63/351587063.db2.gz ANYXCQHGHFPMCV-ZCFIWIBFSA-N 0 0 199.200 2.405 10 0 AEAERN C[C@@H]1COc2c(F)cccc2N1 62498553 351587163 /nfs/dbraw/zinc/58/71/63/351587163.db2.gz BBAAYMXXKHAVFD-ZCFIWIBFSA-N 0 0 167.183 2.019 10 0 AEAERN C[C@@H]1COc2ccc(F)cc2N1 62498548 351587445 /nfs/dbraw/zinc/58/74/45/351587445.db2.gz BDSQAXWZOTXPFT-ZCFIWIBFSA-N 0 0 167.183 2.019 10 0 AEAERN O[C@H]1CCCOc2ccc(F)cc21 62566860 351587563 /nfs/dbraw/zinc/58/75/63/351587563.db2.gz KZULNOFRPULWCX-VIFPVBQESA-N 0 0 182.194 2.032 10 0 AEAERN O=Cc1ccc2c(F)ccc(F)c2n1 62567708 351588948 /nfs/dbraw/zinc/58/89/48/351588948.db2.gz PHLSHYBNZBUVQL-UHFFFAOYSA-N 0 0 193.152 2.326 10 0 AEAERN CC[C@@H](C)c1cc(NC2CC2)n[nH]1 62668951 351588999 /nfs/dbraw/zinc/58/89/99/351588999.db2.gz CMUOSYYCERQSDU-SSDOTTSWSA-N 0 0 179.267 2.498 10 0 AEAERN CCOc1cc(NC)ccc1OC 62796884 351589752 /nfs/dbraw/zinc/58/97/52/351589752.db2.gz WPRZGWUBWUIIQE-UHFFFAOYSA-N 0 0 181.235 2.136 10 0 AEAERN CCOc1cc(C)ccc1NC 62796576 351589771 /nfs/dbraw/zinc/58/97/71/351589771.db2.gz BTOHJOLCQOFXOK-UHFFFAOYSA-N 0 0 165.236 2.435 10 0 AEAERN Oc1ccc(-c2ccc(O)cn2)cc1 65355602 351591506 /nfs/dbraw/zinc/59/15/06/351591506.db2.gz VBFHEXNKPGJXDM-UHFFFAOYSA-N 0 0 187.198 2.160 10 0 AEAERN O=c1cc[nH]c(-c2ccc(F)cc2)c1 65355608 351591679 /nfs/dbraw/zinc/59/16/79/351591679.db2.gz HQZYAPZWXXMRDZ-UHFFFAOYSA-N 0 0 189.189 2.181 10 0 AEAERN Oc1cccnc1-c1ccco1 65337600 351591885 /nfs/dbraw/zinc/59/18/85/351591885.db2.gz CVSQADVVHVFWSL-UHFFFAOYSA-N 0 0 161.160 2.047 10 0 AEAERN c1ccc2c(c1)C[C@]1(c3c[nH]cn3)C[C@H]21 64549483 351591926 /nfs/dbraw/zinc/59/19/26/351591926.db2.gz FIERHAFMRVRMDV-YPMHNXCESA-N 0 0 196.253 2.391 10 0 AEAERN Oc1cncc(-c2ccco2)c1 65337603 351592013 /nfs/dbraw/zinc/59/20/13/351592013.db2.gz RYPLINZCYTXXKU-UHFFFAOYSA-N 0 0 161.160 2.047 10 0 AEAERN Oc1ccccc1-c1ncccc1O 65337625 351592054 /nfs/dbraw/zinc/59/20/54/351592054.db2.gz COVDXKJSTLHAFU-UHFFFAOYSA-N 0 0 187.198 2.160 10 0 AEAERN Oc1cccc(-c2cncc(O)c2)c1 65337634 351592303 /nfs/dbraw/zinc/59/23/03/351592303.db2.gz RCWIVJWPTPHGIY-UHFFFAOYSA-N 0 0 187.198 2.160 10 0 AEAERN O=Cc1c2c[nH]ccc-2nc1Cl 66346054 351592792 /nfs/dbraw/zinc/59/27/92/351592792.db2.gz HFKVHTWYUGEYJP-UHFFFAOYSA-N 0 0 180.594 2.029 10 0 AEAERN c1ccc(-n2ncc3cnccc32)cc1 67175730 351594275 /nfs/dbraw/zinc/59/42/75/351594275.db2.gz UYXSQDYPEKBENE-UHFFFAOYSA-N 0 0 195.225 2.421 10 0 AEAERN CC(C)C(=O)c1ccoc1 69630621 351598946 /nfs/dbraw/zinc/59/89/46/351598946.db2.gz NHFJJDHDZHFVJU-UHFFFAOYSA-N 0 0 138.166 2.118 10 0 AEAERN O[C@@H]1CCO[C@H](c2cccc(F)c2)C1 69850705 351599486 /nfs/dbraw/zinc/59/94/86/351599486.db2.gz BKMVLMSXDBRSIB-MNOVXSKESA-N 0 0 196.221 2.038 10 0 AEAERN C[C@@H]1CCCCN1c1csc(N)n1 72192584 351614476 /nfs/dbraw/zinc/61/44/76/351614476.db2.gz SZGAXIIQTDBSTI-SSDOTTSWSA-N 0 0 197.307 2.104 10 0 AEAERN C[C@@H]1CCCCN1c1cnc(N)s1 72192598 351614529 /nfs/dbraw/zinc/61/45/29/351614529.db2.gz RMRKHSFWZNEYIE-SSDOTTSWSA-N 0 0 197.307 2.104 10 0 AEAERN S=c1[nH]c2ccc(Cl)nc2[nH]1 72170717 351614686 /nfs/dbraw/zinc/61/46/86/351614686.db2.gz LHDMCRKGLAMXJH-UHFFFAOYSA-N 0 0 185.639 2.274 10 0 AEAERN Oc1ccc([C@H]2CCCOC2)cc1 72193158 351615064 /nfs/dbraw/zinc/61/50/64/351615064.db2.gz PGIGQRBQQZPTEV-JTQLQIEISA-N 0 0 178.231 2.286 10 0 AEAERN Oc1ccc([C@@H]2CCCOC2)cc1 72193157 351615119 /nfs/dbraw/zinc/61/51/19/351615119.db2.gz PGIGQRBQQZPTEV-SNVBAGLBSA-N 0 0 178.231 2.286 10 0 AEAERN Oc1cncc(-c2ccoc2)c1 72192764 351615145 /nfs/dbraw/zinc/61/51/45/351615145.db2.gz FXUHLHYKROPCMO-UHFFFAOYSA-N 0 0 161.160 2.047 10 0 AEAERN CC[C@@H](C)c1cc(Cl)nc(N)n1 72193093 351615182 /nfs/dbraw/zinc/61/51/82/351615182.db2.gz AFXNWQFEFRRIMP-RXMQYKEDSA-N 0 0 185.658 2.226 10 0 AEAERN c1cnc2cc3nc[nH]c3cc2c1 73222482 351619480 /nfs/dbraw/zinc/61/94/80/351619480.db2.gz RSOUVUBPPHFRAA-UHFFFAOYSA-N 0 0 169.187 2.111 10 0 AEAERN O=Nc1ccc(Br)cn1 73162454 351619788 /nfs/dbraw/zinc/61/97/88/351619788.db2.gz PAOSIVGYYHDTNW-UHFFFAOYSA-N 0 0 186.996 2.242 10 0 AEAERN O=C(Nc1ccccc1)NC1CCC1 74641172 351622126 /nfs/dbraw/zinc/62/21/26/351622126.db2.gz VRSSZUHOSQVMBD-UHFFFAOYSA-N 0 0 190.246 2.361 10 0 AEAERN O=Cc1csc(C2CCC2)n1 76596069 351625426 /nfs/dbraw/zinc/62/54/26/351625426.db2.gz SAIXXRATWAOCEX-UHFFFAOYSA-N 0 0 167.233 2.223 10 0 AEAERN c1cc(NC2CC2)c2nc[nH]c2c1 76599817 351625456 /nfs/dbraw/zinc/62/54/56/351625456.db2.gz JYWOSVHUTVJCTP-UHFFFAOYSA-N 0 0 173.219 2.137 10 0 AEAERN CCC(=O)N[C@@H](C)C1CCCC1 78676812 351628682 /nfs/dbraw/zinc/62/86/82/351628682.db2.gz DHSFXVHIPSHJOH-QMMMGPOBSA-N 0 0 169.268 2.091 10 0 AEAERN O[C@H]1CCc2sc(Cl)cc21 79112652 351629289 /nfs/dbraw/zinc/62/92/89/351629289.db2.gz SLOHUYPTDZQHLC-YFKPBYRVSA-N 0 0 174.652 2.381 10 0 AEAERN O[C@@H]1CCc2sc(Cl)cc21 79112653 351630165 /nfs/dbraw/zinc/63/01/65/351630165.db2.gz SLOHUYPTDZQHLC-RXMQYKEDSA-N 0 0 174.652 2.381 10 0 AEAERN CC(=O)NC1CCC(C)(C)CC1 81559210 351632118 /nfs/dbraw/zinc/63/21/18/351632118.db2.gz OPORDZUMKVUBJL-UHFFFAOYSA-N 0 0 169.268 2.091 10 0 AEAERN Cc1cccc2[nH]nc(C)c12 80905857 351632122 /nfs/dbraw/zinc/63/21/22/351632122.db2.gz MDGJXILRNQXOJY-UHFFFAOYSA-N 0 0 146.193 2.180 10 0 AEAERN CCC(=O)N1CC[C@@H](C)C[C@H]1C 81559446 351632336 /nfs/dbraw/zinc/63/23/36/351632336.db2.gz BKTGNTLQBNCWAJ-RKDXNWHRSA-N 0 0 169.268 2.043 10 0 AEAERN CC(=O)Nc1cc(F)cc(F)c1F 81559045 351632659 /nfs/dbraw/zinc/63/26/59/351632659.db2.gz UKUYAJUTQKGPGT-UHFFFAOYSA-N 0 0 189.136 2.062 10 0 AEAERN CCC(=O)NC1CCC(C)(C)CC1 81559677 351633205 /nfs/dbraw/zinc/63/32/05/351633205.db2.gz WEDXVSQHZIBBRJ-UHFFFAOYSA-N 0 0 183.295 2.481 10 0 AEAERN O=Cc1nc2cccc(Cl)c2o1 82395571 351635890 /nfs/dbraw/zinc/63/58/90/351635890.db2.gz IPBFNCSRUSNMOZ-UHFFFAOYSA-N 0 0 181.578 2.294 10 0 AEAERN O=Cc1c(Cl)ncc2cc[nH]c12 82396242 351636832 /nfs/dbraw/zinc/63/68/32/351636832.db2.gz XVJFPDDCOKAALX-UHFFFAOYSA-N 0 0 180.594 2.029 10 0 AEAERN O=Cc1cc(Cl)cc2c[nH]nc12 82396240 351637020 /nfs/dbraw/zinc/63/70/20/351637020.db2.gz COBMRCLCKOANIR-UHFFFAOYSA-N 0 0 180.594 2.029 10 0 AEAERN O=Cc1cc(Cl)c2c[nH]nc2c1 82396239 351637118 /nfs/dbraw/zinc/63/71/18/351637118.db2.gz BSKVCIUGXJYNBY-UHFFFAOYSA-N 0 0 180.594 2.029 10 0 AEAERN O=Cc1cc2[nH]ccc2nc1Cl 82396246 351637170 /nfs/dbraw/zinc/63/71/70/351637170.db2.gz OVHBAPCFEOXDIE-UHFFFAOYSA-N 0 0 180.594 2.029 10 0 AEAERN O=Cc1c(Cl)ncc2[nH]ccc12 82396247 351637216 /nfs/dbraw/zinc/63/72/16/351637216.db2.gz BGOVCKTTWFPLBC-UHFFFAOYSA-N 0 0 180.594 2.029 10 0 AEAERN CC[C@@H](C)c1ccc(N)nc1 82408369 351638168 /nfs/dbraw/zinc/63/81/68/351638168.db2.gz UCVHBDLBWYVDRW-SSDOTTSWSA-N 0 0 150.225 2.177 10 0 AEAERN CCSc1ccc(N)c(OC)c1 82523868 351639276 /nfs/dbraw/zinc/63/92/76/351639276.db2.gz ACOJTIPRIWLMHZ-UHFFFAOYSA-N 0 0 183.276 2.389 10 0 AEAERN CC[C@@H](C)[C@H](O)CC(C)C 82561572 351639290 /nfs/dbraw/zinc/63/92/90/351639290.db2.gz NXLQTSHQSAVKJB-RKDXNWHRSA-N 0 0 144.258 2.440 10 0 AEAERN CC[C@@H](C)[C@@H](O)CC(C)C 82561574 351639462 /nfs/dbraw/zinc/63/94/62/351639462.db2.gz NXLQTSHQSAVKJB-BDAKNGLRSA-N 0 0 144.258 2.440 10 0 AEAERN C[C@@H](O)c1cccc2ccncc12 82778259 351641295 /nfs/dbraw/zinc/64/12/95/351641295.db2.gz XJHWVKVPOQCBOW-MRVPVSSYSA-N 0 0 173.215 2.288 10 0 AEAERN C[C@@H](O)c1ccc2cnccc2c1 82778253 351641516 /nfs/dbraw/zinc/64/15/16/351641516.db2.gz KIXWEIBDLYNSQK-MRVPVSSYSA-N 0 0 173.215 2.288 10 0 AEAERN O=[N+]([O-])/C=C\c1ccc(F)cc1F 83313323 351644481 /nfs/dbraw/zinc/64/44/81/351644481.db2.gz CLHDUGLTLZYKRB-ARJAWSKDSA-N 0 0 185.129 2.212 10 0 AEAERN C[C@@H]1COc2cc(F)ccc2C1=O 86864033 351657188 /nfs/dbraw/zinc/65/71/88/351657188.db2.gz SDPREMONJIJSAW-ZCFIWIBFSA-N 0 0 180.178 2.037 10 0 AEAERN c1nc2cc(N3CCCC3)ccc2[nH]1 89195168 351661798 /nfs/dbraw/zinc/66/17/98/351661798.db2.gz APZDRBPCYOOGAF-UHFFFAOYSA-N 0 0 187.246 2.163 10 0 AEAERN OCCc1cccc2sccc12 89195297 351661925 /nfs/dbraw/zinc/66/19/25/351661925.db2.gz GQCRCVDVQURUBR-UHFFFAOYSA-N 0 0 178.256 2.436 10 0 AEAERN CCOc1cc(C=O)cc2[nH]ccc12 89204556 351662811 /nfs/dbraw/zinc/66/28/11/351662811.db2.gz AMKALDISMORKHT-UHFFFAOYSA-N 0 0 189.214 2.379 10 0 AEAERN c1cc2n[nH]cc2cc1OC1CCC1 89196745 351662837 /nfs/dbraw/zinc/66/28/37/351662837.db2.gz ZBMUUSGPCWUVLI-UHFFFAOYSA-N 0 0 188.230 2.494 10 0 AEAERN Oc1ccc2cc[nH]c2c1F 89209070 351662898 /nfs/dbraw/zinc/66/28/98/351662898.db2.gz ZWWNEWQGONJMCB-UHFFFAOYSA-N 0 0 151.140 2.013 10 0 AEAERN c1cncc(-c2nccc3nc[nH]c23)c1 89203011 351662941 /nfs/dbraw/zinc/66/29/41/351662941.db2.gz CKAJDZSFTKRZTM-UHFFFAOYSA-N 0 0 196.213 2.020 10 0 AEAERN c1cc(-c2ccn3ccnc3c2)ccn1 89201425 351662993 /nfs/dbraw/zinc/66/29/93/351662993.db2.gz JBLWSEJYQSQFKW-UHFFFAOYSA-N 0 0 195.225 2.396 10 0 AEAERN OCCc1ccc2ccsc2c1 89195370 351663033 /nfs/dbraw/zinc/66/30/33/351663033.db2.gz NANZJLLIORBGBU-UHFFFAOYSA-N 0 0 178.256 2.436 10 0 AEAERN OCCCCc1cccc2cc[nH]c12 89209270 351663047 /nfs/dbraw/zinc/66/30/47/351663047.db2.gz IBMGIEHVXMSXGI-UHFFFAOYSA-N 0 0 189.258 2.483 10 0 AEAERN c1ccc(-c2ccn3ccnc3c2)nc1 89201446 351663059 /nfs/dbraw/zinc/66/30/59/351663059.db2.gz AZDWSVWOEDWZSN-UHFFFAOYSA-N 0 0 195.225 2.396 10 0 AEAERN CCOc1cccc2[nH]nc(C)c12 89196247 351663092 /nfs/dbraw/zinc/66/30/92/351663092.db2.gz QWWUZYZZUNLTNP-UHFFFAOYSA-N 0 0 176.219 2.270 10 0 AEAERN c1cc2cn[nH]c2cc1N1CCCC1 89197333 351663181 /nfs/dbraw/zinc/66/31/81/351663181.db2.gz MFXRVLREKDAICN-UHFFFAOYSA-N 0 0 187.246 2.163 10 0 AEAERN c1cc(-c2nccc3nc[nH]c23)ccn1 89203006 351663211 /nfs/dbraw/zinc/66/32/11/351663211.db2.gz NDBQJZBLJVHZCQ-UHFFFAOYSA-N 0 0 196.213 2.020 10 0 AEAERN C[C@@H](O)c1cccc2cc[nH]c12 89209256 351663320 /nfs/dbraw/zinc/66/33/20/351663320.db2.gz UNTDNOYYAQIWAK-SSDOTTSWSA-N 0 0 161.204 2.221 10 0 AEAERN CC(C)C(=O)c1n[nH]c2ccccc12 89196164 351663331 /nfs/dbraw/zinc/66/33/31/351663331.db2.gz HIAYOFLLOHWBPL-UHFFFAOYSA-N 0 0 188.230 2.402 10 0 AEAERN CCSc1c(O)ccc2n[nH]cc12 89196989 351663358 /nfs/dbraw/zinc/66/33/58/351663358.db2.gz BDGRCLGWXCVCST-UHFFFAOYSA-N 0 0 194.259 2.381 10 0 AEAERN c1cc2n[nH]cc2cc1OCC1CC1 89196789 351663372 /nfs/dbraw/zinc/66/33/72/351663372.db2.gz GXTWJGOGPKOBIN-UHFFFAOYSA-N 0 0 188.230 2.352 10 0 AEAERN CCSc1nc2ccncc2o1 89211701 351663792 /nfs/dbraw/zinc/66/37/92/351663792.db2.gz OMMQIBWUDIJUOL-UHFFFAOYSA-N 0 0 180.232 2.335 10 0 AEAERN CCOc1ccc2sc(C)nc2n1 89229339 351663854 /nfs/dbraw/zinc/66/38/54/351663854.db2.gz VLIRUZXLRLVMCR-UHFFFAOYSA-N 0 0 194.259 2.398 10 0 AEAERN CC(C)=Cc1ncnc2[nH]ccc12 89223822 351663900 /nfs/dbraw/zinc/66/39/00/351663900.db2.gz JTDDVXAKLFBFMB-UHFFFAOYSA-N 0 0 173.219 2.381 10 0 AEAERN c1ccc(-c2[nH]nc3ncccc23)nc1 89224582 351663948 /nfs/dbraw/zinc/66/39/48/351663948.db2.gz SQDHRGOORALEHW-UHFFFAOYSA-N 0 0 196.213 2.020 10 0 AEAERN O=Cc1cnc2nc(Cl)sc2c1 89229330 351663955 /nfs/dbraw/zinc/66/39/55/351663955.db2.gz OFFIKMCTWPKQRM-UHFFFAOYSA-N 0 0 198.634 2.157 10 0 AEAERN c1ccc(-c2ccnc3nccn23)cc1 89229080 351663964 /nfs/dbraw/zinc/66/39/64/351663964.db2.gz VZYMZRAJPPGZKW-UHFFFAOYSA-N 0 0 195.225 2.396 10 0 AEAERN c1ccc(-n2ncc3ncccc32)cc1 89219667 351664068 /nfs/dbraw/zinc/66/40/68/351664068.db2.gz MQKIZOCAUBLFMT-UHFFFAOYSA-N 0 0 195.225 2.421 10 0 AEAERN c1ccc(-c2cnc3nccn3c2)cc1 89229075 351664267 /nfs/dbraw/zinc/66/42/67/351664267.db2.gz XSXYKIUVZFYMOH-UHFFFAOYSA-N 0 0 195.225 2.396 10 0 AEAERN C[C@@H]1N=Nc2ncnc(Cl)c21 89222833 351664336 /nfs/dbraw/zinc/66/43/36/351664336.db2.gz OZRQIDXVIIUQQQ-VKHMYHEASA-N 0 0 168.587 2.288 10 0 AEAERN c1ccc(-c2n[nH]c3c2NCCC3)cc1 90411126 351664828 /nfs/dbraw/zinc/66/48/28/351664828.db2.gz FQFDNGWPCWKWJU-UHFFFAOYSA-N 0 0 199.257 2.435 10 0 AEAERN c1ccc2c(c1)CC[C@@H]2c1c[nH]cn1 90755053 351665470 /nfs/dbraw/zinc/66/54/70/351665470.db2.gz ABBXOJTZYKLTBP-NSHDSACASA-N 0 0 184.242 2.488 10 0 AEAERN c1cc2c3nocc3sn2c1 90677135 351665549 /nfs/dbraw/zinc/66/55/49/351665549.db2.gz QMNPLAIIHNIUDO-UHFFFAOYSA-N 0 0 164.189 2.142 10 0 AEAERN c1cc2ccc3c(c2[nH]1)CCO3 91368551 351665931 /nfs/dbraw/zinc/66/59/31/351665931.db2.gz JGMWGDRTILHBMM-UHFFFAOYSA-N 0 0 159.188 2.103 10 0 AEAERN OCc1cccc2cc(Cl)ncc12 95616429 351671039 /nfs/dbraw/zinc/67/10/39/351671039.db2.gz YCKDSEOFHGMGGC-UHFFFAOYSA-N 0 0 193.633 2.381 10 0 AEAERN OCc1cccc2ccnc(Cl)c12 95616425 351671085 /nfs/dbraw/zinc/67/10/85/351671085.db2.gz FPVVBMXYMJICOX-UHFFFAOYSA-N 0 0 193.633 2.381 10 0 AEAERN OCc1cccc2cnc(Cl)cc12 95616426 351671173 /nfs/dbraw/zinc/67/11/73/351671173.db2.gz DEOSVEXFQDFIAK-UHFFFAOYSA-N 0 0 193.633 2.381 10 0 AEAERN C[C@@H](O)c1occ2ccccc12 95630429 351671255 /nfs/dbraw/zinc/67/12/55/351671255.db2.gz QIFHWBFJEOCAGJ-SSDOTTSWSA-N 0 0 162.188 2.486 10 0 AEAERN CC(C)COc1cc(F)cc(CO)c1 95739742 351672604 /nfs/dbraw/zinc/67/26/04/351672604.db2.gz RNZVARNNJZSBOI-UHFFFAOYSA-N 0 0 198.237 2.353 10 0 AEAERN c1cc2cc3nc[nH]c3cc2cn1 95923195 351675386 /nfs/dbraw/zinc/67/53/86/351675386.db2.gz ZVDZMOHQTAKBKE-UHFFFAOYSA-N 0 0 169.187 2.111 10 0 AEAERN c1nc2cc3cocc3cc2[nH]1 95922785 351675335 /nfs/dbraw/zinc/67/53/35/351675335.db2.gz KVOZJDKWALZJSF-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN c1nc2c(ccc3cocc32)[nH]1 95922879 351675443 /nfs/dbraw/zinc/67/54/43/351675443.db2.gz AMLAJYKJAOJANG-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN c1nc2cc3occc3cc2[nH]1 95923200 351675490 /nfs/dbraw/zinc/67/54/90/351675490.db2.gz FVHGHZMPSGMVNS-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN c1cc2c(ccc3[nH]cnc32)cn1 95922877 351675521 /nfs/dbraw/zinc/67/55/21/351675521.db2.gz LEAQMVWZJWRQJY-UHFFFAOYSA-N 0 0 169.187 2.111 10 0 AEAERN c1cnnc(-c2nc3ccccc3[nH]2)c1 95923056 351675528 /nfs/dbraw/zinc/67/55/28/351675528.db2.gz STFAIIPJMDVFPY-UHFFFAOYSA-N 0 0 196.213 2.020 10 0 AEAERN Oc1cccc2ccc3[nH]cnc3c12 95922964 351675540 /nfs/dbraw/zinc/67/55/40/351675540.db2.gz FGQLXZOJXULNEK-UHFFFAOYSA-N 0 0 184.198 2.422 10 0 AEAERN c1ccc2c(c1)[nH]c1nncn12 95923140 351675554 /nfs/dbraw/zinc/67/55/54/351675554.db2.gz JBMXDGPJHWHEQF-UHFFFAOYSA-N 0 0 158.164 2.091 10 0 AEAERN c1cc2ncn3ccoc(c1)c23 95922943 351675626 /nfs/dbraw/zinc/67/56/26/351675626.db2.gz PBMYPJNJTOIIQN-UHFFFAOYSA-N 0 0 158.160 2.081 10 0 AEAERN c1nc2ccc3cc[nH]cc3c2n1 95922874 351675641 /nfs/dbraw/zinc/67/56/41/351675641.db2.gz GQSHFYGCUBUDCI-UHFFFAOYSA-N 0 0 169.187 2.111 10 0 AEAERN c1ccc2c(c1)nc1n2CSN1 95923143 351675660 /nfs/dbraw/zinc/67/56/60/351675660.db2.gz HCHMTEKUBQPYNJ-UHFFFAOYSA-N 0 0 177.232 2.068 10 0 AEAERN S=C(S)c1nc2ccccc2[nH]1 95923024 351675725 /nfs/dbraw/zinc/67/57/25/351675725.db2.gz GKTZAVGIVRLMFJ-UHFFFAOYSA-N 0 0 194.284 2.168 10 0 AEAERN c1cc2[nH]c3c(ccc1-3)C2 95922935 351675765 /nfs/dbraw/zinc/67/57/65/351675765.db2.gz GBSZDXSJDZYLBG-UHFFFAOYSA-N 0 0 129.162 2.024 10 0 AEAERN c1nc2c(ccc3occc32)[nH]1 95922931 351675819 /nfs/dbraw/zinc/67/58/19/351675819.db2.gz SMTSNGPUPLUJBB-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN CCSc1ccc2[nH]c(N)[nH+]c2c1 95924219 351676195 /nfs/dbraw/zinc/67/61/95/351676195.db2.gz FCEFZMUBBPBDBN-UHFFFAOYSA-N 0 0 193.275 2.257 10 0 AEAERN c1ncc2cc3o[nH]cc3cc12 95931745 351676316 /nfs/dbraw/zinc/67/63/16/351676316.db2.gz IHNIIKPBHXVHNR-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN CCOc1ccc2c(c1)ncn2CC 95924281 351676487 /nfs/dbraw/zinc/67/64/87/351676487.db2.gz MMLBMJRNJKTOIK-UHFFFAOYSA-N 0 0 190.246 2.455 10 0 AEAERN c1cc2ccc3nocc3c2[nH]1 95931537 351676571 /nfs/dbraw/zinc/67/65/71/351676571.db2.gz UCZOPWWCEYROHU-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN c1cc2cc3c[nH]oc3cc2n1 95931744 351676601 /nfs/dbraw/zinc/67/66/01/351676601.db2.gz YLAGZBOLCBLICY-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN S=c1[nH]c2ccnc(Cl)c2[nH]1 95929987 351676729 /nfs/dbraw/zinc/67/67/29/351676729.db2.gz SVTOVOPWKKJSLO-UHFFFAOYSA-N 0 0 185.639 2.274 10 0 AEAERN c1cc2c(ccc3cnoc32)[nH]1 95931743 351676741 /nfs/dbraw/zinc/67/67/41/351676741.db2.gz RZGAFVGGRCKUDS-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN c1cc2cc3o[nH]cc3cc2n1 95931742 351676745 /nfs/dbraw/zinc/67/67/45/351676745.db2.gz ORIDJTRYSZAGJB-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN CCOc1nc2ccccc2n1CC 95924272 351676767 /nfs/dbraw/zinc/67/67/67/351676767.db2.gz VACUNFCQQGPGLK-UHFFFAOYSA-N 0 0 190.246 2.455 10 0 AEAERN CCO[C@@H](C)c1c(C)n[nH]c1C 95932115 351676796 /nfs/dbraw/zinc/67/67/96/351676796.db2.gz NRHBCPCUSZJNGW-QMMMGPOBSA-N 0 0 168.240 2.124 10 0 AEAERN c1cc2cc3ccc4cc1n2n43 95935920 351677082 /nfs/dbraw/zinc/67/70/82/351677082.db2.gz LFZMQIMOBQTTPM-UHFFFAOYSA-N 0 0 154.172 2.221 10 0 AEAERN c1nc2cc3c(cc2s1)OCOC3 95936038 351677340 /nfs/dbraw/zinc/67/73/40/351677340.db2.gz RZIQVZFMJDQMDU-UHFFFAOYSA-N 0 0 193.227 2.163 10 0 AEAERN c1cc2c(s1)NCCC2 95935498 351677559 /nfs/dbraw/zinc/67/75/59/351677559.db2.gz NYNBODLRFBHOFX-UHFFFAOYSA-N 0 0 139.223 2.106 10 0 AEAERN CCOc1cnc2[nH]ccc2c1F 95937020 351677587 /nfs/dbraw/zinc/67/75/87/351677587.db2.gz UQHBDSRYEYUHOL-UHFFFAOYSA-N 0 0 180.182 2.101 10 0 AEAERN Oc1cc(Cl)cc(-c2ncon2)c1 96102598 351679296 /nfs/dbraw/zinc/67/92/96/351679296.db2.gz QGBPWLZUTOMJKU-UHFFFAOYSA-N 0 0 196.593 2.096 10 0 AEAERN O=c1ccc(CCc2ccccc2)c[nH]1 96312073 351680526 /nfs/dbraw/zinc/68/05/26/351680526.db2.gz MSOPFXMBNXMMDC-UHFFFAOYSA-N 0 0 199.253 2.160 10 0 AEAERN O=Cc1cc(-c2ccccn2)ccc1O 96312842 351680708 /nfs/dbraw/zinc/68/07/08/351680708.db2.gz GLEQUFWHDIIBIH-UHFFFAOYSA-N 0 0 199.209 2.267 10 0 AEAERN O=Cc1cc(-c2ccoc2)ccc1O 96312904 351680835 /nfs/dbraw/zinc/68/08/35/351680835.db2.gz ZIPYLLRGAHSXIM-UHFFFAOYSA-N 0 0 188.182 2.465 10 0 AEAERN Cc1scc(C(=O)N(C)C)c1C 96755172 351683012 /nfs/dbraw/zinc/68/30/12/351683012.db2.gz RZNHOBCJCFJVRF-UHFFFAOYSA-N 0 0 183.276 2.067 10 0 AEAERN CCNC(=O)c1csc(C)c1C 96752416 351683030 /nfs/dbraw/zinc/68/30/30/351683030.db2.gz DWAVKZKYVCXTFO-UHFFFAOYSA-N 0 0 183.276 2.115 10 0 AEAERN Cc1scc(C(=O)NC2CC2)c1C 96746421 351683327 /nfs/dbraw/zinc/68/33/27/351683327.db2.gz AQXAMFWPIJHSOY-UHFFFAOYSA-N 0 0 195.287 2.257 10 0 AEAERN CSCC(=O)Nc1cccc(C)c1 96537960 351683554 /nfs/dbraw/zinc/68/35/54/351683554.db2.gz QGNMAVPCEHPUQR-UHFFFAOYSA-N 0 0 195.287 2.297 10 0 AEAERN c1cc2cn3cc2cc1C3 100045569 351687906 /nfs/dbraw/zinc/68/79/06/351687906.db2.gz LVYZVPYNBNCEJP-UHFFFAOYSA-N 0 0 129.162 2.003 10 0 AEAERN c1cnc2c(ccc3c[nH]cc32)n1 100044353 351687917 /nfs/dbraw/zinc/68/79/17/351687917.db2.gz GBMDCDUGDLSSOP-UHFFFAOYSA-N 0 0 169.187 2.111 10 0 AEAERN O=C1Cc2ccccc21 100060931 351689204 /nfs/dbraw/zinc/68/92/04/351689204.db2.gz MWHUSIKAKGHWCP-UHFFFAOYSA-N 0 0 118.135 2.056 10 0 AEAERN c1cc2cc3cc(c2cn1)C3 100095527 351690199 /nfs/dbraw/zinc/69/01/99/351690199.db2.gz UFYAFTNDGLCOHP-UHFFFAOYSA-N 0 0 141.173 2.139 10 0 AEAERN S=C=Cc1ccccc1 100184161 351691594 /nfs/dbraw/zinc/69/15/94/351691594.db2.gz AQKLQANMJQEQNC-UHFFFAOYSA-N 0 0 134.203 2.298 10 0 AEAERN c1cccn2cc[nH]cc-2cc1 100216846 351692403 /nfs/dbraw/zinc/69/24/03/351692403.db2.gz PPWWTUDQPLIFFT-UHFFFAOYSA-N 0 0 158.204 2.368 10 0 AEAERN c1ccc2c3c[nH]oc-3nc2c1 100279410 351693830 /nfs/dbraw/zinc/69/38/30/351693830.db2.gz NQMJSNZGOOPUKU-UHFFFAOYSA-N 0 0 158.160 2.261 10 0 AEAERN c1cc2c(ccc3c[nH]oc32)n1 100298631 351694336 /nfs/dbraw/zinc/69/43/36/351694336.db2.gz QINMCBGMCSLFML-UHFFFAOYSA-N 0 0 158.160 2.309 10 0 AEAERN c1cnc2c(ccc3[nH]ccc32)n1 100290223 351694337 /nfs/dbraw/zinc/69/43/37/351694337.db2.gz PVHGBNYTCJASNZ-UHFFFAOYSA-N 0 0 169.187 2.111 10 0 AEAERN c1ccc2nc3[nH]ccc3nc2c1 100290178 351694348 /nfs/dbraw/zinc/69/43/48/351694348.db2.gz HHAVZJSLYVWZKX-UHFFFAOYSA-N 0 0 169.187 2.111 10 0 AEAERN C[C@@H]1NC=Cc2ccsc21 100290453 351694362 /nfs/dbraw/zinc/69/43/62/351694362.db2.gz LQKJXDMRVCRIHY-LURJTMIESA-N 0 0 151.234 2.383 10 0 AEAERN c1cc2cc3[nH]ccnc3cc2n1 100290202 351694369 /nfs/dbraw/zinc/69/43/69/351694369.db2.gz ZEQXBOVKCSVJPK-UHFFFAOYSA-N 0 0 169.187 2.111 10 0 AEAERN c1c[nH]c2c(ccc3ccnc32)n1 100290197 351694373 /nfs/dbraw/zinc/69/43/73/351694373.db2.gz HUAQAZFEKZFDOV-UHFFFAOYSA-N 0 0 169.187 2.111 10 0 AEAERN c1c[nH]c2cc3cncc3cc2n1 100290237 351694376 /nfs/dbraw/zinc/69/43/76/351694376.db2.gz KXZYLNLLJMCJFS-UHFFFAOYSA-N 0 0 169.187 2.111 10 0 AEAERN OC[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 100342444 351694998 /nfs/dbraw/zinc/69/49/98/351694998.db2.gz HSPRVWPULGKMRC-HHKYUTTNSA-N 0 0 166.264 2.051 10 0 AEAERN O=C1CC(C(F)(F)F)=CS1 100501839 351698675 /nfs/dbraw/zinc/69/86/75/351698675.db2.gz UHCKBCZESXXFHC-UHFFFAOYSA-N 0 0 168.139 2.473 10 0 AEAERN CCC1=CSC(=O)C1 100503099 351698725 /nfs/dbraw/zinc/69/87/25/351698725.db2.gz XVHOSBCSNRWMCF-UHFFFAOYSA-N 0 0 128.196 2.016 10 0 AEAERN O=C1CC(Cl)=CS1 100502789 351698762 /nfs/dbraw/zinc/69/87/62/351698762.db2.gz ABXGFARLMVIMLY-UHFFFAOYSA-N 0 0 134.587 2.107 10 0 AEAERN O=C1CCCCC1 100634463 351700312 /nfs/dbraw/zinc/70/03/12/351700312.db2.gz QHDHNVFIKWGRJR-UHFFFAOYSA-N 0 0 98.145 2.002 10 0 AEAERN OC/C=C\C=C\c1ccccc1 138311616 351743048 /nfs/dbraw/zinc/74/30/48/351743048.db2.gz VEWUTMSLGMROMK-JJCLXCMFSA-N 0 0 160.216 2.248 10 0 AEAERN C#[N+]c1ccc(C(=O)[O-])cc1C 102218963 351706589 /nfs/dbraw/zinc/70/65/89/351706589.db2.gz RHPUSXOPAIRRET-UHFFFAOYSA-N 0 0 161.160 2.244 10 0 AEAERN O=c1ccsc2sccc12 104518182 351713567 /nfs/dbraw/zinc/71/35/67/351713567.db2.gz YWXLQNUECHMKQO-UHFFFAOYSA-N 0 0 168.242 2.323 10 0 AEAERN Cc1ccc(C)c([S@@](C)(=N)=O)c1 104466490 351713747 /nfs/dbraw/zinc/71/37/47/351713747.db2.gz CEEFKTFMYRSMJX-LBPRGKRZSA-N 0 0 183.276 2.339 10 0 AEAERN C[C@@H]1C(=O)Nc2c(Cl)cccc21 105901797 351716704 /nfs/dbraw/zinc/71/67/04/351716704.db2.gz YNDPZZOSRIXEHA-YFKPBYRVSA-N 0 0 181.622 2.396 10 0 AEAERN OCc1ccc2cccc(O)c2c1 108368651 351721731 /nfs/dbraw/zinc/72/17/31/351721731.db2.gz LOXZOVQBTCFTOJ-UHFFFAOYSA-N 0 0 174.199 2.038 10 0 AEAERN S=c1ccc2cccnc2[nH]1 114163064 351723528 /nfs/dbraw/zinc/72/35/28/351723528.db2.gz CNHCDSVCEXQHEW-UHFFFAOYSA-N 0 0 162.217 2.292 10 0 AEAERN O=C1CCC(c2nccs2)CC1 114497427 351723969 /nfs/dbraw/zinc/72/39/69/351723969.db2.gz TXGXYODPONPBDR-UHFFFAOYSA-N 0 0 181.260 2.370 10 0 AEAERN c1ccc2c(c1)NCC[C@H]2c1ncc[nH]1 114548615 351724034 /nfs/dbraw/zinc/72/40/34/351724034.db2.gz LELSSYDOWXMCEK-SNVBAGLBSA-N 0 0 199.257 2.357 10 0 AEAERN c1ccc2c(c1)NCC[C@@H]2c1ncc[nH]1 114548617 351724203 /nfs/dbraw/zinc/72/42/03/351724203.db2.gz LELSSYDOWXMCEK-JTQLQIEISA-N 0 0 199.257 2.357 10 0 AEAERN CC(C)=CCn1cccc(C)c1=O 115916444 351724920 /nfs/dbraw/zinc/72/49/20/351724920.db2.gz GMPYQRMBZZRZFJ-UHFFFAOYSA-N 0 0 177.247 2.123 10 0 AEAERN CC[C@@H](C)C[C@H](C)CCO 114929337 351725170 /nfs/dbraw/zinc/72/51/70/351725170.db2.gz HBUKPSFSXBTFFW-RKDXNWHRSA-N 0 0 144.258 2.441 10 0 AEAERN C[C@@H]1C[C@@H]1CNc1ccc(F)cn1 122792941 351727592 /nfs/dbraw/zinc/72/75/92/351727592.db2.gz MGGOXMCBUBVMLX-HTQZYQBOSA-N 0 0 180.226 2.289 10 0 AEAERN CC(C)=CCn1cnc(C)c1C 123478151 351728855 /nfs/dbraw/zinc/72/88/55/351728855.db2.gz CAPFGFPOIXIEJV-UHFFFAOYSA-N 0 0 164.252 2.466 10 0 AEAERN COC(=O)c1cc(C)c(Cl)cc1N 128077861 351733244 /nfs/dbraw/zinc/73/32/44/351733244.db2.gz QMJVDQIDPQGBCE-UHFFFAOYSA-N 0 0 199.637 2.017 10 0 AEAERN C[C@@H]1C[C@@H]1CNc1ncc(Cl)cn1 129080488 351734240 /nfs/dbraw/zinc/73/42/40/351734240.db2.gz FBBRKBMSTBLCTB-RNFRBKRXSA-N 0 0 197.669 2.198 10 0 AEAERN C[C@@H]1C[C@H]1CNc1ncc(Cl)cn1 129080904 351734267 /nfs/dbraw/zinc/73/42/67/351734267.db2.gz FBBRKBMSTBLCTB-RQJHMYQMSA-N 0 0 197.669 2.198 10 0 AEAERN c1cc(C[NH2+][C@@H]2CCCSC2)co1 129248418 351735210 /nfs/dbraw/zinc/73/52/10/351735210.db2.gz ADEWTLCMPFLOAI-SNVBAGLBSA-N 0 0 197.303 2.265 10 0 AEAERN c1cc(C[NH2+][C@H]2CCCSC2)co1 129248600 351735604 /nfs/dbraw/zinc/73/56/04/351735604.db2.gz ADEWTLCMPFLOAI-JTQLQIEISA-N 0 0 197.303 2.265 10 0 AEAERN FC(F)CNc1ccncc1Cl 131917081 351736947 /nfs/dbraw/zinc/73/69/47/351736947.db2.gz MMFAEXUONDUQAH-UHFFFAOYSA-N 0 0 192.596 2.412 10 0 AEAERN C[C@@H]1CC(C)(C)CC[C@H]1NN(C)C 134199562 351738472 /nfs/dbraw/zinc/73/84/72/351738472.db2.gz SWNILYCDBYNSQK-NXEZZACHSA-N 0 0 184.327 2.267 10 0 AEAERN C[C@H]1CC(C)(C)CC[C@@H]1NN(C)C 134199449 351738545 /nfs/dbraw/zinc/73/85/45/351738545.db2.gz SWNILYCDBYNSQK-UWVGGRQHSA-N 0 0 184.327 2.267 10 0 AEAERN C[C@@H]1CC(C)(C)CC[C@@H]1NN(C)C 134199337 351738775 /nfs/dbraw/zinc/73/87/75/351738775.db2.gz SWNILYCDBYNSQK-ZJUUUORDSA-N 0 0 184.327 2.267 10 0 AEAERN C[C@H]1CC(C)(C)CC[C@H]1NN(C)C 134199668 351738816 /nfs/dbraw/zinc/73/88/16/351738816.db2.gz SWNILYCDBYNSQK-VHSXEESVSA-N 0 0 184.327 2.267 10 0 AEAERN OCC1CC(c2ccccc2)C1 138960715 351743333 /nfs/dbraw/zinc/74/33/33/351743333.db2.gz UDBCHONGSGQBQN-UHFFFAOYSA-N 0 0 162.232 2.173 10 0 AEAERN C1=CC[C@H]2C=C[C@H]2C1 138383477 351743522 /nfs/dbraw/zinc/74/35/22/351743522.db2.gz YGGKLNYSMPPHGW-OCAPTIKFSA-N 0 0 106.168 2.139 10 0 AEAERN CC(C)=CNC(=O)c1ccccc1 138946559 351743655 /nfs/dbraw/zinc/74/36/55/351743655.db2.gz YIAKAWOAODIYAE-UHFFFAOYSA-N 0 0 175.231 2.340 10 0 AEAERN CC1(C)OC(=O)C2=C(CCCC2)O1 139520732 351744154 /nfs/dbraw/zinc/74/41/54/351744154.db2.gz GIBIDZRPNRMPKE-UHFFFAOYSA-N 0 0 182.219 2.124 10 0 AEAERN NC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 140982464 351745042 /nfs/dbraw/zinc/74/50/42/351745042.db2.gz BYOUWSHULMUNMM-GHMZBOCLSA-N 0 0 189.258 2.056 10 0 AEAERN NC(=O)[C@@H]1CCC[C@H]1c1ccccc1 140982272 351745073 /nfs/dbraw/zinc/74/50/73/351745073.db2.gz BYOUWSHULMUNMM-WDEREUQCSA-N 0 0 189.258 2.056 10 0 AEAERN NC(=O)[C@H]1CCC[C@@H]1c1ccccc1 140982115 351745252 /nfs/dbraw/zinc/74/52/52/351745252.db2.gz BYOUWSHULMUNMM-MNOVXSKESA-N 0 0 189.258 2.056 10 0 AEAERN NC(=O)[C@H]1CCC[C@H]1c1ccccc1 140981883 351745265 /nfs/dbraw/zinc/74/52/65/351745265.db2.gz BYOUWSHULMUNMM-QWRGUYRKSA-N 0 0 189.258 2.056 10 0 AEAERN CC(C)NC(=O)C1=CCCCC1 143964516 351747547 /nfs/dbraw/zinc/74/75/47/351747547.db2.gz BQYQTQOXTNLNMC-UHFFFAOYSA-N 0 0 167.252 2.011 10 0 AEAERN CCOc1ccc2c(n1)CCCC2 144448936 351747564 /nfs/dbraw/zinc/74/75/64/351747564.db2.gz IFUBSHNXVWPBCK-UHFFFAOYSA-N 0 0 177.247 2.359 10 0 AEAERN 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Nc1cccc(N[C@@H]2CCSC2)c1 231345045 351811931 /nfs/dbraw/zinc/81/19/31/351811931.db2.gz NQZFATQJYIFFNZ-SNVBAGLBSA-N 0 0 194.303 2.186 10 0 AEAERN COC(=O)c1ccc(F)c(C)c1C 231491317 351812314 /nfs/dbraw/zinc/81/23/14/351812314.db2.gz KXHKRSOYYVPUAA-UHFFFAOYSA-N 0 0 182.194 2.229 10 0 AEAERN C[C@@H]1CC[C@H](CC2(CO)CCC2)O1 232060472 351813280 /nfs/dbraw/zinc/81/32/80/351813280.db2.gz OLPCWLIEUDTLAH-NXEZZACHSA-N 0 0 184.279 2.107 10 0 AEAERN C[C@@H]1CC[C@@H](CC2(CO)CCC2)O1 232060469 351813346 /nfs/dbraw/zinc/81/33/46/351813346.db2.gz OLPCWLIEUDTLAH-ZJUUUORDSA-N 0 0 184.279 2.107 10 0 AEAERN Nc1cc(Cl)c(F)c(Cl)c1N 232060289 351813425 /nfs/dbraw/zinc/81/34/25/351813425.db2.gz AVWGHDVPTLVSKM-UHFFFAOYSA-N 0 0 195.024 2.297 10 0 AEAERN CC(C)(O)c1cccc2ccncc12 232062070 351813431 /nfs/dbraw/zinc/81/34/31/351813431.db2.gz XXLDDXOSTQZGLL-UHFFFAOYSA-N 0 0 187.242 2.462 10 0 AEAERN C[C@H]1CC[C@@H](CC2(CO)CCC2)O1 232060470 351813591 /nfs/dbraw/zinc/81/35/91/351813591.db2.gz OLPCWLIEUDTLAH-UWVGGRQHSA-N 0 0 184.279 2.107 10 0 AEAERN CCCNc1cncc(C)c1 232073066 351814049 /nfs/dbraw/zinc/81/40/49/351814049.db2.gz MPBGZVSEUGHQCN-UHFFFAOYSA-N 0 0 150.225 2.212 10 0 AEAERN Cc1cncc(N[C@H](C)C(F)F)c1 232073845 351814063 /nfs/dbraw/zinc/81/40/63/351814063.db2.gz KWPJZFPINKKNRG-SSDOTTSWSA-N 0 0 186.205 2.456 10 0 AEAERN Cc1cncc(N[C@@H](C)C(F)F)c1 232073844 351814139 /nfs/dbraw/zinc/81/41/39/351814139.db2.gz KWPJZFPINKKNRG-ZETCQYMHSA-N 0 0 186.205 2.456 10 0 AEAERN C/C=C/CC1(C(C)=O)CC1 232455566 351814543 /nfs/dbraw/zinc/81/45/43/351814543.db2.gz XLDOJVVIWGCMRK-ONEGZZNKSA-N 0 0 138.210 2.322 10 0 AEAERN Cc1ccc([C@@H]2CC(=O)N2)cc1Cl 235880344 351817119 /nfs/dbraw/zinc/81/71/19/351817119.db2.gz WVRIKOVSOHQCHK-VIFPVBQESA-N 0 0 195.649 2.209 10 0 AEAERN Cc1ccc(NC(C)(C)C2CC2)nn1 235880012 351817179 /nfs/dbraw/zinc/81/71/79/351817179.db2.gz JZQZCNVUZKNKRQ-UHFFFAOYSA-N 0 0 191.278 2.386 10 0 AEAERN Cc1ccc(NC2CC2)cc1O 235883610 351817244 /nfs/dbraw/zinc/81/72/44/351817244.db2.gz ILIZQFIJHBGCQR-UHFFFAOYSA-N 0 0 163.220 2.275 10 0 AEAERN Cc1cc(-c2nc(Cl)no2)ccn1 235874131 351817304 /nfs/dbraw/zinc/81/73/04/351817304.db2.gz JDHOJCNEOGRUDU-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN Cc1cc([C@@H](O)C2CCC2)ccn1 235878299 351817427 /nfs/dbraw/zinc/81/74/27/351817427.db2.gz UYINSFVCJRAIJJ-NSHDSACASA-N 0 0 177.247 2.224 10 0 AEAERN Cc1occc1-c1nccc(=S)[nH]1 235884947 351817456 /nfs/dbraw/zinc/81/74/56/351817456.db2.gz SFEHNLUJJRVAKQ-UHFFFAOYSA-N 0 0 192.243 2.334 10 0 AEAERN Cc1cc2c(cc1F)[nH]c(=S)n2C 235879019 351817462 /nfs/dbraw/zinc/81/74/62/351817462.db2.gz USDWRWYQFOUUGC-UHFFFAOYSA-N 0 0 196.250 2.310 10 0 AEAERN Cc1ccc(NC2CC2)c(C)n1 235883390 351817490 /nfs/dbraw/zinc/81/74/90/351817490.db2.gz FHITZLAJYTZGMC-UHFFFAOYSA-N 0 0 162.236 2.273 10 0 AEAERN Cc1ccc(-n2cccc2)cc1O 235880769 351817508 /nfs/dbraw/zinc/81/75/08/351817508.db2.gz WOMGBOAIXVIOKN-UHFFFAOYSA-N 0 0 173.215 2.491 10 0 AEAERN Cc1cc(-c2nnc(Cl)o2)ccn1 235880666 351817591 /nfs/dbraw/zinc/81/75/91/351817591.db2.gz KKQOSZMQXHAOPH-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN Cc1ccc(-c2cccc(=O)[nH]2)s1 235897968 351817904 /nfs/dbraw/zinc/81/79/04/351817904.db2.gz KFIVEBJNJFMSIX-UHFFFAOYSA-N 0 0 191.255 2.412 10 0 AEAERN Cc1ccc(F)c([C@H]2NCCS2)c1 235893361 351817941 /nfs/dbraw/zinc/81/79/41/351817941.db2.gz TYURPBHQIUFDJL-JTQLQIEISA-N 0 0 197.278 2.469 10 0 AEAERN Cc1ccc([C@H]2CC(=O)N2)cc1Cl 235893799 351818046 /nfs/dbraw/zinc/81/80/46/351818046.db2.gz WVRIKOVSOHQCHK-SECBINFHSA-N 0 0 195.649 2.209 10 0 AEAERN Cc1cc(F)c(NC2COC2)cc1F 235898171 351818098 /nfs/dbraw/zinc/81/80/98/351818098.db2.gz CDMXEYRHZHYTIW-UHFFFAOYSA-N 0 0 199.200 2.084 10 0 AEAERN CC(C)C1=NO[C@H]2CCC[C@H]12 238116011 351818445 /nfs/dbraw/zinc/81/84/45/351818445.db2.gz IPISWPVMASXWEC-YUMQZZPRSA-N 0 0 153.225 2.197 10 0 AEAERN CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]2C1 238182633 351818795 /nfs/dbraw/zinc/81/87/95/351818795.db2.gz XLUJIGHHPXUGGV-DTORHVGOSA-N 0 0 197.278 2.263 10 0 AEAERN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]2C1 238182723 351818804 /nfs/dbraw/zinc/81/88/04/351818804.db2.gz XLUJIGHHPXUGGV-IUCAKERBSA-N 0 0 197.278 2.263 10 0 AEAERN CC(=O)c1cc(C(C)C)ncc1O 238227291 351819063 /nfs/dbraw/zinc/81/90/63/351819063.db2.gz YNNWPKFFKRXWBF-UHFFFAOYSA-N 0 0 179.219 2.113 10 0 AEAERN CCO[C@@H]1CC(=O)c2ccccc21 238262847 351819405 /nfs/dbraw/zinc/81/94/05/351819405.db2.gz OJBDQUZICWSZKI-LLVKDONJSA-N 0 0 176.215 2.351 10 0 AEAERN CCOC(=O)c1ccc(Cl)c(C)n1 238263283 351819407 /nfs/dbraw/zinc/81/94/07/351819407.db2.gz QIANUBVBTYKWIX-UHFFFAOYSA-N 0 0 199.637 2.220 10 0 AEAERN CC[C@H]1C[C@H](CCO)C1(C)C 238266014 351819454 /nfs/dbraw/zinc/81/94/54/351819454.db2.gz IRIXPLUBWVGDDU-IUCAKERBSA-N 0 0 156.269 2.441 10 0 AEAERN CCOc1cc(CC)cc(CO)c1F 238264418 351819491 /nfs/dbraw/zinc/81/94/91/351819491.db2.gz NFQDUDSWMRBENF-UHFFFAOYSA-N 0 0 198.237 2.279 10 0 AEAERN CCOC(=O)c1ccc(O)c(C)c1C 238264628 351819602 /nfs/dbraw/zinc/81/96/02/351819602.db2.gz ZUHMKSAXKZVUEZ-UHFFFAOYSA-N 0 0 194.230 2.186 10 0 AEAERN CCNc1cc(C2CC2)nc(Cl)n1 238262921 351819626 /nfs/dbraw/zinc/81/96/26/351819626.db2.gz NIUIIHLTQJEKCP-UHFFFAOYSA-N 0 0 197.669 2.439 10 0 AEAERN CC[C@@H](CCO)C(=O)c1ccccc1 238264462 351819660 /nfs/dbraw/zinc/81/96/60/351819660.db2.gz TXROACHGEVPCMD-JTQLQIEISA-N 0 0 192.258 2.278 10 0 AEAERN CCc1cc(Cl)n(C2CC2)n1 238308510 351820129 /nfs/dbraw/zinc/82/01/29/351820129.db2.gz NPYAAOFOJVSVEJ-UHFFFAOYSA-N 0 0 170.643 2.434 10 0 AEAERN CN(c1cc(Cl)ncn1)C(C)(C)C 238309250 351820494 /nfs/dbraw/zinc/82/04/94/351820494.db2.gz CJLIJXYIZMENDA-UHFFFAOYSA-N 0 0 199.685 2.365 10 0 AEAERN C[C@@](O)(c1ccccc1)c1ccc[nH]1 238471343 351822052 /nfs/dbraw/zinc/82/20/52/351822052.db2.gz MOVIXNCPKXWOBB-GFCCVEGCSA-N 0 0 187.242 2.271 10 0 AEAERN Cc1ccc(SCOCCO)cc1 238472348 351822063 /nfs/dbraw/zinc/82/20/63/351822063.db2.gz BYINSLIBBUTSKP-UHFFFAOYSA-N 0 0 198.287 2.054 10 0 AEAERN Cc1ccnc(OC(F)(F)F)c1F 238472605 351822076 /nfs/dbraw/zinc/82/20/76/351822076.db2.gz QGCHSJHQYVWGLA-UHFFFAOYSA-N 0 0 195.115 2.428 10 0 AEAERN O=C1CCc2ccc(OC3CC3)cc21 238617140 351823321 /nfs/dbraw/zinc/82/33/21/351823321.db2.gz MPPMQTYDJYDQEF-UHFFFAOYSA-N 0 0 188.226 2.357 10 0 AEAERN OC[C@@H]1CCc2cc(Cl)ccc2O1 238681096 351823647 /nfs/dbraw/zinc/82/36/47/351823647.db2.gz GCSPMIWBXOAGSC-VIFPVBQESA-N 0 0 198.649 2.026 10 0 AEAERN C[C@@H]1N=N[C@@H]2[C@@H]3CCC[C@H]3[C@H]12 256414120 351848494 /nfs/dbraw/zinc/84/84/94/351848494.db2.gz FCFNLRNWHARCAJ-JTPBWFLFSA-N 0 0 150.225 2.255 10 0 AEAERN Nc1ccc(Cl)cc1[C@@H](O)C1CC1 257813308 351850509 /nfs/dbraw/zinc/85/05/09/351850509.db2.gz CBSIUYHQKIHTHG-JTQLQIEISA-N 0 0 197.665 2.366 10 0 AEAERN CC(C)c1ncc(N)c(C(C)C)n1 257814575 351850569 /nfs/dbraw/zinc/85/05/69/351850569.db2.gz CMLXHMMRZKPOSP-UHFFFAOYSA-N 0 0 179.267 2.306 10 0 AEAERN Nc1ccc(Cl)cc1[C@H](O)C1CC1 257813309 351850745 /nfs/dbraw/zinc/85/07/45/351850745.db2.gz CBSIUYHQKIHTHG-SNVBAGLBSA-N 0 0 197.665 2.366 10 0 AEAERN CC(C)[C@H](O)c1cccc(F)c1N 257821346 351851190 /nfs/dbraw/zinc/85/11/90/351851190.db2.gz FWPDKDMPAYQFFQ-JTQLQIEISA-N 0 0 183.226 2.097 10 0 AEAERN Cc1ccc(N)c([C@H](O)C2CC2)c1 257824043 351851304 /nfs/dbraw/zinc/85/13/04/351851304.db2.gz GQNVMGBIRJYTSI-LLVKDONJSA-N 0 0 177.247 2.021 10 0 AEAERN CC(C)[C@@H](O)c1cccc(F)c1N 257821347 351851328 /nfs/dbraw/zinc/85/13/28/351851328.db2.gz FWPDKDMPAYQFFQ-SNVBAGLBSA-N 0 0 183.226 2.097 10 0 AEAERN Cc1ccc(N)c([C@@H](O)C2CC2)c1 257824044 351851409 /nfs/dbraw/zinc/85/14/09/351851409.db2.gz GQNVMGBIRJYTSI-NSHDSACASA-N 0 0 177.247 2.021 10 0 AEAERN CC(C)(C)C(C)(C)c1nnc(N)s1 257841874 351852712 /nfs/dbraw/zinc/85/27/12/351852712.db2.gz BWIVTVJNNZTNCU-UHFFFAOYSA-N 0 0 199.323 2.444 10 0 AEAERN CCN1CCNc2cccc(F)c21 257848238 351852947 /nfs/dbraw/zinc/85/29/47/351852947.db2.gz APOAOZALMOXWMO-UHFFFAOYSA-N 0 0 180.226 2.078 10 0 AEAERN CCc1cc(C=O)c(F)cc1F 257911477 351854630 /nfs/dbraw/zinc/85/46/30/351854630.db2.gz AKHUDGXCWCPMEU-UHFFFAOYSA-N 0 0 170.158 2.340 10 0 AEAERN CSCc1nccn1C(C)C 257914643 351854783 /nfs/dbraw/zinc/85/47/83/351854783.db2.gz QHIUKAWKRMQITN-UHFFFAOYSA-N 0 0 170.281 2.327 10 0 AEAERN CCc1cc(N)c(C)cc1OC 257911657 351854815 /nfs/dbraw/zinc/85/48/15/351854815.db2.gz ANYAJVSLMBECJH-UHFFFAOYSA-N 0 0 165.236 2.148 10 0 AEAERN Cc1c[nH]c(N2CCCCCC2)n1 257905081 351854981 /nfs/dbraw/zinc/85/49/81/351854981.db2.gz ORBUODFAPJQNQN-UHFFFAOYSA-N 0 0 179.267 2.099 10 0 AEAERN CCc1oc(N)nc1C1CCCC1 257930829 351855395 /nfs/dbraw/zinc/85/53/95/351855395.db2.gz SWRCLXCOMPTHRQ-UHFFFAOYSA-N 0 0 180.251 2.477 10 0 AEAERN CCn1ccnc1N1CCCCCC1 257928784 351855431 /nfs/dbraw/zinc/85/54/31/351855431.db2.gz SSZKCEKSFDZHLL-UHFFFAOYSA-N 0 0 193.294 2.283 10 0 AEAERN O=Cc1cnc([C@@H]2CCSC2)s1 258012640 351857406 /nfs/dbraw/zinc/85/74/06/351857406.db2.gz HGWLQLDOQLUDSX-ZCFIWIBFSA-N 0 0 199.300 2.176 10 0 AEAERN Cc1ccc(CO)c(Cl)c1F 258026803 351857434 /nfs/dbraw/zinc/85/74/34/351857434.db2.gz OSULATFVNXIBID-UHFFFAOYSA-N 0 0 174.602 2.280 10 0 AEAERN COc1cc(C(C)=O)c(F)cc1F 258033204 351857464 /nfs/dbraw/zinc/85/74/64/351857464.db2.gz JBSGMQGUOCYPQX-UHFFFAOYSA-N 0 0 186.157 2.176 10 0 AEAERN O=Cc1cnc([C@H]2CCSC2)s1 258012639 351857550 /nfs/dbraw/zinc/85/75/50/351857550.db2.gz HGWLQLDOQLUDSX-LURJTMIESA-N 0 0 199.300 2.176 10 0 AEAERN COc1cc(F)cc(OC)c1C(C)=O 258011540 351857640 /nfs/dbraw/zinc/85/76/40/351857640.db2.gz HMIBJGKRBBMFNP-UHFFFAOYSA-N 0 0 198.193 2.046 10 0 AEAERN CC1(c2nnc(C=O)s2)CCCC1 258014813 351857659 /nfs/dbraw/zinc/85/76/59/351857659.db2.gz HLBZSCURERGWNI-UHFFFAOYSA-N 0 0 196.275 2.182 10 0 AEAERN CCc1cc(F)c(F)c(CO)c1 258066769 351857940 /nfs/dbraw/zinc/85/79/40/351857940.db2.gz TWTSHFNQOFHRGA-UHFFFAOYSA-N 0 0 172.174 2.020 10 0 AEAERN CCc1ccc(F)c(CO)c1F 258052340 351857951 /nfs/dbraw/zinc/85/79/51/351857951.db2.gz ROAQOTXFCGOVEK-UHFFFAOYSA-N 0 0 172.174 2.020 10 0 AEAERN COc1cc(C(C)=O)cc(F)c1OC 258056292 351858119 /nfs/dbraw/zinc/85/81/19/351858119.db2.gz LBFMIDYBUNAYSD-UHFFFAOYSA-N 0 0 198.193 2.046 10 0 AEAERN CCc1ccc(F)c(C=O)c1F 258039710 351858150 /nfs/dbraw/zinc/85/81/50/351858150.db2.gz QAWQJMAWSNQTHI-UHFFFAOYSA-N 0 0 170.158 2.340 10 0 AEAERN OCC[C@H]1COc2ccc(Cl)cc21 258054828 351858194 /nfs/dbraw/zinc/85/81/94/351858194.db2.gz LLMMGYWNRNXWMP-ZETCQYMHSA-N 0 0 198.649 2.198 10 0 AEAERN OCC[C@@H]1COc2ccc(Cl)cc21 258054825 351858445 /nfs/dbraw/zinc/85/84/45/351858445.db2.gz LLMMGYWNRNXWMP-SSDOTTSWSA-N 0 0 198.649 2.198 10 0 AEAERN CC(C)(c1nnc(N)s1)C1CCC1 258091429 351858803 /nfs/dbraw/zinc/85/88/03/351858803.db2.gz NDVHWBRBJJUBQC-UHFFFAOYSA-N 0 0 197.307 2.198 10 0 AEAERN CCc1cc(CO)c(F)cc1F 258082449 351858946 /nfs/dbraw/zinc/85/89/46/351858946.db2.gz VWZXFMHKKLDIPN-UHFFFAOYSA-N 0 0 172.174 2.020 10 0 AEAERN Cc1cc([C@@H](C)O)c(C)cc1F 258080347 351858949 /nfs/dbraw/zinc/85/89/49/351858949.db2.gz VLRXPVHVTVAXGK-MRVPVSSYSA-N 0 0 168.211 2.496 10 0 AEAERN c1ccn2cc([C@@H]3CCCO3)nc2c1 258090994 351859000 /nfs/dbraw/zinc/85/90/00/351859000.db2.gz XIKQMOFHHCZVQX-JTQLQIEISA-N 0 0 188.230 2.186 10 0 AEAERN CC(C)(O)c1ccc2cnccc2c1 258078211 351859054 /nfs/dbraw/zinc/85/90/54/351859054.db2.gz MYDARDUVPIQNEW-UHFFFAOYSA-N 0 0 187.242 2.462 10 0 AEAERN Cc1cc([C@H](C)O)c(C)cc1F 258080350 351859079 /nfs/dbraw/zinc/85/90/79/351859079.db2.gz VLRXPVHVTVAXGK-QMMMGPOBSA-N 0 0 168.211 2.496 10 0 AEAERN COc1cccc(C(C)(C)O)c1C 258092588 351859139 /nfs/dbraw/zinc/85/91/39/351859139.db2.gz WYSLCQFDIUWMAR-UHFFFAOYSA-N 0 0 180.247 2.231 10 0 in-vitro AEAERN c1ccn2cc([C@H]3CCCO3)nc2c1 258091000 351859157 /nfs/dbraw/zinc/85/91/57/351859157.db2.gz XIKQMOFHHCZVQX-SNVBAGLBSA-N 0 0 188.230 2.186 10 0 AEAERN COc1cc(OC)c(F)c(C(C)=O)c1 258155324 351859563 /nfs/dbraw/zinc/85/95/63/351859563.db2.gz UKZVIDUUUMBWCU-UHFFFAOYSA-N 0 0 198.193 2.046 10 0 AEAERN OC1(CCC2CCOCC2)CCCC1 258149279 351859728 /nfs/dbraw/zinc/85/97/28/351859728.db2.gz WAARBYDLZPMZTI-UHFFFAOYSA-N 0 0 198.306 2.498 10 0 AEAERN O=Cc1csc([C@H]2CCCCO2)n1 258167676 351860302 /nfs/dbraw/zinc/86/03/02/351860302.db2.gz UATBUNHWNDDSKF-MRVPVSSYSA-N 0 0 197.259 2.197 10 0 AEAERN CC(C)(C)CCC1(O)CC1 258213906 351860328 /nfs/dbraw/zinc/86/03/28/351860328.db2.gz 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/nfs/dbraw/zinc/17/16/15/352171615.db2.gz JAGULRCFQZQGDV-SNVBAGLBSA-N 0 0 195.306 2.434 10 0 AEAERN CC(C)N(C)C(=O)[C@@H]1CCCC12CC2 527835388 352171892 /nfs/dbraw/zinc/17/18/92/352171892.db2.gz JAGULRCFQZQGDV-JTQLQIEISA-N 0 0 195.306 2.434 10 0 AEAERN CN(C(=O)[C@H]1CCCC12CC2)C1CC1 527906431 352173385 /nfs/dbraw/zinc/17/33/85/352173385.db2.gz XMJOGDQUUWXGBC-SNVBAGLBSA-N 0 0 193.290 2.188 10 0 AEAERN CN(C(=O)[C@@H]1CCCC12CC2)C1CC1 527906430 352173413 /nfs/dbraw/zinc/17/34/13/352173413.db2.gz XMJOGDQUUWXGBC-JTQLQIEISA-N 0 0 193.290 2.188 10 0 AEAERN COc1cccnc1NCC[C@@H](C)F 528024954 352174920 /nfs/dbraw/zinc/17/49/20/352174920.db2.gz IIEGRZOABYQJRI-MRVPVSSYSA-N 0 0 198.241 2.250 10 0 AEAERN C1=CCC(CNc2ccccn2)C1 528112811 352175328 /nfs/dbraw/zinc/17/53/28/352175328.db2.gz GLBLOXZRWUAVPP-UHFFFAOYSA-N 0 0 174.247 2.460 10 0 AEAERN Cc1noc([C@@H]2CCCC23CC3)n1 528066684 352175669 /nfs/dbraw/zinc/17/56/69/352175669.db2.gz KINOLLJFYIUYOO-QMMMGPOBSA-N 0 0 178.235 2.426 10 0 AEAERN CCCN(C)C(=O)[C@@H]1CCCC12CC2 528305044 352176094 /nfs/dbraw/zinc/17/60/94/352176094.db2.gz OGERALIJSHCFEA-JTQLQIEISA-N 0 0 195.306 2.435 10 0 AEAERN CC1(C)CC(Cn2ccnc2)C1 528402999 352177841 /nfs/dbraw/zinc/17/78/41/352177841.db2.gz JOJFDAZWGLPXQX-UHFFFAOYSA-N 0 0 164.252 2.319 10 0 AEAERN C[C@@H]1COCC[N@@H+]1CC1CC(C)(C)C1 528479292 352178357 /nfs/dbraw/zinc/17/83/57/352178357.db2.gz WEOKPBFWTHEPHR-SNVBAGLBSA-N 0 0 197.322 2.143 10 0 AEAERN CC(=O)NCC(C1CCC1)C1CCC1 528449900 352178935 /nfs/dbraw/zinc/17/89/35/352178935.db2.gz JQOSCGXCFDOOLB-UHFFFAOYSA-N 0 0 195.306 2.339 10 0 AEAERN O=C(NC1CCC1)[C@H]1CCCC12CC2 528465205 352179086 /nfs/dbraw/zinc/17/90/86/352179086.db2.gz NIFGBKDZKSDUNC-SNVBAGLBSA-N 0 0 193.290 2.235 10 0 AEAERN CCC(NC(C)=O)(C1CC1)C1CC1 528493368 352179372 /nfs/dbraw/zinc/17/93/72/352179372.db2.gz UQYHAJKSUQLTOB-UHFFFAOYSA-N 0 0 181.279 2.091 10 0 AEAERN CCC(=O)NCC[C@@H]1CC=CCC1 528531225 352179827 /nfs/dbraw/zinc/17/98/27/352179827.db2.gz XGBVCKDCYZTTAO-SNVBAGLBSA-N 0 0 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/nfs/dbraw/zinc/18/24/54/352182454.db2.gz VKZJBXDNSWVIFM-SECBINFHSA-N 0 0 197.278 2.023 10 0 AEAERN CCCONC(=O)[C@H]1CCCC12CC2 529509437 352182512 /nfs/dbraw/zinc/18/25/12/352182512.db2.gz HPJMLIHVPCKXIS-SECBINFHSA-N 0 0 197.278 2.025 10 0 AEAERN Cc1cocc1C(=O)N1C[C@@H](C)[C@H]1C 529426397 352182546 /nfs/dbraw/zinc/18/25/46/352182546.db2.gz FUKNTAIPTVSWBM-VXNVDRBHSA-N 0 0 193.246 2.068 10 0 AEAERN Cc1cocc1C(=O)N1C[C@H](C)[C@@H]1C 529426395 352182618 /nfs/dbraw/zinc/18/26/18/352182618.db2.gz FUKNTAIPTVSWBM-CBAPKCEASA-N 0 0 193.246 2.068 10 0 AEAERN C=C=CCNC(=O)[C@@H]1CCCC12CC2 529411483 352182696 /nfs/dbraw/zinc/18/26/96/352182696.db2.gz JMTQVAWXLFKWNC-JTQLQIEISA-N 0 0 191.274 2.024 10 0 AEAERN Cc1cocc1C(=O)N1C[C@@H](C)[C@@H]1C 529426394 352182701 /nfs/dbraw/zinc/18/27/01/352182701.db2.gz FUKNTAIPTVSWBM-APPZFPTMSA-N 0 0 193.246 2.068 10 0 AEAERN Cc1cocc1C(=O)N1C[C@H](C)[C@H]1C 529426396 352182738 /nfs/dbraw/zinc/18/27/38/352182738.db2.gz FUKNTAIPTVSWBM-IONNQARKSA-N 0 0 193.246 2.068 10 0 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/nfs/dbraw/zinc/19/35/92/352193592.db2.gz FTLRGPLEFCCJQF-XVKPBYJWSA-N 0 0 163.286 2.242 10 0 AEAERN CCC[S@@](=N)(=O)CCC(C)C 536957408 352193618 /nfs/dbraw/zinc/19/36/18/352193618.db2.gz GKPLTISZGNBWOJ-LLVKDONJSA-N 0 0 177.313 2.489 10 0 AEAERN CCC[S@](=N)(=O)C[C@H](C)CC 536957509 352193661 /nfs/dbraw/zinc/19/36/61/352193661.db2.gz HISBHRRJUXTSNE-KCJUWKMLSA-N 0 0 177.313 2.489 10 0 AEAERN CCC[S@@](=N)(=O)C[C@@H](C)CC 536957508 352193797 /nfs/dbraw/zinc/19/37/97/352193797.db2.gz HISBHRRJUXTSNE-GZMMTYOYSA-N 0 0 177.313 2.489 10 0 AEAERN CCC[S@](=N)(=O)CC(C)C 536958270 352194196 /nfs/dbraw/zinc/19/41/96/352194196.db2.gz NFEBCIUMAKIQJG-JTQLQIEISA-N 0 0 163.286 2.099 10 0 AEAERN CCC[S@@](=N)(=O)CC(C)C 536958272 352194253 /nfs/dbraw/zinc/19/42/53/352194253.db2.gz NFEBCIUMAKIQJG-SNVBAGLBSA-N 0 0 163.286 2.099 10 0 AEAERN COc1ccc(F)c(F)c1 575114462 352195490 /nfs/dbraw/zinc/19/54/90/352195490.db2.gz YSISUCRSBGVVOU-UHFFFAOYSA-N 0 0 143.112 2.040 10 0 AEAERN CCOC(OCC)c1ccccc1 575114454 352195534 /nfs/dbraw/zinc/19/55/34/352195534.db2.gz PEDOTCKNGRRZNT-UHFFFAOYSA-N 0 0 179.239 2.241 10 0 AEAERN FC(F)(F)c1ccccc1 575123908 352195539 /nfs/dbraw/zinc/19/55/39/352195539.db2.gz KOMRAAZWOJLYCG-UHFFFAOYSA-N 0 0 145.103 2.404 10 0 AEAERN COc1cccc(F)c1F 575114447 352195570 /nfs/dbraw/zinc/19/55/70/352195570.db2.gz JKTSVBRWVGXLAX-UHFFFAOYSA-N 0 0 143.112 2.040 10 0 AEAERN c1ccc2ncccc2c1 575110645 352195588 /nfs/dbraw/zinc/19/55/88/352195588.db2.gz JLIVYIHQCAZYMA-UHFFFAOYSA-N 0 0 129.162 2.238 10 0 AEAERN CCCOc1ccccc1 575114450 352195754 /nfs/dbraw/zinc/19/57/54/352195754.db2.gz LSCQECPIDUITAP-UHFFFAOYSA-N 0 0 135.186 2.226 10 0 AEAERN COc1ccc(Cl)cc1 575110639 352195762 /nfs/dbraw/zinc/19/57/62/352195762.db2.gz GAKXVMMBHSAUIH-UHFFFAOYSA-N 0 0 141.577 2.012 10 0 AEAERN c1ccc(COCC2CC2)cc1 575191151 352196006 /nfs/dbraw/zinc/19/60/06/352196006.db2.gz HFHSJBIAETWEGJ-UHFFFAOYSA-N 0 0 161.224 2.269 10 0 AEAERN CCOCCOc1ccc(Cl)cc1 575191116 352196044 /nfs/dbraw/zinc/19/60/44/352196044.db2.gz CEFAYVODQSIFLW-UHFFFAOYSA-N 0 0 199.657 2.419 10 0 AEAERN c1ccc(COC[C@@H]2CCCO2)cc1 575191105 352196121 /nfs/dbraw/zinc/19/61/21/352196121.db2.gz BGAARTVBIDWTAX-LBPRGKRZSA-N 0 0 191.250 2.038 10 0 AEAERN COc1ccccc1Br 575180721 352196141 /nfs/dbraw/zinc/19/61/41/352196141.db2.gz UZPPTMJOEXRYBD-UHFFFAOYSA-N 0 0 186.028 2.168 10 0 AEAERN Clc1ccc(Cl)nc1 575182118 352196178 /nfs/dbraw/zinc/19/61/78/352196178.db2.gz SIDBEPCAVMPQCV-UHFFFAOYSA-N 0 0 146.984 2.077 10 0 AEAERN CCOCCOc1ccc(F)cc1 575191144 352196212 /nfs/dbraw/zinc/19/62/12/352196212.db2.gz GQRLHLFCOLMKEH-UHFFFAOYSA-N 0 0 183.202 2.150 10 0 AEAERN c1ccc(COC[C@H]2CCCO2)cc1 575191104 352196342 /nfs/dbraw/zinc/19/63/42/352196342.db2.gz BGAARTVBIDWTAX-GFCCVEGCSA-N 0 0 191.250 2.038 10 0 AEAERN CCOCCOc1cccc(F)c1 575191183 352196383 /nfs/dbraw/zinc/19/63/83/352196383.db2.gz LOUUYEZQSNLCLT-UHFFFAOYSA-N 0 0 183.202 2.150 10 0 AEAERN COc1ccccc1OCC(C)C 575191159 352196424 /nfs/dbraw/zinc/19/64/24/352196424.db2.gz IRQITUUAXNFQJQ-UHFFFAOYSA-N 0 0 179.239 2.446 10 0 AEAERN CCOCCOc1ccccc1F 575191161 352196429 /nfs/dbraw/zinc/19/64/29/352196429.db2.gz IZQIRWIIRMFMRY-UHFFFAOYSA-N 0 0 183.202 2.150 10 0 AEAERN CCCOc1ccccc1OC 575191268 352196774 /nfs/dbraw/zinc/19/67/74/352196774.db2.gz WKBFZXQALZSBCI-UHFFFAOYSA-N 0 0 165.212 2.200 10 0 AEAERN CCOCCOc1cccc(C)c1 575191280 352196866 /nfs/dbraw/zinc/19/68/66/352196866.db2.gz YJTIVMXANSUVDU-UHFFFAOYSA-N 0 0 179.239 2.243 10 0 AEAERN CCOCCOc1ccccc1C 575191275 352196868 /nfs/dbraw/zinc/19/68/68/352196868.db2.gz WXPCSRJHAIERMZ-UHFFFAOYSA-N 0 0 179.239 2.243 10 0 AEAERN COc1ccccc1OC(C)C 575191191 352196888 /nfs/dbraw/zinc/19/68/88/352196888.db2.gz MRNFARQSMIEJCC-UHFFFAOYSA-N 0 0 165.212 2.199 10 0 AEAERN CCOCCOc1ccccc1Cl 575191212 352196910 /nfs/dbraw/zinc/19/69/10/352196910.db2.gz QHJVFVZFCQSJOO-UHFFFAOYSA-N 0 0 199.657 2.419 10 0 AEAERN FCCCOCc1ccccc1 575191317 352196985 /nfs/dbraw/zinc/19/69/85/352196985.db2.gz OCYYPFJXOGUXQS-UHFFFAOYSA-N 0 0 167.203 2.218 10 0 AEAERN FC(F)COCc1ccccc1 575191312 352196991 /nfs/dbraw/zinc/19/69/91/352196991.db2.gz LVAQAYFWHWLETA-UHFFFAOYSA-N 0 0 171.166 2.124 10 0 AEAERN CCOCCOc1ccc(C)cc1 575191190 352197002 /nfs/dbraw/zinc/19/70/02/352197002.db2.gz MQYKUUSQXYQYRJ-UHFFFAOYSA-N 0 0 179.239 2.243 10 0 AEAERN CCOCCOc1ccccc1F 575191199 352197016 /nfs/dbraw/zinc/19/70/16/352197016.db2.gz OAVFLHPLMDLHME-UHFFFAOYSA-N 0 0 183.202 2.150 10 0 AEAERN Fc1ccc(F)c(F)c1 575356852 352197357 /nfs/dbraw/zinc/19/73/57/352197357.db2.gz FRKILMSHESJWOQ-UHFFFAOYSA-N 0 0 131.076 2.363 10 0 AEAERN N#Cc1ccccc1Cl 575356983 352197549 /nfs/dbraw/zinc/19/75/49/352197549.db2.gz QPPHELCGXIKHRV-UHFFFAOYSA-N 0 0 137.569 2.009 10 0 AEAERN FC(F)(F)c1ccc(Cl)nc1 575356874 352197555 /nfs/dbraw/zinc/19/75/55/352197555.db2.gz JCZZMXFZZZONND-UHFFFAOYSA-N 0 0 180.536 2.443 10 0 AEAERN FC(F)(F)Oc1ccccc1 575356887 352197647 /nfs/dbraw/zinc/19/76/47/352197647.db2.gz KRIXXQDGQITBAP-UHFFFAOYSA-N 0 0 161.102 2.336 10 0 AEAERN C=Cc1ccccc1 575356856 352197688 /nfs/dbraw/zinc/19/76/88/352197688.db2.gz GIUXKDACMBSUBG-UHFFFAOYSA-N 0 0 103.144 2.028 10 0 AEAERN Clc1cccnc1Cl 575356991 352197724 /nfs/dbraw/zinc/19/77/24/352197724.db2.gz RCIQLWPWBHIHEA-UHFFFAOYSA-N 0 0 146.984 2.077 10 0 AEAERN Clc1cc2ccccc2cn1 575330412 352197764 /nfs/dbraw/zinc/19/77/64/352197764.db2.gz YWFUFNPQLSZLRY-UHFFFAOYSA-N 0 0 162.599 2.377 10 0 AEAERN CCCOc1cc(C)cc(CO)c1 575423145 352199687 /nfs/dbraw/zinc/19/96/87/352199687.db2.gz RBGNYVMFFHMBGF-UHFFFAOYSA-N 0 0 180.247 2.276 10 0 AEAERN CC(C)(F)c1ccnnc1Cl 575433790 352201271 /nfs/dbraw/zinc/20/12/71/352201271.db2.gz IUNSKUGOTNPAKA-UHFFFAOYSA-N 0 0 174.606 2.335 10 0 AEAERN O=C1CCCc2oc3c(c21)CCC3 575433862 352201281 /nfs/dbraw/zinc/20/12/81/352201281.db2.gz QLTOYAWZLLUBAN-UHFFFAOYSA-N 0 0 176.215 2.287 10 0 AEAERN CC(C)(F)c1ccc(Cl)nn1 575433838 352201329 /nfs/dbraw/zinc/20/13/29/352201329.db2.gz OGCUGRRTGZJFPF-UHFFFAOYSA-N 0 0 174.606 2.335 10 0 AEAERN CC(C)(F)c1nccnc1Cl 575433712 352201459 /nfs/dbraw/zinc/20/14/59/352201459.db2.gz DJJLALFOIDUDPB-UHFFFAOYSA-N 0 0 174.606 2.335 10 0 AEAERN CC(F)(F)c1cncnc1Cl 575433779 352201532 /nfs/dbraw/zinc/20/15/32/352201532.db2.gz IFHCEYMPSFDJOC-UHFFFAOYSA-N 0 0 178.569 2.242 10 0 AEAERN CC(F)(F)c1ccc(Cl)nn1 575433839 352201611 /nfs/dbraw/zinc/20/16/11/352201611.db2.gz OMXLUBNXSWYHPL-UHFFFAOYSA-N 0 0 178.569 2.242 10 0 AEAERN CC(C)(F)c1ccncc1 575433687 352201653 /nfs/dbraw/zinc/20/16/53/352201653.db2.gz CHCILPGGSWAMOA-UHFFFAOYSA-N 0 0 139.173 2.286 10 0 AEAERN CC(C)(F)c1cncnc1Cl 575433872 352201721 /nfs/dbraw/zinc/20/17/21/352201721.db2.gz RNSUKNSAXJZCAO-UHFFFAOYSA-N 0 0 174.606 2.335 10 0 AEAERN CC(C)Oc1ccc(N)c(Cl)n1 575433762 352201749 /nfs/dbraw/zinc/20/17/49/352201749.db2.gz HJKZGNLSAKBFID-UHFFFAOYSA-N 0 0 186.642 2.104 10 0 AEAERN CC(C)(F)c1cccnc1 575433849 352201765 /nfs/dbraw/zinc/20/17/65/352201765.db2.gz PEQCHLKSXIHOTC-UHFFFAOYSA-N 0 0 139.173 2.286 10 0 AEAERN Nc1ccc(OCC2CC2)nc1Cl 575434312 352201993 /nfs/dbraw/zinc/20/19/93/352201993.db2.gz MWCOCMBJSUEAOZ-UHFFFAOYSA-N 0 0 198.653 2.106 10 0 AEAERN c1ccc2c(c1)ccn2C1COC1 575434390 352202252 /nfs/dbraw/zinc/20/22/52/352202252.db2.gz SZTCHGIUMPXMBP-UHFFFAOYSA-N 0 0 173.215 2.213 10 0 AEAERN Nc1c(Cl)c2ccccc2[nH]c1=O 575434318 352202256 /nfs/dbraw/zinc/20/22/56/352202256.db2.gz NFNWUKUYSONUTR-UHFFFAOYSA-N 0 0 194.621 2.176 10 0 AEAERN CC(=O)c1cc(N)c(Cl)cc1F 575436341 352202991 /nfs/dbraw/zinc/20/29/91/352202991.db2.gz ROBWFPCTOVVMIX-UHFFFAOYSA-N 0 0 187.601 2.264 10 0 AEAERN Cc1cccc2c1NC(=O)C2C 575439010 352203924 /nfs/dbraw/zinc/20/39/24/352203924.db2.gz PXTUOFCUTXLGHN-UHFFFAOYSA-N 0 0 161.204 2.490 10 0 AEAERN O=c1ccn2c(c1)-c1ccccc1CC2 575440226 352204766 /nfs/dbraw/zinc/20/47/66/352204766.db2.gz FHKXSCVDIDHPNG-UHFFFAOYSA-N 0 0 197.237 2.071 10 0 AEAERN CC(=O)Oc1c[nH]c2cccc(F)c12 575440319 352204947 /nfs/dbraw/zinc/20/49/47/352204947.db2.gz JGSBVHMALUBDBS-UHFFFAOYSA-N 0 0 193.177 2.232 10 0 AEAERN CSc1cnc(Cl)nc1Cl 575445215 352206712 /nfs/dbraw/zinc/20/67/12/352206712.db2.gz MKGUXEZPAOQSEY-UHFFFAOYSA-N 0 0 194.066 2.240 10 0 AEAERN Cc1cc2c(C)cccc2c(=O)o1 575447866 352206767 /nfs/dbraw/zinc/20/67/67/352206767.db2.gz URQYJDWROFCMDV-UHFFFAOYSA-N 0 0 174.199 2.410 10 0 AEAERN Cc1ccn(-c2cncc(Cl)c2)n1 575448809 352207358 /nfs/dbraw/zinc/20/73/58/352207358.db2.gz HTCWXFWDVDPGOR-UHFFFAOYSA-N 0 0 193.637 2.229 10 0 AEAERN CCO[C@H]([NH3+])Cc1cccc(Cl)c1 575448791 352207443 /nfs/dbraw/zinc/20/74/43/352207443.db2.gz GHLTWIGASSWEQK-JTQLQIEISA-N 0 0 199.681 2.204 10 0 AEAERN CCO[C@@H]([NH3+])Cc1cccc(Cl)c1 575448793 352207404 /nfs/dbraw/zinc/20/74/04/352207404.db2.gz GHLTWIGASSWEQK-SNVBAGLBSA-N 0 0 199.681 2.204 10 0 AEAERN CC(=O)[C@H]1C[C@@H]1c1ccncc1Cl 575449434 352207858 /nfs/dbraw/zinc/20/78/58/352207858.db2.gz IOTAYQCQVWMCGN-RKDXNWHRSA-N 0 0 195.649 2.428 10 0 AEAERN Clc1ccc(C2(Cl)CC2)nn1 575449475 352207898 /nfs/dbraw/zinc/20/78/98/352207898.db2.gz NPUZEDMUXXGZBJ-UHFFFAOYSA-N 0 0 189.045 2.358 10 0 AEAERN CC(=O)[C@H]1C[C@H]1c1ccncc1Cl 575449431 352207980 /nfs/dbraw/zinc/20/79/80/352207980.db2.gz IOTAYQCQVWMCGN-BDAKNGLRSA-N 0 0 195.649 2.428 10 0 AEAERN CCc1cc(SC)nc(Cl)n1 575449420 352208033 /nfs/dbraw/zinc/20/80/33/352208033.db2.gz GBNWAWLRKFYGRW-UHFFFAOYSA-N 0 0 188.683 2.414 10 0 AEAERN CC(=O)[C@@H]1C[C@H]1c1ccncc1Cl 575449433 352208036 /nfs/dbraw/zinc/20/80/36/352208036.db2.gz IOTAYQCQVWMCGN-IUCAKERBSA-N 0 0 195.649 2.428 10 0 AEAERN CC(=O)[C@@H]1C[C@@H]1c1ccncc1Cl 575449432 352208058 /nfs/dbraw/zinc/20/80/58/352208058.db2.gz IOTAYQCQVWMCGN-DTWKUNHWSA-N 0 0 195.649 2.428 10 0 AEAERN Cc1cc(F)nc(-c2cncs2)n1 575449539 352208530 /nfs/dbraw/zinc/20/85/30/352208530.db2.gz BJYPGPDCICCGPU-UHFFFAOYSA-N 0 0 195.222 2.048 10 0 AEAERN O=Cc1ccncc1-c1cnsc1 575449532 352208575 /nfs/dbraw/zinc/20/85/75/352208575.db2.gz VAZVHVHDVPFZIQ-UHFFFAOYSA-N 0 0 190.227 2.018 10 0 AEAERN S=c1cncc(-c2cncs2)[nH]1 575450490 352209597 /nfs/dbraw/zinc/20/95/97/352209597.db2.gz JNQJTXIMMFHDFR-UHFFFAOYSA-N 0 0 195.272 2.263 10 0 AEAERN Fc1cc(-c2cnsc2)cnc1F 575450413 352209973 /nfs/dbraw/zinc/20/99/73/352209973.db2.gz WTKCDJGPPJGVLR-UHFFFAOYSA-N 0 0 198.197 2.483 10 0 AEAERN Cc1cc(F)nc(CC(F)(F)F)n1 575450791 352210974 /nfs/dbraw/zinc/21/09/74/352210974.db2.gz ZOEGDZCZYKCXNN-UHFFFAOYSA-N 0 0 194.131 2.029 10 0 AEAERN Cc1ncc([C@H]2CCCC2=O)s1 575451007 352211884 /nfs/dbraw/zinc/21/18/84/352211884.db2.gz JORKNTUHKOBDDX-ZETCQYMHSA-N 0 0 181.260 2.288 10 0 AEAERN Cc1ncc([C@@H]2CCCC2=O)s1 575451004 352211926 /nfs/dbraw/zinc/21/19/26/352211926.db2.gz JORKNTUHKOBDDX-SSDOTTSWSA-N 0 0 181.260 2.288 10 0 AEAERN CC(C)Sc1cc(F)nc(F)n1 575450869 352211954 /nfs/dbraw/zinc/21/19/54/352211954.db2.gz XMNJQHUUQOOCGJ-UHFFFAOYSA-N 0 0 190.218 2.255 10 0 AEAERN Cc1ncc(C(=O)[C@@]2(C)C[C@@H]2F)s1 575451106 352212350 /nfs/dbraw/zinc/21/23/50/352212350.db2.gz CGNPQNZDLJLRMX-CBAPKCEASA-N 0 0 199.250 2.382 10 0 AEAERN Cc1ncc(C(=O)[C@@]2(C)C[C@H]2F)s1 575451105 352212394 /nfs/dbraw/zinc/21/23/94/352212394.db2.gz CGNPQNZDLJLRMX-APPZFPTMSA-N 0 0 199.250 2.382 10 0 AEAERN FC(F)(F)Cc1nccnc1Cl 575451125 352212524 /nfs/dbraw/zinc/21/25/24/352212524.db2.gz MVPDRMJISCPHMF-UHFFFAOYSA-N 0 0 196.559 2.235 10 0 AEAERN Cc1ncc(C(=O)[C@]2(C)C[C@@H]2F)s1 575451107 352212599 /nfs/dbraw/zinc/21/25/99/352212599.db2.gz CGNPQNZDLJLRMX-IONNQARKSA-N 0 0 199.250 2.382 10 0 AEAERN Cc1ncc(C(=O)[C@]2(C)C[C@H]2F)s1 575451108 352212654 /nfs/dbraw/zinc/21/26/54/352212654.db2.gz CGNPQNZDLJLRMX-VXNVDRBHSA-N 0 0 199.250 2.382 10 0 AEAERN Clc1nccnc1[C@@H]1CCCCO1 575451204 352213218 /nfs/dbraw/zinc/21/32/18/352213218.db2.gz OTHHVCQSUVSETN-ZETCQYMHSA-N 0 0 198.653 2.372 10 0 AEAERN CC(C)=C[C@H](O)c1cccc(N)c1 575451281 352213331 /nfs/dbraw/zinc/21/33/31/352213331.db2.gz POWAPBFRFYRVLX-NSHDSACASA-N 0 0 177.247 2.268 10 0 AEAERN Cc1cc(O)cc(NC2CSC2)c1 575451324 352213373 /nfs/dbraw/zinc/21/33/73/352213373.db2.gz ATYQCTIYNFQWQX-UHFFFAOYSA-N 0 0 195.287 2.228 10 0 AEAERN Clc1nccnc1[C@H]1CCCCO1 575451203 352213384 /nfs/dbraw/zinc/21/33/84/352213384.db2.gz OTHHVCQSUVSETN-SSDOTTSWSA-N 0 0 198.653 2.372 10 0 AEAERN Cc1ncsc1C(=O)[C@]1(C)C[C@@H]1F 575451397 352213933 /nfs/dbraw/zinc/21/39/33/352213933.db2.gz CYAOYRQSUHDKAX-IMTBSYHQSA-N 0 0 199.250 2.382 10 0 AEAERN Cc1ncsc1C(=O)[C@]1(C)C[C@H]1F 575451396 352213976 /nfs/dbraw/zinc/21/39/76/352213976.db2.gz CYAOYRQSUHDKAX-HZGVNTEJSA-N 0 0 199.250 2.382 10 0 AEAERN Cc1ncsc1C(=O)[C@@]1(C)C[C@H]1F 575451398 352213993 /nfs/dbraw/zinc/21/39/93/352213993.db2.gz CYAOYRQSUHDKAX-MUWHJKNJSA-N 0 0 199.250 2.382 10 0 AEAERN O=Cc1ccncc1-c1ccns1 575451427 352214013 /nfs/dbraw/zinc/21/40/13/352214013.db2.gz QZBNAZDKEDUVLU-UHFFFAOYSA-N 0 0 190.227 2.018 10 0 AEAERN CCC1C(=O)Nc2ccsc2C1=O 575451373 352214101 /nfs/dbraw/zinc/21/41/01/352214101.db2.gz SXMVFSFXAAWIEL-UHFFFAOYSA-N 0 0 195.243 2.270 10 0 AEAERN Cc1ncsc1C(=O)[C@@]1(C)C[C@@H]1F 575451399 352214166 /nfs/dbraw/zinc/21/41/66/352214166.db2.gz CYAOYRQSUHDKAX-RCOVLWMOSA-N 0 0 199.250 2.382 10 0 AEAERN Cc1cnc(-c2ccc[nH]c2=O)s1 575451531 352214784 /nfs/dbraw/zinc/21/47/84/352214784.db2.gz PCMYGDSXKIUSBM-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN Cc1cc(-c2noc(Cl)n2)ccn1 575451550 352214860 /nfs/dbraw/zinc/21/48/60/352214860.db2.gz MFXMLAWLCVTGGP-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN Cc1csc(-c2ccc[nH]c2=O)n1 575451794 352215673 /nfs/dbraw/zinc/21/56/73/352215673.db2.gz HTWYBJHIYWZHAG-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN Cc1cc([C@@H]2CC(=O)CO2)c(C)s1 575451926 352216172 /nfs/dbraw/zinc/21/61/72/352216172.db2.gz DUPCODXWZRRVGM-JTQLQIEISA-N 0 0 196.271 2.395 10 0 AEAERN Cc1cc([C@H]2CC(=O)CO2)c(C)s1 575451927 352216431 /nfs/dbraw/zinc/21/64/31/352216431.db2.gz DUPCODXWZRRVGM-SNVBAGLBSA-N 0 0 196.271 2.395 10 0 AEAERN Cn1cnc(-c2nc(Cl)cs2)c1 575451879 352216478 /nfs/dbraw/zinc/21/64/78/352216478.db2.gz ROKVYEQUXAXETC-UHFFFAOYSA-N 0 0 199.666 2.197 10 0 AEAERN O=c1[nH]ccn1[C@@H]1CCCSCC1 575451958 352217058 /nfs/dbraw/zinc/21/70/58/352217058.db2.gz URWYXGNJJVKLDI-MRVPVSSYSA-N 0 0 198.291 2.047 10 0 AEAERN Brc1nccnc1C1CC1 575452086 352217101 /nfs/dbraw/zinc/21/71/01/352217101.db2.gz DDZLRPHDPJNFFO-UHFFFAOYSA-N 0 0 199.051 2.117 10 0 AEAERN CNc1nc(C)ccc1CSC 575452106 352217119 /nfs/dbraw/zinc/21/71/19/352217119.db2.gz KVDWUQFQNOQQCB-UHFFFAOYSA-N 0 0 182.292 2.295 10 0 AEAERN O=c1[nH]ccn1[C@H]1CCCSCC1 575451959 352217182 /nfs/dbraw/zinc/21/71/82/352217182.db2.gz URWYXGNJJVKLDI-QMMMGPOBSA-N 0 0 198.291 2.047 10 0 AEAERN Cc1c(F)nc([C@@H]2C[C@H]2C)nc1F 575453059 352217802 /nfs/dbraw/zinc/21/78/02/352217802.db2.gz IMKMFIFLJUZSEM-INEUFUBQSA-N 0 0 184.189 2.187 10 0 AEAERN Cc1cc([C@@H](N)c2cncs2)co1 575453044 352217808 /nfs/dbraw/zinc/21/78/08/352217808.db2.gz MAJBROLJWKNVOZ-SECBINFHSA-N 0 0 194.259 2.093 10 0 AEAERN Cc1cc([C@H](N)c2cncs2)co1 575453046 352217840 /nfs/dbraw/zinc/21/78/40/352217840.db2.gz MAJBROLJWKNVOZ-VIFPVBQESA-N 0 0 194.259 2.093 10 0 AEAERN Cc1c(F)nc([C@H]2C[C@H]2C)nc1F 575453066 352217940 /nfs/dbraw/zinc/21/79/40/352217940.db2.gz IMKMFIFLJUZSEM-XINAWCOVSA-N 0 0 184.189 2.187 10 0 AEAERN Cc1c(F)nc([C@H]2C[C@@H]2C)nc1F 575453064 352218029 /nfs/dbraw/zinc/21/80/29/352218029.db2.gz IMKMFIFLJUZSEM-NJGYIYPDSA-N 0 0 184.189 2.187 10 0 AEAERN Cc1sc([C@H]2CCCCO2)nc1N 575453147 352218657 /nfs/dbraw/zinc/21/86/57/352218657.db2.gz PMJXHOICAQHWFH-SSDOTTSWSA-N 0 0 198.291 2.275 10 0 AEAERN Cc1sc([C@@H]2CCCCO2)nc1N 575453148 352218835 /nfs/dbraw/zinc/21/88/35/352218835.db2.gz PMJXHOICAQHWFH-ZETCQYMHSA-N 0 0 198.291 2.275 10 0 AEAERN c1cc2c(o1)[C@@H](C1CCC1)[NH2+]CC2 575453132 352218857 /nfs/dbraw/zinc/21/88/57/352218857.db2.gz PBRIDABOAABVFF-SNVBAGLBSA-N 0 0 177.247 2.267 10 0 AEAERN c1cc2c(o1)[C@H](C1CCC1)[NH2+]CC2 575453126 352218920 /nfs/dbraw/zinc/21/89/20/352218920.db2.gz PBRIDABOAABVFF-JTQLQIEISA-N 0 0 177.247 2.267 10 0 AEAERN Cc1nnc(F)c2ccccc12 575453367 352219267 /nfs/dbraw/zinc/21/92/67/352219267.db2.gz GNSLGTVGBRGEBI-UHFFFAOYSA-N 0 0 162.167 2.077 10 0 AEAERN Cc1ncc(C(=O)C(C)(C)F)s1 575453268 352219684 /nfs/dbraw/zinc/21/96/84/352219684.db2.gz DUIIXQMHCXSVAA-UHFFFAOYSA-N 0 0 187.239 2.382 10 0 AEAERN CSc1c(C=O)ccc(F)c1F 575453605 352221245 /nfs/dbraw/zinc/22/12/45/352221245.db2.gz QDRCKJPLZAKZGU-UHFFFAOYSA-N 0 0 188.198 2.499 10 0 AEAERN C[C@@]1(Cc2cccs2)CC(=O)CO1 575453911 352222435 /nfs/dbraw/zinc/22/24/35/352222435.db2.gz LZCPMVIISXORLL-JTQLQIEISA-N 0 0 196.271 2.039 10 0 AEAERN C[C@@]1(Cc2cccs2)[NH2+]CCS1 575454057 352222541 /nfs/dbraw/zinc/22/25/41/352222541.db2.gz PLSNDVONXWBYAB-SECBINFHSA-N 0 0 199.344 2.343 10 0 AEAERN C[C@]1(Cc2cccs2)CC(=O)CO1 575453940 352222748 /nfs/dbraw/zinc/22/27/48/352222748.db2.gz LZCPMVIISXORLL-SNVBAGLBSA-N 0 0 196.271 2.039 10 0 AEAERN C[C@@H]1C[C@H]1c1nccnc1Cl 575454077 352223364 /nfs/dbraw/zinc/22/33/64/352223364.db2.gz UISVYTFHUYCPES-PHDIDXHHSA-N 0 0 168.627 2.253 10 0 AEAERN Cc1cocc1C(=O)c1ccns1 575454140 352223371 /nfs/dbraw/zinc/22/33/71/352223371.db2.gz MWSSUFPBYIEXQE-UHFFFAOYSA-N 0 0 193.227 2.276 10 0 AEAERN C[C@H]1C[C@@H]1c1nccnc1Cl 575454082 352223402 /nfs/dbraw/zinc/22/34/02/352223402.db2.gz UISVYTFHUYCPES-WDSKDSINSA-N 0 0 168.627 2.253 10 0 AEAERN C[C@H]1C[C@H]1c1nccnc1Cl 575454068 352223417 /nfs/dbraw/zinc/22/34/17/352223417.db2.gz UISVYTFHUYCPES-NTSWFWBYSA-N 0 0 168.627 2.253 10 0 AEAERN CNc1ncc(C2CC2)cc1F 575454130 352223478 /nfs/dbraw/zinc/22/34/78/352223478.db2.gz PMNQOSSNGDWRMH-UHFFFAOYSA-N 0 0 166.199 2.140 10 0 AEAERN C[C@]1(Cc2cccs2)[NH2+]CCS1 575454091 352223488 /nfs/dbraw/zinc/22/34/88/352223488.db2.gz PLSNDVONXWBYAB-VIFPVBQESA-N 0 0 199.344 2.343 10 0 AEAERN C[C@@H]1C[C@@H]1c1nccnc1Cl 575454079 352223624 /nfs/dbraw/zinc/22/36/24/352223624.db2.gz UISVYTFHUYCPES-RITPCOANSA-N 0 0 168.627 2.253 10 0 AEAERN Cc1nc(Cl)nc(-c2ccco2)n1 575454246 352224075 /nfs/dbraw/zinc/22/40/75/352224075.db2.gz SKCTWLFKZPDEEQ-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN CC(=O)[C@@H]1C[C@@H]1c1cncc(Cl)c1 575454311 352224102 /nfs/dbraw/zinc/22/41/02/352224102.db2.gz HTYNXSTWNUPSPN-VHSXEESVSA-N 0 0 195.649 2.428 10 0 AEAERN CC(=O)[C@H]1C[C@H]1c1cncc(Cl)c1 575454313 352224132 /nfs/dbraw/zinc/22/41/32/352224132.db2.gz HTYNXSTWNUPSPN-ZJUUUORDSA-N 0 0 195.649 2.428 10 0 AEAERN CC(=O)[C@H]1C[C@@H]1c1cncc(Cl)c1 575454307 352224142 /nfs/dbraw/zinc/22/41/42/352224142.db2.gz HTYNXSTWNUPSPN-NXEZZACHSA-N 0 0 195.649 2.428 10 0 AEAERN CC(=O)[C@@H]1C[C@H]1c1cncc(Cl)c1 575454308 352224166 /nfs/dbraw/zinc/22/41/66/352224166.db2.gz HTYNXSTWNUPSPN-UWVGGRQHSA-N 0 0 195.649 2.428 10 0 AEAERN Cc1nc(C2=CCCC2)[nH]c(=S)n1 575454384 352224803 /nfs/dbraw/zinc/22/48/03/352224803.db2.gz YOYPAXYSEGIZFR-UHFFFAOYSA-N 0 0 193.275 2.036 10 0 AEAERN Cc1ncc(-c2ncccc2O)s1 575454717 352225515 /nfs/dbraw/zinc/22/55/15/352225515.db2.gz XGYBEDMORFEQAI-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN Clc1cc(-c2cncs2)ncn1 575455572 352227124 /nfs/dbraw/zinc/22/71/24/352227124.db2.gz SBYOSLOLATZBSW-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN CSc1nc(F)nc2ccccc12 575455568 352227223 /nfs/dbraw/zinc/22/72/23/352227223.db2.gz RGQCGEWUNVJXRD-UHFFFAOYSA-N 0 0 194.234 2.491 10 0 AEAERN O=Cc1ccncc1-c1ccsn1 575455748 352227524 /nfs/dbraw/zinc/22/75/24/352227524.db2.gz VUBQMCGHNRTGCE-UHFFFAOYSA-N 0 0 190.227 2.018 10 0 AEAERN c1c[nH]c(CNc2cnsc2)c1 575455870 352227809 /nfs/dbraw/zinc/22/78/09/352227809.db2.gz SZQMSGRDIIHICW-UHFFFAOYSA-N 0 0 179.248 2.083 10 0 AEAERN CC(F)(F)C[C@@H]1COC(C)(C)C1=O 575456026 352228176 /nfs/dbraw/zinc/22/81/76/352228176.db2.gz RHLOALOMTSRVEU-ZCFIWIBFSA-N 0 0 192.205 2.026 10 0 AEAERN O=Cc1ccncc1-c1ccoc1 575455999 352228178 /nfs/dbraw/zinc/22/81/78/352228178.db2.gz LPEBFCHVHRQYNK-UHFFFAOYSA-N 0 0 173.171 2.154 10 0 AEAERN C[C@H]1CN(c2ccccc2N)[C@@H]1C 575456031 352228221 /nfs/dbraw/zinc/22/82/21/352228221.db2.gz TYLAEROUXCXMHT-DTWKUNHWSA-N 0 0 176.263 2.113 10 0 AEAERN C[C@@H]1CN(c2ccccc2N)[C@@H]1C 575456033 352228266 /nfs/dbraw/zinc/22/82/66/352228266.db2.gz TYLAEROUXCXMHT-RKDXNWHRSA-N 0 0 176.263 2.113 10 0 AEAERN C[C@H]1[C@H](C)CN1c1ccccc1N 575456030 352228269 /nfs/dbraw/zinc/22/82/69/352228269.db2.gz TYLAEROUXCXMHT-BDAKNGLRSA-N 0 0 176.263 2.113 10 0 AEAERN CC(F)(F)C[C@H]1COC(C)(C)C1=O 575456025 352228301 /nfs/dbraw/zinc/22/83/01/352228301.db2.gz RHLOALOMTSRVEU-LURJTMIESA-N 0 0 192.205 2.026 10 0 AEAERN C[C@H]1CN(c2ccccc2N)[C@H]1C 575456032 352228317 /nfs/dbraw/zinc/22/83/17/352228317.db2.gz TYLAEROUXCXMHT-IUCAKERBSA-N 0 0 176.263 2.113 10 0 AEAERN C[C@@H]1CCCC[C@@H]1[C@H]1COCC1=O 575456162 352228790 /nfs/dbraw/zinc/22/87/90/352228790.db2.gz DVJORJGOENKUNC-KXUCPTDWSA-N 0 0 182.263 2.028 10 0 AEAERN O[C@@H]1CC[C@H]1Nc1ccccc1Cl 575456136 352228806 /nfs/dbraw/zinc/22/88/06/352228806.db2.gz HDRVGTCOQFBUQR-NXEZZACHSA-N 0 0 197.665 2.275 10 0 AEAERN C[C@@H]1CCCC[C@H]1[C@@H]1COCC1=O 575456151 352228819 /nfs/dbraw/zinc/22/88/19/352228819.db2.gz DVJORJGOENKUNC-BBBLOLIVSA-N 0 0 182.263 2.028 10 0 AEAERN C[C@@H]1CCCC[C@@H]1[C@@H]1COCC1=O 575456164 352228859 /nfs/dbraw/zinc/22/88/59/352228859.db2.gz DVJORJGOENKUNC-UTLUCORTSA-N 0 0 182.263 2.028 10 0 AEAERN NC(=S)Nc1cccc(C2CC2)c1 575456192 352228882 /nfs/dbraw/zinc/22/88/82/352228882.db2.gz JYBSRYPTNYSDDU-UHFFFAOYSA-N 0 0 192.287 2.220 10 0 AEAERN C[C@@H]1CCCC[C@H]1[C@H]1COCC1=O 575456163 352228892 /nfs/dbraw/zinc/22/88/92/352228892.db2.gz DVJORJGOENKUNC-OPRDCNLKSA-N 0 0 182.263 2.028 10 0 AEAERN CNc1ccnc(-c2cncs2)c1 575456138 352228905 /nfs/dbraw/zinc/22/89/05/352228905.db2.gz HOWYWXOCBOHFSH-UHFFFAOYSA-N 0 0 191.259 2.247 10 0 AEAERN O[C@@H]1CC[C@@H]1Nc1ccccc1Cl 575456147 352229037 /nfs/dbraw/zinc/22/90/37/352229037.db2.gz HDRVGTCOQFBUQR-VHSXEESVSA-N 0 0 197.665 2.275 10 0 AEAERN O[C@H]1CC[C@H]1Nc1ccccc1Cl 575456148 352229082 /nfs/dbraw/zinc/22/90/82/352229082.db2.gz HDRVGTCOQFBUQR-ZJUUUORDSA-N 0 0 197.665 2.275 10 0 AEAERN O[C@H]1CC[C@@H]1Nc1ccccc1Cl 575456145 352229110 /nfs/dbraw/zinc/22/91/10/352229110.db2.gz HDRVGTCOQFBUQR-UWVGGRQHSA-N 0 0 197.665 2.275 10 0 AEAERN CCSc1ccc(C=O)nc1 575456215 352229174 /nfs/dbraw/zinc/22/91/74/352229174.db2.gz JIZJMQJCHOJGIG-UHFFFAOYSA-N 0 0 167.233 2.006 10 0 AEAERN Cc1nc(F)c2sccc2n1 575456245 352229458 /nfs/dbraw/zinc/22/94/58/352229458.db2.gz HIEYIINTTJKOJV-UHFFFAOYSA-N 0 0 168.196 2.139 10 0 AEAERN C1=C(CNc2cnsc2)CSC1 575456921 352232409 /nfs/dbraw/zinc/23/24/09/352232409.db2.gz CDKGVUVFGFBJDF-UHFFFAOYSA-N 0 0 198.316 2.228 10 0 AEAERN Nc1ccccc1NCC1CSC1 575457587 352232533 /nfs/dbraw/zinc/23/25/33/352232533.db2.gz PZCPQQHOBWRHIE-UHFFFAOYSA-N 0 0 194.303 2.044 10 0 AEAERN Cc1nc(Cl)nc(C2=CCCC2)n1 575457564 352232581 /nfs/dbraw/zinc/23/25/81/352232581.db2.gz LHGXRDAJFSKANT-UHFFFAOYSA-N 0 0 195.653 2.401 10 0 AEAERN CCc1nc([C@@H]2CCCO2)c(N)s1 575457691 352233027 /nfs/dbraw/zinc/23/30/27/352233027.db2.gz MHKSRVVLTIIONO-LURJTMIESA-N 0 0 198.291 2.139 10 0 AEAERN CCc1nc([C@H]2CCCO2)c(N)s1 575457692 352233357 /nfs/dbraw/zinc/23/33/57/352233357.db2.gz MHKSRVVLTIIONO-ZCFIWIBFSA-N 0 0 198.291 2.139 10 0 AEAERN CSc1nc2ccccc2nc1F 575457891 352234156 /nfs/dbraw/zinc/23/41/56/352234156.db2.gz MBVHSUKCETYGMX-UHFFFAOYSA-N 0 0 194.234 2.491 10 0 AEAERN c1csc(CNc2cnsc2)n1 575457796 352234208 /nfs/dbraw/zinc/23/42/08/352234208.db2.gz CXDXGSKWFIGBME-UHFFFAOYSA-N 0 0 197.288 2.212 10 0 AEAERN Cc1cc(O)cc(-n2cccc2)c1 575457995 352234917 /nfs/dbraw/zinc/23/49/17/352234917.db2.gz RBXKRGPWKBEADN-UHFFFAOYSA-N 0 0 173.215 2.491 10 0 AEAERN C1=C(CNc2cccnc2)CSC1 575458122 352235579 /nfs/dbraw/zinc/23/55/79/352235579.db2.gz LDKZHVQKGLLGEK-UHFFFAOYSA-N 0 0 192.287 2.167 10 0 AEAERN C[C@@H](CF)Nc1cc(N)cc(F)c1 575458264 352236088 /nfs/dbraw/zinc/23/60/88/352236088.db2.gz BQVGPQKDRDXFAZ-LURJTMIESA-N 0 0 186.205 2.178 10 0 AEAERN C[C@H](CF)Nc1cc(N)cc(F)c1 575458266 352236344 /nfs/dbraw/zinc/23/63/44/352236344.db2.gz BQVGPQKDRDXFAZ-ZCFIWIBFSA-N 0 0 186.205 2.178 10 0 AEAERN C[C@@H](Nc1cnsc1)c1cn[nH]c1 575458924 352238516 /nfs/dbraw/zinc/23/85/16/352238516.db2.gz WUQZUEGCXRPAPZ-ZCFIWIBFSA-N 0 0 194.263 2.039 10 0 AEAERN C[C@H](Nc1cnsc1)c1cn[nH]c1 575458913 352238763 /nfs/dbraw/zinc/23/87/63/352238763.db2.gz WUQZUEGCXRPAPZ-LURJTMIESA-N 0 0 194.263 2.039 10 0 AEAERN O=c1c(Cl)cnc2s[nH]cc1-2 575459015 352239316 /nfs/dbraw/zinc/23/93/16/352239316.db2.gz QSUZPEKUHBMHFC-UHFFFAOYSA-N 0 0 186.623 2.050 10 0 AEAERN Cc1ccc(C(=O)C(C)(C)F)[nH]1 575459307 352239718 /nfs/dbraw/zinc/23/97/18/352239718.db2.gz DXPRNUBQIMHMGS-UHFFFAOYSA-N 0 0 169.199 2.254 10 0 AEAERN Cc1ccc2ncnc(F)c2c1 575459155 352239872 /nfs/dbraw/zinc/23/98/72/352239872.db2.gz UMVURFMXBPVPOA-UHFFFAOYSA-N 0 0 162.167 2.077 10 0 AEAERN C[C@@H]1C[C@@H]1c1nc(F)c(F)c(F)n1 575459365 352240545 /nfs/dbraw/zinc/24/05/45/352240545.db2.gz HNWKQIYIUIZFEV-DMTCNVIQSA-N 0 0 188.152 2.017 10 0 AEAERN C[C@H]1C[C@H]1c1nc(F)c(F)c(F)n1 575459374 352240761 /nfs/dbraw/zinc/24/07/61/352240761.db2.gz HNWKQIYIUIZFEV-IUYQGCFVSA-N 0 0 188.152 2.017 10 0 AEAERN C[C@@H]1C[C@H]1c1nc(F)c(F)c(F)n1 575459375 352240864 /nfs/dbraw/zinc/24/08/64/352240864.db2.gz HNWKQIYIUIZFEV-QWWZWVQMSA-N 0 0 188.152 2.017 10 0 AEAERN C[C@H]1C[C@@H]1c1nc(F)c(F)c(F)n1 575459373 352241035 /nfs/dbraw/zinc/24/10/35/352241035.db2.gz HNWKQIYIUIZFEV-IMJSIDKUSA-N 0 0 188.152 2.017 10 0 AEAERN C[C@@H]1Nc2c(F)cccc2O[C@H]1C 575459513 352241341 /nfs/dbraw/zinc/24/13/41/352241341.db2.gz PHMGDJYDRRPXSZ-BQBZGAKWSA-N 0 0 181.210 2.407 10 0 AEAERN C[C@H]1Nc2c(F)cccc2O[C@@H]1C 575459518 352241347 /nfs/dbraw/zinc/24/13/47/352241347.db2.gz PHMGDJYDRRPXSZ-RNFRBKRXSA-N 0 0 181.210 2.407 10 0 AEAERN C[C@@H]1Nc2c(F)cccc2O[C@@H]1C 575459515 352241368 /nfs/dbraw/zinc/24/13/68/352241368.db2.gz PHMGDJYDRRPXSZ-NKWVEPMBSA-N 0 0 181.210 2.407 10 0 AEAERN C[C@@H]1Oc2cccc(F)c2N[C@@H]1C 575459522 352241710 /nfs/dbraw/zinc/24/17/10/352241710.db2.gz PHMGDJYDRRPXSZ-RQJHMYQMSA-N 0 0 181.210 2.407 10 0 AEAERN C[C@H](CF)Nc1ccccc1N 575459724 352241965 /nfs/dbraw/zinc/24/19/65/352241965.db2.gz KJZUCTOMSAPQSK-SSDOTTSWSA-N 0 0 168.215 2.039 10 0 AEAERN Cc1noc(CNc2ccsc2)n1 575459721 352241973 /nfs/dbraw/zinc/24/19/73/352241973.db2.gz JQFSLBMWGYDDAM-UHFFFAOYSA-N 0 0 195.247 2.052 10 0 AEAERN C[C@@H](CF)Nc1ccccc1N 575459725 352242323 /nfs/dbraw/zinc/24/23/23/352242323.db2.gz KJZUCTOMSAPQSK-ZETCQYMHSA-N 0 0 168.215 2.039 10 0 AEAERN Cc1cc(C(=O)C(F)F)c(C)[nH]1 575459687 352242379 /nfs/dbraw/zinc/24/23/79/352242379.db2.gz FAAIBDGXRPJOOC-UHFFFAOYSA-N 0 0 173.162 2.079 10 0 AEAERN Oc1cccc(OC2CC2)c1F 575460391 352242997 /nfs/dbraw/zinc/24/29/97/352242997.db2.gz KGQWHEULZGSWTO-UHFFFAOYSA-N 0 0 168.167 2.073 10 0 AEAERN Cc1ccc(C(=O)c2ccco2)[nH]1 575460593 352243610 /nfs/dbraw/zinc/24/36/10/352243610.db2.gz NMCLQWULEQJRSY-UHFFFAOYSA-N 0 0 175.187 2.147 10 0 AEAERN C[C@@]1(Cc2ccsc2)CC(=O)CO1 575460576 352243829 /nfs/dbraw/zinc/24/38/29/352243829.db2.gz JAYNWENMYMZIHL-SNVBAGLBSA-N 0 0 196.271 2.039 10 0 AEAERN C[C@]1(Cc2ccsc2)CC(=O)CO1 575460575 352243844 /nfs/dbraw/zinc/24/38/44/352243844.db2.gz JAYNWENMYMZIHL-JTQLQIEISA-N 0 0 196.271 2.039 10 0 AEAERN Cc1nc(C2(C)CC2)nc(F)c1C 575460739 352244412 /nfs/dbraw/zinc/24/44/12/352244412.db2.gz SJPCBOXOOKODRW-UHFFFAOYSA-N 0 0 180.226 2.284 10 0 AEAERN Cc1ccc(CN(C)C)c(Cl)n1 575460808 352244620 /nfs/dbraw/zinc/24/46/20/352244620.db2.gz UYGVCRZIEIXJJB-UHFFFAOYSA-N 0 0 184.670 2.105 10 0 AEAERN Cc1cc(N)cc(N2CC[C@@H]2C)c1 575460964 352244964 /nfs/dbraw/zinc/24/49/64/352244964.db2.gz JFANNHRNWNDMOV-VIFPVBQESA-N 0 0 176.263 2.176 10 0 AEAERN Clc1ccnc([C@@H]2CCCCO2)n1 575461015 352245035 /nfs/dbraw/zinc/24/50/35/352245035.db2.gz QMYXZNRBYMDCHZ-ZETCQYMHSA-N 0 0 198.653 2.372 10 0 AEAERN Clc1ccnc([C@H]2CCCCO2)n1 575461004 352245046 /nfs/dbraw/zinc/24/50/46/352245046.db2.gz QMYXZNRBYMDCHZ-SSDOTTSWSA-N 0 0 198.653 2.372 10 0 AEAERN Cc1cc(N)cc(N2CC[C@H]2C)c1 575460963 352245115 /nfs/dbraw/zinc/24/51/15/352245115.db2.gz JFANNHRNWNDMOV-SECBINFHSA-N 0 0 176.263 2.176 10 0 AEAERN Cc1cc(F)nc([C@@H]2CCCS2)n1 575461229 352246626 /nfs/dbraw/zinc/24/66/26/352246626.db2.gz NFRISXLZSMNKDT-ZETCQYMHSA-N 0 0 198.266 2.492 10 0 AEAERN Cc1cc(F)nc([C@H]2CCCS2)n1 575461223 352246852 /nfs/dbraw/zinc/24/68/52/352246852.db2.gz NFRISXLZSMNKDT-SSDOTTSWSA-N 0 0 198.266 2.492 10 0 AEAERN Cc1ccc(-c2cnsc2)c(N)n1 575461467 352247158 /nfs/dbraw/zinc/24/71/58/352247158.db2.gz OGVYFAXCDTXDIV-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN c1cc(CNc2cnsc2)co1 575461548 352247896 /nfs/dbraw/zinc/24/78/96/352247896.db2.gz BHJCPGGXCWFQFN-UHFFFAOYSA-N 0 0 180.232 2.348 10 0 AEAERN COc1cccc2c(F)nccc12 575461708 352248781 /nfs/dbraw/zinc/24/87/81/352248781.db2.gz PWDHCGFNPNZDJZ-UHFFFAOYSA-N 0 0 177.178 2.383 10 0 AEAERN Cc1cc([C@H](O)C(C)(C)F)c(C)[nH]1 575461717 352248859 /nfs/dbraw/zinc/24/88/59/352248859.db2.gz ATJKMNCLFCFDEL-VIFPVBQESA-N 0 0 185.242 2.413 10 0 AEAERN Cc1cc([C@@H](O)C(C)(C)F)c(C)[nH]1 575461712 352248960 /nfs/dbraw/zinc/24/89/60/352248960.db2.gz ATJKMNCLFCFDEL-SECBINFHSA-N 0 0 185.242 2.413 10 0 AEAERN Fc1cc(-c2cncs2)cnc1F 575461679 352248971 /nfs/dbraw/zinc/24/89/71/352248971.db2.gz ZWAVKPVUQVHEPR-UHFFFAOYSA-N 0 0 198.197 2.483 10 0 AEAERN O=Cc1cc(N2CC[C@@H]3C[C@@H]32)cs1 575461941 352249351 /nfs/dbraw/zinc/24/93/51/352249351.db2.gz GJLFMAMKGCCTIU-XCBNKYQSSA-N 0 0 193.271 2.159 10 0 AEAERN O=Cc1cc(N2CC[C@H]3C[C@H]32)cs1 575461940 352249518 /nfs/dbraw/zinc/24/95/18/352249518.db2.gz GJLFMAMKGCCTIU-OIBJUYFYSA-N 0 0 193.271 2.159 10 0 AEAERN Cc1ncc(-c2nccc(F)n2)s1 575462024 352250082 /nfs/dbraw/zinc/25/00/82/352250082.db2.gz BBZBIYQCBDMYTI-UHFFFAOYSA-N 0 0 195.222 2.048 10 0 AEAERN Cc1nc(F)c2cccc(F)c2n1 575462035 352250098 /nfs/dbraw/zinc/25/00/98/352250098.db2.gz BSOJOYCRILYBFP-UHFFFAOYSA-N 0 0 180.157 2.216 10 0 AEAERN Fc1nc(Cl)nc2ccsc12 575462044 352250203 /nfs/dbraw/zinc/25/02/03/352250203.db2.gz FJFZVCGEFACKBR-UHFFFAOYSA-N 0 0 188.614 2.484 10 0 AEAERN Cc1nc(-c2nc(N)cs2)cs1 575462061 352250234 /nfs/dbraw/zinc/25/02/34/352250234.db2.gz GXZCSVLUDOAOQC-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 AEAERN Nc1csc2c1CCC(F)(F)C2 575462216 352250913 /nfs/dbraw/zinc/25/09/13/352250913.db2.gz ZRDBCRQAZPUZLR-UHFFFAOYSA-N 0 0 189.230 2.454 10 0 AEAERN CCc1nc(C)c(C)[nH]c1=S 575462237 352251014 /nfs/dbraw/zinc/25/10/14/352251014.db2.gz FYEQGPMWVMYABK-UHFFFAOYSA-N 0 0 168.265 2.318 10 0 AEAERN Cc1sc2ncnc(F)c2c1C 575462394 352251694 /nfs/dbraw/zinc/25/16/94/352251694.db2.gz SCWUVLCBTMPPBZ-UHFFFAOYSA-N 0 0 182.223 2.447 10 0 AEAERN CCOc1cc(NC)ccc1C 575462555 352252161 /nfs/dbraw/zinc/25/21/61/352252161.db2.gz NYSYIKDYUYZMDO-UHFFFAOYSA-N 0 0 165.236 2.435 10 0 AEAERN Cc1csc(-c2nccc(F)n2)n1 575462750 352252937 /nfs/dbraw/zinc/25/29/37/352252937.db2.gz IGHLDDNJVKSHCM-UHFFFAOYSA-N 0 0 195.222 2.048 10 0 AEAERN c1cc(CNc2cnsc2)sn1 575462740 352252985 /nfs/dbraw/zinc/25/29/85/352252985.db2.gz GTKGVDIIYCZXKS-UHFFFAOYSA-N 0 0 197.288 2.212 10 0 AEAERN Cc1nc(-c2nccc(F)n2)cs1 575462706 352253030 /nfs/dbraw/zinc/25/30/30/352253030.db2.gz BBGJIXBWRDJUDN-UHFFFAOYSA-N 0 0 195.222 2.048 10 0 AEAERN Fc1cccc(S[C@H]2CCOC2)n1 575462671 352253197 /nfs/dbraw/zinc/25/31/97/352253197.db2.gz NRYNYMYCZGBYDN-ZETCQYMHSA-N 0 0 199.250 2.102 10 0 AEAERN Fc1cccc(S[C@@H]2CCOC2)n1 575462670 352253234 /nfs/dbraw/zinc/25/32/34/352253234.db2.gz NRYNYMYCZGBYDN-SSDOTTSWSA-N 0 0 199.250 2.102 10 0 AEAERN c1coc(CNc2cnsc2)c1 575462852 352253678 /nfs/dbraw/zinc/25/36/78/352253678.db2.gz FCOIPCPEVNVEAT-UHFFFAOYSA-N 0 0 180.232 2.348 10 0 AEAERN O=Cc1cc(N2CC[C@@H](F)C2)cs1 575463586 352255344 /nfs/dbraw/zinc/25/53/44/352255344.db2.gz HOTZAQNXOVMKOL-SSDOTTSWSA-N 0 0 199.250 2.109 10 0 AEAERN O=Cc1cc(N2CC[C@H](F)C2)cs1 575463593 352255984 /nfs/dbraw/zinc/25/59/84/352255984.db2.gz HOTZAQNXOVMKOL-ZETCQYMHSA-N 0 0 199.250 2.109 10 0 AEAERN C/C(=C/Cl)Cn1cc(C)[nH]c1=O 575463632 352256124 /nfs/dbraw/zinc/25/61/24/352256124.db2.gz LHGGOIBAMARTAO-UTCJRWHESA-N 0 0 186.642 2.040 10 0 AEAERN CC(=O)[C@H]1C[C@H]1c1ccnc(C)c1 575463963 352256814 /nfs/dbraw/zinc/25/68/14/352256814.db2.gz NMUAKCPFSQPFJB-MNOVXSKESA-N 0 0 175.231 2.083 10 0 AEAERN CC(=O)[C@H]1C[C@@H]1c1ccnc(C)c1 575463954 352256820 /nfs/dbraw/zinc/25/68/20/352256820.db2.gz NMUAKCPFSQPFJB-GHMZBOCLSA-N 0 0 175.231 2.083 10 0 AEAERN CC(=O)[C@@H]1C[C@H]1c1ccnc(C)c1 575463964 352256822 /nfs/dbraw/zinc/25/68/22/352256822.db2.gz NMUAKCPFSQPFJB-QWRGUYRKSA-N 0 0 175.231 2.083 10 0 AEAERN Cc1cn(CC2=CCCC2)c(=O)[nH]1 575463936 352256855 /nfs/dbraw/zinc/25/68/55/352256855.db2.gz OUUNCUQKOYNUAI-UHFFFAOYSA-N 0 0 178.235 2.007 10 0 AEAERN Cc1nc(F)c2cccc(C)c2n1 575463952 352256864 /nfs/dbraw/zinc/25/68/64/352256864.db2.gz QPSXQKXYVBSHNX-UHFFFAOYSA-N 0 0 176.194 2.386 10 0 AEAERN CC(=O)[C@@H]1C[C@@H]1c1ccnc(C)c1 575463968 352257001 /nfs/dbraw/zinc/25/70/01/352257001.db2.gz NMUAKCPFSQPFJB-WDEREUQCSA-N 0 0 175.231 2.083 10 0 AEAERN CSCc1nc(C)c(C)c(F)n1 575464118 352257460 /nfs/dbraw/zinc/25/74/60/352257460.db2.gz DMYUXYXFLRQWJW-UHFFFAOYSA-N 0 0 186.255 2.096 10 0 AEAERN O=C(CC1CC=CC1)C(F)F 575464133 352257484 /nfs/dbraw/zinc/25/74/84/352257484.db2.gz FSKXJAVEJDZACF-UHFFFAOYSA-N 0 0 160.163 2.177 10 0 AEAERN Fc1cc(-c2ccsn2)cnc1F 575464241 352258425 /nfs/dbraw/zinc/25/84/25/352258425.db2.gz UUQHEHXHXKETNN-UHFFFAOYSA-N 0 0 198.197 2.483 10 0 AEAERN Cc1csc2c(F)ncnc12 575464519 352259588 /nfs/dbraw/zinc/25/95/88/352259588.db2.gz BAWABXIFGZAFMT-UHFFFAOYSA-N 0 0 168.196 2.139 10 0 AEAERN Fc1cc(N[C@@H]2C=CCC2)ccn1 575464740 352260084 /nfs/dbraw/zinc/26/00/84/352260084.db2.gz AEGGXQDNVIJFLF-MRVPVSSYSA-N 0 0 178.210 2.351 10 0 AEAERN Cc1c[nH]c(=S)n1C[C@@H]1CC12CC2 575464715 352260151 /nfs/dbraw/zinc/26/01/51/352260151.db2.gz TWJFQBVPGPQDKA-QMMMGPOBSA-N 0 0 194.303 2.280 10 0 AEAERN Cc1c[nH]c(=S)n1C[C@H]1CC12CC2 575464714 352260256 /nfs/dbraw/zinc/26/02/56/352260256.db2.gz TWJFQBVPGPQDKA-MRVPVSSYSA-N 0 0 194.303 2.280 10 0 AEAERN Fc1cc(N[C@H]2C=CCC2)ccn1 575464741 352260369 /nfs/dbraw/zinc/26/03/69/352260369.db2.gz AEGGXQDNVIJFLF-QMMMGPOBSA-N 0 0 178.210 2.351 10 0 AEAERN Cc1cocc1C(=O)c1cnsc1 575464844 352260758 /nfs/dbraw/zinc/26/07/58/352260758.db2.gz XDBPICWEDGDFIK-UHFFFAOYSA-N 0 0 193.227 2.276 10 0 AEAERN Cc1ccc(-c2ccns2)c(N)n1 575464957 352260844 /nfs/dbraw/zinc/26/08/44/352260844.db2.gz QRPSJEXFAIUPGQ-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN O=C(c1ccns1)[C@@H]1C[C@@H]2C[C@@H]2C1 575464936 352260968 /nfs/dbraw/zinc/26/09/68/352260968.db2.gz LAOHTVWQPLLVOZ-JIGDXULJSA-N 0 0 193.271 2.372 10 0 AEAERN O=C1COc2c1ccc1sccc21 575464835 352261017 /nfs/dbraw/zinc/26/10/17/352261017.db2.gz VMMSYFLXAOCUIF-UHFFFAOYSA-N 0 0 190.223 2.476 10 0 AEAERN CC(C)=C[C@H](O)c1ccccc1N 575465139 352261432 /nfs/dbraw/zinc/26/14/32/352261432.db2.gz KGDQDHNCCLNCIF-NSHDSACASA-N 0 0 177.247 2.268 10 0 AEAERN CC(C)=C[C@@H](O)c1ccccc1N 575465138 352261438 /nfs/dbraw/zinc/26/14/38/352261438.db2.gz KGDQDHNCCLNCIF-LLVKDONJSA-N 0 0 177.247 2.268 10 0 AEAERN Cc1cc(C(=O)c2cncs2)co1 575465680 352263908 /nfs/dbraw/zinc/26/39/08/352263908.db2.gz QZZBKTORSMGDPY-UHFFFAOYSA-N 0 0 193.227 2.276 10 0 AEAERN Nc1ccc2cc[nH]c(=S)c2c1 575465676 352263950 /nfs/dbraw/zinc/26/39/50/352263950.db2.gz LUNRCBPYCMILDI-UHFFFAOYSA-N 0 0 176.244 2.106 10 0 AEAERN CC(C)c1nc(F)cc(Cl)n1 575465534 352263966 /nfs/dbraw/zinc/26/39/66/352263966.db2.gz FDTQVRCDEYTFNE-UHFFFAOYSA-N 0 0 174.606 2.393 10 0 AEAERN Cc1ccsc1[C@H]1CC(=O)CO1 575465754 352264508 /nfs/dbraw/zinc/26/45/08/352264508.db2.gz LQYNVLCAULDHGW-MRVPVSSYSA-N 0 0 182.244 2.087 10 0 AEAERN Cc1cccnc1NCC(C)(F)F 575465746 352264519 /nfs/dbraw/zinc/26/45/19/352264519.db2.gz KKCLWTQFTBRZAT-UHFFFAOYSA-N 0 0 186.205 2.457 10 0 AEAERN Cc1ccsc1[C@@H]1CC(=O)CO1 575465766 352264759 /nfs/dbraw/zinc/26/47/59/352264759.db2.gz LQYNVLCAULDHGW-QMMMGPOBSA-N 0 0 182.244 2.087 10 0 AEAERN c1ncc(CNc2cnsc2)s1 575465785 352264763 /nfs/dbraw/zinc/26/47/63/352264763.db2.gz REWNDZYSZYMBED-UHFFFAOYSA-N 0 0 197.288 2.212 10 0 AEAERN CCC(F)(F)c1nnc(Cl)o1 575465861 352265524 /nfs/dbraw/zinc/26/55/24/352265524.db2.gz WXIULEJPZQODLP-UHFFFAOYSA-N 0 0 182.557 2.225 10 0 AEAERN Cc1ncsc1[C@H]1CCCC1=O 575466613 352267219 /nfs/dbraw/zinc/26/72/19/352267219.db2.gz LABNBRGNOHOOKW-ZETCQYMHSA-N 0 0 181.260 2.288 10 0 AEAERN Cc1ccoc1C(=O)c1cncs1 575466680 352267229 /nfs/dbraw/zinc/26/72/29/352267229.db2.gz IUEPLPFTTGOYCU-UHFFFAOYSA-N 0 0 193.227 2.276 10 0 AEAERN Fc1ccnc(Cc2cccs2)n1 575466704 352267242 /nfs/dbraw/zinc/26/72/42/352267242.db2.gz WCHPDXUCXOUXOC-UHFFFAOYSA-N 0 0 194.234 2.268 10 0 AEAERN Cc1ncsc1[C@@H]1CCCC1=O 575466612 352267310 /nfs/dbraw/zinc/26/73/10/352267310.db2.gz LABNBRGNOHOOKW-SSDOTTSWSA-N 0 0 181.260 2.288 10 0 AEAERN Cc1cn(Cc2cccs2)c(=O)[nH]1 575466667 352267328 /nfs/dbraw/zinc/26/73/28/352267328.db2.gz YYQIPNKDMKJDJV-UHFFFAOYSA-N 0 0 194.259 2.007 10 0 AEAERN CCc1n[nH]c(=S)c2ccccc12 575466467 352267412 /nfs/dbraw/zinc/26/74/12/352267412.db2.gz YFYKGZPUKHYTBS-UHFFFAOYSA-N 0 0 190.271 2.481 10 0 AEAERN Fc1ccnc([C@H]2C[C@@H]3C[C@@H]3C2)n1 575466761 352268436 /nfs/dbraw/zinc/26/84/36/352268436.db2.gz LSKGEMGOUVWZCZ-RNLVFQAGSA-N 0 0 178.210 2.129 10 0 AEAERN Cc1cn(Cc2ccsc2)c(=O)[nH]1 575466871 352268801 /nfs/dbraw/zinc/26/88/01/352268801.db2.gz XDJSCCGIRMTJPO-UHFFFAOYSA-N 0 0 194.259 2.007 10 0 AEAERN Cc1ncsc1-c1ncccc1O 575466866 352268991 /nfs/dbraw/zinc/26/89/91/352268991.db2.gz UKQTZOUBDOJEFJ-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN Oc1ccc(S[C@@H]2CC[C@@H]2O)cc1 575467067 352269515 /nfs/dbraw/zinc/26/95/15/352269515.db2.gz RFPGBBRONAVLNE-VHSXEESVSA-N 0 0 196.271 2.008 10 0 AEAERN Fc1cc(-c2ccc[nH]2)cnc1F 575467132 352269664 /nfs/dbraw/zinc/26/96/64/352269664.db2.gz CPUDWPOXYLASFT-UHFFFAOYSA-N 0 0 180.157 2.355 10 0 AEAERN Oc1ccc(S[C@H]2CC[C@@H]2O)cc1 575467065 352269764 /nfs/dbraw/zinc/26/97/64/352269764.db2.gz RFPGBBRONAVLNE-UWVGGRQHSA-N 0 0 196.271 2.008 10 0 AEAERN Oc1ccc(S[C@H]2CC[C@H]2O)cc1 575467071 352269901 /nfs/dbraw/zinc/26/99/01/352269901.db2.gz RFPGBBRONAVLNE-ZJUUUORDSA-N 0 0 196.271 2.008 10 0 AEAERN Oc1ccc(S[C@@H]2CC[C@H]2O)cc1 575467062 352269927 /nfs/dbraw/zinc/26/99/27/352269927.db2.gz RFPGBBRONAVLNE-NXEZZACHSA-N 0 0 196.271 2.008 10 0 AEAERN Cc1cn(CC2(C)CCC2)c(=O)[nH]1 575467055 352269950 /nfs/dbraw/zinc/26/99/50/352269950.db2.gz PXNLJZLCPLZTEV-UHFFFAOYSA-N 0 0 180.251 2.087 10 0 AEAERN Cc1cnc(-c2nccc(F)n2)s1 575467263 352270343 /nfs/dbraw/zinc/27/03/43/352270343.db2.gz DUXMPJUMDGYOED-UHFFFAOYSA-N 0 0 195.222 2.048 10 0 AEAERN Cc1cc(F)nc(-c2cscn2)n1 575467201 352270553 /nfs/dbraw/zinc/27/05/53/352270553.db2.gz ZBBZWLGLSFKCJR-UHFFFAOYSA-N 0 0 195.222 2.048 10 0 AEAERN c1cc(-c2cnn3c2NCC3)cs1 575467323 352270633 /nfs/dbraw/zinc/27/06/33/352270633.db2.gz CMKWZNIKXMMKGS-UHFFFAOYSA-N 0 0 191.259 2.037 10 0 AEAERN Cc1ncc(-c2cccc(=O)[nH]2)s1 575467493 352271055 /nfs/dbraw/zinc/27/10/55/352271055.db2.gz DAAPTJYRAOPEIU-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN Fc1cc2ncnc(F)c2cc1F 575467487 352271396 /nfs/dbraw/zinc/27/13/96/352271396.db2.gz XXGBSXJVUSYNQO-UHFFFAOYSA-N 0 0 184.120 2.047 10 0 AEAERN Cc1cccnc1N[C@H](C)CF 575467644 352271992 /nfs/dbraw/zinc/27/19/92/352271992.db2.gz QLOXCCOEMXBLEZ-MRVPVSSYSA-N 0 0 168.215 2.160 10 0 AEAERN Cc1cccc(N[C@H](C)CF)c1N 575467603 352272032 /nfs/dbraw/zinc/27/20/32/352272032.db2.gz UMOHNJCHYKKZOI-MRVPVSSYSA-N 0 0 182.242 2.347 10 0 AEAERN Cc1cccc(N[C@@H](C)CF)c1N 575467604 352272054 /nfs/dbraw/zinc/27/20/54/352272054.db2.gz UMOHNJCHYKKZOI-QMMMGPOBSA-N 0 0 182.242 2.347 10 0 AEAERN Cc1csc(-c2csc(=O)[nH]2)n1 575467543 352272069 /nfs/dbraw/zinc/27/20/69/352272069.db2.gz RFFWTRHOXXTQIK-UHFFFAOYSA-N 0 0 198.272 2.281 10 0 AEAERN Cc1cccnc1N[C@@H](C)CF 575467645 352272179 /nfs/dbraw/zinc/27/21/79/352272179.db2.gz QLOXCCOEMXBLEZ-QMMMGPOBSA-N 0 0 168.215 2.160 10 0 AEAERN Cc1ccc([C@H](N)c2cncs2)o1 575467717 352272630 /nfs/dbraw/zinc/27/26/30/352272630.db2.gz KDEFWFNUIRNYQR-VIFPVBQESA-N 0 0 194.259 2.093 10 0 AEAERN Cc1ccc([C@@H](N)c2cncs2)o1 575467716 352272669 /nfs/dbraw/zinc/27/26/69/352272669.db2.gz KDEFWFNUIRNYQR-SECBINFHSA-N 0 0 194.259 2.093 10 0 AEAERN Cc1ccoc1-c1nccc(F)n1 575467997 352272735 /nfs/dbraw/zinc/27/27/35/352272735.db2.gz KTUCKCDVRKOZQY-UHFFFAOYSA-N 0 0 178.166 2.184 10 0 AEAERN Cc1cc(CNc2cnsc2)on1 575467756 352272739 /nfs/dbraw/zinc/27/27/39/352272739.db2.gz UPKZWFYKNXQTJI-UHFFFAOYSA-N 0 0 195.247 2.052 10 0 AEAERN Cc1cc(C)c([C@@H](O)C2CC2)[nH]1 575467734 352272830 /nfs/dbraw/zinc/27/28/30/352272830.db2.gz OHGKETDQSSPZFM-JTQLQIEISA-N 0 0 165.236 2.075 10 0 AEAERN Cc1ccc([C@H](O)[C@@H]2CC23CC3)[nH]1 575468065 352273315 /nfs/dbraw/zinc/27/33/15/352273315.db2.gz GXASJLYJJBCSLM-WCBMZHEXSA-N 0 0 177.247 2.157 10 0 AEAERN Cc1ccc([C@@H](O)[C@@H]2CC23CC3)[nH]1 575468066 352273377 /nfs/dbraw/zinc/27/33/77/352273377.db2.gz GXASJLYJJBCSLM-WPRPVWTQSA-N 0 0 177.247 2.157 10 0 AEAERN Cc1ccc([C@@H](O)[C@H]2CC23CC3)[nH]1 575468064 352273408 /nfs/dbraw/zinc/27/34/08/352273408.db2.gz GXASJLYJJBCSLM-SCZZXKLOSA-N 0 0 177.247 2.157 10 0 AEAERN Cc1ccc([C@H](O)[C@H]2CC23CC3)[nH]1 575468063 352273470 /nfs/dbraw/zinc/27/34/70/352273470.db2.gz GXASJLYJJBCSLM-PSASIEDQSA-N 0 0 177.247 2.157 10 0 AEAERN CNc1cncc(Cl)c1C 575487252 352342061 /nfs/dbraw/zinc/34/20/61/352342061.db2.gz BCNOKMPFVJQJJY-UHFFFAOYSA-N 0 0 156.616 2.085 10 0 AEAERN Oc1c[nH]c([C@H]2CCCC23CC3)n1 575468786 352276266 /nfs/dbraw/zinc/27/62/66/352276266.db2.gz KIGZLROREUXYLR-SSDOTTSWSA-N 0 0 178.235 2.163 10 0 AEAERN C/C=C/[C@@H](O)c1cc(N)ccc1F 575468728 352276356 /nfs/dbraw/zinc/27/63/56/352276356.db2.gz VGKGLTUSPHKOKL-VMZHVLLKSA-N 0 0 181.210 2.017 10 0 AEAERN CC1(C)C[NH2+][C@H]1c1ccncc1Cl 575468831 352276399 /nfs/dbraw/zinc/27/63/99/352276399.db2.gz OXXAHDYRRYUPKC-VIFPVBQESA-N 0 0 196.681 2.406 10 0 AEAERN C/C=C/[C@H](O)c1cc(N)ccc1F 575468727 352276412 /nfs/dbraw/zinc/27/64/12/352276412.db2.gz VGKGLTUSPHKOKL-PBKGFPTLSA-N 0 0 181.210 2.017 10 0 AEAERN CC(C)(C(=O)C1CC1)C(F)F 575468768 352276498 /nfs/dbraw/zinc/27/64/98/352276498.db2.gz FOJJKWPFYMUALU-UHFFFAOYSA-N 0 0 162.179 2.257 10 0 AEAERN Fc1nccc2ccsc12 575468789 352276502 /nfs/dbraw/zinc/27/65/02/352276502.db2.gz KQXKQOFRIHTWII-UHFFFAOYSA-N 0 0 153.181 2.435 10 0 AEAERN CC1(C)C[NH2+][C@@H]1c1ccncc1Cl 575468830 352276518 /nfs/dbraw/zinc/27/65/18/352276518.db2.gz OXXAHDYRRYUPKC-SECBINFHSA-N 0 0 196.681 2.406 10 0 AEAERN Oc1c[nH]c([C@@H]2CCCC23CC3)n1 575468787 352276524 /nfs/dbraw/zinc/27/65/24/352276524.db2.gz KIGZLROREUXYLR-ZETCQYMHSA-N 0 0 178.235 2.163 10 0 AEAERN Cc1nc([C@H]2CCCSCC2)n[nH]1 575469125 352277767 /nfs/dbraw/zinc/27/77/67/352277767.db2.gz PWZLPQLQMATQPV-QMMMGPOBSA-N 0 0 197.307 2.114 10 0 AEAERN Cc1nc([C@@H]2CCCSCC2)n[nH]1 575469124 352278023 /nfs/dbraw/zinc/27/80/23/352278023.db2.gz PWZLPQLQMATQPV-MRVPVSSYSA-N 0 0 197.307 2.114 10 0 AEAERN CSc1nc(Cl)nc2cc[nH]c12 575469250 352278578 /nfs/dbraw/zinc/27/85/78/352278578.db2.gz WYNBBLSOWOMSDF-UHFFFAOYSA-N 0 0 199.666 2.333 10 0 AEAERN O=Cc1ccncc1-c1cscn1 575469333 352279276 /nfs/dbraw/zinc/27/92/76/352279276.db2.gz KBIDRUQWHSIMBB-UHFFFAOYSA-N 0 0 190.227 2.018 10 0 AEAERN Cc1ccsc1-c1c(N)cnn1C 575469332 352279508 /nfs/dbraw/zinc/27/95/08/352279508.db2.gz SSGIZINLMCFVDT-UHFFFAOYSA-N 0 0 193.275 2.039 10 0 AEAERN COc1cc([C@H]2CO2)ccc1Cl 575469369 352279360 /nfs/dbraw/zinc/27/93/60/352279360.db2.gz MQDOFSPDWOWXQB-SECBINFHSA-N 0 0 184.622 2.420 10 0 AEAERN Cc1ccc(-c2ccoc2)c(N)n1 575469374 352279611 /nfs/dbraw/zinc/27/96/11/352279611.db2.gz NLGQTEAZDIUFEI-UHFFFAOYSA-N 0 0 174.203 2.232 10 0 AEAERN COc1cc([C@@H]2CO2)ccc1Cl 575469370 352279714 /nfs/dbraw/zinc/27/97/14/352279714.db2.gz MQDOFSPDWOWXQB-VIFPVBQESA-N 0 0 184.622 2.420 10 0 AEAERN Cc1cc(-c2cncs2)c[nH]c1=O 575469815 352280067 /nfs/dbraw/zinc/28/00/67/352280067.db2.gz HFRHGZSGYMWDBI-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN O=C(C(F)F)[C@@H]1CCCSCC1 575469734 352280206 /nfs/dbraw/zinc/28/02/06/352280206.db2.gz FVELZVBJANHQPA-ZCFIWIBFSA-N 0 0 194.246 2.354 10 0 AEAERN O=C(C(F)F)[C@H]1CCCSCC1 575469733 352280342 /nfs/dbraw/zinc/28/03/42/352280342.db2.gz FVELZVBJANHQPA-LURJTMIESA-N 0 0 194.246 2.354 10 0 AEAERN Fc1ncnc(F)c1C1CCCC1 575469766 352280387 /nfs/dbraw/zinc/28/03/87/352280387.db2.gz OVQYTGLWIHACSP-UHFFFAOYSA-N 0 0 184.189 2.412 10 0 AEAERN CC(C)c1cc(F)nc(Cl)n1 575469757 352280445 /nfs/dbraw/zinc/28/04/45/352280445.db2.gz LWDLLFKDJDWURQ-UHFFFAOYSA-N 0 0 174.606 2.393 10 0 AEAERN Cc1cc([C@H](O)[C@@H]2C[C@H]2C)c(C)[nH]1 575469960 352280866 /nfs/dbraw/zinc/28/08/66/352280866.db2.gz BJOYYNVCVXWRIZ-KNBVPPQFSA-N 0 0 179.263 2.321 10 0 AEAERN Cc1cc([C@H](O)[C@H]2C[C@H]2C)c(C)[nH]1 575469961 352280912 /nfs/dbraw/zinc/28/09/12/352280912.db2.gz BJOYYNVCVXWRIZ-OUAIYISWSA-N 0 0 179.263 2.321 10 0 AEAERN Cc1cc([C@H](O)[C@@H]2C[C@@H]2C)c(C)[nH]1 575469962 352281138 /nfs/dbraw/zinc/28/11/38/352281138.db2.gz BJOYYNVCVXWRIZ-PTHKFVFGSA-N 0 0 179.263 2.321 10 0 AEAERN Cc1cc([C@H](O)[C@H]2C[C@@H]2C)c(C)[nH]1 575469954 352281184 /nfs/dbraw/zinc/28/11/84/352281184.db2.gz BJOYYNVCVXWRIZ-DQBIJJQNSA-N 0 0 179.263 2.321 10 0 AEAERN C1=CO[C@H](CNc2cnsc2)CC1 575470212 352282397 /nfs/dbraw/zinc/28/23/97/352282397.db2.gz FBUNMOVBMYLCKK-VIFPVBQESA-N 0 0 196.275 2.248 10 0 AEAERN C1=CO[C@@H](CNc2cnsc2)CC1 575470206 352282428 /nfs/dbraw/zinc/28/24/28/352282428.db2.gz FBUNMOVBMYLCKK-SECBINFHSA-N 0 0 196.275 2.248 10 0 AEAERN Cc1nc(Cl)nc(-c2ccoc2)n1 575470693 352283945 /nfs/dbraw/zinc/28/39/45/352283945.db2.gz NYPSLMQTDLPDBX-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN Nc1cc(NCC2=CCCC2)sn1 575470692 352283981 /nfs/dbraw/zinc/28/39/81/352283981.db2.gz LNMVDQZITCMRRM-UHFFFAOYSA-N 0 0 195.291 2.248 10 0 AEAERN Cc1c(F)ncnc1SC(C)C 575470755 352283990 /nfs/dbraw/zinc/28/39/90/352283990.db2.gz IMENLIIXRUBMIP-UHFFFAOYSA-N 0 0 186.255 2.425 10 0 AEAERN Cn1cnc(-c2cc(Cl)ccn2)c1 575470790 352284902 /nfs/dbraw/zinc/28/49/02/352284902.db2.gz QWLUFDIHZKKHMD-UHFFFAOYSA-N 0 0 193.637 2.136 10 0 AEAERN Cc1ccc(C(=O)[C@]2(C)C[C@@H]2F)[nH]1 575471012 352285349 /nfs/dbraw/zinc/28/53/49/352285349.db2.gz BQENPRRMSRWYII-WCBMZHEXSA-N 0 0 181.210 2.254 10 0 AEAERN FC1(F)CC(n2cc[nH]c2=S)C1 575471087 352285397 /nfs/dbraw/zinc/28/53/97/352285397.db2.gz XAAZBRWUAUGTDL-UHFFFAOYSA-N 0 0 190.218 2.142 10 0 AEAERN Cc1ccc(C(=O)[C@@]2(C)C[C@@H]2F)[nH]1 575471013 352285513 /nfs/dbraw/zinc/28/55/13/352285513.db2.gz BQENPRRMSRWYII-WPRPVWTQSA-N 0 0 181.210 2.254 10 0 AEAERN Cc1c[nH]c(=S)n1CC(C)(F)F 575471085 352285523 /nfs/dbraw/zinc/28/55/23/352285523.db2.gz WFVKHQLNAAGTRL-UHFFFAOYSA-N 0 0 192.234 2.135 10 0 AEAERN Cc1ccc(C(=O)[C@]2(C)C[C@H]2F)[nH]1 575471010 352285555 /nfs/dbraw/zinc/28/55/55/352285555.db2.gz BQENPRRMSRWYII-PSASIEDQSA-N 0 0 181.210 2.254 10 0 AEAERN Cc1ccc(C(=O)[C@@]2(C)C[C@H]2F)[nH]1 575471011 352285576 /nfs/dbraw/zinc/28/55/76/352285576.db2.gz BQENPRRMSRWYII-SCZZXKLOSA-N 0 0 181.210 2.254 10 0 AEAERN O=C1CSC[C@@H]1CC1CC=CC1 575471132 352285951 /nfs/dbraw/zinc/28/59/51/352285951.db2.gz LUMCRFXNZPKSCA-VIFPVBQESA-N 0 0 182.288 2.275 10 0 AEAERN Nc1ncccc1CC1CC=CC1 575471186 352286249 /nfs/dbraw/zinc/28/62/49/352286249.db2.gz ZHAOCCCOTXZJGL-UHFFFAOYSA-N 0 0 174.247 2.173 10 0 AEAERN O=C1CSC[C@H]1CC1CC=CC1 575471131 352286318 /nfs/dbraw/zinc/28/63/18/352286318.db2.gz LUMCRFXNZPKSCA-SECBINFHSA-N 0 0 182.288 2.275 10 0 AEAERN Fc1cc(S[C@@H]2CCOC2)ccn1 575471530 352286514 /nfs/dbraw/zinc/28/65/14/352286514.db2.gz KZOCFWPLCDNLGQ-MRVPVSSYSA-N 0 0 199.250 2.102 10 0 AEAERN Fc1cc(S[C@H]2CCOC2)ccn1 575471531 352286646 /nfs/dbraw/zinc/28/66/46/352286646.db2.gz KZOCFWPLCDNLGQ-QMMMGPOBSA-N 0 0 199.250 2.102 10 0 AEAERN Cc1cnc(-c2cncs2)c(N)c1 575471512 352286681 /nfs/dbraw/zinc/28/66/81/352286681.db2.gz FSILBRYSPDIDTD-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN CSCc1csc(C=O)c1 575471299 352286907 /nfs/dbraw/zinc/28/69/07/352286907.db2.gz ROFGIQPMLWWWDP-UHFFFAOYSA-N 0 0 172.274 2.424 10 0 AEAERN S=c1[nH]c(C2(Cl)CC2)co1 575471825 352288115 /nfs/dbraw/zinc/28/81/15/352288115.db2.gz MFGWYHTVLGPHCX-UHFFFAOYSA-N 0 0 175.640 2.191 10 0 AEAERN FC1(F)CCc2[nH]c(=S)oc2C1 575471874 352288120 /nfs/dbraw/zinc/28/81/20/352288120.db2.gz WHBXYVKWRVCWOP-UHFFFAOYSA-N 0 0 191.202 2.087 10 0 AEAERN O=c1ccn([C@H]2C=CCC2)c(=S)[nH]1 575472031 352288657 /nfs/dbraw/zinc/28/86/57/352288657.db2.gz RCNVONKILSFFJH-ZETCQYMHSA-N 0 0 194.259 2.209 10 0 AEAERN Cc1ccc([C@H](O)C(C)(C)F)[nH]1 575471933 352288691 /nfs/dbraw/zinc/28/86/91/352288691.db2.gz ANZUWFIIUHNXTA-QMMMGPOBSA-N 0 0 171.215 2.105 10 0 AEAERN Cc1ccc([C@@H](O)C(C)(C)F)[nH]1 575471932 352288940 /nfs/dbraw/zinc/28/89/40/352288940.db2.gz ANZUWFIIUHNXTA-MRVPVSSYSA-N 0 0 171.215 2.105 10 0 AEAERN O=c1ccn([C@@H]2C=CCC2)c(=S)[nH]1 575472030 352288988 /nfs/dbraw/zinc/28/89/88/352288988.db2.gz RCNVONKILSFFJH-SSDOTTSWSA-N 0 0 194.259 2.209 10 0 AEAERN Fc1cc(-c2cscn2)cnc1F 575472061 352289021 /nfs/dbraw/zinc/28/90/21/352289021.db2.gz HLOJVIGSPJSZBF-UHFFFAOYSA-N 0 0 198.197 2.483 10 0 AEAERN CCc1nc(-c2ncc[nH]2)cs1 575472155 352289581 /nfs/dbraw/zinc/28/95/81/352289581.db2.gz BERPIFLHDRHXAM-UHFFFAOYSA-N 0 0 179.248 2.096 10 0 AEAERN Cc1cc(F)nc(-c2ccco2)n1 575472247 352289660 /nfs/dbraw/zinc/28/96/60/352289660.db2.gz PYRGMIQKURAHMS-UHFFFAOYSA-N 0 0 178.166 2.184 10 0 AEAERN Cc1cc(F)nc([C@@H]2CCSC2)n1 575472093 352289669 /nfs/dbraw/zinc/28/96/69/352289669.db2.gz QAPOWPOUIYNIAH-SSDOTTSWSA-N 0 0 198.266 2.145 10 0 AEAERN Cc1cc(F)nc([C@H]2CCSC2)n1 575472094 352289695 /nfs/dbraw/zinc/28/96/95/352289695.db2.gz 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/nfs/dbraw/zinc/43/09/31/352430931.db2.gz XXNZETFIAFOJSK-NTSWFWBYSA-N 0 0 199.241 2.237 10 0 AEAERN C[C@H]1CCN[C@@H](CC(F)(F)F)S1 575505351 352430981 /nfs/dbraw/zinc/43/09/81/352430981.db2.gz UHCTVRVJEOBROF-NTSWFWBYSA-N 0 0 199.241 2.380 10 0 AEAERN CCC(=O)[C@@H](C)C1CCC1 575505371 352430993 /nfs/dbraw/zinc/43/09/93/352430993.db2.gz ZFKNYWOHGHBEHQ-ZETCQYMHSA-N 0 0 140.226 2.402 10 0 AEAERN C[C@@H]1CN[C@H](CC(F)(F)F)SC1 575505473 352431040 /nfs/dbraw/zinc/43/10/40/352431040.db2.gz XXNZETFIAFOJSK-RITPCOANSA-N 0 0 199.241 2.237 10 0 AEAERN C[C@@H]1CCN[C@@H](CC(F)(F)F)S1 575505353 352431050 /nfs/dbraw/zinc/43/10/50/352431050.db2.gz UHCTVRVJEOBROF-PHDIDXHHSA-N 0 0 199.241 2.380 10 0 AEAERN O=Cc1cnc([C@@H]2C[C@@H]3C[C@@H]3C2)o1 575505684 352431519 /nfs/dbraw/zinc/43/15/19/352431519.db2.gz RAXZOEUYAMPULH-JIGDXULJSA-N 0 0 177.203 2.001 10 0 AEAERN Cc1nc(C(=N)NC(C)(C)C)cs1 575505534 352431564 /nfs/dbraw/zinc/43/15/64/352431564.db2.gz PKVQCDYMCCAERV-UHFFFAOYSA-N 0 0 197.307 2.165 10 0 AEAERN 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CC[C@@H]1C[C@H](Nc2nccs2)CO1 575509948 352457208 /nfs/dbraw/zinc/45/72/08/352457208.db2.gz RKLFITFSWDGQFD-JGVFFNPUSA-N 0 0 198.291 2.123 10 0 AEAERN CC[C@H]1C[C@@H](Nc2nccs2)CO1 575509949 352457318 /nfs/dbraw/zinc/45/73/18/352457318.db2.gz RKLFITFSWDGQFD-SFYZADRCSA-N 0 0 198.291 2.123 10 0 AEAERN CC[C@H]1C[C@H](Nc2nccs2)CO1 575509950 352457409 /nfs/dbraw/zinc/45/74/09/352457409.db2.gz RKLFITFSWDGQFD-YUMQZZPRSA-N 0 0 198.291 2.123 10 0 AEAERN CCSc1ccc(N)c(N)c1F 575510121 352458041 /nfs/dbraw/zinc/45/80/41/352458041.db2.gz VVYIBUNVAMXFGC-UHFFFAOYSA-N 0 0 186.255 2.102 10 0 AEAERN CC[C@@H]1C[C@H](Nc2cnsc2)CO1 575510218 352458607 /nfs/dbraw/zinc/45/86/07/352458607.db2.gz YDSOJGJMKYIOMY-IONNQARKSA-N 0 0 198.291 2.123 10 0 AEAERN CC[C@H]1C[C@H](Nc2cnsc2)CO1 575510217 352458705 /nfs/dbraw/zinc/45/87/05/352458705.db2.gz YDSOJGJMKYIOMY-CBAPKCEASA-N 0 0 198.291 2.123 10 0 AEAERN CC[C@H]1C[C@@H](Nc2cnsc2)CO1 575510216 352458749 /nfs/dbraw/zinc/45/87/49/352458749.db2.gz YDSOJGJMKYIOMY-APPZFPTMSA-N 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/nfs/dbraw/zinc/46/45/69/352464569.db2.gz BWSPMFXVAHWQOT-QWRGUYRKSA-N 0 0 181.279 2.091 10 0 AEAERN COC(=O)N[C@@H]1CCCC2(CC2)C1 575511512 352467120 /nfs/dbraw/zinc/46/71/20/352467120.db2.gz FMSKWQAHYNWMPR-MRVPVSSYSA-N 0 0 183.251 2.065 10 0 AEAERN COC(=O)N[C@H]1CCCC2(CC2)C1 575511513 352467152 /nfs/dbraw/zinc/46/71/52/352467152.db2.gz FMSKWQAHYNWMPR-QMMMGPOBSA-N 0 0 183.251 2.065 10 0 AEAERN CCC(=O)N[C@@H]1CCCC2(CC2)C1 575511632 352467755 /nfs/dbraw/zinc/46/77/55/352467755.db2.gz HFCSZTQMAYQWCV-SECBINFHSA-N 0 0 181.279 2.235 10 0 AEAERN CCC(=O)N[C@H]1CCCC2(CC2)C1 575511633 352467814 /nfs/dbraw/zinc/46/78/14/352467814.db2.gz HFCSZTQMAYQWCV-VIFPVBQESA-N 0 0 181.279 2.235 10 0 AEAERN N#CN[C@@H]1CCCC[C@@H]1C1CC1 575511752 352468540 /nfs/dbraw/zinc/46/85/40/352468540.db2.gz HVJCPEQUZAIAEU-NXEZZACHSA-N 0 0 164.252 2.026 10 0 AEAERN N#CN[C@H]1CCCC[C@H]1C1CC1 575511753 352468565 /nfs/dbraw/zinc/46/85/65/352468565.db2.gz HVJCPEQUZAIAEU-UWVGGRQHSA-N 0 0 164.252 2.026 10 0 AEAERN CCC(=O)C1=C(O)CCC2(CC2)C1 575511837 352468589 /nfs/dbraw/zinc/46/85/89/352468589.db2.gz WPRMGZYKXCLIAF-MRVPVSSYSA-N 0 0 180.247 2.115 10 0 AEAERN N#CN[C@H]1CCCC[C@@H]1C1CC1 575511755 352468614 /nfs/dbraw/zinc/46/86/14/352468614.db2.gz HVJCPEQUZAIAEU-ZJUUUORDSA-N 0 0 164.252 2.026 10 0 AEAERN CCC(=O)C1=C(O)CCC2(CC2)C1 575511838 352468836 /nfs/dbraw/zinc/46/88/36/352468836.db2.gz WPRMGZYKXCLIAF-QMMMGPOBSA-N 0 0 180.247 2.115 10 0 AEAERN N#CN[C@@H]1CCCC[C@H]1C1CC1 575511754 352468871 /nfs/dbraw/zinc/46/88/71/352468871.db2.gz HVJCPEQUZAIAEU-VHSXEESVSA-N 0 0 164.252 2.026 10 0 AEAERN CC(=O)NC[C@H]1CCCC2(CC2)C1 575512001 352470247 /nfs/dbraw/zinc/47/02/47/352470247.db2.gz JTRQCVVHZIUWJE-JTQLQIEISA-N 0 0 181.279 2.093 10 0 AEAERN CC(=O)NC[C@@H]1CCCC2(CC2)C1 575512002 352470387 /nfs/dbraw/zinc/47/03/87/352470387.db2.gz JTRQCVVHZIUWJE-SNVBAGLBSA-N 0 0 181.279 2.093 10 0 AEAERN N#CNC1CCC(C2CCC2)CC1 575512136 352470856 /nfs/dbraw/zinc/47/08/56/352470856.db2.gz KYXOTYLWIFSDGZ-UHFFFAOYSA-N 0 0 178.279 2.416 10 0 AEAERN C=CC(=O)NC1CCC2(CC1)CC2 575512307 352471799 /nfs/dbraw/zinc/47/17/99/352471799.db2.gz MQDBVZOOCGHCSV-UHFFFAOYSA-N 0 0 179.263 2.011 10 0 AEAERN CC1(C)CCC[C@@H](NC#N)CC1 575512839 352474372 /nfs/dbraw/zinc/47/43/72/352474372.db2.gz RCVPINUZVKLROA-SECBINFHSA-N 0 0 166.268 2.416 10 0 AEAERN CC1(C)CCC[C@H](NC#N)CC1 575512841 352474538 /nfs/dbraw/zinc/47/45/38/352474538.db2.gz RCVPINUZVKLROA-VIFPVBQESA-N 0 0 166.268 2.416 10 0 AEAERN C=CC(=O)N[C@@H]1CCCC2(CC2)C1 575512879 352475205 /nfs/dbraw/zinc/47/52/05/352475205.db2.gz UTHSVWYETFRDPF-SECBINFHSA-N 0 0 179.263 2.011 10 0 AEAERN C=CC(=O)N[C@H]1CCCC2(CC2)C1 575512881 352475252 /nfs/dbraw/zinc/47/52/52/352475252.db2.gz UTHSVWYETFRDPF-VIFPVBQESA-N 0 0 179.263 2.011 10 0 AEAERN N#CNC[C@H]1CCCC2(CC2)C1 575513054 352476006 /nfs/dbraw/zinc/47/60/06/352476006.db2.gz XZTVIPPXDUMDQP-VIFPVBQESA-N 0 0 164.252 2.027 10 0 AEAERN O=CNC1CCC(C2CCC2)CC1 575513041 352476053 /nfs/dbraw/zinc/47/60/53/352476053.db2.gz XULZSZOGJRFRRI-UHFFFAOYSA-N 0 0 181.279 2.091 10 0 AEAERN N#CNC[C@@H]1CCCC2(CC2)C1 575513053 352476067 /nfs/dbraw/zinc/47/60/67/352476067.db2.gz XZTVIPPXDUMDQP-SECBINFHSA-N 0 0 164.252 2.027 10 0 AEAERN CCNC(=O)[C@@H]1CCCC2(CC2)C1 575513102 352476508 /nfs/dbraw/zinc/47/65/08/352476508.db2.gz ZPZCCAFJJCMDKH-SECBINFHSA-N 0 0 181.279 2.093 10 0 AEAERN CCNC(=O)[C@H]1CCCC2(CC2)C1 575513103 352476770 /nfs/dbraw/zinc/47/67/70/352476770.db2.gz ZPZCCAFJJCMDKH-VIFPVBQESA-N 0 0 181.279 2.093 10 0 AEAERN CC[C@@H](C)Nc1ncnc(F)c1C 575513736 352479560 /nfs/dbraw/zinc/47/95/60/352479560.db2.gz FWJQGRZGBXXLCE-ZCFIWIBFSA-N 0 0 183.230 2.135 10 0 AEAERN CC[C@H](C)Nc1ncnc(F)c1C 575513735 352479610 /nfs/dbraw/zinc/47/96/10/352479610.db2.gz FWJQGRZGBXXLCE-LURJTMIESA-N 0 0 183.230 2.135 10 0 AEAERN Cc1cccc(N2CC(C)C2)c1N 575513849 352480507 /nfs/dbraw/zinc/48/05/07/352480507.db2.gz ACFKKXARAPZBIT-UHFFFAOYSA-N 0 0 176.263 2.033 10 0 AEAERN Cc1ccnc(-c2cncs2)c1N 575513901 352480679 /nfs/dbraw/zinc/48/06/79/352480679.db2.gz BFOKCNHYLXZMLW-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN O=Cc1ccc(N2CC[C@H](F)C2)s1 575513971 352481166 /nfs/dbraw/zinc/48/11/66/352481166.db2.gz DGXGFGXIQZPODH-ZETCQYMHSA-N 0 0 199.250 2.109 10 0 AEAERN O=Cc1ccc(N2CC[C@@H](F)C2)s1 575513970 352481489 /nfs/dbraw/zinc/48/14/89/352481489.db2.gz DGXGFGXIQZPODH-SSDOTTSWSA-N 0 0 199.250 2.109 10 0 AEAERN Cc1ncsc1-c1cc(N)ccn1 575513959 352481581 /nfs/dbraw/zinc/48/15/81/352481581.db2.gz CUSULFKCLRRZRC-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1cnc(N)c(-c2cncs2)c1 575514420 352483507 /nfs/dbraw/zinc/48/35/07/352483507.db2.gz HTUVWBTYQKAHMC-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1ncsc1[C@H]([NH3+])[C@H]1CC1(C)C 575514568 352484330 /nfs/dbraw/zinc/48/43/30/352484330.db2.gz KWOKQERSCJTNIP-HTQZYQBOSA-N 0 0 196.319 2.497 10 0 AEAERN Cc1cccc(N)c1N1CC(C)C1 575514562 352484440 /nfs/dbraw/zinc/48/44/40/352484440.db2.gz IXPPCICSMZLPEJ-UHFFFAOYSA-N 0 0 176.263 2.033 10 0 AEAERN Cc1ncsc1[C@H]([NH3+])[C@@H]1CC1(C)C 575514569 352484460 /nfs/dbraw/zinc/48/44/60/352484460.db2.gz KWOKQERSCJTNIP-JGVFFNPUSA-N 0 0 196.319 2.497 10 0 AEAERN Cc1ncsc1[C@@H]([NH3+])[C@@H]1CC1(C)C 575514577 352484472 /nfs/dbraw/zinc/48/44/72/352484472.db2.gz KWOKQERSCJTNIP-YUMQZZPRSA-N 0 0 196.319 2.497 10 0 AEAERN Cc1c(F)ncnc1NC(C)(C)C 575514543 352484527 /nfs/dbraw/zinc/48/45/27/352484527.db2.gz KTGHQUVNNHZVEU-UHFFFAOYSA-N 0 0 183.230 2.135 10 0 AEAERN Cc1ncsc1[C@@H]([NH3+])[C@H]1CC1(C)C 575514575 352484543 /nfs/dbraw/zinc/48/45/43/352484543.db2.gz KWOKQERSCJTNIP-SFYZADRCSA-N 0 0 196.319 2.497 10 0 AEAERN Cc1ccoc1[C@H](N)c1cncs1 575514671 352485094 /nfs/dbraw/zinc/48/50/94/352485094.db2.gz LPDWZZOHVMKUBC-MRVPVSSYSA-N 0 0 194.259 2.093 10 0 AEAERN CNc1cccc(-c2cncs2)n1 575514664 352485153 /nfs/dbraw/zinc/48/51/53/352485153.db2.gz JTLPTJFNZZEYNG-UHFFFAOYSA-N 0 0 191.259 2.247 10 0 AEAERN CC1CN(c2cccc(Cl)c2N)C1 575514737 352485218 /nfs/dbraw/zinc/48/52/18/352485218.db2.gz KMGBWNZZHOGTAH-UHFFFAOYSA-N 0 0 196.681 2.378 10 0 AEAERN Cc1ccoc1[C@@H](N)c1cncs1 575514673 352485293 /nfs/dbraw/zinc/48/52/93/352485293.db2.gz LPDWZZOHVMKUBC-QMMMGPOBSA-N 0 0 194.259 2.093 10 0 AEAERN Cc1occc1[C@@H](N)c1cncs1 575514977 352486160 /nfs/dbraw/zinc/48/61/60/352486160.db2.gz NNNVYIRGDSXAEA-SECBINFHSA-N 0 0 194.259 2.093 10 0 AEAERN Cc1occc1[C@H](N)c1cncs1 575514981 352486520 /nfs/dbraw/zinc/48/65/20/352486520.db2.gz NNNVYIRGDSXAEA-VIFPVBQESA-N 0 0 194.259 2.093 10 0 AEAERN Cc1ccc(-c2cncs2)c(N)n1 575515103 352486926 /nfs/dbraw/zinc/48/69/26/352486926.db2.gz MNNOHHNPWYZQSK-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1nc(-c2cncs2)ccc1N 575515161 352487523 /nfs/dbraw/zinc/48/75/23/352487523.db2.gz MYMIQDFFSOBZPF-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN CC1CN(c2c(N)cccc2Cl)C1 575515174 352487634 /nfs/dbraw/zinc/48/76/34/352487634.db2.gz NAIBJJZKDLRBHB-UHFFFAOYSA-N 0 0 196.681 2.378 10 0 AEAERN Cc1c([C@@H]2C[C@@H]2C2CC2)noc1N 575515316 352488099 /nfs/dbraw/zinc/48/80/99/352488099.db2.gz NSKOOKSYJTYXOP-HTQZYQBOSA-N 0 0 178.235 2.079 10 0 AEAERN Cc1c([C@H]2C[C@@H]2C2CC2)noc1N 575515324 352488355 /nfs/dbraw/zinc/48/83/55/352488355.db2.gz NSKOOKSYJTYXOP-SFYZADRCSA-N 0 0 178.235 2.079 10 0 AEAERN Cc1c([C@H]2C[C@H]2C2CC2)noc1N 575515325 352488371 /nfs/dbraw/zinc/48/83/71/352488371.db2.gz NSKOOKSYJTYXOP-YUMQZZPRSA-N 0 0 178.235 2.079 10 0 AEAERN Cc1cc(N)cnc1-c1cncs1 575515546 352489653 /nfs/dbraw/zinc/48/96/53/352489653.db2.gz QMRJQHIQIXUQOY-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1cc(-c2cncs2)ncc1N 575515661 352489944 /nfs/dbraw/zinc/48/99/44/352489944.db2.gz RXTPTQLLLFLYHC-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN Cc1cc(N)cc(N2CC(C)C2)c1 575516225 352492593 /nfs/dbraw/zinc/49/25/93/352492593.db2.gz YFJYJDLBUFQLQM-UHFFFAOYSA-N 0 0 176.263 2.033 10 0 AEAERN Cc1ncsc1[C@@H]([NH3+])C1(C)CC1 575516293 352493680 /nfs/dbraw/zinc/49/36/80/352493680.db2.gz YUURBTNVAGGZLE-MRVPVSSYSA-N 0 0 182.292 2.251 10 0 AEAERN Cc1ncsc1[C@H]([NH3+])C1(C)CC1 575516294 352493713 /nfs/dbraw/zinc/49/37/13/352493713.db2.gz YUURBTNVAGGZLE-QMMMGPOBSA-N 0 0 182.292 2.251 10 0 AEAERN O=Cc1ncc(-c2cncs2)s1 575516734 352493858 /nfs/dbraw/zinc/49/38/58/352493858.db2.gz AJASJRMXQDZLBQ-UHFFFAOYSA-N 0 0 196.256 2.079 10 0 AEAERN Cc1ncsc1C(=O)C(C)(F)F 575516763 352493937 /nfs/dbraw/zinc/49/39/37/352493937.db2.gz AUEHDGHULJVXFC-UHFFFAOYSA-N 0 0 191.202 2.289 10 0 AEAERN O=C1CCC[C@H](c2cncs2)C1 575516851 352494522 /nfs/dbraw/zinc/49/45/22/352494522.db2.gz DWKUZAKFAHMXOW-ZETCQYMHSA-N 0 0 181.260 2.370 10 0 AEAERN O=C1CCC[C@@H](c2cncs2)C1 575516849 352494526 /nfs/dbraw/zinc/49/45/26/352494526.db2.gz DWKUZAKFAHMXOW-SSDOTTSWSA-N 0 0 181.260 2.370 10 0 AEAERN Cc1ncsc1[C@@H]1CCC(=O)C1 575516867 352494573 /nfs/dbraw/zinc/49/45/73/352494573.db2.gz FMEXKHWZJGLXEF-SSDOTTSWSA-N 0 0 181.260 2.288 10 0 AEAERN Cc1ncsc1[C@H]1CCC(=O)C1 575516875 352495005 /nfs/dbraw/zinc/49/50/05/352495005.db2.gz FMEXKHWZJGLXEF-ZETCQYMHSA-N 0 0 181.260 2.288 10 0 AEAERN Nc1ccc([C@@H](O)C2CC2)cc1Cl 575516972 352495267 /nfs/dbraw/zinc/49/52/67/352495267.db2.gz GTVKCBYQJMLIGO-JTQLQIEISA-N 0 0 197.665 2.366 10 0 AEAERN CC[C@H](O)c1ccc(N)c(Cl)c1 575517091 352495325 /nfs/dbraw/zinc/49/53/25/352495325.db2.gz JMIKSPLCCZZPQG-VIFPVBQESA-N 0 0 185.654 2.366 10 0 AEAERN Nc1ccc([C@H](O)C2CC2)cc1Cl 575516974 352495561 /nfs/dbraw/zinc/49/55/61/352495561.db2.gz GTVKCBYQJMLIGO-SNVBAGLBSA-N 0 0 197.665 2.366 10 0 AEAERN CC[C@@H](O)c1ccc(N)c(Cl)c1 575517090 352495577 /nfs/dbraw/zinc/49/55/77/352495577.db2.gz JMIKSPLCCZZPQG-SECBINFHSA-N 0 0 185.654 2.366 10 0 AEAERN CC(=O)C[C@H](C)c1cncs1 575517171 352495912 /nfs/dbraw/zinc/49/59/12/352495912.db2.gz HCQNJSRYWFYZPP-LURJTMIESA-N 0 0 169.249 2.226 10 0 AEAERN CC(=O)C[C@@H](C)c1cncs1 575517172 352496048 /nfs/dbraw/zinc/49/60/48/352496048.db2.gz HCQNJSRYWFYZPP-ZCFIWIBFSA-N 0 0 169.249 2.226 10 0 AEAERN Cc1occc1C(=O)c1cncs1 575517204 352496364 /nfs/dbraw/zinc/49/63/64/352496364.db2.gz IPDYESUYHPRNRE-UHFFFAOYSA-N 0 0 193.227 2.276 10 0 AEAERN Cc1ncsc1C(=O)C1(C)CC1 575517393 352496693 /nfs/dbraw/zinc/49/66/93/352496693.db2.gz FLPHTXLDXUMUJB-UHFFFAOYSA-N 0 0 181.260 2.434 10 0 AEAERN Cc1ncsc1[C@@]1(C)CCC(=O)C1 575517529 352497257 /nfs/dbraw/zinc/49/72/57/352497257.db2.gz KOHZCSPMTMAAOS-JTQLQIEISA-N 0 0 195.287 2.462 10 0 AEAERN Cc1ncsc1[C@]1(C)CCC(=O)C1 575517534 352497345 /nfs/dbraw/zinc/49/73/45/352497345.db2.gz KOHZCSPMTMAAOS-SNVBAGLBSA-N 0 0 195.287 2.462 10 0 AEAERN C[C@@]1(c2cncs2)CCC(=O)C1 575517527 352497489 /nfs/dbraw/zinc/49/74/89/352497489.db2.gz KGRSQQPPENGWFD-SECBINFHSA-N 0 0 181.260 2.154 10 0 AEAERN C[C@]1(c2cncs2)CCC(=O)C1 575517528 352497505 /nfs/dbraw/zinc/49/75/05/352497505.db2.gz KGRSQQPPENGWFD-VIFPVBQESA-N 0 0 181.260 2.154 10 0 AEAERN C[C@@]1(C(=O)c2cncs2)C[C@H]1F 575517908 352499044 /nfs/dbraw/zinc/49/90/44/352499044.db2.gz OKBKGDCPSOXRMA-HTRCEHHLSA-N 0 0 185.223 2.074 10 0 AEAERN C[C@]1(C(=O)c2cncs2)C[C@@H]1F 575517911 352499048 /nfs/dbraw/zinc/49/90/48/352499048.db2.gz OKBKGDCPSOXRMA-XPUUQOCRSA-N 0 0 185.223 2.074 10 0 AEAERN O=C(c1cncs1)[C@H]1C[C@@H]2C[C@@H]2C1 575517849 352499051 /nfs/dbraw/zinc/49/90/51/352499051.db2.gz MJHRLZYNIBWBGK-RNLVFQAGSA-N 0 0 193.271 2.372 10 0 AEAERN O=C1CCCC[C@@H]1c1cncs1 575517932 352499079 /nfs/dbraw/zinc/49/90/79/352499079.db2.gz PMLJJYSJELBYGH-ZETCQYMHSA-N 0 0 181.260 2.370 10 0 AEAERN O=C1CCCC[C@H]1c1cncs1 575517931 352499198 /nfs/dbraw/zinc/49/91/98/352499198.db2.gz PMLJJYSJELBYGH-SSDOTTSWSA-N 0 0 181.260 2.370 10 0 AEAERN C[C@@]1(C(=O)c2cncs2)C[C@@H]1F 575517909 352499238 /nfs/dbraw/zinc/49/92/38/352499238.db2.gz OKBKGDCPSOXRMA-POYBYMJQSA-N 0 0 185.223 2.074 10 0 AEAERN O=C(c1cncs1)C(F)(F)Cl 575517890 352499305 /nfs/dbraw/zinc/49/93/05/352499305.db2.gz NMUSFXHPJDUJOW-UHFFFAOYSA-N 0 0 197.593 2.157 10 0 AEAERN O=C(c1cncs1)[C@@H]1[C@H]2CCC[C@H]21 575517866 352499378 /nfs/dbraw/zinc/49/93/78/352499378.db2.gz MXEBCUZODUWUEY-QMSLJYSESA-N 0 0 193.271 2.372 10 0 AEAERN C[C@]1(C(=O)c2cncs2)C[C@H]1F 575517910 352499527 /nfs/dbraw/zinc/49/95/27/352499527.db2.gz OKBKGDCPSOXRMA-SVRRBLITSA-N 0 0 185.223 2.074 10 0 AEAERN Cc1ncsc1C(=O)[C@H]1C[C@H]1C 575518015 352499724 /nfs/dbraw/zinc/49/97/24/352499724.db2.gz JDANKPWZHXOTGZ-VDTYLAMSSA-N 0 0 181.260 2.290 10 0 AEAERN CC1(C)CCC[C@@H](NC=O)CC1 575518055 352499794 /nfs/dbraw/zinc/49/97/94/352499794.db2.gz FEVLZKPHAGCHGY-SECBINFHSA-N 0 0 169.268 2.091 10 0 AEAERN Cc1ncsc1C(=O)[C@@H]1C[C@H]1C 575518014 352499802 /nfs/dbraw/zinc/49/98/02/352499802.db2.gz JDANKPWZHXOTGZ-IYSWYEEDSA-N 0 0 181.260 2.290 10 0 AEAERN Cc1ncsc1C(=O)[C@@H]1C[C@@H]1C 575518012 352500005 /nfs/dbraw/zinc/50/00/05/352500005.db2.gz JDANKPWZHXOTGZ-CAHLUQPWSA-N 0 0 181.260 2.290 10 0 AEAERN Cc1ncsc1C(=O)[C@H]1C[C@@H]1C 575518013 352500082 /nfs/dbraw/zinc/50/00/82/352500082.db2.gz JDANKPWZHXOTGZ-FSPLSTOPSA-N 0 0 181.260 2.290 10 0 AEAERN CC1(C)CCC[C@H](NC=O)CC1 575518056 352500215 /nfs/dbraw/zinc/50/02/15/352500215.db2.gz FEVLZKPHAGCHGY-VIFPVBQESA-N 0 0 169.268 2.091 10 0 AEAERN Cc1ncsc1C(=O)[C@H]1CC12CC2 575518141 352500504 /nfs/dbraw/zinc/50/05/04/352500504.db2.gz LNQYXSLOPSXUKM-SSDOTTSWSA-N 0 0 193.271 2.434 10 0 AEAERN Cc1ncsc1C(=O)[C@@H]1CC12CC2 575518142 352500534 /nfs/dbraw/zinc/50/05/34/352500534.db2.gz LNQYXSLOPSXUKM-ZETCQYMHSA-N 0 0 193.271 2.434 10 0 AEAERN CC(=O)N[C@H]1CCCC(C)(C)CC1 575518101 352500646 /nfs/dbraw/zinc/50/06/46/352500646.db2.gz KXYAFJISMXMNRN-JTQLQIEISA-N 0 0 183.295 2.481 10 0 AEAERN CC(=O)N[C@@H]1CCCC(C)(C)CC1 575518115 352500650 /nfs/dbraw/zinc/50/06/50/352500650.db2.gz KXYAFJISMXMNRN-SNVBAGLBSA-N 0 0 183.295 2.481 10 0 AEAERN C[C@H]1C(=O)CC[C@H]1c1cncs1 575518230 352501302 /nfs/dbraw/zinc/50/13/02/352501302.db2.gz RBZUNGJDZJGQMD-RNFRBKRXSA-N 0 0 181.260 2.226 10 0 AEAERN C[C@@H]1C(=O)CC[C@@H]1c1cncs1 575518228 352501318 /nfs/dbraw/zinc/50/13/18/352501318.db2.gz RBZUNGJDZJGQMD-BQBZGAKWSA-N 0 0 181.260 2.226 10 0 AEAERN O=C(c1cncs1)[C@@H]1CC12CC2 575518252 352501332 /nfs/dbraw/zinc/50/13/32/352501332.db2.gz SISMOZGQLZBOBX-LURJTMIESA-N 0 0 179.244 2.126 10 0 AEAERN CCC(C)(C)Nc1ccnc(F)n1 575518344 352501412 /nfs/dbraw/zinc/50/14/12/352501412.db2.gz NIHAQYKEBVGGCE-UHFFFAOYSA-N 0 0 183.230 2.216 10 0 AEAERN CC1(C(=O)c2cncs2)CC1 575518264 352501542 /nfs/dbraw/zinc/50/15/42/352501542.db2.gz SLAXZTWOZDNKGK-UHFFFAOYSA-N 0 0 167.233 2.126 10 0 AEAERN Cc1ncsc1C(=O)C(C)(C)F 575518301 352501656 /nfs/dbraw/zinc/50/16/56/352501656.db2.gz UEHQDHYMIZPCRJ-UHFFFAOYSA-N 0 0 187.239 2.382 10 0 AEAERN O=C(c1cncs1)[C@H]1CC12CC2 575518257 352501675 /nfs/dbraw/zinc/50/16/75/352501675.db2.gz SISMOZGQLZBOBX-ZCFIWIBFSA-N 0 0 179.244 2.126 10 0 AEAERN C[C@@H]1C(=O)CC[C@H]1c1cncs1 575518229 352501721 /nfs/dbraw/zinc/50/17/21/352501721.db2.gz RBZUNGJDZJGQMD-NKWVEPMBSA-N 0 0 181.260 2.226 10 0 AEAERN C[C@H]1C(=O)CC[C@@H]1c1cncs1 575518232 352501731 /nfs/dbraw/zinc/50/17/31/352501731.db2.gz RBZUNGJDZJGQMD-RQJHMYQMSA-N 0 0 181.260 2.226 10 0 AEAERN O=Cc1occc1-c1cncs1 575518395 352502180 /nfs/dbraw/zinc/50/21/80/352502180.db2.gz UXJRUKJHRDKNSB-UHFFFAOYSA-N 0 0 179.200 2.216 10 0 AEAERN CC1(C)C[C@@H]1C(=O)c1cncs1 575518433 352502258 /nfs/dbraw/zinc/50/22/58/352502258.db2.gz VPYMFMBBHUILCE-ZCFIWIBFSA-N 0 0 181.260 2.372 10 0 AEAERN CC(C)(F)C(=O)c1cncs1 575518492 352502262 /nfs/dbraw/zinc/50/22/62/352502262.db2.gz XHPAJNNQHUBJLG-UHFFFAOYSA-N 0 0 173.212 2.074 10 0 AEAERN CC1(C)C[C@H]1C(=O)c1cncs1 575518431 352502269 /nfs/dbraw/zinc/50/22/69/352502269.db2.gz VPYMFMBBHUILCE-LURJTMIESA-N 0 0 181.260 2.372 10 0 AEAERN Cc1ccc(C(=O)c2cncs2)o1 575518552 352502991 /nfs/dbraw/zinc/50/29/91/352502991.db2.gz ZBIAQYVDTNLSRB-UHFFFAOYSA-N 0 0 193.227 2.276 10 0 AEAERN c1n[nH]cc1N[C@H]1CCCSCC1 575518769 352503878 /nfs/dbraw/zinc/50/38/78/352503878.db2.gz UHWQZYQYWOSOQZ-QMMMGPOBSA-N 0 0 197.307 2.107 10 0 AEAERN c1n[nH]cc1N[C@@H]1CCCSCC1 575518768 352504186 /nfs/dbraw/zinc/50/41/86/352504186.db2.gz UHWQZYQYWOSOQZ-MRVPVSSYSA-N 0 0 197.307 2.107 10 0 AEAERN Cc1ncsc1[C@@H](N)C(C)(F)F 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[NH3+][C@H](c1cncs1)[C@@H]1C[C@@H]2C[C@@H]2C1 575520624 352512979 /nfs/dbraw/zinc/51/29/79/352512979.db2.gz DLBZRLKOTXDWSW-WHQQTDPMSA-N 0 0 194.303 2.189 10 0 AEAERN CC[C@H](C)Nc1cnn(C)c1Cl 575520626 352513161 /nfs/dbraw/zinc/51/31/61/352513161.db2.gz DMTODLXEYCKHMC-LURJTMIESA-N 0 0 187.674 2.284 10 0 AEAERN Cn1ncc(NC2CCC2)c1Cl 575520597 352513201 /nfs/dbraw/zinc/51/32/01/352513201.db2.gz CVMLOCFGLUEVKQ-UHFFFAOYSA-N 0 0 185.658 2.038 10 0 AEAERN [NH3+][C@@H](c1cncs1)[C@@H]1C[C@@H]2C[C@@H]2C1 575520623 352513217 /nfs/dbraw/zinc/51/32/17/352513217.db2.gz DLBZRLKOTXDWSW-CHIQAWFVSA-N 0 0 194.303 2.189 10 0 AEAERN Cn1ncc(NCC2CCC2)c1Cl 575521069 352514723 /nfs/dbraw/zinc/51/47/23/352514723.db2.gz MOTMOUDOXPUTML-UHFFFAOYSA-N 0 0 199.685 2.286 10 0 AEAERN Cn1ncc(NC2CCCC2)c1Cl 575521018 352514773 /nfs/dbraw/zinc/51/47/73/352514773.db2.gz LWVOXLHJNVPWGM-UHFFFAOYSA-N 0 0 199.685 2.428 10 0 AEAERN CC(C)CNc1cnn(C)c1Cl 575521152 352515360 /nfs/dbraw/zinc/51/53/60/352515360.db2.gz 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181.251 2.344 10 0 AEAERN CC(C)NC(=O)[C@]12CCCC[C@H]1C2 575525500 352535247 /nfs/dbraw/zinc/53/52/47/352535247.db2.gz HIOFYZDYTSLZAY-ONGXEEELSA-N 0 0 181.279 2.091 10 0 AEAERN CC(C)NC(=O)[C@@]12CCCC[C@@H]1C2 575525499 352535295 /nfs/dbraw/zinc/53/52/95/352535295.db2.gz HIOFYZDYTSLZAY-MWLCHTKSSA-N 0 0 181.279 2.091 10 0 AEAERN NC(=S)Cc1ccsc1Cl 575525925 352537985 /nfs/dbraw/zinc/53/79/85/352537985.db2.gz LQGOVCDLTIZQKT-UHFFFAOYSA-N 0 0 191.708 2.230 10 0 AEAERN NC(=S)C1C2CC3CC(C2)CC1C3 575526118 352538654 /nfs/dbraw/zinc/53/86/54/352538654.db2.gz OUYKFSUFFCHEJT-UHFFFAOYSA-N 0 0 195.331 2.345 10 0 AEAERN C=C(Cl)C(=O)NC1CC2(CCC2)C1 575526195 352538841 /nfs/dbraw/zinc/53/88/41/352538841.db2.gz QQAITCOVBPMDFJ-UHFFFAOYSA-N 0 0 199.681 2.188 10 0 AEAERN c1csc(NC2(C3CC3)CC2)n1 575526193 352538885 /nfs/dbraw/zinc/53/88/85/352538885.db2.gz QPDHGANJIXDZLZ-UHFFFAOYSA-N 0 0 180.276 2.498 10 0 AEAERN Cc1ccc(-c2ccco2)c(N)n1 575526542 352540018 /nfs/dbraw/zinc/54/00/18/352540018.db2.gz 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352547154 /nfs/dbraw/zinc/54/71/54/352547154.db2.gz IXCNOXQLTUIQNX-UTINFBMNSA-N 0 0 196.315 2.355 10 0 AEAERN CC1CN(c2csc(C=O)c2)C1 575528642 352548405 /nfs/dbraw/zinc/54/84/05/352548405.db2.gz OKBMPNPWVRLXAZ-UHFFFAOYSA-N 0 0 181.260 2.017 10 0 AEAERN CC1CN(c2ccc(C=O)s2)C1 575528527 352548256 /nfs/dbraw/zinc/54/82/56/352548256.db2.gz KGAYHOAJRXKNAI-UHFFFAOYSA-N 0 0 181.260 2.017 10 0 AEAERN CC(=O)C[C@@H]1C[C@H]2C[C@H]2C1 575528608 352548306 /nfs/dbraw/zinc/54/83/06/352548306.db2.gz NLBIAZARWDBPDD-AYMMMOKOSA-N 0 0 138.210 2.012 10 0 AEAERN CNC(=O)c1cc2cscc2s1 575528808 352549516 /nfs/dbraw/zinc/54/95/16/352549516.db2.gz OYEPYNKDKMHTLK-UHFFFAOYSA-N 0 0 197.284 2.322 10 0 AEAERN CC(=O)CC[C@@H]1C[C@H]2C[C@H]2C1 575528925 352549928 /nfs/dbraw/zinc/54/99/28/352549928.db2.gz SHGYYAAYVHBSCC-ILWJIGKKSA-N 0 0 152.237 2.402 10 0 AEAERN Nc1cc([C@@H](O)C2CC2)ccc1Cl 575529068 352549958 /nfs/dbraw/zinc/54/99/58/352549958.db2.gz XXBBWCRSTVYLSS-JTQLQIEISA-N 0 0 197.665 2.366 10 0 AEAERN 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0 150.221 2.012 10 0 AEAERN Cc1cc(Cl)ccc1C(=O)[C@@H](C)O 575539733 352601476 /nfs/dbraw/zinc/60/14/76/352601476.db2.gz AXKQPEGCHMMEDZ-SSDOTTSWSA-N 0 0 198.649 2.212 10 0 AEAERN Cc1cc(Cl)ccc1C(=O)[C@H](C)O 575539734 352601580 /nfs/dbraw/zinc/60/15/80/352601580.db2.gz AXKQPEGCHMMEDZ-ZETCQYMHSA-N 0 0 198.649 2.212 10 0 AEAERN Cc1nc(C2CC(C)(C)C2)n[nH]1 575540608 352604511 /nfs/dbraw/zinc/60/45/11/352604511.db2.gz DLIGSXJMUZXCLA-UHFFFAOYSA-N 0 0 165.240 2.017 10 0 AEAERN Cc1nc([C@H](O)C(C)(C)C)[nH]c1C 575540770 352604853 /nfs/dbraw/zinc/60/48/53/352604853.db2.gz SSCOZAVYMHCYSP-QMMMGPOBSA-N 0 0 182.267 2.106 10 0 AEAERN Cc1nc([C@@H](O)C(C)(C)C)[nH]c1C 575540769 352604887 /nfs/dbraw/zinc/60/48/87/352604887.db2.gz SSCOZAVYMHCYSP-MRVPVSSYSA-N 0 0 182.267 2.106 10 0 AEAERN S=c1[nH]nc(C2CC3(CCC3)C2)[nH]1 575540815 352604926 /nfs/dbraw/zinc/60/49/26/352604926.db2.gz YLWWAXSUWWTOFH-UHFFFAOYSA-N 0 0 195.291 2.141 10 0 AEAERN Cc1c(N)nsc1N1CCC1(C)C 575540994 352605687 /nfs/dbraw/zinc/60/56/87/352605687.db2.gz CHHCFQKGNVWBMH-UHFFFAOYSA-N 0 0 197.307 2.022 10 0 AEAERN C[C@@H]1C[C@H]1CNc1cccnc1F 575541224 352606976 /nfs/dbraw/zinc/60/69/76/352606976.db2.gz IVYIGDAAFONUSS-SFYZADRCSA-N 0 0 180.226 2.289 10 0 AEAERN C[C@H]1C[C@H]1CNc1cccnc1F 575541225 352606950 /nfs/dbraw/zinc/60/69/50/352606950.db2.gz IVYIGDAAFONUSS-YUMQZZPRSA-N 0 0 180.226 2.289 10 0 AEAERN C[C@H]1C[C@@H]1CNc1cccnc1F 575541222 352607025 /nfs/dbraw/zinc/60/70/25/352607025.db2.gz IVYIGDAAFONUSS-JGVFFNPUSA-N 0 0 180.226 2.289 10 0 AEAERN C[C@@H]1C[C@@H]1CNc1cccnc1F 575541221 352607145 /nfs/dbraw/zinc/60/71/45/352607145.db2.gz IVYIGDAAFONUSS-HTQZYQBOSA-N 0 0 180.226 2.289 10 0 AEAERN c1csc(NC[C@@H]2CC23CC3)n1 575541333 352607258 /nfs/dbraw/zinc/60/72/58/352607258.db2.gz FKGJWCKFVHMRPA-ZETCQYMHSA-N 0 0 180.276 2.355 10 0 AEAERN c1csc(NC[C@H]2CC23CC3)n1 575541329 352607319 /nfs/dbraw/zinc/60/73/19/352607319.db2.gz FKGJWCKFVHMRPA-SSDOTTSWSA-N 0 0 180.276 2.355 10 0 AEAERN c1nnsc1N[C@H]1CCCC12CC2 575541404 352607624 /nfs/dbraw/zinc/60/76/24/352607624.db2.gz FTPRFGSDLVCNQM-ZETCQYMHSA-N 0 0 195.291 2.283 10 0 AEAERN c1nnsc1N[C@@H]1CCCC12CC2 575541395 352607848 /nfs/dbraw/zinc/60/78/48/352607848.db2.gz FTPRFGSDLVCNQM-SSDOTTSWSA-N 0 0 195.291 2.283 10 0 AEAERN CC(C)=C[C@H](O)c1c(C)n[nH]c1C 575541589 352608270 /nfs/dbraw/zinc/60/82/70/352608270.db2.gz PFWQUVCOJJJIJG-VIFPVBQESA-N 0 0 180.251 2.026 10 0 AEAERN CC(C)=C[C@@H](O)c1c(C)n[nH]c1C 575541586 352608563 /nfs/dbraw/zinc/60/85/63/352608563.db2.gz PFWQUVCOJJJIJG-SECBINFHSA-N 0 0 180.251 2.026 10 0 AEAERN CCNc1nccnc1[C@@H]1C[C@H]1C 575541994 352609460 /nfs/dbraw/zinc/60/94/60/352609460.db2.gz KGDYPFUHMSJYND-HTQZYQBOSA-N 0 0 177.251 2.032 10 0 AEAERN CCNc1nccnc1[C@H]1C[C@H]1C 575541996 352609508 /nfs/dbraw/zinc/60/95/08/352609508.db2.gz KGDYPFUHMSJYND-SFYZADRCSA-N 0 0 177.251 2.032 10 0 AEAERN CC1(C)C[C@]1(C)Nc1ncccn1 575542090 352609690 /nfs/dbraw/zinc/60/96/90/352609690.db2.gz MXAXUQBERJBHQX-JTQLQIEISA-N 0 0 177.251 2.077 10 0 AEAERN CCNc1nccnc1[C@@H]1C[C@@H]1C 575541995 352609795 /nfs/dbraw/zinc/60/97/95/352609795.db2.gz KGDYPFUHMSJYND-JGVFFNPUSA-N 0 0 177.251 2.032 10 0 AEAERN CCNc1nccnc1[C@H]1C[C@@H]1C 575541997 352609846 /nfs/dbraw/zinc/60/98/46/352609846.db2.gz KGDYPFUHMSJYND-YUMQZZPRSA-N 0 0 177.251 2.032 10 0 AEAERN C[C@@H]1C[C@@H]1CNc1cnn(C)c1Cl 575542289 352610204 /nfs/dbraw/zinc/61/02/04/352610204.db2.gz ORJVDJLHOIECID-RNFRBKRXSA-N 0 0 199.685 2.141 10 0 AEAERN C[C@H]1C[C@@H]1CNc1cnn(C)c1Cl 575542288 352610255 /nfs/dbraw/zinc/61/02/55/352610255.db2.gz ORJVDJLHOIECID-NKWVEPMBSA-N 0 0 199.685 2.141 10 0 AEAERN C[C@H]1C[C@H]1CNc1cnn(C)c1Cl 575542287 352610323 /nfs/dbraw/zinc/61/03/23/352610323.db2.gz ORJVDJLHOIECID-BQBZGAKWSA-N 0 0 199.685 2.141 10 0 AEAERN CC1(C)C[C@@]1(C)Nc1ncccn1 575542100 352610404 /nfs/dbraw/zinc/61/04/04/352610404.db2.gz MXAXUQBERJBHQX-SNVBAGLBSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@@H]1C[C@H]1CNc1cnn(C)c1Cl 575542290 352610433 /nfs/dbraw/zinc/61/04/33/352610433.db2.gz ORJVDJLHOIECID-RQJHMYQMSA-N 0 0 199.685 2.141 10 0 AEAERN Cc1cc(Cl)ccc1C1(F)CNC1 575542641 352611483 /nfs/dbraw/zinc/61/14/83/352611483.db2.gz XOFQULQCVOPFER-UHFFFAOYSA-N 0 0 199.656 2.416 10 0 AEAERN c1n[nH]cc1N[C@@H]1CCCC12CC2 575543090 352613374 /nfs/dbraw/zinc/61/33/74/352613374.db2.gz MSDZLVREYGXFBJ-SECBINFHSA-N 0 0 177.251 2.154 10 0 AEAERN c1n[nH]cc1N[C@H]1CCCC12CC2 575543091 352613652 /nfs/dbraw/zinc/61/36/52/352613652.db2.gz MSDZLVREYGXFBJ-VIFPVBQESA-N 0 0 177.251 2.154 10 0 AEAERN C[C@H]1C[C@@H]1CNc1cnsc1 575543212 352614240 /nfs/dbraw/zinc/61/42/40/352614240.db2.gz VHWULSMQZQNTKG-NKWVEPMBSA-N 0 0 168.265 2.211 10 0 AEAERN C[C@@H]1C[C@H]1CNc1cnsc1 575543214 352614256 /nfs/dbraw/zinc/61/42/56/352614256.db2.gz VHWULSMQZQNTKG-RQJHMYQMSA-N 0 0 168.265 2.211 10 0 AEAERN C[C@@H]1C[C@@H]1CNc1cnsc1 575543213 352614320 /nfs/dbraw/zinc/61/43/20/352614320.db2.gz VHWULSMQZQNTKG-RNFRBKRXSA-N 0 0 168.265 2.211 10 0 AEAERN C[C@H]1C[C@H]1CNc1cnsc1 575543211 352614357 /nfs/dbraw/zinc/61/43/57/352614357.db2.gz VHWULSMQZQNTKG-BQBZGAKWSA-N 0 0 168.265 2.211 10 0 AEAERN C[C@@H](Nc1ncccn1)C1(C)CC1 575543356 352614768 /nfs/dbraw/zinc/61/47/68/352614768.db2.gz OXNDWKLFIOMTRQ-MRVPVSSYSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@H](Nc1ncccn1)C1(C)CC1 575543357 352614966 /nfs/dbraw/zinc/61/49/66/352614966.db2.gz OXNDWKLFIOMTRQ-QMMMGPOBSA-N 0 0 177.251 2.077 10 0 AEAERN CN[C@@]1(C(F)(F)F)CCCC12CC2 575543784 352615928 /nfs/dbraw/zinc/61/59/28/352615928.db2.gz AHKDKPSBKUMXGH-QMMMGPOBSA-N 0 0 193.212 2.471 10 0 AEAERN CN[C@]1(C(F)(F)F)CCCC12CC2 575543782 352616257 /nfs/dbraw/zinc/61/62/57/352616257.db2.gz AHKDKPSBKUMXGH-MRVPVSSYSA-N 0 0 193.212 2.471 10 0 AEAERN O[C@@H]1CC[C@H]1Nc1ccc(Cl)cc1 575544245 352617276 /nfs/dbraw/zinc/61/72/76/352617276.db2.gz DGTNEBOCYRZFRH-NXEZZACHSA-N 0 0 197.665 2.275 10 0 AEAERN O[C@@H]1CC[C@H]1Nc1cccc(Cl)c1 575544499 352618167 /nfs/dbraw/zinc/61/81/67/352618167.db2.gz DWENPKZECXWRCE-NXEZZACHSA-N 0 0 197.665 2.275 10 0 AEAERN C/C=C/[C@@H]([NH3+])c1cncc(Cl)c1 575544420 352618188 /nfs/dbraw/zinc/61/81/88/352618188.db2.gz FWFYZYCCSHQABA-GKQMSVHHSA-N 0 0 182.654 2.311 10 0 AEAERN CC(=O)[C@@H]1CCCC12CC2 575544899 352620034 /nfs/dbraw/zinc/62/00/34/352620034.db2.gz XVHBJFAZQLJYAS-QMMMGPOBSA-N 0 0 138.210 2.156 10 0 AEAERN CC(=O)[C@H]1CCCC12CC2 575544898 352620160 /nfs/dbraw/zinc/62/01/60/352620160.db2.gz XVHBJFAZQLJYAS-MRVPVSSYSA-N 0 0 138.210 2.156 10 0 AEAERN c1cncc(NC[C@@H]2CC23CC3)c1 575545136 352620717 /nfs/dbraw/zinc/62/07/17/352620717.db2.gz ZSOWFXUHBDYVHX-VIFPVBQESA-N 0 0 174.247 2.294 10 0 AEAERN c1cncc(NC[C@H]2CC23CC3)c1 575545126 352620853 /nfs/dbraw/zinc/62/08/53/352620853.db2.gz ZSOWFXUHBDYVHX-SECBINFHSA-N 0 0 174.247 2.294 10 0 AEAERN CC(F)(F)CN[C@H]1CC1(C)C 575545228 352621326 /nfs/dbraw/zinc/62/13/26/352621326.db2.gz JPALCNBFGSILHO-LURJTMIESA-N 0 0 163.211 2.030 10 0 AEAERN CC(F)(F)CN[C@@H]1CC1(C)C 575545229 352621615 /nfs/dbraw/zinc/62/16/15/352621615.db2.gz JPALCNBFGSILHO-ZCFIWIBFSA-N 0 0 163.211 2.030 10 0 AEAERN N[C@]1(C(F)(F)F)CCCC12CC2 575545479 352621864 /nfs/dbraw/zinc/62/18/64/352621864.db2.gz LUGAGFAFYTVAQC-SSDOTTSWSA-N 0 0 179.185 2.210 10 0 AEAERN CC1(C)C[C@]1(C)Nc1cc[nH+]cc1 575545604 352621969 /nfs/dbraw/zinc/62/19/69/352621969.db2.gz PFOWHTFIVGBLEM-NSHDSACASA-N 0 0 176.263 2.104 10 0 AEAERN CC1(C)C[C@@]1(C)Nc1cc[nH+]cc1 575545602 352621985 /nfs/dbraw/zinc/62/19/85/352621985.db2.gz PFOWHTFIVGBLEM-LLVKDONJSA-N 0 0 176.263 2.104 10 0 AEAERN Cc1cc(-c2nc(N)cs2)ccn1 575545505 352622040 /nfs/dbraw/zinc/62/20/40/352622040.db2.gz MACOCIXXVDHWKX-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN CC1(C)C[C@]1(C)Nc1ccncn1 575545583 352622061 /nfs/dbraw/zinc/62/20/61/352622061.db2.gz OZJMOJAVTCUAHS-JTQLQIEISA-N 0 0 177.251 2.077 10 0 AEAERN N[C@@]1(C(F)(F)F)CCCC12CC2 575545481 352622171 /nfs/dbraw/zinc/62/21/71/352622171.db2.gz LUGAGFAFYTVAQC-ZETCQYMHSA-N 0 0 179.185 2.210 10 0 AEAERN CC1(C)C[C@@]1(C)Nc1ccncn1 575545585 352622268 /nfs/dbraw/zinc/62/22/68/352622268.db2.gz OZJMOJAVTCUAHS-SNVBAGLBSA-N 0 0 177.251 2.077 10 0 AEAERN C[C@H](Nc1ccncn1)C1(C)CC1 575545898 352623460 /nfs/dbraw/zinc/62/34/60/352623460.db2.gz OHBMEXVUASJDNU-QMMMGPOBSA-N 0 0 177.251 2.077 10 0 AEAERN CN1CCC[C@@H]1C(=O)c1ccsc1 575545828 352623601 /nfs/dbraw/zinc/62/36/01/352623601.db2.gz NBHXVWIEZBRJSC-SECBINFHSA-N 0 0 195.287 2.025 10 0 AEAERN C[C@@H](Nc1ccncn1)C1(C)CC1 575545897 352623622 /nfs/dbraw/zinc/62/36/22/352623622.db2.gz OHBMEXVUASJDNU-MRVPVSSYSA-N 0 0 177.251 2.077 10 0 AEAERN CN1CCC[C@H]1C(=O)c1ccsc1 575545830 352623675 /nfs/dbraw/zinc/62/36/75/352623675.db2.gz NBHXVWIEZBRJSC-VIFPVBQESA-N 0 0 195.287 2.025 10 0 AEAERN C[C@H]1C[C@]1(C)NCC(C)(F)F 575546356 352624777 /nfs/dbraw/zinc/62/47/77/352624777.db2.gz RBZMAONVMKSMGU-BQBZGAKWSA-N 0 0 163.211 2.030 10 0 AEAERN c1ccc(NCc2ccsn2)nc1 575546360 352625049 /nfs/dbraw/zinc/62/50/49/352625049.db2.gz RDCWTWANKJZFPJ-UHFFFAOYSA-N 0 0 191.259 2.150 10 0 AEAERN C[C@@H]1C[C@@]1(C)NCC(C)(F)F 575546358 352625095 /nfs/dbraw/zinc/62/50/95/352625095.db2.gz RBZMAONVMKSMGU-RNFRBKRXSA-N 0 0 163.211 2.030 10 0 AEAERN C[C@@H]1C[C@]1(C)NCC(C)(F)F 575546359 352625114 /nfs/dbraw/zinc/62/51/14/352625114.db2.gz RBZMAONVMKSMGU-RQJHMYQMSA-N 0 0 163.211 2.030 10 0 AEAERN C[C@H]1C[C@@]1(C)NCC(C)(F)F 575546357 352625143 /nfs/dbraw/zinc/62/51/43/352625143.db2.gz RBZMAONVMKSMGU-NKWVEPMBSA-N 0 0 163.211 2.030 10 0 AEAERN CN1CCC[C@H]1C(=O)c1cccs1 575546544 352625695 /nfs/dbraw/zinc/62/56/95/352625695.db2.gz SKRIATDBASEILJ-QMMMGPOBSA-N 0 0 195.287 2.025 10 0 AEAERN CN1CCC[C@@H]1C(=O)c1cccs1 575546543 352625808 /nfs/dbraw/zinc/62/58/08/352625808.db2.gz SKRIATDBASEILJ-MRVPVSSYSA-N 0 0 195.287 2.025 10 0 AEAERN c1csc(NCc2ccsn2)n1 575547127 352627592 /nfs/dbraw/zinc/62/75/92/352627592.db2.gz XQHSCPCWRNSAMB-UHFFFAOYSA-N 0 0 197.288 2.212 10 0 AEAERN CC(C)c1nnc([C@H]2CC23CC3)[nH]1 575547467 352628261 /nfs/dbraw/zinc/62/82/61/352628261.db2.gz CZZBXXZTMNHWCS-SSDOTTSWSA-N 0 0 177.251 2.196 10 0 AEAERN CC(C)c1nnc([C@@H]2CC23CC3)[nH]1 575547468 352628496 /nfs/dbraw/zinc/62/84/96/352628496.db2.gz CZZBXXZTMNHWCS-ZETCQYMHSA-N 0 0 177.251 2.196 10 0 AEAERN C[C@@H]1C[C@@]1(C)[C@@H](O)c1cc[nH]c1 575547564 352629217 /nfs/dbraw/zinc/62/92/17/352629217.db2.gz IPGRIBQZRUAPAN-FKTZTGRPSA-N 0 0 165.236 2.094 10 0 AEAERN CC1(C)C[C@]1(C)[C@@H](O)c1cc[nH]c1 575547800 352629244 /nfs/dbraw/zinc/62/92/44/352629244.db2.gz YOCOLZHYKGOYPI-GXSJLCMTSA-N 0 0 179.263 2.484 10 0 AEAERN CC1(C)C[C@]1(C)Cn1cc[nH]c1=O 575547637 352629274 /nfs/dbraw/zinc/62/92/74/352629274.db2.gz NXCDYODQAMVXSB-SNVBAGLBSA-N 0 0 180.251 2.025 10 0 AEAERN CC1(C)C[C@@]1(C)Cn1cc[nH]c1=O 575547636 352629282 /nfs/dbraw/zinc/62/92/82/352629282.db2.gz NXCDYODQAMVXSB-JTQLQIEISA-N 0 0 180.251 2.025 10 0 AEAERN Cc1cc(C)c([C@@H](O)C(C)C)[nH]1 575547953 352629296 /nfs/dbraw/zinc/62/92/96/352629296.db2.gz BDNHLLWKSBBWKT-JTQLQIEISA-N 0 0 167.252 2.321 10 0 AEAERN C[C@@H]1C[C@]1(C)[C@@H](O)c1cc[nH]c1 575547565 352629311 /nfs/dbraw/zinc/62/93/11/352629311.db2.gz IPGRIBQZRUAPAN-JEZHCXPESA-N 0 0 165.236 2.094 10 0 AEAERN Cc1cc(C)c([C@H](O)C(C)C)[nH]1 575547954 352629313 /nfs/dbraw/zinc/62/93/13/352629313.db2.gz BDNHLLWKSBBWKT-SNVBAGLBSA-N 0 0 167.252 2.321 10 0 AEAERN CC1(C)C[C@@]1(C)[C@@H](O)c1cc[nH]c1 575547803 352629323 /nfs/dbraw/zinc/62/93/23/352629323.db2.gz YOCOLZHYKGOYPI-ONGXEEELSA-N 0 0 179.263 2.484 10 0 AEAERN CC1(C)C[C@]1(C)[C@H](O)c1cc[nH]c1 575547802 352629333 /nfs/dbraw/zinc/62/93/33/352629333.db2.gz YOCOLZHYKGOYPI-MWLCHTKSSA-N 0 0 179.263 2.484 10 0 AEAERN C[C@@H]1C[C@@]1(C)[C@H](O)c1cc[nH]c1 575547567 352629337 /nfs/dbraw/zinc/62/93/37/352629337.db2.gz IPGRIBQZRUAPAN-SZEHBUNVSA-N 0 0 165.236 2.094 10 0 AEAERN C[C@@H]1C[C@]1(C)[C@H](O)c1cc[nH]c1 575547566 352629499 /nfs/dbraw/zinc/62/94/99/352629499.db2.gz IPGRIBQZRUAPAN-QNSHHTMESA-N 0 0 165.236 2.094 10 0 AEAERN Cc1nc([C@H](C)C2CCC2)n[nH]1 575547736 352629383 /nfs/dbraw/zinc/62/93/83/352629383.db2.gz UATFOQDXGQJQOE-ZCFIWIBFSA-N 0 0 165.240 2.017 10 0 AEAERN Cc1nc([C@@H](C)C2CCC2)n[nH]1 575547735 352629461 /nfs/dbraw/zinc/62/94/61/352629461.db2.gz UATFOQDXGQJQOE-LURJTMIESA-N 0 0 165.240 2.017 10 0 AEAERN Clc1c[nH]nc1C1(Cl)CC1 575547585 352629475 /nfs/dbraw/zinc/62/94/75/352629475.db2.gz KAXUWJUAVUAZPM-UHFFFAOYSA-N 0 0 177.034 2.291 10 0 AEAERN C/C=C/[C@@H](O)c1cccc(N)c1F 575548486 352631344 /nfs/dbraw/zinc/63/13/44/352631344.db2.gz FBHOARCCQYHVLH-HDMKULJXSA-N 0 0 181.210 2.017 10 0 AEAERN C/C=C/[C@H](O)c1cccc(N)c1F 575548487 352631422 /nfs/dbraw/zinc/63/14/22/352631422.db2.gz FBHOARCCQYHVLH-LXOKAJLYSA-N 0 0 181.210 2.017 10 0 AEAERN Cc1cc(C)c([C@@H](O)C(F)(F)F)[nH]1 575548651 352631981 /nfs/dbraw/zinc/63/19/81/352631981.db2.gz HKRWAMLRVOKJLM-SSDOTTSWSA-N 0 0 193.168 2.227 10 0 AEAERN Cc1cc(C)c([C@H](O)C(F)(F)F)[nH]1 575548652 352632058 /nfs/dbraw/zinc/63/20/58/352632058.db2.gz HKRWAMLRVOKJLM-ZETCQYMHSA-N 0 0 193.168 2.227 10 0 AEAERN C/C=C/[C@@H](O)c1cccc(N)c1C 575549063 352632707 /nfs/dbraw/zinc/63/27/07/352632707.db2.gz HCUYLCLIPTUHQY-JOAKQRRISA-N 0 0 177.247 2.187 10 0 AEAERN C/C=C/[C@H](O)c1cccc(N)c1C 575549065 352632867 /nfs/dbraw/zinc/63/28/67/352632867.db2.gz HCUYLCLIPTUHQY-TZNOJPMFSA-N 0 0 177.247 2.187 10 0 AEAERN C/C=C/[C@@H](O)c1ccc(C)c(N)c1 575549766 352635656 /nfs/dbraw/zinc/63/56/56/352635656.db2.gz MHICRXKGMKLUIS-PGLGOXFNSA-N 0 0 177.247 2.187 10 0 AEAERN C/C=C/[C@H](O)c1ccc(C)c(N)c1 575549768 352636076 /nfs/dbraw/zinc/63/60/76/352636076.db2.gz MHICRXKGMKLUIS-UFFNRZRYSA-N 0 0 177.247 2.187 10 0 AEAERN Cc1csc(-c2coc(=S)[nH]2)n1 575549790 352636124 /nfs/dbraw/zinc/63/61/24/352636124.db2.gz NIHPHYXKTINZSO-UHFFFAOYSA-N 0 0 198.272 2.395 10 0 AEAERN C/C=C/[C@H](O)c1ccc(N)c(C)c1 575550021 352636785 /nfs/dbraw/zinc/63/67/85/352636785.db2.gz NVEWKVLSDUAPJE-UFFNRZRYSA-N 0 0 177.247 2.187 10 0 AEAERN C/C=C/[C@@H](O)c1ccc(N)c(C)c1 575550020 352636861 /nfs/dbraw/zinc/63/68/61/352636861.db2.gz NVEWKVLSDUAPJE-PGLGOXFNSA-N 0 0 177.247 2.187 10 0 AEAERN C/C=C/[C@@H](O)c1cccc(F)c1N 575550083 352637477 /nfs/dbraw/zinc/63/74/77/352637477.db2.gz QMQQKGDGVJGKSY-HDMKULJXSA-N 0 0 181.210 2.017 10 0 AEAERN C/C=C/[C@H](O)c1cccc(F)c1N 575550084 352637523 /nfs/dbraw/zinc/63/75/23/352637523.db2.gz QMQQKGDGVJGKSY-LXOKAJLYSA-N 0 0 181.210 2.017 10 0 AEAERN C/C=C/[C@H](O)c1cc(C)ccc1N 575550686 352638837 /nfs/dbraw/zinc/63/88/37/352638837.db2.gz UFMJMLQKTKWVFW-UFFNRZRYSA-N 0 0 177.247 2.187 10 0 AEAERN Cc1cocc1-c1nc(=S)n(C)[nH]1 575550592 352638949 /nfs/dbraw/zinc/63/89/49/352638949.db2.gz WXECVFXBIMNFAQ-UHFFFAOYSA-N 0 0 195.247 2.046 10 0 AEAERN C/C=C/[C@@H](O)c1cc(C)ccc1N 575550684 352638967 /nfs/dbraw/zinc/63/89/67/352638967.db2.gz UFMJMLQKTKWVFW-PGLGOXFNSA-N 0 0 177.247 2.187 10 0 AEAERN S=C1N=C2C(CCC23CC3)S1 575550739 352639472 /nfs/dbraw/zinc/63/94/72/352639472.db2.gz XULQEKLRKCHOJQ-UHFFFAOYSA-N 0 0 183.301 2.410 10 0 AEAERN S=c1[nH]c2c(o1)CC1(CC2)CC1 575550967 352640134 /nfs/dbraw/zinc/64/01/34/352640134.db2.gz ZXTYZQKZYAQQSF-UHFFFAOYSA-N 0 0 181.260 2.232 10 0 AEAERN CC1(C)C[C@@H]1C[C@]1(C)CCC(=O)N1 575551086 352640222 /nfs/dbraw/zinc/64/02/22/352640222.db2.gz CZJLIJFNMXOHNT-KCJUWKMLSA-N 0 0 181.279 2.091 10 0 AEAERN CC1(C)C[C@H]1C[C@@]1(C)CCC(=O)N1 575551085 352640339 /nfs/dbraw/zinc/64/03/39/352640339.db2.gz CZJLIJFNMXOHNT-GZMMTYOYSA-N 0 0 181.279 2.091 10 0 AEAERN Cc1cc(C=O)c(C)n1C1CSC1 575550988 352640401 /nfs/dbraw/zinc/64/04/01/352640401.db2.gz VMKMIKVAGYDVBX-UHFFFAOYSA-N 0 0 195.287 2.205 10 0 AEAERN Cc1ccc([C@@H](O)c2ccsc2)[nH]1 575551250 352640725 /nfs/dbraw/zinc/64/07/25/352640725.db2.gz QXGPLJDVNCPOTJ-JTQLQIEISA-N 0 0 193.271 2.466 10 0 AEAERN CC1(C)C[C@H]1C[C@]1(C)CCC(=O)N1 575551087 352640804 /nfs/dbraw/zinc/64/08/04/352640804.db2.gz CZJLIJFNMXOHNT-KWQFWETISA-N 0 0 181.279 2.091 10 0 AEAERN CC1(C)C[C@@H]1C[C@@]1(C)CCC(=O)N1 575551088 352641002 /nfs/dbraw/zinc/64/10/02/352641002.db2.gz CZJLIJFNMXOHNT-LDYMZIIASA-N 0 0 181.279 2.091 10 0 AEAERN Cc1ccc([C@H](O)c2ccsc2)[nH]1 575551260 352641033 /nfs/dbraw/zinc/64/10/33/352641033.db2.gz QXGPLJDVNCPOTJ-SNVBAGLBSA-N 0 0 193.271 2.466 10 0 AEAERN C[C@@H]1C[C@@]1(C)[C@H](O)c1ccc[nH]1 575552107 352644324 /nfs/dbraw/zinc/64/43/24/352644324.db2.gz QQAROKVPDMFHCK-SZEHBUNVSA-N 0 0 165.236 2.094 10 0 AEAERN CC1(C)C[C@@]1(C)[C@@H](O)c1ccc[nH]1 575552121 352644408 /nfs/dbraw/zinc/64/44/08/352644408.db2.gz RBOLKINLKADOOI-ONGXEEELSA-N 0 0 179.263 2.484 10 0 AEAERN CC1(C)C[C@]1(C)[C@@H](O)c1ccc[nH]1 575552112 352644412 /nfs/dbraw/zinc/64/44/12/352644412.db2.gz RBOLKINLKADOOI-GXSJLCMTSA-N 0 0 179.263 2.484 10 0 AEAERN C[C@@H]1C[C@@]1(C)[C@@H](O)c1ccc[nH]1 575552104 352644432 /nfs/dbraw/zinc/64/44/32/352644432.db2.gz QQAROKVPDMFHCK-FKTZTGRPSA-N 0 0 165.236 2.094 10 0 AEAERN C[C@@H]1C[C@]1(C)[C@H](O)c1ccc[nH]1 575552106 352644482 /nfs/dbraw/zinc/64/44/82/352644482.db2.gz QQAROKVPDMFHCK-QNSHHTMESA-N 0 0 165.236 2.094 10 0 AEAERN CC1(C)C[C@]1(C)[C@H](O)c1ccc[nH]1 575552119 352644495 /nfs/dbraw/zinc/64/44/95/352644495.db2.gz RBOLKINLKADOOI-MWLCHTKSSA-N 0 0 179.263 2.484 10 0 AEAERN CC1(C)C[C@@]1(C)[C@H](O)c1ccc[nH]1 575552114 352644539 /nfs/dbraw/zinc/64/45/39/352644539.db2.gz RBOLKINLKADOOI-KOLCDFICSA-N 0 0 179.263 2.484 10 0 AEAERN C[C@@H]1CC[C@H](n2cc[nH]c2=O)CS1 575552396 352644909 /nfs/dbraw/zinc/64/49/09/352644909.db2.gz AYXYBGCEYWBIBF-SFYZADRCSA-N 0 0 198.291 2.045 10 0 AEAERN C[C@@H]1CC[C@@H](n2cc[nH]c2=O)CS1 575552392 352645089 /nfs/dbraw/zinc/64/50/89/352645089.db2.gz AYXYBGCEYWBIBF-HTQZYQBOSA-N 0 0 198.291 2.045 10 0 AEAERN C[C@H]1CC[C@H](n2cc[nH]c2=O)CS1 575552398 352645094 /nfs/dbraw/zinc/64/50/94/352645094.db2.gz AYXYBGCEYWBIBF-YUMQZZPRSA-N 0 0 198.291 2.045 10 0 AEAERN C[C@H]1CC[C@@H](n2cc[nH]c2=O)CS1 575552395 352645224 /nfs/dbraw/zinc/64/52/24/352645224.db2.gz AYXYBGCEYWBIBF-JGVFFNPUSA-N 0 0 198.291 2.045 10 0 AEAERN CC(C)[C@H]1CCCCC[C@H]1NN 575552490 352645604 /nfs/dbraw/zinc/64/56/04/352645604.db2.gz BJDMAULOJTVGJD-NXEZZACHSA-N 0 0 170.300 2.055 10 0 AEAERN CC(C)[C@@H]1CCCCC[C@@H]1NN 575552492 352645762 /nfs/dbraw/zinc/64/57/62/352645762.db2.gz BJDMAULOJTVGJD-UWVGGRQHSA-N 0 0 170.300 2.055 10 0 AEAERN CC(C)[C@H]1CCCCC[C@@H]1NN 575552495 352645899 /nfs/dbraw/zinc/64/58/99/352645899.db2.gz BJDMAULOJTVGJD-ZJUUUORDSA-N 0 0 170.300 2.055 10 0 AEAERN CC(C)[C@@H]1CCCCC[C@H]1NN 575552494 352645949 /nfs/dbraw/zinc/64/59/49/352645949.db2.gz BJDMAULOJTVGJD-VHSXEESVSA-N 0 0 170.300 2.055 10 0 AEAERN S=c1[nH]c2c(o1)[C@H]1CC[C@@H](C2)C1 575553187 352647921 /nfs/dbraw/zinc/64/79/21/352647921.db2.gz TURVRQIDEFDRRG-RITPCOANSA-N 0 0 181.260 2.403 10 0 AEAERN CC1(C)CC(CNN)CC(C)(C)C1 575553367 352648497 /nfs/dbraw/zinc/64/84/97/352648497.db2.gz YMZBITVIYOWXGA-UHFFFAOYSA-N 0 0 184.327 2.302 10 0 AEAERN O=C1CCCC[C@]1(O)c1cccs1 575553902 352650160 /nfs/dbraw/zinc/65/01/60/352650160.db2.gz AMOBGGPNENBKCU-SNVBAGLBSA-N 0 0 196.271 2.079 10 0 AEAERN CC(C)[C@H](C)[C@@]1(O)CCCCC1=O 575553971 352650429 /nfs/dbraw/zinc/65/04/29/352650429.db2.gz CAOSBTLQPFIJCX-ONGXEEELSA-N 0 0 184.279 2.153 10 0 AEAERN O=C1CCCC[C@@]1(O)c1cccs1 575553901 352650452 /nfs/dbraw/zinc/65/04/52/352650452.db2.gz AMOBGGPNENBKCU-JTQLQIEISA-N 0 0 196.271 2.079 10 0 AEAERN CC(C)[C@H](C)[C@]1(O)CCCCC1=O 575553968 352650570 /nfs/dbraw/zinc/65/05/70/352650570.db2.gz CAOSBTLQPFIJCX-GXSJLCMTSA-N 0 0 184.279 2.153 10 0 AEAERN CC(C)[C@@H](C)[C@@]1(O)CCCCC1=O 575553969 352650580 /nfs/dbraw/zinc/65/05/80/352650580.db2.gz CAOSBTLQPFIJCX-KOLCDFICSA-N 0 0 184.279 2.153 10 0 AEAERN CC(C)[C@@H](C)[C@]1(O)CCCCC1=O 575553970 352650617 /nfs/dbraw/zinc/65/06/17/352650617.db2.gz CAOSBTLQPFIJCX-MWLCHTKSSA-N 0 0 184.279 2.153 10 0 AEAERN Cc1nnccc1C(=O)C(C)(C)C 575554270 352651961 /nfs/dbraw/zinc/65/19/61/352651961.db2.gz QBMAJQSQMDPDSB-UHFFFAOYSA-N 0 0 178.235 2.014 10 0 AEAERN Cc1cc([C@@H](O)C2CC2)c(C)[nH]1 575554383 352652501 /nfs/dbraw/zinc/65/25/01/352652501.db2.gz IKKGLKRPNYHSEQ-JTQLQIEISA-N 0 0 165.236 2.075 10 0 AEAERN Cc1cc([C@H](O)C2CC2)c(C)[nH]1 575554384 352652529 /nfs/dbraw/zinc/65/25/29/352652529.db2.gz IKKGLKRPNYHSEQ-SNVBAGLBSA-N 0 0 165.236 2.075 10 0 AEAERN Cc1cc(-c2nc(C)c[nH]2)ccn1 575554343 352652600 /nfs/dbraw/zinc/65/26/00/352652600.db2.gz HUVXEBHKUAWSPB-UHFFFAOYSA-N 0 0 173.219 2.089 10 0 AEAERN CC1CC(c2nc(C(C)C)n[nH]2)C1 575554808 352653621 /nfs/dbraw/zinc/65/36/21/352653621.db2.gz PYNBOAOVENPXJD-UHFFFAOYSA-N 0 0 179.267 2.442 10 0 AEAERN CCc1nc(C2CC(C)(C)C2)n[nH]1 575554983 352654263 /nfs/dbraw/zinc/65/42/63/352654263.db2.gz UBJGOOGEQMQVEF-UHFFFAOYSA-N 0 0 179.267 2.271 10 0 AEAERN C[C@]1(Cc2ccsc2)CO1 575554941 352654369 /nfs/dbraw/zinc/65/43/69/352654369.db2.gz RQMJYYYIQXOILL-QMMMGPOBSA-N 0 0 154.234 2.080 10 0 AEAERN C[C@@]1(Cc2ccsc2)CO1 575554930 352654477 /nfs/dbraw/zinc/65/44/77/352654477.db2.gz RQMJYYYIQXOILL-MRVPVSSYSA-N 0 0 154.234 2.080 10 0 AEAERN O=C1CCCC[C@@]1(O)C1CCCC1 575554902 352654492 /nfs/dbraw/zinc/65/44/92/352654492.db2.gz HZGZYRFWAKVBOI-LLVKDONJSA-N 0 0 182.263 2.051 10 0 AEAERN O=C1CCCC[C@]1(O)C1CCCC1 575554903 352654498 /nfs/dbraw/zinc/65/44/98/352654498.db2.gz HZGZYRFWAKVBOI-NSHDSACASA-N 0 0 182.263 2.051 10 0 AEAERN O=c1[nH]ccn1[C@@H]1CCCC12CC2 575555113 352655023 /nfs/dbraw/zinc/65/50/23/352655023.db2.gz XIGFCLMYSVAVCB-MRVPVSSYSA-N 0 0 178.235 2.094 10 0 AEAERN Cc1cc([C@H](O)C2(C)CC2)c(C)[nH]1 575555108 352655026 /nfs/dbraw/zinc/65/50/26/352655026.db2.gz WZRNRJSQIFWTHQ-JTQLQIEISA-N 0 0 179.263 2.465 10 0 AEAERN Fc1ccc(C[C@@H]2CO2)cc1Cl 575555065 352655049 /nfs/dbraw/zinc/65/50/49/352655049.db2.gz WOADSLRAZVLFAB-SSDOTTSWSA-N 0 0 186.613 2.420 10 0 AEAERN O=c1[nH]ccn1[C@H]1CCCC12CC2 575555115 352655063 /nfs/dbraw/zinc/65/50/63/352655063.db2.gz XIGFCLMYSVAVCB-QMMMGPOBSA-N 0 0 178.235 2.094 10 0 AEAERN Cc1cc([C@@H](O)C2(C)CC2)c(C)[nH]1 575555111 352655135 /nfs/dbraw/zinc/65/51/35/352655135.db2.gz WZRNRJSQIFWTHQ-SNVBAGLBSA-N 0 0 179.263 2.465 10 0 AEAERN Fc1ccc(C[C@H]2CO2)cc1Cl 575555076 352655182 /nfs/dbraw/zinc/65/51/82/352655182.db2.gz WOADSLRAZVLFAB-ZETCQYMHSA-N 0 0 186.613 2.420 10 0 AEAERN O=C1CCCC[C@]1(O)c1ccsc1 575555363 352655645 /nfs/dbraw/zinc/65/56/45/352655645.db2.gz KRVVHNSHVNZOMB-JTQLQIEISA-N 0 0 196.271 2.079 10 0 AEAERN O=C1CCCC[C@@]1(O)c1ccsc1 575555386 352655828 /nfs/dbraw/zinc/65/58/28/352655828.db2.gz KRVVHNSHVNZOMB-SNVBAGLBSA-N 0 0 196.271 2.079 10 0 AEAERN C[C@@H]1CCCCc2cnc(=O)[nH]c21 575555483 352656333 /nfs/dbraw/zinc/65/63/33/352656333.db2.gz GDMJKUZYFHIETB-SSDOTTSWSA-N 0 0 178.235 2.012 10 0 AEAERN C[C@H]1CCCCc2cnc(=O)[nH]c21 575555489 352656343 /nfs/dbraw/zinc/65/63/43/352656343.db2.gz GDMJKUZYFHIETB-ZETCQYMHSA-N 0 0 178.235 2.012 10 0 AEAERN C/C=C/[C@@](C)(O)c1ccc(O)cc1 575555770 352656958 /nfs/dbraw/zinc/65/69/58/352656958.db2.gz RQPHOQBWQUHJMP-TXGYYHNKSA-N 0 0 178.231 2.176 10 0 AEAERN C/C=C/[C@](C)(O)c1ccc(O)cc1 575555769 352657168 /nfs/dbraw/zinc/65/71/68/352657168.db2.gz RQPHOQBWQUHJMP-AEBAWRHJSA-N 0 0 178.231 2.176 10 0 AEAERN FC(F)(F)[C@H]1CC[C@@H](C2CC2)CN1 575556274 352659053 /nfs/dbraw/zinc/65/90/53/352659053.db2.gz AHPYMXAQQGMHAM-HTQZYQBOSA-N 0 0 193.212 2.327 10 0 AEAERN FC(F)(F)[C@H]1CC[C@H](C2CC2)CN1 575556280 352659068 /nfs/dbraw/zinc/65/90/68/352659068.db2.gz AHPYMXAQQGMHAM-JGVFFNPUSA-N 0 0 193.212 2.327 10 0 AEAERN O=c1[nH]c(C2(Cl)CC2)cs1 575556187 352659103 /nfs/dbraw/zinc/65/91/03/352659103.db2.gz NTCUPENCXZDXKL-UHFFFAOYSA-N 0 0 175.640 2.077 10 0 AEAERN FC(F)(F)[C@@H]1CC[C@H](C2CC2)CN1 575556286 352659193 /nfs/dbraw/zinc/65/91/93/352659193.db2.gz AHPYMXAQQGMHAM-YUMQZZPRSA-N 0 0 193.212 2.327 10 0 AEAERN CSc1ccc(C2(F)CNC2)cc1 575556178 352659218 /nfs/dbraw/zinc/65/92/18/352659218.db2.gz NVFWTOOXYVLHMN-UHFFFAOYSA-N 0 0 197.278 2.177 10 0 AEAERN FC(F)(F)[C@@H]1CC[C@@H](C2CC2)CN1 575556283 352659241 /nfs/dbraw/zinc/65/92/41/352659241.db2.gz AHPYMXAQQGMHAM-SFYZADRCSA-N 0 0 193.212 2.327 10 0 AEAERN C/C=C/[C@H](O)c1cc(F)ccc1N 575556390 352659726 /nfs/dbraw/zinc/65/97/26/352659726.db2.gz BITNRXLXRYMELW-PBKGFPTLSA-N 0 0 181.210 2.017 10 0 AEAERN C/C=C/[C@@H](O)c1cc(F)ccc1N 575556392 352659828 /nfs/dbraw/zinc/65/98/28/352659828.db2.gz BITNRXLXRYMELW-VMZHVLLKSA-N 0 0 181.210 2.017 10 0 AEAERN CCc1nc(-c2nc(C)c[nH]2)cs1 575557068 352662334 /nfs/dbraw/zinc/66/23/34/352662334.db2.gz UQZLDGHGQHMYLA-UHFFFAOYSA-N 0 0 193.275 2.404 10 0 AEAERN C/C=C/[C@H](O)c1ccc(N)c(F)c1 575557815 352665547 /nfs/dbraw/zinc/66/55/47/352665547.db2.gz KMDJCWQCXATKML-PBKGFPTLSA-N 0 0 181.210 2.017 10 0 AEAERN C/C=C/[C@@H](O)c1ccc(N)c(F)c1 575557824 352665717 /nfs/dbraw/zinc/66/57/17/352665717.db2.gz KMDJCWQCXATKML-VMZHVLLKSA-N 0 0 181.210 2.017 10 0 AEAERN CC(F)(F)C[C@H]1CCCC1=O 575558213 352667679 /nfs/dbraw/zinc/66/76/79/352667679.db2.gz BSWHUHZOXOGSJB-ZCFIWIBFSA-N 0 0 162.179 2.401 10 0 AEAERN CC(F)(F)C[C@@H]1CCCC1=O 575558210 352667675 /nfs/dbraw/zinc/66/76/75/352667675.db2.gz BSWHUHZOXOGSJB-LURJTMIESA-N 0 0 162.179 2.401 10 0 AEAERN Cc1cocc1C(=O)c1ccsn1 575558251 352667677 /nfs/dbraw/zinc/66/76/77/352667677.db2.gz LTRLSSFIRQOVBS-UHFFFAOYSA-N 0 0 193.227 2.276 10 0 AEAERN Cc1cocc1C(=O)c1ccc[nH]1 575558270 352667879 /nfs/dbraw/zinc/66/78/79/352667879.db2.gz MCHXLJISVXXAEX-UHFFFAOYSA-N 0 0 175.187 2.147 10 0 AEAERN C[C@@H]1CC[C@@](C)([C@@H](C)NN)C1(C)C 575558528 352668269 /nfs/dbraw/zinc/66/82/69/352668269.db2.gz KNEASWSEPUHJDZ-KKZNHRDASA-N 0 0 184.327 2.301 10 0 AEAERN CC(C)(C)c1ncc[nH]c1=S 575558494 352668391 /nfs/dbraw/zinc/66/83/91/352668391.db2.gz JGUZXSNMCJKGLZ-UHFFFAOYSA-N 0 0 168.265 2.437 10 0 AEAERN C[C@H](NN)[C@@]1(C)CC[C@@H](C)C1(C)C 575558529 352668514 /nfs/dbraw/zinc/66/85/14/352668514.db2.gz KNEASWSEPUHJDZ-WCABBAIRSA-N 0 0 184.327 2.301 10 0 AEAERN C[C@@H]1CC[C@](C)([C@@H](C)NN)C1(C)C 575558526 352668552 /nfs/dbraw/zinc/66/85/52/352668552.db2.gz KNEASWSEPUHJDZ-FXPVBKGRSA-N 0 0 184.327 2.301 10 0 AEAERN C[C@H](NN)[C@]1(C)CC[C@@H](C)C1(C)C 575558530 352668993 /nfs/dbraw/zinc/66/89/93/352668993.db2.gz KNEASWSEPUHJDZ-YWVKMMECSA-N 0 0 184.327 2.301 10 0 AEAERN C[C@H]1CCCC[C@@H]1C1(F)C[NH2+]C1 575558891 352669982 /nfs/dbraw/zinc/66/99/82/352669982.db2.gz SWBVEXDNIUJJQD-IUCAKERBSA-N 0 0 171.259 2.124 10 0 AEAERN Cc1cc([C@]2([NH3+])CCO[C@H]2C)cs1 575558930 352670068 /nfs/dbraw/zinc/67/00/68/352670068.db2.gz DXURLRNKTUBKHF-WPRPVWTQSA-N 0 0 197.303 2.019 10 0 AEAERN Cc1cc([C@]2([NH3+])CCO[C@@H]2C)cs1 575558919 352670210 /nfs/dbraw/zinc/67/02/10/352670210.db2.gz DXURLRNKTUBKHF-SCZZXKLOSA-N 0 0 197.303 2.019 10 0 AEAERN C[C@@H]1CCCC[C@@H]1C1(F)C[NH2+]C1 575558884 352670218 /nfs/dbraw/zinc/67/02/18/352670218.db2.gz SWBVEXDNIUJJQD-BDAKNGLRSA-N 0 0 171.259 2.124 10 0 AEAERN Cc1cc([C@@]2([NH3+])CCO[C@H]2C)cs1 575558923 352670288 /nfs/dbraw/zinc/67/02/88/352670288.db2.gz DXURLRNKTUBKHF-WCBMZHEXSA-N 0 0 197.303 2.019 10 0 AEAERN C[C@H]1CCCC[C@H]1C1(F)C[NH2+]C1 575558887 352670294 /nfs/dbraw/zinc/67/02/94/352670294.db2.gz SWBVEXDNIUJJQD-DTWKUNHWSA-N 0 0 171.259 2.124 10 0 AEAERN C[C@@H]1CCCC[C@H]1C1(F)C[NH2+]C1 575558894 352670320 /nfs/dbraw/zinc/67/03/20/352670320.db2.gz SWBVEXDNIUJJQD-RKDXNWHRSA-N 0 0 171.259 2.124 10 0 AEAERN Cc1cc([C@@]2([NH3+])CCO[C@@H]2C)cs1 575558917 352670348 /nfs/dbraw/zinc/67/03/48/352670348.db2.gz DXURLRNKTUBKHF-PSASIEDQSA-N 0 0 197.303 2.019 10 0 AEAERN CC[C@H]1CC[C@@H](C(F)(F)F)NC1 575559100 352670726 /nfs/dbraw/zinc/67/07/26/352670726.db2.gz MKPGWZWVVWZTSI-BQBZGAKWSA-N 0 0 181.201 2.327 10 0 AEAERN CC[C@@H]1CC[C@H](C(F)(F)F)NC1 575559106 352670787 /nfs/dbraw/zinc/67/07/87/352670787.db2.gz MKPGWZWVVWZTSI-RNFRBKRXSA-N 0 0 181.201 2.327 10 0 AEAERN CC[C@H]1CC[C@H](C(F)(F)F)NC1 575559105 352670943 /nfs/dbraw/zinc/67/09/43/352670943.db2.gz MKPGWZWVVWZTSI-NKWVEPMBSA-N 0 0 181.201 2.327 10 0 AEAERN CC[C@@H]1CC[C@@H](C(F)(F)F)NC1 575559117 352671662 /nfs/dbraw/zinc/67/16/62/352671662.db2.gz MKPGWZWVVWZTSI-RQJHMYQMSA-N 0 0 181.201 2.327 10 0 AEAERN Cc1ccc(O)cc1NC1CSC1 575559185 352671810 /nfs/dbraw/zinc/67/18/10/352671810.db2.gz MXFNOTZCPDTSFT-UHFFFAOYSA-N 0 0 195.287 2.228 10 0 AEAERN C[C@@H]1Oc2c(F)cccc2N[C@@H]1C 575559546 352673039 /nfs/dbraw/zinc/67/30/39/352673039.db2.gz HZBIUQXEBWYSDQ-RQJHMYQMSA-N 0 0 181.210 2.407 10 0 AEAERN C[C@@H]1Nc2cccc(F)c2O[C@H]1C 575559541 352673085 /nfs/dbraw/zinc/67/30/85/352673085.db2.gz HZBIUQXEBWYSDQ-BQBZGAKWSA-N 0 0 181.210 2.407 10 0 AEAERN C[C@H]1Nc2cccc(F)c2O[C@@H]1C 575559543 352673095 /nfs/dbraw/zinc/67/30/95/352673095.db2.gz HZBIUQXEBWYSDQ-RNFRBKRXSA-N 0 0 181.210 2.407 10 0 AEAERN C[C@@H]1Nc2cccc(F)c2O[C@@H]1C 575559542 352673097 /nfs/dbraw/zinc/67/30/97/352673097.db2.gz HZBIUQXEBWYSDQ-NKWVEPMBSA-N 0 0 181.210 2.407 10 0 AEAERN CO[C@H]1C[C@H](Nc2nc(C)cs2)C1 575559656 352673518 /nfs/dbraw/zinc/67/35/18/352673518.db2.gz VWEXPSGBIGDSDH-ZKCHVHJHSA-N 0 0 198.291 2.041 10 0 AEAERN C[C@@H]1CCCC[C@H]1[C@@H](F)C[NH3+] 575559878 352674290 /nfs/dbraw/zinc/67/42/90/352674290.db2.gz ZBJIWNBIPLJUFZ-HLTSFMKQSA-N 0 0 159.248 2.110 10 0 AEAERN Cc1csc2c(C)cc(=NN)[nH]c12 575559821 352674407 /nfs/dbraw/zinc/67/44/07/352674407.db2.gz UAYRVXNBSWAZSU-UHFFFAOYSA-N 0 0 193.275 2.199 10 0 AEAERN C[C@@H]1CCCC[C@@H]1[C@H](F)C[NH3+] 575559879 352674422 /nfs/dbraw/zinc/67/44/22/352674422.db2.gz ZBJIWNBIPLJUFZ-HRDYMLBCSA-N 0 0 159.248 2.110 10 0 AEAERN C[C@@H]1CCCC[C@H]1[C@H](F)C[NH3+] 575559880 352674446 /nfs/dbraw/zinc/67/44/46/352674446.db2.gz ZBJIWNBIPLJUFZ-IWSPIJDZSA-N 0 0 159.248 2.110 10 0 AEAERN C[C@@H]1CCCC[C@@H]1[C@@H](F)C[NH3+] 575559881 352674500 /nfs/dbraw/zinc/67/45/00/352674500.db2.gz ZBJIWNBIPLJUFZ-VGMNWLOBSA-N 0 0 159.248 2.110 10 0 AEAERN Cc1cc([C@@]2([NH3+])CCC2(C)C)sn1 575560231 352675624 /nfs/dbraw/zinc/67/56/24/352675624.db2.gz JIGLGWGZOKCBCC-JTQLQIEISA-N 0 0 196.319 2.426 10 0 AEAERN CC1(C)CC[C@@]1([NH3+])c1cncs1 575560173 352675632 /nfs/dbraw/zinc/67/56/32/352675632.db2.gz JAVWXIQZHTXVKR-SECBINFHSA-N 0 0 182.292 2.117 10 0 AEAERN CC1(C)CC[C@]1([NH3+])c1cncs1 575560175 352675673 /nfs/dbraw/zinc/67/56/73/352675673.db2.gz JAVWXIQZHTXVKR-VIFPVBQESA-N 0 0 182.292 2.117 10 0 AEAERN CC1(C)C[C@]1(C)C(=O)C1CC1 575560280 352675803 /nfs/dbraw/zinc/67/58/03/352675803.db2.gz ICJJPWWWAIDWKB-SNVBAGLBSA-N 0 0 152.237 2.402 10 0 AEAERN Cc1cc([C@]2([NH3+])CCC2(C)C)sn1 575560235 352675935 /nfs/dbraw/zinc/67/59/35/352675935.db2.gz JIGLGWGZOKCBCC-SNVBAGLBSA-N 0 0 196.319 2.426 10 0 AEAERN CC1(C)C[C@@]1(C)C(=O)C1CC1 575560278 352676066 /nfs/dbraw/zinc/67/60/66/352676066.db2.gz ICJJPWWWAIDWKB-JTQLQIEISA-N 0 0 152.237 2.402 10 0 AEAERN Cc1c([C@@]2(C)CC2(C)C)noc1N 575560445 352676451 /nfs/dbraw/zinc/67/64/51/352676451.db2.gz KTEQRIRFEAPNEC-SNVBAGLBSA-N 0 0 180.251 2.253 10 0 AEAERN Cc1c([C@]2(C)CC2(C)C)noc1N 575560443 352676525 /nfs/dbraw/zinc/67/65/25/352676525.db2.gz KTEQRIRFEAPNEC-JTQLQIEISA-N 0 0 180.251 2.253 10 0 AEAERN Cc1nc(-c2nccs2)[nH]c1C 575560862 352678310 /nfs/dbraw/zinc/67/83/10/352678310.db2.gz AVCUHKRDVDVTKA-UHFFFAOYSA-N 0 0 179.248 2.150 10 0 AEAERN Cc1ccc([C@H](O)C2CC(C)C2)[nH]1 575561008 352678959 /nfs/dbraw/zinc/67/89/59/352678959.db2.gz PMKZQNLYTWEEPT-LKXRVVKTSA-N 0 0 179.263 2.403 10 0 AEAERN Cc1ccc([C@@H](O)C2CCC2)[nH]1 575561026 352678970 /nfs/dbraw/zinc/67/89/70/352678970.db2.gz RZJRKQDYTBZLNN-JTQLQIEISA-N 0 0 165.236 2.157 10 0 AEAERN Cc1nc(C2=NC(=O)CS2)cs1 575561018 352679004 /nfs/dbraw/zinc/67/90/04/352679004.db2.gz ROOCOJSBMLKRDQ-UHFFFAOYSA-N 0 0 198.272 2.281 10 0 AEAERN Cc1cocc1C(=O)c1cc[nH]c1 575560910 352679116 /nfs/dbraw/zinc/67/91/16/352679116.db2.gz XCCWHHGVXXJYBM-UHFFFAOYSA-N 0 0 175.187 2.147 10 0 AEAERN S=c1[nH]ccnc1-c1cncs1 575561000 352679134 /nfs/dbraw/zinc/67/91/34/352679134.db2.gz PJWARFOGORBKNC-UHFFFAOYSA-N 0 0 195.272 2.263 10 0 AEAERN Cc1csc(-c2n[nH]cc2Cl)n1 575560971 352679149 /nfs/dbraw/zinc/67/91/49/352679149.db2.gz NAZAGVJORIQYJR-UHFFFAOYSA-N 0 0 199.666 2.495 10 0 AEAERN Cc1ccc([C@H](O)C2CCC2)[nH]1 575561028 352679168 /nfs/dbraw/zinc/67/91/68/352679168.db2.gz RZJRKQDYTBZLNN-SNVBAGLBSA-N 0 0 165.236 2.157 10 0 AEAERN Cc1ccc([C@@H](O)C2CC(C)C2)[nH]1 575561002 352679217 /nfs/dbraw/zinc/67/92/17/352679217.db2.gz PMKZQNLYTWEEPT-FBUXNDKQSA-N 0 0 179.263 2.403 10 0 AEAERN CC(C)[C@]1(C2CC2)CC(=O)CCO1 575561096 352679622 /nfs/dbraw/zinc/67/96/22/352679622.db2.gz MXDPJOMENMBTRH-NSHDSACASA-N 0 0 182.263 2.171 10 0 AEAERN CC(C)[C@@]1(C2CC2)CC(=O)CCO1 575561095 352679816 /nfs/dbraw/zinc/67/98/16/352679816.db2.gz MXDPJOMENMBTRH-LLVKDONJSA-N 0 0 182.263 2.171 10 0 AEAERN Cc1nc([C@]2([NH3+])CCC2(C)C)cs1 575561720 352682460 /nfs/dbraw/zinc/68/24/60/352682460.db2.gz SWILFOKKAYYLKW-SNVBAGLBSA-N 0 0 196.319 2.426 10 0 AEAERN CC(=O)[C@H](C)CC(C)(F)F 575561777 352682463 /nfs/dbraw/zinc/68/24/63/352682463.db2.gz UZHMLHAYLFWSEC-RXMQYKEDSA-N 0 0 150.168 2.257 10 0 AEAERN C[C@]([NH3+])(c1ccsn1)C1CCC1 575561709 352682465 /nfs/dbraw/zinc/68/24/65/352682465.db2.gz UCPUIAWZSVJOCT-SECBINFHSA-N 0 0 182.292 2.117 10 0 AEAERN Cc1ncc(C2([NH3+])CC(C)(C)C2)s1 575561705 352682472 /nfs/dbraw/zinc/68/24/72/352682472.db2.gz STPDEKAHWUJPRF-UHFFFAOYSA-N 0 0 196.319 2.426 10 0 AEAERN CC1(C)CC([NH3+])(c2ccsn2)C1 575561744 352682487 /nfs/dbraw/zinc/68/24/87/352682487.db2.gz TXUQEFKLKMGBOQ-UHFFFAOYSA-N 0 0 182.292 2.117 10 0 AEAERN Cc1nc([C@@]2([NH3+])CCC2(C)C)cs1 575561719 352682491 /nfs/dbraw/zinc/68/24/91/352682491.db2.gz SWILFOKKAYYLKW-JTQLQIEISA-N 0 0 196.319 2.426 10 0 AEAERN Cc1cc(C2([NH3+])CC(C)(C)C2)sn1 575561725 352682579 /nfs/dbraw/zinc/68/25/79/352682579.db2.gz SZTFFEJUWCZHPZ-UHFFFAOYSA-N 0 0 196.319 2.426 10 0 AEAERN CC(=O)[C@@H](C)CC(C)(F)F 575561778 352682610 /nfs/dbraw/zinc/68/26/10/352682610.db2.gz UZHMLHAYLFWSEC-YFKPBYRVSA-N 0 0 150.168 2.257 10 0 AEAERN C[C@@]([NH3+])(c1ccsn1)C1CCC1 575561710 352682851 /nfs/dbraw/zinc/68/28/51/352682851.db2.gz UCPUIAWZSVJOCT-VIFPVBQESA-N 0 0 182.292 2.117 10 0 AEAERN CC(=O)C1(CC(C)(F)F)CC1 575561817 352683267 /nfs/dbraw/zinc/68/32/67/352683267.db2.gz VFYIMVRSXZWRQG-UHFFFAOYSA-N 0 0 162.179 2.401 10 0 AEAERN C[C@H]1c2ccccc2C[C@@]12CO2 575562130 352684684 /nfs/dbraw/zinc/68/46/84/352684684.db2.gz VDYLKXZWCKXLGW-GZMMTYOYSA-N 0 0 160.216 2.115 10 0 AEAERN C[C@H]1c2ccccc2C[C@]12CO2 575562146 352684811 /nfs/dbraw/zinc/68/48/11/352684811.db2.gz VDYLKXZWCKXLGW-KWQFWETISA-N 0 0 160.216 2.115 10 0 AEAERN C[C@@H]1c2ccccc2C[C@]12CO2 575562143 352684817 /nfs/dbraw/zinc/68/48/17/352684817.db2.gz VDYLKXZWCKXLGW-KCJUWKMLSA-N 0 0 160.216 2.115 10 0 AEAERN C[C@@H]1c2ccccc2C[C@@]12CO2 575562148 352684940 /nfs/dbraw/zinc/68/49/40/352684940.db2.gz VDYLKXZWCKXLGW-LDYMZIIASA-N 0 0 160.216 2.115 10 0 AEAERN CC(C)[C@]([NH3+])(C(F)F)C1CC1 575562239 352685247 /nfs/dbraw/zinc/68/52/47/352685247.db2.gz XFKCKZDJDZEDGX-MRVPVSSYSA-N 0 0 163.211 2.015 10 0 AEAERN Cc1ccc([C@@H](O)C(C)C)[nH]1 575562276 352685347 /nfs/dbraw/zinc/68/53/47/352685347.db2.gz AAGLHGJBSUAMQV-VIFPVBQESA-N 0 0 153.225 2.013 10 0 AEAERN CC(C)[C@@]([NH3+])(C(F)F)C1CC1 575562240 352685380 /nfs/dbraw/zinc/68/53/80/352685380.db2.gz XFKCKZDJDZEDGX-QMMMGPOBSA-N 0 0 163.211 2.015 10 0 AEAERN C=CC(=O)Nc1sccc1C(C)=O 575562200 352685502 /nfs/dbraw/zinc/68/55/02/352685502.db2.gz ZFUIMHQFCIEQOO-UHFFFAOYSA-N 0 0 195.243 2.075 10 0 AEAERN Cc1ccc([C@H](O)C(C)C)[nH]1 575562264 352685532 /nfs/dbraw/zinc/68/55/32/352685532.db2.gz AAGLHGJBSUAMQV-SECBINFHSA-N 0 0 153.225 2.013 10 0 AEAERN Cc1cocc1-c1noc(N)c1C 575562234 352685555 /nfs/dbraw/zinc/68/55/55/352685555.db2.gz ZRLZCPLWKVMEAR-UHFFFAOYSA-N 0 0 178.191 2.134 10 0 AEAERN CC1(C)CN(c2ncc[nH]2)C1(C)C 575562418 352685930 /nfs/dbraw/zinc/68/59/30/352685930.db2.gz SLSQNPDNLVHVEX-UHFFFAOYSA-N 0 0 179.267 2.035 10 0 AEAERN CN(c1ncc[nH]1)[C@@H]1CCC1(C)C 575562389 352686022 /nfs/dbraw/zinc/68/60/22/352686022.db2.gz MTEBBOKIYLHJRT-MRVPVSSYSA-N 0 0 179.267 2.035 10 0 AEAERN CC1CC(c2nnc(C3CC3)[nH]2)C1 575562462 352686504 /nfs/dbraw/zinc/68/65/04/352686504.db2.gz ZTSBOCLOKHXNOP-UHFFFAOYSA-N 0 0 177.251 2.196 10 0 AEAERN Cc1ccc([C@@H](O)C(C)(C)C)[nH]1 575562450 352686623 /nfs/dbraw/zinc/68/66/23/352686623.db2.gz YQGILZPGJLCLSZ-SECBINFHSA-N 0 0 167.252 2.403 10 0 AEAERN Cc1ccc([C@H](O)C(C)(C)C)[nH]1 575562451 352686659 /nfs/dbraw/zinc/68/66/59/352686659.db2.gz YQGILZPGJLCLSZ-VIFPVBQESA-N 0 0 167.252 2.403 10 0 AEAERN CCc1nc[nH]c(=S)c1C(C)C 575562445 352686709 /nfs/dbraw/zinc/68/67/09/352686709.db2.gz XDTWRLQRYFFLKZ-UHFFFAOYSA-N 0 0 182.292 2.451 10 0 AEAERN CC1(C)C[C@@]1(C)c1nc(N)cs1 575563137 352689282 /nfs/dbraw/zinc/68/92/82/352689282.db2.gz FVJGRVWEIZDENJ-VIFPVBQESA-N 0 0 182.292 2.413 10 0 AEAERN CCCc1ncc[nH]c1=S 575563232 352689455 /nfs/dbraw/zinc/68/94/55/352689455.db2.gz JCNBRZVIYYKZFM-UHFFFAOYSA-N 0 0 154.238 2.092 10 0 AEAERN CC1(C)C[C@]1(C)c1nc(N)cs1 575563136 352689646 /nfs/dbraw/zinc/68/96/46/352689646.db2.gz FVJGRVWEIZDENJ-SECBINFHSA-N 0 0 182.292 2.413 10 0 AEAERN CC1(C)C[C@]1(C)CN1CN=NC1=S 575563472 352690664 /nfs/dbraw/zinc/69/06/64/352690664.db2.gz LOSKMKDVSCVPTI-SECBINFHSA-N 0 0 197.307 2.003 10 0 AEAERN CC1(C)C[C@@]1(C)CN1CN=NC1=S 575563474 352691019 /nfs/dbraw/zinc/69/10/19/352691019.db2.gz LOSKMKDVSCVPTI-VIFPVBQESA-N 0 0 197.307 2.003 10 0 AEAERN CC1N=NC(=S)N1C(C)(C)C(C)C 575563543 352691081 /nfs/dbraw/zinc/69/10/81/352691081.db2.gz MZOQSRWMLDAZMA-UHFFFAOYSA-N 0 0 199.323 2.266 10 0 AEAERN CC1(C)C[C@@]1(C)NCC(F)F 575563555 352691469 /nfs/dbraw/zinc/69/14/69/352691469.db2.gz NMJOQLNDSTWHKU-MRVPVSSYSA-N 0 0 163.211 2.030 10 0 AEAERN CC1(C)C[C@]1(C)NCC(F)F 575563556 352691537 /nfs/dbraw/zinc/69/15/37/352691537.db2.gz NMJOQLNDSTWHKU-QMMMGPOBSA-N 0 0 163.211 2.030 10 0 AEAERN CC1(C)C[C@]1(C)n1cc[nH]c1=S 575563915 352692929 /nfs/dbraw/zinc/69/29/29/352692929.db2.gz ZJXKNQRPMANOAT-VIFPVBQESA-N 0 0 182.292 2.317 10 0 AEAERN CC1(C)C[C@@]1(C)n1cc[nH]c1=S 575563912 352693008 /nfs/dbraw/zinc/69/30/08/352693008.db2.gz ZJXKNQRPMANOAT-SECBINFHSA-N 0 0 182.292 2.317 10 0 AEAERN O=C1CCCC[C@@]1(O)CC1CCC1 575563917 352693068 /nfs/dbraw/zinc/69/30/68/352693068.db2.gz WRICWSSBNODKNG-LLVKDONJSA-N 0 0 182.263 2.051 10 0 AEAERN O=C1CCCC[C@]1(O)CC1CCC1 575563919 352693574 /nfs/dbraw/zinc/69/35/74/352693574.db2.gz WRICWSSBNODKNG-NSHDSACASA-N 0 0 182.263 2.051 10 0 AEAERN Oc1cccc(S[C@H]2CC[C@H]2O)c1 575564240 352694911 /nfs/dbraw/zinc/69/49/11/352694911.db2.gz JIYYXOIQQODJCD-ZJUUUORDSA-N 0 0 196.271 2.008 10 0 AEAERN Oc1cccc(S[C@@H]2CC[C@H]2O)c1 575564236 352694937 /nfs/dbraw/zinc/69/49/37/352694937.db2.gz JIYYXOIQQODJCD-NXEZZACHSA-N 0 0 196.271 2.008 10 0 AEAERN Oc1cccc(S[C@@H]2CC[C@@H]2O)c1 575564239 352694958 /nfs/dbraw/zinc/69/49/58/352694958.db2.gz JIYYXOIQQODJCD-VHSXEESVSA-N 0 0 196.271 2.008 10 0 AEAERN Oc1cccc(S[C@H]2CC[C@@H]2O)c1 575564238 352695085 /nfs/dbraw/zinc/69/50/85/352695085.db2.gz JIYYXOIQQODJCD-UWVGGRQHSA-N 0 0 196.271 2.008 10 0 AEAERN C[C@@]1(O)CCCC[C@H]1c1ccc[nH]1 575564400 352695643 /nfs/dbraw/zinc/69/56/43/352695643.db2.gz MLPADRQSFIKPLY-GXSJLCMTSA-N 0 0 179.263 2.423 10 0 AEAERN Cc1cc(C)c([C@H](O)[C@@H]2C[C@@H]2C)[nH]1 575564357 352695663 /nfs/dbraw/zinc/69/56/63/352695663.db2.gz GQOKLELXDIHFHB-PTHKFVFGSA-N 0 0 179.263 2.321 10 0 AEAERN Cc1cc(C)c([C@H](O)[C@H]2C[C@H]2C)[nH]1 575564356 352695666 /nfs/dbraw/zinc/69/56/66/352695666.db2.gz GQOKLELXDIHFHB-OUAIYISWSA-N 0 0 179.263 2.321 10 0 AEAERN C[C@@]1(O)CCCC[C@@H]1c1ccc[nH]1 575564404 352695704 /nfs/dbraw/zinc/69/57/04/352695704.db2.gz MLPADRQSFIKPLY-MWLCHTKSSA-N 0 0 179.263 2.423 10 0 AEAERN Cc1cc(C)c([C@H](O)[C@H]2C[C@@H]2C)[nH]1 575564352 352695708 /nfs/dbraw/zinc/69/57/08/352695708.db2.gz GQOKLELXDIHFHB-DQBIJJQNSA-N 0 0 179.263 2.321 10 0 AEAERN Cc1cc(C)c([C@H](O)C(C)(C)F)[nH]1 575564336 352695728 /nfs/dbraw/zinc/69/57/28/352695728.db2.gz DYFBYZBWKITLEO-VIFPVBQESA-N 0 0 185.242 2.413 10 0 AEAERN C[C@]1(O)CCCC[C@H]1c1ccc[nH]1 575564406 352695777 /nfs/dbraw/zinc/69/57/77/352695777.db2.gz MLPADRQSFIKPLY-ONGXEEELSA-N 0 0 179.263 2.423 10 0 AEAERN Cc1nc(-c2cc[nH]n2)sc1C 575564361 352695781 /nfs/dbraw/zinc/69/57/81/352695781.db2.gz HIGGUYWYSOGNDT-UHFFFAOYSA-N 0 0 179.248 2.150 10 0 AEAERN Cc1cc(C)c([C@@H](O)C(C)(C)F)[nH]1 575564332 352695785 /nfs/dbraw/zinc/69/57/85/352695785.db2.gz DYFBYZBWKITLEO-SECBINFHSA-N 0 0 185.242 2.413 10 0 AEAERN Cc1cc([C@H](O)C2CCC2)c(C)[nH]1 575564362 352695786 /nfs/dbraw/zinc/69/57/86/352695786.db2.gz HNPQAQBNEACKPD-LLVKDONJSA-N 0 0 179.263 2.465 10 0 AEAERN Cc1cc([C@@H](O)C2CCC2)c(C)[nH]1 575564363 352695806 /nfs/dbraw/zinc/69/58/06/352695806.db2.gz HNPQAQBNEACKPD-NSHDSACASA-N 0 0 179.263 2.465 10 0 AEAERN C[C@]1(O)CCCC[C@@H]1c1ccc[nH]1 575564403 352695815 /nfs/dbraw/zinc/69/58/15/352695815.db2.gz MLPADRQSFIKPLY-KOLCDFICSA-N 0 0 179.263 2.423 10 0 AEAERN S=c1cnc(-c2cncs2)c[nH]1 575564364 352695825 /nfs/dbraw/zinc/69/58/25/352695825.db2.gz INMQZUMSUMPMAG-UHFFFAOYSA-N 0 0 195.272 2.263 10 0 AEAERN Cc1cc(C)c([C@H](O)[C@@H]2C[C@H]2C)[nH]1 575564354 352695832 /nfs/dbraw/zinc/69/58/32/352695832.db2.gz GQOKLELXDIHFHB-KNBVPPQFSA-N 0 0 179.263 2.321 10 0 AEAERN O=c1[nH]cnc2c(Cl)c(F)ccc12 575564461 352696264 /nfs/dbraw/zinc/69/62/64/352696264.db2.gz SPAVXFHTVOBGLP-UHFFFAOYSA-N 0 0 198.584 2.128 10 0 AEAERN Cc1ccc([C@H](O)[C@]2(C)C[C@H]2F)[nH]1 575564452 352696325 /nfs/dbraw/zinc/69/63/25/352696325.db2.gz SFJQANOHBYHEIB-KXUCPTDWSA-N 0 0 183.226 2.105 10 0 AEAERN Oc1ccc2ccnc(F)c2c1 575564538 352696334 /nfs/dbraw/zinc/69/63/34/352696334.db2.gz RYCSOLUFFNNBDP-UHFFFAOYSA-N 0 0 163.151 2.080 10 0 AEAERN Cc1ccc([C@H](O)[C@@]2(C)C[C@@H]2F)[nH]1 575564446 352696336 /nfs/dbraw/zinc/69/63/36/352696336.db2.gz SFJQANOHBYHEIB-GUBZILKMSA-N 0 0 183.226 2.105 10 0 AEAERN Cc1ccc([C@H](O)[C@]2(C)C[C@@H]2F)[nH]1 575564454 352696347 /nfs/dbraw/zinc/69/63/47/352696347.db2.gz SFJQANOHBYHEIB-LPEHRKFASA-N 0 0 183.226 2.105 10 0 AEAERN C=Cc1nc(Cl)nc2cc[nH]c12 575564439 352696377 /nfs/dbraw/zinc/69/63/77/352696377.db2.gz RQMCDDZCKRVSEY-UHFFFAOYSA-N 0 0 179.610 2.254 10 0 AEAERN Cc1ccc([C@H](O)[C@@]2(C)C[C@H]2F)[nH]1 575564457 352696404 /nfs/dbraw/zinc/69/64/04/352696404.db2.gz SFJQANOHBYHEIB-UTLUCORTSA-N 0 0 183.226 2.105 10 0 AEAERN OC1(CNc2ccsc2)CCC1 575564565 352696827 /nfs/dbraw/zinc/69/68/27/352696827.db2.gz GEHHMXZLJFQQTK-UHFFFAOYSA-N 0 0 183.276 2.075 10 0 AEAERN C[C@H]1C[C@]1(C)Cn1cc[nH]c1=S 575565458 352701519 /nfs/dbraw/zinc/70/15/19/352701519.db2.gz KMTXKRHCFQRUDN-IONNQARKSA-N 0 0 182.292 2.218 10 0 AEAERN C[C@@H]1C[C@]1(C)Cn1cc[nH]c1=S 575565459 352701441 /nfs/dbraw/zinc/70/14/41/352701441.db2.gz KMTXKRHCFQRUDN-VXNVDRBHSA-N 0 0 182.292 2.218 10 0 AEAERN C[C@H]1C[C@@]1(C)Cn1cc[nH]c1=S 575565457 352701540 /nfs/dbraw/zinc/70/15/40/352701540.db2.gz KMTXKRHCFQRUDN-CBAPKCEASA-N 0 0 182.292 2.218 10 0 AEAERN C[C@@H]1C[C@@]1(C)Cn1cc[nH]c1=S 575565456 352701568 /nfs/dbraw/zinc/70/15/68/352701568.db2.gz KMTXKRHCFQRUDN-APPZFPTMSA-N 0 0 182.292 2.218 10 0 AEAERN Cc1ncc([C@]2([NH3+])C[C@@H](C)[C@H]2C)s1 575566181 352705684 /nfs/dbraw/zinc/70/56/84/352705684.db2.gz CJLLEOFLCFHSCZ-XSSZXYGBSA-N 0 0 196.319 2.281 10 0 AEAERN Cc1ncc([C@]2([NH3+])C[C@H](C)[C@H]2C)s1 575566180 352705691 /nfs/dbraw/zinc/70/56/91/352705691.db2.gz CJLLEOFLCFHSCZ-PJKMHFRUSA-N 0 0 196.319 2.281 10 0 AEAERN Cc1ncc([C@]2([NH3+])C[C@H](C)[C@@H]2C)s1 575566178 352705728 /nfs/dbraw/zinc/70/57/28/352705728.db2.gz CJLLEOFLCFHSCZ-BYULHYEWSA-N 0 0 196.319 2.281 10 0 AEAERN Cc1ncc([C@]2([NH3+])C[C@@H](C)[C@@H]2C)s1 575566179 352705869 /nfs/dbraw/zinc/70/58/69/352705869.db2.gz CJLLEOFLCFHSCZ-FWWHASMVSA-N 0 0 196.319 2.281 10 0 AEAERN O=C1CCCC[C@H]1CC1(O)CCC1 575566324 352706395 /nfs/dbraw/zinc/70/63/95/352706395.db2.gz UCQASAKIMIHCEV-VIFPVBQESA-N 0 0 182.263 2.051 10 0 AEAERN O=C1CCCC[C@@H]1CC1(O)CCC1 575566323 352706649 /nfs/dbraw/zinc/70/66/49/352706649.db2.gz UCQASAKIMIHCEV-SECBINFHSA-N 0 0 182.263 2.051 10 0 AEAERN Cc1nc([C@H]2CCCC23CC3)n[nH]1 575566458 352707042 /nfs/dbraw/zinc/70/70/42/352707042.db2.gz HHXFWFFRLPVXQK-MRVPVSSYSA-N 0 0 177.251 2.161 10 0 AEAERN CC(C)c1nc([C@H]2CO2)cs1 575566513 352707155 /nfs/dbraw/zinc/70/71/55/352707155.db2.gz JWIGKKSBSSPBGB-SSDOTTSWSA-N 0 0 169.249 2.338 10 0 AEAERN Cc1nc([C@@H]2CCCC23CC3)n[nH]1 575566466 352707168 /nfs/dbraw/zinc/70/71/68/352707168.db2.gz HHXFWFFRLPVXQK-QMMMGPOBSA-N 0 0 177.251 2.161 10 0 AEAERN CC(C)c1nc([C@@H]2CO2)cs1 575566514 352707230 /nfs/dbraw/zinc/70/72/30/352707230.db2.gz JWIGKKSBSSPBGB-ZETCQYMHSA-N 0 0 169.249 2.338 10 0 AEAERN CC1(C)C[C@@]1(C)c1nccc(=S)[nH]1 575566613 352707778 /nfs/dbraw/zinc/70/77/78/352707778.db2.gz MGXIWQTUSGBWON-JTQLQIEISA-N 0 0 194.303 2.453 10 0 AEAERN CC1(C)C[C@]1(C)c1nccc(=S)[nH]1 575566616 352708079 /nfs/dbraw/zinc/70/80/79/352708079.db2.gz MGXIWQTUSGBWON-SNVBAGLBSA-N 0 0 194.303 2.453 10 0 AEAERN S=c1ccnc([C@H]2CC23CC3)[nH]1 575566947 352708464 /nfs/dbraw/zinc/70/84/64/352708464.db2.gz ZEGHTYRZYSEAEU-ZCFIWIBFSA-N 0 0 178.260 2.033 10 0 AEAERN S=c1ccnc([C@@H]2CC23CC3)[nH]1 575566944 352708684 /nfs/dbraw/zinc/70/86/84/352708684.db2.gz ZEGHTYRZYSEAEU-LURJTMIESA-N 0 0 178.260 2.033 10 0 AEAERN CC(=O)c1ccc(N2CC[C@@H]2C)o1 575567053 352709204 /nfs/dbraw/zinc/70/92/04/352709204.db2.gz IVXOLADDSJLOGS-ZETCQYMHSA-N 0 0 179.219 2.081 10 0 AEAERN Cc1sccc1[C@@]1([NH3+])CO[C@H](C)C1 575567013 352709255 /nfs/dbraw/zinc/70/92/55/352709255.db2.gz WUXXWVAZTGMOQC-XCBNKYQSSA-N 0 0 197.303 2.019 10 0 AEAERN Cc1sccc1[C@]1([NH3+])CO[C@@H](C)C1 575567012 352709272 /nfs/dbraw/zinc/70/92/72/352709272.db2.gz WUXXWVAZTGMOQC-OIBJUYFYSA-N 0 0 197.303 2.019 10 0 AEAERN CC(=O)c1ccc(N2CC[C@H]2C)o1 575567052 352709407 /nfs/dbraw/zinc/70/94/07/352709407.db2.gz IVXOLADDSJLOGS-SSDOTTSWSA-N 0 0 179.219 2.081 10 0 AEAERN Cc1sccc1[C@]1([NH3+])CO[C@H](C)C1 575567010 352709470 /nfs/dbraw/zinc/70/94/70/352709470.db2.gz WUXXWVAZTGMOQC-GMSGAONNSA-N 0 0 197.303 2.019 10 0 AEAERN Cc1sccc1[C@@]1([NH3+])CO[C@@H](C)C1 575567015 352709501 /nfs/dbraw/zinc/70/95/01/352709501.db2.gz WUXXWVAZTGMOQC-XVKPBYJWSA-N 0 0 197.303 2.019 10 0 AEAERN Cc1cc(=S)[nH]c([C@@H]2CC23CC3)n1 575567149 352709885 /nfs/dbraw/zinc/70/98/85/352709885.db2.gz JDZUZZAZFUHWCE-ZETCQYMHSA-N 0 0 192.287 2.341 10 0 AEAERN O[C@@]1(c2ccc[nH]2)CCCSCC1 575567091 352709941 /nfs/dbraw/zinc/70/99/41/352709941.db2.gz ICMURYCSIMOSGX-JTQLQIEISA-N 0 0 197.303 2.119 10 0 AEAERN Cc1cc(=S)[nH]c([C@H]2CC23CC3)n1 575567140 352710002 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/nfs/dbraw/zinc/76/40/61/352764061.db2.gz NWBPUKLFMGSQPI-SCZZXKLOSA-N 0 0 194.303 2.362 10 0 AEAERN S=c1[nH]ccn1C1(C2CCC2)CC1 575577942 352764491 /nfs/dbraw/zinc/76/44/91/352764491.db2.gz RDWUBMNILGKFAR-UHFFFAOYSA-N 0 0 194.303 2.461 10 0 AEAERN Cc1c[nH]c(=S)n1C1(C2CC2)CC1 575577915 352764817 /nfs/dbraw/zinc/76/48/17/352764817.db2.gz QEBVYWSEWGWYJP-UHFFFAOYSA-N 0 0 194.303 2.379 10 0 AEAERN S=c1[nH]ccn1C[C@H]1C[C@@H]2C[C@@H]2C1 575578047 352765485 /nfs/dbraw/zinc/76/54/85/352765485.db2.gz XBMRKZUNJDBVGL-AYMMMOKOSA-N 0 0 194.303 2.218 10 0 AEAERN O=C1CSC(c2cncc(F)c2)=N1 575578036 352765528 /nfs/dbraw/zinc/76/55/28/352765528.db2.gz WJNQGSBPHFXHMG-UHFFFAOYSA-N 0 0 196.206 2.050 10 0 AEAERN S=c1cccc(-c2cncs2)[nH]1 575578082 352765609 /nfs/dbraw/zinc/76/56/09/352765609.db2.gz YRKBRHZOOOKUGT-UHFFFAOYSA-N 0 0 194.284 2.494 10 0 AEAERN S=C1N=NCN1C1CC2(CCC2)C1 575578029 352765612 /nfs/dbraw/zinc/76/56/12/352765612.db2.gz VQTHGZIVSKDEGB-UHFFFAOYSA-N 0 0 195.291 2.072 10 0 AEAERN Cc1csc([C@@H]2CC(=O)[C@H]2C)n1 575578189 352765941 /nfs/dbraw/zinc/76/59/41/352765941.db2.gz OHSLJHZGYLQBIF-NKWVEPMBSA-N 0 0 181.260 2.144 10 0 AEAERN Cc1csc([C@H]2CC(=O)[C@H]2C)n1 575578183 352766002 /nfs/dbraw/zinc/76/60/02/352766002.db2.gz OHSLJHZGYLQBIF-BQBZGAKWSA-N 0 0 181.260 2.144 10 0 AEAERN Cc1csc([C@@H]2CC(=O)[C@@H]2C)n1 575578196 352766160 /nfs/dbraw/zinc/76/61/60/352766160.db2.gz OHSLJHZGYLQBIF-RNFRBKRXSA-N 0 0 181.260 2.144 10 0 AEAERN CC(C)C1(c2nc(=S)n(C)[nH]2)CC1 575578132 352766201 /nfs/dbraw/zinc/76/62/01/352766201.db2.gz ZXKAUAGFENTIBW-UHFFFAOYSA-N 0 0 197.307 2.165 10 0 AEAERN CC1(C)CC(C(=O)C2CC2)C1 575578336 352766853 /nfs/dbraw/zinc/76/68/53/352766853.db2.gz USYMPYZBHSRTGJ-UHFFFAOYSA-N 0 0 152.237 2.402 10 0 AEAERN C[C@@H](CF)Nc1cccc(N)c1 575579014 352770238 /nfs/dbraw/zinc/77/02/38/352770238.db2.gz JLEGCOBWGJWBSD-ZETCQYMHSA-N 0 0 168.215 2.039 10 0 AEAERN C[C@H](CF)Nc1cccc(N)c1 575579012 352770242 /nfs/dbraw/zinc/77/02/42/352770242.db2.gz JLEGCOBWGJWBSD-SSDOTTSWSA-N 0 0 168.215 2.039 10 0 AEAERN C[C@@H]1C[C@]1(C)C(=O)c1ccc[nH]1 575579072 352770725 /nfs/dbraw/zinc/77/07/25/352770725.db2.gz WIIBVNVCZXOKDU-XCBNKYQSSA-N 0 0 163.220 2.244 10 0 AEAERN C[C@H]1C[C@@]1(C)C(=O)c1ccc[nH]1 575579071 352770834 /nfs/dbraw/zinc/77/08/34/352770834.db2.gz WIIBVNVCZXOKDU-OIBJUYFYSA-N 0 0 163.220 2.244 10 0 AEAERN C[C@H]1C[C@]1(C)C(=O)c1ccc[nH]1 575579073 352770947 /nfs/dbraw/zinc/77/09/47/352770947.db2.gz WIIBVNVCZXOKDU-XVKPBYJWSA-N 0 0 163.220 2.244 10 0 AEAERN C[C@@H]1C[C@@]1(C)C(=O)c1ccc[nH]1 575579070 352770959 /nfs/dbraw/zinc/77/09/59/352770959.db2.gz WIIBVNVCZXOKDU-GMSGAONNSA-N 0 0 163.220 2.244 10 0 AEAERN Cc1cc(C(=O)[C@@H]2C[C@@H]2C)c(C)[nH]1 575579324 352771344 /nfs/dbraw/zinc/77/13/44/352771344.db2.gz KWZQBQPDDONOFJ-IMTBSYHQSA-N 0 0 177.247 2.470 10 0 AEAERN Cc1cc(C(=O)[C@H]2C[C@@H]2C)c(C)[nH]1 575579326 352771692 /nfs/dbraw/zinc/77/16/92/352771692.db2.gz KWZQBQPDDONOFJ-RCOVLWMOSA-N 0 0 177.247 2.470 10 0 AEAERN Cc1cc(C(=O)[C@@H]2C[C@H]2C)c(C)[nH]1 575579306 352771695 /nfs/dbraw/zinc/77/16/95/352771695.db2.gz KWZQBQPDDONOFJ-HZGVNTEJSA-N 0 0 177.247 2.470 10 0 AEAERN C[C@@H]1C[C@@]1(C)C(=O)[C@H]1CCCS1 575579376 352772057 /nfs/dbraw/zinc/77/20/57/352772057.db2.gz XQBUYCBCHRSDBC-NQMVMOMDSA-N 0 0 184.304 2.497 10 0 AEAERN C[C@@H]1C[C@]1(C)C(=O)[C@H]1CCCS1 575579375 352772068 /nfs/dbraw/zinc/77/20/68/352772068.db2.gz XQBUYCBCHRSDBC-MRTMQBJTSA-N 0 0 184.304 2.497 10 0 AEAERN C[C@@H]1C[C@@]1(C)C(=O)[C@@H]1CCCS1 575579374 352772276 /nfs/dbraw/zinc/77/22/76/352772276.db2.gz XQBUYCBCHRSDBC-KHQFGBGNSA-N 0 0 184.304 2.497 10 0 AEAERN C[C@@H]1C[C@]1(C)C(=O)[C@@H]1CCCS1 575579377 352772381 /nfs/dbraw/zinc/77/23/81/352772381.db2.gz XQBUYCBCHRSDBC-WEDXCCLWSA-N 0 0 184.304 2.497 10 0 AEAERN CC(=O)[C@@H]1C[C@@H]1[C@@H]1CC1(C)C 575579832 352773570 /nfs/dbraw/zinc/77/35/70/352773570.db2.gz OILQRRIKCJSKQE-CIUDSAMLSA-N 0 0 152.237 2.258 10 0 AEAERN CC(=O)[C@@H]1C[C@@H]1[C@H]1CC1(C)C 575579834 352773737 /nfs/dbraw/zinc/77/37/37/352773737.db2.gz OILQRRIKCJSKQE-XHNCKOQMSA-N 0 0 152.237 2.258 10 0 AEAERN CC(=O)[C@@H]1C[C@H]1[C@@H]1CC1(C)C 575579835 352773887 /nfs/dbraw/zinc/77/38/87/352773887.db2.gz OILQRRIKCJSKQE-YIZRAAEISA-N 0 0 152.237 2.258 10 0 AEAERN CC(=O)[C@@H]1C[C@H]1[C@H]1CC1(C)C 575579833 352773923 /nfs/dbraw/zinc/77/39/23/352773923.db2.gz OILQRRIKCJSKQE-DJLDLDEBSA-N 0 0 152.237 2.258 10 0 AEAERN C[C@H](CF)Nc1ncc(F)cc1F 575579929 352774356 /nfs/dbraw/zinc/77/43/56/352774356.db2.gz OMYVJCBNBOGKDP-RXMQYKEDSA-N 0 0 190.168 2.130 10 0 AEAERN C[C@H]1C[C@@]1(C)Nc1ncccc1F 575579932 352774358 /nfs/dbraw/zinc/77/43/58/352774358.db2.gz ONTFUHBRTGZZNG-OIBJUYFYSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@@H]1C[C@]1(C)Nc1ncccc1F 575579933 352774392 /nfs/dbraw/zinc/77/43/92/352774392.db2.gz ONTFUHBRTGZZNG-XCBNKYQSSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@H]1C[C@]1(C)Nc1ncccc1F 575579934 352774516 /nfs/dbraw/zinc/77/45/16/352774516.db2.gz ONTFUHBRTGZZNG-XVKPBYJWSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@@H]1C[C@@]1(C)Nc1ncccc1F 575579931 352774521 /nfs/dbraw/zinc/77/45/21/352774521.db2.gz ONTFUHBRTGZZNG-GMSGAONNSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@@H](CF)Nc1ncc(F)cc1F 575579930 352774523 /nfs/dbraw/zinc/77/45/23/352774523.db2.gz OMYVJCBNBOGKDP-YFKPBYRVSA-N 0 0 190.168 2.130 10 0 AEAERN Cc1ccc(N[C@@H](C)CF)nc1 575580170 352775699 /nfs/dbraw/zinc/77/56/99/352775699.db2.gz QIYPOGGHHWVFRV-QMMMGPOBSA-N 0 0 168.215 2.160 10 0 AEAERN Cc1ccc(N[C@H](C)CF)nc1 575580168 352775808 /nfs/dbraw/zinc/77/58/08/352775808.db2.gz QIYPOGGHHWVFRV-MRVPVSSYSA-N 0 0 168.215 2.160 10 0 AEAERN Cc1nc([C@H]2C[C@@H]2C)c(N)s1 575580289 352776439 /nfs/dbraw/zinc/77/64/39/352776439.db2.gz AFMYYFQBLWIBOZ-NJGYIYPDSA-N 0 0 168.265 2.157 10 0 AEAERN Cc1cc(C(=O)C(C)(F)F)c(C)[nH]1 575580233 352776537 /nfs/dbraw/zinc/77/65/37/352776537.db2.gz XHSYGTOQHAOWCY-UHFFFAOYSA-N 0 0 187.189 2.469 10 0 AEAERN Cc1nc([C@H]2C[C@H]2C)c(N)s1 575580291 352776579 /nfs/dbraw/zinc/77/65/79/352776579.db2.gz AFMYYFQBLWIBOZ-XINAWCOVSA-N 0 0 168.265 2.157 10 0 AEAERN Cc1nc([C@@H]2C[C@@H]2C)c(N)s1 575580290 352776699 /nfs/dbraw/zinc/77/66/99/352776699.db2.gz AFMYYFQBLWIBOZ-UJURSFKZSA-N 0 0 168.265 2.157 10 0 AEAERN Cc1nc([C@@H]2C[C@H]2C)c(N)s1 575580288 352776702 /nfs/dbraw/zinc/77/67/02/352776702.db2.gz AFMYYFQBLWIBOZ-INEUFUBQSA-N 0 0 168.265 2.157 10 0 AEAERN Cc1ccnc(N[C@H](C)CF)c1 575580422 352777067 /nfs/dbraw/zinc/77/70/67/352777067.db2.gz SUUATOKLVQUGNH-MRVPVSSYSA-N 0 0 168.215 2.160 10 0 AEAERN Cc1cccc(N[C@@H](C)CF)n1 575580460 352777158 /nfs/dbraw/zinc/77/71/58/352777158.db2.gz UOKMHKBNKUOOLZ-QMMMGPOBSA-N 0 0 168.215 2.160 10 0 AEAERN Cc1cccc(N[C@H](C)CF)n1 575580459 352777245 /nfs/dbraw/zinc/77/72/45/352777245.db2.gz UOKMHKBNKUOOLZ-MRVPVSSYSA-N 0 0 168.215 2.160 10 0 AEAERN Cc1ccnc(N[C@@H](C)CF)c1 575580423 352777414 /nfs/dbraw/zinc/77/74/14/352777414.db2.gz SUUATOKLVQUGNH-QMMMGPOBSA-N 0 0 168.215 2.160 10 0 AEAERN C[C@H]1C[C@]1(C)Nc1ccncc1Cl 575580608 352777883 /nfs/dbraw/zinc/77/78/83/352777883.db2.gz VIOVXGAAJVJKFG-XVKPBYJWSA-N 0 0 196.681 2.367 10 0 AEAERN CCc1nc([C@@H]2C[C@@H]2C)c(N)s1 575580583 352777928 /nfs/dbraw/zinc/77/79/28/352777928.db2.gz FBSOAEFXULZENP-NTSWFWBYSA-N 0 0 182.292 2.411 10 0 AEAERN C[C@@H]1C[C@]1(C)Nc1ccncc1Cl 575580607 352777985 /nfs/dbraw/zinc/77/79/85/352777985.db2.gz VIOVXGAAJVJKFG-XCBNKYQSSA-N 0 0 196.681 2.367 10 0 AEAERN C[C@H]1C[C@@]1(C)Nc1ccncc1Cl 575580606 352778049 /nfs/dbraw/zinc/77/80/49/352778049.db2.gz VIOVXGAAJVJKFG-OIBJUYFYSA-N 0 0 196.681 2.367 10 0 AEAERN C[C@@H]1C[C@@]1(C)Nc1ccncc1Cl 575580605 352778103 /nfs/dbraw/zinc/77/81/03/352778103.db2.gz VIOVXGAAJVJKFG-GMSGAONNSA-N 0 0 196.681 2.367 10 0 AEAERN CCc1nc([C@H]2C[C@@H]2C)c(N)s1 575580586 352778281 /nfs/dbraw/zinc/77/82/81/352778281.db2.gz FBSOAEFXULZENP-WDSKDSINSA-N 0 0 182.292 2.411 10 0 AEAERN CCc1nc([C@H]2C[C@H]2C)c(N)s1 575580585 352778316 /nfs/dbraw/zinc/77/83/16/352778316.db2.gz FBSOAEFXULZENP-RITPCOANSA-N 0 0 182.292 2.411 10 0 AEAERN CCc1nc([C@@H]2C[C@H]2C)c(N)s1 575580584 352778388 /nfs/dbraw/zinc/77/83/88/352778388.db2.gz FBSOAEFXULZENP-PHDIDXHHSA-N 0 0 182.292 2.411 10 0 AEAERN CC1(C)C[C@H]1c1ncsc1N 575580727 352778615 /nfs/dbraw/zinc/77/86/15/352778615.db2.gz GEWYUBFREOHSFP-YFKPBYRVSA-N 0 0 168.265 2.239 10 0 AEAERN C[C@@H]1C[C@@]1(C)Nc1ncc(Cl)cn1 575580640 352778643 /nfs/dbraw/zinc/77/86/43/352778643.db2.gz VTKNSUMOMIYAOQ-HZGVNTEJSA-N 0 0 197.669 2.340 10 0 AEAERN C[C@@H]1C[C@]1(C)Nc1ncc(Cl)cn1 575580642 352778727 /nfs/dbraw/zinc/77/87/27/352778727.db2.gz VTKNSUMOMIYAOQ-MUWHJKNJSA-N 0 0 197.669 2.340 10 0 AEAERN C=CC(=O)Nc1cc(N)ccc1Cl 575580659 352778752 /nfs/dbraw/zinc/77/87/52/352778752.db2.gz WHLNLKARAWYFRE-UHFFFAOYSA-N 0 0 196.637 2.047 10 0 AEAERN C[C@H]1C[C@@]1(C)Nc1ncc(Cl)cn1 575580641 352778926 /nfs/dbraw/zinc/77/89/26/352778926.db2.gz VTKNSUMOMIYAOQ-IMTBSYHQSA-N 0 0 197.669 2.340 10 0 AEAERN C[C@H]1C[C@]1(C)Nc1ncc(Cl)cn1 575580643 352778964 /nfs/dbraw/zinc/77/89/64/352778964.db2.gz VTKNSUMOMIYAOQ-RCOVLWMOSA-N 0 0 197.669 2.340 10 0 AEAERN CC1(C)C[C@@H]1c1ncsc1N 575580726 352779038 /nfs/dbraw/zinc/77/90/38/352779038.db2.gz GEWYUBFREOHSFP-RXMQYKEDSA-N 0 0 168.265 2.239 10 0 AEAERN C[C@@H]1C[C@]1(C)Nc1ncncc1Cl 575580899 352779385 /nfs/dbraw/zinc/77/93/85/352779385.db2.gz ZZFFDMZYRXQTBA-MUWHJKNJSA-N 0 0 197.669 2.340 10 0 AEAERN C[C@H]1C[C@]1(C)Nc1ncncc1Cl 575580900 352779434 /nfs/dbraw/zinc/77/94/34/352779434.db2.gz ZZFFDMZYRXQTBA-RCOVLWMOSA-N 0 0 197.669 2.340 10 0 AEAERN C[C@@H]1C[C@@]1(C)Nc1ncncc1Cl 575580897 352779460 /nfs/dbraw/zinc/77/94/60/352779460.db2.gz ZZFFDMZYRXQTBA-HZGVNTEJSA-N 0 0 197.669 2.340 10 0 AEAERN C[C@H]1C[C@@]1(C)Nc1ncncc1Cl 575580898 352779531 /nfs/dbraw/zinc/77/95/31/352779531.db2.gz ZZFFDMZYRXQTBA-IMTBSYHQSA-N 0 0 197.669 2.340 10 0 AEAERN C[C@@H](Nc1ncc(N)s1)C1(C)CC1 575581107 352780497 /nfs/dbraw/zinc/78/04/97/352780497.db2.gz JTRZRBTULNXXPX-ZCFIWIBFSA-N 0 0 197.307 2.326 10 0 AEAERN C[C@H](Nc1ncc(N)s1)C1(C)CC1 575581106 352780726 /nfs/dbraw/zinc/78/07/26/352780726.db2.gz JTRZRBTULNXXPX-LURJTMIESA-N 0 0 197.307 2.326 10 0 AEAERN Cc1nc([C@@H]2CC23CC3)c(N)s1 575581264 352782015 /nfs/dbraw/zinc/78/20/15/352782015.db2.gz NBSBHPXXZJPNCJ-LURJTMIESA-N 0 0 180.276 2.301 10 0 AEAERN CNc1nccnc1[C@@H]1CC1(C)C 575581377 352781736 /nfs/dbraw/zinc/78/17/36/352781736.db2.gz OXINDFYNOLHVEZ-ZETCQYMHSA-N 0 0 177.251 2.032 10 0 AEAERN CNc1nccnc1[C@H]1CC1(C)C 575581376 352781755 /nfs/dbraw/zinc/78/17/55/352781755.db2.gz OXINDFYNOLHVEZ-SSDOTTSWSA-N 0 0 177.251 2.032 10 0 AEAERN Cc1nc([C@H]2CC23CC3)c(N)s1 575581265 352781971 /nfs/dbraw/zinc/78/19/71/352781971.db2.gz NBSBHPXXZJPNCJ-ZCFIWIBFSA-N 0 0 180.276 2.301 10 0 AEAERN S=c1[nH]ccn1[C@@]12CCC[C@@H]1C2 575582237 352786698 /nfs/dbraw/zinc/78/66/98/352786698.db2.gz FITKZKSCHRGYER-VXNVDRBHSA-N 0 0 180.276 2.071 10 0 AEAERN C[C@@H](CF)Nc1cccc(F)c1N 575582191 352786774 /nfs/dbraw/zinc/78/67/74/352786774.db2.gz CLBLKAXXKLVNPR-LURJTMIESA-N 0 0 186.205 2.178 10 0 AEAERN O=C([C@@H]1CCCS1)[C@@H]1CC12CC2 575582164 352786830 /nfs/dbraw/zinc/78/68/30/352786830.db2.gz COTQEYOYFXGZQL-YUMQZZPRSA-N 0 0 182.288 2.251 10 0 AEAERN O=C([C@H]1CC12CC2)[C@H]1CCCS1 575582158 352786885 /nfs/dbraw/zinc/78/68/85/352786885.db2.gz COTQEYOYFXGZQL-HTQZYQBOSA-N 0 0 182.288 2.251 10 0 AEAERN O=C([C@@H]1CCCS1)[C@H]1CC12CC2 575582160 352786892 /nfs/dbraw/zinc/78/68/92/352786892.db2.gz COTQEYOYFXGZQL-SFYZADRCSA-N 0 0 182.288 2.251 10 0 AEAERN O=C([C@H]1CCCS1)[C@@H]1CC12CC2 575582159 352786988 /nfs/dbraw/zinc/78/69/88/352786988.db2.gz COTQEYOYFXGZQL-JGVFFNPUSA-N 0 0 182.288 2.251 10 0 AEAERN S=c1[nH]ccn1[C@]12CCC[C@H]1C2 575582230 352787021 /nfs/dbraw/zinc/78/70/21/352787021.db2.gz FITKZKSCHRGYER-CBAPKCEASA-N 0 0 180.276 2.071 10 0 AEAERN C[C@H](CF)Nc1cccc(F)c1N 575582193 352787113 /nfs/dbraw/zinc/78/71/13/352787113.db2.gz CLBLKAXXKLVNPR-ZCFIWIBFSA-N 0 0 186.205 2.178 10 0 AEAERN Cc1cc(N[C@@H](C)CF)ccc1N 575582370 352787407 /nfs/dbraw/zinc/78/74/07/352787407.db2.gz FHEHMRIJVQZEGR-QMMMGPOBSA-N 0 0 182.242 2.347 10 0 AEAERN Cc1cc(N[C@H](C)CF)ccc1N 575582368 352787418 /nfs/dbraw/zinc/78/74/18/352787418.db2.gz FHEHMRIJVQZEGR-MRVPVSSYSA-N 0 0 182.242 2.347 10 0 AEAERN C[C@H](C1CCC1)C1N=NC(=S)O1 575582408 352788458 /nfs/dbraw/zinc/78/84/58/352788458.db2.gz KKBAULIJVMJEEE-RXMQYKEDSA-N 0 0 184.264 2.262 10 0 AEAERN C[C@@H](C1CCC1)C1N=NC(=S)O1 575582409 352788597 /nfs/dbraw/zinc/78/85/97/352788597.db2.gz KKBAULIJVMJEEE-YFKPBYRVSA-N 0 0 184.264 2.262 10 0 AEAERN Cc1cn(CC(C)(F)F)c(=S)[nH]1 575582642 352789017 /nfs/dbraw/zinc/78/90/17/352789017.db2.gz OLFOITHACBAJGO-UHFFFAOYSA-N 0 0 192.234 2.135 10 0 AEAERN Cc1ccc(N)cc1N[C@@H](C)CF 575582838 352789755 /nfs/dbraw/zinc/78/97/55/352789755.db2.gz IBUYDPCGEAJLJM-QMMMGPOBSA-N 0 0 182.242 2.347 10 0 AEAERN Cc1ccc(N)cc1N[C@H](C)CF 575582837 352790014 /nfs/dbraw/zinc/79/00/14/352790014.db2.gz IBUYDPCGEAJLJM-MRVPVSSYSA-N 0 0 182.242 2.347 10 0 AEAERN Cc1cnc(-c2ccc(=O)[nH]c2)s1 575582959 352790585 /nfs/dbraw/zinc/79/05/85/352790585.db2.gz XEVUZDMCFRZURJ-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN Cn1[nH]c([C@@]2(C)CC2(C)C)nc1=S 575582960 352790599 /nfs/dbraw/zinc/79/05/99/352790599.db2.gz XJQOQTVNCMEQJL-SECBINFHSA-N 0 0 197.307 2.165 10 0 AEAERN O[C@H](c1ccc[nH]1)[C@]12CCC[C@H]1C2 575582995 352790611 /nfs/dbraw/zinc/79/06/11/352790611.db2.gz ZZHULIMAMCKLFV-GDPRMGEGSA-N 0 0 177.247 2.238 10 0 AEAERN C[C@@H]1CCCCc2cc(=O)[nH]nc21 575582962 352790651 /nfs/dbraw/zinc/79/06/51/352790651.db2.gz XMMZQRSWPWZYET-SSDOTTSWSA-N 0 0 178.235 2.012 10 0 AEAERN O[C@H](c1ccc[nH]1)[C@@]12CCC[C@@H]1C2 575582994 352790667 /nfs/dbraw/zinc/79/06/67/352790667.db2.gz ZZHULIMAMCKLFV-FBIMIBRVSA-N 0 0 177.247 2.238 10 0 AEAERN C[C@H]1CCCCc2cc(=O)[nH]nc21 575582963 352790690 /nfs/dbraw/zinc/79/06/90/352790690.db2.gz XMMZQRSWPWZYET-ZETCQYMHSA-N 0 0 178.235 2.012 10 0 AEAERN Cn1[nH]c([C@]2(C)CC2(C)C)nc1=S 575582961 352790878 /nfs/dbraw/zinc/79/08/78/352790878.db2.gz XJQOQTVNCMEQJL-VIFPVBQESA-N 0 0 197.307 2.165 10 0 AEAERN Cc1cccc(N)c1N[C@H](C)CF 575583057 352791235 /nfs/dbraw/zinc/79/12/35/352791235.db2.gz JCWIHOPBJYULJC-MRVPVSSYSA-N 0 0 182.242 2.347 10 0 AEAERN Cc1cccc(N)c1N[C@@H](C)CF 575583058 352791375 /nfs/dbraw/zinc/79/13/75/352791375.db2.gz JCWIHOPBJYULJC-QMMMGPOBSA-N 0 0 182.242 2.347 10 0 AEAERN Cc1c(N)cccc1N[C@@H](C)CF 575583267 352792146 /nfs/dbraw/zinc/79/21/46/352792146.db2.gz LRNKWIMGPDPKGO-ZETCQYMHSA-N 0 0 182.242 2.347 10 0 AEAERN Cc1c(N)cccc1N[C@H](C)CF 575583266 352792184 /nfs/dbraw/zinc/79/21/84/352792184.db2.gz LRNKWIMGPDPKGO-SSDOTTSWSA-N 0 0 182.242 2.347 10 0 AEAERN C[C@H](CF)Nc1ccc(N)cc1F 575583515 352793589 /nfs/dbraw/zinc/79/35/89/352793589.db2.gz NBDYPAFGAMZFET-ZCFIWIBFSA-N 0 0 186.205 2.178 10 0 AEAERN C[C@H]1[C@H](C)CN1c1cccc(N)c1 575583544 352793691 /nfs/dbraw/zinc/79/36/91/352793691.db2.gz NPRLPCSBHSDXFO-BDAKNGLRSA-N 0 0 176.263 2.113 10 0 AEAERN C[C@@H]1CN(c2cccc(N)c2)[C@@H]1C 575583547 352793744 /nfs/dbraw/zinc/79/37/44/352793744.db2.gz NPRLPCSBHSDXFO-RKDXNWHRSA-N 0 0 176.263 2.113 10 0 AEAERN C[C@@H](CF)Nc1ccc(N)cc1F 575583514 352793747 /nfs/dbraw/zinc/79/37/47/352793747.db2.gz NBDYPAFGAMZFET-LURJTMIESA-N 0 0 186.205 2.178 10 0 AEAERN C[C@H]1CN(c2cccc(N)c2)[C@@H]1C 575583545 352793773 /nfs/dbraw/zinc/79/37/73/352793773.db2.gz NPRLPCSBHSDXFO-DTWKUNHWSA-N 0 0 176.263 2.113 10 0 AEAERN C[C@H]1CN(c2cccc(N)c2)[C@H]1C 575583546 352793775 /nfs/dbraw/zinc/79/37/75/352793775.db2.gz NPRLPCSBHSDXFO-IUCAKERBSA-N 0 0 176.263 2.113 10 0 AEAERN Cc1ccc(N[C@H](C)CF)c(N)c1 575583528 352793884 /nfs/dbraw/zinc/79/38/84/352793884.db2.gz NFVAJWVWFPZHPB-MRVPVSSYSA-N 0 0 182.242 2.347 10 0 AEAERN Cc1ccc(N[C@@H](C)CF)c(N)c1 575583529 352793920 /nfs/dbraw/zinc/79/39/20/352793920.db2.gz NFVAJWVWFPZHPB-QMMMGPOBSA-N 0 0 182.242 2.347 10 0 AEAERN Cc1cc(N)ccc1N[C@H](C)CF 575583804 352794196 /nfs/dbraw/zinc/79/41/96/352794196.db2.gz PQPZRPBYHRTXOY-MRVPVSSYSA-N 0 0 182.242 2.347 10 0 AEAERN Cc1cc(N)cc(N[C@H](C)CF)c1 575583830 352794284 /nfs/dbraw/zinc/79/42/84/352794284.db2.gz QHEURCRZUDPDDM-MRVPVSSYSA-N 0 0 182.242 2.347 10 0 AEAERN Cc1cc(N)ccc1N[C@@H](C)CF 575583805 352794287 /nfs/dbraw/zinc/79/42/87/352794287.db2.gz PQPZRPBYHRTXOY-QMMMGPOBSA-N 0 0 182.242 2.347 10 0 AEAERN CC1(C)CC(c2ncc(C=O)o2)C1 575583817 352794379 /nfs/dbraw/zinc/79/43/79/352794379.db2.gz PYMIATNVQCKXRB-UHFFFAOYSA-N 0 0 179.219 2.391 10 0 AEAERN Cc1cc(N)cc(N[C@@H](C)CF)c1 575583831 352794418 /nfs/dbraw/zinc/79/44/18/352794418.db2.gz QHEURCRZUDPDDM-QMMMGPOBSA-N 0 0 182.242 2.347 10 0 AEAERN Cc1ccc(N[C@@H](C)CF)cc1N 575583995 352794972 /nfs/dbraw/zinc/79/49/72/352794972.db2.gz QUORLVYZVZKACL-QMMMGPOBSA-N 0 0 182.242 2.347 10 0 AEAERN Cc1ccc(N[C@H](C)CF)cc1N 575583994 352795369 /nfs/dbraw/zinc/79/53/69/352795369.db2.gz QUORLVYZVZKACL-MRVPVSSYSA-N 0 0 182.242 2.347 10 0 AEAERN C[C@@H](CF)Nc1ccc(F)cc1N 575584372 352796549 /nfs/dbraw/zinc/79/65/49/352796549.db2.gz VIFPIRHJJSEZCK-LURJTMIESA-N 0 0 186.205 2.178 10 0 AEAERN CC1(C)CC(c2cnc(CN)o2)C1 575584353 352796575 /nfs/dbraw/zinc/79/65/75/352796575.db2.gz UXPAETHWYSKSMF-UHFFFAOYSA-N 0 0 180.251 2.037 10 0 AEAERN C[C@H](CF)Nc1ccc(F)cc1N 575584373 352796649 /nfs/dbraw/zinc/79/66/49/352796649.db2.gz VIFPIRHJJSEZCK-ZCFIWIBFSA-N 0 0 186.205 2.178 10 0 AEAERN O=Cc1ccc(N2CC[C@@H]3C[C@@H]32)s1 575584352 352796762 /nfs/dbraw/zinc/79/67/62/352796762.db2.gz PRSNYAJYZXYVIJ-APPZFPTMSA-N 0 0 193.271 2.159 10 0 AEAERN O=C(C1CCSCC1)[C@@H]1CC12CC2 575584407 352796873 /nfs/dbraw/zinc/79/68/73/352796873.db2.gz QCDFPIYMIMHZPS-VIFPVBQESA-N 0 0 196.315 2.499 10 0 AEAERN O=Cc1ccc(N2CC[C@H]3C[C@H]32)s1 575584356 352797015 /nfs/dbraw/zinc/79/70/15/352797015.db2.gz PRSNYAJYZXYVIJ-IONNQARKSA-N 0 0 193.271 2.159 10 0 AEAERN O=C(C1CCSCC1)[C@H]1CC12CC2 575584406 352797018 /nfs/dbraw/zinc/79/70/18/352797018.db2.gz QCDFPIYMIMHZPS-SECBINFHSA-N 0 0 196.315 2.499 10 0 AEAERN CCC[C@@H](O)c1ccc(C)[nH]1 575584453 352797556 /nfs/dbraw/zinc/79/75/56/352797556.db2.gz IHDNEKAAJBXIMV-SECBINFHSA-N 0 0 153.225 2.157 10 0 AEAERN CC1(C)CC(Cn2cc[nH]c2=O)C1 575584452 352797664 /nfs/dbraw/zinc/79/76/64/352797664.db2.gz IFBTUXRYDVOIFP-UHFFFAOYSA-N 0 0 180.251 2.025 10 0 AEAERN Cc1ccc(N)c(N[C@@H](C)CF)c1 575584522 352797671 /nfs/dbraw/zinc/79/76/71/352797671.db2.gz VXLZTXKQIFIQFN-QMMMGPOBSA-N 0 0 182.242 2.347 10 0 AEAERN CCC[C@H](O)c1ccc(C)[nH]1 575584454 352797794 /nfs/dbraw/zinc/79/77/94/352797794.db2.gz IHDNEKAAJBXIMV-VIFPVBQESA-N 0 0 153.225 2.157 10 0 AEAERN Cc1ccc(N)c(N[C@H](C)CF)c1 575584521 352797850 /nfs/dbraw/zinc/79/78/50/352797850.db2.gz VXLZTXKQIFIQFN-MRVPVSSYSA-N 0 0 182.242 2.347 10 0 AEAERN CC[C@@H](C)Cc1nc(Cl)n[nH]1 575584575 352798258 /nfs/dbraw/zinc/79/82/58/352798258.db2.gz QUQNZPHXTKSVIT-RXMQYKEDSA-N 0 0 173.647 2.047 10 0 AEAERN C[C@H](CF)Nc1c(N)cccc1F 575584629 352798265 /nfs/dbraw/zinc/79/82/65/352798265.db2.gz WWKJIDFUTBQVFE-ZCFIWIBFSA-N 0 0 186.205 2.178 10 0 AEAERN CC[C@H](C)Cc1nc(Cl)n[nH]1 575584577 352798343 /nfs/dbraw/zinc/79/83/43/352798343.db2.gz QUQNZPHXTKSVIT-YFKPBYRVSA-N 0 0 173.647 2.047 10 0 AEAERN C[C@@H](CF)Nc1c(N)cccc1F 575584627 352798374 /nfs/dbraw/zinc/79/83/74/352798374.db2.gz WWKJIDFUTBQVFE-LURJTMIESA-N 0 0 186.205 2.178 10 0 AEAERN C[C@H](CF)Nc1cc(F)ccc1N 575584908 352800058 /nfs/dbraw/zinc/80/00/58/352800058.db2.gz YQGNBWIKIHHHHW-ZCFIWIBFSA-N 0 0 186.205 2.178 10 0 AEAERN C[C@@H](CF)Nc1cc(F)ccc1N 575584907 352800317 /nfs/dbraw/zinc/80/03/17/352800317.db2.gz YQGNBWIKIHHHHW-LURJTMIESA-N 0 0 186.205 2.178 10 0 AEAERN CC(C)c1nc(-c2ccns2)n[nH]1 575585246 352800981 /nfs/dbraw/zinc/80/09/81/352800981.db2.gz AGYVHAUMLBRQMG-UHFFFAOYSA-N 0 0 194.263 2.052 10 0 AEAERN Cc1ccc(NC2CSC2)c(N)c1 575585146 352801147 /nfs/dbraw/zinc/80/11/47/352801147.db2.gz BJLCHHKCLNFFJC-UHFFFAOYSA-N 0 0 194.303 2.105 10 0 AEAERN Cc1ccc(N)c(NC2CSC2)c1 575585134 352801183 /nfs/dbraw/zinc/80/11/83/352801183.db2.gz BAWBZLFKASLYLA-UHFFFAOYSA-N 0 0 194.303 2.105 10 0 AEAERN Cc1cn(C[C@H]2CC23CC3)c(=S)[nH]1 575585248 352801187 /nfs/dbraw/zinc/80/11/87/352801187.db2.gz AVBINVFUSNNBSO-MRVPVSSYSA-N 0 0 194.303 2.280 10 0 AEAERN C[C@H](c1nc(=S)n(C)[nH]1)C1CCC1 575585290 352801614 /nfs/dbraw/zinc/80/16/14/352801614.db2.gz JCNFGXSIRSGYRG-LURJTMIESA-N 0 0 197.307 2.381 10 0 AEAERN CCc1c[nH]c(=S)n1[C@]1(C)C[C@H]1C 575585418 352801659 /nfs/dbraw/zinc/80/16/59/352801659.db2.gz YESSRESGVRSWAF-GMSGAONNSA-N 0 0 196.319 2.489 10 0 AEAERN CN1C(=S)N=NC1C1CC(C)(C)C1 575585292 352801720 /nfs/dbraw/zinc/80/17/20/352801720.db2.gz JLBBODHRJOWIJE-UHFFFAOYSA-N 0 0 197.307 2.007 10 0 AEAERN Cc1ncsc1-c1cccc(=O)[nH]1 575585287 352801852 /nfs/dbraw/zinc/80/18/52/352801852.db2.gz HAKAAHHBBZTDTC-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN O[C@H](c1ccc[nH]1)[C@@H]1C[C@@H]2C[C@@H]2C1 575585303 352801867 /nfs/dbraw/zinc/80/18/67/352801867.db2.gz LEBCPGWYYCPGEQ-SJQPAMGKSA-N 0 0 177.247 2.094 10 0 AEAERN CC1(C)CC(c2n[n-]c(=S)o2)C1 575585289 352801892 /nfs/dbraw/zinc/80/18/92/352801892.db2.gz IYDKTCWBRMLZQU-UHFFFAOYSA-N 0 0 184.264 2.262 10 0 AEAERN Cc1c(N)cccc1NC1CSC1 575585271 352801923 /nfs/dbraw/zinc/80/19/23/352801923.db2.gz FAMSNJRCUPGECW-UHFFFAOYSA-N 0 0 194.303 2.105 10 0 AEAERN O[C@@H](c1ccc[nH]1)[C@@H]1C[C@@H]2C[C@@H]2C1 575585306 352801991 /nfs/dbraw/zinc/80/19/91/352801991.db2.gz LEBCPGWYYCPGEQ-UYAYMFIHSA-N 0 0 177.247 2.094 10 0 AEAERN CC(C)c1nc(-c2ccsn2)n[nH]1 575585410 352801997 /nfs/dbraw/zinc/80/19/97/352801997.db2.gz XTQRFRLURIZEHE-UHFFFAOYSA-N 0 0 194.263 2.052 10 0 AEAERN CC1(Nc2ncc(N)s2)CC=CC1 575585257 352802007 /nfs/dbraw/zinc/80/20/07/352802007.db2.gz DQRQBHQGTIIFET-UHFFFAOYSA-N 0 0 195.291 2.246 10 0 AEAERN CCc1c[nH]c(=S)n1[C@]1(C)C[C@@H]1C 575585421 352802012 /nfs/dbraw/zinc/80/20/12/352802012.db2.gz YESSRESGVRSWAF-OIBJUYFYSA-N 0 0 196.319 2.489 10 0 AEAERN C[C@@H](c1nc(=S)n(C)[nH]1)C1CCC1 575585291 352802121 /nfs/dbraw/zinc/80/21/21/352802121.db2.gz JCNFGXSIRSGYRG-ZCFIWIBFSA-N 0 0 197.307 2.381 10 0 AEAERN CCc1c[nH]c(=S)n1[C@@]1(C)C[C@H]1C 575585423 352802462 /nfs/dbraw/zinc/80/24/62/352802462.db2.gz YESSRESGVRSWAF-XCBNKYQSSA-N 0 0 196.319 2.489 10 0 AEAERN C[C@@H]1C[C@@]1(C)CNc1ncc(N)s1 575585478 352802538 /nfs/dbraw/zinc/80/25/38/352802538.db2.gz FNWWSSXTIISYQT-MUWHJKNJSA-N 0 0 197.307 2.183 10 0 AEAERN C[C@H]1C[C@]1(C)CNc1ncc(N)s1 575585477 352802555 /nfs/dbraw/zinc/80/25/55/352802555.db2.gz FNWWSSXTIISYQT-IMTBSYHQSA-N 0 0 197.307 2.183 10 0 AEAERN C[C@@H]1C[C@]1(C)CNc1ncc(N)s1 575585475 352802564 /nfs/dbraw/zinc/80/25/64/352802564.db2.gz FNWWSSXTIISYQT-HZGVNTEJSA-N 0 0 197.307 2.183 10 0 AEAERN O[C@@]1(c2ccc[nH]2)CCCC12CC2 575585428 352802650 /nfs/dbraw/zinc/80/26/50/352802650.db2.gz ZJNKXERVNOBLQZ-LLVKDONJSA-N 0 0 177.247 2.166 10 0 AEAERN O[C@]1(c2ccc[nH]2)CCCC12CC2 575585430 352802664 /nfs/dbraw/zinc/80/26/64/352802664.db2.gz ZJNKXERVNOBLQZ-NSHDSACASA-N 0 0 177.247 2.166 10 0 AEAERN C[C@H]1C[C@@]1(C)CNc1ncc(N)s1 575585479 352802702 /nfs/dbraw/zinc/80/27/02/352802702.db2.gz FNWWSSXTIISYQT-RCOVLWMOSA-N 0 0 197.307 2.183 10 0 AEAERN CCc1c[nH]c(=S)n1[C@@]1(C)C[C@@H]1C 575585425 352802846 /nfs/dbraw/zinc/80/28/46/352802846.db2.gz YESSRESGVRSWAF-XVKPBYJWSA-N 0 0 196.319 2.489 10 0 AEAERN Cc1ccc(N)cc1NC1CSC1 575585494 352802851 /nfs/dbraw/zinc/80/28/51/352802851.db2.gz FZPUASCEKDAIPR-UHFFFAOYSA-N 0 0 194.303 2.105 10 0 AEAERN Cc1cc(NC2CSC2)ccc1N 575585689 352803447 /nfs/dbraw/zinc/80/34/47/352803447.db2.gz KPJGLDBVIOLJBW-UHFFFAOYSA-N 0 0 194.303 2.105 10 0 AEAERN Cc1cccc(NC2CSC2)c1N 575585691 352803801 /nfs/dbraw/zinc/80/38/01/352803801.db2.gz KPSGJHWNITTYMR-UHFFFAOYSA-N 0 0 194.303 2.105 10 0 AEAERN Cn1[nH]c(C2CC(C)(C)C2)nc1=S 575585720 352804090 /nfs/dbraw/zinc/80/40/90/352804090.db2.gz LTDFFCJKJOJXSS-UHFFFAOYSA-N 0 0 197.307 2.381 10 0 AEAERN CC1(C)CCN1c1ccc(C=O)o1 575585821 352804439 /nfs/dbraw/zinc/80/44/39/352804439.db2.gz XTBLDDOMLVUOIS-UHFFFAOYSA-N 0 0 179.219 2.081 10 0 AEAERN Cc1ccc(C2(F)CNC2)c(Cl)c1 575585822 352804510 /nfs/dbraw/zinc/80/45/10/352804510.db2.gz XVMWROGMSLYEMF-UHFFFAOYSA-N 0 0 199.656 2.416 10 0 AEAERN Cc1ccc(NC2CSC2)cc1N 575585714 352804584 /nfs/dbraw/zinc/80/45/84/352804584.db2.gz LNFOATMXDJKFNN-UHFFFAOYSA-N 0 0 194.303 2.105 10 0 AEAERN Cc1cc(N)ccc1NC1CSC1 575585867 352805516 /nfs/dbraw/zinc/80/55/16/352805516.db2.gz OBYTTYNVOHMCAQ-UHFFFAOYSA-N 0 0 194.303 2.105 10 0 AEAERN Cc1cc(N)cc(NC2CSC2)c1 575586025 352806291 /nfs/dbraw/zinc/80/62/91/352806291.db2.gz RNNMMSFEBIWTGJ-UHFFFAOYSA-N 0 0 194.303 2.105 10 0 AEAERN C[C@@H]1CCCC[C@@H]1C(=O)C(C)(C)O 575586257 352806612 /nfs/dbraw/zinc/80/66/12/352806612.db2.gz AQISYVSAPQAXFF-BDAKNGLRSA-N 0 0 184.279 2.153 10 0 AEAERN Cc1cccc(N)c1NC1CSC1 575586144 352806980 /nfs/dbraw/zinc/80/69/80/352806980.db2.gz VCMQRGDJMHBSLM-UHFFFAOYSA-N 0 0 194.303 2.105 10 0 AEAERN C[C@H]1CCCC[C@H]1C(=O)C(C)(C)O 575586260 352807053 /nfs/dbraw/zinc/80/70/53/352807053.db2.gz AQISYVSAPQAXFF-DTWKUNHWSA-N 0 0 184.279 2.153 10 0 AEAERN C[C@H]1CCCC[C@@H]1C(=O)C(C)(C)O 575586262 352807089 /nfs/dbraw/zinc/80/70/89/352807089.db2.gz AQISYVSAPQAXFF-IUCAKERBSA-N 0 0 184.279 2.153 10 0 AEAERN C[C@@H]1CCCC[C@H]1C(=O)C(C)(C)O 575586264 352807091 /nfs/dbraw/zinc/80/70/91/352807091.db2.gz AQISYVSAPQAXFF-RKDXNWHRSA-N 0 0 184.279 2.153 10 0 AEAERN Cc1cc(C)c(C(=O)[C@@H]2C[C@@H]2C)[nH]1 575586475 352807391 /nfs/dbraw/zinc/80/73/91/352807391.db2.gz CGMFKJXVXSZIEM-IMTBSYHQSA-N 0 0 177.247 2.470 10 0 AEAERN Cc1cc(C)c(C(=O)[C@H]2C[C@H]2C)[nH]1 575586476 352807407 /nfs/dbraw/zinc/80/74/07/352807407.db2.gz CGMFKJXVXSZIEM-MUWHJKNJSA-N 0 0 177.247 2.470 10 0 AEAERN C[C@@H](C1CCC1)C1N=NC(=S)N1C 575586386 352807420 /nfs/dbraw/zinc/80/74/20/352807420.db2.gz ZHLHHTULDZUKHC-LURJTMIESA-N 0 0 197.307 2.007 10 0 AEAERN C[C@H](C1CCC1)C1N=NC(=S)N1C 575586387 352807422 /nfs/dbraw/zinc/80/74/22/352807422.db2.gz ZHLHHTULDZUKHC-ZCFIWIBFSA-N 0 0 197.307 2.007 10 0 AEAERN CC1(C)C[C@@]1(C)Nc1ncc(N)s1 575586382 352807464 /nfs/dbraw/zinc/80/74/64/352807464.db2.gz ZBOWFIUYKVTJRU-SECBINFHSA-N 0 0 197.307 2.326 10 0 AEAERN Cc1cc(C)c(C(=O)[C@H]2C[C@@H]2C)[nH]1 575586477 352807475 /nfs/dbraw/zinc/80/74/75/352807475.db2.gz CGMFKJXVXSZIEM-RCOVLWMOSA-N 0 0 177.247 2.470 10 0 AEAERN CC1(C)C[C@]1(C)Nc1ncc(N)s1 575586383 352807561 /nfs/dbraw/zinc/80/75/61/352807561.db2.gz ZBOWFIUYKVTJRU-VIFPVBQESA-N 0 0 197.307 2.326 10 0 AEAERN Cc1cc(C)c(C(=O)[C@@H]2C[C@H]2C)[nH]1 575586474 352807579 /nfs/dbraw/zinc/80/75/79/352807579.db2.gz CGMFKJXVXSZIEM-HZGVNTEJSA-N 0 0 177.247 2.470 10 0 AEAERN C[C@@H]1CCN1c1ccccc1C=O 575586627 352808262 /nfs/dbraw/zinc/80/82/62/352808262.db2.gz BZQBJAGEHQROIZ-SECBINFHSA-N 0 0 175.231 2.098 10 0 AEAERN C[C@H]1CCN1c1ccccc1C=O 575586628 352808264 /nfs/dbraw/zinc/80/82/64/352808264.db2.gz BZQBJAGEHQROIZ-VIFPVBQESA-N 0 0 175.231 2.098 10 0 AEAERN Cc1cc(C)c(C(=O)C(F)F)[nH]1 575586553 352808450 /nfs/dbraw/zinc/80/84/50/352808450.db2.gz FFWMXPPWXLFGSM-UHFFFAOYSA-N 0 0 173.162 2.079 10 0 AEAERN Cc1cc(C)c(C(=O)C2CC2)[nH]1 575586799 352809142 /nfs/dbraw/zinc/80/91/42/352809142.db2.gz HXSNPBOHIUPKOR-UHFFFAOYSA-N 0 0 163.220 2.224 10 0 AEAERN CCNc1ccnc2sncc12 575587003 352809718 /nfs/dbraw/zinc/80/97/18/352809718.db2.gz KRDFOAVBFAUGOL-UHFFFAOYSA-N 0 0 179.248 2.123 10 0 AEAERN C[C@H]1CN(c2ccc(C=O)s2)[C@H]1C 575587194 352810934 /nfs/dbraw/zinc/81/09/34/352810934.db2.gz HSPCJWPREWMELG-YUMQZZPRSA-N 0 0 195.287 2.405 10 0 AEAERN C[C@@H]1CN(c2ccc(C=O)s2)[C@@H]1C 575587181 352810924 /nfs/dbraw/zinc/81/09/24/352810924.db2.gz HSPCJWPREWMELG-HTQZYQBOSA-N 0 0 195.287 2.405 10 0 AEAERN C[C@@H]1CCN1c1csc(C=O)c1 575587170 352810968 /nfs/dbraw/zinc/81/09/68/352810968.db2.gz HDCWFHCCEWZLDG-SSDOTTSWSA-N 0 0 181.260 2.159 10 0 AEAERN O=C1CSC([C@@H]2CC23CC3)=N1 575587218 352811044 /nfs/dbraw/zinc/81/10/44/352811044.db2.gz BIOLBWJFIRXHKI-YFKPBYRVSA-N 0 0 167.233 2.116 10 0 AEAERN C[C@H]1CN(c2ccc(C=O)s2)[C@@H]1C 575587192 352811195 /nfs/dbraw/zinc/81/11/95/352811195.db2.gz HSPCJWPREWMELG-JGVFFNPUSA-N 0 0 195.287 2.405 10 0 AEAERN C[C@H]1CCN1c1csc(C=O)c1 575587171 352811302 /nfs/dbraw/zinc/81/13/02/352811302.db2.gz HDCWFHCCEWZLDG-ZETCQYMHSA-N 0 0 181.260 2.159 10 0 AEAERN O=C1CSC([C@H]2CC23CC3)=N1 575587216 352811403 /nfs/dbraw/zinc/81/14/03/352811403.db2.gz BIOLBWJFIRXHKI-RXMQYKEDSA-N 0 0 167.233 2.116 10 0 AEAERN Cc1nc([C@@H]2CCC[C@H]3C[C@H]32)n[nH]1 575587301 352811711 /nfs/dbraw/zinc/81/17/11/352811711.db2.gz MWIXNSZEJHENKF-DJLDLDEBSA-N 0 0 177.251 2.017 10 0 AEAERN Cc1nc(C2CC3(CCC3)C2)n[nH]1 575587339 352811762 /nfs/dbraw/zinc/81/17/62/352811762.db2.gz VWVRJUSQLLUCFK-UHFFFAOYSA-N 0 0 177.251 2.161 10 0 AEAERN Cc1nc([C@@H]2CCC[C@@H]3C[C@@H]32)n[nH]1 575587303 352811792 /nfs/dbraw/zinc/81/17/92/352811792.db2.gz MWIXNSZEJHENKF-HLTSFMKQSA-N 0 0 177.251 2.017 10 0 AEAERN S=c1[nH]nc([C@H]2CCCC23CC3)[nH]1 575587348 352812040 /nfs/dbraw/zinc/81/20/40/352812040.db2.gz XUKZYLNQPOLPCM-ZCFIWIBFSA-N 0 0 195.291 2.141 10 0 AEAERN Cc1c[nH]c(-c2csc(C)n2)n1 575587331 352812168 /nfs/dbraw/zinc/81/21/68/352812168.db2.gz SCWUFPBRJDKZPB-UHFFFAOYSA-N 0 0 179.248 2.150 10 0 AEAERN S=c1[nH]nc([C@@H]2CCCC23CC3)[nH]1 575587347 352812181 /nfs/dbraw/zinc/81/21/81/352812181.db2.gz XUKZYLNQPOLPCM-LURJTMIESA-N 0 0 195.291 2.141 10 0 AEAERN Cc1ccc(C(=O)C2CCC2)[nH]1 575587467 352812608 /nfs/dbraw/zinc/81/26/08/352812608.db2.gz FMPVUQWYNJYEML-UHFFFAOYSA-N 0 0 163.220 2.306 10 0 AEAERN Cc1ccc(C(=O)[C@H]2CC23CC3)[nH]1 575587470 352812816 /nfs/dbraw/zinc/81/28/16/352812816.db2.gz FMVQDBCJGNEQMI-MRVPVSSYSA-N 0 0 175.231 2.306 10 0 AEAERN Cc1ccc(C(=O)[C@@H]2CC23CC3)[nH]1 575587471 352812886 /nfs/dbraw/zinc/81/28/86/352812886.db2.gz FMVQDBCJGNEQMI-QMMMGPOBSA-N 0 0 175.231 2.306 10 0 AEAERN Cc1ncc(-c2cc(=O)cc[nH]2)s1 575587514 352812925 /nfs/dbraw/zinc/81/29/25/352812925.db2.gz AOUVNZQCWWRKLF-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN Cc1n[nH]c(C)c1[C@@H](O)C(C)(C)C 575587751 352813342 /nfs/dbraw/zinc/81/33/42/352813342.db2.gz LLKDWOYNHJBIJG-SECBINFHSA-N 0 0 182.267 2.106 10 0 AEAERN Cc1ncc(-c2ccc(O)cn2)s1 575587628 352813363 /nfs/dbraw/zinc/81/33/63/352813363.db2.gz FLSMZRDJOOICAZ-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN Cc1ncsc1-c1cncc(O)c1 575587758 352813427 /nfs/dbraw/zinc/81/34/27/352813427.db2.gz LUXGUYFAUZUFMC-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN Cc1ncc(-c2cncc(O)c2)s1 575587761 352813454 /nfs/dbraw/zinc/81/34/54/352813454.db2.gz MHKHBEUGFQYMNE-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN Cc1ncsc1-c1cc(=O)cc[nH]1 575587688 352813697 /nfs/dbraw/zinc/81/36/97/352813697.db2.gz HZWTYLLMOLJVON-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN CCN1C(=S)N=NC1C1CC(C)C1 575587818 352813989 /nfs/dbraw/zinc/81/39/89/352813989.db2.gz CRPUSWROADWYMO-UHFFFAOYSA-N 0 0 197.307 2.100 10 0 AEAERN S=C1N=NC([C@]23CCCC[C@H]2C3)O1 575587896 352815169 /nfs/dbraw/zinc/81/51/69/352815169.db2.gz IOFVIOPGJKOQFG-RCOVLWMOSA-N 0 0 196.275 2.190 10 0 AEAERN S=C1N=NC([C@@]23CCCC[C@@H]2C3)O1 575587891 352815261 /nfs/dbraw/zinc/81/52/61/352815261.db2.gz IOFVIOPGJKOQFG-HZGVNTEJSA-N 0 0 196.275 2.190 10 0 AEAERN Cc1cc([C@H](O)C(C)(F)F)c(C)[nH]1 575588281 352816730 /nfs/dbraw/zinc/81/67/30/352816730.db2.gz IVNNHFZCPROZGX-QMMMGPOBSA-N 0 0 189.205 2.320 10 0 AEAERN Nc1csc2c1C1(CC2)CC1 575588238 352816769 /nfs/dbraw/zinc/81/67/69/352816769.db2.gz ABDLILKVDDVPGE-UHFFFAOYSA-N 0 0 165.261 2.308 10 0 AEAERN CCc1cc(C(C)C)[nH]c(=S)n1 575588224 352816850 /nfs/dbraw/zinc/81/68/50/352816850.db2.gz ATHBNTVJMHHASX-UHFFFAOYSA-N 0 0 182.292 2.451 10 0 AEAERN Cc1ccc([C@H](O)C(C)(F)F)[nH]1 575588217 352816893 /nfs/dbraw/zinc/81/68/93/352816893.db2.gz ACCICGHXGGQLGU-ZETCQYMHSA-N 0 0 175.178 2.012 10 0 AEAERN C[C@@H]1CCN1c1ccc(C=O)s1 575588309 352816940 /nfs/dbraw/zinc/81/69/40/352816940.db2.gz MNFILZMCRYFQOQ-SSDOTTSWSA-N 0 0 181.260 2.159 10 0 AEAERN Cc1cc(C)c([C@H](O)C2(C)CC2)[nH]1 575588285 352816993 /nfs/dbraw/zinc/81/69/93/352816993.db2.gz JQSHWSHNHVOQOD-JTQLQIEISA-N 0 0 179.263 2.465 10 0 AEAERN Cc1cc(C)c([C@@H](O)C2(C)CC2)[nH]1 575588288 352817042 /nfs/dbraw/zinc/81/70/42/352817042.db2.gz JQSHWSHNHVOQOD-SNVBAGLBSA-N 0 0 179.263 2.465 10 0 AEAERN Cc1ccc([C@@H](O)C(C)(F)F)[nH]1 575588208 352817061 /nfs/dbraw/zinc/81/70/61/352817061.db2.gz ACCICGHXGGQLGU-SSDOTTSWSA-N 0 0 175.178 2.012 10 0 AEAERN C[C@H]1CCN1c1ccc(C=O)s1 575588312 352817145 /nfs/dbraw/zinc/81/71/45/352817145.db2.gz MNFILZMCRYFQOQ-ZETCQYMHSA-N 0 0 181.260 2.159 10 0 AEAERN Cc1cc([C@@H](O)C(C)(F)F)c(C)[nH]1 575588277 352817165 /nfs/dbraw/zinc/81/71/65/352817165.db2.gz IVNNHFZCPROZGX-MRVPVSSYSA-N 0 0 189.205 2.320 10 0 AEAERN CC[C@H](C)CC1=NC(=O)CS1 575588394 352817671 /nfs/dbraw/zinc/81/76/71/352817671.db2.gz QYNDBCPBTCOERM-LURJTMIESA-N 0 0 171.265 2.437 10 0 AEAERN CC[C@@H](C)CC1=NC(=O)CS1 575588405 352817722 /nfs/dbraw/zinc/81/77/22/352817722.db2.gz QYNDBCPBTCOERM-ZCFIWIBFSA-N 0 0 171.265 2.437 10 0 AEAERN Cc1nc([C@@H]2C[C@H]2C(C)(C)C)n[nH]1 575588468 352817904 /nfs/dbraw/zinc/81/79/04/352817904.db2.gz XPJXTKLKOYVRFJ-HTQZYQBOSA-N 0 0 179.267 2.263 10 0 AEAERN Cc1ncsc1-c1ccc(O)cn1 575588522 352818279 /nfs/dbraw/zinc/81/82/79/352818279.db2.gz ZPFRPHRUJXHWQJ-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN Cc1nc([C@H]2C[C@H]2C(C)(C)C)n[nH]1 575588498 352818320 /nfs/dbraw/zinc/81/83/20/352818320.db2.gz XPJXTKLKOYVRFJ-JGVFFNPUSA-N 0 0 179.267 2.263 10 0 AEAERN CC1(C)CCN1c1ccccc1N 575588494 352818566 /nfs/dbraw/zinc/81/85/66/352818566.db2.gz BVKYNRQVKGTOLR-UHFFFAOYSA-N 0 0 176.263 2.258 10 0 AEAERN Cc1nc([C@@H]2C[C@@H]2C(C)(C)C)n[nH]1 575588503 352818768 /nfs/dbraw/zinc/81/87/68/352818768.db2.gz XPJXTKLKOYVRFJ-SFYZADRCSA-N 0 0 179.267 2.263 10 0 AEAERN C[C@H]1C[C@]1(C)Nc1ccnc(Cl)n1 575588821 352819231 /nfs/dbraw/zinc/81/92/31/352819231.db2.gz FCRBZWJAGIIPGR-RCOVLWMOSA-N 0 0 197.669 2.340 10 0 AEAERN C[C@@H]1C[C@@]1(C)Nc1ccnc(Cl)n1 575588811 352819306 /nfs/dbraw/zinc/81/93/06/352819306.db2.gz FCRBZWJAGIIPGR-HZGVNTEJSA-N 0 0 197.669 2.340 10 0 AEAERN O=C1CCC(O)(CC2CCC2)CC1 575588702 352819520 /nfs/dbraw/zinc/81/95/20/352819520.db2.gz RVCUXXSMNRFASC-UHFFFAOYSA-N 0 0 182.263 2.051 10 0 AEAERN Cc1cc(C)c(C(=O)C(C)(F)F)[nH]1 575588706 352819590 /nfs/dbraw/zinc/81/95/90/352819590.db2.gz RYVFYEWPSBIHQG-UHFFFAOYSA-N 0 0 187.189 2.469 10 0 AEAERN C[C@H]1C[C@@]1(C)Nc1ccnc(Cl)n1 575588814 352819786 /nfs/dbraw/zinc/81/97/86/352819786.db2.gz FCRBZWJAGIIPGR-IMTBSYHQSA-N 0 0 197.669 2.340 10 0 AEAERN Cc1ccc(C(=O)C2(C)CC2)[nH]1 575588958 352820323 /nfs/dbraw/zinc/82/03/23/352820323.db2.gz LBOLZRQHKUESHE-UHFFFAOYSA-N 0 0 163.220 2.306 10 0 AEAERN Nc1cc([C@H]2CCCC23CC3)no1 575589343 352822086 /nfs/dbraw/zinc/82/20/86/352822086.db2.gz DNCSNGSISOMTJC-SSDOTTSWSA-N 0 0 178.235 2.305 10 0 AEAERN Nc1cc([C@@H]2CCCC23CC3)no1 575589346 352822110 /nfs/dbraw/zinc/82/21/10/352822110.db2.gz DNCSNGSISOMTJC-ZETCQYMHSA-N 0 0 178.235 2.305 10 0 AEAERN CC1(C)CCN1c1cccc(N)c1 575589231 352822331 /nfs/dbraw/zinc/82/23/31/352822331.db2.gz COTSAZMLBHOLRL-UHFFFAOYSA-N 0 0 176.263 2.258 10 0 AEAERN Cc1ccc(C(=O)c2ccoc2)[nH]1 575589659 352823821 /nfs/dbraw/zinc/82/38/21/352823821.db2.gz NJMNPIHROLSSFT-UHFFFAOYSA-N 0 0 175.187 2.147 10 0 AEAERN C[C@@H]1C[C@@]1(C)Nc1cc(Cl)ncn1 575589993 352825118 /nfs/dbraw/zinc/82/51/18/352825118.db2.gz JFAQOSLZYUFBLC-HZGVNTEJSA-N 0 0 197.669 2.340 10 0 AEAERN C[C@H]1C[C@]1(C)Nc1ccnc(F)c1 575589866 352825211 /nfs/dbraw/zinc/82/52/11/352825211.db2.gz HQODLGDFLJUQKI-XVKPBYJWSA-N 0 0 180.226 2.431 10 0 AEAERN Cc1cccc(N2CC[C@H]2C)c1N 575589957 352825266 /nfs/dbraw/zinc/82/52/66/352825266.db2.gz IYXBVIBLOPIVIR-SECBINFHSA-N 0 0 176.263 2.176 10 0 AEAERN C[C@@H]1C[C@@]1(C)Nc1ccnc(F)c1 575589855 352825273 /nfs/dbraw/zinc/82/52/73/352825273.db2.gz HQODLGDFLJUQKI-GMSGAONNSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@@H]1C[C@]1(C)Nc1cc(Cl)ncn1 575590008 352825371 /nfs/dbraw/zinc/82/53/71/352825371.db2.gz JFAQOSLZYUFBLC-MUWHJKNJSA-N 0 0 197.669 2.340 10 0 AEAERN C[C@H]1C[C@]1(C)Nc1cc(Cl)ncn1 575590009 352825381 /nfs/dbraw/zinc/82/53/81/352825381.db2.gz JFAQOSLZYUFBLC-RCOVLWMOSA-N 0 0 197.669 2.340 10 0 AEAERN C[C@H]1C[C@@]1(C)Nc1cc(Cl)ncn1 575590007 352825420 /nfs/dbraw/zinc/82/54/20/352825420.db2.gz JFAQOSLZYUFBLC-IMTBSYHQSA-N 0 0 197.669 2.340 10 0 AEAERN C[C@@H]1C[C@]1(C)Nc1ccnc(F)c1 575589859 352825477 /nfs/dbraw/zinc/82/54/77/352825477.db2.gz HQODLGDFLJUQKI-XCBNKYQSSA-N 0 0 180.226 2.431 10 0 AEAERN Cc1cccc(N2CC[C@@H]2C)c1N 575589959 352825528 /nfs/dbraw/zinc/82/55/28/352825528.db2.gz IYXBVIBLOPIVIR-VIFPVBQESA-N 0 0 176.263 2.176 10 0 AEAERN C[C@H]1C[C@@]1(C)Nc1ccnc(F)c1 575589858 352825635 /nfs/dbraw/zinc/82/56/35/352825635.db2.gz HQODLGDFLJUQKI-OIBJUYFYSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@H]1CCN1c1cccc(F)c1N 575590628 352828584 /nfs/dbraw/zinc/82/85/84/352828584.db2.gz KBJKBUVDANZLQR-ZETCQYMHSA-N 0 0 180.226 2.007 10 0 AEAERN C[C@@H]1CCN1c1cccc(F)c1N 575590624 352828969 /nfs/dbraw/zinc/82/89/69/352828969.db2.gz KBJKBUVDANZLQR-SSDOTTSWSA-N 0 0 180.226 2.007 10 0 AEAERN C[C@@H]1C[C@@]1(C)CNc1cc(N)ns1 575591133 352830327 /nfs/dbraw/zinc/83/03/27/352830327.db2.gz MAFJHIGKZJLRML-MUWHJKNJSA-N 0 0 197.307 2.183 10 0 AEAERN C[C@H]1CN(c2csc(C=O)c2)[C@H]1C 575591059 352830581 /nfs/dbraw/zinc/83/05/81/352830581.db2.gz VEBIYNXJVFEUTG-YUMQZZPRSA-N 0 0 195.287 2.405 10 0 AEAERN C[C@@H]1C[C@]1(C)CNc1cc(N)ns1 575591131 352830700 /nfs/dbraw/zinc/83/07/00/352830700.db2.gz MAFJHIGKZJLRML-HZGVNTEJSA-N 0 0 197.307 2.183 10 0 AEAERN C[C@H]1C[C@]1(C)CNc1cc(N)ns1 575591132 352830722 /nfs/dbraw/zinc/83/07/22/352830722.db2.gz MAFJHIGKZJLRML-IMTBSYHQSA-N 0 0 197.307 2.183 10 0 AEAERN C[C@@H]1CN(c2csc(C=O)c2)[C@@H]1C 575591051 352830763 /nfs/dbraw/zinc/83/07/63/352830763.db2.gz VEBIYNXJVFEUTG-HTQZYQBOSA-N 0 0 195.287 2.405 10 0 AEAERN C[C@H]1[C@H](C)CN1c1csc(C=O)c1 575591058 352830764 /nfs/dbraw/zinc/83/07/64/352830764.db2.gz VEBIYNXJVFEUTG-SFYZADRCSA-N 0 0 195.287 2.405 10 0 AEAERN Cc1ccc(C(=O)[C@@H](C)O)c(Cl)c1 575591275 352831309 /nfs/dbraw/zinc/83/13/09/352831309.db2.gz SPXIZURFVQNCRN-SSDOTTSWSA-N 0 0 198.649 2.212 10 0 AEAERN Cc1cocc1[C@H](N)c1ccns1 575591255 352831313 /nfs/dbraw/zinc/83/13/13/352831313.db2.gz JXTDJZBMOHUNSI-VIFPVBQESA-N 0 0 194.259 2.093 10 0 AEAERN Cc1cocc1[C@@H](N)c1ccns1 575591252 352831331 /nfs/dbraw/zinc/83/13/31/352831331.db2.gz JXTDJZBMOHUNSI-SECBINFHSA-N 0 0 194.259 2.093 10 0 AEAERN Cc1ccc(C(=O)[C@H](C)O)c(Cl)c1 575591276 352831447 /nfs/dbraw/zinc/83/14/47/352831447.db2.gz SPXIZURFVQNCRN-ZETCQYMHSA-N 0 0 198.649 2.212 10 0 AEAERN Cc1cccc(N)c1N1CC[C@H]1C 575591316 352831878 /nfs/dbraw/zinc/83/18/78/352831878.db2.gz OJHDWPJIWOFQOM-SECBINFHSA-N 0 0 176.263 2.176 10 0 AEAERN Cc1cccc(N)c1N1CC[C@@H]1C 575591324 352832003 /nfs/dbraw/zinc/83/20/03/352832003.db2.gz OJHDWPJIWOFQOM-VIFPVBQESA-N 0 0 176.263 2.176 10 0 AEAERN Cc1ccc(C(=O)[C@H]2C[C@@H]2C)[nH]1 575591815 352833594 /nfs/dbraw/zinc/83/35/94/352833594.db2.gz VJYOUOPGHZHNFB-XPUUQOCRSA-N 0 0 163.220 2.162 10 0 AEAERN Cc1ccc(C(=O)[C@@H]2C[C@@H]2C)[nH]1 575591808 352833895 /nfs/dbraw/zinc/83/38/95/352833895.db2.gz VJYOUOPGHZHNFB-POYBYMJQSA-N 0 0 163.220 2.162 10 0 AEAERN Cc1ccc(C(=O)[C@H]2C[C@H]2C)[nH]1 575591812 352833936 /nfs/dbraw/zinc/83/39/36/352833936.db2.gz VJYOUOPGHZHNFB-SVRRBLITSA-N 0 0 163.220 2.162 10 0 AEAERN Cc1ccc(C(=O)C(C)(F)F)[nH]1 575592107 352835577 /nfs/dbraw/zinc/83/55/77/352835577.db2.gz YJCVMYSEAOFKTH-UHFFFAOYSA-N 0 0 173.162 2.161 10 0 AEAERN C[C@@H]1C[C@]1(C)Nc1cccc(F)n1 575592346 352837068 /nfs/dbraw/zinc/83/70/68/352837068.db2.gz UEUXXEQCQJFNDU-XCBNKYQSSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@@H]1C[C@@]1(C)Nc1cccc(F)n1 575592344 352837292 /nfs/dbraw/zinc/83/72/92/352837292.db2.gz UEUXXEQCQJFNDU-GMSGAONNSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@H]1C[C@]1(C)Nc1cccc(F)n1 575592347 352837536 /nfs/dbraw/zinc/83/75/36/352837536.db2.gz UEUXXEQCQJFNDU-XVKPBYJWSA-N 0 0 180.226 2.431 10 0 AEAERN C[C@H]1C[C@@]1(C)Nc1cccc(F)n1 575592345 352837562 /nfs/dbraw/zinc/83/75/62/352837562.db2.gz UEUXXEQCQJFNDU-OIBJUYFYSA-N 0 0 180.226 2.431 10 0 AEAERN O=c1[nH]c2c(s1)[C@H]1CC[C@@H](C2)C1 575592738 352839025 /nfs/dbraw/zinc/83/90/25/352839025.db2.gz JCEZUOLGFNHDFA-RITPCOANSA-N 0 0 181.260 2.289 10 0 AEAERN Cc1c[nH]c(=S)n1[C@@]12CCC[C@@H]1C2 575592940 352839786 /nfs/dbraw/zinc/83/97/86/352839786.db2.gz VDXDTROXKWLOFP-PSASIEDQSA-N 0 0 194.303 2.379 10 0 AEAERN Cc1cn([C@]23CCC[C@H]2C3)c(=S)[nH]1 575592843 352839933 /nfs/dbraw/zinc/83/99/33/352839933.db2.gz PDHUJVBLUGUJBL-WPRPVWTQSA-N 0 0 194.303 2.379 10 0 AEAERN Cc1c[nH]c(=S)n1[C@]12CCC[C@H]1C2 575592948 352840041 /nfs/dbraw/zinc/84/00/41/352840041.db2.gz VDXDTROXKWLOFP-WPRPVWTQSA-N 0 0 194.303 2.379 10 0 AEAERN Cc1cn([C@@]23CCC[C@@H]2C3)c(=S)[nH]1 575592823 352840103 /nfs/dbraw/zinc/84/01/03/352840103.db2.gz PDHUJVBLUGUJBL-PSASIEDQSA-N 0 0 194.303 2.379 10 0 AEAERN Cc1cc(C)c([C@@H](O)C2CCC2)[nH]1 575592968 352840369 /nfs/dbraw/zinc/84/03/69/352840369.db2.gz VOGANWMCIXLNEZ-NSHDSACASA-N 0 0 179.263 2.465 10 0 AEAERN Cc1cc(C)c([C@H](O)C2CCC2)[nH]1 575592967 352840411 /nfs/dbraw/zinc/84/04/11/352840411.db2.gz VOGANWMCIXLNEZ-LLVKDONJSA-N 0 0 179.263 2.465 10 0 AEAERN C[C@@H](NN)c1cc2cscc2s1 575593366 352842705 /nfs/dbraw/zinc/84/27/05/352842705.db2.gz CLQFFJNPAMPSSD-RXMQYKEDSA-N 0 0 198.316 2.487 10 0 AEAERN CC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]2C[C@@H]2C1 575593344 352842709 /nfs/dbraw/zinc/84/27/09/352842709.db2.gz BYLYGYVRVGCWGK-HPENLJRUSA-N 0 0 164.248 2.258 10 0 AEAERN C[C@H](NN)c1cc2cscc2s1 575593367 352842761 /nfs/dbraw/zinc/84/27/61/352842761.db2.gz CLQFFJNPAMPSSD-YFKPBYRVSA-N 0 0 198.316 2.487 10 0 AEAERN CC(=O)[C@@H]1C[C@H]1[C@H]1C[C@@H]2C[C@@H]2C1 575593346 352842793 /nfs/dbraw/zinc/84/27/93/352842793.db2.gz BYLYGYVRVGCWGK-SSRBZLIGSA-N 0 0 164.248 2.258 10 0 AEAERN COc1ccc(C)c(N)c1Cl 575720251 352901197 /nfs/dbraw/zinc/90/11/97/352901197.db2.gz JXBPCVQESSXZCH-UHFFFAOYSA-N 0 0 171.627 2.239 10 0 AEAERN N[C@H]([C@@H]1CC[C@H]2C[C@H]2C1)C(F)(F)F 575593651 352844963 /nfs/dbraw/zinc/84/49/63/352844963.db2.gz LNGZNROAIMJSAW-FKSUSPILSA-N 0 0 193.212 2.312 10 0 AEAERN N[C@H]([C@@H]1CC[C@@H]2C[C@@H]2C1)C(F)(F)F 575593654 352845138 /nfs/dbraw/zinc/84/51/38/352845138.db2.gz LNGZNROAIMJSAW-WCTZXXKLSA-N 0 0 193.212 2.312 10 0 AEAERN O[C@@H]1CC[C@@H]1Nc1cccc(Cl)c1 575594213 352848159 /nfs/dbraw/zinc/84/81/59/352848159.db2.gz DWENPKZECXWRCE-VHSXEESVSA-N 0 0 197.665 2.275 10 0 AEAERN Clc1nnc([C@]23CCC[C@H]2C3)o1 575594481 352849508 /nfs/dbraw/zinc/84/95/08/352849508.db2.gz BQAZEXOVQJGCNE-XNCJUZBTSA-N 0 0 184.626 2.165 10 0 AEAERN FC(F)(F)[C@H]1NCCC[C@H]1C1CC1 575594424 352849569 /nfs/dbraw/zinc/84/95/69/352849569.db2.gz ICFXHORORPEIBO-YUMQZZPRSA-N 0 0 193.212 2.327 10 0 AEAERN Clc1nnc([C@@]23CCC[C@@H]2C3)o1 575594474 352849715 /nfs/dbraw/zinc/84/97/15/352849715.db2.gz BQAZEXOVQJGCNE-SVGQVSJJSA-N 0 0 184.626 2.165 10 0 AEAERN CCc1nc(C2CC2)nc(F)c1C 575594484 352849737 /nfs/dbraw/zinc/84/97/37/352849737.db2.gz BUURWNPWFGRUDR-UHFFFAOYSA-N 0 0 180.226 2.364 10 0 AEAERN FC(F)(F)[C@H]1NCCC[C@@H]1C1CC1 575594423 352849815 /nfs/dbraw/zinc/84/98/15/352849815.db2.gz ICFXHORORPEIBO-SFYZADRCSA-N 0 0 193.212 2.327 10 0 AEAERN Fc1ccnc(-c2ccsc2)n1 575594488 352849846 /nfs/dbraw/zinc/84/98/46/352849846.db2.gz CDKOZJFCIZIWMR-UHFFFAOYSA-N 0 0 180.207 2.344 10 0 AEAERN FC(F)(F)[C@@H]1NCCC[C@H]1C1CC1 575594422 352849880 /nfs/dbraw/zinc/84/98/80/352849880.db2.gz ICFXHORORPEIBO-JGVFFNPUSA-N 0 0 193.212 2.327 10 0 AEAERN FC(F)(F)[C@@H]1NCCC[C@@H]1C1CC1 575594421 352849887 /nfs/dbraw/zinc/84/98/87/352849887.db2.gz ICFXHORORPEIBO-HTQZYQBOSA-N 0 0 193.212 2.327 10 0 AEAERN Clc1nncn1[C@@H]1CCC[C@@H]2C[C@@H]21 575594518 352850099 /nfs/dbraw/zinc/85/00/99/352850099.db2.gz GYNGPSUHQZKIEM-GJMOJQLCSA-N 0 0 197.669 2.293 10 0 AEAERN Clc1nncn1[C@@H]1CCC[C@H]2C[C@H]21 575594519 352850109 /nfs/dbraw/zinc/85/01/09/352850109.db2.gz GYNGPSUHQZKIEM-XLPZGREQSA-N 0 0 197.669 2.293 10 0 AEAERN CC[C@H](C)c1nc(F)cc(F)n1 575594529 352850123 /nfs/dbraw/zinc/85/01/23/352850123.db2.gz IGICVFDNDVWLCF-YFKPBYRVSA-N 0 0 172.178 2.268 10 0 AEAERN Cc1c(F)nc(C(C)C)nc1F 575594522 352850127 /nfs/dbraw/zinc/85/01/27/352850127.db2.gz HQKOVPZKFOLRSX-UHFFFAOYSA-N 0 0 172.178 2.187 10 0 AEAERN CC[C@@H](C)c1nc(F)cc(F)n1 575594528 352850142 /nfs/dbraw/zinc/85/01/42/352850142.db2.gz IGICVFDNDVWLCF-RXMQYKEDSA-N 0 0 172.178 2.268 10 0 AEAERN Cc1nc(C2(C)CC2)nc(F)c1F 575594746 352850787 /nfs/dbraw/zinc/85/07/87/352850787.db2.gz SBQFQRILICLAQJ-UHFFFAOYSA-N 0 0 184.189 2.115 10 0 AEAERN Clc1nncn1[C@@H]1CCCC12CC2 575594712 352850853 /nfs/dbraw/zinc/85/08/53/352850853.db2.gz OZFHNOHUCNVCOH-SSDOTTSWSA-N 0 0 197.669 2.437 10 0 AEAERN Clc1nncn1[C@H]1CCCC12CC2 575594713 352850857 /nfs/dbraw/zinc/85/08/57/352850857.db2.gz OZFHNOHUCNVCOH-ZETCQYMHSA-N 0 0 197.669 2.437 10 0 AEAERN Cc1nc(F)c(C(C)C)c(F)n1 575594862 352851295 /nfs/dbraw/zinc/85/12/95/352851295.db2.gz XUCSLTWMKRNLMC-UHFFFAOYSA-N 0 0 172.178 2.187 10 0 AEAERN CC(C)(C)Cc1nc(F)cc(F)n1 575594852 352851375 /nfs/dbraw/zinc/85/13/75/352851375.db2.gz WKNLGESWYXXQLK-UHFFFAOYSA-N 0 0 186.205 2.343 10 0 AEAERN CC[C@@H]1CCCN[C@@H]1C(F)(F)F 575594945 352851391 /nfs/dbraw/zinc/85/13/91/352851391.db2.gz PNHDTGWIVBSACH-RQJHMYQMSA-N 0 0 181.201 2.327 10 0 AEAERN CCc1c([C@H]2CC23CC3)noc1N 575594950 352851454 /nfs/dbraw/zinc/85/14/54/352851454.db2.gz POHWWRMSIGDTBJ-SSDOTTSWSA-N 0 0 178.235 2.087 10 0 AEAERN CC[C@H]1CCCN[C@@H]1C(F)(F)F 575594942 352851457 /nfs/dbraw/zinc/85/14/57/352851457.db2.gz PNHDTGWIVBSACH-BQBZGAKWSA-N 0 0 181.201 2.327 10 0 AEAERN CC[C@H]1CCCN[C@H]1C(F)(F)F 575594943 352851501 /nfs/dbraw/zinc/85/15/01/352851501.db2.gz PNHDTGWIVBSACH-NKWVEPMBSA-N 0 0 181.201 2.327 10 0 AEAERN Clc1nnc([C@@H]2C[C@@H]3C[C@@H]3C2)o1 575594861 352851520 /nfs/dbraw/zinc/85/15/20/352851520.db2.gz XRFVZDCNKJOGHD-FMCRUOTFSA-N 0 0 184.626 2.237 10 0 AEAERN Cc1cc(F)nc([C@@H]2C[C@H]2C)n1 575594886 352851558 /nfs/dbraw/zinc/85/15/58/352851558.db2.gz ZZPXODPQZIDVPW-IYSWYEEDSA-N 0 0 166.199 2.048 10 0 AEAERN Fc1cc(C2CC2)nc(C2CC2)n1 575594858 352851562 /nfs/dbraw/zinc/85/15/62/352851562.db2.gz XLSSQWATPUOEHQ-UHFFFAOYSA-N 0 0 178.210 2.371 10 0 AEAERN CC[C@@H]1CCCN[C@H]1C(F)(F)F 575594944 352851618 /nfs/dbraw/zinc/85/16/18/352851618.db2.gz PNHDTGWIVBSACH-RNFRBKRXSA-N 0 0 181.201 2.327 10 0 AEAERN CCc1c([C@@H]2CC23CC3)noc1N 575594951 352851641 /nfs/dbraw/zinc/85/16/41/352851641.db2.gz POHWWRMSIGDTBJ-ZETCQYMHSA-N 0 0 178.235 2.087 10 0 AEAERN Cc1cc(F)nc([C@H]2C[C@@H]2C)n1 575594885 352851657 /nfs/dbraw/zinc/85/16/57/352851657.db2.gz ZZPXODPQZIDVPW-FSPLSTOPSA-N 0 0 166.199 2.048 10 0 AEAERN Cc1c(F)nc(C(C)(C)C)nc1F 575594843 352851665 /nfs/dbraw/zinc/85/16/65/352851665.db2.gz VIEDCTOBXWYFQV-UHFFFAOYSA-N 0 0 186.205 2.361 10 0 AEAERN Cc1cc(F)nc([C@H]2C[C@H]2C)n1 575594887 352851685 /nfs/dbraw/zinc/85/16/85/352851685.db2.gz ZZPXODPQZIDVPW-VDTYLAMSSA-N 0 0 166.199 2.048 10 0 AEAERN Fc1cc(F)nc(-c2ccoc2)n1 575594849 352851696 /nfs/dbraw/zinc/85/16/96/352851696.db2.gz VVJLTIBIQRFVAA-UHFFFAOYSA-N 0 0 182.129 2.015 10 0 AEAERN Cc1cc(F)nc([C@@H]2C[C@@H]2C)n1 575594884 352851704 /nfs/dbraw/zinc/85/17/04/352851704.db2.gz ZZPXODPQZIDVPW-CAHLUQPWSA-N 0 0 166.199 2.048 10 0 AEAERN CC(C)(C)c1nc(F)c(F)c(F)n1 575594854 352851707 /nfs/dbraw/zinc/85/17/07/352851707.db2.gz WQTFIQSOQCFYFW-UHFFFAOYSA-N 0 0 190.168 2.191 10 0 AEAERN CC(C)(C)Cc1nccc(F)n1 575594859 352851841 /nfs/dbraw/zinc/85/18/41/352851841.db2.gz XMKVGWKHMIMYGP-UHFFFAOYSA-N 0 0 168.215 2.204 10 0 AEAERN O=C1CCO[C@@]2(CCCC23CC3)C1 575595199 352853338 /nfs/dbraw/zinc/85/33/38/352853338.db2.gz XEYWVZLTVAZKKQ-NSHDSACASA-N 0 0 180.247 2.069 10 0 AEAERN CCC(C)(C)C1(O)CCC(=O)CC1 575595145 352853567 /nfs/dbraw/zinc/85/35/67/352853567.db2.gz WBVZECJHRMJXCS-UHFFFAOYSA-N 0 0 184.279 2.297 10 0 AEAERN O=C1CCO[C@]2(CCCC23CC3)C1 575595198 352853633 /nfs/dbraw/zinc/85/36/33/352853633.db2.gz XEYWVZLTVAZKKQ-LLVKDONJSA-N 0 0 180.247 2.069 10 0 AEAERN CCC(C)(C)[C@]1(O)CCCCC1=O 575595231 352853782 /nfs/dbraw/zinc/85/37/82/352853782.db2.gz YINYOHFCOFCJKB-NSHDSACASA-N 0 0 184.279 2.297 10 0 AEAERN CCC(C)(C)[C@@]1(O)CCCCC1=O 575595230 352854026 /nfs/dbraw/zinc/85/40/26/352854026.db2.gz YINYOHFCOFCJKB-LLVKDONJSA-N 0 0 184.279 2.297 10 0 AEAERN CCC(C)(C)C(=O)C1CSC1 575595281 352854580 /nfs/dbraw/zinc/85/45/80/352854580.db2.gz AIDFTHMYOIZBDD-UHFFFAOYSA-N 0 0 172.293 2.355 10 0 AEAERN Cc1cc(C(C)C)nc(F)n1 575595374 352855250 /nfs/dbraw/zinc/85/52/50/352855250.db2.gz FWONNQQXXHEQSO-UHFFFAOYSA-N 0 0 154.188 2.048 10 0 AEAERN CC(C)(C)c1nc(F)cc(F)n1 575595483 352855405 /nfs/dbraw/zinc/85/54/05/352855405.db2.gz KZAXVDHMPNBRJS-UHFFFAOYSA-N 0 0 172.178 2.052 10 0 AEAERN CCc1nc(C)c(C)nc1Cl 575595536 352855976 /nfs/dbraw/zinc/85/59/76/352855976.db2.gz OHJIQZOYXMOKTC-UHFFFAOYSA-N 0 0 170.643 2.309 10 0 AEAERN CCC(C)(C)C(=O)C(F)F 575595517 352856000 /nfs/dbraw/zinc/85/60/00/352856000.db2.gz MSUBCVFGJBSFCQ-UHFFFAOYSA-N 0 0 150.168 2.257 10 0 AEAERN Cc1cc(SC(C)C)nc(F)n1 575595670 352856042 /nfs/dbraw/zinc/85/60/42/352856042.db2.gz SFXKPTCCESTELH-UHFFFAOYSA-N 0 0 186.255 2.425 10 0 AEAERN CSCCc1nsc(Cl)n1 575595676 352856339 /nfs/dbraw/zinc/85/63/39/352856339.db2.gz SMORHFXLIUUTDU-UHFFFAOYSA-N 0 0 194.712 2.097 10 0 AEAERN CC1(C)CC(Cn2cnnc2Cl)C1 575595549 352856380 /nfs/dbraw/zinc/85/63/80/352856380.db2.gz OUSUMAKVYMOTLA-UHFFFAOYSA-N 0 0 199.685 2.368 10 0 AEAERN CC[C@@H](C)Cc1noc(Cl)n1 575595849 352856601 /nfs/dbraw/zinc/85/66/01/352856601.db2.gz XRWJLEJKSBFKBW-RXMQYKEDSA-N 0 0 174.631 2.312 10 0 AEAERN CCc1cc(F)nc([C@H]2C[C@H]2C)n1 575595780 352856619 /nfs/dbraw/zinc/85/66/19/352856619.db2.gz HBIAIDONGKOJQH-SVRRBLITSA-N 0 0 180.226 2.302 10 0 AEAERN Cc1nc([C@@H]2C[C@@H]2C)nc(F)c1C 575595852 352856631 /nfs/dbraw/zinc/85/66/31/352856631.db2.gz NINOGALAYBBMPK-YLWLKBPMSA-N 0 0 180.226 2.356 10 0 AEAERN Cc1nc([C@H]2C[C@@H]2C)nc(F)c1C 575595850 352856634 /nfs/dbraw/zinc/85/66/34/352856634.db2.gz NINOGALAYBBMPK-XNCJUZBTSA-N 0 0 180.226 2.356 10 0 AEAERN Cc1nc(CC2CC2)nc(F)c1C 575595763 352856654 /nfs/dbraw/zinc/85/66/54/352856654.db2.gz FDLJXUKXJBKMIB-UHFFFAOYSA-N 0 0 180.226 2.185 10 0 AEAERN Cc1nc([C@@H]2C[C@H]2C)nc(F)c1C 575595844 352856657 /nfs/dbraw/zinc/85/66/57/352856657.db2.gz NINOGALAYBBMPK-SVGQVSJJSA-N 0 0 180.226 2.356 10 0 AEAERN C[C@H]1C[C@@]1(C)c1nnc(Cl)o1 575595804 352856749 /nfs/dbraw/zinc/85/67/49/352856749.db2.gz KDLAFMRXSHHSDK-MHTLYPKNSA-N 0 0 172.615 2.021 10 0 AEAERN Cc1nc([C@H]2C[C@H]2C)nc(F)c1C 575595851 352856712 /nfs/dbraw/zinc/85/67/12/352856712.db2.gz NINOGALAYBBMPK-XRGYYRRGSA-N 0 0 180.226 2.356 10 0 AEAERN C[C@@H]1C[C@@]1(C)c1nnc(Cl)o1 575595801 352856774 /nfs/dbraw/zinc/85/67/74/352856774.db2.gz KDLAFMRXSHHSDK-CLZZGJSISA-N 0 0 172.615 2.021 10 0 AEAERN CCc1cc(F)nc([C@@H]2C[C@@H]2C)n1 575595779 352856780 /nfs/dbraw/zinc/85/67/80/352856780.db2.gz HBIAIDONGKOJQH-POYBYMJQSA-N 0 0 180.226 2.302 10 0 AEAERN C[C@@H]1C[C@]1(C)c1nnc(Cl)o1 575595802 352856813 /nfs/dbraw/zinc/85/68/13/352856813.db2.gz KDLAFMRXSHHSDK-FBCQKBJTSA-N 0 0 172.615 2.021 10 0 AEAERN C[C@H]1CCN1c1ccnc(Cl)c1 575595863 352856833 /nfs/dbraw/zinc/85/68/33/352856833.db2.gz NNBMGPYRUYWLTF-ZETCQYMHSA-N 0 0 182.654 2.334 10 0 AEAERN CCc1cc(F)nc([C@H]2C[C@@H]2C)n1 575595781 352856863 /nfs/dbraw/zinc/85/68/63/352856863.db2.gz HBIAIDONGKOJQH-XPUUQOCRSA-N 0 0 180.226 2.302 10 0 AEAERN CCSc1cc(C)nc(F)n1 575595833 352856903 /nfs/dbraw/zinc/85/69/03/352856903.db2.gz WZXPEECLWARVIL-UHFFFAOYSA-N 0 0 172.228 2.036 10 0 AEAERN Clc1cncc(-c2cncs2)n1 575595765 352856931 /nfs/dbraw/zinc/85/69/31/352856931.db2.gz FHUXJQJTOBQZSO-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN CCCSc1cncc(F)n1 575596087 352857436 /nfs/dbraw/zinc/85/74/36/352857436.db2.gz PHMWCOTZCSYVRH-UHFFFAOYSA-N 0 0 172.228 2.118 10 0 AEAERN C[C@@H]1CCN1c1ccnc(Cl)c1 575595858 352856947 /nfs/dbraw/zinc/85/69/47/352856947.db2.gz NNBMGPYRUYWLTF-SSDOTTSWSA-N 0 0 182.654 2.334 10 0 AEAERN CCc1c(F)nc(C(C)C)nc1F 575595764 352856953 /nfs/dbraw/zinc/85/69/53/352856953.db2.gz FENFXMVLZQOWKI-UHFFFAOYSA-N 0 0 186.205 2.441 10 0 AEAERN CCc1cc(F)nc([C@@H]2C[C@H]2C)n1 575595778 352856969 /nfs/dbraw/zinc/85/69/69/352856969.db2.gz HBIAIDONGKOJQH-HTRCEHHLSA-N 0 0 180.226 2.302 10 0 AEAERN C[C@H]1C[C@]1(C)c1nnc(Cl)o1 575595803 352857073 /nfs/dbraw/zinc/85/70/73/352857073.db2.gz KDLAFMRXSHHSDK-FFWSUHOLSA-N 0 0 172.615 2.021 10 0 AEAERN CC[C@H](C)Cc1noc(Cl)n1 575595854 352857077 /nfs/dbraw/zinc/85/70/77/352857077.db2.gz XRWJLEJKSBFKBW-YFKPBYRVSA-N 0 0 174.631 2.312 10 0 AEAERN Cc1nc(F)cc(C(C)(C)C)n1 575595772 352857089 /nfs/dbraw/zinc/85/70/89/352857089.db2.gz GRFKSIMEUONQHJ-UHFFFAOYSA-N 0 0 168.215 2.222 10 0 AEAERN Cc1nnc(Cl)n1CC1CC(C)C1 575595777 352857113 /nfs/dbraw/zinc/85/71/13/352857113.db2.gz GUYCYUIAMVJEEZ-UHFFFAOYSA-N 0 0 199.685 2.286 10 0 AEAERN Cc1c(F)nc(C2CC2)nc1Cl 575596053 352857507 /nfs/dbraw/zinc/85/75/07/352857507.db2.gz FDVQZWXMSFCKTI-UHFFFAOYSA-N 0 0 186.617 2.455 10 0 AEAERN Clc1cc(N2CC[C@H]3C[C@H]32)ccn1 575596132 352857391 /nfs/dbraw/zinc/85/73/91/352857391.db2.gz VNJHORUKPHMPIU-IONNQARKSA-N 0 0 194.665 2.334 10 0 AEAERN CC(C)c1nc(F)c(F)c(F)n1 575595896 352857414 /nfs/dbraw/zinc/85/74/14/352857414.db2.gz BQLKFDYOZFZNOL-UHFFFAOYSA-N 0 0 176.141 2.017 10 0 AEAERN Cc1nc(C2CSC2)nc(F)c1C 575596030 352857423 /nfs/dbraw/zinc/85/74/23/352857423.db2.gz NJUZYKJSDSSGKS-UHFFFAOYSA-N 0 0 198.266 2.063 10 0 AEAERN Clc1cc(N2CC[C@@H]3C[C@@H]32)ccn1 575596129 352857455 /nfs/dbraw/zinc/85/74/55/352857455.db2.gz VNJHORUKPHMPIU-APPZFPTMSA-N 0 0 194.665 2.334 10 0 AEAERN CCc1nc(F)cc(C2CC2)n1 575595905 352857465 /nfs/dbraw/zinc/85/74/65/352857465.db2.gz YVTUYBXHGUJHGS-UHFFFAOYSA-N 0 0 166.199 2.056 10 0 AEAERN Clc1ncc2c(n1)C1(CC2)CC1 575596126 352857471 /nfs/dbraw/zinc/85/74/71/352857471.db2.gz RNRUZYOVBYYQED-UHFFFAOYSA-N 0 0 180.638 2.108 10 0 AEAERN CCCc1nc(F)c(C)c(F)n1 575596011 352857523 /nfs/dbraw/zinc/85/75/23/352857523.db2.gz CUGGDJKWYQKJDG-UHFFFAOYSA-N 0 0 172.178 2.016 10 0 AEAERN Fc1ccnc([C@@H]2CCCS2)n1 575596036 352857567 /nfs/dbraw/zinc/85/75/67/352857567.db2.gz DXZHIQSDSDFRQG-LURJTMIESA-N 0 0 184.239 2.184 10 0 AEAERN CC(C)Sc1ccnc(F)n1 575595869 352857611 /nfs/dbraw/zinc/85/76/11/352857611.db2.gz NWPNWXZYWPEMFB-UHFFFAOYSA-N 0 0 172.228 2.116 10 0 AEAERN Fc1ccnc([C@H]2CCCS2)n1 575596048 352857615 /nfs/dbraw/zinc/85/76/15/352857615.db2.gz DXZHIQSDSDFRQG-ZCFIWIBFSA-N 0 0 184.239 2.184 10 0 AEAERN CC(C)Cc1nc(F)c(F)c(F)n1 575595964 352857649 /nfs/dbraw/zinc/85/76/49/352857649.db2.gz BIQMAPGPEGIWLV-UHFFFAOYSA-N 0 0 190.168 2.092 10 0 AEAERN Cc1nnc(Cl)n1C1(C2CC2)CC1 575595942 352857682 /nfs/dbraw/zinc/85/76/82/352857682.db2.gz FGACYZCMQSTLHG-UHFFFAOYSA-N 0 0 197.669 2.139 10 0 AEAERN C=Cc1cc(CC)nc(Cl)n1 575596089 352857760 /nfs/dbraw/zinc/85/77/60/352857760.db2.gz PROGDGRTSGBAPJ-UHFFFAOYSA-N 0 0 168.627 2.335 10 0 AEAERN CCc1nc(F)c(C(C)C)c(F)n1 575596125 352857782 /nfs/dbraw/zinc/85/77/82/352857782.db2.gz RAWGILZFEAIMPQ-UHFFFAOYSA-N 0 0 186.205 2.441 10 0 AEAERN Clc1nncn1C1CC2(CCC2)C1 575596168 352858136 /nfs/dbraw/zinc/85/81/36/352858136.db2.gz SZQFYUCKZRRKIV-UHFFFAOYSA-N 0 0 197.669 2.437 10 0 AEAERN Cc1nc([C@@H]2C[C@H]2C)nc(F)c1F 575596634 352858670 /nfs/dbraw/zinc/85/86/70/352858670.db2.gz WPVVTUDTFHFJGB-INEUFUBQSA-N 0 0 184.189 2.187 10 0 AEAERN CCc1nnc(Cl)c(C)c1C 575596181 352858150 /nfs/dbraw/zinc/85/81/50/352858150.db2.gz UVXXWGHRDFJIJL-UHFFFAOYSA-N 0 0 170.643 2.309 10 0 AEAERN CC1CN(Cc2cc(Cl)ccn2)C1 575596160 352858159 /nfs/dbraw/zinc/85/81/59/352858159.db2.gz WVOKVTDOULAREV-UHFFFAOYSA-N 0 0 196.681 2.187 10 0 AEAERN Cc1nnc(Cl)n1[C@]1(C)CC1(C)C 575596162 352858164 /nfs/dbraw/zinc/85/81/64/352858164.db2.gz XCAXLQQEQILNEU-SECBINFHSA-N 0 0 199.685 2.385 10 0 AEAERN Cc1nnc(Cl)n1[C@@]1(C)CC1(C)C 575596169 352858165 /nfs/dbraw/zinc/85/81/65/352858165.db2.gz XCAXLQQEQILNEU-VIFPVBQESA-N 0 0 199.685 2.385 10 0 AEAERN Cc1cc(F)nc(-c2ccoc2)n1 575596202 352858195 /nfs/dbraw/zinc/85/81/95/352858195.db2.gz YVRMDYZQIFQOTI-UHFFFAOYSA-N 0 0 178.166 2.184 10 0 AEAERN CCc1c(C)nc(C2CC2)nc1F 575596844 352858427 /nfs/dbraw/zinc/85/84/27/352858427.db2.gz LKSQEQVVADYAGZ-UHFFFAOYSA-N 0 0 180.226 2.364 10 0 AEAERN Cc1cc(F)nc(CC2CCC2)n1 575596675 352858442 /nfs/dbraw/zinc/85/84/42/352858442.db2.gz XKSQWPPGIIQARC-UHFFFAOYSA-N 0 0 180.226 2.267 10 0 AEAERN CC1(C)C[C@]1(C)c1noc(Cl)n1 575596689 352858467 /nfs/dbraw/zinc/85/84/67/352858467.db2.gz YROVFCQAENYEET-MRVPVSSYSA-N 0 0 186.642 2.411 10 0 AEAERN Cc1cc(F)nc([C@@H]2CC23CC3)n1 575596692 352858470 /nfs/dbraw/zinc/85/84/70/352858470.db2.gz CWZHNSWMGZAYQI-ZETCQYMHSA-N 0 0 178.210 2.192 10 0 AEAERN COc1ccc2ccnc(F)c2c1 575596773 352858475 /nfs/dbraw/zinc/85/84/75/352858475.db2.gz DNRNIPMVOLBNMA-UHFFFAOYSA-N 0 0 177.178 2.383 10 0 AEAERN Cc1nc(C(C)C)nc(F)c1F 575596785 352858479 /nfs/dbraw/zinc/85/84/79/352858479.db2.gz DZXOTDOYZWNBMH-UHFFFAOYSA-N 0 0 172.178 2.187 10 0 AEAERN CCc1cc(F)nc(C(C)(C)C)n1 575596836 352858505 /nfs/dbraw/zinc/85/85/05/352858505.db2.gz IHNCEDKJODIEEL-UHFFFAOYSA-N 0 0 182.242 2.476 10 0 AEAERN Cc1nc(C(C)C)nc(F)c1C 575596827 352858525 /nfs/dbraw/zinc/85/85/25/352858525.db2.gz HHOKEUNYZMAYPF-UHFFFAOYSA-N 0 0 168.215 2.356 10 0 AEAERN CC(C)Oc1nc(F)ncc1Cl 575596894 352858552 /nfs/dbraw/zinc/85/85/52/352858552.db2.gz LVBZKIHPYCXPES-UHFFFAOYSA-N 0 0 190.605 2.056 10 0 AEAERN Cc1nc([C@H]2C[C@@H]2C)nc(F)c1F 575596635 352858586 /nfs/dbraw/zinc/85/85/86/352858586.db2.gz WPVVTUDTFHFJGB-NJGYIYPDSA-N 0 0 184.189 2.187 10 0 AEAERN C[C@]1(c2nccc(F)n2)CCCS1 575596727 352858591 /nfs/dbraw/zinc/85/85/91/352858591.db2.gz YUJHBEYWDZZNCB-SECBINFHSA-N 0 0 198.266 2.358 10 0 AEAERN Cc1nc(CC2CC2)nc(F)c1F 575596629 352858644 /nfs/dbraw/zinc/85/86/44/352858644.db2.gz VZCSXRAHKBJDQC-UHFFFAOYSA-N 0 0 184.189 2.016 10 0 AEAERN Fc1cc(F)nc([C@@H]2CC23CC3)n1 575596896 352858666 /nfs/dbraw/zinc/85/86/66/352858666.db2.gz LXAISEWAPZFIOU-YFKPBYRVSA-N 0 0 182.173 2.022 10 0 AEAERN CC1(C)C[C@@]1(C)c1noc(Cl)n1 575596726 352858677 /nfs/dbraw/zinc/85/86/77/352858677.db2.gz YROVFCQAENYEET-QMMMGPOBSA-N 0 0 186.642 2.411 10 0 AEAERN Cc1cc(F)nc([C@H]2CC23CC3)n1 575596691 352858689 /nfs/dbraw/zinc/85/86/89/352858689.db2.gz CWZHNSWMGZAYQI-SSDOTTSWSA-N 0 0 178.210 2.192 10 0 AEAERN Fc1cc(F)nc([C@H]2CC23CC3)n1 575596895 352858700 /nfs/dbraw/zinc/85/87/00/352858700.db2.gz LXAISEWAPZFIOU-RXMQYKEDSA-N 0 0 182.173 2.022 10 0 AEAERN Clc1nsc([C@H]2CC23CC3)n1 575596587 352858703 /nfs/dbraw/zinc/85/87/03/352858703.db2.gz BCRVTZQINZHSHK-SCSAIBSYSA-N 0 0 186.667 2.459 10 0 AEAERN Cc1nc([C@H]2C[C@H]2C)nc(F)c1F 575596637 352858743 /nfs/dbraw/zinc/85/87/43/352858743.db2.gz WPVVTUDTFHFJGB-XINAWCOVSA-N 0 0 184.189 2.187 10 0 AEAERN Cc1cc(C)c2ncnc(F)c2c1 575596779 352858756 /nfs/dbraw/zinc/85/87/56/352858756.db2.gz DQAVHECQGUWDHZ-UHFFFAOYSA-N 0 0 176.194 2.386 10 0 AEAERN C[C@@]1(c2nccc(F)n2)CCCS1 575596731 352858761 /nfs/dbraw/zinc/85/87/61/352858761.db2.gz YUJHBEYWDZZNCB-VIFPVBQESA-N 0 0 198.266 2.358 10 0 AEAERN COc1cc(C2CC2)nc(Cl)n1 575596598 352858768 /nfs/dbraw/zinc/85/87/68/352858768.db2.gz PTFVYGYQZSGXBO-UHFFFAOYSA-N 0 0 184.626 2.016 10 0 AEAERN Cc1nc([C@@H]2C[C@@H]2C)nc(F)c1F 575596636 352858792 /nfs/dbraw/zinc/85/87/92/352858792.db2.gz WPVVTUDTFHFJGB-UJURSFKZSA-N 0 0 184.189 2.187 10 0 AEAERN Cc1nc(F)c2ccccc2n1 575596889 352858815 /nfs/dbraw/zinc/85/88/15/352858815.db2.gz OTBCVNQZVZGJJP-UHFFFAOYSA-N 0 0 162.167 2.077 10 0 AEAERN CC[C@H](C)c1nc(C)cc(F)n1 575597105 352859099 /nfs/dbraw/zinc/85/90/99/352859099.db2.gz QIWPQQBKAWIIHY-LURJTMIESA-N 0 0 168.215 2.438 10 0 AEAERN CC(C)C1(c2nnc(Cl)o2)CC1 575597118 352859105 /nfs/dbraw/zinc/85/91/05/352859105.db2.gz JNYKBZSQDKJPAS-UHFFFAOYSA-N 0 0 186.642 2.411 10 0 AEAERN CC1(C)C[C@@]1(C)c1nc(Cl)no1 575597061 352859106 /nfs/dbraw/zinc/85/91/06/352859106.db2.gz YKVYGYXYDWPYIE-QMMMGPOBSA-N 0 0 186.642 2.411 10 0 AEAERN C[C@H]1C[C@@]1(C)c1nnc(Cl)s1 575597000 352859109 /nfs/dbraw/zinc/85/91/09/352859109.db2.gz VMYITIWPGGKSSA-MHTLYPKNSA-N 0 0 188.683 2.489 10 0 AEAERN Clc1nncn1[C@]12CCCC[C@H]1C2 575597055 352859111 /nfs/dbraw/zinc/85/91/11/352859111.db2.gz FBZLETAKSGOMQT-CBAPKCEASA-N 0 0 197.669 2.221 10 0 AEAERN CC1CN(c2cccc(Cl)n2)C1 575597108 352859118 /nfs/dbraw/zinc/85/91/18/352859118.db2.gz OHTYUAYWGVHCGT-UHFFFAOYSA-N 0 0 182.654 2.191 10 0 AEAERN Fc1ccc(F)c2c(F)ncnc12 575597013 352859125 /nfs/dbraw/zinc/85/91/25/352859125.db2.gz BMXYZAWIMLGHOA-UHFFFAOYSA-N 0 0 184.120 2.047 10 0 AEAERN Clc1nccnc1[C@H]1CC12CC2 575596930 352859131 /nfs/dbraw/zinc/85/91/31/352859131.db2.gz AYOBKBMZQLSKGG-ZCFIWIBFSA-N 0 0 180.638 2.398 10 0 AEAERN CSC(C)(C)c1nccc(F)n1 575597126 352859132 /nfs/dbraw/zinc/85/91/32/352859132.db2.gz PBIKXLAHPJQQOA-UHFFFAOYSA-N 0 0 186.255 2.214 10 0 AEAERN Cc1nc(F)c2c(C)cccc2n1 575597137 352859137 /nfs/dbraw/zinc/85/91/37/352859137.db2.gz QLXSEXFRYJUGRS-UHFFFAOYSA-N 0 0 176.194 2.386 10 0 AEAERN CC1(C)C[C@]1(C)c1nc(Cl)no1 575597059 352859140 /nfs/dbraw/zinc/85/91/40/352859140.db2.gz YKVYGYXYDWPYIE-MRVPVSSYSA-N 0 0 186.642 2.411 10 0 AEAERN COc1c(C)nc(C(C)C)nc1F 575597145 352859145 /nfs/dbraw/zinc/85/91/45/352859145.db2.gz PTSZPDHEFZGICT-UHFFFAOYSA-N 0 0 184.214 2.056 10 0 AEAERN Cc1cc(F)c2ncnc(F)c2c1 575597143 352859147 /nfs/dbraw/zinc/85/91/47/352859147.db2.gz RSOBPLYEMBLDSO-UHFFFAOYSA-N 0 0 180.157 2.216 10 0 AEAERN C[C@@H]1C[C@]1(C)c1nnc(Cl)s1 575596998 352859166 /nfs/dbraw/zinc/85/91/66/352859166.db2.gz VMYITIWPGGKSSA-FBCQKBJTSA-N 0 0 188.683 2.489 10 0 AEAERN C[C@@H]1CCN1Cc1ccnc(Cl)c1 575597080 352859168 /nfs/dbraw/zinc/85/91/68/352859168.db2.gz ZYJSSGIBHMAUCL-MRVPVSSYSA-N 0 0 196.681 2.329 10 0 AEAERN Fc1cc(F)nc(C2CCC2)n1 575596953 352859176 /nfs/dbraw/zinc/85/91/76/352859176.db2.gz FLODIIMBGHNOPQ-UHFFFAOYSA-N 0 0 170.162 2.022 10 0 AEAERN Clc1nccnc1[C@@H]1CC12CC2 575596929 352859178 /nfs/dbraw/zinc/85/91/78/352859178.db2.gz AYOBKBMZQLSKGG-LURJTMIESA-N 0 0 180.638 2.398 10 0 AEAERN C[C@H]1CCN1Cc1ccnc(Cl)c1 575597084 352859182 /nfs/dbraw/zinc/85/91/82/352859182.db2.gz ZYJSSGIBHMAUCL-QMMMGPOBSA-N 0 0 196.681 2.329 10 0 AEAERN C[C@H]1C[C@]1(C)c1nnc(Cl)s1 575596999 352859192 /nfs/dbraw/zinc/85/91/92/352859192.db2.gz VMYITIWPGGKSSA-FFWSUHOLSA-N 0 0 188.683 2.489 10 0 AEAERN Cc1nc(C(C)(C)C)nc(F)c1F 575597005 352859218 /nfs/dbraw/zinc/85/92/18/352859218.db2.gz JONXNCBGTWETRQ-UHFFFAOYSA-N 0 0 186.205 2.361 10 0 AEAERN Cc1ncnc(F)c1C(C)C 575597081 352859221 /nfs/dbraw/zinc/85/92/21/352859221.db2.gz IPIIGIZZKXFGLC-UHFFFAOYSA-N 0 0 154.188 2.048 10 0 AEAERN Clc1nncn1[C@@]12CCCC[C@@H]1C2 575597060 352859227 /nfs/dbraw/zinc/85/92/27/352859227.db2.gz FBZLETAKSGOMQT-VXNVDRBHSA-N 0 0 197.669 2.221 10 0 AEAERN Cc1cc(-c2nccc(F)n2)sn1 575597142 352859239 /nfs/dbraw/zinc/85/92/39/352859239.db2.gz RRJMHPXWZDIRNC-UHFFFAOYSA-N 0 0 195.222 2.048 10 0 AEAERN Cc1cnc(F)nc1OC(C)(C)C 575597090 352859247 /nfs/dbraw/zinc/85/92/47/352859247.db2.gz NMOQLSATXBDWHH-UHFFFAOYSA-N 0 0 184.214 2.101 10 0 AEAERN C[C@@H]1C[C@@]1(C)c1nnc(Cl)s1 575596996 352859249 /nfs/dbraw/zinc/85/92/49/352859249.db2.gz VMYITIWPGGKSSA-CLZZGJSISA-N 0 0 188.683 2.489 10 0 AEAERN Fc1cc(F)nc(CC2CCC2)n1 575596952 352859263 /nfs/dbraw/zinc/85/92/63/352859263.db2.gz FJIWOCALBYGGDD-UHFFFAOYSA-N 0 0 184.189 2.097 10 0 AEAERN Cc1nnc(Cl)n1C[C@H]1CC12CC2 575597112 352859274 /nfs/dbraw/zinc/85/92/74/352859274.db2.gz JLJCNOQVMIDBTP-SSDOTTSWSA-N 0 0 197.669 2.040 10 0 AEAERN Fc1cc(F)c2ncnc(F)c2c1 575597006 352859286 /nfs/dbraw/zinc/85/92/86/352859286.db2.gz BLWFVXWYFFMRDP-UHFFFAOYSA-N 0 0 184.120 2.047 10 0 AEAERN CC(C)Sc1cncc(F)n1 575597119 352859288 /nfs/dbraw/zinc/85/92/88/352859288.db2.gz JRSJSMPGHZVWGL-UHFFFAOYSA-N 0 0 172.228 2.116 10 0 AEAERN Fc1cc(F)nc(-c2ccsc2)n1 575596990 352859298 /nfs/dbraw/zinc/85/92/98/352859298.db2.gz UZHIUZFCGCOPJE-UHFFFAOYSA-N 0 0 198.197 2.483 10 0 AEAERN Cc1nnc(Cl)n1C[C@@H]1CC12CC2 575597117 352859306 /nfs/dbraw/zinc/85/93/06/352859306.db2.gz JLJCNOQVMIDBTP-ZETCQYMHSA-N 0 0 197.669 2.040 10 0 AEAERN Cc1ccc2nc(C)nc(F)c2c1 575597169 352859314 /nfs/dbraw/zinc/85/93/14/352859314.db2.gz QHAZIZIJWMFQCK-UHFFFAOYSA-N 0 0 176.194 2.386 10 0 AEAERN CC[C@@H](C)c1nc(C)cc(F)n1 575597136 352859316 /nfs/dbraw/zinc/85/93/16/352859316.db2.gz QIWPQQBKAWIIHY-ZCFIWIBFSA-N 0 0 168.215 2.438 10 0 AEAERN Cc1nc(F)cc(C(C)C)n1 575596988 352859326 /nfs/dbraw/zinc/85/93/26/352859326.db2.gz UMVXRFGGTIOKOS-UHFFFAOYSA-N 0 0 154.188 2.048 10 0 AEAERN Cc1c(F)nc(C2(C)CC2)nc1F 575596915 352859330 /nfs/dbraw/zinc/85/93/30/352859330.db2.gz NEWRBPHEFPEHMM-UHFFFAOYSA-N 0 0 184.189 2.115 10 0 AEAERN Cc1ccc(F)c2c(F)ncnc12 575597101 352859338 /nfs/dbraw/zinc/85/93/38/352859338.db2.gz PJQRAHRKCZZMBS-UHFFFAOYSA-N 0 0 180.157 2.216 10 0 AEAERN CC1CN(c2nc(Cl)cs2)C1 575597239 352859739 /nfs/dbraw/zinc/85/97/39/352859739.db2.gz UXPRYKQBUIFIGP-UHFFFAOYSA-N 0 0 188.683 2.253 10 0 AEAERN Clc1noc([C@@H]2C[C@@H]2C2CC2)n1 575597223 352859741 /nfs/dbraw/zinc/85/97/41/352859741.db2.gz TTYRRHIOZOFAFS-PHDIDXHHSA-N 0 0 184.626 2.237 10 0 AEAERN Clc1cc2c(nn1)C1(CC2)CC1 575597520 352859749 /nfs/dbraw/zinc/85/97/49/352859749.db2.gz NWGUHQYSAUUKEJ-UHFFFAOYSA-N 0 0 180.638 2.108 10 0 AEAERN Clc1nnc([C@H]2CC23CC3)s1 575597213 352859761 /nfs/dbraw/zinc/85/97/61/352859761.db2.gz RJNOKEHZOJQTQH-SCSAIBSYSA-N 0 0 186.667 2.459 10 0 AEAERN Fc1cc(F)nc(C2CCCC2)n1 575597314 352859767 /nfs/dbraw/zinc/85/97/67/352859767.db2.gz ZQMOXWZDADSSLB-UHFFFAOYSA-N 0 0 184.189 2.412 10 0 AEAERN Clc1noc([C@H]2C[C@H]2C2CC2)n1 575597229 352859775 /nfs/dbraw/zinc/85/97/75/352859775.db2.gz TTYRRHIOZOFAFS-WDSKDSINSA-N 0 0 184.626 2.237 10 0 AEAERN Fc1ccnc(C2CCCC2)n1 575597263 352859778 /nfs/dbraw/zinc/85/97/78/352859778.db2.gz YGNLWTKSJWCKAC-UHFFFAOYSA-N 0 0 166.199 2.273 10 0 AEAERN Cc1nnc(Cl)n1C[C@@]1(C)C[C@@H]1C 575597474 352859795 /nfs/dbraw/zinc/85/97/95/352859795.db2.gz MBOFYOYBGREBOK-IMTBSYHQSA-N 0 0 199.685 2.286 10 0 AEAERN Cc1cc(F)nc([C@@H]2CC2(C)C)n1 575597191 352859814 /nfs/dbraw/zinc/85/98/14/352859814.db2.gz VBAZRDNUEWUSEV-ZETCQYMHSA-N 0 0 180.226 2.438 10 0 AEAERN Cc1nnc(Cl)n1C[C@@]1(C)C[C@H]1C 575597473 352859821 /nfs/dbraw/zinc/85/98/21/352859821.db2.gz MBOFYOYBGREBOK-HZGVNTEJSA-N 0 0 199.685 2.286 10 0 AEAERN CC1CN(Cc2cccc(Cl)n2)C1 575597466 352859843 /nfs/dbraw/zinc/85/98/43/352859843.db2.gz IAZGJIKDIUPMHZ-UHFFFAOYSA-N 0 0 196.681 2.187 10 0 AEAERN Clc1nnc([C@@H]2CC23CC3)s1 575597212 352859850 /nfs/dbraw/zinc/85/98/50/352859850.db2.gz RJNOKEHZOJQTQH-BYPYZUCNSA-N 0 0 186.667 2.459 10 0 AEAERN CCc1cc(F)nc(C2CSC2)n1 575597389 352859858 /nfs/dbraw/zinc/85/98/58/352859858.db2.gz DNGQGBUOCRWFON-UHFFFAOYSA-N 0 0 198.266 2.009 10 0 AEAERN Cc1nnc(Cl)n1C[C@]1(C)C[C@H]1C 575597475 352859862 /nfs/dbraw/zinc/85/98/62/352859862.db2.gz MBOFYOYBGREBOK-MUWHJKNJSA-N 0 0 199.685 2.286 10 0 AEAERN CC(C)(c1nc(Cl)no1)C(F)F 575597544 352859870 /nfs/dbraw/zinc/85/98/70/352859870.db2.gz BNXREBBUACXABW-UHFFFAOYSA-N 0 0 196.584 2.266 10 0 AEAERN Cc1nnc(Cl)n1C[C@]1(C)C[C@@H]1C 575597476 352859872 /nfs/dbraw/zinc/85/98/72/352859872.db2.gz MBOFYOYBGREBOK-RCOVLWMOSA-N 0 0 199.685 2.286 10 0 AEAERN Cc1cc(F)nc([C@H]2CC2(C)C)n1 575597190 352859886 /nfs/dbraw/zinc/85/98/86/352859886.db2.gz VBAZRDNUEWUSEV-SSDOTTSWSA-N 0 0 180.226 2.438 10 0 AEAERN CC[C@@H](C)c1nccc(F)n1 575597453 352859925 /nfs/dbraw/zinc/85/99/25/352859925.db2.gz JXPZUUYIPANICM-ZCFIWIBFSA-N 0 0 154.188 2.129 10 0 AEAERN CCc1nc(F)cc(C(C)(C)C)n1 575597205 352859927 /nfs/dbraw/zinc/85/99/27/352859927.db2.gz QYVHAKVUZDCIHS-UHFFFAOYSA-N 0 0 182.242 2.476 10 0 AEAERN Clc1noc([C@@H]2C[C@H]2C2CC2)n1 575597221 352859943 /nfs/dbraw/zinc/85/99/43/352859943.db2.gz TTYRRHIOZOFAFS-NTSWFWBYSA-N 0 0 184.626 2.237 10 0 AEAERN Cc1ncc(-c2cnc(F)nc2)s1 575597409 352859945 /nfs/dbraw/zinc/85/99/45/352859945.db2.gz HKMIEDSOHLVYTH-UHFFFAOYSA-N 0 0 195.222 2.048 10 0 AEAERN CC[C@H](C)c1nccc(F)n1 575597452 352859948 /nfs/dbraw/zinc/85/99/48/352859948.db2.gz JXPZUUYIPANICM-LURJTMIESA-N 0 0 154.188 2.129 10 0 AEAERN CCc1cc(F)nc(C2(C)CC2)n1 575597390 352859957 /nfs/dbraw/zinc/85/99/57/352859957.db2.gz DXSXVMVEKICHAL-UHFFFAOYSA-N 0 0 180.226 2.230 10 0 AEAERN Fc1cc(C2CCCC2)ncn1 575597340 352859966 /nfs/dbraw/zinc/85/99/66/352859966.db2.gz BEAUDLULINKFKK-UHFFFAOYSA-N 0 0 166.199 2.273 10 0 AEAERN Clc1noc([C@H]2C[C@@H]2C2CC2)n1 575597225 352859978 /nfs/dbraw/zinc/85/99/78/352859978.db2.gz TTYRRHIOZOFAFS-RITPCOANSA-N 0 0 184.626 2.237 10 0 AEAERN Clc1noc([C@@]23CCC[C@@H]2C3)n1 575597741 352860235 /nfs/dbraw/zinc/86/02/35/352860235.db2.gz VLSBLBJSFGDVLC-SVGQVSJJSA-N 0 0 184.626 2.165 10 0 AEAERN Clc1nncn1C1(C2CCC2)CC1 575597770 352860256 /nfs/dbraw/zinc/86/02/56/352860256.db2.gz ZHNDPWAXQJYOSW-UHFFFAOYSA-N 0 0 197.669 2.221 10 0 AEAERN CCC1CN(c2ccnc(F)c2)C1 575597697 352860259 /nfs/dbraw/zinc/86/02/59/352860259.db2.gz OBVKBHBBIXRDJE-UHFFFAOYSA-N 0 0 180.226 2.067 10 0 AEAERN CC(C)c1c(F)ncnc1Cl 575597783 352860263 /nfs/dbraw/zinc/86/02/63/352860263.db2.gz PXDKXHNROPMAFF-UHFFFAOYSA-N 0 0 174.606 2.393 10 0 AEAERN CCc1nnc(Cl)n1[C@]1(C)C[C@H]1C 575597685 352860312 /nfs/dbraw/zinc/86/03/12/352860312.db2.gz NWRTYTCJBSADBO-HZGVNTEJSA-N 0 0 199.685 2.249 10 0 AEAERN Clc1noc([C@]23CCC[C@H]2C3)n1 575597742 352860319 /nfs/dbraw/zinc/86/03/19/352860319.db2.gz VLSBLBJSFGDVLC-XNCJUZBTSA-N 0 0 184.626 2.165 10 0 AEAERN Clc1nc([C@@H]2CC23CC3)ns1 575597771 352860324 /nfs/dbraw/zinc/86/03/24/352860324.db2.gz ZIXJRTDBYKQOJD-BYPYZUCNSA-N 0 0 186.667 2.459 10 0 AEAERN CC1(C)C[C@H]1c1nccc(F)n1 575597595 352860339 /nfs/dbraw/zinc/86/03/39/352860339.db2.gz IFGSCHSETZHSKR-LURJTMIESA-N 0 0 166.199 2.129 10 0 AEAERN Cc1cc(N2CC[C@@H]2C)nc(Cl)n1 575597778 352860345 /nfs/dbraw/zinc/86/03/45/352860345.db2.gz ZUJAPFBRXPTQDK-ZETCQYMHSA-N 0 0 197.669 2.037 10 0 AEAERN Cc1nc(F)c2c(F)cccc2n1 575597790 352860352 /nfs/dbraw/zinc/86/03/52/352860352.db2.gz RGGADGOENWQTKD-UHFFFAOYSA-N 0 0 180.157 2.216 10 0 AEAERN CCc1nc(F)cc(C(C)C)n1 575597555 352860363 /nfs/dbraw/zinc/86/03/63/352860363.db2.gz DDQOZWYPFNNJMW-UHFFFAOYSA-N 0 0 168.215 2.302 10 0 AEAERN Cc1ccncc1-c1nc(Cl)no1 575597571 352860376 /nfs/dbraw/zinc/86/03/76/352860376.db2.gz RMOOXHBPGVKDSS-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN Cc1cc(F)nc(-c2nccs2)n1 575597638 352860381 /nfs/dbraw/zinc/86/03/81/352860381.db2.gz KIFJAMUKUUFCQB-UHFFFAOYSA-N 0 0 195.222 2.048 10 0 AEAERN Cc1cc(F)nc(C(C)(C)C)n1 575597672 352860392 /nfs/dbraw/zinc/86/03/92/352860392.db2.gz MHFYXGNQQNMOPV-UHFFFAOYSA-N 0 0 168.215 2.222 10 0 AEAERN CC1(C)C[C@]1(C)c1nnc(Cl)o1 575597546 352860396 /nfs/dbraw/zinc/86/03/96/352860396.db2.gz CFLROZGPXXTULW-MRVPVSSYSA-N 0 0 186.642 2.411 10 0 AEAERN CCc1nnc(Cl)n1[C@]1(C)C[C@@H]1C 575597686 352860433 /nfs/dbraw/zinc/86/04/33/352860433.db2.gz NWRTYTCJBSADBO-IMTBSYHQSA-N 0 0 199.685 2.249 10 0 AEAERN Clc1nc([C@H]2C[C@@H]3C[C@@H]3C2)no1 575597727 352860437 /nfs/dbraw/zinc/86/04/37/352860437.db2.gz SSADVIWOPRLILT-FPFOFBBKSA-N 0 0 184.626 2.237 10 0 AEAERN Clc1ccnc([C@@H]2CC23CC3)n1 575597664 352860442 /nfs/dbraw/zinc/86/04/42/352860442.db2.gz LSINBEQRQFRGPX-LURJTMIESA-N 0 0 180.638 2.398 10 0 AEAERN Cc1nc(F)c2cc(F)ccc2n1 575597784 352860473 /nfs/dbraw/zinc/86/04/73/352860473.db2.gz QNDNDTSBTLNWAB-UHFFFAOYSA-N 0 0 180.157 2.216 10 0 AEAERN Clc1noc([C@@H]2C[C@@H]3C[C@@H]3C2)n1 575597691 352860487 /nfs/dbraw/zinc/86/04/87/352860487.db2.gz PXKJSYPEGBGSEI-FMCRUOTFSA-N 0 0 184.626 2.237 10 0 AEAERN Cc1nc(F)c2ccc(F)cc2n1 575597677 352860491 /nfs/dbraw/zinc/86/04/91/352860491.db2.gz MQXBIQYLNGWLFO-UHFFFAOYSA-N 0 0 180.157 2.216 10 0 AEAERN Clc1nc([C@H]2CC23CC3)ns1 575597772 352860497 /nfs/dbraw/zinc/86/04/97/352860497.db2.gz ZIXJRTDBYKQOJD-SCSAIBSYSA-N 0 0 186.667 2.459 10 0 AEAERN Fc1ccnc(-c2cccs2)n1 575597599 352860514 /nfs/dbraw/zinc/86/05/14/352860514.db2.gz IPJUNUIMYWXDRZ-UHFFFAOYSA-N 0 0 180.207 2.344 10 0 AEAERN CC1(C)C[C@@H]1c1nccc(F)n1 575597596 352860530 /nfs/dbraw/zinc/86/05/30/352860530.db2.gz IFGSCHSETZHSKR-ZCFIWIBFSA-N 0 0 166.199 2.129 10 0 AEAERN Cc1cc(N2CC[C@H]2C)nc(Cl)n1 575597777 352860536 /nfs/dbraw/zinc/86/05/36/352860536.db2.gz ZUJAPFBRXPTQDK-SSDOTTSWSA-N 0 0 197.669 2.037 10 0 AEAERN CC1(C)C[C@@]1(C)c1nnc(Cl)o1 575597547 352860547 /nfs/dbraw/zinc/86/05/47/352860547.db2.gz CFLROZGPXXTULW-QMMMGPOBSA-N 0 0 186.642 2.411 10 0 AEAERN Cc1ccc(-c2nccc(F)n2)o1 575597700 352860555 /nfs/dbraw/zinc/86/05/55/352860555.db2.gz QFZXEJUYYRTCPV-UHFFFAOYSA-N 0 0 178.166 2.184 10 0 AEAERN Clc1ccnc([C@H]2CC23CC3)n1 575597667 352860587 /nfs/dbraw/zinc/86/05/87/352860587.db2.gz LSINBEQRQFRGPX-ZCFIWIBFSA-N 0 0 180.638 2.398 10 0 AEAERN CCc1nnc(Cl)n1[C@@]1(C)C[C@H]1C 575597687 352860611 /nfs/dbraw/zinc/86/06/11/352860611.db2.gz NWRTYTCJBSADBO-MUWHJKNJSA-N 0 0 199.685 2.249 10 0 AEAERN Cn1cncc1-c1cc(Cl)ccn1 575597751 352860615 /nfs/dbraw/zinc/86/06/15/352860615.db2.gz XNDNEGVYFZUZER-UHFFFAOYSA-N 0 0 193.637 2.136 10 0 AEAERN CCc1nnc(Cl)n1[C@@]1(C)C[C@@H]1C 575597688 352860632 /nfs/dbraw/zinc/86/06/32/352860632.db2.gz NWRTYTCJBSADBO-RCOVLWMOSA-N 0 0 199.685 2.249 10 0 AEAERN Cn1cncc1-c1nc(Cl)cs1 575597982 352860908 /nfs/dbraw/zinc/86/09/08/352860908.db2.gz VCIGPHGUZPZWCH-UHFFFAOYSA-N 0 0 199.666 2.197 10 0 AEAERN Cc1cc(F)nc(C2CCC2)n1 575597806 352860914 /nfs/dbraw/zinc/86/09/14/352860914.db2.gz UTSCLSRSDXXFDF-UHFFFAOYSA-N 0 0 166.199 2.192 10 0 AEAERN CCc1nc(F)c2sccc2n1 575597928 352860933 /nfs/dbraw/zinc/86/09/33/352860933.db2.gz NQCOEGOLYPHECH-UHFFFAOYSA-N 0 0 182.223 2.393 10 0 AEAERN CC1CC(c2nc(Cl)no2)C1 575597884 352860935 /nfs/dbraw/zinc/86/09/35/352860935.db2.gz GYEKFJUIPWAWBY-UHFFFAOYSA-N 0 0 172.615 2.237 10 0 AEAERN CCCc1nc(F)c2c(n1)CCC2 575597971 352860938 /nfs/dbraw/zinc/86/09/38/352860938.db2.gz UFSNGUDYJUTGPG-UHFFFAOYSA-N 0 0 180.226 2.057 10 0 AEAERN Cc1cc2c(F)ncnc2cc1F 575597821 352860940 /nfs/dbraw/zinc/86/09/40/352860940.db2.gz YDHSQSQQFVBQEF-UHFFFAOYSA-N 0 0 180.157 2.216 10 0 AEAERN CCc1cc(F)nc(C(C)C)n1 575597829 352860947 /nfs/dbraw/zinc/86/09/47/352860947.db2.gz ZIHMNRPFNHEMEZ-UHFFFAOYSA-N 0 0 168.215 2.302 10 0 AEAERN Cc1c(F)ccc2c(F)ncnc12 575597899 352860949 /nfs/dbraw/zinc/86/09/49/352860949.db2.gz IJTJRPJQNPTPED-UHFFFAOYSA-N 0 0 180.157 2.216 10 0 AEAERN Fc1ccnc(C2CCSCC2)n1 575597973 352860951 /nfs/dbraw/zinc/86/09/51/352860951.db2.gz UMYYRSKVHQBCQZ-UHFFFAOYSA-N 0 0 198.266 2.226 10 0 AEAERN CC(C)c1nc(F)c2c(n1)CCC2 575597834 352860954 /nfs/dbraw/zinc/86/09/54/352860954.db2.gz AAZQZUUCBAQCLS-UHFFFAOYSA-N 0 0 180.226 2.228 10 0 AEAERN CC1(C)CCN1c1ccnc(F)c1 575597906 352860960 /nfs/dbraw/zinc/86/09/60/352860960.db2.gz JPYZIUNFGDLIQE-UHFFFAOYSA-N 0 0 180.226 2.209 10 0 AEAERN CCc1nc(F)c2ccsc2n1 575597900 352860963 /nfs/dbraw/zinc/86/09/63/352860963.db2.gz ILIKWIGSJRKPKF-UHFFFAOYSA-N 0 0 182.223 2.393 10 0 AEAERN Cc1ccncc1-c1nnc(Cl)o1 575597837 352860973 /nfs/dbraw/zinc/86/09/73/352860973.db2.gz AJGHEPLANZXFOM-UHFFFAOYSA-N 0 0 195.609 2.093 10 0 AEAERN Cc1nc(F)c2c(n1)CCCCC2 575597953 352860998 /nfs/dbraw/zinc/86/09/98/352860998.db2.gz QVCSAOYAKJSBEC-UHFFFAOYSA-N 0 0 180.226 2.193 10 0 AEAERN Clc1ncncc1-c1cncs1 575598020 352861006 /nfs/dbraw/zinc/86/10/06/352861006.db2.gz YXXKVYIDSLEMDL-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN CCc1nc(F)c(C)c(CC)n1 575597836 352861012 /nfs/dbraw/zinc/86/10/12/352861012.db2.gz AGMFXCYZFYJTNC-UHFFFAOYSA-N 0 0 168.215 2.049 10 0 AEAERN Clc1cc2c(nn1)CCC1(CC1)C2 575597919 352861025 /nfs/dbraw/zinc/86/10/25/352861025.db2.gz MCJPKRPIFDQTFD-UHFFFAOYSA-N 0 0 194.665 2.399 10 0 AEAERN CCCSc1ccnc(F)n1 575597894 352861032 /nfs/dbraw/zinc/86/10/32/352861032.db2.gz HXFXMGPJWKXYJJ-UHFFFAOYSA-N 0 0 172.228 2.118 10 0 AEAERN CC1(C)CCN1c1cc(Cl)ncn1 575597924 352861035 /nfs/dbraw/zinc/86/10/35/352861035.db2.gz MXGCLRNDQBPNGI-UHFFFAOYSA-N 0 0 197.669 2.119 10 0 AEAERN Cc1cc(F)nc(CC(C)C)n1 575597965 352861048 /nfs/dbraw/zinc/86/10/48/352861048.db2.gz SXJPJSBDSKXPHC-UHFFFAOYSA-N 0 0 168.215 2.123 10 0 AEAERN Cc1nc(C2CCC2)nc(F)c1F 575597996 352861056 /nfs/dbraw/zinc/86/10/56/352861056.db2.gz WECQAJDSZBWDTN-UHFFFAOYSA-N 0 0 184.189 2.331 10 0 AEAERN Cc1cc(F)nc(-c2ccns2)n1 575598005 352861068 /nfs/dbraw/zinc/86/10/68/352861068.db2.gz XNJGOJLFBAXOSK-UHFFFAOYSA-N 0 0 195.222 2.048 10 0 AEAERN CCc1nc(C)c(CC)c(F)n1 575598438 352861485 /nfs/dbraw/zinc/86/14/85/352861485.db2.gz ZVWAPESLEPAZHQ-UHFFFAOYSA-N 0 0 168.215 2.049 10 0 AEAERN C[C@@H]1CN(c2ccnc(F)c2)[C@@H]1C 575598167 352861471 /nfs/dbraw/zinc/86/14/71/352861471.db2.gz QIPXQBMCQGHMHF-HTQZYQBOSA-N 0 0 180.226 2.065 10 0 AEAERN Cc1c(F)ncnc1OC(C)(C)C 575599161 352861478 /nfs/dbraw/zinc/86/14/78/352861478.db2.gz AQEWQNIOXHJEKF-UHFFFAOYSA-N 0 0 184.214 2.101 10 0 AEAERN Cc1cnc(F)nc1SC(C)C 575598412 352861488 /nfs/dbraw/zinc/86/14/88/352861488.db2.gz WSZRWGXKNBUSDH-UHFFFAOYSA-N 0 0 186.255 2.425 10 0 AEAERN C[C@H]1CN(c2ccnc(F)c2)[C@@H]1C 575598168 352861507 /nfs/dbraw/zinc/86/15/07/352861507.db2.gz QIPXQBMCQGHMHF-JGVFFNPUSA-N 0 0 180.226 2.065 10 0 AEAERN Cc1c(F)nc(CC2CC2)nc1F 575598147 352861528 /nfs/dbraw/zinc/86/15/28/352861528.db2.gz OJECHMXUZZUJGE-UHFFFAOYSA-N 0 0 184.189 2.016 10 0 AEAERN CC1(c2nccc(F)n2)CCCC1 575598339 352861553 /nfs/dbraw/zinc/86/15/53/352861553.db2.gz MJRMOCCAQMJPDF-UHFFFAOYSA-N 0 0 180.226 2.447 10 0 AEAERN Cc1nc(F)cc(CC(C)C)n1 575598181 352861566 /nfs/dbraw/zinc/86/15/66/352861566.db2.gz ROFLJMMQNGWWBU-UHFFFAOYSA-N 0 0 168.215 2.123 10 0 AEAERN C[C@H]1[C@H](C)CN1c1ccnc(F)c1 575598169 352861573 /nfs/dbraw/zinc/86/15/73/352861573.db2.gz QIPXQBMCQGHMHF-SFYZADRCSA-N 0 0 180.226 2.065 10 0 AEAERN CCc1ccc2ncnc(F)c2c1 575598216 352861602 /nfs/dbraw/zinc/86/16/02/352861602.db2.gz XLLSAHGYECYYDI-UHFFFAOYSA-N 0 0 176.194 2.331 10 0 AEAERN CCSc1nc(F)ncc1C 575598109 352861627 /nfs/dbraw/zinc/86/16/27/352861627.db2.gz KQWGLKGLORHKCO-UHFFFAOYSA-N 0 0 172.228 2.036 10 0 AEAERN CCSc1nc(F)ncc1Cl 575598404 352861676 /nfs/dbraw/zinc/86/16/76/352861676.db2.gz VLRZTVHCRXBTLR-UHFFFAOYSA-N 0 0 192.646 2.381 10 0 AEAERN CCc1c(F)nc(C2CC2)nc1F 575598102 352861714 /nfs/dbraw/zinc/86/17/14/352861714.db2.gz IVNRQNFYUGZTDY-UHFFFAOYSA-N 0 0 184.189 2.195 10 0 AEAERN C[C@H]1CN(c2ccnc(F)c2)[C@H]1C 575598170 352861728 /nfs/dbraw/zinc/86/17/28/352861728.db2.gz QIPXQBMCQGHMHF-YUMQZZPRSA-N 0 0 180.226 2.065 10 0 AEAERN CC1(C)CCN1c1cnc(Cl)cn1 575599425 352861885 /nfs/dbraw/zinc/86/18/85/352861885.db2.gz QCMCFPWJGLYXRK-UHFFFAOYSA-N 0 0 197.669 2.119 10 0 AEAERN Fc1nc(C2CCC2)nc(F)c1F 575599277 352861912 /nfs/dbraw/zinc/86/19/12/352861912.db2.gz IADZPRCWWBKJTO-UHFFFAOYSA-N 0 0 188.152 2.161 10 0 AEAERN CC1(C)C[C@@]1(C)Cn1cnnc1Cl 575599266 352861976 /nfs/dbraw/zinc/86/19/76/352861976.db2.gz BBZMIKOWMWIRFJ-VIFPVBQESA-N 0 0 199.685 2.368 10 0 AEAERN CC1CN(c2ccnc(Cl)c2)C1 575599362 352861980 /nfs/dbraw/zinc/86/19/80/352861980.db2.gz DIFINTFEHATCHR-UHFFFAOYSA-N 0 0 182.654 2.191 10 0 AEAERN CCc1cc(F)nc(C2CC2)n1 575599428 352861994 /nfs/dbraw/zinc/86/19/94/352861994.db2.gz FQDFSFYEWBXOOM-UHFFFAOYSA-N 0 0 166.199 2.056 10 0 AEAERN Fc1cc(Cl)nc(C2CC2)n1 575599488 352862070 /nfs/dbraw/zinc/86/20/70/352862070.db2.gz LKXSVPWYRZNWBZ-UHFFFAOYSA-N 0 0 172.590 2.147 10 0 AEAERN CCCc1nc(C)c(C)c(F)n1 575599367 352862076 /nfs/dbraw/zinc/86/20/76/352862076.db2.gz LPUMEBLSKBXLMV-UHFFFAOYSA-N 0 0 168.215 2.185 10 0 AEAERN Cc1ccc(CN2CCC2)c(Cl)n1 575599440 352862086 /nfs/dbraw/zinc/86/20/86/352862086.db2.gz RBHVSBNXADMNBO-UHFFFAOYSA-N 0 0 196.681 2.249 10 0 AEAERN CC1(C)CCN1c1ccc(Cl)nn1 575599375 352862099 /nfs/dbraw/zinc/86/20/99/352862099.db2.gz ISXKAYLUUCVENT-UHFFFAOYSA-N 0 0 197.669 2.119 10 0 AEAERN Cc1nc(C2CC2)nc(F)c1C 575599381 352862104 /nfs/dbraw/zinc/86/21/04/352862104.db2.gz DNCLZAUCLZNVKF-UHFFFAOYSA-N 0 0 166.199 2.110 10 0 AEAERN CCc1cccc2c(F)ncnc12 575599480 352862136 /nfs/dbraw/zinc/86/21/36/352862136.db2.gz KSKVSYOFGVDDIW-UHFFFAOYSA-N 0 0 176.194 2.331 10 0 AEAERN Fc1cc(C2CC2)nc(Cl)n1 575599407 352862152 /nfs/dbraw/zinc/86/21/52/352862152.db2.gz FIQTWPRNCACUIP-UHFFFAOYSA-N 0 0 172.590 2.147 10 0 AEAERN C[C@@H]1CCN1Cc1cccc(Cl)n1 575599395 352862171 /nfs/dbraw/zinc/86/21/71/352862171.db2.gz JTVRESXOEFEVAM-MRVPVSSYSA-N 0 0 196.681 2.329 10 0 AEAERN C[C@H]1CCN1Cc1cccc(Cl)n1 575599396 352862203 /nfs/dbraw/zinc/86/22/03/352862203.db2.gz JTVRESXOEFEVAM-QMMMGPOBSA-N 0 0 196.681 2.329 10 0 AEAERN CCC1CN(c2cccc(F)n2)C1 575599562 352862277 /nfs/dbraw/zinc/86/22/77/352862277.db2.gz UDXQDVXDYLOHRL-UHFFFAOYSA-N 0 0 180.226 2.067 10 0 AEAERN CC(C)c1nc(F)c2c(n1)CSC2 575599368 352862323 /nfs/dbraw/zinc/86/23/23/352862323.db2.gz LPZZNZZVJJHUOF-UHFFFAOYSA-N 0 0 198.266 2.486 10 0 AEAERN C[C@@H]1C[C@@]1(C)c1nc(Cl)ns1 575599753 352862749 /nfs/dbraw/zinc/86/27/49/352862749.db2.gz OZEXTTURJHXOHB-CLZZGJSISA-N 0 0 188.683 2.489 10 0 AEAERN CCCc1nc(C)c(F)c(F)n1 575599991 352862819 /nfs/dbraw/zinc/86/28/19/352862819.db2.gz AYEUYMWAHSCHOG-UHFFFAOYSA-N 0 0 172.178 2.016 10 0 AEAERN Cc1c(Cl)ncnc1N1CC[C@H]1C 575600035 352862892 /nfs/dbraw/zinc/86/28/92/352862892.db2.gz IAXLJLWKIDMZNE-ZCFIWIBFSA-N 0 0 197.669 2.037 10 0 AEAERN C[C@H]1CN(c2cccc(F)n2)[C@@H]1C 575599646 352862709 /nfs/dbraw/zinc/86/27/09/352862709.db2.gz REEHJIAAZGUJMY-JGVFFNPUSA-N 0 0 180.226 2.065 10 0 AEAERN Cc1ncsc1-c1cnc(F)nc1 575599737 352862725 /nfs/dbraw/zinc/86/27/25/352862725.db2.gz VCSVGDJMCUIABH-UHFFFAOYSA-N 0 0 195.222 2.048 10 0 AEAERN Cc1c(F)nc(C2CCC2)nc1F 575600071 352862735 /nfs/dbraw/zinc/86/27/35/352862735.db2.gz GBBSOAIDHFCPRN-UHFFFAOYSA-N 0 0 184.189 2.331 10 0 AEAERN C[C@H]1C[C@@]1(C)c1nc(Cl)ns1 575599757 352862758 /nfs/dbraw/zinc/86/27/58/352862758.db2.gz OZEXTTURJHXOHB-MHTLYPKNSA-N 0 0 188.683 2.489 10 0 AEAERN Cc1cocc1-c1nc(Cl)no1 575600044 352862765 /nfs/dbraw/zinc/86/27/65/352862765.db2.gz JLSRHHCYMKUEEN-UHFFFAOYSA-N 0 0 184.582 2.291 10 0 AEAERN Cc1occc1-c1nccc(F)n1 575599975 352862787 /nfs/dbraw/zinc/86/27/87/352862787.db2.gz CBCGBNSLKAKGNK-UHFFFAOYSA-N 0 0 178.166 2.184 10 0 AEAERN Cc1nnc(Cl)n1[C@@]12CCC[C@@H]1C2 575599636 352862793 /nfs/dbraw/zinc/86/27/93/352862793.db2.gz XGXYWDVXBSUQSU-VXNVDRBHSA-N 0 0 197.669 2.139 10 0 AEAERN Cc1ccc(F)c2ncnc(F)c12 575599661 352862810 /nfs/dbraw/zinc/86/28/10/352862810.db2.gz XVOXWSHAOOYRLI-UHFFFAOYSA-N 0 0 180.157 2.216 10 0 AEAERN CCSc1ncnc(F)c1C 575599865 352862829 /nfs/dbraw/zinc/86/28/29/352862829.db2.gz YAVHSDBOLDSBAB-UHFFFAOYSA-N 0 0 172.228 2.036 10 0 AEAERN C[C@@H]1C[C@]1(C)c1nc(Cl)ns1 575599754 352862850 /nfs/dbraw/zinc/86/28/50/352862850.db2.gz OZEXTTURJHXOHB-FBCQKBJTSA-N 0 0 188.683 2.489 10 0 AEAERN Fc1cncc(Nc2ccsc2)n1 575599906 352862859 /nfs/dbraw/zinc/86/28/59/352862859.db2.gz YBVWWLGJUJHWHK-UHFFFAOYSA-N 0 0 195.222 2.421 10 0 AEAERN C[C@H]1CN(c2cccc(F)n2)[C@H]1C 575599652 352862864 /nfs/dbraw/zinc/86/28/64/352862864.db2.gz REEHJIAAZGUJMY-YUMQZZPRSA-N 0 0 180.226 2.065 10 0 AEAERN CCC(F)(F)c1nc(Cl)no1 575600045 352862872 /nfs/dbraw/zinc/86/28/72/352862872.db2.gz KDMAPCSYXMFLCK-UHFFFAOYSA-N 0 0 182.557 2.225 10 0 AEAERN Cc1nnc(Cl)n1[C@]12CCC[C@H]1C2 575599632 352862874 /nfs/dbraw/zinc/86/28/74/352862874.db2.gz XGXYWDVXBSUQSU-CBAPKCEASA-N 0 0 197.669 2.139 10 0 AEAERN Cc1nc(CC(C)C)nc(F)c1F 575599782 352862879 /nfs/dbraw/zinc/86/28/79/352862879.db2.gz QINMGAQQEBMAFZ-UHFFFAOYSA-N 0 0 186.205 2.262 10 0 AEAERN C[C@H]1[C@H](C)CN1c1cccc(F)n1 575599650 352862881 /nfs/dbraw/zinc/86/28/81/352862881.db2.gz REEHJIAAZGUJMY-SFYZADRCSA-N 0 0 180.226 2.065 10 0 AEAERN CC1CN(Cc2ccnc(Cl)c2)C1 575599999 352862884 /nfs/dbraw/zinc/86/28/84/352862884.db2.gz BNHMSLQMSQMTSQ-UHFFFAOYSA-N 0 0 196.681 2.187 10 0 AEAERN C[C@H]1C[C@]1(C)c1nc(Cl)ns1 575599756 352862889 /nfs/dbraw/zinc/86/28/89/352862889.db2.gz OZEXTTURJHXOHB-FFWSUHOLSA-N 0 0 188.683 2.489 10 0 AEAERN CC1CC(c2nnc(Cl)o2)C1 575599990 352862898 /nfs/dbraw/zinc/86/28/98/352862898.db2.gz AWCJKWRCVCPJGR-UHFFFAOYSA-N 0 0 172.615 2.237 10 0 AEAERN CC1(C)CCN1c1nccnc1Cl 575599752 352862905 /nfs/dbraw/zinc/86/29/05/352862905.db2.gz OJIUQUXBMAATOU-UHFFFAOYSA-N 0 0 197.669 2.119 10 0 AEAERN C[C@@H]1CN(c2cccc(F)n2)[C@@H]1C 575599641 352862934 /nfs/dbraw/zinc/86/29/34/352862934.db2.gz REEHJIAAZGUJMY-HTQZYQBOSA-N 0 0 180.226 2.065 10 0 AEAERN CC1(C)CCN1c1cccc(F)n1 575599888 352862937 /nfs/dbraw/zinc/86/29/37/352862937.db2.gz XFZJMTNJNHBFIW-UHFFFAOYSA-N 0 0 180.226 2.209 10 0 AEAERN Cc1c(Cl)ncnc1N1CC[C@@H]1C 575600034 352862939 /nfs/dbraw/zinc/86/29/39/352862939.db2.gz IAXLJLWKIDMZNE-LURJTMIESA-N 0 0 197.669 2.037 10 0 AEAERN CC1(C)C[C@@]1(C)n1cnnc1Cl 575600095 352863359 /nfs/dbraw/zinc/86/33/59/352863359.db2.gz IZVLDMSWBCOTQO-MRVPVSSYSA-N 0 0 185.658 2.077 10 0 AEAERN C[C@@H]1CCN1c1cccc(Cl)n1 575600314 352863377 /nfs/dbraw/zinc/86/33/77/352863377.db2.gz PKOATWMPZXRTHH-SSDOTTSWSA-N 0 0 182.654 2.334 10 0 AEAERN Cc1nc(CC(C)C)nc(F)c1C 575600249 352863407 /nfs/dbraw/zinc/86/34/07/352863407.db2.gz OIEOCRKHYOIJTQ-UHFFFAOYSA-N 0 0 182.242 2.431 10 0 AEAERN C[C@@H](n1cnnc1Cl)C1(C)CC1 575600149 352863434 /nfs/dbraw/zinc/86/34/34/352863434.db2.gz QEBIDYFVQURAGU-ZCFIWIBFSA-N 0 0 185.658 2.293 10 0 AEAERN CCc1nc(F)c(C)c(Cl)n1 575600230 352863440 /nfs/dbraw/zinc/86/34/40/352863440.db2.gz NSFSVIYUEAJPGJ-UHFFFAOYSA-N 0 0 174.606 2.140 10 0 AEAERN COc1cc(C(C)C)nc(Cl)n1 575600266 352863461 /nfs/dbraw/zinc/86/34/61/352863461.db2.gz XQJVIUSNJYXPIW-UHFFFAOYSA-N 0 0 186.642 2.262 10 0 AEAERN Fc1nc(C2CC2)nc2c1CSC2 575600400 352863475 /nfs/dbraw/zinc/86/34/75/352863475.db2.gz UPMWIAJAVWZLLN-UHFFFAOYSA-N 0 0 196.250 2.240 10 0 AEAERN Cc1cnc(Cl)nc1N1CC[C@@H]1C 575600365 352863490 /nfs/dbraw/zinc/86/34/90/352863490.db2.gz SSPQCJYMFORTMM-ZETCQYMHSA-N 0 0 197.669 2.037 10 0 AEAERN CC(C)C1(c2nc(Cl)no2)CC1 575600163 352863496 /nfs/dbraw/zinc/86/34/96/352863496.db2.gz QHKQPQOHMBBMMS-UHFFFAOYSA-N 0 0 186.642 2.411 10 0 AEAERN Fc1ccnc(CC2CCCC2)n1 575600159 352863502 /nfs/dbraw/zinc/86/35/02/352863502.db2.gz CDDRJXIBKNRQQP-UHFFFAOYSA-N 0 0 180.226 2.348 10 0 AEAERN C[C@H](n1cnnc1Cl)C1(C)CC1 575600148 352863513 /nfs/dbraw/zinc/86/35/13/352863513.db2.gz QEBIDYFVQURAGU-LURJTMIESA-N 0 0 185.658 2.293 10 0 AEAERN CCCc1nc(F)c2c(n1)CSC2 575600110 352863522 /nfs/dbraw/zinc/86/35/22/352863522.db2.gz MXXNZEIFIVRBKV-UHFFFAOYSA-N 0 0 198.266 2.315 10 0 AEAERN Cc1cnc(Cl)nc1N1CC[C@H]1C 575600364 352863527 /nfs/dbraw/zinc/86/35/27/352863527.db2.gz SSPQCJYMFORTMM-SSDOTTSWSA-N 0 0 197.669 2.037 10 0 AEAERN CCCc1nc(F)cc(Cl)n1 575600206 352863533 /nfs/dbraw/zinc/86/35/33/352863533.db2.gz JNBLGFOUZDWKHB-UHFFFAOYSA-N 0 0 174.606 2.222 10 0 AEAERN Cc1cc(OC(C)(C)C)nc(F)n1 575600092 352863549 /nfs/dbraw/zinc/86/35/49/352863549.db2.gz HFXOFHHJAXYIRZ-UHFFFAOYSA-N 0 0 184.214 2.101 10 0 AEAERN Cc1nc(Cl)nc(CC(C)C)n1 575600138 352863551 /nfs/dbraw/zinc/86/35/51/352863551.db2.gz NUWFXURNJKDPLK-UHFFFAOYSA-N 0 0 185.658 2.032 10 0 AEAERN CC1(C)C[C@]1(C)n1cnnc1Cl 575600096 352863557 /nfs/dbraw/zinc/86/35/57/352863557.db2.gz IZVLDMSWBCOTQO-QMMMGPOBSA-N 0 0 185.658 2.077 10 0 AEAERN Clc1nccc(C2(Cl)CC2)n1 575600219 352863583 /nfs/dbraw/zinc/86/35/83/352863583.db2.gz LBOISWACLLXVBL-UHFFFAOYSA-N 0 0 189.045 2.358 10 0 AEAERN C[C@H]1CCN1c1cccc(Cl)n1 575600316 352863594 /nfs/dbraw/zinc/86/35/94/352863594.db2.gz PKOATWMPZXRTHH-ZETCQYMHSA-N 0 0 182.654 2.334 10 0 AEAERN O=c1cc(CC2CCCCC2)[nH][nH]1 575601285 352863893 /nfs/dbraw/zinc/86/38/93/352863893.db2.gz VWWYWUQZYKGTGM-UHFFFAOYSA-N 0 0 180.251 2.238 10 0 AEAERN Cc1cc([C@H]2CC[C@H]2C)n[nH]1 575601252 352863955 /nfs/dbraw/zinc/86/39/55/352863955.db2.gz SIZCXFIBPQRJRP-SVRRBLITSA-N 0 0 150.225 2.232 10 0 AEAERN CC[C@H](C)c1cc2n(n1)CCCO2 575601025 352864031 /nfs/dbraw/zinc/86/40/31/352864031.db2.gz GBKQBEXMBIUFAJ-QMMMGPOBSA-N 0 0 180.251 2.179 10 0 AEAERN Cc1cc([C@@H]2CC[C@@H]2C)n[nH]1 575601251 352864036 /nfs/dbraw/zinc/86/40/36/352864036.db2.gz SIZCXFIBPQRJRP-POYBYMJQSA-N 0 0 150.225 2.232 10 0 AEAERN Cc1cc([C@H]2CC[C@@H]2C)n[nH]1 575601253 352864101 /nfs/dbraw/zinc/86/41/01/352864101.db2.gz SIZCXFIBPQRJRP-XPUUQOCRSA-N 0 0 150.225 2.232 10 0 AEAERN Cc1cc([C@@H]2CC[C@H]2C)n[nH]1 575601250 352864120 /nfs/dbraw/zinc/86/41/20/352864120.db2.gz SIZCXFIBPQRJRP-HTRCEHHLSA-N 0 0 150.225 2.232 10 0 AEAERN Cc1cc(C2OCCO2)c(C)nc1C 575601132 352864280 /nfs/dbraw/zinc/86/42/80/352864280.db2.gz JTAUPSWOISTOEL-UHFFFAOYSA-N 0 0 193.246 2.052 10 0 AEAERN CC[C@@H](C)c1cc2n(n1)CCCO2 575601024 352864363 /nfs/dbraw/zinc/86/43/63/352864363.db2.gz GBKQBEXMBIUFAJ-MRVPVSSYSA-N 0 0 180.251 2.179 10 0 AEAERN O[C@H](c1ccncc1Cl)C(F)F 575601725 352864720 /nfs/dbraw/zinc/86/47/20/352864720.db2.gz NDGSJBLQOILVRM-ZCFIWIBFSA-N 0 0 193.580 2.034 10 0 AEAERN C[C@@H]1[C@@H](CO)CC[C@@H](C)[C@H]1C 575601769 352864828 /nfs/dbraw/zinc/86/48/28/352864828.db2.gz CLHHQSDTOXKCDX-DOLQZWNJSA-N 0 0 156.269 2.297 10 0 AEAERN CC(C)c1cc2n(n1)C[C@@H](C)CO2 575601788 352864901 /nfs/dbraw/zinc/86/49/01/352864901.db2.gz CQCVDNMZWDHSGA-MRVPVSSYSA-N 0 0 180.251 2.035 10 0 AEAERN FC(F)(F)c1cnn(CC2CC2)c1 575601665 352864914 /nfs/dbraw/zinc/86/49/14/352864914.db2.gz LPYUWFZKJWAZNP-UHFFFAOYSA-N 0 0 190.168 2.312 10 0 AEAERN FC(F)(F)n1cc(Cl)cn1 575601370 352864947 /nfs/dbraw/zinc/86/49/47/352864947.db2.gz BTGXFUHXUMNBOF-UHFFFAOYSA-N 0 0 170.521 2.013 10 0 AEAERN O[C@@H](c1ccc(Cl)nc1)C(F)F 575601599 352864969 /nfs/dbraw/zinc/86/49/69/352864969.db2.gz JPZMTTNLWDHMTQ-LURJTMIESA-N 0 0 193.580 2.034 10 0 AEAERN O[C@@H](c1ccncc1Cl)C(F)F 575601723 352864982 /nfs/dbraw/zinc/86/49/82/352864982.db2.gz NDGSJBLQOILVRM-LURJTMIESA-N 0 0 193.580 2.034 10 0 AEAERN C[C@H]1[C@H](C)CC[C@H](CO)[C@@H]1C 575601770 352865019 /nfs/dbraw/zinc/86/50/19/352865019.db2.gz CLHHQSDTOXKCDX-UTINFBMNSA-N 0 0 156.269 2.297 10 0 AEAERN C[C@@H]1[C@@H](CO)CC[C@@H](C)[C@@H]1C 575601772 352865082 /nfs/dbraw/zinc/86/50/82/352865082.db2.gz CLHHQSDTOXKCDX-XFWSIPNHSA-N 0 0 156.269 2.297 10 0 AEAERN O[C@H](c1ccc(Cl)nc1)C(F)F 575601601 352865112 /nfs/dbraw/zinc/86/51/12/352865112.db2.gz JPZMTTNLWDHMTQ-ZCFIWIBFSA-N 0 0 193.580 2.034 10 0 AEAERN O[C@H](c1cccnc1Cl)C(F)F 575601862 352865379 /nfs/dbraw/zinc/86/53/79/352865379.db2.gz OSYMOUDZQRWNKM-RXMQYKEDSA-N 0 0 193.580 2.034 10 0 AEAERN O[C@H](c1cncc(Cl)c1)C(F)F 575601866 352865398 /nfs/dbraw/zinc/86/53/98/352865398.db2.gz PNINKARFUMCDGW-ZCFIWIBFSA-N 0 0 193.580 2.034 10 0 AEAERN CCC[C@@H]1COc2cc(C)nn2C1 575601802 352865462 /nfs/dbraw/zinc/86/54/62/352865462.db2.gz DNNSOXGFZZKUFT-VIFPVBQESA-N 0 0 180.251 2.000 10 0 AEAERN CCC[C@H]1COc2cc(C)nn2C1 575601800 352865495 /nfs/dbraw/zinc/86/54/95/352865495.db2.gz DNNSOXGFZZKUFT-SECBINFHSA-N 0 0 180.251 2.000 10 0 AEAERN O[C@@H](c1cccnc1Cl)C(F)F 575601863 352865501 /nfs/dbraw/zinc/86/55/01/352865501.db2.gz OSYMOUDZQRWNKM-YFKPBYRVSA-N 0 0 193.580 2.034 10 0 AEAERN CC(C)c1cc2n(n1)C[C@H](C)CO2 575601790 352865521 /nfs/dbraw/zinc/86/55/21/352865521.db2.gz CQCVDNMZWDHSGA-QMMMGPOBSA-N 0 0 180.251 2.035 10 0 AEAERN O[C@@H](c1cncc(Cl)c1)C(F)F 575601865 352865675 /nfs/dbraw/zinc/86/56/75/352865675.db2.gz PNINKARFUMCDGW-LURJTMIESA-N 0 0 193.580 2.034 10 0 AEAERN O=C1CC(c2nc3ccccc3[nH]2)C1 575602454 352865994 /nfs/dbraw/zinc/86/59/94/352865994.db2.gz PKLKUEUXNKSXIE-UHFFFAOYSA-N 0 0 186.214 2.009 10 0 AEAERN Nc1ccccc1OCC1CC(F)C1 575602366 352866023 /nfs/dbraw/zinc/86/60/23/352866023.db2.gz NKXJUVOGMKVSTB-UHFFFAOYSA-N 0 0 195.237 2.396 10 0 AEAERN O[C@H](c1ccnc(Cl)c1)C(F)F 575602323 352866067 /nfs/dbraw/zinc/86/60/67/352866067.db2.gz YRSNVXSLXLCCMZ-ZCFIWIBFSA-N 0 0 193.580 2.034 10 0 AEAERN CC[C@H]1COc2cc(C(C)C)nn2C1 575602246 352866137 /nfs/dbraw/zinc/86/61/37/352866137.db2.gz MJUYYFGYHJBZJZ-SECBINFHSA-N 0 0 194.278 2.425 10 0 AEAERN O[C@@H](c1cnccc1Cl)C(F)F 575602264 352866259 /nfs/dbraw/zinc/86/62/59/352866259.db2.gz WNTXBDSJZZKNLR-LURJTMIESA-N 0 0 193.580 2.034 10 0 AEAERN O[C@@H](c1ccnc(Cl)c1)C(F)F 575602322 352866287 /nfs/dbraw/zinc/86/62/87/352866287.db2.gz YRSNVXSLXLCCMZ-LURJTMIESA-N 0 0 193.580 2.034 10 0 AEAERN O[C@H](c1cnccc1Cl)C(F)F 575602266 352866372 /nfs/dbraw/zinc/86/63/72/352866372.db2.gz WNTXBDSJZZKNLR-ZCFIWIBFSA-N 0 0 193.580 2.034 10 0 AEAERN Nc1cccc(OCC2CC(F)C2)c1 575602361 352866412 /nfs/dbraw/zinc/86/64/12/352866412.db2.gz NAJVVPGBLCMATA-UHFFFAOYSA-N 0 0 195.237 2.396 10 0 AEAERN CC[C@@H]1COc2cc(C(C)C)nn2C1 575602252 352866427 /nfs/dbraw/zinc/86/64/27/352866427.db2.gz MJUYYFGYHJBZJZ-VIFPVBQESA-N 0 0 194.278 2.425 10 0 AEAERN CCC(=O)c1ccn(CC2CCC2)n1 575602770 352867061 /nfs/dbraw/zinc/86/70/61/352867061.db2.gz VAFYQRWGUZOIQC-UHFFFAOYSA-N 0 0 192.262 2.276 10 0 AEAERN FC(F)(F)Cc1cc(Cl)ncn1 575621927 352867474 /nfs/dbraw/zinc/86/74/74/352867474.db2.gz ARYZILPVSYKPSG-UHFFFAOYSA-N 0 0 196.559 2.235 10 0 AEAERN CCOC(=O)/C(F)=C(/C)C1CC1 575628273 352868297 /nfs/dbraw/zinc/86/82/97/352868297.db2.gz OBERRPZQCSOPAQ-SOFGYWHQSA-N 0 0 172.199 2.203 10 0 AEAERN CCc1cc(C#N)cc(CC)c1C=O 575639635 352869334 /nfs/dbraw/zinc/86/93/34/352869334.db2.gz KAQUCIZZDSCURN-UHFFFAOYSA-N 0 0 187.242 2.496 10 0 AEAERN CCc1cc(C#N)c(C=O)c(CC)c1 575638443 352869380 /nfs/dbraw/zinc/86/93/80/352869380.db2.gz ARQLOUWQJKWJTN-UHFFFAOYSA-N 0 0 187.242 2.496 10 0 AEAERN CCc1cc(CC)c(C=O)cc1C#N 575638703 352869434 /nfs/dbraw/zinc/86/94/34/352869434.db2.gz BTMJPNBRAZOGCT-UHFFFAOYSA-N 0 0 187.242 2.496 10 0 AEAERN CCc1cc(C#N)c(C=O)cc1CC 575638426 352869529 /nfs/dbraw/zinc/86/95/29/352869529.db2.gz APJUQSDQKHJKIO-UHFFFAOYSA-N 0 0 187.242 2.496 10 0 AEAERN CCc1cc(C#N)c(CC)c(CO)c1 575639420 352869540 /nfs/dbraw/zinc/86/95/40/352869540.db2.gz IAMKRCGQRVAJHN-UHFFFAOYSA-N 0 0 189.258 2.175 10 0 AEAERN CCc1cc(C#N)c(CC)c(C=O)c1 575639245 352869643 /nfs/dbraw/zinc/86/96/43/352869643.db2.gz GAGXPMNIWSSKOB-UHFFFAOYSA-N 0 0 187.242 2.496 10 0 AEAERN CCc1cc(C=O)c(C#N)c(CC)c1 575638780 352869753 /nfs/dbraw/zinc/86/97/53/352869753.db2.gz CXTKGGLMFGQSSC-UHFFFAOYSA-N 0 0 187.242 2.496 10 0 AEAERN CCc1cc(CO)cc(C#N)c1CC 575638405 352869792 /nfs/dbraw/zinc/86/97/92/352869792.db2.gz AKGGMKGJACSDDT-UHFFFAOYSA-N 0 0 189.258 2.175 10 0 AEAERN CCc1cc(CC)c(CO)cc1C#N 575640419 352870100 /nfs/dbraw/zinc/87/01/00/352870100.db2.gz PSIMNNWFLQTCGC-UHFFFAOYSA-N 0 0 189.258 2.175 10 0 AEAERN CCc1cc(C#N)c(CO)c(CC)c1 575640126 352870122 /nfs/dbraw/zinc/87/01/22/352870122.db2.gz OMGYSCUSSFFQIF-UHFFFAOYSA-N 0 0 189.258 2.175 10 0 AEAERN CCc1cc(CC)c(C#N)c(CO)c1 575641179 352870128 /nfs/dbraw/zinc/87/01/28/352870128.db2.gz WWFYPIQKQFMRFZ-UHFFFAOYSA-N 0 0 189.258 2.175 10 0 AEAERN CC(=O)c1cc(C)c(C#N)cc1C 575642454 352870132 /nfs/dbraw/zinc/87/01/32/352870132.db2.gz BGVKLTKQXVLGHB-UHFFFAOYSA-N 0 0 173.215 2.378 10 0 AEAERN CCc1cc(CO)c(CC)cc1C#N 575640819 352870136 /nfs/dbraw/zinc/87/01/36/352870136.db2.gz SCFRQCIVMSFQJK-UHFFFAOYSA-N 0 0 189.258 2.175 10 0 AEAERN CCc1cc(C=O)c(CC)cc1C#N 575641327 352870144 /nfs/dbraw/zinc/87/01/44/352870144.db2.gz ZTMMICNXFUZROS-UHFFFAOYSA-N 0 0 187.242 2.496 10 0 AEAERN CCc1cc(C#N)cc(C=O)c1CC 575641217 352870159 /nfs/dbraw/zinc/87/01/59/352870159.db2.gz XOUYOSWUKMJCDV-UHFFFAOYSA-N 0 0 187.242 2.496 10 0 AEAERN CCOc1cc(C#N)cc(F)c1OC 575642446 352870170 /nfs/dbraw/zinc/87/01/70/352870170.db2.gz CPTKTMCHBDZIKL-UHFFFAOYSA-N 0 0 195.193 2.105 10 0 AEAERN N#Cc1ccc(F)c(C=O)c1C(F)F 575642415 352870177 /nfs/dbraw/zinc/87/01/77/352870177.db2.gz BENWETHYFQRHGC-UHFFFAOYSA-N 0 0 199.131 2.447 10 0 AEAERN CCc1cc(C=O)cc(C#N)c1CC 575640021 352870223 /nfs/dbraw/zinc/87/02/23/352870223.db2.gz KWPQVWVHCCJJQY-UHFFFAOYSA-N 0 0 187.242 2.496 10 0 AEAERN CCc1cc(C#N)c(CO)cc1CC 575640624 352870228 /nfs/dbraw/zinc/87/02/28/352870228.db2.gz QXALDTWQNYUSBC-UHFFFAOYSA-N 0 0 189.258 2.175 10 0 AEAERN COc1cc(O)c(C#N)cc1C(F)F 575642416 352870233 /nfs/dbraw/zinc/87/02/33/352870233.db2.gz BETWBLQESNJGQW-UHFFFAOYSA-N 0 0 199.156 2.210 10 0 AEAERN CCOc1cc(C#N)cc(OC)c1F 575642374 352870243 /nfs/dbraw/zinc/87/02/43/352870243.db2.gz AYUICXUFFGQZCF-UHFFFAOYSA-N 0 0 195.193 2.105 10 0 AEAERN CCc1cc(C#N)cc(CC)c1CO 575640891 352870256 /nfs/dbraw/zinc/87/02/56/352870256.db2.gz TVCMAFXBEKSPOI-UHFFFAOYSA-N 0 0 189.258 2.175 10 0 AEAERN CCc1cc(C#N)cc(CO)c1CC 575640911 352870265 /nfs/dbraw/zinc/87/02/65/352870265.db2.gz UGFRUDUMVKOPDI-UHFFFAOYSA-N 0 0 189.258 2.175 10 0 AEAERN N#Cc1ccc(C=O)c(F)c1C(F)F 575642435 352870272 /nfs/dbraw/zinc/87/02/72/352870272.db2.gz BNWXQQHGSHWCPM-UHFFFAOYSA-N 0 0 199.131 2.447 10 0 AEAERN CCc1cc(C=O)cc(CC)c1C#N 575640930 352870285 /nfs/dbraw/zinc/87/02/85/352870285.db2.gz VBTYOUMKUAGLRL-UHFFFAOYSA-N 0 0 187.242 2.496 10 0 AEAERN COc1cc(O)c(C(F)F)c(C#N)c1 575643024 352870812 /nfs/dbraw/zinc/87/08/12/352870812.db2.gz LUSHWTZUBIVLPX-UHFFFAOYSA-N 0 0 199.156 2.210 10 0 AEAERN N#Cc1cc(C=O)c(F)cc1C(F)F 575642820 352870817 /nfs/dbraw/zinc/87/08/17/352870817.db2.gz JUZGVNMMKFEAGB-UHFFFAOYSA-N 0 0 199.131 2.447 10 0 AEAERN CCOc1cc(OC)cc(F)c1C#N 575643128 352870821 /nfs/dbraw/zinc/87/08/21/352870821.db2.gz NFXXMJYQAKIPIH-UHFFFAOYSA-N 0 0 195.193 2.105 10 0 AEAERN 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575729176 352905277 /nfs/dbraw/zinc/90/52/77/352905277.db2.gz WEKJOWMYPUAXLO-UHFFFAOYSA-N 0 0 191.152 2.302 10 0 AEAERN Cc1cc(C(F)(F)F)c(O)cc1N 575728383 352905031 /nfs/dbraw/zinc/90/50/31/352905031.db2.gz OBDJAWUZYFQXGA-UHFFFAOYSA-N 0 0 191.152 2.302 10 0 AEAERN Cc1cc(N)c(C(F)(F)F)cc1O 575727909 352905043 /nfs/dbraw/zinc/90/50/43/352905043.db2.gz KOFIZPKMAJPHLZ-UHFFFAOYSA-N 0 0 191.152 2.302 10 0 AEAERN Cc1cc(N)cc(O)c1C(F)(F)F 575727910 352905069 /nfs/dbraw/zinc/90/50/69/352905069.db2.gz KPBJGUKFKFICDM-UHFFFAOYSA-N 0 0 191.152 2.302 10 0 AEAERN Cc1c(O)cc(N)cc1C(F)(F)F 575729002 352905111 /nfs/dbraw/zinc/90/51/11/352905111.db2.gz TXQBVORPDRQWLA-UHFFFAOYSA-N 0 0 191.152 2.302 10 0 AEAERN Cc1ccc(N)c(C(F)(F)F)c1O 575729170 352905122 /nfs/dbraw/zinc/90/51/22/352905122.db2.gz WCONFFNYKTWEBI-UHFFFAOYSA-N 0 0 191.152 2.302 10 0 AEAERN Cc1c(N)cc(C(F)(F)F)cc1O 575727866 352905137 /nfs/dbraw/zinc/90/51/37/352905137.db2.gz HORMULBZLADHLW-UHFFFAOYSA-N 0 0 191.152 2.302 10 0 AEAERN Cc1c(N)ccc(O)c1C(F)(F)F 575727952 352905139 /nfs/dbraw/zinc/90/51/39/352905139.db2.gz LZTVJEYUHNETHE-UHFFFAOYSA-N 0 0 191.152 2.302 10 0 AEAERN Cc1cc(O)c(N)c(C(F)(F)F)c1 575727901 352905142 /nfs/dbraw/zinc/90/51/42/352905142.db2.gz JWEMBYGSOSUHRL-UHFFFAOYSA-N 0 0 191.152 2.302 10 0 AEAERN Cc1cc(O)cc(N)c1C(F)(F)F 575727882 352905151 /nfs/dbraw/zinc/90/51/51/352905151.db2.gz INNXYQJTBKUQIT-UHFFFAOYSA-N 0 0 191.152 2.302 10 0 AEAERN Cc1c(C(F)(F)F)ccc(N)c1O 575728985 352905172 /nfs/dbraw/zinc/90/51/72/352905172.db2.gz SSGIFAHMDSVILB-UHFFFAOYSA-N 0 0 191.152 2.302 10 0 AEAERN Cc1cc(C(F)(F)F)c(N)cc1O 575729219 352905189 /nfs/dbraw/zinc/90/51/89/352905189.db2.gz XMWPCJYJJOVKIH-UHFFFAOYSA-N 0 0 191.152 2.302 10 0 AEAERN Cc1c(N)ccc(C(F)(F)F)c1O 575729144 352905197 /nfs/dbraw/zinc/90/51/97/352905197.db2.gz VYTXRRMIUZDRKW-UHFFFAOYSA-N 0 0 191.152 2.302 10 0 AEAERN Cc1c(N)cc(O)cc1C(F)(F)F 575727431 352905206 /nfs/dbraw/zinc/90/52/06/352905206.db2.gz DXOCMOADKCFCTQ-UHFFFAOYSA-N 0 0 191.152 2.302 10 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2.302 10 0 AEAERN Cc1c(O)ccc(C(F)(F)F)c1N 575729064 352905351 /nfs/dbraw/zinc/90/53/51/352905351.db2.gz UZRHTUKSYMPZOJ-UHFFFAOYSA-N 0 0 191.152 2.302 10 0 AEAERN O=C1CCCCN1/C=C/C(F)(F)F 584609593 352906558 /nfs/dbraw/zinc/90/65/58/352906558.db2.gz UHMLRCUCUBIVLQ-GQCTYLIASA-N 0 0 193.168 2.075 10 0 AEAERN O=C1C[C@H](C(F)F)c2ccccc2N1 584621671 352907175 /nfs/dbraw/zinc/90/71/75/352907175.db2.gz AUYLJNGVUMORPX-ZETCQYMHSA-N 0 0 197.184 2.378 10 0 AEAERN O=C1C[C@@H](C(F)F)c2ccccc2N1 584621665 352907197 /nfs/dbraw/zinc/90/71/97/352907197.db2.gz AUYLJNGVUMORPX-SSDOTTSWSA-N 0 0 197.184 2.378 10 0 AEAERN C=Cc1nnn2c1-c1ccccc1CC2 584621862 352907231 /nfs/dbraw/zinc/90/72/31/352907231.db2.gz QFUSYQANHRFNAA-UHFFFAOYSA-N 0 0 197.241 2.144 10 0 AEAERN CCCCC[C@@H]1O[C@H]1C(C)(C)O 584621731 352907246 /nfs/dbraw/zinc/90/72/46/352907246.db2.gz MVMPFDJFAOOAGO-DTWKUNHWSA-N 0 0 172.268 2.105 10 0 AEAERN Cc1cc(-c2cccc[n+]2[O-])oc1C 584622778 352907596 /nfs/dbraw/zinc/90/75/96/352907596.db2.gz 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/nfs/dbraw/zinc/90/97/58/352909758.db2.gz QSEQAMRTSUWVCU-FSZOTQKASA-N 0 0 196.290 2.153 10 0 AEAERN COC(=O)[C@H]1CCCC[C@@H]1C1CC1 592144311 352918682 /nfs/dbraw/zinc/91/86/82/352918682.db2.gz CLVQTKGPLRTUTF-ZJUUUORDSA-N 0 0 182.263 2.376 10 0 AEAERN COC(=O)[C@@H]1CCCC[C@@H]1C1CC1 592144308 352918712 /nfs/dbraw/zinc/91/87/12/352918712.db2.gz CLVQTKGPLRTUTF-NXEZZACHSA-N 0 0 182.263 2.376 10 0 AEAERN COC(=O)[C@H]1CCCC[C@H]1C1CC1 592144309 352918716 /nfs/dbraw/zinc/91/87/16/352918716.db2.gz CLVQTKGPLRTUTF-UWVGGRQHSA-N 0 0 182.263 2.376 10 0 AEAERN COC(=O)[C@@H]1CCCC[C@H]1C1CC1 592144310 352918739 /nfs/dbraw/zinc/91/87/39/352918739.db2.gz CLVQTKGPLRTUTF-VHSXEESVSA-N 0 0 182.263 2.376 10 0 AEAERN CSC[C@H]1C[C@@H]2C[C@@H]2C1 596021972 352922675 /nfs/dbraw/zinc/92/26/75/352922675.db2.gz PUNTXVQLMYVFKN-RNLVFQAGSA-N 0 0 142.267 2.396 10 0 AEAERN C[C@@H](CO)SC[C@H]1C[C@@H]2C[C@@H]2C1 596024777 352922738 /nfs/dbraw/zinc/92/27/38/352922738.db2.gz YQXPJUOEUYYMFV-QEYWKRMJSA-N 0 0 186.320 2.147 10 0 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/nfs/dbraw/zinc/94/06/42/352940642.db2.gz CMKBCECURCXTSE-GXSJLCMTSA-N 0 0 195.306 2.481 10 0 AEAERN Cc1ccc(C(=O)NCCCCF)o1 643253868 352940646 /nfs/dbraw/zinc/94/06/46/352940646.db2.gz DCSWTBMQFAZZGB-UHFFFAOYSA-N 0 0 199.225 2.068 10 0 AEAERN CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@H]1C 643244728 352940673 /nfs/dbraw/zinc/94/06/73/352940673.db2.gz HUXPNXVUGCHFRI-GWOFURMSSA-N 0 0 195.306 2.337 10 0 AEAERN CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@@H]1C 643244730 352940675 /nfs/dbraw/zinc/94/06/75/352940675.db2.gz HUXPNXVUGCHFRI-ZDCRXTMVSA-N 0 0 195.306 2.337 10 0 AEAERN C[C@@H]1CC[C@H]1NC(=O)CCCC1CC1 643244714 352940685 /nfs/dbraw/zinc/94/06/85/352940685.db2.gz CMKBCECURCXTSE-MWLCHTKSSA-N 0 0 195.306 2.481 10 0 AEAERN O=C(NCCCCF)[C@H]1CC=CCC1 643253677 352940705 /nfs/dbraw/zinc/94/07/05/352940705.db2.gz XBOSZBUILTVFKE-JTQLQIEISA-N 0 0 199.269 2.209 10 0 AEAERN Cc1cc(C(=O)NCCCCF)co1 643253580 352940717 /nfs/dbraw/zinc/94/07/17/352940717.db2.gz ZRULFXOMRUVRNW-UHFFFAOYSA-N 0 0 199.225 2.068 10 0 AEAERN C[C@H]1CC[C@@H]1NC(=O)CCCC1CC1 643244715 352940719 /nfs/dbraw/zinc/94/07/19/352940719.db2.gz CMKBCECURCXTSE-ONGXEEELSA-N 0 0 195.306 2.481 10 0 AEAERN CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@@H]1C 643244729 352940753 /nfs/dbraw/zinc/94/07/53/352940753.db2.gz HUXPNXVUGCHFRI-LNFKQOIKSA-N 0 0 195.306 2.337 10 0 AEAERN O=C(NCCCCF)[C@@H]1CC=CCC1 643253678 352940756 /nfs/dbraw/zinc/94/07/56/352940756.db2.gz XBOSZBUILTVFKE-SNVBAGLBSA-N 0 0 199.269 2.209 10 0 AEAERN O=C(NCCCCF)[C@H]1CC12CCC2 643253635 352940792 /nfs/dbraw/zinc/94/07/92/352940792.db2.gz IMRFFDJSFBXESC-SECBINFHSA-N 0 0 199.269 2.043 10 0 AEAERN CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H]1C 643244727 352940842 /nfs/dbraw/zinc/94/08/42/352940842.db2.gz HUXPNXVUGCHFRI-DBIOUOCHSA-N 0 0 195.306 2.337 10 0 AEAERN O=C(NCCCCF)[C@@H]1CC12CCC2 643253636 352940860 /nfs/dbraw/zinc/94/08/60/352940860.db2.gz IMRFFDJSFBXESC-VIFPVBQESA-N 0 0 199.269 2.043 10 0 AEAERN C[C@@H]1CC[C@@H]1NC(=O)CCCC1CC1 643244713 352940874 /nfs/dbraw/zinc/94/08/74/352940874.db2.gz CMKBCECURCXTSE-KOLCDFICSA-N 0 0 195.306 2.481 10 0 AEAERN Cc1occc1C(=O)NCCCCF 643254124 352941525 /nfs/dbraw/zinc/94/15/25/352941525.db2.gz IGRJRPXZWXQLHZ-UHFFFAOYSA-N 0 0 199.225 2.068 10 0 AEAERN O=C(NCCCCF)C1=CCCCC1 643254120 352941540 /nfs/dbraw/zinc/94/15/40/352941540.db2.gz GUPPAWAXHCAIJG-UHFFFAOYSA-N 0 0 199.269 2.353 10 0 AEAERN Cc1ccoc1C(=O)NCCCCF 643254279 352941554 /nfs/dbraw/zinc/94/15/54/352941554.db2.gz MGJVPPFVNNDOQL-UHFFFAOYSA-N 0 0 199.225 2.068 10 0 AEAERN CC(C)[C@@H](C)C(=O)N1CC(C2CC2)C1 643286423 352943437 /nfs/dbraw/zinc/94/34/37/352943437.db2.gz WESLHECBHWMEAV-SECBINFHSA-N 0 0 195.306 2.147 10 0 AEAERN CC(C)[C@H](C)C(=O)N1CC(C2CC2)C1 643286424 352943147 /nfs/dbraw/zinc/94/31/47/352943147.db2.gz WESLHECBHWMEAV-VIFPVBQESA-N 0 0 195.306 2.147 10 0 AEAERN CCC(CC)C(=O)N1CC(C2CC2)C1 643285002 352943152 /nfs/dbraw/zinc/94/31/52/352943152.db2.gz VLEMXDDCBITIDC-UHFFFAOYSA-N 0 0 195.306 2.291 10 0 AEAERN 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/nfs/dbraw/zinc/80/35/62/409803562.db2.gz MQMLTKKXEQGQSI-JTQLQIEISA-N 0 0 193.294 2.495 10 0 AEAERN CO[C@@H](Cn1cc(C)cn1)C1CCC1 663978811 409803578 /nfs/dbraw/zinc/80/35/78/409803578.db2.gz KPFSZKZYHTWZBP-NSHDSACASA-N 0 0 194.278 2.007 10 0 AEAERN CO[C@H](Cn1cccn1)C1CCCC1 663979348 409803681 /nfs/dbraw/zinc/80/36/81/409803681.db2.gz OYFKZUOBGGAROE-LLVKDONJSA-N 0 0 194.278 2.088 10 0 AEAERN Cc1cc(OCC2CC=CC2)nn1C 663984284 409803862 /nfs/dbraw/zinc/80/38/62/409803862.db2.gz OERDGNFEJHGHBZ-UHFFFAOYSA-N 0 0 192.262 2.074 10 0 AEAERN CC1(C)CCCC[C@@H]1Cn1cncn1 663974941 409804014 /nfs/dbraw/zinc/80/40/14/409804014.db2.gz MQMLTKKXEQGQSI-SNVBAGLBSA-N 0 0 193.294 2.495 10 0 AEAERN Cc1cc(OCCC2CCC2)nn1C 663984477 409804052 /nfs/dbraw/zinc/80/40/52/409804052.db2.gz OUJZJLBACSLBQE-UHFFFAOYSA-N 0 0 194.278 2.298 10 0 AEAERN CCC(C)(C)CCn1cncn1 663973380 409804059 /nfs/dbraw/zinc/80/40/59/409804059.db2.gz GYJMWPGIEUJVRJ-UHFFFAOYSA-N 0 0 167.256 2.104 10 0 AEAERN c1cnn(CC23CCC(CC2)C3)c1 663978757 409804101 /nfs/dbraw/zinc/80/41/01/409804101.db2.gz JYGYXNJKUWYLNW-UHFFFAOYSA-N 0 0 176.263 2.463 10 0 AEAERN CC(C)=CCCOc1cc(C)n(C)n1 663983153 409804222 /nfs/dbraw/zinc/80/42/22/409804222.db2.gz BLGMHPOTNBFZCI-UHFFFAOYSA-N 0 0 194.278 2.464 10 0 AEAERN Cc1cnn(C[C@H]2C[C@@H]3C[C@@H]3C2)c1 663977761 409804297 /nfs/dbraw/zinc/80/42/97/409804297.db2.gz BMFXBFZHGIBOSE-JGPRNRPPSA-N 0 0 176.263 2.238 10 0 AEAERN Cc1cc(OCC2(C)CCC2)nn1C 663983101 409804506 /nfs/dbraw/zinc/80/45/06/409804506.db2.gz ADDCAXSFMURDMA-UHFFFAOYSA-N 0 0 194.278 2.298 10 0 AEAERN CO[C@@H](Cn1cccn1)C1CCCC1 663979350 409804547 /nfs/dbraw/zinc/80/45/47/409804547.db2.gz OYFKZUOBGGAROE-NSHDSACASA-N 0 0 194.278 2.088 10 0 AEAERN Cc1nc(SCCCF)[nH]c1C 378851397 409805190 /nfs/dbraw/zinc/80/51/90/409805190.db2.gz FUVXMZAUIYQQHW-UHFFFAOYSA-N 0 0 188.271 2.478 10 0 AEAERN CCC(C)(C)CCn1ncccc1=O 664017844 409805799 /nfs/dbraw/zinc/80/57/99/409805799.db2.gz GCTVBSJVCQUAFY-UHFFFAOYSA-N 0 0 194.278 2.070 10 0 AEAERN CCC(C)(C)CCn1ccncc1=O 664036455 409806266 /nfs/dbraw/zinc/80/62/66/409806266.db2.gz VMYFVXUHHUHCFG-UHFFFAOYSA-N 0 0 194.278 2.070 10 0 AEAERN Cn1cc(OCCCC2CCC2)cn1 663995194 409806716 /nfs/dbraw/zinc/80/67/16/409806716.db2.gz CCSFQPKCTZSQTH-UHFFFAOYSA-N 0 0 194.278 2.379 10 0 AEAERN CCc1ncn(CCC=C(C)C)n1 664041052 409806897 /nfs/dbraw/zinc/80/68/97/409806897.db2.gz COMJMUOGBZSUJF-UHFFFAOYSA-N 0 0 179.267 2.197 10 0 AEAERN CC(C)=CCCn1cc(F)ccc1=O 664015657 409807013 /nfs/dbraw/zinc/80/70/13/409807013.db2.gz GCTFGFMGRZYQIA-UHFFFAOYSA-N 0 0 195.237 2.344 10 0 AEAERN CC/C=C\CCn1cnc(CC)n1 664041141 409807179 /nfs/dbraw/zinc/80/71/79/409807179.db2.gz FVPABYOPGASUMB-WAYWQWQTSA-N 0 0 179.267 2.197 10 0 AEAERN CC/C=C/CCn1cnc(CC)n1 664041140 409807231 /nfs/dbraw/zinc/80/72/31/409807231.db2.gz FVPABYOPGASUMB-AATRIKPKSA-N 0 0 179.267 2.197 10 0 AEAERN CC(=O)c1ccn(CCC=C(C)C)n1 663996491 409807527 /nfs/dbraw/zinc/80/75/27/409807527.db2.gz DEDJWEPXELSCFJ-UHFFFAOYSA-N 0 0 192.262 2.442 10 0 AEAERN CC[C@H](C)Cn1cc2c(n1)CCOC2 664049406 409809032 /nfs/dbraw/zinc/80/90/32/409809032.db2.gz ICHPQPKPJNKLHY-VIFPVBQESA-N 0 0 194.278 2.002 10 0 AEAERN c1c2c(nn1C1CCCC1)CCOC2 664049398 409809071 /nfs/dbraw/zinc/80/90/71/409809071.db2.gz HWEWWJQJSFIQPA-UHFFFAOYSA-N 0 0 192.262 2.071 10 0 AEAERN CC[C@@H](C)Cn1cc2c(n1)CCOC2 664049405 409809264 /nfs/dbraw/zinc/80/92/64/409809264.db2.gz ICHPQPKPJNKLHY-SECBINFHSA-N 0 0 194.278 2.002 10 0 AEAERN CCCCCn1cc2c(n1)CCOC2 664048409 409809856 /nfs/dbraw/zinc/80/98/56/409809856.db2.gz HRPABUANDBIURN-UHFFFAOYSA-N 0 0 194.278 2.146 10 0 AEAERN CCC(C)(C)CCn1c(=O)ccn1C 664048491 409809914 /nfs/dbraw/zinc/80/99/14/409809914.db2.gz JJHRMODNOBNPLN-UHFFFAOYSA-N 0 0 196.294 2.013 10 0 AEAERN CCC(C)(C)CCOn1cccn1 664047890 409810586 /nfs/dbraw/zinc/81/05/86/409810586.db2.gz YBMUYAKPYWLWDF-UHFFFAOYSA-N 0 0 182.267 2.138 10 0 AEAERN CC(C)CCn1cc2c(n1)CCOC2 664049787 409810720 /nfs/dbraw/zinc/81/07/20/409810720.db2.gz ZHWNTYYWPLDAKD-UHFFFAOYSA-N 0 0 194.278 2.002 10 0 AEAERN c1cc(OCCC2CCC2)cnn1 664065956 409811764 /nfs/dbraw/zinc/81/17/64/409811764.db2.gz CVHJBCPKJKXVLU-UHFFFAOYSA-N 0 0 178.235 2.046 10 0 AEAERN CC(C)=CCCOc1ccnnc1 664066929 409811956 /nfs/dbraw/zinc/81/19/56/409811956.db2.gz SKIMSWFGVXZZJR-UHFFFAOYSA-N 0 0 178.235 2.212 10 0 AEAERN Cn1ccc(=O)n1CCCC(C)(C)C 664051096 409811976 /nfs/dbraw/zinc/81/19/76/409811976.db2.gz JBXMHNDKRNXTII-UHFFFAOYSA-N 0 0 196.294 2.013 10 0 AEAERN CC1(COc2ccnnc2)CCC1 664070102 409811984 /nfs/dbraw/zinc/81/19/84/409811984.db2.gz YVWMZKZHQDHYDY-UHFFFAOYSA-N 0 0 178.235 2.046 10 0 AEAERN CCC(CC)COc1ccnnc1 664066402 409811998 /nfs/dbraw/zinc/81/19/98/409811998.db2.gz LXHTUUGHLVGSSG-UHFFFAOYSA-N 0 0 180.251 2.292 10 0 AEAERN c1cc(OCC2CCCCC2)cnn1 664069625 409812032 /nfs/dbraw/zinc/81/20/32/409812032.db2.gz VEBGUQRJBGONIS-UHFFFAOYSA-N 0 0 192.262 2.436 10 0 AEAERN c1cc(OCCCC2CCC2)cnn1 664066674 409812278 /nfs/dbraw/zinc/81/22/78/409812278.db2.gz NYFNXOURAYJTJO-UHFFFAOYSA-N 0 0 192.262 2.436 10 0 AEAERN CC(C)(C)CCOc1ccnnc1 664068148 409812350 /nfs/dbraw/zinc/81/23/50/409812350.db2.gz IYYVRCDGLHWFRJ-UHFFFAOYSA-N 0 0 180.251 2.292 10 0 AEAERN CC(C)CCCOc1ccnnc1 664069096 409812400 /nfs/dbraw/zinc/81/24/00/409812400.db2.gz QKLLBEJUYSZZIX-UHFFFAOYSA-N 0 0 180.251 2.292 10 0 AEAERN c1cc(OCCC2CCCC2)cnn1 664069662 409812603 /nfs/dbraw/zinc/81/26/03/409812603.db2.gz VOOSZRRSZBVRQE-UHFFFAOYSA-N 0 0 192.262 2.436 10 0 AEAERN c1cnc2cnn(CCC3CC3)c2c1 664070805 409812786 /nfs/dbraw/zinc/81/27/86/409812786.db2.gz GUJGQLOTLRDSNN-UHFFFAOYSA-N 0 0 187.246 2.231 10 0 AEAERN c1cc(OCC2CCCC2)cnn1 664070074 409812841 /nfs/dbraw/zinc/81/28/41/409812841.db2.gz XWISDAJSAOPQMR-UHFFFAOYSA-N 0 0 178.235 2.046 10 0 AEAERN CC1(C)CC[C@@H](Oc2ccnnc2)C1 664066390 409812937 /nfs/dbraw/zinc/81/29/37/409812937.db2.gz LOBSIRJLDRPISQ-SECBINFHSA-N 0 0 192.262 2.434 10 0 AEAERN CC1(C)CC[C@H](Oc2ccnnc2)C1 664066391 409813206 /nfs/dbraw/zinc/81/32/06/409813206.db2.gz LOBSIRJLDRPISQ-VIFPVBQESA-N 0 0 192.262 2.434 10 0 AEAERN CCCCCOc1ccnnc1 664069116 409813264 /nfs/dbraw/zinc/81/32/64/409813264.db2.gz QXPVTLJZDFQPCA-UHFFFAOYSA-N 0 0 166.224 2.046 10 0 AEAERN C=Cc1ccccc1OCC[C@@H](C)O 664082887 409814303 /nfs/dbraw/zinc/81/43/03/409814303.db2.gz LYLLUCKWXCQMQR-SNVBAGLBSA-N 0 0 192.258 2.479 10 0 AEAERN C=Cc1ccccc1OCCOC 664080884 409814819 /nfs/dbraw/zinc/81/48/19/409814819.db2.gz XWKAGKZZRHUZRV-UHFFFAOYSA-N 0 0 178.231 2.355 10 0 AEAERN C=Cc1ccccc1OCC[C@H](C)O 664082886 409814946 /nfs/dbraw/zinc/81/49/46/409814946.db2.gz LYLLUCKWXCQMQR-JTQLQIEISA-N 0 0 192.258 2.479 10 0 AEAERN Cc1cn(C[C@@H]2CC[C@H]3C[C@H]3C2)nn1 664084045 409815111 /nfs/dbraw/zinc/81/51/11/409815111.db2.gz KXYJJVAUYYBWHX-OUAUKWLOSA-N 0 0 191.278 2.023 10 0 AEAERN Cc1cn(C[C@@H]2CC[C@@H]3C[C@@H]3C2)nn1 664084043 409815121 /nfs/dbraw/zinc/81/51/21/409815121.db2.gz KXYJJVAUYYBWHX-MXWKQRLJSA-N 0 0 191.278 2.023 10 0 AEAERN Cc1cn(C[C@@H](C)CC(C)C)nn1 664083800 409815707 /nfs/dbraw/zinc/81/57/07/409815707.db2.gz DWBMBKMSPSXKDG-VIFPVBQESA-N 0 0 181.283 2.269 10 0 AEAERN Cc1cn(C[C@H](C)CC(C)C)nn1 664083799 409815891 /nfs/dbraw/zinc/81/58/91/409815891.db2.gz DWBMBKMSPSXKDG-SECBINFHSA-N 0 0 181.283 2.269 10 0 AEAERN Cc1ncn(C[C@@H]2CC[C@H]3C[C@H]3C2)n1 664085506 409817043 /nfs/dbraw/zinc/81/70/43/409817043.db2.gz NTFBHUGSHHSYJA-OUAUKWLOSA-N 0 0 191.278 2.023 10 0 AEAERN Cc1cn(CC23CCC(CC2)C3)nn1 664084503 409817110 /nfs/dbraw/zinc/81/71/10/409817110.db2.gz XVDINVUTKZNFPS-UHFFFAOYSA-N 0 0 191.278 2.167 10 0 AEAERN Cc1ncn(C[C@@H]2CCCC[C@H]2C)n1 664084977 409817268 /nfs/dbraw/zinc/81/72/68/409817268.db2.gz GYSPBKSBHMNMHL-KOLCDFICSA-N 0 0 193.294 2.413 10 0 AEAERN CCC(C)(C)CCn1cnc(C)n1 664084863 409817319 /nfs/dbraw/zinc/81/73/19/409817319.db2.gz GNNXPUFEGPZKSF-UHFFFAOYSA-N 0 0 181.283 2.413 10 0 AEAERN Cc1ncn(C[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 664085504 409817496 /nfs/dbraw/zinc/81/74/96/409817496.db2.gz NTFBHUGSHHSYJA-MXWKQRLJSA-N 0 0 191.278 2.023 10 0 AEAERN Cc1ncn(C[C@H]2CCCC[C@H]2C)n1 664084978 409817584 /nfs/dbraw/zinc/81/75/84/409817584.db2.gz GYSPBKSBHMNMHL-MWLCHTKSSA-N 0 0 193.294 2.413 10 0 AEAERN Cc1ncn(C[C@H]2CCCC[C@@H]2C)n1 664084876 409817821 /nfs/dbraw/zinc/81/78/21/409817821.db2.gz GYSPBKSBHMNMHL-GXSJLCMTSA-N 0 0 193.294 2.413 10 0 AEAERN Cc1ncn(CCC(C)(C)C2CC2)n1 664085645 409817994 /nfs/dbraw/zinc/81/79/94/409817994.db2.gz PNBGXUCEMNZFCO-UHFFFAOYSA-N 0 0 193.294 2.413 10 0 AEAERN Cc1ncn(C[C@@H]2CCCC[C@@H]2C)n1 664084979 409818180 /nfs/dbraw/zinc/81/81/80/409818180.db2.gz GYSPBKSBHMNMHL-ONGXEEELSA-N 0 0 193.294 2.413 10 0 AEAERN Cc1ncn(CC23CCC(CC2)C3)n1 664084843 409818374 /nfs/dbraw/zinc/81/83/74/409818374.db2.gz GBBJIDXHKKFLCF-UHFFFAOYSA-N 0 0 191.278 2.167 10 0 AEAERN CCc1cnn(C[C@H]2C[C@@H]3C[C@@H]3C2)c1 664105166 409819335 /nfs/dbraw/zinc/81/93/35/409819335.db2.gz PQRKDYYMQKKPFQ-ZSBIGDGJSA-N 0 0 190.290 2.492 10 0 AEAERN CCCCCn1cc(C2CC2)nn1 664121641 409819692 /nfs/dbraw/zinc/81/96/92/409819692.db2.gz DWYOJSVEKJSZQO-UHFFFAOYSA-N 0 0 179.267 2.346 10 0 AEAERN Cc1c[nH]nc1COCCC1CCC1 664101799 409819732 /nfs/dbraw/zinc/81/97/32/409819732.db2.gz HHFAHHMKPCTAIF-UHFFFAOYSA-N 0 0 194.278 2.425 10 0 AEAERN CC(C)=CCn1cc(C2CC2)nn1 664121371 409819960 /nfs/dbraw/zinc/81/99/60/409819960.db2.gz BIJMDQZZFOGHDM-UHFFFAOYSA-N 0 0 177.251 2.122 10 0 AEAERN Cc1c[nH]nc1COCC1(C)CCC1 664101899 409820231 /nfs/dbraw/zinc/82/02/31/409820231.db2.gz JDGUGLWEMGSJOU-UHFFFAOYSA-N 0 0 194.278 2.425 10 0 AEAERN Cc1c[nH]nc1COCC1CC=CC1 664102318 409820496 /nfs/dbraw/zinc/82/04/96/409820496.db2.gz LTBDMMBNRPHTOO-UHFFFAOYSA-N 0 0 192.262 2.201 10 0 AEAERN CC[C@@H](C)CCNc1cccnn1 664228068 409821862 /nfs/dbraw/zinc/82/18/62/409821862.db2.gz KZRGBRQMIMTRSP-SECBINFHSA-N 0 0 179.267 2.325 10 0 AEAERN CC[C@H](C)CCNc1cccnn1 664228069 409823314 /nfs/dbraw/zinc/82/33/14/409823314.db2.gz KZRGBRQMIMTRSP-VIFPVBQESA-N 0 0 179.267 2.325 10 0 AEAERN O=C(c1ccc(F)s1)N1CCCC1 665068603 409836924 /nfs/dbraw/zinc/83/69/24/409836924.db2.gz DJJABWWRGYDTDS-UHFFFAOYSA-N 0 0 199.250 2.123 10 0 AEAERN COCCCSc1ccccn1 379331235 409825970 /nfs/dbraw/zinc/82/59/70/409825970.db2.gz CUBMBDBVEVLHJG-UHFFFAOYSA-N 0 0 183.276 2.210 10 0 AEAERN Cc1cc(NCCC(C)(C)F)ncn1 664369904 409825996 /nfs/dbraw/zinc/82/59/96/409825996.db2.gz BPDISHWEICEBKW-UHFFFAOYSA-N 0 0 197.257 2.335 10 0 AEAERN CC(C)(F)CCNc1cccnn1 664372356 409826080 /nfs/dbraw/zinc/82/60/80/409826080.db2.gz WSTTYBOTPMGHSD-UHFFFAOYSA-N 0 0 183.230 2.027 10 0 AEAERN CCO[C@H]1C[C@H](Nc2ccccn2)C1 664281102 409826474 /nfs/dbraw/zinc/82/64/74/409826474.db2.gz MGXCJRFBZGQFEW-MGCOHNPYSA-N 0 0 192.262 2.061 10 0 AEAERN CCCCCn1nc(C)nc1C 379326634 409827029 /nfs/dbraw/zinc/82/70/29/409827029.db2.gz AFLHIXIQSZZGMA-UHFFFAOYSA-N 0 0 167.256 2.085 10 0 AEAERN Cc1cnc(N[C@@]2(C)CC2(C)C)nc1 664551095 409827804 /nfs/dbraw/zinc/82/78/04/409827804.db2.gz RQUXCCTZQWDYRX-NSHDSACASA-N 0 0 191.278 2.386 10 0 AEAERN CC1(C)C[C@@]1(C)Nc1ncc(F)cn1 664549168 409828073 /nfs/dbraw/zinc/82/80/73/409828073.db2.gz GJOYSTDILHNUAT-SNVBAGLBSA-N 0 0 195.241 2.216 10 0 AEAERN CC1(C)C[C@]1(C)Nc1ncc(F)cn1 664549167 409828158 /nfs/dbraw/zinc/82/81/58/409828158.db2.gz GJOYSTDILHNUAT-JTQLQIEISA-N 0 0 195.241 2.216 10 0 AEAERN Cc1cnc(N[C@]2(C)CC2(C)C)nc1 664551094 409828933 /nfs/dbraw/zinc/82/89/33/409828933.db2.gz RQUXCCTZQWDYRX-LLVKDONJSA-N 0 0 191.278 2.386 10 0 AEAERN c1cnnc(NCCCC2CCC2)c1 664395069 409829000 /nfs/dbraw/zinc/82/90/00/409829000.db2.gz JSJJVDYUXSPOEO-UHFFFAOYSA-N 0 0 191.278 2.469 10 0 AEAERN Cc1c[nH]c(=NCCCCF)s1 379338307 409829433 /nfs/dbraw/zinc/82/94/33/409829433.db2.gz ICMKXTJEEFGYDF-UHFFFAOYSA-N 0 0 188.271 2.035 10 0 AEAERN FCCCCNc1ncccc1F 379349151 409829867 /nfs/dbraw/zinc/82/98/67/409829867.db2.gz NPWJLCMFWHNMQP-UHFFFAOYSA-N 0 0 186.205 2.382 10 0 AEAERN CC12CC(CN1c1ccc(F)cn1)C2 664697083 409831161 /nfs/dbraw/zinc/83/11/61/409831161.db2.gz VBZJZSLGGLGASX-UHFFFAOYSA-N 0 0 192.237 2.209 10 0 AEAERN CC12CC(CN1c1ncccc1F)C2 664694930 409831197 /nfs/dbraw/zinc/83/11/97/409831197.db2.gz XBRHJERWTWNVND-UHFFFAOYSA-N 0 0 192.237 2.209 10 0 AEAERN CC12CC(CN1c1ccccn1)C2 664692551 409831212 /nfs/dbraw/zinc/83/12/12/409831212.db2.gz NUGGVMXWDSVQPU-UHFFFAOYSA-N 0 0 174.247 2.070 10 0 AEAERN Cc1ccnc(N2CC3CC2(C)C3)c1 664694053 409831260 /nfs/dbraw/zinc/83/12/60/409831260.db2.gz QPFHHZBAXSZZRB-UHFFFAOYSA-N 0 0 188.274 2.379 10 0 AEAERN Cc1cnc(N2CC3CC2(C)C3)s1 664693285 409831328 /nfs/dbraw/zinc/83/13/28/409831328.db2.gz JOPNMGVRQPGYIW-UHFFFAOYSA-N 0 0 194.303 2.440 10 0 AEAERN Cc1cccc(N2CC3CC2(C)C3)n1 664693055 409831814 /nfs/dbraw/zinc/83/18/14/409831814.db2.gz HHJQIQQLKLBOBK-UHFFFAOYSA-N 0 0 188.274 2.379 10 0 AEAERN Cc1cncc(NC2CC(C)(C)C2)n1 664629765 409832021 /nfs/dbraw/zinc/83/20/21/409832021.db2.gz VTIXSDLXKZTIAG-UHFFFAOYSA-N 0 0 191.278 2.386 10 0 AEAERN CC[N@H+](CC=C(C)C)[C@H]1CCOC1 379363000 409832971 /nfs/dbraw/zinc/83/29/71/409832971.db2.gz IYGYWIQQYSDWGI-NSHDSACASA-N 0 0 183.295 2.063 10 0 AEAERN CC[N@H+](CC=C(C)C)[C@@H]1CCOC1 379362999 409833523 /nfs/dbraw/zinc/83/35/23/409833523.db2.gz IYGYWIQQYSDWGI-LLVKDONJSA-N 0 0 183.295 2.063 10 0 AEAERN CC1(c2noc(CCCF)n2)CC1 664899981 409833753 /nfs/dbraw/zinc/83/37/53/409833753.db2.gz RZQXTTBOIZUXMW-UHFFFAOYSA-N 0 0 184.214 2.023 10 0 AEAERN CCn1nc(C)cc1-c1nccs1 665213522 409849648 /nfs/dbraw/zinc/84/96/48/409849648.db2.gz WZZANMYGJCWVTB-UHFFFAOYSA-N 0 0 193.275 2.335 10 0 AEAERN CC1(C)CC[C@H]1C(=O)N1CCCCC1 665058950 409836838 /nfs/dbraw/zinc/83/68/38/409836838.db2.gz ZHSDJWMYRCBFKQ-JTQLQIEISA-N 0 0 195.306 2.435 10 0 AEAERN CCCCCNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 665060731 409836909 /nfs/dbraw/zinc/83/69/09/409836909.db2.gz YUQHGCPGWFZOML-URLYPYJESA-N 0 0 195.306 2.339 10 0 AEAERN CC[C@H](C)NC(=O)[C@@H]1CCC[C@H]2C[C@H]21 665061527 409836953 /nfs/dbraw/zinc/83/69/53/409836953.db2.gz QQRIOZYXQSCHQT-UKKRHICBSA-N 0 0 195.306 2.337 10 0 AEAERN O=C([C@@H]1C[C@@H]2C[C@@H]2C1)N1CCCCC1 665058743 409836984 /nfs/dbraw/zinc/83/69/84/409836984.db2.gz WKIARKZPPVJYHR-URLYPYJESA-N 0 0 193.290 2.045 10 0 AEAERN CC1(C)CC[C@@H]1C(=O)N1CCCCC1 665058952 409837190 /nfs/dbraw/zinc/83/71/90/409837190.db2.gz ZHSDJWMYRCBFKQ-SNVBAGLBSA-N 0 0 195.306 2.435 10 0 AEAERN CC[C@H](C)NC(=O)[C@@H]1CCC1(C)C 665061625 409837286 /nfs/dbraw/zinc/83/72/86/409837286.db2.gz SHIHCNOFNRBABN-IUCAKERBSA-N 0 0 183.295 2.337 10 0 AEAERN CC[C@H](C)NC(=O)[C@H]1CCC1(C)C 665061624 409837406 /nfs/dbraw/zinc/83/74/06/409837406.db2.gz SHIHCNOFNRBABN-DTWKUNHWSA-N 0 0 183.295 2.337 10 0 AEAERN CC[C@H](C)NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 665061528 409837461 /nfs/dbraw/zinc/83/74/61/409837461.db2.gz QQRIOZYXQSCHQT-ZDCRXTMVSA-N 0 0 195.306 2.337 10 0 AEAERN CC[C@@H](C)NC(=O)[C@H]1CCC1(C)C 665061626 409837542 /nfs/dbraw/zinc/83/75/42/409837542.db2.gz SHIHCNOFNRBABN-RKDXNWHRSA-N 0 0 183.295 2.337 10 0 AEAERN CC[C@@H](C)NC(=O)[C@@H]1CCC1(C)C 665061623 409837987 /nfs/dbraw/zinc/83/79/87/409837987.db2.gz SHIHCNOFNRBABN-BDAKNGLRSA-N 0 0 183.295 2.337 10 0 AEAERN CC(C)NC(=O)c1ccc(F)s1 665053149 409838184 /nfs/dbraw/zinc/83/81/84/409838184.db2.gz SBZHYXXQDSABMA-UHFFFAOYSA-N 0 0 187.239 2.025 10 0 AEAERN Cc1ccoc1CNCC1(F)CC1 379384401 409838736 /nfs/dbraw/zinc/83/87/36/409838736.db2.gz NZMSSIGBBXNJIP-UHFFFAOYSA-N 0 0 183.226 2.180 10 0 AEAERN CCCCNC(=O)[C@@H]1CCC1(C)C 665098015 409838884 /nfs/dbraw/zinc/83/88/84/409838884.db2.gz KOLRNDYNYFVHOY-VIFPVBQESA-N 0 0 183.295 2.339 10 0 AEAERN CC1(C)CC[C@@H]1C(=O)N1CCCC1 665073354 409839306 /nfs/dbraw/zinc/83/93/06/409839306.db2.gz QNVAVQUALXVNEZ-SECBINFHSA-N 0 0 181.279 2.045 10 0 AEAERN O=C([C@@H]1CCC[C@H]2C[C@H]21)N1CCCC1 665072702 409839480 /nfs/dbraw/zinc/83/94/80/409839480.db2.gz GZZPKCMZVSOUCT-HBNTYKKESA-N 0 0 193.290 2.045 10 0 AEAERN CCCCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 665097985 409839572 /nfs/dbraw/zinc/83/95/72/409839572.db2.gz KIDGIVGONFJWBH-MXWKQRLJSA-N 0 0 195.306 2.339 10 0 AEAERN O=C([C@@H]1CCC[C@@H]2C[C@@H]21)N1CCCC1 665072703 409839545 /nfs/dbraw/zinc/83/95/45/409839545.db2.gz GZZPKCMZVSOUCT-MXWKQRLJSA-N 0 0 193.290 2.045 10 0 AEAERN CCCCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 665097984 409839579 /nfs/dbraw/zinc/83/95/79/409839579.db2.gz KIDGIVGONFJWBH-HBNTYKKESA-N 0 0 195.306 2.339 10 0 AEAERN CCN(CC)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 665094276 409839714 /nfs/dbraw/zinc/83/97/14/409839714.db2.gz SILKUEYNFYFDTM-MXWKQRLJSA-N 0 0 195.306 2.291 10 0 AEAERN CCCCNC(=O)[C@H]1CCC1(C)C 665098013 409840053 /nfs/dbraw/zinc/84/00/53/409840053.db2.gz KOLRNDYNYFVHOY-SECBINFHSA-N 0 0 183.295 2.339 10 0 AEAERN CC1(C)CC[C@H]1C(=O)N1CCCC1 665073356 409840134 /nfs/dbraw/zinc/84/01/34/409840134.db2.gz QNVAVQUALXVNEZ-VIFPVBQESA-N 0 0 181.279 2.045 10 0 AEAERN CCN(CC)C(=O)[C@@H]1CCC1(C)C 665093700 409840270 /nfs/dbraw/zinc/84/02/70/409840270.db2.gz HWICYNWEKCZWER-VIFPVBQESA-N 0 0 183.295 2.291 10 0 AEAERN CCN(CC)C(=O)[C@H]1CCC1(C)C 665093699 409840280 /nfs/dbraw/zinc/84/02/80/409840280.db2.gz HWICYNWEKCZWER-SECBINFHSA-N 0 0 183.295 2.291 10 0 AEAERN CCN(CC)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 665094275 409840651 /nfs/dbraw/zinc/84/06/51/409840651.db2.gz SILKUEYNFYFDTM-HBNTYKKESA-N 0 0 195.306 2.291 10 0 AEAERN CCNC(=O)C1CCC(C2CC2)CC1 665112582 409841136 /nfs/dbraw/zinc/84/11/36/409841136.db2.gz CNUVPRFBUYAPMA-UHFFFAOYSA-N 0 0 195.306 2.339 10 0 AEAERN CCNC(=O)C1[C@H]2CCCCCC[C@H]12 665112573 409841196 /nfs/dbraw/zinc/84/11/96/409841196.db2.gz CHJZIYXSJNQZGP-UWVGGRQHSA-N 0 0 195.306 2.339 10 0 AEAERN CCNC(=O)c1c(C)cc(F)cc1C 665112558 409841287 /nfs/dbraw/zinc/84/12/87/409841287.db2.gz BWNJRWHIUMUIBL-UHFFFAOYSA-N 0 0 195.237 2.192 10 0 AEAERN CCNC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 665112572 409841564 /nfs/dbraw/zinc/84/15/64/409841564.db2.gz CHJZIYXSJNQZGP-URLYPYJESA-N 0 0 195.306 2.339 10 0 AEAERN CCNC(=O)C1[C@@H]2CCCCCC[C@@H]12 665112571 409841654 /nfs/dbraw/zinc/84/16/54/409841654.db2.gz CHJZIYXSJNQZGP-NXEZZACHSA-N 0 0 195.306 2.339 10 0 AEAERN CCNC(=O)c1c(F)cc(C)cc1F 665113004 409841897 /nfs/dbraw/zinc/84/18/97/409841897.db2.gz GTWZRJFGFLJFFF-UHFFFAOYSA-N 0 0 199.200 2.023 10 0 AEAERN CC(C)CCNC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 665109425 409842675 /nfs/dbraw/zinc/84/26/75/409842675.db2.gz ABYITQOTELUODW-URLYPYJESA-N 0 0 195.306 2.195 10 0 AEAERN CCNC(=O)C1CC2(CCCCC2)C1 665113357 409842741 /nfs/dbraw/zinc/84/27/41/409842741.db2.gz IXIRSXAPHBPYHI-UHFFFAOYSA-N 0 0 195.306 2.483 10 0 AEAERN CC1=CC[C@](C)(C(=O)NC2CC2)CC1 665123367 409843820 /nfs/dbraw/zinc/84/38/20/409843820.db2.gz DXWHBAVKDOXMFG-LBPRGKRZSA-N 0 0 193.290 2.402 10 0 AEAERN O=C(NC1CC1)[C@H]1CCCC2(CC2)C1 665124818 409843874 /nfs/dbraw/zinc/84/38/74/409843874.db2.gz XZPMYUXFJPUVNR-VIFPVBQESA-N 0 0 193.290 2.235 10 0 AEAERN CC1=CC[C@@](C)(C(=O)NC2CC2)CC1 665123366 409843885 /nfs/dbraw/zinc/84/38/85/409843885.db2.gz DXWHBAVKDOXMFG-GFCCVEGCSA-N 0 0 193.290 2.402 10 0 AEAERN O=C(NC1CCCC1)[C@@H]1C[C@@H]2C[C@@H]2C1 665129776 409844251 /nfs/dbraw/zinc/84/42/51/409844251.db2.gz DWKWHPISGGHZMH-MYJAWHEDSA-N 0 0 193.290 2.091 10 0 AEAERN CCNC(=O)C(C)(C)CC(F)(F)F 665114004 409844349 /nfs/dbraw/zinc/84/43/49/409844349.db2.gz SLAUDUGVWRYZES-UHFFFAOYSA-N 0 0 197.200 2.101 10 0 AEAERN CC(C)CNC(=O)[C@@H]1CCC1(C)C 665127244 409844666 /nfs/dbraw/zinc/84/46/66/409844666.db2.gz IIJFLACHKWNSNO-VIFPVBQESA-N 0 0 183.295 2.195 10 0 AEAERN O=C(NC1CC1)[C@@H]1CCCC2(CC2)C1 665124817 409844782 /nfs/dbraw/zinc/84/47/82/409844782.db2.gz XZPMYUXFJPUVNR-SECBINFHSA-N 0 0 193.290 2.235 10 0 AEAERN CC1(C)CC[C@H]1C(=O)NC1CCCC1 665131145 409844806 /nfs/dbraw/zinc/84/48/06/409844806.db2.gz OKIPPYQTVKRSSC-JTQLQIEISA-N 0 0 195.306 2.481 10 0 AEAERN CC(C)CNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 665126827 409844828 /nfs/dbraw/zinc/84/48/28/409844828.db2.gz DKMJYNWLVKINJE-HBNTYKKESA-N 0 0 195.306 2.195 10 0 AEAERN CCc1nsc(-c2ccco2)n1 665126507 409844873 /nfs/dbraw/zinc/84/48/73/409844873.db2.gz CGPYPGOTNINWMJ-UHFFFAOYSA-N 0 0 180.232 2.361 10 0 AEAERN CCNC(=O)[C@@]1(C)CC=C(C)CC1 665114150 409844993 /nfs/dbraw/zinc/84/49/93/409844993.db2.gz VGVGYZPFQRUQEM-NSHDSACASA-N 0 0 181.279 2.259 10 0 AEAERN CC1(C)CC[C@@H]1C(=O)NC1CCCC1 665131147 409845058 /nfs/dbraw/zinc/84/50/58/409845058.db2.gz OKIPPYQTVKRSSC-SNVBAGLBSA-N 0 0 195.306 2.481 10 0 AEAERN CC(C)CNC(=O)[C@H]1CCC1(C)C 665127242 409845086 /nfs/dbraw/zinc/84/50/86/409845086.db2.gz IIJFLACHKWNSNO-SECBINFHSA-N 0 0 183.295 2.195 10 0 AEAERN CC(C)CNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 665126828 409845126 /nfs/dbraw/zinc/84/51/26/409845126.db2.gz DKMJYNWLVKINJE-MXWKQRLJSA-N 0 0 195.306 2.195 10 0 AEAERN CCNC(=O)[C@]1(C)CC=C(C)CC1 665114149 409845241 /nfs/dbraw/zinc/84/52/41/409845241.db2.gz VGVGYZPFQRUQEM-LLVKDONJSA-N 0 0 181.279 2.259 10 0 AEAERN CC(C)[C@@H](C)C(=O)NCCCCF 379416823 409845916 /nfs/dbraw/zinc/84/59/16/409845916.db2.gz SKSWXBGTFHPVPJ-SECBINFHSA-N 0 0 189.274 2.144 10 0 AEAERN CCCNC(=O)[C@H]1CCCC2(CC2)C1 665154742 409846423 /nfs/dbraw/zinc/84/64/23/409846423.db2.gz KXTURZJOQHIJOH-JTQLQIEISA-N 0 0 195.306 2.483 10 0 AEAERN Cc1nc(-c2cccc3c2CCC3)n[nH]1 665188008 409846930 /nfs/dbraw/zinc/84/69/30/409846930.db2.gz IDHZHAVDUIGOQT-UHFFFAOYSA-N 0 0 199.257 2.269 10 0 AEAERN Cc1nn(CCCCCF)c(C)c1N 379486527 409847153 /nfs/dbraw/zinc/84/71/53/409847153.db2.gz JCVKLWXQZJIIAU-UHFFFAOYSA-N 0 0 199.273 2.222 10 0 AEAERN CCCNC(=O)c1ccc(F)s1 665154316 409847251 /nfs/dbraw/zinc/84/72/51/409847251.db2.gz GSDKUWDPYUZJDN-UHFFFAOYSA-N 0 0 187.239 2.027 10 0 AEAERN CC(C)[C@H](C)C(=O)NCCCCF 379416824 409847359 /nfs/dbraw/zinc/84/73/59/409847359.db2.gz SKSWXBGTFHPVPJ-VIFPVBQESA-N 0 0 189.274 2.144 10 0 AEAERN CCCNC(=O)[C@@H]1CCCC2(CC2)C1 665154743 409847371 /nfs/dbraw/zinc/84/73/71/409847371.db2.gz KXTURZJOQHIJOH-SNVBAGLBSA-N 0 0 195.306 2.483 10 0 AEAERN Cc1noc(C)c1-c1cc(CO)co1 665148016 409847545 /nfs/dbraw/zinc/84/75/45/409847545.db2.gz CDGZVZZUMORELK-UHFFFAOYSA-N 0 0 193.202 2.044 10 0 AEAERN Cc1cnc(-c2cn(C)nc2C)s1 665163085 409847602 /nfs/dbraw/zinc/84/76/02/409847602.db2.gz BMJDYBVYBDBUKB-UHFFFAOYSA-N 0 0 193.275 2.160 10 0 AEAERN CCC(CC)NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 665134387 409847684 /nfs/dbraw/zinc/84/76/84/409847684.db2.gz JOMWIYBRMGTDHG-MYJAWHEDSA-N 0 0 195.306 2.337 10 0 AEAERN c1cc2c(c(-c3nnco3)c1)CCC2 665187269 409847766 /nfs/dbraw/zinc/84/77/66/409847766.db2.gz ACXBRBNOBGMHBB-UHFFFAOYSA-N 0 0 186.214 2.225 10 0 AEAERN CCn1nc(C)cc1-c1ccccn1 665213311 409848616 /nfs/dbraw/zinc/84/86/16/409848616.db2.gz ROIFETFQXZASKR-UHFFFAOYSA-N 0 0 187.246 2.273 10 0 AEAERN CCn1nc(C)cc1-c1cnsc1 665214519 409848643 /nfs/dbraw/zinc/84/86/43/409848643.db2.gz ZVPDJGQNRLETQK-UHFFFAOYSA-N 0 0 193.275 2.335 10 0 AEAERN Cc1nnc(-c2cocc2C)s1 665198626 409848856 /nfs/dbraw/zinc/84/88/56/409848856.db2.gz GIZKGISJKLCBJI-UHFFFAOYSA-N 0 0 180.232 2.415 10 0 AEAERN Cc1coc(-c2nc(C)ns2)c1 665192461 409849140 /nfs/dbraw/zinc/84/91/40/409849140.db2.gz OJLHBINATWBPAD-UHFFFAOYSA-N 0 0 180.232 2.415 10 0 AEAERN CCn1nccc1-c1coc(C)c1 665204934 409849298 /nfs/dbraw/zinc/84/92/98/409849298.db2.gz STJLJJRJPXSFRP-UHFFFAOYSA-N 0 0 176.219 2.471 10 0 AEAERN Cc1cocc1-c1cc(C)n(C)n1 665198520 409849494 /nfs/dbraw/zinc/84/94/94/409849494.db2.gz CMKIILMABHSVPJ-UHFFFAOYSA-N 0 0 176.219 2.297 10 0 AEAERN CCn1nc(C)cc1-c1nc(C)co1 665213356 409849545 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C[C@H](O)C1(C[C@@H]2CCC(C)(C)O2)CC1 235529242 573205844 /nfs/dbraw/zinc/20/58/44/573205844.db2.gz DLLNUMYESXPTCJ-UWVGGRQHSA-N 0 0 198.306 2.495 10 0 AEAERN COc1cc(N(C)C)ccc1Cl 223935440 573205912 /nfs/dbraw/zinc/20/59/12/573205912.db2.gz LFWDFMZDRGNNNR-UHFFFAOYSA-N 0 0 185.654 2.415 10 0 AEAERN CCO[C@@H](C)c1ccc[nH]1 104709180 573205949 /nfs/dbraw/zinc/20/59/49/573205949.db2.gz ROZFWKTWOLLNRL-ZETCQYMHSA-N 0 0 139.198 2.112 10 0 AEAERN CCc1cc2c(o1)CC[C@@H](O)CC2 238312883 573205973 /nfs/dbraw/zinc/20/59/73/573205973.db2.gz JYRPPQGYFHJDKQ-VIFPVBQESA-N 0 0 180.247 2.082 10 0 AEAERN Cc1c(N)cnc2cc(F)ccc12 257970443 573205983 /nfs/dbraw/zinc/20/59/83/573205983.db2.gz YOAFWVTWMBTCPQ-UHFFFAOYSA-N 0 0 176.194 2.265 10 0 AEAERN CCc1cc2c(cc1OC)C(=O)CC2 238312499 573208517 /nfs/dbraw/zinc/20/85/17/573208517.db2.gz JRKRINOKHCBKIU-UHFFFAOYSA-N 0 0 190.242 2.387 10 0 AEAERN C[C@H](O)C[C@H](C)c1ccco1 82812308 573208524 /nfs/dbraw/zinc/20/85/24/573208524.db2.gz UDLFJGXKTKOBEL-YUMQZZPRSA-N 0 0 154.209 2.154 10 0 AEAERN C[C@H](O)C[C@@H](C)c1ccoc1 82811901 573208556 /nfs/dbraw/zinc/20/85/56/573208556.db2.gz DMFPKDNLEGLYHS-SFYZADRCSA-N 0 0 154.209 2.154 10 0 AEAERN Cc1cccc(SC[C@@H](C)O)c1N 85936803 573209359 /nfs/dbraw/zinc/20/93/59/573209359.db2.gz LIJHDWYFZVOXNW-MRVPVSSYSA-N 0 0 197.303 2.050 10 0 AEAERN Cc1ncc([C@H](O)c2ccco2)s1 235961397 573208614 /nfs/dbraw/zinc/20/86/14/573208614.db2.gz WODSEDPDKIBUAL-SECBINFHSA-N 0 0 195.243 2.126 10 0 AEAERN NOCCc1cc2ccoc2cc1F 257964978 573208616 /nfs/dbraw/zinc/20/86/16/573208616.db2.gz CDPMUNWTXYEAHS-UHFFFAOYSA-N 0 0 195.193 2.005 10 0 AEAERN FCCCn1ccc(C(F)(F)F)n1 132075703 573208622 /nfs/dbraw/zinc/20/86/22/573208622.db2.gz MHMFHZBHMIIYTQ-UHFFFAOYSA-N 0 0 196.147 2.262 10 0 AEAERN CCC[C@H](C)Oc1cnn(CC)c1 233343343 573208631 /nfs/dbraw/zinc/20/86/31/573208631.db2.gz IIQRPKZPUHKRDJ-VIFPVBQESA-N 0 0 182.267 2.470 10 0 AEAERN Cc1cc(-c2ocnc2CO)c(C)o1 85942417 573208644 /nfs/dbraw/zinc/20/86/44/573208644.db2.gz KDSMGHXTUDNSGE-UHFFFAOYSA-N 0 0 193.202 2.044 10 0 AEAERN Cc1cncc(-c2ccoc2C=O)c1 235931733 573208667 /nfs/dbraw/zinc/20/86/67/573208667.db2.gz WCMBUKSKUJLCGG-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN C=C(SC)c1cc[nH]c1 104707390 573208683 /nfs/dbraw/zinc/20/86/83/573208683.db2.gz DGIKMPORGBHSHI-UHFFFAOYSA-N 0 0 139.223 2.348 10 0 AEAERN COCCSc1cc(C)ccc1N 85930427 573208688 /nfs/dbraw/zinc/20/86/88/573208688.db2.gz KLHOZTJIZWSXLH-UHFFFAOYSA-N 0 0 197.303 2.316 10 0 AEAERN NOCCc1cccc(C(F)F)c1 257964764 573208747 /nfs/dbraw/zinc/20/87/47/573208747.db2.gz CASYBWYEHFYYBI-UHFFFAOYSA-N 0 0 187.189 2.057 10 0 AEAERN C[C@H]1CCC[C@@H]([C@H](C)O)C1 82815815 573208843 /nfs/dbraw/zinc/20/88/43/573208843.db2.gz ADYKWYVGRZVJBC-XHNCKOQMSA-N 0 0 142.242 2.194 10 0 AEAERN Cc1cccc([C@H](O)C2CC2)c1N 257965326 573208844 /nfs/dbraw/zinc/20/88/44/573208844.db2.gz XUJATNSURYMRQU-LLVKDONJSA-N 0 0 177.247 2.021 10 0 AEAERN CCC[C@H](C)Oc1ccc(C=O)nc1 233341652 573208879 /nfs/dbraw/zinc/20/88/79/573208879.db2.gz UQOPQOYIKFQZLQ-VIFPVBQESA-N 0 0 193.246 2.462 10 0 AEAERN Cc1ncc([C@H](O)c2ccoc2)s1 235961440 573208915 /nfs/dbraw/zinc/20/89/15/573208915.db2.gz OHAXAWXLVLSXLX-SECBINFHSA-N 0 0 195.243 2.126 10 0 AEAERN CC[C@H](O)[C@H](C)Nc1ccccc1 238313001 573208945 /nfs/dbraw/zinc/20/89/45/573208945.db2.gz OKMRJUUAUJXDPJ-ONGXEEELSA-N 0 0 179.263 2.258 10 0 AEAERN CC(=O)CC(C)(C)c1cccnc1 82816187 573208946 /nfs/dbraw/zinc/20/89/46/573208946.db2.gz NNUOZBVNTBXJAX-UHFFFAOYSA-N 0 0 177.247 2.338 10 0 AEAERN Cc1ccc(Cl)c([C@@H](C)O)c1O 257964992 573209020 /nfs/dbraw/zinc/20/90/20/573209020.db2.gz CDUXUBPQBKAALH-ZCFIWIBFSA-N 0 0 186.638 2.407 10 0 AEAERN CN(C)c1ccc(NC=S)cc1 238313545 573209025 /nfs/dbraw/zinc/20/90/25/573209025.db2.gz XGLLNMJZQOBFQM-UHFFFAOYSA-N 0 0 180.276 2.122 10 0 AEAERN Cc1nc2cc(C(C)(C)O)ccc2[nH]1 257964792 573209029 /nfs/dbraw/zinc/20/90/29/573209029.db2.gz CBAZJTDTJNWEBU-UHFFFAOYSA-N 0 0 190.246 2.099 10 0 AEAERN OCc1ncoc1C1CCCCC1 85942328 573209050 /nfs/dbraw/zinc/20/90/50/573209050.db2.gz DBPDPPUWIGNHCT-UHFFFAOYSA-N 0 0 181.235 2.215 10 0 AEAERN C[C@H](CO)c1cccc2c1CCC2 257964922 573209151 /nfs/dbraw/zinc/20/91/51/573209151.db2.gz HLOZHUUETIDYFZ-SECBINFHSA-N 0 0 176.259 2.271 10 0 AEAERN CCc1ccc(N(C)CC(C)=O)cc1 49987720 573209153 /nfs/dbraw/zinc/20/91/53/573209153.db2.gz UPSYMCDXIAJOAI-UHFFFAOYSA-N 0 0 191.274 2.274 10 0 AEAERN CC[C@H]1CNC(=O)OC1(CC)CC 238312475 573209191 /nfs/dbraw/zinc/20/91/91/573209191.db2.gz KXFCAVXFFACREG-QMMMGPOBSA-N 0 0 185.267 2.311 10 0 AEAERN Cc1cc(F)cc(C)c1[C@H](C)O 235537026 573209199 /nfs/dbraw/zinc/20/91/99/573209199.db2.gz YYXPVWQRWUNPDZ-QMMMGPOBSA-N 0 0 168.211 2.496 10 0 AEAERN O=Cc1cccc([C@H](O)C2CCC2)c1 259603536 573209207 /nfs/dbraw/zinc/20/92/07/573209207.db2.gz DGXIAGFNQRWYSH-GFCCVEGCSA-N 0 0 190.242 2.333 10 0 AEAERN Cc1ccc(N)c(SC[C@@H](C)O)c1 85930389 573209245 /nfs/dbraw/zinc/20/92/45/573209245.db2.gz HRXHBJFPZUIXQA-MRVPVSSYSA-N 0 0 197.303 2.050 10 0 AEAERN C[C@H](O)[C@H]1CCC[C@@H](C)C1 82815812 573209337 /nfs/dbraw/zinc/20/93/37/573209337.db2.gz ADYKWYVGRZVJBC-VGMNWLOBSA-N 0 0 142.242 2.194 10 0 AEAERN C[C@@H](F)c1ccc(CON)cc1 257972656 573213257 /nfs/dbraw/zinc/21/32/57/573213257.db2.gz IMNHHHPABHBBKJ-SSDOTTSWSA-N 0 0 169.199 2.107 10 0 AEAERN CCc1c[nH]c(C(C)=O)c1C 238307062 573213259 /nfs/dbraw/zinc/21/32/59/573213259.db2.gz KTLKLYOIOWHHOM-UHFFFAOYSA-N 0 0 151.209 2.088 10 0 AEAERN CC1=CC[C@@H](CCNC(N)=O)C1(C)C 223606294 573213290 /nfs/dbraw/zinc/21/32/90/573213290.db2.gz BWQCISQKXHURGY-VIFPVBQESA-N 0 0 196.294 2.037 10 0 AEAERN C[C@H](O)Cc1ccc(O)c([C@@H](C)F)c1 257972848 573213340 /nfs/dbraw/zinc/21/33/40/573213340.db2.gz DATBBEWPWHNBLJ-JGVFFNPUSA-N 0 0 198.237 2.346 10 0 AEAERN Cc1noc(NCC2CCCCC2)n1 235964008 573212543 /nfs/dbraw/zinc/21/25/43/573212543.db2.gz JJGIBUDNYHLRSG-UHFFFAOYSA-N 0 0 195.266 2.370 10 0 AEAERN C[C@H]1CCc2cc([C@@H](C)O)ccc2O1 257972785 573212558 /nfs/dbraw/zinc/21/25/58/573212558.db2.gz CXZMKBDBBFKMQS-DTWKUNHWSA-N 0 0 192.258 2.453 10 0 AEAERN Cc1cnnc(NCC2CCCC2)c1 235975196 573212575 /nfs/dbraw/zinc/21/25/75/573212575.db2.gz ILFNFZQAQHXXSU-UHFFFAOYSA-N 0 0 191.278 2.387 10 0 AEAERN CCC(=O)Oc1cccc(F)c1C 115686577 573212633 /nfs/dbraw/zinc/21/26/33/573212633.db2.gz QUEGVVLDRLRQQG-UHFFFAOYSA-N 0 0 182.194 2.450 10 0 AEAERN COCCCC(C)(C)C[C@@H](C)O 82817131 573212660 /nfs/dbraw/zinc/21/26/60/573212660.db2.gz MRKNTVWUHBSIPO-SECBINFHSA-N 0 0 174.284 2.210 10 0 AEAERN Nc1cncc2c1-c1ccccc1C2 257758512 573212683 /nfs/dbraw/zinc/21/26/83/573212683.db2.gz BVDDHKHGKBCXGL-UHFFFAOYSA-N 0 0 182.226 2.235 10 0 AEAERN NOCc1cccc2c1SCCC2 257972780 573212717 /nfs/dbraw/zinc/21/27/17/573212717.db2.gz CXXJSRRRWAGAQQ-UHFFFAOYSA-N 0 0 195.287 2.115 10 0 AEAERN O=c1nc(-c2cccc(Cl)c2)o[nH]1 257970919 573212737 /nfs/dbraw/zinc/21/27/37/573212737.db2.gz KBICITKCBBGVDT-UHFFFAOYSA-N 0 0 196.593 2.096 10 0 AEAERN C[C@@H]1C(=O)C[C@@]2(C)CC[C@@H]1C2 115726667 573212759 /nfs/dbraw/zinc/21/27/59/573212759.db2.gz JXACUVOVPRSYFX-XKSSXDPKSA-N 0 0 152.237 2.402 10 0 AEAERN CCc1c[nH]c2c1C(=O)C[C@H](C)C2 238307298 573212779 /nfs/dbraw/zinc/21/27/79/573212779.db2.gz ZIVVUSWPCYLOSC-SSDOTTSWSA-N 0 0 177.247 2.342 10 0 AEAERN CO[C@@H]1CCCc2cccc(N)c21 257971998 573212852 /nfs/dbraw/zinc/21/28/52/573212852.db2.gz YSGONSLOBFYYNP-SNVBAGLBSA-N 0 0 177.247 2.293 10 0 AEAERN C[C@@H]1Cc2nc(N)sc2[C@@H](C)C1 82829405 573212888 /nfs/dbraw/zinc/21/28/88/573212888.db2.gz RJSBSHMKUZNQBY-WDSKDSINSA-N 0 0 182.292 2.411 10 0 AEAERN Cc1cnn2c1NC[C@H]1CCCC[C@H]12 235971188 573212893 /nfs/dbraw/zinc/21/28/93/573212893.db2.gz USVWCKPTKMIUCU-NXEZZACHSA-N 0 0 191.278 2.348 10 0 AEAERN C[C@H](O)/C=C/c1cc(F)cc(F)c1 235536202 573212924 /nfs/dbraw/zinc/21/29/24/573212924.db2.gz WPMPUVKRWAQGBG-AIYRYJHASA-N 0 0 184.185 2.359 10 0 AEAERN CC1=CC[C@H](CCNC(N)=O)C1(C)C 223606238 573212940 /nfs/dbraw/zinc/21/29/40/573212940.db2.gz BWQCISQKXHURGY-SECBINFHSA-N 0 0 196.294 2.037 10 0 AEAERN C[C@@H](O)CC(C)(C)c1cccnc1 82817125 573212947 /nfs/dbraw/zinc/21/29/47/573212947.db2.gz IAMYGHXMKCPHEX-SECBINFHSA-N 0 0 179.263 2.130 10 0 AEAERN CCSc1ccncc1NC(C)=O 238306916 573212976 /nfs/dbraw/zinc/21/29/76/573212976.db2.gz HYNXRHRRZQVLTI-UHFFFAOYSA-N 0 0 196.275 2.152 10 0 AEAERN FCCOCCNc1ccccc1 715137183 573212981 /nfs/dbraw/zinc/21/29/81/573212981.db2.gz QBYMRPCKCUXGIP-UHFFFAOYSA-N 0 0 183.226 2.085 10 0 AEAERN C[C@H]1c2cccc(O)c2N[C@@H]1C 257971533 573212987 /nfs/dbraw/zinc/21/29/87/573212987.db2.gz ILGLPLGUAMOVHT-RNFRBKRXSA-N 0 0 163.220 2.310 10 0 AEAERN O=C1CC[C@H](Sc2ccccn2)C1 82819848 573212995 /nfs/dbraw/zinc/21/29/95/573212995.db2.gz HWAKBBNFNGDJLV-VIFPVBQESA-N 0 0 193.271 2.295 10 0 AEAERN OC1(Cc2cccc3[nH]ccc23)CC1 257971107 573213000 /nfs/dbraw/zinc/21/30/00/573213000.db2.gz CWKUPQAEKZYJQD-UHFFFAOYSA-N 0 0 187.242 2.235 10 0 AEAERN C[C@H](O)Cc1cccc(CCF)c1 257970974 573213024 /nfs/dbraw/zinc/21/30/24/573213024.db2.gz CTTDJRDXKAJYET-VIFPVBQESA-N 0 0 182.238 2.122 10 0 AEAERN Cc1ccc(C(C)(C)C[C@H](C)O)cn1 82817091 573213050 /nfs/dbraw/zinc/21/30/50/573213050.db2.gz WPIOBQMGOQGMHC-JTQLQIEISA-N 0 0 193.290 2.439 10 0 AEAERN CN(CCCCO)c1ccccc1F 50006275 573213057 /nfs/dbraw/zinc/21/30/57/573213057.db2.gz YIYNCSOWJICFER-UHFFFAOYSA-N 0 0 197.253 2.034 10 0 AEAERN CCO[P@H](=O)c1cc(C)ccc1C 238307576 573213062 /nfs/dbraw/zinc/21/30/62/573213062.db2.gz JCJCOMBOHNAYIQ-UHFFFAOYSA-N 0 0 198.202 2.440 10 0 AEAERN CN(C)c1ccc(F)cc1C(C)(C)O 257972773 573213084 /nfs/dbraw/zinc/21/30/84/573213084.db2.gz CXJRTDIFCSYOAF-UHFFFAOYSA-N 0 0 197.253 2.119 10 0 AEAERN C[C@H](O)CC(C)(C)c1cccnc1 82817124 573213095 /nfs/dbraw/zinc/21/30/95/573213095.db2.gz IAMYGHXMKCPHEX-VIFPVBQESA-N 0 0 179.263 2.130 10 0 AEAERN Cc1nc2cccc(C3(O)CC3)c2o1 257972824 573213098 /nfs/dbraw/zinc/21/30/98/573213098.db2.gz DAALETVOBNZAKL-UHFFFAOYSA-N 0 0 189.214 2.118 10 0 AEAERN CC(C)S[C@H]1CCC(=O)C1 82819856 573213103 /nfs/dbraw/zinc/21/31/03/573213103.db2.gz DBGLVNHMSASBJI-QMMMGPOBSA-N 0 0 158.266 2.250 10 0 AEAERN CCSc1nc(C)c(CC)c(N)n1 238307419 573213168 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573224884 /nfs/dbraw/zinc/22/48/84/573224884.db2.gz JMOSQIYNMGWPKY-UHFFFAOYSA-N 0 0 179.267 2.249 10 0 AEAERN CC[C@@H](C)OCOc1ccc(F)nc1 308520273 573224949 /nfs/dbraw/zinc/22/49/49/573224949.db2.gz XMBFRLQSGYMFKT-MRVPVSSYSA-N 0 0 199.225 2.372 10 0 AEAERN CC(C)CCN1N=C2CCC[C@@H]2C1=O 104736642 573225050 /nfs/dbraw/zinc/22/50/50/573225050.db2.gz WGUBVNLWDJTAPS-VIFPVBQESA-N 0 0 194.278 2.031 10 0 AEAERN Cc1cc2cccc(CON)c2o1 258239384 573225064 /nfs/dbraw/zinc/22/50/64/573225064.db2.gz XAMRAUXWAFOFRD-UHFFFAOYSA-N 0 0 177.203 2.132 10 0 AEAERN COCCc1cccc(C(C)(C)O)c1 259382372 573225142 /nfs/dbraw/zinc/22/51/42/573225142.db2.gz HZZPLIXMXXBGKI-UHFFFAOYSA-N 0 0 194.274 2.103 10 0 AEAERN CNC(=S)c1coc2ccccc12 259038416 573225154 /nfs/dbraw/zinc/22/51/54/573225154.db2.gz CBAWKCWTKFUORD-UHFFFAOYSA-N 0 0 191.255 2.328 10 0 AEAERN Cc1cc(=O)c2cccc(C)c2o1 115845610 573225228 /nfs/dbraw/zinc/22/52/28/573225228.db2.gz XVPOUMMHNKKBQR-UHFFFAOYSA-N 0 0 174.199 2.410 10 0 AEAERN CC[C@H](C)N(C)C(=O)/C=C\C(C)C 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/nfs/dbraw/zinc/24/75/91/573247591.db2.gz VSRJNKATWBGMAU-UHFFFAOYSA-N 0 0 168.146 2.272 10 0 AEAERN COc1cc([C@H](C)CO)cc(C)c1C 257977209 573247596 /nfs/dbraw/zinc/24/75/96/573247596.db2.gz DLTXLBHLGLWHTG-SECBINFHSA-N 0 0 194.274 2.408 10 0 AEAERN Oc1ccc(CC2(O)CC2)c(Cl)c1 258247769 573247603 /nfs/dbraw/zinc/24/76/03/573247603.db2.gz XKTFGOKUGWWVIU-UHFFFAOYSA-N 0 0 198.649 2.113 10 0 AEAERN COCCC1=C(C)C(C)(C)[C@@H](O)C1 197258152 573247614 /nfs/dbraw/zinc/24/76/14/573247614.db2.gz MORCWXNNEVRJDT-JTQLQIEISA-N 0 0 184.279 2.130 10 0 AEAERN CCCN(/C=C\C(=O)OC)CC(C)C 308522494 573247622 /nfs/dbraw/zinc/24/76/22/573247622.db2.gz YTFPZQTWPMQGCH-VURMDHGXSA-N 0 0 199.294 2.041 10 0 AEAERN CCc1ccc(O[C@@H]2CCOC2)cc1 82865284 573247629 /nfs/dbraw/zinc/24/76/29/573247629.db2.gz QRSDIYCJHYLNQT-GFCCVEGCSA-N 0 0 192.258 2.417 10 0 AEAERN Cc1cc2c(c([C@@H](C)O)c1C)OCO2 257977247 573247694 /nfs/dbraw/zinc/24/76/94/573247694.db2.gz DMLSNAYOJSVVKK-MRVPVSSYSA-N 0 0 194.230 2.085 10 0 AEAERN CO[C@H]1C[C@@H]1C(=O)CC1=CCCC1 689938235 573247733 /nfs/dbraw/zinc/24/77/33/573247733.db2.gz YUMKCUMHVCHZHV-KOLCDFICSA-N 0 0 180.247 2.091 10 0 AEAERN CCc1cccc(O[C@@H]2CCOC2)c1 82865302 573247762 /nfs/dbraw/zinc/24/77/62/573247762.db2.gz LZUNGQBZKSOIEZ-GFCCVEGCSA-N 0 0 192.258 2.417 10 0 AEAERN CC[C@@H](C(C)=O)C(F)(F)F 238317213 573247787 /nfs/dbraw/zinc/24/77/87/573247787.db2.gz PYWDRAQNHRANTO-YFKPBYRVSA-N 0 0 154.131 2.164 10 0 AEAERN CCc1ccccc1O[C@H]1CCOC1 82865323 573251543 /nfs/dbraw/zinc/25/15/43/573251543.db2.gz PQTOKRHIXPFTRK-NSHDSACASA-N 0 0 192.258 2.417 10 0 AEAERN CCc1ccccc1O[C@@H]1CCOC1 82865322 573251549 /nfs/dbraw/zinc/25/15/49/573251549.db2.gz PQTOKRHIXPFTRK-LLVKDONJSA-N 0 0 192.258 2.417 10 0 AEAERN S=c1cc[nH]c(-c2ncccn2)c1 715739277 573251554 /nfs/dbraw/zinc/25/15/54/573251554.db2.gz SKSCAOZXNYPVFO-UHFFFAOYSA-N 0 0 189.243 2.201 10 0 AEAERN CN=C1Nc2ccccc2CS1 238318616 573251590 /nfs/dbraw/zinc/25/15/90/573251590.db2.gz LGPKOBVDJZHFEH-UHFFFAOYSA-N 0 0 178.260 2.140 10 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2.399 10 0 AEAERN Cc1ccc([C@@]2(CO)CC2(C)C)o1 259051815 573251797 /nfs/dbraw/zinc/25/17/97/573251797.db2.gz VIVGDELMLOUZAV-NSHDSACASA-N 0 0 180.247 2.248 10 0 AEAERN CCC[C@@H](C)Nc1ncncc1OC 308530703 573251810 /nfs/dbraw/zinc/25/18/10/573251810.db2.gz KSDUIAGDHYMWOZ-MRVPVSSYSA-N 0 0 195.266 2.086 10 0 AEAERN Cc1cc(C)c(C)c(CNO)c1 257979066 573251826 /nfs/dbraw/zinc/25/18/26/573251826.db2.gz JLRLRTNWKDBLDM-UHFFFAOYSA-N 0 0 165.236 2.091 10 0 AEAERN Cc1cccc(C(C)(C)CO)c1F 257979365 573251858 /nfs/dbraw/zinc/25/18/58/573251858.db2.gz DPVDBTBSCHNNAS-UHFFFAOYSA-N 0 0 182.238 2.404 10 0 AEAERN CCSc1ccc(O)c(N)c1 116200371 573251950 /nfs/dbraw/zinc/25/19/50/573251950.db2.gz XWAFIFRFNVJSLJ-UHFFFAOYSA-N 0 0 169.249 2.086 10 0 AEAERN CCC1(C[C@H](NN)C(C)C)CCC1 308328509 573251963 /nfs/dbraw/zinc/25/19/63/573251963.db2.gz IRROBGKKSKRAPT-JTQLQIEISA-N 0 0 184.327 2.445 10 0 AEAERN C[C@@H]1Cc2cc([C@@H](C)O)ccc2N1 258249108 573252067 /nfs/dbraw/zinc/25/20/67/573252067.db2.gz XRPDWWDIVORBDQ-HTQZYQBOSA-N 0 0 177.247 2.096 10 0 AEAERN Cc1coc2c(CCON)cccc12 257979398 573252087 /nfs/dbraw/zinc/25/20/87/573252087.db2.gz DQDLZSGEVFAZFT-UHFFFAOYSA-N 0 0 191.230 2.174 10 0 AEAERN C[C@@H](F)c1cccc(CNO)c1 257979060 573252093 /nfs/dbraw/zinc/25/20/93/573252093.db2.gz JLIHSBVWJBINLL-SSDOTTSWSA-N 0 0 169.199 2.196 10 0 AEAERN O[C@@H]1CCC=CCCCCCC[C@H]1O 308530048 573252101 /nfs/dbraw/zinc/25/21/01/573252101.db2.gz CBYCVAMZAOBFCA-VXGBXAGGSA-N 0 0 198.306 2.399 10 0 AEAERN Cc1c(O)cccc1NC(=O)C1CC1 82879089 573252115 /nfs/dbraw/zinc/25/21/15/573252115.db2.gz NVYQYWSNGACFOP-UHFFFAOYSA-N 0 0 191.230 2.049 10 0 AEAERN COC(=O)/C=C\N(CC(C)C)C(C)C 211619212 573252145 /nfs/dbraw/zinc/25/21/45/573252145.db2.gz XLKKNRPODZCKEB-SREVYHEPSA-N 0 0 199.294 2.040 10 0 AEAERN CC[C@H]([NH3+])c1cccc(C)c1C(=O)[O-] 238317742 573252159 /nfs/dbraw/zinc/25/21/59/573252159.db2.gz OLBOOVOHVUQOEV-VIFPVBQESA-N 0 0 193.246 2.103 10 0 AEAERN CC(C)Nc1ccc(O)c(F)c1 82878614 573252164 /nfs/dbraw/zinc/25/21/64/573252164.db2.gz 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/nfs/dbraw/zinc/27/11/42/573271142.db2.gz UUENNVLIIPISJN-LLVKDONJSA-N 0 0 193.315 2.236 10 0 AEAERN Cc1ccc2c(c1)C[C@H](C[C@@H](C)O)O2 258269602 573271153 /nfs/dbraw/zinc/27/11/53/573271153.db2.gz YYKBDFJNNCAZNR-KOLCDFICSA-N 0 0 192.258 2.069 10 0 AEAERN COc1c(C)cc(C2(O)CC2)cc1F 257989346 573271179 /nfs/dbraw/zinc/27/11/79/573271179.db2.gz FMATXLGNRJQEHQ-UHFFFAOYSA-N 0 0 196.221 2.124 10 0 AEAERN CCC(=O)COCCCC(C)C 50181439 573271184 /nfs/dbraw/zinc/27/11/84/573271184.db2.gz MZVKUKCAIRJXCW-UHFFFAOYSA-N 0 0 172.268 2.418 10 0 AEAERN COC(C)(C)c1ccc(CCO)cc1 257986977 573271249 /nfs/dbraw/zinc/27/12/49/573271249.db2.gz FEMQGMMDSORCLR-UHFFFAOYSA-N 0 0 194.274 2.103 10 0 AEAERN C[C@@H](CO)c1ccc2ncccc2c1 257989267 573271286 /nfs/dbraw/zinc/27/12/86/573271286.db2.gz FIEUFYTYHCNFHM-VIFPVBQESA-N 0 0 187.242 2.331 10 0 AEAERN COc1c(C(C)=O)cc(C)c(C)c1O 257989235 573271302 /nfs/dbraw/zinc/27/13/02/573271302.db2.gz FHOVDEYIBQMZPG-UHFFFAOYSA-N 0 0 194.230 2.220 10 0 AEAERN Cc1cccc2c1[nH]c(=O)n2C(C)C 258271696 573271323 /nfs/dbraw/zinc/27/13/23/573271323.db2.gz ZBAVKMBNTBLHMU-UHFFFAOYSA-N 0 0 190.246 2.219 10 0 AEAERN C[C@@H]1CNc2ccc([C@@H](C)O)cc21 258271661 573271337 /nfs/dbraw/zinc/27/13/37/573271337.db2.gz ZAFPBFXXYOWZHY-HTQZYQBOSA-N 0 0 177.247 2.269 10 0 AEAERN COCc1ccc(F)c(CC(C)=O)c1 257987000 573271441 /nfs/dbraw/zinc/27/14/41/573271441.db2.gz FFHVWEOQUPKZMH-UHFFFAOYSA-N 0 0 196.221 2.104 10 0 AEAERN CCOCc1cc(Cl)ccn1 86130613 573271496 /nfs/dbraw/zinc/27/14/96/573271496.db2.gz XOMRJTNDSQMYTK-UHFFFAOYSA-N 0 0 171.627 2.272 10 0 AEAERN CCC(=O)CO[C@H](C)CC(C)C 50181160 573271568 /nfs/dbraw/zinc/27/15/68/573271568.db2.gz FZHQCPKQKYYPLR-SECBINFHSA-N 0 0 172.268 2.417 10 0 AEAERN COC(C)(C)Oc1ccccc1O 238329925 573271605 /nfs/dbraw/zinc/27/16/05/573271605.db2.gz YRXGVUBBGLAYSH-UHFFFAOYSA-N 0 0 182.219 2.154 10 0 AEAERN NOCc1c(Cl)ccc2occc12 257989254 573271618 /nfs/dbraw/zinc/27/16/18/573271618.db2.gz FHZHNWRDCNUJCD-UHFFFAOYSA-N 0 0 197.621 2.477 10 0 AEAERN C[C@@H](O)c1ccc2c(c1)[C@@H](C)CN2 258271662 573271634 /nfs/dbraw/zinc/27/16/34/573271634.db2.gz ZAFPBFXXYOWZHY-JGVFFNPUSA-N 0 0 177.247 2.269 10 0 AEAERN COc1c(C)ccc(F)c1[C@@H](C)CO 258275385 573271713 /nfs/dbraw/zinc/27/17/13/573271713.db2.gz ZOIVUPQCEGWHPV-QMMMGPOBSA-N 0 0 198.237 2.239 10 0 AEAERN CCC(CC)C(=O)c1cncn1C 126030590 573272359 /nfs/dbraw/zinc/27/23/59/573272359.db2.gz JRRXZTJDKOEMQX-UHFFFAOYSA-N 0 0 180.251 2.039 10 0 AEAERN OC1CCC(=C2CCC(O)CC2)CC1 142479052 573272372 /nfs/dbraw/zinc/27/23/72/573272372.db2.gz CTTANBKFIKYALO-UHFFFAOYSA-N 0 0 196.290 2.153 10 0 AEAERN CCC(=O)COC1CCCCC1 50181184 573272373 /nfs/dbraw/zinc/27/23/73/573272373.db2.gz LTFQBWPKZKACFZ-UHFFFAOYSA-N 0 0 170.252 2.315 10 0 AEAERN Cc1cccc(CC2(O)CC2)c1C 257988732 573271798 /nfs/dbraw/zinc/27/17/98/573271798.db2.gz KLMHWLNYVCIUTE-UHFFFAOYSA-N 0 0 176.259 2.371 10 0 AEAERN Nc1cc(-c2ccc3cc[nH]c3c2)no1 257987531 573271805 /nfs/dbraw/zinc/27/18/05/573271805.db2.gz AVNSGOHZDRCMFN-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN CNc1cc(O)c(N=O)cc1C 238329627 573271818 /nfs/dbraw/zinc/27/18/18/573271818.db2.gz PMXYIKYTMTWCLZ-UHFFFAOYSA-N 0 0 166.180 2.140 10 0 AEAERN Cc1nc2ccc(-c3cc[nH]n3)cc2[nH]1 259063585 573271833 /nfs/dbraw/zinc/27/18/33/573271833.db2.gz BRORANBPUNHWFV-UHFFFAOYSA-N 0 0 198.229 2.261 10 0 AEAERN COc1cc(F)cc(C(C)(C)CO)c1 257987740 573271851 /nfs/dbraw/zinc/27/18/51/573271851.db2.gz AZKTXNXYLAJOBN-UHFFFAOYSA-N 0 0 198.237 2.104 10 0 AEAERN CCCC[C@@H](C)Nc1cnccn1 50889527 573271904 /nfs/dbraw/zinc/27/19/04/573271904.db2.gz PQYJTGQNBSBELS-SECBINFHSA-N 0 0 179.267 2.467 10 0 AEAERN CC(C)n1cnc(C[NH+]2CCCC2)c1 258270933 573271905 /nfs/dbraw/zinc/27/19/05/573271905.db2.gz SNJYJKGJPGUTJN-UHFFFAOYSA-N 0 0 193.294 2.060 10 0 AEAERN C[C@H](O)c1ccc2c(c1)[C@H](C)CN2 258271663 573271921 /nfs/dbraw/zinc/27/19/21/573271921.db2.gz ZAFPBFXXYOWZHY-SFYZADRCSA-N 0 0 177.247 2.269 10 0 AEAERN CC(C)c1ccc(O)c(CCCO)c1 257989322 573271978 /nfs/dbraw/zinc/27/19/78/573271978.db2.gz FKKVNJJNPWEFKT-UHFFFAOYSA-N 0 0 194.274 2.441 10 0 AEAERN Cc1ccc2c(c1)C[C@H](C[C@H](C)O)O2 258269610 573271986 /nfs/dbraw/zinc/27/19/86/573271986.db2.gz YYKBDFJNNCAZNR-ONGXEEELSA-N 0 0 192.258 2.069 10 0 AEAERN CCC(=O)CN(C)c1ccc(C)cc1 50180158 573272237 /nfs/dbraw/zinc/27/22/37/573272237.db2.gz UVIBFIZJJDHVGO-UHFFFAOYSA-N 0 0 191.274 2.410 10 0 AEAERN CCC(=O)CN(C)c1cccc(F)c1 50180168 573272259 /nfs/dbraw/zinc/27/22/59/573272259.db2.gz YYSSZVCTONYQTB-UHFFFAOYSA-N 0 0 195.237 2.241 10 0 AEAERN CC(=O)CCOc1ccc(F)cc1C 129251948 573272307 /nfs/dbraw/zinc/27/23/07/573272307.db2.gz PIKXYEPUZACVOY-UHFFFAOYSA-N 0 0 196.221 2.492 10 0 AEAERN COC(C)(C)[C@@H]1CC=C(C)[C@H](O)C1 238330211 573274077 /nfs/dbraw/zinc/27/40/77/573274077.db2.gz ZMHYGAMPKFHDHT-NXEZZACHSA-N 0 0 184.279 2.129 10 0 AEAERN Oc1c(Cl)cccc1CC1(O)CC1 257987685 573274083 /nfs/dbraw/zinc/27/40/83/573274083.db2.gz AXTXANXRAMPNSD-UHFFFAOYSA-N 0 0 198.649 2.113 10 0 AEAERN CC(C)=CC(=O)OCC1CC=CC1 308338807 573274088 /nfs/dbraw/zinc/27/40/88/573274088.db2.gz PRVIVJYDDXGJIN-UHFFFAOYSA-N 0 0 180.247 2.462 10 0 AEAERN Nc1cc(-c2cccc3c2CCC3)[nH]n1 258275402 573273367 /nfs/dbraw/zinc/27/33/67/573273367.db2.gz ZOKXFLNTHQXUKT-UHFFFAOYSA-N 0 0 199.257 2.148 10 0 AEAERN COc1ccccc1C(C)(C)N(C)O 82907398 573273373 /nfs/dbraw/zinc/27/33/73/573273373.db2.gz LZSSJCIRNKGHDT-UHFFFAOYSA-N 0 0 195.262 2.251 10 0 AEAERN C/C(=C/c1sc(C)nc1C)CO 211937631 573273410 /nfs/dbraw/zinc/27/34/10/573273410.db2.gz QZSVOAIRONOBTL-XQRVVYSFSA-N 0 0 183.276 2.156 10 0 AEAERN CC[C@H]1Nc2ccc(C)cc2NC1=O 86158843 573273440 /nfs/dbraw/zinc/27/34/40/573273440.db2.gz LLDDBUQUMOSPSH-MRVPVSSYSA-N 0 0 190.246 2.138 10 0 AEAERN c1c[nH]c(-c2cn3ccccc3n2)c1 105689913 573273486 /nfs/dbraw/zinc/27/34/86/573273486.db2.gz NESMVUYWQOEYOS-UHFFFAOYSA-N 0 0 183.214 2.329 10 0 AEAERN C[C@@H](F)c1cccc(CCON)c1 257986974 573273540 /nfs/dbraw/zinc/27/35/40/573273540.db2.gz FELZWIAOOXASRP-MRVPVSSYSA-N 0 0 183.226 2.150 10 0 AEAERN Cc1cccc2cc(CON)oc12 258273604 573273554 /nfs/dbraw/zinc/27/35/54/573273554.db2.gz SQRGZMKWNKOKTN-UHFFFAOYSA-N 0 0 177.203 2.132 10 0 AEAERN OCc1coc(-c2ccccc2)c1 142469384 573273624 /nfs/dbraw/zinc/27/36/24/573273624.db2.gz XAWRDEACVJRZMA-UHFFFAOYSA-N 0 0 174.199 2.439 10 0 AEAERN C[NH2+][C@@H](C)c1coc(CC(C)C)n1 258271019 573273679 /nfs/dbraw/zinc/27/36/79/573273679.db2.gz XVVNAQKZJFDQFU-QMMMGPOBSA-N 0 0 182.267 2.154 10 0 AEAERN Cc1cccc2c1[C@@H](CON)CS2 258273602 573273690 /nfs/dbraw/zinc/27/36/90/573273690.db2.gz SQQYWJNCSJHOMW-QMMMGPOBSA-N 0 0 195.287 2.075 10 0 AEAERN CSc1c(O)cccc1C1(O)CC1 257989324 573273709 /nfs/dbraw/zinc/27/37/09/573273709.db2.gz FKLUZZSUSYKJNN-UHFFFAOYSA-N 0 0 196.271 2.096 10 0 AEAERN OCCc1ccccc1SC1CC1 257987003 573273721 /nfs/dbraw/zinc/27/37/21/573273721.db2.gz FFKYSAXQWGDRHC-UHFFFAOYSA-N 0 0 194.299 2.476 10 0 AEAERN COc1c(O)c(C)cc(C(C)=O)c1F 257987038 573273808 /nfs/dbraw/zinc/27/38/08/573273808.db2.gz FGQXQXCQCQSZLH-UHFFFAOYSA-N 0 0 198.193 2.051 10 0 AEAERN C[C@H](CO)c1ccc2c(c1)SCO2 257989317 573273872 /nfs/dbraw/zinc/27/38/72/573273872.db2.gz FKFYEJPWFGFXFE-SSDOTTSWSA-N 0 0 196.271 2.224 10 0 AEAERN CCCC[C@H](C)Nc1ncccn1 50889532 573273876 /nfs/dbraw/zinc/27/38/76/573273876.db2.gz AVGPERPTIVUKBR-VIFPVBQESA-N 0 0 179.267 2.467 10 0 AEAERN COc1cc(C)cc([C@H](C)CO)c1F 258272788 573273905 /nfs/dbraw/zinc/27/39/05/573273905.db2.gz ZJBONWSUBORVPC-MRVPVSSYSA-N 0 0 198.237 2.239 10 0 AEAERN Cc1ccn2c(-c3ccco3)nnc2c1 258271951 573273930 /nfs/dbraw/zinc/27/39/30/573273930.db2.gz NFIPPGNMYJUBPV-UHFFFAOYSA-N 0 0 199.213 2.298 10 0 AEAERN C[C@H](F)c1cccc(CCON)c1 257986976 573273933 /nfs/dbraw/zinc/27/39/33/573273933.db2.gz FELZWIAOOXASRP-QMMMGPOBSA-N 0 0 183.226 2.150 10 0 AEAERN Cc1oc(C2CCCC2)nc1CCO 142446989 573273936 /nfs/dbraw/zinc/27/39/36/573273936.db2.gz LBCZDHXTDZYIFK-UHFFFAOYSA-N 0 0 195.262 2.175 10 0 AEAERN CC[C@@H]1Nc2ccc(C)cc2NC1=O 86158844 573273974 /nfs/dbraw/zinc/27/39/74/573273974.db2.gz LLDDBUQUMOSPSH-QMMMGPOBSA-N 0 0 190.246 2.138 10 0 AEAERN COCC1(CC(=O)C(C)C)CCC1 308338917 573273980 /nfs/dbraw/zinc/27/39/80/573273980.db2.gz PUDFWZLJNOTONE-UHFFFAOYSA-N 0 0 184.279 2.418 10 0 AEAERN COc1cc(C(C)=O)c(C)c(C)c1O 257989340 573274190 /nfs/dbraw/zinc/27/41/90/573274190.db2.gz FLSYUFZTNLFVRL-UHFFFAOYSA-N 0 0 194.230 2.220 10 0 AEAERN CCCC(F)(F)[C@H](C)NC 258617289 573274215 /nfs/dbraw/zinc/27/42/15/573274215.db2.gz WJTLBTNEVASNAR-LURJTMIESA-N 0 0 151.200 2.030 10 0 AEAERN CC(F)(F)c1cccc(CON)c1 257989255 573274232 /nfs/dbraw/zinc/27/42/32/573274232.db2.gz FIAORMIHLXIHRX-UHFFFAOYSA-N 0 0 187.189 2.189 10 0 AEAERN C[C@@H](CO)c1ccc2c(c1)SCO2 257989318 573274288 /nfs/dbraw/zinc/27/42/88/573274288.db2.gz FKFYEJPWFGFXFE-ZETCQYMHSA-N 0 0 196.271 2.224 10 0 AEAERN Cc1cc(C(C)(C)C)c(O)cc1CO 257989272 573274296 /nfs/dbraw/zinc/27/42/96/573274296.db2.gz FIJFZODJZAIUFC-UHFFFAOYSA-N 0 0 194.274 2.490 10 0 AEAERN COc1cnc2ccccc2c1OC 105658867 573274310 /nfs/dbraw/zinc/27/43/10/573274310.db2.gz IVFQEPRNEKCWKD-UHFFFAOYSA-N 0 0 189.214 2.252 10 0 AEAERN CCc1cc(F)c(C=O)cc1OC 238328702 573274311 /nfs/dbraw/zinc/27/43/11/573274311.db2.gz SQEZZLCFYKQHHM-UHFFFAOYSA-N 0 0 182.194 2.209 10 0 AEAERN CC(=O)c1cnn(C2CCC2)c1Cl 257988277 573274313 /nfs/dbraw/zinc/27/43/13/573274313.db2.gz FBIXVLXXMJCZFM-UHFFFAOYSA-N 0 0 198.653 2.464 10 0 AEAERN CSc1ccc(C[C@@H](C)O)c(O)c1 257987732 573274410 /nfs/dbraw/zinc/27/44/10/573274410.db2.gz AZFIULSNURGMIC-SSDOTTSWSA-N 0 0 198.287 2.037 10 0 AEAERN COc1nc(C2CCCCC2)c[nH]1 259064315 573274432 /nfs/dbraw/zinc/27/44/32/573274432.db2.gz KCNRCCXGNSHFFG-UHFFFAOYSA-N 0 0 180.251 2.466 10 0 AEAERN Cc1ncccc1CCC[C@H](C)O 238432325 573274467 /nfs/dbraw/zinc/27/44/67/573274467.db2.gz QITJAMYPTPXIBB-VIFPVBQESA-N 0 0 179.263 2.094 10 0 AEAERN CCCC1([C@@H](NN)c2ccoc2)CC1 308535184 573274550 /nfs/dbraw/zinc/27/45/50/573274550.db2.gz LZNQJAOCTOJVOK-JTQLQIEISA-N 0 0 194.278 2.364 10 0 AEAERN CSc1cc(C)c(C)c(CON)c1 257986978 573274567 /nfs/dbraw/zinc/27/45/67/573274567.db2.gz FENLOILPAUAPBP-UHFFFAOYSA-N 0 0 197.303 2.416 10 0 AEAERN C[C@H](CO)c1ccc2ncccc2c1 257989265 573274705 /nfs/dbraw/zinc/27/47/05/573274705.db2.gz FIEUFYTYHCNFHM-SECBINFHSA-N 0 0 187.242 2.331 10 0 AEAERN C[C@H]1CCc2c(cccc2[C@@H](C)O)O1 257989306 573274776 /nfs/dbraw/zinc/27/47/76/573274776.db2.gz FJOUBSCZVAKYHV-DTWKUNHWSA-N 0 0 192.258 2.453 10 0 AEAERN C[C@H]1CCc2c(cccc2[C@H](C)O)O1 257989307 573274803 /nfs/dbraw/zinc/27/48/03/573274803.db2.gz FJOUBSCZVAKYHV-IUCAKERBSA-N 0 0 192.258 2.453 10 0 AEAERN CCC(=O)CN(C)c1cccc(C)c1 50180155 573274809 /nfs/dbraw/zinc/27/48/09/573274809.db2.gz OJUIKDRCEGJESX-UHFFFAOYSA-N 0 0 191.274 2.410 10 0 AEAERN CO[C@H](C)c1ccccc1[C@H](C)O 259399490 573276318 /nfs/dbraw/zinc/27/63/18/573276318.db2.gz JBJQQJCEJAIFCB-DTWKUNHWSA-N 0 0 180.247 2.447 10 0 AEAERN CCC1C(=O)N(C(C)C)N=C1C 116396767 573276358 /nfs/dbraw/zinc/27/63/58/573276358.db2.gz JYTUTDROSOODBX-UHFFFAOYSA-N 0 0 168.240 2.040 10 0 AEAERN CC1=NN(C2CCCC2)C(=O)C1C 116396956 573276413 /nfs/dbraw/zinc/27/64/13/573276413.db2.gz CLVUJEKWJDTXSG-UHFFFAOYSA-N 0 0 180.251 2.321 10 0 AEAERN Cc1n[nH]cc1CCCn1cccc1 50183048 573276435 /nfs/dbraw/zinc/27/64/35/573276435.db2.gz YYIPVLBNRIEFKR-UHFFFAOYSA-N 0 0 189.262 2.152 10 0 AEAERN COc1cc(N)c(F)c2c1CCCC2 257990858 573276443 /nfs/dbraw/zinc/27/64/43/573276443.db2.gz KQQKAZRMRHZZPD-UHFFFAOYSA-N 0 0 195.237 2.295 10 0 AEAERN COC1=N[C@H]2C=CC=C(C)[C@@H]1C=C2 197263682 573276462 /nfs/dbraw/zinc/27/64/62/573276462.db2.gz RPARDFZSSUSNIH-UWVGGRQHSA-N 0 0 175.231 2.102 10 0 AEAERN Cc1ccc2nnc(-c3ccco3)n2c1 257990870 573276574 /nfs/dbraw/zinc/27/65/74/573276574.db2.gz OOJALKUDCXJYDQ-UHFFFAOYSA-N 0 0 199.213 2.298 10 0 AEAERN CC1CCC(C[C@H](NN)C2CC2)CC1 308537178 573276601 /nfs/dbraw/zinc/27/66/01/573276601.db2.gz SCHKVPWORKOBQB-CBINBANVSA-N 0 0 196.338 2.445 10 0 AEAERN CCC(=O)[C@@H]1CCO[C@@H](CC)C1 86161637 573276604 /nfs/dbraw/zinc/27/66/04/573276604.db2.gz JISSVOWKUKKLNA-BDAKNGLRSA-N 0 0 170.252 2.171 10 0 AEAERN COc1cccc(CCO)c1[C@@H](C)F 257990256 573276607 /nfs/dbraw/zinc/27/66/07/573276607.db2.gz BFPNPWGLJYQWMA-MRVPVSSYSA-N 0 0 198.237 2.261 10 0 AEAERN Nc1cc2ccc(Cl)cc2[nH]c1=O 257992061 573276668 /nfs/dbraw/zinc/27/66/68/573276668.db2.gz FMDZYIYGJZTXKX-UHFFFAOYSA-N 0 0 194.621 2.176 10 0 AEAERN O=Cc1csc2c(O)cccc12 257990645 573276718 /nfs/dbraw/zinc/27/67/18/573276718.db2.gz BHTDAEPBZRKCHK-UHFFFAOYSA-N 0 0 178.212 2.419 10 0 AEAERN CCC(=O)[C@H]1CCO[C@@H](CC)C1 86161639 573276819 /nfs/dbraw/zinc/27/68/19/573276819.db2.gz JISSVOWKUKKLNA-IUCAKERBSA-N 0 0 170.252 2.171 10 0 AEAERN CC(C)CCN(C)C(=O)S 258616949 573276832 /nfs/dbraw/zinc/27/68/32/573276832.db2.gz BSLILNIKZVJLSU-UHFFFAOYSA-N 0 0 161.270 2.014 10 0 AEAERN CCC1C(=O)N([C@@H](C)CC)N=C1C 116397060 573276841 /nfs/dbraw/zinc/27/68/41/573276841.db2.gz IGKXCHZVVAPEAP-ZETCQYMHSA-N 0 0 182.267 2.431 10 0 AEAERN Cc1csc([C@@H](O)CC2CC2)n1 123955488 573276865 /nfs/dbraw/zinc/27/68/65/573276865.db2.gz HBSQVQIZBLRBIX-QMMMGPOBSA-N 0 0 183.276 2.285 10 0 AEAERN Cc1nc2cccc(CCCO)c2o1 257991308 573276893 /nfs/dbraw/zinc/27/68/93/573276893.db2.gz FNUAIBDLPFUAPM-UHFFFAOYSA-N 0 0 191.230 2.061 10 0 AEAERN C[C@H]1CNc2cccc(C=O)c21 257990826 573276914 /nfs/dbraw/zinc/27/69/14/573276914.db2.gz HWKLDPAVXBWQHF-ZETCQYMHSA-N 0 0 161.204 2.028 10 0 AEAERN CCCC(CCC)COC(N)=O 84741452 573276942 /nfs/dbraw/zinc/27/69/42/573276942.db2.gz IZZHOYKZPHPSFO-UHFFFAOYSA-N 0 0 173.256 2.298 10 0 AEAERN C[C@@H](F)c1ccc(O)c(C2(O)CC2)c1 257993917 573291432 /nfs/dbraw/zinc/29/14/32/573291432.db2.gz FRZMQJNQNVBEQG-SSDOTTSWSA-N 0 0 196.221 2.404 10 0 AEAERN Cc1cc(CCCO)c(C)c(C)c1O 259405445 573291446 /nfs/dbraw/zinc/29/14/46/573291446.db2.gz JKERRISSGMBGTA-UHFFFAOYSA-N 0 0 194.274 2.242 10 0 AEAERN CCc1ccc(OC)c(NCOC)c1 259071559 573291492 /nfs/dbraw/zinc/29/14/92/573291492.db2.gz LRUKYSVCACHWAS-UHFFFAOYSA-N 0 0 195.262 2.273 10 0 AEAERN Cc1cc(N[Si](C)(C)C)no1 197028085 573291615 /nfs/dbraw/zinc/29/16/15/573291615.db2.gz PRHAHKRWNHLXGA-UHFFFAOYSA-N 0 0 170.288 2.230 10 0 AEAERN CCC[C@H](C)CC(=O)c1cncn1C 126057570 573291630 /nfs/dbraw/zinc/29/16/30/573291630.db2.gz AXEITNAFHHYGOO-VIFPVBQESA-N 0 0 194.278 2.429 10 0 AEAERN CCc1cc(F)c(OC)cc1OC 197026746 573291635 /nfs/dbraw/zinc/29/16/35/573291635.db2.gz SUEMTXRICWLSLO-UHFFFAOYSA-N 0 0 184.210 2.405 10 0 AEAERN COc1cc(OC)c(C(C)=O)cc1F 197026697 573291659 /nfs/dbraw/zinc/29/16/59/573291659.db2.gz QQJQFCVASFMNGH-UHFFFAOYSA-N 0 0 198.193 2.046 10 0 AEAERN O[C@H]1CCCC[C@@]1(O)C1CCCCC1 116534690 573291672 /nfs/dbraw/zinc/29/16/72/573291672.db2.gz JCIJSBGBFPQDIF-NWDGAFQWSA-N 0 0 198.306 2.233 10 0 AEAERN O=c1[nH]c2occc2c2ccccc12 116492569 573291809 /nfs/dbraw/zinc/29/18/09/573291809.db2.gz KDRAXDWRUPNABP-UHFFFAOYSA-N 0 0 185.182 2.274 10 0 AEAERN COC(=O)[C@@]1(C2CCCC2)C[C@H]1C 259071779 573291872 /nfs/dbraw/zinc/29/18/72/573291872.db2.gz YFGUOYCMGQWNAA-KCJUWKMLSA-N 0 0 182.263 2.376 10 0 AEAERN CC[C@@H](C)C[C@H](O)C1(OC)CCC1 132369680 573291884 /nfs/dbraw/zinc/29/18/84/573291884.db2.gz HQNLMEYUEMVCCW-ZJUUUORDSA-N 0 0 186.295 2.353 10 0 AEAERN CC1=NC(=S)N(C2(C)CC2)C1C 716686865 573291913 /nfs/dbraw/zinc/29/19/13/573291913.db2.gz ZRLSNQPMSLZSLE-UHFFFAOYSA-N 0 0 182.292 2.298 10 0 AEAERN CC(=O)C(F)(F)CC1CC1 258622453 573292072 /nfs/dbraw/zinc/29/20/72/573292072.db2.gz WUTWFSHPGKZBJW-UHFFFAOYSA-N 0 0 148.152 2.011 10 0 AEAERN Cc1ccc(F)cc1[C@@]1(O)C[C@H]1C 86196783 573294913 /nfs/dbraw/zinc/29/49/13/573294913.db2.gz TWDYKYXUXNUIHS-LDYMZIIASA-N 0 0 180.222 2.362 10 0 AEAERN C[C@@H]1C[C@]1(O)Cc1cccc(F)c1 86196724 573294917 /nfs/dbraw/zinc/29/49/17/573294917.db2.gz MXIXTWYREAXEJU-KCJUWKMLSA-N 0 0 180.222 2.139 10 0 AEAERN COC(=O)[C@@]1(C2CCCC2)C[C@@H]1C 259071782 573294956 /nfs/dbraw/zinc/29/49/56/573294956.db2.gz YFGUOYCMGQWNAA-KWQFWETISA-N 0 0 182.263 2.376 10 0 AEAERN CCC[C@@H](C)CC(=O)c1cncn1C 126057412 573294976 /nfs/dbraw/zinc/29/49/76/573294976.db2.gz AXEITNAFHHYGOO-SECBINFHSA-N 0 0 194.278 2.429 10 0 AEAERN Oc1ccc(N2CCC[C@H](F)C2)cc1 257997379 573294321 /nfs/dbraw/zinc/29/43/21/573294321.db2.gz GBOWIZJRMQBNBI-VIFPVBQESA-N 0 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238338694 573302444 /nfs/dbraw/zinc/30/24/44/573302444.db2.gz XXWQMRHHIJTJIM-NSHDSACASA-N 0 0 196.246 2.090 10 0 AEAERN Cc1cccc(C[C@]2(O)C[C@@H]2C)c1 86198532 573302447 /nfs/dbraw/zinc/30/24/47/573302447.db2.gz LTNSHNWURFEPPI-CMPLNLGQSA-N 0 0 176.259 2.308 10 0 AEAERN CC[C@H]1C[C@@]1(O)Cc1ccccc1 86200192 573302487 /nfs/dbraw/zinc/30/24/87/573302487.db2.gz KBMWJABDGMSBMH-RYUDHWBXSA-N 0 0 176.259 2.390 10 0 AEAERN COC(=C(F)F)c1ccc(N)cc1 238338648 573302488 /nfs/dbraw/zinc/30/24/88/573302488.db2.gz AKUYAGPWMJAUDN-UHFFFAOYSA-N 0 0 185.173 2.480 10 0 AEAERN CC[C@H]1C[C@@]1(O)c1cccc(F)c1 86199758 573302532 /nfs/dbraw/zinc/30/25/32/573302532.db2.gz SHXZGNSJKVEGCT-KWQFWETISA-N 0 0 180.222 2.443 10 0 AEAERN COC(=O)c1coc2cccc(F)c12 238338580 573302533 /nfs/dbraw/zinc/30/25/33/573302533.db2.gz DJOPGGLYLXRMAO-UHFFFAOYSA-N 0 0 194.161 2.359 10 0 AEAERN CC[C@H]1C[C@@]1(O)c1cccc(C)n1 86199879 573302580 /nfs/dbraw/zinc/30/25/80/573302580.db2.gz IBLUNJORZXBNAC-ONGXEEELSA-N 0 0 177.247 2.008 10 0 AEAERN 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193.246 2.223 10 0 AEAERN CC(=O)Cc1ccc2c(c1)[C@@H](C)CN2 258001717 573302926 /nfs/dbraw/zinc/30/29/26/573302926.db2.gz INDIEWJAGBJGBV-QMMMGPOBSA-N 0 0 189.258 2.347 10 0 AEAERN OCC[C@@H]1Cc2ccccc2S1 258285221 573302962 /nfs/dbraw/zinc/30/29/62/573302962.db2.gz UBPBXSCAJMBKQL-SECBINFHSA-N 0 0 180.272 2.086 10 0 AEAERN COc1ccc(/C=C\[C@H](C)O)cc1C 308343529 573302964 /nfs/dbraw/zinc/30/29/64/573302964.db2.gz MFUCGLYXGPEJNM-LWTINBJPSA-N 0 0 192.258 2.398 10 0 AEAERN CCN1c2cccc(O)c2NC[C@@H]1C 259410090 573302989 /nfs/dbraw/zinc/30/29/89/573302989.db2.gz XTHMEOMDWFLXDA-QMMMGPOBSA-N 0 0 192.262 2.033 10 0 AEAERN CC[C@@H]1C[C@]1(O)C(C)(C)C 86199987 573303061 /nfs/dbraw/zinc/30/30/61/573303061.db2.gz SKQLDFQDJAOXLT-VXNVDRBHSA-N 0 0 142.242 2.194 10 0 AEAERN CC[C@H]1C[C@@]1(O)Cc1ccsc1 86199482 573303094 /nfs/dbraw/zinc/30/30/94/573303094.db2.gz SLJPULIOLGVPRU-UWVGGRQHSA-N 0 0 182.288 2.452 10 0 AEAERN CC[C@@H]1C[C@@]1(O)C(C)(C)C 86199990 573303107 /nfs/dbraw/zinc/30/31/07/573303107.db2.gz 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XHDSWFFUGPJMMN-CQXHLCGLSA-N 0 0 136.194 2.264 10 0 AEAERN CCN1C[C@H](C(C)=O)c2ccccc21 258304045 573325724 /nfs/dbraw/zinc/32/57/24/573325724.db2.gz WNMZQSBKCFGXLN-LLVKDONJSA-N 0 0 189.258 2.199 10 0 AEAERN COC(=N)Nc1ccc(Cl)cc1 238342568 573325725 /nfs/dbraw/zinc/32/57/25/573325725.db2.gz RODXLPXBPYRKMI-UHFFFAOYSA-N 0 0 184.626 2.333 10 0 AEAERN O=C(CC1CC1)c1ccc(O)cc1O 117246729 573325742 /nfs/dbraw/zinc/32/57/42/573325742.db2.gz FUGZWKPBAIKAQB-UHFFFAOYSA-N 0 0 192.214 2.081 10 0 AEAERN COC(=O)c1cc(C(C)(C)C)c[nH]1 238342845 573325809 /nfs/dbraw/zinc/32/58/09/573325809.db2.gz FKJKCCNZUUSFCS-UHFFFAOYSA-N 0 0 181.235 2.099 10 0 AEAERN CC[C@H](C)C[C@H](O)c1ncc(C)cn1 132605053 573325820 /nfs/dbraw/zinc/32/58/20/573325820.db2.gz DVOKRUBFBOCNQV-WPRPVWTQSA-N 0 0 194.278 2.255 10 0 AEAERN CC[NH2+][C@H](C)c1ccnc(C(C)C)n1 308552789 573325840 /nfs/dbraw/zinc/32/58/40/573325840.db2.gz YHUNNSIRYVQUSE-SECBINFHSA-N 0 0 193.294 2.271 10 0 AEAERN Cc1coc([C@H](O)[C@H]2CC23CC3)c1 715772108 573325873 /nfs/dbraw/zinc/32/58/73/573325873.db2.gz ICJFBHOOBRRAEI-PSASIEDQSA-N 0 0 178.231 2.422 10 0 AEAERN COCNc1cccc(C)c1C 258629801 573325911 /nfs/dbraw/zinc/32/59/11/573325911.db2.gz KNMFZBFRXVJRSL-UHFFFAOYSA-N 0 0 165.236 2.319 10 0 AEAERN CCOCCCc1ccc(O)cc1 143696849 573325928 /nfs/dbraw/zinc/32/59/28/573325928.db2.gz HYBMEMVKHQKUID-UHFFFAOYSA-N 0 0 180.247 2.361 10 0 AEAERN CC(=O)[C@H]1C(C)=C1[Si](C)(C)C 197314334 573325932 /nfs/dbraw/zinc/32/59/32/573325932.db2.gz HFQMQQMAHQKZIP-MRVPVSSYSA-N 0 0 168.312 2.399 10 0 AEAERN NOCCc1ccc(C(F)F)cc1 258003841 573325964 /nfs/dbraw/zinc/32/59/64/573325964.db2.gz GTMTWHQRSGOKLZ-UHFFFAOYSA-N 0 0 187.189 2.057 10 0 AEAERN CCC(CC)[C@H](O)c1ncc(C)cn1 132598966 573325967 /nfs/dbraw/zinc/32/59/67/573325967.db2.gz PLWBMHHLZJXBQW-JTQLQIEISA-N 0 0 194.278 2.255 10 0 AEAERN CC(C)(O)c1c[nH]c2cc(O)ccc12 258004271 573325968 /nfs/dbraw/zinc/32/59/68/573325968.db2.gz CEUKTGJTICGVAP-UHFFFAOYSA-N 0 0 191.230 2.101 10 0 AEAERN O=c1ccc2c(cc1)C=COC=C2 197310550 573326021 /nfs/dbraw/zinc/32/60/21/573326021.db2.gz OXQOILUGLAYVTH-UHFFFAOYSA-N 0 0 172.183 2.018 10 0 AEAERN CNc1ccccc1[C@@H](C)[C@H](C)O 238343029 573326109 /nfs/dbraw/zinc/32/61/09/573326109.db2.gz DZRXYAMDNVYUQU-IUCAKERBSA-N 0 0 179.263 2.213 10 0 AEAERN OC1(c2ccc3[nH]ccc3c2F)CC1 258003802 573326153 /nfs/dbraw/zinc/32/61/53/573326153.db2.gz GSLIGAKZTKRDHZ-UHFFFAOYSA-N 0 0 191.205 2.288 10 0 AEAERN CCCC(=O)N[C@@H](C)C(C)(C)C 132629106 573326234 /nfs/dbraw/zinc/32/62/34/573326234.db2.gz GKAHKQLXCCXNLY-QMMMGPOBSA-N 0 0 171.284 2.337 10 0 AEAERN Cc1cnc([C@@H](O)CCC2CC2)nc1 132625213 573326277 /nfs/dbraw/zinc/32/62/77/573326277.db2.gz PJGMJQALAHOJLV-JTQLQIEISA-N 0 0 192.262 2.009 10 0 AEAERN CNc1ccccc1-c1nncs1 238344016 573326334 /nfs/dbraw/zinc/32/63/34/573326334.db2.gz INYJKBHCVXQRDS-UHFFFAOYSA-N 0 0 191.259 2.247 10 0 AEAERN CNc1ccccc1[C@H](C)[C@H](C)O 238343438 573326367 /nfs/dbraw/zinc/32/63/67/573326367.db2.gz DZRXYAMDNVYUQU-BDAKNGLRSA-N 0 0 179.263 2.213 10 0 AEAERN CCC[C@@H](OC)c1nc(C(C)=O)c[nH]1 308550405 573327107 /nfs/dbraw/zinc/32/71/07/573327107.db2.gz PTDIJUKXBVIQHE-SECBINFHSA-N 0 0 196.250 2.100 10 0 AEAERN Cc1cnc([C@H](O)CCC(C)C)nc1 132610237 573326417 /nfs/dbraw/zinc/32/64/17/573326417.db2.gz KXNXNDJYWTZBNJ-SNVBAGLBSA-N 0 0 194.278 2.255 10 0 AEAERN CCCC[C@H](O)c1ncc(C)cn1 132621202 573326523 /nfs/dbraw/zinc/32/65/23/573326523.db2.gz PUMHKBJKQUZCST-VIFPVBQESA-N 0 0 180.251 2.009 10 0 AEAERN CC1(C)C(Nc2nncs2)C1(C)C 86240508 573326863 /nfs/dbraw/zinc/32/68/63/573326863.db2.gz MAENQLOTSBUBCZ-UHFFFAOYSA-N 0 0 197.307 2.385 10 0 AEAERN Cc1coc([C@@H](O)[C@H]2CC23CC3)c1 715772112 573326945 /nfs/dbraw/zinc/32/69/45/573326945.db2.gz ICJFBHOOBRRAEI-SCZZXKLOSA-N 0 0 178.231 2.422 10 0 AEAERN CC(C)[C@@]([NH3+])(C(=O)[O-])C1CCCCC1 106876909 573328525 /nfs/dbraw/zinc/32/85/25/573328525.db2.gz ZHKNSIDRUDBTFC-NSHDSACASA-N 0 0 199.294 2.005 10 0 AEAERN C[N@H+](CCCC(=O)[O-])C1(C)CCCC1 308549219 573328548 /nfs/dbraw/zinc/32/85/48/573328548.db2.gz WUCLXHFVJBTTPK-UHFFFAOYSA-N 0 0 199.294 2.116 10 0 AEAERN CCC(=O)C1=C(O)[C@@H](C)CC[C@@H]1C 100267691 573328553 /nfs/dbraw/zinc/32/85/53/573328553.db2.gz SEVYIJXSYHNYMU-OYNCUSHFSA-N 0 0 182.263 2.217 10 0 AEAERN COc1ccc([C@H](C)NC=S)cc1 238343885 573328606 /nfs/dbraw/zinc/32/86/06/573328606.db2.gz NCXGSKZLSNDNJX-QMMMGPOBSA-N 0 0 195.287 2.303 10 0 AEAERN CC1(C)C(Nc2cccnn2)C1(C)C 86240505 573328628 /nfs/dbraw/zinc/32/86/28/573328628.db2.gz XGQJQSWTFUTHGP-UHFFFAOYSA-N 0 0 191.278 2.323 10 0 AEAERN CC(C)CC1(C(=O)[O-])CCC([NH3+])CC1 106876930 573328701 /nfs/dbraw/zinc/32/87/01/573328701.db2.gz SPNIENOJGZGDNR-UHFFFAOYSA-N 0 0 199.294 2.005 10 0 AEAERN COc1cccc(C[C@H](C)CO)c1F 214430076 573328723 /nfs/dbraw/zinc/32/87/23/573328723.db2.gz XCJKHNVBLAJYQK-QMMMGPOBSA-N 0 0 198.237 2.005 10 0 AEAERN Nc1ccc(-c2ccoc2)cc1O 143619256 573328846 /nfs/dbraw/zinc/32/88/46/573328846.db2.gz MAZFSQAWBBFICX-UHFFFAOYSA-N 0 0 175.187 2.234 10 0 AEAERN CNC(=O)c1ccccc1C=C(F)F 238343718 573328855 /nfs/dbraw/zinc/32/88/55/573328855.db2.gz MTHPHRBRZNCVBT-UHFFFAOYSA-N 0 0 197.184 2.284 10 0 AEAERN CN(C)[C@@H](C1CCC1)C(F)(F)F 259085846 573328884 /nfs/dbraw/zinc/32/88/84/573328884.db2.gz FXELJDZRNUIMJW-ZETCQYMHSA-N 0 0 181.201 2.279 10 0 AEAERN CCC(=O)C1=C(O)[C@@H](C)CC[C@H]1C 100267685 573328887 /nfs/dbraw/zinc/32/88/87/573328887.db2.gz SEVYIJXSYHNYMU-KHQFGBGNSA-N 0 0 182.263 2.217 10 0 AEAERN COc1cc(C)cc(C[C@H](C)O)c1F 258003491 573328941 /nfs/dbraw/zinc/32/89/41/573328941.db2.gz CEZZXMKOYNIKEJ-QMMMGPOBSA-N 0 0 198.237 2.066 10 0 AEAERN O=C1[C@H]2C[C@@H]3CC=CC[C@@H]1[C@H]3C2 222666282 573328976 /nfs/dbraw/zinc/32/89/76/573328976.db2.gz VHNGPINWEDWEPC-QEYWKRMJSA-N 0 0 162.232 2.178 10 0 AEAERN C=Cc1ccc2c(n1)CCCC2=O 117167050 573329160 /nfs/dbraw/zinc/32/91/60/573329160.db2.gz BBMUPGGHEIDGEI-UHFFFAOYSA-N 0 0 173.215 2.244 10 0 AEAERN CC1(C)C(Nc2ccncn2)C1(C)C 86240511 573329163 /nfs/dbraw/zinc/32/91/63/573329163.db2.gz QQSGXILUABEAFT-UHFFFAOYSA-N 0 0 191.278 2.323 10 0 AEAERN CC[C@@H]1O[C@H](C(C)=O)CC=C1C 208790597 573329182 /nfs/dbraw/zinc/32/91/82/573329182.db2.gz CETYMYKXBKHWFF-UWVGGRQHSA-N 0 0 168.236 2.089 10 0 AEAERN CC(C)[C@]([NH3+])(C(=O)[O-])C1CCCCC1 106876906 573329218 /nfs/dbraw/zinc/32/92/18/573329218.db2.gz ZHKNSIDRUDBTFC-LLVKDONJSA-N 0 0 199.294 2.005 10 0 AEAERN COC(=O)c1c(C(C)(C)C)ccn1C 259418798 573329230 /nfs/dbraw/zinc/32/92/30/573329230.db2.gz LEOPIBFJJAUCCJ-UHFFFAOYSA-N 0 0 195.262 2.109 10 0 AEAERN CC1(C)C(n2cncc2C=O)C1(C)C 86240960 573329357 /nfs/dbraw/zinc/32/93/57/573329357.db2.gz KCNPLIVBEOARFA-UHFFFAOYSA-N 0 0 192.262 2.303 10 0 AEAERN CCC[C@H](OC)c1nc(C(C)=O)c[nH]1 308550408 573329469 /nfs/dbraw/zinc/32/94/69/573329469.db2.gz PTDIJUKXBVIQHE-VIFPVBQESA-N 0 0 196.250 2.100 10 0 AEAERN COc1ccc(CC2CC2)cc1O 238359754 573329480 /nfs/dbraw/zinc/32/94/80/573329480.db2.gz AKDBDNKSDRQHQK-UHFFFAOYSA-N 0 0 178.231 2.353 10 0 AEAERN CSCCOc1cccc(O)c1C 129516045 573329522 /nfs/dbraw/zinc/32/95/22/573329522.db2.gz FPVCYMVKAPGTGL-UHFFFAOYSA-N 0 0 198.287 2.442 10 0 AEAERN CN(C)[C@H](C1CCC1)C(F)(F)F 259085844 573329555 /nfs/dbraw/zinc/32/95/55/573329555.db2.gz FXELJDZRNUIMJW-SSDOTTSWSA-N 0 0 181.201 2.279 10 0 AEAERN C=Cc1ccc2c(c1)OCCC2=O 117169648 573329591 /nfs/dbraw/zinc/32/95/91/573329591.db2.gz OVFZXGQQIPXSBF-UHFFFAOYSA-N 0 0 174.199 2.295 10 0 AEAERN Cc1ccc(OC(N)=O)c(C)c1C 117258521 573329602 /nfs/dbraw/zinc/32/96/02/573329602.db2.gz RRYHVVZMEAOJPG-UHFFFAOYSA-N 0 0 179.219 2.069 10 0 AEAERN CC1(C)C(NCC(F)F)C1(C)C 86240258 573329623 /nfs/dbraw/zinc/32/96/23/573329623.db2.gz PSYKVBPVUCQYLW-UHFFFAOYSA-N 0 0 177.238 2.276 10 0 AEAERN CCCC(=O)Oc1cccc(O)c1 117233591 573329682 /nfs/dbraw/zinc/32/96/82/573329682.db2.gz JXZDAFPSAJTZRG-UHFFFAOYSA-N 0 0 180.203 2.098 10 0 AEAERN CCCC1(c2cnc(CNC)o2)CC1 308549744 573329684 /nfs/dbraw/zinc/32/96/84/573329684.db2.gz RGVDBXRLJRQZKV-UHFFFAOYSA-N 0 0 194.278 2.226 10 0 AEAERN S=c1nccc(C2CCCC2)[nH]1 259085576 573329706 /nfs/dbraw/zinc/32/97/06/573329706.db2.gz MKRJGPXBIPBTIM-UHFFFAOYSA-N 0 0 180.276 2.423 10 0 AEAERN COc1ccccc1N[C@H](C)C(C)=O 238358470 573329719 /nfs/dbraw/zinc/32/97/19/573329719.db2.gz SHHPVWIGGVHGSD-MRVPVSSYSA-N 0 0 193.246 2.085 10 0 AEAERN COc1cc2ncccc2cc1F 143612082 573329816 /nfs/dbraw/zinc/32/98/16/573329816.db2.gz BEYVEZILQNIYFJ-UHFFFAOYSA-N 0 0 177.178 2.383 10 0 AEAERN CNC(=S)C1=CCCCC1 238358489 573329818 /nfs/dbraw/zinc/32/98/18/573329818.db2.gz VMPKERQCSQGTTL-UHFFFAOYSA-N 0 0 155.266 2.034 10 0 AEAERN CCc1[nH]c2ccccc2c1N 74341837 573330007 /nfs/dbraw/zinc/33/00/07/573330007.db2.gz MSEHBVKOXAMOFB-UHFFFAOYSA-N 0 0 160.220 2.313 10 0 AEAERN CC[C@H](CO)C1(C(C)(C)C)COC1 259417521 573330042 /nfs/dbraw/zinc/33/00/42/573330042.db2.gz YONQVLIDKRLIOG-SECBINFHSA-N 0 0 186.295 2.068 10 0 AEAERN Cc1coc([C@H](O)[C@H]2C[C@@H]2C)c1 715772759 573330060 /nfs/dbraw/zinc/33/00/60/573330060.db2.gz JYQAXPDQWYEQSG-OYNCUSHFSA-N 0 0 166.220 2.277 10 0 AEAERN CCONCCc1ccc(Cl)cc1 308549649 573331185 /nfs/dbraw/zinc/33/11/85/573331185.db2.gz XCQBSTLBYNEMDR-UHFFFAOYSA-N 0 0 199.681 2.424 10 0 AEAERN CC(C)CCc1cccc(N)n1 74340201 573331188 /nfs/dbraw/zinc/33/11/88/573331188.db2.gz HBJAYLQPHMGMMT-UHFFFAOYSA-N 0 0 164.252 2.252 10 0 AEAERN Cc1nn([C@@H]2CCC[C@@H]3C[C@@H]32)cc1N 716714834 573331231 /nfs/dbraw/zinc/33/12/31/573331231.db2.gz AIOWNTCSEXJEBP-WCABBAIRSA-N 0 0 191.278 2.135 10 0 AEAERN COc1ccc2c(c1)[C@H]([C@@H](C)O)CC2 86244969 573331295 /nfs/dbraw/zinc/33/12/95/573331295.db2.gz KJXRNZIFOCZZSP-KCJUWKMLSA-N 0 0 192.258 2.106 10 0 AEAERN COc1cc(F)nc(C(F)F)c1C 238359262 573331341 /nfs/dbraw/zinc/33/13/41/573331341.db2.gz PUTSFYLNKHBQKL-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN C[C@@]12Cc3ccccc3C(=O)[C@@H]1C2 224052577 573331408 /nfs/dbraw/zinc/33/14/08/573331408.db2.gz SUJBJMXDABDEGZ-JQWIXIFHSA-N 0 0 172.227 2.452 10 0 AEAERN Cc1cc(C)c(N(C)C(N)=O)c(C)c1 258630795 573331615 /nfs/dbraw/zinc/33/16/15/573331615.db2.gz DPYABVYRHSNMPQ-UHFFFAOYSA-N 0 0 192.262 2.127 10 0 AEAERN CCC[C@H](C)n1cccn1 223029022 573331644 /nfs/dbraw/zinc/33/16/44/573331644.db2.gz YLKMQANLRGXIHW-QMMMGPOBSA-N 0 0 138.214 2.244 10 0 AEAERN COc1ccc(NCCCF)c(N)c1 308549033 573331646 /nfs/dbraw/zinc/33/16/46/573331646.db2.gz PCAMFJSCGWAFLK-UHFFFAOYSA-N 0 0 198.241 2.049 10 0 AEAERN COc1cc(F)nc(C)c1C(F)F 238359858 573331663 /nfs/dbraw/zinc/33/16/63/573331663.db2.gz BTQZZODIXPERSA-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN Oc1ccc(-c2cccnc2)c(O)c1 117299551 573331741 /nfs/dbraw/zinc/33/17/41/573331741.db2.gz QGIIUQKOKJXLED-UHFFFAOYSA-N 0 0 187.198 2.160 10 0 AEAERN Nc1cc2c(cn1)[nH]c1ccc(O)cc12 258003154 573331775 /nfs/dbraw/zinc/33/17/75/573331775.db2.gz GNMNLQXLBJCVKU-UHFFFAOYSA-N 0 0 199.213 2.004 10 0 AEAERN COc1cc(C)cc(C[C@@H](C)O)c1F 258003488 573331811 /nfs/dbraw/zinc/33/18/11/573331811.db2.gz CEZZXMKOYNIKEJ-MRVPVSSYSA-N 0 0 198.237 2.066 10 0 AEAERN Oc1ccc(Cc2ccoc2)c(O)c1 117304612 573331831 /nfs/dbraw/zinc/33/18/31/573331831.db2.gz LOAGBHXAWVQEGF-UHFFFAOYSA-N 0 0 190.198 2.282 10 0 AEAERN COc1cc(F)nc(C(F)F)c1 238359216 573331881 /nfs/dbraw/zinc/33/18/81/573331881.db2.gz QVHTWMLRCDRWMF-UHFFFAOYSA-N 0 0 177.125 2.167 10 0 AEAERN Cc1cc(F)c(C)c(C=O)c1F 258002650 573331885 /nfs/dbraw/zinc/33/18/85/573331885.db2.gz LZRUBUQFBKKUKD-UHFFFAOYSA-N 0 0 170.158 2.394 10 0 AEAERN COc1cc(F)nc(C(F)F)c1F 238359614 573331890 /nfs/dbraw/zinc/33/18/90/573331890.db2.gz GKPZILMURONGTK-UHFFFAOYSA-N 0 0 195.115 2.306 10 0 AEAERN COc1cc(C(F)F)c(F)c(F)n1 238344322 573331923 /nfs/dbraw/zinc/33/19/23/573331923.db2.gz CKWHYLZQMWUNBG-UHFFFAOYSA-N 0 0 195.115 2.306 10 0 AEAERN CC(C)c1ccncc1[C@H](C)O 259420648 573331941 /nfs/dbraw/zinc/33/19/41/573331941.db2.gz SUGPEWODDCLYQN-QMMMGPOBSA-N 0 0 165.236 2.258 10 0 AEAERN CC[C@@]1(O)CCc2ccc(OC)cc21 86244732 573331971 /nfs/dbraw/zinc/33/19/71/573331971.db2.gz NMABFYGURONYPV-GFCCVEGCSA-N 0 0 192.258 2.239 10 0 AEAERN O=Cc1cc2[nH]c3ccccc3c2[nH]1 259420534 573331986 /nfs/dbraw/zinc/33/19/86/573331986.db2.gz SSKCUYMHNMNEAG-UHFFFAOYSA-N 0 0 184.198 2.462 10 0 AEAERN CC(=O)c1nc(C)cc(C(C)(C)C)n1 259088962 573334248 /nfs/dbraw/zinc/33/42/48/573334248.db2.gz MQTWRDPRDQGYGU-UHFFFAOYSA-N 0 0 192.262 2.285 10 0 AEAERN Cc1nc2c(N)c(Cl)ccn2c1C 74377360 573334889 /nfs/dbraw/zinc/33/48/89/573334889.db2.gz AJYMXXLPRFBCQY-UHFFFAOYSA-N 0 0 195.653 2.187 10 0 AEAERN CCC/C=C/C[C@@H](C)O 117387870 573334543 /nfs/dbraw/zinc/33/45/43/573334543.db2.gz NIQPTHLPUOKHML-HQZHTGGTSA-N 0 0 128.215 2.114 10 0 AEAERN CC(C)C(=O)[C@H](O)C1CCCCC1 143655028 573334584 /nfs/dbraw/zinc/33/45/84/573334584.db2.gz YDMWDJKDOGBGFK-LLVKDONJSA-N 0 0 184.279 2.153 10 0 AEAERN C[C@@H](O)C[C@@H]1CNc2ccc(F)cc21 258003593 573334604 /nfs/dbraw/zinc/33/46/04/573334604.db2.gz INZLUBDCYZAINC-HTQZYQBOSA-N 0 0 195.237 2.106 10 0 AEAERN Cc1nc2c(N)ccc(Cl)n2c1C 74375703 573334632 /nfs/dbraw/zinc/33/46/32/573334632.db2.gz XWFKYBAXOQAXFC-UHFFFAOYSA-N 0 0 195.653 2.187 10 0 AEAERN CC[C@@H]1CCC[C@H]([C@H]([NH3+])CC(=O)[O-])C1 308560220 573334698 /nfs/dbraw/zinc/33/46/98/573334698.db2.gz DVTSVLXTEOLSCT-KXUCPTDWSA-N 0 0 199.294 2.005 10 0 AEAERN Cc1nn2ccsc2c1N=O 143511382 573334708 /nfs/dbraw/zinc/33/47/08/573334708.db2.gz FLLQOCRCURJALX-UHFFFAOYSA-N 0 0 167.193 2.102 10 0 AEAERN COCCC[C@H](O)CC1(C)CCC1 308349570 573334825 /nfs/dbraw/zinc/33/48/25/573334825.db2.gz XRDQYVVIUPUWKX-JTQLQIEISA-N 0 0 186.295 2.354 10 0 AEAERN CCC(=O)c1ccc2c(c1)CCN2C 74361891 573334829 /nfs/dbraw/zinc/33/48/29/573334829.db2.gz CBZQTXFEFRFJNQ-UHFFFAOYSA-N 0 0 189.258 2.272 10 0 AEAERN O=C1CC[C@@H]2[C@H]1C21CCCC1 143636253 573334855 /nfs/dbraw/zinc/33/48/55/573334855.db2.gz VYZCXMUFRCXVBI-VXNVDRBHSA-N 0 0 150.221 2.156 10 0 AEAERN CC(C)CC1=N[C@H](C(C)C)CO1 143518109 573334870 /nfs/dbraw/zinc/33/48/70/573334870.db2.gz ZXYKEXADEPWSLI-VIFPVBQESA-N 0 0 169.268 2.486 10 0 AEAERN COc1ccc(C(F)F)c(OC)n1 238355946 573337692 /nfs/dbraw/zinc/33/76/92/573337692.db2.gz YHBPLWHTDWENDH-UHFFFAOYSA-N 0 0 189.161 2.036 10 0 AEAERN CC1C[C@H]2CC(CO)C[C@@H]2C1 258631380 573337761 /nfs/dbraw/zinc/33/77/61/573337761.db2.gz XVYITEZUHCJSPT-QLEHZGMVSA-N 0 0 154.253 2.051 10 0 AEAERN CO[C@@H]1[C@@H](C)[C@@H]1c1ccc(O)cc1 238354303 573337789 /nfs/dbraw/zinc/33/77/89/573337789.db2.gz ZXSVKXXYFRDHLU-WHGOUJPWSA-N 0 0 178.231 2.141 10 0 AEAERN CNc1ncc(C)cc1Cl 238354963 573337895 /nfs/dbraw/zinc/33/78/95/573337895.db2.gz YDKOKLIXYQWQIU-UHFFFAOYSA-N 0 0 156.616 2.085 10 0 AEAERN CCc1sc(CC(=O)OC)cc1C 259608766 573337963 /nfs/dbraw/zinc/33/79/63/573337963.db2.gz GZYRATUFDVJQHM-UHFFFAOYSA-N 0 0 198.287 2.334 10 0 AEAERN CC[C@](C)(O)C(=O)CC1(C)CCC1 308349530 573337996 /nfs/dbraw/zinc/33/79/96/573337996.db2.gz XQNQWJJFJPXLAN-NSHDSACASA-N 0 0 184.279 2.297 10 0 AEAERN CCc1ccncc1CCC(C)=O 259086983 573338000 /nfs/dbraw/zinc/33/80/00/573338000.db2.gz DAQZGCMZCDVTGX-UHFFFAOYSA-N 0 0 177.247 2.166 10 0 AEAERN COc1cc(F)cc2sncc12 238354713 573338019 /nfs/dbraw/zinc/33/80/19/573338019.db2.gz WLBTZVUAJIMSPZ-UHFFFAOYSA-N 0 0 183.207 2.444 10 0 AEAERN CCc1ccc(C)c(O)c1C(=O)OC 238355571 573338059 /nfs/dbraw/zinc/33/80/59/573338059.db2.gz YMHHGQAYTNVENS-UHFFFAOYSA-N 0 0 194.230 2.050 10 0 AEAERN Cc1cccc([C@H]2OCC[C@H]2CO)c1 86250896 573338066 /nfs/dbraw/zinc/33/80/66/573338066.db2.gz KBPDEXDXCAHSCC-NWDGAFQWSA-N 0 0 192.258 2.065 10 0 AEAERN CC(C)c1cccc([C@H](C)C(N)=O)c1 117421088 573338067 /nfs/dbraw/zinc/33/80/67/573338067.db2.gz XGVQJZDTGHZGSD-VIFPVBQESA-N 0 0 191.274 2.399 10 0 AEAERN Cc1cscc1[C@@H](CC1CC1)NN 129531542 573338224 /nfs/dbraw/zinc/33/82/24/573338224.db2.gz LQRIRAWPCAZXKZ-SNVBAGLBSA-N 0 0 196.319 2.361 10 0 AEAERN C=CC(=O)NCCCCC(F)(F)F 124134168 573338387 /nfs/dbraw/zinc/33/83/87/573338387.db2.gz DMJVPHKWBNOXNC-UHFFFAOYSA-N 0 0 195.184 2.021 10 0 AEAERN OC[C@@H]1CCCO[C@H]1[C@H]1CC=CCC1 86252044 573342039 /nfs/dbraw/zinc/34/20/39/573342039.db2.gz YNFMJMHUJCGAMU-SRVKXCTJSA-N 0 0 196.290 2.130 10 0 AEAERN CNc1nccc2c(F)cccc12 74389183 573342076 /nfs/dbraw/zinc/34/20/76/573342076.db2.gz SRDCTCQZOMZNMA-UHFFFAOYSA-N 0 0 176.194 2.416 10 0 AEAERN Cc1sc(N)cc1-c1ccn(C)n1 107085140 573342149 /nfs/dbraw/zinc/34/21/49/573342149.db2.gz NHMBUDXABKRFAT-UHFFFAOYSA-N 0 0 193.275 2.039 10 0 AEAERN COc1c(C)cc(C)c(C)c1C=O 238357694 573342286 /nfs/dbraw/zinc/34/22/86/573342286.db2.gz KLRIMMVLIUUYFJ-UHFFFAOYSA-N 0 0 178.231 2.433 10 0 AEAERN OC[C@H]1CCO[C@H]1C1CCCCCC1 86251211 573342299 /nfs/dbraw/zinc/34/22/99/573342299.db2.gz UXNCPVIWVPLYRR-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN CC[C@@]1(CO)Cc2cc(C)ccc2N1 258287710 573342314 /nfs/dbraw/zinc/34/23/14/573342314.db2.gz UGSZOCRDHVQVAJ-LBPRGKRZSA-N 0 0 191.274 2.104 10 0 AEAERN CC1CCC([C@H]2OCC[C@H]2CO)CC1 86251726 573342317 /nfs/dbraw/zinc/34/23/17/573342317.db2.gz IZCVQBITDWCPTC-MMVSWEMESA-N 0 0 198.306 2.210 10 0 AEAERN COc1cncc(C(=O)C2CCC2)c1 124150494 573342367 /nfs/dbraw/zinc/34/23/67/573342367.db2.gz DICSCEKAYOYZHW-UHFFFAOYSA-N 0 0 191.230 2.073 10 0 AEAERN OC[C@H]1CCCO[C@@H]1c1ccccc1 86252346 573342373 /nfs/dbraw/zinc/34/23/73/573342373.db2.gz OGWGPNINJVTKKO-VXGBXAGGSA-N 0 0 192.258 2.147 10 0 AEAERN OC[C@@H]1CCCO[C@@H]1c1cccs1 86252117 573342403 /nfs/dbraw/zinc/34/24/03/573342403.db2.gz DSPOHDBYCPZQRY-WPRPVWTQSA-N 0 0 198.287 2.208 10 0 AEAERN CNOCCCc1ccc(C)cc1 258005510 573342439 /nfs/dbraw/zinc/34/24/39/573342439.db2.gz QLPUYVNOGBANBV-UHFFFAOYSA-N 0 0 179.263 2.079 10 0 AEAERN CC1CCC([C@H]2OCC[C@@H]2CO)CC1 86251731 573342444 /nfs/dbraw/zinc/34/24/44/573342444.db2.gz IZCVQBITDWCPTC-KIDURHIOSA-N 0 0 198.306 2.210 10 0 AEAERN COc1c(C)cc(C(F)F)nc1F 238357278 573342459 /nfs/dbraw/zinc/34/24/59/573342459.db2.gz CWKUIMVLZIJHAA-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN CC(C)[C@@H]1CNc2c(N)cccc2O1 74405044 573342478 /nfs/dbraw/zinc/34/24/78/573342478.db2.gz JYPINVOKGFNVOD-JTQLQIEISA-N 0 0 192.262 2.098 10 0 AEAERN Cc1ccsc1[C@@H]1OCC[C@@H]1CO 86251155 573342528 /nfs/dbraw/zinc/34/25/28/573342528.db2.gz WWQDLZNNSQXELW-RKDXNWHRSA-N 0 0 198.287 2.126 10 0 AEAERN Cc1ccsc1[C@H]1OCC[C@@H]1CO 86251154 573342624 /nfs/dbraw/zinc/34/26/24/573342624.db2.gz WWQDLZNNSQXELW-BDAKNGLRSA-N 0 0 198.287 2.126 10 0 AEAERN CCC[C@H](O)CC1(COC)CCC1 308351602 573342640 /nfs/dbraw/zinc/34/26/40/573342640.db2.gz YQZQABGCRNDBIN-JTQLQIEISA-N 0 0 186.295 2.354 10 0 AEAERN CC(C)(O)c1cc2c(O)cccc2[nH]1 258287723 573342652 /nfs/dbraw/zinc/34/26/52/573342652.db2.gz UHQIZCLEVLOENP-UHFFFAOYSA-N 0 0 191.230 2.101 10 0 AEAERN Nc1onc2cccc(Cl)c12 107077910 573342684 /nfs/dbraw/zinc/34/26/84/573342684.db2.gz UNSNHYHGLFAZRQ-UHFFFAOYSA-N 0 0 168.583 2.063 10 0 AEAERN CCCNc1cccc(OCC)c1N 129557972 573342691 /nfs/dbraw/zinc/34/26/91/573342691.db2.gz WFRJZBQMJGLREP-UHFFFAOYSA-N 0 0 194.278 2.489 10 0 AEAERN CC(C)(C)c1cc(Cl)c(=O)[nH]n1 259424698 573347806 /nfs/dbraw/zinc/34/78/06/573347806.db2.gz KLUFJBOYLYSPQB-UHFFFAOYSA-N 0 0 186.642 2.133 10 0 AEAERN CCc1cc(N)sc1CC 107105236 573347870 /nfs/dbraw/zinc/34/78/70/573347870.db2.gz DEJOHOIBHZQSCW-UHFFFAOYSA-N 0 0 155.266 2.455 10 0 AEAERN COc1ccc(C)c(OC)c1[C@H](C)O 238363033 573347115 /nfs/dbraw/zinc/34/71/15/573347115.db2.gz VAJVMGGOELWZAB-QMMMGPOBSA-N 0 0 196.246 2.066 10 0 AEAERN Cc1nn(CC(=O)C(C)C)c(C)c1C 86276777 573347208 /nfs/dbraw/zinc/34/72/08/573347208.db2.gz MJZZRVKBVZJEAA-UHFFFAOYSA-N 0 0 194.278 2.033 10 0 AEAERN COc1cc(F)c2c(c1F)CCC2=O 238363171 573347243 /nfs/dbraw/zinc/34/72/43/573347243.db2.gz PWZPLXKCYIURRZ-UHFFFAOYSA-N 0 0 198.168 2.102 10 0 AEAERN CCC(CC)[C@H](O)c1cn(CC)cn1 308556218 573347289 /nfs/dbraw/zinc/34/72/89/573347289.db2.gz SLUAWWXGZCLFQU-NSHDSACASA-N 0 0 196.294 2.373 10 0 AEAERN CCO[C@@H](C)[C@H](O)c1cc(C)co1 715778191 573347344 /nfs/dbraw/zinc/34/73/44/573347344.db2.gz JETLMTABDWBMIF-WPRPVWTQSA-N 0 0 184.235 2.046 10 0 AEAERN CCCc1nnc2n1CCC[C@H]2C 258292749 573347598 /nfs/dbraw/zinc/34/75/98/573347598.db2.gz JAMZTRLCJBPKQY-MRVPVSSYSA-N 0 0 179.267 2.128 10 0 AEAERN CCO[C@H](CC)[C@@H](O)c1cc(C)co1 715781686 573347731 /nfs/dbraw/zinc/34/77/31/573347731.db2.gz TVTRAYXHNPDGIW-MWLCHTKSSA-N 0 0 198.262 2.437 10 0 AEAERN CCC1(C[C@H](O)[C@@H]2CCCO2)CCC1 308557936 573347743 /nfs/dbraw/zinc/34/77/43/573347743.db2.gz CHCMTMIISGYGMT-QWRGUYRKSA-N 0 0 198.306 2.497 10 0 AEAERN CC[C@H](SCC=C1CCC1)C(N)=O 308358181 573347751 /nfs/dbraw/zinc/34/77/51/573347751.db2.gz LHJOWGSXEPSRRK-VIFPVBQESA-N 0 0 199.319 2.094 10 0 AEAERN CCO[C@H](C)[C@H](O)c1cc(C)co1 715778185 573348021 /nfs/dbraw/zinc/34/80/21/573348021.db2.gz JETLMTABDWBMIF-SCZZXKLOSA-N 0 0 184.235 2.046 10 0 AEAERN COc1nc(C(F)F)cc(F)c1C 238365667 573348022 /nfs/dbraw/zinc/34/80/22/573348022.db2.gz RUABDNBIDRJVNT-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN CCO[C@@H](CC)[C@H](O)c1cc(C)co1 715781688 573348049 /nfs/dbraw/zinc/34/80/49/573348049.db2.gz TVTRAYXHNPDGIW-ONGXEEELSA-N 0 0 198.262 2.437 10 0 AEAERN COc1c(C)ccc2oncc12 238365051 573348105 /nfs/dbraw/zinc/34/81/05/573348105.db2.gz XDYYYHYQROHDCX-UHFFFAOYSA-N 0 0 163.176 2.145 10 0 AEAERN COc1cccc(C)c1C(O)=S 238365319 573348123 /nfs/dbraw/zinc/34/81/23/573348123.db2.gz KFSXQVWWEIOIQN-UHFFFAOYSA-N 0 0 182.244 2.237 10 0 AEAERN CO[C@H]1C[C@H](C(C)(C)C)CC[C@H]1O 238366211 573348181 /nfs/dbraw/zinc/34/81/81/573348181.db2.gz GWRIRXQYKOSNPX-BBBLOLIVSA-N 0 0 186.295 2.209 10 0 AEAERN CCc1sc(N)c2c1CCC2 107102066 573348255 /nfs/dbraw/zinc/34/82/55/573348255.db2.gz NUWQFYUNDBQNDN-UHFFFAOYSA-N 0 0 167.277 2.381 10 0 AEAERN CCC[C@@H](OC)[C@H](O)c1ccoc1 132894122 573348330 /nfs/dbraw/zinc/34/83/30/573348330.db2.gz HZURTBOXHYVWOT-NXEZZACHSA-N 0 0 184.235 2.128 10 0 AEAERN CC[C@H](CC(C)=O)SC 117559382 573348334 /nfs/dbraw/zinc/34/83/34/573348334.db2.gz HEDCGDLOBIGGAH-SSDOTTSWSA-N 0 0 146.255 2.107 10 0 AEAERN Nc1ccc(C2CCCC2)[nH]1 107106616 573348342 /nfs/dbraw/zinc/34/83/42/573348342.db2.gz NRYVXVFZDRZAHA-UHFFFAOYSA-N 0 0 150.225 2.255 10 0 AEAERN CNC(=S)OCc1ccccc1C 238365654 573348372 /nfs/dbraw/zinc/34/83/72/573348372.db2.gz CGKOMPBFHJTIDM-UHFFFAOYSA-N 0 0 195.287 2.016 10 0 AEAERN COc1ccc(C)c2cnoc12 238365960 573348404 /nfs/dbraw/zinc/34/84/04/573348404.db2.gz CRLGUWRITNBTKV-UHFFFAOYSA-N 0 0 163.176 2.145 10 0 AEAERN CC[C@H](C)[C@H](CC)CO 78106831 573348445 /nfs/dbraw/zinc/34/84/45/573348445.db2.gz ALPFTHGDLMTYRM-JGVFFNPUSA-N 0 0 130.231 2.051 10 0 AEAERN CCN(c1cccc(C)c1)[C@H](C)CO 308556765 573348518 /nfs/dbraw/zinc/34/85/18/573348518.db2.gz STDNTYLOGKNFMI-LLVKDONJSA-N 0 0 193.290 2.202 10 0 AEAERN CCCC(=O)c1ccnc(OC)c1F 308557524 573348523 /nfs/dbraw/zinc/34/85/23/573348523.db2.gz UAVHNELAJJDTLO-UHFFFAOYSA-N 0 0 197.209 2.212 10 0 AEAERN CCCC(C)(C)[NH2+]Cc1ncccn1 126104550 573348556 /nfs/dbraw/zinc/34/85/56/573348556.db2.gz VAEQYHWKSRDFPR-UHFFFAOYSA-N 0 0 193.294 2.145 10 0 AEAERN COc1cncc(C(=O)C2(C)CC2)c1 124168268 573348664 /nfs/dbraw/zinc/34/86/64/573348664.db2.gz PKBXHIXUNSCKIP-UHFFFAOYSA-N 0 0 191.230 2.073 10 0 AEAERN C[C@H](O)CCCNc1ccc(F)cc1 308561077 573357208 /nfs/dbraw/zinc/35/72/08/573357208.db2.gz FHSKWBRBUMCAPV-VIFPVBQESA-N 0 0 197.253 2.399 10 0 AEAERN Oc1cccc(-c2cnoc2)c1 107119919 573357209 /nfs/dbraw/zinc/35/72/09/573357209.db2.gz RRAYWYJIEOHYET-UHFFFAOYSA-N 0 0 161.160 2.047 10 0 AEAERN CC[C@H](C[NH2+]C1CCCC1)CC(=O)[O-] 129692180 573357267 /nfs/dbraw/zinc/35/72/67/573357267.db2.gz BUKYCKFGESREEN-VIFPVBQESA-N 0 0 199.294 2.020 10 0 AEAERN O[C@@H]1CCCNc2cccc(F)c21 257795661 573357407 /nfs/dbraw/zinc/35/74/07/573357407.db2.gz CZUXJOPMRMRDGI-SECBINFHSA-N 0 0 181.210 2.065 10 0 AEAERN C[C@H]1CCc2c(coc2C=O)C1 107120333 573357418 /nfs/dbraw/zinc/35/74/18/573357418.db2.gz CTWAXXRPULQJBJ-ZETCQYMHSA-N 0 0 164.204 2.217 10 0 AEAERN CC(C)(O)[C@H]1COc2cccc(F)c21 258010107 573357430 /nfs/dbraw/zinc/35/74/30/573357430.db2.gz IYQYMBMZLRNUMF-ZETCQYMHSA-N 0 0 196.221 2.073 10 0 AEAERN CC/C=C\C(=O)N(C(C)C)C1CC1 308363829 573357511 /nfs/dbraw/zinc/35/75/11/573357511.db2.gz NDECBZKZHMJGBG-WAYWQWQTSA-N 0 0 181.279 2.352 10 0 AEAERN CC1=C([C@@H](C)CO)CCC1 238369121 573357546 /nfs/dbraw/zinc/35/75/46/573357546.db2.gz KKGLVHJSFRRDST-QMMMGPOBSA-N 0 0 140.226 2.115 10 0 AEAERN Cc1[nH]sc2cccc(=O)c1-2 107120550 573357559 /nfs/dbraw/zinc/35/75/59/573357559.db2.gz RBISVDQURAKWJJ-UHFFFAOYSA-N 0 0 165.217 2.310 10 0 AEAERN CCCC(=O)c1ccc(C(=O)OC)o1 132842534 573357573 /nfs/dbraw/zinc/35/75/73/573357573.db2.gz MBSBMCGGRZHTAF-UHFFFAOYSA-N 0 0 196.202 2.049 10 0 AEAERN C/C=C\CC(=O)C(C)C 78130251 573357635 /nfs/dbraw/zinc/35/76/35/573357635.db2.gz VTYMHBXUWFKHTN-PLNGDYQASA-N 0 0 126.199 2.178 10 0 AEAERN CC(=O)c1cc(-c2ccc(C)o2)n[nH]1 259425952 573357665 /nfs/dbraw/zinc/35/76/65/573357665.db2.gz YUGSNTWHPJSRJH-UHFFFAOYSA-N 0 0 190.202 2.181 10 0 AEAERN OCc1coc([C@H]2CCCCS2)n1 258299746 573357716 /nfs/dbraw/zinc/35/77/16/573357716.db2.gz ZPTFCEBDNMJLBH-MRVPVSSYSA-N 0 0 199.275 2.125 10 0 AEAERN COc1cc(C)c(F)nc1C(F)F 238368742 573357722 /nfs/dbraw/zinc/35/77/22/573357722.db2.gz MXQXDTGELQCONV-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN COc1ccc(F)c(C(C)(C)CO)c1 258010578 573357749 /nfs/dbraw/zinc/35/77/49/573357749.db2.gz CUPGAIWGPQPQRD-UHFFFAOYSA-N 0 0 198.237 2.104 10 0 AEAERN CC(=O)NCc1ccccc1C(C)C 74599380 573357764 /nfs/dbraw/zinc/35/77/64/573357764.db2.gz JVYXCGLYCCNPOF-UHFFFAOYSA-N 0 0 191.274 2.446 10 0 AEAERN CN1Cc2ccc(Cl)cc2N1 258010013 573357813 /nfs/dbraw/zinc/35/78/13/573357813.db2.gz MXQMNTTVGKZBLA-UHFFFAOYSA-N 0 0 168.627 2.112 10 0 AEAERN OCCc1cnc(C2CCCCC2)o1 258299808 573357817 /nfs/dbraw/zinc/35/78/17/573357817.db2.gz ZQRJDZBDWHKQOM-UHFFFAOYSA-N 0 0 195.262 2.257 10 0 AEAERN COc1ccc2c(n1)CCC2(C)C 238369155 573357826 /nfs/dbraw/zinc/35/78/26/573357826.db2.gz NVCLEJAHDWKSTD-UHFFFAOYSA-N 0 0 177.247 2.314 10 0 AEAERN Cc1ccc(O)c(-c2c[nH]cn2)c1 117619791 573357832 /nfs/dbraw/zinc/35/78/32/573357832.db2.gz QCQWMLZTPVTBGR-UHFFFAOYSA-N 0 0 174.203 2.091 10 0 AEAERN CCCC[C@H](O)[C@H](OC)C(C)C 132968268 573357857 /nfs/dbraw/zinc/35/78/57/573357857.db2.gz WJIOGDVFRRQWEX-VHSXEESVSA-N 0 0 174.284 2.209 10 0 AEAERN CC1(C)CCC(=O)[C@@H]2[C@@H](O)CCC[C@@H]21 224899629 573357858 /nfs/dbraw/zinc/35/78/58/573357858.db2.gz KOCUNHGFTXEEAW-QXEWZRGKSA-N 0 0 196.290 2.153 10 0 AEAERN CC[C@@H](C[C@H](C)CC)NOC 132970752 573357867 /nfs/dbraw/zinc/35/78/67/573357867.db2.gz XIDJRTJLDFKCHC-BDAKNGLRSA-N 0 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DDDJEEPUNCAMJW-UHFFFAOYSA-N 0 0 169.249 2.154 10 0 AEAERN CC(=O)c1c[nH]c2ccc(O)cc12 258293613 573361741 /nfs/dbraw/zinc/36/17/41/573361741.db2.gz URKIJMGLTSWXMI-UHFFFAOYSA-N 0 0 175.187 2.076 10 0 AEAERN CC(C)Cc1sncc1C=O 107122284 573361764 /nfs/dbraw/zinc/36/17/64/573361764.db2.gz LPNZECZAVKYUDC-UHFFFAOYSA-N 0 0 169.249 2.154 10 0 AEAERN Cc1cncc(-c2cnc(N)c(C)c2)c1 129746481 573361803 /nfs/dbraw/zinc/36/18/03/573361803.db2.gz BWJCSRIOLBRIEW-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CCc1ccc(C=O)c(Cl)n1 107122455 573361901 /nfs/dbraw/zinc/36/19/01/573361901.db2.gz ZQICEUHYIRKZLG-UHFFFAOYSA-N 0 0 169.611 2.110 10 0 AEAERN Nc1cnsc1C1CCCC1 107121711 573361975 /nfs/dbraw/zinc/36/19/75/573361975.db2.gz OZKSNRSNGSJALH-UHFFFAOYSA-N 0 0 168.265 2.383 10 0 AEAERN Cc1nc(C2CC2)c(C=O)s1 107121361 573361996 /nfs/dbraw/zinc/36/19/96/573361996.db2.gz YPQGIFNMUYEROK-UHFFFAOYSA-N 0 0 167.233 2.141 10 0 AEAERN Cc1ccc(-c2ncc([C@@H](C)O)o2)o1 258299822 573361998 /nfs/dbraw/zinc/36/19/98/573361998.db2.gz ZQXPAYGEBLAVCQ-SSDOTTSWSA-N 0 0 193.202 2.296 10 0 AEAERN C[C@@H](O)c1coc([C@@H]2CCCS2)n1 258299775 573362003 /nfs/dbraw/zinc/36/20/03/573362003.db2.gz ZQARWGFMQPXXFD-SVRRBLITSA-N 0 0 199.275 2.296 10 0 AEAERN COc1c(C)cc(NC=O)c(C)c1C 238361575 573362008 /nfs/dbraw/zinc/36/20/08/573362008.db2.gz XPABEHJBFANKKT-UHFFFAOYSA-N 0 0 193.246 2.189 10 0 AEAERN COc1c(C)cc(F)nc1C(F)F 238361146 573362055 /nfs/dbraw/zinc/36/20/55/573362055.db2.gz WRMSFNBOQXFMAM-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN C=Cc1nc(CCCC)no1 86314214 573362067 /nfs/dbraw/zinc/36/20/67/573362067.db2.gz VIEYQVPACXIQOJ-UHFFFAOYSA-N 0 0 152.197 2.055 10 0 AEAERN CCC(=O)c1cnn(CCCCF)c1 308562373 573362075 /nfs/dbraw/zinc/36/20/75/573362075.db2.gz YFMBCAMVTFDBLM-UHFFFAOYSA-N 0 0 198.241 2.226 10 0 AEAERN CCON[C@@H](CC)c1ccco1 133040474 573362113 /nfs/dbraw/zinc/36/21/13/573362113.db2.gz RTHANBMRGQXEJT-QMMMGPOBSA-N 0 0 169.224 2.272 10 0 AEAERN CC(C)/C=C\[C@@H]1OC(=O)N[C@@H]1C(C)C 308369639 573362156 /nfs/dbraw/zinc/36/21/56/573362156.db2.gz PKNATWDGFOVGDF-NRAIBSHISA-N 0 0 197.278 2.332 10 0 AEAERN COCC1(C[C@@H]2CCC[C@@H]2O)CCC1 308563221 573362161 /nfs/dbraw/zinc/36/21/61/573362161.db2.gz GLGMCKRSNBKUEF-QWRGUYRKSA-N 0 0 198.306 2.354 10 0 AEAERN N[C@@H]1c2ccccc2[C@@H](F)C1(F)F 117746980 573362184 /nfs/dbraw/zinc/36/21/84/573362184.db2.gz YICKLGWICBKRKL-HTQZYQBOSA-N 0 0 187.164 2.346 10 0 AEAERN COc1cccc2c1C(C)(C)C(=O)C2 238361684 573362237 /nfs/dbraw/zinc/36/22/37/573362237.db2.gz RLXJTXQFJSEMSZ-UHFFFAOYSA-N 0 0 190.242 2.098 10 0 AEAERN COc1nc(C(F)F)c(O)cc1C 238362143 573362251 /nfs/dbraw/zinc/36/22/51/573362251.db2.gz QNJXENBWGBBLFD-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN CCCOc1cccc(NCC)c1N 129773940 573366016 /nfs/dbraw/zinc/36/60/16/573366016.db2.gz HELPHFVYNNBVSK-UHFFFAOYSA-N 0 0 194.278 2.489 10 0 AEAERN CCC[C@@H](C)OC(=O)[C@@H](C)COC 308367679 573366037 /nfs/dbraw/zinc/36/60/37/573366037.db2.gz OTSRFYVWVCFUMW-DTWKUNHWSA-N 0 0 188.267 2.001 10 0 AEAERN c1nscc1O[C@H]1CCCS1 258318112 573366146 /nfs/dbraw/zinc/36/61/46/573366146.db2.gz DDHMIIWOMFBOJS-SSDOTTSWSA-N 0 0 187.289 2.375 10 0 AEAERN CC(C)C[C@]1(O)CCS[C@@H]1C 107125001 573366233 /nfs/dbraw/zinc/36/62/33/573366233.db2.gz MUHQCNUKIMSMKQ-RKDXNWHRSA-N 0 0 174.309 2.289 10 0 AEAERN O=Cc1ccc([C@H](O)C2CCC2)cc1 259609563 573366240 /nfs/dbraw/zinc/36/62/40/573366240.db2.gz DOWNNKBSRKGENU-GFCCVEGCSA-N 0 0 190.242 2.333 10 0 AEAERN OC/C=C\CC1CCSCC1 258316267 573366259 /nfs/dbraw/zinc/36/62/59/573366259.db2.gz VSSPXDOEUQJAQU-UPHRSURJSA-N 0 0 172.293 2.068 10 0 AEAERN CC(=O)C[C@H]1CCCCCC1=O 117689327 573366358 /nfs/dbraw/zinc/36/63/58/573366358.db2.gz UJSZNPKZSFYPBL-SECBINFHSA-N 0 0 168.236 2.115 10 0 AEAERN CC(C)CON[C@H]1CCC[C@H]1C 133116411 573366404 /nfs/dbraw/zinc/36/64/04/573366404.db2.gz MAQMDFHLIDVSOW-ZJUUUORDSA-N 0 0 171.284 2.352 10 0 AEAERN c1nocc1OC[C@@H]1CCCCS1 258318481 573366502 /nfs/dbraw/zinc/36/65/02/573366502.db2.gz DEJYLSPCMRMYPO-VIFPVBQESA-N 0 0 199.275 2.339 10 0 AEAERN CC(C)[C@@H](CO)C(C)(C)C 117695468 573366527 /nfs/dbraw/zinc/36/65/27/573366527.db2.gz FYAGOCUTJYFMTP-MRVPVSSYSA-N 0 0 144.258 2.297 10 0 AEAERN COc1c(F)cc(C)cc1[C@H](C)CO 258008208 573366580 /nfs/dbraw/zinc/36/65/80/573366580.db2.gz CPNUDPNJRYEGDC-MRVPVSSYSA-N 0 0 198.237 2.239 10 0 AEAERN CCCc1c(N)noc1C(F)(F)F 86326255 573366584 /nfs/dbraw/zinc/36/65/84/573366584.db2.gz OBAONBAIDAREHO-UHFFFAOYSA-N 0 0 194.156 2.228 10 0 AEAERN CNc1cccc2c1C(=O)CCC2 107125185 573366620 /nfs/dbraw/zinc/36/66/20/573366620.db2.gz OBJAYEMKYGDGMN-UHFFFAOYSA-N 0 0 175.231 2.247 10 0 AEAERN C/C=C\[C@@H]1NC(=O)O[C@H](C)[C@@H]1C(C)C 308368614 573366622 /nfs/dbraw/zinc/36/66/22/573366622.db2.gz NSHKNTMAZVDUEQ-XWISAGFESA-N 0 0 197.278 2.332 10 0 AEAERN CCON[C@@H](C)CCC(C)C 133047370 573366630 /nfs/dbraw/zinc/36/66/30/573366630.db2.gz BVWJJZLRGSOQJW-VIFPVBQESA-N 0 0 159.273 2.352 10 0 AEAERN CCCCc1nc(C)c(F)c(NC)n1 86323645 573366685 /nfs/dbraw/zinc/36/66/85/573366685.db2.gz OOEDWRNISNJAKV-UHFFFAOYSA-N 0 0 197.257 2.308 10 0 AEAERN CC(C)Oc1ccc2c(c1)CC[C@@H]2O 107135720 573369961 /nfs/dbraw/zinc/36/99/61/573369961.db2.gz IWBKNLTWEJLLNX-LBPRGKRZSA-N 0 0 192.258 2.453 10 0 AEAERN CC1(c2cnc(N)s2)CCC1 259610183 573369970 /nfs/dbraw/zinc/36/99/70/573369970.db2.gz DQWXEGHGWDZMNX-UHFFFAOYSA-N 0 0 168.265 2.167 10 0 AEAERN CCSCCCC(=O)C1CC1 129617106 573369977 /nfs/dbraw/zinc/36/99/77/573369977.db2.gz GXMXEHXKBJBBIW-UHFFFAOYSA-N 0 0 172.293 2.499 10 0 AEAERN CC(C)(O)c1cc2cccc(O)c2[nH]1 258324847 573369986 /nfs/dbraw/zinc/36/99/86/573369986.db2.gz WRRDTWSRKJGXKY-UHFFFAOYSA-N 0 0 191.230 2.101 10 0 AEAERN CCC(C)(C)[C@@H](NN)c1ccco1 133095591 573370137 /nfs/dbraw/zinc/37/01/37/573370137.db2.gz GILRQKMHJXRNMH-VIFPVBQESA-N 0 0 182.267 2.220 10 0 AEAERN Cc1cccc2c1C[C@@H](C[C@@H](C)O)N2 258320315 573370165 /nfs/dbraw/zinc/37/01/65/573370165.db2.gz WJMCREDWJLPNEJ-NXEZZACHSA-N 0 0 191.274 2.103 10 0 AEAERN C[C@@H](O)Cc1cccc2c1NC[C@@H]2C 258008030 573370166 /nfs/dbraw/zinc/37/01/66/573370166.db2.gz 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SOGVBWSMZCIIAJ-KGFZYKRKSA-N 0 0 191.205 2.055 10 0 AEAERN CC(C)NC(=O)N[C@H](C)c1ccco1 74904416 573413104 /nfs/dbraw/zinc/41/31/04/573413104.db2.gz FVXJXGNPLBVNCO-MRVPVSSYSA-N 0 0 196.250 2.048 10 0 AEAERN CCOC(=O)C1(c2ccc(C)o2)CC1 257811241 573417047 /nfs/dbraw/zinc/41/70/47/573417047.db2.gz BAISMRSBYMWGCM-UHFFFAOYSA-N 0 0 194.230 2.183 10 0 AEAERN COCc1ccc(C(=O)C2(C)CC2)o1 308580067 573417051 /nfs/dbraw/zinc/41/70/51/573417051.db2.gz GFCATJPGYULGRK-UHFFFAOYSA-N 0 0 194.230 2.409 10 0 AEAERN Cc1cccc2c1C[C@H](C(C)(C)O)N2 258337270 573417078 /nfs/dbraw/zinc/41/70/78/573417078.db2.gz XPJBRAFESZYFKO-LLVKDONJSA-N 0 0 191.274 2.103 10 0 AEAERN CCOc1ccc2c(CO)coc2c1 118622318 573417107 /nfs/dbraw/zinc/41/71/07/573417107.db2.gz PERINALYHLZBOM-UHFFFAOYSA-N 0 0 192.214 2.324 10 0 AEAERN OCC/C=C\C[C@H]1CCCSC1 258338729 573417122 /nfs/dbraw/zinc/41/71/22/573417122.db2.gz XPHOYXBDQYFQKT-SYBPUXJVSA-N 0 0 186.320 2.458 10 0 AEAERN CC(C)C[C@@H](O)c1ccc(O)cc1N 257811236 573417159 /nfs/dbraw/zinc/41/71/59/573417159.db2.gz BAEPETGCYKOJIH-LLVKDONJSA-N 0 0 195.262 2.054 10 0 AEAERN COC(C)(C)C[C@](C)(CO)C1CC1 393632114 573416458 /nfs/dbraw/zinc/41/64/58/573416458.db2.gz KAFCPJXFATXJSI-LLVKDONJSA-N 0 0 186.295 2.210 10 0 AEAERN CCOC(=N)[C@H]1Cc2ccccc21 83123353 573417171 /nfs/dbraw/zinc/41/71/71/573417171.db2.gz HGFHASBVIGCABO-JTQLQIEISA-N 0 0 175.231 2.340 10 0 AEAERN COc1cc(C)nc(F)c1C(F)F 238384261 573416497 /nfs/dbraw/zinc/41/64/97/573416497.db2.gz SUTAKWVCIHYBES-UHFFFAOYSA-N 0 0 191.152 2.475 10 0 AEAERN Nc1ccc(F)cc1C(F)F 118623093 573416575 /nfs/dbraw/zinc/41/65/75/573416575.db2.gz GMOKYLWICVYFLS-UHFFFAOYSA-N 0 0 161.126 2.346 10 0 AEAERN OCc1ncsc1-c1ccccc1 118589877 573416597 /nfs/dbraw/zinc/41/65/97/573416597.db2.gz NBXAYGSULDTMSS-UHFFFAOYSA-N 0 0 191.255 2.302 10 0 AEAERN CC1(C[C@@H](O)COC2CCC2)CCC1 714933997 573416611 /nfs/dbraw/zinc/41/66/11/573416611.db2.gz SYINIPLHECTWJZ-SNVBAGLBSA-N 0 0 198.306 2.497 10 0 AEAERN COC1(OC)C[C@@H](C)Cc2cc[nH]c21 238384779 573416627 /nfs/dbraw/zinc/41/66/27/573416627.db2.gz QKVZPKMSUGYOFF-QMMMGPOBSA-N 0 0 195.262 2.043 10 0 AEAERN CC[C@@H](CO)c1ccc2c(c1)CCO2 259442077 573416711 /nfs/dbraw/zinc/41/67/11/573416711.db2.gz ZYTHNHJHGDBRDU-VIFPVBQESA-N 0 0 192.258 2.107 10 0 AEAERN CCOC(=N)[C@@H]1Cc2ccccc21 83123351 573416726 /nfs/dbraw/zinc/41/67/26/573416726.db2.gz HGFHASBVIGCABO-SNVBAGLBSA-N 0 0 175.231 2.340 10 0 AEAERN COC(=O)c1cc(F)c2ccoc2c1 238383922 573416801 /nfs/dbraw/zinc/41/68/01/573416801.db2.gz WTJXGRBXYWCJIJ-UHFFFAOYSA-N 0 0 194.161 2.359 10 0 AEAERN CC[C@@H]1CCC[C@H](C)[C@@H]1O 118612173 573416844 /nfs/dbraw/zinc/41/68/44/573416844.db2.gz CDWPWTLJKFGJLO-YIZRAAEISA-N 0 0 142.242 2.194 10 0 AEAERN COc1cc(C)ncc1C(F)F 238384948 573416851 /nfs/dbraw/zinc/41/68/51/573416851.db2.gz ORAWFHNZZUHVPA-UHFFFAOYSA-N 0 0 173.162 2.336 10 0 AEAERN Cc1nc(C2CCC2)ncc1[C@H](C)[NH3+] 83136516 573416857 /nfs/dbraw/zinc/41/68/57/573416857.db2.gz QOPXKFRLWLLUMI-ZETCQYMHSA-N 0 0 191.278 2.072 10 0 AEAERN CCC(=O)N(C)c1nc(C)c(C)s1 74916269 573416863 /nfs/dbraw/zinc/41/68/63/573416863.db2.gz LCWFUGNTDDJXDR-UHFFFAOYSA-N 0 0 198.291 2.133 10 0 AEAERN Nc1cc(O)c2cc(F)ccc2c1 257811212 573417173 /nfs/dbraw/zinc/41/71/73/573417173.db2.gz AZWQYUFVOVVXSZ-UHFFFAOYSA-N 0 0 177.178 2.267 10 0 AEAERN C[NH2+]Cc1sc(C2CCC2)nc1C 83136354 573416997 /nfs/dbraw/zinc/41/69/97/573416997.db2.gz NPTYXBSHUMSIOU-UHFFFAOYSA-N 0 0 196.319 2.438 10 0 AEAERN C[C@@]1(C2CCCCC2)CCNC(=O)N1 257811235 573417030 /nfs/dbraw/zinc/41/70/30/573417030.db2.gz BAEGQJCBUUJQDA-NSHDSACASA-N 0 0 196.294 2.028 10 0 AEAERN Cc1nc(C2CCC2)ncc1[C@H](C)O 83136568 573419210 /nfs/dbraw/zinc/41/92/10/573419210.db2.gz RYJSCUTZLNVGEY-QMMMGPOBSA-N 0 0 192.262 2.106 10 0 AEAERN CC[C@H](C)Cn1nc(C)c(CO)c1C 50427191 573419233 /nfs/dbraw/zinc/41/92/33/573419233.db2.gz XHAWUJYMIAVZBY-QMMMGPOBSA-N 0 0 196.294 2.038 10 0 AEAERN Cc1cc(Cl)cc([C@@H](C)O)c1O 238384403 573419240 /nfs/dbraw/zinc/41/92/40/573419240.db2.gz LXKZVPQZTJWPFJ-ZCFIWIBFSA-N 0 0 186.638 2.407 10 0 AEAERN C[C@@H](O)c1cc(Cl)cnc1Cl 238384735 573419246 /nfs/dbraw/zinc/41/92/46/573419246.db2.gz JSDZPXXWWYJMIA-SCSAIBSYSA-N 0 0 192.045 2.442 10 0 AEAERN CCc1c(C)nc(C2CCC2)nc1N 83123642 573419281 /nfs/dbraw/zinc/41/92/81/573419281.db2.gz JETHYCQHNKFVIA-UHFFFAOYSA-N 0 0 191.278 2.197 10 0 AEAERN CC(=O)C[C@@H]1Cc2c(C)cccc2N1 258337321 573419294 /nfs/dbraw/zinc/41/92/94/573419294.db2.gz XPVZPJXYDCPLHO-SNVBAGLBSA-N 0 0 189.258 2.311 10 0 AEAERN C/C=C\C(=O)N1C[C@H](C)C[C@H](C)[C@H]1C 308381410 573419298 /nfs/dbraw/zinc/41/92/98/573419298.db2.gz NRIHVZCLDJBYAC-FECYFJFNSA-N 0 0 195.306 2.456 10 0 AEAERN CCCC1(C(=O)c2cnn(C)c2)CC1 308580627 573419392 /nfs/dbraw/zinc/41/93/92/573419392.db2.gz GIEYMVFTJWGQTA-UHFFFAOYSA-N 0 0 192.262 2.183 10 0 AEAERN COC(=O)Nc1c(F)cccc1F 74932660 573419403 /nfs/dbraw/zinc/41/94/03/573419403.db2.gz MEHDKERLIBPFDL-UHFFFAOYSA-N 0 0 187.145 2.143 10 0 AEAERN Cc1cccc(C/C=C\CCO)c1 258338714 573419479 /nfs/dbraw/zinc/41/94/79/573419479.db2.gz XOVNOTCCXCGEKM-IHWYPQMZSA-N 0 0 176.259 2.476 10 0 AEAERN COc1ccnc(C(F)F)c1F 238383024 573419515 /nfs/dbraw/zinc/41/95/15/573419515.db2.gz WVTHESJENVBXKB-UHFFFAOYSA-N 0 0 177.125 2.167 10 0 AEAERN COc1ncc(OC2CCC2)cc1F 238384361 573419569 /nfs/dbraw/zinc/41/95/69/573419569.db2.gz MDVUGWOGTMZAAY-UHFFFAOYSA-N 0 0 197.209 2.161 10 0 AEAERN C[C@@H](CO)n1ccc2ccccc21 238383164 573419611 /nfs/dbraw/zinc/41/96/11/573419611.db2.gz SLHOMFAOUBLZRN-VIFPVBQESA-N 0 0 175.231 2.195 10 0 AEAERN CCCCC[C@H](NN)c1cncs1 129912614 573419638 /nfs/dbraw/zinc/41/96/38/573419638.db2.gz WUNYBBBYHZYBJR-QMMMGPOBSA-N 0 0 199.323 2.228 10 0 AEAERN CC[C@@H](C)Cn1nc(C)c(CO)c1C 50427190 573419642 /nfs/dbraw/zinc/41/96/42/573419642.db2.gz XHAWUJYMIAVZBY-MRVPVSSYSA-N 0 0 196.294 2.038 10 0 AEAERN COc1ccc2nsc(C=O)c2c1 238384619 573419651 /nfs/dbraw/zinc/41/96/51/573419651.db2.gz FYEQFJGFXZFYEP-UHFFFAOYSA-N 0 0 193.227 2.117 10 0 AEAERN COc1cc(F)cc(/C=C\[C@H](C)O)c1 308382021 573419662 /nfs/dbraw/zinc/41/96/62/573419662.db2.gz VQUZNOXPRDZXIB-VEMNSZJBSA-N 0 0 196.221 2.228 10 0 AEAERN COc1ccnc(C(F)F)c1OC 238383156 573419711 /nfs/dbraw/zinc/41/97/11/573419711.db2.gz IQGXNYDQADTSFM-UHFFFAOYSA-N 0 0 189.161 2.036 10 0 AEAERN CCCNc1nc(C2CCC2)no1 83136398 573419748 /nfs/dbraw/zinc/41/97/48/573419748.db2.gz UDTITXDLVNKJPA-UHFFFAOYSA-N 0 0 181.239 2.159 10 0 AEAERN Cn1ncc2c(Cl)ccc(C=O)c21 259444279 573419891 /nfs/dbraw/zinc/41/98/91/573419891.db2.gz PFLSLVPRLPQMKQ-UHFFFAOYSA-N 0 0 194.621 2.039 10 0 AEAERN COc1cccc([C@@H](O)C2=C(C)C2)c1 118703311 573419968 /nfs/dbraw/zinc/41/99/68/573419968.db2.gz AQHWGOBINITGOU-GFCCVEGCSA-N 0 0 190.242 2.449 10 0 AEAERN Clc1ccc(Oc2cn[nH]c2)o1 258335932 573420005 /nfs/dbraw/zinc/42/00/05/573420005.db2.gz DWEVONHQCIPSTP-UHFFFAOYSA-N 0 0 184.582 2.448 10 0 AEAERN Cc1[nH]nc2c(Cl)ccc(N)c12 259444306 573420008 /nfs/dbraw/zinc/42/00/08/573420008.db2.gz PGWYTMKGROFDNN-UHFFFAOYSA-N 0 0 181.626 2.107 10 0 AEAERN Nc1cnnc([C@H]2CCCCS2)c1 259443776 573421107 /nfs/dbraw/zinc/42/11/07/573421107.db2.gz LXOHNNYAFYMADU-SECBINFHSA-N 0 0 195.291 2.017 10 0 AEAERN CC(C)NC(=O)N1[C@H](C)CCC[C@H]1C 74921443 573421121 /nfs/dbraw/zinc/42/11/21/573421121.db2.gz DBSUOKLHPYRUPZ-NXEZZACHSA-N 0 0 198.310 2.367 10 0 AEAERN Cc1ccc([C@H](O)C(F)F)cc1 83138093 573423676 /nfs/dbraw/zinc/42/36/76/573423676.db2.gz KEKIMCOMSDDTEQ-QMMMGPOBSA-N 0 0 172.174 2.294 10 0 AEAERN Clc1cnc([C@H]2CCOC2)s1 258647941 573423681 /nfs/dbraw/zinc/42/36/81/573423681.db2.gz WNCDCOSVABKAJI-YFKPBYRVSA-N 0 0 189.667 2.300 10 0 AEAERN COc1cc(CC(C)=O)cc(C)c1C 258024681 573423696 /nfs/dbraw/zinc/42/36/96/573423696.db2.gz IMOMITLEKASTTK-UHFFFAOYSA-N 0 0 192.258 2.444 10 0 AEAERN OC1(c2ccc[nH]2)Cc2ccccc2C1 308890528 573420332 /nfs/dbraw/zinc/42/03/32/573420332.db2.gz QYDVPRJFYYYOFC-UHFFFAOYSA-N 0 0 199.253 2.001 10 0 AEAERN CCOc1ccc(C)cc1C[C@H](C)O 258024691 573420335 /nfs/dbraw/zinc/42/03/35/573420335.db2.gz IMQREAXEEYPHDQ-JTQLQIEISA-N 0 0 194.274 2.317 10 0 AEAERN COc1c(N)ccc2c1CCCC2 258026529 573420424 /nfs/dbraw/zinc/42/04/24/573420424.db2.gz OOHKUWCQNHFNIS-UHFFFAOYSA-N 0 0 177.247 2.156 10 0 AEAERN Cc1ccc(OCCC(C)C)c(N)n1 50440842 573420530 /nfs/dbraw/zinc/42/05/30/573420530.db2.gz FXSMMMAQKPUENO-UHFFFAOYSA-N 0 0 194.278 2.397 10 0 AEAERN CC[C@@H](F)CN(C)Cc1ccco1 308381842 573420550 /nfs/dbraw/zinc/42/05/50/573420550.db2.gz UWZGSCWLIONQGL-SECBINFHSA-N 0 0 185.242 2.460 10 0 AEAERN CC(C)Nc1nc(C2CCC2)no1 83136400 573420555 /nfs/dbraw/zinc/42/05/55/573420555.db2.gz JXYIZWMSAYERGQ-UHFFFAOYSA-N 0 0 181.239 2.157 10 0 AEAERN CC(=O)C[C@H]1Cc2c(C)cccc2N1 258337317 573420560 /nfs/dbraw/zinc/42/05/60/573420560.db2.gz XPVZPJXYDCPLHO-JTQLQIEISA-N 0 0 189.258 2.311 10 0 AEAERN COc1cc(=O)[nH]c(C)c1C(F)F 238399483 573420567 /nfs/dbraw/zinc/42/05/67/573420567.db2.gz TVDKXQKDLGYHBB-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN C1CC(c2nc3c(s2)C[NH2+]CC3)C1 83136384 573420588 /nfs/dbraw/zinc/42/05/88/573420588.db2.gz GSGQSUCAHAKQNR-UHFFFAOYSA-N 0 0 194.303 2.056 10 0 AEAERN CC/C=C/CC1=CCC[C@@H]1O 118712554 573420597 /nfs/dbraw/zinc/42/05/97/573420597.db2.gz FHBBWRVPXQCHKN-FSIBCCDJSA-N 0 0 152.237 2.424 10 0 AEAERN CC(C)(C)CNC(=O)N1CCCCC1 74921335 573420612 /nfs/dbraw/zinc/42/06/12/573420612.db2.gz JAKSYLTWHPWXKM-UHFFFAOYSA-N 0 0 198.310 2.228 10 0 AEAERN Nc1cnnc([C@@H]2CCCCS2)c1 259443780 573420663 /nfs/dbraw/zinc/42/06/63/573420663.db2.gz LXOHNNYAFYMADU-VIFPVBQESA-N 0 0 195.291 2.017 10 0 AEAERN Cc1cccc2nnc(-c3ccco3)n12 258025636 573420687 /nfs/dbraw/zinc/42/06/87/573420687.db2.gz RFTKWNCFCHKKEI-UHFFFAOYSA-N 0 0 199.213 2.298 10 0 AEAERN C[C@@H]1CNc2c[nH+]c3ccccc3c2N1 162165234 573420727 /nfs/dbraw/zinc/42/07/27/573420727.db2.gz VZXCTTYIXOTPOF-MRVPVSSYSA-N 0 0 199.257 2.461 10 0 AEAERN O[C@H](c1cc(F)ccc1F)C(F)F 83141728 573423712 /nfs/dbraw/zinc/42/37/12/573423712.db2.gz NPHXSSRICKLZKJ-SSDOTTSWSA-N 0 0 194.127 2.263 10 0 AEAERN Cc1noc2ccc([C@@H](C)O)cc12 258026652 573420768 /nfs/dbraw/zinc/42/07/68/573420768.db2.gz OPCRTYJQNKAGEX-SSDOTTSWSA-N 0 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AKDGKFAMLZJTDR-UHFFFAOYSA-N 0 0 167.208 2.346 10 0 AEAERN C[C@@H](O)c1ccc([C@@H]2CCOC2)cc1 258024710 573420971 /nfs/dbraw/zinc/42/09/71/573420971.db2.gz INOGSULMZOTAGB-BXKDBHETSA-N 0 0 192.258 2.244 10 0 AEAERN CO[C@]12C=C[C@]1(CC=O)CCC2 238385212 573421054 /nfs/dbraw/zinc/42/10/54/573421054.db2.gz VSAHMBBRKZUDPZ-ACMYFRETSA-N 0 0 166.220 2.183 10 0 AEAERN COC(=O)/C(C)=C\c1cccc(F)c1 78074002 573421059 /nfs/dbraw/zinc/42/10/59/573421059.db2.gz MSTZLBVDNWAGEI-VURMDHGXSA-N 0 0 194.205 2.402 10 0 AEAERN Cc1ccccc1[C@@H](N)C(F)F 83137768 573424575 /nfs/dbraw/zinc/42/45/75/573424575.db2.gz XCKSMICXPVPDTI-MRVPVSSYSA-N 0 0 171.190 2.260 10 0 AEAERN CCCc1nnc2cc(Cl)ccn12 258026358 573423878 /nfs/dbraw/zinc/42/38/78/573423878.db2.gz CAIWZMFQXWRLMM-UHFFFAOYSA-N 0 0 195.653 2.335 10 0 AEAERN COC(=O)[C@@H](CSC)C(C)(C)C 258024214 573423902 /nfs/dbraw/zinc/42/39/02/573423902.db2.gz GBXLXCBJXPRHOY-SSDOTTSWSA-N 0 0 190.308 2.185 10 0 AEAERN Cc1cncc2cc(CO)ccc12 258024438 573423941 /nfs/dbraw/zinc/42/39/41/573423941.db2.gz OJPWIIMXTLYRSK-UHFFFAOYSA-N 0 0 173.215 2.036 10 0 AEAERN COc1cc2c(cc1O)C=CCC2 238390366 573423943 /nfs/dbraw/zinc/42/39/43/573423943.db2.gz ANMNJVFKBRHHBV-UHFFFAOYSA-N 0 0 176.215 2.360 10 0 AEAERN Cc1oc2c(CON)cccc2c1C 258024683 573423945 /nfs/dbraw/zinc/42/39/45/573423945.db2.gz IMPGWFAMFRVDGB-UHFFFAOYSA-N 0 0 191.230 2.440 10 0 AEAERN CCC(=O)N(CC)c1ccccc1N 50453377 573423977 /nfs/dbraw/zinc/42/39/77/573423977.db2.gz ZQBRMIGHZJARBA-UHFFFAOYSA-N 0 0 192.262 2.032 10 0 AEAERN COc1cc(C)ccc1CC1(O)CC1 258024638 573424064 /nfs/dbraw/zinc/42/40/64/573424064.db2.gz ILEIGPFXAKQTHW-UHFFFAOYSA-N 0 0 192.258 2.071 10 0 AEAERN COC(=O)c1ccc(F)c2occc12 238390813 573424078 /nfs/dbraw/zinc/42/40/78/573424078.db2.gz FPWOYLKQKIGDPQ-UHFFFAOYSA-N 0 0 194.161 2.359 10 0 AEAERN CCCc1cccc2c1NC(=O)C2 83137602 573424096 /nfs/dbraw/zinc/42/40/96/573424096.db2.gz AGFVNGUZALCCRJ-UHFFFAOYSA-N 0 0 175.231 2.134 10 0 AEAERN COc1cc(C)c(F)c([C@@H](C)CO)c1 258019307 573424115 /nfs/dbraw/zinc/42/41/15/573424115.db2.gz DHSVJLPYFKBLLM-QMMMGPOBSA-N 0 0 198.237 2.239 10 0 AEAERN CS[C@]1(C)C(=O)CC[C@@H]1C 238391238 573424227 /nfs/dbraw/zinc/42/42/27/573424227.db2.gz JKERZQGQDIWLBZ-XPUUQOCRSA-N 0 0 158.266 2.107 10 0 AEAERN Cc1cccc([C@@H](O)C(F)F)c1 83138200 573424235 /nfs/dbraw/zinc/42/42/35/573424235.db2.gz ACRUEHRYBPHGJM-MRVPVSSYSA-N 0 0 172.174 2.294 10 0 AEAERN Cc1ccc([C@H](O)C(C)C)c(N)c1 257811492 573424310 /nfs/dbraw/zinc/42/43/10/573424310.db2.gz BDTBFTAPFIAQAM-LLVKDONJSA-N 0 0 179.263 2.267 10 0 AEAERN C[C@@H]1CCC2(CC2)CC1=O 118761589 573424348 /nfs/dbraw/zinc/42/43/48/573424348.db2.gz OHNCNOUYSZGPIK-SSDOTTSWSA-N 0 0 138.210 2.156 10 0 AEAERN CC(C)OCc1ccc(F)c(N)c1 258025883 573424392 /nfs/dbraw/zinc/42/43/92/573424392.db2.gz CIBJXZBMHPDQDJ-UHFFFAOYSA-N 0 0 183.226 2.333 10 0 AEAERN C/C=C/[C@H](O)c1cccc(OC)c1 238390711 573424394 /nfs/dbraw/zinc/42/43/94/573424394.db2.gz CMVRCPPMNYURKA-TZNOJPMFSA-N 0 0 178.231 2.305 10 0 AEAERN CC(C)(C)Oc1ccc(C=O)cn1 83141879 573424397 /nfs/dbraw/zinc/42/43/97/573424397.db2.gz HTUZMRUNUUQBPY-UHFFFAOYSA-N 0 0 179.219 2.071 10 0 AEAERN OCC/C=C\[C@@H]1CCCCS1 258026294 573424582 /nfs/dbraw/zinc/42/45/82/573424582.db2.gz BTVYJCULZLNHST-AMFUIUNQSA-N 0 0 172.293 2.211 10 0 AEAERN CCCCCCn1cccc(N)c1=O 50445435 573424621 /nfs/dbraw/zinc/42/46/21/573424621.db2.gz UXXAJMDAPXDXHK-UHFFFAOYSA-N 0 0 194.278 2.011 10 0 AEAERN CN(C=O)[C@@H]1CCCc2ccccc21 83144984 573424657 /nfs/dbraw/zinc/42/46/57/573424657.db2.gz LLXOCUMYAMIJJU-GFCCVEGCSA-N 0 0 189.258 2.152 10 0 AEAERN C/C=C/CCNC(=O)/C(C)=C/CC 308389295 573424665 /nfs/dbraw/zinc/42/46/65/573424665.db2.gz YTKBGKDIYQZCRA-ONNLMXTPSA-N 0 0 181.279 2.425 10 0 AEAERN CCOc1cc(-c2ccccc2)[nH]n1 118753871 573424670 /nfs/dbraw/zinc/42/46/70/573424670.db2.gz QNQCXRSVGMJCPN-UHFFFAOYSA-N 0 0 188.230 2.475 10 0 AEAERN C[C@H](c1ccc(Cl)cc1)N(C)C=O 83144992 573424737 /nfs/dbraw/zinc/42/47/37/573424737.db2.gz WJNQSKHZHNTBPW-MRVPVSSYSA-N 0 0 197.665 2.489 10 0 AEAERN C[C@H](O)c1ccc([C@@H]2CCOC2)cc1 258024713 573424839 /nfs/dbraw/zinc/42/48/39/573424839.db2.gz INOGSULMZOTAGB-JOYOIKCWSA-N 0 0 192.258 2.244 10 0 AEAERN O[C@H](c1cccc(F)c1)C(F)F 83137692 573424842 /nfs/dbraw/zinc/42/48/42/573424842.db2.gz JITQZNNRSBAUCR-SSDOTTSWSA-N 0 0 176.137 2.124 10 0 AEAERN Nc1occc1-c1cccc(O)c1 258019190 573424890 /nfs/dbraw/zinc/42/48/90/573424890.db2.gz BSUIYMDNDDELEF-UHFFFAOYSA-N 0 0 175.187 2.234 10 0 AEAERN COC(=O)[C@H](CSC)C(C)(C)C 258024217 573424918 /nfs/dbraw/zinc/42/49/18/573424918.db2.gz GBXLXCBJXPRHOY-ZETCQYMHSA-N 0 0 190.308 2.185 10 0 AEAERN C/C=C\CCNC(=O)/C(C)=C/CC 308389297 573424961 /nfs/dbraw/zinc/42/49/61/573424961.db2.gz YTKBGKDIYQZCRA-YUFRWXHNSA-N 0 0 181.279 2.425 10 0 AEAERN C[C@H]1CCC2(CC2)CC1=O 118761593 573424964 /nfs/dbraw/zinc/42/49/64/573424964.db2.gz OHNCNOUYSZGPIK-ZETCQYMHSA-N 0 0 138.210 2.156 10 0 AEAERN C[C@H](c1cc(F)ccc1F)N(C)C=O 83145018 573424981 /nfs/dbraw/zinc/42/49/81/573424981.db2.gz GYPPJKIONRJTAQ-SSDOTTSWSA-N 0 0 199.200 2.114 10 0 AEAERN O[C@@H](c1cc(F)ccc1F)C(F)F 83141723 573425008 /nfs/dbraw/zinc/42/50/08/573425008.db2.gz NPHXSSRICKLZKJ-ZETCQYMHSA-N 0 0 194.127 2.263 10 0 AEAERN Cc1ccc([C@@H](O)C(F)F)cc1 83138094 573425036 /nfs/dbraw/zinc/42/50/36/573425036.db2.gz KEKIMCOMSDDTEQ-MRVPVSSYSA-N 0 0 172.174 2.294 10 0 AEAERN CO[C@@H]1C(=O)CC(C)(C)C[C@H]1C 238390334 573425157 /nfs/dbraw/zinc/42/51/57/573425157.db2.gz QUKIKPHJUZKATB-APPZFPTMSA-N 0 0 170.252 2.027 10 0 AEAERN Cc1cccc2c1CC(=O)[C@H]2C 238391190 573425167 /nfs/dbraw/zinc/42/51/67/573425167.db2.gz FOPJYNFRHOIRGT-QMMMGPOBSA-N 0 0 160.216 2.224 10 0 AEAERN C[C@H](c1ccc(F)c(F)c1)N(C)C=O 83144959 573425179 /nfs/dbraw/zinc/42/51/79/573425179.db2.gz FSDDOMXTCNXBLB-SSDOTTSWSA-N 0 0 199.200 2.114 10 0 AEAERN CO[C@H]1CNc2ccc(Cl)cc2C1 257811314 573425203 /nfs/dbraw/zinc/42/52/03/573425203.db2.gz BDLCDKLNVHZPNA-SECBINFHSA-N 0 0 197.665 2.323 10 0 AEAERN Cc1ccc(F)c(N)c1[S-] 83141731 573425206 /nfs/dbraw/zinc/42/52/06/573425206.db2.gz SIWVNWTZFZYTHP-UHFFFAOYSA-N 0 0 157.213 2.005 10 0 AEAERN C[C@@H]1C(=O)Cc2c1[nH]c1ccccc21 238391226 573425262 /nfs/dbraw/zinc/42/52/62/573425262.db2.gz CTJBXXGYZVHQRD-SSDOTTSWSA-N 0 0 185.226 2.397 10 0 AEAERN CS[C@@]1(C)CCC[C@H](C)C1=O 238391155 573425288 /nfs/dbraw/zinc/42/52/88/573425288.db2.gz NEAFWGKXOTZULN-CBAPKCEASA-N 0 0 172.293 2.497 10 0 AEAERN OC[C@H]1CC[C@@H]1c1ccc(F)cc1 257811632 573425297 /nfs/dbraw/zinc/42/52/97/573425297.db2.gz BFIGRKCTYLXOMQ-MWLCHTKSSA-N 0 0 180.222 2.312 10 0 AEAERN C[C@H](c1ccccc1Cl)N(C)C=O 83145013 573425311 /nfs/dbraw/zinc/42/53/11/573425311.db2.gz AZDHAATYPONEGA-MRVPVSSYSA-N 0 0 197.665 2.489 10 0 AEAERN CCc1ccc([C@@H](C)NC=O)cc1 83145201 573427802 /nfs/dbraw/zinc/42/78/02/573427802.db2.gz QAHSLKKVONUANS-SECBINFHSA-N 0 0 177.247 2.056 10 0 AEAERN CC[C@H](C)Oc1cccc(NC=O)c1 83145872 573427088 /nfs/dbraw/zinc/42/70/88/573427088.db2.gz WYMYGFCLNLGWFH-VIFPVBQESA-N 0 0 193.246 2.432 10 0 AEAERN Cc1cccc2c1[C@H](C)C(=O)N2 238392750 573427159 /nfs/dbraw/zinc/42/71/59/573427159.db2.gz OLCOQRKXFDWCIY-ZETCQYMHSA-N 0 0 161.204 2.051 10 0 AEAERN CCSCCCSCCCO 129988338 573427185 /nfs/dbraw/zinc/42/71/85/573427185.db2.gz JZFONTGBUDNXRP-UHFFFAOYSA-N 0 0 194.365 2.245 10 0 AEAERN CC(C)Oc1ccc2cc[nH]c2n1 144142195 573427216 /nfs/dbraw/zinc/42/72/16/573427216.db2.gz NRMOJIKAYCAPSJ-UHFFFAOYSA-N 0 0 176.219 2.350 10 0 AEAERN COc1csc(-c2ccccn2)n1 259449022 573427233 /nfs/dbraw/zinc/42/72/33/573427233.db2.gz XNDAVPDREBSDCR-UHFFFAOYSA-N 0 0 192.243 2.214 10 0 AEAERN Cc1ccc([C@@H](O)C(C)C)c(N)c1 257811493 573427268 /nfs/dbraw/zinc/42/72/68/573427268.db2.gz BDTBFTAPFIAQAM-NSHDSACASA-N 0 0 179.263 2.267 10 0 AEAERN COC[C@]1(C)CCC[C@H](C)C1=O 238392363 573427282 /nfs/dbraw/zinc/42/72/82/573427282.db2.gz AXWUWSRBXQQRGA-WPRPVWTQSA-N 0 0 170.252 2.028 10 0 AEAERN COc1cccc([C@H](C)NC=S)c1 238391941 573427359 /nfs/dbraw/zinc/42/73/59/573427359.db2.gz MLEFXSJBOBYGIF-QMMMGPOBSA-N 0 0 195.287 2.303 10 0 AEAERN O=Cc1n[nH]nc1C1CCCCCC1 257811543 573427437 /nfs/dbraw/zinc/42/74/37/573427437.db2.gz BFILFWAVCHCMKC-UHFFFAOYSA-N 0 0 193.250 2.055 10 0 AEAERN CCc1ccc(F)c(CNO)c1F 258027526 573427492 /nfs/dbraw/zinc/42/74/92/573427492.db2.gz IQMSHVYJRRGPCL-UHFFFAOYSA-N 0 0 187.189 2.006 10 0 AEAERN OCCCC[C@@H]1CC12C=CC=C2 238663234 573427509 /nfs/dbraw/zinc/42/75/09/573427509.db2.gz WQKBEGKYNUTUDU-SNVBAGLBSA-N 0 0 164.248 2.281 10 0 AEAERN CC(=O)Cc1coc(C2CCCC2)n1 258029285 573427519 /nfs/dbraw/zinc/42/75/19/573427519.db2.gz JXMJVWWSXVWKNC-UHFFFAOYSA-N 0 0 193.246 2.464 10 0 AEAERN CC(C)(C)[C@@H]1CCCC[C@H]1NC=O 83145118 573427530 /nfs/dbraw/zinc/42/75/30/573427530.db2.gz BSOXTZBXYZWPHC-NXEZZACHSA-N 0 0 183.295 2.337 10 0 AEAERN C[C@@H](NC=O)c1cccc(Cl)c1 83145794 573427561 /nfs/dbraw/zinc/42/75/61/573427561.db2.gz NNWPCGVSEPWOBJ-SSDOTTSWSA-N 0 0 183.638 2.147 10 0 AEAERN CCOc1ccc(Cl)cc1NC=O 83145568 573427586 /nfs/dbraw/zinc/42/75/86/573427586.db2.gz MIWKQMWCARQWLO-UHFFFAOYSA-N 0 0 199.637 2.307 10 0 AEAERN COc1c(Cl)ccc2[nH]cnc12 238392420 573427598 /nfs/dbraw/zinc/42/75/98/573427598.db2.gz BTNULFXCTXNSIU-UHFFFAOYSA-N 0 0 182.610 2.225 10 0 AEAERN Cc1cc(OC(C)C)ccc1NC=O 83145566 573427612 /nfs/dbraw/zinc/42/76/12/573427612.db2.gz QQIUMVRTMKMBOW-UHFFFAOYSA-N 0 0 193.246 2.351 10 0 AEAERN Cc1ccc(C=O)c(C(C)(C)CO)c1 258027748 573427675 /nfs/dbraw/zinc/42/76/75/573427675.db2.gz ITPJILURSLOZCL-UHFFFAOYSA-N 0 0 192.258 2.077 10 0 AEAERN CC(C)COc1ccccc1NC=O 83145565 573427686 /nfs/dbraw/zinc/42/76/86/573427686.db2.gz RHQINUSRTSVHEV-UHFFFAOYSA-N 0 0 193.246 2.290 10 0 AEAERN CC[C@H](NC=O)c1ccc(C)cc1 83145151 573427694 /nfs/dbraw/zinc/42/76/94/573427694.db2.gz LQMVGKDZKLZCJO-NSHDSACASA-N 0 0 177.247 2.192 10 0 AEAERN CCC[C@@H](C)C[C@H]1CCCNC1=O 133771815 573427703 /nfs/dbraw/zinc/42/77/03/573427703.db2.gz CPBHZQLUHAGWHJ-NXEZZACHSA-N 0 0 183.295 2.339 10 0 AEAERN CC(C)CCC[C@H]1CCCNC1=O 133775833 573427727 /nfs/dbraw/zinc/42/77/27/573427727.db2.gz YZJJUDMEJXWYPH-JTQLQIEISA-N 0 0 183.295 2.339 10 0 AEAERN CCc1nc(C2CCC2)nc(N)c1C 83146390 573431439 /nfs/dbraw/zinc/43/14/39/573431439.db2.gz IFHAJCPXWAOZBP-UHFFFAOYSA-N 0 0 191.278 2.197 10 0 AEAERN C[C@@H](CO)[C@H]1CCc2cccc(O)c21 257811844 573430649 /nfs/dbraw/zinc/43/06/49/573430649.db2.gz BKBYLUQCMTZEDI-WCBMZHEXSA-N 0 0 192.258 2.050 10 0 AEAERN C=COCC(C)(C)[C@@H](O)C(C)C 238210006 573430651 /nfs/dbraw/zinc/43/06/51/573430651.db2.gz UFIQYZOATCIZEV-VIFPVBQESA-N 0 0 172.268 2.190 10 0 AEAERN C[C@@H](O)c1conc1-c1ccccc1 238393140 573430703 /nfs/dbraw/zinc/43/07/03/573430703.db2.gz QNDQAUBMYRBTEX-MRVPVSSYSA-N 0 0 189.214 2.395 10 0 AEAERN CCC1CCC(N(C)C=O)CC1 83146013 573430738 /nfs/dbraw/zinc/43/07/38/573430738.db2.gz OTWQGAUNCDSZDB-UHFFFAOYSA-N 0 0 169.268 2.043 10 0 AEAERN CO[C@@H](c1cccc(N)n1)C(C)(C)C 238392543 573430761 /nfs/dbraw/zinc/43/07/61/573430761.db2.gz PGYGTVQDIIIVOS-JTQLQIEISA-N 0 0 194.278 2.397 10 0 AEAERN Cc1cccc([C@H](O)C2CCC2)c1N 257811799 573430953 /nfs/dbraw/zinc/43/09/53/573430953.db2.gz BIOZGJKPEFGAHJ-GFCCVEGCSA-N 0 0 191.274 2.411 10 0 AEAERN 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573532122 /nfs/dbraw/zinc/53/21/22/573532122.db2.gz KIBRRGUAMDNYNQ-UHFFFAOYSA-N 0 0 180.251 2.380 10 0 AEAERN COCc1cc(F)ccc1[C@H](C)CO 258058690 573532131 /nfs/dbraw/zinc/53/21/31/573532131.db2.gz HGKUAARUOWIGLF-MRVPVSSYSA-N 0 0 198.237 2.068 10 0 AEAERN C[C@H]1CCCC[C@@H]1n1cc(CO)cn1 238429266 573532135 /nfs/dbraw/zinc/53/21/35/573532135.db2.gz MXGCCMYGPKXAHQ-ONGXEEELSA-N 0 0 194.278 2.127 10 0 AEAERN CCc1c(C(C)=O)cnn1C(C)(C)C 257828078 573532147 /nfs/dbraw/zinc/53/21/47/573532147.db2.gz IGFUCPIGFQRRCV-UHFFFAOYSA-N 0 0 194.278 2.403 10 0 AEAERN CC[C@H](C)SCC(=N)OC 83499862 573532189 /nfs/dbraw/zinc/53/21/89/573532189.db2.gz KFRFZQNNELZHFE-LURJTMIESA-N 0 0 161.270 2.142 10 0 AEAERN OC1(CC2CCOCC2)CCCC1 83502802 573532201 /nfs/dbraw/zinc/53/22/01/573532201.db2.gz ZWVFYUDOFDVTBM-UHFFFAOYSA-N 0 0 184.279 2.108 10 0 AEAERN NC1=CC=C2C=CC=C3C=CC=C1[C@@H]32 258052476 573532205 /nfs/dbraw/zinc/53/22/05/573532205.db2.gz RQGGZHZCTJBTPU-ZDUSSCGKSA-N 0 0 181.238 2.378 10 0 AEAERN C[C@@H](O)CCC1SCCCS1 238429822 573532239 /nfs/dbraw/zinc/53/22/39/573532239.db2.gz GHVKGLLRKPYQKB-SSDOTTSWSA-N 0 0 192.349 2.344 10 0 AEAERN CC(=O)c1cc(F)cc(C)c1O 107330912 573532342 /nfs/dbraw/zinc/53/23/42/573532342.db2.gz ONJDLHICSQPTHN-UHFFFAOYSA-N 0 0 168.167 2.042 10 0 AEAERN OCC/C=C\Cc1ccccc1F 258051729 573532361 /nfs/dbraw/zinc/53/23/61/573532361.db2.gz DDXOLURKVRSUFS-UPHRSURJSA-N 0 0 180.222 2.307 10 0 AEAERN Cn1ncc(C2CCCCC2)c1C=O 257828337 573532392 /nfs/dbraw/zinc/53/23/92/573532392.db2.gz IHXWXDMSQQIURU-UHFFFAOYSA-N 0 0 192.262 2.280 10 0 AEAERN CC[C@H]1NC(=O)Nc2c(F)cccc21 257828492 573532420 /nfs/dbraw/zinc/53/24/20/573532420.db2.gz IJFLMYBUGMMEPC-MRVPVSSYSA-N 0 0 194.209 2.412 10 0 AEAERN CC[C@]1(COC)Cc2ccccc2N1 258052254 573532474 /nfs/dbraw/zinc/53/24/74/573532474.db2.gz FTNZQIITFMMKRL-GFCCVEGCSA-N 0 0 191.274 2.450 10 0 AEAERN C[C@H](O)CCC1SCCCS1 238429074 573532495 /nfs/dbraw/zinc/53/24/95/573532495.db2.gz GHVKGLLRKPYQKB-ZETCQYMHSA-N 0 0 192.349 2.344 10 0 AEAERN C[C@@H](O)CCC1=C[C@](C)(O)CCC1 238429773 573532553 /nfs/dbraw/zinc/53/25/53/573532553.db2.gz UHOVCSULPSZJGE-MWLCHTKSSA-N 0 0 184.279 2.009 10 0 AEAERN CCCSCc1nc(Cl)n[nH]1 83488184 573532589 /nfs/dbraw/zinc/53/25/89/573532589.db2.gz ZQMJSGPZCCMGTD-UHFFFAOYSA-N 0 0 191.687 2.101 10 0 AEAERN CCn1c(Cl)cnc1C1CC1 258681843 573532626 /nfs/dbraw/zinc/53/26/26/573532626.db2.gz YORBDLMBOQVXFP-UHFFFAOYSA-N 0 0 170.643 2.434 10 0 AEAERN C[C@H](CO)C(=O)c1cccc(Cl)c1 238429687 573532627 /nfs/dbraw/zinc/53/26/27/573532627.db2.gz DPATTYUMGVTHAQ-SSDOTTSWSA-N 0 0 198.649 2.151 10 0 AEAERN C[C@H](O)[C@]1(C)CCCC(C)(C)O1 238430022 573532644 /nfs/dbraw/zinc/53/26/44/573532644.db2.gz ZRGKBQBLSSRYBC-WPRPVWTQSA-N 0 0 172.268 2.105 10 0 AEAERN CCC[C@@H](O)CSC(C)C 83488746 573532663 /nfs/dbraw/zinc/53/26/63/573532663.db2.gz OHMWFKIDVMGENN-MRVPVSSYSA-N 0 0 162.298 2.289 10 0 AEAERN C[C@@]12CCCC[C@@H]1COC2 238429732 573532672 /nfs/dbraw/zinc/53/26/72/573532672.db2.gz QEUDCIBUCKJNRI-BDAKNGLRSA-N 0 0 140.226 2.213 10 0 AEAERN CC(C)c1n[nH]c2cccc(N)c12 257828615 573532708 /nfs/dbraw/zinc/53/27/08/573532708.db2.gz IMIAVLWFWAQYAE-UHFFFAOYSA-N 0 0 175.235 2.269 10 0 AEAERN CC(C)[C@](C)(O)CC1CCOCC1 83503394 573532724 /nfs/dbraw/zinc/53/27/24/573532724.db2.gz RGBQLUQMWBNDSD-LLVKDONJSA-N 0 0 186.295 2.210 10 0 AEAERN CCCC(=O)N[C@@H](C)Cc1ccoc1 585243599 573532726 /nfs/dbraw/zinc/53/27/26/573532726.db2.gz OVCUMNNJHQZLFU-VIFPVBQESA-N 0 0 195.262 2.127 10 0 AEAERN CC(C)CC[C@]1(O)CCO[C@H](C)C1 83506134 573537434 /nfs/dbraw/zinc/53/74/34/573537434.db2.gz FOYCOWDQOLXHQK-MNOVXSKESA-N 0 0 186.295 2.353 10 0 AEAERN C[C@@H](O)C(F)(F)C[C@@H]1CCCS1 257829268 573536703 /nfs/dbraw/zinc/53/67/03/573536703.db2.gz IRTTUKOHYYRDMZ-RQJHMYQMSA-N 0 0 196.262 2.288 10 0 AEAERN OCCc1c(F)ccc2ccoc12 258054486 573536705 /nfs/dbraw/zinc/53/67/05/573536705.db2.gz RVENKOLVMJALIA-UHFFFAOYSA-N 0 0 180.178 2.107 10 0 AEAERN CC(C)N1C(=O)Cc2cc(F)ccc21 258054721 573536713 /nfs/dbraw/zinc/53/67/13/573536713.db2.gz LJJVUTHDEJCSJP-UHFFFAOYSA-N 0 0 193.221 2.123 10 0 AEAERN O[C@H](CC1CCCC1)[C@@H]1CCCOC1 83505559 573536754 /nfs/dbraw/zinc/53/67/54/573536754.db2.gz BYWJXNHOKWNSOR-VXGBXAGGSA-N 0 0 198.306 2.354 10 0 AEAERN C[C@@]12CCCC[C@@](CO)(CCC1)[C@@H]2O 238430576 573537444 /nfs/dbraw/zinc/53/74/44/573537444.db2.gz SIFUXLZQHBTWNO-UTUOFQBUSA-N 0 0 198.306 2.090 10 0 AEAERN C/C=C\CC(C)(C)[C@@H](C)O 220552438 573536762 /nfs/dbraw/zinc/53/67/62/573536762.db2.gz FZQHIEUSCDMFRK-RPSMYOMKSA-N 0 0 142.242 2.360 10 0 AEAERN C[C@@H]1CCCn2c(C3CCC3)nnc21 258052742 573536764 /nfs/dbraw/zinc/53/67/64/573536764.db2.gz AKRRXPPDGKOTLW-MRVPVSSYSA-N 0 0 191.278 2.443 10 0 AEAERN O[C@@H](C1=CCCC1)C(F)(F)C(F)F 86639084 573536806 /nfs/dbraw/zinc/53/68/06/573536806.db2.gz ADLSAEQAEYWTTI-LURJTMIESA-N 0 0 198.159 2.358 10 0 AEAERN CC(C)(C)CC[C@@]1(O)CCCOC1 83506425 573536812 /nfs/dbraw/zinc/53/68/12/573536812.db2.gz YQNSZXNODVVJRF-NSHDSACASA-N 0 0 186.295 2.354 10 0 AEAERN COc1ccc([C@H]2CC[C@H]2CO)cc1 257829246 573536829 /nfs/dbraw/zinc/53/68/29/573536829.db2.gz IRDXBXDINOZDAN-CMPLNLGQSA-N 0 0 192.258 2.181 10 0 AEAERN O=Cc1ncc2ccc(Cl)cc2n1 257829286 573536855 /nfs/dbraw/zinc/53/68/55/573536855.db2.gz ISEPTDALXBYDEG-UHFFFAOYSA-N 0 0 192.605 2.096 10 0 AEAERN CC[C@H](C)C[C@@]1(O)CCO[C@H](C)C1 83506149 573536893 /nfs/dbraw/zinc/53/68/93/573536893.db2.gz WQIMCWCXJAHLNQ-AXFHLTTASA-N 0 0 186.295 2.353 10 0 AEAERN CC(C)(C)CC[C@]1(O)CCCOC1 83506424 573536909 /nfs/dbraw/zinc/53/69/09/573536909.db2.gz YQNSZXNODVVJRF-LLVKDONJSA-N 0 0 186.295 2.354 10 0 AEAERN N[C@@H](C1=CCCC1)C(F)(F)C(F)F 86638896 573536925 /nfs/dbraw/zinc/53/69/25/573536925.db2.gz SBZLBZVWWSMBMP-LURJTMIESA-N 0 0 197.175 2.324 10 0 AEAERN CC[C@]1(c2cccc(O)c2)C[C@H]1CO 257824322 573536935 /nfs/dbraw/zinc/53/69/35/573536935.db2.gz GSTSPOUDLIBMHK-CMPLNLGQSA-N 0 0 192.258 2.052 10 0 AEAERN O[C@H](C1=CCCC1)C(F)(F)C(F)F 86639087 573536959 /nfs/dbraw/zinc/53/69/59/573536959.db2.gz ADLSAEQAEYWTTI-ZCFIWIBFSA-N 0 0 198.159 2.358 10 0 AEAERN C[C@H]1C(=O)CO[C@@]1(C)C(C)(C)C 238434063 573536978 /nfs/dbraw/zinc/53/69/78/573536978.db2.gz SQOBNGGKOIOCMQ-OIBJUYFYSA-N 0 0 170.252 2.027 10 0 AEAERN O[C@H](CC1CCCC1)C1CCOCC1 83505491 573536993 /nfs/dbraw/zinc/53/69/93/573536993.db2.gz CHLSACFMLLFGCC-GFCCVEGCSA-N 0 0 198.306 2.354 10 0 AEAERN CCc1cccc([C@H](F)CO)c1 257824272 573537019 /nfs/dbraw/zinc/53/70/19/573537019.db2.gz GEBCSARCGOROOW-SNVBAGLBSA-N 0 0 168.211 2.252 10 0 AEAERN CC(=O)Cc1ccc2ncccc2c1 107347243 573537026 /nfs/dbraw/zinc/53/70/26/573537026.db2.gz DDKOMBCAZRXPOS-UHFFFAOYSA-N 0 0 185.226 2.366 10 0 AEAERN COC(=O)C(F)(F)CC(C)(C)C 257829402 573537027 /nfs/dbraw/zinc/53/70/27/573537027.db2.gz IVKPNQQRUBSFTJ-UHFFFAOYSA-N 0 0 180.194 2.231 10 0 AEAERN COc1ccn2cc(C(C)C)nc2c1 258053107 573537056 /nfs/dbraw/zinc/53/70/56/573537056.db2.gz TXHGESXYMKKIBD-UHFFFAOYSA-N 0 0 190.246 2.466 10 0 AEAERN O[C@@H](CC1CCCC1)[C@@H]1CCCOC1 83505558 573537061 /nfs/dbraw/zinc/53/70/61/573537061.db2.gz BYWJXNHOKWNSOR-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN CC(C)c1ccc(C2(O)CC2)c(O)c1 258053752 573537080 /nfs/dbraw/zinc/53/70/80/573537080.db2.gz KWEZMLGRLXJAGP-UHFFFAOYSA-N 0 0 192.258 2.497 10 0 AEAERN CCc1cccc(CC(C)=O)c1O 107337251 573537092 /nfs/dbraw/zinc/53/70/92/573537092.db2.gz XHZJGDJMOYCLSX-UHFFFAOYSA-N 0 0 178.231 2.086 10 0 AEAERN C[C@H](CO)CC(Cl)(Cl)Cl 238430551 573537096 /nfs/dbraw/zinc/53/70/96/573537096.db2.gz UNBWDYUHLZWANS-BYPYZUCNSA-N 0 0 191.485 2.375 10 0 AEAERN O[C@@H](CC1CCCC1)[C@H]1CCCOC1 83505560 573537109 /nfs/dbraw/zinc/53/71/09/573537109.db2.gz BYWJXNHOKWNSOR-RYUDHWBXSA-N 0 0 198.306 2.354 10 0 AEAERN CC(C)Oc1ccc(SN)cc1 259104443 573537130 /nfs/dbraw/zinc/53/71/30/573537130.db2.gz AFXFQJKGKWSIQA-UHFFFAOYSA-N 0 0 183.276 2.440 10 0 AEAERN CC[C@@]1(c2cccc(O)c2)C[C@H]1CO 257824323 573537146 /nfs/dbraw/zinc/53/71/46/573537146.db2.gz GSTSPOUDLIBMHK-JQWIXIFHSA-N 0 0 192.258 2.052 10 0 AEAERN O[C@@H](CC1CCCCC1)[C@@H]1CCOC1 83505150 573537161 /nfs/dbraw/zinc/53/71/61/573537161.db2.gz BUMLLLDGDDQCNT-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN CC[C@H](C)[C@@H](C)/C=C/[N+](=O)[O-] 224254062 573537180 /nfs/dbraw/zinc/53/71/80/573537180.db2.gz FCXSTBTVGQFANC-JBGJSGBSSA-N 0 0 157.213 2.459 10 0 AEAERN C[C@@H]1CC=C[C@H]2[C@@H](C1=O)C2(C)C 238431241 573537212 /nfs/dbraw/zinc/53/72/12/573537212.db2.gz JDUHCIFPYQGSKI-VGMNWLOBSA-N 0 0 164.248 2.424 10 0 AEAERN CCOc1cnn(C(C)(C)C)c1 258760545 573537225 /nfs/dbraw/zinc/53/72/25/573537225.db2.gz WRDYMEIISYWPSB-UHFFFAOYSA-N 0 0 168.240 2.037 10 0 AEAERN C[C@@H]1CC[C@](O)(CC2CCOCC2)C1 83506887 573537229 /nfs/dbraw/zinc/53/72/29/573537229.db2.gz VTEHBPDGMFXIJV-ZYHUDNBSSA-N 0 0 198.306 2.354 10 0 AEAERN CC(C)CC[C@@]1(O)CCO[C@H](C)C1 83506136 573537258 /nfs/dbraw/zinc/53/72/58/573537258.db2.gz FOYCOWDQOLXHQK-GHMZBOCLSA-N 0 0 186.295 2.353 10 0 AEAERN CC[C@H](C)C[C@]1(O)CCO[C@H](C)C1 83506147 573537279 /nfs/dbraw/zinc/53/72/79/573537279.db2.gz WQIMCWCXJAHLNQ-HBNTYKKESA-N 0 0 186.295 2.353 10 0 AEAERN C[C@@H]1CC[C@@](O)(CC2CCOCC2)C1 83506889 573537298 /nfs/dbraw/zinc/53/72/98/573537298.db2.gz VTEHBPDGMFXIJV-PWSUYJOCSA-N 0 0 198.306 2.354 10 0 AEAERN O[C@H](CC1CCCCC1)[C@H]1CCOC1 83505153 573537319 /nfs/dbraw/zinc/53/73/19/573537319.db2.gz BUMLLLDGDDQCNT-NWDGAFQWSA-N 0 0 198.306 2.354 10 0 AEAERN CC(C)=C[C@@H](C)/C=C/CO 238434009 573537352 /nfs/dbraw/zinc/53/73/52/573537352.db2.gz MAVKPNKHDPSIND-MOVJSRMASA-N 0 0 140.226 2.137 10 0 AEAERN O=Cc1nocc1C1CCCC1 257829301 573537382 /nfs/dbraw/zinc/53/73/82/573537382.db2.gz IUCNGMGYVMYKAB-UHFFFAOYSA-N 0 0 165.192 2.145 10 0 AEAERN CSCC[C@@H](C(C)C)[C@H](C)O 130304281 573537482 /nfs/dbraw/zinc/53/74/82/573537482.db2.gz UVRGDWNWQBUBIS-IUCAKERBSA-N 0 0 176.325 2.393 10 0 AEAERN C[C@H](O)[C@]1(C)CC[C@@H](C2CCCC2)O1 238431020 573537484 /nfs/dbraw/zinc/53/74/84/573537484.db2.gz RLWOJMNOIIEUBP-DLOVCJGASA-N 0 0 198.306 2.495 10 0 AEAERN CCCC[C@@H](O)CCSC 83505735 573537502 /nfs/dbraw/zinc/53/75/02/573537502.db2.gz GFTKKNQTXHBWBF-MRVPVSSYSA-N 0 0 162.298 2.291 10 0 AEAERN CCO[C@@H](CC)c1noc(Cl)n1 158281006 573537576 /nfs/dbraw/zinc/53/75/76/573537576.db2.gz ASQYLCNMJINMFY-YFKPBYRVSA-N 0 0 190.630 2.211 10 0 AEAERN O[C@H](CC1CCCCC1)[C@@H]1CCOC1 83505151 573537610 /nfs/dbraw/zinc/53/76/10/573537610.db2.gz BUMLLLDGDDQCNT-VXGBXAGGSA-N 0 0 198.306 2.354 10 0 AEAERN C[C@H]1C[C@](O)(CC2CCCC2)CCO1 83506143 573537635 /nfs/dbraw/zinc/53/76/35/573537635.db2.gz GIXXGNHCQPUAIE-JQWIXIFHSA-N 0 0 198.306 2.497 10 0 AEAERN O[C@]1(CC2CCCC2)CCCOC1 83506465 573537650 /nfs/dbraw/zinc/53/76/50/573537650.db2.gz OYCYFXDYRQXIHY-NSHDSACASA-N 0 0 184.279 2.108 10 0 AEAERN C[C@@H]1C[C@](O)(CC2CCCC2)CCO1 83506142 573537670 /nfs/dbraw/zinc/53/76/70/573537670.db2.gz GIXXGNHCQPUAIE-PWSUYJOCSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@@H]1CC=C[C@@H]2CC(=O)C[C@H]12 238430615 573537684 /nfs/dbraw/zinc/53/76/84/573537684.db2.gz CSGVKAZXRFVSFJ-NQMVMOMDSA-N 0 0 150.221 2.178 10 0 AEAERN CCCC[C@H](O)CCSC 83505734 573537685 /nfs/dbraw/zinc/53/76/85/573537685.db2.gz GFTKKNQTXHBWBF-QMMMGPOBSA-N 0 0 162.298 2.291 10 0 AEAERN Cc1cccc(C(F)(F)[C@@H]2CCN2)c1 257824303 573537696 /nfs/dbraw/zinc/53/76/96/573537696.db2.gz GRXGFIZQUWPCLA-JTQLQIEISA-N 0 0 197.228 2.449 10 0 AEAERN Cc1ccc(-c2c[nH]nc2C=O)cc1 257829373 573537723 /nfs/dbraw/zinc/53/77/23/573537723.db2.gz IYKKRPKSLKFOJR-UHFFFAOYSA-N 0 0 186.214 2.198 10 0 AEAERN CC[C@]1(c2cccc(O)c2)C[C@@H]1CO 257824325 573537776 /nfs/dbraw/zinc/53/77/76/573537776.db2.gz GSTSPOUDLIBMHK-ZYHUDNBSSA-N 0 0 192.258 2.052 10 0 AEAERN COc1c(C)cc(F)cc1C(C)=O 107344036 573537782 /nfs/dbraw/zinc/53/77/82/573537782.db2.gz ZYPKKWVFNQHXJP-UHFFFAOYSA-N 0 0 182.194 2.345 10 0 AEAERN COc1ccc([C@@H]2CC[C@H]2CO)cc1 257829247 573537791 /nfs/dbraw/zinc/53/77/91/573537791.db2.gz IRDXBXDINOZDAN-JQWIXIFHSA-N 0 0 192.258 2.181 10 0 AEAERN Nc1ccc(CNc2ccccc2)cn1 257824114 573537816 /nfs/dbraw/zinc/53/78/16/573537816.db2.gz FCGMTFAUYUSEHM-UHFFFAOYSA-N 0 0 199.257 2.276 10 0 AEAERN CC(=O)c1nsnc1C(C)(C)C 257829357 573537852 /nfs/dbraw/zinc/53/78/52/573537852.db2.gz ITYCFSRPQCPSKA-UHFFFAOYSA-N 0 0 184.264 2.038 10 0 AEAERN ONCc1cc2ccoc2cc1F 258056285 573537883 /nfs/dbraw/zinc/53/78/83/573537883.db2.gz SANOZOOPSAWBDT-UHFFFAOYSA-N 0 0 181.166 2.051 10 0 AEAERN C[C@H](CO)CC[C@@H]1C=CCC1 238431353 573537894 /nfs/dbraw/zinc/53/78/94/573537894.db2.gz GCNUQPKAOLADEG-VHSXEESVSA-N 0 0 154.253 2.361 10 0 AEAERN C[C@@H]1CCO[C@H]1c1ccccc1O 238433819 573537917 /nfs/dbraw/zinc/53/79/17/573537917.db2.gz IKKOUWPVFKYIDU-LDYMZIIASA-N 0 0 178.231 2.490 10 0 AEAERN N[C@@H](c1ccco1)C(F)(F)C(F)F 86638851 573537923 /nfs/dbraw/zinc/53/79/23/573537923.db2.gz MGTUCDJQVKGITL-YFKPBYRVSA-N 0 0 197.131 2.180 10 0 AEAERN C[C@@H]1CC=C[C@H]2CCC(=O)[C@H]12 238431194 573537925 /nfs/dbraw/zinc/53/79/25/573537925.db2.gz YMRMRSSENSQQDH-KHQFGBGNSA-N 0 0 150.221 2.178 10 0 AEAERN C[C@H]1C=CC[C@@H](C)C(=O)[C@@H]1C 238430951 573537930 /nfs/dbraw/zinc/53/79/30/573537930.db2.gz VRVDEPOUVNXRKK-DJLDLDEBSA-N 0 0 152.237 2.424 10 0 AEAERN O[C@H](CC1CCCC1)[C@H]1CCCOC1 83505561 573537947 /nfs/dbraw/zinc/53/79/47/573537947.db2.gz BYWJXNHOKWNSOR-NWDGAFQWSA-N 0 0 198.306 2.354 10 0 AEAERN NCc1nc2ccc3ccccc3c2o1 257824179 573537949 /nfs/dbraw/zinc/53/79/49/573537949.db2.gz FFGBGVNOMXDEQD-UHFFFAOYSA-N 0 0 198.225 2.440 10 0 AEAERN CSc1cnc(Cl)c(C=O)c1 238433823 573537952 /nfs/dbraw/zinc/53/79/52/573537952.db2.gz KDIJQHDKGGOTPK-UHFFFAOYSA-N 0 0 187.651 2.269 10 0 AEAERN O[C@@H](CC1CCCCC1)[C@H]1CCOC1 83505152 573537963 /nfs/dbraw/zinc/53/79/63/573537963.db2.gz BUMLLLDGDDQCNT-RYUDHWBXSA-N 0 0 198.306 2.354 10 0 AEAERN C[C@@H]1C[C@@H](O)O[C@@H]1C1CCCCC1 238431218 573538296 /nfs/dbraw/zinc/53/82/96/573538296.db2.gz GCXLXSLECVMRSN-MIMYLULJSA-N 0 0 184.279 2.310 10 0 AEAERN CO/C=C(\CO)CCc1ccccc1 308617102 573537972 /nfs/dbraw/zinc/53/79/72/573537972.db2.gz AVKVNGHAFJEAIP-BENRWUELSA-N 0 0 192.258 2.142 10 0 AEAERN CC(C)c1nnc(NC2CC2)s1 107346145 573537989 /nfs/dbraw/zinc/53/79/89/573537989.db2.gz GKVOMRANKKXRHZ-UHFFFAOYSA-N 0 0 183.280 2.236 10 0 AEAERN C[C@H]1C(=O)CCc2cccc(O)c21 238433953 573538012 /nfs/dbraw/zinc/53/80/12/573538012.db2.gz ZJSGIHGIUMDPOE-ZETCQYMHSA-N 0 0 176.215 2.011 10 0 AEAERN O[C@@]1(CC2CCCC2)CCCOC1 83506464 573538021 /nfs/dbraw/zinc/53/80/21/573538021.db2.gz OYCYFXDYRQXIHY-LLVKDONJSA-N 0 0 184.279 2.108 10 0 AEAERN C[C@H]1C(=O)CCc2c(O)cccc21 238433931 573538026 /nfs/dbraw/zinc/53/80/26/573538026.db2.gz YZOICVURNGDOPC-SSDOTTSWSA-N 0 0 176.215 2.011 10 0 AEAERN CC(C)CC[C@]1(O)CCO[C@@H](C)C1 83506135 573538049 /nfs/dbraw/zinc/53/80/49/573538049.db2.gz FOYCOWDQOLXHQK-QWRGUYRKSA-N 0 0 186.295 2.353 10 0 AEAERN CC(C)CC[C@@]1(O)CCO[C@@H](C)C1 83506137 573538058 /nfs/dbraw/zinc/53/80/58/573538058.db2.gz FOYCOWDQOLXHQK-WDEREUQCSA-N 0 0 186.295 2.353 10 0 AEAERN C[C@H]1CC[C@](O)(CC2CCOCC2)C1 83506888 573538069 /nfs/dbraw/zinc/53/80/69/573538069.db2.gz VTEHBPDGMFXIJV-CMPLNLGQSA-N 0 0 198.306 2.354 10 0 AEAERN CC[C@@]1(c2cccc(O)c2)C[C@@H]1CO 257824324 573538073 /nfs/dbraw/zinc/53/80/73/573538073.db2.gz GSTSPOUDLIBMHK-PWSUYJOCSA-N 0 0 192.258 2.052 10 0 AEAERN C[C@@H](CO)c1ccc(CCF)cc1 258056470 573538202 /nfs/dbraw/zinc/53/82/02/573538202.db2.gz LCXMSOBTPDOHBT-VIFPVBQESA-N 0 0 182.238 2.294 10 0 AEAERN C[C@@H](O)C(F)(F)C[C@H]1CCCS1 257829267 573538212 /nfs/dbraw/zinc/53/82/12/573538212.db2.gz IRTTUKOHYYRDMZ-RNFRBKRXSA-N 0 0 196.262 2.288 10 0 AEAERN OC[C@@H](F)c1ccc(F)cc1Cl 257829341 573538217 /nfs/dbraw/zinc/53/82/17/573538217.db2.gz IXGJRXVWUVUQJV-MRVPVSSYSA-N 0 0 192.592 2.482 10 0 AEAERN C[C@H]1CC[C@@](O)(CC2CCOCC2)C1 83506890 573538245 /nfs/dbraw/zinc/53/82/45/573538245.db2.gz VTEHBPDGMFXIJV-JQWIXIFHSA-N 0 0 198.306 2.354 10 0 AEAERN Cn1nc(C2CC2)c2cc(O)ccc21 257824321 573538256 /nfs/dbraw/zinc/53/82/56/573538256.db2.gz GSQITMCGCYJJEE-UHFFFAOYSA-N 0 0 188.230 2.156 10 0 AEAERN C[C@@H]1Oc2cc(O)cc(O)c2C1(C)C 238431219 573537460 /nfs/dbraw/zinc/53/74/60/573537460.db2.gz QNVSBDTXGREZNO-LURJTMIESA-N 0 0 194.230 2.156 10 0 AEAERN CC(C)c1nn(C)c2cccc(N)c12 257824328 573537465 /nfs/dbraw/zinc/53/74/65/573537465.db2.gz GTAOYYCNXDLLJI-UHFFFAOYSA-N 0 0 189.262 2.279 10 0 AEAERN CC(=O)C(F)(F)[C@@H]1CCCSC1 257824823 573546183 /nfs/dbraw/zinc/54/61/83/573546183.db2.gz GZSATKVFKGLUIQ-SSDOTTSWSA-N 0 0 194.246 2.354 10 0 AEAERN O[C@@H]1C=C(c2ccc(F)cc2)CC1 83549047 573546190 /nfs/dbraw/zinc/54/61/90/573546190.db2.gz NWOJWQIYRQQCAH-NSHDSACASA-N 0 0 178.206 2.364 10 0 AEAERN CCCCC1=C[C@H](O)CC1 83548578 573546195 /nfs/dbraw/zinc/54/61/95/573546195.db2.gz COJKCJSOPZSRDU-SECBINFHSA-N 0 0 140.226 2.258 10 0 AEAERN CC(C)CC1=C[C@H](O)CC1 83548742 573546248 /nfs/dbraw/zinc/54/62/48/573546248.db2.gz KLNHTBDGFCFKMW-SECBINFHSA-N 0 0 140.226 2.114 10 0 AEAERN O[C@@H]1C=C(Cc2cccs2)CC1 83549071 573546351 /nfs/dbraw/zinc/54/63/51/573546351.db2.gz SOLQUGJBAFJLRV-VIFPVBQESA-N 0 0 180.272 2.372 10 0 AEAERN C[C@@H]1CCC(=O)c2ccncc21 238436272 573546354 /nfs/dbraw/zinc/54/63/54/573546354.db2.gz XSHNJSXMHSRACD-SSDOTTSWSA-N 0 0 161.204 2.162 10 0 AEAERN CC(C)(C)[C@H](O)c1cccc(O)c1N 257824739 573546362 /nfs/dbraw/zinc/54/63/62/573546362.db2.gz GXGVWBLFQOTQSK-SNVBAGLBSA-N 0 0 195.262 2.054 10 0 AEAERN CC(C)(C)[C@@H](O)c1cccc(O)c1N 257824382 573546376 /nfs/dbraw/zinc/54/63/76/573546376.db2.gz GXGVWBLFQOTQSK-JTQLQIEISA-N 0 0 195.262 2.054 10 0 AEAERN COc1cccc(C2=C[C@@H](O)CC2)c1 83549044 573546393 /nfs/dbraw/zinc/54/63/93/573546393.db2.gz LPNAACNCPCRKSZ-NSHDSACASA-N 0 0 190.242 2.233 10 0 AEAERN OCCCC/C=C\C1(O)CCCCC1 308619012 573546457 /nfs/dbraw/zinc/54/64/57/573546457.db2.gz CJFLFORBOYTUIF-YWEYNIOJSA-N 0 0 198.306 2.400 10 0 AEAERN Cc1cc(C)c([C@H](C)NC=O)c(C)c1 238435669 573546490 /nfs/dbraw/zinc/54/64/90/573546490.db2.gz GHDLXNZKJQXLKH-NSHDSACASA-N 0 0 191.274 2.419 10 0 AEAERN C[C@@H]1CCC(=O)c2c(O)ccc(O)c21 238436078 573546524 /nfs/dbraw/zinc/54/65/24/573546524.db2.gz FDPXHSCNVFKSKS-ZCFIWIBFSA-N 0 0 192.214 2.178 10 0 AEAERN Nc1ccc2c(c1)C[C@@H](C(F)F)C2 257825005 573546534 /nfs/dbraw/zinc/54/65/34/573546534.db2.gz GWUDYLGPSBEQET-QMMMGPOBSA-N 0 0 183.201 2.249 10 0 AEAERN C[C@H]1ON=C(c2ccccc2)C1C=O 308626735 573546542 /nfs/dbraw/zinc/54/65/42/573546542.db2.gz NKOXVOBCNUUFES-FBHKUJJOSA-N 0 0 189.214 2.251 10 0 AEAERN CC(C)Cc1nnc(NC2CC2)s1 107366211 573546566 /nfs/dbraw/zinc/54/65/66/573546566.db2.gz XSNMRYGPXNFFOP-UHFFFAOYSA-N 0 0 197.307 2.311 10 0 AEAERN OCNc1cc(Cl)ccc1Cl 258766297 573546578 /nfs/dbraw/zinc/54/65/78/573546578.db2.gz YIEUXXYPVCOXAO-UHFFFAOYSA-N 0 0 192.045 2.355 10 0 AEAERN CC(=O)c1cccc(N2CC[C@@H]2C)c1 86662616 573546580 /nfs/dbraw/zinc/54/65/80/573546580.db2.gz REVVKCMWRZJDNB-VIFPVBQESA-N 0 0 189.258 2.488 10 0 AEAERN OC[C@@H]1CCc2cccc(Cl)c2N1 107366291 573546584 /nfs/dbraw/zinc/54/65/84/573546584.db2.gz LFPBRKYKRZUZLJ-QMMMGPOBSA-N 0 0 197.665 2.059 10 0 AEAERN CC(=O)c1cn2cccc(Cl)c2n1 107360723 573546620 /nfs/dbraw/zinc/54/66/20/573546620.db2.gz GBAUFQJIBRHSBQ-UHFFFAOYSA-N 0 0 194.621 2.190 10 0 AEAERN C[C@@]12CCC[C@@H](C1)C(=O)C2 238436402 573546647 /nfs/dbraw/zinc/54/66/47/573546647.db2.gz ZBNOQCYNOVLSJN-IONNQARKSA-N 0 0 138.210 2.156 10 0 AEAERN C[C@H](O)CCc1cccc2[nH]ccc12 238436082 573546654 /nfs/dbraw/zinc/54/66/54/573546654.db2.gz WJBXCIYOCSBZAG-VIFPVBQESA-N 0 0 189.258 2.481 10 0 AEAERN COC[C@@H]1CNc2ccc(F)cc2C1 107361737 573546701 /nfs/dbraw/zinc/54/67/01/573546701.db2.gz RVCDQUSWJZNGLF-QMMMGPOBSA-N 0 0 195.237 2.056 10 0 AEAERN C[C@H]1CCCN1c1ccc(F)c(N)c1 86658249 573546735 /nfs/dbraw/zinc/54/67/35/573546735.db2.gz YAEWMOMNEGODLZ-QMMMGPOBSA-N 0 0 194.253 2.397 10 0 AEAERN O[C@@H]1C=C(Cc2ccc(F)cc2)CC1 83548563 573546813 /nfs/dbraw/zinc/54/68/13/573546813.db2.gz MZNOFBRXKLWGCJ-LBPRGKRZSA-N 0 0 192.233 2.449 10 0 AEAERN O[C@H]1C=C(c2cccc(F)c2)CC1 83548672 573546821 /nfs/dbraw/zinc/54/68/21/573546821.db2.gz IXHUVSLQNCBBTM-LLVKDONJSA-N 0 0 178.206 2.364 10 0 AEAERN O=Cc1cccc2[nH]nc(C3CC3)c12 257826014 573550236 /nfs/dbraw/zinc/55/02/36/573550236.db2.gz HJKIGKOTVFSIFN-UHFFFAOYSA-N 0 0 186.214 2.253 10 0 AEAERN C[C@H](CO)[C@H]1CCc2ccccc2N1 238438013 573550247 /nfs/dbraw/zinc/55/02/47/573550247.db2.gz WRNWUHGXOBWBDX-MWLCHTKSSA-N 0 0 191.274 2.042 10 0 AEAERN COc1c(C)cc(F)cc1CC(C)=O 107364159 573549667 /nfs/dbraw/zinc/54/96/67/573549667.db2.gz GOUBBOFMNAFMOF-UHFFFAOYSA-N 0 0 196.221 2.274 10 0 AEAERN O[C@@H]1C=C(c2ccccc2F)CC1 83549068 573549683 /nfs/dbraw/zinc/54/96/83/573549683.db2.gz XTIOFBWKUCIBAW-VIFPVBQESA-N 0 0 178.206 2.364 10 0 AEAERN O[C@@H]1C=C(C2CCCC2)CC1 83549036 573549688 /nfs/dbraw/zinc/54/96/88/573549688.db2.gz ITERDNUHEDOJFC-JTQLQIEISA-N 0 0 152.237 2.258 10 0 AEAERN CCC(=O)[C@@H](C)/C=C(/C)[C@@H](O)CC 393534154 573549695 /nfs/dbraw/zinc/54/96/95/573549695.db2.gz FZNHNUYOCSBYBT-LDNBIZGLSA-N 0 0 184.279 2.319 10 0 AEAERN COC[C@@H]1CCc2ccc(F)cc2N1 107361724 573549711 /nfs/dbraw/zinc/54/97/11/573549711.db2.gz ODXNALDNQFVFAU-JTQLQIEISA-N 0 0 195.237 2.199 10 0 AEAERN O[C@@H]1C=C(Cc2ccccc2F)CC1 83548664 573549723 /nfs/dbraw/zinc/54/97/23/573549723.db2.gz DVDVOBLZUHFFTN-NSHDSACASA-N 0 0 192.233 2.449 10 0 AEAERN COc1c(O)cnc(C(F)F)c1C 238437329 573549725 /nfs/dbraw/zinc/54/97/25/573549725.db2.gz GCOTUNLDFTWQQP-UHFFFAOYSA-N 0 0 189.161 2.042 10 0 AEAERN CCCCCCC1=C(CO)[C@]1(C)CO 308629993 573549771 /nfs/dbraw/zinc/54/97/71/573549771.db2.gz SOBBAQTUTQWHFS-GFCCVEGCSA-N 0 0 198.306 2.258 10 0 AEAERN Cc1ccc(-c2cnc(CN)o2)s1 83554412 573549822 /nfs/dbraw/zinc/54/98/22/573549822.db2.gz OYBMABLDCCRJLX-UHFFFAOYSA-N 0 0 194.259 2.170 10 0 AEAERN COc1c(O)cccc1[C@H]([NH3+])C(C)C 238436821 573549834 /nfs/dbraw/zinc/54/98/34/573549834.db2.gz KNICLAOUXFKDPP-SNVBAGLBSA-N 0 0 195.262 2.057 10 0 AEAERN COc1ccc([C@@H](F)CO)c(C)c1 257826103 573549906 /nfs/dbraw/zinc/54/99/06/573549906.db2.gz GZHWELFIVPXSQF-JTQLQIEISA-N 0 0 184.210 2.007 10 0 AEAERN Cc1cc2cc(N)cc3c2n1CCC3 259502638 573549934 /nfs/dbraw/zinc/54/99/34/573549934.db2.gz QITMZAWEFRNSQE-UHFFFAOYSA-N 0 0 186.258 2.478 10 0 AEAERN Nc1ccc([C@@H](F)[C@H]2CCOC2)cc1 258062977 573549943 /nfs/dbraw/zinc/54/99/43/573549943.db2.gz KVSOPPAZFZQGAP-GXSJLCMTSA-N 0 0 195.237 2.316 10 0 AEAERN CC1(C)CN(c2cc(N)ccc2F)C1 86662909 573550026 /nfs/dbraw/zinc/55/00/26/573550026.db2.gz DHTSBXLDVPKEGQ-UHFFFAOYSA-N 0 0 194.253 2.254 10 0 AEAERN Nc1ccccc1N1CC2(CCC2)C1 86662887 573550034 /nfs/dbraw/zinc/55/00/34/573550034.db2.gz PHIYODUHZRZTCH-UHFFFAOYSA-N 0 0 188.274 2.259 10 0 AEAERN CSc1cccc([C@@H](F)CO)c1 257825545 573550072 /nfs/dbraw/zinc/55/00/72/573550072.db2.gz GQWHJMIHUDYVLA-VIFPVBQESA-N 0 0 186.251 2.411 10 0 AEAERN Cc1ccc(CO)cc1OCC1CC1 238473141 573550144 /nfs/dbraw/zinc/55/01/44/573550144.db2.gz XUVZIYYZGRCPIP-UHFFFAOYSA-N 0 0 192.258 2.276 10 0 AEAERN OC1CCC(c2cc[nH]c2)CC1 259121588 573550156 /nfs/dbraw/zinc/55/01/56/573550156.db2.gz GIIVWQDUPXBWBL-UHFFFAOYSA-N 0 0 165.236 2.033 10 0 AEAERN CO[C@@H](c1nccc(F)n1)C(C)(C)C 689969889 573550169 /nfs/dbraw/zinc/55/01/69/573550169.db2.gz HMIXCFWODPVZAX-QMMMGPOBSA-N 0 0 198.241 2.349 10 0 AEAERN COc1ccc(N)c2sccc12 75397089 573554734 /nfs/dbraw/zinc/55/47/34/573554734.db2.gz LTCZCDIBGUNYQE-UHFFFAOYSA-N 0 0 179.244 2.492 10 0 AEAERN CC[C@@H](C)Nc1ccc(OC)c(N)c1 86662872 573554743 /nfs/dbraw/zinc/55/47/43/573554743.db2.gz JDVYEVHWAGMTBR-MRVPVSSYSA-N 0 0 194.278 2.488 10 0 AEAERN CC(=O)c1oncc1C1CCC1 257830020 573554752 /nfs/dbraw/zinc/55/47/52/573554752.db2.gz JBLRUXCSCUZSJK-UHFFFAOYSA-N 0 0 165.192 2.145 10 0 AEAERN C[C@@H]1CN(C)c2c(C=O)cccc21 258061728 573554764 /nfs/dbraw/zinc/55/47/64/573554764.db2.gz LVYBRUUGAKDBCF-MRVPVSSYSA-N 0 0 175.231 2.052 10 0 AEAERN CCCCC1(C/C=C\CO)CC(=O)C1 308620631 573554773 /nfs/dbraw/zinc/55/47/73/573554773.db2.gz DZVJMPXGHBFNCJ-PLNGDYQASA-N 0 0 196.290 2.465 10 0 AEAERN C[C@H](N)c1ncc(-c2ccsc2)o1 83554720 573554778 /nfs/dbraw/zinc/55/47/78/573554778.db2.gz ZWMBARYGWXBMQX-LURJTMIESA-N 0 0 194.259 2.423 10 0 AEAERN Cc1ccc(-c2ncccc2C=O)cn1 82384582 573554779 /nfs/dbraw/zinc/55/47/79/573554779.db2.gz LWTCEYMMVSCLJS-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN Nc1ccc2occc2c1F 75396855 573554794 /nfs/dbraw/zinc/55/47/94/573554794.db2.gz FCNSREMJBVWAPO-UHFFFAOYSA-N 0 0 151.140 2.154 10 0 AEAERN CCC[C@](C)([NH2+][C@@H]1CC[C@@H]1C)C(=O)[O-] 308619701 573554818 /nfs/dbraw/zinc/55/48/18/573554818.db2.gz SPPNOJIJVOUGLC-NGZCFLSTSA-N 0 0 199.294 2.018 10 0 AEAERN CC[C@H](C)Nc1ccc(OC)c(N)c1 86662873 573554856 /nfs/dbraw/zinc/55/48/56/573554856.db2.gz JDVYEVHWAGMTBR-QMMMGPOBSA-N 0 0 194.278 2.488 10 0 AEAERN C[C@@]1(O)CNc2ccc(Cl)cc2C1 257830121 573554870 /nfs/dbraw/zinc/55/48/70/573554870.db2.gz IWSSDQOPDNFPPC-JTQLQIEISA-N 0 0 197.665 2.059 10 0 AEAERN CC[C@H](C)[C@@H](O)Cc1ccoc1 130363112 573554925 /nfs/dbraw/zinc/55/49/25/573554925.db2.gz MPRPVVRNJMRDIG-WPRPVWTQSA-N 0 0 168.236 2.229 10 0 AEAERN CSC1=CNC(=S)CC=C1 197059369 573554937 /nfs/dbraw/zinc/55/49/37/573554937.db2.gz ZUWBJBMCHSFQSD-UHFFFAOYSA-N 0 0 171.290 2.068 10 0 AEAERN Nc1ccc(F)c(N2CC3(CC3)C2)c1 86662906 573554944 /nfs/dbraw/zinc/55/49/44/573554944.db2.gz XGHUWECJAMOPFR-UHFFFAOYSA-N 0 0 192.237 2.008 10 0 AEAERN C[C@@H]1CCN1c1cc(N)ccc1F 86662896 573554969 /nfs/dbraw/zinc/55/49/69/573554969.db2.gz KUWQLESHDWTCNI-SSDOTTSWSA-N 0 0 180.226 2.007 10 0 AEAERN CNCc1ncc([C@H](C)C(C)C)o1 83555163 573555014 /nfs/dbraw/zinc/55/50/14/573555014.db2.gz IHRKYRGCFTYGRU-MRVPVSSYSA-N 0 0 182.267 2.154 10 0 AEAERN CC(=O)c1cc2c(F)ccc(N)c2o1 75396796 573555058 /nfs/dbraw/zinc/55/50/58/573555058.db2.gz HOVPODRPJZIEOH-UHFFFAOYSA-N 0 0 193.177 2.357 10 0 AEAERN C[C@H]1CCN1c1cc(N)ccc1F 86662897 573555096 /nfs/dbraw/zinc/55/50/96/573555096.db2.gz KUWQLESHDWTCNI-ZETCQYMHSA-N 0 0 180.226 2.007 10 0 AEAERN Fc1ccc(-n2nncc2Cl)cc1 258060516 573555102 /nfs/dbraw/zinc/55/51/02/573555102.db2.gz KQZZBVCLIVDQED-UHFFFAOYSA-N 0 0 197.600 2.060 10 0 AEAERN COc1ccc2[nH]cc([C@@H](C)O)c2c1 95697815 573555139 /nfs/dbraw/zinc/55/51/39/573555139.db2.gz CUZJPPYJMHMPJS-SSDOTTSWSA-N 0 0 191.230 2.230 10 0 AEAERN COc1cc2sccc2cc1N 75397090 573555176 /nfs/dbraw/zinc/55/51/76/573555176.db2.gz JQJINORWLUXDRB-UHFFFAOYSA-N 0 0 179.244 2.492 10 0 AEAERN CCOc1cccc(C2(C)COC2)c1 258771001 573555211 /nfs/dbraw/zinc/55/52/11/573555211.db2.gz TVCICUGMQZTHKZ-UHFFFAOYSA-N 0 0 192.258 2.373 10 0 AEAERN OC[C@@H]1CC[C@H]1c1ccccc1F 257830257 573555221 /nfs/dbraw/zinc/55/52/21/573555221.db2.gz JEQCZNYLDBCJIT-DTWKUNHWSA-N 0 0 180.222 2.312 10 0 AEAERN Cc1c(N)ccc2occc12 75396852 573555238 /nfs/dbraw/zinc/55/52/38/573555238.db2.gz CAHMPEYFBFVWLL-UHFFFAOYSA-N 0 0 147.177 2.323 10 0 AEAERN C[C@H](CO)c1cccc(C(C)(C)O)c1 238438742 573555245 /nfs/dbraw/zinc/55/52/45/573555245.db2.gz GMKXUELYQMATIJ-SECBINFHSA-N 0 0 194.274 2.010 10 0 AEAERN CC(C)[C@@H](C)c1cnc([C@H](C)N)o1 83554615 573555254 /nfs/dbraw/zinc/55/52/54/573555254.db2.gz BNGKBFPIKPAXIU-SFYZADRCSA-N 0 0 182.267 2.454 10 0 AEAERN Nc1ccc(F)c2occc12 75396850 573555335 /nfs/dbraw/zinc/55/53/35/573555335.db2.gz SJJJLEUETJQERD-UHFFFAOYSA-N 0 0 151.140 2.154 10 0 AEAERN CC[C@@H](C)[C@@H](O)Cc1ccoc1 130362909 573555341 /nfs/dbraw/zinc/55/53/41/573555341.db2.gz MPRPVVRNJMRDIG-SCZZXKLOSA-N 0 0 168.236 2.229 10 0 AEAERN COc1ccc(SCCO)c(C)c1 259120764 573555374 /nfs/dbraw/zinc/55/53/74/573555374.db2.gz BVBGAJBTEGYNID-UHFFFAOYSA-N 0 0 198.287 2.088 10 0 AEAERN C[C@@H]1[C@@H]2CCC[C@@]23C(=O)CC[C@@H]13 238438683 573555375 /nfs/dbraw/zinc/55/53/75/573555375.db2.gz GHQOKQUSWPZKHD-UYAYMFIHSA-N 0 0 164.248 2.402 10 0 AEAERN COc1ccc2[nH]cc([C@H](C)O)c2c1 95697818 573555477 /nfs/dbraw/zinc/55/54/77/573555477.db2.gz CUZJPPYJMHMPJS-ZETCQYMHSA-N 0 0 191.230 2.230 10 0 AEAERN CC1(C)c2ccccc2CC[C@H]1O 197050806 573555481 /nfs/dbraw/zinc/55/54/81/573555481.db2.gz RPCZAQCJGYOLJN-LLVKDONJSA-N 0 0 176.259 2.271 10 0 AEAERN C[C@@H]1NCc2nn(-c3ccccc3)cc21 82383751 573555389 /nfs/dbraw/zinc/55/53/89/573555389.db2.gz HAEMIKVXNTWPLF-VIFPVBQESA-N 0 0 199.257 2.037 10 0 AEAERN FC(F)(F)CN[C@@H]1CC[C@H]1C1CC1 393536518 573555416 /nfs/dbraw/zinc/55/54/16/573555416.db2.gz GYLPJFWLUCQVJS-JGVFFNPUSA-N 0 0 193.212 2.327 10 0 AEAERN O=C(c1ccccc1)C1(CO)CCC1 259121466 573555425 /nfs/dbraw/zinc/55/54/25/573555425.db2.gz LVOMLLQZXCEMBS-UHFFFAOYSA-N 0 0 190.242 2.032 10 0 AEAERN Oc1cccc2c1NCCC21CC1 257830142 573555457 /nfs/dbraw/zinc/55/54/57/573555457.db2.gz JCANTNBFNXTYSE-UHFFFAOYSA-N 0 0 175.231 2.239 10 0 AEAERN Nc1cc2ccoc2cc1F 75396856 573555467 /nfs/dbraw/zinc/55/54/67/573555467.db2.gz AJVGKVWHOGFZQB-UHFFFAOYSA-N 0 0 151.140 2.154 10 0 AEAERN CCc1cc(O)cc([C@H](C)O)c1 258060403 573555471 /nfs/dbraw/zinc/55/54/71/573555471.db2.gz SOVMIEGXCVBZMK-ZETCQYMHSA-N 0 0 166.220 2.008 10 0 AEAERN C[C@H]1C(=O)CCC(C)(C)C1=O 238440055 573559960 /nfs/dbraw/zinc/55/99/60/573559960.db2.gz RHHDWKYCLPKSSY-LURJTMIESA-N 0 0 154.209 2.063 10 0 AEAERN Cc1nc(-c2ccco2)sc1N 75404375 573560007 /nfs/dbraw/zinc/56/00/07/573560007.db2.gz TYLNFEPGZCKURP-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN CN(C)c1ccccc1OC1CC1 95727119 573560017 /nfs/dbraw/zinc/56/00/17/573560017.db2.gz ZUWGPVDTNXCLSG-UHFFFAOYSA-N 0 0 177.247 2.294 10 0 AEAERN Cc1nc(-c2cccc(O)c2)c(C)[nH]1 257830663 573560060 /nfs/dbraw/zinc/56/00/60/573560060.db2.gz JATJNWPFFZMXKR-UHFFFAOYSA-N 0 0 188.230 2.399 10 0 AEAERN CC(=O)CCNc1cccc(C)c1 145161715 573560105 /nfs/dbraw/zinc/56/01/05/573560105.db2.gz JNUSVTFJGJIVST-UHFFFAOYSA-N 0 0 177.247 2.386 10 0 AEAERN Nc1ccc(F)c(F)c1-n1cccc1 236349687 573560173 /nfs/dbraw/zinc/56/01/73/573560173.db2.gz JEIFPXRYEQYCIF-UHFFFAOYSA-N 0 0 194.184 2.338 10 0 AEAERN COc1csc(C(C)C)n1 259112412 573560219 /nfs/dbraw/zinc/56/02/19/573560219.db2.gz BHCZJDCQQDTOLS-UHFFFAOYSA-N 0 0 157.238 2.275 10 0 AEAERN O=Cc1occc1Cc1ccccn1 75410443 573560289 /nfs/dbraw/zinc/56/02/89/573560289.db2.gz BRMBDQZNVWMYQU-UHFFFAOYSA-N 0 0 187.198 2.078 10 0 AEAERN OC1CCC(Nc2cccs2)CC1 258777335 573560295 /nfs/dbraw/zinc/56/02/95/573560295.db2.gz LJKWVZPPXMTYTN-UHFFFAOYSA-N 0 0 197.303 2.464 10 0 AEAERN CCC(=C/CCO)/C(=C/CCO)CC 308622167 573560315 /nfs/dbraw/zinc/56/03/15/573560315.db2.gz GTGOISWGXRPWFL-NTLHZVPKSA-N 0 0 198.306 2.424 10 0 AEAERN CCC1CN(c2cc(F)ccc2N)C1 86678434 573560417 /nfs/dbraw/zinc/56/04/17/573560417.db2.gz ZRQRQLJAQGDDMF-UHFFFAOYSA-N 0 0 194.253 2.254 10 0 AEAERN Oc1ccccc1[C@H]1C[C@@H]1F 259507418 573560453 /nfs/dbraw/zinc/56/04/53/573560453.db2.gz ZCXJYXCACCNUNU-SFYZADRCSA-N 0 0 152.168 2.218 10 0 AEAERN O=Cc1cc(C2CCOCC2)cs1 82385728 573560460 /nfs/dbraw/zinc/56/04/60/573560460.db2.gz AWZLQPNZILWIMC-UHFFFAOYSA-N 0 0 196.271 2.455 10 0 AEAERN OCCC/C=C\[C@H](O)c1ccccc1 308622111 573560491 /nfs/dbraw/zinc/56/04/91/573560491.db2.gz GMCBRSPESQLBII-LRAPTIAOSA-N 0 0 192.258 2.049 10 0 AEAERN OC1(c2cccc(CCF)c2)CC1 258062605 573560541 /nfs/dbraw/zinc/56/05/41/573560541.db2.gz SUMFVHODJGAICM-UHFFFAOYSA-N 0 0 180.222 2.180 10 0 AEAERN Oc1ccccc1[C@H]1C[C@H]1F 259507416 573560663 /nfs/dbraw/zinc/56/06/63/573560663.db2.gz ZCXJYXCACCNUNU-HTQZYQBOSA-N 0 0 152.168 2.218 10 0 AEAERN Cc1nc(CO)oc1-c1ccccc1 257830656 573560673 /nfs/dbraw/zinc/56/06/73/573560673.db2.gz JAOSWDBEDYZNLE-UHFFFAOYSA-N 0 0 189.214 2.142 10 0 AEAERN NCC(F)(F)[C@@H](F)c1ccccc1 257830667 573560696 /nfs/dbraw/zinc/56/06/96/573560696.db2.gz JAUJONVJSGWJPZ-QMMMGPOBSA-N 0 0 189.180 2.291 10 0 AEAERN CC1=C[C@H](C)CCC(=O)C1 238432987 573565367 /nfs/dbraw/zinc/56/53/67/573565367.db2.gz MXUYUXDVAHSTJB-SSDOTTSWSA-N 0 0 138.210 2.322 10 0 AEAERN COC(=O)[C@@](C)(F)c1cccs1 257831573 573565374 /nfs/dbraw/zinc/56/53/74/573565374.db2.gz JLWVDSFOJJBSHG-QMMMGPOBSA-N 0 0 188.223 2.106 10 0 AEAERN Nc1ccccc1NCc1ccc[nH]1 258782360 573565422 /nfs/dbraw/zinc/56/54/22/573565422.db2.gz LLNNXOWETFKFSZ-UHFFFAOYSA-N 0 0 187.246 2.209 10 0 AEAERN C[C@@H](C(N)=O)[C@H](C)C1CCCCC1 238432942 573565477 /nfs/dbraw/zinc/56/54/77/573565477.db2.gz IWEIJLCKGDTHNS-DTWKUNHWSA-N 0 0 183.295 2.324 10 0 AEAERN CC(C)=CC/C=C/[C@H](C)O 238432567 573565485 /nfs/dbraw/zinc/56/54/85/573565485.db2.gz UBHOJYVRRMDVLX-IWGCBNPKSA-N 0 0 140.226 2.280 10 0 AEAERN C=CC=C(Cl)Cl 95831835 573565528 /nfs/dbraw/zinc/56/55/28/573565528.db2.gz PDKAXHLOFWCWIH-UHFFFAOYSA-N 0 0 122.982 2.491 10 0 AEAERN COC(=O)[C@](C)(F)c1cccs1 257831571 573565566 /nfs/dbraw/zinc/56/55/66/573565566.db2.gz JLWVDSFOJJBSHG-MRVPVSSYSA-N 0 0 188.223 2.106 10 0 AEAERN C[C@@H]1SCc2ccccc2NC1=O 238432986 573565660 /nfs/dbraw/zinc/56/56/60/573565660.db2.gz RULMBPUDPVKTFH-ZETCQYMHSA-N 0 0 193.271 2.260 10 0 AEAERN C[C@H](O)/C=C/C1=CCCC1 238432294 573565711 /nfs/dbraw/zinc/56/57/11/573565711.db2.gz OQMIUJOZMAFJMU-CZEYKFRCSA-N 0 0 138.210 2.034 10 0 AEAERN CNCC(F)(F)Cc1ccc(C)cc1 257831658 573565723 /nfs/dbraw/zinc/56/57/23/573565723.db2.gz HODGBWQWNAGTJA-UHFFFAOYSA-N 0 0 199.244 2.392 10 0 AEAERN O=Cc1conc1-c1ccc(F)cc1 75420903 573565733 /nfs/dbraw/zinc/56/57/33/573565733.db2.gz CIFUKZPSASHKPV-UHFFFAOYSA-N 0 0 191.161 2.293 10 0 AEAERN C[C@H](CO)C[C@@H]1C=CCCC1 238432279 573565775 /nfs/dbraw/zinc/56/57/75/573565775.db2.gz NNTXDYVXYJZGRI-VHSXEESVSA-N 0 0 154.253 2.361 10 0 AEAERN CCc1cc2c(o1)C(=O)[C@@H](C)C2 107401548 573565792 /nfs/dbraw/zinc/56/57/92/573565792.db2.gz VBNYHRJLLDOVPV-LURJTMIESA-N 0 0 164.204 2.217 10 0 AEAERN Cc1cc(C[C@H](C)CO)c(C)cc1O 238432471 573565802 /nfs/dbraw/zinc/56/58/02/573565802.db2.gz SUFVUYOYVQTPAC-QMMMGPOBSA-N 0 0 194.274 2.180 10 0 AEAERN Cc1c(N)cnc2c(C)cccc12 257831088 573565863 /nfs/dbraw/zinc/56/58/63/573565863.db2.gz JLTWETNURBZXMY-UHFFFAOYSA-N 0 0 172.231 2.434 10 0 AEAERN Cc1cccc(-c2nocc2C=O)c1 75420898 573565871 /nfs/dbraw/zinc/56/58/71/573565871.db2.gz WYCSDWLVPXRUNR-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN FC(F)(F)CN[C@H]1CC[C@@H]1C1CC1 393536830 573565901 /nfs/dbraw/zinc/56/59/01/573565901.db2.gz GYLPJFWLUCQVJS-SFYZADRCSA-N 0 0 193.212 2.327 10 0 AEAERN Nc1cc(NCCC2CCC2)sn1 236357689 573565910 /nfs/dbraw/zinc/56/59/10/573565910.db2.gz JLLGQFKRKXLPAF-UHFFFAOYSA-N 0 0 197.307 2.327 10 0 AEAERN Nc1cccc([C@H](O)CC2CC2)c1 236355813 573565919 /nfs/dbraw/zinc/56/59/19/573565919.db2.gz NRANSZAFMCUNMU-LLVKDONJSA-N 0 0 177.247 2.102 10 0 AEAERN C[C@H](CO)[C@H]1CCc2ccc(F)cc21 257831522 573565948 /nfs/dbraw/zinc/56/59/48/573565948.db2.gz JKZKXXRDBIACAK-LDYMZIIASA-N 0 0 194.249 2.484 10 0 AEAERN Cc1nc(Cl)nc2ccoc12 145222390 573565990 /nfs/dbraw/zinc/56/59/90/573565990.db2.gz PNWHZUNSUHJFFA-UHFFFAOYSA-N 0 0 168.583 2.185 10 0 AEAERN Cc1cccc([C@H]2CC(C=O)=NO2)c1 257831217 573566002 /nfs/dbraw/zinc/56/60/02/573566002.db2.gz JHUGBOWSVAOHRN-LLVKDONJSA-N 0 0 189.214 2.011 10 0 AEAERN CC[C@@H]([C@H](O)c1ccccc1)[C@@H](C)O 308624390 573568393 /nfs/dbraw/zinc/56/83/93/573568393.db2.gz JHRJNLCQKJWGEC-YUSALJHKSA-N 0 0 194.274 2.127 10 0 AEAERN COc1c(N)ccc2sccc12 75427973 573568394 /nfs/dbraw/zinc/56/83/94/573568394.db2.gz ABLSVETWGQQSLU-UHFFFAOYSA-N 0 0 179.244 2.492 10 0 AEAERN C[C@@H](O)c1cccc2c1SCC2 258064397 573568400 /nfs/dbraw/zinc/56/84/00/573568400.db2.gz SZUZOYVKQRLAPX-SSDOTTSWSA-N 0 0 180.272 2.388 10 0 AEAERN C[C@H]1Cc2cccc(C=O)c2[C@H](O)C1 238432513 573568429 /nfs/dbraw/zinc/56/84/29/573568429.db2.gz YNMZUBVEHLRUAN-GZMMTYOYSA-N 0 0 190.242 2.115 10 0 AEAERN C/C(CCO)=C1/CC/C1=C(/C)CCO 308624936 573568431 /nfs/dbraw/zinc/56/84/31/573568431.db2.gz JZVOHAPUERGBMS-WGDLNXRISA-N 0 0 196.290 2.178 10 0 AEAERN O=Cc1ccc(Cc2cccnc2)o1 75424846 573568438 /nfs/dbraw/zinc/56/84/38/573568438.db2.gz KGCCJIKFFPHZJV-UHFFFAOYSA-N 0 0 187.198 2.078 10 0 AEAERN O=Cc1cc2ccoc2cc1F 75427998 573568455 /nfs/dbraw/zinc/56/84/55/573568455.db2.gz ILEYDNZCKAFZPF-UHFFFAOYSA-N 0 0 164.135 2.384 10 0 AEAERN C[NH2+][C@]1(CC(=O)[O-])CCCC(C)(C)C1 83611490 573568466 /nfs/dbraw/zinc/56/84/66/573568466.db2.gz NNCPARCYBPCAJL-NSHDSACASA-N 0 0 199.294 2.020 10 0 AEAERN CC(C)Cc1c(Cl)noc1N 257831977 573568494 /nfs/dbraw/zinc/56/84/94/573568494.db2.gz JWSPNEKCEVYOAV-UHFFFAOYSA-N 0 0 174.631 2.109 10 0 AEAERN Nc1ccc2onc(C3CC3)c2c1 257831884 573568658 /nfs/dbraw/zinc/56/86/58/573568658.db2.gz JUFSZVRRMFBLFT-UHFFFAOYSA-N 0 0 174.203 2.287 10 0 AEAERN FC(F)(F)CN[C@H]1CC[C@H]1C1CC1 393536831 573568663 /nfs/dbraw/zinc/56/86/63/573568663.db2.gz GYLPJFWLUCQVJS-YUMQZZPRSA-N 0 0 193.212 2.327 10 0 AEAERN CC(=O)C[C@H](C)c1ccncc1 107401301 573568773 /nfs/dbraw/zinc/56/87/73/573568773.db2.gz FAWARXCKSNLMFN-QMMMGPOBSA-N 0 0 163.220 2.164 10 0 AEAERN OC[C@H](F)c1ccc(O)cc1Cl 257832034 573568867 /nfs/dbraw/zinc/56/88/67/573568867.db2.gz KGPRDVBAWYANJZ-QMMMGPOBSA-N 0 0 190.601 2.049 10 0 AEAERN COC(=O)C(F)(F)CC1CCCC1 257831996 573568945 /nfs/dbraw/zinc/56/89/45/573568945.db2.gz JQRWYDUMYRQUNN-UHFFFAOYSA-N 0 0 192.205 2.375 10 0 AEAERN CCCc1c(C=O)cnn1C(C)(C)C 257831942 573568964 /nfs/dbraw/zinc/56/89/64/573568964.db2.gz JPSZFUKEMFDLKB-UHFFFAOYSA-N 0 0 194.278 2.403 10 0 AEAERN CC(C)(O)C(C)(C)c1ccc(N)cc1 258064463 573568967 /nfs/dbraw/zinc/56/89/67/573568967.db2.gz TUGCARFCMNCBIL-UHFFFAOYSA-N 0 0 193.290 2.317 10 0 AEAERN Cc1ccc(-c2ccno2)o1 83617993 573568971 /nfs/dbraw/zinc/56/89/71/573568971.db2.gz HRNBULUAMCWAQA-UHFFFAOYSA-N 0 0 149.149 2.243 10 0 AEAERN C[NH2+][C@@]1(CC(=O)[O-])CCCC(C)(C)C1 83611492 573569033 /nfs/dbraw/zinc/56/90/33/573569033.db2.gz NNCPARCYBPCAJL-LLVKDONJSA-N 0 0 199.294 2.020 10 0 AEAERN CC(=O)C/C=C(\C)[C@H](O)c1ccco1 308625341 573569808 /nfs/dbraw/zinc/56/98/08/573569808.db2.gz KMKIYAZHJBZPFC-BWNDKRECSA-N 0 0 194.230 2.238 10 0 AEAERN C[NH2+][C@]1(CC(=O)[O-])CCC[C@@H](C)CC1 83611865 573569819 /nfs/dbraw/zinc/56/98/19/573569819.db2.gz DDPBXOYJMURTTO-MWLCHTKSSA-N 0 0 199.294 2.020 10 0 AEAERN C[NH2+][C@]1(CC(=O)[O-])CCC[C@H](C)CC1 83611867 573569846 /nfs/dbraw/zinc/56/98/46/573569846.db2.gz DDPBXOYJMURTTO-GXSJLCMTSA-N 0 0 199.294 2.020 10 0 AEAERN Cc1ccc(C(F)(F)[C@@H]2CCN2)cc1 257831891 573569848 /nfs/dbraw/zinc/56/98/48/573569848.db2.gz JOUHPDBKUOVVOR-JTQLQIEISA-N 0 0 197.228 2.449 10 0 AEAERN Cc1nc(CCO)sc1C(C)C 258779662 573569923 /nfs/dbraw/zinc/56/99/23/573569923.db2.gz LWVUURKZDYTOBC-UHFFFAOYSA-N 0 0 185.292 2.110 10 0 AEAERN COC(=O)[C@@]1(C)CC12CCCC2 259515081 573569955 /nfs/dbraw/zinc/56/99/55/573569955.db2.gz CJVZYVMCTVWHKX-SECBINFHSA-N 0 0 168.236 2.130 10 0 AEAERN CC(C)CC(=O)c1ccc(N)o1 75424681 573569959 /nfs/dbraw/zinc/56/99/59/573569959.db2.gz MJLXZKPEWIKOMY-UHFFFAOYSA-N 0 0 167.208 2.091 10 0 AEAERN Cc1c(NN)sc2ccccc12 259514178 573569979 /nfs/dbraw/zinc/56/99/79/573569979.db2.gz PEPAHDITMKCTDC-UHFFFAOYSA-N 0 0 178.260 2.495 10 0 AEAERN Cc1ccc(C2(O)CCCC2)c(O)c1 259515480 573569989 /nfs/dbraw/zinc/56/99/89/573569989.db2.gz SEPJSIHDKBWLRW-UHFFFAOYSA-N 0 0 192.258 2.462 10 0 AEAERN FC1(F)CNCC[C@H]1C1CCCC1 257832047 573570075 /nfs/dbraw/zinc/57/00/75/573570075.db2.gz KHXXMDDPPMUPBL-VIFPVBQESA-N 0 0 189.249 2.421 10 0 AEAERN CC1=CC[C@]2(CC1)O[C@@H](O)C[C@@H]2C 238444342 573570147 /nfs/dbraw/zinc/57/01/47/573570147.db2.gz RDKASBZTNRMJGL-HBNTYKKESA-N 0 0 182.263 2.230 10 0 AEAERN CCC1([C@@H](O)Cc2ccncc2)CC1 308633155 573570148 /nfs/dbraw/zinc/57/01/48/573570148.db2.gz ZVGQJYSRTOQWCH-NSHDSACASA-N 0 0 191.274 2.175 10 0 AEAERN C[NH2+][C@H](C)c1coc(C(C)(C)C)n1 258062808 573570180 /nfs/dbraw/zinc/57/01/80/573570180.db2.gz LLTFLOYHDYKRNX-SSDOTTSWSA-N 0 0 182.267 2.253 10 0 AEAERN C[C@H]1CCC(=O)c2cc(O)ccc2N1 257832019 573570202 /nfs/dbraw/zinc/57/02/02/573570202.db2.gz JRFFFMUAIHRXJL-ZETCQYMHSA-N 0 0 191.230 2.169 10 0 AEAERN Cc1cc(C[C@@H](C)[C@@H](C)O)cc(C)n1 238444144 573570320 /nfs/dbraw/zinc/57/03/20/573570320.db2.gz CWQSXSJVQLOSHN-LDYMZIIASA-N 0 0 193.290 2.258 10 0 AEAERN C[C@H]1CC[C@H](O)C2=C1CCC2 238444172 573570368 /nfs/dbraw/zinc/57/03/68/573570368.db2.gz DXDGAVJYXBYITQ-XVKPBYJWSA-N 0 0 152.237 2.258 10 0 AEAERN Cc1ccc(C(F)(F)[C@H]2CCN2)cc1 257831893 573570394 /nfs/dbraw/zinc/57/03/94/573570394.db2.gz JOUHPDBKUOVVOR-SNVBAGLBSA-N 0 0 197.228 2.449 10 0 AEAERN Cc1ccc(CNC(=O)S)c(C)c1 258778468 573570404 /nfs/dbraw/zinc/57/04/04/573570404.db2.gz YELOVQZJVJZSKL-UHFFFAOYSA-N 0 0 195.287 2.443 10 0 AEAERN Cc1oc(C=O)nc1C1CCC1 257832624 573573882 /nfs/dbraw/zinc/57/38/82/573573882.db2.gz ACDPTRIMTWETHR-UHFFFAOYSA-N 0 0 165.192 2.063 10 0 AEAERN C/C(=C/c1cc(C)c(O)c(C)c1)CO 211920453 573573343 /nfs/dbraw/zinc/57/33/43/573573343.db2.gz RQRSLGIKNATPKF-YWEYNIOJSA-N 0 0 192.258 2.405 10 0 AEAERN Nc1ccc([C@@H](O)CC2CCC2)cc1 236365077 573573351 /nfs/dbraw/zinc/57/33/51/573573351.db2.gz DFSFOZRINHSXJL-LBPRGKRZSA-N 0 0 191.274 2.492 10 0 AEAERN CC(=O)[C@@H]1[C@H](C)CC[C@@H](O)C1(C)C 238444285 573573387 /nfs/dbraw/zinc/57/33/87/573573387.db2.gz YMUHULQRWFFLCC-QNSHHTMESA-N 0 0 184.279 2.009 10 0 AEAERN CC(C)COc1ccc2c(n1)CCN2 257832426 573573397 /nfs/dbraw/zinc/57/33/97/573573397.db2.gz JSWMCKBWEHEHLA-UHFFFAOYSA-N 0 0 192.262 2.084 10 0 AEAERN Cc1cc(C2CCC2)nc(C)n1 259113843 573573416 /nfs/dbraw/zinc/57/34/16/573573416.db2.gz OXBAOWYBUJJZOC-UHFFFAOYSA-N 0 0 162.236 2.361 10 0 AEAERN CC[C@@H](O)C[C@H](C)OCC(C)C 238272218 573573465 /nfs/dbraw/zinc/57/34/65/573573465.db2.gz UGNJZMJPDAMYPL-VHSXEESVSA-N 0 0 174.284 2.209 10 0 AEAERN C[C@H](OC(=O)C(C)(C)C)C(F)F 220815947 573573487 /nfs/dbraw/zinc/57/34/87/573573487.db2.gz NMYKZTDOENCIOJ-YFKPBYRVSA-N 0 0 180.194 2.229 10 0 AEAERN FC(F)(F)c1cnc2cnccc2n1 197400504 573573500 /nfs/dbraw/zinc/57/35/00/573573500.db2.gz YNTPDLSJODAAMD-UHFFFAOYSA-N 0 0 199.135 2.044 10 0 AEAERN Cc1cc(N)ccc1N1CC(C)(C)C1 86687307 573573554 /nfs/dbraw/zinc/57/35/54/573573554.db2.gz LLHOOUGYTONHLI-UHFFFAOYSA-N 0 0 190.290 2.423 10 0 AEAERN C[C@@H]1C[C@@H]1[C@@H](O)CCCCF 393537540 573573562 /nfs/dbraw/zinc/57/35/62/573573562.db2.gz LQTVQAGUUPJDPQ-VGMNWLOBSA-N 0 0 160.232 2.143 10 0 AEAERN CC[C@H](C(=O)[O-])[N@@H+]1CCCCC[C@@H]1C 78672162 573573567 /nfs/dbraw/zinc/57/35/67/573573567.db2.gz IOKHMAUQUKCXKY-VHSXEESVSA-N 0 0 199.294 2.114 10 0 AEAERN Cc1ccc(N2CC(C)(C)C2)cc1N 86687715 573573602 /nfs/dbraw/zinc/57/36/02/573573602.db2.gz PGWDCLKFOXNGRS-UHFFFAOYSA-N 0 0 190.290 2.423 10 0 AEAERN Cc1ccc(N)c(C)c1N1CC[C@@H]1C 86687767 573573616 /nfs/dbraw/zinc/57/36/16/573573616.db2.gz LOHXGAJZOUECIE-VIFPVBQESA-N 0 0 190.290 2.484 10 0 AEAERN Cc1ccc(N)cc1N1CC(C)(C)C1 86687627 573573647 /nfs/dbraw/zinc/57/36/47/573573647.db2.gz NXARGOCXJBEGOH-UHFFFAOYSA-N 0 0 190.290 2.423 10 0 AEAERN CC[C@H]1C=C(CCC(C)=O)OC1 238272384 573573726 /nfs/dbraw/zinc/57/37/26/573573726.db2.gz UQIUNRUSCJRUEZ-VIFPVBQESA-N 0 0 168.236 2.296 10 0 AEAERN CCC1CN(c2cc(N)ccc2C)C1 86687623 573573765 /nfs/dbraw/zinc/57/37/65/573573765.db2.gz CPAMIANLBNKGOR-UHFFFAOYSA-N 0 0 190.290 2.423 10 0 AEAERN CCC1CN(c2cccc(N)c2)C1 86687473 573573776 /nfs/dbraw/zinc/57/37/76/573573776.db2.gz YJQWOWHLWKNSIU-UHFFFAOYSA-N 0 0 176.263 2.115 10 0 AEAERN CC1CN(c2ccc(Cl)c(N)c2)C1 86687375 573573779 /nfs/dbraw/zinc/57/37/79/573573779.db2.gz BEHJHVNJMUZBBL-UHFFFAOYSA-N 0 0 196.681 2.378 10 0 AEAERN C[C@@H]1CCN1c1ccc(F)cc1N 86687540 573573786 /nfs/dbraw/zinc/57/37/86/573573786.db2.gz BCFJZBHUQHSRBF-SSDOTTSWSA-N 0 0 180.226 2.007 10 0 AEAERN CC[C@@H](C)[C@@H](NC)C(F)(F)F 78678358 573576954 /nfs/dbraw/zinc/57/69/54/573576954.db2.gz UQZBQYCPIPLQDO-PHDIDXHHSA-N 0 0 169.190 2.183 10 0 AEAERN CCn1c(=O)[nH]c2ccc(Cl)cc21 95924266 573576962 /nfs/dbraw/zinc/57/69/62/573576962.db2.gz PQQNNUKINGANNM-UHFFFAOYSA-N 0 0 196.637 2.003 10 0 AEAERN CC(C)(C)[C@H](O)c1ccc(F)cn1 86705072 573576986 /nfs/dbraw/zinc/57/69/86/573576986.db2.gz XUCWNQHVNJNRFH-SECBINFHSA-N 0 0 183.226 2.300 10 0 AEAERN Cc1ccc(C)c(C(=O)CN)c1Cl 214918405 573576997 /nfs/dbraw/zinc/57/69/97/573576997.db2.gz NIAZUALNPJXLEX-UHFFFAOYSA-N 0 0 197.665 2.098 10 0 AEAERN OC/C=C\Cn1ccc2ccccc21 308637125 573577022 /nfs/dbraw/zinc/57/70/22/573577022.db2.gz ZTIPSIAGBKMPEK-ARJAWSKDSA-N 0 0 187.242 2.190 10 0 AEAERN Cc1cc(C2N=NC(=O)O2)sc1C 83632077 573577023 /nfs/dbraw/zinc/57/70/23/573577023.db2.gz CEKFZZMUBSSRRH-UHFFFAOYSA-N 0 0 196.231 2.121 10 0 AEAERN O[C@H]1Cc2c1cccc2C(F)(F)F 257833068 573577032 /nfs/dbraw/zinc/57/70/32/573577032.db2.gz JZQYZSVOMMSJNB-QMMMGPOBSA-N 0 0 188.148 2.295 10 0 AEAERN C[C@H]1CC[C@@H](O)c2ccccc2N1 238445789 573577096 /nfs/dbraw/zinc/57/70/96/573577096.db2.gz GNQFSWOVCXPWTK-GZMMTYOYSA-N 0 0 177.247 2.314 10 0 AEAERN O[C@H](CC1CCC1)c1ccc(F)cn1 86704974 573577101 /nfs/dbraw/zinc/57/71/01/573577101.db2.gz PRXCBCWFBQUZNY-LLVKDONJSA-N 0 0 195.237 2.444 10 0 AEAERN CO[C@H](C)[C@@H](O)c1cc(C)cc(F)c1 86693224 573577112 /nfs/dbraw/zinc/57/71/12/573577112.db2.gz QFOKVNBEADEQGM-LDYMZIIASA-N 0 0 198.237 2.202 10 0 AEAERN Cc1cc(F)cc(C[C@@H](C)CO)c1 86694185 573577150 /nfs/dbraw/zinc/57/71/50/573577150.db2.gz RYNPHGQBIWNSLB-SECBINFHSA-N 0 0 182.238 2.305 10 0 AEAERN C[C@H]1C=CC[C@@H]1NC(=O)OC(C)(C)C 238444598 573577234 /nfs/dbraw/zinc/57/72/34/573577234.db2.gz ZSDGAFLNSMWADX-IUCAKERBSA-N 0 0 197.278 2.476 10 0 AEAERN C[C@H]1C(=O)CC[C@H]1c1ccc(O)cc1 238444472 573577301 /nfs/dbraw/zinc/57/73/01/573577301.db2.gz SUGLHVNNKKDINR-LDYMZIIASA-N 0 0 190.242 2.475 10 0 AEAERN Nc1cc(-c2cccc(F)c2)c[nH]1 258065069 573577412 /nfs/dbraw/zinc/57/74/12/573577412.db2.gz GSYMUFRVVJTWIE-UHFFFAOYSA-N 0 0 176.194 2.403 10 0 AEAERN C[C@@H]1CCCC(C)(C)CC(=O)N1 238445008 573577416 /nfs/dbraw/zinc/57/74/16/573577416.db2.gz QNFQOYRYDADFPO-MRVPVSSYSA-N 0 0 169.268 2.091 10 0 AEAERN Cc1ccc(N(C)[C@@H](CO)C(C)C)o1 258792103 573577423 /nfs/dbraw/zinc/57/74/23/573577423.db2.gz JJSLTZRFNIIQRF-JTQLQIEISA-N 0 0 197.278 2.041 10 0 AEAERN Nc1ccc(-c2ccoc2)c(N)c1 145287769 573577442 /nfs/dbraw/zinc/57/74/42/573577442.db2.gz URAZMARKIMTZOY-UHFFFAOYSA-N 0 0 174.203 2.111 10 0 AEAERN CC/C=C(\C)c1nc(CCO)c(C)o1 308636008 573577489 /nfs/dbraw/zinc/57/74/89/573577489.db2.gz YXJSGJSISCNCHV-VMPITWQZSA-N 0 0 195.262 2.331 10 0 AEAERN COc1ccc2c(c1)[C@@H]1C[C@@H]1CN2 257832999 573577532 /nfs/dbraw/zinc/57/75/32/573577532.db2.gz KGRKXMHPBWXLGT-VXNVDRBHSA-N 0 0 175.231 2.224 10 0 AEAERN COc1nnc(C2CC2)cc1Cl 259517239 573577539 /nfs/dbraw/zinc/57/75/39/573577539.db2.gz SFUKFHQYRSOSOL-UHFFFAOYSA-N 0 0 184.626 2.016 10 0 AEAERN C[C@@H]1CCCC(C)(C)C[C@@H]1NC(N)=O 238445109 573577548 /nfs/dbraw/zinc/57/75/48/573577548.db2.gz VNGCGFZQLXHSMK-BDAKNGLRSA-N 0 0 198.310 2.260 10 0 AEAERN O=C(c1ccc(F)cn1)c1ccco1 86704498 573577554 /nfs/dbraw/zinc/57/75/54/573577554.db2.gz VEWDHHGRKMDLDE-UHFFFAOYSA-N 0 0 191.161 2.045 10 0 AEAERN O[C@H]1C=CC2(CCCC2)CC1 145296101 573577620 /nfs/dbraw/zinc/57/76/20/573577620.db2.gz SOODLYWOXKVZFT-VIFPVBQESA-N 0 0 152.237 2.258 10 0 AEAERN C[C@@H]1CCC[C@H]1Nc1ncns1 83668787 573584228 /nfs/dbraw/zinc/58/42/28/573584228.db2.gz GNPAYIFDOKUSIE-RNFRBKRXSA-N 0 0 183.280 2.139 10 0 AEAERN CCOC(=O)c1onc(C2CC2)c1C 259516344 573584366 /nfs/dbraw/zinc/58/43/66/573584366.db2.gz WWBINOYSKVIQHO-UHFFFAOYSA-N 0 0 195.218 2.037 10 0 AEAERN CC(C)SCc1cocn1 258066129 573584388 /nfs/dbraw/zinc/58/43/88/573584388.db2.gz GNNQNXSMGAULAY-UHFFFAOYSA-N 0 0 157.238 2.316 10 0 AEAERN COC1(c2cccc(Cl)c2)COC1 258803294 573583639 /nfs/dbraw/zinc/58/36/39/573583639.db2.gz WYJOBCJEGRNLNU-UHFFFAOYSA-N 0 0 198.649 2.212 10 0 AEAERN COCc1ccc2c(c1)C(=O)[C@H](C)C2 86718048 573583650 /nfs/dbraw/zinc/58/36/50/573583650.db2.gz JUKRMEYWLVXRHQ-MRVPVSSYSA-N 0 0 190.242 2.208 10 0 AEAERN CC(C)CCNc1cnccc1CO 308638543 573583669 /nfs/dbraw/zinc/58/36/69/573583669.db2.gz DDUKWGUQISRBCS-UHFFFAOYSA-N 0 0 194.278 2.032 10 0 AEAERN OCC[C@H]1CSc2cccc(F)c21 258066291 573583744 /nfs/dbraw/zinc/58/37/44/573583744.db2.gz LZWCTMGKKKMDQH-ZETCQYMHSA-N 0 0 198.262 2.397 10 0 AEAERN COc1[nH]c2ccccc2c1C(C)=O 238442316 573583797 /nfs/dbraw/zinc/58/37/97/573583797.db2.gz YWKPJVRSGHFVNO-UHFFFAOYSA-N 0 0 189.214 2.379 10 0 AEAERN CCCCOc1ccc(C(C)=O)cn1 124697973 573583885 /nfs/dbraw/zinc/58/38/85/573583885.db2.gz VGNNYTFNVNNXIA-UHFFFAOYSA-N 0 0 193.246 2.463 10 0 AEAERN C[C@@H](CC1CC1)Nc1ncns1 83669074 573583901 /nfs/dbraw/zinc/58/39/01/573583901.db2.gz LZJAFKQDJWGTSP-LURJTMIESA-N 0 0 183.280 2.139 10 0 AEAERN C/C=C/C[C@@H](O)CCC 78699265 573583951 /nfs/dbraw/zinc/58/39/51/573583951.db2.gz KCDSGKHMSVPTOK-WGAJWPLOSA-N 0 0 128.215 2.114 10 0 AEAERN COCc1cccc2c1C[C@H](C)C2=O 86717993 573583969 /nfs/dbraw/zinc/58/39/69/573583969.db2.gz YQWRYNTWLBKRFB-QMMMGPOBSA-N 0 0 190.242 2.208 10 0 AEAERN CC(=O)c1cc2cnc(C)nc2s1 75468868 573584023 /nfs/dbraw/zinc/58/40/23/573584023.db2.gz USVBPQHZOTUVIY-UHFFFAOYSA-N 0 0 192.243 2.202 10 0 AEAERN C[C@H](O)[Si](C)(C1CC1)C1CC1 198326817 573584053 /nfs/dbraw/zinc/58/40/53/573584053.db2.gz KOEGLMGHJAFFBX-SSDOTTSWSA-N 0 0 170.328 2.313 10 0 AEAERN CC[C@@H](C)Cn1ccc(C(C)=O)n1 308402969 573584104 /nfs/dbraw/zinc/58/41/04/573584104.db2.gz JSFNVDNJDHPGAH-MRVPVSSYSA-N 0 0 180.251 2.132 10 0 AEAERN CCC(=O)c1cc2cncnc2s1 75468794 573584155 /nfs/dbraw/zinc/58/41/55/573584155.db2.gz WDEDRGAEUYUQCQ-UHFFFAOYSA-N 0 0 192.243 2.284 10 0 AEAERN C[C@H](O)Nc1ccc(Cl)cc1 78701246 573584156 /nfs/dbraw/zinc/58/41/56/573584156.db2.gz FXXHUARBBMRFDM-LURJTMIESA-N 0 0 171.627 2.090 10 0 AEAERN CC[C@@H](C)[C@@H](C)Nc1ncns1 83654251 573584177 /nfs/dbraw/zinc/58/41/77/573584177.db2.gz HRITXENIYUIVJA-RNFRBKRXSA-N 0 0 185.296 2.385 10 0 AEAERN Oc1ccccc1Oc1ncns1 83671282 573585790 /nfs/dbraw/zinc/58/57/90/573585790.db2.gz QFTDSGTXYYMGMS-UHFFFAOYSA-N 0 0 194.215 2.036 10 0 AEAERN Nc1csc(C(=O)C(F)(F)F)c1 75468161 573585846 /nfs/dbraw/zinc/58/58/46/573585846.db2.gz VABJWWNZBPATDS-UHFFFAOYSA-N 0 0 195.165 2.075 10 0 AEAERN Oc1ccc(Oc2ncns2)cc1 83671271 573586033 /nfs/dbraw/zinc/58/60/33/573586033.db2.gz AGSBMWYTIBGGPE-UHFFFAOYSA-N 0 0 194.215 2.036 10 0 AEAERN C[C@@H]1C(=O)CC[C@H]2CCC[C@H]12 238442309 573586047 /nfs/dbraw/zinc/58/60/47/573586047.db2.gz GXQYTVTYNDPNLK-DJLDLDEBSA-N 0 0 152.237 2.402 10 0 AEAERN CC(=O)c1ccc(OC(C)(C)C)nc1 124695698 573586054 /nfs/dbraw/zinc/58/60/54/573586054.db2.gz CUZBLBFBDZOWCX-UHFFFAOYSA-N 0 0 193.246 2.462 10 0 AEAERN C[C@H]1CCC[C@@H]1Nc1ncns1 83668785 573586062 /nfs/dbraw/zinc/58/60/62/573586062.db2.gz GNPAYIFDOKUSIE-BQBZGAKWSA-N 0 0 183.280 2.139 10 0 AEAERN Cc1[nH]c2c(O)ccc(C=O)c2c1C 82391064 573586067 /nfs/dbraw/zinc/58/60/67/573586067.db2.gz PISWCGFFXRIWEE-UHFFFAOYSA-N 0 0 189.214 2.303 10 0 AEAERN C/C(=C\CO)COCc1ccccc1 36448486 573586069 /nfs/dbraw/zinc/58/60/69/573586069.db2.gz XMVUEHYAOORWLV-YRNVUSSQSA-N 0 0 192.258 2.142 10 0 AEAERN O=C(S)NC1CCCCCC1 258804799 573586135 /nfs/dbraw/zinc/58/61/35/573586135.db2.gz SXQLECPXIVTMBM-UHFFFAOYSA-N 0 0 173.281 2.349 10 0 AEAERN CCOC(=O)[C@@H]1[C@@H](C)[C@@H]1CC(C)C 259516339 573586137 /nfs/dbraw/zinc/58/61/37/573586137.db2.gz CPAROFUJCYOXFI-LPEHRKFASA-N 0 0 184.279 2.478 10 0 AEAERN CC1=C[C@@H]2C(=O)CC[C@@H]2[C@@H]1C 238442002 573586166 /nfs/dbraw/zinc/58/61/66/573586166.db2.gz XFVGAHFPNCEDEJ-HLTSFMKQSA-N 0 0 150.221 2.178 10 0 AEAERN C[C@@H]1CCC=C([C@@H](C)O)C1 238442196 573586276 /nfs/dbraw/zinc/58/62/76/573586276.db2.gz GZEBCZJEFXSAHK-HTQZYQBOSA-N 0 0 140.226 2.114 10 0 AEAERN C[C@@H]1C(=O)CC[C@@H]2CCC[C@@H]21 238442468 573586287 /nfs/dbraw/zinc/58/62/87/573586287.db2.gz GXQYTVTYNDPNLK-XHNCKOQMSA-N 0 0 152.237 2.402 10 0 AEAERN CC[C@H](C)[C@](C)(O)[C@@H]1CCCOC1 224951335 573586317 /nfs/dbraw/zinc/58/63/17/573586317.db2.gz RBIBZCFEBJGOOD-AXFHLTTASA-N 0 0 186.295 2.210 10 0 AEAERN CC[C@@H](Nc1ncns1)C(C)C 83654425 573586365 /nfs/dbraw/zinc/58/63/65/573586365.db2.gz GBBPJHJAIYXXBV-SSDOTTSWSA-N 0 0 185.296 2.385 10 0 AEAERN CC[C@H](C)[C@@H](C)Nc1ncns1 83654253 573586423 /nfs/dbraw/zinc/58/64/23/573586423.db2.gz HRITXENIYUIVJA-NKWVEPMBSA-N 0 0 185.296 2.385 10 0 AEAERN CCC(=O)[C@@H](O)c1ccc(Cl)cc1 258800839 573587276 /nfs/dbraw/zinc/58/72/76/573587276.db2.gz NGCVLIHCURCYGH-JTQLQIEISA-N 0 0 198.649 2.353 10 0 AEAERN COCc1cccc2c1C[C@@H](C)C2=O 86717991 573587331 /nfs/dbraw/zinc/58/73/31/573587331.db2.gz YQWRYNTWLBKRFB-MRVPVSSYSA-N 0 0 190.242 2.208 10 0 AEAERN CCOC(=O)/C=C1/CCC[C@@H](OC)C1 308631612 573587346 /nfs/dbraw/zinc/58/73/46/573587346.db2.gz VADUSIUWSCLVCS-HSTULFTRSA-N 0 0 198.262 2.065 10 0 AEAERN CCc1occ(C=O)c1SC 75482424 573587354 /nfs/dbraw/zinc/58/73/54/573587354.db2.gz MQKPQNBZDWNQKA-UHFFFAOYSA-N 0 0 170.233 2.376 10 0 AEAERN COCc1cc(F)c(OC)cc1F 259519810 573587380 /nfs/dbraw/zinc/58/73/80/573587380.db2.gz VSNKQQKIZVVXAY-UHFFFAOYSA-N 0 0 188.173 2.120 10 0 AEAERN C[C@@H]1CC[C@H](Nc2ncns2)[C@@H]1C 83669554 573587451 /nfs/dbraw/zinc/58/74/51/573587451.db2.gz UCIRCPIAPTWCGO-PRJMDXOYSA-N 0 0 197.307 2.385 10 0 AEAERN CC(C)[C@@H](C)CNc1ncns1 83669396 573587461 /nfs/dbraw/zinc/58/74/61/573587461.db2.gz OABNNTLNZYNERT-ZETCQYMHSA-N 0 0 185.296 2.242 10 0 AEAERN CSc1cc(N)c(C)s1 75490817 573587463 /nfs/dbraw/zinc/58/74/63/573587463.db2.gz USINEOKBTXOYLM-UHFFFAOYSA-N 0 0 159.279 2.361 10 0 AEAERN CC(C)c1ncc(C[C@H](C)O)s1 258408329 573587480 /nfs/dbraw/zinc/58/74/80/573587480.db2.gz CUSZQWZMQDHFDP-ZETCQYMHSA-N 0 0 185.292 2.190 10 0 AEAERN CC(=O)c1nc(C)c(CC(C)C)[nH]1 258800463 573587559 /nfs/dbraw/zinc/58/75/59/573587559.db2.gz WUNWFMROWDFMLJ-UHFFFAOYSA-N 0 0 180.251 2.119 10 0 AEAERN CCOC(=O)[C@@H]1[C@@H](C)[C@H]1CC(C)C 259516336 573587573 /nfs/dbraw/zinc/58/75/73/573587573.db2.gz CPAROFUJCYOXFI-IVZWLZJFSA-N 0 0 184.279 2.478 10 0 AEAERN Cc1cc(Nc2ccc[nH]2)ncc1N 258801942 573587575 /nfs/dbraw/zinc/58/75/75/573587575.db2.gz MGMDABMXFVAPNT-UHFFFAOYSA-N 0 0 188.234 2.044 10 0 AEAERN Cc1ccc(Oc2cn[nH]c2)o1 258804114 573587604 /nfs/dbraw/zinc/58/76/04/573587604.db2.gz YDWLDHSSFKQDNB-UHFFFAOYSA-N 0 0 164.164 2.103 10 0 AEAERN Cc1ccc(CNc2ncns2)o1 83668557 573587608 /nfs/dbraw/zinc/58/76/08/573587608.db2.gz KQJIZDIVZMHBDK-UHFFFAOYSA-N 0 0 195.247 2.052 10 0 AEAERN CCOC[C@@H](O)c1c(C)cccc1C 126559058 573587777 /nfs/dbraw/zinc/58/77/77/573587777.db2.gz HZNLBIGFMAKQFG-LLVKDONJSA-N 0 0 194.274 2.373 10 0 AEAERN CCOC(=O)/C=C1/CCC[C@H](OC)C1 308631613 573587778 /nfs/dbraw/zinc/58/77/78/573587778.db2.gz VADUSIUWSCLVCS-QROTZFDESA-N 0 0 198.262 2.065 10 0 AEAERN Cc1cc(C)c(C(C)(C)O)c(O)c1 258066729 573587788 /nfs/dbraw/zinc/58/77/88/573587788.db2.gz TWADLPVYCSEGDD-UHFFFAOYSA-N 0 0 180.247 2.236 10 0 AEAERN CSc1ccc(C(C)=O)o1 75479358 573587813 /nfs/dbraw/zinc/58/78/13/573587813.db2.gz UBHGZFIQWAMUQC-UHFFFAOYSA-N 0 0 156.206 2.204 10 0 AEAERN CCCC[S@](=O)Cc1ccncc1 308404232 573587824 /nfs/dbraw/zinc/58/78/24/573587824.db2.gz IQFGQGPMABDAFI-ZDUSSCGKSA-N 0 0 197.303 2.130 10 0 AEAERN CC(C)(O)[C@@H]1CNc2ccc(F)cc21 258063934 573587867 /nfs/dbraw/zinc/58/78/67/573587867.db2.gz LXKBXFQMKRQNPD-SECBINFHSA-N 0 0 195.237 2.106 10 0 AEAERN CCCCC/C=C\C1=N[C@@H]1C(=O)OC 215282870 573587883 /nfs/dbraw/zinc/58/78/83/573587883.db2.gz RWDQVIKEEWJCCM-DMEOUFDRSA-N 0 0 195.262 2.119 10 0 AEAERN COc1cnc2cccc(C=O)c2c1 144464337 573587909 /nfs/dbraw/zinc/58/79/09/573587909.db2.gz HOPFINDBXLGBEL-UHFFFAOYSA-N 0 0 187.198 2.056 10 0 AEAERN CC[C@@H](C)[C@H](C)Nc1ncns1 83654255 573587953 /nfs/dbraw/zinc/58/79/53/573587953.db2.gz HRITXENIYUIVJA-RQJHMYQMSA-N 0 0 185.296 2.385 10 0 AEAERN CO[C@@H](C)C1(c2ccccc2O)CC1 259519198 573587971 /nfs/dbraw/zinc/58/79/71/573587971.db2.gz AEQHAMCFJORSGJ-VIFPVBQESA-N 0 0 192.258 2.459 10 0 AEAERN C[C@H]1CCC[C@H]1Nc1ncns1 83668788 573587976 /nfs/dbraw/zinc/58/79/76/573587976.db2.gz GNPAYIFDOKUSIE-NKWVEPMBSA-N 0 0 183.280 2.139 10 0 AEAERN COc1cccc2c1[C@H](C)[C@@H](C)[C@H]2O 86721851 573587982 /nfs/dbraw/zinc/58/79/82/573587982.db2.gz DOXJOQJRZBVHTE-DNSOKLHBSA-N 0 0 192.258 2.482 10 0 AEAERN Oc1ccc2c(C3CC3)noc2c1 257833608 573587996 /nfs/dbraw/zinc/58/79/96/573587996.db2.gz KJIOUMNLEGMZCT-UHFFFAOYSA-N 0 0 175.187 2.411 10 0 AEAERN CCOC(=O)[C@H]1[C@@H](CC(C)C)[C@H]1C 259516338 573587999 /nfs/dbraw/zinc/58/79/99/573587999.db2.gz CPAROFUJCYOXFI-KXUCPTDWSA-N 0 0 184.279 2.478 10 0 AEAERN C[C@H]1Cc2c(F)cc(F)cc2[C@@H]1O 86721845 573588015 /nfs/dbraw/zinc/58/80/15/573588015.db2.gz NJEHZHSEZYPZSY-XUOSJQGZSA-N 0 0 184.185 2.190 10 0 AEAERN O[C@H](C1=COCC1)C(C1CC1)C1CC1 308640919 573588017 /nfs/dbraw/zinc/58/80/17/573588017.db2.gz CZEIAORRVJIUDB-GFCCVEGCSA-N 0 0 194.274 2.088 10 0 AEAERN CC[C@H](C)[C@H](C)Nc1ncns1 83654256 573588018 /nfs/dbraw/zinc/58/80/18/573588018.db2.gz HRITXENIYUIVJA-BQBZGAKWSA-N 0 0 185.296 2.385 10 0 AEAERN Cc1cc(F)cc2c1C[C@@H](C)[C@@H]2O 86721643 573588023 /nfs/dbraw/zinc/58/80/23/573588023.db2.gz SNDOEBFMCLPHND-HQJQHLMTSA-N 0 0 180.222 2.360 10 0 AEAERN c1nsc(NCc2ccsc2)n1 83668764 573588038 /nfs/dbraw/zinc/58/80/38/573588038.db2.gz QJEKHBYHTYOIEN-UHFFFAOYSA-N 0 0 197.288 2.212 10 0 AEAERN CO[C@@H](C)CNc1cccc(N)c1C 223667056 573588072 /nfs/dbraw/zinc/58/80/72/573588072.db2.gz XKOOTZDATZTKHT-QMMMGPOBSA-N 0 0 194.278 2.024 10 0 AEAERN C[C@@H](O)[C@@]1(c2ccccc2)CCCO1 238443138 573588079 /nfs/dbraw/zinc/58/80/79/573588079.db2.gz INOFOEGPKSMCGX-ZYHUDNBSSA-N 0 0 192.258 2.073 10 0 AEAERN COc1cccc2c1[C@H](C)[C@@H](C)[C@@H]2O 86721855 573590366 /nfs/dbraw/zinc/59/03/66/573590366.db2.gz DOXJOQJRZBVHTE-RWYTXXIDSA-N 0 0 192.258 2.482 10 0 AEAERN C[C@H]1Cc2c(F)ccc(F)c2C1=O 86718086 573590373 /nfs/dbraw/zinc/59/03/73/573590373.db2.gz CLYHZDAMFCDYMC-YFKPBYRVSA-N 0 0 182.169 2.340 10 0 AEAERN C[C@@H]1Cc2c(F)ccc(F)c2C1=O 86718084 573590377 /nfs/dbraw/zinc/59/03/77/573590377.db2.gz CLYHZDAMFCDYMC-RXMQYKEDSA-N 0 0 182.169 2.340 10 0 AEAERN CCCSC1(C(=O)OC)CCC1 259116809 573590389 /nfs/dbraw/zinc/59/03/89/573590389.db2.gz BJPYVUCNMBJTKP-UHFFFAOYSA-N 0 0 188.292 2.225 10 0 AEAERN C[C@@H]1Cc2c(ccc(F)c2F)C1=O 86718250 573590421 /nfs/dbraw/zinc/59/04/21/573590421.db2.gz PWWVREOQASHROF-RXMQYKEDSA-N 0 0 182.169 2.340 10 0 AEAERN CCOc1ccc2c(c1)[C@@H](O)[C@@H](C)C2 86721890 573590465 /nfs/dbraw/zinc/59/04/65/573590465.db2.gz QDWDFSFVXMZIEF-UFBFGSQYSA-N 0 0 192.258 2.311 10 0 AEAERN CC/C=C\C[C@H](O)[C@H](O)C/C=C/CC 308631176 573590471 /nfs/dbraw/zinc/59/04/71/573590471.db2.gz UYJWYVDYJROARV-DJAPFNDMSA-N 0 0 198.306 2.421 10 0 AEAERN COCc1cccc2c1C[C@H](C)[C@@H]2O 86721939 573590496 /nfs/dbraw/zinc/59/04/96/573590496.db2.gz LPNNDNNBXMUOPC-UFBFGSQYSA-N 0 0 192.258 2.059 10 0 AEAERN O=Cc1cccc([C@H]2CC[C@H](O)C2)c1 259521263 573590508 /nfs/dbraw/zinc/59/05/08/573590508.db2.gz AJEGIPVEHVMXTN-RYUDHWBXSA-N 0 0 190.242 2.128 10 0 AEAERN CCOc1ccc2c(c1)[C@@H](O)[C@H](C)C2 86721886 573590519 /nfs/dbraw/zinc/59/05/19/573590519.db2.gz QDWDFSFVXMZIEF-PELKAZGASA-N 0 0 192.258 2.311 10 0 AEAERN COc1ccccc1C1(Cl)COC1 258812458 573590526 /nfs/dbraw/zinc/59/05/26/573590526.db2.gz XYIYPNMGEYSQII-UHFFFAOYSA-N 0 0 198.649 2.160 10 0 AEAERN O=C(CC1CC1)OCC=C1CCC1 308404400 573590554 /nfs/dbraw/zinc/59/05/54/573590554.db2.gz KTUNYZQJOZRSJB-UHFFFAOYSA-N 0 0 180.247 2.440 10 0 AEAERN CCc1cccc2c1C[C@@H](C)[C@@H]2O 86721636 573590613 /nfs/dbraw/zinc/59/06/13/573590613.db2.gz RMKTXRYHAKSGJW-PELKAZGASA-N 0 0 176.259 2.475 10 0 AEAERN Cc1c2c(Cl)c(N)ccc2nn1C 259522007 573590667 /nfs/dbraw/zinc/59/06/67/573590667.db2.gz QKRLZFRXGGCIMT-UHFFFAOYSA-N 0 0 195.653 2.117 10 0 AEAERN CC(=O)c1nn(C)c2c(C)cccc12 107419253 573590684 /nfs/dbraw/zinc/59/06/84/573590684.db2.gz FBSWHEKKKKPIPG-UHFFFAOYSA-N 0 0 188.230 2.084 10 0 AEAERN COCc1ccc2c(c1)[C@@H](O)[C@@H](C)C2 86722010 573590707 /nfs/dbraw/zinc/59/07/07/573590707.db2.gz AYJPODHQRPSFRE-UFBFGSQYSA-N 0 0 192.258 2.059 10 0 AEAERN CCO[C@@](C)(CCCO)C(C)C 238276374 573590708 /nfs/dbraw/zinc/59/07/08/573590708.db2.gz QPQBPZLETQEQQA-JTQLQIEISA-N 0 0 174.284 2.210 10 0 AEAERN Cc1ccn(-c2ccc(O)cc2C)n1 83696276 573590711 /nfs/dbraw/zinc/59/07/11/573590711.db2.gz BFTKAWIANKEXOZ-UHFFFAOYSA-N 0 0 188.230 2.195 10 0 AEAERN CC(=O)[C@]1(C)CCC[C@@H]1C 238454977 573590722 /nfs/dbraw/zinc/59/07/22/573590722.db2.gz GFPARBIWGRTBRS-IONNQARKSA-N 0 0 140.226 2.402 10 0 AEAERN CCOc1cccc2c1C[C@H](C)[C@H]2O 86721967 573590740 /nfs/dbraw/zinc/59/07/40/573590740.db2.gz QYOGJECIKBEFOO-QPUJVOFHSA-N 0 0 192.258 2.311 10 0 AEAERN Nc1ccc([C@H]2C[C@H]2CF)cc1 259518968 573590758 /nfs/dbraw/zinc/59/07/58/573590758.db2.gz ADVBIKPJPUCBGZ-WCBMZHEXSA-N 0 0 165.211 2.342 10 0 AEAERN C[C@@]1(c2ccco2)CC[C@](C)(CO)O1 238454982 573590759 /nfs/dbraw/zinc/59/07/59/573590759.db2.gz LTECDBNQZUMZNM-MNOVXSKESA-N 0 0 196.246 2.056 10 0 AEAERN C[C@@H]1c2ccccc2[C@@H](O)[C@@H]1C 86721881 573590787 /nfs/dbraw/zinc/59/07/87/573590787.db2.gz XETZEKWPNHTPOC-RNSXUZJQSA-N 0 0 162.232 2.473 10 0 AEAERN Nc1ccc([C@@H]2C[C@@H]2CF)cc1 259518958 573590789 /nfs/dbraw/zinc/59/07/89/573590789.db2.gz ADVBIKPJPUCBGZ-SCZZXKLOSA-N 0 0 165.211 2.342 10 0 AEAERN CCOc1cccc2c1C[C@@H](C)[C@H]2O 86721968 573590849 /nfs/dbraw/zinc/59/08/49/573590849.db2.gz QYOGJECIKBEFOO-PRHODGIISA-N 0 0 192.258 2.311 10 0 AEAERN CC(=C1CC1)[C@@H](C)[C@@H](C)O 238443559 573590876 /nfs/dbraw/zinc/59/08/76/573590876.db2.gz QAKOXGIXMCVUAY-HTRCEHHLSA-N 0 0 140.226 2.114 10 0 AEAERN C[C@H]1[C@@H]2CCc3cccc(c32)[C@@H]1O 86721598 573590902 /nfs/dbraw/zinc/59/09/02/573590902.db2.gz ZSCFHDNJKUVWEU-QOSJWCAFSA-N 0 0 174.243 2.400 10 0 AEAERN C[C@H]1C(=O)C[C@H]1Cc1ccccc1 238443792 573590930 /nfs/dbraw/zinc/59/09/30/573590930.db2.gz MFCREBNBPVCQQL-MWLCHTKSSA-N 0 0 174.243 2.454 10 0 AEAERN C[C@H]1CN[C@@H](c2ccco2)C1(F)F 238443464 573592143 /nfs/dbraw/zinc/59/21/43/573592143.db2.gz ADVQKUAPCOVICG-XPUUQOCRSA-N 0 0 187.189 2.195 10 0 AEAERN COC1(CCCO)CCCCC1 259521217 573592145 /nfs/dbraw/zinc/59/21/45/573592145.db2.gz AIJGODSUFKZLFV-UHFFFAOYSA-N 0 0 172.268 2.108 10 0 AEAERN Nc1cc(Cc2ccccc2)sn1 107420514 573592271 /nfs/dbraw/zinc/59/22/71/573592271.db2.gz VUTQKRYTYBOTAK-UHFFFAOYSA-N 0 0 190.271 2.316 10 0 AEAERN CCC(CC)CNc1ccncn1 130472840 573592412 /nfs/dbraw/zinc/59/24/12/573592412.db2.gz CZLWTKQYADPSHM-UHFFFAOYSA-N 0 0 179.267 2.325 10 0 AEAERN Cc1ncncc1-c1ccccc1C=O 257833848 573592425 /nfs/dbraw/zinc/59/24/25/573592425.db2.gz IDGLBSQTBHQLGN-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN Nc1ccccc1COCC(F)F 130471288 573592438 /nfs/dbraw/zinc/59/24/38/573592438.db2.gz GDYKSXAKGSERKU-UHFFFAOYSA-N 0 0 187.189 2.051 10 0 AEAERN Cc1cccc(-c2cc(C=O)ncn2)c1 259135507 573592514 /nfs/dbraw/zinc/59/25/14/573592514.db2.gz SUAXQWARQLLWTE-UHFFFAOYSA-N 0 0 198.225 2.265 10 0 AEAERN CC(C)c1c2c(nn1C)CCCC2=O 107423775 573592543 /nfs/dbraw/zinc/59/25/43/573592543.db2.gz OCDVUQMTSZIZEJ-UHFFFAOYSA-N 0 0 192.262 2.063 10 0 AEAERN CC(C)[C@@](C)(O)c1cccc(O)c1 259521279 573592598 /nfs/dbraw/zinc/59/25/98/573592598.db2.gz AJLIAZJZDGXOKY-LLVKDONJSA-N 0 0 180.247 2.256 10 0 AEAERN CC(C)[C@H](O)[C@@H]1CCc2cccnc21 86735084 573592691 /nfs/dbraw/zinc/59/26/91/573592691.db2.gz XNVVQMPQPBDJLB-PWSUYJOCSA-N 0 0 191.274 2.128 10 0 AEAERN Nc1cccc([C@@H](O)CC2CC2)c1 236378991 573592727 /nfs/dbraw/zinc/59/27/27/573592727.db2.gz NRANSZAFMCUNMU-NSHDSACASA-N 0 0 177.247 2.102 10 0 AEAERN C[C@@H]1C[C@H](O)[C@@H](C(C)(C)C)C1 238455494 573592778 /nfs/dbraw/zinc/59/27/78/573592778.db2.gz CMYGOIKFVRYAKT-CIUDSAMLSA-N 0 0 156.269 2.440 10 0 AEAERN O=Cc1nnsc1-c1ccccc1 107420231 573592805 /nfs/dbraw/zinc/59/28/05/573592805.db2.gz LYZWKJMNBJNCIF-UHFFFAOYSA-N 0 0 190.227 2.018 10 0 AEAERN CC(C)[C@](C)(O)c1cccc(O)c1 259521280 573593961 /nfs/dbraw/zinc/59/39/61/573593961.db2.gz AJLIAZJZDGXOKY-NSHDSACASA-N 0 0 180.247 2.256 10 0 AEAERN C[C@@H]1[C@@H]2C(=O)CCC[C@H]2[C@@H]1C 238456149 573594008 /nfs/dbraw/zinc/59/40/08/573594008.db2.gz QBNSDXCIWDLYCS-VEVYYDQMSA-N 0 0 152.237 2.258 10 0 AEAERN Cc1cccc2cc(C=O)c(F)nc12 238456286 573594055 /nfs/dbraw/zinc/59/40/55/573594055.db2.gz DARPMTQYFHMMBO-UHFFFAOYSA-N 0 0 189.189 2.495 10 0 AEAERN CCc1cc(C(=O)C(C)C)c(N)n1C 75512363 573594149 /nfs/dbraw/zinc/59/41/49/573594149.db2.gz BAGPLYCQFPWOOW-UHFFFAOYSA-N 0 0 194.278 2.008 10 0 AEAERN Cc1cc(C[C@H](C)[C@H](C)O)cc(C)n1 238455889 573594212 /nfs/dbraw/zinc/59/42/12/573594212.db2.gz CWQSXSJVQLOSHN-KWQFWETISA-N 0 0 193.290 2.258 10 0 AEAERN Cc1cc(F)ccc1SCCO 259135699 573594295 /nfs/dbraw/zinc/59/42/95/573594295.db2.gz DGIGJAFMWUUFCJ-UHFFFAOYSA-N 0 0 186.251 2.219 10 0 AEAERN Fc1ccccc1-n1nncc1Cl 257835407 573594318 /nfs/dbraw/zinc/59/43/18/573594318.db2.gz AJAJAYLTSJFBGJ-UHFFFAOYSA-N 0 0 197.600 2.060 10 0 AEAERN C[C@@H]1C[C@H](O)[C@@H]2[C@H](C1)C2(C)C 238456256 573594362 /nfs/dbraw/zinc/59/43/62/573594362.db2.gz NZERPKAXZIGFLL-JBDRJPRFSA-N 0 0 154.253 2.049 10 0 AEAERN Cc1nc(C2CCCC2)c[nH]1 259136844 573594383 /nfs/dbraw/zinc/59/43/83/573594383.db2.gz RHOBDURNVIRBRV-UHFFFAOYSA-N 0 0 150.225 2.376 10 0 AEAERN Cc1ccc2c(c1)N[C@H](C)C(=O)S2 259135398 573594413 /nfs/dbraw/zinc/59/44/13/573594413.db2.gz GXOLEMRTASHJPY-SSDOTTSWSA-N 0 0 193.271 2.428 10 0 AEAERN C[C@H]1CCC[C@H](C(N)=O)CC1(C)C 238456376 573594442 /nfs/dbraw/zinc/59/44/42/573594442.db2.gz PRNHZWGZGZDARX-IUCAKERBSA-N 0 0 183.295 2.324 10 0 AEAERN Cc1cc([C@@H](C)O)c(F)cc1F 86727614 573594443 /nfs/dbraw/zinc/59/44/43/573594443.db2.gz ZGYKVNYNPOGKTQ-ZCFIWIBFSA-N 0 0 172.174 2.327 10 0 AEAERN Cc1ccc(O)c(CC(C)(C)CO)c1 238456185 573594518 /nfs/dbraw/zinc/59/45/18/573594518.db2.gz ALZZQRUKDPSNTI-UHFFFAOYSA-N 0 0 194.274 2.262 10 0 AEAERN CC[C@](C)(O)[C@H]1CCc2cccnc21 86734812 573594562 /nfs/dbraw/zinc/59/45/62/573594562.db2.gz BBSSBJYYKDMBTC-JQWIXIFHSA-N 0 0 191.274 2.272 10 0 AEAERN C[C@H](O)[C@@H](C)C1SCCCS1 238455456 573594570 /nfs/dbraw/zinc/59/45/70/573594570.db2.gz XJYGMYAPUROBRC-RQJHMYQMSA-N 0 0 192.349 2.200 10 0 AEAERN C[C@@H](CO)c1ccc(Cl)o1 257832704 573594582 /nfs/dbraw/zinc/59/45/82/573594582.db2.gz KSVBHRQNRUCKND-YFKPBYRVSA-N 0 0 160.600 2.029 10 0 AEAERN CCC(CC)CN1C(=S)N=NC1C 130485271 573594620 /nfs/dbraw/zinc/59/46/20/573594620.db2.gz VUHDZUNEPCTRPI-UHFFFAOYSA-N 0 0 199.323 2.311 10 0 AEAERN Cc1ccc(N(C)CCO)c(C)c1C 259135952 573594644 /nfs/dbraw/zinc/59/46/44/573594644.db2.gz WVAVITAXLBGWBB-UHFFFAOYSA-N 0 0 193.290 2.040 10 0 AEAERN CC(=O)[C@H](C)Nc1ccc(C)cc1 238456179 573594682 /nfs/dbraw/zinc/59/46/82/573594682.db2.gz FVNNOBNRUKPARU-VIFPVBQESA-N 0 0 177.247 2.384 10 0 AEAERN CC[C@](C)(O)[C@@H]1CCc2cccnc21 86734807 573594694 /nfs/dbraw/zinc/59/46/94/573594694.db2.gz BBSSBJYYKDMBTC-PWSUYJOCSA-N 0 0 191.274 2.272 10 0 AEAERN CCc1cccc([C@@H](C)CO)c1O 258066822 573594702 /nfs/dbraw/zinc/59/47/02/573594702.db2.gz TYISGHPAMRMQKU-QMMMGPOBSA-N 0 0 180.247 2.050 10 0 AEAERN CC1(C[C@H](O)[C@H](O)C2CC2)CCCC1 308645394 573598075 /nfs/dbraw/zinc/59/80/75/573598075.db2.gz GZYCDBPOKIIVOX-WDEREUQCSA-N 0 0 198.306 2.089 10 0 AEAERN Cc1cc(C(=O)[C@@H]2CCCO2)cs1 83710825 573598096 /nfs/dbraw/zinc/59/80/96/573598096.db2.gz RBUYSNGXCWZOSF-VIFPVBQESA-N 0 0 196.271 2.418 10 0 AEAERN OC1(C[C@H]2CCSC2)CCCC1 258070914 573598105 /nfs/dbraw/zinc/59/81/05/573598105.db2.gz QINWDJFXTWVXFF-SECBINFHSA-N 0 0 186.320 2.435 10 0 AEAERN Cc1cc([C@H](O)[C@@H]2CCCO2)cs1 83711778 573598137 /nfs/dbraw/zinc/59/81/37/573598137.db2.gz VKVVOMAWNZCIGU-UWVGGRQHSA-N 0 0 198.287 2.269 10 0 AEAERN CC[C@@H](O)[C@H]1CCCc2cccnc21 86735260 573598188 /nfs/dbraw/zinc/59/81/88/573598188.db2.gz GDKOJQMKFDKLNS-GHMZBOCLSA-N 0 0 191.274 2.272 10 0 AEAERN CC(C)(C)c1cn2c(n1)[C@H](O)CCC2 257835889 573598204 /nfs/dbraw/zinc/59/82/04/573598204.db2.gz KPNFPDGCBWQSGN-MRVPVSSYSA-N 0 0 194.278 2.008 10 0 AEAERN Nc1nc2ccccc2nc1C1CC1 236389814 573598241 /nfs/dbraw/zinc/59/82/41/573598241.db2.gz PLKFOPSEZNWWFK-UHFFFAOYSA-N 0 0 185.230 2.089 10 0 AEAERN CC(=O)C[C@H](O)C1[C@@H](C)CCC[C@@H]1C 238457378 573598242 /nfs/dbraw/zinc/59/82/42/573598242.db2.gz FWVIVCHBGHSPRU-QXEWZRGKSA-N 0 0 198.306 2.399 10 0 AEAERN C[C@@H]1c2c(F)cccc2CC[C@@H]1O 259137964 573598255 /nfs/dbraw/zinc/59/82/55/573598255.db2.gz GKHMDGSLWQTWFT-XVKPBYJWSA-N 0 0 180.222 2.236 10 0 AEAERN Cc1ccc(C)c2c1CC[C@H](CO)C2 238456839 573598268 /nfs/dbraw/zinc/59/82/68/573598268.db2.gz YGELXDRDTMSLFH-NSHDSACASA-N 0 0 190.286 2.401 10 0 AEAERN O=C(c1cccc(F)c1)[C@H]1CCCO1 83710707 573598269 /nfs/dbraw/zinc/59/82/69/573598269.db2.gz HYGSXAMEFNSDDP-SNVBAGLBSA-N 0 0 194.205 2.187 10 0 AEAERN C[C@H](CO)C[C@@H]1CCc2cccnc21 86738577 573598291 /nfs/dbraw/zinc/59/82/91/573598291.db2.gz QVCZJHWOHJZFBX-ONGXEEELSA-N 0 0 191.274 2.130 10 0 AEAERN C[C@H]1c2c(F)cccc2CC[C@H]1O 259137942 573598306 /nfs/dbraw/zinc/59/83/06/573598306.db2.gz GKHMDGSLWQTWFT-GMSGAONNSA-N 0 0 180.222 2.236 10 0 AEAERN CC(=O)c1cc(N(C)C)cs1 75528488 573598329 /nfs/dbraw/zinc/59/83/29/573598329.db2.gz FQHNZNNTCFOOCV-UHFFFAOYSA-N 0 0 169.249 2.017 10 0 AEAERN O=C(c1ccccc1F)[C@H]1CCCO1 83710971 573598763 /nfs/dbraw/zinc/59/87/63/573598763.db2.gz HJJVLBDYHAFTAC-SNVBAGLBSA-N 0 0 194.205 2.187 10 0 AEAERN C[C@@H]1Cc2cccc(C=O)c2[C@@H](O)C1 238445920 573598442 /nfs/dbraw/zinc/59/84/42/573598442.db2.gz YNMZUBVEHLRUAN-KCJUWKMLSA-N 0 0 190.242 2.115 10 0 AEAERN O=C(C1CCCCC1)[C@@H]1CCCO1 83710754 573598468 /nfs/dbraw/zinc/59/84/68/573598468.db2.gz XCYVZUQVQIRSTF-JTQLQIEISA-N 0 0 182.263 2.315 10 0 AEAERN C[C@H]1CC[C@H](O)c2ccccc2N1 238457146 573598470 /nfs/dbraw/zinc/59/84/70/573598470.db2.gz GNQFSWOVCXPWTK-KWQFWETISA-N 0 0 177.247 2.314 10 0 AEAERN CC1CCC([C@H](O)[C@@H]2CCCO2)CC1 83711242 573598474 /nfs/dbraw/zinc/59/84/74/573598474.db2.gz PSQWNLLSXLKIAU-QQFIATSDSA-N 0 0 198.306 2.353 10 0 AEAERN Cc1ccccc1[C@H](O)[C@@H]1CCCO1 83711629 573598483 /nfs/dbraw/zinc/59/84/83/573598483.db2.gz KACWIRQAFBRMGE-RYUDHWBXSA-N 0 0 192.258 2.207 10 0 AEAERN C[C@H]1CC(=O)[C@H]2C=C[C@@H]1CC2 238456625 573598549 /nfs/dbraw/zinc/59/85/49/573598549.db2.gz CQXBZAGEBVQVAS-YIZRAAEISA-N 0 0 150.221 2.178 10 0 AEAERN CC(=O)c1n[nH]c2cc(Cl)ccc12 107428569 573598619 /nfs/dbraw/zinc/59/86/19/573598619.db2.gz WBDHBIRKGMRULT-UHFFFAOYSA-N 0 0 194.621 2.419 10 0 AEAERN O=C(c1ccccc1F)[C@@H]1CCCO1 83710969 573598645 /nfs/dbraw/zinc/59/86/45/573598645.db2.gz HJJVLBDYHAFTAC-JTQLQIEISA-N 0 0 194.205 2.187 10 0 AEAERN O[C@H](c1ccccc1F)[C@@H]1CCCO1 83711969 573598728 /nfs/dbraw/zinc/59/87/28/573598728.db2.gz ZBMVKPZJDYDMDO-WDEREUQCSA-N 0 0 196.221 2.038 10 0 AEAERN Cc1ccccc1[C@@H](O)[C@@H]1CCCO1 83711631 573598735 /nfs/dbraw/zinc/59/87/35/573598735.db2.gz KACWIRQAFBRMGE-NWDGAFQWSA-N 0 0 192.258 2.207 10 0 AEAERN CO[C@@H](C)CC[C@@H](O)CC(C)C 130491305 573598745 /nfs/dbraw/zinc/59/87/45/573598745.db2.gz FVGJMOFVAGIXET-VHSXEESVSA-N 0 0 174.284 2.209 10 0 AEAERN C[C@@]12C[C@H]3C[C@@H]1CCC[C@@H]2C3=O 238456636 573598756 /nfs/dbraw/zinc/59/87/56/573598756.db2.gz VVGWTCJYPVQKBV-PKIKSRDPSA-N 0 0 164.248 2.402 10 0 AEAERN CC[C@@H](CO)CC1CCC1 259141200 573601917 /nfs/dbraw/zinc/60/19/17/573601917.db2.gz CTBBWSPYBWZYLU-MRVPVSSYSA-N 0 0 142.242 2.195 10 0 AEAERN CC(C)c1coc(C(C)(C)O)n1 259525843 573601993 /nfs/dbraw/zinc/60/19/93/573601993.db2.gz ATYSVFKTUAZTAF-UHFFFAOYSA-N 0 0 169.224 2.025 10 0 AEAERN Cc1cc2cc(CCCO)ccc2[nH]1 259140063 573602031 /nfs/dbraw/zinc/60/20/31/573602031.db2.gz INJHHMFFQIRJLY-UHFFFAOYSA-N 0 0 189.258 2.401 10 0 AEAERN CC(=O)c1cnc([C@H]2CCCO2)s1 83714316 573602054 /nfs/dbraw/zinc/60/20/54/573602054.db2.gz DODHCYYXNOUGSW-SSDOTTSWSA-N 0 0 197.259 2.197 10 0 AEAERN CCOC(=O)N1CCCCC[C@H]1C 78746177 573602086 /nfs/dbraw/zinc/60/20/86/573602086.db2.gz NQCRNBYVIAMJCQ-SECBINFHSA-N 0 0 185.267 2.407 10 0 AEAERN Cc1ccc2c(c1)NC(C)(C)C(=O)O2 258410910 573602087 /nfs/dbraw/zinc/60/20/87/573602087.db2.gz CZXMWDHLNRMIDC-UHFFFAOYSA-N 0 0 191.230 2.105 10 0 AEAERN CCC(=O)[C@H]1CCCc2cccnc21 86735788 573602088 /nfs/dbraw/zinc/60/20/88/573602088.db2.gz SFGQCQXPLNAXNU-SNVBAGLBSA-N 0 0 189.258 2.481 10 0 AEAERN C[C@H]1C[NH2+][C@H]1c1cc(F)ccc1F 259140308 573602166 /nfs/dbraw/zinc/60/21/66/573602166.db2.gz JUQMARSLOQGKAB-QUBYGPBYSA-N 0 0 183.201 2.245 10 0 AEAERN CC(=O)CC[C@@H]1CCc2cccnc21 86737984 573602221 /nfs/dbraw/zinc/60/22/21/573602221.db2.gz UGKNXKPJRMSWSD-LLVKDONJSA-N 0 0 189.258 2.481 10 0 AEAERN OCC1CCC2(CC1)CC2(F)F 257836285 573602241 /nfs/dbraw/zinc/60/22/41/573602241.db2.gz LBDUXUYAGXUFGB-UHFFFAOYSA-N 0 0 176.206 2.194 10 0 AEAERN CC(C)C(=O)[C@@H]1CCc2cccnc21 86735781 573602246 /nfs/dbraw/zinc/60/22/46/573602246.db2.gz LLXXGIXKYVGDQQ-SNVBAGLBSA-N 0 0 189.258 2.337 10 0 AEAERN O=C(CC1CCCC1)[C@@H]1CCOC1 83716068 573602263 /nfs/dbraw/zinc/60/22/63/573602263.db2.gz IGIJHIDHPQEVBL-SNVBAGLBSA-N 0 0 182.263 2.172 10 0 AEAERN C[C@@H](O)c1cnc([C@@H]2CCCO2)s1 83714515 573602264 /nfs/dbraw/zinc/60/22/64/573602264.db2.gz GDKILGZCONCUHX-RQJHMYQMSA-N 0 0 199.275 2.048 10 0 AEAERN CC(=O)CCc1nccc(C(C)C)n1 259123736 573602267 /nfs/dbraw/zinc/60/22/67/573602267.db2.gz PTUGBQMFCRBETP-UHFFFAOYSA-N 0 0 192.262 2.122 10 0 AEAERN CCO[C@H](C)[C@@H](CC)C(=O)CC 238283648 573602285 /nfs/dbraw/zinc/60/22/85/573602285.db2.gz YBZKHSRGOHXFKD-RKDXNWHRSA-N 0 0 172.268 2.417 10 0 AEAERN CC1(c2ccc(F)cc2)COC1 258817768 573602296 /nfs/dbraw/zinc/60/22/96/573602296.db2.gz YIGSTKBZVYKWGK-UHFFFAOYSA-N 0 0 166.195 2.114 10 0 AEAERN C[C@@H](O)c1csc([C@@H]2CCCO2)n1 83714521 573602302 /nfs/dbraw/zinc/60/23/02/573602302.db2.gz SZPBKLSOEYDVFP-SVRRBLITSA-N 0 0 199.275 2.048 10 0 AEAERN CC(C)c1oc(N)nc1C(F)(F)F 257836610 573602305 /nfs/dbraw/zinc/60/23/05/573602305.db2.gz KWTRDPDGXCSMMU-UHFFFAOYSA-N 0 0 194.156 2.399 10 0 AEAERN CC1=NC(=O)OC1c1ccccc1F 257836568 573602314 /nfs/dbraw/zinc/60/23/14/573602314.db2.gz KUPPNPKXUFDMNU-UHFFFAOYSA-N 0 0 193.177 2.495 10 0 AEAERN Clc1nc([C@H]2CCCO2)ns1 83715459 573602316 /nfs/dbraw/zinc/60/23/16/573602316.db2.gz VYDRFLKIJWOCKZ-SCSAIBSYSA-N 0 0 190.655 2.043 10 0 AEAERN C[C@H]1CNc2cc(CO)ccc2S1 258410924 573602345 /nfs/dbraw/zinc/60/23/45/573602345.db2.gz CZZDVSHPOONMJJ-ZETCQYMHSA-N 0 0 195.287 2.085 10 0 AEAERN Cc1cccc(S[C@@H](C)[NH3+])c1 259140711 573602350 /nfs/dbraw/zinc/60/23/50/573602350.db2.gz DSCHSUONTIWRBQ-QMMMGPOBSA-N 0 0 167.277 2.392 10 0 AEAERN Cc1cc(C(=O)[C@H]2CCOC2)cs1 83716188 573602469 /nfs/dbraw/zinc/60/24/69/573602469.db2.gz SJRYVBNWWCNMEY-QMMMGPOBSA-N 0 0 196.271 2.276 10 0 AEAERN CCCCCC(=O)[C@@H]1CCOC1 83716225 573602553 /nfs/dbraw/zinc/60/25/53/573602553.db2.gz VGXLEXAYSWZNFB-SECBINFHSA-N 0 0 170.252 2.172 10 0 AEAERN CCC[C@@H](O)[C@@H]1CCc2cccnc21 86735205 573602591 /nfs/dbraw/zinc/60/25/91/573602591.db2.gz LVAONJYVHAPHRQ-WDEREUQCSA-N 0 0 191.274 2.272 10 0 AEAERN COC1(c2ccccc2Cl)COC1 258817847 573602598 /nfs/dbraw/zinc/60/25/98/573602598.db2.gz YKUHOONATDFFMG-UHFFFAOYSA-N 0 0 198.649 2.212 10 0 AEAERN C[C@@]12CC[C@@H]1CCCC2=O 238447011 573602600 /nfs/dbraw/zinc/60/26/00/573602600.db2.gz JCXIWEGTAICFRF-IONNQARKSA-N 0 0 138.210 2.156 10 0 AEAERN C[Si](C)(C)[C@H]1C=C[C@H](O)C1 238446440 573602638 /nfs/dbraw/zinc/60/26/38/573602638.db2.gz MKOLSVDKFSZPIF-YUMQZZPRSA-N 0 0 156.301 2.016 10 0 AEAERN OCCc1ccc(CC2CC2)cc1 238685999 573606861 /nfs/dbraw/zinc/60/68/61/573606861.db2.gz LGJDUIVLBWHZHD-UHFFFAOYSA-N 0 0 176.259 2.174 10 0 AEAERN CCOc1ccc(SC[NH2+]C)cc1 259123378 573606862 /nfs/dbraw/zinc/60/68/62/573606862.db2.gz CDDWPNKFHYPKPI-UHFFFAOYSA-N 0 0 197.303 2.354 10 0 AEAERN C[C@@H]1CCc2cc(O)ccc2N1 75545738 573606895 /nfs/dbraw/zinc/60/68/95/573606895.db2.gz VWYDCMYNQBWYOR-SSDOTTSWSA-N 0 0 163.220 2.139 10 0 AEAERN Cc1cc([C@@H](C)O)cc(C)c1O 75547259 573606962 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/nfs/dbraw/zinc/60/98/44/573609844.db2.gz LYBVXVMEPPANLK-MRVPVSSYSA-N 0 0 193.246 2.021 10 0 AEAERN C[C@@H](CO)c1cc(O)ccc1Cl 258067402 573609872 /nfs/dbraw/zinc/60/98/72/573609872.db2.gz LXLVMSRLEUAOIL-LURJTMIESA-N 0 0 186.638 2.141 10 0 AEAERN OCC1(Sc2cccs2)CC1 259125740 573609890 /nfs/dbraw/zinc/60/98/90/573609890.db2.gz CHOYLQNNKMLXAA-UHFFFAOYSA-N 0 0 186.301 2.365 10 0 AEAERN CNc1nc(-c2ccc(C)o2)c[nH]1 259127379 573609933 /nfs/dbraw/zinc/60/99/33/573609933.db2.gz QNMZDZHFLAZEEL-UHFFFAOYSA-N 0 0 177.207 2.020 10 0 AEAERN CC(C)(C)[C@@H](O)c1cccc(O)c1 142761736 573609941 /nfs/dbraw/zinc/60/99/41/573609941.db2.gz NOGBAHANMRKSNX-JTQLQIEISA-N 0 0 180.247 2.472 10 0 AEAERN C[C@@H](Nc1ccc(F)cc1)C(C)(C)O 83725083 573609955 /nfs/dbraw/zinc/60/99/55/573609955.db2.gz GHNCVJNDLQBORU-MRVPVSSYSA-N 0 0 197.253 2.397 10 0 AEAERN OC[C@@H]1CSCC[C@H]1CC(F)F 258069147 573609968 /nfs/dbraw/zinc/60/99/68/573609968.db2.gz LJGUJGXKWMWUBY-NKWVEPMBSA-N 0 0 196.262 2.003 10 0 AEAERN CC(=O)Cc1coc(-c2ccco2)n1 258067592 573609985 /nfs/dbraw/zinc/60/99/85/573609985.db2.gz LTDCKZCQWNISHK-UHFFFAOYSA-N 0 0 191.186 2.066 10 0 AEAERN Cc1cc2ccc(O)cc2n1C 75544924 573610026 /nfs/dbraw/zinc/61/00/26/573610026.db2.gz OSNDKMMOJAUTDW-UHFFFAOYSA-N 0 0 161.204 2.192 10 0 AEAERN CC(=O)c1nc(-c2cccs2)c[nH]1 259127302 573610037 /nfs/dbraw/zinc/61/00/37/573610037.db2.gz QLOPOJBTUUPNTN-UHFFFAOYSA-N 0 0 192.243 2.341 10 0 AEAERN COCc1cc2cc(O)ccc2n1C 258067944 573610053 /nfs/dbraw/zinc/61/00/53/573610053.db2.gz POPSHWYEKCBGFD-UHFFFAOYSA-N 0 0 191.230 2.030 10 0 AEAERN C[C@@H](CO)c1coc2cccc(O)c12 257837292 573610081 /nfs/dbraw/zinc/61/00/81/573610081.db2.gz AZCPZFAJAUFIAM-ZETCQYMHSA-N 0 0 192.214 2.234 10 0 AEAERN COCc1cn(C)c2cc(F)ccc12 258067912 573610082 /nfs/dbraw/zinc/61/00/82/573610082.db2.gz PNZOOSFLMRFXTJ-UHFFFAOYSA-N 0 0 193.221 2.464 10 0 AEAERN Cc1ccc(C(F)F)nc1C=O 238448347 573610446 /nfs/dbraw/zinc/61/04/46/573610446.db2.gz KSTRNFUMNKCKQP-UHFFFAOYSA-N 0 0 171.146 2.140 10 0 AEAERN 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/nfs/dbraw/zinc/61/03/71/573610371.db2.gz TYCGAIMGRNOECK-UHFFFAOYSA-N 0 0 195.237 2.023 10 0 AEAERN C[C@H](Nc1ccccc1)C(C)(C)O 83724683 573610435 /nfs/dbraw/zinc/61/04/35/573610435.db2.gz BZGQTVPJNXRZCE-VIFPVBQESA-N 0 0 179.263 2.258 10 0 AEAERN Cc1cc([C@H](C)[NH3+])cc(C(=O)[O-])c1C 258067425 573611769 /nfs/dbraw/zinc/61/17/69/573611769.db2.gz LYBVXVMEPPANLK-QMMMGPOBSA-N 0 0 193.246 2.021 10 0 AEAERN Cc1cccc2c3c([nH]c12)CC[C@@H]3O 83724001 573611132 /nfs/dbraw/zinc/61/11/32/573611132.db2.gz LWIVSUGNBLYOEK-JTQLQIEISA-N 0 0 187.242 2.456 10 0 AEAERN Cc1ccc([C@@H]2NC(=O)C2(C)C)cc1 198369837 573611154 /nfs/dbraw/zinc/61/11/54/573611154.db2.gz MGLFCOPBHGICFX-JTQLQIEISA-N 0 0 189.258 2.192 10 0 AEAERN FC(F)CN(CC1(F)CC1)C1CC1 393542451 573611192 /nfs/dbraw/zinc/61/11/92/573611192.db2.gz MQFFRZNIITZHDS-UHFFFAOYSA-N 0 0 193.212 2.218 10 0 AEAERN O=c1cccc2o[nH]c(Cl)c1-2 75558298 573611250 /nfs/dbraw/zinc/61/12/50/573611250.db2.gz BRQFEVAUKWAEAN-UHFFFAOYSA-N 0 0 169.567 2.187 10 0 AEAERN 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/nfs/dbraw/zinc/62/23/71/573622371.db2.gz TWWCNDGFIIUBKT-ZETCQYMHSA-N 0 0 178.231 2.451 10 0 AEAERN Cc1ccc(O)c2c1CCC[C@H]2O 75568457 573622378 /nfs/dbraw/zinc/62/23/78/573622378.db2.gz UVFIDJIWJRGROV-SECBINFHSA-N 0 0 178.231 2.070 10 0 AEAERN CCC[C@@]1(C2CC2)CC[C@@](C)(CO)O1 308644891 573622410 /nfs/dbraw/zinc/62/24/10/573622410.db2.gz GNFGVAWEKXBKGV-RYUDHWBXSA-N 0 0 198.306 2.497 10 0 AEAERN CC(C)C[C@@H](O)c1ccc(F)cc1N 257837912 573622460 /nfs/dbraw/zinc/62/24/60/573622460.db2.gz LDBFEOQRKQMQRT-LLVKDONJSA-N 0 0 197.253 2.487 10 0 AEAERN Cc1cccc([O-])c1[N+]#N 142790170 573622462 /nfs/dbraw/zinc/62/24/62/573622462.db2.gz MDCVYTMZIKQDQO-UHFFFAOYSA-O 0 0 135.146 2.185 10 0 AEAERN CCN(C(=O)[C@@H]1CC1(C)C)C(C)C 393542674 573622509 /nfs/dbraw/zinc/62/25/09/573622509.db2.gz NHVCDKYAHZAPSW-VIFPVBQESA-N 0 0 183.295 2.289 10 0 AEAERN C[C@@H]1CC[C@H](CO)C(C)(C)C1 142792181 573622525 /nfs/dbraw/zinc/62/25/25/573622525.db2.gz OUYXTAMWOJKTQE-RKDXNWHRSA-N 0 0 156.269 2.441 10 0 AEAERN Oc1cccc2c1CCCS2 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/nfs/dbraw/zinc/62/90/93/573629093.db2.gz LKUPMXQALFBHGN-VXGBXAGGSA-N 0 0 198.306 2.354 10 0 AEAERN C[C@H]1CC(=O)NC2=CCCC[C@]21C 238453948 573629102 /nfs/dbraw/zinc/62/91/02/573629102.db2.gz WFMAOXQJWJAHJL-KWQFWETISA-N 0 0 179.263 2.217 10 0 AEAERN CCN(C)c1ccc2[nH]c(C)[nH+]c2c1 259132090 573629253 /nfs/dbraw/zinc/62/92/53/573629253.db2.gz QONUHOSWXRHJGJ-UHFFFAOYSA-N 0 0 189.262 2.327 10 0 AEAERN CC(C)(C)[C@@H](CO)C[C@@H]1CCCO1 162448981 573629340 /nfs/dbraw/zinc/62/93/40/573629340.db2.gz UVJQKVBFYVSKFZ-ZJUUUORDSA-N 0 0 186.295 2.210 10 0 AEAERN C[C@H](N)c1nc(C2CCCC2)co1 259533108 573629348 /nfs/dbraw/zinc/62/93/48/573629348.db2.gz BEOIBFUKONYDEY-ZETCQYMHSA-N 0 0 180.251 2.352 10 0 AEAERN Cc1noc2c(F)ccc(C=O)c12 259534299 573629360 /nfs/dbraw/zinc/62/93/60/573629360.db2.gz RYQABERAENVGKI-UHFFFAOYSA-N 0 0 179.150 2.088 10 0 AEAERN CCOc1nc(N)cc2ccccc12 75578600 573629400 /nfs/dbraw/zinc/62/94/00/573629400.db2.gz FLGYRKWDQCKIOM-UHFFFAOYSA-N 0 0 188.230 2.216 10 0 AEAERN CC1(C)CCC(C(N)=S)CC1 83778449 573629496 /nfs/dbraw/zinc/62/94/96/573629496.db2.gz ZOLWZOHZXSZOIS-UHFFFAOYSA-N 0 0 171.309 2.489 10 0 AEAERN C[C@H](O)[C@H]1Cc2c(Cl)cccc2O1 258072349 573629500 /nfs/dbraw/zinc/62/95/00/573629500.db2.gz GXQLDSBEHMNPNI-QUBYGPBYSA-N 0 0 198.649 2.024 10 0 AEAERN Nc1cnc(C2CCCCCC2)nc1 83779067 573629538 /nfs/dbraw/zinc/62/95/38/573629538.db2.gz KNHXSUMQAPXCFD-UHFFFAOYSA-N 0 0 191.278 2.497 10 0 AEAERN CCSc1c(N)n[nH]c1C(C)C 75576979 573629575 /nfs/dbraw/zinc/62/95/75/573629575.db2.gz MRBCQQNOPUYFDF-UHFFFAOYSA-N 0 0 185.296 2.227 10 0 AEAERN CC(=O)c1nc([C@@H]2CC[C@@H](C)C2)no1 83790931 573632171 /nfs/dbraw/zinc/63/21/71/573632171.db2.gz FCEUFKNJQWAAIV-HTRCEHHLSA-N 0 0 194.234 2.176 10 0 AEAERN C[C@H]1CC[C@H](C(=O)c2cnccn2)C1 83784983 573632178 /nfs/dbraw/zinc/63/21/78/573632178.db2.gz ASJSSHTZXBDNBW-IUCAKERBSA-N 0 0 190.246 2.096 10 0 AEAERN Cc1ccc(C[C@@H](C)O)c(F)c1 258074649 573632203 /nfs/dbraw/zinc/63/22/03/573632203.db2.gz UWTLPZAGYIQFAQ-MRVPVSSYSA-N 0 0 168.211 2.057 10 0 AEAERN COc1cc2onc(Cl)c2cc1O 258074544 573632215 /nfs/dbraw/zinc/63/22/15/573632215.db2.gz UVBVZPYQGDPPMR-UHFFFAOYSA-N 0 0 199.593 2.195 10 0 AEAERN CCc1cc(C[C@@H](C)O)ccc1OC 258072806 573632245 /nfs/dbraw/zinc/63/22/45/573632245.db2.gz MKIJTMZOIZBYEQ-SECBINFHSA-N 0 0 194.274 2.181 10 0 AEAERN CC[C@H]1CCC[C@@H](c2noc(N)n2)C1 83790051 573632258 /nfs/dbraw/zinc/63/22/58/573632258.db2.gz RBATYVHLUAFVKH-JGVFFNPUSA-N 0 0 195.266 2.336 10 0 AEAERN Cc1ccc(C[C@H](C)O)c(F)c1 258074651 573632265 /nfs/dbraw/zinc/63/22/65/573632265.db2.gz UWTLPZAGYIQFAQ-QMMMGPOBSA-N 0 0 168.211 2.057 10 0 AEAERN CCCCc1nnc([C@@H](C)NCC)o1 50618867 573632318 /nfs/dbraw/zinc/63/23/18/573632318.db2.gz ZDHVOKPKWNRXNQ-MRVPVSSYSA-N 0 0 197.282 2.083 10 0 AEAERN C[C@H]1CC[C@H](C(=O)c2ccnn2C)C1 83785150 573632320 /nfs/dbraw/zinc/63/23/20/573632320.db2.gz CGCUGSCHHDHIOU-IUCAKERBSA-N 0 0 192.262 2.039 10 0 AEAERN CCC(C)(C)C(=O)Cn1ccc(C)n1 308650586 573632326 /nfs/dbraw/zinc/63/23/26/573632326.db2.gz 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573632433 /nfs/dbraw/zinc/63/24/33/573632433.db2.gz KGEFNAQNOKBWOB-QMMMGPOBSA-N 0 0 154.209 2.048 10 0 AEAERN Cc1cc(O)c(C(C)C)cc1CNO 258072730 573632444 /nfs/dbraw/zinc/63/24/44/573632444.db2.gz MIWCKHYPXJLXCB-UHFFFAOYSA-N 0 0 195.262 2.303 10 0 AEAERN C[C@@H]1CC[C@H]([C@H](O)C2CC2)C1 83785709 573632451 /nfs/dbraw/zinc/63/24/51/573632451.db2.gz DXNVQCGEAFYLJB-FKTZTGRPSA-N 0 0 154.253 2.194 10 0 AEAERN C[C@@H](O)c1cccc2c1[C@@H](C)CO2 258072962 573632458 /nfs/dbraw/zinc/63/24/58/573632458.db2.gz MJTPEMMVJVIINL-JGVFFNPUSA-N 0 0 178.231 2.236 10 0 AEAERN C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]12 238459016 573632471 /nfs/dbraw/zinc/63/24/71/573632471.db2.gz USSYPKKGCUXIJS-DJLDLDEBSA-N 0 0 197.278 2.262 10 0 AEAERN Cc1ccsc1/C=C\CO 211977130 573632475 /nfs/dbraw/zinc/63/24/75/573632475.db2.gz JQPOHMRGMRCFLJ-IHWYPQMZSA-N 0 0 154.234 2.062 10 0 AEAERN C[C@@H]1CC[C@@H](c2nc(Cl)n[nH]2)C1 83791189 573632478 /nfs/dbraw/zinc/63/24/78/573632478.db2.gz RYCLHTSOKOFPNH-PHDIDXHHSA-N 0 0 185.658 2.362 10 0 AEAERN C=Cc1cc(C)cc(C=O)c1O 238459640 573632490 /nfs/dbraw/zinc/63/24/90/573632490.db2.gz QDOSTXQLPTWOIG-UHFFFAOYSA-N 0 0 162.188 2.156 10 0 AEAERN CNc1ccnc([C@H]2CC[C@H](C)C2)n1 83789772 573632525 /nfs/dbraw/zinc/63/25/25/573632525.db2.gz HXQXXQFWWDMZDU-IUCAKERBSA-N 0 0 191.278 2.422 10 0 AEAERN Cc1coc(=O)c2c(C)ccc(O)c12 238459552 573632553 /nfs/dbraw/zinc/63/25/53/573632553.db2.gz VXEIVJPMBKPFSA-UHFFFAOYSA-N 0 0 190.198 2.115 10 0 AEAERN Nc1cccc([C@]2(F)CCCOC2)c1 257834992 573632577 /nfs/dbraw/zinc/63/25/77/573632577.db2.gz KLFMSCSXZFDNSB-NSHDSACASA-N 0 0 195.237 2.244 10 0 AEAERN C[C@H]1CC[C@@H](c2ncc(C=O)cn2)C1 83790221 573632592 /nfs/dbraw/zinc/63/25/92/573632592.db2.gz VDEXNJRUHGGZDU-WCBMZHEXSA-N 0 0 190.246 2.193 10 0 AEAERN Cc1ccc2c(c1)O[C@@H](C)C[C@H]2O 238459059 573632613 /nfs/dbraw/zinc/63/26/13/573632613.db2.gz DIIRHYGTPNSTOA-WCBMZHEXSA-N 0 0 178.231 2.199 10 0 AEAERN O[C@@H]1Cc2cccc(C(F)(F)F)c21 257834997 573632617 /nfs/dbraw/zinc/63/26/17/573632617.db2.gz 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573655970 /nfs/dbraw/zinc/65/59/70/573655970.db2.gz BZEVPAPBYREQSK-UHFFFAOYSA-N 0 0 165.192 2.145 10 0 AEAERN Cc1ccc(O)c2c1CC=C2 238458500 573655972 /nfs/dbraw/zinc/65/59/72/573655972.db2.gz WAYBENOFCFENDN-UHFFFAOYSA-N 0 0 146.189 2.270 10 0 AEAERN CCCNc1nc([C@@H]2C[C@H]2C)ns1 83811149 573655983 /nfs/dbraw/zinc/65/59/83/573655983.db2.gz ZYAUTJNTBNWANT-RNFRBKRXSA-N 0 0 197.307 2.483 10 0 AEAERN OCCc1ccc(F)c(Cl)c1F 258083139 573656042 /nfs/dbraw/zinc/65/60/42/573656042.db2.gz NFRPGDGAWTZDJW-UHFFFAOYSA-N 0 0 192.592 2.153 10 0 AEAERN C[C@H]1CC(=O)[C@H]2CCC=C[C@@H]12 238458171 573656052 /nfs/dbraw/zinc/65/60/52/573656052.db2.gz FCBWSTCSQGFLFK-CIUDSAMLSA-N 0 0 150.221 2.178 10 0 AEAERN C[C@]12C=C3CC=C[C@@H]3C[C@@H]1CC2=O 238471321 573656058 /nfs/dbraw/zinc/65/60/58/573656058.db2.gz XWWGZRQOSJMTAC-UISBYWKRSA-N 0 0 174.243 2.488 10 0 AEAERN Cc1cccc([C@@](C)(F)CO)c1C 257841047 573656086 /nfs/dbraw/zinc/65/60/86/573656086.db2.gz NWYIUGRNXMONSW-NSHDSACASA-N 0 0 182.238 2.480 10 0 AEAERN CC(=O)c1occc1N1CCCC1 75624537 573656126 /nfs/dbraw/zinc/65/61/26/573656126.db2.gz ZMZXULGNHHLJMN-UHFFFAOYSA-N 0 0 179.219 2.082 10 0 AEAERN CC(C)CNc1nc([C@H]2C[C@@H]2C)no1 83810397 573656146 /nfs/dbraw/zinc/65/61/46/573656146.db2.gz LAHXJZMVLMJEDO-YUMQZZPRSA-N 0 0 195.266 2.261 10 0 AEAERN CC(C)Nc1nc([C@@H]2C[C@@H]2C)no1 83810387 573656187 /nfs/dbraw/zinc/65/61/87/573656187.db2.gz SVBZIPDJMTYIIM-NKWVEPMBSA-N 0 0 181.239 2.013 10 0 AEAERN COC(=O)[C@@H](F)c1ccc(Cl)o1 257841262 573657032 /nfs/dbraw/zinc/65/70/32/573657032.db2.gz MFJNGEGHDJOWKI-LURJTMIESA-N 0 0 192.573 2.117 10 0 AEAERN COc1cc(N)cc(C2CCCC2)n1 257841679 573656308 /nfs/dbraw/zinc/65/63/08/573656308.db2.gz MJPGFTUMJVPVGM-UHFFFAOYSA-N 0 0 192.262 2.330 10 0 AEAERN Cc1ccc(C)c2c(CO)c[nH]c12 238458879 573656381 /nfs/dbraw/zinc/65/63/81/573656381.db2.gz AHWZWSQWUQBWDB-UHFFFAOYSA-N 0 0 175.231 2.277 10 0 AEAERN CNc1[nH]c2ccccc2c1C(C)=O 258854228 573656441 /nfs/dbraw/zinc/65/64/41/573656441.db2.gz XYNBZRGBPREFJO-UHFFFAOYSA-N 0 0 188.230 2.412 10 0 AEAERN Nc1ccc([C@@H]2CCCS2)nc1 259543338 573656459 /nfs/dbraw/zinc/65/64/59/573656459.db2.gz BZZACEOQYGQHGC-VIFPVBQESA-N 0 0 180.276 2.232 10 0 AEAERN Cc1ccc(C)c2[nH]c(CO)cc12 238458221 573656543 /nfs/dbraw/zinc/65/65/43/573656543.db2.gz IOVMEGWEXMPCDQ-UHFFFAOYSA-N 0 0 175.231 2.277 10 0 AEAERN Cn1cc(N[C@H]2CCCC2(C)C)cn1 86856265 573656548 /nfs/dbraw/zinc/65/65/48/573656548.db2.gz BVRJOLMKVYOGIJ-JTQLQIEISA-N 0 0 193.294 2.411 10 0 AEAERN CC(=O)c1cnc([C@@H]2C[C@@H]2C)nc1C 83810424 573656580 /nfs/dbraw/zinc/65/65/80/573656580.db2.gz ZDVDLKGJODMUDE-IMTBSYHQSA-N 0 0 190.246 2.111 10 0 AEAERN Nc1ccc([C@H]2CCCS2)nc1 259543336 573656622 /nfs/dbraw/zinc/65/66/22/573656622.db2.gz BZZACEOQYGQHGC-SECBINFHSA-N 0 0 180.276 2.232 10 0 AEAERN Cc1ccc(O)c2c1C(=O)CCS2 238458953 573656637 /nfs/dbraw/zinc/65/66/37/573656637.db2.gz ULDQXECPOSPYPR-UHFFFAOYSA-N 0 0 194.255 2.379 10 0 AEAERN Cc1ccc(O)c2c1CCCO2 238458836 573656684 /nfs/dbraw/zinc/65/66/84/573656684.db2.gz FKSCHZNAMQSOAP-UHFFFAOYSA-N 0 0 164.204 2.026 10 0 AEAERN CCNc1nc([C@@H]2C[C@H]2C)ns1 83811145 573656703 /nfs/dbraw/zinc/65/67/03/573656703.db2.gz SWULTFLNWRBKGQ-PHDIDXHHSA-N 0 0 183.280 2.093 10 0 AEAERN Cc1ccccc1-c1conc1C=O 257841159 573656708 /nfs/dbraw/zinc/65/67/08/573656708.db2.gz OCHZJMQIHGZEQK-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN C[C@H]1C[C@@H](O)CC2(CCCCC2)O1 238458582 573656711 /nfs/dbraw/zinc/65/67/11/573656711.db2.gz MGPNIUXGOJNDOO-VHSXEESVSA-N 0 0 184.279 2.249 10 0 AEAERN C[C@@H](Cc1ccc(Cl)cc1)ON 259543822 573656744 /nfs/dbraw/zinc/65/67/44/573656744.db2.gz VMZUSVIIESWCAG-ZETCQYMHSA-N 0 0 185.654 2.161 10 0 AEAERN CC(=O)c1cnc([C@H]2C[C@@H]2C)nc1C 83810425 573656792 /nfs/dbraw/zinc/65/67/92/573656792.db2.gz ZDVDLKGJODMUDE-RCOVLWMOSA-N 0 0 190.246 2.111 10 0 AEAERN CC(C)Nc1nc([C@H]2C[C@@H]2C)no1 83810385 573656801 /nfs/dbraw/zinc/65/68/01/573656801.db2.gz SVBZIPDJMTYIIM-BQBZGAKWSA-N 0 0 181.239 2.013 10 0 AEAERN C[C@H]1CC=C[C@@H](C)[C@@H](C)C1=O 238471128 573656805 /nfs/dbraw/zinc/65/68/05/573656805.db2.gz VRVDEPOUVNXRKK-HRDYMLBCSA-N 0 0 152.237 2.424 10 0 AEAERN C[C@H](O)Cc1cccc(F)c1CF 258083340 573656810 /nfs/dbraw/zinc/65/68/10/573656810.db2.gz NIFWWEBGDUQXRX-ZETCQYMHSA-N 0 0 186.201 2.219 10 0 AEAERN CC(=O)c1cnc([C@H]2C[C@H]2C)nc1C 83810427 573656866 /nfs/dbraw/zinc/65/68/66/573656866.db2.gz ZDVDLKGJODMUDE-MUWHJKNJSA-N 0 0 190.246 2.111 10 0 AEAERN CC[C@@]1(C)CC[C@H](CO)C1 258082325 573656870 /nfs/dbraw/zinc/65/68/70/573656870.db2.gz VSCFVWNJAHLSOX-IUCAKERBSA-N 0 0 142.242 2.195 10 0 AEAERN CONCc1ccc(O)c([C@@H](C)F)c1 258081685 573656956 /nfs/dbraw/zinc/65/69/56/573656956.db2.gz IYEDLXILEXLCJN-SSDOTTSWSA-N 0 0 199.225 2.074 10 0 AEAERN CC1(C)CCC[C@H]1Nc1cn[nH]c1 86856272 573656986 /nfs/dbraw/zinc/65/69/86/573656986.db2.gz RIZSQHNOKNWLSP-SECBINFHSA-N 0 0 179.267 2.400 10 0 AEAERN C[C@H]1[C@H](C)C12CCCCC2=O 238458817 573656989 /nfs/dbraw/zinc/65/69/89/573656989.db2.gz PHWWCIVRMHMPMZ-YUMQZZPRSA-N 0 0 152.237 2.402 10 0 AEAERN O=C(c1ccn(CC(F)F)c1)C1CC1 130704750 573657008 /nfs/dbraw/zinc/65/70/08/573657008.db2.gz WUWVIGXHMSAMHQ-UHFFFAOYSA-N 0 0 199.200 2.346 10 0 AEAERN CC[C@]1(C)CC[C@@H](CO)C1 258082327 573657013 /nfs/dbraw/zinc/65/70/13/573657013.db2.gz VSCFVWNJAHLSOX-RKDXNWHRSA-N 0 0 142.242 2.195 10 0 AEAERN C[C@H](O)c1cccc2c1OC[C@H]2C 258084093 573663530 /nfs/dbraw/zinc/66/35/30/573663530.db2.gz MYPUTLWYLYWXHA-SFYZADRCSA-N 0 0 178.231 2.236 10 0 AEAERN CCNc1cc(O)c(C)cc1OC 144557662 573664262 /nfs/dbraw/zinc/66/42/62/573664262.db2.gz JGNSJNUAKNMVLX-UHFFFAOYSA-N 0 0 181.235 2.141 10 0 AEAERN Cc1ccc(O)c2[nH]c(C=O)c(C)c12 257843936 573664345 /nfs/dbraw/zinc/66/43/45/573664345.db2.gz NBZXKMOPYQXLJQ-UHFFFAOYSA-N 0 0 189.214 2.303 10 0 AEAERN Cc1ccc([C@@](C)(F)CO)c(C)c1 257843790 573663568 /nfs/dbraw/zinc/66/35/68/573663568.db2.gz PEWDZUXRVUGIBF-NSHDSACASA-N 0 0 182.238 2.480 10 0 AEAERN C[C@@H]1C[C@@H]2CCCC[C@@]2(C)NC1=O 238472979 573663603 /nfs/dbraw/zinc/66/36/03/573663603.db2.gz SSLYXIUWYXCSFV-WCABBAIRSA-N 0 0 181.279 2.091 10 0 AEAERN C[C@@H]1C[C@@H]2CCCC[C@@]2(C)C(=O)N1 238472947 573663608 /nfs/dbraw/zinc/66/36/08/573663608.db2.gz SEXJXXNPLGEIBQ-WCABBAIRSA-N 0 0 181.279 2.091 10 0 AEAERN CC1(C)CCC[C@@]12CC(=O)NC2(C)C 86870065 573663693 /nfs/dbraw/zinc/66/36/93/573663693.db2.gz FXUAUHCYZRHAEZ-GFCCVEGCSA-N 0 0 195.306 2.481 10 0 AEAERN CC1(C)CCC[C@@]1(N)C(F)(F)F 86869150 573663808 /nfs/dbraw/zinc/66/38/08/573663808.db2.gz ZHWYUQWCBHRZJN-ZETCQYMHSA-N 0 0 181.201 2.456 10 0 AEAERN C[C@H](O)c1cccc2c1C[C@H](C)N2C 258084241 573663832 /nfs/dbraw/zinc/66/38/32/573663832.db2.gz MZXKBBLUJWXGPX-IUCAKERBSA-N 0 0 191.274 2.121 10 0 AEAERN CCc1ccc(C)cc1CCCO 258084515 573663881 /nfs/dbraw/zinc/66/38/81/573663881.db2.gz WCKDDIIHYCXHMC-UHFFFAOYSA-N 0 0 178.275 2.482 10 0 AEAERN CC1(C)CCC[C@@]12CC(=O)CCO2 86869280 573663909 /nfs/dbraw/zinc/66/39/09/573663909.db2.gz XZVYJZGFDORKTH-LLVKDONJSA-N 0 0 182.263 2.315 10 0 AEAERN FCCNc1ccc(F)cc1 83823955 573663915 /nfs/dbraw/zinc/66/39/15/573663915.db2.gz 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/nfs/dbraw/zinc/66/41/70/573664170.db2.gz GKPZLXFIUKZBIZ-RSJDFQLWSA-N 0 0 198.306 2.089 10 0 AEAERN C[C@@H](O)[C@](F)(Cl)C(F)(F)Cl 238475156 573664176 /nfs/dbraw/zinc/66/41/76/573664176.db2.gz MSMFIHVFUHZGHS-PWNYCUMCSA-N 0 0 196.983 2.103 10 0 AEAERN Cc1cccc2c1N[C@@H](C)CO2 83823798 573664220 /nfs/dbraw/zinc/66/42/20/573664220.db2.gz IJKFHRCUSHWKRH-QMMMGPOBSA-N 0 0 163.220 2.188 10 0 AEAERN NC1=NO[C@@H](c2ccc(Cl)cc2)C1 257844486 573664228 /nfs/dbraw/zinc/66/42/28/573664228.db2.gz NHKPCPIEMGXKSE-MRVPVSSYSA-N 0 0 196.637 2.074 10 0 AEAERN CC/C(=C/c1cncn1C1CC1)CO 211959216 573664237 /nfs/dbraw/zinc/66/42/37/573664237.db2.gz KSZGRNHIVATQRE-UITAMQMPSA-N 0 0 192.262 2.004 10 0 AEAERN Cc1csc2nc3c(n12)CCC3 107876263 573668657 /nfs/dbraw/zinc/66/86/57/573668657.db2.gz YXHKIUNEBNWCBM-UHFFFAOYSA-N 0 0 178.260 2.193 10 0 AEAERN CC/C(=C/c1ccn(CC)c1)CO 211959067 573668664 /nfs/dbraw/zinc/66/86/64/573668664.db2.gz BGAOESQDSMPAAQ-YFHOEESVSA-N 0 0 179.263 2.294 10 0 AEAERN Cc1ccc([C@@H]2NC(=O)O[C@H]2C)cc1 144514149 573668694 /nfs/dbraw/zinc/66/86/94/573668694.db2.gz VXLKSKASXCLDKF-WCBMZHEXSA-N 0 0 191.230 2.164 10 0 AEAERN CCc1cccc([C@@H](O)CC)c1N 144505099 573668735 /nfs/dbraw/zinc/66/87/35/573668735.db2.gz NULHONSVKXCMJZ-JTQLQIEISA-N 0 0 179.263 2.275 10 0 AEAERN CC(=O)CNc1ccc(Cl)s1 258855542 573668740 /nfs/dbraw/zinc/66/87/40/573668740.db2.gz DVMQVRUZFUSETB-UHFFFAOYSA-N 0 0 189.667 2.402 10 0 AEAERN CCOc1ccc(NC(C)C)cn1 83824133 573668756 /nfs/dbraw/zinc/66/87/56/573668756.db2.gz SVTHLDWFAKOYNE-UHFFFAOYSA-N 0 0 180.251 2.301 10 0 AEAERN C[C@@H]1C=C[C@@H]2C(=O)CC[C@@H]2C1 238475356 573668779 /nfs/dbraw/zinc/66/87/79/573668779.db2.gz FFZNHTTZIWXYJX-HLTSFMKQSA-N 0 0 150.221 2.178 10 0 AEAERN C[C@H](CO)c1ccc2c(c1)C[C@@H](C)O2 258075749 573668809 /nfs/dbraw/zinc/66/88/09/573668809.db2.gz MSSIFFPEYZXQCU-RKDXNWHRSA-N 0 0 192.258 2.106 10 0 AEAERN Cc1cccc(-c2c[nH][nH]c2=O)c1 258861962 573668842 /nfs/dbraw/zinc/66/88/42/573668842.db2.gz 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238481961 573697371 /nfs/dbraw/zinc/69/73/71/573697371.db2.gz KMYDMOYMGJMQIV-UHFFFAOYSA-N 0 0 189.218 2.430 10 0 AEAERN C[C@H](O)[C@@]1(c2ccccc2)CCCO1 238480765 573697445 /nfs/dbraw/zinc/69/74/45/573697445.db2.gz INOFOEGPKSMCGX-CMPLNLGQSA-N 0 0 192.258 2.073 10 0 AEAERN CC1=NN(CCC(C)C)C(C)C1=O 83893172 573697446 /nfs/dbraw/zinc/69/74/46/573697446.db2.gz WNPXWFVJLLMTCG-UHFFFAOYSA-N 0 0 182.267 2.252 10 0 AEAERN Cc1ccoc1-c1ncc(C=O)o1 238481540 573697465 /nfs/dbraw/zinc/69/74/65/573697465.db2.gz KCBIXCYTHJRYIG-UHFFFAOYSA-N 0 0 177.159 2.056 10 0 AEAERN CC1(C)OC[C@@H](c2ccc(N)cc2)O1 258088367 573697468 /nfs/dbraw/zinc/69/74/68/573697468.db2.gz WNAURUDDIBAIAR-JTQLQIEISA-N 0 0 193.246 2.093 10 0 AEAERN CCn1nc(C=O)c2c1CCC[C@@H]2F 257848946 573697484 /nfs/dbraw/zinc/69/74/84/573697484.db2.gz OFWPVAMHLBHNEX-ZETCQYMHSA-N 0 0 196.225 2.062 10 0 AEAERN OCCc1ccncc1-c1ccccc1 259169712 573697491 /nfs/dbraw/zinc/69/74/91/573697491.db2.gz HUUKPMZBHZCXBE-UHFFFAOYSA-N 0 0 199.253 2.283 10 0 AEAERN C/C=C/C=C/C(C)=C/CCO 238000333 573697520 /nfs/dbraw/zinc/69/75/20/573697520.db2.gz KIQXQOBGUXYKFV-OKVUOBSYSA-N 0 0 152.237 2.447 10 0 AEAERN OC[C@]1(C2CCCCC2)CCCOC1 236502459 573697522 /nfs/dbraw/zinc/69/75/22/573697522.db2.gz IGDXBINOCAPDGE-GFCCVEGCSA-N 0 0 198.306 2.356 10 0 AEAERN OC[C@H]1CCSC[C@@H]1CC(F)F 257848786 573697541 /nfs/dbraw/zinc/69/75/41/573697541.db2.gz DJFFYRXOWYGKPB-RQJHMYQMSA-N 0 0 196.262 2.003 10 0 AEAERN COC[C@@H]1CCCC[C@@H]1C[C@@H](C)O 393551274 573697548 /nfs/dbraw/zinc/69/75/48/573697548.db2.gz ZGWFEIOKPHIYBA-MXWKQRLJSA-N 0 0 186.295 2.210 10 0 AEAERN Cc1cccc([C@@H](F)CO)c1C 257848416 573697549 /nfs/dbraw/zinc/69/75/49/573697549.db2.gz QWWDGPGVDVEREV-JTQLQIEISA-N 0 0 168.211 2.306 10 0 AEAERN CC(C)c1cc(C(=O)CN)ccc1F 258087950 573697552 /nfs/dbraw/zinc/69/75/52/573697552.db2.gz NRKHTUKMYSFUQL-UHFFFAOYSA-N 0 0 195.237 2.091 10 0 AEAERN CCN(C(=O)/C=C/SC)C1CCC1 393552298 573697563 /nfs/dbraw/zinc/69/75/63/573697563.db2.gz DCFCFFVBLNBHLU-BQYQJAHWSA-N 0 0 199.319 2.264 10 0 AEAERN CCn1ccnc1Oc1cccnc1 257848469 573697599 /nfs/dbraw/zinc/69/75/99/573697599.db2.gz AXMBXLVDOHKPEC-UHFFFAOYSA-N 0 0 189.218 2.090 10 0 AEAERN Cc1cccc2c1OC(=O)C(C)(C)N2 259168128 573697604 /nfs/dbraw/zinc/69/76/04/573697604.db2.gz IYEGBAYSRFEJHT-UHFFFAOYSA-N 0 0 191.230 2.105 10 0 AEAERN O=C1CC[C@@H]2c3ccccc3N[C@@H]2C1 197474824 573697612 /nfs/dbraw/zinc/69/76/12/573697612.db2.gz UHDGLWSORQBXRX-ZYHUDNBSSA-N 0 0 187.242 2.317 10 0 AEAERN O=C1CC[C@@H]2c3ccccc3N[C@H]2C1 197474800 573697640 /nfs/dbraw/zinc/69/76/40/573697640.db2.gz UHDGLWSORQBXRX-PWSUYJOCSA-N 0 0 187.242 2.317 10 0 AEAERN CCCC[C@@H]1O[C@H](CCCC)[C@@H]1O 393551537 573698400 /nfs/dbraw/zinc/69/84/00/573698400.db2.gz SLDJYNDPZXEAFJ-URLYPYJESA-N 0 0 186.295 2.495 10 0 AEAERN CC[C@H](O)[C@@H]1CC(C)(C)OC1(C)C 86928406 573698402 /nfs/dbraw/zinc/69/84/02/573698402.db2.gz JHRQAJBJQPXKHK-IUCAKERBSA-N 0 0 186.295 2.351 10 0 AEAERN Nc1cc(-c2cccc3[nH]ccc23)no1 258087309 573697713 /nfs/dbraw/zinc/69/77/13/573697713.db2.gz 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/nfs/dbraw/zinc/69/81/56/573698156.db2.gz JKZYGXNWYSHLFX-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN Cc1ccc2c(c1)SC(=O)[C@@H](C)N2 258415169 573698163 /nfs/dbraw/zinc/69/81/63/573698163.db2.gz DKUFDPKTYYLPGE-SSDOTTSWSA-N 0 0 193.271 2.428 10 0 AEAERN CC(=O)c1cc(F)cc2c1O[C@H](C)C2 259558015 573698223 /nfs/dbraw/zinc/69/82/23/573698223.db2.gz WVAWNXGKDDBASZ-ZCFIWIBFSA-N 0 0 194.205 2.352 10 0 AEAERN C[C@H]1CCC=C([C@H](C)O)C1 238482320 573698228 /nfs/dbraw/zinc/69/82/28/573698228.db2.gz GZEBCZJEFXSAHK-YUMQZZPRSA-N 0 0 140.226 2.114 10 0 AEAERN C/C=C/C1=CCCC[C@H](O)C1 237997850 573698234 /nfs/dbraw/zinc/69/82/34/573698234.db2.gz KTHYSQOLFOJXJE-FWYAXHSGSA-N 0 0 152.237 2.424 10 0 AEAERN CC(=O)[C@@H](O)c1coc2ccccc12 259167991 573698248 /nfs/dbraw/zinc/69/82/48/573698248.db2.gz OBRUNXXRSPNIGC-LLVKDONJSA-N 0 0 190.198 2.055 10 0 AEAERN C[C@@H](F)c1cc(C2(O)CC2)ccc1O 258088146 573698262 /nfs/dbraw/zinc/69/82/62/573698262.db2.gz NUILOKVJJSBFRL-SSDOTTSWSA-N 0 0 196.221 2.404 10 0 AEAERN CC[C@@H](O)[C@@H]1CC(C)(C)OC1(C)C 86928410 573698265 /nfs/dbraw/zinc/69/82/65/573698265.db2.gz JHRQAJBJQPXKHK-DTWKUNHWSA-N 0 0 186.295 2.351 10 0 AEAERN Oc1cc(Cl)ccc1C1(O)CC1 258088041 573698273 /nfs/dbraw/zinc/69/82/73/573698273.db2.gz NSVNCGZDXXDHDT-UHFFFAOYSA-N 0 0 184.622 2.027 10 0 AEAERN CC(=O)[C@@H]1CC(C)(C)OC1(C)C 86928262 573698275 /nfs/dbraw/zinc/69/82/75/573698275.db2.gz GQPMKLYDLBEVPP-QMMMGPOBSA-N 0 0 170.252 2.169 10 0 AEAERN CC(C)(O)/C=C/[C@@H](O)c1ccccc1 197472199 573698276 /nfs/dbraw/zinc/69/82/76/573698276.db2.gz GTHFLGAFIBUEJI-ANYFNZRUSA-N 0 0 192.258 2.047 10 0 AEAERN C[C@H]1CCC=C([C@@H](C)O)C1 238482291 573698280 /nfs/dbraw/zinc/69/82/80/573698280.db2.gz GZEBCZJEFXSAHK-JGVFFNPUSA-N 0 0 140.226 2.114 10 0 AEAERN CC1(C)C[C@@](O)(C2CC2)C(C)(C)O1 86928119 573698283 /nfs/dbraw/zinc/69/82/83/573698283.db2.gz BDLSADLRGONRRZ-LLVKDONJSA-N 0 0 184.279 2.105 10 0 AEAERN Cn1nc(NC2CC2)cc1C(C)(C)C 259166724 573698316 /nfs/dbraw/zinc/69/83/16/573698316.db2.gz LILRNJIMGLXBOE-UHFFFAOYSA-N 0 0 193.294 2.292 10 0 AEAERN Cc1cc(O)ccc1CF 238482466 573698332 /nfs/dbraw/zinc/69/83/32/573698332.db2.gz YGBWGTDCOGZRPW-UHFFFAOYSA-N 0 0 140.157 2.170 10 0 AEAERN Cc1ccc2c(c1)O[C@H](C)C[C@@H]2O 238483296 573698334 /nfs/dbraw/zinc/69/83/34/573698334.db2.gz DIIRHYGTPNSTOA-SCZZXKLOSA-N 0 0 178.231 2.199 10 0 AEAERN C/C=C/C(C)(C)[C@H]1C[C@H]1CO 237996133 573698449 /nfs/dbraw/zinc/69/84/49/573698449.db2.gz JMTPDPOGCGHYGV-HXQNXIEXSA-N 0 0 154.253 2.217 10 0 AEAERN OC1(c2ccccc2CC(F)F)CC1 258088119 573698459 /nfs/dbraw/zinc/69/84/59/573698459.db2.gz NTXYSRLNQAIPOS-UHFFFAOYSA-N 0 0 198.212 2.476 10 0 AEAERN CC1(C)OC[C@H](c2ccc(N)cc2)O1 258088369 573698476 /nfs/dbraw/zinc/69/84/76/573698476.db2.gz WNAURUDDIBAIAR-SNVBAGLBSA-N 0 0 193.246 2.093 10 0 AEAERN Cc1cccn2c(C3CCC3)nnc12 258086366 573698486 /nfs/dbraw/zinc/69/84/86/573698486.db2.gz FFSYAMAGZJBNQN-UHFFFAOYSA-N 0 0 187.246 2.305 10 0 AEAERN CC(C)[C@@]1(O)CC(C)(C)OC1(C)C 86928039 573698489 /nfs/dbraw/zinc/69/84/89/573698489.db2.gz DGSUGHOZUBILRY-NSHDSACASA-N 0 0 186.295 2.351 10 0 AEAERN Clc1nccc(NCCC2CC2)n1 83911989 573698558 /nfs/dbraw/zinc/69/85/58/573698558.db2.gz DUGJYWJJLJZYMO-UHFFFAOYSA-N 0 0 197.669 2.342 10 0 AEAERN Cc1[nH]c2cc(F)cc(F)c2c1CO 238482895 573698562 /nfs/dbraw/zinc/69/85/62/573698562.db2.gz UUNLHFKXDFCCJM-UHFFFAOYSA-N 0 0 197.184 2.247 10 0 AEAERN CC(=O)[C@H]1CC(C)(C)OC1(C)C 86928264 573698567 /nfs/dbraw/zinc/69/85/67/573698567.db2.gz GQPMKLYDLBEVPP-MRVPVSSYSA-N 0 0 170.252 2.169 10 0 AEAERN Cc1ccc(O)c([C@@H](C)[C@H](C)O)c1 238483235 573698617 /nfs/dbraw/zinc/69/86/17/573698617.db2.gz FCUNVNTYLQEYFX-IUCAKERBSA-N 0 0 180.247 2.185 10 0 AEAERN O=Cc1cccc(C[C@@H]2CCOC2)c1 257848014 573698634 /nfs/dbraw/zinc/69/86/34/573698634.db2.gz OBKXYTWGLXRHQU-LBPRGKRZSA-N 0 0 190.242 2.078 10 0 AEAERN OCC1=Cc2cccc(Cl)c2OC1 236491514 573698644 /nfs/dbraw/zinc/69/86/44/573698644.db2.gz WUKGKIQJRWSNMU-UHFFFAOYSA-N 0 0 196.633 2.108 10 0 AEAERN C/C=C/C(=O)N1CCC[C@H]2CCC[C@@H]21 83892804 573698671 /nfs/dbraw/zinc/69/86/71/573698671.db2.gz FTHUMTFTBUOXHG-UJYZRXPGSA-N 0 0 193.290 2.354 10 0 AEAERN Cc1ccc([C@@H](C)[C@@H](C)C(N)=O)cc1 238483290 573698697 /nfs/dbraw/zinc/69/86/97/573698697.db2.gz NYONJUOLFBURKI-VHSXEESVSA-N 0 0 191.274 2.220 10 0 AEAERN O[C@@H]1CCc2cccc(F)c2C12CC2 259165731 573698743 /nfs/dbraw/zinc/69/87/43/573698743.db2.gz HPRGOSVFOOGYJG-SNVBAGLBSA-N 0 0 192.233 2.164 10 0 AEAERN Cc1cnnc(N[C@H]2CC[C@H](C)C2)c1 235639769 573698768 /nfs/dbraw/zinc/69/87/68/573698768.db2.gz CKIJBMHKSDSTBL-WPRPVWTQSA-N 0 0 191.278 2.386 10 0 AEAERN OC[C@@]1(C2CCCCC2)CCCOC1 236498296 573698809 /nfs/dbraw/zinc/69/88/09/573698809.db2.gz IGDXBINOCAPDGE-LBPRGKRZSA-N 0 0 198.306 2.356 10 0 AEAERN O[C@@H](CC1CC1)C1(O)CCCCCC1 236512930 573698824 /nfs/dbraw/zinc/69/88/24/573698824.db2.gz RZZQIZBQLSRNNZ-NSHDSACASA-N 0 0 198.306 2.233 10 0 AEAERN C/C=C(\C)CC(C)(C)CO 215671141 573698856 /nfs/dbraw/zinc/69/88/56/573698856.db2.gz 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/nfs/dbraw/zinc/69/90/12/573699012.db2.gz DKYDLLJPHCBAOC-UHFFFAOYSA-N 0 0 193.294 2.216 10 0 AEAERN Cc1nnc(Cl)n1CCC1CC1 83912661 573699018 /nfs/dbraw/zinc/69/90/18/573699018.db2.gz YXTQUAGJIPAJNE-UHFFFAOYSA-N 0 0 185.658 2.040 10 0 AEAERN Cc1[nH]c2cc(F)ccc2c1CO 238483044 573699034 /nfs/dbraw/zinc/69/90/34/573699034.db2.gz HZFYQJIJGCSVET-UHFFFAOYSA-N 0 0 179.194 2.108 10 0 AEAERN O=Cc1cccc(C[C@H]2CCOC2)c1 257848013 573699041 /nfs/dbraw/zinc/69/90/41/573699041.db2.gz OBKXYTWGLXRHQU-GFCCVEGCSA-N 0 0 190.242 2.078 10 0 AEAERN OCC1CCC(OC2CCCC2)CC1 236491544 573699092 /nfs/dbraw/zinc/69/90/92/573699092.db2.gz BBBVGLYAVVSJHU-UHFFFAOYSA-N 0 0 198.306 2.497 10 0 AEAERN C1=CC[C@@H](Cn2cccn2)CC1 402316918 573699134 /nfs/dbraw/zinc/69/91/34/573699134.db2.gz DLJDHSNZVUDOJR-SNVBAGLBSA-N 0 0 162.236 2.239 10 0 AEAERN COCNc1cc(C)c(OC)c(C)c1 259169562 573699151 /nfs/dbraw/zinc/69/91/51/573699151.db2.gz UHFBMZXSAXGLFM-UHFFFAOYSA-N 0 0 195.262 2.328 10 0 AEAERN Cc1cncc(C(=O)OC(C)(C)C)c1 83892564 573699154 /nfs/dbraw/zinc/69/91/54/573699154.db2.gz IDSOXHFVYXSXEF-UHFFFAOYSA-N 0 0 193.246 2.345 10 0 AEAERN C[C@@H]1C[C@H](NCC(F)(F)F)CS1 86933962 573706538 /nfs/dbraw/zinc/70/65/38/573706538.db2.gz OUQYDVHTAGOVKY-RITPCOANSA-N 0 0 199.241 2.032 10 0 AEAERN CC[C@@H](C)c1ncc(CO)s1 83942828 573706550 /nfs/dbraw/zinc/70/65/50/573706550.db2.gz RPUAZTQMSDQVEO-ZCFIWIBFSA-N 0 0 171.265 2.149 10 0 AEAERN CCC(=O)c1ccc2c(c1)OCCN2 108239405 573706606 /nfs/dbraw/zinc/70/66/06/573706606.db2.gz FQWWQCLAXKQMMP-UHFFFAOYSA-N 0 0 191.230 2.084 10 0 AEAERN CC(C)(C)C[C@H](O)[C@H]1CCCOC1 224962914 573706619 /nfs/dbraw/zinc/70/66/19/573706619.db2.gz PEICHTOIOSUHJI-UWVGGRQHSA-N 0 0 186.295 2.210 10 0 AEAERN O[C@H](C1CCC1)C1(O)CCCCCC1 236530114 573706639 /nfs/dbraw/zinc/70/66/39/573706639.db2.gz UGBBHCIXCSKCJY-LLVKDONJSA-N 0 0 198.306 2.233 10 0 AEAERN C[C@H]1C[C@@H](NCC(F)(F)F)CS1 86933965 573706676 /nfs/dbraw/zinc/70/66/76/573706676.db2.gz OUQYDVHTAGOVKY-NTSWFWBYSA-N 0 0 199.241 2.032 10 0 AEAERN Nc1cc(-c2ccccc2CF)[nH]n1 258100867 573706680 /nfs/dbraw/zinc/70/66/80/573706680.db2.gz OSHKVLACGSUWRK-UHFFFAOYSA-N 0 0 191.209 2.128 10 0 AEAERN c1ccc(NC2=NCCCCC2)nc1 238015771 573706691 /nfs/dbraw/zinc/70/66/91/573706691.db2.gz DFXRXHKMVKXBEQ-UHFFFAOYSA-N 0 0 189.262 2.466 10 0 AEAERN CN(C)c1ccc(C(C)(C)O)c(F)c1 75845874 573706740 /nfs/dbraw/zinc/70/67/40/573706740.db2.gz FNKBNQHVIKNWFK-UHFFFAOYSA-N 0 0 197.253 2.119 10 0 AEAERN CNc1cncc(N[C@H](C)C2CC2)c1 122134833 573706750 /nfs/dbraw/zinc/70/67/50/573706750.db2.gz DLNYEYZIIFRMSQ-MRVPVSSYSA-N 0 0 191.278 2.334 10 0 AEAERN Cc1nc2ccc(N(C)C)cc2o1 75838773 573706781 /nfs/dbraw/zinc/70/67/81/573706781.db2.gz FRAFQEPOEJDMDG-UHFFFAOYSA-N 0 0 176.219 2.202 10 0 AEAERN CC(C)c1nncn1-c1ccccc1 75839131 573706785 /nfs/dbraw/zinc/70/67/85/573706785.db2.gz CESPKTMABAJTOK-UHFFFAOYSA-N 0 0 187.246 2.391 10 0 AEAERN CCCCC[C@@H]([NH3+])C1(C(=O)[O-])CCC1 308691671 573706839 /nfs/dbraw/zinc/70/68/39/573706839.db2.gz RQHIPZAEDFEPTO-SECBINFHSA-N 0 0 199.294 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/nfs/dbraw/zinc/70/72/35/573707235.db2.gz CEZLEGRWKAFQKV-UHFFFAOYSA-N 0 0 183.276 2.339 10 0 AEAERN Nc1cnccc1C1CCSCC1 257849680 573707260 /nfs/dbraw/zinc/70/72/60/573707260.db2.gz DPJGSHLGUCBBKW-UHFFFAOYSA-N 0 0 194.303 2.274 10 0 AEAERN CC(=O)c1ccc2c(c1)O[C@H](C)CN2 108239340 573707286 /nfs/dbraw/zinc/70/72/86/573707286.db2.gz JZHKEDMKTOFZET-SSDOTTSWSA-N 0 0 191.230 2.082 10 0 AEAERN Cc1ccc(CC2(O)CC2)c(C)c1O 258096183 573712325 /nfs/dbraw/zinc/71/23/25/573712325.db2.gz OJFDLINCDNZFHM-UHFFFAOYSA-N 0 0 192.258 2.076 10 0 AEAERN CC(C)N1CCc2cccc(C=O)c21 258096258 573712353 /nfs/dbraw/zinc/71/23/53/573712353.db2.gz KJXGCSUGNUOCCP-UHFFFAOYSA-N 0 0 189.258 2.270 10 0 AEAERN Cc1cc(O)cc(C)c1[C@@H](C)CO 258095863 573712358 /nfs/dbraw/zinc/71/23/58/573712358.db2.gz XFKISTFMFQAWAN-VIFPVBQESA-N 0 0 180.247 2.105 10 0 AEAERN C[C@H](O)c1c(F)ccc(F)c1F 75852756 573712360 /nfs/dbraw/zinc/71/23/60/573712360.db2.gz HRDINRGAZWEUHD-BYPYZUCNSA-N 0 0 176.137 2.157 10 0 AEAERN OC[C@@H](F)c1ccc(F)c(Cl)c1 257850255 573711409 /nfs/dbraw/zinc/71/14/09/573711409.db2.gz RKECEGRZKKDAOO-MRVPVSSYSA-N 0 0 192.592 2.482 10 0 AEAERN Cc1cnc2c(N)ccc(C)c2c1 238490557 573711434 /nfs/dbraw/zinc/71/14/34/573711434.db2.gz GTNWLBNDJBUUMS-UHFFFAOYSA-N 0 0 172.231 2.434 10 0 AEAERN C[C@@H](O)c1ccc(Cl)c(N(C)C)c1 259560040 573711454 /nfs/dbraw/zinc/71/14/54/573711454.db2.gz WLNSUGWJGSYICQ-SSDOTTSWSA-N 0 0 199.681 2.459 10 0 AEAERN CC(=O)c1cc(C2CCCC2)n(C)n1 257850487 573711500 /nfs/dbraw/zinc/71/15/00/573711500.db2.gz OTEXONFLHFVBTB-UHFFFAOYSA-N 0 0 192.262 2.280 10 0 AEAERN O=C(CC1CC1)c1ncccc1F 122185145 573711503 /nfs/dbraw/zinc/71/15/03/573711503.db2.gz FGYHRAAANFQNER-UHFFFAOYSA-N 0 0 179.194 2.204 10 0 AEAERN O[C@H](C1=CCCCC1)c1cnccn1 236559940 573711554 /nfs/dbraw/zinc/71/15/54/573711554.db2.gz ZGIUUSWMBUESKW-LLVKDONJSA-N 0 0 190.246 2.010 10 0 AEAERN C[C@@H]1CCCCC[C@@H]1NC(=O)C1CC1 83950170 573711583 /nfs/dbraw/zinc/71/15/83/573711583.db2.gz RFQWCGSTZIXOTR-KOLCDFICSA-N 0 0 195.306 2.481 10 0 AEAERN O[C@H]1C=C(Cc2ccncc2)CCC1 83952328 573711628 /nfs/dbraw/zinc/71/16/28/573711628.db2.gz KZVIUQBGDSCQSG-GFCCVEGCSA-N 0 0 189.258 2.095 10 0 AEAERN CC(=O)N[C@H]1CCCCC[C@H]1C 83950154 573711638 /nfs/dbraw/zinc/71/16/38/573711638.db2.gz FWKFAUDSPHNKNT-SCZZXKLOSA-N 0 0 169.268 2.091 10 0 AEAERN C[C@@H]1C(=O)CC[C@@H]1Cc1ccccn1 83951939 573711645 /nfs/dbraw/zinc/71/16/45/573711645.db2.gz ADZYJKFMDQAXQC-VHSXEESVSA-N 0 0 189.258 2.239 10 0 AEAERN O=C1CCC[C@@H](Cc2ccccn2)C1 83951896 573711652 /nfs/dbraw/zinc/71/16/52/573711652.db2.gz ZSLMHPGZCRFLCF-JTQLQIEISA-N 0 0 189.258 2.383 10 0 AEAERN CC(C)[C@H](O)c1ccc(O)cc1 75853422 573711653 /nfs/dbraw/zinc/71/16/53/573711653.db2.gz LZCKIPCEJFQNBZ-JTQLQIEISA-N 0 0 166.220 2.082 10 0 AEAERN O=C1CCC[C@H](Cc2ccccn2)C1 83951897 573711661 /nfs/dbraw/zinc/71/16/61/573711661.db2.gz ZSLMHPGZCRFLCF-SNVBAGLBSA-N 0 0 189.258 2.383 10 0 AEAERN CCC(=O)N[C@H]1CCCCC[C@@H]1C 83950163 573711682 /nfs/dbraw/zinc/71/16/82/573711682.db2.gz JQRQZEADDRYJMO-UWVGGRQHSA-N 0 0 183.295 2.481 10 0 AEAERN C[C@@H]1C(=O)CC[C@H]1Cc1ccccn1 83951937 573711711 /nfs/dbraw/zinc/71/17/11/573711711.db2.gz ADZYJKFMDQAXQC-UWVGGRQHSA-N 0 0 189.258 2.239 10 0 AEAERN O=Cc1nccc2cc(F)ccc12 108265785 573711715 /nfs/dbraw/zinc/71/17/15/573711715.db2.gz LWDUHFSIVDMNGE-UHFFFAOYSA-N 0 0 175.162 2.186 10 0 AEAERN Cc1ccc(N)c([C@H](O)C(C)C)c1 75853430 573711719 /nfs/dbraw/zinc/71/17/19/573711719.db2.gz VCRRPKDQEWOMJQ-LLVKDONJSA-N 0 0 179.263 2.267 10 0 AEAERN CC(=O)c1noc(C2CCCCC2)n1 258096102 573711746 /nfs/dbraw/zinc/71/17/46/573711746.db2.gz RVQGBGDEWRJBKJ-UHFFFAOYSA-N 0 0 194.234 2.320 10 0 AEAERN C[C@@H]1CCCCC[C@H]1NC#N 83949303 573711756 /nfs/dbraw/zinc/71/17/56/573711756.db2.gz UXSYYHYSQQJNHW-RKDXNWHRSA-N 0 0 152.241 2.026 10 0 AEAERN COc1cc(OC)c2c(ccn2C)c1 197515047 573711793 /nfs/dbraw/zinc/71/17/93/573711793.db2.gz BNCFMGGENRWGDN-UHFFFAOYSA-N 0 0 191.230 2.196 10 0 AEAERN CC(=O)[C@@]1(C)CC(C)(C)O[C@@H]1C 238492138 573711818 /nfs/dbraw/zinc/71/18/18/573711818.db2.gz MZXDVFMKVYVACX-PSASIEDQSA-N 0 0 170.252 2.169 10 0 AEAERN C[C@@H]1SCCC[C@H]1Nn1cccc1 86945703 573711845 /nfs/dbraw/zinc/71/18/45/573711845.db2.gz QEOOCKFMWHKBIH-VHSXEESVSA-N 0 0 196.319 2.316 10 0 AEAERN C[C@H]1CCCCC[C@H]1NC(=O)C1CC1 83950173 573711848 /nfs/dbraw/zinc/71/18/48/573711848.db2.gz RFQWCGSTZIXOTR-GXSJLCMTSA-N 0 0 195.306 2.481 10 0 AEAERN CC(C)(CO)c1ccc(CCF)cc1 258096155 573711943 /nfs/dbraw/zinc/71/19/43/573711943.db2.gz OIFSNZYLBXGNJF-UHFFFAOYSA-N 0 0 196.265 2.469 10 0 AEAERN O[C@@]1(C2=CCCCC2)CCCOCC1 236547549 573711965 /nfs/dbraw/zinc/71/19/65/573711965.db2.gz QGVOHGYXGKMXAD-LBPRGKRZSA-N 0 0 196.290 2.418 10 0 AEAERN C[C@@]1(F)Cc2ccccc2[C@H]1O 238493222 573711992 /nfs/dbraw/zinc/71/19/92/573711992.db2.gz AHBRNEZBFQAFKJ-NXEZZACHSA-N 0 0 166.195 2.004 10 0 AEAERN C[C@@H]1Cc2ccc(C3(O)CC3)cc2C1 258096103 573712003 /nfs/dbraw/zinc/71/20/03/573712003.db2.gz OHLPLLZZLVMGID-SECBINFHSA-N 0 0 188.270 2.403 10 0 AEAERN COc1ccc([C@H](C)F)cc1CCO 258094821 573712017 /nfs/dbraw/zinc/71/20/17/573712017.db2.gz KALNLDQCNVMJMZ-QMMMGPOBSA-N 0 0 198.237 2.261 10 0 AEAERN CC(C)n1nccc1C1(O)CCCC1 75846927 573712018 /nfs/dbraw/zinc/71/20/18/573712018.db2.gz XEGRXOSKDHAMJN-UHFFFAOYSA-N 0 0 194.278 2.226 10 0 AEAERN Cc1cncc(OC2CCC2)c1 238493056 573712022 /nfs/dbraw/zinc/71/20/22/573712022.db2.gz UHYIMCAATPKRTA-UHFFFAOYSA-N 0 0 163.220 2.321 10 0 AEAERN Cc1ccccc1[C@@]1(C)CC[C@H]1O 238492414 573712033 /nfs/dbraw/zinc/71/20/33/573712033.db2.gz QKKOSWZPRNORRN-VXGBXAGGSA-N 0 0 176.259 2.407 10 0 AEAERN O[C@H](CC1CCC1)C1(O)CCCCC1 236557716 573712051 /nfs/dbraw/zinc/71/20/51/573712051.db2.gz AHRPWQWWNPAAJS-LLVKDONJSA-N 0 0 198.306 2.233 10 0 AEAERN O[C@@]1(C2=CCCCCC2)CCOC1 236547904 573714037 /nfs/dbraw/zinc/71/40/37/573714037.db2.gz NEBRDYWOUZXMBL-NSHDSACASA-N 0 0 182.263 2.028 10 0 AEAERN CON[C@H](C)c1cc(F)ccc1F 108278582 573714053 /nfs/dbraw/zinc/71/40/53/573714053.db2.gz IAWMKEJVUCRUBB-ZCFIWIBFSA-N 0 0 187.189 2.177 10 0 AEAERN CC(C)c1ccc(CCCO)c(O)c1 258101134 573714068 /nfs/dbraw/zinc/71/40/68/573714068.db2.gz OWKJUNXCSFEMRU-UHFFFAOYSA-N 0 0 194.274 2.441 10 0 AEAERN Cc1ccc([C@H]2C=CC(=O)O2)cc1 83963671 573714072 /nfs/dbraw/zinc/71/40/72/573714072.db2.gz WEAIAFJXJGBKNP-SNVBAGLBSA-N 0 0 174.199 2.149 10 0 AEAERN COc1cccc2c1[C@H](CCO)CC2 257854978 573714102 /nfs/dbraw/zinc/71/41/02/573714102.db2.gz PRYDYRKTOMJFIX-JTQLQIEISA-N 0 0 192.258 2.107 10 0 AEAERN C[C@H]1SCCC[C@@]1(O)c1ccco1 86968251 573714142 /nfs/dbraw/zinc/71/41/42/573714142.db2.gz AYCKNDQXGGOLRV-SCZZXKLOSA-N 0 0 198.287 2.383 10 0 AEAERN C/C=C/[C@@H](O)C1=CCCCC1 238032921 573714170 /nfs/dbraw/zinc/71/41/70/573714170.db2.gz QPRGMDNVQQBWAZ-GCEAOBNSSA-N 0 0 152.237 2.424 10 0 AEAERN C=C=C1C[C@H]2CC(=O)C[C@@H](C1)C2 238033213 573714186 /nfs/dbraw/zinc/71/41/86/573714186.db2.gz ATKNXPPCESEMLQ-AOOOYVTPSA-N 0 0 162.232 2.477 10 0 AEAERN C=C=C1CC[C@@H]2CCC(=O)C[C@@H]12 238032680 573714239 /nfs/dbraw/zinc/71/42/39/573714239.db2.gz QEYUCRQKFSOMFB-KOLCDFICSA-N 0 0 162.232 2.477 10 0 AEAERN CON[C@@H](C)c1cccc(F)c1 108278588 573714240 /nfs/dbraw/zinc/71/42/40/573714240.db2.gz JZDLGKWFYHXBBH-ZETCQYMHSA-N 0 0 169.199 2.038 10 0 AEAERN CC(C)c1[nH]c(CO)nc1C1CCC1 257854253 573714243 /nfs/dbraw/zinc/71/42/43/573714243.db2.gz PQLVZTFOIMLXNE-UHFFFAOYSA-N 0 0 194.278 2.293 10 0 AEAERN CSc1ccc(O)c(C2(O)CC2)c1 258096211 573714295 /nfs/dbraw/zinc/71/42/95/573714295.db2.gz OKOXJMIMZZPWFB-UHFFFAOYSA-N 0 0 196.271 2.096 10 0 AEAERN CC(C)SCc1ncc[nH]1 257855136 573714344 /nfs/dbraw/zinc/71/43/44/573714344.db2.gz CVHGURYTPGIMFK-UHFFFAOYSA-N 0 0 156.254 2.051 10 0 AEAERN Cc1oc(-c2ccco2)nc1C=O 238493358 573714377 /nfs/dbraw/zinc/71/43/77/573714377.db2.gz FJRPRHDFYFDZTC-UHFFFAOYSA-N 0 0 177.159 2.056 10 0 AEAERN CCCc1nc2cccc(Cl)n2n1 257854553 573714399 /nfs/dbraw/zinc/71/43/99/573714399.db2.gz AGUNWIMKKURIMK-UHFFFAOYSA-N 0 0 195.653 2.335 10 0 AEAERN O[C@H](C1=CCCCC1)c1ccncn1 236559872 573714463 /nfs/dbraw/zinc/71/44/63/573714463.db2.gz MNXJUXNQEXPGJU-LLVKDONJSA-N 0 0 190.246 2.010 10 0 AEAERN Cc1cc(O)c2[nH]c(C)cc2c1 238493031 573714544 /nfs/dbraw/zinc/71/45/44/573714544.db2.gz YKUBQWZJNRXVLG-UHFFFAOYSA-N 0 0 161.204 2.490 10 0 AEAERN CC(C)[C@@]1(O)CCCS[C@@H]1C 86968184 573714555 /nfs/dbraw/zinc/71/45/55/573714555.db2.gz VJHSYBIMSQUGSY-BDAKNGLRSA-N 0 0 174.309 2.289 10 0 AEAERN O[C@@]1(C2=CCCCCC2)CCCOC1 236547831 573714563 /nfs/dbraw/zinc/71/45/63/573714563.db2.gz RFWGZHMJTDVMQZ-LBPRGKRZSA-N 0 0 196.290 2.418 10 0 AEAERN Cc1ccccc1[C@@H]1C=CC(=O)O1 83963672 573714564 /nfs/dbraw/zinc/71/45/64/573714564.db2.gz HMHPJHCHMWPKJC-JTQLQIEISA-N 0 0 174.199 2.149 10 0 AEAERN O[C@H]1CCOC[C@H]1CC1CCCCC1 236560968 573714612 /nfs/dbraw/zinc/71/46/12/573714612.db2.gz SXDKCDFCYONMCX-NEPJUHHUSA-N 0 0 198.306 2.354 10 0 AEAERN CC(C)[C@]1(O)CCCS[C@H]1C 86968182 573714730 /nfs/dbraw/zinc/71/47/30/573714730.db2.gz VJHSYBIMSQUGSY-DTWKUNHWSA-N 0 0 174.309 2.289 10 0 AEAERN CC[C@@H]1CCC[C@]2(CC1)COC(N)=N2 83964770 573714734 /nfs/dbraw/zinc/71/47/34/573714734.db2.gz VYGABPIYBNIADF-KOLCDFICSA-N 0 0 196.294 2.060 10 0 AEAERN O[C@@]1(C2=CCCCCCC2)CCOC1 236548141 573714746 /nfs/dbraw/zinc/71/47/46/573714746.db2.gz KWJHJVAFGAPMNJ-LBPRGKRZSA-N 0 0 196.290 2.418 10 0 AEAERN C=C/C=C\C[C@H](O)/C=C\C 393554502 573714797 /nfs/dbraw/zinc/71/47/97/573714797.db2.gz OPBNGXCVOLZGMU-QWQQWMNXSA-N 0 0 138.210 2.056 10 0 AEAERN CCn1nc(C(C)=O)cc1CC(C)C 257855105 573714803 /nfs/dbraw/zinc/71/48/03/573714803.db2.gz PVFVEUJRGQTZFH-UHFFFAOYSA-N 0 0 194.278 2.304 10 0 AEAERN Cc1cccc([C@@H]([NH3+])[C@H](C)O)c1Cl 238493188 573714816 /nfs/dbraw/zinc/71/48/16/573714816.db2.gz MRISUIQYMQDRJU-XVKPBYJWSA-N 0 0 199.681 2.029 10 0 AEAERN Cc1nc2c([S-])c(N)ccc2s1 238493201 573714873 /nfs/dbraw/zinc/71/48/73/573714873.db2.gz CDQPFFMGQVDJPL-UHFFFAOYSA-N 0 0 196.300 2.476 10 0 AEAERN Cc1ncccc1-c1cccnc1N 715173312 573714874 /nfs/dbraw/zinc/71/48/74/573714874.db2.gz SIYXSHXLTVCSTD-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CC(C)C(=O)c1nc2ccccc2[nH]1 75854620 573714890 /nfs/dbraw/zinc/71/48/90/573714890.db2.gz WHQVMRNLUWABSA-UHFFFAOYSA-N 0 0 188.230 2.402 10 0 AEAERN O=C1CCC=C=CCCC1 197503867 573714895 /nfs/dbraw/zinc/71/48/95/573714895.db2.gz MWXBXFQLRDWMED-UHFFFAOYSA-N 0 0 136.194 2.231 10 0 AEAERN Cc1ccc2c(c1Cl)C(=O)OCC2 238492372 573714976 /nfs/dbraw/zinc/71/49/76/573714976.db2.gz QNEVIQWNCIUBCM-UHFFFAOYSA-N 0 0 196.633 2.361 10 0 AEAERN CCC/C=C\[C@H](C)[C@H](C)O 393554520 573714977 /nfs/dbraw/zinc/71/49/77/573714977.db2.gz WBDKCDWBUOMSLX-YYRDVDDBSA-N 0 0 142.242 2.360 10 0 AEAERN O[C@@H](CC/C=C/Cl)C1CC1 236551988 573715016 /nfs/dbraw/zinc/71/50/16/573715016.db2.gz OBECXTRTSUBSEF-HYTREOMXSA-N 0 0 160.644 2.290 10 0 AEAERN COCCCCOc1cccc(O)c1 130958978 573715087 /nfs/dbraw/zinc/71/50/87/573715087.db2.gz DWIXBPXNSCLYJE-UHFFFAOYSA-N 0 0 196.246 2.198 10 0 AEAERN O[C@H](CC1CC1)C1(O)CCCCCC1 236556144 573715110 /nfs/dbraw/zinc/71/51/10/573715110.db2.gz RZZQIZBQLSRNNZ-LLVKDONJSA-N 0 0 198.306 2.233 10 0 AEAERN NOCc1cc(F)cc(Cl)c1F 258098580 573715124 /nfs/dbraw/zinc/71/51/24/573715124.db2.gz OQBDLZSZKOXXIF-UHFFFAOYSA-N 0 0 193.580 2.009 10 0 AEAERN ONCc1ccc(C(F)F)c(F)c1 258098419 573715153 /nfs/dbraw/zinc/71/51/53/573715153.db2.gz ONJMPIOYRXJVRS-UHFFFAOYSA-N 0 0 191.152 2.242 10 0 AEAERN CC1(C)CCC[C@@]2(CC1)COC(N)=N2 83952606 573715190 /nfs/dbraw/zinc/71/51/90/573715190.db2.gz XKQVSRZXXLNJPX-LLVKDONJSA-N 0 0 196.294 2.060 10 0 AEAERN CC[C@@]1(O)CCCS[C@@H]1C 86967806 573715207 /nfs/dbraw/zinc/71/52/07/573715207.db2.gz DKVUWSUXQWRWSG-HTQZYQBOSA-N 0 0 160.282 2.043 10 0 AEAERN C[C@@H]1SCCC[C@]1(O)c1ccco1 86968255 573715265 /nfs/dbraw/zinc/71/52/65/573715265.db2.gz AYCKNDQXGGOLRV-WCBMZHEXSA-N 0 0 198.287 2.383 10 0 AEAERN CNC(=S)c1ccc(C)cc1C 75856817 573715269 /nfs/dbraw/zinc/71/52/69/573715269.db2.gz NPZWRDJVCVEXRV-UHFFFAOYSA-N 0 0 179.288 2.198 10 0 AEAERN CCc1nc(Cl)c2ncsc2n1 257855234 573715277 /nfs/dbraw/zinc/71/52/77/573715277.db2.gz NMWFJWMDHGDBHE-UHFFFAOYSA-N 0 0 199.666 2.302 10 0 AEAERN Cc1ccc(Cl)c(CCO)c1F 75856840 573715284 /nfs/dbraw/zinc/71/52/84/573715284.db2.gz KKHBWUYKDKIVSG-UHFFFAOYSA-N 0 0 188.629 2.322 10 0 AEAERN CC(C)c1c2c(O)cccc2nn1C 257854271 573715295 /nfs/dbraw/zinc/71/52/95/573715295.db2.gz PRJIKPYUHAXQDQ-UHFFFAOYSA-N 0 0 190.246 2.402 10 0 AEAERN C[C@@H]1Cc2c(Cl)ccc(O)c2C1=O 238492130 573715306 /nfs/dbraw/zinc/71/53/06/573715306.db2.gz AJEMVYANKHUDPE-RXMQYKEDSA-N 0 0 196.633 2.421 10 0 AEAERN C/C=C/[C@H]1/C(=C\Cl)C(=O)O[C@@H]1C 238040148 573715344 /nfs/dbraw/zinc/71/53/44/573715344.db2.gz RUPNUILQMRJQFF-ABNBNGLPSA-N 0 0 186.638 2.247 10 0 AEAERN Cc1ccc(N)c(C(=O)C(C)C)c1 75854517 573715393 /nfs/dbraw/zinc/71/53/93/573715393.db2.gz KTDPUAROUGYNIW-UHFFFAOYSA-N 0 0 177.247 2.416 10 0 AEAERN Cn1ccnc1[C@@H](O)CC1CCCC1 122265934 573715413 /nfs/dbraw/zinc/71/54/13/573715413.db2.gz LMHKCFYSYNZQKL-JTQLQIEISA-N 0 0 194.278 2.034 10 0 AEAERN C[C@@H]1SCCC[C@@]1(O)c1ccco1 86968252 573715415 /nfs/dbraw/zinc/71/54/15/573715415.db2.gz AYCKNDQXGGOLRV-WPRPVWTQSA-N 0 0 198.287 2.383 10 0 AEAERN C[C@H](O)Cc1cccc2c1[C@H](C)CO2 258097607 573715446 /nfs/dbraw/zinc/71/54/46/573715446.db2.gz NSVKNRZTZJTHCX-BDAKNGLRSA-N 0 0 192.258 2.106 10 0 AEAERN O=c1[nH]c(C2CCC2)cs1 258418217 573715487 /nfs/dbraw/zinc/71/54/87/573715487.db2.gz BQQIZXRHZKAYTJ-UHFFFAOYSA-N 0 0 155.222 2.116 10 0 AEAERN COc1cccc2c1[C@@H](CCO)CC2 257854979 573715523 /nfs/dbraw/zinc/71/55/23/573715523.db2.gz PRYDYRKTOMJFIX-SNVBAGLBSA-N 0 0 192.258 2.107 10 0 AEAERN Nc1ccc2c(Cl)c[nH]c2c1 108286343 573731145 /nfs/dbraw/zinc/73/11/45/573731145.db2.gz RWMAXIPFUBTHLH-UHFFFAOYSA-N 0 0 166.611 2.404 10 0 AEAERN CCc1ccccc1NCC(C)=O 144764546 573731146 /nfs/dbraw/zinc/73/11/46/573731146.db2.gz HQKRZHJDPJTJAH-UHFFFAOYSA-N 0 0 177.247 2.250 10 0 AEAERN Cc1nc2c(C)cc(O)cc2o1 238488621 573731209 /nfs/dbraw/zinc/73/12/09/573731209.db2.gz LGBBFWWSOJGICM-UHFFFAOYSA-N 0 0 163.176 2.150 10 0 AEAERN Cc1ccc(Cl)n2nccc12 238488509 573731215 /nfs/dbraw/zinc/73/12/15/573731215.db2.gz BAWQLLVNADNDNA-UHFFFAOYSA-N 0 0 166.611 2.296 10 0 AEAERN Cc1ncc2c(n1)[C@H]1C=CC=CC1=C2 224635260 573731854 /nfs/dbraw/zinc/73/18/54/573731854.db2.gz RQRALPXGDXQRBM-NSHDSACASA-N 0 0 182.226 2.392 10 0 AEAERN Cc1ccc(-c2nc3ccccn3n2)o1 258109774 573731224 /nfs/dbraw/zinc/73/12/24/573731224.db2.gz YPPSDNGHOONKLD-UHFFFAOYSA-N 0 0 199.213 2.298 10 0 AEAERN CC1(C)[C@H]2CCc3ccc(=O)[nH]c3[C@H]21 144756772 573731227 /nfs/dbraw/zinc/73/12/27/573731227.db2.gz CGDXHGFTGVOJIK-WPRPVWTQSA-N 0 0 189.258 2.061 10 0 AEAERN CCc1ccc2[nH]c(C(C)=O)nc2c1 124978915 573731285 /nfs/dbraw/zinc/73/12/85/573731285.db2.gz UVJXQCUDDRFRDD-UHFFFAOYSA-N 0 0 188.230 2.328 10 0 AEAERN O=C1C=C[C@H](c2ccc(Cl)cc2)O1 83983102 573731299 /nfs/dbraw/zinc/73/12/99/573731299.db2.gz ZPABRYKLHOHDBN-SECBINFHSA-N 0 0 194.617 2.494 10 0 AEAERN Cc1cc(C)cc([C@@H](F)CO)c1 108287133 573731324 /nfs/dbraw/zinc/73/13/24/573731324.db2.gz GSRGUFPIDLQTQT-JTQLQIEISA-N 0 0 168.211 2.306 10 0 AEAERN C[C@@H](O)Cc1coc2cccc(F)c12 257852088 573731330 /nfs/dbraw/zinc/73/13/30/573731330.db2.gz FGMYRRVUNLBJLJ-SSDOTTSWSA-N 0 0 194.205 2.495 10 0 AEAERN O[C@@H]1Cc2c(Br)cccc21 257852200 573731338 /nfs/dbraw/zinc/73/13/38/573731338.db2.gz MXXYPWRQHKQYDN-MRVPVSSYSA-N 0 0 199.047 2.039 10 0 AEAERN Cc1nccc(C(F)F)c1F 238488480 573731340 /nfs/dbraw/zinc/73/13/40/573731340.db2.gz BYCFQXHDOCLCCC-UHFFFAOYSA-N 0 0 161.126 2.467 10 0 AEAERN Nc1cnc(C2CC2)c(Cl)c1 144758840 573731341 /nfs/dbraw/zinc/73/13/41/573731341.db2.gz SRONKEWMBYHBEJ-UHFFFAOYSA-N 0 0 168.627 2.195 10 0 AEAERN CCOCc1cnc(C)n1C(C)C 258110771 573731344 /nfs/dbraw/zinc/73/13/44/573731344.db2.gz JBQMDARMMFGERD-UHFFFAOYSA-N 0 0 182.267 2.309 10 0 AEAERN Cc1ncc2c(n1)[C@@H]1C=CC=CC1=C2 224635216 573731384 /nfs/dbraw/zinc/73/13/84/573731384.db2.gz RQRALPXGDXQRBM-LLVKDONJSA-N 0 0 182.226 2.392 10 0 AEAERN CCC(=O)c1cc(O)ccc1F 223362446 573731388 /nfs/dbraw/zinc/73/13/88/573731388.db2.gz URXSYTCNNNRMET-UHFFFAOYSA-N 0 0 168.167 2.124 10 0 AEAERN Nc1cocc1-c1ccccc1O 258110749 573731394 /nfs/dbraw/zinc/73/13/94/573731394.db2.gz LKGYJSPXUJRTNV-UHFFFAOYSA-N 0 0 175.187 2.234 10 0 AEAERN Cc1nc2c(C)cc(O)c(C)c2o1 238488583 573731432 /nfs/dbraw/zinc/73/14/32/573731432.db2.gz JLGJNOUFRCCELD-UHFFFAOYSA-N 0 0 177.203 2.459 10 0 AEAERN Cc1ccc2c(c1C)CCOC2=O 238487847 573731454 /nfs/dbraw/zinc/73/14/54/573731454.db2.gz ZCXDAOBYQMPDLE-UHFFFAOYSA-N 0 0 176.215 2.016 10 0 AEAERN Cc1ccc2c(c1Cl)CCOC2=O 238487868 573731459 /nfs/dbraw/zinc/73/14/59/573731459.db2.gz XTKMQYUTEIUYEA-UHFFFAOYSA-N 0 0 196.633 2.361 10 0 AEAERN OC1(c2ccc(CC(F)F)cc2)CC1 258110934 573731469 /nfs/dbraw/zinc/73/14/69/573731469.db2.gz PPHFXDRNJFAPPW-UHFFFAOYSA-N 0 0 198.212 2.476 10 0 AEAERN NOCc1ccccc1OC1CCC1 258110995 573731493 /nfs/dbraw/zinc/73/14/93/573731493.db2.gz PPYILSGVBCDITO-UHFFFAOYSA-N 0 0 193.246 2.008 10 0 AEAERN C[C@@]12CCCC=C1CCC2=O 211149889 573731559 /nfs/dbraw/zinc/73/15/59/573731559.db2.gz XESVANBZXRHMRY-SNVBAGLBSA-N 0 0 150.221 2.466 10 0 AEAERN CC(C)=C[C@]1(C)OC[C@H](C)O1 238487448 573731565 /nfs/dbraw/zinc/73/15/65/573731565.db2.gz LDFPNBMVHFJLHI-DTWKUNHWSA-N 0 0 156.225 2.104 10 0 AEAERN Cc1cccc2nc(C(C)C)nn12 258112692 573731576 /nfs/dbraw/zinc/73/15/76/573731576.db2.gz YVRUCBUDFTWEIO-UHFFFAOYSA-N 0 0 175.235 2.161 10 0 AEAERN C[C@H]1CC2(CCCC2)C1=O 238487241 573731597 /nfs/dbraw/zinc/73/15/97/573731597.db2.gz GEBFJPKKNRCYIE-ZETCQYMHSA-N 0 0 138.210 2.156 10 0 AEAERN CC(C)c1nc(C=O)c2n1CCCC2 83982469 573731606 /nfs/dbraw/zinc/73/16/06/573731606.db2.gz OGGXXGLZKGCHQY-UHFFFAOYSA-N 0 0 192.262 2.155 10 0 AEAERN CCNc1ccc(O)c(Cl)c1 197582479 573731610 /nfs/dbraw/zinc/73/16/10/573731610.db2.gz GGCSGIYHCKOAIB-UHFFFAOYSA-N 0 0 171.627 2.477 10 0 AEAERN COc1c(C)cc(F)cc1[C@@H](C)CO 258110950 573731682 /nfs/dbraw/zinc/73/16/82/573731682.db2.gz LKEFXVSTAQTRED-QMMMGPOBSA-N 0 0 198.237 2.239 10 0 AEAERN COc1c(CON)cccc1[C@H](C)F 258111078 573731684 /nfs/dbraw/zinc/73/16/84/573731684.db2.gz LLXBSTDHURPLEU-ZETCQYMHSA-N 0 0 199.225 2.116 10 0 AEAERN NOCc1c[nH]c2cc(Cl)ccc12 258110636 573731723 /nfs/dbraw/zinc/73/17/23/573731723.db2.gz JACQQAWTGCOJNS-UHFFFAOYSA-N 0 0 196.637 2.212 10 0 AEAERN O=Cc1ccc(C2(O)CCCC2)cc1 257852568 573731724 /nfs/dbraw/zinc/73/17/24/573731724.db2.gz PGIVMIWAHVUBPR-UHFFFAOYSA-N 0 0 190.242 2.261 10 0 AEAERN CC(F)(F)C[C@@H]1CSC[C@H]1CO 258112042 573731828 /nfs/dbraw/zinc/73/18/28/573731828.db2.gz OWDBDLIGWXKQFL-RNFRBKRXSA-N 0 0 196.262 2.003 10 0 AEAERN CC(=O)N(C)c1ccc2c(c1)CCC2 258895902 573731896 /nfs/dbraw/zinc/73/18/96/573731896.db2.gz ZGWHYFRPDPAJFY-UHFFFAOYSA-N 0 0 189.258 2.158 10 0 AEAERN CCc1c(N)noc1[C@H]1CCCCO1 257851861 573731917 /nfs/dbraw/zinc/73/19/17/573731917.db2.gz PCAGXPFXLCGULJ-MRVPVSSYSA-N 0 0 196.250 2.061 10 0 AEAERN COc1c(C)cc(F)cc1[C@H](C)CO 258110945 573731922 /nfs/dbraw/zinc/73/19/22/573731922.db2.gz LKEFXVSTAQTRED-MRVPVSSYSA-N 0 0 198.237 2.239 10 0 AEAERN OC[C@@H](F)c1cccc(Cl)c1 108290898 573731945 /nfs/dbraw/zinc/73/19/45/573731945.db2.gz GFZKFZWKVWBSET-MRVPVSSYSA-N 0 0 174.602 2.343 10 0 AEAERN CC(=O)c1cccc2c1[C@H](C)CN2 258111704 573731974 /nfs/dbraw/zinc/73/19/74/573731974.db2.gz OQLXMOIWWPWFFV-SSDOTTSWSA-N 0 0 175.231 2.418 10 0 AEAERN Oc1cc2c(cc1Cl)COC2 108289254 573732001 /nfs/dbraw/zinc/73/20/01/573732001.db2.gz ILYOUGPQLAKIFN-UHFFFAOYSA-N 0 0 170.595 2.076 10 0 AEAERN CC[C@@H](C)N(C)C(=O)OC(C)C 126957635 573732002 /nfs/dbraw/zinc/73/20/02/573732002.db2.gz HVSFRIWJGUNTEB-MRVPVSSYSA-N 0 0 173.256 2.262 10 0 AEAERN CSc1cccc(F)c1CCO 258110946 573732005 /nfs/dbraw/zinc/73/20/05/573732005.db2.gz PPJYCYOEDQIWRF-UHFFFAOYSA-N 0 0 186.251 2.082 10 0 AEAERN CC(F)(F)C[C@H]1CSC[C@@H]1CO 258112039 573732051 /nfs/dbraw/zinc/73/20/51/573732051.db2.gz OWDBDLIGWXKQFL-BQBZGAKWSA-N 0 0 196.262 2.003 10 0 AEAERN CCCCCC(=O)NC(=N)CCC 308426285 573732061 /nfs/dbraw/zinc/73/20/61/573732061.db2.gz RLKPDPMGUSPGHI-UHFFFAOYSA-N 0 0 184.283 2.460 10 0 AEAERN Cc1ccc2c(c1)N[C@@H]1CC=C[C@H]1O2 238488913 573732127 /nfs/dbraw/zinc/73/21/27/573732127.db2.gz RWKJRQXRWLPSQB-MWLCHTKSSA-N 0 0 187.242 2.496 10 0 AEAERN CC(=O)c1cccc2c(C)onc12 108290952 573732130 /nfs/dbraw/zinc/73/21/30/573732130.db2.gz 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2.451 10 0 AEAERN O=C1CCC(CNc2ccc[nH]2)CC1 258901750 573745931 /nfs/dbraw/zinc/74/59/31/573745931.db2.gz LFGQOJJAKGLPFZ-UHFFFAOYSA-N 0 0 192.262 2.186 10 0 AEAERN CCn1cccc1Cl 144897376 573745933 /nfs/dbraw/zinc/74/59/33/573745933.db2.gz VCVZONLWRDZFGJ-UHFFFAOYSA-N 0 0 129.590 2.161 10 0 AEAERN CSc1ccc2c(n1)CCCC2=O 108303341 573745949 /nfs/dbraw/zinc/74/59/49/573745949.db2.gz XMPJBSHMKMKFOD-UHFFFAOYSA-N 0 0 193.271 2.323 10 0 AEAERN CC(=O)C1C[C@@H]2CC[C@H]2C1 238076008 573745950 /nfs/dbraw/zinc/74/59/50/573745950.db2.gz JJAPZTDFYHNNJD-YUMQZZPRSA-N 0 0 138.210 2.012 10 0 AEAERN Cc1nc(C(F)F)cc(F)c1N 238500665 573745952 /nfs/dbraw/zinc/74/59/52/573745952.db2.gz KYGBZIOGIKRGRV-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN C[C@H]1Nc2ccccc2[C@@]1(C)CCO 238501224 573745994 /nfs/dbraw/zinc/74/59/94/573745994.db2.gz OEYXHMFTFUWRCF-SKDRFNHKSA-N 0 0 191.274 2.141 10 0 AEAERN Nc1ccc(C2(n3ccnc3)CC2)cc1 74215006 573745995 /nfs/dbraw/zinc/74/59/95/573745995.db2.gz MVATZGYOUPOFQP-UHFFFAOYSA-N 0 0 199.257 2.003 10 0 AEAERN Cc1cnc(C(F)F)c(C)c1CO 238501055 573746005 /nfs/dbraw/zinc/74/60/05/573746005.db2.gz CWGINMITZSSPFU-UHFFFAOYSA-N 0 0 187.189 2.128 10 0 AEAERN C[C@@]1(c2ccccc2)CCC[C@@H]1O 238501520 573746037 /nfs/dbraw/zinc/74/60/37/573746037.db2.gz APYLVHBIJHPWRT-RYUDHWBXSA-N 0 0 176.259 2.489 10 0 AEAERN CC(=O)c1ccccc1-c1ccncn1 257873010 573746075 /nfs/dbraw/zinc/74/60/75/573746075.db2.gz QTPHGXKFNSRUIF-UHFFFAOYSA-N 0 0 198.225 2.346 10 0 AEAERN CCOc1ccc(C2(O)CC2)c(F)c1 258115935 573746111 /nfs/dbraw/zinc/74/61/11/573746111.db2.gz QANZVCCCTUIHOV-UHFFFAOYSA-N 0 0 196.221 2.206 10 0 AEAERN C/C=C/[C@H]1CCC(=O)[C@H]1C 238061291 573746184 /nfs/dbraw/zinc/74/61/84/573746184.db2.gz ZFZYSGQMNNMTQO-HENSLRDNSA-N 0 0 138.210 2.178 10 0 AEAERN O=Cc1cc(O)c2cc(F)ccc2c1 108300734 573746213 /nfs/dbraw/zinc/74/62/13/573746213.db2.gz ODZRCZYWIMBRQG-UHFFFAOYSA-N 0 0 190.173 2.497 10 0 AEAERN C/C=C1\c2ccccc2CC[C@H]1O 238075744 573746215 /nfs/dbraw/zinc/74/62/15/573746215.db2.gz HYVAGFAQAIFCQM-KBFMPZLNSA-N 0 0 174.243 2.397 10 0 AEAERN Cc1ccsc1[C@@]1(O)CCCOC1 87020746 573746217 /nfs/dbraw/zinc/74/62/17/573746217.db2.gz TWDOFXYCAFGRRQ-SNVBAGLBSA-N 0 0 198.287 2.055 10 0 AEAERN Cc1cc(C(F)F)c(C=O)nc1F 238501143 573746260 /nfs/dbraw/zinc/74/62/60/573746260.db2.gz MEBJVOKUTRQFCQ-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN Cc1cc(O)c(C=O)c2c1CCCC2 108300828 573746289 /nfs/dbraw/zinc/74/62/89/573746289.db2.gz DKWGLNCRVGYIQG-UHFFFAOYSA-N 0 0 190.242 2.392 10 0 AEAERN C[C@@]1(c2cccc(F)c2)CC[C@@H]1O 238500804 573746290 /nfs/dbraw/zinc/74/62/90/573746290.db2.gz QPHCXEKETABYGF-QWRGUYRKSA-N 0 0 180.222 2.238 10 0 AEAERN c1nc(C2CCCC2)c2nc[nH]c2n1 238061944 573746301 /nfs/dbraw/zinc/74/63/01/573746301.db2.gz WSCSDRDVTRUXQF-UHFFFAOYSA-N 0 0 188.234 2.011 10 0 AEAERN C[C@H]1Nc2sccc2-n2cncc21 238501947 573746430 /nfs/dbraw/zinc/74/64/30/573746430.db2.gz KQXKKTWORODIOA-ZCFIWIBFSA-N 0 0 191.259 2.420 10 0 AEAERN C[C@@]1(c2cccc(F)c2)CC[C@H]1O 238500845 573746449 /nfs/dbraw/zinc/74/64/49/573746449.db2.gz QPHCXEKETABYGF-MNOVXSKESA-N 0 0 180.222 2.238 10 0 AEAERN COc1ccc(NC2CCC2)c(N)c1 125021368 573746460 /nfs/dbraw/zinc/74/64/60/573746460.db2.gz BKNGOUPBDIUUEC-UHFFFAOYSA-N 0 0 192.262 2.242 10 0 AEAERN Cc1cnc(C(F)F)c(C=O)c1C 238501289 573746474 /nfs/dbraw/zinc/74/64/74/573746474.db2.gz HAAKXZIDQCSQSB-UHFFFAOYSA-N 0 0 185.173 2.449 10 0 AEAERN CNc1cccc(C2(C)COC2)c1 258900079 573746481 /nfs/dbraw/zinc/74/64/81/573746481.db2.gz UWMBTMBZSZSPQH-UHFFFAOYSA-N 0 0 177.247 2.016 10 0 AEAERN OCC1(c2ccc(O)c(Cl)c2)CC1 257862991 573746507 /nfs/dbraw/zinc/74/65/07/573746507.db2.gz WBKGWDJBUDQNGU-UHFFFAOYSA-N 0 0 198.649 2.070 10 0 AEAERN Cc1cnc(C(F)F)c(C)c1N 238501126 573746525 /nfs/dbraw/zinc/74/65/25/573746525.db2.gz ZABUKATZXJHMMR-UHFFFAOYSA-N 0 0 172.178 2.218 10 0 AEAERN CC(=O)NC1CC(C)(C)C(C)(C)C1 238076630 573746561 /nfs/dbraw/zinc/74/65/61/573746561.db2.gz FYCRMIDFMVKLDU-UHFFFAOYSA-N 0 0 183.295 2.337 10 0 AEAERN Cc1cc(C(F)F)c(C=O)nc1C 238501022 573746588 /nfs/dbraw/zinc/74/65/88/573746588.db2.gz JLDZGTRCCVNFDW-UHFFFAOYSA-N 0 0 185.173 2.449 10 0 AEAERN Cc1ccccc1[C@]1(C)CC[C@@H]1O 238497823 573747792 /nfs/dbraw/zinc/74/77/92/573747792.db2.gz QKKOSWZPRNORRN-RYUDHWBXSA-N 0 0 176.259 2.407 10 0 AEAERN Oc1cccc(CC2CCOCC2)c1 257863080 573747851 /nfs/dbraw/zinc/74/78/51/573747851.db2.gz RIYOFHIGVCXDQY-UHFFFAOYSA-N 0 0 192.258 2.361 10 0 AEAERN CC(=O)c1ccc(O)c2c1SCC2 238067271 573747860 /nfs/dbraw/zinc/74/78/60/573747860.db2.gz OPFYHNVCULEHFO-UHFFFAOYSA-N 0 0 194.255 2.243 10 0 AEAERN Cc1cc(C)c2c(N)cccc2n1 238497580 573747889 /nfs/dbraw/zinc/74/78/89/573747889.db2.gz BUMSJLYXRBSYPI-UHFFFAOYSA-N 0 0 172.231 2.434 10 0 AEAERN CONCc1cc2ccoc2cc1F 258116100 573747901 /nfs/dbraw/zinc/74/79/01/573747901.db2.gz QCTYXTQCSBVEDR-UHFFFAOYSA-N 0 0 195.193 2.223 10 0 AEAERN CC[C@H](CC1CC1)Nc1nnc(C)o1 308700349 573747908 /nfs/dbraw/zinc/74/79/08/573747908.db2.gz XOAGRSHTZLIPBL-SECBINFHSA-N 0 0 195.266 2.369 10 0 AEAERN C[C@H](O)[C@@H](F)C[C@@H]1CCCSC1 257863825 573747922 /nfs/dbraw/zinc/74/79/22/573747922.db2.gz RPZIPJCRBOLWIK-CIUDSAMLSA-N 0 0 192.299 2.239 10 0 AEAERN C/C=C/[C@]1(C)CCCC(=O)C[C@@H]1O 238066161 573747929 /nfs/dbraw/zinc/74/79/29/573747929.db2.gz ADYZZEOXUQSMLP-YBGSMITQSA-N 0 0 182.263 2.073 10 0 AEAERN Nc1ccc(C2(n3cccn3)CC2)cc1 74215016 573747937 /nfs/dbraw/zinc/74/79/37/573747937.db2.gz ROKYOFBJJWQTBW-UHFFFAOYSA-N 0 0 199.257 2.003 10 0 AEAERN COc1ccc(C)cc1[C@](C)(F)C[NH3+] 108307996 573747995 /nfs/dbraw/zinc/74/79/95/573747995.db2.gz WOKNUMPZEUWOSC-LLVKDONJSA-N 0 0 197.253 2.147 10 0 AEAERN CC1=C[C@H](c2ccccc2)N[C@H](C)N1 238497138 573748049 /nfs/dbraw/zinc/74/80/49/573748049.db2.gz WPJNNOKBAZBEPV-ZYHUDNBSSA-N 0 0 188.274 2.170 10 0 AEAERN Cc1cc(C)c(C(C)(C)CO)c(O)c1 258115999 573748065 /nfs/dbraw/zinc/74/80/65/573748065.db2.gz QBMIANHFPWQXKV-UHFFFAOYSA-N 0 0 194.274 2.279 10 0 AEAERN COCc1ccc(F)c(C(C)=O)c1 258116166 573748148 /nfs/dbraw/zinc/74/81/48/573748148.db2.gz QEFNQCHYQCTLSK-UHFFFAOYSA-N 0 0 182.194 2.175 10 0 AEAERN Cc1ccccc1-c1cc(N)cnn1 257873153 573748158 /nfs/dbraw/zinc/74/81/58/573748158.db2.gz DKRJSSIPOWNHLU-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN ONCc1cc(Cl)c2c(c1)CCC2 258116141 573748184 /nfs/dbraw/zinc/74/81/84/573748184.db2.gz QDNLTZVOSDRDKM-UHFFFAOYSA-N 0 0 197.665 2.308 10 0 AEAERN C/C=C/[C@](C)(O)[C@@H](O)c1ccccc1 238065968 573748189 /nfs/dbraw/zinc/74/81/89/573748189.db2.gz LRVUCFKLRHZOBB-ZSBMJCTGSA-N 0 0 192.258 2.047 10 0 AEAERN Cc1c(N)cc2c(c1C)OCCC2 238497197 573748259 /nfs/dbraw/zinc/74/82/59/573748259.db2.gz FMLKJFBFFICGJA-UHFFFAOYSA-N 0 0 177.247 2.211 10 0 AEAERN Cc1cc(OC(N)=O)c(C)c(C)c1C 238497448 573748266 /nfs/dbraw/zinc/74/82/66/573748266.db2.gz YJFPEJZAGKZHRB-UHFFFAOYSA-N 0 0 193.246 2.378 10 0 AEAERN C[C@H](O)[C@H](F)C[C@H]1CCCSC1 257863827 573748351 /nfs/dbraw/zinc/74/83/51/573748351.db2.gz RPZIPJCRBOLWIK-DJLDLDEBSA-N 0 0 192.299 2.239 10 0 AEAERN Brc1nocc1C1CC1 257863026 573748372 /nfs/dbraw/zinc/74/83/72/573748372.db2.gz WDLANBGGNGYCNP-UHFFFAOYSA-N 0 0 188.024 2.315 10 0 AEAERN CC[C@H](C)C(=O)c1ccnc(C)n1 125034179 573748383 /nfs/dbraw/zinc/74/83/83/573748383.db2.gz LSKLKKHIJVUKGA-ZETCQYMHSA-N 0 0 178.235 2.014 10 0 AEAERN CCC[C@H](NN)c1ccc(C)cc1F 126997198 573748397 /nfs/dbraw/zinc/74/83/97/573748397.db2.gz APFSHRVWUDWURK-NSHDSACASA-N 0 0 196.269 2.439 10 0 AEAERN C=C(NC(C)=O)c1ccccc1C 238064497 573748433 /nfs/dbraw/zinc/74/84/33/573748433.db2.gz LHNRYBHXPIJUMP-UHFFFAOYSA-N 0 0 175.231 2.102 10 0 AEAERN COc1ccc([C@@](C)(F)C[NH3+])cc1C 108308004 573748434 /nfs/dbraw/zinc/74/84/34/573748434.db2.gz PXDMFSHDTYOSJV-NSHDSACASA-N 0 0 197.253 2.147 10 0 AEAERN Cc1cc(OC(N)=O)cc(C)c1Cl 238497512 573750781 /nfs/dbraw/zinc/75/07/81/573750781.db2.gz XKNOWBCQCZRFFW-UHFFFAOYSA-N 0 0 199.637 2.414 10 0 AEAERN CC[C@@]1(C)C(=O)C[C@H]1OCC(F)F 131062150 573750826 /nfs/dbraw/zinc/75/08/26/573750826.db2.gz CDOPCIKMMJHHGN-APPZFPTMSA-N 0 0 192.205 2.026 10 0 AEAERN CC[C@@]1(CO)CCCCCC[C@H]1O 143300070 573750859 /nfs/dbraw/zinc/75/08/59/573750859.db2.gz NIHOHMHQQOMLSG-MNOVXSKESA-N 0 0 186.295 2.090 10 0 AEAERN Cc1c(F)cnc(C(F)F)c1O 238496664 573750941 /nfs/dbraw/zinc/75/09/41/573750941.db2.gz YMGIXCVIKSPIPL-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN Cc1c(C(F)F)cc(N)nc1F 238498125 573750965 /nfs/dbraw/zinc/75/09/65/573750965.db2.gz RLPMAGRTDKRTRS-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN C[C@]1(CCCO)C[C@@]1(C)Cl 238497150 573750975 /nfs/dbraw/zinc/75/09/75/573750975.db2.gz DYINBLQHFUIAHC-JGVFFNPUSA-N 0 0 162.660 2.166 10 0 AEAERN Cc1c(F)cnc(N)c1C(F)F 238497049 573750981 /nfs/dbraw/zinc/75/09/81/573750981.db2.gz MAQIETRNFJWRFH-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN Cc1cc(OC(N)=O)c(C)cc1Cl 238497471 573751000 /nfs/dbraw/zinc/75/10/00/573751000.db2.gz MZQQQWSVOXYMAR-UHFFFAOYSA-N 0 0 199.637 2.414 10 0 AEAERN COc1ccc(F)cc1-c1ccno1 259181773 573751081 /nfs/dbraw/zinc/75/10/81/573751081.db2.gz JZKDTLOQHCWODC-UHFFFAOYSA-N 0 0 193.177 2.489 10 0 AEAERN COc1cc(C)c([C@@H](F)C[NH3+])c(C)c1 108307981 573751090 /nfs/dbraw/zinc/75/10/90/573751090.db2.gz ZJRDQUNBDXFPQC-JTQLQIEISA-N 0 0 197.253 2.281 10 0 AEAERN C/C=C/[C@H]1O[C@H](O)c2ccccc21 238064297 573751104 /nfs/dbraw/zinc/75/11/04/573751104.db2.gz NKFKGNRCIQVTII-UJYZRXPGSA-N 0 0 176.215 2.325 10 0 AEAERN CC(C)Oc1ccc([C@@H](F)CO)cc1 257864798 573751136 /nfs/dbraw/zinc/75/11/36/573751136.db2.gz WPSJPMGDRPDTKN-NSHDSACASA-N 0 0 198.237 2.477 10 0 AEAERN CC[C@]1(CO)CCCCCCC1=O 143341239 573751180 /nfs/dbraw/zinc/75/11/80/573751180.db2.gz GCMPXGWQSWZCRA-LLVKDONJSA-N 0 0 184.279 2.298 10 0 AEAERN Cc1coc(-c2ccc(O)cc2)n1 238496613 573751191 /nfs/dbraw/zinc/75/11/91/573751191.db2.gz CWKBFPVSHGXNMK-UHFFFAOYSA-N 0 0 175.187 2.356 10 0 AEAERN CCN1C(=O)Cc2c(Cl)cccc21 258116304 573751195 /nfs/dbraw/zinc/75/11/95/573751195.db2.gz OXDAEGFHBSGFAJ-UHFFFAOYSA-N 0 0 195.649 2.249 10 0 AEAERN N#COc1cccc(Br)c1 238066572 573751246 /nfs/dbraw/zinc/75/12/46/573751246.db2.gz YBIHXCFKRBDRQP-UHFFFAOYSA-N 0 0 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184.327 2.445 10 0 AEAERN Cn1cccc1[C@@H]1CCCCC1=O 238511433 573773333 /nfs/dbraw/zinc/77/33/33/573773333.db2.gz RULBGRKPNQLHPR-VIFPVBQESA-N 0 0 177.247 2.252 10 0 AEAERN OCC1(Sc2ccc(F)cc2)CC1 259179720 573773398 /nfs/dbraw/zinc/77/33/98/573773398.db2.gz IGZAYBLKZRYGAD-UHFFFAOYSA-N 0 0 198.262 2.443 10 0 AEAERN CC(=O)c1cc(Cc2ccco2)on1 259180844 573773422 /nfs/dbraw/zinc/77/34/22/573773422.db2.gz JPSBZLPMEVFNBY-UHFFFAOYSA-N 0 0 191.186 2.061 10 0 AEAERN C[C@@]1(C2CCCCCC2)COC(=O)N1 257875402 573773431 /nfs/dbraw/zinc/77/34/31/573773431.db2.gz ULHMRAFIWYJGCK-NSHDSACASA-N 0 0 197.278 2.455 10 0 AEAERN CCC(C)(C)Oc1ccnc(CO)c1 40883722 573773433 /nfs/dbraw/zinc/77/34/33/573773433.db2.gz PKGAMDLRZQWYSF-UHFFFAOYSA-N 0 0 195.262 2.141 10 0 AEAERN Cc1ccc([C@@H]2CCC(=O)N2)c(F)c1 238511156 573773457 /nfs/dbraw/zinc/77/34/57/573773457.db2.gz JWZGKNJLORTOEZ-JTQLQIEISA-N 0 0 193.221 2.085 10 0 AEAERN CCC[C@@H](C)N[C@@H](C)c1noc(C)n1 308716418 573773458 /nfs/dbraw/zinc/77/34/58/573773458.db2.gz BHRIUBNBNQNYBQ-SFYZADRCSA-N 0 0 197.282 2.217 10 0 AEAERN Cc1nccc([C@@H](O)CC2CCC2)n1 125071137 573773472 /nfs/dbraw/zinc/77/34/72/573773472.db2.gz CFZJYXZHOKHNQJ-NSHDSACASA-N 0 0 192.262 2.009 10 0 AEAERN Cc1ccc2c(c1)CC[C@@H](O)[C@H]2C 259181220 573773533 /nfs/dbraw/zinc/77/35/33/573773533.db2.gz IFXRCQLYMPSRKQ-JOYOIKCWSA-N 0 0 176.259 2.406 10 0 AEAERN CCCc1cn2c(OC)cccc2n1 257874416 573773538 /nfs/dbraw/zinc/77/35/38/573773538.db2.gz DOLHGMBFTFWLFQ-UHFFFAOYSA-N 0 0 190.246 2.295 10 0 AEAERN CC(C)(C)c1cnc2c(O)cccn12 257874413 573773553 /nfs/dbraw/zinc/77/35/53/573773553.db2.gz UFUYEJRESKDMCI-UHFFFAOYSA-N 0 0 190.246 2.337 10 0 AEAERN Oc1ccc2c(c1)NCC21CCC1 259620770 573773598 /nfs/dbraw/zinc/77/35/98/573773598.db2.gz FGWCFLTWQFFDFZ-UHFFFAOYSA-N 0 0 175.231 2.239 10 0 AEAERN Cc1cc(C(F)F)cc(F)n1 238511557 573773607 /nfs/dbraw/zinc/77/36/07/573773607.db2.gz TUEUEGYKRGXJQJ-UHFFFAOYSA-N 0 0 161.126 2.467 10 0 AEAERN C/C(=C\C[NH2+][C@H](C)CC(C)C)C(=O)[O-] 308435425 573773651 /nfs/dbraw/zinc/77/36/51/573773651.db2.gz MJDMNROZERPIQH-NAZIUFLLSA-N 0 0 199.294 2.042 10 0 AEAERN CC(C)(C)OC(=O)n1ccc(F)c1 108365495 573773685 /nfs/dbraw/zinc/77/36/85/573773685.db2.gz QQTJUNOODIRARR-UHFFFAOYSA-N 0 0 185.198 2.410 10 0 AEAERN Nc1cncc(CNc2ccccc2)c1 257875051 573773701 /nfs/dbraw/zinc/77/37/01/573773701.db2.gz RCDVBJZOQPXTHV-UHFFFAOYSA-N 0 0 199.257 2.276 10 0 AEAERN Cc1cc(C(F)F)c(=O)[nH]c1F 238510205 573773715 /nfs/dbraw/zinc/77/37/15/573773715.db2.gz WPOOVTSJADOWKF-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN CCc1nc(C2CC2)c(CO)s1 82435140 573773800 /nfs/dbraw/zinc/77/38/00/573773800.db2.gz RGVXCCIWPLTGAE-UHFFFAOYSA-N 0 0 183.276 2.075 10 0 AEAERN COC(=O)[C@H](F)c1cc(C)ccc1C 257874375 573773808 /nfs/dbraw/zinc/77/38/08/573773808.db2.gz UFGOYLWGIZPKTC-SNVBAGLBSA-N 0 0 196.221 2.487 10 0 AEAERN CO[C@H](c1sccc1C)N(C)C 259180208 573773858 /nfs/dbraw/zinc/77/38/58/573773858.db2.gz NBPGBCBTTFDYCX-SECBINFHSA-N 0 0 185.292 2.263 10 0 AEAERN C[C@H]1SCc2ccccc2NC1=O 238511182 573773866 /nfs/dbraw/zinc/77/38/66/573773866.db2.gz RULMBPUDPVKTFH-SSDOTTSWSA-N 0 0 193.271 2.260 10 0 AEAERN C[C@H](CO)c1ccc2ccn(C)c2c1 257875259 573773875 /nfs/dbraw/zinc/77/38/75/573773875.db2.gz IXAIHOVKJHYNID-SECBINFHSA-N 0 0 189.258 2.274 10 0 AEAERN CO[C@@H](c1sccc1C)N(C)C 259180209 573773926 /nfs/dbraw/zinc/77/39/26/573773926.db2.gz NBPGBCBTTFDYCX-VIFPVBQESA-N 0 0 185.292 2.263 10 0 AEAERN COc1ccc([C@@H](C)CO)c(C)c1 257875298 573773939 /nfs/dbraw/zinc/77/39/39/573773939.db2.gz ZANCASBONDVBOO-VIFPVBQESA-N 0 0 180.247 2.099 10 0 AEAERN ONCc1ccc(SC2CC2)cc1 258126585 573773953 /nfs/dbraw/zinc/77/39/53/573773953.db2.gz RDPUGOVJUMCBQH-UHFFFAOYSA-N 0 0 195.287 2.420 10 0 AEAERN Cc1cc(F)c2c(c1)C1(CC1)C(=O)N2 238511819 573775057 /nfs/dbraw/zinc/77/50/57/573775057.db2.gz KFDMMRWTLMDKIU-UHFFFAOYSA-N 0 0 191.205 2.118 10 0 AEAERN C/C(=C/C(=O)[O-])C[NH2+]CCCC(C)C 308435692 573775087 /nfs/dbraw/zinc/77/50/87/573775087.db2.gz NAMUAMAYITYFNK-YFHOEESVSA-N 0 0 199.294 2.043 10 0 AEAERN C[C@@H](CO)CC1CCCC1 84141740 573775162 /nfs/dbraw/zinc/77/51/62/573775162.db2.gz RDTNBYMHOCJWTH-MRVPVSSYSA-N 0 0 142.242 2.195 10 0 AEAERN Cc1ccc([C@@H]2CCC(=O)C2)nc1 238511044 573775172 /nfs/dbraw/zinc/77/51/72/573775172.db2.gz UWQUJIXWUUAVTP-SECBINFHSA-N 0 0 175.231 2.227 10 0 AEAERN CCc1cc(Cl)cc(C=O)c1O 108365957 573775199 /nfs/dbraw/zinc/77/51/99/573775199.db2.gz OEWNEADNKXOPHD-UHFFFAOYSA-N 0 0 184.622 2.421 10 0 AEAERN Cc1nc(C)c(C(F)F)cc1C[NH3+] 238510282 573775250 /nfs/dbraw/zinc/77/52/50/573775250.db2.gz BXHAOGROIDUIIA-UHFFFAOYSA-N 0 0 186.205 2.095 10 0 AEAERN COc1ccc([C@@H](C)O)c2cc[nH]c12 258126579 573775252 /nfs/dbraw/zinc/77/52/52/573775252.db2.gz RDOVXCUBRAYDQP-SSDOTTSWSA-N 0 0 191.230 2.230 10 0 AEAERN CCC[C@H](C)[C@@H](NN)C1CCCC1 127107400 573775328 /nfs/dbraw/zinc/77/53/28/573775328.db2.gz CALOLVPUEOCHJC-GXSJLCMTSA-N 0 0 184.327 2.445 10 0 AEAERN C[C@@H]1CC(=O)C[C@H](CCCCO)C1 238499243 573775383 /nfs/dbraw/zinc/77/53/83/573775383.db2.gz GPCVBLUCKCLSMS-VHSXEESVSA-N 0 0 184.279 2.154 10 0 AEAERN CCC[C@H](C)N[C@@H](C)c1noc(C)n1 308716419 573775387 /nfs/dbraw/zinc/77/53/87/573775387.db2.gz BHRIUBNBNQNYBQ-YUMQZZPRSA-N 0 0 197.282 2.217 10 0 AEAERN O=Cc1cc(F)cc(Cl)c1F 108365986 573775398 /nfs/dbraw/zinc/77/53/98/573775398.db2.gz JFUPTDVDELCDKB-UHFFFAOYSA-N 0 0 176.549 2.431 10 0 AEAERN Cc1cc2ccc(O)c(C)c2[nH]1 238510404 573775406 /nfs/dbraw/zinc/77/54/06/573775406.db2.gz GVOCTRHZBBOYMF-UHFFFAOYSA-N 0 0 161.204 2.490 10 0 AEAERN Nc1ccccc1C[C@@H]1CCCOC1 257874500 573775407 /nfs/dbraw/zinc/77/54/07/573775407.db2.gz UIOQNUWOMHYDNJ-JTQLQIEISA-N 0 0 191.274 2.238 10 0 AEAERN COCCCC(=O)[C@@H](C)C1CC1 122608332 573775446 /nfs/dbraw/zinc/77/54/46/573775446.db2.gz CVGPMHIDCGJIKM-QMMMGPOBSA-N 0 0 170.252 2.028 10 0 AEAERN COc1cc(Cl)c(F)c(C=O)c1 108365998 573775454 /nfs/dbraw/zinc/77/54/54/573775454.db2.gz QUSNTOCJBQJNTE-UHFFFAOYSA-N 0 0 188.585 2.300 10 0 AEAERN CCc1cccc(C(F)(F)CO)c1 257875274 573775456 /nfs/dbraw/zinc/77/54/56/573775456.db2.gz YZWGGUNYDDZRRN-UHFFFAOYSA-N 0 0 186.201 2.333 10 0 AEAERN Cc1cc2cccc(C)c(=O)c2o1 238511010 573775551 /nfs/dbraw/zinc/77/55/51/573775551.db2.gz AKFZLAIHDCXECR-UHFFFAOYSA-N 0 0 174.199 2.410 10 0 AEAERN CC(=O)[C@]12CCC[C@H]1C[C@@H]2C 238511697 573775558 /nfs/dbraw/zinc/77/55/58/573775558.db2.gz RMDRSHDEPHJENU-UJNFCWOMSA-N 0 0 152.237 2.402 10 0 AEAERN Cc1ccc([C@@H]2CC(=S)N2)cc1 238510492 573775618 /nfs/dbraw/zinc/77/56/18/573775618.db2.gz IPRSJVVCENDIIH-VIFPVBQESA-N 0 0 177.272 2.357 10 0 AEAERN C[C@H](CO)CC1CCCC1 84141737 573775625 /nfs/dbraw/zinc/77/56/25/573775625.db2.gz RDTNBYMHOCJWTH-QMMMGPOBSA-N 0 0 142.242 2.195 10 0 AEAERN COc1ccccc1-c1coc(=O)[nH]1 257874421 573775637 /nfs/dbraw/zinc/77/56/37/573775637.db2.gz UGBUHPXUHJGBTA-UHFFFAOYSA-N 0 0 191.186 2.056 10 0 AEAERN COc1ccccc1-c1c[nH]cc1N 258127979 573775639 /nfs/dbraw/zinc/77/56/39/573775639.db2.gz NJXDBOWZVWTISE-UHFFFAOYSA-N 0 0 188.230 2.273 10 0 AEAERN Cc1c(OC2CCCC2)cnn1C 238510659 573775661 /nfs/dbraw/zinc/77/56/61/573775661.db2.gz UDSZLUSJENBZHQ-UHFFFAOYSA-N 0 0 180.251 2.050 10 0 AEAERN Cc1ccc([C@@H]2CCC(=O)O2)c(O)c1 238511486 573775713 /nfs/dbraw/zinc/77/57/13/573775713.db2.gz CPCFTSRKGSJJIC-JTQLQIEISA-N 0 0 192.214 2.079 10 0 AEAERN Cc1cc2c(cc1C)[C@@H](O)[C@H](C)O2 84150225 573781915 /nfs/dbraw/zinc/78/19/15/573781915.db2.gz DORYTSAPLXDZOZ-KWQFWETISA-N 0 0 178.231 2.118 10 0 AEAERN CCCC[C@H](O)c1ncccc1F 131181446 573781922 /nfs/dbraw/zinc/78/19/22/573781922.db2.gz VEDUHMDZDISJBQ-VIFPVBQESA-N 0 0 183.226 2.444 10 0 AEAERN Cc1ccc2c(c1C)O[C@@H](C)[C@@H]2O 84150243 573781945 /nfs/dbraw/zinc/78/19/45/573781945.db2.gz YGPKAGXATCKWPJ-WPRPVWTQSA-N 0 0 178.231 2.118 10 0 AEAERN CC[C@H]1Oc2ccc(F)cc2[C@@H]1O 84150092 573781971 /nfs/dbraw/zinc/78/19/71/573781971.db2.gz UNNVSKVGRSGGTL-SCZZXKLOSA-N 0 0 182.194 2.030 10 0 AEAERN Cc1ccc(Cl)c2c1OC[C@@H]2O 84150970 573781978 /nfs/dbraw/zinc/78/19/78/573781978.db2.gz DBWNHFXURRTAHR-ZETCQYMHSA-N 0 0 184.622 2.074 10 0 AEAERN CNc1nc(-c2ccc[nH]2)cs1 84147602 573782020 /nfs/dbraw/zinc/78/20/20/573782020.db2.gz LOXJXMOEUYDLDA-UHFFFAOYSA-N 0 0 179.248 2.180 10 0 AEAERN CC1=NN(C(C)(C)C)C(=O)[C@@H]1C(C)C 108373701 573782037 /nfs/dbraw/zinc/78/20/37/573782037.db2.gz CBZQWACVWOMMDO-SECBINFHSA-N 0 0 196.294 2.275 10 0 AEAERN Cc1ccc(Cl)c2c1OCC[C@H]2O 84150964 573782071 /nfs/dbraw/zinc/78/20/71/573782071.db2.gz VLWOMGUHHBNWBC-MRVPVSSYSA-N 0 0 198.649 2.464 10 0 AEAERN Cc1ccc(F)c2c1[C@@H](O)CCCO2 84150942 573782098 /nfs/dbraw/zinc/78/20/98/573782098.db2.gz DNQKIFOOYOOKGV-VIFPVBQESA-N 0 0 196.221 2.340 10 0 AEAERN CSc1nc(C)c(F)c(Cl)n1 108373246 573782106 /nfs/dbraw/zinc/78/21/06/573782106.db2.gz RBOVQISYSHFNTA-UHFFFAOYSA-N 0 0 192.646 2.299 10 0 AEAERN Cc1cc2c(cc1C)[C@H](O)[C@@H](C)O2 84150226 573782122 /nfs/dbraw/zinc/78/21/22/573782122.db2.gz DORYTSAPLXDZOZ-LDYMZIIASA-N 0 0 178.231 2.118 10 0 AEAERN Cc1ccc(C)c2c1O[C@H](C)[C@@H]2O 84150213 573782168 /nfs/dbraw/zinc/78/21/68/573782168.db2.gz FYHNBYVORPJPQP-SCZZXKLOSA-N 0 0 178.231 2.118 10 0 AEAERN C1=C[C@@]2(CCCO2)[C@]2(C=C1)CCCO2 238112443 573782175 /nfs/dbraw/zinc/78/21/75/573782175.db2.gz WZVGKRROOTXFDR-TXEJJXNPSA-N 0 0 192.258 2.211 10 0 AEAERN CC[C@@H]1Oc2c(F)ccc(C)c2[C@@H]1O 84150955 573782179 /nfs/dbraw/zinc/78/21/79/573782179.db2.gz VRTVGJYXHLGESX-WCBMZHEXSA-N 0 0 196.221 2.339 10 0 AEAERN Cc1cc(SC(C)(C)C)nc(N)n1 84148500 573782219 /nfs/dbraw/zinc/78/22/19/573782219.db2.gz UQAAFONHAGDXFF-UHFFFAOYSA-N 0 0 197.307 2.258 10 0 AEAERN Cc1c(-c2ccccc2O)cnn1C 257877221 573782224 /nfs/dbraw/zinc/78/22/24/573782224.db2.gz USZJKGCGSNVPJN-UHFFFAOYSA-N 0 0 188.230 2.101 10 0 AEAERN C[C@@]1(O)CCc2c[nH]c3cccc1c23 238502949 573782228 /nfs/dbraw/zinc/78/22/28/573782228.db2.gz WLTTVPRLYDOLQT-GFCCVEGCSA-N 0 0 187.242 2.322 10 0 AEAERN Cc1ccc2c(c1)C[C@@H]([C@H](C)CO)C2 257877268 573782253 /nfs/dbraw/zinc/78/22/53/573782253.db2.gz UVTXZZTXHPDQEX-PWSUYJOCSA-N 0 0 190.286 2.338 10 0 AEAERN CC(=O)[C@]1(C)Oc2cc(C)ccc21 238111305 573782263 /nfs/dbraw/zinc/78/22/63/573782263.db2.gz KNSKJYBHFRHSPW-NSHDSACASA-N 0 0 176.215 2.192 10 0 AEAERN C[C@@]1(c2ccccc2F)CCC1=O 238503826 573782306 /nfs/dbraw/zinc/78/23/06/573782306.db2.gz WPWHNNFLGXHXLD-NSHDSACASA-N 0 0 178.206 2.446 10 0 AEAERN CCc1cccc2c1OCCC[C@@H]2O 84150669 573782322 /nfs/dbraw/zinc/78/23/22/573782322.db2.gz PWZWIIQORSQUNP-NSHDSACASA-N 0 0 192.258 2.455 10 0 AEAERN Cc1cc(Cl)c2c(c1)[C@H](O)[C@H](C)O2 84150845 573782384 /nfs/dbraw/zinc/78/23/84/573782384.db2.gz IKOOZEASSJXZRB-IMTBSYHQSA-N 0 0 198.649 2.463 10 0 AEAERN Cc1cc(Cl)c2c(c1)[C@@H](O)CCO2 84150837 573782404 /nfs/dbraw/zinc/78/24/04/573782404.db2.gz KRSVOHMCCFLODM-VIFPVBQESA-N 0 0 198.649 2.464 10 0 AEAERN CCCC[C@H](C)C(=O)N(C)OCC 308437405 573782405 /nfs/dbraw/zinc/78/24/05/573782405.db2.gz XIBYNFKWFWCVAI-VIFPVBQESA-N 0 0 187.283 2.223 10 0 AEAERN CCc1cccc2c1O[C@H](C)[C@@H]2O 84150676 573782412 /nfs/dbraw/zinc/78/24/12/573782412.db2.gz XHLJBADZBQGNDF-XCBNKYQSSA-N 0 0 178.231 2.063 10 0 AEAERN C[C@@]1(O)CC[C@H]2CNc3cccc1c32 238502651 573782416 /nfs/dbraw/zinc/78/24/16/573782416.db2.gz CLUQKJKONLBNSU-QPUJVOFHSA-N 0 0 189.258 2.197 10 0 AEAERN CCc1cccc2c1O[C@H](C)[C@H]2O 84150678 573782419 /nfs/dbraw/zinc/78/24/19/573782419.db2.gz XHLJBADZBQGNDF-GMSGAONNSA-N 0 0 178.231 2.063 10 0 AEAERN Cc1ccc2c(c1)C[C@H]([C@@H](C)CO)C2 257877265 573782422 /nfs/dbraw/zinc/78/24/22/573782422.db2.gz UVTXZZTXHPDQEX-CMPLNLGQSA-N 0 0 190.286 2.338 10 0 AEAERN CC(C)(C)c1ccc2c(c1)[C@@H](O)CO2 84150461 573782428 /nfs/dbraw/zinc/78/24/28/573782428.db2.gz YZDQKXFPIPNHQZ-JTQLQIEISA-N 0 0 192.258 2.410 10 0 AEAERN COc1cc(C(C)=O)c(OC)cc1F 108374709 573782440 /nfs/dbraw/zinc/78/24/40/573782440.db2.gz VKDYQMBVDWAPFZ-UHFFFAOYSA-N 0 0 198.193 2.046 10 0 AEAERN Cc1cc(Cl)cc2c1OC[C@@H]2O 84150128 573782447 /nfs/dbraw/zinc/78/24/47/573782447.db2.gz ZEGLVNKNUWHPCN-QMMMGPOBSA-N 0 0 184.622 2.074 10 0 AEAERN C[C@@H]1Oc2c(Cl)cccc2[C@H]1O 84150077 573782455 /nfs/dbraw/zinc/78/24/55/573782455.db2.gz UXAXNOWUWCCTQX-XNCJUZBTSA-N 0 0 184.622 2.154 10 0 AEAERN CCCc1ccc2c(c1)[C@@H](O)[C@@H](C)O2 84150829 573782460 /nfs/dbraw/zinc/78/24/60/573782460.db2.gz BITKPDIRRGYLSF-PELKAZGASA-N 0 0 192.258 2.453 10 0 AEAERN CCc1ccc2c(c1)[C@H](O)[C@@H](CC)O2 84150480 573782475 /nfs/dbraw/zinc/78/24/75/573782475.db2.gz HUEWQUIQFYMJKG-PWSUYJOCSA-N 0 0 192.258 2.453 10 0 AEAERN Cc1ccc(Cl)c2c1O[C@@H](C)[C@@H]2O 84150973 573782502 /nfs/dbraw/zinc/78/25/02/573782502.db2.gz GELYJQGHXXUUKO-RCOVLWMOSA-N 0 0 198.649 2.463 10 0 AEAERN C[C@H]1Oc2c(Cl)cccc2[C@H]1O 84150076 573782510 /nfs/dbraw/zinc/78/25/10/573782510.db2.gz UXAXNOWUWCCTQX-XRGYYRRGSA-N 0 0 184.622 2.154 10 0 AEAERN Cc1cc2c(cc1C)[C@H](O)CCO2 84150218 573782602 /nfs/dbraw/zinc/78/26/02/573782602.db2.gz HIOKIUAXTGQSMX-SNVBAGLBSA-N 0 0 178.231 2.119 10 0 AEAERN C[C@@H](C[C@@H](C)NN)CC(C)(C)C 127162934 573782616 /nfs/dbraw/zinc/78/26/16/573782616.db2.gz IWXYYKRAVCBVLU-DTWKUNHWSA-N 0 0 172.316 2.301 10 0 AEAERN Cc1cc2c(NO)coc2cc1O 238503409 573782677 /nfs/dbraw/zinc/78/26/77/573782677.db2.gz OWXIDXBLJVRJCP-UHFFFAOYSA-N 0 0 179.175 2.248 10 0 AEAERN CC(C)[C@]12C=C[C@@H]1C(=O)CC2 100264521 573783882 /nfs/dbraw/zinc/78/38/82/573783882.db2.gz WUMJHGSJNJRTFU-PSASIEDQSA-N 0 0 150.221 2.178 10 0 AEAERN CCCn1cc(/C=C(\CC)CO)cn1 308437120 573783893 /nfs/dbraw/zinc/78/38/93/573783893.db2.gz QTHAOTLEWCVHCO-UXBLZVDNSA-N 0 0 194.278 2.079 10 0 AEAERN CC(=O)CSC1=CCCC1 238111582 573783905 /nfs/dbraw/zinc/78/39/05/573783905.db2.gz YHICDSSIVUHZBC-UHFFFAOYSA-N 0 0 156.250 2.376 10 0 AEAERN Cc1ccc(F)c(N[C@H](C)[C@H](C)O)c1 87127312 573783909 /nfs/dbraw/zinc/78/39/09/573783909.db2.gz VJKDYWVKEDSCJM-BDAKNGLRSA-N 0 0 197.253 2.315 10 0 AEAERN O[C@@H](CCC1CCOCC1)CC1CC1 308741567 573784468 /nfs/dbraw/zinc/78/44/68/573784468.db2.gz OZPKNQKSIJFAOP-LBPRGKRZSA-N 0 0 198.306 2.354 10 0 AEAERN CC[C@H]1CO[C@@H](C(C)C)OC1 100251217 573784484 /nfs/dbraw/zinc/78/44/84/573784484.db2.gz LOVWNVWPXIBGIX-KYZUINATSA-N 0 0 158.241 2.042 10 0 AEAERN COC/C(=C\[C@H](C)O)c1ccccc1 308436745 573784516 /nfs/dbraw/zinc/78/45/16/573784516.db2.gz QDIRHQMYWMVZAZ-MJWAUXSNSA-N 0 0 192.258 2.097 10 0 AEAERN Cc1ccc(N[C@H](C)[C@@H](C)O)c(F)c1 87127276 573784536 /nfs/dbraw/zinc/78/45/36/573784536.db2.gz XNCOFVNCUXJSGK-RKDXNWHRSA-N 0 0 197.253 2.315 10 0 AEAERN Cc1ccc2c(c1)CC[C@@H]2CCO 238503573 573783933 /nfs/dbraw/zinc/78/39/33/573783933.db2.gz YEAVNLTZMVSOIJ-SNVBAGLBSA-N 0 0 176.259 2.407 10 0 AEAERN CCN[C@@H](C=C(C)C)C(F)(F)F 131090692 573783944 /nfs/dbraw/zinc/78/39/44/573783944.db2.gz WNVLOEALJPDBBF-ZETCQYMHSA-N 0 0 181.201 2.493 10 0 AEAERN Cc1ccc(N[C@H](C)[C@H](C)O)c(F)c1 87127281 573784003 /nfs/dbraw/zinc/78/40/03/573784003.db2.gz XNCOFVNCUXJSGK-BDAKNGLRSA-N 0 0 197.253 2.315 10 0 AEAERN O=[S@](c1cccc(F)c1)C(F)F 87114000 573784050 /nfs/dbraw/zinc/78/40/50/573784050.db2.gz OLVGGNWWBKOFDJ-LBPRGKRZSA-N 0 0 194.177 2.156 10 0 AEAERN Cc1ccc2c(c1)C=C[C@H](O)S2 238502888 573784053 /nfs/dbraw/zinc/78/40/53/573784053.db2.gz FSXNQRGGAJBRAP-SNVBAGLBSA-N 0 0 178.256 2.432 10 0 AEAERN C[C@@]1(c2ccccc2F)CC[C@@H]1O 238503874 573784068 /nfs/dbraw/zinc/78/40/68/573784068.db2.gz POGLKLDCCNGCBK-QWRGUYRKSA-N 0 0 180.222 2.238 10 0 AEAERN O=[S@@](c1cccc(F)c1)C(F)F 87114004 573784133 /nfs/dbraw/zinc/78/41/33/573784133.db2.gz OLVGGNWWBKOFDJ-GFCCVEGCSA-N 0 0 194.177 2.156 10 0 AEAERN CCc1ccccc1N[C@H](C)[C@@H](C)O 87126996 573784161 /nfs/dbraw/zinc/78/41/61/573784161.db2.gz YERGESRFHXLUNC-NXEZZACHSA-N 0 0 193.290 2.430 10 0 AEAERN C[C@]12CCC(=O)C[C@H]1CCS2 238503141 573784184 /nfs/dbraw/zinc/78/41/84/573784184.db2.gz WAKMIKSWQAQPMV-APPZFPTMSA-N 0 0 170.277 2.251 10 0 AEAERN c1nc2ccc3c(c2s1)OCCO3 238112844 573784217 /nfs/dbraw/zinc/78/42/17/573784217.db2.gz FYHVYAJGAWYJAR-UHFFFAOYSA-N 0 0 193.227 2.068 10 0 AEAERN C[C@@H]1C(=O)CC[C@@H]1c1ccc(O)cc1 238513830 573784266 /nfs/dbraw/zinc/78/42/66/573784266.db2.gz SUGLHVNNKKDINR-KWQFWETISA-N 0 0 190.242 2.475 10 0 AEAERN CCC[S@](=O)c1cccc(F)c1 87114133 573784274 /nfs/dbraw/zinc/78/42/74/573784274.db2.gz ADFQDHNCVBGWBQ-GFCCVEGCSA-N 0 0 186.251 2.343 10 0 AEAERN CCOc1n[nH]c(C2CCCCC2)n1 87117112 573784279 /nfs/dbraw/zinc/78/42/79/573784279.db2.gz APIJMTUWUXVHBP-UHFFFAOYSA-N 0 0 195.266 2.251 10 0 AEAERN CCC[C@H]1C[C@@]1(O)c1cccnc1C 87123660 573784301 /nfs/dbraw/zinc/78/43/01/573784301.db2.gz ZINWUVVZFRXVRZ-JQWIXIFHSA-N 0 0 191.274 2.398 10 0 AEAERN COC/C(=C\[C@@H](C)O)c1ccccc1 308436746 573784315 /nfs/dbraw/zinc/78/43/15/573784315.db2.gz QDIRHQMYWMVZAZ-ZDIKFAODSA-N 0 0 192.258 2.097 10 0 AEAERN CCOc1nc2cc(F)c(F)cc2[nH]1 87117199 573784344 /nfs/dbraw/zinc/78/43/44/573784344.db2.gz VMWVMHAGVJWSJF-UHFFFAOYSA-N 0 0 198.172 2.240 10 0 AEAERN CC(C)C1=N[C@@](C)(C(C)C)NC1=S 238112470 573784366 /nfs/dbraw/zinc/78/43/66/573784366.db2.gz ACXKJVBXJPJJJB-SNVBAGLBSA-N 0 0 198.335 2.386 10 0 AEAERN Cc1ccc(F)cc1N[C@@H](C)[C@H](C)O 87126951 573784397 /nfs/dbraw/zinc/78/43/97/573784397.db2.gz QEFKQYWGSVWHRV-IUCAKERBSA-N 0 0 197.253 2.315 10 0 AEAERN CC(C)(CO)C(=O)C1CCCCC1 238109745 573784409 /nfs/dbraw/zinc/78/44/09/573784409.db2.gz QDYFBYSKFJGCFV-UHFFFAOYSA-N 0 0 184.279 2.154 10 0 AEAERN CC(C)C1=C[C@H]2CCC(=O)[C@@H]12 100264560 573784453 /nfs/dbraw/zinc/78/44/53/573784453.db2.gz DBPQQBNBFAKHEE-GMSGAONNSA-N 0 0 150.221 2.178 10 0 AEAERN C[C@H](CCC1CCCCC1)NN 127183946 573784455 /nfs/dbraw/zinc/78/44/55/573784455.db2.gz XRWHGWORBNQHMD-SECBINFHSA-N 0 0 170.300 2.199 10 0 AEAERN Cc1ccc(N[C@@H](C)[C@H](C)O)c(F)c1 87127279 573787090 /nfs/dbraw/zinc/78/70/90/573787090.db2.gz XNCOFVNCUXJSGK-IUCAKERBSA-N 0 0 197.253 2.315 10 0 AEAERN Cc1cc2nc(Cl)ncc2o1 238518103 573787122 /nfs/dbraw/zinc/78/71/22/573787122.db2.gz WCUDRVHEBJCYQC-UHFFFAOYSA-N 0 0 168.583 2.185 10 0 AEAERN C[C@@H](O)/C=C1\CCc2ccccc21 388445084 573787141 /nfs/dbraw/zinc/78/71/41/573787141.db2.gz JWRWLQCEBSUFRP-FJUNDMEASA-N 0 0 174.243 2.397 10 0 AEAERN O=Cc1cccc(Nc2ccncn2)c1 258130202 573787163 /nfs/dbraw/zinc/78/71/63/573787163.db2.gz QGRBQFZXYWITCI-UHFFFAOYSA-N 0 0 199.213 2.033 10 0 AEAERN C[C@@H](CO)c1coc2ccc(O)cc12 257878054 573787192 /nfs/dbraw/zinc/78/71/92/573787192.db2.gz JHDZBWKJGRQOOO-ZETCQYMHSA-N 0 0 192.214 2.234 10 0 AEAERN COc1nc2cc(Cl)ccc2[nH]1 87117215 573787205 /nfs/dbraw/zinc/78/72/05/573787205.db2.gz GTMCJWGDBLAUHZ-UHFFFAOYSA-N 0 0 182.610 2.225 10 0 AEAERN Cc1ccc(NC2=NCCCO2)cc1 238518255 573787211 /nfs/dbraw/zinc/78/72/11/573787211.db2.gz ZYAAHEGOSREDLM-UHFFFAOYSA-N 0 0 190.246 2.183 10 0 AEAERN COc1nc2cc(C)c(C)cc2[nH]1 87117196 573787214 /nfs/dbraw/zinc/78/72/14/573787214.db2.gz DOTYFTNRXIVBNY-UHFFFAOYSA-N 0 0 176.219 2.188 10 0 AEAERN CCC(CC)n1cc(C=O)cn1 40931591 573787244 /nfs/dbraw/zinc/78/72/44/573787244.db2.gz FIUTZDSLOATCCL-UHFFFAOYSA-N 0 0 166.224 2.057 10 0 AEAERN Cc1nc(N)oc1Cc1cccs1 258514681 573787245 /nfs/dbraw/zinc/78/72/45/573787245.db2.gz FSXWMRSLILPILP-UHFFFAOYSA-N 0 0 194.259 2.218 10 0 AEAERN CC(C)=C(CC(N)=O)c1ccccc1 238114040 573787278 /nfs/dbraw/zinc/78/72/78/573787278.db2.gz SXFHSYLTKAVGLH-UHFFFAOYSA-N 0 0 189.258 2.355 10 0 AEAERN C[C@H](O)[C@@H](C)Nc1ccc(F)cc1 87126848 573787283 /nfs/dbraw/zinc/78/72/83/573787283.db2.gz HWCZJUXDTWZTFM-SFYZADRCSA-N 0 0 183.226 2.007 10 0 AEAERN Cc1ccc(N[C@@H](C)[C@@H](C)O)cc1F 87126980 573787302 /nfs/dbraw/zinc/78/73/02/573787302.db2.gz JUBMMMNYNDZTNH-DTWKUNHWSA-N 0 0 197.253 2.315 10 0 AEAERN CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C1CC1 238114744 573787305 /nfs/dbraw/zinc/78/73/05/573787305.db2.gz PWYXXMIBUCJRJT-RKDXNWHRSA-N 0 0 197.278 2.310 10 0 AEAERN COCCCC[C@H]1CCCC[C@@H]1O 131099441 573787327 /nfs/dbraw/zinc/78/73/27/573787327.db2.gz IIOHGAMYNDOKKN-MNOVXSKESA-N 0 0 186.295 2.354 10 0 AEAERN CSCC[C@H](C)Nc1cccnn1 127203984 573787330 /nfs/dbraw/zinc/78/73/30/573787330.db2.gz ILTRIMLBZWEEDR-QMMMGPOBSA-N 0 0 197.307 2.030 10 0 AEAERN C[C@@H](O)[C@@H](C)Nc1ccccc1F 87126882 573787342 /nfs/dbraw/zinc/78/73/42/573787342.db2.gz IRXAGMIWGKIHEH-HTQZYQBOSA-N 0 0 183.226 2.007 10 0 AEAERN C[C@H]1C[C@@]2(C)C=C[C@@H]1CC2=O 238516917 573787420 /nfs/dbraw/zinc/78/74/20/573787420.db2.gz AXZJITXMGBMDTE-QXFUBDJGSA-N 0 0 150.221 2.178 10 0 AEAERN CCc1ccccc1N[C@@H](C)[C@@H](C)O 87126992 573787421 /nfs/dbraw/zinc/78/74/21/573787421.db2.gz YERGESRFHXLUNC-VHSXEESVSA-N 0 0 193.290 2.430 10 0 AEAERN Cc1c(N)cc(Cl)c(O)c1F 238517630 573787426 /nfs/dbraw/zinc/78/74/26/573787426.db2.gz IFRDJXOWDTVIEP-UHFFFAOYSA-N 0 0 175.590 2.075 10 0 AEAERN CCC[C@@H]1C[C@@]1(O)c1cccnc1C 87123656 573787471 /nfs/dbraw/zinc/78/74/71/573787471.db2.gz ZINWUVVZFRXVRZ-PWSUYJOCSA-N 0 0 191.274 2.398 10 0 AEAERN CC(C)[C@@H](CO)C1(C2CCC2)COC1 259185572 573787478 /nfs/dbraw/zinc/78/74/78/573787478.db2.gz KDDULYCEZOBWOP-LLVKDONJSA-N 0 0 198.306 2.068 10 0 AEAERN C[C@H](Nc1ccccc1F)[C@@H](C)O 87126880 573787491 /nfs/dbraw/zinc/78/74/91/573787491.db2.gz IRXAGMIWGKIHEH-JGVFFNPUSA-N 0 0 183.226 2.007 10 0 AEAERN COCCCC[C@@H]1CCCC[C@H]1O 131099624 573787505 /nfs/dbraw/zinc/78/75/05/573787505.db2.gz IIOHGAMYNDOKKN-WDEREUQCSA-N 0 0 186.295 2.354 10 0 AEAERN CCc1ccccc1N[C@@H](C)[C@H](C)O 87126997 573787559 /nfs/dbraw/zinc/78/75/59/573787559.db2.gz YERGESRFHXLUNC-UWVGGRQHSA-N 0 0 193.290 2.430 10 0 AEAERN Cc1ccc(N[C@@H](C)[C@@H](C)O)c(F)c1 87127274 573787644 /nfs/dbraw/zinc/78/76/44/573787644.db2.gz XNCOFVNCUXJSGK-DTWKUNHWSA-N 0 0 197.253 2.315 10 0 AEAERN CC(C)[S@@](=O)c1cccc(F)c1 87114137 573787680 /nfs/dbraw/zinc/78/76/80/573787680.db2.gz KTJYHHVPWMZGKN-LBPRGKRZSA-N 0 0 186.251 2.342 10 0 AEAERN CNc1cc(-c2ccc(C)o2)n(C)n1 259187429 573787778 /nfs/dbraw/zinc/78/77/78/573787778.db2.gz MMHBFHZOTKNZEK-UHFFFAOYSA-N 0 0 191.234 2.030 10 0 AEAERN CCC[C@H]1C[C@]1(O)c1cccnc1C 87123652 573787796 /nfs/dbraw/zinc/78/77/96/573787796.db2.gz ZINWUVVZFRXVRZ-CMPLNLGQSA-N 0 0 191.274 2.398 10 0 AEAERN CCCC[C@@H](CC)[C@@H](C)NN 127177700 573787797 /nfs/dbraw/zinc/78/77/97/573787797.db2.gz STTFWORRYGFCII-RKDXNWHRSA-N 0 0 158.289 2.055 10 0 AEAERN CCCC[C@H](CC)[C@H](C)NN 127178350 573787816 /nfs/dbraw/zinc/78/78/16/573787816.db2.gz STTFWORRYGFCII-IUCAKERBSA-N 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JDLJWCPVXBRVQL-UHFFFAOYSA-N 0 0 177.272 2.290 10 0 AEAERN Cc1ccc(OCCCCF)c(N)n1 393668841 573794492 /nfs/dbraw/zinc/79/44/92/573794492.db2.gz BJWBJNZCZQFLAQ-UHFFFAOYSA-N 0 0 198.241 2.101 10 0 AEAERN CC(C)Cc1n[nH]c2cccc(O)c12 257878378 573794523 /nfs/dbraw/zinc/79/45/23/573794523.db2.gz VAGVEDBWTPMRIS-UHFFFAOYSA-N 0 0 190.246 2.467 10 0 AEAERN CC(C)=C1CCC(=O)[C@@H](F)C1 238120198 573794637 /nfs/dbraw/zinc/79/46/37/573794637.db2.gz RPOPRHXPXAYOJW-QMMMGPOBSA-N 0 0 156.200 2.414 10 0 AEAERN CC(C)C1(C)CC(=O)C1 238102694 573794658 /nfs/dbraw/zinc/79/46/58/573794658.db2.gz UUFXCJXBJZXCRR-UHFFFAOYSA-N 0 0 126.199 2.012 10 0 AEAERN COc1ccc([C@H](C)[C@H](C)O)c(C)c1 87142268 573794794 /nfs/dbraw/zinc/79/47/94/573794794.db2.gz QKNTVWPBHBZNQY-ZJUUUORDSA-N 0 0 194.274 2.488 10 0 AEAERN Cc1cc2nccn2c(C)c1C 238520766 573794800 /nfs/dbraw/zinc/79/48/00/573794800.db2.gz ZENQXKRRIXNCRB-UHFFFAOYSA-N 0 0 160.220 2.260 10 0 AEAERN CC(C)C1=C(C(N)=O)C[C@@H](C)CC1 238104619 573794805 /nfs/dbraw/zinc/79/48/05/573794805.db2.gz CFFLRAKMWSYKPZ-QMMMGPOBSA-N 0 0 181.279 2.244 10 0 AEAERN CC(C)(C)Oc1ccc(O)cc1O 238120169 573794815 /nfs/dbraw/zinc/79/48/15/573794815.db2.gz MRHNNACATDASRD-UHFFFAOYSA-N 0 0 182.219 2.275 10 0 AEAERN Cc1cc(C(F)F)ncc1F 238521401 573794852 /nfs/dbraw/zinc/79/48/52/573794852.db2.gz AMRMVZXKVLPTNH-UHFFFAOYSA-N 0 0 161.126 2.467 10 0 AEAERN Cc1cccc(/C=C2/CCC(=O)N2)c1 238521367 573794877 /nfs/dbraw/zinc/79/48/77/573794877.db2.gz QHXZXRKOCMETRZ-FLIBITNWSA-N 0 0 187.242 2.246 10 0 AEAERN CC[C@](C)(O)/C=C\[C@@H](O)c1ccco1 308441973 573794923 /nfs/dbraw/zinc/79/49/23/573794923.db2.gz FZFIURAYZDRNIM-FCMDYUIFSA-N 0 0 196.246 2.030 10 0 AEAERN COc1ccc([C@@H](C)[C@H](C)O)c(C)c1 87142265 573794941 /nfs/dbraw/zinc/79/49/41/573794941.db2.gz QKNTVWPBHBZNQY-UWVGGRQHSA-N 0 0 194.274 2.488 10 0 AEAERN COc1ccc2c(c1)[C@H](F)CN2 258426259 573794990 /nfs/dbraw/zinc/79/49/90/573794990.db2.gz CLOCQQZWCUKDAP-MRVPVSSYSA-N 0 0 167.183 2.131 10 0 AEAERN Cc1ccc2c(c1)N[C@H](CCO)CC2 257878406 573795053 /nfs/dbraw/zinc/79/50/53/573795053.db2.gz VAMQZGDYTPQVOF-NSHDSACASA-N 0 0 191.274 2.104 10 0 AEAERN Cc1nc(Cl)c2occ(C)c2n1 238520834 573795108 /nfs/dbraw/zinc/79/51/08/573795108.db2.gz SWYWRWUASOKVHH-UHFFFAOYSA-N 0 0 182.610 2.493 10 0 AEAERN CC(C)(C)[C@@H]1C(=O)[C@@H]2CC=C[C@@H]21 238104902 573795123 /nfs/dbraw/zinc/79/51/23/573795123.db2.gz RZHYQRAOBFYVRB-YIZRAAEISA-N 0 0 164.248 2.424 10 0 AEAERN CC(C)(C)NC(=S)OC(C)(C)C 238102342 573795160 /nfs/dbraw/zinc/79/51/60/573795160.db2.gz VLEFPZZNTZTFSG-UHFFFAOYSA-N 0 0 189.324 2.475 10 0 AEAERN Cc1cc(C(F)F)ncc1O 238521515 573795227 /nfs/dbraw/zinc/79/52/27/573795227.db2.gz GPRDQAZBLMHHNF-UHFFFAOYSA-N 0 0 159.135 2.033 10 0 AEAERN CC(C)(C)Oc1cc(O)cc(C=O)c1 238119581 573795382 /nfs/dbraw/zinc/79/53/82/573795382.db2.gz PZBXTGSRBODHSC-UHFFFAOYSA-N 0 0 194.230 2.382 10 0 AEAERN Cc1cnc(CO)c(C)c1C(F)F 238521421 573795412 /nfs/dbraw/zinc/79/54/12/573795412.db2.gz VWCMMRRVGADXHM-UHFFFAOYSA-N 0 0 187.189 2.128 10 0 AEAERN Cc1cc2nccn2cc1OC1CC1 238520952 573795420 /nfs/dbraw/zinc/79/54/20/573795420.db2.gz HWXOKSMIRLXODK-UHFFFAOYSA-N 0 0 188.230 2.184 10 0 AEAERN CC(C)N1CCNc2cccc(O)c21 259191417 573795444 /nfs/dbraw/zinc/79/54/44/573795444.db2.gz KEEGUXWVBNRZBM-UHFFFAOYSA-N 0 0 192.262 2.033 10 0 AEAERN Cc1c(-c2ccccc2F)c1=O 258944656 573795469 /nfs/dbraw/zinc/79/54/69/573795469.db2.gz YLCNBYDOGJHREB-UHFFFAOYSA-N 0 0 162.163 2.037 10 0 AEAERN O[C@H](CC1CCCCC1)[C@H](O)C1CC1 78642292 573795495 /nfs/dbraw/zinc/79/54/95/573795495.db2.gz OZLWCKSASASDMJ-VXGBXAGGSA-N 0 0 198.306 2.089 10 0 AEAERN O=C(C(F)F)[C@@H]1C[C@H]2CC[C@@H]1C2 238520201 573795598 /nfs/dbraw/zinc/79/55/98/573795598.db2.gz GPQFXOKFKAZCEK-RRKCRQDMSA-N 0 0 174.190 2.257 10 0 AEAERN C[C@@H]1SCC(=O)[C@H]1C 108620172 573795756 /nfs/dbraw/zinc/79/57/56/573795756.db2.gz VMIKOGIFTVMMDX-WHFBIAKZSA-N 0 0 130.212 2.157 10 0 AEAERN Cc1cc([C@H](O)c2ccccc2)on1 238521037 573795785 /nfs/dbraw/zinc/79/57/85/573795785.db2.gz 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/nfs/dbraw/zinc/79/60/47/573796047.db2.gz VMIKOGIFTVMMDX-UHNVWZDZSA-N 0 0 130.212 2.157 10 0 AEAERN Cc1ccc(C(=O)[C@H](CO)C(C)C)o1 259189356 573796090 /nfs/dbraw/zinc/79/60/90/573796090.db2.gz RBIJVQOYJHHQNM-SECBINFHSA-N 0 0 196.246 2.035 10 0 AEAERN CC(C)C1(CO)C=CCC=C1 238103490 573796098 /nfs/dbraw/zinc/79/60/98/573796098.db2.gz KHSSWJKOLXEPJE-UHFFFAOYSA-N 0 0 152.237 2.137 10 0 AEAERN CCOC(=O)N(C)C1(C)CCCC1 308442217 573796136 /nfs/dbraw/zinc/79/61/36/573796136.db2.gz ZJMMSXGTLJPUJQ-UHFFFAOYSA-N 0 0 185.267 2.407 10 0 AEAERN COC(=O)C=CNc1ccc(C)cc1 308441766 573796156 /nfs/dbraw/zinc/79/61/56/573796156.db2.gz JMJGMIXGBBOFEF-FPLPWBNLSA-N 0 0 191.230 2.094 10 0 AEAERN Cc1ccc2c(CO)c(C)[nH]c2c1 238520126 573796216 /nfs/dbraw/zinc/79/62/16/573796216.db2.gz BMSDPXVYTHEPNH-UHFFFAOYSA-N 0 0 175.231 2.277 10 0 AEAERN CCOC(=O)C[C@@H]1CS[C@H](C)C1 259570644 573803822 /nfs/dbraw/zinc/80/38/22/573803822.db2.gz JEMGIPUTLOQSDN-HTQZYQBOSA-N 0 0 188.292 2.081 10 0 AEAERN COC(=O)[C@@H](CC(C)C)n1cccc1 43437061 573803826 /nfs/dbraw/zinc/80/38/26/573803826.db2.gz VPOWNZZBOJLXPO-SNVBAGLBSA-N 0 0 195.262 2.248 10 0 AEAERN CCN(CC)C(=O)/C=C\C1CCC1 308439657 573803839 /nfs/dbraw/zinc/80/38/39/573803839.db2.gz YJNVGYVUQKVJRA-HJWRWDBZSA-N 0 0 181.279 2.211 10 0 AEAERN CC(C)=C1C=C[C@H]2CC(=O)C[C@H]12 238128116 573803840 /nfs/dbraw/zinc/80/38/40/573803840.db2.gz RXTTXRYRIWDLNM-KWQFWETISA-N 0 0 162.232 2.488 10 0 AEAERN CO[C@@H](CO)c1cccc(Cl)c1 257878798 573803845 /nfs/dbraw/zinc/80/38/45/573803845.db2.gz LPXSOGAJHGDPKQ-VIFPVBQESA-N 0 0 186.638 2.020 10 0 AEAERN CCOC(=O)C[C@H]1CS[C@@H](C)C1 259570650 573803862 /nfs/dbraw/zinc/80/38/62/573803862.db2.gz JEMGIPUTLOQSDN-YUMQZZPRSA-N 0 0 188.292 2.081 10 0 AEAERN C[C@H]1[C@@H]2CCC[C@@]23CCC(=O)[C@@H]13 238516455 573803881 /nfs/dbraw/zinc/80/38/81/573803881.db2.gz FQFPXVODBPLDRW-OINDSLJFSA-N 0 0 164.248 2.402 10 0 AEAERN CO[C@H](CO)c1cccc(Cl)c1 257878793 573803914 /nfs/dbraw/zinc/80/39/14/573803914.db2.gz LPXSOGAJHGDPKQ-SECBINFHSA-N 0 0 186.638 2.020 10 0 AEAERN O=C(NC(F)(F)F)C1=CCCCC1 238515572 573803916 /nfs/dbraw/zinc/80/39/16/573803916.db2.gz LVWPTXHNUVJBSZ-UHFFFAOYSA-N 0 0 193.168 2.123 10 0 AEAERN CON[C@@H](C)c1ccc(F)cc1F 108661792 573803919 /nfs/dbraw/zinc/80/39/19/573803919.db2.gz BVZILVCGJXKOCN-LURJTMIESA-N 0 0 187.189 2.177 10 0 AEAERN Nc1ccc(SCCCCO)cc1 43444909 573803925 /nfs/dbraw/zinc/80/39/25/573803925.db2.gz NOWWUHJLMQGLTK-UHFFFAOYSA-N 0 0 197.303 2.133 10 0 AEAERN CC/C=C\C(=O)N(C)c1nccs1 308439744 573803926 /nfs/dbraw/zinc/80/39/26/573803926.db2.gz YMMVODCNHFDOCD-PLNGDYQASA-N 0 0 196.275 2.072 10 0 AEAERN Cc1ccc(N)c(N2CC[C@H](C)C2)c1 87149801 573803978 /nfs/dbraw/zinc/80/39/78/573803978.db2.gz RJSDZYXZNQUSAT-JTQLQIEISA-N 0 0 190.290 2.423 10 0 AEAERN Cc1cc(CO)c2occc2c1 238528175 573804003 /nfs/dbraw/zinc/80/40/03/573804003.db2.gz KBBYMTTXJRPWEJ-UHFFFAOYSA-N 0 0 162.188 2.234 10 0 AEAERN Cn1c2ccccc2c2cc(N)ncc21 258132557 573804004 /nfs/dbraw/zinc/80/40/04/573804004.db2.gz QKTMUHAOICMYHU-UHFFFAOYSA-N 0 0 197.241 2.309 10 0 AEAERN c1cncc(-c2ncc3ccccn23)c1 258133625 573804052 /nfs/dbraw/zinc/80/40/52/573804052.db2.gz ZZDVLFWNCDLNSS-UHFFFAOYSA-N 0 0 195.225 2.396 10 0 AEAERN CSCCNc1cc(C)ccc1N 87150234 573804062 /nfs/dbraw/zinc/80/40/62/573804062.db2.gz SPQAMNPTUZBWNS-UHFFFAOYSA-N 0 0 196.319 2.352 10 0 AEAERN CCC(CC)(CO)C(C)C 87155576 573804118 /nfs/dbraw/zinc/80/41/18/573804118.db2.gz GYYUTWOIXUASHL-UHFFFAOYSA-N 0 0 144.258 2.441 10 0 AEAERN Cc1ccc(F)cc1NCCCCO 43445383 573804138 /nfs/dbraw/zinc/80/41/38/573804138.db2.gz CPKYDEDQUOCCOW-UHFFFAOYSA-N 0 0 197.253 2.319 10 0 AEAERN Cc1cc(C[C@@H](C)O)c(F)cc1F 258133637 573804143 /nfs/dbraw/zinc/80/41/43/573804143.db2.gz RQDLMSJUNVIMCP-SSDOTTSWSA-N 0 0 186.201 2.197 10 0 AEAERN Cc1cccc(C)c1-n1cc(N)cn1 238516254 573804205 /nfs/dbraw/zinc/80/42/05/573804205.db2.gz QDEMUNJRCSERSK-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN CCc1ccccc1NCCCCO 43445387 573804276 /nfs/dbraw/zinc/80/42/76/573804276.db2.gz AVAOYPUACADDLH-UHFFFAOYSA-N 0 0 193.290 2.433 10 0 AEAERN COc1nc(C)cc2ccc(N)cc12 258135425 573804300 /nfs/dbraw/zinc/80/43/00/573804300.db2.gz KOWQKQOQJVMQRY-UHFFFAOYSA-N 0 0 188.230 2.134 10 0 AEAERN Cn1ccc([C@@H](O)c2ccccc2)c1 238515952 573804332 /nfs/dbraw/zinc/80/43/32/573804332.db2.gz QIDFSRSBJGVPNC-LBPRGKRZSA-N 0 0 187.242 2.107 10 0 AEAERN CC(=O)[C@H](C)[C@]1(C)C[C@@H]1C 238515936 573804390 /nfs/dbraw/zinc/80/43/90/573804390.db2.gz KQZWVYKERFCCGK-ACLDMZEESA-N 0 0 140.226 2.258 10 0 AEAERN CSc1cc(C)ccc1CCON 258133778 573804415 /nfs/dbraw/zinc/80/44/15/573804415.db2.gz RTYMWCAVSDTWTK-UHFFFAOYSA-N 0 0 197.303 2.150 10 0 AEAERN COC(=O)[C@@]1(C(C)(C)C)C[C@@H]1C 258957063 573804425 /nfs/dbraw/zinc/80/44/25/573804425.db2.gz GCNKHKKQVKGIKS-OIBJUYFYSA-N 0 0 170.252 2.232 10 0 AEAERN C[Si](C)(C)/C=C1\CCC[C@H]1O 223452404 573804428 /nfs/dbraw/zinc/80/44/28/573804428.db2.gz MLJUAYPGLQVFKG-FCZSHJHJSA-N 0 0 170.328 2.335 10 0 AEAERN COc1cccc([C@@H](C)F)c1CNO 258134727 573805218 /nfs/dbraw/zinc/80/52/18/573805218.db2.gz NLJLDFVJEJDANX-SSDOTTSWSA-N 0 0 199.225 2.205 10 0 AEAERN OCCCCNc1cccc(F)c1 43445365 573805262 /nfs/dbraw/zinc/80/52/62/573805262.db2.gz YASJKLNYFOOGHT-UHFFFAOYSA-N 0 0 183.226 2.010 10 0 AEAERN C[C@H](CO)c1coc2ccc(O)cc12 257878049 573805286 /nfs/dbraw/zinc/80/52/86/573805286.db2.gz JHDZBWKJGRQOOO-SSDOTTSWSA-N 0 0 192.214 2.234 10 0 AEAERN O=Cc1ccc(Nc2ccncn2)cc1 258132306 573805305 /nfs/dbraw/zinc/80/53/05/573805305.db2.gz QHRUOUCMXPIBET-UHFFFAOYSA-N 0 0 199.213 2.033 10 0 AEAERN Cc1nc([C@@H]2CCC(=O)C2)ccc1F 238528195 573805310 /nfs/dbraw/zinc/80/53/10/573805310.db2.gz MSFOSUNWYYFSAN-MRVPVSSYSA-N 0 0 193.221 2.366 10 0 AEAERN CC(C)c1nc([C@@H](C)CO)cs1 257881517 573805324 /nfs/dbraw/zinc/80/53/24/573805324.db2.gz AJPDZURAUVTDTL-ZETCQYMHSA-N 0 0 185.292 2.362 10 0 AEAERN C[C@@H]1CSc2cc(CCO)ccc21 258133006 573805341 /nfs/dbraw/zinc/80/53/41/573805341.db2.gz PWEYLYHPSFKCMU-MRVPVSSYSA-N 0 0 194.299 2.431 10 0 AEAERN Cc1cc(N)c2sccc2[nH+]1 84235359 573805350 /nfs/dbraw/zinc/80/53/50/573805350.db2.gz 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/nfs/dbraw/zinc/81/04/89/573810489.db2.gz SNPVXQJJJAFPFW-LBPRGKRZSA-N 0 0 194.274 2.342 10 0 AEAERN c1n[nH]cc1N[C@H]1C[C@H]2CC[C@@H]1C2 41047208 573810498 /nfs/dbraw/zinc/81/04/98/573810498.db2.gz NFVJJDWOMYTSTQ-XKSSXDPKSA-N 0 0 177.251 2.010 10 0 AEAERN CCCCC[C@@H]1CC[C@H](O)[C@@H]2O[C@@H]21 393591156 573810525 /nfs/dbraw/zinc/81/05/25/573810525.db2.gz QBCQBHRYLVTITL-YTWAJWBKSA-N 0 0 184.279 2.105 10 0 AEAERN CC(C)=C1CCC[C@H](O)C1 238121509 573810570 /nfs/dbraw/zinc/81/05/70/573810570.db2.gz OBLHPQWUSIAGHI-VIFPVBQESA-N 0 0 140.226 2.258 10 0 AEAERN CC(=O)Cc1cnc(CC(C)C)o1 258137585 573810589 /nfs/dbraw/zinc/81/05/89/573810589.db2.gz PROFDEOCUCNJDQ-UHFFFAOYSA-N 0 0 181.235 2.005 10 0 AEAERN C[C@@H](CO)[C@@H]1CCc2c(O)cccc21 257879398 573810592 /nfs/dbraw/zinc/81/05/92/573810592.db2.gz VFEFPUKGVNEKKE-IUCAKERBSA-N 0 0 192.258 2.050 10 0 AEAERN Nc1c(Cl)cccc1[C@@H](O)C1CC1 257882300 573810613 /nfs/dbraw/zinc/81/06/13/573810613.db2.gz VQFOIQJCUZASDA-JTQLQIEISA-N 0 0 197.665 2.366 10 0 AEAERN CC(C)[C@@](C)(O)Cc1cccc(O)c1 87179452 573810730 /nfs/dbraw/zinc/81/07/30/573810730.db2.gz JDZMETDVWODTNR-LBPRGKRZSA-N 0 0 194.274 2.342 10 0 AEAERN Cc1cccc2c1[C@@]1(C)CCO[C@H]1N2 238529874 573810790 /nfs/dbraw/zinc/81/07/90/573810790.db2.gz IARLPFRJOMTSCI-VXGBXAGGSA-N 0 0 189.258 2.425 10 0 AEAERN Oc1cccc(C[C@H]2CCC[C@@H]2O)c1 87182092 573810795 /nfs/dbraw/zinc/81/07/95/573810795.db2.gz FMXCQDBZBDRZOJ-PWSUYJOCSA-N 0 0 192.258 2.096 10 0 AEAERN CC[C@H](O)CCc1ccc(O)cc1 87182129 573810819 /nfs/dbraw/zinc/81/08/19/573810819.db2.gz NAXYJFMBHVNDCG-JTQLQIEISA-N 0 0 180.247 2.096 10 0 AEAERN C[C@]12COC=CC1=CCCC(=O)C2 238528469 573810873 /nfs/dbraw/zinc/81/08/73/573810873.db2.gz NUDLEZKJCFRBJC-NSHDSACASA-N 0 0 178.231 2.216 10 0 AEAERN CC(C)(O)c1ccccc1C1COC1 258136179 573810881 /nfs/dbraw/zinc/81/08/81/573810881.db2.gz RYNGQDJSWZDROI-UHFFFAOYSA-N 0 0 192.258 2.028 10 0 AEAERN CCc1cnc(Cl)n1CC 258435004 573813763 /nfs/dbraw/zinc/81/37/63/573813763.db2.gz DVMONJTWGFIIJF-UHFFFAOYSA-N 0 0 158.632 2.119 10 0 AEAERN CC[C@@H](CO)C(=O)c1ccc(F)cc1 259197604 573813779 /nfs/dbraw/zinc/81/37/79/573813779.db2.gz RTJUBRNVLOFGTM-QMMMGPOBSA-N 0 0 196.221 2.027 10 0 AEAERN C[C@](O)(Cc1ccc(O)cc1)C1CC1 87179464 573813805 /nfs/dbraw/zinc/81/38/05/573813805.db2.gz RDNJIDAGYXCOKG-LBPRGKRZSA-N 0 0 192.258 2.096 10 0 AEAERN Oc1ccc(C[C@H]2CC[C@@H](O)C2)cc1 87184065 573813823 /nfs/dbraw/zinc/81/38/23/573813823.db2.gz WMAJMPAHAACESV-ZYHUDNBSSA-N 0 0 192.258 2.096 10 0 AEAERN Cc1noc(N[C@@H]2CCC[C@H](C)C2)n1 235654439 573813824 /nfs/dbraw/zinc/81/38/24/573813824.db2.gz VNDDFOPRGLFCLK-IONNQARKSA-N 0 0 195.266 2.369 10 0 AEAERN CC(=O)[C@@H](C)Cc1cccc(O)c1 87178656 573813828 /nfs/dbraw/zinc/81/38/28/573813828.db2.gz BJEMPGAZQHXVEH-QMMMGPOBSA-N 0 0 178.231 2.160 10 0 AEAERN CC[C@](C)(O)Cc1ccc(O)cc1 87179442 573813868 /nfs/dbraw/zinc/81/38/68/573813868.db2.gz WDKPYVSSJLGMLU-NSHDSACASA-N 0 0 180.247 2.096 10 0 AEAERN O=Cc1cnoc1[C@@H]1CCCS1 258434604 573813872 /nfs/dbraw/zinc/81/38/72/573813872.db2.gz FXMPGHWBRIJETL-ZETCQYMHSA-N 0 0 183.232 2.055 10 0 AEAERN C[C@@H]1C[C@@H]1C(=O)Cc1ccc(O)cc1 87180534 573813884 /nfs/dbraw/zinc/81/38/84/573813884.db2.gz ARSSNVFSTAKQOS-KCJUWKMLSA-N 0 0 190.242 2.160 10 0 AEAERN Oc1cccc(C[C@H]2CC[C@@H](O)C2)c1 87184057 573813912 /nfs/dbraw/zinc/81/39/12/573813912.db2.gz DKMCTLSESAHLOO-ZYHUDNBSSA-N 0 0 192.258 2.096 10 0 AEAERN C[C@H](F)Cc1cccc(CCON)c1 258140868 573813914 /nfs/dbraw/zinc/81/39/14/573813914.db2.gz SKDAUENLLPNMNR-VIFPVBQESA-N 0 0 197.253 2.020 10 0 AEAERN C[Si](C)(C)C/C(=C/F)CO 238522896 573813928 /nfs/dbraw/zinc/81/39/28/573813928.db2.gz LVITZDNYXSAAOT-QPJJXVBHSA-N 0 0 162.280 2.170 10 0 AEAERN CC(C)(Cl)[C@H](CO)C(F)(F)F 238133953 573813931 /nfs/dbraw/zinc/81/39/31/573813931.db2.gz VULNHCNMCCYXOY-BYPYZUCNSA-N 0 0 190.592 2.175 10 0 AEAERN Cc1cccc(CSC(N)=S)c1 238521931 573813963 /nfs/dbraw/zinc/81/39/63/573813963.db2.gz LTXBCUJOGMLIGJ-UHFFFAOYSA-N 0 0 197.328 2.472 10 0 AEAERN Cc1nc(CC(=O)C2CCC2)cs1 84273385 573813971 /nfs/dbraw/zinc/81/39/71/573813971.db2.gz IMPRWKZQACGHAF-UHFFFAOYSA-N 0 0 195.287 2.363 10 0 AEAERN Cc1ccc(C(F)F)cc1CNO 258145374 573813998 /nfs/dbraw/zinc/81/39/98/573813998.db2.gz SWISQIVEYPLGMY-UHFFFAOYSA-N 0 0 187.189 2.411 10 0 AEAERN CC(C)(Cl)C(C)(C)CO 238131849 573814001 /nfs/dbraw/zinc/81/40/01/573814001.db2.gz WYLXOKFNBSTADT-UHFFFAOYSA-N 0 0 150.649 2.022 10 0 AEAERN COC(C)(C)Cc1ccccc1C=O 259571816 573814012 /nfs/dbraw/zinc/81/40/12/573814012.db2.gz WMRFHTMUYCWLOF-UHFFFAOYSA-N 0 0 192.258 2.467 10 0 AEAERN Oc1cccc(C[C@@H]2CCC[C@@H]2O)c1 87182090 573814016 /nfs/dbraw/zinc/81/40/16/573814016.db2.gz FMXCQDBZBDRZOJ-JQWIXIFHSA-N 0 0 192.258 2.096 10 0 AEAERN CC(C)(C)c1occc1C=O 238134109 573814062 /nfs/dbraw/zinc/81/40/62/573814062.db2.gz NKRAGOVSEAWJBT-UHFFFAOYSA-N 0 0 152.193 2.390 10 0 AEAERN Cc1nnc2cc3[nH][nH]c(C)c3cc12 100691412 573814080 /nfs/dbraw/zinc/81/40/80/573814080.db2.gz UXLCQXLOUGZAPM-UHFFFAOYSA-N 0 0 186.218 2.056 10 0 AEAERN C[C@@H]1C[C@@H]1C(=O)Cc1cccc(O)c1 87180542 573814098 /nfs/dbraw/zinc/81/40/98/573814098.db2.gz IXBIZIVPOYSJHW-KCJUWKMLSA-N 0 0 190.242 2.160 10 0 AEAERN Nc1c[nH]cc1-c1ccc(F)cc1 258140196 573814171 /nfs/dbraw/zinc/81/41/71/573814171.db2.gz OLRFYWQPUOEARK-UHFFFAOYSA-N 0 0 176.194 2.403 10 0 AEAERN Cc1nc(CC(=O)[C@H]2C[C@@H]2C)cs1 84273480 573814177 /nfs/dbraw/zinc/81/41/77/573814177.db2.gz LZGYTMICANUVAO-RCOVLWMOSA-N 0 0 195.287 2.219 10 0 AEAERN CC[C@H](O)c1cccc(Cl)c1N 257880010 573814180 /nfs/dbraw/zinc/81/41/80/573814180.db2.gz LTSWGSPTDCPBNN-QMMMGPOBSA-N 0 0 185.654 2.366 10 0 AEAERN Oc1cccc(C[C@H](O)C2CCC2)c1 87180728 573814201 /nfs/dbraw/zinc/81/42/01/573814201.db2.gz UCIQZQZOFPWMQL-LBPRGKRZSA-N 0 0 192.258 2.096 10 0 AEAERN CCOc1ccc2nnsc2c1 100726482 573814204 /nfs/dbraw/zinc/81/42/04/573814204.db2.gz UFXOUFJMNYOXFM-UHFFFAOYSA-N 0 0 180.232 2.090 10 0 AEAERN CC(C)(Cl)[C@@H](CO)C(F)(F)F 238132797 573814206 /nfs/dbraw/zinc/81/42/06/573814206.db2.gz VULNHCNMCCYXOY-SCSAIBSYSA-N 0 0 190.592 2.175 10 0 AEAERN Oc1cccc(C[C@H]2CCC[C@H]2O)c1 87182096 573814208 /nfs/dbraw/zinc/81/42/08/573814208.db2.gz FMXCQDBZBDRZOJ-ZYHUDNBSSA-N 0 0 192.258 2.096 10 0 AEAERN OC1(c2ccc3c(c2)SCC3)CC1 258140969 573814237 /nfs/dbraw/zinc/81/42/37/573814237.db2.gz SNGUCJGQUVEVIV-UHFFFAOYSA-N 0 0 192.283 2.316 10 0 AEAERN CC(C)(C)C(=O)[C@H]1CCCC[C@@H]1O 238132290 573814239 /nfs/dbraw/zinc/81/42/39/573814239.db2.gz AQEXCPIAKPSABY-IUCAKERBSA-N 0 0 184.279 2.153 10 0 AEAERN CC(=O)[C@H](C)Cc1ccc(O)cc1 87178662 573814255 /nfs/dbraw/zinc/81/42/55/573814255.db2.gz RKONDNYXZKXHAL-MRVPVSSYSA-N 0 0 178.231 2.160 10 0 AEAERN Oc1cccc(C[C@@H]2CCC[C@H]2O)c1 87182095 573814269 /nfs/dbraw/zinc/81/42/69/573814269.db2.gz FMXCQDBZBDRZOJ-CMPLNLGQSA-N 0 0 192.258 2.096 10 0 AEAERN CC(C)Cc1nnc2n1C[C@H](C)CC2 258144853 573814332 /nfs/dbraw/zinc/81/43/32/573814332.db2.gz HNLPMBDRWZCFES-SECBINFHSA-N 0 0 193.294 2.059 10 0 AEAERN CC[C@H](CO)C(=O)c1ccc(F)cc1 259197600 573814337 /nfs/dbraw/zinc/81/43/37/573814337.db2.gz RTJUBRNVLOFGTM-MRVPVSSYSA-N 0 0 196.221 2.027 10 0 AEAERN Cc1cc(O)c2c(c1O)CC=CC2 100684825 573814338 /nfs/dbraw/zinc/81/43/38/573814338.db2.gz HRUGDCIASCBFDZ-UHFFFAOYSA-N 0 0 176.215 2.061 10 0 AEAERN Oc1ccc(C[C@@H](O)C2CCC2)cc1 87180726 573814347 /nfs/dbraw/zinc/81/43/47/573814347.db2.gz MILGIZQDXZTVRG-GFCCVEGCSA-N 0 0 192.258 2.096 10 0 AEAERN O[C@@H](CC[C@@H]1CCOC1)C1CCCC1 127366774 573814361 /nfs/dbraw/zinc/81/43/61/573814361.db2.gz VQMHYPGNTALSEW-PWSUYJOCSA-N 0 0 198.306 2.354 10 0 AEAERN Oc1cccc(Cn2cccc2)c1 87183504 573814364 /nfs/dbraw/zinc/81/43/64/573814364.db2.gz FMURHXXRKDDAQI-UHFFFAOYSA-N 0 0 173.215 2.242 10 0 AEAERN CC(C)=C=CC(=O)NC(C)(C)C 238131791 573814368 /nfs/dbraw/zinc/81/43/68/573814368.db2.gz UBZRNOLVCMSSBQ-UHFFFAOYSA-N 0 0 167.252 2.022 10 0 AEAERN CC(C)(C)[C@H](O)Cc1ccc(O)cc1 87179874 573814369 /nfs/dbraw/zinc/81/43/69/573814369.db2.gz VODBLJUCSPXBRO-LLVKDONJSA-N 0 0 194.274 2.342 10 0 AEAERN Nc1cc(C2CCCC2)nnc1Cl 257880620 573814372 /nfs/dbraw/zinc/81/43/72/573814372.db2.gz FHRHPERHJSQIBO-UHFFFAOYSA-N 0 0 197.669 2.370 10 0 AEAERN COc1cccc(-c2c[nH]cc2N)c1 258140140 573814374 /nfs/dbraw/zinc/81/43/74/573814374.db2.gz OKPVOUDFCPWWLL-UHFFFAOYSA-N 0 0 188.230 2.273 10 0 AEAERN OC1CC(c2c(F)cccc2F)C1 87200163 573823861 /nfs/dbraw/zinc/82/38/61/573823861.db2.gz WVOMXZILZFIVRF-UHFFFAOYSA-N 0 0 184.185 2.203 10 0 AEAERN Cc1nc2cc(OC3CC3)ccc2[nH]1 238525851 573823867 /nfs/dbraw/zinc/82/38/67/573823867.db2.gz VXKBGAJAMRYITC-UHFFFAOYSA-N 0 0 188.230 2.413 10 0 AEAERN O=Cc1coc([C@@H]2CCCSC2)n1 258148883 573823904 /nfs/dbraw/zinc/82/39/04/573823904.db2.gz RTGKGEKEUSNWQN-SSDOTTSWSA-N 0 0 197.259 2.098 10 0 AEAERN CC(C)(C)c1ccc(SNN)cc1 259204688 573823283 /nfs/dbraw/zinc/82/32/83/573823283.db2.gz KWBQCKCDSRGBQN-UHFFFAOYSA-N 0 0 196.319 2.455 10 0 AEAERN OCC1(SC2CCCC2)CC1 259204888 573826058 /nfs/dbraw/zinc/82/60/58/573826058.db2.gz KZCLQQIISIWJKI-UHFFFAOYSA-N 0 0 172.293 2.187 10 0 AEAERN CC[C@H](C)n1ncc(SC)c1N 87196154 573823288 /nfs/dbraw/zinc/82/32/88/573823288.db2.gz PJVZKURRHRZEAE-LURJTMIESA-N 0 0 185.296 2.158 10 0 AEAERN COCN(C)c1ccccc1C 259204162 573823336 /nfs/dbraw/zinc/82/33/36/573823336.db2.gz WRLWZQWQMJMPTR-UHFFFAOYSA-N 0 0 165.236 2.035 10 0 AEAERN COc1ccc(C2CC(=O)C2)cc1F 87199343 573823337 /nfs/dbraw/zinc/82/33/37/573823337.db2.gz XYLMPLLGMXSJKY-UHFFFAOYSA-N 0 0 194.205 2.281 10 0 AEAERN Cc1c(N)cnc(C(F)F)c1F 238525913 573823344 /nfs/dbraw/zinc/82/33/44/573823344.db2.gz NIGJFYSGRWXDCN-UHFFFAOYSA-N 0 0 176.141 2.049 10 0 AEAERN C[C@H]1C[C@@]1(O)Cc1cccc(F)c1F 87196513 573823374 /nfs/dbraw/zinc/82/33/74/573823374.db2.gz NNZVGVCSKZCSQD-WRWORJQWSA-N 0 0 198.212 2.278 10 0 AEAERN CC(C)(C)c1cnc(C=O)c(F)c1 238129004 573823402 /nfs/dbraw/zinc/82/34/02/573823402.db2.gz BRQMCVKHEWZVDJ-UHFFFAOYSA-N 0 0 181.210 2.331 10 0 AEAERN COC(=O)/C=C(/C)c1ccccc1F 109123368 573823490 /nfs/dbraw/zinc/82/34/90/573823490.db2.gz WZJQCLGTCCKMBC-FPLPWBNLSA-N 0 0 194.205 2.402 10 0 AEAERN C[C@@]12CCC(=O)CC[C@@H](CC1)O2 238525339 573823492 /nfs/dbraw/zinc/82/34/92/573823492.db2.gz DFMKITCDYYBEAL-VHSXEESVSA-N 0 0 168.236 2.067 10 0 AEAERN COc1cccc(Oc2ncc[nH]2)c1 257884962 573823550 /nfs/dbraw/zinc/82/35/50/573823550.db2.gz KXGIZAQPTYGKOW-UHFFFAOYSA-N 0 0 190.202 2.211 10 0 AEAERN Cc1cc2ccc3nsnc3c2[nH]1 238525597 573823564 /nfs/dbraw/zinc/82/35/64/573823564.db2.gz XAATZYJOBNHHAC-UHFFFAOYSA-N 0 0 189.243 2.481 10 0 AEAERN OC1(Cc2cccc(F)c2F)CC1 87196509 573823626 /nfs/dbraw/zinc/82/36/26/573823626.db2.gz OEVWJRNPQDJVDV-UHFFFAOYSA-N 0 0 184.185 2.032 10 0 AEAERN CC(=O)C(F)(F)c1ccc(O)cc1 257884910 573823644 /nfs/dbraw/zinc/82/36/44/573823644.db2.gz MMXKALBAJIRKMW-UHFFFAOYSA-N 0 0 186.157 2.073 10 0 AEAERN Cc1ccc2cc(N)cc(N)c2c1 238526498 573823656 /nfs/dbraw/zinc/82/36/56/573823656.db2.gz OGKBLNIAJRGGEX-UHFFFAOYSA-N 0 0 172.231 2.313 10 0 AEAERN O=C1CCC(O)(c2cccs2)CC1 84323145 573823673 /nfs/dbraw/zinc/82/36/73/573823673.db2.gz LXFPGCIEDOLBEI-UHFFFAOYSA-N 0 0 196.271 2.079 10 0 AEAERN Cc1c(N)cnc(C(F)F)c1C 238525699 573823708 /nfs/dbraw/zinc/82/37/08/573823708.db2.gz QMSGZBSQEQPBDY-UHFFFAOYSA-N 0 0 172.178 2.218 10 0 AEAERN CC(C)=C1C[C@H]2CCC(=O)[C@H]12 238129021 573823712 /nfs/dbraw/zinc/82/37/12/573823712.db2.gz NYGMEYMCMXBKOT-XCBNKYQSSA-N 0 0 150.221 2.322 10 0 AEAERN COCc1cc2c(F)cccc2n1C 258148876 573823719 /nfs/dbraw/zinc/82/37/19/573823719.db2.gz WQBGZLLGXYUTBU-UHFFFAOYSA-N 0 0 193.221 2.464 10 0 AEAERN C=Cc1ccc2c(c1)COC2 87198222 573823767 /nfs/dbraw/zinc/82/37/67/573823767.db2.gz LQTALFFPGUPAAA-UHFFFAOYSA-N 0 0 146.189 2.360 10 0 AEAERN CCOc1ccccc1C1CC(O)C1 87200367 573823794 /nfs/dbraw/zinc/82/37/94/573823794.db2.gz HLMGOZPTPPBPCZ-UHFFFAOYSA-N 0 0 192.258 2.324 10 0 AEAERN O=C1CC(c2ccc3c(c2)COC3)C1 87199369 573823222 /nfs/dbraw/zinc/82/32/22/573823222.db2.gz NQMBVRNYVHRRNN-UHFFFAOYSA-N 0 0 188.226 2.163 10 0 AEAERN CC(C)=C=C(C)CCCO 238131246 573826072 /nfs/dbraw/zinc/82/60/72/573826072.db2.gz PUPRRMSRLVPODA-UHFFFAOYSA-N 0 0 140.226 2.270 10 0 AEAERN Cc1cc2sc(C)c(C=O)n2c1 238524512 573826096 /nfs/dbraw/zinc/82/60/96/573826096.db2.gz QKVISOLYSBANQZ-UHFFFAOYSA-N 0 0 179.244 2.430 10 0 AEAERN CC(C)C[C@H](O)c1cc(O)ccc1N 257884636 573826099 /nfs/dbraw/zinc/82/60/99/573826099.db2.gz WAWUMKDDXRXVQC-NSHDSACASA-N 0 0 195.262 2.054 10 0 AEAERN CC1(C)CCc2[nH]c(=S)[nH]c21 87200512 573826107 /nfs/dbraw/zinc/82/61/07/573826107.db2.gz AMLBFOMVINBQSP-UHFFFAOYSA-N 0 0 168.265 2.296 10 0 AEAERN Cc1cc(F)c([C@@H](C)CO)cc1F 87220796 573826108 /nfs/dbraw/zinc/82/61/08/573826108.db2.gz BDXVBCYTHQLLPC-ZETCQYMHSA-N 0 0 186.201 2.369 10 0 AEAERN Cc1ccc([C@@]2(C)CNC(=O)O2)s1 258149162 573826146 /nfs/dbraw/zinc/82/61/46/573826146.db2.gz DIJNQBZWQOLFKA-SECBINFHSA-N 0 0 197.259 2.012 10 0 AEAERN Cc1ccc([C@@H]2[C@H](CO)C2(F)F)cc1 238525412 573826150 /nfs/dbraw/zinc/82/61/50/573826150.db2.gz BHWWMHHLHZOMDW-VHSXEESVSA-N 0 0 198.212 2.336 10 0 AEAERN Cc1c(N)noc1C1CCSCC1 257884872 573826173 /nfs/dbraw/zinc/82/61/73/573826173.db2.gz SNYLMKBGFQSTMF-UHFFFAOYSA-N 0 0 198.291 2.176 10 0 AEAERN S=c1[nH]cc(-c2nccs2)[nH]1 87200704 573826176 /nfs/dbraw/zinc/82/61/76/573826176.db2.gz XLEITUVTVFRIRA-UHFFFAOYSA-N 0 0 183.261 2.196 10 0 AEAERN Cc1ccc2cc(N)c(C)cc2n1 238526476 573826215 /nfs/dbraw/zinc/82/62/15/573826215.db2.gz JZYOGAVYVGDPFU-UHFFFAOYSA-N 0 0 172.231 2.434 10 0 AEAERN COCC(=O)Cc1ccc(Cl)cc1 43504721 573826230 /nfs/dbraw/zinc/82/62/30/573826230.db2.gz WCQXXEGMNTVULE-UHFFFAOYSA-N 0 0 198.649 2.098 10 0 AEAERN C[C@H](O)c1ncc2cc(Cl)ccn12 257884574 573826232 /nfs/dbraw/zinc/82/62/32/573826232.db2.gz VZWVDLBCRAGOHD-LURJTMIESA-N 0 0 196.637 2.041 10 0 AEAERN Nc1cccc(CSCC2CC2)n1 393592833 573826251 /nfs/dbraw/zinc/82/62/51/573826251.db2.gz YPADGTPBSDNHNT-UHFFFAOYSA-N 0 0 194.303 2.307 10 0 AEAERN C=Cc1cc2ccc(C)cc2[nH]c1=O 238525300 573826263 /nfs/dbraw/zinc/82/62/63/573826263.db2.gz WWGFYSRKDPBFHE-UHFFFAOYSA-N 0 0 185.226 2.480 10 0 AEAERN CCn1c(CO)cc2cccc(F)c21 257883876 573826298 /nfs/dbraw/zinc/82/62/98/573826298.db2.gz KUJVBRKXDOADRQ-UHFFFAOYSA-N 0 0 193.221 2.293 10 0 AEAERN CC(=O)c1ccc(C)c(C(C)=O)c1O 238140096 573826300 /nfs/dbraw/zinc/82/63/00/573826300.db2.gz PXOSCGJPEXFDLU-UHFFFAOYSA-N 0 0 192.214 2.106 10 0 AEAERN CC[C@H](C)CC1(O)CCC(=O)CC1 84323214 573826306 /nfs/dbraw/zinc/82/63/06/573826306.db2.gz YHQLHFCVGLJWAE-VIFPVBQESA-N 0 0 184.279 2.297 10 0 AEAERN CCCCCCO[C@@H](C)C(N)=S 43515209 573826319 /nfs/dbraw/zinc/82/63/19/573826319.db2.gz UOKPVBQTXBIRCB-QMMMGPOBSA-N 0 0 189.324 2.258 10 0 AEAERN O[C@H](CC1CC1)c1ccc(F)nc1 686128886 573826320 /nfs/dbraw/zinc/82/63/20/573826320.db2.gz ZDXUAUOQSHYPDO-SECBINFHSA-N 0 0 181.210 2.054 10 0 AEAERN C/C=C/CCNC(=O)C1=CCCC1 393592998 573826365 /nfs/dbraw/zinc/82/63/65/573826365.db2.gz ZBTWUICCJKTFOB-NSCUHMNNSA-N 0 0 179.263 2.179 10 0 AEAERN CCCCCCO[C@H](C)C(N)=S 43515210 573826441 /nfs/dbraw/zinc/82/64/41/573826441.db2.gz UOKPVBQTXBIRCB-MRVPVSSYSA-N 0 0 189.324 2.258 10 0 AEAERN CC(C)CCC1(O)CCC(=O)CC1 84323257 573826451 /nfs/dbraw/zinc/82/64/51/573826451.db2.gz HMUCGKJHIMQOHD-UHFFFAOYSA-N 0 0 184.279 2.297 10 0 AEAERN CC(=O)SC/C=C/Cl 238129573 573826492 /nfs/dbraw/zinc/82/64/92/573826492.db2.gz FYJQCQWJYABBCR-NSCUHMNNSA-N 0 0 150.630 2.019 10 0 AEAERN Oc1cccn2cc(C3CCC3)nc12 257884281 573826522 /nfs/dbraw/zinc/82/65/22/573826522.db2.gz CRIIFVWRKPTWAE-UHFFFAOYSA-N 0 0 188.230 2.307 10 0 AEAERN Cc1cc2sccc2c(C=O)n1 238525196 573826531 /nfs/dbraw/zinc/82/65/31/573826531.db2.gz HLRPYEDOLHHZIT-UHFFFAOYSA-N 0 0 177.228 2.417 10 0 AEAERN COCC(=O)Cc1cccc(Cl)c1 43504720 573826591 /nfs/dbraw/zinc/82/65/91/573826591.db2.gz DULUCOHYPZTHPE-UHFFFAOYSA-N 0 0 198.649 2.098 10 0 AEAERN C/C=C\CCNC(=O)C1=CCCC1 393592997 573826614 /nfs/dbraw/zinc/82/66/14/573826614.db2.gz ZBTWUICCJKTFOB-IHWYPQMZSA-N 0 0 179.263 2.179 10 0 AEAERN Cc1cnc(F)cc1C(F)F 238526497 573826682 /nfs/dbraw/zinc/82/66/82/573826682.db2.gz YEPJAHWFDDRRTK-UHFFFAOYSA-N 0 0 161.126 2.467 10 0 AEAERN CCCCCC1(O)CCC(=O)CC1 84323099 573826704 /nfs/dbraw/zinc/82/67/04/573826704.db2.gz YUEDFVMUSIUPJY-UHFFFAOYSA-N 0 0 184.279 2.441 10 0 AEAERN Cc1cc2sc(C)cc2c(CO)n1 238524568 573826719 /nfs/dbraw/zinc/82/67/19/573826719.db2.gz IQVHKENIIPFWGT-UHFFFAOYSA-N 0 0 193.271 2.405 10 0 AEAERN CC(=O)c1cc(C)c(C)c(C)c1N 238130514 573826745 /nfs/dbraw/zinc/82/67/45/573826745.db2.gz POFFHDZQEGVPJS-UHFFFAOYSA-N 0 0 177.247 2.397 10 0 AEAERN CC(C)(C)C(=O)[C@@H]1CCCC[C@@H]1O 238130904 573826794 /nfs/dbraw/zinc/82/67/94/573826794.db2.gz AQEXCPIAKPSABY-BDAKNGLRSA-N 0 0 184.279 2.153 10 0 AEAERN Cc1cc2sccc2c(CO)n1 238525215 573826811 /nfs/dbraw/zinc/82/68/11/573826811.db2.gz WUGACRVMCXAGMQ-UHFFFAOYSA-N 0 0 179.244 2.097 10 0 AEAERN O=C1CCC(O)(c2ccsc2)CC1 84323096 573826064 /nfs/dbraw/zinc/82/60/64/573826064.db2.gz BMUDAUJTFVKSSB-UHFFFAOYSA-N 0 0 196.271 2.079 10 0 AEAERN C[C@H]1C[C@@]1(CO)C1CCCC1 258964762 573830238 /nfs/dbraw/zinc/83/02/38/573830238.db2.gz HGLPBPSBFASILD-WPRPVWTQSA-N 0 0 154.253 2.195 10 0 AEAERN NOCc1ccc(SC2CC2)cc1 258142954 573830274 /nfs/dbraw/zinc/83/02/74/573830274.db2.gz SRJZGZGYXZZVOS-UHFFFAOYSA-N 0 0 195.287 2.331 10 0 AEAERN Cc1cc(F)c2c(c1F)C[NH2+]C[C@@H]2C 87220334 573830335 /nfs/dbraw/zinc/83/03/35/573830335.db2.gz FHZSWJYPYOMDPX-ZETCQYMHSA-N 0 0 197.228 2.480 10 0 AEAERN CC(C)Cc1[nH]nc2c(O)cccc12 257886501 573830343 /nfs/dbraw/zinc/83/03/43/573830343.db2.gz WIDKXEMRMUQGQY-UHFFFAOYSA-N 0 0 190.246 2.467 10 0 AEAERN CSC[C@H](CO)C1CCCC1 258144129 573830352 /nfs/dbraw/zinc/83/03/52/573830352.db2.gz HACYTPUPLHQMEK-VIFPVBQESA-N 0 0 174.309 2.148 10 0 AEAERN COCC(=O)Cc1cc(C)ccc1C 43504811 573830355 /nfs/dbraw/zinc/83/03/55/573830355.db2.gz NUBZNGJNNBQYEW-UHFFFAOYSA-N 0 0 192.258 2.061 10 0 AEAERN Cc1cccc(-n2cccc2)c1CO 238527429 573830382 /nfs/dbraw/zinc/83/03/82/573830382.db2.gz KBQHJFVUUHORPM-UHFFFAOYSA-N 0 0 187.242 2.278 10 0 AEAERN COCC(=O)CCCCC(C)C 43504906 573830384 /nfs/dbraw/zinc/83/03/84/573830384.db2.gz OICHQSDMVNCPOK-UHFFFAOYSA-N 0 0 172.268 2.418 10 0 AEAERN Oc1cccc([C@@H]2C[C@H]2F)c1 259205433 573830431 /nfs/dbraw/zinc/83/04/31/573830431.db2.gz JHSYRAILGMQSIR-DTWKUNHWSA-N 0 0 152.168 2.218 10 0 AEAERN CO[C@H]1CCCc2cc(N)ccc21 257886238 573830434 /nfs/dbraw/zinc/83/04/34/573830434.db2.gz MPUZKXWSKAKASO-NSHDSACASA-N 0 0 177.247 2.293 10 0 AEAERN COC[C@H](C)CC(=O)c1cc(C)co1 716210203 573830443 /nfs/dbraw/zinc/83/04/43/573830443.db2.gz CYPBPNVZAOGAMO-MRVPVSSYSA-N 0 0 196.246 2.443 10 0 AEAERN CC1SCCC1=S 100828525 573830465 /nfs/dbraw/zinc/83/04/65/573830465.db2.gz SHTOTWJJNXTUDB-UHFFFAOYSA-N 0 0 132.253 2.285 10 0 endogenous,in-man AEAERN CCO[C@H]1CCc2cc(O)ccc2O1 143496045 573830469 /nfs/dbraw/zinc/83/04/69/573830469.db2.gz JYGDGXPJVUMQKZ-LLVKDONJSA-N 0 0 194.230 2.080 10 0 AEAERN C[C@H](O)c1cnc(-c2cccs2)o1 258143772 573830487 /nfs/dbraw/zinc/83/04/87/573830487.db2.gz QAKQRQUZXZEHOV-LURJTMIESA-N 0 0 195.243 2.456 10 0 AEAERN Cc1nc(-c2ccco2)ccc1CO 224716253 573830516 /nfs/dbraw/zinc/83/05/16/573830516.db2.gz RPLQMWGYVCBGST-UHFFFAOYSA-N 0 0 189.214 2.142 10 0 AEAERN COCC(=O)Cc1cc(C)cc(C)c1 43504814 573830543 /nfs/dbraw/zinc/83/05/43/573830543.db2.gz XWGGYDRUIWFCBF-UHFFFAOYSA-N 0 0 192.258 2.061 10 0 AEAERN Cc1ccc2cnoc2c1F 238531426 573830552 /nfs/dbraw/zinc/83/05/52/573830552.db2.gz CZJTZWWVTVODRT-UHFFFAOYSA-N 0 0 151.140 2.275 10 0 AEAERN CC(C)=CCC[C@@H]1CCOC(=O)N1 238147029 573830632 /nfs/dbraw/zinc/83/06/32/573830632.db2.gz IATUAEWLAGCPGX-SECBINFHSA-N 0 0 183.251 2.231 10 0 AEAERN CCNc1nccc(-c2ccoc2)n1 87203754 573830663 /nfs/dbraw/zinc/83/06/63/573830663.db2.gz ZHFITDBHFDWUKU-UHFFFAOYSA-N 0 0 189.218 2.168 10 0 AEAERN COCC(=O)Cc1ccc(C)c(C)c1 43504813 573830686 /nfs/dbraw/zinc/83/06/86/573830686.db2.gz KTYDNOLIBNWYLR-UHFFFAOYSA-N 0 0 192.258 2.061 10 0 AEAERN CC(=O)c1cccc2c1CCC2=O 238148038 573830687 /nfs/dbraw/zinc/83/06/87/573830687.db2.gz KKBGJCSAXYTWOS-UHFFFAOYSA-N 0 0 174.199 2.018 10 0 AEAERN Cc1cc(F)c([C@H](C)CO)cc1F 87220798 573830689 /nfs/dbraw/zinc/83/06/89/573830689.db2.gz BDXVBCYTHQLLPC-SSDOTTSWSA-N 0 0 186.201 2.369 10 0 AEAERN C[Si](C)(C)C[Si](C)(C)CO 238527969 573830736 /nfs/dbraw/zinc/83/07/36/573830736.db2.gz WMEXLCZYMYNCIU-UHFFFAOYSA-N 0 0 176.408 2.104 10 0 AEAERN OC1(C2CCCCC2)CCC1 84328757 573830740 /nfs/dbraw/zinc/83/07/40/573830740.db2.gz ORFHZNWJNKSNAU-UHFFFAOYSA-N 0 0 154.253 2.482 10 0 AEAERN C[C@@H]1CCc2[nH]c(=S)[nH]c2C1 87200589 573830772 /nfs/dbraw/zinc/83/07/72/573830772.db2.gz PLVLSTPMXQKDAS-RXMQYKEDSA-N 0 0 168.265 2.197 10 0 AEAERN Cc1nc(OC2CC2)ccc1F 238526773 573830824 /nfs/dbraw/zinc/83/08/24/573830824.db2.gz SZGHADNWQOGFLF-UHFFFAOYSA-N 0 0 167.183 2.070 10 0 AEAERN Cc1nc2cc3nc[nH]c3cc2s1 238526659 573830830 /nfs/dbraw/zinc/83/08/30/573830830.db2.gz NCCPRNLUTASIHG-UHFFFAOYSA-N 0 0 189.243 2.481 10 0 AEAERN Nc1cccc([C@@H](F)[C@@H]2CCOC2)c1 258141978 573830845 /nfs/dbraw/zinc/83/08/45/573830845.db2.gz RDIFXNYTWWGSHJ-MWLCHTKSSA-N 0 0 195.237 2.316 10 0 AEAERN CC(=O)CCc1nc2ccccc2o1 100902777 573830847 /nfs/dbraw/zinc/83/08/47/573830847.db2.gz JVUHCTFTQDDYLB-UHFFFAOYSA-N 0 0 189.214 2.349 10 0 AEAERN COCCCC[C@H](CO)CC(C)C 131409372 573830854 /nfs/dbraw/zinc/83/08/54/573830854.db2.gz LFTJJDNIUCLRJV-NSHDSACASA-N 0 0 188.311 2.458 10 0 AEAERN Cc1cc(F)cc(C(F)F)n1 238527155 573830857 /nfs/dbraw/zinc/83/08/57/573830857.db2.gz YOVZJTOHIXNJTH-UHFFFAOYSA-N 0 0 161.126 2.467 10 0 AEAERN Cc1c(NC=O)ccc2cccnc12 238531459 573830872 /nfs/dbraw/zinc/83/08/72/573830872.db2.gz ZUPURBRZBLAKFE-UHFFFAOYSA-N 0 0 186.214 2.112 10 0 AEAERN CCC[C@H](CO)CCCCOC 131409571 573830880 /nfs/dbraw/zinc/83/08/80/573830880.db2.gz RMGVMUKBHBHCNG-JTQLQIEISA-N 0 0 174.284 2.212 10 0 AEAERN Cc1cc2c3ccccc3nc-2[n-][nH+]1 238527476 573830884 /nfs/dbraw/zinc/83/08/84/573830884.db2.gz VDIXJACPUSUAHT-UHFFFAOYSA-N 0 0 183.214 2.420 10 0 AEAERN CC(=O)N[C@H]1C[C@@]2(C)CC[C@@H]1C2(C)C 238149186 573830908 /nfs/dbraw/zinc/83/09/08/573830908.db2.gz VOKHAXONDISQHT-JBLDHEPKSA-N 0 0 195.306 2.337 10 0 AEAERN Cc1ccc(O)c(-c2csnn2)c1 238531462 573830922 /nfs/dbraw/zinc/83/09/22/573830922.db2.gz RFQKKSCDTYHHSE-UHFFFAOYSA-N 0 0 192.243 2.219 10 0 AEAERN Nc1ccnn1CC1CCCCCC1 84329609 573830942 /nfs/dbraw/zinc/83/09/42/573830942.db2.gz LHNPGYRNPFWYMY-UHFFFAOYSA-N 0 0 193.294 2.436 10 0 AEAERN Oc1cccc([C@H]2C[C@H]2F)c1 259205440 573831023 /nfs/dbraw/zinc/83/10/23/573831023.db2.gz JHSYRAILGMQSIR-RKDXNWHRSA-N 0 0 152.168 2.218 10 0 AEAERN Cc1cc2c(F)c(CON)ccc2[nH]1 258143064 573831032 /nfs/dbraw/zinc/83/10/32/573831032.db2.gz STEKIZHXYMROTD-UHFFFAOYSA-N 0 0 194.209 2.006 10 0 AEAERN C[C@@H](CO)c1ccc2c(c1)OCS2 258143019 573831040 /nfs/dbraw/zinc/83/10/40/573831040.db2.gz SRZCPYZMOGJOJV-ZETCQYMHSA-N 0 0 196.271 2.224 10 0 AEAERN Cc1cc(CO)c2cc(N)sc2c1 238527985 573831045 /nfs/dbraw/zinc/83/10/45/573831045.db2.gz DIMWWWWFFVZXCO-UHFFFAOYSA-N 0 0 193.271 2.284 10 0 AEAERN Cc1nc(OC2CCCC2)c[nH]1 238526956 573831058 /nfs/dbraw/zinc/83/10/58/573831058.db2.gz QAFXSNCBQLEEHG-UHFFFAOYSA-N 0 0 166.224 2.040 10 0 AEAERN CCCCc1ccc2c(c1)[C@@H](O)CO2 122827415 573831090 /nfs/dbraw/zinc/83/10/90/573831090.db2.gz POEIHQZBIZJUJB-NSHDSACASA-N 0 0 192.258 2.455 10 0 AEAERN Cc1nc(OC2CCCC2)cn1C 238527004 573831113 /nfs/dbraw/zinc/83/11/13/573831113.db2.gz QOVNELGTSUDXOO-UHFFFAOYSA-N 0 0 180.251 2.050 10 0 AEAERN CC(C)NC(=O)N(O)c1ccccc1 238148034 573831119 /nfs/dbraw/zinc/83/11/19/573831119.db2.gz XXKFXKILGMLGPK-UHFFFAOYSA-N 0 0 194.234 2.000 10 0 AEAERN Nc1cccc([C@H](F)[C@@H]2CCOC2)c1 258141976 573831150 /nfs/dbraw/zinc/83/11/50/573831150.db2.gz RDIFXNYTWWGSHJ-KOLCDFICSA-N 0 0 195.237 2.316 10 0 AEAERN Nc1cc(-c2ccc3ccoc3c2)[nH]n1 258151562 573831168 /nfs/dbraw/zinc/83/11/68/573831168.db2.gz OUFPYFGBNHRYDR-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN CCCC[C@@H](NN)C(C1CC1)C1CC1 308445989 573831170 /nfs/dbraw/zinc/83/11/70/573831170.db2.gz ANBHZQRWCLZXCV-LLVKDONJSA-N 0 0 196.338 2.445 10 0 AEAERN Clc1nnc(Cl)c2[nH]ccc12 238527384 573831193 /nfs/dbraw/zinc/83/11/93/573831193.db2.gz YWNSCFHGEZIJBJ-UHFFFAOYSA-N 0 0 188.017 2.265 10 0 AEAERN Cc1ccc(OCC2COC2)cc1C 258965404 573831197 /nfs/dbraw/zinc/83/11/97/573831197.db2.gz CFWKESMPHWFCGV-UHFFFAOYSA-N 0 0 192.258 2.329 10 0 AEAERN Cc1cc(F)c2c(c1F)CC[NH2+][C@H]2C 87220372 573831234 /nfs/dbraw/zinc/83/12/34/573831234.db2.gz AFJGMFLZKBAPAC-ZETCQYMHSA-N 0 0 197.228 2.480 10 0 AEAERN COc1cccc(C[C@H](C)O)c1CF 258142891 573831250 /nfs/dbraw/zinc/83/12/50/573831250.db2.gz SPSFDORHTZMSSP-QMMMGPOBSA-N 0 0 198.237 2.088 10 0 AEAERN Cc1ccn(CCCC(F)F)n1 688742400 573831328 /nfs/dbraw/zinc/83/13/28/573831328.db2.gz ZFJBRKQLXQVGJA-UHFFFAOYSA-N 0 0 174.194 2.237 10 0 AEAERN CC(C)=C[C@@H](O)[C@@H](C)C1CC1 122845652 573831353 /nfs/dbraw/zinc/83/13/53/573831353.db2.gz LEOFZTXAGJLWKM-WCBMZHEXSA-N 0 0 154.253 2.360 10 0 AEAERN CC(=O)c1ccc2c(c1)[C@@H](C)CN2C 258143961 573831359 /nfs/dbraw/zinc/83/13/59/573831359.db2.gz QPAOEVFVEFDUGH-QMMMGPOBSA-N 0 0 189.258 2.443 10 0 AEAERN Cc1cnc(N)nc1-c1ccsc1 87204069 573831364 /nfs/dbraw/zinc/83/13/64/573831364.db2.gz CCBICNGIXPAMOG-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 AEAERN O=C1CCC[C@H]1c1ccnc(F)c1 238531381 573831365 /nfs/dbraw/zinc/83/13/65/573831365.db2.gz JSOFSGIFVJBKNL-QMMMGPOBSA-N 0 0 179.194 2.057 10 0 AEAERN CCCCc1ccc2c(c1)[C@H](O)CO2 122827253 573831389 /nfs/dbraw/zinc/83/13/89/573831389.db2.gz POEIHQZBIZJUJB-LLVKDONJSA-N 0 0 192.258 2.455 10 0 AEAERN Cc1noc2c(Cl)cc(N)cc12 238531355 573831405 /nfs/dbraw/zinc/83/14/05/573831405.db2.gz GPUQLRZJADOKBY-UHFFFAOYSA-N 0 0 182.610 2.372 10 0 AEAERN Cc1cc(Cl)cc(CNO)c1C 258142889 573831480 /nfs/dbraw/zinc/83/14/80/573831480.db2.gz SPQYXZGVUWHPCO-UHFFFAOYSA-N 0 0 185.654 2.436 10 0 AEAERN OC[C@H]1CC(C2CCCCCC2)=NO1 84328964 573831484 /nfs/dbraw/zinc/83/14/84/573831484.db2.gz QMIHLELPKGMDRP-SNVBAGLBSA-N 0 0 197.278 2.094 10 0 AEAERN O=c1ccc(O)c2cc[nH]c(Cl)c1-2 258150982 573831489 /nfs/dbraw/zinc/83/14/89/573831489.db2.gz RZXWWLWLTVMDCT-UHFFFAOYSA-N 0 0 195.605 2.299 10 0 AEAERN CC[C@@H](C)C1(O)CCCC1 84327708 573831495 /nfs/dbraw/zinc/83/14/95/573831495.db2.gz CDLOOGDZRGWDJP-MRVPVSSYSA-N 0 0 142.242 2.338 10 0 AEAERN N=C1CCC(C2CCCCCC2)N=N1 84329050 573831504 /nfs/dbraw/zinc/83/15/04/573831504.db2.gz HLWAWVIUXOQCTJ-UHFFFAOYSA-N 0 0 193.294 2.464 10 0 AEAERN Cc1ccc2ccc(=O)ccc2c1O 238527080 573831530 /nfs/dbraw/zinc/83/15/30/573831530.db2.gz GSAPPVUHCLPDHA-UHFFFAOYSA-N 0 0 186.210 2.214 10 0 AEAERN Cc1nc2ccc3[nH]cnc3c2s1 238527393 573831609 /nfs/dbraw/zinc/83/16/09/573831609.db2.gz FTGMWTDWBDHODE-UHFFFAOYSA-N 0 0 189.243 2.481 10 0 AEAERN Cc1nc2ccc3[nH]cnc3c2o1 238527367 573831632 /nfs/dbraw/zinc/83/16/32/573831632.db2.gz CXGPPDMTWIHNAE-UHFFFAOYSA-N 0 0 173.175 2.013 10 0 AEAERN Cc1cc(F)cc2cnoc12 238531708 573831763 /nfs/dbraw/zinc/83/17/63/573831763.db2.gz RDPZRERUNZKILE-UHFFFAOYSA-N 0 0 151.140 2.275 10 0 AEAERN Cc1noc2cc([C@H](C)CO)ccc12 258142900 573831795 /nfs/dbraw/zinc/83/17/95/573831795.db2.gz SQDYOVBWDCZKMF-SSDOTTSWSA-N 0 0 191.230 2.232 10 0 AEAERN C[C@]1(C(=O)C2CCCC2)CCCO1 87226832 573835246 /nfs/dbraw/zinc/83/52/46/573835246.db2.gz GOLSHEJXEFNXBL-LLVKDONJSA-N 0 0 182.263 2.315 10 0 AEAERN C[C@@H](F)Cc1cccc(CNO)c1 258142897 573831871 /nfs/dbraw/zinc/83/18/71/573831871.db2.gz SPYMTOOARRBOCI-MRVPVSSYSA-N 0 0 183.226 2.066 10 0 AEAERN COc1cccc(C[C@@H](C)O)c1CF 258142890 573831904 /nfs/dbraw/zinc/83/19/04/573831904.db2.gz SPSFDORHTZMSSP-MRVPVSSYSA-N 0 0 198.237 2.088 10 0 AEAERN CC(=O)c1cccc(C)c1C=O 238146154 573831908 /nfs/dbraw/zinc/83/19/08/573831908.db2.gz ZSSNZJCZIZAAHY-UHFFFAOYSA-N 0 0 162.188 2.010 10 0 AEAERN Cc1ccc(O)c(C2=NCCC2)c1 238527756 573831932 /nfs/dbraw/zinc/83/19/32/573831932.db2.gz IECHGNJTFMWFJE-UHFFFAOYSA-N 0 0 175.231 2.284 10 0 AEAERN Cc1cc(N(C)C)c([C@H](C)O)cc1F 87225189 573831938 /nfs/dbraw/zinc/83/19/38/573831938.db2.gz YOXNPCBMGPPSNG-QMMMGPOBSA-N 0 0 197.253 2.253 10 0 AEAERN CN[C@H](CC(F)(F)F)C(F)(F)F 78677300 573831962 /nfs/dbraw/zinc/83/19/62/573831962.db2.gz BGZNZAKMGZNSGV-GSVOUGTGSA-N 0 0 195.106 2.089 10 0 AEAERN CCC(C)(C)N(C)c1cccnc1N 122822876 573831968 /nfs/dbraw/zinc/83/19/68/573831968.db2.gz AILXYKZSJKEQRJ-UHFFFAOYSA-N 0 0 193.294 2.289 10 0 AEAERN Nc1cccc([C@@H](F)[C@H]2CCOC2)c1 258141974 573831976 /nfs/dbraw/zinc/83/19/76/573831976.db2.gz RDIFXNYTWWGSHJ-GXSJLCMTSA-N 0 0 195.237 2.316 10 0 AEAERN CC(=O)c1cc(F)c(C)cc1N(C)C 87224879 573831978 /nfs/dbraw/zinc/83/19/78/573831978.db2.gz HRXVKVHEPBBESI-UHFFFAOYSA-N 0 0 195.237 2.403 10 0 AEAERN CC(C)(C)[C@@H](O)C[C@H]1C=CCCO1 238147639 573831989 /nfs/dbraw/zinc/83/19/89/573831989.db2.gz ZDBYPYHZVXUKPL-ZJUUUORDSA-N 0 0 184.279 2.129 10 0 AEAERN CC(C)=CCC[C@@H]1CCC(=O)N1 238146791 573832006 /nfs/dbraw/zinc/83/20/06/573832006.db2.gz GFKKLTBYLHSGMQ-SECBINFHSA-N 0 0 167.252 2.011 10 0 AEAERN CSC[C@@H](CO)C1CCCC1 258144127 573832032 /nfs/dbraw/zinc/83/20/32/573832032.db2.gz HACYTPUPLHQMEK-SECBINFHSA-N 0 0 174.309 2.148 10 0 AEAERN C[C@@]1([C@H](O)CC2CCC2)CCCO1 87226969 573832082 /nfs/dbraw/zinc/83/20/82/573832082.db2.gz CZAVYHQFMRWRNL-MNOVXSKESA-N 0 0 184.279 2.107 10 0 AEAERN Cc1cccc(N)c1[C@H]1CCCC1=O 238531672 573832091 /nfs/dbraw/zinc/83/20/91/573832091.db2.gz JGGQEUMQLHSWTQ-VIFPVBQESA-N 0 0 189.258 2.414 10 0 AEAERN CC(C)(C)[C@@H](O)Cc1ccccc1O 238147925 573832099 /nfs/dbraw/zinc/83/20/99/573832099.db2.gz FWLZNECGGBEVGO-NSHDSACASA-N 0 0 194.274 2.342 10 0 AEAERN CC(=O)[C@H]1CSc2ccccc21 87224162 573832110 /nfs/dbraw/zinc/83/21/10/573832110.db2.gz DNMJLTVCPJAQQT-SECBINFHSA-N 0 0 178.256 2.465 10 0 AEAERN CC[C@H]1CC(=O)Nc2ccccc2N1 84326925 573832121 /nfs/dbraw/zinc/83/21/21/573832121.db2.gz PMXHHDKSKLFUNV-QMMMGPOBSA-N 0 0 190.246 2.219 10 0 AEAERN NOCc1cc(F)cc(F)c1Cl 258142936 573832137 /nfs/dbraw/zinc/83/21/37/573832137.db2.gz SQXKIQVAVFOPJC-UHFFFAOYSA-N 0 0 193.580 2.009 10 0 AEAERN C[C@H](F)c1c(F)cccc1CCO 258142975 573832152 /nfs/dbraw/zinc/83/21/52/573832152.db2.gz SRPDODNKLGNYDJ-ZETCQYMHSA-N 0 0 186.201 2.391 10 0 AEAERN CCCCC(=O)O[C@H](C)C(=O)CC 308446055 573832179 /nfs/dbraw/zinc/83/21/79/573832179.db2.gz BEXUDIMXFDZWHL-MRVPVSSYSA-N 0 0 186.251 2.087 10 0 AEAERN COCc1cc(OC)ccc1C(C)=O 258142892 573832180 /nfs/dbraw/zinc/83/21/80/573832180.db2.gz SPTFSRMTVCMETK-UHFFFAOYSA-N 0 0 194.230 2.044 10 0 AEAERN Cc1nn(C(C)C)c(C)c1C(C)(C)O 258143587 573832193 /nfs/dbraw/zinc/83/21/93/573832193.db2.gz RHHYRBFUSIVICQ-UHFFFAOYSA-N 0 0 196.294 2.308 10 0 AEAERN C[C@@]1(C(=O)c2ccsc2)CCCO1 87226655 573832207 /nfs/dbraw/zinc/83/22/07/573832207.db2.gz VMAWMBQCGARJTJ-JTQLQIEISA-N 0 0 196.271 2.500 10 0 AEAERN C[C@H]1C[C@]1(CO)C1CCCC1 258964759 573832216 /nfs/dbraw/zinc/83/22/16/573832216.db2.gz HGLPBPSBFASILD-WCBMZHEXSA-N 0 0 154.253 2.195 10 0 AEAERN CONCc1cc(SC)ccc1C 258142894 573832228 /nfs/dbraw/zinc/83/22/28/573832228.db2.gz SPWFDLMVISXNOX-UHFFFAOYSA-N 0 0 197.303 2.368 10 0 AEAERN CC(C)(C)[C@@H](O)C[C@@H]1C=CCCO1 238147802 573832257 /nfs/dbraw/zinc/83/22/57/573832257.db2.gz ZDBYPYHZVXUKPL-UWVGGRQHSA-N 0 0 184.279 2.129 10 0 AEAERN CCCOC(=O)c1cccn1CC 87222795 573832261 /nfs/dbraw/zinc/83/22/61/573832261.db2.gz WJCXWTYRVDGGKU-UHFFFAOYSA-N 0 0 181.235 2.075 10 0 AEAERN Cc1cc(CCON)c(C)c(C)c1C 258143108 573832289 /nfs/dbraw/zinc/83/22/89/573832289.db2.gz STRUNQSJSRYNST-UHFFFAOYSA-N 0 0 193.290 2.353 10 0 AEAERN CC(C)[NH2+][C@H]1CCCCC[C@@H]1C(=O)[O-] 87221420 573832334 /nfs/dbraw/zinc/83/23/34/573832334.db2.gz JOIFWDYBJQDXIW-UWVGGRQHSA-N 0 0 199.294 2.018 10 0 AEAERN C[C@]1(C(=O)c2cccs2)CCCO1 87226814 573832352 /nfs/dbraw/zinc/83/23/52/573832352.db2.gz HPEUKBYDYXRQBX-SNVBAGLBSA-N 0 0 196.271 2.500 10 0 AEAERN Nc1cccc([C@H](F)[C@H]2CCOC2)c1 258141980 573832411 /nfs/dbraw/zinc/83/24/11/573832411.db2.gz RDIFXNYTWWGSHJ-ONGXEEELSA-N 0 0 195.237 2.316 10 0 AEAERN CC[C@@H]1CC(=O)Nc2ccccc2N1 84326923 573832413 /nfs/dbraw/zinc/83/24/13/573832413.db2.gz PMXHHDKSKLFUNV-MRVPVSSYSA-N 0 0 190.246 2.219 10 0 AEAERN CC(C)=CCC[C@H]1CCOC(=O)N1 238149416 573832451 /nfs/dbraw/zinc/83/24/51/573832451.db2.gz IATUAEWLAGCPGX-VIFPVBQESA-N 0 0 183.251 2.231 10 0 AEAERN CC(C)CCC1(O)CCC1 84327706 573832473 /nfs/dbraw/zinc/83/24/73/573832473.db2.gz KWPFVJIQYUXDSO-UHFFFAOYSA-N 0 0 142.242 2.338 10 0 AEAERN Cc1noc(C)c1C(=O)OC(C)(C)C 87222860 573832495 /nfs/dbraw/zinc/83/24/95/573832495.db2.gz FMUINXLDMBLQAO-UHFFFAOYSA-N 0 0 197.234 2.247 10 0 AEAERN CC(C)CC(=O)[C@]1(C)CCCO1 87226618 573832503 /nfs/dbraw/zinc/83/25/03/573832503.db2.gz QOVXSFRNKJQZIM-JTQLQIEISA-N 0 0 170.252 2.171 10 0 AEAERN CCC(CC)c1nnc2cnccn12 100895560 573832508 /nfs/dbraw/zinc/83/25/08/573832508.db2.gz IQLMBKJWUMKORC-UHFFFAOYSA-N 0 0 190.250 2.028 10 0 AEAERN CC(C)(C)[C@@H](O)[C@H]1C=CCC1 238148443 573832546 /nfs/dbraw/zinc/83/25/46/573832546.db2.gz KXEUKGMOLQUPSK-IUCAKERBSA-N 0 0 154.253 2.360 10 0 AEAERN C[C@@H]1C[C@@]1(CO)C1CCCC1 258964755 573832565 /nfs/dbraw/zinc/83/25/65/573832565.db2.gz HGLPBPSBFASILD-SCZZXKLOSA-N 0 0 154.253 2.195 10 0 AEAERN O[C@]1(C2CCCC2)CCSC1 84332447 573835235 /nfs/dbraw/zinc/83/52/35/573835235.db2.gz GJWDZPGGJXRYKB-SECBINFHSA-N 0 0 172.293 2.045 10 0 AEAERN Cc1cccc(NC(C)(C)CO)c1C 238533603 573835259 /nfs/dbraw/zinc/83/52/59/573835259.db2.gz HGWQGXMIAPBRKZ-UHFFFAOYSA-N 0 0 193.290 2.486 10 0 AEAERN COc1ccc(C)c(C(C)(C)CO)c1 258153063 573835375 /nfs/dbraw/zinc/83/53/75/573835375.db2.gz UKBLOZYGDILKOC-UHFFFAOYSA-N 0 0 194.274 2.274 10 0 AEAERN Cc1ccc(C(=O)OC(C)(C)C)n1C 87222728 573835376 /nfs/dbraw/zinc/83/53/76/573835376.db2.gz QOZJGFRNFSMDKK-UHFFFAOYSA-N 0 0 195.262 2.289 10 0 AEAERN O[C@H]1CCO[C@H](C2CCCCCC2)C1 84330569 573835379 /nfs/dbraw/zinc/83/53/79/573835379.db2.gz QUPYZUSYECSMKL-RYUDHWBXSA-N 0 0 198.306 2.497 10 0 AEAERN Cc1cc(-c2cccc(C)c2O)n[nH]1 238532723 573835388 /nfs/dbraw/zinc/83/53/88/573835388.db2.gz GTTUDXJRCUSAJI-UHFFFAOYSA-N 0 0 188.230 2.399 10 0 AEAERN COC(=O)c1cc(Cl)cn1C1CC1 87222735 573835412 /nfs/dbraw/zinc/83/54/12/573835412.db2.gz NUDJYOKEUDNLRX-UHFFFAOYSA-N 0 0 199.637 2.263 10 0 AEAERN COCCCc1ccc([C@H](C)O)cc1 259575147 573835442 /nfs/dbraw/zinc/83/54/42/573835442.db2.gz XRRDPZXEOWBGRP-JTQLQIEISA-N 0 0 194.274 2.319 10 0 AEAERN CC(C)OCc1ccc(N)c(F)c1 87225682 573835474 /nfs/dbraw/zinc/83/54/74/573835474.db2.gz BDNAJKFSKTZANT-UHFFFAOYSA-N 0 0 183.226 2.333 10 0 AEAERN CCCCN(C)c1cncc(F)c1 308448080 573835493 /nfs/dbraw/zinc/83/54/93/573835493.db2.gz CDAWSKZCOJOEFC-UHFFFAOYSA-N 0 0 182.242 2.457 10 0 AEAERN COCCCC[C@@](C)(CO)C1CC1 131418948 573835496 /nfs/dbraw/zinc/83/54/96/573835496.db2.gz GVWKREDRTKWCFG-NSHDSACASA-N 0 0 186.295 2.212 10 0 AEAERN C[C@@]1([C@@H](O)C2CCCC2)CCCO1 87227322 573835507 /nfs/dbraw/zinc/83/55/07/573835507.db2.gz LWDDATUSYHQRHT-QWRGUYRKSA-N 0 0 184.279 2.107 10 0 AEAERN COc1cc(C)c(F)cc1C(C)=O 87224893 573835515 /nfs/dbraw/zinc/83/55/15/573835515.db2.gz VEKDPPWDZSHMAD-UHFFFAOYSA-N 0 0 182.194 2.345 10 0 AEAERN Cc1ncc(C(=O)C(C)C)s1 84331617 573835518 /nfs/dbraw/zinc/83/55/18/573835518.db2.gz MMUUNRGDIPEERO-UHFFFAOYSA-N 0 0 169.249 2.290 10 0 AEAERN CCC[C@@H](OCC)C(=O)c1ccc[nH]1 308448046 573835525 /nfs/dbraw/zinc/83/55/25/573835525.db2.gz BLCUMVBKXHLZLX-SNVBAGLBSA-N 0 0 195.262 2.403 10 0 AEAERN COCCCC[C@H](CO)C(C)(C)C 131418559 573835564 /nfs/dbraw/zinc/83/55/64/573835564.db2.gz WEHOAXAUQOVASV-SNVBAGLBSA-N 0 0 188.311 2.458 10 0 AEAERN C[C@]1([C@H](O)c2ccsc2)CCCO1 87227522 573835597 /nfs/dbraw/zinc/83/55/97/573835597.db2.gz LDBSJUMSPIREMZ-NXEZZACHSA-N 0 0 198.287 2.351 10 0 AEAERN OC1(c2cccc(F)c2)CCC1 84330772 573835601 /nfs/dbraw/zinc/83/56/01/573835601.db2.gz JLPYPNPOSVCVBF-UHFFFAOYSA-N 0 0 166.195 2.197 10 0 AEAERN Cc1cc(-c2ccc(N)s2)n[nH]1 238532289 573835619 /nfs/dbraw/zinc/83/56/19/573835619.db2.gz BPAKHAKXASUJSZ-UHFFFAOYSA-N 0 0 179.248 2.029 10 0 AEAERN C[C@]12C[C@H]1[C@@H](O)C=C2c1ccccc1 238533195 573835650 /nfs/dbraw/zinc/83/56/50/573835650.db2.gz WKBYIXOQVYXORZ-RWMBFGLXSA-N 0 0 186.254 2.471 10 0 AEAERN Cc1cc(-c2ccc(N)s2)no1 238532309 573835656 /nfs/dbraw/zinc/83/56/56/573835656.db2.gz XFLPGWOJRWFCFV-UHFFFAOYSA-N 0 0 180.232 2.294 10 0 AEAERN Cc1c(C(N)=O)ccc2ccsc12 238532899 573835693 /nfs/dbraw/zinc/83/56/93/573835693.db2.gz UTNWSDTZTIUXQD-UHFFFAOYSA-N 0 0 191.255 2.309 10 0 AEAERN CC(C)([NH3+])c1cccc([S-])c1 238155434 573835696 /nfs/dbraw/zinc/83/56/96/573835696.db2.gz PJBAUILEFHYNEE-UHFFFAOYSA-N 0 0 167.277 2.169 10 0 AEAERN O[C@H]1CCO[C@@H](C2CCCCCC2)C1 84330570 573835700 /nfs/dbraw/zinc/83/57/00/573835700.db2.gz QUPYZUSYECSMKL-NWDGAFQWSA-N 0 0 198.306 2.497 10 0 AEAERN C[C@@]1(c2nccc(Cl)n2)CCCO1 87226562 573835703 /nfs/dbraw/zinc/83/57/03/573835703.db2.gz JWKMPOASPGUXLE-VIFPVBQESA-N 0 0 198.653 2.156 10 0 AEAERN CC(C)CNC(=O)/C(Cl)=C/Cl 238155911 573835745 /nfs/dbraw/zinc/83/57/45/573835745.db2.gz FQCSAVHDHJZRKG-UTCJRWHESA-N 0 0 196.077 2.078 10 0 AEAERN Cc1cc(Cl)c2[nH]nc(N)c2c1 238533528 573835760 /nfs/dbraw/zinc/83/57/60/573835760.db2.gz PKDRWBGSXYSIEI-UHFFFAOYSA-N 0 0 181.626 2.107 10 0 AEAERN OC1(Cc2ccccc2F)CCC1 84335414 573835786 /nfs/dbraw/zinc/83/57/86/573835786.db2.gz WYLMBCRYASOKJJ-UHFFFAOYSA-N 0 0 180.222 2.283 10 0 AEAERN C[C@@]12CC(=O)C[C@@]13C=C[C@H](C3)C2 238533382 573835788 /nfs/dbraw/zinc/83/57/88/573835788.db2.gz MWDGRENZCZGEQX-GDPRMGEGSA-N 0 0 162.232 2.322 10 0 AEAERN Cc1cc(C[NH2+]CC2(F)CC2)c(C)o1 308762553 573835789 /nfs/dbraw/zinc/83/57/89/573835789.db2.gz 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/nfs/dbraw/zinc/83/59/62/573835962.db2.gz PXFOOGCACLSVJR-NSHDSACASA-N 0 0 194.274 2.393 10 0 AEAERN OC1(C2CCCCC2)CSC1 84332449 573835972 /nfs/dbraw/zinc/83/59/72/573835972.db2.gz UQJSCLYKUAGJEM-UHFFFAOYSA-N 0 0 172.293 2.045 10 0 AEAERN CC(=O)N[C@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2 238141720 573835983 /nfs/dbraw/zinc/83/59/83/573835983.db2.gz UNOCGOIAIDYMRR-SCVCMEIPSA-N 0 0 195.306 2.337 10 0 AEAERN C[C@]1([C@@H](O)c2ccccc2)CCCO1 87227030 573836032 /nfs/dbraw/zinc/83/60/32/573836032.db2.gz IITRGZQDCMFSJF-NWDGAFQWSA-N 0 0 192.258 2.289 10 0 AEAERN Cc1ncc(C(=O)C2CC2)s1 84331223 573836035 /nfs/dbraw/zinc/83/60/35/573836035.db2.gz SNWZZUCSVMYXFD-UHFFFAOYSA-N 0 0 167.233 2.044 10 0 AEAERN CC(C)C[C@H]1C=CNC(=S)C1 238155568 573837404 /nfs/dbraw/zinc/83/74/04/573837404.db2.gz BCNCAWRMWSVNAA-MRVPVSSYSA-N 0 0 169.293 2.483 10 0 AEAERN CC(C)=CCC(=O)Nc1ccccn1 238140808 573837408 /nfs/dbraw/zinc/83/74/08/573837408.db2.gz VVRPAEPPODCAJU-UHFFFAOYSA-N 0 0 190.246 2.376 10 0 AEAERN CC/C=C/COC(=O)c1ccco1 308448105 573837418 /nfs/dbraw/zinc/83/74/18/573837418.db2.gz CEMHPDBZYWEDBJ-ONEGZZNKSA-N 0 0 180.203 2.403 10 0 AEAERN CC/C=C(/C)C(=O)NC(C)(C)CF 308448583 573837434 /nfs/dbraw/zinc/83/74/34/573837434.db2.gz CIJZCCPYXFHTNI-VURMDHGXSA-N 0 0 187.258 2.207 10 0 AEAERN COCCCc1ccc([C@@H](C)O)cc1 259575149 573837482 /nfs/dbraw/zinc/83/74/82/573837482.db2.gz XRRDPZXEOWBGRP-SNVBAGLBSA-N 0 0 194.274 2.319 10 0 AEAERN CCCN(Cc1ccccc1N)OC 308448332 573837488 /nfs/dbraw/zinc/83/74/88/573837488.db2.gz AHRVRVCFGZDXCX-UHFFFAOYSA-N 0 0 194.278 2.042 10 0 AEAERN Cc1cc([C@@H](C)CO)cc2c1OCC2 258152980 573837594 /nfs/dbraw/zinc/83/75/94/573837594.db2.gz UHHUKMKYIJXXKE-VIFPVBQESA-N 0 0 192.258 2.026 10 0 AEAERN COC(=O)[C@]1(c2ccccc2)C[C@@H]1C 258965797 573837622 /nfs/dbraw/zinc/83/76/22/573837622.db2.gz HLEMLDVSEKSFBK-JOYOIKCWSA-N 0 0 190.242 2.137 10 0 AEAERN O=C1N[C@H](C2CCCCCC2)CO1 84330795 573837653 /nfs/dbraw/zinc/83/76/53/573837653.db2.gz XFFKFFMRHKCTNC-VIFPVBQESA-N 0 0 183.251 2.065 10 0 AEAERN CC[C@@H](C)OC[C@@]1(CO)C[C@@H]2C[C@@H]2C1 308451394 573837657 /nfs/dbraw/zinc/83/76/57/573837657.db2.gz BPELNEXXWFQWOD-WISYIIOYSA-N 0 0 198.306 2.210 10 0 AEAERN CO[C@H](c1ccccc1)C(C)(C)CO 308449486 573837665 /nfs/dbraw/zinc/83/76/65/573837665.db2.gz PXFOOGCACLSVJR-LLVKDONJSA-N 0 0 194.274 2.393 10 0 AEAERN CCC(O)(CC)Cc1ccoc1 84331419 573837720 /nfs/dbraw/zinc/83/77/20/573837720.db2.gz JDKMDOKYBKRDKO-UHFFFAOYSA-N 0 0 168.236 2.373 10 0 AEAERN COC(=O)[C@@]1(c2ccccc2)C[C@@H]1C 258965795 573837808 /nfs/dbraw/zinc/83/78/08/573837808.db2.gz HLEMLDVSEKSFBK-CABZTGNLSA-N 0 0 190.242 2.137 10 0 AEAERN Cc1c(C(F)F)cnc(F)c1O 238535185 573837815 /nfs/dbraw/zinc/83/78/15/573837815.db2.gz VNOIZPKRFIPFSC-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN Cc1ccc([C@H](O)C[C@@]2(C)CO2)cc1 238533953 573837848 /nfs/dbraw/zinc/83/78/48/573837848.db2.gz GTZMCTYKFOJREX-NEPJUHHUSA-N 0 0 192.258 2.207 10 0 AEAERN CC(C)C[C@@H]1C=CCC1=O 238155182 573837865 /nfs/dbraw/zinc/83/78/65/573837865.db2.gz 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DGYGOPIZMTWNQH-UHFFFAOYSA-N 0 0 188.267 2.145 10 0 AEAERN OCCc1ccc2[nH]cc(Cl)c2c1 258150525 573842474 /nfs/dbraw/zinc/84/24/74/573842474.db2.gz TZQSAVKSLAXWBV-UHFFFAOYSA-N 0 0 195.649 2.356 10 0 AEAERN Cc1ccc(C(F)(F)[C@H](C)O)cc1 257887306 573841915 /nfs/dbraw/zinc/84/19/15/573841915.db2.gz MVCYZPUYYAOAQP-QMMMGPOBSA-N 0 0 186.201 2.468 10 0 AEAERN Cc1cc(C)c(C(F)F)nc1CO 238535548 573841921 /nfs/dbraw/zinc/84/19/21/573841921.db2.gz DHBXRUSGSGOKAZ-UHFFFAOYSA-N 0 0 187.189 2.128 10 0 AEAERN Cc1c[nH]c(=O)cc1C(F)F 238534684 573841962 /nfs/dbraw/zinc/84/19/62/573841962.db2.gz WJOZRJFONDWBEG-UHFFFAOYSA-N 0 0 159.135 2.033 10 0 AEAERN O=C1CCC[C@@H]1c1ccnc(F)c1 238535344 573841996 /nfs/dbraw/zinc/84/19/96/573841996.db2.gz JSOFSGIFVJBKNL-MRVPVSSYSA-N 0 0 179.194 2.057 10 0 AEAERN O=C1CC[C@H](c2ccnc(F)c2)C1 238534913 573842022 /nfs/dbraw/zinc/84/20/22/573842022.db2.gz VKAACRHVMSTFPI-ZETCQYMHSA-N 0 0 179.194 2.057 10 0 AEAERN Cn1ncc2ccc3[nH]ccc3c21 238534570 573842074 /nfs/dbraw/zinc/84/20/74/573842074.db2.gz NEWGEVBOXMAVAX-UHFFFAOYSA-N 0 0 171.203 2.055 10 0 AEAERN CC(=O)c1cccc(OC(C)C)c1N 238157765 573842101 /nfs/dbraw/zinc/84/21/01/573842101.db2.gz MWDKHWQARCPKHI-UHFFFAOYSA-N 0 0 193.246 2.259 10 0 AEAERN Cc1nc(-c2ccc(O)cc2)co1 238533866 573842104 /nfs/dbraw/zinc/84/21/04/573842104.db2.gz AAEZFMZOPVALCZ-UHFFFAOYSA-N 0 0 175.187 2.356 10 0 AEAERN CCc1c(N)nnn1[C@@H](C)CC(C)C 308451797 573842143 /nfs/dbraw/zinc/84/21/43/573842143.db2.gz CNGDQUWFELROQA-QMMMGPOBSA-N 0 0 196.298 2.030 10 0 AEAERN C[C@@]1([C@H](O)C2=CCCC2)CCCO1 87230858 573842176 /nfs/dbraw/zinc/84/21/76/573842176.db2.gz ZMKBAFUVOPNIKW-MNOVXSKESA-N 0 0 182.263 2.027 10 0 AEAERN CN1C(=O)c2cc(N)cc3cccc1c23 238524002 573842195 /nfs/dbraw/zinc/84/21/95/573842195.db2.gz SWRVEKKBVUCXNO-UHFFFAOYSA-N 0 0 198.225 2.012 10 0 AEAERN CC(C)NC(=O)c1ccccc1N=O 238157423 573842197 /nfs/dbraw/zinc/84/21/97/573842197.db2.gz GFGFOSNQQLUJBG-UHFFFAOYSA-N 0 0 192.218 2.223 10 0 AEAERN Cc1c([C@H](C)O)cc2c(c1C)OCO2 258150484 573842227 /nfs/dbraw/zinc/84/22/27/573842227.db2.gz TZCLUIWXXFRXCG-QMMMGPOBSA-N 0 0 194.230 2.085 10 0 AEAERN C[C@H]1C[C@@H](CO)CC(C)(C)C1 84348618 573842258 /nfs/dbraw/zinc/84/22/58/573842258.db2.gz YGHNAAWIOKMTJB-DTWKUNHWSA-N 0 0 156.269 2.441 10 0 AEAERN CC(=O)c1cnc([C@@H]2CCCCO2)o1 257886001 573842261 /nfs/dbraw/zinc/84/22/61/573842261.db2.gz AQFZUXVXPVSMSG-QMMMGPOBSA-N 0 0 195.218 2.119 10 0 AEAERN CC(=O)[C@@H]1C[C@@H](C(C)C)O[C@@H]1C 238158333 573842267 /nfs/dbraw/zinc/84/22/67/573842267.db2.gz PAGXVQWZVIOGAE-UTLUCORTSA-N 0 0 170.252 2.025 10 0 AEAERN CC[C@H](C)C[C@H](CC)CO 84348595 573842295 /nfs/dbraw/zinc/84/22/95/573842295.db2.gz NRZVENBFUFCASY-IUCAKERBSA-N 0 0 144.258 2.441 10 0 AEAERN C[C@@H]1CCC[C@@H](CO)[C@@H]1C 84348440 573842356 /nfs/dbraw/zinc/84/23/56/573842356.db2.gz HKVFMWLTWZCJHY-HLTSFMKQSA-N 0 0 142.242 2.051 10 0 AEAERN C[C@@H]1CC[C@@H](C)[C@H](CO)C1 84348375 573842400 /nfs/dbraw/zinc/84/24/00/573842400.db2.gz PTCZBWOCBSVMCR-HLTSFMKQSA-N 0 0 142.242 2.051 10 0 AEAERN Cc1oc(C=O)cc1Cl 258443085 573847119 /nfs/dbraw/zinc/84/71/19/573847119.db2.gz FDMNHHZKJHFIIE-UHFFFAOYSA-N 0 0 144.557 2.054 10 0 AEAERN CC(=O)c1nccc2[nH]c(C)cc12 238159194 573847141 /nfs/dbraw/zinc/84/71/41/573847141.db2.gz IMYYJXWLASXFMX-UHFFFAOYSA-N 0 0 174.203 2.074 10 0 AEAERN CC(C)NC(Cl)(Cl)NC(C)C 238160626 573847164 /nfs/dbraw/zinc/84/71/64/573847164.db2.gz GAFVLLROVMZLFB-UHFFFAOYSA-N 0 0 199.125 2.071 10 0 AEAERN CC(C)=CNC(=O)c1ccccc1O 238160748 573847177 /nfs/dbraw/zinc/84/71/77/573847177.db2.gz FCUWLVSVMJNTSH-UHFFFAOYSA-N 0 0 191.230 2.046 10 0 AEAERN COCc1ccc(F)c(C(C)(C)O)c1 258158089 573847190 /nfs/dbraw/zinc/84/71/90/573847190.db2.gz UWJHHLNKUVYEDX-UHFFFAOYSA-N 0 0 198.237 2.200 10 0 AEAERN COc1c(C)ccc(F)c1C1(O)CC1 258158090 573847197 /nfs/dbraw/zinc/84/71/97/573847197.db2.gz UWLCHIIJESMUTA-UHFFFAOYSA-N 0 0 196.221 2.124 10 0 AEAERN COC[C@@H](C)C[C@@H](O)C1CCCC1 127400093 573847202 /nfs/dbraw/zinc/84/72/02/573847202.db2.gz BNUFWTSSJRAMAP-GXSJLCMTSA-N 0 0 186.295 2.210 10 0 AEAERN CC/C=C(\C)C(=O)N[C@@H]1CC[C@@H]1C 308453312 573846417 /nfs/dbraw/zinc/84/64/17/573846417.db2.gz FFJZIYDEMZMQPK-UHHLUOIISA-N 0 0 181.279 2.257 10 0 AEAERN Cc1nc(-c2ccco2)c(CO)s1 238536357 573846420 /nfs/dbraw/zinc/84/64/20/573846420.db2.gz ORJRQBFAKYSTBQ-UHFFFAOYSA-N 0 0 195.243 2.204 10 0 AEAERN Cc1cc(Cl)cc(C[C@@H]2CO2)c1O 238535631 573846443 /nfs/dbraw/zinc/84/64/43/573846443.db2.gz RKPKILHMGLWSBO-SECBINFHSA-N 0 0 198.649 2.295 10 0 AEAERN CC(=O)c1nccc2ccsc12 238159557 573846458 /nfs/dbraw/zinc/84/64/58/573846458.db2.gz WYOGVCUUXOBWKV-UHFFFAOYSA-N 0 0 177.228 2.499 10 0 AEAERN c1ccc2c(c1)N[C@@H]1CCCN21 101172166 573846650 /nfs/dbraw/zinc/84/66/50/573846650.db2.gz GPQIJNYAHNOQSB-JTQLQIEISA-N 0 0 160.220 2.038 10 0 AEAERN CC(C)(F)c1cccc(CCON)c1 258158096 573846680 /nfs/dbraw/zinc/84/66/80/573846680.db2.gz UWUOQUMCRMAMKJ-UHFFFAOYSA-N 0 0 197.253 2.324 10 0 AEAERN Fc1cccc([C@@H]2CCCOC2)n1 238536902 573846718 /nfs/dbraw/zinc/84/67/18/573846718.db2.gz SRADUVRYHQWENN-MRVPVSSYSA-N 0 0 181.210 2.115 10 0 AEAERN CC(C)NC(=S)c1ccc(F)cc1 238159946 573846738 /nfs/dbraw/zinc/84/67/38/573846738.db2.gz GYUKNUKRXCGNNA-UHFFFAOYSA-N 0 0 197.278 2.499 10 0 AEAERN C[C@@H]1CCC[C@@H](C[C@@H](NN)C2CC2)C1 308452870 573846769 /nfs/dbraw/zinc/84/67/69/573846769.db2.gz ALVVXVXVPWMABA-CKYFFXLPSA-N 0 0 196.338 2.445 10 0 AEAERN Cc1ccc2nccc(C)c2c1N 238537353 573846855 /nfs/dbraw/zinc/84/68/55/573846855.db2.gz PUKMVYRQJRXBSD-UHFFFAOYSA-N 0 0 172.231 2.434 10 0 AEAERN Cc1nc(F)c(C(F)F)cc1C=O 238536578 573846876 /nfs/dbraw/zinc/84/68/76/573846876.db2.gz SIPGALQQXBJSGG-UHFFFAOYSA-N 0 0 189.136 2.279 10 0 AEAERN Cc1cc(F)c(F)c(C2(O)CC2)c1 258150714 573846881 /nfs/dbraw/zinc/84/68/81/573846881.db2.gz UDKNJZKPIIPLHA-UHFFFAOYSA-N 0 0 184.185 2.255 10 0 AEAERN Cc1oc(C)c2c1CCCC2=O 238537101 573846893 /nfs/dbraw/zinc/84/68/93/573846893.db2.gz GOLVEVRWEHFDHE-UHFFFAOYSA-N 0 0 164.204 2.415 10 0 AEAERN CCc1c[nH]c(=O)c2cccc(N)c12 258159376 573846899 /nfs/dbraw/zinc/84/68/99/573846899.db2.gz LRSLYLRGYCVOBG-UHFFFAOYSA-N 0 0 188.230 2.085 10 0 AEAERN C[C@@H]1CCC[C@H](C[C@@H](NN)C2CC2)C1 308452873 573846927 /nfs/dbraw/zinc/84/69/27/573846927.db2.gz ALVVXVXVPWMABA-JFGNBEQYSA-N 0 0 196.338 2.445 10 0 AEAERN C[C@@H]1CCC[C@@H](C[C@H](NN)C2CC2)C1 308452871 573846946 /nfs/dbraw/zinc/84/69/46/573846946.db2.gz ALVVXVXVPWMABA-FOGDFJRCSA-N 0 0 196.338 2.445 10 0 AEAERN CSc1c(O)cccc1[C@@H](C)O 258150730 573846971 /nfs/dbraw/zinc/84/69/71/573846971.db2.gz UDSMEJJCGYBWLJ-ZCFIWIBFSA-N 0 0 184.260 2.167 10 0 AEAERN Oc1ccc(Cl)c(C2(O)CC2)c1 258160728 573846982 /nfs/dbraw/zinc/84/69/82/573846982.db2.gz VCUAYQGGBFBAHM-UHFFFAOYSA-N 0 0 184.622 2.027 10 0 AEAERN CCN1CCc2cccc([C@@H](C)O)c21 257888543 573846992 /nfs/dbraw/zinc/84/69/92/573846992.db2.gz KVQJHYSRXMXTOA-SECBINFHSA-N 0 0 191.274 2.122 10 0 AEAERN COc1ccc(C)cc1CC1(O)CC1 258160713 573846996 /nfs/dbraw/zinc/84/69/96/573846996.db2.gz VBXKGIIFGXVKPG-UHFFFAOYSA-N 0 0 192.258 2.071 10 0 AEAERN CC(=O)c1nccc2oc(C)cc12 238159739 573847022 /nfs/dbraw/zinc/84/70/22/573847022.db2.gz XUQVLSLHTHTCNR-UHFFFAOYSA-N 0 0 175.187 2.339 10 0 AEAERN Cc1nc(F)c(C(F)F)cc1O 238536878 573847031 /nfs/dbraw/zinc/84/70/31/573847031.db2.gz WBPSIQWBJKWNJE-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN Cc1cnc(Oc2ccc(O)cc2)o1 257887874 573847055 /nfs/dbraw/zinc/84/70/55/573847055.db2.gz LSBNQNTXCOMIAE-UHFFFAOYSA-N 0 0 191.186 2.481 10 0 AEAERN CC(C)NC(=S)c1cccs1 238160103 573847115 /nfs/dbraw/zinc/84/71/15/573847115.db2.gz HGCXVDBHCCFXPJ-UHFFFAOYSA-N 0 0 185.317 2.422 10 0 AEAERN Cc1cc(F)cnc1C(F)F 238537528 573847824 /nfs/dbraw/zinc/84/78/24/573847824.db2.gz RQDUSUPATZOVJH-UHFFFAOYSA-N 0 0 161.126 2.467 10 0 AEAERN Cc1cc(C)c(C=O)c(N)c1C 238537763 573847849 /nfs/dbraw/zinc/84/78/49/573847849.db2.gz FTPVLYKKAMGJOL-UHFFFAOYSA-N 0 0 163.220 2.007 10 0 AEAERN COCCCC[C@@H]1CC[C@H](O)[C@@H]1C 131329684 573847864 /nfs/dbraw/zinc/84/78/64/573847864.db2.gz XNEVJYRCKYYEEC-MXWKQRLJSA-N 0 0 186.295 2.210 10 0 AEAERN Cc1nc(F)c(O)cc1C(F)F 238537624 573847867 /nfs/dbraw/zinc/84/78/67/573847867.db2.gz RSABZEOVGYHTJF-UHFFFAOYSA-N 0 0 177.125 2.172 10 0 AEAERN CC(C)C[C@@H](O)[C@@H]1C=CCC1 238152993 573847871 /nfs/dbraw/zinc/84/78/71/573847871.db2.gz FUSDUFKPSILUGS-NXEZZACHSA-N 0 0 154.253 2.360 10 0 AEAERN CC(C)[C@@H]1CC[C@](C)(CO)C(=O)C1 238152666 573847896 /nfs/dbraw/zinc/84/78/96/573847896.db2.gz IAZWVSCPVVCXPN-MWLCHTKSSA-N 0 0 184.279 2.010 10 0 AEAERN NOCCc1ccc(CCCF)cc1 258160570 573847229 /nfs/dbraw/zinc/84/72/29/573847229.db2.gz UXVLYZIHNNBPPG-UHFFFAOYSA-N 0 0 197.253 2.022 10 0 AEAERN CCOc1ccc(C2(O)CCC2)cc1 84352589 573847245 /nfs/dbraw/zinc/84/72/45/573847245.db2.gz PDIDQCASSWIKGL-UHFFFAOYSA-N 0 0 192.258 2.457 10 0 AEAERN C[C@@H]1CSc2cccc(CON)c21 258159995 573847247 /nfs/dbraw/zinc/84/72/47/573847247.db2.gz RMXIYSIVCSSVLZ-SSDOTTSWSA-N 0 0 195.287 2.286 10 0 AEAERN C[C@H](F)c1ccc(O)c(C[C@@H](C)O)c1 258150694 573847262 /nfs/dbraw/zinc/84/72/62/573847262.db2.gz UDCMNBJCPYHMBM-SFYZADRCSA-N 0 0 198.237 2.346 10 0 AEAERN Cc1cc(CC[C@H](C)O)cc(C)c1O 84350592 573847421 /nfs/dbraw/zinc/84/74/21/573847421.db2.gz AEXXRXRRXGYHSI-JTQLQIEISA-N 0 0 194.274 2.322 10 0 AEAERN C[C@H](O)Cc1cc([C@@H](C)F)ccc1O 258150692 573847529 /nfs/dbraw/zinc/84/75/29/573847529.db2.gz UDCMNBJCPYHMBM-JGVFFNPUSA-N 0 0 198.237 2.346 10 0 AEAERN Cc1cc2c(O)c([C@@H](C)O)ccc2[nH]1 258158043 573847546 /nfs/dbraw/zinc/84/75/46/573847546.db2.gz UUTVTKRWKUBWTJ-SSDOTTSWSA-N 0 0 191.230 2.235 10 0 AEAERN CC(C)CCOc1cc(N)ccn1 43569454 573847568 /nfs/dbraw/zinc/84/75/68/573847568.db2.gz LLVPBMLLUUYEKY-UHFFFAOYSA-N 0 0 180.251 2.089 10 0 AEAERN COCCCC[C@H]1CCC[C@H](O)C1 131323931 573847581 /nfs/dbraw/zinc/84/75/81/573847581.db2.gz HRUPUJPKIPNTGJ-QWRGUYRKSA-N 0 0 186.295 2.354 10 0 AEAERN CSC[C@@H](CO)CC(C)(C)C 258158235 573847653 /nfs/dbraw/zinc/84/76/53/573847653.db2.gz NIBGVIXWWPBNAS-MRVPVSSYSA-N 0 0 176.325 2.394 10 0 AEAERN C/C(=C/c1cc(O)cc(F)c1)[C@H](C)O 308452683 573847740 /nfs/dbraw/zinc/84/77/40/573847740.db2.gz UDPQULVZGCDRIO-PFPYCLJUSA-N 0 0 196.221 2.315 10 0 AEAERN Cc1cc(F)cnc1OC1CCC1 238537730 573847763 /nfs/dbraw/zinc/84/77/63/573847763.db2.gz ASNFZSSDTJIZRV-UHFFFAOYSA-N 0 0 181.210 2.460 10 0 AEAERN CC/C=C(\C)C(=O)N[C@@H]1CC[C@H]1C 308453304 573847805 /nfs/dbraw/zinc/84/78/05/573847805.db2.gz FFJZIYDEMZMQPK-QCHKVSTKSA-N 0 0 181.279 2.257 10 0 AEAERN Cc1cc(CC[C@@H](C)O)cc(C)c1O 84350590 573847807 /nfs/dbraw/zinc/84/78/07/573847807.db2.gz AEXXRXRRXGYHSI-SNVBAGLBSA-N 0 0 194.274 2.322 10 0 AEAERN C[C@H]1CNc2ccc(F)cc2NC1 87261480 573859289 /nfs/dbraw/zinc/85/92/89/573859289.db2.gz WGCBMEPJFDJVRB-ZETCQYMHSA-N 0 0 180.226 2.299 10 0 AEAERN O[C@H]1C[C@@H](/C=C\c2ccccc2)CO1 308456183 573859294 /nfs/dbraw/zinc/85/92/94/573859294.db2.gz WVHGKMTVXJODMP-UXFRKABBSA-N 0 0 190.242 2.055 10 0 AEAERN Fc1ccc2c(c1)N[C@@H](C1CC1)CN2 87262421 573859297 /nfs/dbraw/zinc/85/92/97/573859297.db2.gz LPEJSUKEEILCED-LLVKDONJSA-N 0 0 192.237 2.442 10 0 AEAERN O=C(C(C1CC1)C1CC1)[C@H]1CCOC1 308456775 573859314 /nfs/dbraw/zinc/85/93/14/573859314.db2.gz FATNGHLJONJGAT-JTQLQIEISA-N 0 0 194.274 2.028 10 0 AEAERN CCN1CCNc2c(F)cccc21 87261753 573859341 /nfs/dbraw/zinc/85/93/41/573859341.db2.gz NEWZJZMCOMJNLX-UHFFFAOYSA-N 0 0 180.226 2.078 10 0 AEAERN CCC[C@H]1CNc2cc(C)cnc2N1 87261460 573859347 /nfs/dbraw/zinc/85/93/47/573859347.db2.gz QHVIVVYCMDPCTG-VIFPVBQESA-N 0 0 191.278 2.396 10 0 AEAERN Nc1cc(-c2ccc3cc[nH]c3c2)on1 258157177 573858571 /nfs/dbraw/zinc/85/85/71/573858571.db2.gz PDJXYXJBJUOBFT-UHFFFAOYSA-N 0 0 199.213 2.405 10 0 AEAERN C[C@@H]1CCNc2ccc(F)cc2N1 87261233 573858599 /nfs/dbraw/zinc/85/85/99/573858599.db2.gz UNPTYCJTYDQINL-SSDOTTSWSA-N 0 0 180.226 2.442 10 0 AEAERN CC(C)OCC[C@@H]1CCCC[C@@H]1O 43658452 573858607 /nfs/dbraw/zinc/85/86/07/573858607.db2.gz IINDGHPHAATLRC-QWRGUYRKSA-N 0 0 186.295 2.353 10 0 AEAERN CC(C)[C@@H]1CNc2cccnc2NC1 87262542 573858689 /nfs/dbraw/zinc/85/86/89/573858689.db2.gz CGFWXWSCBOXLHI-SECBINFHSA-N 0 0 191.278 2.191 10 0 AEAERN CO[C@@H]1CCNc2cc(F)ccc21 257890280 573858693 /nfs/dbraw/zinc/85/86/93/573858693.db2.gz NGFWSDWFPFLWKE-SNVBAGLBSA-N 0 0 181.210 2.329 10 0 AEAERN COC[C@]1(C)Cc2ccc(F)cc2N1 258163705 573858706 /nfs/dbraw/zinc/85/87/06/573858706.db2.gz LWQJIQZVIRGMIP-NSHDSACASA-N 0 0 195.237 2.199 10 0 AEAERN CCCC[C@H]1CNc2cccnc2N1 87260970 573858732 /nfs/dbraw/zinc/85/87/32/573858732.db2.gz SDAKEVIOZYIVHC-VIFPVBQESA-N 0 0 191.278 2.478 10 0 AEAERN Cc1ccc2c(c1)NC[C@@H](C)CN2 87261488 573858745 /nfs/dbraw/zinc/85/87/45/573858745.db2.gz YZPIEKAVPGMXCT-VIFPVBQESA-N 0 0 176.263 2.469 10 0 AEAERN CC[C@H]1CNc2cc(F)ccc2N1 87261168 573858790 /nfs/dbraw/zinc/85/87/90/573858790.db2.gz UBUXWQJADMMAFW-QMMMGPOBSA-N 0 0 180.226 2.442 10 0 AEAERN Cc1ccc2c(c1)NC1(CC1)CN2 87261346 573858829 /nfs/dbraw/zinc/85/88/29/573858829.db2.gz XVJLOWJAXHTNLU-UHFFFAOYSA-N 0 0 174.247 2.365 10 0 AEAERN CC(C)=C[C@@]1(C)[C@H](NC(N)=O)C1(C)C 238167757 573858847 /nfs/dbraw/zinc/85/88/47/573858847.db2.gz NZHSTCWSFWUHDW-KCJUWKMLSA-N 0 0 196.294 2.036 10 0 AEAERN O=C1C[C@H]2CCC[C@]12c1ccco1 197061720 573858860 /nfs/dbraw/zinc/85/88/60/573858860.db2.gz DRNMVLBNTJIYMF-LDYMZIIASA-N 0 0 176.215 2.290 10 0 AEAERN CCOCC[C@@H]1C[C@@H](C)CCC1=O 43652184 573858866 /nfs/dbraw/zinc/85/88/66/573858866.db2.gz USIHBOBDOVNLEU-VHSXEESVSA-N 0 0 184.279 2.418 10 0 AEAERN CC(C)CCOCC[C@H](C)[C@H](C)O 43658732 573858873 /nfs/dbraw/zinc/85/88/73/573858873.db2.gz YICZUMPKLCBZGV-QWRGUYRKSA-N 0 0 188.311 2.456 10 0 AEAERN Fc1cccc2c1NC[C@@H](C1CC1)N2 87262417 573858874 /nfs/dbraw/zinc/85/88/74/573858874.db2.gz ZAEPKQOIRRTMGB-JTQLQIEISA-N 0 0 192.237 2.442 10 0 AEAERN CCOCC[C@H]1C[C@@H](C)CCC1=O 43652185 573858899 /nfs/dbraw/zinc/85/88/99/573858899.db2.gz USIHBOBDOVNLEU-UWVGGRQHSA-N 0 0 184.279 2.418 10 0 AEAERN CC(=O)NCc1cc(C)c(F)c(C)c1 87263265 573858919 /nfs/dbraw/zinc/85/89/19/573858919.db2.gz ZSBHTZOLXMBYFN-UHFFFAOYSA-N 0 0 195.237 2.079 10 0 AEAERN CCC[C@@]1(O)CCCSC1 84329698 573858930 /nfs/dbraw/zinc/85/89/30/573858930.db2.gz FPUREDAHCLXOTD-MRVPVSSYSA-N 0 0 160.282 2.045 10 0 AEAERN O=C1C[C@H]2CCC[C@@]12c1ccco1 197061705 573858975 /nfs/dbraw/zinc/85/89/75/573858975.db2.gz DRNMVLBNTJIYMF-KCJUWKMLSA-N 0 0 176.215 2.290 10 0 AEAERN CC(C)N1CCNc2ccc(F)cc21 87261264 573858986 /nfs/dbraw/zinc/85/89/86/573858986.db2.gz HHOLJZWAVCCUBE-UHFFFAOYSA-N 0 0 194.253 2.466 10 0 AEAERN Cc1cnc2c(c1)NCC(C)(C)N2C 87261529 573858992 /nfs/dbraw/zinc/85/89/92/573858992.db2.gz GITQLBMORLUBQW-UHFFFAOYSA-N 0 0 191.278 2.030 10 0 AEAERN Cc1cc(C)c(Cl)c(CON)c1 258155561 573859013 /nfs/dbraw/zinc/85/90/13/573859013.db2.gz UQMKXPLPMRLMBL-UHFFFAOYSA-N 0 0 185.654 2.347 10 0 AEAERN Cc1ccc2c(c1)NC[C@H](C)CN2 87261487 573859026 /nfs/dbraw/zinc/85/90/26/573859026.db2.gz YZPIEKAVPGMXCT-SECBINFHSA-N 0 0 176.263 2.469 10 0 AEAERN CC(C)CCOCC[C@@H](C)[C@@H](C)O 43658729 573859029 /nfs/dbraw/zinc/85/90/29/573859029.db2.gz YICZUMPKLCBZGV-GHMZBOCLSA-N 0 0 188.311 2.456 10 0 AEAERN CCN1CCCNc2cc(C)cnc21 87262045 573859033 /nfs/dbraw/zinc/85/90/33/573859033.db2.gz PPKCVHKLTUYRLZ-UHFFFAOYSA-N 0 0 191.278 2.032 10 0 AEAERN Cc1ccc2ccc(CC(N)=O)cc2c1 238527687 573859054 /nfs/dbraw/zinc/85/90/54/573859054.db2.gz PZGUMCPDGYPFIA-UHFFFAOYSA-N 0 0 199.253 2.176 10 0 AEAERN CCc1csc([C@H](CO)C(C)C)n1 259211359 573859056 /nfs/dbraw/zinc/85/90/56/573859056.db2.gz LMIPIJIKAPOQIY-SECBINFHSA-N 0 0 199.319 2.437 10 0 AEAERN CCCCOCC[C@@H]1CCC[C@H]1O 43656366 573859066 /nfs/dbraw/zinc/85/90/66/573859066.db2.gz FWJLORBNNIWBNJ-WDEREUQCSA-N 0 0 186.295 2.354 10 0 AEAERN CCOCC[C@H]1C[C@H](C)CC[C@@H]1O 43660340 573859075 /nfs/dbraw/zinc/85/90/75/573859075.db2.gz WPCRUTQQFGCOLU-VWYCJHECSA-N 0 0 186.295 2.210 10 0 AEAERN CCc1csc([C@@H](CO)C(C)C)n1 259211362 573859093 /nfs/dbraw/zinc/85/90/93/573859093.db2.gz LMIPIJIKAPOQIY-VIFPVBQESA-N 0 0 199.319 2.437 10 0 AEAERN CCN1CCCNc2cc(F)ccc21 87262030 573859095 /nfs/dbraw/zinc/85/90/95/573859095.db2.gz RHZLKCBJWOJLTD-UHFFFAOYSA-N 0 0 194.253 2.468 10 0 AEAERN CC(C)C[S@@](=O)c1ccc(O)cc1 238167536 573859115 /nfs/dbraw/zinc/85/91/15/573859115.db2.gz KDEFLVAPVXFVNL-CYBMUJFWSA-N 0 0 198.287 2.156 10 0 AEAERN COCCC[C@@H]1C[C@@H](C)CCC1=O 43652215 573859122 /nfs/dbraw/zinc/85/91/22/573859122.db2.gz QMODHUFRSNNRQS-VHSXEESVSA-N 0 0 184.279 2.418 10 0 AEAERN CCN1CCCNc2c(F)cccc21 87262041 573859160 /nfs/dbraw/zinc/85/91/60/573859160.db2.gz VHEOXJIQNNARNK-UHFFFAOYSA-N 0 0 194.253 2.468 10 0 AEAERN Fc1ccnc([C@@H]2CCCOC2)c1 238546993 573859173 /nfs/dbraw/zinc/85/91/73/573859173.db2.gz YJBNPUIEBMGTGW-MRVPVSSYSA-N 0 0 181.210 2.115 10 0 AEAERN Cc1cnc2c(c1)NCCN2C(C)C 87261266 573859184 /nfs/dbraw/zinc/85/91/84/573859184.db2.gz GUYUWTMNRZECGT-UHFFFAOYSA-N 0 0 191.278 2.030 10 0 AEAERN Fc1cnc(C2CC2)nc1Cl 238547849 573859197 /nfs/dbraw/zinc/85/91/97/573859197.db2.gz MNWWETMREUGHCH-UHFFFAOYSA-N 0 0 172.590 2.147 10 0 AEAERN CCC[C@H](C)N(C(=O)OC)C1CC1 308456861 573859201 /nfs/dbraw/zinc/85/92/01/573859201.db2.gz GEHROOCXGZQALO-QMMMGPOBSA-N 0 0 185.267 2.406 10 0 AEAERN CC[C@@H]1CNc2cc(F)ccc2N1C 87262263 573859205 /nfs/dbraw/zinc/85/92/05/573859205.db2.gz IZEKCLAKTUSOMY-SECBINFHSA-N 0 0 194.253 2.466 10 0 AEAERN CC(=O)[C@@H]1C[C@]12CC=CCC2 238169563 573859225 /nfs/dbraw/zinc/85/92/25/573859225.db2.gz DSMGOUOJBUNGFK-VHSXEESVSA-N 0 0 150.221 2.322 10 0 AEAERN c1cnc2c(c1)NC[C@H]1CCC[C@@H]1N2 87261589 573859232 /nfs/dbraw/zinc/85/92/32/573859232.db2.gz OMCNKDWJONQIEC-BDAKNGLRSA-N 0 0 189.262 2.088 10 0 AEAERN CC(C)Oc1ccc2c(c1)COC2=O 238172823 573859245 /nfs/dbraw/zinc/85/92/45/573859245.db2.gz SCLQYSOLPSJJJD-UHFFFAOYSA-N 0 0 192.214 2.144 10 0 AEAERN CC(C)=C[C@H](O)[C@H](O)c1ccccc1 238169575 573861621 /nfs/dbraw/zinc/86/16/21/573861621.db2.gz WBOUTNSONWEYKW-NWDGAFQWSA-N 0 0 192.258 2.047 10 0 AEAERN C[C@@H]1CCNc2cc(F)ccc2N1 87261209 573861632 /nfs/dbraw/zinc/86/16/32/573861632.db2.gz HEQCMOKWQCBLKX-SSDOTTSWSA-N 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238548907 573866766 /nfs/dbraw/zinc/86/67/66/573866766.db2.gz SDCLCZWWFZVPRZ-GXSJLCMTSA-N 0 0 181.279 2.222 10 0 AEAERN CC(C)c1ccc2[nH]c(C=O)cc2n1 257891588 573866767 /nfs/dbraw/zinc/86/67/67/573866767.db2.gz XCYILPAEXYHIJS-UHFFFAOYSA-N 0 0 188.230 2.499 10 0 AEAERN CC[C@H](O)c1cscc1C 87288053 573866784 /nfs/dbraw/zinc/86/67/84/573866784.db2.gz PKUAFFCKYRCVLH-QMMMGPOBSA-N 0 0 156.250 2.500 10 0 AEAERN CCOc1ccc(C)cc1C1(O)CC1 258165657 573866815 /nfs/dbraw/zinc/86/68/15/573866815.db2.gz VJHHUHTUYMJWIJ-UHFFFAOYSA-N 0 0 192.258 2.375 10 0 AEAERN CC1=C(C)[C@H](C(C)C)C[C@@H]1NC(N)=O 238162459 573866818 /nfs/dbraw/zinc/86/68/18/573866818.db2.gz MRHIWRMXTZRINC-UWVGGRQHSA-N 0 0 196.294 2.036 10 0 AEAERN CC(C)Cc1nnc2n1CCC[C@H]2C 258165734 573866917 /nfs/dbraw/zinc/86/69/17/573866917.db2.gz DTPAWHPREPQWOR-SECBINFHSA-N 0 0 193.294 2.374 10 0 AEAERN Cc1cc2c(c(O)c1C)CCC2=O 238540393 573866919 /nfs/dbraw/zinc/86/69/19/573866919.db2.gz NUTOBXWFMWMFCB-UHFFFAOYSA-N 0 0 176.215 2.138 10 0 AEAERN C=C=C(C)[C@@H](O)/C=C/c1ccco1 238163107 573866921 /nfs/dbraw/zinc/86/69/21/573866921.db2.gz ISZROANLOFSZKC-MLRMMBSGSA-N 0 0 176.215 2.385 10 0 AEAERN CC(C)CSC(=O)NC(C)C 238162040 573866986 /nfs/dbraw/zinc/86/69/86/573866986.db2.gz YHRNPEVFAPMKNP-UHFFFAOYSA-N 0 0 175.297 2.494 10 0 AEAERN Cc1ccc([C@H]2CCNC(=O)O2)cc1 238540343 573867000 /nfs/dbraw/zinc/86/70/00/573867000.db2.gz KBPRTMDUVNCMMD-SNVBAGLBSA-N 0 0 191.230 2.166 10 0 AEAERN CCCCOC(=O)C=C(C)NCCC 215114890 573867019 /nfs/dbraw/zinc/86/70/19/573867019.db2.gz HSVZWVQHKHYVAP-MDZDMXLPSA-N 0 0 199.294 2.233 10 0 AEAERN COC[C@@H]1CCc2cc(N)ccc2C1 257889583 573867024 /nfs/dbraw/zinc/86/70/24/573867024.db2.gz WUNMPXZEYSXEIB-SECBINFHSA-N 0 0 191.274 2.020 10 0 AEAERN C[C@H](O)[C@H]1CSc2cccc(F)c21 258164520 573867046 /nfs/dbraw/zinc/86/70/46/573867046.db2.gz RTWRYFUKGVMHRO-NKWVEPMBSA-N 0 0 198.262 2.396 10 0 AEAERN CC(=O)[C@@H]1CC=C(C)C[C@H]1C(C)=O 238161502 573867059 /nfs/dbraw/zinc/86/70/59/573867059.db2.gz GXFFDRSCESRQGN-QWRGUYRKSA-N 0 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/nfs/dbraw/zinc/86/72/65/573867265.db2.gz SCGGGFWOUJKVMO-WCBMZHEXSA-N 0 0 198.287 2.126 10 0 AEAERN CC(=O)[C@@H]1CCC1=C(C)C 238162293 573867267 /nfs/dbraw/zinc/86/72/67/573867267.db2.gz DYRVGIBRSUHHQO-VIFPVBQESA-N 0 0 138.210 2.322 10 0 AEAERN CCCC[C@@H](C)[C@H](NN)c1ccc[nH]1 308459121 573867276 /nfs/dbraw/zinc/86/72/76/573867276.db2.gz FSXJAMVCKSDIDT-KOLCDFICSA-N 0 0 195.310 2.345 10 0 AEAERN Cc1cnc(Oc2cccnc2)o1 257891416 573867291 /nfs/dbraw/zinc/86/72/91/573867291.db2.gz MKEHNASYEHNUDM-UHFFFAOYSA-N 0 0 176.175 2.170 10 0 AEAERN OCCCCC[C@@H](O)C1CCCC1 127378742 573867316 /nfs/dbraw/zinc/86/73/16/573867316.db2.gz VKXMDGBPFMCRRM-LLVKDONJSA-N 0 0 186.295 2.090 10 0 AEAERN CC(C)(C)[C@@H]1COC(c2ccc[nH]2)=N1 238161876 573867336 /nfs/dbraw/zinc/86/73/36/573867336.db2.gz YIQOWABGPBDIPR-VIFPVBQESA-N 0 0 192.262 2.206 10 0 AEAERN CC(C)N=C1COc2ccccc2N1 238162433 573867350 /nfs/dbraw/zinc/86/73/50/573867350.db2.gz LOVLNVQTQPMNLU-UHFFFAOYSA-N 0 0 190.246 2.107 10 0 AEAERN CC(C)(O)CC[C@H](O)C1CCCC1 127379216 573867353 /nfs/dbraw/zinc/86/73/53/573867353.db2.gz ZWTOAVDXESVGAC-JTQLQIEISA-N 0 0 186.295 2.089 10 0 AEAERN Cc1cc(F)c2cc(C)[nH]c(=O)c2c1 125311104 573867359 /nfs/dbraw/zinc/86/73/59/573867359.db2.gz NUOPVEZCZCBMCK-UHFFFAOYSA-N 0 0 191.205 2.284 10 0 AEAERN Cc1cc(F)ncc1[C@H]1CCCC1=O 238540621 573867387 /nfs/dbraw/zinc/86/73/87/573867387.db2.gz NTMIFUZINGIFHY-MRVPVSSYSA-N 0 0 193.221 2.366 10 0 AEAERN Cc1cc(C2CCCC2)n(C)n1 258976978 573867389 /nfs/dbraw/zinc/86/73/89/573867389.db2.gz DQHTXWKZWYAPQS-UHFFFAOYSA-N 0 0 164.252 2.386 10 0 AEAERN Cc1cc(C)c(Cl)c(OC(N)=O)c1 238540610 573867395 /nfs/dbraw/zinc/86/73/95/573867395.db2.gz NGMJXQXSNDHOAE-UHFFFAOYSA-N 0 0 199.637 2.414 10 0 AEAERN C[C@]1(Cl)C(=O)[C@@H]2CCC=C[C@@H]21 101449356 573867398 /nfs/dbraw/zinc/86/73/98/573867398.db2.gz VLZGLBMWFFQNQR-BKPPORCPSA-N 0 0 170.639 2.149 10 0 AEAERN OCC[C@@H]1Cc2c(Cl)cccc2O1 258169600 573876373 /nfs/dbraw/zinc/87/63/73/573876373.db2.gz MFQYOAHTKSJTCP-SSDOTTSWSA-N 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YRTQTHHMPXUARV-UHFFFAOYSA-N 0 0 182.585 2.422 10 0 AEAERN CC(C)=C[C@@H](O)[C@H]1CCCCC1=O 238163197 573875952 /nfs/dbraw/zinc/87/59/52/573875952.db2.gz VBRPRRLHELMEHB-GXSJLCMTSA-N 0 0 182.263 2.073 10 0 AEAERN Cc1cc(C2CC2)co1 76571004 573875964 /nfs/dbraw/zinc/87/59/64/573875964.db2.gz AJQVDJMOBUHWRE-UHFFFAOYSA-N 0 0 122.167 2.465 10 0 AEAERN Oc1ccc(C[C@@H]2CCCO2)cc1 79967830 573875969 /nfs/dbraw/zinc/87/59/69/573875969.db2.gz PEJIZIIPFKEOTF-NSHDSACASA-N 0 0 178.231 2.114 10 0 AEAERN CCOCc1cc2cc(N)ccc2[nH]1 257895437 573876058 /nfs/dbraw/zinc/87/60/58/573876058.db2.gz AMAGUZJLQPQTDT-UHFFFAOYSA-N 0 0 190.246 2.287 10 0 AEAERN CN1c2cccc(F)c2NCC12CC2 258441487 573876069 /nfs/dbraw/zinc/87/60/69/573876069.db2.gz GMVXGPCCULAFCT-UHFFFAOYSA-N 0 0 192.237 2.220 10 0 AEAERN Fc1cnc2nc(Cl)oc2c1 238551172 573876099 /nfs/dbraw/zinc/87/60/99/573876099.db2.gz ZOEAYIDCTPHTFO-UHFFFAOYSA-N 0 0 172.546 2.015 10 0 AEAERN C[C@@H]1CC[C@H](C(=O)[C@@H]2CCCOC2)C1 225022697 573876117 /nfs/dbraw/zinc/87/61/17/573876117.db2.gz PPPQMWLHQAQTGS-OUAUKWLOSA-N 0 0 196.290 2.418 10 0 AEAERN C[C@@H]1SCc2c(F)cccc2[C@H]1O 125348625 573876143 /nfs/dbraw/zinc/87/61/43/573876143.db2.gz QDVURXJUFRZYSE-WKEGUHRASA-N 0 0 198.262 2.494 10 0 AEAERN Clc1cc(-c2nccs2)ncn1 238552426 573876154 /nfs/dbraw/zinc/87/61/54/573876154.db2.gz DHHGRSNBHBVWHW-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN CC1(C(=O)Cc2ncc[nH]2)CCCC1 87315789 573876186 /nfs/dbraw/zinc/87/61/86/573876186.db2.gz KTQCUEZJBCIEJW-UHFFFAOYSA-N 0 0 192.262 2.102 10 0 AEAERN C[C@H]1SCc2ccc(F)cc2[C@H]1O 125350255 573876202 /nfs/dbraw/zinc/87/62/02/573876202.db2.gz YBUPZONVODOQDH-LDWIPMOCSA-N 0 0 198.262 2.494 10 0 AEAERN C[C@@H]1CC[C@@H](C(=O)[C@@H]2CCCOC2)C1 225022619 573876293 /nfs/dbraw/zinc/87/62/93/573876293.db2.gz PPPQMWLHQAQTGS-GMTAPVOTSA-N 0 0 196.290 2.418 10 0 AEAERN Clc1cc(-c2ccncc2)[nH]n1 238551991 573876327 /nfs/dbraw/zinc/87/63/27/573876327.db2.gz CVJABAUNRARETN-UHFFFAOYSA-N 0 0 179.610 2.125 10 0 AEAERN C[C@@H]1SCc2ccccc2[C@@H]1O 125348169 573876359 /nfs/dbraw/zinc/87/63/59/573876359.db2.gz LILFFXTVHVTFMK-OIBJUYFYSA-N 0 0 180.272 2.355 10 0 AEAERN CCC(C)(C)C[C@H](C)O 84417921 573878749 /nfs/dbraw/zinc/87/87/49/573878749.db2.gz CJGWLHDFPXIKQX-ZETCQYMHSA-N 0 0 130.231 2.194 10 0 AEAERN CC(=O)[C@@H]1C[C@H]2CC=CC[C@@H]21 238176519 573878029 /nfs/dbraw/zinc/87/80/29/573878029.db2.gz UVDSKQNSCYJWFC-UTLUCORTSA-N 0 0 150.221 2.178 10 0 AEAERN Fc1cnc2oc(Cl)nc2c1 238551242 573878039 /nfs/dbraw/zinc/87/80/39/573878039.db2.gz YDPHOXTYYISMIZ-UHFFFAOYSA-N 0 0 172.546 2.015 10 0 AEAERN C[C@H]1SCc2c(F)cccc2[C@H]1O 125348467 573878085 /nfs/dbraw/zinc/87/80/85/573878085.db2.gz QDVURXJUFRZYSE-LDWIPMOCSA-N 0 0 198.262 2.494 10 0 AEAERN CC[C@@H]1CC(=O)C[C@@H]1C 76571425 573878089 /nfs/dbraw/zinc/87/80/89/573878089.db2.gz NRPKBHXHDVUDQQ-NKWVEPMBSA-N 0 0 126.199 2.012 10 0 AEAERN O=C1CCCN(C[C@H]2CC=CCC2)C1 402119133 573878114 /nfs/dbraw/zinc/87/81/14/573878114.db2.gz DDWWWVWKNXMEPT-NSHDSACASA-N 0 0 193.290 2.008 10 0 AEAERN CC(=O)[C@@H]1C[C@H]2CCCC[C@@H]21 238176616 573878147 /nfs/dbraw/zinc/87/81/47/573878147.db2.gz KTCDHTXDKLXNAE-UTLUCORTSA-N 0 0 152.237 2.402 10 0 AEAERN C[C@@H]1SCc2ccc(F)cc2[C@H]1O 125350521 573878179 /nfs/dbraw/zinc/87/81/79/573878179.db2.gz YBUPZONVODOQDH-WKEGUHRASA-N 0 0 198.262 2.494 10 0 AEAERN CC(C)[C@@H]1[C@H](C)C(C)(C)[C@@H]1O 238176612 573878191 /nfs/dbraw/zinc/87/81/91/573878191.db2.gz MCGGOVAELAIQIL-DJLDLDEBSA-N 0 0 156.269 2.295 10 0 AEAERN Cc1cc(CNC#N)cc(C)c1F 87315041 573878220 /nfs/dbraw/zinc/87/82/20/573878220.db2.gz UPTDRQVBYBANDY-UHFFFAOYSA-N 0 0 178.210 2.013 10 0 AEAERN F[C@]12CCO[C@H]1Nc1ccccc12 238551685 573878255 /nfs/dbraw/zinc/87/82/55/573878255.db2.gz AQMDTIHCCFGRID-ZJUUUORDSA-N 0 0 179.194 2.023 10 0 AEAERN O=C1Cc2cccc(Cl)c2C12CC2 238551602 573878269 /nfs/dbraw/zinc/87/82/69/573878269.db2.gz HROBMGADMUSGGC-UHFFFAOYSA-N 0 0 192.645 2.497 10 0 AEAERN C[C@H]1c2ccc(F)cc2CC[C@@H]1O 259218030 573878274 /nfs/dbraw/zinc/87/82/74/573878274.db2.gz JSOKZCFHMPEQCX-CPCISQLKSA-N 0 0 180.222 2.236 10 0 AEAERN Clc1cc(-c2ccncc2)cnn1 238551977 573878276 /nfs/dbraw/zinc/87/82/76/573878276.db2.gz LAZPQCAUIVPAHQ-UHFFFAOYSA-N 0 0 191.621 2.192 10 0 AEAERN C[C@@](N)(c1ccoc1)C(F)(F)F 87307639 573878307 /nfs/dbraw/zinc/87/83/07/573878307.db2.gz BYUMIXWEIIIYLJ-ZCFIWIBFSA-N 0 0 179.141 2.016 10 0 AEAERN Cc1c(Cl)cc(F)cc1CCO 258171052 573878341 /nfs/dbraw/zinc/87/83/41/573878341.db2.gz VUPINRKCAFNHEE-UHFFFAOYSA-N 0 0 188.629 2.322 10 0 AEAERN CC(C)(O)CC1=CCCCC[C@H]1O 238176078 573878354 /nfs/dbraw/zinc/87/83/54/573878354.db2.gz DICKBLZXHZDDKE-SNVBAGLBSA-N 0 0 184.279 2.009 10 0 AEAERN CCC(C)(C)C[C@@H](C)O 84417918 573878356 /nfs/dbraw/zinc/87/83/56/573878356.db2.gz CJGWLHDFPXIKQX-SSDOTTSWSA-N 0 0 130.231 2.194 10 0 AEAERN CSc1cccc(O)c1[C@H](C)O 258171201 573878377 /nfs/dbraw/zinc/87/83/77/573878377.db2.gz VXLVKYLPFRRFQE-LURJTMIESA-N 0 0 184.260 2.167 10 0 AEAERN Cc1cc(N)nc2oc(C(C)C)nc12 238165746 573878462 /nfs/dbraw/zinc/87/84/62/573878462.db2.gz WEBUAEPCZHODNN-UHFFFAOYSA-N 0 0 191.234 2.237 10 0 AEAERN CC(C)(O)CCC1=C[C@@H](O)CCC1 238176487 573878510 /nfs/dbraw/zinc/87/85/10/573878510.db2.gz RTXOMIYVAXBQSF-JTQLQIEISA-N 0 0 184.279 2.009 10 0 AEAERN C[C@]1(F)CCN(c2cccc(O)c2)C1 258170108 573878514 /nfs/dbraw/zinc/87/85/14/573878514.db2.gz UIKZOFMNDJTDRB-NSHDSACASA-N 0 0 195.237 2.331 10 0 AEAERN CC(=C/CO)/C=C/c1cccnc1 238165477 573878526 /nfs/dbraw/zinc/87/85/26/573878526.db2.gz NEUSVSOIBHYNFO-IGTFLHFFSA-N 0 0 175.231 2.033 10 0 AEAERN Fc1ccccc1NCc1cnco1 84413320 573878539 /nfs/dbraw/zinc/87/85/39/573878539.db2.gz MVLGWACGYDWFNT-UHFFFAOYSA-N 0 0 192.193 2.426 10 0 AEAERN CC(C)(O)CCCC1=C[C@@H](O)CC1 238176634 573878540 /nfs/dbraw/zinc/87/85/40/573878540.db2.gz ZPSPKAYPSATWLB-JTQLQIEISA-N 0 0 184.279 2.009 10 0 AEAERN C[C@H]1Cc2cc(C=O)ccc2O[C@H]1C 80164050 573878566 /nfs/dbraw/zinc/87/85/66/573878566.db2.gz CFSWCQBVZHELRF-IUCAKERBSA-N 0 0 190.242 2.459 10 0 AEAERN Cc1ccc(N(C)C#N)cc1C 259218275 573878568 /nfs/dbraw/zinc/87/85/68/573878568.db2.gz KFVBVRMUDGNAHU-UHFFFAOYSA-N 0 0 160.220 2.221 10 0 AEAERN CCOC(=O)[C@@H]1CC=CC[C@@H]1C 80085659 573878586 /nfs/dbraw/zinc/87/85/86/573878586.db2.gz GPOJYLCRZFTKQW-DTWKUNHWSA-N 0 0 168.236 2.152 10 0 AEAERN CC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21 238176147 573878609 /nfs/dbraw/zinc/87/86/09/573878609.db2.gz KTCDHTXDKLXNAE-GUBZILKMSA-N 0 0 152.237 2.402 10 0 AEAERN CC(C)(C)[C@H]([NH3+])c1cccnc1F 238176061 573878630 /nfs/dbraw/zinc/87/86/30/573878630.db2.gz PZTTWDVQOLLJJL-MRVPVSSYSA-N 0 0 182.242 2.267 10 0 AEAERN C[C@H](CCO)c1cc(C(C)(C)C)on1 716315648 573878668 /nfs/dbraw/zinc/87/86/68/573878668.db2.gz JUBHTOUHWPCXTL-MRVPVSSYSA-N 0 0 197.278 2.458 10 0 AEAERN NOCc1c(F)cc(Cl)cc1F 258171139 573878708 /nfs/dbraw/zinc/87/87/08/573878708.db2.gz VVWYLJKEXPBJRR-UHFFFAOYSA-N 0 0 193.580 2.009 10 0 AEAERN CC1(O)CCCCC(O)CCCC1 238176455 573878710 /nfs/dbraw/zinc/87/87/10/573878710.db2.gz QVPSRCHTBKUPJN-UHFFFAOYSA-N 0 0 186.295 2.233 10 0 AEAERN CC(=O)[C@@H]1C[C@H]2C=CCC[C@@H]21 238176457 573878714 /nfs/dbraw/zinc/87/87/14/573878714.db2.gz JIAREJRXEYOFEX-UTLUCORTSA-N 0 0 150.221 2.178 10 0 AEAERN CC(=O)c1cc(C)c(C2CC2)cn1 238165586 573878740 /nfs/dbraw/zinc/87/87/40/573878740.db2.gz PZDSSBPAIQOZKG-UHFFFAOYSA-N 0 0 175.231 2.470 10 0 AEAERN Cc1nc(-c2ccccc2C=O)co1 257893538 573884658 /nfs/dbraw/zinc/88/46/58/573884658.db2.gz NTJOUEAGNPRSFJ-UHFFFAOYSA-N 0 0 187.198 2.463 10 0 AEAERN C[C@@H]1C[C@]1(O)C1(C)CCCC1 87319107 573884677 /nfs/dbraw/zinc/88/46/77/573884677.db2.gz ARYZZYJOHAKSOR-PSASIEDQSA-N 0 0 154.253 2.338 10 0 AEAERN COc1cc(COC(C)C)ccc1N 258173469 573884697 /nfs/dbraw/zinc/88/46/97/573884697.db2.gz RTMYJZOLGGJFRP-UHFFFAOYSA-N 0 0 195.262 2.202 10 0 AEAERN CCOc1cccc(C[C@@H](C)CO)c1 87334944 573884020 /nfs/dbraw/zinc/88/40/20/573884020.db2.gz NCWHWWXJYVQJNY-SNVBAGLBSA-N 0 0 194.274 2.256 10 0 AEAERN OC1(CC[C@H]2CCOC2)CCCC1 257893168 573884083 /nfs/dbraw/zinc/88/40/83/573884083.db2.gz CRZPYDAGBOKIPK-JTQLQIEISA-N 0 0 184.279 2.108 10 0 AEAERN CC(C)C[C@H]1COC[C@]1(O)CC1CC1 716330065 573884097 /nfs/dbraw/zinc/88/40/97/573884097.db2.gz QJVFDSLYOYKQNE-NWDGAFQWSA-N 0 0 198.306 2.210 10 0 AEAERN Cc1ccccc1Oc1nnns1 258985820 573884115 /nfs/dbraw/zinc/88/41/15/573884115.db2.gz FKUJDWSLYJJMNT-UHFFFAOYSA-N 0 0 193.231 2.034 10 0 AEAERN CC[C@@H](CO)c1ccc(OC)cc1 41201242 573884130 /nfs/dbraw/zinc/88/41/30/573884130.db2.gz IIUBKYYKWPIUGF-VIFPVBQESA-N 0 0 180.247 2.181 10 0 AEAERN C/C=C/C(=O)N(C)c1cccc(F)c1 87333732 573884175 /nfs/dbraw/zinc/88/41/75/573884175.db2.gz WNRHTICTWDECLK-HWKANZROSA-N 0 0 193.221 2.365 10 0 AEAERN C/C=C\C(=O)NCCCCC1CC1 716331501 573884177 /nfs/dbraw/zinc/88/41/77/573884177.db2.gz PNIISJZFTMTXJE-DJWKRKHSSA-N 0 0 181.279 2.259 10 0 AEAERN Fc1ccncc1C(F)F 238560660 573884229 /nfs/dbraw/zinc/88/42/29/573884229.db2.gz PSAVQVWEXHJYNL-UHFFFAOYSA-N 0 0 147.099 2.158 10 0 AEAERN O[C@@H]1CSCc2c(F)cccc21 125376983 573884299 /nfs/dbraw/zinc/88/42/99/573884299.db2.gz UIYQOZPNFFAKRL-SECBINFHSA-N 0 0 184.235 2.106 10 0 AEAERN FC(F)(F)[C@H]1NCc2ccccc21 238560617 573884315 /nfs/dbraw/zinc/88/43/15/573884315.db2.gz MGLWFEGKCVYCKR-QMMMGPOBSA-N 0 0 187.164 2.393 10 0 AEAERN C[NH2+]Cc1ncoc1C1(C)CCCC1 87330880 573884332 /nfs/dbraw/zinc/88/43/32/573884332.db2.gz MFQDBPJJZYNESF-UHFFFAOYSA-N 0 0 194.278 2.226 10 0 AEAERN CNOC/C=C/c1ccc(C)cc1C 258518883 573884372 /nfs/dbraw/zinc/88/43/72/573884372.db2.gz FZSPITBHMZXEQG-SNAWJCMRSA-N 0 0 191.274 2.468 10 0 AEAERN COc1nccc(-c2ccc(C)o2)n1 259219723 573884380 /nfs/dbraw/zinc/88/43/80/573884380.db2.gz XZXCBPYILXEBMQ-UHFFFAOYSA-N 0 0 190.202 2.054 10 0 AEAERN CCC1(c2ocnc2C[NH3+])CCCC1 87330878 573884426 /nfs/dbraw/zinc/88/44/26/573884426.db2.gz ZKLLDBDROJJDEU-UHFFFAOYSA-N 0 0 194.278 2.355 10 0 AEAERN Cc1cccc(OC[C@H](C)CO)c1 41201332 573884431 /nfs/dbraw/zinc/88/44/31/573884431.db2.gz JKDKXOREUUHSHM-SNVBAGLBSA-N 0 0 180.247 2.002 10 0 AEAERN Cc1ccc(-c2c(C)c2=O)cc1 238554397 573884453 /nfs/dbraw/zinc/88/44/53/573884453.db2.gz TUJYJZKTRQHSCW-UHFFFAOYSA-N 0 0 158.200 2.206 10 0 AEAERN COC(C)(C)c1ccccc1C=O 222462492 573884542 /nfs/dbraw/zinc/88/45/42/573884542.db2.gz YQHITGWWERLOPX-UHFFFAOYSA-N 0 0 178.231 2.381 10 0 AEAERN Cc1cccc(C2(CO)CC(F)C2)c1 257892760 573884727 /nfs/dbraw/zinc/88/47/27/573884727.db2.gz XITHEQNUERTFNN-UHFFFAOYSA-N 0 0 194.249 2.357 10 0 AEAERN Cc1c(N)n[nH]c1C1(C)CCCC1 87316873 573884631 /nfs/dbraw/zinc/88/46/31/573884631.db2.gz CELXUUNEJZXPHZ-UHFFFAOYSA-N 0 0 179.267 2.132 10 0 AEAERN CC1=C[C@H]2C(=O)C[C@H]2C1(C)C 238179631 573885963 /nfs/dbraw/zinc/88/59/63/573885963.db2.gz TYZDLWNTPQIVIZ-HTQZYQBOSA-N 0 0 150.221 2.178 10 0 AEAERN CC(=O)Cc1ccc2c(c1)C[C@@H](C)N2 258172996 573885985 /nfs/dbraw/zinc/88/59/85/573885985.db2.gz SFIXTVYCRPNSOR-MRVPVSSYSA-N 0 0 189.258 2.175 10 0 AEAERN Fc1cccc2c1NCC2(F)F 238554180 573886021 /nfs/dbraw/zinc/88/60/21/573886021.db2.gz YYNVCFFCDXZRFZ-UHFFFAOYSA-N 0 0 173.137 2.343 10 0 AEAERN Oc1ccc(-c2c[nH]c(Cl)n2)cc1 257893946 573886028 /nfs/dbraw/zinc/88/60/28/573886028.db2.gz XSMGCSOJPILTLC-UHFFFAOYSA-N 0 0 194.621 2.436 10 0 AEAERN CCCc1nc(-c2cccnc2)c[nH]1 80268033 573886049 /nfs/dbraw/zinc/88/60/49/573886049.db2.gz GMILMIZNLBBTTC-UHFFFAOYSA-N 0 0 187.246 2.424 10 0 AEAERN CC(C)n1[nH]c(=O)cc1C(C)(C)C 257893542 573886061 /nfs/dbraw/zinc/88/60/61/573886061.db2.gz NTLXIARXWNECIL-UHFFFAOYSA-N 0 0 182.267 2.467 10 0 AEAERN CC(=O)Cc1nc(C2CCCC2)c[nH]1 258985562 573886101 /nfs/dbraw/zinc/88/61/01/573886101.db2.gz AGQILBBYKUIZOA-UHFFFAOYSA-N 0 0 192.262 2.199 10 0 AEAERN CCn1cnc2cc(F)ccc21 101957489 573886177 /nfs/dbraw/zinc/88/61/77/573886177.db2.gz MJKVVDGJSHIKLM-UHFFFAOYSA-N 0 0 164.183 2.195 10 0 AEAERN CC(=O)C[C@H](O)C1CCC(C)CC1 238179546 573886220 /nfs/dbraw/zinc/88/62/20/573886220.db2.gz FPJNTIGLSGDJLS-RFBVYIQQSA-N 0 0 184.279 2.153 10 0 AEAERN C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 87341672 573886227 /nfs/dbraw/zinc/88/62/27/573886227.db2.gz YYRBBMVLNMERFD-JTQLQIEISA-N 0 0 193.294 2.251 10 0 AEAERN OC[C@H](F)c1ccc(Cl)cc1 101921752 573886261 /nfs/dbraw/zinc/88/62/61/573886261.db2.gz KMABJEMWVVSDMR-QMMMGPOBSA-N 0 0 174.602 2.343 10 0 AEAERN Cc1ccccc1OCC1COC1 258985799 573886335 /nfs/dbraw/zinc/88/63/35/573886335.db2.gz FKGXUIYSXNXBLS-UHFFFAOYSA-N 0 0 178.231 2.020 10 0 AEAERN Cc1ccc(-c2c[nH]cn2)s1 238554884 573886373 /nfs/dbraw/zinc/88/63/73/573886373.db2.gz LLMCBXHEVRAFGK-UHFFFAOYSA-N 0 0 164.233 2.447 10 0 AEAERN C[C@H]1C[C@]1(CO)c1ccc(F)c(F)c1 258984593 573886375 /nfs/dbraw/zinc/88/63/75/573886375.db2.gz KDVYAUUAKXULTM-WRWORJQWSA-N 0 0 198.212 2.235 10 0 AEAERN CC1(C)CC(=O)CCCCC1=O 238179567 573886389 /nfs/dbraw/zinc/88/63/89/573886389.db2.gz SWAIPJVWQVYYDG-UHFFFAOYSA-N 0 0 168.236 2.115 10 0 AEAERN Cc1coc([C@H](N)C(F)(F)F)c1 238549523 573886393 /nfs/dbraw/zinc/88/63/93/573886393.db2.gz FLSPSWRLWMZEGT-LURJTMIESA-N 0 0 179.141 2.150 10 0 AEAERN Clc1cncc(-c2nccs2)n1 238560546 573886422 /nfs/dbraw/zinc/88/64/22/573886422.db2.gz XSLVWRVLSSGERT-UHFFFAOYSA-N 0 0 197.650 2.254 10 0 AEAERN C[C@@H]1CCC[C@H](C(=O)c2ncc[nH]2)C1 87339390 573886430 /nfs/dbraw/zinc/88/64/30/573886430.db2.gz KAVLNJVOPLPVMF-BDAKNGLRSA-N 0 0 192.262 2.419 10 0 AEAERN CC1CCC([C@@H](O)c2ncc[nH]2)CC1 87340244 573886440 /nfs/dbraw/zinc/88/64/40/573886440.db2.gz YEGMUCZPXIPDHC-UDNWOFFPSA-N 0 0 194.278 2.269 10 0 AEAERN Cc1cn([C@H]2C=CCCC2)cn1 238549402 573886445 /nfs/dbraw/zinc/88/64/45/573886445.db2.gz ZDETUIHUSIMRIQ-JTQLQIEISA-N 0 0 162.236 2.473 10 0 AEAERN O[C@H]1CSCc2c(F)cccc21 125376749 573886531 /nfs/dbraw/zinc/88/65/31/573886531.db2.gz UIYQOZPNFFAKRL-VIFPVBQESA-N 0 0 184.235 2.106 10 0 AEAERN C[C@@H](C/C=C\C(N)=O)c1ccccc1 211667010 573886534 /nfs/dbraw/zinc/88/65/34/573886534.db2.gz UJLYGBIZUZLEIW-BSKOKIOFSA-N 0 0 189.258 2.222 10 0 AEAERN [NH3+]C1(c2cc(F)c([O-])c(F)c2)CCC1 238561537 573890134 /nfs/dbraw/zinc/89/01/34/573890134.db2.gz SMJNWMSDGBKDIY-UHFFFAOYSA-N 0 0 199.200 2.008 10 0 AEAERN CC1(C)CC(=O)C[C@](C)(Cl)O1 238180696 573890163 /nfs/dbraw/zinc/89/01/63/573890163.db2.gz OOEYNZUWJWIDMK-MRVPVSSYSA-N 0 0 176.643 2.100 10 0 AEAERN C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 87341671 573890172 /nfs/dbraw/zinc/89/01/72/573890172.db2.gz YYRBBMVLNMERFD-SNVBAGLBSA-N 0 0 193.294 2.251 10 0 AEAERN CC1=C[C@@](C)(c2ccccc2)O[C@H]1O 238180478 573890188 /nfs/dbraw/zinc/89/01/88/573890188.db2.gz FOURTXQFMOGIFN-NEPJUHHUSA-N 0 0 190.242 2.197 10 0 AEAERN Fc1cccc(-c2ncccn2)c1F 144990302 573890208 /nfs/dbraw/zinc/89/02/08/573890208.db2.gz JZISAHXWDUHGMR-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN CCc1ccccc1O[C@@H](C)[C@H](C)O 44233777 573890249 /nfs/dbraw/zinc/89/02/49/573890249.db2.gz GZBKYWDADDVBAD-UWVGGRQHSA-N 0 0 194.274 2.397 10 0 AEAERN CCCc1ccc(CON)cc1 84428143 573890313 /nfs/dbraw/zinc/89/03/13/573890313.db2.gz JFPFVHCTCYTRCN-UHFFFAOYSA-N 0 0 165.236 2.029 10 0 AEAERN CCc1ccc([C@@H](O)[C@@H](C)OC)cc1 44192567 573890322 /nfs/dbraw/zinc/89/03/22/573890322.db2.gz ZAETVTWJTAQRCN-SKDRFNHKSA-N 0 0 194.274 2.317 10 0 AEAERN Cc1coc(NC2CCCC2)n1 76595560 573890358 /nfs/dbraw/zinc/89/03/58/573890358.db2.gz PYHCZJYANHJGHX-UHFFFAOYSA-N 0 0 166.224 2.338 10 0 AEAERN Cc1ccc(C(=O)[C@H]2OCC[C@H]2C)o1 123005697 573890359 /nfs/dbraw/zinc/89/03/59/573890359.db2.gz COFLSERKLWOXJZ-HQJQHLMTSA-N 0 0 194.230 2.196 10 0 AEAERN CC(C)CCCO[C@@H](C)[C@H](C)O 44227876 573890386 /nfs/dbraw/zinc/89/03/86/573890386.db2.gz OFBOOKIAVLQTNN-UWVGGRQHSA-N 0 0 174.284 2.209 10 0 AEAERN Cc1c(O)cnc2cc(F)ccc12 257894725 573890434 /nfs/dbraw/zinc/89/04/34/573890434.db2.gz NXUZPWXFNTZERB-UHFFFAOYSA-N 0 0 177.178 2.388 10 0 AEAERN CC[C@@H](OC)[C@@H](O)c1ccccc1 44192663 573890470 /nfs/dbraw/zinc/89/04/70/573890470.db2.gz YOGMYHQFVWAODY-MNOVXSKESA-N 0 0 180.247 2.145 10 0 AEAERN CC(C)(C)[C@H](O)[C@@H]1C=CCC1 238180972 573890482 /nfs/dbraw/zinc/89/04/82/573890482.db2.gz KXEUKGMOLQUPSK-RKDXNWHRSA-N 0 0 154.253 2.360 10 0 AEAERN CCc1ccc(O[C@H](C)[C@H](C)O)cc1 44196862 573890493 /nfs/dbraw/zinc/89/04/93/573890493.db2.gz AKTUEVBBLRTXFO-VHSXEESVSA-N 0 0 194.274 2.397 10 0 AEAERN Cc1ccccc1-c1cc(C=O)ncn1 258990079 573890521 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573890617 /nfs/dbraw/zinc/89/06/17/573890617.db2.gz GESDOOCIZRYQCI-WDEREUQCSA-N 0 0 186.295 2.497 10 0 AEAERN CCC(CC)Nc1cc(C)[nH]n1 76596175 573890655 /nfs/dbraw/zinc/89/06/55/573890655.db2.gz AFZCYVSEKPVAAQ-UHFFFAOYSA-N 0 0 167.256 2.319 10 0 AEAERN CCC(CC)Nc1cncnc1 76595229 573890705 /nfs/dbraw/zinc/89/07/05/573890705.db2.gz NYSHHHJUZZAZFQ-UHFFFAOYSA-N 0 0 165.240 2.077 10 0 AEAERN S=c1[nH]ccn1CCc1ccc[nH]1 144954587 573890708 /nfs/dbraw/zinc/89/07/08/573890708.db2.gz NUTRDVWXMKAVPY-UHFFFAOYSA-N 0 0 193.275 2.116 10 0 AEAERN Cc1cccc(OCC(C)(C)CO)c1 41206754 573890740 /nfs/dbraw/zinc/89/07/40/573890740.db2.gz GMTDXZJKIISGSQ-UHFFFAOYSA-N 0 0 194.274 2.392 10 0 AEAERN CC(C)(C)[C@H](O)[C@H]1C=CCC1 238180610 573890808 /nfs/dbraw/zinc/89/08/08/573890808.db2.gz KXEUKGMOLQUPSK-DTWKUNHWSA-N 0 0 154.253 2.360 10 0 AEAERN CCC[C@H]1CC[C@@H](O)[C@H](OCC)C1 44193121 573891548 /nfs/dbraw/zinc/89/15/48/573891548.db2.gz WPRVAJJXMNHDRH-HBNTYKKESA-N 0 0 186.295 2.353 10 0 AEAERN Cc1ccc(-c2ccc(N)nn2)cc1C 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573937868 /nfs/dbraw/zinc/93/78/68/573937868.db2.gz FGFYECBTVWAAJT-UHFFFAOYSA-N 0 0 180.169 2.365 10 0 AEAERN CC(C)[C@H]1Cc2ccc(O)cc2O1 238197925 573937872 /nfs/dbraw/zinc/93/78/72/573937872.db2.gz WAVMKMUBJNQJJV-SNVBAGLBSA-N 0 0 178.231 2.352 10 0 AEAERN CCn1cnnc1[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 716453154 573937876 /nfs/dbraw/zinc/93/78/76/573937876.db2.gz UCQYCFGCVQXDAP-ZYUZMQFOSA-N 0 0 191.278 2.058 10 0 AEAERN CC1(C)C=C[C@@H]2C(=O)C[C@@]21C 238197752 573937960 /nfs/dbraw/zinc/93/79/60/573937960.db2.gz AMVIXNMDGYCZSR-XCBNKYQSSA-N 0 0 150.221 2.178 10 0 AEAERN N#CNc1ccc(NC#N)c(Cl)c1 222811082 573940460 /nfs/dbraw/zinc/94/04/60/573940460.db2.gz DOKRFTYWECUQOL-UHFFFAOYSA-N 0 0 192.609 2.126 10 0 AEAERN COc1cccc(F)c1[C@@H](O)C1CC1 87544941 573940463 /nfs/dbraw/zinc/94/04/63/573940463.db2.gz BJPYPQXEFHUBPN-NSHDSACASA-N 0 0 196.221 2.278 10 0 AEAERN CC1(C)CCCC[C@@H](O)C1 238201406 573940485 /nfs/dbraw/zinc/94/04/85/573940485.db2.gz JINMXKXUXFMJEH-MRVPVSSYSA-N 0 0 142.242 2.338 10 0 AEAERN 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SJTWFMBKEOSWKQ-UHFFFAOYSA-N 0 0 194.156 2.216 10 0 AEAERN O=C(CC1CC1)c1cncc(F)c1 87580887 573952312 /nfs/dbraw/zinc/95/23/12/573952312.db2.gz FAPSJQLOAXLSJO-UHFFFAOYSA-N 0 0 179.194 2.204 10 0 AEAERN Cn1nc2c(c1Cl)CCCCC2 85018548 573952338 /nfs/dbraw/zinc/95/23/38/573952338.db2.gz CITGBVHPFZKBFN-UHFFFAOYSA-N 0 0 184.670 2.342 10 0 AEAERN C[C@@H](O)c1csc(CC2CC2)n1 87583385 573952341 /nfs/dbraw/zinc/95/23/41/573952341.db2.gz JNGKQXWQWLIXTN-ZCFIWIBFSA-N 0 0 183.276 2.149 10 0 AEAERN Cc1ccc(C(=O)CC2CC2)cn1 87580937 573952356 /nfs/dbraw/zinc/95/23/56/573952356.db2.gz PTMOLXCQPKKWIO-UHFFFAOYSA-N 0 0 175.231 2.373 10 0 AEAERN CCc1cc(C(C)(C)O)c(C)cc1O 258186915 573952368 /nfs/dbraw/zinc/95/23/68/573952368.db2.gz XAMBOYHHTYLIBJ-UHFFFAOYSA-N 0 0 194.274 2.490 10 0 AEAERN CC(C)Oc1cc(C(C)C)[nH]c(=O)n1 238207802 573952380 /nfs/dbraw/zinc/95/23/80/573952380.db2.gz SARALMAQPINDNN-UHFFFAOYSA-N 0 0 196.250 2.093 10 0 AEAERN CC[C@H](C)Nc1c(N)c(C)nn1CC 85022287 573952398 /nfs/dbraw/zinc/95/23/98/573952398.db2.gz RHUHAYPYDRRDTA-ZETCQYMHSA-N 0 0 196.298 2.004 10 0 AEAERN CC(F)(F)[C@@H]1CCCC(=O)C1 238206901 573952426 /nfs/dbraw/zinc/95/24/26/573952426.db2.gz ZJPYBNLZWDKVEQ-ZCFIWIBFSA-N 0 0 162.179 2.401 10 0 AEAERN CCc1ccn([C@@H](C)CC)n1 85020385 573952450 /nfs/dbraw/zinc/95/24/50/573952450.db2.gz KELYRPAZTPIZCD-QMMMGPOBSA-N 0 0 152.241 2.417 10 0 AEAERN CC1(C)CCC(=O)c2cnccc21 238207793 573952541 /nfs/dbraw/zinc/95/25/41/573952541.db2.gz MHYMYKOEUYRZOB-UHFFFAOYSA-N 0 0 175.231 2.336 10 0 AEAERN c1ccn(CCCCn2ccnc2)c1 45109266 573952545 /nfs/dbraw/zinc/95/25/45/573952545.db2.gz MQVMSMBDMVINOY-UHFFFAOYSA-N 0 0 189.262 2.165 10 0 AEAERN CC(C)(C)c1nc(Cl)c(N)cc1N 257912096 573956064 /nfs/dbraw/zinc/95/60/64/573956064.db2.gz WZHLFHAPSQUYSD-UHFFFAOYSA-N 0 0 199.685 2.197 10 0 AEAERN CCn1nc(C)c(N)c1NC(C)(C)C 85022343 573955439 /nfs/dbraw/zinc/95/54/39/573955439.db2.gz XYFRKLVCWFOLDX-UHFFFAOYSA-N 0 0 196.298 2.004 10 0 AEAERN CC1(C)C(=O)[C@@H]2CCC=C[C@H]21 238210610 573956071 /nfs/dbraw/zinc/95/60/71/573956071.db2.gz XYMJNJHPZACPCA-HTQZYQBOSA-N 0 0 150.221 2.178 10 0 AEAERN CSc1cc(N)n([C@H](C)C2CC2)n1 87584281 573955503 /nfs/dbraw/zinc/95/55/03/573955503.db2.gz RKMYHESMKWIHMM-ZCFIWIBFSA-N 0 0 197.307 2.158 10 0 AEAERN Cc1cccc(C[C@@H](F)[C@@H](C)O)c1 257912785 573955602 /nfs/dbraw/zinc/95/56/02/573955602.db2.gz QLZFOCQTSKRHMN-MWLCHTKSSA-N 0 0 182.238 2.256 10 0 AEAERN CCC(C)(CC)[NH2+]C/C(C)=C\C(=O)[O-] 308471601 573955641 /nfs/dbraw/zinc/95/56/41/573955641.db2.gz PTGXZZAJFFYMQW-CLFYSBASSA-N 0 0 199.294 2.186 10 0 AEAERN OCC1=CC=C2C=CC=C3C=CC=C1[C@H]32 257911790 573955714 /nfs/dbraw/zinc/95/57/14/573955714.db2.gz AVIQOWDTBUTOGN-CQSZACIVSA-N 0 0 196.249 2.454 10 0 AEAERN Cc1nc(CC2CC2)sc1[C@H](C)O 87583371 573955739 /nfs/dbraw/zinc/95/57/39/573955739.db2.gz YLVIPMRBWJOPCT-ZETCQYMHSA-N 0 0 197.303 2.457 10 0 AEAERN Cc1ccn2nc(CC(C)C)nc2c1 257911229 573955777 /nfs/dbraw/zinc/95/57/77/573955777.db2.gz GYHYGJXWUVNKHY-UHFFFAOYSA-N 0 0 189.262 2.236 10 0 AEAERN Clc1ccnc(CC2CC2)n1 87580589 573955815 /nfs/dbraw/zinc/95/58/15/573955815.db2.gz XNFCYRCWFLQPSZ-UHFFFAOYSA-N 0 0 168.627 2.083 10 0 AEAERN CC(C)Nc1nc(CC2CC2)ns1 87584205 573955827 /nfs/dbraw/zinc/95/58/27/573955827.db2.gz XPFABQTUDNSQNB-UHFFFAOYSA-N 0 0 197.307 2.311 10 0 AEAERN C[C@H](O)c1csc(CC2CC2)n1 87583384 573955905 /nfs/dbraw/zinc/95/59/05/573955905.db2.gz JNGKQXWQWLIXTN-LURJTMIESA-N 0 0 183.276 2.149 10 0 AEAERN O[C@@H](CC1CCC1)CC1CC1 87581355 573955924 /nfs/dbraw/zinc/95/59/24/573955924.db2.gz RAFMPZIHTHGPCJ-JTQLQIEISA-N 0 0 154.253 2.338 10 0 AEAERN CC[C@H](C[C@@H](C)O)n1cccc1 716871353 573955927 /nfs/dbraw/zinc/95/59/27/573955927.db2.gz KFSNGRPMRXXBIM-NXEZZACHSA-N 0 0 167.252 2.210 10 0 AEAERN COCc1cc2cccc(N)c2o1 257911733 573956087 /nfs/dbraw/zinc/95/60/87/573956087.db2.gz PVXUTAFGYMSLNM-UHFFFAOYSA-N 0 0 177.203 2.161 10 0 AEAERN CC[C@H](CO)Cc1cccs1 85041389 573956090 /nfs/dbraw/zinc/95/60/90/573956090.db2.gz NHMTYDYKISHVFM-QMMMGPOBSA-N 0 0 170.277 2.309 10 0 AEAERN CCC=C=C[C@@H](CC)CO 238216697 573963212 /nfs/dbraw/zinc/96/32/12/573963212.db2.gz QHQFGEPPQXWJHV-IOJJLOCKSA-N 0 0 140.226 2.126 10 0 AEAERN C[C@H](F)Oc1cccc2c1NCC2 257912944 573963409 /nfs/dbraw/zinc/96/34/09/573963409.db2.gz FMVIBTZWNVJSCA-SSDOTTSWSA-N 0 0 181.210 2.349 10 0 AEAERN CCc1oc(N)nc1CC(C)C 257912896 573963430 /nfs/dbraw/zinc/96/34/30/573963430.db2.gz APYBRHSTQVEBDA-UHFFFAOYSA-N 0 0 168.240 2.018 10 0 AEAERN CC(=O)[C@H](F)Cc1cccc(C)c1 257922309 573963478 /nfs/dbraw/zinc/96/34/78/573963478.db2.gz RQHHUWDRTGFOMG-LLVKDONJSA-N 0 0 180.222 2.465 10 0 AEAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OC(N)=O)C2 238216183 573963568 /nfs/dbraw/zinc/96/35/68/573963568.db2.gz JFIIKUVKFMNHLU-FYBVGQRMSA-N 0 0 197.278 2.297 10 0 AEAERN CC(C)[C@H](O)[C@@H]1CC[C@@H](C)CC1=O 238217183 573963585 /nfs/dbraw/zinc/96/35/85/573963585.db2.gz BXWQGRMWTLWYTB-KKZNHRDASA-N 0 0 184.279 2.009 10 0 AEAERN Cn1ccnc1Oc1ccc(F)cc1 257913469 573963600 /nfs/dbraw/zinc/96/36/00/573963600.db2.gz QDHWFNUZOMQROZ-UHFFFAOYSA-N 0 0 192.193 2.352 10 0 AEAERN CC(C)[Si](C)(C)[C@@H](C)CO 238216195 573963691 /nfs/dbraw/zinc/96/36/91/573963691.db2.gz KCFPOUKCICJRNW-QMMMGPOBSA-N 0 0 160.333 2.487 10 0 AEAERN CC/C=C(/CC)[C@H](C)O 238217041 573963704 /nfs/dbraw/zinc/96/37/04/573963704.db2.gz WTZWUDSMKAHWAA-VQKCLUMFSA-N 0 0 128.215 2.114 10 0 AEAERN NOCc1ccc2c(c1F)CCCC2 258191954 573963750 /nfs/dbraw/zinc/96/37/50/573963750.db2.gz XMIUCGAUPQWVOV-UHFFFAOYSA-N 0 0 195.237 2.095 10 0 AEAERN Cc1cc(-c2cc(=O)cc[nH]2)ccn1 235856151 573963836 /nfs/dbraw/zinc/96/38/36/573963836.db2.gz FLMGBAYEPBCLDX-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN CC1(C)CCOc2cnccc21 238216811 573963837 /nfs/dbraw/zinc/96/38/37/573963837.db2.gz CKTRHZLZGLRLHJ-UHFFFAOYSA-N 0 0 163.220 2.142 10 0 AEAERN Nc1cnc(Oc2cccc(F)c2)o1 257913462 573963855 /nfs/dbraw/zinc/96/38/55/573963855.db2.gz QCZFVDXOPQRTEM-UHFFFAOYSA-N 0 0 194.165 2.188 10 0 AEAERN CC/C=C(/CC)[C@@H](C)O 238216963 573963916 /nfs/dbraw/zinc/96/39/16/573963916.db2.gz WTZWUDSMKAHWAA-QHRPWQPMSA-N 0 0 128.215 2.114 10 0 AEAERN CSc1ccc(CON)cc1C 258191979 573963924 /nfs/dbraw/zinc/96/39/24/573963924.db2.gz XMPMGBSITQTIPA-UHFFFAOYSA-N 0 0 183.276 2.107 10 0 AEAERN C[C@@H](F)c1ccc(OCCCO)cc1 258190769 573963931 /nfs/dbraw/zinc/96/39/31/573963931.db2.gz VYTUMOFGRWLDHP-SECBINFHSA-N 0 0 198.237 2.478 10 0 AEAERN Cc1c(N)cnc2c(F)cccc12 257912835 573963199 /nfs/dbraw/zinc/96/31/99/573963199.db2.gz QMQPASUCSXVAAK-UHFFFAOYSA-N 0 0 176.194 2.265 10 0 AEAERN Cc1cc(F)c(CON)cc1Cl 258192086 573966151 /nfs/dbraw/zinc/96/61/51/573966151.db2.gz XOWCOFSIEPDZEM-UHFFFAOYSA-N 0 0 189.617 2.178 10 0 AEAERN N[C@@H](c1ccsc1)c1cscn1 87594368 573966159 /nfs/dbraw/zinc/96/61/59/573966159.db2.gz LKZAKLVBWSMHNL-QMMMGPOBSA-N 0 0 196.300 2.253 10 0 AEAERN CC(C)c1cccc2c1N[C@@H](CO)C2 238219450 573965533 /nfs/dbraw/zinc/96/55/33/573965533.db2.gz VSPUFLBUMQDYRP-SNVBAGLBSA-N 0 0 191.274 2.139 10 0 AEAERN C[C@@H]1CC[C@H]([C@@H]2COC[C@H]2O)C[C@H]1C 687968158 573965589 /nfs/dbraw/zinc/96/55/89/573965589.db2.gz XYTXAJVLJCFTAP-LDMBFOFVSA-N 0 0 198.306 2.066 10 0 AEAERN Cc1cc(CNO)cc(F)c1CF 258191992 573966258 /nfs/dbraw/zinc/96/62/58/573966258.db2.gz XMZGCWIOSQLFBX-UHFFFAOYSA-N 0 0 187.189 2.082 10 0 AEAERN C[C@H](CO)c1cnc(C2CCC2)o1 258191335 573965648 /nfs/dbraw/zinc/96/56/48/573965648.db2.gz SNMKJVNKEGFURO-SSDOTTSWSA-N 0 0 181.235 2.038 10 0 AEAERN O[C@@H](CC1CCC1)c1cscn1 87589322 573965686 /nfs/dbraw/zinc/96/56/86/573965686.db2.gz VPUAWBZPGRRCBQ-VIFPVBQESA-N 0 0 183.276 2.367 10 0 AEAERN CC1(C)[C@H]2C[C@](C)(Cl)[C@@H](O)C[C@H]21 238218987 573965726 /nfs/dbraw/zinc/96/57/26/573965726.db2.gz VSLWVGMTVWNENR-VEVYYDQMSA-N 0 0 188.698 2.411 10 0 AEAERN CC(C)c1cccc2c1C[C@H](CO)N2 238219815 573965760 /nfs/dbraw/zinc/96/57/60/573965760.db2.gz QDCODRYRYKANHY-SECBINFHSA-N 0 0 191.274 2.139 10 0 AEAERN CC(C)[C@H](O)[C@H]1CC[C@@H](C)CC1=O 238219382 573965796 /nfs/dbraw/zinc/96/57/96/573965796.db2.gz BXWQGRMWTLWYTB-YWVKMMECSA-N 0 0 184.279 2.009 10 0 AEAERN CC(C)[C@H](O)[C@H]1[C@@H](C)C1(Cl)Cl 238219705 573965804 /nfs/dbraw/zinc/96/58/04/573965804.db2.gz RYLYHKSRXYMNSE-QYNIQEEDSA-N 0 0 197.105 2.443 10 0 AEAERN CO[C@H](C)c1ccc(C[C@@H](C)O)cc1 258191959 573965810 /nfs/dbraw/zinc/96/58/10/573965810.db2.gz XMLGKKJAZBPKAC-NXEZZACHSA-N 0 0 194.274 2.317 10 0 AEAERN CC1(C)CC[C@@]2(CCCC2=O)O1 238219299 573965815 /nfs/dbraw/zinc/96/58/15/573965815.db2.gz QRHNBAJGAFXFOW-SNVBAGLBSA-N 0 0 168.236 2.067 10 0 AEAERN CCC/C=C1/C[C@@H](O)OC1(C)C 238218448 573965882 /nfs/dbraw/zinc/96/58/82/573965882.db2.gz LWZAOJMVMQDVJD-XZLDQRQTSA-N 0 0 170.252 2.230 10 0 AEAERN CC(C)/C=C/[C@@H]1[C@H]2CCC(=O)[C@@H]12 238219816 573965923 /nfs/dbraw/zinc/96/59/23/573965923.db2.gz ZKLMSDHSAQAQPL-SGZWINNXSA-N 0 0 164.248 2.424 10 0 AEAERN CC1(C)CCC[C@@]2(C1)C(=O)CC[C@H]2O 238219183 573965934 /nfs/dbraw/zinc/96/59/34/573965934.db2.gz OMBRKOYWPJEFMP-SKDRFNHKSA-N 0 0 196.290 2.297 10 0 AEAERN CONCc1cccc(C)c1Cl 258192025 573965958 /nfs/dbraw/zinc/96/59/58/573965958.db2.gz XNWBJBRIBUOAPY-UHFFFAOYSA-N 0 0 185.654 2.299 10 0 AEAERN CCCC[C@@H](O)c1cscn1 87589190 573965995 /nfs/dbraw/zinc/96/59/95/573965995.db2.gz BNJQBTFZWDZBBO-MRVPVSSYSA-N 0 0 171.265 2.367 10 0 AEAERN CC[C@@H](C)C(=O)c1cscn1 87589049 573966001 /nfs/dbraw/zinc/96/60/01/573966001.db2.gz SQDFOORDVFXSSF-ZCFIWIBFSA-N 0 0 169.249 2.372 10 0 AEAERN C[C@H]1CCc2cccc([C@@H](C)O)c2O1 258192111 573966007 /nfs/dbraw/zinc/96/60/07/573966007.db2.gz XPILBFWRWJHJND-DTWKUNHWSA-N 0 0 192.258 2.453 10 0 AEAERN CC(C)c1cccc2c1N[C@H](CO)C2 238219305 573966034 /nfs/dbraw/zinc/96/60/34/573966034.db2.gz VSPUFLBUMQDYRP-JTQLQIEISA-N 0 0 191.274 2.139 10 0 AEAERN CC(C)/C=C/[C@@H](CO)C(C)C 238219136 573966066 /nfs/dbraw/zinc/96/60/66/573966066.db2.gz FSFZJMDNGPXBSO-PORFMDCZSA-N 0 0 156.269 2.463 10 0 AEAERN CC1(C)[C@H]2CC=C(C3OCCO3)[C@@H]1C2 104403090 573977115 /nfs/dbraw/zinc/97/71/15/573977115.db2.gz PCOQCNRYNPBNBD-WPRPVWTQSA-N 0 0 194.274 2.352 10 0 AEAERN Fc1ccc(F)c(-c2c[nH]cn2)c1F 104399248 573976520 /nfs/dbraw/zinc/97/65/20/573976520.db2.gz 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87680886 574008416 /nfs/dbraw/zinc/00/84/16/574008416.db2.gz MVVDMUFVQPYBDS-SSDOTTSWSA-N 0 0 197.307 2.325 10 0 AEAERN CC1(C)C=CC[C@@]2(C1)C(=O)CC[C@H]2O 238246309 574008432 /nfs/dbraw/zinc/00/84/32/574008432.db2.gz HZKQVIDWRCSSHJ-SKDRFNHKSA-N 0 0 194.274 2.073 10 0 AEAERN CCN(C)c1cccc(NC)c1 259272235 574008454 /nfs/dbraw/zinc/00/84/54/574008454.db2.gz NTKSHYNTUHPRLK-UHFFFAOYSA-N 0 0 164.252 2.184 10 0 AEAERN CCCNC(=S)c1ncccc1C 238247617 574008557 /nfs/dbraw/zinc/00/85/57/574008557.db2.gz SCJHQSZYVMRYLF-UHFFFAOYSA-N 0 0 194.303 2.065 10 0 AEAERN CCC(=O)c1ccsc1C=O 238246736 574008580 /nfs/dbraw/zinc/00/85/80/574008580.db2.gz DUQZKVMAQDHKPZ-UHFFFAOYSA-N 0 0 168.217 2.153 10 0 AEAERN O[C@H](CC1CCC1)[C@@H]1CCCS1 87703212 574019174 /nfs/dbraw/zinc/01/91/74/574019174.db2.gz YAZQVZLOKNVBDK-ZJUUUORDSA-N 0 0 186.320 2.433 10 0 AEAERN CCC[C@H](O)[C@@H]1CCCS1 87702390 574019176 /nfs/dbraw/zinc/01/91/76/574019176.db2.gz WVZKCPLDLSPRPQ-YUMQZZPRSA-N 0 0 160.282 2.043 10 0 AEAERN 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/nfs/dbraw/zinc/01/88/40/574018840.db2.gz CAUBGBCIDUCRJR-UHFFFAOYSA-N 0 0 168.583 2.063 10 0 AEAERN O[C@@H](CC1CCC1)[C@H]1CCCS1 87703214 574018849 /nfs/dbraw/zinc/01/88/49/574018849.db2.gz YAZQVZLOKNVBDK-VHSXEESVSA-N 0 0 186.320 2.433 10 0 AEAERN CCC[C@@H](O)[C@H]1CCCS1 87702396 574018881 /nfs/dbraw/zinc/01/88/81/574018881.db2.gz WVZKCPLDLSPRPQ-HTQZYQBOSA-N 0 0 160.282 2.043 10 0 AEAERN C[C@H](O)c1ccccc1C(C)(C)CO 259274943 574018886 /nfs/dbraw/zinc/01/88/86/574018886.db2.gz BFBDWRCBJXISIK-VIFPVBQESA-N 0 0 194.274 2.010 10 0 AEAERN CC[C@H](C)[C@@H](O)[C@@H]1CCCS1 87703200 574018888 /nfs/dbraw/zinc/01/88/88/574018888.db2.gz HOGLTZULSWOKHB-XHNCKOQMSA-N 0 0 174.309 2.289 10 0 AEAERN CC[C@@H]([NH3+])c1cc(C(=O)[O-])ccc1C 104509100 574018900 /nfs/dbraw/zinc/01/89/00/574018900.db2.gz FGAJIJATBROVIH-SNVBAGLBSA-N 0 0 193.246 2.103 10 0 AEAERN C=Cc1nc([C@@H]2CCCS2)no1 87699592 574018948 /nfs/dbraw/zinc/01/89/48/574018948.db2.gz GTIZMLHVVCXOKX-LURJTMIESA-N 0 0 182.248 2.281 10 0 AEAERN CCC[C@H](O)/C(F)=C(\C)F 222784555 574018977 /nfs/dbraw/zinc/01/89/77/574018977.db2.gz UIYNEXAFFMUCFE-ZHURGCMGSA-N 0 0 150.168 2.318 10 0 AEAERN CC(C)[C@@H]1C(=O)N(C)c2ccccc21 104505436 574018997 /nfs/dbraw/zinc/01/89/97/574018997.db2.gz HGICPNNSOUUKQN-NSHDSACASA-N 0 0 189.258 2.403 10 0 AEAERN CC(C)OCc1nnc(Cl)s1 87691311 574019025 /nfs/dbraw/zinc/01/90/25/574019025.db2.gz QHJMIADSZFHVQQ-UHFFFAOYSA-N 0 0 192.671 2.117 10 0 AEAERN Nc1cnc([C@@H]2CCCCS2)nc1 87700532 574019028 /nfs/dbraw/zinc/01/90/28/574019028.db2.gz PFRBKBABWOFJQK-QMMMGPOBSA-N 0 0 195.291 2.017 10 0 AEAERN COC[C@H](O)C1CCCCCCC1 87690230 574019036 /nfs/dbraw/zinc/01/90/36/574019036.db2.gz IJTHXNYRMPQERZ-NSHDSACASA-N 0 0 186.295 2.354 10 0 AEAERN COC[C@@H](O)C1CCCCCCC1 87690231 574019081 /nfs/dbraw/zinc/01/90/81/574019081.db2.gz IJTHXNYRMPQERZ-LLVKDONJSA-N 0 0 186.295 2.354 10 0 AEAERN O[C@H](c1ccco1)[C@@H]1CCCS1 87703220 574019089 /nfs/dbraw/zinc/01/90/89/574019089.db2.gz GSRSPYOCVHOPPD-DTWKUNHWSA-N 0 0 184.260 2.209 10 0 AEAERN CC(=O)[C@H](N)c1ccc(C)cc1Cl 104504736 574019105 /nfs/dbraw/zinc/01/91/05/574019105.db2.gz WZUCUDQOSSINHU-JTQLQIEISA-N 0 0 197.665 2.237 10 0 AEAERN O[C@@H](c1cccnc1)[C@H]1CCCS1 87703099 574019127 /nfs/dbraw/zinc/01/91/27/574019127.db2.gz IDKMCIWPGMAOTQ-ZJUUUORDSA-N 0 0 195.287 2.011 10 0 AEAERN O[C@H](c1ccco1)[C@H]1CCCS1 87703224 574019141 /nfs/dbraw/zinc/01/91/41/574019141.db2.gz GSRSPYOCVHOPPD-RKDXNWHRSA-N 0 0 184.260 2.209 10 0 AEAERN O[C@H](C1CCCC1)[C@H]1CCCS1 87703012 574019156 /nfs/dbraw/zinc/01/91/56/574019156.db2.gz BKRCQYPSONRXPE-NXEZZACHSA-N 0 0 186.320 2.433 10 0 AEAERN CCC[C@@H](O)[C@@H]1CCCCS1 87703925 574020386 /nfs/dbraw/zinc/02/03/86/574020386.db2.gz UYQUUCXERINWNU-BDAKNGLRSA-N 0 0 174.309 2.433 10 0 AEAERN O[C@H](C1CC1)[C@@H]1CCCCS1 87704028 574020410 /nfs/dbraw/zinc/02/04/10/574020410.db2.gz CQECDKAKZNOPQY-DTWKUNHWSA-N 0 0 172.293 2.043 10 0 AEAERN CC[C@@H](O)[C@H]1CCCCS1 87703945 574020414 /nfs/dbraw/zinc/02/04/14/574020414.db2.gz HZKLGZRZIVJIIK-HTQZYQBOSA-N 0 0 160.282 2.043 10 0 AEAERN Cc1cc(F)ncc1[C@@H]1CCCC[NH2+]1 104505935 574020445 /nfs/dbraw/zinc/02/04/45/574020445.db2.gz FGZQDPWFLDEROE-JTQLQIEISA-N 0 0 194.253 2.344 10 0 AEAERN Cc1c2c(N)c(Cl)ccc2nn1C 259274393 574020476 /nfs/dbraw/zinc/02/04/76/574020476.db2.gz BXBZQYWHCLUASB-UHFFFAOYSA-N 0 0 195.653 2.117 10 0 AEAERN C[C@@H]([NH3+])c1ccc(C(=O)[O-])c(Cl)c1 104505003 574020483 /nfs/dbraw/zinc/02/04/83/574020483.db2.gz MWRVONPWVKOLBJ-RXMQYKEDSA-N 0 0 199.637 2.058 10 0 AEAERN CC(C)[C@H](O)[C@@H]1CCCCS1 87703947 574020529 /nfs/dbraw/zinc/02/05/29/574020529.db2.gz XSBGVEYAWNKLOD-IUCAKERBSA-N 0 0 174.309 2.289 10 0 AEAERN Clc1nc([C@H]2CCCS2)no1 87714798 574020568 /nfs/dbraw/zinc/02/05/68/574020568.db2.gz GCLICSSISZPJIY-SCSAIBSYSA-N 0 0 190.655 2.291 10 0 AEAERN [NH3+][C@@H]1CCCc2c(O)c(F)cc(F)c21 104506728 574020647 /nfs/dbraw/zinc/02/06/47/574020647.db2.gz KHQMARXPJVNBMK-MRVPVSSYSA-N 0 0 199.200 2.007 10 0 AEAERN COc1ccc2c(c1)NC[C@@H]2F 258524196 574020667 /nfs/dbraw/zinc/02/06/67/574020667.db2.gz MONWHMKHOGNFBU-QMMMGPOBSA-N 0 0 167.183 2.131 10 0 AEAERN CC(C)[C@H]1C(=O)N(C)c2ccccc21 104505432 574020672 /nfs/dbraw/zinc/02/06/72/574020672.db2.gz HGICPNNSOUUKQN-LLVKDONJSA-N 0 0 189.258 2.403 10 0 AEAERN CCNc1nc([C@@H]2CCCS2)no1 87716034 574020680 /nfs/dbraw/zinc/02/06/80/574020680.db2.gz FRRPRJNQTIDCKB-LURJTMIESA-N 0 0 199.279 2.070 10 0 AEAERN Nc1ccnc([C@H]2CCCCS2)n1 87715478 574020699 /nfs/dbraw/zinc/02/06/99/574020699.db2.gz OXXUPAJQKIVRMD-SSDOTTSWSA-N 0 0 195.291 2.017 10 0 AEAERN CC[C@H](O)[C@@H]1CCCCS1 87703939 574020754 /nfs/dbraw/zinc/02/07/54/574020754.db2.gz HZKLGZRZIVJIIK-YUMQZZPRSA-N 0 0 160.282 2.043 10 0 AEAERN F[C@@H]1CCC[C@H]1Nc1nccs1 585385929 574020804 /nfs/dbraw/zinc/02/08/04/574020804.db2.gz LETVUIGJZVFTDI-RNFRBKRXSA-N 0 0 186.255 2.446 10 0 AEAERN O[C@@H](CC1CC1)[C@H]1CCCCS1 87704072 574020816 /nfs/dbraw/zinc/02/08/16/574020816.db2.gz IMMAXKDMWRYJDB-VHSXEESVSA-N 0 0 186.320 2.433 10 0 AEAERN CC[C@@H](O)[C@@H]1CCCCS1 87703941 574020835 /nfs/dbraw/zinc/02/08/35/574020835.db2.gz HZKLGZRZIVJIIK-SFYZADRCSA-N 0 0 160.282 2.043 10 0 AEAERN Cc1c(N)cc2c(c1F)CCCC2=O 104509509 574020842 /nfs/dbraw/zinc/02/08/42/574020842.db2.gz KXFXGDSHTAOILF-UHFFFAOYSA-N 0 0 193.221 2.235 10 0 AEAERN COc1cc(C)ccc1/C(C)=C\CO 223829977 574020855 /nfs/dbraw/zinc/02/08/55/574020855.db2.gz NELPGRGHFSLLEJ-POHAHGRESA-N 0 0 192.258 2.399 10 0 AEAERN C[C@H]([NH3+])c1ccc(C(=O)[O-])c(Cl)c1 104504999 574020889 /nfs/dbraw/zinc/02/08/89/574020889.db2.gz MWRVONPWVKOLBJ-YFKPBYRVSA-N 0 0 199.637 2.058 10 0 AEAERN CC(=O)[C@H](N)c1c(C)cccc1Cl 104504728 574020917 /nfs/dbraw/zinc/02/09/17/574020917.db2.gz UHGZBHHROXOODB-JTQLQIEISA-N 0 0 197.665 2.237 10 0 AEAERN Cc1csc(N(C)C2CCC2)n1 585383623 574020991 /nfs/dbraw/zinc/02/09/91/574020991.db2.gz NDEGRUHQYKWBKJ-UHFFFAOYSA-N 0 0 182.292 2.440 10 0 AEAERN CC(C)Sc1ccc(C=O)cn1 87719689 574023519 /nfs/dbraw/zinc/02/35/19/574023519.db2.gz GAYWJRQJERXXKZ-UHFFFAOYSA-N 0 0 181.260 2.395 10 0 AEAERN C[C@H]1CCC[C@H]1Nc1cccc(N)[nH+]1 87726394 574023548 /nfs/dbraw/zinc/02/35/48/574023548.db2.gz MDOMXUHYDULPTA-DTWKUNHWSA-N 0 0 191.278 2.264 10 0 AEAERN C[C@H](CC1CC1)Nc1cccc(N)[nH+]1 87726383 574023553 /nfs/dbraw/zinc/02/35/53/574023553.db2.gz ISUXEWJBONYDOY-MRVPVSSYSA-N 0 0 191.278 2.264 10 0 AEAERN Nc1cccc(N[C@@H]2CC=CCC2)[nH+]1 87726636 574023558 /nfs/dbraw/zinc/02/35/58/574023558.db2.gz SVYWFLKPWLSUSB-SECBINFHSA-N 0 0 189.262 2.184 10 0 AEAERN O=Cc1c[nH]c([C@H]2CCCCS2)n1 87717226 574023563 /nfs/dbraw/zinc/02/35/63/574023563.db2.gz DBRCBZRJZTXACS-MRVPVSSYSA-N 0 0 196.275 2.180 10 0 AEAERN C[C@@H]1CCC[C@@H]1Nc1cccc(N)[nH+]1 87726388 574023589 /nfs/dbraw/zinc/02/35/89/574023589.db2.gz MDOMXUHYDULPTA-BDAKNGLRSA-N 0 0 191.278 2.264 10 0 AEAERN CO[C@@H](C)Cc1cccc(C=O)c1 259278231 574023609 /nfs/dbraw/zinc/02/36/09/574023609.db2.gz CGEIFBZOWNLNRL-VIFPVBQESA-N 0 0 178.231 2.077 10 0 AEAERN Clc1cc(C2CCOCC2)no1 87723981 574023614 /nfs/dbraw/zinc/02/36/14/574023614.db2.gz 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/nfs/dbraw/zinc/02/37/97/574023797.db2.gz FUVDGSSUEJUHTB-MRVPVSSYSA-N 0 0 179.267 2.122 10 0 AEAERN Nc1cc(-c2sccc2Cl)[nH]n1 87721300 574023816 /nfs/dbraw/zinc/02/38/16/574023816.db2.gz WLJWAUHTGFRUHP-UHFFFAOYSA-N 0 0 199.666 2.374 10 0 AEAERN CN[C@@](C)(C(C)C)C(F)(F)F 85276590 574023817 /nfs/dbraw/zinc/02/38/17/574023817.db2.gz QVWGEJLFGHGWON-LURJTMIESA-N 0 0 169.190 2.183 10 0 AEAERN Cc1c(-c2cc(Cl)on2)cnn1C 87724060 574023868 /nfs/dbraw/zinc/02/38/68/574023868.db2.gz MRUVDOBZVJASKZ-UHFFFAOYSA-N 0 0 197.625 2.037 10 0 AEAERN Cc1c(N)noc1CC(C)(C)C 85278377 574023878 /nfs/dbraw/zinc/02/38/78/574023878.db2.gz KMOHGJDJYLRUEH-UHFFFAOYSA-N 0 0 168.240 2.154 10 0 AEAERN C[C@H]1CCC[C@@H]1Nc1cccc(N)[nH+]1 87726390 574023910 /nfs/dbraw/zinc/02/39/10/574023910.db2.gz MDOMXUHYDULPTA-IUCAKERBSA-N 0 0 191.278 2.264 10 0 AEAERN CCC[C@@H](C)Nc1cccc(N)[nH+]1 87725760 574023917 /nfs/dbraw/zinc/02/39/17/574023917.db2.gz NFYKIRNPVMJNLG-MRVPVSSYSA-N 0 0 179.267 2.264 10 0 AEAERN 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/nfs/dbraw/zinc/03/31/79/574033179.db2.gz WTQDNNOMJCYVRK-QMMMGPOBSA-N 0 0 185.317 2.473 10 0 AEAERN Cc1cc(C)c(N)c(C(=O)C2CC2)c1 143786775 574033235 /nfs/dbraw/zinc/03/32/35/574033235.db2.gz RVYOUOANFYVPQQ-UHFFFAOYSA-N 0 0 189.258 2.478 10 0 AEAERN FCCOc1ccc(F)cc1 87777443 574033295 /nfs/dbraw/zinc/03/32/95/574033295.db2.gz GRYWYAYHEFAXFX-UHFFFAOYSA-N 0 0 158.147 2.174 10 0 AEAERN OCCC1=CCCc2sccc21 143785782 574033337 /nfs/dbraw/zinc/03/33/37/574033337.db2.gz JPHQUNZPDBTJKU-UHFFFAOYSA-N 0 0 180.272 2.460 10 0 AEAERN c1coc([C@@H]2NCCCS2)c1 85314653 574033338 /nfs/dbraw/zinc/03/33/38/574033338.db2.gz HOMDHCWYXUETDY-MRVPVSSYSA-N 0 0 169.249 2.005 10 0 AEAERN CC(C)C[C@H](O)CCCF 87777039 574033339 /nfs/dbraw/zinc/03/33/39/574033339.db2.gz NQCYISWIXMDPOG-MRVPVSSYSA-N 0 0 148.221 2.143 10 0 AEAERN O=C1C[C@H]2C[C@@H]3CCC[C@@]13C2 143769493 574033513 /nfs/dbraw/zinc/03/35/13/574033513.db2.gz ZIFBOKIHYUINRR-WEDXCCLWSA-N 0 0 150.221 2.156 10 0 AEAERN CC(C)(C)[C@@H](O)Cc1ccccc1N 143750830 574033540 /nfs/dbraw/zinc/03/35/40/574033540.db2.gz FBXNVPXBIWJUNK-NSHDSACASA-N 0 0 193.290 2.218 10 0 AEAERN COC(=O)[C@H]1C[C@H]1c1cccc(F)c1 143739276 574033553 /nfs/dbraw/zinc/03/35/53/574033553.db2.gz DVJZYEHLRIXUBO-UWVGGRQHSA-N 0 0 194.205 2.102 10 0 AEAERN C[C@@H]1CC[C@@H](O)[C@H](CCF)C1 87777005 574033554 /nfs/dbraw/zinc/03/35/54/574033554.db2.gz RZIKPDSATCFNMZ-IWSPIJDZSA-N 0 0 160.232 2.143 10 0 AEAERN CC(C)C[C@@H](O)CCCF 87777040 574033575 /nfs/dbraw/zinc/03/35/75/574033575.db2.gz NQCYISWIXMDPOG-QMMMGPOBSA-N 0 0 148.221 2.143 10 0 AEAERN O[C@H]1c2ccccc2C[C@H]1CCF 87776994 574033594 /nfs/dbraw/zinc/03/35/94/574033594.db2.gz KJFPDNZZNCYVTD-MWLCHTKSSA-N 0 0 180.222 2.252 10 0 AEAERN Oc1ccc([C@@H]2NCCCS2)cc1 85314639 574033608 /nfs/dbraw/zinc/03/36/08/574033608.db2.gz NSHQSBKOSYHFHM-SNVBAGLBSA-N 0 0 195.287 2.117 10 0 AEAERN CSc1cc(N)c(F)cc1C 143761452 574033612 /nfs/dbraw/zinc/03/36/12/574033612.db2.gz UQVJFMRXNXUWFL-UHFFFAOYSA-N 0 0 171.240 2.438 10 0 AEAERN c1coc([C@H]2NCCCS2)c1 85314654 574033639 /nfs/dbraw/zinc/03/36/39/574033639.db2.gz HOMDHCWYXUETDY-QMMMGPOBSA-N 0 0 169.249 2.005 10 0 AEAERN C[C@H]1CC[C@]2(CCCCC2=O)O1 143733854 574033648 /nfs/dbraw/zinc/03/36/48/574033648.db2.gz UDTLVCHTVWPSRX-WPRPVWTQSA-N 0 0 168.236 2.067 10 0 AEAERN CC1(C)CC(O)CC(C)(C)[PH]1=O 143738434 574033651 /nfs/dbraw/zinc/03/36/51/574033651.db2.gz BILHAJBFYIPCCQ-UHFFFAOYSA-N 0 0 190.223 2.258 10 0 AEAERN c1cc([C@H]2NCCCS2)co1 85314688 574033739 /nfs/dbraw/zinc/03/37/39/574033739.db2.gz UMLONMWZMPUDQZ-QMMMGPOBSA-N 0 0 169.249 2.005 10 0 AEAERN CC[C@H](C)C[C@H](O)C[C@@H](C)OC 128176421 574033750 /nfs/dbraw/zinc/03/37/50/574033750.db2.gz BRVJXRPENVUINE-AEJSXWLSSA-N 0 0 174.284 2.209 10 0 AEAERN C[C@@H]1CC(=O)c2c(O)cc(F)cc21 143827247 574033850 /nfs/dbraw/zinc/03/38/50/574033850.db2.gz VZBDOKXERIHZHJ-RXMQYKEDSA-N 0 0 180.178 2.221 10 0 AEAERN Cc1nc2ccccc2n1CCF 87777390 574033853 /nfs/dbraw/zinc/03/38/53/574033853.db2.gz IZSUJVPUPZTQKO-UHFFFAOYSA-N 0 0 178.210 2.314 10 0 AEAERN 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/nfs/dbraw/zinc/04/41/61/574044161.db2.gz WTWQKGWAYXEWKJ-MRVPVSSYSA-N 0 0 183.276 2.393 10 0 AEAERN CC(C)C(F)(F)F 112964244 574044272 /nfs/dbraw/zinc/04/42/72/574044272.db2.gz QXALUNHYJJONQH-UHFFFAOYSA-N 0 0 112.094 2.205 10 0 AEAERN CC12CCC(CC1)C(=O)C2 112977294 574044375 /nfs/dbraw/zinc/04/43/75/574044375.db2.gz XGXFQWXNWVCHOG-UHFFFAOYSA-N 0 0 138.210 2.156 10 0 AEAERN CCCC1([C@H]2CNC(=O)C2)CCC1 686133785 574044411 /nfs/dbraw/zinc/04/44/11/574044411.db2.gz WSGDSNDROGERIF-SECBINFHSA-N 0 0 181.279 2.093 10 0 AEAERN C=CC(=O)Oc1ccc(C)cc1C 112984267 574045129 /nfs/dbraw/zinc/04/51/29/574045129.db2.gz VHWRYNUYHZPPDD-UHFFFAOYSA-N 0 0 176.215 2.395 10 0 AEAERN Cc1nc(C)c2sccc2n1 113025336 574045154 /nfs/dbraw/zinc/04/51/54/574045154.db2.gz PXAKCTYAPVOZQI-UHFFFAOYSA-N 0 0 164.233 2.308 10 0 AEAERN CC(C)[C@H](C)CCCO 112967141 574044634 /nfs/dbraw/zinc/04/46/34/574044634.db2.gz QABJATQYUASJEM-MRVPVSSYSA-N 0 0 130.231 2.051 10 0 AEAERN CCCC1([C@@H]2CNC(=O)C2)CCC1 686133791 574044779 /nfs/dbraw/zinc/04/47/79/574044779.db2.gz WSGDSNDROGERIF-VIFPVBQESA-N 0 0 181.279 2.093 10 0 AEAERN CC(C)[C@@H](C)CCCO 112967140 574045007 /nfs/dbraw/zinc/04/50/07/574045007.db2.gz QABJATQYUASJEM-QMMMGPOBSA-N 0 0 130.231 2.051 10 0 AEAERN Cn1c(-c2ccco2)nc2cccnc21 258526125 574048428 /nfs/dbraw/zinc/04/84/28/574048428.db2.gz GVNVBCCUEOBDQN-UHFFFAOYSA-N 0 0 199.213 2.228 10 0 AEAERN CC(C)=C[C@@H]1C(C)(C)[C@]12CNC(=O)O2 39091160 517405851 /nfs/dbraw/zinc/40/58/51/517405851.db2.gz GHHDMFJQIGPFQY-KCJUWKMLSA-N 0 0 195.262 2.087 10 0 AEAERN CC/C=C\CCOC(=O)OC 31351713 517505038 /nfs/dbraw/zinc/50/50/38/517505038.db2.gz BLOXMGXSDAAJGX-PLNGDYQASA-N 0 0 158.197 2.126 10 0 in-vitro AEAERN CC1(C)CCN(C(=O)[C@@H]2CC23CC3)C1 335037635 517506295 /nfs/dbraw/zinc/50/62/95/517506295.db2.gz GXXHWOAKQMOKBZ-VIFPVBQESA-N 0 0 193.290 2.045 10 0 AEAERN CCc1cccc(C)c1NC[C@@H](C)O 32008802 517852855 /nfs/dbraw/zinc/85/28/55/517852855.db2.gz SZMUSQZSHNODFS-SNVBAGLBSA-N 0 0 193.290 2.350 10 0 AEAERN 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/nfs/dbraw/zinc/69/46/23/519694623.db2.gz WREWLDBNPASBOA-ZCFIWIBFSA-N 0 0 199.200 2.162 10 0 AEAERN CC(C)NC(=O)NCC1CCCCC1 135876425 519711693 /nfs/dbraw/zinc/71/16/93/519711693.db2.gz LONLCEHDANBSOP-UHFFFAOYSA-N 0 0 198.310 2.274 10 0 AEAERN CC(C)CNC(=O)[C@@H]1CCC[C@@H]1C 230042112 519739839 /nfs/dbraw/zinc/73/98/39/519739839.db2.gz HPWBTKYOKGHXKC-VHSXEESVSA-N 0 0 183.295 2.195 10 0 AEAERN CC(C)Nc1cccc2c1CCO2 146824193 519741643 /nfs/dbraw/zinc/74/16/43/519741643.db2.gz HAISDBDTHGSJIB-UHFFFAOYSA-N 0 0 177.247 2.442 10 0 AEAERN CC(C)C[C@@H](C)CCCO 78131993 519771656 /nfs/dbraw/zinc/77/16/56/519771656.db2.gz GCBXGQPBCBPHSP-VIFPVBQESA-N 0 0 144.258 2.441 10 0 AEAERN CC(C)c1nc2c(Cl)ncnc2[nH]1 60183790 519872680 /nfs/dbraw/zinc/87/26/80/519872680.db2.gz CCXLFOMHQCRYGT-UHFFFAOYSA-N 0 0 196.641 2.130 10 0 AEAERN CCCC(=O)N[C@@H]1C=CCCC1 238235384 519874585 /nfs/dbraw/zinc/87/45/85/519874585.db2.gz AAYAGTLSVYDDTN-SECBINFHSA-N 0 0 167.252 2.011 10 0 AEAERN CC(C)OC(=O)N[C@@H]1C[C@H]1C1CCC1 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195.241 2.218 10 0 AEAERN CCC[C@@H](C)Nc1cc(C)cnn1 233279908 630824131 /nfs/dbraw/zinc/82/41/31/630824131.db2.gz BRDMVTLBJCLNEH-SECBINFHSA-N 0 0 179.267 2.386 10 0 AEAERN Cc1ccccc1N(C)C(=O)CCF 912830552 630824242 /nfs/dbraw/zinc/82/42/42/630824242.db2.gz URUJYZPTIAZLEO-UHFFFAOYSA-N 0 0 195.237 2.317 10 0 AEAERN CCCCCNc1cc(C)cnn1 232971710 630824375 /nfs/dbraw/zinc/82/43/75/630824375.db2.gz KWTWRDUXWJRXFL-UHFFFAOYSA-N 0 0 179.267 2.387 10 0 AEAERN CCC[C@@H]1C[C@H]1NC(=O)OC(C)C 233303038 630824522 /nfs/dbraw/zinc/82/45/22/630824522.db2.gz AATRUXHJYXLFKL-RKDXNWHRSA-N 0 0 185.267 2.310 10 0 AEAERN CCc1c(N)n[nH]c1[C@H](C)C1CC1 163620598 630824846 /nfs/dbraw/zinc/82/48/46/630824846.db2.gz BYHNREWDVNZWMU-ZCFIWIBFSA-N 0 0 179.267 2.068 10 0 AEAERN CCC[C@@H]([NH2+]CC1(C)CCC1)C(=O)[O-] 233295702 630824954 /nfs/dbraw/zinc/82/49/54/630824954.db2.gz DHRDTPPRDJAHSQ-SECBINFHSA-N 0 0 199.294 2.020 10 0 AEAERN CCCc1c(N)n[nH]c1[C@@H](C)C1CC1 163623080 630825497 /nfs/dbraw/zinc/82/54/97/630825497.db2.gz 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/nfs/dbraw/zinc/82/67/97/630826797.db2.gz AHYWYTHTIGEIHC-UHFFFAOYSA-N 0 0 179.263 2.108 10 0 AEAERN C/C=C\CNC(=O)/C(F)=C(/C)C1CC1 913167218 630826824 /nfs/dbraw/zinc/82/68/24/630826824.db2.gz YXCGCNVSYUKOGH-JWAQTBJPSA-N 0 0 197.253 2.332 10 0 AEAERN CCC[C@H]1C[C@H]1Nc1cc(C)cnn1 233429963 630826950 /nfs/dbraw/zinc/82/69/50/630826950.db2.gz OQTZLYSJMHOHEG-VHSXEESVSA-N 0 0 191.278 2.386 10 0 AEAERN O=C(CCF)N1CC=CC12CCCC2 913206488 630827097 /nfs/dbraw/zinc/82/70/97/630827097.db2.gz UBCGQDIMDRWEJP-UHFFFAOYSA-N 0 0 197.253 2.057 10 0 AEAERN CCC[C@H](C)Nc1cc(C)cnn1 233339600 630827147 /nfs/dbraw/zinc/82/71/47/630827147.db2.gz BRDMVTLBJCLNEH-VIFPVBQESA-N 0 0 179.267 2.386 10 0 AEAERN CCCC(=O)N1CC=CC12CCCC2 913194230 630827231 /nfs/dbraw/zinc/82/72/31/630827231.db2.gz BHWGBZVNLXYDPS-UHFFFAOYSA-N 0 0 193.290 2.498 10 0 AEAERN C/C=C/CNC(=O)/C(F)=C(/C)C1CC1 913167217 630827539 /nfs/dbraw/zinc/82/75/39/630827539.db2.gz YXCGCNVSYUKOGH-FJMRRMLCSA-N 0 0 197.253 2.332 10 0 AEAERN C/C=C\CNC(=O)C1(C2CC2)CCC1 913166336 630827641 /nfs/dbraw/zinc/82/76/41/630827641.db2.gz NHBXSHHQHDYODI-IHWYPQMZSA-N 0 0 193.290 2.259 10 0 AEAERN CCC[C@H]1C[C@H]1Nc1cc(F)ncn1 233430684 630827738 /nfs/dbraw/zinc/82/77/38/630827738.db2.gz ZUPMUMHRMOWQPD-JGVFFNPUSA-N 0 0 195.241 2.216 10 0 AEAERN C/C=C\C(=O)N1CC=CC12CCCC2 913195696 630827811 /nfs/dbraw/zinc/82/78/11/630827811.db2.gz YMAROHUMXLTRAA-KXFIGUGUSA-N 0 0 191.274 2.274 10 0 AEAERN O=C(CCF)NCC[C@@H]1CC=CCC1 913147385 630827831 /nfs/dbraw/zinc/82/78/31/630827831.db2.gz LFHNYSQBXWZPOB-SNVBAGLBSA-N 0 0 199.269 2.209 10 0 AEAERN CCC[C@H]1C[C@@H]1Nc1cc(F)ncn1 233437108 630827904 /nfs/dbraw/zinc/82/79/04/630827904.db2.gz ZUPMUMHRMOWQPD-YUMQZZPRSA-N 0 0 195.241 2.216 10 0 AEAERN CCC[C@H]1C[C@@H]1Nc1cc(C)cnn1 233436306 630827968 /nfs/dbraw/zinc/82/79/68/630827968.db2.gz OQTZLYSJMHOHEG-UWVGGRQHSA-N 0 0 191.278 2.386 10 0 AEAERN C/C=C/CNC(=O)/C(F)=C(\C)C1CC1 913167219 630828156 /nfs/dbraw/zinc/82/81/56/630828156.db2.gz 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/nfs/dbraw/zinc/82/94/01/630829401.db2.gz FEEYNLOEDPUDRL-VNKDHWASSA-N 0 0 193.290 2.377 10 0 AEAERN O=C(CCF)N1CCCC2(CC1)CC2 913342319 630829512 /nfs/dbraw/zinc/82/95/12/630829512.db2.gz ZYVHKDVNLFWESV-UHFFFAOYSA-N 0 0 199.269 2.139 10 0 AEAERN CC[C@@H]1CC[C@H](NC2=NO[C@@H](C)C2)C1 222209686 630832591 /nfs/dbraw/zinc/83/25/91/630832591.db2.gz CDKDGWKMVPJMAS-AEJSXWLSSA-N 0 0 196.294 2.277 10 0 AEAERN CCC/C=C/C(=O)N1CCCCC1 222689308 630835553 /nfs/dbraw/zinc/83/55/53/630835553.db2.gz BMMQCYZKTUNPPP-VMPITWQZSA-N 0 0 181.279 2.355 10 0 AEAERN CC(C)c1c(N)n[nH]c1-c1ccco1 164103241 630833534 /nfs/dbraw/zinc/83/35/34/630833534.db2.gz MRZKMDZOGZUMCP-UHFFFAOYSA-N 0 0 191.234 2.375 10 0 AEAERN CCCC[C@H](CC)C(=O)N1CCCO1 164348257 630834165 /nfs/dbraw/zinc/83/41/65/630834165.db2.gz WFTVQHWBMQGBJY-JTQLQIEISA-N 0 0 199.294 2.367 10 0 AEAERN CCCCC[C@@H]1CSCC(=O)O1 222382966 630834671 /nfs/dbraw/zinc/83/46/71/630834671.db2.gz IMFKNYPZKNUSPS-MRVPVSSYSA-N 0 0 188.292 2.225 10 0 AEAERN CCCC[C@@H](CC)C(=O)N1CCCO1 164348137 630834715 /nfs/dbraw/zinc/83/47/15/630834715.db2.gz WFTVQHWBMQGBJY-SNVBAGLBSA-N 0 0 199.294 2.367 10 0 AEAERN CCc1c(N)n[nH]c1C[C@H](C)CC 164397655 630834941 /nfs/dbraw/zinc/83/49/41/630834941.db2.gz YGPCTRKZHIUDOL-SSDOTTSWSA-N 0 0 181.283 2.143 10 0 AEAERN NC(=O)c1cccc2c1CCCCC2 222255228 630835422 /nfs/dbraw/zinc/83/54/22/630835422.db2.gz KRALTPAATDFQAU-UHFFFAOYSA-N 0 0 189.258 2.054 10 0 AEAERN CCCC(CCC)C(=O)N1CCCO1 164366552 630835543 /nfs/dbraw/zinc/83/55/43/630835543.db2.gz MWXAHVROMDKLLZ-UHFFFAOYSA-N 0 0 199.294 2.367 10 0 AEAERN CCCCC[C@H]1CSCC(=O)O1 222383021 630835690 /nfs/dbraw/zinc/83/56/90/630835690.db2.gz IMFKNYPZKNUSPS-QMMMGPOBSA-N 0 0 188.292 2.225 10 0 AEAERN CCc1c(C[C@H](C)CC)nn(C)c1N 164397884 630835710 /nfs/dbraw/zinc/83/57/10/630835710.db2.gz XXNCHIRRFDVPGN-MRVPVSSYSA-N 0 0 195.310 2.153 10 0 AEAERN CCC/C=C\C(=O)N1CCCCC1 222689259 630835836 /nfs/dbraw/zinc/83/58/36/630835836.db2.gz BMMQCYZKTUNPPP-YVMONPNESA-N 0 0 181.279 2.355 10 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AIKHCCCQSJRTLL-HWKANZROSA-N 0 0 182.141 2.058 10 0 AEAERN c1cnc2c(NC3CC3)cncc2c1 223136752 630839826 /nfs/dbraw/zinc/83/98/26/630839826.db2.gz UPSKNUBRBQLTRV-UHFFFAOYSA-N 0 0 185.230 2.204 10 0 AEAERN CC(C)c1cnc(CN2CCCC2)o1 733304817 630839831 /nfs/dbraw/zinc/83/98/31/630839831.db2.gz UWVBJMRZLMAPDC-UHFFFAOYSA-N 0 0 194.278 2.394 10 0 AEAERN Cc1cn(CCCC(C)C)nc1N 165318888 630841313 /nfs/dbraw/zinc/84/13/13/630841313.db2.gz NXISPNMPNNZZFV-UHFFFAOYSA-N 0 0 181.283 2.210 10 0 AEAERN CN1CCc2cc(NC3CC3)ccc21 82710805 630841841 /nfs/dbraw/zinc/84/18/41/630841841.db2.gz SMLWCSVJSZQWKV-UHFFFAOYSA-N 0 0 188.274 2.253 10 0 AEAERN CCC[C@H]([NH2+]CCCC1CC1)C(=O)[O-] 157022495 630842779 /nfs/dbraw/zinc/84/27/79/630842779.db2.gz PGPACHDSAUSUMM-JTQLQIEISA-N 0 0 199.294 2.020 10 0 AEAERN CC[C@@H](C)c1noc(CNC(C)C)n1 57340849 630844904 /nfs/dbraw/zinc/84/49/04/630844904.db2.gz PQOMQWYTSHYWTA-MRVPVSSYSA-N 0 0 197.282 2.081 10 0 AEAERN CC1CCC(=CC(=O)N2CCC2)CC1 734121096 630847884 /nfs/dbraw/zinc/84/78/84/630847884.db2.gz CQHHUFPWUVFUCB-UHFFFAOYSA-N 0 0 193.290 2.355 10 0 AEAERN CCC(=O)OC[C@@H]1CC=CCC1 166920372 630847919 /nfs/dbraw/zinc/84/79/19/630847919.db2.gz XVVHRXWGVPXREQ-SECBINFHSA-N 0 0 168.236 2.296 10 0 AEAERN CCOC(=O)/C(C)=C/c1ccncc1 166928833 630848060 /nfs/dbraw/zinc/84/80/60/630848060.db2.gz BSGCINSTWPYOIV-CMDGGOBGSA-N 0 0 191.230 2.048 10 0 AEAERN CCCCCCOC(=O)C1=COCC1 734188313 630849193 /nfs/dbraw/zinc/84/91/93/630849193.db2.gz CGQUNRVPLGGTCQ-UHFFFAOYSA-N 0 0 198.262 2.414 10 0 AEAERN O=C1CCCc2ccc(F)cc2C1 168210476 630852234 /nfs/dbraw/zinc/85/22/34/630852234.db2.gz FQAHKHIMNNGHIU-UHFFFAOYSA-N 0 0 178.206 2.274 10 0 AEAERN O=C1C[C@@H]2CC[C@@H]3CC[C@@H]1[C@@H]23 168241897 630852404 /nfs/dbraw/zinc/85/24/04/630852404.db2.gz XEVIFVDDUHEJAP-CHIQAWFVSA-N 0 0 150.221 2.012 10 0 AEAERN C/C=C/C=C\C(=O)NCCCC1CC1 736047184 630852850 /nfs/dbraw/zinc/85/28/50/630852850.db2.gz HDRFOYILODBXHH-SWBALALESA-N 0 0 193.290 2.425 10 0 AEAERN CC(C)CCC(=O)OCc1ccon1 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0 180.226 2.289 10 0 AEAERN C[C@@H]1C[C@H]1Nc1nc(C2CC2)ns1 83668517 525500679 /nfs/dbraw/zinc/50/06/79/525500679.db2.gz NEZFNPYLNVSPIA-IYSWYEEDSA-N 0 0 195.291 2.236 10 0 AEAERN CC(C)Cc1cscn1 3627725 1224161644 /nfs/dbraw/zinc/16/16/44/1224161644.db2.gz ZIIKAYRBIJUENH-UHFFFAOYSA-N 0 0 141.239 2.342 10 0 AEAERN COc1ccc(OC(C)C)c(OC)c1 5761004 1224162211 /nfs/dbraw/zinc/16/22/11/1224162211.db2.gz MJPZDVFACCYCPN-UHFFFAOYSA-N 0 0 196.246 2.491 10 0 AEAERN COc1ccc(OC(C)C)cc1OC 5760989 1224162305 /nfs/dbraw/zinc/16/23/05/1224162305.db2.gz MWLNBEDFVCGBCX-UHFFFAOYSA-N 0 0 196.246 2.491 10 0 AEAERN CC(C)Oc1ccc2c(c1)OCO2 5761007 1224162457 /nfs/dbraw/zinc/16/24/57/1224162457.db2.gz IGCWRGWKLIFTDM-UHFFFAOYSA-N 0 0 180.203 2.203 10 0 AEAERN CCCCNC(=O)OCC(C)C 5792808 1224162596 /nfs/dbraw/zinc/16/25/96/1224162596.db2.gz LNQSASGEEAOEOM-UHFFFAOYSA-N 0 0 173.256 2.169 10 0 AEAERN CCCCOC(=O)NCc1ccco1 5596791 1224162710 /nfs/dbraw/zinc/16/27/10/1224162710.db2.gz HBUMEABAHBMPFS-UHFFFAOYSA-N 0 0 197.234 2.306 10 0 AEAERN CCN(C)C(=O)Oc1ccccc1 5845130 1224163046 /nfs/dbraw/zinc/16/30/46/1224163046.db2.gz CMEHRSPFSMBENE-UHFFFAOYSA-N 0 0 179.219 2.137 10 0 AEAERN CC[C@@H](Oc1ccccc1)C(=O)OC 34741292 1224165726 /nfs/dbraw/zinc/16/57/26/1224165726.db2.gz MFMSDSMLLUAITD-SNVBAGLBSA-N 0 0 194.230 2.017 10 0 AEAERN CCOC(OCC)c1cccc(N)c1 34627496 1224165982 /nfs/dbraw/zinc/16/59/82/1224165982.db2.gz MKJUIJSACIBEPM-UHFFFAOYSA-N 0 0 195.262 2.340 10 0 AEAERN C=CC(=O)N(C)CC1CCCCC1 37832875 1224167635 /nfs/dbraw/zinc/16/76/35/1224167635.db2.gz CTUUHLFJHOKAOS-UHFFFAOYSA-N 0 0 181.279 2.211 10 0 AEAERN Cc1ccc(-c2ccc[nH]c2=O)cc1 65337617 1224174444 /nfs/dbraw/zinc/17/44/44/1224174444.db2.gz KVDZQHFTYNZTGB-UHFFFAOYSA-N 0 0 185.226 2.350 10 0 AEAERN CCc1nccn1CCCCC(C)=O 42419993 1224168926 /nfs/dbraw/zinc/16/89/26/1224168926.db2.gz IDICPBPDULFOFP-UHFFFAOYSA-N 0 0 194.278 2.205 10 0 AEAERN CCOc1ccccc1-c1cc[nH]n1 42415023 1224168970 /nfs/dbraw/zinc/16/89/70/1224168970.db2.gz GKMISJKNBALTEB-UHFFFAOYSA-N 0 0 188.230 2.475 10 0 AEAERN CCc1ccc(-c2ccnc(N)n2)cc1 44117147 1224169445 /nfs/dbraw/zinc/16/94/45/1224169445.db2.gz ZVRJTURGFAVSPS-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN c1csc(-c2ccoc2)n1 44122427 1224169570 /nfs/dbraw/zinc/16/95/70/1224169570.db2.gz ZWQICOIRLOYQFO-UHFFFAOYSA-N 0 0 151.190 2.403 10 0 AEAERN CCc1ccc(-c2cnc(N)cn2)cc1 44117429 1224169636 /nfs/dbraw/zinc/16/96/36/1224169636.db2.gz SVJGQSBNONABMG-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN Cc1cccc(-c2cc[nH]c(=O)c2)c1 44120378 1224169657 /nfs/dbraw/zinc/16/96/57/1224169657.db2.gz DYBUAFHVUBRBSM-UHFFFAOYSA-N 0 0 185.226 2.350 10 0 AEAERN Cc1cccc(-c2cnc(N)cn2)c1 44117393 1224169772 /nfs/dbraw/zinc/16/97/72/1224169772.db2.gz BFGQVSILFKFTGT-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CC[C@H]1CCCC[C@H]1OCCCO 62462137 1224171044 /nfs/dbraw/zinc/17/10/44/1224171044.db2.gz BDFGLTZLVBYBMY-WDEREUQCSA-N 0 0 186.295 2.354 10 0 AEAERN CC[C@@H]1CCCC[C@@H]1OCCCO 62462123 1224171226 /nfs/dbraw/zinc/17/12/26/1224171226.db2.gz BDFGLTZLVBYBMY-MNOVXSKESA-N 0 0 186.295 2.354 10 0 AEAERN CC[C@H]1CCCC[C@@H]1OCCCO 62462128 1224171491 /nfs/dbraw/zinc/17/14/91/1224171491.db2.gz BDFGLTZLVBYBMY-QWRGUYRKSA-N 0 0 186.295 2.354 10 0 AEAERN Cc1ccc2[nH]c(-c3cc[nH]n3)nc2c1 62778029 1224172490 /nfs/dbraw/zinc/17/24/90/1224172490.db2.gz XWQKLJKNJMVHSH-UHFFFAOYSA-N 0 0 198.229 2.261 10 0 AEAERN Cc1ccc2[nH]c(-c3cn[nH]c3)nc2c1 62778028 1224172835 /nfs/dbraw/zinc/17/28/35/1224172835.db2.gz KUXYZLIJJFVWJE-UHFFFAOYSA-N 0 0 198.229 2.261 10 0 AEAERN Oc1ccc(-c2cncc(O)c2)cc1 65337639 1224173614 /nfs/dbraw/zinc/17/36/14/1224173614.db2.gz WQMWSJGMOGFATL-UHFFFAOYSA-N 0 0 187.198 2.160 10 0 AEAERN CCc1ccc(OCOC)cc1 68600243 1224173833 /nfs/dbraw/zinc/17/38/33/1224173833.db2.gz ZBLFCWKVDYDWIY-UHFFFAOYSA-N 0 0 166.220 2.232 10 0 AEAERN Cc1cc(-c2ccc(C)c(N)c2)ncn1 82531259 1224177649 /nfs/dbraw/zinc/17/76/49/1224177649.db2.gz NFECVNZNLTYDOF-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN Cc1ccnc(-c2ccc(C)c(N)c2)n1 82531258 1224178162 /nfs/dbraw/zinc/17/81/62/1224178162.db2.gz AETOEUXVBFHHIO-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN c1c[nH]c(-c2ccc3c(c2)CCCN3)n1 82531279 1224178220 /nfs/dbraw/zinc/17/82/20/1224178220.db2.gz YHSRDLSDRYYANI-UHFFFAOYSA-N 0 0 199.257 2.435 10 0 AEAERN Cc1ccc(C(F)(F)CN)cc1 95774106 1224181948 /nfs/dbraw/zinc/18/19/48/1224181948.db2.gz HHQRZRVDNXWWJX-UHFFFAOYSA-N 0 0 171.190 2.046 10 0 AEAERN Nc1cncc(Nc2ccsc2)c1 122419330 1224182550 /nfs/dbraw/zinc/18/25/50/1224182550.db2.gz XEMIIXPSAXDCIL-UHFFFAOYSA-N 0 0 191.259 2.469 10 0 AEAERN CC[C@@H](C)Nc1ccc(N(C)C)cn1 134311376 1224184298 /nfs/dbraw/zinc/18/42/98/1224184298.db2.gz CVRPHUBSBOAWFE-SECBINFHSA-N 0 0 193.294 2.358 10 0 AEAERN CC[C@H](C)Nc1ccc(N(C)C)cn1 134311398 1224184314 /nfs/dbraw/zinc/18/43/14/1224184314.db2.gz CVRPHUBSBOAWFE-VIFPVBQESA-N 0 0 193.294 2.358 10 0 AEAERN CCCNC(=O)N(CCC)CC1CC1 135788486 1224186286 /nfs/dbraw/zinc/18/62/86/1224186286.db2.gz IZHPPJREYOEIGL-UHFFFAOYSA-N 0 0 198.310 2.228 10 0 AEAERN c1c[nH]c(-c2ccc3ocnc3c2)n1 143066909 1224187022 /nfs/dbraw/zinc/18/70/22/1224187022.db2.gz MXBOORAUBPFXIS-UHFFFAOYSA-N 0 0 185.186 2.218 10 0 AEAERN C#CCc1ccc(N2CCCC2)cc1 143121079 1224187171 /nfs/dbraw/zinc/18/71/71/1224187171.db2.gz UFLVBZVGYIMJEY-UHFFFAOYSA-N 0 0 185.270 2.463 10 0 AEAERN Clc1cnc2sccn12 146087011 1224188058 /nfs/dbraw/zinc/18/80/58/1224188058.db2.gz IZZAPIBYNHNTHQ-UHFFFAOYSA-N 0 0 158.613 2.049 10 0 AEAERN Cc1ncccc1-c1ccncc1N 146598451 1224188595 /nfs/dbraw/zinc/18/85/95/1224188595.db2.gz KSXXBMBLTLPADS-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CCCc1ccc(OC)c(CO)c1 146619438 1224188920 /nfs/dbraw/zinc/18/89/20/1224188920.db2.gz LUWDBUZTMZFRGD-UHFFFAOYSA-N 0 0 180.247 2.140 10 0 AEAERN CC(C)OCCNc1cccc(N)c1 158890406 1224190457 /nfs/dbraw/zinc/19/04/57/1224190457.db2.gz NWFYCOXPZVCAFX-UHFFFAOYSA-N 0 0 194.278 2.106 10 0 AEAERN Cc1nc(Cc2nccs2)cs1 164695757 1224195605 /nfs/dbraw/zinc/19/56/05/1224195605.db2.gz DTQQZIMFVWUHEN-UHFFFAOYSA-N 0 0 196.300 2.499 10 0 AEAERN COc1cc(CO)ccc1CC(C)C 165184642 1224196406 /nfs/dbraw/zinc/19/64/06/1224196406.db2.gz UTZHUGPYWLFGOZ-UHFFFAOYSA-N 0 0 194.274 2.386 10 0 AEAERN C#CCc1cnc2ccccc2c1 165130799 1224196713 /nfs/dbraw/zinc/19/67/13/1224196713.db2.gz DUPCPBHQOMAXDK-UHFFFAOYSA-N 0 0 167.211 2.411 10 0 AEAERN C=CCCCOC(C)C 166260546 1224197538 /nfs/dbraw/zinc/19/75/38/1224197538.db2.gz UEYGTGLJMUWFRC-UHFFFAOYSA-N 0 0 128.215 2.378 10 0 AEAERN c1ccc(CCc2cn[nH]c2)cc1 166314841 1224197807 /nfs/dbraw/zinc/19/78/07/1224197807.db2.gz PJVDFDBXTFZGQP-UHFFFAOYSA-N 0 0 172.231 2.195 10 0 AEAERN CC(C)CCNC(=O)OCC(C)C 166441401 1224198807 /nfs/dbraw/zinc/19/88/07/1224198807.db2.gz YKOGCEHPFADOFB-UHFFFAOYSA-N 0 0 187.283 2.415 10 0 AEAERN Nc1ccccc1CC1CCOCC1 168123384 1224199614 /nfs/dbraw/zinc/19/96/14/1224199614.db2.gz OUKVYAPFDRBDNL-UHFFFAOYSA-N 0 0 191.274 2.238 10 0 AEAERN CC1(C)C=Cc2c(O)cc(O)cc2O1 168218330 1224199694 /nfs/dbraw/zinc/19/96/94/1224199694.db2.gz YYXCJULMDCUPPI-UHFFFAOYSA-N 0 0 192.214 2.282 10 0 AEAERN OCc1ccc(C(F)F)s1 168126829 1224199888 /nfs/dbraw/zinc/19/98/88/1224199888.db2.gz CBNLKWMMSQRXFD-UHFFFAOYSA-N 0 0 164.176 2.178 10 0 AEAERN C#CCc1cc2ccccc2[nH]1 168151808 1224200087 /nfs/dbraw/zinc/20/00/87/1224200087.db2.gz GOEBCQOPRNMOPS-UHFFFAOYSA-N 0 0 155.200 2.344 10 0 AEAERN CCc1cccc(-c2cnc(N)cn2)c1 168247822 1224200099 /nfs/dbraw/zinc/20/00/99/1224200099.db2.gz WFVNFSYGTRWEAY-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN CC(C)Cc1cncc(F)c1 168149194 1224200210 /nfs/dbraw/zinc/20/02/10/1224200210.db2.gz NYHKWPLJFNUVGO-UHFFFAOYSA-N 0 0 153.200 2.419 10 0 AEAERN CCc1cccc(-c2ccnc(N)n2)c1 168344950 1224200799 /nfs/dbraw/zinc/20/07/99/1224200799.db2.gz LOUOSZLEECHYNW-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN CCc1cccc(-c2ccc(N)nn2)c1 168344539 1224201052 /nfs/dbraw/zinc/20/10/52/1224201052.db2.gz ZSFNXFSJQHJJAU-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN CCc1cccc(-c2cc(N)ncn2)c1 168340090 1224201327 /nfs/dbraw/zinc/20/13/27/1224201327.db2.gz LOBOLPDLRWMQAQ-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN C=Cc1ccc(OC)c(NC(C)=O)c1 196199797 1224203488 /nfs/dbraw/zinc/20/34/88/1224203488.db2.gz RYQDJUJGHBLPSK-UHFFFAOYSA-N 0 0 191.230 2.297 10 0 AEAERN CN(C)c1ncc(Cl)cc1Cl 196487935 1224204154 /nfs/dbraw/zinc/20/41/54/1224204154.db2.gz KAPQLWOXINUWKW-UHFFFAOYSA-N 0 0 191.061 2.454 10 0 AEAERN OCc1ccc(Cc2cccnc2)cc1 196554331 1224204482 /nfs/dbraw/zinc/20/44/82/1224204482.db2.gz AYSBWMFUPFZWDF-UHFFFAOYSA-N 0 0 199.253 2.165 10 0 AEAERN CC(C)=CCC[C@@H](C)OCCO 196620884 1224204829 /nfs/dbraw/zinc/20/48/29/1224204829.db2.gz RRZMYECHGIZEKP-SNVBAGLBSA-N 0 0 172.268 2.130 10 0 AEAERN CC(C)=CCC[C@H](C)OCCO 196620875 1224204979 /nfs/dbraw/zinc/20/49/79/1224204979.db2.gz RRZMYECHGIZEKP-JTQLQIEISA-N 0 0 172.268 2.130 10 0 AEAERN C=CC(=O)N(CCC)CC(C)C 197223007 1224205500 /nfs/dbraw/zinc/20/55/00/1224205500.db2.gz DSYYSNDAPLVLGQ-UHFFFAOYSA-N 0 0 169.268 2.067 10 0 AEAERN CCc1ccccc1CCC(=O)OC 197176479 1224205602 /nfs/dbraw/zinc/20/56/02/1224205602.db2.gz UDNPVVMOCGIFDW-UHFFFAOYSA-N 0 0 192.258 2.355 10 0 AEAERN CC(C)OCc1cncs1 199931762 1224209664 /nfs/dbraw/zinc/20/96/64/1224209664.db2.gz NAFCSICLLOMZDZ-UHFFFAOYSA-N 0 0 157.238 2.068 10 0 AEAERN C=Cc1ccc(C(=O)OC)c(C)c1 200407411 1224210926 /nfs/dbraw/zinc/21/09/26/1224210926.db2.gz BVDGNJPWEKZUJU-UHFFFAOYSA-N 0 0 176.215 2.425 10 0 AEAERN Cc1nc(COC(C)C)cs1 201614844 1224212075 /nfs/dbraw/zinc/21/20/75/1224212075.db2.gz JLDCZMQCWVUVEB-UHFFFAOYSA-N 0 0 171.265 2.377 10 0 AEAERN CC(C)OCc1nccs1 201614984 1224212293 /nfs/dbraw/zinc/21/22/93/1224212293.db2.gz ZSIANKDNZXSHBC-UHFFFAOYSA-N 0 0 157.238 2.068 10 0 AEAERN Cc1ccnc(-c2cnoc2)c1 202766932 1224212789 /nfs/dbraw/zinc/21/27/89/1224212789.db2.gz SGJYBYLOHIVENV-UHFFFAOYSA-N 0 0 160.176 2.045 10 0 AEAERN COc1cc(C)c(F)cc1F 202747066 1224212794 /nfs/dbraw/zinc/21/27/94/1224212794.db2.gz DINJXGCJIWQUHX-UHFFFAOYSA-N 0 0 158.147 2.282 10 0 AEAERN Cc1c(CC(C)(C)C)cnn1C 202750592 1224213355 /nfs/dbraw/zinc/21/33/55/1224213355.db2.gz GQQODZMUKDLZSP-UHFFFAOYSA-N 0 0 166.268 2.317 10 0 AEAERN CCCc1cncc(OC)c1 202617528 1224213634 /nfs/dbraw/zinc/21/36/34/1224213634.db2.gz HKXJZHLONGTJTK-UHFFFAOYSA-N 0 0 151.209 2.043 10 0 AEAERN Cc1nn(C)cc1CC(C)(C)C 202742659 1224213710 /nfs/dbraw/zinc/21/37/10/1224213710.db2.gz AMQIULXXWXPSKH-UHFFFAOYSA-N 0 0 166.268 2.317 10 0 AEAERN C=Cc1ccc2ncn(C)c2c1 202884994 1224214334 /nfs/dbraw/zinc/21/43/34/1224214334.db2.gz JARHKSSQTLICLP-UHFFFAOYSA-N 0 0 158.204 2.216 10 0 AEAERN COc1cccc(O)c1OC1CCC1 213768892 1224215963 /nfs/dbraw/zinc/21/59/63/1224215963.db2.gz VNKUQNCUSMYKFK-UHFFFAOYSA-N 0 0 194.230 2.332 10 0 AEAERN COc1cc(O)ccc1OC1CCC1 213768728 1224216196 /nfs/dbraw/zinc/21/61/96/1224216196.db2.gz PGTQSKSOQKAYIT-UHFFFAOYSA-N 0 0 194.230 2.332 10 0 AEAERN COc1ccc(O)cc1OC1CCC1 213768810 1224217057 /nfs/dbraw/zinc/21/70/57/1224217057.db2.gz BUQZOXVGVOKCKA-UHFFFAOYSA-N 0 0 194.230 2.332 10 0 AEAERN C[C@H](OCCCO)c1ccccc1 219274515 1224220868 /nfs/dbraw/zinc/22/08/68/1224220868.db2.gz XLGBBEGYROHOQR-JTQLQIEISA-N 0 0 180.247 2.147 10 0 AEAERN Cc1cccc(-n2cc(N)cn2)c1C 219288452 1224220895 /nfs/dbraw/zinc/22/08/95/1224220895.db2.gz XZHRIEHSWQWHPC-UHFFFAOYSA-N 0 0 187.246 2.071 10 0 AEAERN COc1cc2ccncc2cc1F 220372659 1224223222 /nfs/dbraw/zinc/22/32/22/1224223222.db2.gz CZBFZKZNECLWTB-UHFFFAOYSA-N 0 0 177.178 2.383 10 0 AEAERN Cc1ccc(OC(=O)NC2CC2)cc1 220448532 1224223344 /nfs/dbraw/zinc/22/33/44/1224223344.db2.gz LCOWPIOWPDDDLG-UHFFFAOYSA-N 0 0 191.230 2.246 10 0 AEAERN CN(C)c1ccc(-c2ccncn2)cc1 220267041 1224223565 /nfs/dbraw/zinc/22/35/65/1224223565.db2.gz IBERSGLAGNDMSP-UHFFFAOYSA-N 0 0 199.257 2.210 10 0 AEAERN CCCNC(=O)Oc1ccc(F)cc1 220611430 1224224637 /nfs/dbraw/zinc/22/46/37/1224224637.db2.gz RUCAEOQEPMEABA-UHFFFAOYSA-N 0 0 197.209 2.324 10 0 AEAERN Cc1cccc(-c2cccnn2)c1 220464337 1224224962 /nfs/dbraw/zinc/22/49/62/1224224962.db2.gz CPOPSTVDSQSCJV-UHFFFAOYSA-N 0 0 170.215 2.452 10 0 AEAERN Oc1ccccc1O[C@@H]1C=CCC1 220560392 1224225037 /nfs/dbraw/zinc/22/50/37/1224225037.db2.gz CBBRGMVKAIOBSC-SECBINFHSA-N 0 0 176.215 2.490 10 0 AEAERN Oc1ccccc1O[C@H]1C=CCC1 220560295 1224225048 /nfs/dbraw/zinc/22/50/48/1224225048.db2.gz CBBRGMVKAIOBSC-VIFPVBQESA-N 0 0 176.215 2.490 10 0 AEAERN CC(=O)[C@@H](C)OC1CCCCC1 220481929 1224225217 /nfs/dbraw/zinc/22/52/17/1224225217.db2.gz NYCJKAAGKBTXHM-SECBINFHSA-N 0 0 170.252 2.313 10 0 AEAERN c1n[nH]cc1CC1CCCC1 220576228 1224225330 /nfs/dbraw/zinc/22/53/30/1224225330.db2.gz XLKFHKVNZABZFO-UHFFFAOYSA-N 0 0 150.225 2.142 10 0 AEAERN CC(=O)[C@H](C)OC1CCCCC1 220481856 1224225563 /nfs/dbraw/zinc/22/55/63/1224225563.db2.gz NYCJKAAGKBTXHM-VIFPVBQESA-N 0 0 170.252 2.313 10 0 AEAERN CCCC(CCC)NCc1ncon1 231781872 1224231986 /nfs/dbraw/zinc/23/19/86/1224231986.db2.gz ZXQOVACVYHHNGV-UHFFFAOYSA-N 0 0 197.282 2.128 10 0 AEAERN CCCCC[C@@H](C)NCc1ncon1 231779782 1224232274 /nfs/dbraw/zinc/23/22/74/1224232274.db2.gz OEXNQZDUNMXZQO-SECBINFHSA-N 0 0 197.282 2.128 10 0 AEAERN CCCC[C@H](CC)NCc1ncon1 231775858 1224232620 /nfs/dbraw/zinc/23/26/20/1224232620.db2.gz CVSMJHYSWNAFNY-VIFPVBQESA-N 0 0 197.282 2.128 10 0 AEAERN CCCC[C@@H](CC)NCc1ncon1 231775856 1224232861 /nfs/dbraw/zinc/23/28/61/1224232861.db2.gz CVSMJHYSWNAFNY-SECBINFHSA-N 0 0 197.282 2.128 10 0 AEAERN CCCCC[C@H](C)NCc1ncon1 231779784 1224232963 /nfs/dbraw/zinc/23/29/63/1224232963.db2.gz OEXNQZDUNMXZQO-VIFPVBQESA-N 0 0 197.282 2.128 10 0 AEAERN CC(C)(Nc1ccc(N)nc1)C1CC1 232536425 1224233278 /nfs/dbraw/zinc/23/32/78/1224233278.db2.gz DHPYEEIVAJMUQE-UHFFFAOYSA-N 0 0 191.278 2.264 10 0 AEAERN CC(C)(C)C(=O)NC(C)(C)C1CC1 232553797 1224233802 /nfs/dbraw/zinc/23/38/02/1224233802.db2.gz IVAAGQFXRLQJLI-UHFFFAOYSA-N 0 0 183.295 2.337 10 0 AEAERN CC(=O)c1cccnc1OC1CCC1 232566614 1224233924 /nfs/dbraw/zinc/23/39/24/1224233924.db2.gz PGCLZRMWHNZMAD-UHFFFAOYSA-N 0 0 191.230 2.216 10 0 AEAERN CC(C)(Nc1cncc(N)c1)C1CC1 232537595 1224234218 /nfs/dbraw/zinc/23/42/18/1224234218.db2.gz GVXYDQXJININDT-UHFFFAOYSA-N 0 0 191.278 2.264 10 0 AEAERN Fc1ccccc1-c1cnoc1 238568828 1224237576 /nfs/dbraw/zinc/23/75/76/1224237576.db2.gz HTPVRBFTMFETBL-UHFFFAOYSA-N 0 0 163.151 2.481 10 0 AEAERN CC(C)OC(=O)NC(C)(C)C1CC1 232683291 1224235017 /nfs/dbraw/zinc/23/50/17/1224235017.db2.gz PTWHMSKWMKBIIW-UHFFFAOYSA-N 0 0 185.267 2.310 10 0 AEAERN CC(C)OC(=O)NCC1(C)CCC1 232684040 1224235058 /nfs/dbraw/zinc/23/50/58/1224235058.db2.gz QHIIBRPZKANBGR-UHFFFAOYSA-N 0 0 185.267 2.311 10 0 AEAERN Cc1ccc(-c2cccnn2)c(N)c1 238559874 1224236469 /nfs/dbraw/zinc/23/64/69/1224236469.db2.gz OBSZMAPJJLRPGX-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Cc1ccc(-c2cccnn2)cc1O 238559941 1224236536 /nfs/dbraw/zinc/23/65/36/1224236536.db2.gz FRJHXRQGDYTKLZ-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN Nc1ccc2[nH]c3cccnc3c2c1 238577955 1224236639 /nfs/dbraw/zinc/23/66/39/1224236639.db2.gz LNBUZSLJXCGGKW-UHFFFAOYSA-N 0 0 183.214 2.298 10 0 AEAERN Cc1cnc(C)c(-c2ccncc2)n1 238556597 1224236684 /nfs/dbraw/zinc/23/66/84/1224236684.db2.gz FWPMYRUORFBMOM-UHFFFAOYSA-N 0 0 185.230 2.155 10 0 AEAERN Nc1cncc(-c2ccc(O)cc2)c1 238581788 1224236970 /nfs/dbraw/zinc/23/69/70/1224236970.db2.gz SLCRNIDLBSGHAC-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Cc1ccc(-c2cccnn2)cc1N 238559916 1224237303 /nfs/dbraw/zinc/23/73/03/1224237303.db2.gz UBTNXHFKYJXBAY-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN Fc1ccc(Nc2cnns2)cc1 238580895 1224237378 /nfs/dbraw/zinc/23/73/78/1224237378.db2.gz CUWLEZXCIMTKIL-UHFFFAOYSA-N 0 0 195.222 2.421 10 0 AEAERN Nc1cncc(-c2ccccc2O)c1 238581965 1224237452 /nfs/dbraw/zinc/23/74/52/1224237452.db2.gz GFEQLULLTKJXKT-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Cc1cnc(F)c(OC2CCC2)c1 238558717 1224237601 /nfs/dbraw/zinc/23/76/01/1224237601.db2.gz IFPGYYBJZIPDNW-UHFFFAOYSA-N 0 0 181.210 2.460 10 0 AEAERN Cc1cc2c(cc1C)N(C)CCN2 82398605 525592371 /nfs/dbraw/zinc/59/23/71/525592371.db2.gz OFGYSGMETRUHPP-UHFFFAOYSA-N 0 0 176.263 2.165 10 0 AEAERN Nc1ccc(-c2cccc(F)n2)cc1 238604056 1224237960 /nfs/dbraw/zinc/23/79/60/1224237960.db2.gz ILDHGPVGNVLZHO-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Fc1ccc(-c2cnoc2)cc1 238606210 1224238024 /nfs/dbraw/zinc/23/80/24/1224238024.db2.gz OPTYGDRLONAXLE-UHFFFAOYSA-N 0 0 163.151 2.481 10 0 AEAERN Nc1ccc(-c2cc(F)ccn2)cc1 238602706 1224238035 /nfs/dbraw/zinc/23/80/35/1224238035.db2.gz AAGYWILPCQDXDH-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Cc1cc2c(cc1C)N(C)CCC2=O 71482355 525592744 /nfs/dbraw/zinc/59/27/44/525592744.db2.gz IOFMHQONDDEYGW-UHFFFAOYSA-N 0 0 189.258 2.326 10 0 AEAERN Fc1ncccc1OC1CCC1 238602547 1224238063 /nfs/dbraw/zinc/23/80/63/1224238063.db2.gz MUTFAWKSAZXSJF-UHFFFAOYSA-N 0 0 167.183 2.152 10 0 AEAERN Cc1cc2c(cc1C)N(C)CCO2 62519653 525592800 /nfs/dbraw/zinc/59/28/00/525592800.db2.gz LIYIMMHAAOTLAR-UHFFFAOYSA-N 0 0 177.247 2.132 10 0 AEAERN Nc1ccc(-c2ccc(F)nc2)cc1 238603312 1224238185 /nfs/dbraw/zinc/23/81/85/1224238185.db2.gz QBCQOWBCPSPKFV-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN CCCCOC(=O)Nc1cc(C)on1 242605159 1224238949 /nfs/dbraw/zinc/23/89/49/1224238949.db2.gz CKTOTNKDBBPJMB-UHFFFAOYSA-N 0 0 198.222 2.332 10 0 AEAERN OCc1cc(-c2cccnc2)cs1 247794080 1224239753 /nfs/dbraw/zinc/23/97/53/1224239753.db2.gz BNNZGSVYTXEYCL-UHFFFAOYSA-N 0 0 191.255 2.302 10 0 AEAERN CCCOC(=O)Nc1cncc(F)c1 306220596 1224248485 /nfs/dbraw/zinc/24/84/85/1224248485.db2.gz SBFIVPZLCOFGKC-UHFFFAOYSA-N 0 0 198.197 2.179 10 0 AEAERN Nc1ccc(-c2ccccc2O)nc1 257810672 1224242041 /nfs/dbraw/zinc/24/20/41/1224242041.db2.gz AOKFIXBVMVMKCC-UHFFFAOYSA-N 0 0 186.214 2.036 10 0 AEAERN Cc1ncncc1-c1ccc(N)cc1 257908729 1224242361 /nfs/dbraw/zinc/24/23/61/1224242361.db2.gz QAJMBCQSIPPWFN-UHFFFAOYSA-N 0 0 185.230 2.034 10 0 AEAERN CCc1ccnc(-c2ccc(N)cc2)n1 257859487 1224242512 /nfs/dbraw/zinc/24/25/12/1224242512.db2.gz OITFBMIYERLMFS-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN Cc1cnc(COC(C)C)s1 257887687 1224242575 /nfs/dbraw/zinc/24/25/75/1224242575.db2.gz LNKCXYGZLPUSJZ-UHFFFAOYSA-N 0 0 171.265 2.377 10 0 AEAERN Cc1ncncc1-c1ccccc1O 257906155 1224242680 /nfs/dbraw/zinc/24/26/80/1224242680.db2.gz PSSSEQLMDKSZBZ-UHFFFAOYSA-N 0 0 186.214 2.158 10 0 AEAERN C[C@@H]1C[C@@H]1c1nnc(C2CC2)o1 306167339 1224244248 /nfs/dbraw/zinc/24/42/48/1224244248.db2.gz PUWNGELCLRITAB-VDTYLAMSSA-N 0 0 164.208 2.070 10 0 AEAERN C[C@H]1C[C@@H]1c1nnc(C2CC2)o1 306167337 1224244568 /nfs/dbraw/zinc/24/45/68/1224244568.db2.gz PUWNGELCLRITAB-FSPLSTOPSA-N 0 0 164.208 2.070 10 0 AEAERN C[C@@H]1C[C@H]1c1nnc(C2CC2)o1 306167338 1224244708 /nfs/dbraw/zinc/24/47/08/1224244708.db2.gz PUWNGELCLRITAB-IYSWYEEDSA-N 0 0 164.208 2.070 10 0 AEAERN C[C@H]1C[C@H]1c1nnc(C2CC2)o1 306167336 1224244881 /nfs/dbraw/zinc/24/48/81/1224244881.db2.gz PUWNGELCLRITAB-CAHLUQPWSA-N 0 0 164.208 2.070 10 0 AEAERN Cc1cc2c(cc1Cl)OCCN2C 62522262 525605197 /nfs/dbraw/zinc/60/51/97/525605197.db2.gz RNOYFZRZKQALNA-UHFFFAOYSA-N 0 0 197.665 2.477 10 0 AEAERN C=Cc1cc(F)cc(C(=O)OC)c1 306286163 1224251907 /nfs/dbraw/zinc/25/19/07/1224251907.db2.gz DFXMLUULYKQTHK-UHFFFAOYSA-N 0 0 180.178 2.255 10 0 AEAERN CCCCNc1cc2nccc-2[n-][nH+]1 306291093 1224252326 /nfs/dbraw/zinc/25/23/26/1224252326.db2.gz SANDMGIGHOKPQE-UHFFFAOYSA-N 0 0 190.250 2.170 10 0 AEAERN C=Cc1cc(F)cc(OC)c1 306313393 1224253668 /nfs/dbraw/zinc/25/36/68/1224253668.db2.gz XFZVBVHKFZIREZ-UHFFFAOYSA-N 0 0 152.168 2.477 10 0 AEAERN C1=C[C@H](OCc2ncc[nH]2)CCC1 306330044 1224254685 /nfs/dbraw/zinc/25/46/85/1224254685.db2.gz BZLDKXZMDWZORT-VIFPVBQESA-N 0 0 178.235 2.035 10 0 AEAERN Cc1nnc([C@@H]2[C@H]3CCCC[C@H]32)o1 306328207 1224254925 /nfs/dbraw/zinc/25/49/25/1224254925.db2.gz YGHOKSYXOZROAR-BRPSZJMVSA-N 0 0 178.235 2.282 10 0 AEAERN C1=C[C@@H](OCc2ncc[nH]2)CCC1 306330040 1224255082 /nfs/dbraw/zinc/25/50/82/1224255082.db2.gz BZLDKXZMDWZORT-SECBINFHSA-N 0 0 178.235 2.035 10 0 AEAERN FC(F)c1nnc(C2CCC2)o1 306352574 1224256832 /nfs/dbraw/zinc/25/68/32/1224256832.db2.gz ZJZJBTPFIXFMLD-UHFFFAOYSA-N 0 0 174.150 2.275 10 0 AEAERN C[C@H]1C[C@@H]1c1nnc(C2CCC2)o1 306433829 1224258013 /nfs/dbraw/zinc/25/80/13/1224258013.db2.gz YANPNQVVAOHCIY-XPUUQOCRSA-N 0 0 178.235 2.461 10 0 AEAERN Cc1cc2c(cc1O)CCCN2C 75567796 525612216 /nfs/dbraw/zinc/61/22/16/525612216.db2.gz IYTSMYIVUAXSEK-UHFFFAOYSA-N 0 0 177.247 2.083 10 0 AEAERN C[C@H]1C[C@H]1c1nnc(C2CCC2)o1 306433827 1224258189 /nfs/dbraw/zinc/25/81/89/1224258189.db2.gz YANPNQVVAOHCIY-POYBYMJQSA-N 0 0 178.235 2.461 10 0 AEAERN C[C@@H]1C[C@@H]1c1nnc(C2CCC2)o1 306433828 1224258429 /nfs/dbraw/zinc/25/84/29/1224258429.db2.gz YANPNQVVAOHCIY-SVRRBLITSA-N 0 0 178.235 2.461 10 0 AEAERN CCCCNc1cc(F)ccn1 306426501 1224258696 /nfs/dbraw/zinc/25/86/96/1224258696.db2.gz KEVULXPWYWAIEE-UHFFFAOYSA-N 0 0 168.215 2.433 10 0 AEAERN C[C@@H]1C[C@H]1c1nnc(C2CCC2)o1 306433826 1224258716 /nfs/dbraw/zinc/25/87/16/1224258716.db2.gz YANPNQVVAOHCIY-HTRCEHHLSA-N 0 0 178.235 2.461 10 0 AEAERN OCCO[C@@H]1CC[C@@H]2CCCC[C@H]2C1 306443119 1224259067 /nfs/dbraw/zinc/25/90/67/1224259067.db2.gz LWNZGGWMRJGPLM-SDDRHHMPSA-N 0 0 198.306 2.354 10 0 AEAERN OCCO[C@@H]1CC[C@H]2CCCC[C@@H]2C1 306443117 1224259758 /nfs/dbraw/zinc/25/97/58/1224259758.db2.gz LWNZGGWMRJGPLM-IJLUTSLNSA-N 0 0 198.306 2.354 10 0 AEAERN OCCO[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 306443118 1224260136 /nfs/dbraw/zinc/26/01/36/1224260136.db2.gz LWNZGGWMRJGPLM-QJPTWQEYSA-N 0 0 198.306 2.354 10 0 AEAERN OCCO[C@@H]1CC[C@H]2CCCC[C@H]2C1 306443116 1224260204 /nfs/dbraw/zinc/26/02/04/1224260204.db2.gz LWNZGGWMRJGPLM-GRYCIOLGSA-N 0 0 198.306 2.354 10 0 AEAERN CC(C)Cc1nnc([C@@H]2C[C@@H]2C)o1 306474830 1224261516 /nfs/dbraw/zinc/26/15/16/1224261516.db2.gz WSCQLLSXZRVSNW-JGVFFNPUSA-N 0 0 180.251 2.392 10 0 AEAERN CC(C)Cc1nnc([C@@H]2C[C@H]2C)o1 306474829 1224261567 /nfs/dbraw/zinc/26/15/67/1224261567.db2.gz WSCQLLSXZRVSNW-HTQZYQBOSA-N 0 0 180.251 2.392 10 0 AEAERN CC(C)Cc1nnc([C@H]2C[C@H]2C)o1 306474831 1224261792 /nfs/dbraw/zinc/26/17/92/1224261792.db2.gz WSCQLLSXZRVSNW-SFYZADRCSA-N 0 0 180.251 2.392 10 0 AEAERN CC(C)Cc1nnc([C@H]2C[C@@H]2C)o1 306474832 1224261918 /nfs/dbraw/zinc/26/19/18/1224261918.db2.gz WSCQLLSXZRVSNW-YUMQZZPRSA-N 0 0 180.251 2.392 10 0 AEAERN FC(F)CNc1cc2cc[nH]c2cn1 306525873 1224263506 /nfs/dbraw/zinc/26/35/06/1224263506.db2.gz RTACWGNVWMHLEN-UHFFFAOYSA-N 0 0 197.188 2.240 10 0 AEAERN Cc1cccc(C2=CCOCC2)n1 306519598 1224263570 /nfs/dbraw/zinc/26/35/70/1224263570.db2.gz DCKUXIFUBPTLNE-UHFFFAOYSA-N 0 0 175.231 2.194 10 0 AEAERN CC1CC(N(C)Cc2cscn2)C1 306535887 1224265743 /nfs/dbraw/zinc/26/57/43/1224265743.db2.gz JYCMZPBRAJRYPC-UHFFFAOYSA-N 0 0 196.319 2.373 10 0 AEAERN CN(CC(F)F)C1CCSCC1 306570104 1224266892 /nfs/dbraw/zinc/26/68/92/1224266892.db2.gz MHOUFZJFQURDPO-UHFFFAOYSA-N 0 0 195.278 2.079 10 0 AEAERN COc1cc(-c2nccs2)ccn1 306648403 1224270634 /nfs/dbraw/zinc/27/06/34/1224270634.db2.gz CGYRUHVAEHMSCE-UHFFFAOYSA-N 0 0 192.243 2.214 10 0 AEAERN Nc1cc(Cl)ccc1/C=C/[N+](=O)[O-] 306658765 1224271150 /nfs/dbraw/zinc/27/11/50/1224271150.db2.gz AAZRTORHOQAZBE-ONEGZZNKSA-N 0 0 198.609 2.170 10 0 AEAERN Cc1ccc(O)cc1-c1cnn(C)c1 306659764 1224271409 /nfs/dbraw/zinc/27/14/09/1224271409.db2.gz LXEZNXCVTLOAQK-UHFFFAOYSA-N 0 0 188.230 2.101 10 0 AEAERN C=Cc1ccc2nsnc2c1 306761521 1224272754 /nfs/dbraw/zinc/27/27/54/1224272754.db2.gz FYXZAFSFMCVRLT-UHFFFAOYSA-N 0 0 162.217 2.334 10 0 AEAERN c1nc(CN2CCC[C@H]3C[C@H]32)cs1 306801803 1224273667 /nfs/dbraw/zinc/27/36/67/1224273667.db2.gz RXXDZQCDVXCPHS-WCBMZHEXSA-N 0 0 194.303 2.127 10 0 AEAERN CCNC(=O)Cc1cc(C)sc1C 306928311 1224274083 /nfs/dbraw/zinc/27/40/83/1224274083.db2.gz XTCYTWCMKFSVHA-UHFFFAOYSA-N 0 0 197.303 2.044 10 0 AEAERN Nc1ccc(-c2ccccc2)c(F)n1 307109666 1224276493 /nfs/dbraw/zinc/27/64/93/1224276493.db2.gz NBIBXFAFXLLGAC-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN Cn1ccc(NCCC2CCC2)n1 307124565 1224277239 /nfs/dbraw/zinc/27/72/39/1224277239.db2.gz RQVKABYQIXQLCV-UHFFFAOYSA-N 0 0 179.267 2.022 10 0 AEAERN Cc1nnc(-c2cccc(O)c2C)o1 307121192 1224277464 /nfs/dbraw/zinc/27/74/64/1224277464.db2.gz KKTHFQCYRVKKGW-UHFFFAOYSA-N 0 0 190.202 2.059 10 0 AEAERN CC(C)c1nnc([C@@H]2C[C@H]2C)o1 307145301 1224277951 /nfs/dbraw/zinc/27/79/51/1224277951.db2.gz MKQDCNNGGFZJKU-RNFRBKRXSA-N 0 0 166.224 2.316 10 0 AEAERN Cc1ccc(O)cc1-c1ccn(C)n1 307144556 1224277992 /nfs/dbraw/zinc/27/79/92/1224277992.db2.gz LZEAGQXZQXOALX-UHFFFAOYSA-N 0 0 188.230 2.101 10 0 AEAERN CC(C)c1nnc([C@H]2C[C@@H]2C)o1 307145298 1224278010 /nfs/dbraw/zinc/27/80/10/1224278010.db2.gz MKQDCNNGGFZJKU-BQBZGAKWSA-N 0 0 166.224 2.316 10 0 AEAERN CC(C)c1nnc([C@H]2C[C@H]2C)o1 307145303 1224278269 /nfs/dbraw/zinc/27/82/69/1224278269.db2.gz MKQDCNNGGFZJKU-RQJHMYQMSA-N 0 0 166.224 2.316 10 0 AEAERN CC(C)c1nnc([C@@H]2C[C@@H]2C)o1 307145300 1224278385 /nfs/dbraw/zinc/27/83/85/1224278385.db2.gz MKQDCNNGGFZJKU-NKWVEPMBSA-N 0 0 166.224 2.316 10 0 AEAERN FC(F)(F)Cc1ccoc1 307180972 1224279480 /nfs/dbraw/zinc/27/94/80/1224279480.db2.gz PZXVTWCUGFVCQC-UHFFFAOYSA-N 0 0 150.099 2.384 10 0 AEAERN Cc1nnc(-c2cccc(F)c2C)o1 307181040 1224279745 /nfs/dbraw/zinc/27/97/45/1224279745.db2.gz QPHMVNJCWPBKOC-UHFFFAOYSA-N 0 0 192.193 2.493 10 0 AEAERN c1cc(CN2CCCCO2)cs1 307267452 1224281078 /nfs/dbraw/zinc/28/10/78/1224281078.db2.gz FBJGUQSSCAEXSN-UHFFFAOYSA-N 0 0 183.276 2.276 10 0 AEAERN C=Cc1ccc2oc(=O)ccc2c1 307308569 1224282227 /nfs/dbraw/zinc/28/22/27/1224282227.db2.gz WOUKNYSBIXTIQZ-UHFFFAOYSA-N 0 0 172.183 2.436 10 0 AEAERN Fc1ccc(-c2cccnc2F)nc1 307308361 1224282329 /nfs/dbraw/zinc/28/23/29/1224282329.db2.gz ACZFBTBQRUHIFO-UHFFFAOYSA-N 0 0 192.168 2.422 10 0 AEAERN CCc1nnc([C@@H]2CC=CCC2)o1 307516243 1224285365 /nfs/dbraw/zinc/28/53/65/1224285365.db2.gz HPDUHRBZUCDLHS-MRVPVSSYSA-N 0 0 178.235 2.456 10 0 AEAERN C[C@H]1CCC[C@@H](N2CC(F)C2)C1 307514998 1224285500 /nfs/dbraw/zinc/28/55/00/1224285500.db2.gz GOSSALBNAWEGRO-WCBMZHEXSA-N 0 0 171.259 2.219 10 0 AEAERN CC1(C)C[C@H]1c1nnc(C2CC2)o1 307514023 1224285532 /nfs/dbraw/zinc/28/55/32/1224285532.db2.gz GARHCDJEJPSYHE-ZETCQYMHSA-N 0 0 178.235 2.461 10 0 AEAERN CCc1nnc([C@H]2CC=CCC2)o1 307516244 1224285609 /nfs/dbraw/zinc/28/56/09/1224285609.db2.gz HPDUHRBZUCDLHS-QMMMGPOBSA-N 0 0 178.235 2.456 10 0 AEAERN Nc1ccccc1-c1ccnc(F)c1 307515202 1224285693 /nfs/dbraw/zinc/28/56/93/1224285693.db2.gz DYCYXXRRWOVZJP-UHFFFAOYSA-N 0 0 188.205 2.470 10 0 AEAERN C[C@@H]1CCC[C@@H](N2CC(F)C2)C1 307514996 1224285713 /nfs/dbraw/zinc/28/57/13/1224285713.db2.gz GOSSALBNAWEGRO-PSASIEDQSA-N 0 0 171.259 2.219 10 0 AEAERN C[C@H]1CCC[C@H](N2CC(F)C2)C1 307514999 1224285898 /nfs/dbraw/zinc/28/58/98/1224285898.db2.gz GOSSALBNAWEGRO-WPRPVWTQSA-N 0 0 171.259 2.219 10 0 AEAERN C[C@@H]1CCC[C@H](N2CC(F)C2)C1 307514997 1224286300 /nfs/dbraw/zinc/28/63/00/1224286300.db2.gz GOSSALBNAWEGRO-SCZZXKLOSA-N 0 0 171.259 2.219 10 0 AEAERN C[C@@H]1C[C@H]1c1nnc(CC2CC2)o1 307560382 1224287567 /nfs/dbraw/zinc/28/75/67/1224287567.db2.gz XRNUSINMMHQSFF-HTRCEHHLSA-N 0 0 178.235 2.146 10 0 AEAERN C[C@H]1C[C@@H]1c1nnc(CC2CC2)o1 307560385 1224287840 /nfs/dbraw/zinc/28/78/40/1224287840.db2.gz XRNUSINMMHQSFF-XPUUQOCRSA-N 0 0 178.235 2.146 10 0 AEAERN CCCOC(=O)Nc1ccncc1C 307557784 1224287856 /nfs/dbraw/zinc/28/78/56/1224287856.db2.gz CBYNYHDDYYSBFO-UHFFFAOYSA-N 0 0 194.234 2.349 10 0 AEAERN C[C@@H]1C[C@@H]1c1nnc(CC2CC2)o1 307560384 1224288065 /nfs/dbraw/zinc/28/80/65/1224288065.db2.gz XRNUSINMMHQSFF-SVRRBLITSA-N 0 0 178.235 2.146 10 0 AEAERN C[C@H]1C[C@H]1c1nnc(CC2CC2)o1 307560383 1224288187 /nfs/dbraw/zinc/28/81/87/1224288187.db2.gz XRNUSINMMHQSFF-POYBYMJQSA-N 0 0 178.235 2.146 10 0 AEAERN FC(F)(F)c1nnc(C2CCC2)o1 307613781 1224288605 /nfs/dbraw/zinc/28/86/05/1224288605.db2.gz KEUUZJLZZSYNMJ-UHFFFAOYSA-N 0 0 192.140 2.356 10 0 AEAERN COc1ccc(-c2cscn2)nc1 307611975 1224288722 /nfs/dbraw/zinc/28/87/22/1224288722.db2.gz HOMDVUGINADCDZ-UHFFFAOYSA-N 0 0 192.243 2.214 10 0 AEAERN CCCc1nnc(-c2cc[nH]c2)o1 307618207 1224288977 /nfs/dbraw/zinc/28/89/77/1224288977.db2.gz YMPKDSUQFAXDAT-UHFFFAOYSA-N 0 0 177.207 2.017 10 0 AEAERN C=Cc1ccc(OC(F)F)cn1 307613835 1224289253 /nfs/dbraw/zinc/28/92/53/1224289253.db2.gz NGCWDJSMXJSUCT-UHFFFAOYSA-N 0 0 171.146 2.326 10 0 AEAERN CCc1cc(-c2cncc(N)c2)ccn1 307800133 1224291225 /nfs/dbraw/zinc/29/12/25/1224291225.db2.gz VPMPUGKJRHMBCR-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN CC(=O)CSC/C=C\Cl 307800286 1224291311 /nfs/dbraw/zinc/29/13/11/1224291311.db2.gz GVGMECZSDLLOOC-IHWYPQMZSA-N 0 0 164.657 2.061 10 0 AEAERN CCc1cc(-c2cccnc2N)ccn1 307775038 1224291394 /nfs/dbraw/zinc/29/13/94/1224291394.db2.gz FUZDSRNJWBPURQ-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN CCc1cc(-c2ccnc(N)c2)ccn1 307800142 1224291729 /nfs/dbraw/zinc/29/17/29/1224291729.db2.gz VRESPFXOXMFKBU-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN Cl/C=C(\Cl)CN1CCCC1 307770574 1224291846 /nfs/dbraw/zinc/29/18/46/1224291846.db2.gz BVTBFTUKRVEFMV-ALCCZGGFSA-N 0 0 180.078 2.401 10 0 AEAERN C/C=C(/CC)C(=O)NC1(C)CC1 308011169 1224293196 /nfs/dbraw/zinc/29/31/96/1224293196.db2.gz GBBSQQFONMBMEE-YWEYNIOJSA-N 0 0 167.252 2.011 10 0 AEAERN CCN(C(=O)OCC(C)C)C1CC1 308503016 1224300470 /nfs/dbraw/zinc/30/04/70/1224300470.db2.gz XVRVGOGVIVOSST-UHFFFAOYSA-N 0 0 185.267 2.263 10 0 AEAERN CCSC[C@H](C)[N@H+](C)CCF 378933622 1224305243 /nfs/dbraw/zinc/30/52/43/1224305243.db2.gz YGGLYNPLNPSKGV-QMMMGPOBSA-N 0 0 179.304 2.029 10 0 AEAERN CCSC[C@@H](C)[N@H+](C)CCF 378933621 1224305611 /nfs/dbraw/zinc/30/56/11/1224305611.db2.gz YGGLYNPLNPSKGV-MRVPVSSYSA-N 0 0 179.304 2.029 10 0 AEAERN CCC[C@@H](C)Oc1ccc(N)nc1 378927263 1224305685 /nfs/dbraw/zinc/30/56/85/1224305685.db2.gz UTDQDUGRUHUSBP-MRVPVSSYSA-N 0 0 180.251 2.062 10 0 AEAERN CCC[C@H](C)Oc1ccc(N)nc1 378927264 1224305961 /nfs/dbraw/zinc/30/59/61/1224305961.db2.gz UTDQDUGRUHUSBP-QMMMGPOBSA-N 0 0 180.251 2.062 10 0 AEAERN CCCc1nnc(CC2CCC2)o1 379375761 1224309759 /nfs/dbraw/zinc/30/97/59/1224309759.db2.gz QLHFXQITVWZHGG-UHFFFAOYSA-N 0 0 180.251 2.365 10 0 AEAERN Cc1cc(-c2ccnc(N)c2)cnc1C 379819013 1224317622 /nfs/dbraw/zinc/31/76/22/1224317622.db2.gz SQJMUCXDSKPNMI-UHFFFAOYSA-N 0 0 199.257 2.173 10 0 AEAERN CCOC(=O)Cc1cc(C)sc1C 379391773 1224311812 /nfs/dbraw/zinc/31/18/12/1224311812.db2.gz QKQDSPORKNOZKM-UHFFFAOYSA-N 0 0 198.287 2.471 10 0 AEAERN CCC(CC)[N@H+](C)Cc1cocn1 379417137 1224315222 /nfs/dbraw/zinc/31/52/22/1224315222.db2.gz TXBMONRKGDWMON-UHFFFAOYSA-N 0 0 182.267 2.295 10 0 AEAERN CCCC[N@H+](CC)Cc1cnoc1 379418316 1224315454 /nfs/dbraw/zinc/31/54/54/1224315454.db2.gz VVTRNZJURVWXBQ-UHFFFAOYSA-N 0 0 182.267 2.297 10 0 AEAERN Cc1cc(-c2cccnc2N)cc(C)n1 379775022 1224317733 /nfs/dbraw/zinc/31/77/33/1224317733.db2.gz JIVPDVPIULIFQB-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN CCc1ccccc1-c1cnc(N)cn1 379774019 1224317935 /nfs/dbraw/zinc/31/79/35/1224317935.db2.gz BYHLPEVRUDINIA-UHFFFAOYSA-N 0 0 199.257 2.288 10 0 AEAERN Cc1cc(-c2ccc(N)cn2)cc(C)n1 379892537 1224318267 /nfs/dbraw/zinc/31/82/67/1224318267.db2.gz FRTIHFJRJSPLBW-UHFFFAOYSA-N 0 0 199.257 2.343 10 0 AEAERN C/C=C(\C)C(=O)N[C@@H](C)C(C)C 388383099 1224325166 /nfs/dbraw/zinc/32/51/66/1224325166.db2.gz UTHAKQMOUOMVNJ-ORZBULNSSA-N 0 0 169.268 2.113 10 0 AEAERN C/C=C(\C)C(=O)N[C@H](C)C(C)C 388383098 1224325669 /nfs/dbraw/zinc/32/56/69/1224325669.db2.gz UTHAKQMOUOMVNJ-BNICOGTQSA-N 0 0 169.268 2.113 10 0 AEAERN C[C@H](Nc1cnccn1)C1CCCC1 69805401 525677560 /nfs/dbraw/zinc/67/75/60/525677560.db2.gz ONLZMNIZAPIZKG-VIFPVBQESA-N 0 0 191.278 2.467 10 0 AEAERN CC(C)/C=C/C(=O)N[C@@H](C)C(C)C 388705600 1224327441 /nfs/dbraw/zinc/32/74/41/1224327441.db2.gz OIJIPICPIXLNPO-FGEFZZPRSA-N 0 0 183.295 2.359 10 0 AEAERN CC(C)/C=C/C(=O)N[C@H](C)C(C)C 388705603 1224327573 /nfs/dbraw/zinc/32/75/73/1224327573.db2.gz OIJIPICPIXLNPO-VQCYPWCPSA-N 0 0 183.295 2.359 10 0 AEAERN C/C=C/C=C/C(=O)N[C@H](C)C(C)C 388910437 1224329726 /nfs/dbraw/zinc/32/97/26/1224329726.db2.gz PFHQPFIVEHUJKN-YEHZPGOWSA-N 0 0 181.279 2.279 10 0 AEAERN CC(C)COC(=O)N(C)CC1CC1 388906678 1224329987 /nfs/dbraw/zinc/32/99/87/1224329987.db2.gz OITVGKOONDKUHB-UHFFFAOYSA-N 0 0 185.267 2.121 10 0 AEAERN C/C=C/C=C/C(=O)N[C@@H](C)C(C)C 388910435 1224330259 /nfs/dbraw/zinc/33/02/59/1224330259.db2.gz PFHQPFIVEHUJKN-DOYBTKHBSA-N 0 0 181.279 2.279 10 0 AEAERN C1CC(Oc2nnc(C3CC3)s2)C1 585650482 1224344981 /nfs/dbraw/zinc/34/49/81/1224344981.db2.gz ACJDLQPNGHBBBP-UHFFFAOYSA-N 0 0 196.275 2.347 10 0 AEAERN c1csc(OC2CCC2)n1 585650771 1224344921 /nfs/dbraw/zinc/34/49/21/1224344921.db2.gz DXCFGNHVHUOBGI-UHFFFAOYSA-N 0 0 155.222 2.074 10 0 AEAERN Clc1cnc(OC2CCC2)nc1 585650663 1224345213 /nfs/dbraw/zinc/34/52/13/1224345213.db2.gz DBXPZTBINHGUSI-UHFFFAOYSA-N 0 0 184.626 2.061 10 0 AEAERN Cc1ccnc(N[C@@]2(C)CC2(C)C)n1 606264803 1224347562 /nfs/dbraw/zinc/34/75/62/1224347562.db2.gz LLDDKAFIPCIWIL-NSHDSACASA-N 0 0 191.278 2.386 10 0 AEAERN CC1(C)C[C@@]1(C)CNc1cnccn1 606264748 1224347085 /nfs/dbraw/zinc/34/70/85/1224347085.db2.gz GTKNHCSYYIIDJJ-NSHDSACASA-N 0 0 191.278 2.325 10 0 AEAERN Cc1ccc(N[C@@H](C)C2(C)CC2)nn1 606264787 1224347148 /nfs/dbraw/zinc/34/71/48/1224347148.db2.gz KLNSUAIDBVIHPO-VIFPVBQESA-N 0 0 191.278 2.386 10 0 AEAERN Cc1cnnc(N[C@@H](C)C2(C)CC2)c1 606264978 1224347158 /nfs/dbraw/zinc/34/71/58/1224347158.db2.gz YBTPBINXUDNUAZ-VIFPVBQESA-N 0 0 191.278 2.386 10 0 AEAERN Cc1ccnc(N[C@]2(C)CC2(C)C)n1 606264802 1224347170 /nfs/dbraw/zinc/34/71/70/1224347170.db2.gz LLDDKAFIPCIWIL-LLVKDONJSA-N 0 0 191.278 2.386 10 0 AEAERN CC1(C)C[C@]1(C)CNc1cnccn1 606264746 1224347357 /nfs/dbraw/zinc/34/73/57/1224347357.db2.gz GTKNHCSYYIIDJJ-LLVKDONJSA-N 0 0 191.278 2.325 10 0 AEAERN Cc1cc(N[C@@H](C)C2(C)CC2)ncn1 606264950 1224347381 /nfs/dbraw/zinc/34/73/81/1224347381.db2.gz VCMLYGYSLCDOSC-VIFPVBQESA-N 0 0 191.278 2.386 10 0 AEAERN Cc1ccnc(N[C@H](C)C2(C)CC2)n1 606264818 1224347415 /nfs/dbraw/zinc/34/74/15/1224347415.db2.gz NNTDCHUVSGOONY-SECBINFHSA-N 0 0 191.278 2.386 10 0 AEAERN Cc1cc(N[C@H](C)C2(C)CC2)ncn1 606264949 1224347425 /nfs/dbraw/zinc/34/74/25/1224347425.db2.gz VCMLYGYSLCDOSC-SECBINFHSA-N 0 0 191.278 2.386 10 0 AEAERN Cc1ccc(N[C@H](C)C2(C)CC2)nn1 606264786 1224347503 /nfs/dbraw/zinc/34/75/03/1224347503.db2.gz KLNSUAIDBVIHPO-SECBINFHSA-N 0 0 191.278 2.386 10 0 AEAERN Cc1cnc(N[C@H](C)C2(C)CC2)nc1 606264809 1224347572 /nfs/dbraw/zinc/34/75/72/1224347572.db2.gz MKRINTMWKANLPU-SECBINFHSA-N 0 0 191.278 2.386 10 0 AEAERN Cc1cnc(N[C@@H](C)C2(C)CC2)nc1 606264810 1224347709 /nfs/dbraw/zinc/34/77/09/1224347709.db2.gz MKRINTMWKANLPU-VIFPVBQESA-N 0 0 191.278 2.386 10 0 AEAERN c1cncc(NC[C@@H]2CCCCO2)c1 606265776 1224347848 /nfs/dbraw/zinc/34/78/48/1224347848.db2.gz VSBAYSAFWYYHTG-NSHDSACASA-N 0 0 192.262 2.063 10 0 AEAERN Cc1nccc(N[C@@H](C)C2(C)CC2)n1 606264946 1224347875 /nfs/dbraw/zinc/34/78/75/1224347875.db2.gz UXGIDZJJIMNMPL-QMMMGPOBSA-N 0 0 191.278 2.386 10 0 AEAERN Cc1ccnc(N[C@@H](C)C2(C)CC2)n1 606264819 1224348102 /nfs/dbraw/zinc/34/81/02/1224348102.db2.gz NNTDCHUVSGOONY-VIFPVBQESA-N 0 0 191.278 2.386 10 0 AEAERN c1cncc(NC[C@H]2CCCCO2)c1 606265775 1224348205 /nfs/dbraw/zinc/34/82/05/1224348205.db2.gz VSBAYSAFWYYHTG-LLVKDONJSA-N 0 0 192.262 2.063 10 0 AEAERN Cc1cnnc(N[C@H](C)C2(C)CC2)c1 606264977 1224348257 /nfs/dbraw/zinc/34/82/57/1224348257.db2.gz YBTPBINXUDNUAZ-SECBINFHSA-N 0 0 191.278 2.386 10 0 AEAERN Cc1nccc(N[C@H](C)C2(C)CC2)n1 606264945 1224348300 /nfs/dbraw/zinc/34/83/00/1224348300.db2.gz UXGIDZJJIMNMPL-MRVPVSSYSA-N 0 0 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