smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC(C#N)(CCC)CCC ZINC000001587699 527969670 /nfs/dbraw/zinc/96/96/70/527969670.db2.gz AWAHTDIOUIVENZ-UHFFFAOYSA-N 0 0 167.296 3.897 10 30 AHEERN CC#Cc1ccc(-c2ccccc2)s1 ZINC000001610035 171214861 /nfs/dbraw/zinc/21/48/61/171214861.db2.gz IIXLKPCNWKUVMO-UHFFFAOYSA-N 0 0 198.290 3.787 10 30 AHEERN C=CCOc1cccc(C(C)(C)C)c1 ZINC000001688472 342958763 /nfs/dbraw/zinc/95/87/63/342958763.db2.gz USNFROAPFWYGOC-UHFFFAOYSA-N 0 0 190.286 3.549 10 30 AHEERN C=COCCCCCCCC ZINC000001845534 166212120 /nfs/dbraw/zinc/21/21/20/166212120.db2.gz XXCVIFJHBFNFBO-UHFFFAOYSA-N 0 0 156.269 3.507 10 30 AHEERN C=CC(C)(C)/C=C/c1ccc(O)cc1 ZINC000001863667 166161999 /nfs/dbraw/zinc/16/19/99/166161999.db2.gz DKVQOAMBVKKPAM-MDZDMXLPSA-N 0 0 188.270 3.618 10 30 AHEERN CCCCCCCc1ccccn1 ZINC000001996011 342965896 /nfs/dbraw/zinc/96/58/96/342965896.db2.gz DYCPESWJKDONHC-UHFFFAOYSA-N 0 0 177.291 3.595 10 30 AHEERN C=C[C@@](C)(O)CC/C=C(\C)CC(C)C ZINC000002002504 171207953 /nfs/dbraw/zinc/20/79/53/171207953.db2.gz XVNDKDXSDQQJTO-YQCJOKCJSA-N 0 0 196.334 3.696 10 30 AHEERN C=C[C@](C)(O)CC/C=C(\C)CC(C)C ZINC000002002506 166222052 /nfs/dbraw/zinc/22/20/52/166222052.db2.gz XVNDKDXSDQQJTO-RPHSKFLZSA-N 0 0 196.334 3.696 10 30 AHEERN CCCCCCCC[C@H](C)C=O ZINC000002016892 342966867 /nfs/dbraw/zinc/96/68/67/342966867.db2.gz LBICMZLDYMBIGA-NSHDSACASA-N 0 0 170.296 3.572 10 30 AHEERN CCCCCCCCSC(C)=O ZINC000002390170 166851725 /nfs/dbraw/zinc/85/17/25/166851725.db2.gz NQMNVUDCUZKJRL-UHFFFAOYSA-N 0 0 188.336 3.627 10 30 in-vitro AHEERN C=C(C)CCC[C@@H](C)C[C@H](O)CC ZINC000002509967 166117659 /nfs/dbraw/zinc/11/76/59/166117659.db2.gz CNGGPKWJEPGPQH-VXGBXAGGSA-N 0 0 184.323 3.530 10 30 AHEERN C=C(C)c1cccc(C(C)C)c1 ZINC000002510007 166131425 /nfs/dbraw/zinc/13/14/25/166131425.db2.gz BDXXZCIRCYKRBT-UHFFFAOYSA-N 0 0 160.260 3.843 10 30 AHEERN CCCCCCCC[C@H](C)C#N ZINC000002534701 342975191 /nfs/dbraw/zinc/97/51/91/342975191.db2.gz XPCSGXMQGQGBKU-NSHDSACASA-N 0 0 167.296 3.897 10 30 in-vitro AHEERN CCCCCCCCC[C@H]1CO1 ZINC000002559330 528127189 /nfs/dbraw/zinc/12/71/89/528127189.db2.gz LXVAZSIZYQIZCR-NSHDSACASA-N 0 0 170.296 3.526 10 30 AHEERN C=C([C@H](C)CC)[C@H](C)CC ZINC000002563451 166138394 /nfs/dbraw/zinc/13/83/94/166138394.db2.gz HYWMEQDPWJHDKF-RKDXNWHRSA-N 0 0 140.270 3.635 10 30 AHEERN C=C[C@H](CC)C/C=C/CC ZINC000002564053 166219945 /nfs/dbraw/zinc/21/99/45/166219945.db2.gz DXYBMKOHVHUXNV-QROSGCPLSA-N 0 0 138.254 3.555 10 30 in-vitro AHEERN CC#CCCCCCCCC ZINC000002564126 171007337 /nfs/dbraw/zinc/00/73/37/171007337.db2.gz XZSXEDPHMIFYOS-UHFFFAOYSA-N 0 0 152.281 3.760 10 30 AHEERN C=CC(C)(C)Cc1cccc(C)c1 ZINC000002564153 166160819 /nfs/dbraw/zinc/16/08/19/166160819.db2.gz PROMFSJXGUHCKD-UHFFFAOYSA-N 0 0 174.287 3.750 10 30 AHEERN C=C(C)c1c(C)cc(C)cc1C ZINC000002564798 166133335 /nfs/dbraw/zinc/13/33/35/166133335.db2.gz KNMWUHBKZHDEOQ-UHFFFAOYSA-N 0 0 160.260 3.645 10 30 AHEERN CC(C)(CC#N)c1ccc(Cl)cc1 ZINC000002567798 166391961 /nfs/dbraw/zinc/39/19/61/166391961.db2.gz DGLXUFMXYLZGRA-UHFFFAOYSA-N 0 0 193.677 3.531 10 30 AHEERN CC(C)CCCCCCCC=O ZINC000002568161 351312143 /nfs/dbraw/zinc/31/21/43/351312143.db2.gz WFWCBRYYFJNRNT-UHFFFAOYSA-N 0 0 170.296 3.572 10 30 in-vitro AHEERN C=CCCCCCCCCCCO ZINC000002568355 171214920 /nfs/dbraw/zinc/21/49/20/171214920.db2.gz QNXYZQSFDTZEBK-UHFFFAOYSA-N 0 0 184.323 3.676 10 30 AHEERN CCCCCCCC[C@H](CC)CO ZINC000002570022 166850244 /nfs/dbraw/zinc/85/02/44/166850244.db2.gz LTHQZRHTXDZWGX-LBPRGKRZSA-N 0 0 186.339 3.756 10 30 AHEERN CCCCCCC[C@H](CC)CCO ZINC000002578864 166850153 /nfs/dbraw/zinc/85/01/53/166850153.db2.gz DRQIMDNMLFUNBH-LBPRGKRZSA-N 0 0 186.339 3.756 10 30 AHEERN C=CCCCCCCCCF ZINC000002578890 171008006 /nfs/dbraw/zinc/00/80/06/171008006.db2.gz CNTQEAWFUNXDFC-UHFFFAOYSA-N 0 0 158.260 3.873 10 30 AHEERN C=CC(=O)CCCCCCCCC ZINC000002579455 171163934 /nfs/dbraw/zinc/16/39/34/171163934.db2.gz HFIPGXZCEJXIAM-UHFFFAOYSA-N 0 0 182.307 3.882 10 30 AHEERN C/C(=C\C(=O)C(C)(C)C)C(C)(C)C ZINC000004692754 166048344 /nfs/dbraw/zinc/04/83/44/166048344.db2.gz JDSKGLJSYUSELX-CMDGGOBGSA-N 0 0 182.307 3.594 10 30 AHEERN C/C=C/CC1=C(C)C(=O)CCC1(C)C ZINC000005132837 171215050 /nfs/dbraw/zinc/21/50/50/171215050.db2.gz CVDHBGKYPTUEAA-AATRIKPKSA-N 0 0 192.302 3.658 10 30 AHEERN C=C[C@@](C)(S)CCC=C(C)C ZINC000005138185 171015318 /nfs/dbraw/zinc/01/53/18/171015318.db2.gz PJZSIZBTDLXGEN-SNVBAGLBSA-N 0 0 170.321 3.607 10 30 AHEERN C=C[C@](C)(S)CCC=C(C)C ZINC000005138187 166221505 /nfs/dbraw/zinc/22/15/05/166221505.db2.gz PJZSIZBTDLXGEN-JTQLQIEISA-N 0 0 170.321 3.607 10 30 AHEERN C=CCCCCCCCCC#N ZINC000005157638 571835550 /nfs/dbraw/zinc/83/55/50/571835550.db2.gz NRZJSHMHHFWKBV-UHFFFAOYSA-N 0 0 165.280 3.817 10 30 AHEERN CC(C)=CCC/C(C)=C/CCC=O ZINC000005158568 171015868 /nfs/dbraw/zinc/01/58/68/171015868.db2.gz MMLYERLRGHVBEK-XYOKQWHBSA-N 0 0 180.291 3.658 10 30 AHEERN CC(C)=CCC[C@@H]1C=CCC[C@@H]1C#N ZINC000005158730 571834526 /nfs/dbraw/zinc/83/45/26/571834526.db2.gz ZJTPYSDRFRXYMI-QWHCGFSZSA-N 0 0 189.302 3.839 10 30 AHEERN C=C1CCCC(C)(C)[C@@H]1CCC(C)=O ZINC000005159626 166143323 /nfs/dbraw/zinc/14/33/23/166143323.db2.gz ZLPHULOLXDKCND-GFCCVEGCSA-N 0 0 194.318 3.738 10 30 AHEERN CC(C)=CCCC1=CC[C@H](C#N)CC1 ZINC000005195616 571836807 /nfs/dbraw/zinc/83/68/07/571836807.db2.gz YLVMNUKZYAGOOK-ZDUSSCGKSA-N 0 0 189.302 3.983 10 30 AHEERN CC(C)=CCCC1=CC[C@@H](C#N)CC1 ZINC000005195628 571834896 /nfs/dbraw/zinc/83/48/96/571834896.db2.gz YLVMNUKZYAGOOK-CYBMUJFWSA-N 0 0 189.302 3.983 10 30 AHEERN C=CCCCC1SCCCS1 ZINC000005224976 171205057 /nfs/dbraw/zinc/20/50/57/171205057.db2.gz YSWJUCWMAUMWQZ-UHFFFAOYSA-N 0 0 188.361 3.539 10 30 AHEERN C=C[C@H](CCCC)C1(O)CCCCC1 ZINC000005309590 166219826 /nfs/dbraw/zinc/21/98/26/166219826.db2.gz RGKGZHYKFXZQSR-GFCCVEGCSA-N 0 0 196.334 3.674 10 30 AHEERN C=C[C@@H](CCCC)C1(O)CCCCC1 ZINC000005309938 166213045 /nfs/dbraw/zinc/21/30/45/166213045.db2.gz RGKGZHYKFXZQSR-LBPRGKRZSA-N 0 0 196.334 3.674 10 30 AHEERN CC(C)(C)CC1(CC(C)(C)C)CO1 ZINC000005352069 571838690 /nfs/dbraw/zinc/83/86/90/571838690.db2.gz BWGSZHJIVJXUFR-UHFFFAOYSA-N 0 0 184.323 3.628 10 30 AHEERN C=CC(C)(C)c1c[nH]c2ccccc12 ZINC000005355896 166162230 /nfs/dbraw/zinc/16/22/30/166162230.db2.gz FWMYRLDYKNELFI-UHFFFAOYSA-N 0 0 185.270 3.632 10 30 AHEERN Cc1cccc(/N=C\c2ccccc2)c1 ZINC000005418247 343002251 /nfs/dbraw/zinc/00/22/51/343002251.db2.gz RAMVBCXRKUNVQT-PTNGSMBKSA-N 0 0 195.265 3.746 10 30 AHEERN CC(C)c1cccc([C@@H](C)CC=O)c1 ZINC000005447551 207351005 /nfs/dbraw/zinc/35/10/05/207351005.db2.gz OHRBQTOZYGEWCJ-NSHDSACASA-N 0 0 190.286 3.503 10 30 in-vitro AHEERN CC(C)c1cccc([C@H](C)CC=O)c1 ZINC000005447552 207351112 /nfs/dbraw/zinc/35/11/12/207351112.db2.gz OHRBQTOZYGEWCJ-LLVKDONJSA-N 0 0 190.286 3.503 10 30 in-vitro AHEERN CCC(CC)[C@@H](C#N)c1ccccc1 ZINC000005498165 166798166 /nfs/dbraw/zinc/79/81/66/166798166.db2.gz CXZNRQOQUWOBDJ-CYBMUJFWSA-N 0 0 187.286 3.730 10 30 AHEERN C=CCON=C(CCCC)CCCC ZINC000005645550 571842665 /nfs/dbraw/zinc/84/26/65/571842665.db2.gz ANIGOJOKBYFLEM-UHFFFAOYSA-N 0 0 197.322 3.925 10 30 AHEERN C=C(C)/C=C/[C@H](CCC(C)=O)C(C)C ZINC000005761140 166112613 /nfs/dbraw/zinc/11/26/13/166112613.db2.gz PQDRXUSSKFWCFA-STMXVASLSA-N 0 0 194.318 3.760 10 30 endogenous,in-man AHEERN C=C(C)/C=C/[C@@H](CCC(C)=O)C(C)C ZINC000005761369 166111458 /nfs/dbraw/zinc/11/14/58/166111458.db2.gz PQDRXUSSKFWCFA-CFNZNRNTSA-N 0 0 194.318 3.760 10 30 endogenous,in-man AHEERN CC(C)c1ccc(C[C@@H](C)C#N)cc1 ZINC000005761597 571846360 /nfs/dbraw/zinc/84/63/60/571846360.db2.gz MCYOGOKMJRETFY-LLVKDONJSA-N 0 0 187.286 3.512 10 30 AHEERN CC(C)c1ccc(C[C@H](C)C#N)cc1 ZINC000005761601 571847609 /nfs/dbraw/zinc/84/76/09/571847609.db2.gz MCYOGOKMJRETFY-NSHDSACASA-N 0 0 187.286 3.512 10 30 AHEERN C=CCCC(=O)C1=CCCC(C)(C)C1 ZINC000005762198 171018464 /nfs/dbraw/zinc/01/84/64/171018464.db2.gz OEVIJAZJVZDBQL-UHFFFAOYSA-N 0 0 192.302 3.658 10 30 AHEERN C=CCCC1=C(C)C(=O)CCC1(C)C ZINC000005766361 171017912 /nfs/dbraw/zinc/01/79/12/171017912.db2.gz CZQIKCBGQZBANA-UHFFFAOYSA-N 0 0 192.302 3.658 10 30 AHEERN CCCC[C@H](CC)CC[C@@H](C)C=O ZINC000005822066 571851321 /nfs/dbraw/zinc/85/13/21/571851321.db2.gz VITZPKQAMWMVFA-NEPJUHHUSA-N 0 0 184.323 3.818 10 30 AHEERN CC(C)=CCC/C(C)=C\C=C/C(C)=O ZINC000005824770 166234039 /nfs/dbraw/zinc/23/40/39/166234039.db2.gz JXJIQCXXJGRKRJ-LQBUGXQISA-N 0 0 192.302 3.824 10 30 AHEERN CC[C@@H](C)CCC[C@@H](C)CCC=O ZINC000005922116 167452231 /nfs/dbraw/zinc/45/22/31/167452231.db2.gz XAUQKOJHYTYNRM-VXGBXAGGSA-N 0 0 184.323 3.818 10 30 AHEERN CC[C@@H](C)c1ccc([C@@H](C)C#N)cc1 ZINC000005922781 571855249 /nfs/dbraw/zinc/85/52/49/571855249.db2.gz GSHMPFMOPDUCCK-MNOVXSKESA-N 0 0 187.286 3.827 10 30 AHEERN CC[C@@H](C)c1ccc([C@H](C)C#N)cc1 ZINC000005922783 167496310 /nfs/dbraw/zinc/49/63/10/167496310.db2.gz GSHMPFMOPDUCCK-GHMZBOCLSA-N 0 0 187.286 3.827 10 30 AHEERN CC[C@H](C)c1ccc([C@@H](C)C#N)cc1 ZINC000005925502 167633332 /nfs/dbraw/zinc/63/33/32/167633332.db2.gz GSHMPFMOPDUCCK-QWRGUYRKSA-N 0 0 187.286 3.827 10 30 AHEERN CC[C@H](C)c1ccc([C@H](C)C#N)cc1 ZINC000005925504 571854015 /nfs/dbraw/zinc/85/40/15/571854015.db2.gz GSHMPFMOPDUCCK-WDEREUQCSA-N 0 0 187.286 3.827 10 30 AHEERN CC[C@@](C)(CC=O)CCC=C(C)C ZINC000005954708 167576881 /nfs/dbraw/zinc/57/68/81/167576881.db2.gz GVQWHUAOSOFGJF-GFCCVEGCSA-N 0 0 182.307 3.738 10 30 AHEERN CSCCCCCCCCC#N ZINC000006019709 560109116 /nfs/dbraw/zinc/10/91/16/560109116.db2.gz KQKRRHTVZQEXBX-UHFFFAOYSA-N 0 0 185.336 3.604 10 30 endogenous,in-man AHEERN C[C@@H](CC(C)(C)C#N)c1ccccc1 ZINC000006020388 168336192 /nfs/dbraw/zinc/33/61/92/168336192.db2.gz GWCCFAFCQHECBM-NSHDSACASA-N 0 0 187.286 3.730 10 30 AHEERN C=C[C@@H](C)CC/C=C(\C)C[C@@H](C)C=O ZINC000006020436 166212843 /nfs/dbraw/zinc/21/28/43/166212843.db2.gz ZFSXPBRJVFBKHU-HIZVYSOWSA-N 0 0 194.318 3.760 10 30 AHEERN C[C@@H](CCC#N)CCc1ccccc1 ZINC000006020460 168337056 /nfs/dbraw/zinc/33/70/56/168337056.db2.gz MJQFJAHXUKARCW-LBPRGKRZSA-N 0 0 187.286 3.559 10 30 AHEERN CC(C)=CCC[C@H](C)C/C=C/C(C)=O ZINC000006020486 171164596 /nfs/dbraw/zinc/16/45/96/171164596.db2.gz SLMWIBBJFMTGLJ-JXPAYYINSA-N 0 0 194.318 3.904 10 30 AHEERN C=C1CCCC(C)(C)[C@@H]1CC[C@H](C)O ZINC000006020651 166145097 /nfs/dbraw/zinc/14/50/97/166145097.db2.gz XYSOCYCFJHMQON-NWDGAFQWSA-N 0 0 196.334 3.530 10 30 AHEERN C=C1CCCC(C)(C)[C@H]1CC[C@H](C)O ZINC000006020662 166144864 /nfs/dbraw/zinc/14/48/64/166144864.db2.gz XYSOCYCFJHMQON-RYUDHWBXSA-N 0 0 196.334 3.530 10 30 AHEERN CC(C)=CC[C@H]1C(C)=CC(=O)C[C@H]1C ZINC000006030642 571856104 /nfs/dbraw/zinc/85/61/04/571856104.db2.gz ZRDNXUZULKEEKI-YPMHNXCESA-N 0 0 192.302 3.514 10 30 AHEERN CC(C)=CC[C@@H]1C(C)=CC(=O)C[C@H]1C ZINC000006030646 571856668 /nfs/dbraw/zinc/85/66/68/571856668.db2.gz ZRDNXUZULKEEKI-DGCLKSJQSA-N 0 0 192.302 3.514 10 30 AHEERN C[C@H](CC(C)(C)C#N)c1ccccc1 ZINC000006036128 571856444 /nfs/dbraw/zinc/85/64/44/571856444.db2.gz GWCCFAFCQHECBM-LLVKDONJSA-N 0 0 187.286 3.730 10 30 AHEERN C[C@H](CCC#N)CCc1ccccc1 ZINC000006036191 168523071 /nfs/dbraw/zinc/52/30/71/168523071.db2.gz MJQFJAHXUKARCW-GFCCVEGCSA-N 0 0 187.286 3.559 10 30 AHEERN CC(C)=CCC[C@@H](C)C/C=C/C(C)=O ZINC000006036260 171165138 /nfs/dbraw/zinc/16/51/38/171165138.db2.gz SLMWIBBJFMTGLJ-GCZGVDRJSA-N 0 0 194.318 3.904 10 30 AHEERN C=C1CCCC(C)(C)[C@@H]1CC[C@@H](C)O ZINC000006036460 166145189 /nfs/dbraw/zinc/14/51/89/166145189.db2.gz XYSOCYCFJHMQON-VXGBXAGGSA-N 0 0 196.334 3.530 10 30 AHEERN C=C1CCCC(C)(C)[C@H]1CC[C@@H](C)O ZINC000006036478 166144456 /nfs/dbraw/zinc/14/44/56/166144456.db2.gz XYSOCYCFJHMQON-NEPJUHHUSA-N 0 0 196.334 3.530 10 30 AHEERN CC(C)=CC[C@@H]1C(C)=CC(=O)C[C@@H]1C ZINC000006037352 571858141 /nfs/dbraw/zinc/85/81/41/571858141.db2.gz ZRDNXUZULKEEKI-WCQYABFASA-N 0 0 192.302 3.514 10 30 AHEERN C#CCSc1cccc2ccccc21 ZINC000006644694 166032526 /nfs/dbraw/zinc/03/25/26/166032526.db2.gz KSSVRPVFLFUGJW-UHFFFAOYSA-N 0 0 198.290 3.565 10 30 AHEERN C=C(C)[C@@H](O)/C=C/CCCCCCC ZINC000008019412 171165593 /nfs/dbraw/zinc/16/55/93/171165593.db2.gz RJDJIMPWUWJSMS-NHAQELONSA-N 0 0 196.334 3.840 10 30 AHEERN C=C(C)[C@H](O)/C=C/CCCCCCC ZINC000008019424 166129017 /nfs/dbraw/zinc/12/90/17/166129017.db2.gz RJDJIMPWUWJSMS-OCHBPSSRSA-N 0 0 196.334 3.840 10 30 AHEERN C=CCC1(O)CCC(C(C)(C)C)CC1 ZINC000008727326 166164398 /nfs/dbraw/zinc/16/43/98/166164398.db2.gz ANUINZAUYVLEJU-UHFFFAOYSA-N 0 0 196.334 3.530 10 30 AHEERN CCCC/C=C\CCCCCC=O ZINC000013546060 571746405 /nfs/dbraw/zinc/74/64/05/571746405.db2.gz HTUHYXDEKCWDCI-WAYWQWQTSA-N 0 0 182.307 3.882 10 30 AHEERN CCCC/C=C/CCCCCC=O ZINC000013546061 572623263 /nfs/dbraw/zinc/62/32/63/572623263.db2.gz HTUHYXDEKCWDCI-AATRIKPKSA-N 0 0 182.307 3.882 10 30 AHEERN CCCCCCC1=C(C)CCC1=O ZINC000014439153 343038660 /nfs/dbraw/zinc/03/86/60/343038660.db2.gz JAPZZAUIIPKQJW-UHFFFAOYSA-N 0 0 180.291 3.636 10 30 endogenous,in-man AHEERN CC(=O)/C=C/[C@H]1[C@H](C)CCCC1(C)C ZINC000014587982 572010690 /nfs/dbraw/zinc/01/06/90/572010690.db2.gz YJRODKCOICMRBO-XEEGDWHKSA-N 0 0 194.318 3.594 10 30 AHEERN C=C(C)/C=C\c1ccc2cc[nH]c2c1 ZINC000014590534 571759260 /nfs/dbraw/zinc/75/92/60/571759260.db2.gz QIIFHOAHEFIPRF-ARJAWSKDSA-N 0 0 183.254 3.757 10 30 AHEERN C=C(C)/C=C/c1ccc2[nH]ccc2c1 ZINC000014590767 166111799 /nfs/dbraw/zinc/11/17/99/166111799.db2.gz JZJBGWYDNDZHIE-ONEGZZNKSA-N 0 0 183.254 3.757 10 30 AHEERN CCCC/C=C/C=C\CCCC=O ZINC000015146043 571757987 /nfs/dbraw/zinc/75/79/87/571757987.db2.gz LDQDYNHCLZNOFB-MDAAKZFYSA-N 0 0 180.291 3.658 10 30 AHEERN C/C=C/C=C/CCCCCCC=O ZINC000015146047 343041765 /nfs/dbraw/zinc/04/17/65/343041765.db2.gz TYICDYOLAPJHGA-MQQKCMAXSA-N 0 0 180.291 3.658 10 30 AHEERN CC(C)CC(C)N=Nc1ccccc1 ZINC000016929724 166055813 /nfs/dbraw/zinc/05/58/13/166055813.db2.gz QAHQKKHQQXFDQO-QBFSEMIESA-N 0 0 190.290 3.521 10 30 AHEERN C[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000019728850 168324517 /nfs/dbraw/zinc/32/45/17/168324517.db2.gz ORNRYOSNYRQVSG-JTQLQIEISA-N 0 0 187.286 3.611 10 30 AHEERN C[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000019728851 572197345 /nfs/dbraw/zinc/19/73/45/572197345.db2.gz ORNRYOSNYRQVSG-SNVBAGLBSA-N 0 0 187.286 3.611 10 30 AHEERN CC[C@@H](C#N)c1ccc(C(C)C)cc1 ZINC000019728880 572197553 /nfs/dbraw/zinc/19/75/53/572197553.db2.gz SGGCZHNMTYMGAN-NSHDSACASA-N 0 0 187.286 3.827 10 30 AHEERN CC[C@H](C#N)c1ccc(C(C)C)cc1 ZINC000019728881 167588957 /nfs/dbraw/zinc/58/89/57/167588957.db2.gz SGGCZHNMTYMGAN-LLVKDONJSA-N 0 0 187.286 3.827 10 30 AHEERN CC[C@@H](C#N)c1ccc2c(c1)CCCC2 ZINC000019728888 571787384 /nfs/dbraw/zinc/78/73/84/571787384.db2.gz FAVUXXKDMKTTFX-NSHDSACASA-N 0 0 199.297 3.583 10 30 AHEERN CC[C@H](C#N)c1ccc2c(c1)CCCC2 ZINC000019728889 571786722 /nfs/dbraw/zinc/78/67/22/571786722.db2.gz FAVUXXKDMKTTFX-LLVKDONJSA-N 0 0 199.297 3.583 10 30 AHEERN CCc1ccc([C@@H](C#N)C(C)C)cc1 ZINC000019728910 572196560 /nfs/dbraw/zinc/19/65/60/572196560.db2.gz IIAAIQDTXYHAFS-ZDUSSCGKSA-N 0 0 187.286 3.512 10 30 AHEERN CCc1ccc([C@H](C#N)C(C)C)cc1 ZINC000019728911 572197490 /nfs/dbraw/zinc/19/74/90/572197490.db2.gz IIAAIQDTXYHAFS-CYBMUJFWSA-N 0 0 187.286 3.512 10 30 AHEERN Cc1ccc([C@H](C#N)C(C)C)cc1C ZINC000019728916 572197834 /nfs/dbraw/zinc/19/78/34/572197834.db2.gz XAZXDCXADWZEBR-CYBMUJFWSA-N 0 0 187.286 3.567 10 30 AHEERN Cc1ccc([C@@H](C#N)C(C)C)cc1C ZINC000019728917 168833729 /nfs/dbraw/zinc/83/37/29/168833729.db2.gz XAZXDCXADWZEBR-ZDUSSCGKSA-N 0 0 187.286 3.567 10 30 AHEERN Cc1ccc(C)c([C@H](C#N)C(C)C)c1 ZINC000019728918 572198105 /nfs/dbraw/zinc/19/81/05/572198105.db2.gz AMOFJAKQNMRKML-CYBMUJFWSA-N 0 0 187.286 3.567 10 30 AHEERN Cc1ccc(C)c([C@@H](C#N)C(C)C)c1 ZINC000019728919 168805528 /nfs/dbraw/zinc/80/55/28/168805528.db2.gz AMOFJAKQNMRKML-ZDUSSCGKSA-N 0 0 187.286 3.567 10 30 AHEERN Cc1ccccc1C1(C#N)CCCCC1 ZINC000020429386 171169288 /nfs/dbraw/zinc/16/92/88/171169288.db2.gz SENDTZCDSAONFA-UHFFFAOYSA-N 0 0 199.297 3.721 10 30 AHEERN C[C@@H](S)C12CC3CC(CC(C3)C1)C2 ZINC000020476500 168403060 /nfs/dbraw/zinc/40/30/60/168403060.db2.gz BUNBDAGQROEGFE-AAWJQDODSA-N 0 0 196.359 3.521 10 30 AHEERN C[C@H](S)C12CC3CC(CC(C3)C1)C2 ZINC000020476501 168587853 /nfs/dbraw/zinc/58/78/53/168587853.db2.gz BUNBDAGQROEGFE-JKJWBTBISA-N 0 0 196.359 3.521 10 30 AHEERN SC1CCC(c2ccccc2)CC1 ZINC000020476697 171039463 /nfs/dbraw/zinc/03/94/63/171039463.db2.gz HSUGQRCMAWNUTK-UHFFFAOYSA-N 0 0 192.327 3.643 10 30 AHEERN CC(C)(C)C1CCC(S)CC1 ZINC000020476702 166348782 /nfs/dbraw/zinc/34/87/82/166348782.db2.gz AREUVQQJZCFPEM-UHFFFAOYSA-N 0 0 172.337 3.521 10 30 AHEERN CC1(C)CC[C@@H](S)c2ccccc21 ZINC000020525740 166677963 /nfs/dbraw/zinc/67/79/63/166677963.db2.gz WOEGZLRSNFYDMV-LLVKDONJSA-N 0 0 192.327 3.729 10 30 AHEERN CC1(C)CC[C@H](S)c2ccccc21 ZINC000020525741 572226044 /nfs/dbraw/zinc/22/60/44/572226044.db2.gz WOEGZLRSNFYDMV-NSHDSACASA-N 0 0 192.327 3.729 10 30 AHEERN CC(C)c1cc(Cl)ccc1CC#N ZINC000021986481 166626187 /nfs/dbraw/zinc/62/61/87/166626187.db2.gz VASIBIJDEHFURK-UHFFFAOYSA-N 0 0 193.677 3.529 10 30 AHEERN C=CC[C@H](OC)c1ccc(Cl)cc1 ZINC000021990175 166205990 /nfs/dbraw/zinc/20/59/90/166205990.db2.gz DSLOVRNFUYYDGV-NSHDSACASA-N 0 0 196.677 3.604 10 30 AHEERN C=CC[C@@H](OC)c1ccc(Cl)cc1 ZINC000021990177 166200650 /nfs/dbraw/zinc/20/06/50/166200650.db2.gz DSLOVRNFUYYDGV-LLVKDONJSA-N 0 0 196.677 3.604 10 30 AHEERN CC1=C(/C=C/C#CC#N)C(C)(C)CCC1 ZINC000022067365 343078522 /nfs/dbraw/zinc/07/85/22/343078522.db2.gz LSLSEAKCBXIBNM-WEVVVXLNSA-N 0 0 199.297 3.596 10 30 in-vitro AHEERN C=CCOc1ccc(C(C)(C)C)cc1 ZINC000026892049 166197078 /nfs/dbraw/zinc/19/70/78/166197078.db2.gz VIPLXOQHKFBWES-UHFFFAOYSA-N 0 0 190.286 3.549 10 30 AHEERN O=CC1CCCCCCCCCC1 ZINC000028219563 169396170 /nfs/dbraw/zinc/39/61/70/169396170.db2.gz QXFKYWUVOXBSFV-UHFFFAOYSA-N 0 0 182.307 3.716 10 30 AHEERN [N-]=[N+]=Nc1ccc(N=[N+]=[N-])cc1 ZINC000031284471 526391220 /nfs/dbraw/zinc/39/12/20/526391220.db2.gz QNSQTJHTVQSWFR-UHFFFAOYSA-N 0 0 160.140 3.570 10 30 AHEERN CCc1ccc2c(c1)[C@H](S)CCC2 ZINC000031889747 572442555 /nfs/dbraw/zinc/44/25/55/572442555.db2.gz WAGFLUBVFYZMAF-GFCCVEGCSA-N 0 0 192.327 3.556 10 30 AHEERN CCc1ccc2c(c1)[C@@H](S)CCC2 ZINC000031889750 572444470 /nfs/dbraw/zinc/44/44/70/572444470.db2.gz WAGFLUBVFYZMAF-LBPRGKRZSA-N 0 0 192.327 3.556 10 30 AHEERN Cc1cc2c(cc1C)[C@H](S)CCC2 ZINC000031889760 572443826 /nfs/dbraw/zinc/44/38/26/572443826.db2.gz NKADZWPVWWMEBK-GFCCVEGCSA-N 0 0 192.327 3.611 10 30 AHEERN Cc1cc2c(cc1C)[C@@H](S)CCC2 ZINC000031889763 572444209 /nfs/dbraw/zinc/44/42/09/572444209.db2.gz NKADZWPVWWMEBK-LBPRGKRZSA-N 0 0 192.327 3.611 10 30 AHEERN Cc1cc(C)c2c(c1)[C@H](S)CCC2 ZINC000031889766 572444343 /nfs/dbraw/zinc/44/43/43/572444343.db2.gz JIYLATYPHGMFGY-GFCCVEGCSA-N 0 0 192.327 3.611 10 30 AHEERN Cc1cc(C)c2c(c1)[C@@H](S)CCC2 ZINC000031889770 572443216 /nfs/dbraw/zinc/44/32/16/572443216.db2.gz JIYLATYPHGMFGY-LBPRGKRZSA-N 0 0 192.327 3.611 10 30 AHEERN S[C@@H]1CCCc2ccc(Cl)cc21 ZINC000031889794 572442603 /nfs/dbraw/zinc/44/26/03/572442603.db2.gz MGELMRHLDHWBHS-SNVBAGLBSA-N 0 0 198.718 3.647 10 30 AHEERN S[C@H]1CCCc2ccc(Cl)cc21 ZINC000031889797 572444906 /nfs/dbraw/zinc/44/49/06/572444906.db2.gz MGELMRHLDHWBHS-JTQLQIEISA-N 0 0 198.718 3.647 10 30 AHEERN C=C(C)CCC[C@H](C)C[C@H](O)CC ZINC000032184137 166117383 /nfs/dbraw/zinc/11/73/83/166117383.db2.gz CNGGPKWJEPGPQH-NWDGAFQWSA-N 0 0 184.323 3.530 10 30 AHEERN C=C(C)CCC[C@H](C)C[C@@H](O)CC ZINC000032184139 166117187 /nfs/dbraw/zinc/11/71/87/166117187.db2.gz CNGGPKWJEPGPQH-RYUDHWBXSA-N 0 0 184.323 3.530 10 30 AHEERN C=C(C)CCC[C@@H](C)C[C@@H](O)CC ZINC000032184141 166116120 /nfs/dbraw/zinc/11/61/20/166116120.db2.gz CNGGPKWJEPGPQH-NEPJUHHUSA-N 0 0 184.323 3.530 10 30 AHEERN C=CCOCc1cccc2ccccc21 ZINC000032187919 343100217 /nfs/dbraw/zinc/10/02/17/343100217.db2.gz VCYFXTAWFDPLSV-UHFFFAOYSA-N 0 0 198.265 3.542 10 30 AHEERN CC(C)(/C=N/c1ccccc1)CCl ZINC000032252715 571976059 /nfs/dbraw/zinc/97/60/59/571976059.db2.gz AZYQFGOUJCOZBN-UKTHLTGXSA-N 0 0 195.693 3.654 10 30 AHEERN C=CCOc1ccccc1[C@@H](C)CC ZINC000032296739 343101999 /nfs/dbraw/zinc/10/19/99/343101999.db2.gz AIKFXGXHLLQVTO-NSHDSACASA-N 0 0 190.286 3.765 10 30 AHEERN C=CCOc1ccccc1C(C)(C)C ZINC000032296751 166197074 /nfs/dbraw/zinc/19/70/74/166197074.db2.gz ACDMECIMTJZSCW-UHFFFAOYSA-N 0 0 190.286 3.549 10 30 AHEERN CC(C)=CCC(C)(C)/C=C\C(C)=O ZINC000032303274 166234032 /nfs/dbraw/zinc/23/40/32/166234032.db2.gz DGGSFVWCYRBAHV-CLFYSBASSA-N 0 0 180.291 3.514 10 30 AHEERN CCCCCC[C@@H](C)CC#N ZINC000033506640 573415791 /nfs/dbraw/zinc/41/57/91/573415791.db2.gz FKZSSFLBNYYIDS-SNVBAGLBSA-N 0 0 153.269 3.507 10 30 AHEERN CCCCCC[C@H](C)CC#N ZINC000033506641 573413699 /nfs/dbraw/zinc/41/36/99/573413699.db2.gz FKZSSFLBNYYIDS-JTQLQIEISA-N 0 0 153.269 3.507 10 30 AHEERN C=CCCCCCCCCCC=O ZINC000033506967 171184681 /nfs/dbraw/zinc/18/46/81/171184681.db2.gz LRLMEXPRIMROMY-UHFFFAOYSA-N 0 0 182.307 3.882 10 30 AHEERN CCCCCC[C@@H](C)CCC=O ZINC000033606978 573524320 /nfs/dbraw/zinc/52/43/20/573524320.db2.gz UASJZAYRKLUVLT-LLVKDONJSA-N 0 0 170.296 3.572 10 30 AHEERN CCCCCC[C@H](C)CCC=O ZINC000033606980 573521126 /nfs/dbraw/zinc/52/11/26/573521126.db2.gz UASJZAYRKLUVLT-NSHDSACASA-N 0 0 170.296 3.572 10 30 AHEERN CC(C)CCCC1=CC[C@@H](C=O)CC1 ZINC000033607314 573525048 /nfs/dbraw/zinc/52/50/48/573525048.db2.gz QXCGZLBKYFEHDE-CYBMUJFWSA-N 0 0 194.318 3.738 10 30 AHEERN CC(C)CCCC1=CC[C@H](C=O)CC1 ZINC000033607316 573524067 /nfs/dbraw/zinc/52/40/67/573524067.db2.gz QXCGZLBKYFEHDE-ZDUSSCGKSA-N 0 0 194.318 3.738 10 30 AHEERN CC(C)CCCC1=CCC[C@H](C=O)C1 ZINC000033607319 573521196 /nfs/dbraw/zinc/52/11/96/573521196.db2.gz VJHUPOBBPQKVKU-ZDUSSCGKSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(CCCCOC)C1CCCCC1 ZINC000033611110 166134448 /nfs/dbraw/zinc/13/44/48/166134448.db2.gz AGBZDYNQIZQHHY-UHFFFAOYSA-N 0 0 196.334 3.940 10 30 AHEERN C=CCCC/C=C/COCCCC ZINC000033839322 573785370 /nfs/dbraw/zinc/78/53/70/573785370.db2.gz DLDZPEXXODAGIH-MDZDMXLPSA-N 0 0 182.307 3.716 10 30 AHEERN C=C(C)/C=C\[C@H](CCC(C)=O)C(C)C ZINC000033953679 166111556 /nfs/dbraw/zinc/11/15/56/166111556.db2.gz PQDRXUSSKFWCFA-FWPCIQOSSA-N 0 0 194.318 3.760 10 30 AHEERN C=C[C@H](C)CC/C=C(\C)C[C@@H](C)C=O ZINC000033955253 166217511 /nfs/dbraw/zinc/21/75/11/166217511.db2.gz ZFSXPBRJVFBKHU-NUBPSFNZSA-N 0 0 194.318 3.760 10 30 AHEERN C=C[C@@H](C)CC/C=C(\C)C[C@H](C)C=O ZINC000033955254 166213312 /nfs/dbraw/zinc/21/33/12/166213312.db2.gz ZFSXPBRJVFBKHU-BQFYNABESA-N 0 0 194.318 3.760 10 30 AHEERN C=C[C@H](C)CC/C=C(\C)C[C@H](C)C=O ZINC000033955255 166217099 /nfs/dbraw/zinc/21/70/99/166217099.db2.gz ZFSXPBRJVFBKHU-OVJSSFAUSA-N 0 0 194.318 3.760 10 30 AHEERN C=CCc1ccc(OC(C)(C)C)cc1 ZINC000034027492 166207192 /nfs/dbraw/zinc/20/71/92/166207192.db2.gz DHQYVFABEUAVJU-UHFFFAOYSA-N 0 0 190.286 3.592 10 30 AHEERN C=C(C)c1csc(SC)c1 ZINC000034060714 573408975 /nfs/dbraw/zinc/40/89/75/573408975.db2.gz AVULXZZGBIIGMD-UHFFFAOYSA-N 0 0 170.302 3.503 10 30 AHEERN CC(C)=CCC[C@H](C)CCS ZINC000034084909 166416318 /nfs/dbraw/zinc/41/63/18/166416318.db2.gz XDLLOALYSPYJEX-JTQLQIEISA-N 0 0 172.337 3.689 10 30 AHEERN C[C@]12CC3CC(C#N)(C1)C[C@@](C)(C3)C2 ZINC000034085581 168504300 /nfs/dbraw/zinc/50/43/00/168504300.db2.gz OEXPKZUHIXLJBX-UNTZMWQOSA-N 0 0 189.302 3.507 10 30 AHEERN C=CC(C)(C)[C@H](C#N)c1ccccc1 ZINC000034102000 572475731 /nfs/dbraw/zinc/47/57/31/572475731.db2.gz CYYMZNXEFPZWER-GFCCVEGCSA-N 0 0 185.270 3.506 10 30 AHEERN [N-]=[N+]=Nc1cccc(N=[N+]=[N-])c1 ZINC000034320272 572071498 /nfs/dbraw/zinc/07/14/98/572071498.db2.gz XNRIPCDSMGRSPE-UHFFFAOYSA-N 0 0 160.140 3.570 10 30 AHEERN C=CCC(=O)c1ccc2ccccc2c1 ZINC000034329114 166163724 /nfs/dbraw/zinc/16/37/24/166163724.db2.gz RTURFGBHZQDIHS-UHFFFAOYSA-N 0 0 196.249 3.599 10 30 AHEERN C=C(C)CCCOCc1ccccc1 ZINC000034329940 166117135 /nfs/dbraw/zinc/11/71/35/166117135.db2.gz UOPGNIJMTCAZKE-UHFFFAOYSA-N 0 0 190.286 3.560 10 30 AHEERN C=CCc1c(O)c(C)ccc1C(C)C ZINC000034380887 166207236 /nfs/dbraw/zinc/20/72/36/166207236.db2.gz AMDVNTNTQMBCDE-UHFFFAOYSA-N 0 0 190.286 3.553 10 30 AHEERN CCC/C(CC)=N/c1ccccc1 ZINC000034408277 343118095 /nfs/dbraw/zinc/11/80/95/343118095.db2.gz LMLZKGOHURMZHW-ACCUITESSA-N 0 0 175.275 3.969 10 30 AHEERN CC(C)(C#N)c1ccc2ccccc2c1 ZINC000034412750 166339882 /nfs/dbraw/zinc/33/98/82/166339882.db2.gz ZFYCYWAPIZQPMB-UHFFFAOYSA-N 0 0 195.265 3.641 10 30 AHEERN C[C@@H](CC#N)c1ccc2ccccc2c1 ZINC000034412753 343118436 /nfs/dbraw/zinc/11/84/36/343118436.db2.gz JQZGOPUXYXLLLJ-NSHDSACASA-N 0 0 195.265 3.857 10 30 AHEERN C[C@H](CC#N)c1ccc2ccccc2c1 ZINC000034412754 343118430 /nfs/dbraw/zinc/11/84/30/343118430.db2.gz JQZGOPUXYXLLLJ-LLVKDONJSA-N 0 0 195.265 3.857 10 30 AHEERN C=CCCCC1=CC(=O)CC(C)(C)C1 ZINC000034414659 171185125 /nfs/dbraw/zinc/18/51/25/171185125.db2.gz ZTPPKVLOYKOMNR-UHFFFAOYSA-N 0 0 192.302 3.658 10 30 AHEERN Fc1cccc(/C=N/c2ccccc2)c1 ZINC000034426645 572081321 /nfs/dbraw/zinc/08/13/21/572081321.db2.gz WVZUBXIXGXRBAR-XNTDXEJSSA-N 0 0 199.228 3.576 10 30 AHEERN CC(C)=CC(=O)CC(C)(C)C(C)C ZINC000034479796 572086966 /nfs/dbraw/zinc/08/69/66/572086966.db2.gz IXVUBZQSPRRTMY-UHFFFAOYSA-N 0 0 182.307 3.594 10 30 AHEERN CCC(C)(C)C1CCC(CC=O)CC1 ZINC000034484746 343119952 /nfs/dbraw/zinc/11/99/52/343119952.db2.gz VSJZJBVOENMSRL-UHFFFAOYSA-N 0 0 196.334 3.818 10 30 AHEERN C=C(C)Cc1ccc2ccccc2c1O ZINC000034534761 343121193 /nfs/dbraw/zinc/12/11/93/343121193.db2.gz MAPWTHHKMIJWJT-UHFFFAOYSA-N 0 0 198.265 3.664 10 30 AHEERN C=CC(C)(C)c1cc2ccccc2[nH]1 ZINC000034562432 573462413 /nfs/dbraw/zinc/46/24/13/573462413.db2.gz AGXBENBEQVSXCM-UHFFFAOYSA-N 0 0 185.270 3.632 10 30 AHEERN CC(C)CCCCCCCCC=O ZINC000034568023 351442546 /nfs/dbraw/zinc/44/25/46/351442546.db2.gz TUMDWYVQVPWJDR-UHFFFAOYSA-N 0 0 184.323 3.962 10 30 in-vitro AHEERN CC(C)(C)C1CCC(C)(C#N)CC1 ZINC000034578920 171056486 /nfs/dbraw/zinc/05/64/86/171056486.db2.gz PAXRVLIWJTVZSS-UHFFFAOYSA-N 0 0 179.307 3.753 10 30 AHEERN C=CCC(CC=C)c1ccccc1O ZINC000034596892 571886730 /nfs/dbraw/zinc/88/67/30/571886730.db2.gz VETJIYMPEGXNSB-UHFFFAOYSA-N 0 0 188.270 3.628 10 30 AHEERN C=CC/C(CO)=C(\C)CCC=C(C)C ZINC000034597012 571886844 /nfs/dbraw/zinc/88/68/44/571886844.db2.gz MRHQYZFFZALGLQ-SEYXRHQNSA-N 0 0 194.318 3.618 10 30 AHEERN CCCCCC(=O)C1=CCCCC1 ZINC000034599411 171056545 /nfs/dbraw/zinc/05/65/45/171056545.db2.gz NDFKKLWDQHBBGD-UHFFFAOYSA-N 0 0 180.291 3.636 10 30 AHEERN C=CCCCCOCc1ccccc1 ZINC000034599578 171134993 /nfs/dbraw/zinc/13/49/93/171134993.db2.gz MUHHNJIDWPWASL-UHFFFAOYSA-N 0 0 190.286 3.560 10 30 AHEERN C=CCCCCc1ccc(OC)cc1 ZINC000034616842 171185280 /nfs/dbraw/zinc/18/52/80/171185280.db2.gz KOFUQFNUNRWDOR-UHFFFAOYSA-N 0 0 190.286 3.594 10 30 AHEERN CCC[C@H](C)C[C@H](C)C[C@H](C)C=O ZINC000034618574 571934424 /nfs/dbraw/zinc/93/44/24/571934424.db2.gz UNGHCGVRGVTXFJ-SRVKXCTJSA-N 0 0 184.323 3.674 10 30 AHEERN CCCCC(CC=O)CCCC ZINC000034621974 571938121 /nfs/dbraw/zinc/93/81/21/571938121.db2.gz BFYNSDPQRYPYIF-UHFFFAOYSA-N 0 0 170.296 3.572 10 30 AHEERN CC(C)CCC[C@@H](C)CCS ZINC000034623278 343123771 /nfs/dbraw/zinc/12/37/71/343123771.db2.gz RQWWXOUTWRSURG-SNVBAGLBSA-N 0 0 174.353 3.769 10 30 AHEERN CC(C)CCC[C@H](C)CCS ZINC000034623280 572102819 /nfs/dbraw/zinc/10/28/19/572102819.db2.gz RQWWXOUTWRSURG-JTQLQIEISA-N 0 0 174.353 3.769 10 30 AHEERN C=CCCC(=O)C(=C)C1CCCCC1 ZINC000034761989 572107023 /nfs/dbraw/zinc/10/70/23/572107023.db2.gz WJWBVJLPGOYBGM-UHFFFAOYSA-N 0 0 192.302 3.658 10 30 AHEERN CC[C@H](CC#N)CCc1ccccc1 ZINC000034763387 571695686 /nfs/dbraw/zinc/69/56/86/571695686.db2.gz VKNOSTSFGXTLHG-LBPRGKRZSA-N 0 0 187.286 3.559 10 30 AHEERN CC[C@@H](CC#N)CCc1ccccc1 ZINC000034763390 571699155 /nfs/dbraw/zinc/69/91/55/571699155.db2.gz VKNOSTSFGXTLHG-GFCCVEGCSA-N 0 0 187.286 3.559 10 30 AHEERN CC(C)c1ccc(C2(C#N)CCC2)cc1 ZINC000034940502 572011591 /nfs/dbraw/zinc/01/15/91/572011591.db2.gz XCOROUGALIZNNA-UHFFFAOYSA-N 0 0 199.297 3.755 10 30 AHEERN Cc1cc2c(cccc2N=[N+]=[N-])o1 ZINC000035029847 572117792 /nfs/dbraw/zinc/11/77/92/572117792.db2.gz PYCPQFHIWUIXIV-UHFFFAOYSA-N 0 0 173.175 3.683 10 30 AHEERN Cc1cc2c(cc(C)cc2N=[N+]=[N-])o1 ZINC000035029849 572118351 /nfs/dbraw/zinc/11/83/51/572118351.db2.gz NZZMQJQEGIGHMJ-UHFFFAOYSA-N 0 0 187.202 3.991 10 30 AHEERN CS/C(=C/C=C(C)C)N=C(C)C ZINC000035110799 171058300 /nfs/dbraw/zinc/05/83/00/171058300.db2.gz VCBULQSCXFBVPD-JXMROGBWSA-N 0 0 183.320 3.638 10 30 AHEERN C=C(CCCCCC)C1=CC[C@H](O)C1 ZINC000035260443 572725322 /nfs/dbraw/zinc/72/53/22/572725322.db2.gz PMZAGJQZJJRPGC-ZDUSSCGKSA-N 0 0 194.318 3.594 10 30 AHEERN C=C(CCCCCC)C1=CC[C@@H](O)C1 ZINC000035260444 572723391 /nfs/dbraw/zinc/72/33/91/572723391.db2.gz PMZAGJQZJJRPGC-CYBMUJFWSA-N 0 0 194.318 3.594 10 30 AHEERN Cc1cc(C)cc(C2(C#N)CCCC2)c1 ZINC000035660845 572029843 /nfs/dbraw/zinc/02/98/43/572029843.db2.gz KHYQPSSAPXWUML-UHFFFAOYSA-N 0 0 199.297 3.639 10 30 AHEERN O=C[C@H]1CCC2=C(C1)CCCCCC2 ZINC000035975828 572189424 /nfs/dbraw/zinc/18/94/24/572189424.db2.gz LNEUWHREYOLZGH-NSHDSACASA-N 0 0 192.302 3.636 10 30 AHEERN O=C[C@@H]1CCC2=C(C1)CCCCCC2 ZINC000035975830 572190160 /nfs/dbraw/zinc/19/01/60/572190160.db2.gz LNEUWHREYOLZGH-LLVKDONJSA-N 0 0 192.302 3.636 10 30 AHEERN CCCCS[C@@H]1CCCC[C@@H]1C#N ZINC000036333129 572054326 /nfs/dbraw/zinc/05/43/26/572054326.db2.gz RIOBCUCPPYZQSF-GHMZBOCLSA-N 0 0 197.347 3.602 10 30 AHEERN CCCCS[C@H]1CCCC[C@@H]1C#N ZINC000036333131 572054520 /nfs/dbraw/zinc/05/45/20/572054520.db2.gz RIOBCUCPPYZQSF-MNOVXSKESA-N 0 0 197.347 3.602 10 30 AHEERN CCCCS[C@@H]1CCCC[C@H]1C#N ZINC000036333133 572056341 /nfs/dbraw/zinc/05/63/41/572056341.db2.gz RIOBCUCPPYZQSF-WDEREUQCSA-N 0 0 197.347 3.602 10 30 AHEERN CCCCS[C@H]1CCCC[C@H]1C#N ZINC000036333135 572055076 /nfs/dbraw/zinc/05/50/76/572055076.db2.gz RIOBCUCPPYZQSF-QWRGUYRKSA-N 0 0 197.347 3.602 10 30 AHEERN C=C1CCCC[C@]1(C)C[C@@H](O)C(C)C ZINC000036420372 571908802 /nfs/dbraw/zinc/90/88/02/571908802.db2.gz ZQTKVMPZKYTLFY-CHWSQXEVSA-N 0 0 196.334 3.530 10 30 AHEERN C=C1CCCC[C@]1(C)C[C@H](O)C(C)C ZINC000036420373 571906572 /nfs/dbraw/zinc/90/65/72/571906572.db2.gz ZQTKVMPZKYTLFY-QWHCGFSZSA-N 0 0 196.334 3.530 10 30 AHEERN N#CCCCc1ccc2ccccc2c1 ZINC000036437171 343145320 /nfs/dbraw/zinc/14/53/20/343145320.db2.gz SFBDAMNYYHJUQY-UHFFFAOYSA-N 0 0 195.265 3.686 10 30 AHEERN C=CCCC[C@@H](O)CCCCCC ZINC000036466699 343146315 /nfs/dbraw/zinc/14/63/15/343146315.db2.gz DMWYTZAELCNBQP-GFCCVEGCSA-N 0 0 184.323 3.674 10 30 AHEERN C=C(C)COc1cc(C)cc(C)c1C ZINC000036466809 343146370 /nfs/dbraw/zinc/14/63/70/343146370.db2.gz FIEOTCVRSXCBDN-UHFFFAOYSA-N 0 0 190.286 3.567 10 30 AHEERN CC[C@@H](CC#N)Sc1cccs1 ZINC000036679661 572061397 /nfs/dbraw/zinc/06/13/97/572061397.db2.gz WUUJHSIZJMMOEI-QMMMGPOBSA-N 0 0 197.328 3.532 10 30 AHEERN CC[C@H](CC#N)Sc1cccs1 ZINC000036679662 572063606 /nfs/dbraw/zinc/06/36/06/572063606.db2.gz WUUJHSIZJMMOEI-MRVPVSSYSA-N 0 0 197.328 3.532 10 30 AHEERN CC[C@H](C)S[C@@H]1CCCC[C@@H]1C#N ZINC000037155945 167623397 /nfs/dbraw/zinc/62/33/97/167623397.db2.gz OVYGZFIGVIIVML-HBNTYKKESA-N 0 0 197.347 3.600 10 30 AHEERN CC[C@H](C)S[C@H]1CCCC[C@@H]1C#N ZINC000037155949 571714352 /nfs/dbraw/zinc/71/43/52/571714352.db2.gz OVYGZFIGVIIVML-AXFHLTTASA-N 0 0 197.347 3.600 10 30 AHEERN CCCS[C@@H]1CCCCC[C@@H]1C#N ZINC000037156135 167023263 /nfs/dbraw/zinc/02/32/63/167023263.db2.gz ZBNBDFSELFXBQK-GHMZBOCLSA-N 0 0 197.347 3.602 10 30 AHEERN CCCS[C@H]1CCCCC[C@@H]1C#N ZINC000037156137 167023498 /nfs/dbraw/zinc/02/34/98/167023498.db2.gz ZBNBDFSELFXBQK-MNOVXSKESA-N 0 0 197.347 3.602 10 30 AHEERN CCCS[C@@H]1CCCCC[C@H]1C#N ZINC000037156139 167024230 /nfs/dbraw/zinc/02/42/30/167024230.db2.gz ZBNBDFSELFXBQK-WDEREUQCSA-N 0 0 197.347 3.602 10 30 AHEERN CCCS[C@H]1CCCCC[C@H]1C#N ZINC000037156141 167024480 /nfs/dbraw/zinc/02/44/80/167024480.db2.gz ZBNBDFSELFXBQK-QWRGUYRKSA-N 0 0 197.347 3.602 10 30 AHEERN CCc1c2ccccc2oc1[C@H](C)C#N ZINC000037245557 167722276 /nfs/dbraw/zinc/72/22/76/167722276.db2.gz KXVHAGWLJUMWJF-SECBINFHSA-N 0 0 199.253 3.622 10 30 AHEERN CCC(C)(C)C1CCC(C#N)CC1 ZINC000037245606 166781860 /nfs/dbraw/zinc/78/18/60/166781860.db2.gz YGOQJPOQECSGQK-UHFFFAOYSA-N 0 0 179.307 3.753 10 30 AHEERN Cc1cccc(C2(C#N)CCCCC2)c1 ZINC000037382573 572054498 /nfs/dbraw/zinc/05/44/98/572054498.db2.gz UMQSDHMAGPTLTF-UHFFFAOYSA-N 0 0 199.297 3.721 10 30 AHEERN CC[C@@H](CC#N)SC1CCCCC1 ZINC000037685569 572175526 /nfs/dbraw/zinc/17/55/26/572175526.db2.gz HBATVIZAZKDTLT-JTQLQIEISA-N 0 0 197.347 3.745 10 30 AHEERN CC[C@H](CC#N)SC1CCCCC1 ZINC000037685571 572176567 /nfs/dbraw/zinc/17/65/67/572176567.db2.gz HBATVIZAZKDTLT-SNVBAGLBSA-N 0 0 197.347 3.745 10 30 AHEERN CC(C)S[C@@H]1CCCCC[C@@H]1C#N ZINC000037685690 343174117 /nfs/dbraw/zinc/17/41/17/343174117.db2.gz NJVUKAWJTMGCER-GHMZBOCLSA-N 0 0 197.347 3.600 10 30 AHEERN CC(C)S[C@H]1CCCCC[C@@H]1C#N ZINC000037685692 343174284 /nfs/dbraw/zinc/17/42/84/343174284.db2.gz NJVUKAWJTMGCER-MNOVXSKESA-N 0 0 197.347 3.600 10 30 AHEERN CC(C)S[C@@H]1CCCCC[C@H]1C#N ZINC000037685694 343174329 /nfs/dbraw/zinc/17/43/29/343174329.db2.gz NJVUKAWJTMGCER-WDEREUQCSA-N 0 0 197.347 3.600 10 30 AHEERN CC(C)S[C@H]1CCCCC[C@H]1C#N ZINC000037685695 343174281 /nfs/dbraw/zinc/17/42/81/343174281.db2.gz NJVUKAWJTMGCER-QWRGUYRKSA-N 0 0 197.347 3.600 10 30 AHEERN CCC(C#N)(CC)c1ccccc1C ZINC000037934388 166779606 /nfs/dbraw/zinc/77/96/06/166779606.db2.gz PIJJMWHHJQSNEV-UHFFFAOYSA-N 0 0 187.286 3.576 10 30 AHEERN CC(C)c1ccc(C(C)(C)C#N)cc1 ZINC000037934428 343181906 /nfs/dbraw/zinc/18/19/06/343181906.db2.gz BEEALLSKEPWDPV-UHFFFAOYSA-N 0 0 187.286 3.611 10 30 AHEERN CCC(C#N)(CC)c1cccc(C)c1 ZINC000037934438 343181910 /nfs/dbraw/zinc/18/19/10/343181910.db2.gz TUVHCSQLVKJCFZ-UHFFFAOYSA-N 0 0 187.286 3.576 10 30 AHEERN CCC(C#N)(CC)c1ccc(C)cc1 ZINC000037934441 166779334 /nfs/dbraw/zinc/77/93/34/166779334.db2.gz OXLFTHAKWFBBMQ-UHFFFAOYSA-N 0 0 187.286 3.576 10 30 AHEERN C=CC[C@H]1C[C@H](C(C)(C)C)CCC1=O ZINC000038235046 166205953 /nfs/dbraw/zinc/20/59/53/166205953.db2.gz ISONXJGBQIJAEM-WDEREUQCSA-N 0 0 194.318 3.594 10 30 AHEERN Fc1ccccc1/N=C/c1ccccc1 ZINC000038246945 573649009 /nfs/dbraw/zinc/64/90/09/573649009.db2.gz CPHNKQAGKFUEHV-XNTDXEJSSA-N 0 0 199.228 3.576 10 30 AHEERN C=CCCCCCCCC[C@H](O)C=C ZINC000038293084 343186938 /nfs/dbraw/zinc/18/69/38/343186938.db2.gz GMZMRACKYPMKIR-CYBMUJFWSA-N 0 0 196.334 3.840 10 30 AHEERN C=CCCCCCCCC[C@@H](O)C=C ZINC000038293085 343186987 /nfs/dbraw/zinc/18/69/87/343186987.db2.gz GMZMRACKYPMKIR-ZDUSSCGKSA-N 0 0 196.334 3.840 10 30 AHEERN CC1=CC[C@H](CCCC#N)C1(C)C ZINC000038634551 571852155 /nfs/dbraw/zinc/85/21/55/571852155.db2.gz KYXOHLIIGUCRFA-NSHDSACASA-N 0 0 177.291 3.673 10 30 AHEERN CC1=CC[C@H]([C@@H](C)C[C@@H](C)C=O)CC1 ZINC000038634643 571765584 /nfs/dbraw/zinc/76/55/84/571765584.db2.gz NFPDNGNDFHNRDX-AGIUHOORSA-N 0 0 194.318 3.594 10 30 AHEERN CC1=CC[C@@H]([C@@H](C)C[C@@H](C)C=O)CC1 ZINC000038634645 571852675 /nfs/dbraw/zinc/85/26/75/571852675.db2.gz NFPDNGNDFHNRDX-FRRDWIJNSA-N 0 0 194.318 3.594 10 30 AHEERN CC1=CC[C@H]([C@H](C)C[C@@H](C)C=O)CC1 ZINC000038634648 571763387 /nfs/dbraw/zinc/76/33/87/571763387.db2.gz NFPDNGNDFHNRDX-UPJWGTAASA-N 0 0 194.318 3.594 10 30 AHEERN CC1=CC[C@@H]([C@H](C)C[C@@H](C)C=O)CC1 ZINC000038634650 571852093 /nfs/dbraw/zinc/85/20/93/571852093.db2.gz NFPDNGNDFHNRDX-JHJVBQTASA-N 0 0 194.318 3.594 10 30 AHEERN CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H](C#N)C2 ZINC000038636043 571853328 /nfs/dbraw/zinc/85/33/28/571853328.db2.gz MLPBPJJSDXCCHW-AVGNSLFASA-N 0 0 189.302 3.529 10 30 AHEERN C/C=C\C(=O)[C@@H]1CC=C(C)CC1(C)C ZINC000038636699 166068084 /nfs/dbraw/zinc/06/80/84/166068084.db2.gz RPBGCXLSUJNODQ-GZTOBOFZSA-N 0 0 192.302 3.514 10 30 AHEERN C/C=C\C(=O)[C@H]1CC=C(C)CC1(C)C ZINC000038636704 166068249 /nfs/dbraw/zinc/06/82/49/166068249.db2.gz RPBGCXLSUJNODQ-ISALQUGTSA-N 0 0 192.302 3.514 10 30 AHEERN CC1(C)[C@@H]2CC[C@@H](C2)[C@@H]1CCCC#N ZINC000038643086 571853506 /nfs/dbraw/zinc/85/35/06/571853506.db2.gz FUWRDISUIDPNNF-TUAOUCFPSA-N 0 0 191.318 3.753 10 30 AHEERN C[C@@H](C=O)CC[C@H]1CC[C@@H](C)C1(C)C ZINC000038647993 168332243 /nfs/dbraw/zinc/33/22/43/168332243.db2.gz GUYGVAVSYCHUCB-UTUOFQBUSA-N 0 0 196.334 3.674 10 30 AHEERN C[C@@H](C=O)CC[C@H]1CC[C@H](C)C1(C)C ZINC000038647995 571852723 /nfs/dbraw/zinc/85/27/23/571852723.db2.gz GUYGVAVSYCHUCB-WOPDTQHZSA-N 0 0 196.334 3.674 10 30 AHEERN C[C@@H](C=O)CC[C@@H]1CC[C@@H](C)C1(C)C ZINC000038647996 168331790 /nfs/dbraw/zinc/33/17/90/168331790.db2.gz GUYGVAVSYCHUCB-IJLUTSLNSA-N 0 0 196.334 3.674 10 30 AHEERN C[C@@H](C=O)CC[C@@H]1CC[C@H](C)C1(C)C ZINC000038647998 168622343 /nfs/dbraw/zinc/62/23/43/168622343.db2.gz GUYGVAVSYCHUCB-GRYCIOLGSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCc1cccc([C@H](C)CC)c1O ZINC000038761516 166208297 /nfs/dbraw/zinc/20/82/97/166208297.db2.gz AHGHRZIARCKVRL-SNVBAGLBSA-N 0 0 190.286 3.634 10 30 AHEERN C=CCc1cccc([C@@H](C)CC)c1O ZINC000038761518 343190613 /nfs/dbraw/zinc/19/06/13/343190613.db2.gz AHGHRZIARCKVRL-JTQLQIEISA-N 0 0 190.286 3.634 10 30 AHEERN N#C[C@H](c1ccsc1)C1CCCC1 ZINC000038855191 171070911 /nfs/dbraw/zinc/07/09/11/171070911.db2.gz IIYPDHWBZRKHIV-NSHDSACASA-N 0 0 191.299 3.545 10 30 AHEERN N#C[C@@H](c1ccsc1)C1CCCC1 ZINC000038855193 171070384 /nfs/dbraw/zinc/07/03/84/171070384.db2.gz IIYPDHWBZRKHIV-LLVKDONJSA-N 0 0 191.299 3.545 10 30 AHEERN CC[C@@H](C#N)c1cccc2ccccc21 ZINC000038891156 571777388 /nfs/dbraw/zinc/77/73/88/571777388.db2.gz ZCGOTJSOUHMANH-NSHDSACASA-N 0 0 195.265 3.857 10 30 AHEERN CC[C@H](C#N)c1cccc2ccccc21 ZINC000038891159 571776057 /nfs/dbraw/zinc/77/60/57/571776057.db2.gz ZCGOTJSOUHMANH-LLVKDONJSA-N 0 0 195.265 3.857 10 30 AHEERN C=C(/C=C\CCCCC)[C@H](O)/C=C/C ZINC000038916716 571774223 /nfs/dbraw/zinc/77/42/23/571774223.db2.gz ICNMLKUWEATLRC-KXCIJCLASA-N 0 0 194.318 3.616 10 30 AHEERN C=C[C@H](C)Nc1ccc(Cl)cc1C ZINC000038973994 343192671 /nfs/dbraw/zinc/19/26/71/343192671.db2.gz VOLZDUXYQIIQHR-VIFPVBQESA-N 0 0 195.693 3.635 10 30 AHEERN C=C[C@@H](C)Nc1ccc(Cl)cc1C ZINC000038973995 343192685 /nfs/dbraw/zinc/19/26/85/343192685.db2.gz VOLZDUXYQIIQHR-SECBINFHSA-N 0 0 195.693 3.635 10 30 AHEERN C=C(C)/C=C/C(C)(C)CC[C@H](C)C=O ZINC000039018190 571775883 /nfs/dbraw/zinc/77/58/83/571775883.db2.gz XOWROGJCKIMIMV-WMADIVHISA-N 0 0 194.318 3.760 10 30 AHEERN C=C(C)O[C@H]1C=C(C)CC(C)(C)C1 ZINC000039090070 573400381 /nfs/dbraw/zinc/40/03/81/573400381.db2.gz BWBLHBGBRZYUFT-NSHDSACASA-N 0 0 180.291 3.672 10 30 AHEERN C=C(C)O[C@@H]1C=C(C)CC(C)(C)C1 ZINC000039090071 573401186 /nfs/dbraw/zinc/40/11/86/573401186.db2.gz BWBLHBGBRZYUFT-LLVKDONJSA-N 0 0 180.291 3.672 10 30 AHEERN C=C[C@@](C)(CC)c1ccc(OC)cc1 ZINC000039090364 573401243 /nfs/dbraw/zinc/40/12/43/573401243.db2.gz CFRNJKSINSPNGV-ZDUSSCGKSA-N 0 0 190.286 3.549 10 30 AHEERN CC(C)C1(C#N)CCCCCC1 ZINC000039104038 351491537 /nfs/dbraw/zinc/49/15/37/351491537.db2.gz UGUHGWPJKTWYLK-UHFFFAOYSA-N 0 0 165.280 3.507 10 30 AHEERN C=Nc1c(CC)cccc1C(C)C ZINC000039104851 166226453 /nfs/dbraw/zinc/22/64/53/166226453.db2.gz VQCSNWJKPPEOOA-UHFFFAOYSA-N 0 0 175.275 3.705 10 30 AHEERN c1ccc(SN=C2CCCC2)cc1 ZINC000039112146 169476725 /nfs/dbraw/zinc/47/67/25/169476725.db2.gz DHWVYYIHJWEGHP-UHFFFAOYSA-N 0 0 191.299 3.709 10 30 AHEERN CC=C1C(CC)=C(CC)C(=O)[C@@H]1CC ZINC000039112278 166067188 /nfs/dbraw/zinc/06/71/88/166067188.db2.gz VJRURBOCVFISLY-YOOZJCNJSA-N 0 0 192.302 3.658 10 30 AHEERN C/C=C\C(=O)[C@]1(C)CC[C@H](C(C)C)C1 ZINC000039112383 166068423 /nfs/dbraw/zinc/06/84/23/166068423.db2.gz ZECUKDCVDVHCMK-FRRIYSQJSA-N 0 0 194.318 3.594 10 30 AHEERN C=C(C)[C@H]1CC[C@@](C)(C(=O)C(C)C)C1 ZINC000039112385 166129359 /nfs/dbraw/zinc/12/93/59/166129359.db2.gz LTYJGRVJQCMHMB-WCQYABFASA-N 0 0 194.318 3.594 10 30 AHEERN C=C[C@@]1(C)CCc2c3ccccc3[nH]c21 ZINC000039112602 571783911 /nfs/dbraw/zinc/78/39/11/571783911.db2.gz LQHNPEZWVADTHH-AWEZNQCLSA-N 0 0 197.281 3.558 10 30 AHEERN C=C[C@]1(C)CCc2c3ccccc3[nH]c21 ZINC000039112603 571784285 /nfs/dbraw/zinc/78/42/85/571784285.db2.gz LQHNPEZWVADTHH-CQSZACIVSA-N 0 0 197.281 3.558 10 30 AHEERN N#CC1(N=Nc2ccccc2)CCCC1 ZINC000039112695 573545003 /nfs/dbraw/zinc/54/50/03/573545003.db2.gz ZACHRFFEASGJBN-UHFFFAOYSA-N 0 0 199.257 3.607 10 30 AHEERN C=C[C@H](C)Nc1ccc(C)cc1Cl ZINC000039168967 343205269 /nfs/dbraw/zinc/20/52/69/343205269.db2.gz FLQLLVSAEKKFAW-VIFPVBQESA-N 0 0 195.693 3.635 10 30 AHEERN C=C[C@@H](C)Nc1ccc(C)cc1Cl ZINC000039168968 343205058 /nfs/dbraw/zinc/20/50/58/343205058.db2.gz FLQLLVSAEKKFAW-SECBINFHSA-N 0 0 195.693 3.635 10 30 AHEERN C=C(C)C[C@@H](O)C(=C)CCCCCC ZINC000039185617 571786885 /nfs/dbraw/zinc/78/68/85/571786885.db2.gz SCXDEVJKJSSUKZ-CYBMUJFWSA-N 0 0 196.334 3.840 10 30 AHEERN CCC[C@@H](C#N)c1ccc(Cl)cc1 ZINC000039209783 167026765 /nfs/dbraw/zinc/02/67/65/167026765.db2.gz XUNAXIYOIABQHP-JTQLQIEISA-N 0 0 193.677 3.747 10 30 AHEERN CCC[C@H](C#N)c1ccc(Cl)cc1 ZINC000039209784 167061220 /nfs/dbraw/zinc/06/12/20/167061220.db2.gz XUNAXIYOIABQHP-SNVBAGLBSA-N 0 0 193.677 3.747 10 30 AHEERN C=C(C)c1ccc(OCCC)cc1 ZINC000039220536 166132365 /nfs/dbraw/zinc/13/23/65/166132365.db2.gz MQIOLPUEIRMQQM-UHFFFAOYSA-N 0 0 176.259 3.509 10 30 AHEERN C=C(C)c1ccc(OC(C)C)cc1 ZINC000039220537 166133104 /nfs/dbraw/zinc/13/31/04/166133104.db2.gz FLOULOZMRRTZLD-UHFFFAOYSA-N 0 0 176.259 3.507 10 30 AHEERN O=C(C1=CCCCC1)C1CCCCC1 ZINC000039248211 169315743 /nfs/dbraw/zinc/31/57/43/169315743.db2.gz ONWZINNFAFALNQ-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN CCCCC[C@@H](C#N)c1ccccc1 ZINC000039259350 343209052 /nfs/dbraw/zinc/20/90/52/343209052.db2.gz KITDWGXKROZQAP-ZDUSSCGKSA-N 0 0 187.286 3.874 10 30 AHEERN CCCCC[C@H](C#N)c1ccccc1 ZINC000039259351 343209079 /nfs/dbraw/zinc/20/90/79/343209079.db2.gz KITDWGXKROZQAP-CYBMUJFWSA-N 0 0 187.286 3.874 10 30 AHEERN N#Cc1ccccc1C1=CCCCC1 ZINC000039317977 343210586 /nfs/dbraw/zinc/21/05/86/343210586.db2.gz DUJBSURMQGNFTG-UHFFFAOYSA-N 0 0 183.254 3.516 10 30 AHEERN C=CCC[C@@](C)(O)CCCCCC ZINC000039331424 571965812 /nfs/dbraw/zinc/96/58/12/571965812.db2.gz CSELWXPBTLBUJL-GFCCVEGCSA-N 0 0 184.323 3.674 10 30 AHEERN C=CCC[C@](C)(O)CCCCCC ZINC000039331426 571965205 /nfs/dbraw/zinc/96/52/05/571965205.db2.gz CSELWXPBTLBUJL-LBPRGKRZSA-N 0 0 184.323 3.674 10 30 AHEERN C=CCCc1ccc(Cl)s1 ZINC000039333187 166169964 /nfs/dbraw/zinc/16/99/64/166169964.db2.gz ILGSSAVLMOXNJI-UHFFFAOYSA-N 0 0 172.680 3.520 10 30 AHEERN CCCCCCC1=CC(=O)CCC1 ZINC000039370398 571809460 /nfs/dbraw/zinc/80/94/60/571809460.db2.gz SAOPBTOIBJXDSR-UHFFFAOYSA-N 0 0 180.291 3.636 10 30 AHEERN C=CCc1cc2c(cccc2C)s1 ZINC000039410789 166207227 /nfs/dbraw/zinc/20/72/27/166207227.db2.gz VMHIOPYRBOAJIT-UHFFFAOYSA-N 0 0 188.295 3.938 10 30 AHEERN C=CCc1cc2ccc(C)cc2s1 ZINC000039410791 166206913 /nfs/dbraw/zinc/20/69/13/166206913.db2.gz LCUHYXZFALTUBR-UHFFFAOYSA-N 0 0 188.295 3.938 10 30 AHEERN C=CCc1c(C)ccc(C(C)C)c1O ZINC000039648057 166206460 /nfs/dbraw/zinc/20/64/60/166206460.db2.gz VJYPMGWQIRMJTE-UHFFFAOYSA-N 0 0 190.286 3.553 10 30 AHEERN Cc1ccccc1[C@H](C#N)CC(C)C ZINC000041203989 171083320 /nfs/dbraw/zinc/08/33/20/171083320.db2.gz LPYDAJQAJSTDHE-LBPRGKRZSA-N 0 0 187.286 3.648 10 30 AHEERN Cc1ccccc1[C@@H](C#N)CC(C)C ZINC000041203991 171083363 /nfs/dbraw/zinc/08/33/63/171083363.db2.gz LPYDAJQAJSTDHE-GFCCVEGCSA-N 0 0 187.286 3.648 10 30 AHEERN Cc1cccc([C@H](C#N)CC(C)C)c1 ZINC000041203993 571981091 /nfs/dbraw/zinc/98/10/91/571981091.db2.gz HAIXESSLXXDTCF-ZDUSSCGKSA-N 0 0 187.286 3.648 10 30 AHEERN Cc1cccc([C@@H](C#N)CC(C)C)c1 ZINC000041203995 571979891 /nfs/dbraw/zinc/97/98/91/571979891.db2.gz HAIXESSLXXDTCF-CYBMUJFWSA-N 0 0 187.286 3.648 10 30 AHEERN Cc1ccc([C@H](C#N)CC(C)C)cc1 ZINC000041203997 571981103 /nfs/dbraw/zinc/98/11/03/571981103.db2.gz RIOHZYROVHGXIL-ZDUSSCGKSA-N 0 0 187.286 3.648 10 30 AHEERN Cc1ccc([C@@H](C#N)CC(C)C)cc1 ZINC000041203999 168834091 /nfs/dbraw/zinc/83/40/91/168834091.db2.gz RIOHZYROVHGXIL-CYBMUJFWSA-N 0 0 187.286 3.648 10 30 AHEERN Cc1ccc([C@@H](C#N)C(C)C)c(C)c1 ZINC000041204001 571981499 /nfs/dbraw/zinc/98/14/99/571981499.db2.gz LFCUREQWAZRPET-ZDUSSCGKSA-N 0 0 187.286 3.567 10 30 AHEERN Cc1ccc([C@H](C#N)C(C)C)c(C)c1 ZINC000041204003 571979980 /nfs/dbraw/zinc/97/99/80/571979980.db2.gz LFCUREQWAZRPET-CYBMUJFWSA-N 0 0 187.286 3.567 10 30 AHEERN CCC[C@@H](C#N)c1ccc(C)c(C)c1 ZINC000041204011 167025953 /nfs/dbraw/zinc/02/59/53/167025953.db2.gz XBCLZEYMZMSMPW-ZDUSSCGKSA-N 0 0 187.286 3.711 10 30 AHEERN CCC[C@H](C#N)c1ccc(C)c(C)c1 ZINC000041204013 167061318 /nfs/dbraw/zinc/06/13/18/167061318.db2.gz XBCLZEYMZMSMPW-CYBMUJFWSA-N 0 0 187.286 3.711 10 30 AHEERN CCC[C@@H](C#N)c1cc(C)ccc1C ZINC000041204015 167026838 /nfs/dbraw/zinc/02/68/38/167026838.db2.gz YJPHUGWIXSVZOS-LBPRGKRZSA-N 0 0 187.286 3.711 10 30 AHEERN CCC[C@H](C#N)c1cc(C)ccc1C ZINC000041204017 167062986 /nfs/dbraw/zinc/06/29/86/167062986.db2.gz YJPHUGWIXSVZOS-GFCCVEGCSA-N 0 0 187.286 3.711 10 30 AHEERN CCC[C@@H](C#N)c1ccc(C)cc1C ZINC000041204019 167027612 /nfs/dbraw/zinc/02/76/12/167027612.db2.gz RXKCCOZGFHSHCS-LBPRGKRZSA-N 0 0 187.286 3.711 10 30 AHEERN CCC[C@H](C#N)c1ccc(C)cc1C ZINC000041204021 167061292 /nfs/dbraw/zinc/06/12/92/167061292.db2.gz RXKCCOZGFHSHCS-GFCCVEGCSA-N 0 0 187.286 3.711 10 30 AHEERN CC[C@@H](C#N)c1c(C)cc(C)cc1C ZINC000041204035 571980706 /nfs/dbraw/zinc/98/07/06/571980706.db2.gz BPJNVTVHNHKCMP-LBPRGKRZSA-N 0 0 187.286 3.629 10 30 AHEERN CC[C@H](C#N)c1c(C)cc(C)cc1C ZINC000041204037 571981113 /nfs/dbraw/zinc/98/11/13/571981113.db2.gz BPJNVTVHNHKCMP-GFCCVEGCSA-N 0 0 187.286 3.629 10 30 AHEERN Cc1cc(C)c(C)c([C@@H](C)C#N)c1C ZINC000041204041 571980617 /nfs/dbraw/zinc/98/06/17/571980617.db2.gz DZEPAQUDJHGDBR-JTQLQIEISA-N 0 0 187.286 3.547 10 30 AHEERN Cc1cc(C)c(C)c([C@H](C)C#N)c1C ZINC000041204043 571981275 /nfs/dbraw/zinc/98/12/75/571981275.db2.gz DZEPAQUDJHGDBR-SNVBAGLBSA-N 0 0 187.286 3.547 10 30 AHEERN CCC[C@@H](C#N)c1ccc(F)c(C)c1 ZINC000041205239 167027828 /nfs/dbraw/zinc/02/78/28/167027828.db2.gz IRDMRVKNEBHKAG-NSHDSACASA-N 0 0 191.249 3.541 10 30 AHEERN CCC[C@H](C#N)c1ccc(F)c(C)c1 ZINC000041205240 167061590 /nfs/dbraw/zinc/06/15/90/167061590.db2.gz IRDMRVKNEBHKAG-LLVKDONJSA-N 0 0 191.249 3.541 10 30 AHEERN CC(C)[C@@H](C#N)c1ccccc1Cl ZINC000041206564 343232731 /nfs/dbraw/zinc/23/27/31/343232731.db2.gz IHXDREHIVBDNGW-SNVBAGLBSA-N 0 0 193.677 3.603 10 30 AHEERN CC(C)[C@H](C#N)c1ccccc1Cl ZINC000041206565 343232782 /nfs/dbraw/zinc/23/27/82/343232782.db2.gz IHXDREHIVBDNGW-JTQLQIEISA-N 0 0 193.677 3.603 10 30 AHEERN CC(C)[C@@H](C#N)c1cccc(Cl)c1 ZINC000041206566 571982656 /nfs/dbraw/zinc/98/26/56/571982656.db2.gz LIWQTEWDFNWASS-LLVKDONJSA-N 0 0 193.677 3.603 10 30 AHEERN CC(C)[C@H](C#N)c1cccc(Cl)c1 ZINC000041206567 571983423 /nfs/dbraw/zinc/98/34/23/571983423.db2.gz LIWQTEWDFNWASS-NSHDSACASA-N 0 0 193.677 3.603 10 30 AHEERN Cc1ccccc1[C@@H](C#N)C1CCCC1 ZINC000041209940 572213036 /nfs/dbraw/zinc/21/30/36/572213036.db2.gz PGLJCIKMGWHFQI-AWEZNQCLSA-N 0 0 199.297 3.792 10 30 AHEERN Cc1ccccc1[C@H](C#N)C1CCCC1 ZINC000041209942 572213008 /nfs/dbraw/zinc/21/30/08/572213008.db2.gz PGLJCIKMGWHFQI-CQSZACIVSA-N 0 0 199.297 3.792 10 30 AHEERN Cc1cccc([C@@H](C#N)C2CCCC2)c1 ZINC000041209944 572213208 /nfs/dbraw/zinc/21/32/08/572213208.db2.gz JLZMSEVOBVYZKB-AWEZNQCLSA-N 0 0 199.297 3.792 10 30 AHEERN Cc1cccc([C@H](C#N)C2CCCC2)c1 ZINC000041209946 572213278 /nfs/dbraw/zinc/21/32/78/572213278.db2.gz JLZMSEVOBVYZKB-CQSZACIVSA-N 0 0 199.297 3.792 10 30 AHEERN Cc1ccc([C@@H](C#N)C2CCCC2)cc1 ZINC000041209948 572210696 /nfs/dbraw/zinc/21/06/96/572210696.db2.gz HAYSUZZFDNHWGR-AWEZNQCLSA-N 0 0 199.297 3.792 10 30 AHEERN Cc1ccc([C@H](C#N)C2CCCC2)cc1 ZINC000041209950 572211213 /nfs/dbraw/zinc/21/12/13/572211213.db2.gz HAYSUZZFDNHWGR-CQSZACIVSA-N 0 0 199.297 3.792 10 30 AHEERN CC(C)[C@@H](C#N)c1ccc(Cl)s1 ZINC000041210173 571983561 /nfs/dbraw/zinc/98/35/61/571983561.db2.gz VDEQEFGJPQPVJB-SSDOTTSWSA-N 0 0 199.706 3.665 10 30 AHEERN CC(C)[C@H](C#N)c1ccc(Cl)s1 ZINC000041210175 571982302 /nfs/dbraw/zinc/98/23/02/571982302.db2.gz VDEQEFGJPQPVJB-ZETCQYMHSA-N 0 0 199.706 3.665 10 30 AHEERN CCC[C@@H](C#N)c1ccc(Cl)s1 ZINC000041210177 167026714 /nfs/dbraw/zinc/02/67/14/167026714.db2.gz LFRWAUVHLGFLSU-ZETCQYMHSA-N 0 0 199.706 3.809 10 30 AHEERN CCC[C@H](C#N)c1ccc(Cl)s1 ZINC000041210179 167061471 /nfs/dbraw/zinc/06/14/71/167061471.db2.gz LFRWAUVHLGFLSU-SSDOTTSWSA-N 0 0 199.706 3.809 10 30 AHEERN C=CCNc1ccc(CCCC)cc1 ZINC000041571024 166191663 /nfs/dbraw/zinc/19/16/63/166191663.db2.gz KWGVKMRDDYKHKT-UHFFFAOYSA-N 0 0 189.302 3.627 10 30 AHEERN C#CCSc1ccc(C(C)C)cc1 ZINC000042012054 166029490 /nfs/dbraw/zinc/02/94/90/166029490.db2.gz JNHFUYWXDYQQHK-UHFFFAOYSA-N 0 0 190.311 3.535 10 30 AHEERN C/C=C/C(=O)c1ccc(C(C)C)cc1 ZINC000042394519 343241333 /nfs/dbraw/zinc/24/13/33/343241333.db2.gz KTWYKIRRTYRLBW-SNAWJCMRSA-N 0 0 188.270 3.569 10 30 AHEERN CCCCCCCCC(=O)C(F)F ZINC000043411511 171150798 /nfs/dbraw/zinc/15/07/98/171150798.db2.gz KBTBQKNTXFVGSP-UHFFFAOYSA-N 0 0 192.249 3.571 10 30 AHEERN C=C(C)CCc1ccc(OC)c(C)c1 ZINC000043502485 166117393 /nfs/dbraw/zinc/11/73/93/166117393.db2.gz NBVAQDMVNRJGKK-UHFFFAOYSA-N 0 0 190.286 3.512 10 30 AHEERN C=C(C)CCCc1ccccc1OC ZINC000043502495 166117200 /nfs/dbraw/zinc/11/72/00/166117200.db2.gz FXCBGSWEAPRQIK-UHFFFAOYSA-N 0 0 190.286 3.594 10 30 AHEERN C=C(C)CCc1ccc(SC)cc1 ZINC000043502534 166117970 /nfs/dbraw/zinc/11/79/70/166117970.db2.gz LZYRQQMHWAQWND-UHFFFAOYSA-N 0 0 192.327 3.917 10 30 AHEERN C=C(C)Cc1cccc(SC)c1 ZINC000043502538 166126819 /nfs/dbraw/zinc/12/68/19/166126819.db2.gz NECUZEVYOVHAAU-UHFFFAOYSA-N 0 0 178.300 3.527 10 30 AHEERN C=C(C)Cc1ccc(OCCC)cc1 ZINC000043502548 166127090 /nfs/dbraw/zinc/12/70/90/166127090.db2.gz ILCOBZXKIVIVBI-UHFFFAOYSA-N 0 0 190.286 3.594 10 30 AHEERN C=CCc1c(OC)ccc2ccccc21 ZINC000043505138 343252808 /nfs/dbraw/zinc/25/28/08/343252808.db2.gz LNUSCVIUFGZNGS-UHFFFAOYSA-N 0 0 198.265 3.577 10 30 AHEERN C=CCCc1ccc(SC)cc1 ZINC000043505154 343252831 /nfs/dbraw/zinc/25/28/31/343252831.db2.gz LYYJGDRRWWBJKH-UHFFFAOYSA-N 0 0 178.300 3.527 10 30 AHEERN CCCCCC[C@@H](C)O[C@H](C#N)CC ZINC000043557204 573846360 /nfs/dbraw/zinc/84/63/60/573846360.db2.gz PUMNMIPFPPRKIG-NEPJUHHUSA-N 0 0 197.322 3.664 10 30 AHEERN CCCCCC[C@H](C)O[C@H](C#N)CC ZINC000043557206 573844799 /nfs/dbraw/zinc/84/47/99/573844799.db2.gz PUMNMIPFPPRKIG-RYUDHWBXSA-N 0 0 197.322 3.664 10 30 AHEERN CCCCCC[C@@H](C)O[C@@H](C#N)CC ZINC000043557208 573846164 /nfs/dbraw/zinc/84/61/64/573846164.db2.gz PUMNMIPFPPRKIG-VXGBXAGGSA-N 0 0 197.322 3.664 10 30 AHEERN CCCCCC[C@H](C)O[C@@H](C#N)CC ZINC000043557210 573843593 /nfs/dbraw/zinc/84/35/93/573843593.db2.gz PUMNMIPFPPRKIG-NWDGAFQWSA-N 0 0 197.322 3.664 10 30 AHEERN CCCC[C@@H](CC)CO[C@H](C#N)CC ZINC000043557227 573847106 /nfs/dbraw/zinc/84/71/06/573847106.db2.gz VRBHZDHUVYFNOA-NEPJUHHUSA-N 0 0 197.322 3.522 10 30 AHEERN CCCC[C@H](CC)CO[C@H](C#N)CC ZINC000043557229 573848385 /nfs/dbraw/zinc/84/83/85/573848385.db2.gz VRBHZDHUVYFNOA-RYUDHWBXSA-N 0 0 197.322 3.522 10 30 AHEERN CCCC[C@@H](CC)CO[C@@H](C#N)CC ZINC000043557230 573844481 /nfs/dbraw/zinc/84/44/81/573844481.db2.gz VRBHZDHUVYFNOA-VXGBXAGGSA-N 0 0 197.322 3.522 10 30 AHEERN CCCC[C@H](CC)CO[C@@H](C#N)CC ZINC000043557232 573844441 /nfs/dbraw/zinc/84/44/41/573844441.db2.gz VRBHZDHUVYFNOA-NWDGAFQWSA-N 0 0 197.322 3.522 10 30 AHEERN C=C(C)C[C@@H]1C[C@H](CCC)CCC1=O ZINC000043653761 166125525 /nfs/dbraw/zinc/12/55/25/166125525.db2.gz OERTZFJNWCROEO-VXGBXAGGSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(C)C[C@@H]1C[C@@H](CCC)CCC1=O ZINC000043653763 166124906 /nfs/dbraw/zinc/12/49/06/166124906.db2.gz OERTZFJNWCROEO-NWDGAFQWSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(C)C[C@H]1C[C@H](CCC)CCC1=O ZINC000043653765 166124425 /nfs/dbraw/zinc/12/44/25/166124425.db2.gz OERTZFJNWCROEO-NEPJUHHUSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(C)C[C@H]1C[C@@H](CCC)CCC1=O ZINC000043653767 166126165 /nfs/dbraw/zinc/12/61/65/166126165.db2.gz OERTZFJNWCROEO-RYUDHWBXSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(C)C[C@@H]1C[C@H](CCC)CC[C@@H]1O ZINC000043660954 573858130 /nfs/dbraw/zinc/85/81/30/573858130.db2.gz ZUDYGPYMNUMYIR-UPJWGTAASA-N 0 0 196.334 3.530 10 30 AHEERN C=C(C)C[C@@H]1C[C@@H](CCC)CC[C@@H]1O ZINC000043660956 573859065 /nfs/dbraw/zinc/85/90/65/573859065.db2.gz ZUDYGPYMNUMYIR-XQQFMLRXSA-N 0 0 196.334 3.530 10 30 AHEERN C=C(C)C[C@@H]1C[C@H](CCC)CC[C@H]1O ZINC000043660958 572240620 /nfs/dbraw/zinc/24/06/20/572240620.db2.gz ZUDYGPYMNUMYIR-JHJVBQTASA-N 0 0 196.334 3.530 10 30 AHEERN C=C(C)C[C@@H]1C[C@@H](CCC)CC[C@H]1O ZINC000043660960 572241564 /nfs/dbraw/zinc/24/15/64/572241564.db2.gz ZUDYGPYMNUMYIR-YNEHKIRRSA-N 0 0 196.334 3.530 10 30 AHEERN CCCC/C=C\C=C\CCCC=O ZINC000044135119 343261350 /nfs/dbraw/zinc/26/13/50/343261350.db2.gz LDQDYNHCLZNOFB-IGTJQSIKSA-N 0 0 180.291 3.658 10 30 AHEERN N#CCc1ccccc1C1CCCCC1 ZINC000044369422 169103893 /nfs/dbraw/zinc/10/38/93/169103893.db2.gz XHCBSXQMAWETHK-UHFFFAOYSA-N 0 0 199.297 3.800 10 30 AHEERN C=CC[C@@H]1C[C@H](C(C)(C)C)CCC1=O ZINC000044468897 166202295 /nfs/dbraw/zinc/20/22/95/166202295.db2.gz ISONXJGBQIJAEM-GHMZBOCLSA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@@H]1C[C@@H](C(C)(C)C)CCC1=O ZINC000044468900 166202517 /nfs/dbraw/zinc/20/25/17/166202517.db2.gz ISONXJGBQIJAEM-MNOVXSKESA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@H]1C[C@@H](C(C)(C)C)CCC1=O ZINC000044468902 166205538 /nfs/dbraw/zinc/20/55/38/166205538.db2.gz ISONXJGBQIJAEM-QWRGUYRKSA-N 0 0 194.318 3.594 10 30 AHEERN C[C@@H]1C[C@@H]2[C@H](C/C1=C/CC#N)C2(C)C ZINC000044710216 351539842 /nfs/dbraw/zinc/53/98/42/351539842.db2.gz WHPKEUKLQUSZBC-UXSOXBCLSA-N 0 0 189.302 3.529 10 30 AHEERN C=C[C@H](C)c1nc2ccccc2s1 ZINC000045237010 166219769 /nfs/dbraw/zinc/21/97/69/166219769.db2.gz GRLSMKPYOSJOFJ-QMMMGPOBSA-N 0 0 189.283 3.586 10 30 AHEERN C=C[C@@H](C)c1nc2ccccc2s1 ZINC000045237012 166212975 /nfs/dbraw/zinc/21/29/75/166212975.db2.gz GRLSMKPYOSJOFJ-MRVPVSSYSA-N 0 0 189.283 3.586 10 30 AHEERN CC(C)(C)[C@@H]1CCCC[C@]1(Cl)C#N ZINC000045626779 572561733 /nfs/dbraw/zinc/56/17/33/572561733.db2.gz XIQJMOBYCPSIAT-ONGXEEELSA-N 0 0 199.725 3.724 10 30 AHEERN CC(C)(C)[C@H]1CCCC[C@]1(Cl)C#N ZINC000045626780 572564263 /nfs/dbraw/zinc/56/42/63/572564263.db2.gz XIQJMOBYCPSIAT-KOLCDFICSA-N 0 0 199.725 3.724 10 30 AHEERN CC(C)(C)[C@@H]1CCCC[C@@]1(Cl)C#N ZINC000045626781 572563539 /nfs/dbraw/zinc/56/35/39/572563539.db2.gz XIQJMOBYCPSIAT-GXSJLCMTSA-N 0 0 199.725 3.724 10 30 AHEERN CC(C)(C)[C@H]1CCCC[C@@]1(Cl)C#N ZINC000045626782 572563589 /nfs/dbraw/zinc/56/35/89/572563589.db2.gz XIQJMOBYCPSIAT-MWLCHTKSSA-N 0 0 199.725 3.724 10 30 AHEERN CC(C)[C@H]1CC[C@@H](C)C[C@@]1(Cl)C#N ZINC000045626807 572566008 /nfs/dbraw/zinc/56/60/08/572566008.db2.gz RSMJBPWZSVUFGR-GMTAPVOTSA-N 0 0 199.725 3.580 10 30 AHEERN CC(C)[C@H]1CC[C@H](C)C[C@@]1(Cl)C#N ZINC000045626808 573995614 /nfs/dbraw/zinc/99/56/14/573995614.db2.gz RSMJBPWZSVUFGR-HBNTYKKESA-N 0 0 199.725 3.580 10 30 AHEERN CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(Cl)C#N ZINC000045626809 572562903 /nfs/dbraw/zinc/56/29/03/572562903.db2.gz RSMJBPWZSVUFGR-OUAUKWLOSA-N 0 0 199.725 3.580 10 30 AHEERN CC(C)[C@@H]1CC[C@H](C)C[C@@]1(Cl)C#N ZINC000045626810 573995153 /nfs/dbraw/zinc/99/51/53/573995153.db2.gz RSMJBPWZSVUFGR-GARJFASQSA-N 0 0 199.725 3.580 10 30 AHEERN CC(C)(C)C1CCC(Cl)(C#N)CC1 ZINC000045626840 572563808 /nfs/dbraw/zinc/56/38/08/572563808.db2.gz MKJXTROFFURUNP-UHFFFAOYSA-N 0 0 199.725 3.724 10 30 AHEERN Cc1cc(-c2ccccc2)ccc1C#N ZINC000047207457 571917854 /nfs/dbraw/zinc/91/78/54/571917854.db2.gz LTFGNYGUKXREBK-UHFFFAOYSA-N 0 0 193.249 3.534 10 30 AHEERN Cc1ccc(C#N)cc1-c1cccs1 ZINC000049812014 171095458 /nfs/dbraw/zinc/09/54/58/171095458.db2.gz IANSLTGHVAPPHT-UHFFFAOYSA-N 0 0 199.278 3.595 10 30 AHEERN O=C(CC1CCCC1)C1=CCCCC1 ZINC000050324834 169318461 /nfs/dbraw/zinc/31/84/61/169318461.db2.gz YPELAQOJLGMYHW-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN CCCC[C@@H](CC)C(=O)C1=CCCC1 ZINC000050325198 166914255 /nfs/dbraw/zinc/91/42/55/166914255.db2.gz HFEVLDBOADDDGX-LLVKDONJSA-N 0 0 194.318 3.882 10 30 AHEERN CCCC[C@H](CC)C(=O)C1=CCCC1 ZINC000050325199 573383748 /nfs/dbraw/zinc/38/37/48/573383748.db2.gz HFEVLDBOADDDGX-NSHDSACASA-N 0 0 194.318 3.882 10 30 AHEERN O=C(CCC1CCCC1)C1=CCCC1 ZINC000050325212 169318262 /nfs/dbraw/zinc/31/82/62/169318262.db2.gz PYKOYHSVZNARKH-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN O=C(CC1CCCCC1)C1=CCCC1 ZINC000050325225 169317960 /nfs/dbraw/zinc/31/79/60/169317960.db2.gz SFSZJBDKGCPGKB-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN O=C(C1=CCCCCC1)C1CCCC1 ZINC000050325339 343281501 /nfs/dbraw/zinc/28/15/01/343281501.db2.gz LKFVWFZRQCRJON-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN CC(C)(C)CC(=O)C1=CCCCCC1 ZINC000050325412 572877382 /nfs/dbraw/zinc/87/73/82/572877382.db2.gz JXJQMYWNVKCCBI-UHFFFAOYSA-N 0 0 194.318 3.882 10 30 AHEERN CC(C)CCC(=O)C1=CCCCCC1 ZINC000050325418 573385825 /nfs/dbraw/zinc/38/58/25/573385825.db2.gz WLJKJSGQBCZVNN-UHFFFAOYSA-N 0 0 194.318 3.882 10 30 AHEERN C=C(C)CNc1cccc(C(C)C)c1 ZINC000051753270 166123921 /nfs/dbraw/zinc/12/39/21/166123921.db2.gz HXRQWSPDHJDAHS-UHFFFAOYSA-N 0 0 189.302 3.798 10 30 AHEERN CCCc1c(C#N)oc2ccc(C)cc21 ZINC000052068717 167095742 /nfs/dbraw/zinc/09/57/42/167095742.db2.gz ACLXNCMRHIRXEX-UHFFFAOYSA-N 0 0 199.253 3.565 10 30 AHEERN Cc1c(C#N)oc2ccc(C(C)C)cc12 ZINC000052068755 168706277 /nfs/dbraw/zinc/70/62/77/168706277.db2.gz FMKBXYQIWDIEAQ-UHFFFAOYSA-N 0 0 199.253 3.736 10 30 AHEERN CC(C)(C)c1ccc2oc(C#N)cc2c1 ZINC000052068821 166386040 /nfs/dbraw/zinc/38/60/40/166386040.db2.gz AMROTCYCUUUHRH-UHFFFAOYSA-N 0 0 199.253 3.602 10 30 AHEERN C=C[C@H](C)[C@@H]1C[C@@H](CCC)CCC1=O ZINC000052143425 166220064 /nfs/dbraw/zinc/22/00/64/166220064.db2.gz QQHOTVZSZJNFJT-SRVKXCTJSA-N 0 0 194.318 3.594 10 30 AHEERN C=C[C@H](C)[C@H]1C[C@@H](CCC)CCC1=O ZINC000052143429 166219281 /nfs/dbraw/zinc/21/92/81/166219281.db2.gz QQHOTVZSZJNFJT-SDDRHHMPSA-N 0 0 194.318 3.594 10 30 AHEERN O=C(C1=CCCC1)C1CCCCCC1 ZINC000053713912 572530268 /nfs/dbraw/zinc/53/02/68/572530268.db2.gz JLLMRGYZPXNICP-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN CCC(C)(C)C(=O)C1=CCCCCC1 ZINC000054402205 343323157 /nfs/dbraw/zinc/32/31/57/343323157.db2.gz HAGDDICHGISTGO-UHFFFAOYSA-N 0 0 194.318 3.882 10 30 AHEERN C/C=C\C(=O)c1cccc2ccccc21 ZINC000054438533 343323760 /nfs/dbraw/zinc/32/37/60/343323760.db2.gz FEDLUXBEDAPEAU-KXFIGUGUSA-N 0 0 196.249 3.599 10 30 AHEERN CC[C@H](C#N)S[C@@H]1CCC[C@H](C)C1 ZINC000054691017 572715967 /nfs/dbraw/zinc/71/59/67/572715967.db2.gz XOEPRKNEXWNEAO-HBNTYKKESA-N 0 0 197.347 3.600 10 30 AHEERN CC[C@H](C#N)S[C@H]1CCC[C@H](C)C1 ZINC000054691023 572717186 /nfs/dbraw/zinc/71/71/86/572717186.db2.gz XOEPRKNEXWNEAO-AXFHLTTASA-N 0 0 197.347 3.600 10 30 AHEERN C[C@@H](CC#N)S[C@H]1CCC[C@@H](C)C1 ZINC000054691042 343327480 /nfs/dbraw/zinc/32/74/80/343327480.db2.gz BPIKMIGMYDYTOC-VWYCJHECSA-N 0 0 197.347 3.600 10 30 AHEERN C[C@@H](CC#N)S[C@@H]1CCC[C@@H](C)C1 ZINC000054691048 343327419 /nfs/dbraw/zinc/32/74/19/343327419.db2.gz BPIKMIGMYDYTOC-OUAUKWLOSA-N 0 0 197.347 3.600 10 30 AHEERN C#C/C=C/C1=C(C)CCCC1(C)C ZINC000054967430 171195428 /nfs/dbraw/zinc/19/54/28/171195428.db2.gz FYASLQYJBYEUET-RMKNXTFCSA-N 0 0 174.287 3.702 10 30 in-vitro AHEERN C#Cc1ccc(C2CCCCC2)cc1 ZINC000059019982 343341842 /nfs/dbraw/zinc/34/18/42/343341842.db2.gz NIUKLFWVAJWYCH-UHFFFAOYSA-N 0 0 184.282 3.716 10 30 AHEERN Cc1cccc(-c2ccccc2)c1C#N ZINC000059031785 343341838 /nfs/dbraw/zinc/34/18/38/343341838.db2.gz CTTUUXGJIWMJHV-UHFFFAOYSA-N 0 0 193.249 3.534 10 30 AHEERN C=CCCC(C)(C)c1ccccc1 ZINC000059189641 343343083 /nfs/dbraw/zinc/34/30/83/343343083.db2.gz FZJLKXGGVSZTAV-UHFFFAOYSA-N 0 0 174.287 3.930 10 30 AHEERN C=CCCCCCc1ccccc1 ZINC000059230227 343343250 /nfs/dbraw/zinc/34/32/50/343343250.db2.gz SAOCHKRLOYGISG-UHFFFAOYSA-N 0 0 174.287 3.976 10 30 AHEERN C=C(C)CC[C@H](C)CCC ZINC000059230950 343343305 /nfs/dbraw/zinc/34/33/05/343343305.db2.gz NQRRNCDWJYBMJW-SNVBAGLBSA-N 0 0 140.270 3.779 10 30 AHEERN C=C(C)CC[C@@H](C)CCC ZINC000059230953 343343334 /nfs/dbraw/zinc/34/33/34/343343334.db2.gz NQRRNCDWJYBMJW-JTQLQIEISA-N 0 0 140.270 3.779 10 30 AHEERN C=C(CC)C1CCCCC1 ZINC000059338046 166134757 /nfs/dbraw/zinc/13/47/57/166134757.db2.gz IHTZVHVTPAAFJQ-UHFFFAOYSA-N 0 0 138.254 3.533 10 30 AHEERN CCCCC(C)N=Nc1ccccc1 ZINC000059499018 572974827 /nfs/dbraw/zinc/97/48/27/572974827.db2.gz WWHGXLNZCRLUDT-QBFSEMIESA-N 0 0 190.290 3.665 10 30 AHEERN C=C[C@]1(C)CCCC[C@H]1C(=C)C ZINC000059586297 560082988 /nfs/dbraw/zinc/08/29/88/560082988.db2.gz GSWMWHMVBGZMEZ-NWDGAFQWSA-N 0 0 164.292 3.945 10 30 biogenic,in-vitro AHEERN C=CC(C)(C)CCC=C(C)C ZINC000059589108 560082601 /nfs/dbraw/zinc/08/26/01/560082601.db2.gz BCDJCVRHBXSSQH-UHFFFAOYSA-N 0 0 152.281 3.945 10 30 biogenic,in-vitro AHEERN C=CCC(CCC)CCC ZINC000059699624 343347220 /nfs/dbraw/zinc/34/72/20/343347220.db2.gz WVLCITYWJRJQJX-UHFFFAOYSA-N 0 0 140.270 3.779 10 30 AHEERN CCCCCCCC/C=C\CCO ZINC000059724862 371639050 /nfs/dbraw/zinc/63/90/50/371639050.db2.gz BDGQTWOHKASHQU-KTKRTIGZSA-N 0 0 184.323 3.676 10 30 AHEERN CCCCCC/C=C\CCCCO ZINC000059724866 166848419 /nfs/dbraw/zinc/84/84/19/166848419.db2.gz OTJWLIMIKGBSSN-FPLPWBNLSA-N 0 0 184.323 3.676 10 30 AHEERN CCCCCC/C=C\CCCC=O ZINC000059725472 571967949 /nfs/dbraw/zinc/96/79/49/571967949.db2.gz MXYKXSMSECVABY-FPLPWBNLSA-N 0 0 182.307 3.882 10 30 AHEERN C=C/C=C\CCCCCCCC=O ZINC000059725477 571969296 /nfs/dbraw/zinc/96/92/96/571969296.db2.gz QQGSJQOOBIWRBK-ARJAWSKDSA-N 0 0 180.291 3.658 10 30 AHEERN CCCC/C=C\C=C/CCCC=O ZINC000059725485 571968987 /nfs/dbraw/zinc/96/89/87/571968987.db2.gz LDQDYNHCLZNOFB-ISTTXYCBSA-N 0 0 180.291 3.658 10 30 AHEERN C=C(C)c1ccccc1C(F)(F)F ZINC000059812039 343347958 /nfs/dbraw/zinc/34/79/58/343347958.db2.gz STSNKGSKJPKXNZ-UHFFFAOYSA-N 0 0 186.176 3.739 10 30 AHEERN C=C(/C=C/C)CCC=C(C)C ZINC000060065322 343350422 /nfs/dbraw/zinc/35/04/22/343350422.db2.gz YMHULONGGKKYSQ-FNORWQNLSA-N 0 0 150.265 3.865 10 30 AHEERN CCCCCCCC[C@H]1CS1 ZINC000060272820 166850398 /nfs/dbraw/zinc/85/03/98/166850398.db2.gz RDHVPGPNQHDFPC-JTQLQIEISA-N 0 0 172.337 3.852 10 30 AHEERN CCCCC1CCC(C#N)CC1 ZINC000062351297 343373864 /nfs/dbraw/zinc/37/38/64/343373864.db2.gz XTHKBNKZSNJOCE-UHFFFAOYSA-N 0 0 165.280 3.507 10 30 AHEERN N#C[C@H]1CCCC[C@H]1c1cccs1 ZINC000062567613 169111248 /nfs/dbraw/zinc/11/12/48/169111248.db2.gz DIGLPSRPAGQEKV-NXEZZACHSA-N 0 0 191.299 3.545 10 30 AHEERN N#C[C@H]1CCCC[C@@H]1c1cccs1 ZINC000062567615 169112233 /nfs/dbraw/zinc/11/22/33/169112233.db2.gz DIGLPSRPAGQEKV-ZJUUUORDSA-N 0 0 191.299 3.545 10 30 AHEERN N#C[C@@H]1CCCC[C@H]1c1cccs1 ZINC000062567616 169107475 /nfs/dbraw/zinc/10/74/75/169107475.db2.gz DIGLPSRPAGQEKV-VHSXEESVSA-N 0 0 191.299 3.545 10 30 AHEERN N#C[C@@H]1CCCC[C@@H]1c1cccs1 ZINC000062567618 169108650 /nfs/dbraw/zinc/10/86/50/169108650.db2.gz DIGLPSRPAGQEKV-UWVGGRQHSA-N 0 0 191.299 3.545 10 30 AHEERN C=C(C)c1ccc(Cl)c(C)c1 ZINC000066325665 166133216 /nfs/dbraw/zinc/13/32/16/166133216.db2.gz MAOUVPKUOXOEJR-UHFFFAOYSA-N 0 0 166.651 3.682 10 30 AHEERN CCCCC#Cc1ccc(C)cc1 ZINC000067733713 343411008 /nfs/dbraw/zinc/41/10/08/343411008.db2.gz QLLQUGHRMDUZCX-UHFFFAOYSA-N 0 0 172.271 3.537 10 30 AHEERN C=C(C)C12CC3CC(CC(C3)C1)C2 ZINC000070225623 166114540 /nfs/dbraw/zinc/11/45/40/166114540.db2.gz IATJIZFUHGLZBF-UHFFFAOYSA-N 0 0 176.303 3.779 10 30 AHEERN C=C1CCC(CCC)CC1 ZINC000070233059 166144177 /nfs/dbraw/zinc/14/41/77/166144177.db2.gz MCEJMRGWSULIIA-UHFFFAOYSA-N 0 0 138.254 3.533 10 30 AHEERN C=C1CCC(C(C)(C)C)CC1 ZINC000070233061 166144936 /nfs/dbraw/zinc/14/49/36/166144936.db2.gz IHNUKBZLLPOGDS-UHFFFAOYSA-N 0 0 152.281 3.779 10 30 AHEERN C=CCCNc1cccc(C(C)C)c1 ZINC000070591509 572239115 /nfs/dbraw/zinc/23/91/15/572239115.db2.gz YNVPELBPGLQJOQ-UHFFFAOYSA-N 0 0 189.302 3.798 10 30 AHEERN C=CCCC[C@@H]1C[C@H](CC)CCC1=O ZINC000070592963 571674865 /nfs/dbraw/zinc/67/48/65/571674865.db2.gz LKRQAVBGMSSCDF-VXGBXAGGSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCCC[C@@H]1C[C@@H](CC)CCC1=O ZINC000070592964 571675708 /nfs/dbraw/zinc/67/57/08/571675708.db2.gz LKRQAVBGMSSCDF-NWDGAFQWSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCCC[C@H]1C[C@H](CC)CCC1=O ZINC000070592965 571673189 /nfs/dbraw/zinc/67/31/89/571673189.db2.gz LKRQAVBGMSSCDF-NEPJUHHUSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCCC[C@H]1C[C@@H](CC)CCC1=O ZINC000070592966 571673464 /nfs/dbraw/zinc/67/34/64/571673464.db2.gz LKRQAVBGMSSCDF-RYUDHWBXSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCC[C@@H]1C[C@H](CCC)CCC1=O ZINC000070592975 571675028 /nfs/dbraw/zinc/67/50/28/571675028.db2.gz JZWURORNTHWQGT-VXGBXAGGSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCC[C@@H]1C[C@@H](CCC)CCC1=O ZINC000070592976 571673120 /nfs/dbraw/zinc/67/31/20/571673120.db2.gz JZWURORNTHWQGT-NWDGAFQWSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCC[C@H]1C[C@H](CCC)CCC1=O ZINC000070592977 571674647 /nfs/dbraw/zinc/67/46/47/571674647.db2.gz JZWURORNTHWQGT-NEPJUHHUSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCC[C@H]1C[C@@H](CCC)CCC1=O ZINC000070592978 571674465 /nfs/dbraw/zinc/67/44/65/571674465.db2.gz JZWURORNTHWQGT-RYUDHWBXSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCC[C@@H]1C[C@H](C(C)C)CCC1=O ZINC000070592991 571673901 /nfs/dbraw/zinc/67/39/01/571673901.db2.gz WQMCARDAGDYMLK-VXGBXAGGSA-N 0 0 194.318 3.594 10 30 AHEERN C=CCC[C@@H]1C[C@@H](C(C)C)CCC1=O ZINC000070592992 571674945 /nfs/dbraw/zinc/67/49/45/571674945.db2.gz WQMCARDAGDYMLK-NWDGAFQWSA-N 0 0 194.318 3.594 10 30 AHEERN C=CCC[C@H]1C[C@H](C(C)C)CCC1=O ZINC000070592993 571675207 /nfs/dbraw/zinc/67/52/07/571675207.db2.gz WQMCARDAGDYMLK-NEPJUHHUSA-N 0 0 194.318 3.594 10 30 AHEERN C=CCC[C@H]1C[C@@H](C(C)C)CCC1=O ZINC000070592994 571675639 /nfs/dbraw/zinc/67/56/39/571675639.db2.gz WQMCARDAGDYMLK-RYUDHWBXSA-N 0 0 194.318 3.594 10 30 AHEERN C=CCCCC(=O)c1ccc(C)cc1 ZINC000070593432 571674586 /nfs/dbraw/zinc/67/45/86/571674586.db2.gz TYBDGEIMUKOMKR-UHFFFAOYSA-N 0 0 188.270 3.534 10 30 AHEERN C=CCCCC(=O)c1ccccc1C ZINC000070593468 571675203 /nfs/dbraw/zinc/67/52/03/571675203.db2.gz AQOLQTPQFSMLMA-UHFFFAOYSA-N 0 0 188.270 3.534 10 30 AHEERN C=CCCCC(=O)c1cccc(C)c1 ZINC000070593470 571674409 /nfs/dbraw/zinc/67/44/09/571674409.db2.gz DAMWVVSLYBNHSF-UHFFFAOYSA-N 0 0 188.270 3.534 10 30 AHEERN C=CCCCC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000070593525 571674815 /nfs/dbraw/zinc/67/48/15/571674815.db2.gz XZDAUGQSYLARQR-NEPJUHHUSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCCCC(=O)[C@H]1CCC[C@H](C)C1 ZINC000070593526 571675701 /nfs/dbraw/zinc/67/57/01/571675701.db2.gz XZDAUGQSYLARQR-RYUDHWBXSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCCCC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000070593527 571675389 /nfs/dbraw/zinc/67/53/89/571675389.db2.gz XZDAUGQSYLARQR-VXGBXAGGSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCCCC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000070593528 571673671 /nfs/dbraw/zinc/67/36/71/571673671.db2.gz XZDAUGQSYLARQR-NWDGAFQWSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCCCC(=O)C1CCC(C)CC1 ZINC000070593530 571675303 /nfs/dbraw/zinc/67/53/03/571675303.db2.gz WIJJVQUCUSYGMC-UHFFFAOYSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCCC[C@@H](O)C1CCC(C)CC1 ZINC000070593837 571678082 /nfs/dbraw/zinc/67/80/82/571678082.db2.gz LAMHVPWJVSOJRC-WXRRBKDZSA-N 0 0 196.334 3.530 10 30 AHEERN C=CCCC[C@H](O)C1CCC(C)CC1 ZINC000070593838 571677891 /nfs/dbraw/zinc/67/78/91/571677891.db2.gz LAMHVPWJVSOJRC-BPCQOVAHSA-N 0 0 196.334 3.530 10 30 AHEERN C=CCCC[C@@H]1C[C@H](CC)CC[C@@H]1O ZINC000070595367 571680409 /nfs/dbraw/zinc/68/04/09/571680409.db2.gz CYZIFKNSGDFLJK-UPJWGTAASA-N 0 0 196.334 3.530 10 30 AHEERN C=CCCC[C@@H]1C[C@@H](CC)CC[C@@H]1O ZINC000070595368 571679410 /nfs/dbraw/zinc/67/94/10/571679410.db2.gz CYZIFKNSGDFLJK-XQQFMLRXSA-N 0 0 196.334 3.530 10 30 AHEERN C=CCCC[C@@H]1C[C@H](CC)CC[C@H]1O ZINC000070595369 571679779 /nfs/dbraw/zinc/67/97/79/571679779.db2.gz CYZIFKNSGDFLJK-JHJVBQTASA-N 0 0 196.334 3.530 10 30 AHEERN C=CCCC[C@@H]1C[C@@H](CC)CC[C@H]1O ZINC000070595370 571678640 /nfs/dbraw/zinc/67/86/40/571678640.db2.gz CYZIFKNSGDFLJK-YNEHKIRRSA-N 0 0 196.334 3.530 10 30 AHEERN C=CCC[C@@H]1C[C@H](CCC)CC[C@@H]1O ZINC000070595371 571679027 /nfs/dbraw/zinc/67/90/27/571679027.db2.gz FGAUXFBSSGTDCW-UPJWGTAASA-N 0 0 196.334 3.530 10 30 AHEERN C=CCC[C@@H]1C[C@@H](CCC)CC[C@@H]1O ZINC000070595372 571680096 /nfs/dbraw/zinc/68/00/96/571680096.db2.gz FGAUXFBSSGTDCW-XQQFMLRXSA-N 0 0 196.334 3.530 10 30 AHEERN C=CCC[C@@H]1C[C@H](CCC)CC[C@H]1O ZINC000070595373 571680721 /nfs/dbraw/zinc/68/07/21/571680721.db2.gz FGAUXFBSSGTDCW-JHJVBQTASA-N 0 0 196.334 3.530 10 30 AHEERN C=CCC[C@@H]1C[C@@H](CCC)CC[C@H]1O ZINC000070595374 571680168 /nfs/dbraw/zinc/68/01/68/571680168.db2.gz FGAUXFBSSGTDCW-YNEHKIRRSA-N 0 0 196.334 3.530 10 30 AHEERN CCCC[C@@H](CC)CCCC=O ZINC000070738946 571747400 /nfs/dbraw/zinc/74/74/00/571747400.db2.gz RXLQQDJGRATENU-LLVKDONJSA-N 0 0 170.296 3.572 10 30 AHEERN CCCC[C@H](CC)CCCC=O ZINC000070738947 571748089 /nfs/dbraw/zinc/74/80/89/571748089.db2.gz RXLQQDJGRATENU-NSHDSACASA-N 0 0 170.296 3.572 10 30 AHEERN C=CCCCCCC(=O)C(C)(C)C ZINC000070740091 571747436 /nfs/dbraw/zinc/74/74/36/571747436.db2.gz WOHCSSXFHSQMHE-UHFFFAOYSA-N 0 0 182.307 3.738 10 30 AHEERN C=CCCCCC[C@@H](O)C(C)(C)C ZINC000070779572 571756114 /nfs/dbraw/zinc/75/61/14/571756114.db2.gz GSHHGTMQNFOJFN-LLVKDONJSA-N 0 0 184.323 3.530 10 30 AHEERN C=CCCCCC[C@H](O)C(C)(C)C ZINC000070779576 571755760 /nfs/dbraw/zinc/75/57/60/571755760.db2.gz GSHHGTMQNFOJFN-NSHDSACASA-N 0 0 184.323 3.530 10 30 AHEERN C=CCCCn1c(C)cc2ccccc21 ZINC000071278126 571782047 /nfs/dbraw/zinc/78/20/47/571782047.db2.gz DYDOOTHGJVWAGE-UHFFFAOYSA-N 0 0 199.297 3.916 10 30 AHEERN CC#Cc1ccc(-c2ccccc2)cc1 ZINC000071340692 343552005 /nfs/dbraw/zinc/55/20/05/343552005.db2.gz IWCMDTYRWZFWNU-UHFFFAOYSA-N 0 0 192.261 3.725 10 30 AHEERN C=C(C)C(=O)c1ccc(C(C)C)cc1 ZINC000071500230 166115321 /nfs/dbraw/zinc/11/53/21/166115321.db2.gz PPXHXBZUJLGHOV-UHFFFAOYSA-N 0 0 188.270 3.569 10 30 AHEERN C=CC(=O)c1ccc([C@H](C)CC)cc1 ZINC000071500243 572157944 /nfs/dbraw/zinc/15/79/44/572157944.db2.gz UOBDEKGKDJPPJG-SNVBAGLBSA-N 0 0 188.270 3.569 10 30 AHEERN C=CC(=O)c1ccc([C@@H](C)CC)cc1 ZINC000071500245 572158590 /nfs/dbraw/zinc/15/85/90/572158590.db2.gz UOBDEKGKDJPPJG-JTQLQIEISA-N 0 0 188.270 3.569 10 30 AHEERN CC1CCC(C(C)(C)S)CC1 ZINC000072187402 343560217 /nfs/dbraw/zinc/56/02/17/343560217.db2.gz MEMRHINLFXUTEC-UHFFFAOYSA-N 0 0 172.337 3.521 10 30 AHEERN CCCCCCCC[C@@H](C)C#N ZINC000072399864 343569815 /nfs/dbraw/zinc/56/98/15/343569815.db2.gz XPCSGXMQGQGBKU-LLVKDONJSA-N 0 0 167.296 3.897 10 30 in-vitro AHEERN Cc1cccc(-c2cscc2C#N)c1 ZINC000074214873 572450105 /nfs/dbraw/zinc/45/01/05/572450105.db2.gz ABZHGETXYOENBA-UHFFFAOYSA-N 0 0 199.278 3.595 10 30 AHEERN C[C@@H](C#N)c1coc(-c2ccccc2)c1 ZINC000074240209 572470204 /nfs/dbraw/zinc/47/02/04/572470204.db2.gz DXSXFWMHZXWLCN-JTQLQIEISA-N 0 0 197.237 3.574 10 30 AHEERN C[C@H](C#N)c1coc(-c2ccccc2)c1 ZINC000074240211 572469019 /nfs/dbraw/zinc/46/90/19/572469019.db2.gz DXSXFWMHZXWLCN-SNVBAGLBSA-N 0 0 197.237 3.574 10 30 AHEERN CCC(CC)Cc1cscc1C#N ZINC000074247384 572496521 /nfs/dbraw/zinc/49/65/21/572496521.db2.gz SHBCHNYROFYURQ-UHFFFAOYSA-N 0 0 193.315 3.598 10 30 AHEERN CC(C)(C)c1ccsc1CCC#N ZINC000074247418 572495757 /nfs/dbraw/zinc/49/57/57/572495757.db2.gz RHNAZZBUBJSNDT-UHFFFAOYSA-N 0 0 193.315 3.502 10 30 AHEERN C=CCn1ccc2cc(C(C)C)ccc21 ZINC000075232801 571820882 /nfs/dbraw/zinc/82/08/82/571820882.db2.gz RYWXKBRANIFKQP-UHFFFAOYSA-N 0 0 199.297 3.951 10 30 AHEERN C=C(C)Cn1ccc2cc(CC)ccc21 ZINC000075233186 571820708 /nfs/dbraw/zinc/82/07/08/571820708.db2.gz XGEWAONLQIEZIH-UHFFFAOYSA-N 0 0 199.297 3.780 10 30 AHEERN C#CCCc1c(Cl)cccc1Cl ZINC000075421437 166018438 /nfs/dbraw/zinc/01/84/38/166018438.db2.gz KFZPJUKDQBVGGS-UHFFFAOYSA-N 0 0 199.080 3.559 10 30 AHEERN C#CCCc1ccc(Cl)cc1Cl ZINC000075421440 166018589 /nfs/dbraw/zinc/01/85/89/166018589.db2.gz WVPQXNPWXQWQAE-UHFFFAOYSA-N 0 0 199.080 3.559 10 30 AHEERN C#CCCc1ccc(Cl)c(Cl)c1 ZINC000075421448 166017466 /nfs/dbraw/zinc/01/74/66/166017466.db2.gz IQBSFKDOBZHKEE-UHFFFAOYSA-N 0 0 199.080 3.559 10 30 AHEERN C#CCCc1ccc(C(C)(C)C)cc1 ZINC000075421452 166019079 /nfs/dbraw/zinc/01/90/79/166019079.db2.gz NYSJOJCIHNKMOM-UHFFFAOYSA-N 0 0 186.298 3.550 10 30 AHEERN CCc1ccc2ccnc(N=[N+]=[N-])c2c1 ZINC000075422794 572846248 /nfs/dbraw/zinc/84/62/48/572846248.db2.gz CJMIJCWVYPEQKA-UHFFFAOYSA-N 0 0 198.229 3.739 10 30 AHEERN C=C[C@H](C)c1ccc2ccccc2c1N ZINC000075600077 572880754 /nfs/dbraw/zinc/88/07/54/572880754.db2.gz RZSPONIVXGYRGF-JTQLQIEISA-N 0 0 197.281 3.712 10 30 AHEERN C=C[C@@H](C)c1ccc2ccccc2c1N ZINC000075600080 572879656 /nfs/dbraw/zinc/87/96/56/572879656.db2.gz RZSPONIVXGYRGF-SNVBAGLBSA-N 0 0 197.281 3.712 10 30 AHEERN Cc1oc2ccccc2c1C(C)(C)C#N ZINC000075601296 572884898 /nfs/dbraw/zinc/88/48/98/572884898.db2.gz SAJVBZBORIDKHX-UHFFFAOYSA-N 0 0 199.253 3.542 10 30 AHEERN C=CCNc1ccc(C(C)C)c(C)c1 ZINC000075824448 166192864 /nfs/dbraw/zinc/19/28/64/166192864.db2.gz HAHYRFPELJXZBM-UHFFFAOYSA-N 0 0 189.302 3.716 10 30 AHEERN Cc1ccc(C#N)cc1C1CCCCC1 ZINC000075841580 572902909 /nfs/dbraw/zinc/90/29/09/572902909.db2.gz NBWMLRLQMBJBTH-UHFFFAOYSA-N 0 0 199.297 3.914 10 30 AHEERN CC(C)c1c2ccccc2oc1CC#N ZINC000077068065 572683872 /nfs/dbraw/zinc/68/38/72/572683872.db2.gz PWKWMZYJXGLFNW-UHFFFAOYSA-N 0 0 199.253 3.622 10 30 AHEERN CC(C)(C)c1c(C#N)oc2ccccc21 ZINC000077068197 572686193 /nfs/dbraw/zinc/68/61/93/572686193.db2.gz HQNAHELOAHFAEI-UHFFFAOYSA-N 0 0 199.253 3.602 10 30 AHEERN Cc1cccc2c1oc(C#N)c2C(C)C ZINC000077068650 572684560 /nfs/dbraw/zinc/68/45/60/572684560.db2.gz CTJDBIQUJBREGC-UHFFFAOYSA-N 0 0 199.253 3.736 10 30 AHEERN CCCc1c(C#N)oc2c1cccc2C ZINC000077068750 572681119 /nfs/dbraw/zinc/68/11/19/572681119.db2.gz YAQBRUJCRNENQD-UHFFFAOYSA-N 0 0 199.253 3.565 10 30 AHEERN CC(C)c1cc(CC#N)c(C(C)C)o1 ZINC000077078408 572712492 /nfs/dbraw/zinc/71/24/92/572712492.db2.gz YYTJCEVFTQRJPT-UHFFFAOYSA-N 0 0 191.274 3.592 10 30 AHEERN CC(C)c1cc(C#N)c(C(C)(C)C)o1 ZINC000077078481 572712226 /nfs/dbraw/zinc/71/22/26/572712226.db2.gz MAAXUMQMNRZBRE-UHFFFAOYSA-N 0 0 191.274 3.572 10 30 AHEERN Cc1sc(-c2ccccc2)cc1C#N ZINC000077093547 572735122 /nfs/dbraw/zinc/73/51/22/572735122.db2.gz GREUEZBYHGQVEB-UHFFFAOYSA-N 0 0 199.278 3.595 10 30 AHEERN CC(C)Sc1ccc(CS)cc1 ZINC000077296449 166566094 /nfs/dbraw/zinc/56/60/94/166566094.db2.gz ZVKSCHWENRIUEH-UHFFFAOYSA-N 0 0 198.356 3.617 10 30 AHEERN C=C(C)c1cccc(C(C)C)c1O ZINC000077301403 166131825 /nfs/dbraw/zinc/13/18/25/166131825.db2.gz GJROCIUTKTZPSH-UHFFFAOYSA-N 0 0 176.259 3.549 10 30 in-vitro AHEERN C=CCCCC(O)(CCC)CCC ZINC000077916392 572056405 /nfs/dbraw/zinc/05/64/05/572056405.db2.gz BKQGZHPQFPOPLC-UHFFFAOYSA-N 0 0 184.323 3.674 10 30 AHEERN CCCCCCCC(=O)C(C)(C)C ZINC000077922716 571831546 /nfs/dbraw/zinc/83/15/46/571831546.db2.gz VYQKBQPWMKITOI-UHFFFAOYSA-N 0 0 184.323 3.962 10 30 AHEERN C=CC[C@@H](C)CCc1ccccc1 ZINC000077979020 573268283 /nfs/dbraw/zinc/26/82/83/573268283.db2.gz CAYITGWIVVCCQF-GFCCVEGCSA-N 0 0 174.287 3.831 10 30 AHEERN C=CC[C@H](C)CCc1ccccc1 ZINC000077979023 573268223 /nfs/dbraw/zinc/26/82/23/573268223.db2.gz CAYITGWIVVCCQF-LBPRGKRZSA-N 0 0 174.287 3.831 10 30 AHEERN C#CC[C@H](C)c1ccc(CCC)cc1 ZINC000077990545 573268089 /nfs/dbraw/zinc/26/80/89/573268089.db2.gz TVLCJGGMYPGTKP-LBPRGKRZSA-N 0 0 186.298 3.766 10 30 AHEERN C#CC[C@@H](C)c1ccc(CCC)cc1 ZINC000077990547 573265713 /nfs/dbraw/zinc/26/57/13/573265713.db2.gz TVLCJGGMYPGTKP-GFCCVEGCSA-N 0 0 186.298 3.766 10 30 AHEERN CCCCC(C=O)(CC)CCCC ZINC000078327530 573216554 /nfs/dbraw/zinc/21/65/54/573216554.db2.gz KKWBWSAXENAMFL-UHFFFAOYSA-N 0 0 184.323 3.962 10 30 AHEERN C=C[C@H](C)Cc1ccc(CC)cc1 ZINC000078810138 574038310 /nfs/dbraw/zinc/03/83/10/574038310.db2.gz SCFXWENSRHYZRJ-NSHDSACASA-N 0 0 174.287 3.614 10 30 AHEERN C=C[C@@H](C)Cc1ccc(CC)cc1 ZINC000078810142 574039223 /nfs/dbraw/zinc/03/92/23/574039223.db2.gz SCFXWENSRHYZRJ-LLVKDONJSA-N 0 0 174.287 3.614 10 30 AHEERN C=C1C[C@H](C)CC[C@H]1C(C)C ZINC000078825344 343585903 /nfs/dbraw/zinc/58/59/03/343585903.db2.gz DEGNFHVRBRNTBM-KOLCDFICSA-N 0 0 152.281 3.635 10 30 AHEERN C=CCC12CC3CC(CC(C3)C1)C2 ZINC000079031199 166164687 /nfs/dbraw/zinc/16/46/87/166164687.db2.gz GTTBINDPHWHJKF-UHFFFAOYSA-N 0 0 176.303 3.779 10 30 AHEERN C#C/C=C/CCCCCCCC ZINC000079375395 343586961 /nfs/dbraw/zinc/58/69/61/343586961.db2.gz VQZGBGFNRFCWOH-FNORWQNLSA-N 0 0 164.292 3.926 10 30 AHEERN CCCCCCC[C@@H](C)S ZINC000079383682 343587036 /nfs/dbraw/zinc/58/70/36/343587036.db2.gz UOMSUBPWUZCGQU-SECBINFHSA-N 0 0 160.326 3.665 10 30 AHEERN CCCCCCC[C@H](C)S ZINC000079383685 343586714 /nfs/dbraw/zinc/58/67/14/343586714.db2.gz UOMSUBPWUZCGQU-VIFPVBQESA-N 0 0 160.326 3.665 10 30 AHEERN C=C(C1CCCC1)C(C)(C)C ZINC000079669961 166133273 /nfs/dbraw/zinc/13/32/73/166133273.db2.gz MLWDMLXNLXYFBE-UHFFFAOYSA-N 0 0 152.281 3.779 10 30 AHEERN CCCCCCCOCCCCC#N ZINC000079717441 571957035 /nfs/dbraw/zinc/95/70/35/571957035.db2.gz WAEHIRQVGUMWHL-UHFFFAOYSA-N 0 0 197.322 3.667 10 30 AHEERN C=C(C)CCCC[C@@H](O)C(C)(C)C ZINC000079741281 571953160 /nfs/dbraw/zinc/95/31/60/571953160.db2.gz XZBAJCBHBVOCQN-LLVKDONJSA-N 0 0 184.323 3.530 10 30 AHEERN CCCC[C@H](S)c1ccccc1 ZINC000080066191 631156622 /nfs/dbraw/zinc/15/66/22/631156622.db2.gz VEWXSFGQEGQOAK-NSHDSACASA-N 0 0 180.316 3.848 10 30 AHEERN CCCC[C@@H](S)c1ccccc1 ZINC000080066197 629908258 /nfs/dbraw/zinc/90/82/58/629908258.db2.gz VEWXSFGQEGQOAK-LLVKDONJSA-N 0 0 180.316 3.848 10 30 AHEERN C=C/C=C/CCCCCC ZINC000080211535 343591175 /nfs/dbraw/zinc/59/11/75/343591175.db2.gz YHHHHJCAVQSFMJ-FNORWQNLSA-N 0 0 138.254 3.699 10 30 AHEERN C=CCc1cccc(C2CCC2)c1 ZINC000080447594 537879032 /nfs/dbraw/zinc/87/90/32/537879032.db2.gz ZCOJFLPVYYTLQS-UHFFFAOYSA-N 0 0 172.271 3.683 10 30 AHEERN CCCCCCC/C=C\CC(C)=O ZINC000082053937 343595085 /nfs/dbraw/zinc/59/50/85/343595085.db2.gz SNSAFZXASVXYNM-KTKRTIGZSA-N 0 0 182.307 3.882 10 30 AHEERN C=CCC(C)(C)c1ccccc1 ZINC000082095495 573985181 /nfs/dbraw/zinc/98/51/81/573985181.db2.gz YLBHGHGDDAJFJU-UHFFFAOYSA-N 0 0 160.260 3.540 10 30 AHEERN C=CC[C@@H](C)CCC=C(C)C ZINC000082124031 343595595 /nfs/dbraw/zinc/59/55/95/343595595.db2.gz WJBLCSOLILMHEZ-LLVKDONJSA-N 0 0 152.281 3.945 10 30 AHEERN CC(C)(C)SCCCCCS ZINC000082142527 573987567 /nfs/dbraw/zinc/98/75/67/573987567.db2.gz BWECFNVUDVRUFC-UHFFFAOYSA-N 0 0 192.393 3.618 10 30 AHEERN C[C@@H](CC(=O)C1=CCCC1)C(C)(C)C ZINC000082628111 572077434 /nfs/dbraw/zinc/07/74/34/572077434.db2.gz BBUSNUQBGGEFIS-JTQLQIEISA-N 0 0 194.318 3.738 10 30 AHEERN C[C@H](CC(=O)C1=CCCC1)C(C)(C)C ZINC000082628112 572076377 /nfs/dbraw/zinc/07/63/77/572076377.db2.gz BBUSNUQBGGEFIS-SNVBAGLBSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(Cc1ccccc1)c1ccccc1 ZINC000082762071 572099601 /nfs/dbraw/zinc/09/96/01/572099601.db2.gz KNOSFUPOBWJKGG-UHFFFAOYSA-N 0 0 194.277 3.943 10 30 AHEERN C=C1CCC(c2ccccc2)CC1 ZINC000082762087 343612063 /nfs/dbraw/zinc/61/20/63/343612063.db2.gz DCFWWUVUVQVGLC-UHFFFAOYSA-N 0 0 172.271 3.900 10 30 AHEERN C=C(CC)c1ccc(Cl)cc1 ZINC000082762103 166134369 /nfs/dbraw/zinc/13/43/69/166134369.db2.gz JOKOHULXBGRGNF-UHFFFAOYSA-N 0 0 166.651 3.763 10 30 AHEERN C=CCCCOc1ccccc1CC ZINC000082865314 572161471 /nfs/dbraw/zinc/16/14/71/572161471.db2.gz GRIIJMFCAPPKQR-UHFFFAOYSA-N 0 0 190.286 3.594 10 30 AHEERN C=CCCOc1ccc(C(C)C)cc1 ZINC000082865334 572161270 /nfs/dbraw/zinc/16/12/70/572161270.db2.gz LUIKBKMOOOGOIQ-UHFFFAOYSA-N 0 0 190.286 3.765 10 30 AHEERN C=C[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000082865338 572161720 /nfs/dbraw/zinc/16/17/20/572161720.db2.gz FWGZSBYWPBYOAM-LLVKDONJSA-N 0 0 190.286 3.763 10 30 AHEERN C=C[C@H](C)Oc1ccccc1C(C)C ZINC000082865346 572160757 /nfs/dbraw/zinc/16/07/57/572160757.db2.gz NPXOAHZXGBWCRR-NSHDSACASA-N 0 0 190.286 3.763 10 30 AHEERN C=C[C@@H](C)Oc1ccccc1C(C)C ZINC000082865347 572161003 /nfs/dbraw/zinc/16/10/03/572161003.db2.gz NPXOAHZXGBWCRR-LLVKDONJSA-N 0 0 190.286 3.763 10 30 AHEERN CCC[C@@H]1CCC[C@H](S)CC1 ZINC000083437264 573504269 /nfs/dbraw/zinc/50/42/69/573504269.db2.gz KALXBVCCFWLFOT-ZJUUUORDSA-N 0 0 172.337 3.665 10 30 AHEERN CCC[C@H]1CCC[C@H](S)CC1 ZINC000083437265 573504734 /nfs/dbraw/zinc/50/47/34/573504734.db2.gz KALXBVCCFWLFOT-UWVGGRQHSA-N 0 0 172.337 3.665 10 30 AHEERN CCC[C@@H]1CCC[C@@H](S)CC1 ZINC000083437266 573506647 /nfs/dbraw/zinc/50/66/47/573506647.db2.gz KALXBVCCFWLFOT-NXEZZACHSA-N 0 0 172.337 3.665 10 30 AHEERN CCC[C@H]1CCC[C@@H](S)CC1 ZINC000083437267 573503899 /nfs/dbraw/zinc/50/38/99/573503899.db2.gz KALXBVCCFWLFOT-VHSXEESVSA-N 0 0 172.337 3.665 10 30 AHEERN CC(C)[C@@H]1CCC[C@H](S)CC1 ZINC000083437268 573506264 /nfs/dbraw/zinc/50/62/64/573506264.db2.gz GZRZRMWQBGQQJX-ZJUUUORDSA-N 0 0 172.337 3.521 10 30 AHEERN CC(C)[C@H]1CCC[C@H](S)CC1 ZINC000083437269 573505691 /nfs/dbraw/zinc/50/56/91/573505691.db2.gz GZRZRMWQBGQQJX-UWVGGRQHSA-N 0 0 172.337 3.521 10 30 AHEERN CC(C)[C@@H]1CCC[C@@H](S)CC1 ZINC000083437270 573507280 /nfs/dbraw/zinc/50/72/80/573507280.db2.gz GZRZRMWQBGQQJX-NXEZZACHSA-N 0 0 172.337 3.521 10 30 AHEERN CC(C)[C@H]1CCC[C@@H](S)CC1 ZINC000083437271 573505304 /nfs/dbraw/zinc/50/53/04/573505304.db2.gz GZRZRMWQBGQQJX-VHSXEESVSA-N 0 0 172.337 3.521 10 30 AHEERN CCC[C@@H]1CCC[C@H](C#N)CC1 ZINC000083437308 573507582 /nfs/dbraw/zinc/50/75/82/573507582.db2.gz QZYMNPMFEBHTSN-MNOVXSKESA-N 0 0 165.280 3.507 10 30 AHEERN CCC[C@H]1CCC[C@H](C#N)CC1 ZINC000083437309 573504102 /nfs/dbraw/zinc/50/41/02/573504102.db2.gz QZYMNPMFEBHTSN-QWRGUYRKSA-N 0 0 165.280 3.507 10 30 AHEERN CCC[C@@H]1CCC[C@@H](C#N)CC1 ZINC000083437310 573503658 /nfs/dbraw/zinc/50/36/58/573503658.db2.gz QZYMNPMFEBHTSN-GHMZBOCLSA-N 0 0 165.280 3.507 10 30 AHEERN CCC[C@H]1CCC[C@@H](C#N)CC1 ZINC000083437311 573503459 /nfs/dbraw/zinc/50/34/59/573503459.db2.gz QZYMNPMFEBHTSN-WDEREUQCSA-N 0 0 165.280 3.507 10 30 AHEERN CCC[C@@H]1CCC[C@](Cl)(C#N)CC1 ZINC000083438234 573506540 /nfs/dbraw/zinc/50/65/40/573506540.db2.gz DAVAPWZSHGZQFS-GHMZBOCLSA-N 0 0 199.725 3.868 10 30 AHEERN CCC[C@H]1CCC[C@](Cl)(C#N)CC1 ZINC000083438235 573503980 /nfs/dbraw/zinc/50/39/80/573503980.db2.gz DAVAPWZSHGZQFS-WDEREUQCSA-N 0 0 199.725 3.868 10 30 AHEERN CCC[C@@H]1CCC[C@@](Cl)(C#N)CC1 ZINC000083438236 573503158 /nfs/dbraw/zinc/50/31/58/573503158.db2.gz DAVAPWZSHGZQFS-MNOVXSKESA-N 0 0 199.725 3.868 10 30 AHEERN CCC[C@H]1CCC[C@@](Cl)(C#N)CC1 ZINC000083438237 573503224 /nfs/dbraw/zinc/50/32/24/573503224.db2.gz DAVAPWZSHGZQFS-QWRGUYRKSA-N 0 0 199.725 3.868 10 30 AHEERN CC(C)[C@@H]1CCC[C@](Cl)(C#N)CC1 ZINC000083438238 573506960 /nfs/dbraw/zinc/50/69/60/573506960.db2.gz IVRBLYFSPQPWIH-GHMZBOCLSA-N 0 0 199.725 3.724 10 30 AHEERN CC(C)[C@H]1CCC[C@](Cl)(C#N)CC1 ZINC000083438239 573507673 /nfs/dbraw/zinc/50/76/73/573507673.db2.gz IVRBLYFSPQPWIH-WDEREUQCSA-N 0 0 199.725 3.724 10 30 AHEERN CC(C)[C@@H]1CCC[C@@](Cl)(C#N)CC1 ZINC000083438240 573505241 /nfs/dbraw/zinc/50/52/41/573505241.db2.gz IVRBLYFSPQPWIH-MNOVXSKESA-N 0 0 199.725 3.724 10 30 AHEERN CC(C)[C@H]1CCC[C@@](Cl)(C#N)CC1 ZINC000083438241 573504743 /nfs/dbraw/zinc/50/47/43/573504743.db2.gz IVRBLYFSPQPWIH-QWRGUYRKSA-N 0 0 199.725 3.724 10 30 AHEERN CC(C)(C)[C@@H]1CCC[C@H](S)CC1 ZINC000083438548 573511192 /nfs/dbraw/zinc/51/11/92/573511192.db2.gz CUFKINBFIMLCLR-ZJUUUORDSA-N 0 0 186.364 3.911 10 30 AHEERN CC(C)(C)[C@H]1CCC[C@H](S)CC1 ZINC000083438549 573509046 /nfs/dbraw/zinc/50/90/46/573509046.db2.gz CUFKINBFIMLCLR-UWVGGRQHSA-N 0 0 186.364 3.911 10 30 AHEERN CC(C)(C)[C@@H]1CCC[C@@H](S)CC1 ZINC000083438550 573511286 /nfs/dbraw/zinc/51/12/86/573511286.db2.gz CUFKINBFIMLCLR-NXEZZACHSA-N 0 0 186.364 3.911 10 30 AHEERN CC(C)(C)[C@H]1CCC[C@@H](S)CC1 ZINC000083438551 573508791 /nfs/dbraw/zinc/50/87/91/573508791.db2.gz CUFKINBFIMLCLR-VHSXEESVSA-N 0 0 186.364 3.911 10 30 AHEERN CC(C)(C)[C@@H]1CCC[C@H](C#N)CC1 ZINC000083438552 573512999 /nfs/dbraw/zinc/51/29/99/573512999.db2.gz UEPSTYSRKXYJMQ-WDEREUQCSA-N 0 0 179.307 3.753 10 30 AHEERN CC(C)(C)[C@H]1CCC[C@H](C#N)CC1 ZINC000083438553 573508887 /nfs/dbraw/zinc/50/88/87/573508887.db2.gz UEPSTYSRKXYJMQ-QWRGUYRKSA-N 0 0 179.307 3.753 10 30 AHEERN CC(C)(C)[C@@H]1CCC[C@@H](C#N)CC1 ZINC000083438554 573511580 /nfs/dbraw/zinc/51/15/80/573511580.db2.gz UEPSTYSRKXYJMQ-GHMZBOCLSA-N 0 0 179.307 3.753 10 30 AHEERN CC(C)(C)[C@H]1CCC[C@@H](C#N)CC1 ZINC000083438555 573510099 /nfs/dbraw/zinc/51/00/99/573510099.db2.gz UEPSTYSRKXYJMQ-MNOVXSKESA-N 0 0 179.307 3.753 10 30 AHEERN CCSC1(C#N)CC(CC)(CC)C1 ZINC000083484376 572225140 /nfs/dbraw/zinc/22/51/40/572225140.db2.gz RZVQVJRGOPXDOC-UHFFFAOYSA-N 0 0 197.347 3.602 10 30 AHEERN CCCC(C#N)(CCC)SCC ZINC000083484390 572225142 /nfs/dbraw/zinc/22/51/42/572225142.db2.gz BSEXSZXAPKTBDZ-UHFFFAOYSA-N 0 0 185.336 3.602 10 30 AHEERN CCCSC1(C#N)CC(CCC)C1 ZINC000083486557 572226598 /nfs/dbraw/zinc/22/65/98/572226598.db2.gz VHQNSMMAWFHUJX-UHFFFAOYSA-N 0 0 197.347 3.602 10 30 AHEERN CCCSC1(C#N)CCCCCC1 ZINC000083486573 573530052 /nfs/dbraw/zinc/53/00/52/573530052.db2.gz LWRPRGCPVUZUDC-UHFFFAOYSA-N 0 0 197.347 3.746 10 30 AHEERN CCCSC(C#N)(CCC)CCC ZINC000083486574 572226662 /nfs/dbraw/zinc/22/66/62/572226662.db2.gz ZJANGKWFFRRAIF-UHFFFAOYSA-N 0 0 199.363 3.992 10 30 AHEERN CCCC1CC(C#N)(SC(C)C)C1 ZINC000083488313 572226849 /nfs/dbraw/zinc/22/68/49/572226849.db2.gz QOGFYQFPAXDHGQ-UHFFFAOYSA-N 0 0 197.347 3.600 10 30 AHEERN CC(C)SC1(C#N)CCCCCC1 ZINC000083488329 573533258 /nfs/dbraw/zinc/53/32/58/573533258.db2.gz NFVUSKRAGFXFBO-UHFFFAOYSA-N 0 0 197.347 3.745 10 30 AHEERN CCCC(C#N)(CCC)SC(C)C ZINC000083488330 572225596 /nfs/dbraw/zinc/22/55/96/572225596.db2.gz KWNLCFGXAOOUSP-UHFFFAOYSA-N 0 0 199.363 3.991 10 30 AHEERN CC(C)(C)SC1(C#N)CCCCC1 ZINC000083489998 573532900 /nfs/dbraw/zinc/53/29/00/573532900.db2.gz VRUTZJFGWYLSQO-UHFFFAOYSA-N 0 0 197.347 3.745 10 30 AHEERN CCC(C#N)(CC)SC(C)(C)C ZINC000083490006 572227592 /nfs/dbraw/zinc/22/75/92/572227592.db2.gz FZMYAAXXLKYPLY-UHFFFAOYSA-N 0 0 185.336 3.600 10 30 AHEERN CCC1CC(C#N)(SC(C)(C)C)C1 ZINC000083490007 573532107 /nfs/dbraw/zinc/53/21/07/573532107.db2.gz HKFWQSVUDCFSGB-UHFFFAOYSA-N 0 0 197.347 3.600 10 30 AHEERN CC(C)(C)SC1(C#N)CC(C)(C)C1 ZINC000083490009 573535172 /nfs/dbraw/zinc/53/51/72/573535172.db2.gz FUCUTPANRKBAJJ-UHFFFAOYSA-N 0 0 197.347 3.600 10 30 AHEERN CC(C)CSC1(C#N)CCCCC1 ZINC000083491222 573532070 /nfs/dbraw/zinc/53/20/70/573532070.db2.gz BBPSBTQYDYBPRN-UHFFFAOYSA-N 0 0 197.347 3.602 10 30 AHEERN CC[C@@H](C)SC1(C#N)CCCCC1 ZINC000083498087 573532302 /nfs/dbraw/zinc/53/23/02/573532302.db2.gz VQKWEYYVUYLXJT-SNVBAGLBSA-N 0 0 197.347 3.745 10 30 AHEERN CC[C@H](C)SC1(C#N)CCCCC1 ZINC000083498088 573535740 /nfs/dbraw/zinc/53/57/40/573535740.db2.gz VQKWEYYVUYLXJT-JTQLQIEISA-N 0 0 197.347 3.745 10 30 AHEERN CC[C@@H](C)SC(C#N)(CC)CC ZINC000083498103 572232894 /nfs/dbraw/zinc/23/28/94/572232894.db2.gz LXHJELKMUZNCKP-SECBINFHSA-N 0 0 185.336 3.600 10 30 AHEERN CC[C@H](C)SC(C#N)(CC)CC ZINC000083498104 572233393 /nfs/dbraw/zinc/23/33/93/572233393.db2.gz LXHJELKMUZNCKP-VIFPVBQESA-N 0 0 185.336 3.600 10 30 AHEERN CC[C@H](C)SC1(C#N)CC(CC)C1 ZINC000083498105 572232940 /nfs/dbraw/zinc/23/29/40/572232940.db2.gz WCBKEONUSKDESN-WHXUTIOJSA-N 0 0 197.347 3.600 10 30 AHEERN CC[C@@H](C)SC1(C#N)CC(CC)C1 ZINC000083498106 572233528 /nfs/dbraw/zinc/23/35/28/572233528.db2.gz WCBKEONUSKDESN-KPPDAEKUSA-N 0 0 197.347 3.600 10 30 AHEERN CC[C@@H](C)SC1(C#N)CC(C)(C)C1 ZINC000083498109 573534818 /nfs/dbraw/zinc/53/48/18/573534818.db2.gz RKAGVLQQCOZCIQ-SECBINFHSA-N 0 0 197.347 3.600 10 30 AHEERN CC[C@H](C)SC1(C#N)CC(C)(C)C1 ZINC000083498110 573533284 /nfs/dbraw/zinc/53/32/84/573533284.db2.gz RKAGVLQQCOZCIQ-VIFPVBQESA-N 0 0 197.347 3.600 10 30 AHEERN CCC(C#N)(CC)SC1CCCC1 ZINC000083500335 572232816 /nfs/dbraw/zinc/23/28/16/572232816.db2.gz MMVDAVSCUMLREX-UHFFFAOYSA-N 0 0 197.347 3.745 10 30 AHEERN CCCCCC1=CC(=O)CC(C)(C)C1 ZINC000083546632 572330238 /nfs/dbraw/zinc/33/02/38/572330238.db2.gz HPJGZIFONNFYRI-UHFFFAOYSA-N 0 0 194.318 3.882 10 30 AHEERN CCCC[C@@H](CC)CC1=CC(=O)CC1 ZINC000083547819 572330205 /nfs/dbraw/zinc/33/02/05/572330205.db2.gz HPGZOVBEYRJJBW-LLVKDONJSA-N 0 0 194.318 3.882 10 30 AHEERN CCCC[C@H](CC)CC1=CC(=O)CC1 ZINC000083547821 572330961 /nfs/dbraw/zinc/33/09/61/572330961.db2.gz HPGZOVBEYRJJBW-NSHDSACASA-N 0 0 194.318 3.882 10 30 AHEERN CCCCCCOCCC(C)(C)C#N ZINC000083640597 572363127 /nfs/dbraw/zinc/36/31/27/572363127.db2.gz XZBQSIPTLIZGCI-UHFFFAOYSA-N 0 0 197.322 3.523 10 30 AHEERN CCCCC1(C#N)CCCCC1 ZINC000083775507 573624222 /nfs/dbraw/zinc/62/42/22/573624222.db2.gz SCDVAKPCCCXTGU-UHFFFAOYSA-N 0 0 165.280 3.651 10 30 AHEERN CC(C)CCC1(C#N)CCCCC1 ZINC000083775516 573625558 /nfs/dbraw/zinc/62/55/58/573625558.db2.gz HWWVSFHSAZUZPE-UHFFFAOYSA-N 0 0 179.307 3.897 10 30 AHEERN CC(C)CC1(C#N)CCCCC1 ZINC000083775517 573622118 /nfs/dbraw/zinc/62/21/18/573622118.db2.gz GZYZBSLVIRZNFY-UHFFFAOYSA-N 0 0 165.280 3.507 10 30 AHEERN CC[C@@H](C)CC1(C#N)CCCCC1 ZINC000083775544 573625052 /nfs/dbraw/zinc/62/50/52/573625052.db2.gz CWMRLRCOIZSVLB-LLVKDONJSA-N 0 0 179.307 3.897 10 30 AHEERN CC[C@H](C)CC1(C#N)CCCCC1 ZINC000083775545 573625741 /nfs/dbraw/zinc/62/57/41/573625741.db2.gz CWMRLRCOIZSVLB-NSHDSACASA-N 0 0 179.307 3.897 10 30 AHEERN CCCCCCC(C)(C)C#N ZINC000083775561 572406330 /nfs/dbraw/zinc/40/63/30/572406330.db2.gz YIQWQEOMCPOMLR-UHFFFAOYSA-N 0 0 153.269 3.507 10 30 AHEERN CCCCCC1(C#N)CCCC1 ZINC000083775631 572404068 /nfs/dbraw/zinc/40/40/68/572404068.db2.gz IGDXTXJMJZZYIA-UHFFFAOYSA-N 0 0 165.280 3.651 10 30 AHEERN Cc1ccc(CC2(C#N)CCCC2)cc1 ZINC000083775643 572404800 /nfs/dbraw/zinc/40/48/00/572404800.db2.gz OLXDNCFHOVKAKH-UHFFFAOYSA-N 0 0 199.297 3.622 10 30 AHEERN Cc1ccccc1CC1(C#N)CCCC1 ZINC000083775644 572406813 /nfs/dbraw/zinc/40/68/13/572406813.db2.gz IZCRDDKIGSWZNC-UHFFFAOYSA-N 0 0 199.297 3.622 10 30 AHEERN CC(C)CCC1(C#N)CCCC1 ZINC000083775645 573624487 /nfs/dbraw/zinc/62/44/87/573624487.db2.gz NRFWHLAKDWZVOG-UHFFFAOYSA-N 0 0 165.280 3.507 10 30 AHEERN CC(C)(C)CCC1(C#N)CCCC1 ZINC000083775656 573623304 /nfs/dbraw/zinc/62/33/04/573623304.db2.gz KAHCIIZBULGEAA-UHFFFAOYSA-N 0 0 179.307 3.897 10 30 AHEERN N#CC1(CC2CCCC2)CCCC1 ZINC000083775686 573623803 /nfs/dbraw/zinc/62/38/03/573623803.db2.gz ZHWAPNYVTGCNDD-UHFFFAOYSA-N 0 0 177.291 3.651 10 30 AHEERN CC[C@@H](C)CC1(C#N)CCCC1 ZINC000083775694 573623859 /nfs/dbraw/zinc/62/38/59/573623859.db2.gz WHIMJLGJEGGCCL-SNVBAGLBSA-N 0 0 165.280 3.507 10 30 AHEERN CC[C@H](C)CC1(C#N)CCCC1 ZINC000083775695 573623006 /nfs/dbraw/zinc/62/30/06/573623006.db2.gz WHIMJLGJEGGCCL-JTQLQIEISA-N 0 0 165.280 3.507 10 30 AHEERN Cc1cccc(CC2(C#N)CCCC2)c1 ZINC000083775706 572404439 /nfs/dbraw/zinc/40/44/39/572404439.db2.gz ZXXLOWWOUBFEAI-UHFFFAOYSA-N 0 0 199.297 3.622 10 30 AHEERN CCC[C@@H](C)CC1(C#N)CCCC1 ZINC000083775707 572405725 /nfs/dbraw/zinc/40/57/25/572405725.db2.gz LWCHRPWABJCJKH-LLVKDONJSA-N 0 0 179.307 3.897 10 30 AHEERN CCC[C@H](C)CC1(C#N)CCCC1 ZINC000083775708 572405304 /nfs/dbraw/zinc/40/53/04/572405304.db2.gz LWCHRPWABJCJKH-NSHDSACASA-N 0 0 179.307 3.897 10 30 AHEERN CCC[C@]1(C#N)CCCc2ccccc21 ZINC000083775725 572405930 /nfs/dbraw/zinc/40/59/30/572405930.db2.gz JBUOXUKPCUNNBK-CQSZACIVSA-N 0 0 199.297 3.584 10 30 AHEERN CCC[C@@]1(C#N)CCCc2ccccc21 ZINC000083775726 572406003 /nfs/dbraw/zinc/40/60/03/572406003.db2.gz JBUOXUKPCUNNBK-AWEZNQCLSA-N 0 0 199.297 3.584 10 30 AHEERN CCCCCC[C@](C)(C#N)CC ZINC000083775733 572406571 /nfs/dbraw/zinc/40/65/71/572406571.db2.gz SYMSYOAQEQPHHZ-LLVKDONJSA-N 0 0 167.296 3.897 10 30 AHEERN CCCCCC[C@@](C)(C#N)CC ZINC000083775734 572406627 /nfs/dbraw/zinc/40/66/27/572406627.db2.gz SYMSYOAQEQPHHZ-NSHDSACASA-N 0 0 167.296 3.897 10 30 AHEERN CCCCC[C@](C)(C#N)CC ZINC000083775735 572406502 /nfs/dbraw/zinc/40/65/02/572406502.db2.gz GNCXLQSFIULGCQ-SNVBAGLBSA-N 0 0 153.269 3.507 10 30 AHEERN CCCCC[C@@](C)(C#N)CC ZINC000083775736 572404761 /nfs/dbraw/zinc/40/47/61/572404761.db2.gz GNCXLQSFIULGCQ-JTQLQIEISA-N 0 0 153.269 3.507 10 30 AHEERN CC[C@](C)(C#N)CCc1ccsc1 ZINC000083775793 572406906 /nfs/dbraw/zinc/40/69/06/572406906.db2.gz GMVWPLFRTAIVNH-NSHDSACASA-N 0 0 193.315 3.621 10 30 AHEERN CC[C@@](C)(C#N)CCc1ccsc1 ZINC000083775794 572405049 /nfs/dbraw/zinc/40/50/49/572405049.db2.gz GMVWPLFRTAIVNH-LLVKDONJSA-N 0 0 193.315 3.621 10 30 AHEERN CC[C@](C)(C#N)CCC(C)(C)C ZINC000083775795 572404598 /nfs/dbraw/zinc/40/45/98/572404598.db2.gz JYIBLWKWZFTLEO-NSHDSACASA-N 0 0 167.296 3.753 10 30 AHEERN CC[C@@](C)(C#N)CCC(C)(C)C ZINC000083775796 572405890 /nfs/dbraw/zinc/40/58/90/572405890.db2.gz JYIBLWKWZFTLEO-LLVKDONJSA-N 0 0 167.296 3.753 10 30 AHEERN CC[C@](C)(C#N)CCc1cccs1 ZINC000083775807 572407012 /nfs/dbraw/zinc/40/70/12/572407012.db2.gz PIXAWXSPTOODPW-NSHDSACASA-N 0 0 193.315 3.621 10 30 AHEERN CC[C@@](C)(C#N)CCc1cccs1 ZINC000083775808 572406407 /nfs/dbraw/zinc/40/64/07/572406407.db2.gz PIXAWXSPTOODPW-LLVKDONJSA-N 0 0 193.315 3.621 10 30 AHEERN CC[C@](C)(C#N)CC1CCCC1 ZINC000083775873 573625494 /nfs/dbraw/zinc/62/54/94/573625494.db2.gz LAOLHHVNVYRBFQ-NSHDSACASA-N 0 0 165.280 3.507 10 30 AHEERN CC[C@@](C)(C#N)CC1CCCC1 ZINC000083775874 573623659 /nfs/dbraw/zinc/62/36/59/573623659.db2.gz LAOLHHVNVYRBFQ-LLVKDONJSA-N 0 0 165.280 3.507 10 30 AHEERN CCC[C@@H](C)C[C@](C)(C#N)CC ZINC000083775923 572405024 /nfs/dbraw/zinc/40/50/24/572405024.db2.gz OOWMKOAGVBOVOH-GHMZBOCLSA-N 0 0 167.296 3.753 10 30 AHEERN CCC[C@H](C)C[C@](C)(C#N)CC ZINC000083775924 572404558 /nfs/dbraw/zinc/40/45/58/572404558.db2.gz OOWMKOAGVBOVOH-WDEREUQCSA-N 0 0 167.296 3.753 10 30 AHEERN CCC[C@@H](C)C[C@@](C)(C#N)CC ZINC000083775925 572404573 /nfs/dbraw/zinc/40/45/73/572404573.db2.gz OOWMKOAGVBOVOH-MNOVXSKESA-N 0 0 167.296 3.753 10 30 AHEERN CCC[C@H](C)C[C@@](C)(C#N)CC ZINC000083775926 572404552 /nfs/dbraw/zinc/40/45/52/572404552.db2.gz OOWMKOAGVBOVOH-QWRGUYRKSA-N 0 0 167.296 3.753 10 30 AHEERN CCCCCCC1(C#N)CCC1 ZINC000083775941 572404128 /nfs/dbraw/zinc/40/41/28/572404128.db2.gz LRIZAMKXNYHIQF-UHFFFAOYSA-N 0 0 165.280 3.651 10 30 AHEERN Cc1ccc(CC2(C#N)CCC2)cc1C ZINC000083775952 572405990 /nfs/dbraw/zinc/40/59/90/572405990.db2.gz KEKVJHVXADRQDS-UHFFFAOYSA-N 0 0 199.297 3.540 10 30 AHEERN CC(C)(C)CCC1(C#N)CCC1 ZINC000083775974 573625182 /nfs/dbraw/zinc/62/51/82/573625182.db2.gz QCTNQUASDZKPBK-UHFFFAOYSA-N 0 0 165.280 3.507 10 30 AHEERN Cc1ccc(C)c(CC2(C#N)CCC2)c1 ZINC000083775975 572406831 /nfs/dbraw/zinc/40/68/31/572406831.db2.gz DUPMADMKZQSYLR-UHFFFAOYSA-N 0 0 199.297 3.540 10 30 AHEERN N#CC1(CCCc2ccccc2)CCC1 ZINC000083776027 572405875 /nfs/dbraw/zinc/40/58/75/572405875.db2.gz CUUQZYWGNPYUFB-UHFFFAOYSA-N 0 0 199.297 3.703 10 30 AHEERN CCC[C@@H](C)CC1(C#N)CCC1 ZINC000083776035 572406810 /nfs/dbraw/zinc/40/68/10/572406810.db2.gz NVDWBUFANLJVLM-SNVBAGLBSA-N 0 0 165.280 3.507 10 30 AHEERN CCC[C@H](C)CC1(C#N)CCC1 ZINC000083776036 572404675 /nfs/dbraw/zinc/40/46/75/572404675.db2.gz NVDWBUFANLJVLM-JTQLQIEISA-N 0 0 165.280 3.507 10 30 AHEERN Cc1cc(C)cc(CC2(C#N)CCC2)c1 ZINC000083776038 572406985 /nfs/dbraw/zinc/40/69/85/572406985.db2.gz BJFGIRBZWWLPNK-UHFFFAOYSA-N 0 0 199.297 3.540 10 30 AHEERN CCCC[C@]1(C#N)CCC[C@H](C)C1 ZINC000083776083 573621697 /nfs/dbraw/zinc/62/16/97/573621697.db2.gz YZYWEQRCBIWKEX-RYUDHWBXSA-N 0 0 179.307 3.897 10 30 AHEERN CCCC[C@@]1(C#N)CCC[C@H](C)C1 ZINC000083776084 573625809 /nfs/dbraw/zinc/62/58/09/573625809.db2.gz YZYWEQRCBIWKEX-NWDGAFQWSA-N 0 0 179.307 3.897 10 30 AHEERN CCCC[C@]1(C#N)CCC[C@@H](C)C1 ZINC000083776085 573622427 /nfs/dbraw/zinc/62/24/27/573622427.db2.gz YZYWEQRCBIWKEX-NEPJUHHUSA-N 0 0 179.307 3.897 10 30 AHEERN CCCC[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000083776086 573621899 /nfs/dbraw/zinc/62/18/99/573621899.db2.gz YZYWEQRCBIWKEX-VXGBXAGGSA-N 0 0 179.307 3.897 10 30 AHEERN CC(C)C[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000083776103 573625178 /nfs/dbraw/zinc/62/51/78/573625178.db2.gz SDAOAPLSHJZNBP-NEPJUHHUSA-N 0 0 179.307 3.753 10 30 AHEERN CC(C)C[C@@]1(C#N)CCC[C@H](C)C1 ZINC000083776104 573622726 /nfs/dbraw/zinc/62/27/26/573622726.db2.gz SDAOAPLSHJZNBP-RYUDHWBXSA-N 0 0 179.307 3.753 10 30 AHEERN CC(C)C[C@]1(C#N)CCC[C@@H](C)C1 ZINC000083776105 573625290 /nfs/dbraw/zinc/62/52/90/573625290.db2.gz SDAOAPLSHJZNBP-VXGBXAGGSA-N 0 0 179.307 3.753 10 30 AHEERN CC(C)C[C@]1(C#N)CCC[C@H](C)C1 ZINC000083776106 573621671 /nfs/dbraw/zinc/62/16/71/573621671.db2.gz SDAOAPLSHJZNBP-NWDGAFQWSA-N 0 0 179.307 3.753 10 30 AHEERN CCC[C@]1(C#N)CCC[C@H](C)C1 ZINC000083776127 573625307 /nfs/dbraw/zinc/62/53/07/573625307.db2.gz MJKNXFCIWURGBL-QWRGUYRKSA-N 0 0 165.280 3.507 10 30 AHEERN CCC[C@@]1(C#N)CCC[C@H](C)C1 ZINC000083776128 573625547 /nfs/dbraw/zinc/62/55/47/573625547.db2.gz MJKNXFCIWURGBL-WDEREUQCSA-N 0 0 165.280 3.507 10 30 AHEERN CCC[C@]1(C#N)CCC[C@@H](C)C1 ZINC000083776129 573625950 /nfs/dbraw/zinc/62/59/50/573625950.db2.gz MJKNXFCIWURGBL-MNOVXSKESA-N 0 0 165.280 3.507 10 30 AHEERN CCC[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000083776130 573625217 /nfs/dbraw/zinc/62/52/17/573625217.db2.gz MJKNXFCIWURGBL-GHMZBOCLSA-N 0 0 165.280 3.507 10 30 AHEERN CCCCC1(C#N)CCC(C)CC1 ZINC000083776210 573624215 /nfs/dbraw/zinc/62/42/15/573624215.db2.gz UMJKPWGCSQFJMN-UHFFFAOYSA-N 0 0 179.307 3.897 10 30 AHEERN CC(C)CC1(C#N)CCC(C)CC1 ZINC000083776216 573624901 /nfs/dbraw/zinc/62/49/01/573624901.db2.gz JMJBDNLZBDCBBH-UHFFFAOYSA-N 0 0 179.307 3.753 10 30 AHEERN CCCC1(C#N)CCC(C)CC1 ZINC000083776222 573625588 /nfs/dbraw/zinc/62/55/88/573625588.db2.gz CCMDQDJLMPWRAZ-UHFFFAOYSA-N 0 0 165.280 3.507 10 30 AHEERN CCC1CCC(C#N)(CC)CC1 ZINC000083778136 573629543 /nfs/dbraw/zinc/62/95/43/573629543.db2.gz BEZPRPMCRSQWHP-UHFFFAOYSA-N 0 0 165.280 3.507 10 30 AHEERN CCCC1(C#N)CCC(CC)CC1 ZINC000083778145 573631176 /nfs/dbraw/zinc/63/11/76/573631176.db2.gz HBIYMWOENHGHKP-UHFFFAOYSA-N 0 0 179.307 3.897 10 30 AHEERN C=CCCC(=O)C1CCC(CC)CC1 ZINC000083778224 572404755 /nfs/dbraw/zinc/40/47/55/572404755.db2.gz MPCAZLDTDDZIPK-UHFFFAOYSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCC[C@@H](O)C1CCC(CC)CC1 ZINC000083778268 572406049 /nfs/dbraw/zinc/40/60/49/572406049.db2.gz FTNFJTTXRCPXDV-WXRRBKDZSA-N 0 0 196.334 3.530 10 30 AHEERN C=CCC[C@H](O)C1CCC(CC)CC1 ZINC000083778269 572406539 /nfs/dbraw/zinc/40/65/39/572406539.db2.gz FTNFJTTXRCPXDV-BPCQOVAHSA-N 0 0 196.334 3.530 10 30 AHEERN CCC1(C#N)CCC(C)(C)CC1 ZINC000083778468 537903653 /nfs/dbraw/zinc/90/36/53/537903653.db2.gz UPTYEJLUMBTHNA-UHFFFAOYSA-N 0 0 165.280 3.507 10 30 AHEERN CCCC1(C#N)CCC(C)(C)CC1 ZINC000083778478 573628775 /nfs/dbraw/zinc/62/87/75/573628775.db2.gz LDCFYNJULWYJPM-UHFFFAOYSA-N 0 0 179.307 3.897 10 30 AHEERN C=CCC[C@@H](O)C1CCC(C)(C)CC1 ZINC000083778658 572408139 /nfs/dbraw/zinc/40/81/39/572408139.db2.gz WFZAONDWXJTIQI-GFCCVEGCSA-N 0 0 196.334 3.530 10 30 AHEERN C=CCC[C@H](O)C1CCC(C)(C)CC1 ZINC000083778659 572409251 /nfs/dbraw/zinc/40/92/51/572409251.db2.gz WFZAONDWXJTIQI-LBPRGKRZSA-N 0 0 196.334 3.530 10 30 AHEERN CC(C)CC1(C#N)CCCCCC1 ZINC000083778994 573629938 /nfs/dbraw/zinc/62/99/38/573629938.db2.gz OYYKWYVDKUVHPD-UHFFFAOYSA-N 0 0 179.307 3.897 10 30 AHEERN CCCC1(C#N)CCCCCC1 ZINC000083779000 573627681 /nfs/dbraw/zinc/62/76/81/573627681.db2.gz WLPCLFWEYSVAME-UHFFFAOYSA-N 0 0 165.280 3.651 10 30 AHEERN C=CCCCC(=O)C1CCCCCC1 ZINC000083779173 572409621 /nfs/dbraw/zinc/40/96/21/572409621.db2.gz QHMUQGBRFLBSCS-UHFFFAOYSA-N 0 0 194.318 3.882 10 30 AHEERN C=CCCC[C@H](O)C1CCCCCC1 ZINC000083779293 572410311 /nfs/dbraw/zinc/41/03/11/572410311.db2.gz BUFZVRHDPPUQCA-ZDUSSCGKSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCCC[C@@H](O)C1CCCCCC1 ZINC000083779294 572409839 /nfs/dbraw/zinc/40/98/39/572409839.db2.gz BUFZVRHDPPUQCA-CYBMUJFWSA-N 0 0 196.334 3.674 10 30 AHEERN CCCC1CCC(C#N)(CC)CC1 ZINC000083780171 573630223 /nfs/dbraw/zinc/63/02/23/573630223.db2.gz RLWFDEBQFLBEBM-UHFFFAOYSA-N 0 0 179.307 3.897 10 30 AHEERN C=CCC(=O)C1CCC(CCC)CC1 ZINC000083780205 572409045 /nfs/dbraw/zinc/40/90/45/572409045.db2.gz KNUIWCYXRARGGR-UHFFFAOYSA-N 0 0 194.318 3.738 10 30 AHEERN CCCC1CCC(C)(C#N)CC1 ZINC000083780207 573627524 /nfs/dbraw/zinc/62/75/24/573627524.db2.gz LFIIJVOQWYLUPN-UHFFFAOYSA-N 0 0 165.280 3.507 10 30 AHEERN CCC1(C#N)CCC(C(C)C)CC1 ZINC000083780242 573627170 /nfs/dbraw/zinc/62/71/70/573627170.db2.gz MNMLCLRJRSSLIS-UHFFFAOYSA-N 0 0 179.307 3.753 10 30 AHEERN C=CCC(=O)C1CCC(C(C)C)CC1 ZINC000083780294 572408892 /nfs/dbraw/zinc/40/88/92/572408892.db2.gz BIPTYPBSWMEALN-UHFFFAOYSA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@@H](O)C1CCC(CCC)CC1 ZINC000083780368 572408372 /nfs/dbraw/zinc/40/83/72/572408372.db2.gz CLYDOQTWBBIKNA-WXRRBKDZSA-N 0 0 196.334 3.530 10 30 AHEERN C=CC[C@H](O)C1CCC(CCC)CC1 ZINC000083780369 572408272 /nfs/dbraw/zinc/40/82/72/572408272.db2.gz CLYDOQTWBBIKNA-BPCQOVAHSA-N 0 0 196.334 3.530 10 30 AHEERN CC[C@@H]1CCC[C@](C#N)(CC)C1 ZINC000083781634 573628795 /nfs/dbraw/zinc/62/87/95/573628795.db2.gz WEBSZJMANZRXJD-GHMZBOCLSA-N 0 0 165.280 3.507 10 30 AHEERN CC[C@H]1CCC[C@](C#N)(CC)C1 ZINC000083781635 573628810 /nfs/dbraw/zinc/62/88/10/573628810.db2.gz WEBSZJMANZRXJD-WDEREUQCSA-N 0 0 165.280 3.507 10 30 AHEERN CC[C@@H]1CCC[C@@](C#N)(CC)C1 ZINC000083781637 573631158 /nfs/dbraw/zinc/63/11/58/573631158.db2.gz WEBSZJMANZRXJD-MNOVXSKESA-N 0 0 165.280 3.507 10 30 AHEERN CC[C@H]1CCC[C@@](C#N)(CC)C1 ZINC000083781639 573629273 /nfs/dbraw/zinc/62/92/73/573629273.db2.gz WEBSZJMANZRXJD-QWRGUYRKSA-N 0 0 165.280 3.507 10 30 AHEERN CCC[C@]1(C#N)CCC[C@H](CC)C1 ZINC000083781729 573630741 /nfs/dbraw/zinc/63/07/41/573630741.db2.gz HUQYMUFPAJPROG-RYUDHWBXSA-N 0 0 179.307 3.897 10 30 AHEERN CCC[C@@]1(C#N)CCC[C@H](CC)C1 ZINC000083781731 573631217 /nfs/dbraw/zinc/63/12/17/573631217.db2.gz HUQYMUFPAJPROG-NWDGAFQWSA-N 0 0 179.307 3.897 10 30 AHEERN CCC[C@]1(C#N)CCC[C@@H](CC)C1 ZINC000083781733 573628173 /nfs/dbraw/zinc/62/81/73/573628173.db2.gz HUQYMUFPAJPROG-NEPJUHHUSA-N 0 0 179.307 3.897 10 30 AHEERN CCC[C@@]1(C#N)CCC[C@@H](CC)C1 ZINC000083781735 573631152 /nfs/dbraw/zinc/63/11/52/573631152.db2.gz HUQYMUFPAJPROG-VXGBXAGGSA-N 0 0 179.307 3.897 10 30 AHEERN CCCCC[C@]1(C#N)CC[C@H](C)C1 ZINC000083781823 572408609 /nfs/dbraw/zinc/40/86/09/572408609.db2.gz AIOCHWQPCSDIIL-RYUDHWBXSA-N 0 0 179.307 3.897 10 30 AHEERN CCCCC[C@@]1(C#N)CC[C@H](C)C1 ZINC000083781825 572410325 /nfs/dbraw/zinc/41/03/25/572410325.db2.gz AIOCHWQPCSDIIL-NWDGAFQWSA-N 0 0 179.307 3.897 10 30 AHEERN CCCCC[C@]1(C#N)CC[C@@H](C)C1 ZINC000083781827 572408897 /nfs/dbraw/zinc/40/88/97/572408897.db2.gz AIOCHWQPCSDIIL-NEPJUHHUSA-N 0 0 179.307 3.897 10 30 AHEERN CCCCC[C@@]1(C#N)CC[C@@H](C)C1 ZINC000083781829 572408226 /nfs/dbraw/zinc/40/82/26/572408226.db2.gz AIOCHWQPCSDIIL-VXGBXAGGSA-N 0 0 179.307 3.897 10 30 AHEERN CC(C)CC[C@@]1(C#N)CC[C@@H](C)C1 ZINC000083781919 573627200 /nfs/dbraw/zinc/62/72/00/573627200.db2.gz MJBGAODGQVABBU-VXGBXAGGSA-N 0 0 179.307 3.753 10 30 AHEERN CC(C)CC[C@@]1(C#N)CC[C@H](C)C1 ZINC000083781920 573627803 /nfs/dbraw/zinc/62/78/03/573627803.db2.gz MJBGAODGQVABBU-NWDGAFQWSA-N 0 0 179.307 3.753 10 30 AHEERN CC(C)CC[C@]1(C#N)CC[C@@H](C)C1 ZINC000083781923 573628215 /nfs/dbraw/zinc/62/82/15/573628215.db2.gz MJBGAODGQVABBU-NEPJUHHUSA-N 0 0 179.307 3.753 10 30 AHEERN CC(C)CC[C@]1(C#N)CC[C@H](C)C1 ZINC000083781925 573627267 /nfs/dbraw/zinc/62/72/67/573627267.db2.gz MJBGAODGQVABBU-RYUDHWBXSA-N 0 0 179.307 3.753 10 30 AHEERN CCCC[C@]1(C#N)CC[C@H](C)C1 ZINC000083781936 573630874 /nfs/dbraw/zinc/63/08/74/573630874.db2.gz FJRHHIWQVDUPHA-QWRGUYRKSA-N 0 0 165.280 3.507 10 30 AHEERN CCCC[C@@]1(C#N)CC[C@H](C)C1 ZINC000083781937 573628987 /nfs/dbraw/zinc/62/89/87/573628987.db2.gz FJRHHIWQVDUPHA-WDEREUQCSA-N 0 0 165.280 3.507 10 30 AHEERN CCCC[C@]1(C#N)CC[C@@H](C)C1 ZINC000083781939 573628128 /nfs/dbraw/zinc/62/81/28/573628128.db2.gz FJRHHIWQVDUPHA-MNOVXSKESA-N 0 0 165.280 3.507 10 30 AHEERN CCCC[C@@]1(C#N)CC[C@@H](C)C1 ZINC000083781942 573627819 /nfs/dbraw/zinc/62/78/19/573627819.db2.gz FJRHHIWQVDUPHA-GHMZBOCLSA-N 0 0 165.280 3.507 10 30 AHEERN C[C@@H]1CC[C@](C#N)(Cc2ccccc2)C1 ZINC000083782009 572409128 /nfs/dbraw/zinc/40/91/28/572409128.db2.gz MHJWZAMPTSOROH-TZMCWYRMSA-N 0 0 199.297 3.559 10 30 AHEERN C[C@H]1CC[C@](C#N)(Cc2ccccc2)C1 ZINC000083782011 572410244 /nfs/dbraw/zinc/41/02/44/572410244.db2.gz MHJWZAMPTSOROH-GXTWGEPZSA-N 0 0 199.297 3.559 10 30 AHEERN C[C@@H]1CC[C@@](C#N)(Cc2ccccc2)C1 ZINC000083782013 572407525 /nfs/dbraw/zinc/40/75/25/572407525.db2.gz MHJWZAMPTSOROH-OCCSQVGLSA-N 0 0 199.297 3.559 10 30 AHEERN C[C@H]1CC[C@@](C#N)(Cc2ccccc2)C1 ZINC000083782016 572407831 /nfs/dbraw/zinc/40/78/31/572407831.db2.gz MHJWZAMPTSOROH-JSGCOSHPSA-N 0 0 199.297 3.559 10 30 AHEERN C[C@@H]1CC[C@](C#N)(CC2CCCC2)C1 ZINC000083782167 573629169 /nfs/dbraw/zinc/62/91/69/573629169.db2.gz JTFIVBTVUFKWTO-DGCLKSJQSA-N 0 0 191.318 3.897 10 30 AHEERN C[C@H]1CC[C@](C#N)(CC2CCCC2)C1 ZINC000083782168 573629303 /nfs/dbraw/zinc/62/93/03/573629303.db2.gz JTFIVBTVUFKWTO-WCQYABFASA-N 0 0 191.318 3.897 10 30 AHEERN C[C@@H]1CC[C@@](C#N)(CC2CCCC2)C1 ZINC000083782170 573630160 /nfs/dbraw/zinc/63/01/60/573630160.db2.gz JTFIVBTVUFKWTO-YPMHNXCESA-N 0 0 191.318 3.897 10 30 AHEERN C[C@H]1CC[C@@](C#N)(CC2CCCC2)C1 ZINC000083782172 573629238 /nfs/dbraw/zinc/62/92/38/573629238.db2.gz JTFIVBTVUFKWTO-AAEUAGOBSA-N 0 0 191.318 3.897 10 30 AHEERN CC[C@H](C)C[C@]1(C#N)CC[C@H](C)C1 ZINC000083782207 573629942 /nfs/dbraw/zinc/62/99/42/573629942.db2.gz KUTISFJFXYHYBI-SDDRHHMPSA-N 0 0 179.307 3.753 10 30 AHEERN CC[C@H](C)C[C@@]1(C#N)CC[C@H](C)C1 ZINC000083782211 573627569 /nfs/dbraw/zinc/62/75/69/573627569.db2.gz KUTISFJFXYHYBI-SRVKXCTJSA-N 0 0 179.307 3.753 10 30 AHEERN C=CCCC(=O)[C@H]1CCC[C@@H](CC)C1 ZINC000083784136 572393648 /nfs/dbraw/zinc/39/36/48/572393648.db2.gz DVQXKINCBPUAER-NEPJUHHUSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCCC(=O)[C@H]1CCC[C@H](CC)C1 ZINC000083784137 572396056 /nfs/dbraw/zinc/39/60/56/572396056.db2.gz DVQXKINCBPUAER-RYUDHWBXSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCCC(=O)[C@@H]1CCC[C@@H](CC)C1 ZINC000083784141 572396749 /nfs/dbraw/zinc/39/67/49/572396749.db2.gz DVQXKINCBPUAER-VXGBXAGGSA-N 0 0 194.318 3.738 10 30 AHEERN CCCC[C@]1(C#N)CC[C@H](CC)C1 ZINC000083791692 572416734 /nfs/dbraw/zinc/41/67/34/572416734.db2.gz JQOBWRSJMRWUHQ-RYUDHWBXSA-N 0 0 179.307 3.897 10 30 AHEERN CCCC[C@@]1(C#N)CC[C@H](CC)C1 ZINC000083791694 572416427 /nfs/dbraw/zinc/41/64/27/572416427.db2.gz JQOBWRSJMRWUHQ-NWDGAFQWSA-N 0 0 179.307 3.897 10 30 AHEERN CCCC[C@]1(C#N)CC[C@@H](CC)C1 ZINC000083791696 573639439 /nfs/dbraw/zinc/63/94/39/573639439.db2.gz JQOBWRSJMRWUHQ-NEPJUHHUSA-N 0 0 179.307 3.897 10 30 AHEERN CCCC[C@@]1(C#N)CC[C@@H](CC)C1 ZINC000083791698 572416588 /nfs/dbraw/zinc/41/65/88/572416588.db2.gz JQOBWRSJMRWUHQ-VXGBXAGGSA-N 0 0 179.307 3.897 10 30 AHEERN CC[C@@H]1CC[C@](C#N)(CC(C)C)C1 ZINC000083791748 573637180 /nfs/dbraw/zinc/63/71/80/573637180.db2.gz UGGFAEMPGGLHNG-NEPJUHHUSA-N 0 0 179.307 3.753 10 30 AHEERN CC[C@H]1CC[C@](C#N)(CC(C)C)C1 ZINC000083791750 573640613 /nfs/dbraw/zinc/64/06/13/573640613.db2.gz UGGFAEMPGGLHNG-RYUDHWBXSA-N 0 0 179.307 3.753 10 30 AHEERN CC[C@@H]1CC[C@@](C#N)(CC(C)C)C1 ZINC000083791752 573640985 /nfs/dbraw/zinc/64/09/85/573640985.db2.gz UGGFAEMPGGLHNG-VXGBXAGGSA-N 0 0 179.307 3.753 10 30 AHEERN CC[C@H]1CC[C@@](C#N)(CC(C)C)C1 ZINC000083791754 573637499 /nfs/dbraw/zinc/63/74/99/573637499.db2.gz UGGFAEMPGGLHNG-NWDGAFQWSA-N 0 0 179.307 3.753 10 30 AHEERN CCC[C@]1(C#N)CC[C@H](CC)C1 ZINC000083791803 573638064 /nfs/dbraw/zinc/63/80/64/573638064.db2.gz MJFJMUOPYJDKJA-QWRGUYRKSA-N 0 0 165.280 3.507 10 30 AHEERN CCC[C@@]1(C#N)CC[C@H](CC)C1 ZINC000083791805 573641356 /nfs/dbraw/zinc/64/13/56/573641356.db2.gz MJFJMUOPYJDKJA-WDEREUQCSA-N 0 0 165.280 3.507 10 30 AHEERN CCC[C@]1(C#N)CC[C@@H](CC)C1 ZINC000083791807 573641370 /nfs/dbraw/zinc/64/13/70/573641370.db2.gz MJFJMUOPYJDKJA-MNOVXSKESA-N 0 0 165.280 3.507 10 30 AHEERN CCC[C@@]1(C#N)CC[C@@H](CC)C1 ZINC000083791809 573639823 /nfs/dbraw/zinc/63/98/23/573639823.db2.gz MJFJMUOPYJDKJA-GHMZBOCLSA-N 0 0 165.280 3.507 10 30 AHEERN CCCC[C@]1(C#N)CCc2ccccc21 ZINC000083792023 572415158 /nfs/dbraw/zinc/41/51/58/572415158.db2.gz OVMMZEQXKWAXLX-CQSZACIVSA-N 0 0 199.297 3.584 10 30 AHEERN CCCC[C@@]1(C#N)CCc2ccccc21 ZINC000083792024 572415445 /nfs/dbraw/zinc/41/54/45/572415445.db2.gz OVMMZEQXKWAXLX-AWEZNQCLSA-N 0 0 199.297 3.584 10 30 AHEERN C=CCCCC(=O)[C@H]1CC[C@@H](CC)C1 ZINC000083798253 572417020 /nfs/dbraw/zinc/41/70/20/572417020.db2.gz KOGMPYXMWKKEJG-NEPJUHHUSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCCCC(=O)[C@H]1CC[C@H](CC)C1 ZINC000083798255 572415149 /nfs/dbraw/zinc/41/51/49/572415149.db2.gz KOGMPYXMWKKEJG-RYUDHWBXSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCCCC(=O)[C@@H]1CC[C@@H](CC)C1 ZINC000083798259 572416173 /nfs/dbraw/zinc/41/61/73/572416173.db2.gz KOGMPYXMWKKEJG-VXGBXAGGSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCCCC(=O)[C@@H]1CC[C@H](CC)C1 ZINC000083798263 572416123 /nfs/dbraw/zinc/41/61/23/572416123.db2.gz KOGMPYXMWKKEJG-NWDGAFQWSA-N 0 0 194.318 3.738 10 30 AHEERN [N-]=[N+]=Nc1ccc2sccc2c1 ZINC000083833476 573671560 /nfs/dbraw/zinc/67/15/60/573671560.db2.gz IHEBQIXDQBNOMK-UHFFFAOYSA-N 0 0 175.216 3.843 10 30 AHEERN C=CC(=O)C1CCC(C(C)(C)C)CC1 ZINC000083944518 573705575 /nfs/dbraw/zinc/70/55/75/573705575.db2.gz FUUZNOOCEFAWSM-UHFFFAOYSA-N 0 0 194.318 3.594 10 30 AHEERN O=C1CCCC/C1=C\C1CCCCC1 ZINC000083982508 572475686 /nfs/dbraw/zinc/47/56/86/572475686.db2.gz JFFUVFUXWNKVNW-ZRDIBKRKSA-N 0 0 192.302 3.636 10 30 AHEERN CCCSC1(C#N)CCC(C)CC1 ZINC000084029400 573749713 /nfs/dbraw/zinc/74/97/13/573749713.db2.gz NAUMUMMCEHFVKW-UHFFFAOYSA-N 0 0 197.347 3.602 10 30 AHEERN CC(C)SC1(C#N)CCC(C)CC1 ZINC000084029401 573748340 /nfs/dbraw/zinc/74/83/40/573748340.db2.gz GTNSWAFPULTNHE-UHFFFAOYSA-N 0 0 197.347 3.600 10 30 AHEERN C=CCCOc1cc(Cl)ccc1C ZINC000084082842 572493868 /nfs/dbraw/zinc/49/38/68/572493868.db2.gz MXQRYQRQRQBQLN-UHFFFAOYSA-N 0 0 196.677 3.603 10 30 AHEERN Cc1cc(C)cc([C@@H](C#N)C(C)C)c1 ZINC000084347803 573841513 /nfs/dbraw/zinc/84/15/13/573841513.db2.gz GFPVWWPBWVQPFS-ZDUSSCGKSA-N 0 0 187.286 3.567 10 30 AHEERN Cc1cc(C)cc([C@H](C#N)C(C)C)c1 ZINC000084347805 573839891 /nfs/dbraw/zinc/83/98/91/573839891.db2.gz GFPVWWPBWVQPFS-CYBMUJFWSA-N 0 0 187.286 3.567 10 30 AHEERN Cc1ccc2ccccc2c1CS ZINC000084917090 343638528 /nfs/dbraw/zinc/63/85/28/343638528.db2.gz RGBRWARTFBHZRM-UHFFFAOYSA-N 0 0 188.295 3.578 10 30 AHEERN C=C(CC)CNc1cccc(CC)c1 ZINC000085057180 572639705 /nfs/dbraw/zinc/63/97/05/572639705.db2.gz QKSSMCNRCHOUCZ-UHFFFAOYSA-N 0 0 189.302 3.627 10 30 AHEERN C=C(CC)CCC(=O)c1ccccc1 ZINC000085059790 572644842 /nfs/dbraw/zinc/64/48/42/572644842.db2.gz JBZHUVURSNUFHC-UHFFFAOYSA-N 0 0 188.270 3.616 10 30 AHEERN C=C(CC)C[C@@H]1C[C@H](CC)CCC1=O ZINC000085059858 572643821 /nfs/dbraw/zinc/64/38/21/572643821.db2.gz NUBJBZLTVIPSGR-VXGBXAGGSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(CC)C[C@@H]1C[C@@H](CC)CCC1=O ZINC000085059859 572643527 /nfs/dbraw/zinc/64/35/27/572643527.db2.gz NUBJBZLTVIPSGR-NWDGAFQWSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(CC)C[C@H]1C[C@H](CC)CCC1=O ZINC000085059861 572643851 /nfs/dbraw/zinc/64/38/51/572643851.db2.gz NUBJBZLTVIPSGR-NEPJUHHUSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(CC)C[C@H]1C[C@@H](CC)CCC1=O ZINC000085059862 572645342 /nfs/dbraw/zinc/64/53/42/572645342.db2.gz NUBJBZLTVIPSGR-RYUDHWBXSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(CC)CC(=O)c1ccc(C)cc1 ZINC000085060661 572643807 /nfs/dbraw/zinc/64/38/07/572643807.db2.gz CGVZFDPCXYXKKA-UHFFFAOYSA-N 0 0 188.270 3.534 10 30 AHEERN C=C(CC)CC(=O)c1ccccc1C ZINC000085060716 572642383 /nfs/dbraw/zinc/64/23/83/572642383.db2.gz IDFFFCAPNBJKAJ-UHFFFAOYSA-N 0 0 188.270 3.534 10 30 AHEERN C=C(CC)CC(=O)c1cccc(C)c1 ZINC000085060719 572644722 /nfs/dbraw/zinc/64/47/22/572644722.db2.gz VLYSKFWPSWRYGP-UHFFFAOYSA-N 0 0 188.270 3.534 10 30 AHEERN C=C(CC)CC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000085060797 572644817 /nfs/dbraw/zinc/64/48/17/572644817.db2.gz DIMOKLLGMBVJGU-NWDGAFQWSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(CC)CC(=O)[C@H]1CCC[C@H](C)C1 ZINC000085060800 572643668 /nfs/dbraw/zinc/64/36/68/572643668.db2.gz DIMOKLLGMBVJGU-RYUDHWBXSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(CC)CC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000085060804 572646077 /nfs/dbraw/zinc/64/60/77/572646077.db2.gz DIMOKLLGMBVJGU-VXGBXAGGSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(CC)CC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000085060805 572645467 /nfs/dbraw/zinc/64/54/67/572645467.db2.gz DIMOKLLGMBVJGU-NEPJUHHUSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(CC)CC(=O)C1CCC(C)CC1 ZINC000085060807 572644194 /nfs/dbraw/zinc/64/41/94/572644194.db2.gz RUJFELFKAJQLQZ-UHFFFAOYSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(CC)CC(=O)C1CCCCCC1 ZINC000085061019 572647720 /nfs/dbraw/zinc/64/77/20/572647720.db2.gz CVVKSWGXHVNTTD-UHFFFAOYSA-N 0 0 194.318 3.882 10 30 AHEERN C=C(CC)CC(=O)[C@H]1CC[C@@H](CC)C1 ZINC000085061052 572648689 /nfs/dbraw/zinc/64/86/89/572648689.db2.gz AZSVEUBFDBSWMD-NEPJUHHUSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(CC)CC(=O)[C@H]1CC[C@H](CC)C1 ZINC000085061055 572647018 /nfs/dbraw/zinc/64/70/18/572647018.db2.gz AZSVEUBFDBSWMD-RYUDHWBXSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(CC)CC(=O)[C@@H]1CC[C@@H](CC)C1 ZINC000085061058 572648741 /nfs/dbraw/zinc/64/87/41/572648741.db2.gz AZSVEUBFDBSWMD-VXGBXAGGSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(CC)CC(=O)[C@@H]1CC[C@H](CC)C1 ZINC000085061062 572649011 /nfs/dbraw/zinc/64/90/11/572649011.db2.gz AZSVEUBFDBSWMD-NWDGAFQWSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(CC)C[C@H](O)[C@@H]1CCC[C@H](C)C1 ZINC000085061465 572647355 /nfs/dbraw/zinc/64/73/55/572647355.db2.gz VLSWPTFMYAXYRU-XQQFMLRXSA-N 0 0 196.334 3.530 10 30 AHEERN C=C(CC)C[C@H](O)[C@H]1CCC[C@H](C)C1 ZINC000085061472 572647955 /nfs/dbraw/zinc/64/79/55/572647955.db2.gz VLSWPTFMYAXYRU-AVGNSLFASA-N 0 0 196.334 3.530 10 30 AHEERN C=C(CC)C[C@H](O)C1CCC(C)CC1 ZINC000085061478 572648606 /nfs/dbraw/zinc/64/86/06/572648606.db2.gz ZCCBUCLATJWNCH-BPCQOVAHSA-N 0 0 196.334 3.530 10 30 AHEERN C=C(CC)C[C@@H](O)C1CCC(C)CC1 ZINC000085061481 572649192 /nfs/dbraw/zinc/64/91/92/572649192.db2.gz ZCCBUCLATJWNCH-WXRRBKDZSA-N 0 0 196.334 3.530 10 30 AHEERN C=C(CC)C[C@H](O)C1CCCCCC1 ZINC000085061889 572647380 /nfs/dbraw/zinc/64/73/80/572647380.db2.gz PBBIFJWGSJOYBY-ZDUSSCGKSA-N 0 0 196.334 3.674 10 30 AHEERN C=C(CC)C[C@@H](O)C1CCCCCC1 ZINC000085061891 572646773 /nfs/dbraw/zinc/64/67/73/572646773.db2.gz PBBIFJWGSJOYBY-CYBMUJFWSA-N 0 0 196.334 3.674 10 30 AHEERN C=C(CC)C[C@@H]1C[C@H](CC)CC[C@@H]1O ZINC000085064647 572649826 /nfs/dbraw/zinc/64/98/26/572649826.db2.gz XHKVPFMLYKOIMI-UPJWGTAASA-N 0 0 196.334 3.530 10 30 AHEERN C=C(CC)C[C@@H]1C[C@@H](CC)CC[C@@H]1O ZINC000085064650 572651896 /nfs/dbraw/zinc/65/18/96/572651896.db2.gz XHKVPFMLYKOIMI-XQQFMLRXSA-N 0 0 196.334 3.530 10 30 AHEERN C=C(CC)C[C@@H]1C[C@H](CC)CC[C@H]1O ZINC000085064653 572650435 /nfs/dbraw/zinc/65/04/35/572650435.db2.gz XHKVPFMLYKOIMI-JHJVBQTASA-N 0 0 196.334 3.530 10 30 AHEERN C=C(CC)C[C@@H]1C[C@@H](CC)CC[C@H]1O ZINC000085064655 572651841 /nfs/dbraw/zinc/65/18/41/572651841.db2.gz XHKVPFMLYKOIMI-YNEHKIRRSA-N 0 0 196.334 3.530 10 30 AHEERN C=C(CC)CCCC(=O)C(C)(C)C ZINC000085070837 572652063 /nfs/dbraw/zinc/65/20/63/572652063.db2.gz GRKBOQOQCDCNLL-UHFFFAOYSA-N 0 0 182.307 3.738 10 30 AHEERN C=C(CC)CC1=CC(=O)CC(C)(C)C1 ZINC000085070870 573963663 /nfs/dbraw/zinc/96/36/63/573963663.db2.gz KZISHLAUQRAPJJ-UHFFFAOYSA-N 0 0 192.302 3.658 10 30 AHEERN C=C(CC)CCC[C@H](O)C(C)(C)C ZINC000085071257 572652976 /nfs/dbraw/zinc/65/29/76/572652976.db2.gz INJBIAPMFCEWSQ-NSHDSACASA-N 0 0 184.323 3.530 10 30 AHEERN C=C(CC)CCC[C@@H](O)C(C)(C)C ZINC000085071259 572651677 /nfs/dbraw/zinc/65/16/77/572651677.db2.gz INJBIAPMFCEWSQ-LLVKDONJSA-N 0 0 184.323 3.530 10 30 AHEERN C=C(CC)COc1ccc(Cl)cc1 ZINC000085071475 572650446 /nfs/dbraw/zinc/65/04/46/572650446.db2.gz BVWFZRVEPRVQPW-UHFFFAOYSA-N 0 0 196.677 3.685 10 30 AHEERN C=C(CC)COc1ccc(CC)cc1 ZINC000085071482 572650500 /nfs/dbraw/zinc/65/05/00/572650500.db2.gz BYZRVWPBIXMXNO-UHFFFAOYSA-N 0 0 190.286 3.594 10 30 AHEERN C=C(CC)COc1cccc(CC)c1 ZINC000085071484 572651190 /nfs/dbraw/zinc/65/11/90/572651190.db2.gz XJBOVPRMSJEYLP-UHFFFAOYSA-N 0 0 190.286 3.594 10 30 AHEERN C=C(CC)COc1ccccc1CC ZINC000085071485 572652294 /nfs/dbraw/zinc/65/22/94/572652294.db2.gz WAGATHIKPUFESA-UHFFFAOYSA-N 0 0 190.286 3.594 10 30 AHEERN C=C(CC)COc1ccc(C)cc1C ZINC000085071487 572652597 /nfs/dbraw/zinc/65/25/97/572652597.db2.gz QTHRTEPVRCTWLD-UHFFFAOYSA-N 0 0 190.286 3.648 10 30 AHEERN C=C(CC)COc1cc(C)cc(C)c1 ZINC000085071491 572650289 /nfs/dbraw/zinc/65/02/89/572650289.db2.gz SQGXFAIZZDHCNM-UHFFFAOYSA-N 0 0 190.286 3.648 10 30 AHEERN C=C[C@H](C)Oc1cccc2ccccc21 ZINC000085154923 572684215 /nfs/dbraw/zinc/68/42/15/572684215.db2.gz WWCNSHRZEWRTJH-NSHDSACASA-N 0 0 198.265 3.793 10 30 AHEERN C=C[C@@H](C)Oc1cccc2ccccc21 ZINC000085154924 572684524 /nfs/dbraw/zinc/68/45/24/572684524.db2.gz WWCNSHRZEWRTJH-LLVKDONJSA-N 0 0 198.265 3.793 10 30 AHEERN CC(C)[C@@H](C#N)SC1CCCCC1 ZINC000085299345 574028956 /nfs/dbraw/zinc/02/89/56/574028956.db2.gz JQYSJXIKYWRTED-LLVKDONJSA-N 0 0 197.347 3.600 10 30 AHEERN CC(C)[C@H](C#N)SC1CCCCC1 ZINC000085299348 574030016 /nfs/dbraw/zinc/03/00/16/574030016.db2.gz JQYSJXIKYWRTED-NSHDSACASA-N 0 0 197.347 3.600 10 30 AHEERN CCCCCCCC/C=C/CCO ZINC000085659606 171094630 /nfs/dbraw/zinc/09/46/30/171094630.db2.gz BDGQTWOHKASHQU-MDZDMXLPSA-N 0 0 184.323 3.676 10 30 AHEERN C=C(C)C(=O)c1cccc2ccccc21 ZINC000086022696 573239280 /nfs/dbraw/zinc/23/92/80/573239280.db2.gz DTOPAIAGTSRBTD-UHFFFAOYSA-N 0 0 196.249 3.599 10 30 AHEERN C=C(C)C(=O)c1ccc2ccccc2c1 ZINC000086022705 573238085 /nfs/dbraw/zinc/23/80/85/573238085.db2.gz PQLMCKQDUXFYIY-UHFFFAOYSA-N 0 0 196.249 3.599 10 30 AHEERN C=C(C)CC(=O)C1CCC(CC)CC1 ZINC000086023401 572846125 /nfs/dbraw/zinc/84/61/25/572846125.db2.gz QWTLZBXPKPNWNV-UHFFFAOYSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(C)C(=O)C1CCC(CCC)CC1 ZINC000086023425 572845606 /nfs/dbraw/zinc/84/56/06/572845606.db2.gz XDQXWDPXTQPUKL-UHFFFAOYSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(C)C(=O)C1CCC(C(C)C)CC1 ZINC000086023438 573239864 /nfs/dbraw/zinc/23/98/64/573239864.db2.gz YGSRXACNZFUPNL-UHFFFAOYSA-N 0 0 194.318 3.594 10 30 AHEERN C=C(C)CC(=O)[C@H]1CCC[C@H](CC)C1 ZINC000086023498 572847134 /nfs/dbraw/zinc/84/71/34/572847134.db2.gz OHFZRVWHTPONQZ-RYUDHWBXSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(C)CC(=O)[C@@H]1CCC[C@@H](CC)C1 ZINC000086023501 572845256 /nfs/dbraw/zinc/84/52/56/572845256.db2.gz OHFZRVWHTPONQZ-VXGBXAGGSA-N 0 0 194.318 3.738 10 30 AHEERN CCCCCCCCCOCC ZINC000086047267 573238073 /nfs/dbraw/zinc/23/80/73/573238073.db2.gz BCHGIXRCMJWXGE-UHFFFAOYSA-N 0 0 172.312 3.774 10 30 AHEERN C=C(C)C[C@@H](O)C1CCC(CC)CC1 ZINC000086060196 572850047 /nfs/dbraw/zinc/85/00/47/572850047.db2.gz IDFUXYQJXHFXJR-WXRRBKDZSA-N 0 0 196.334 3.530 10 30 AHEERN C=C(C)C[C@H](O)C1CCC(CC)CC1 ZINC000086060198 572849603 /nfs/dbraw/zinc/84/96/03/572849603.db2.gz IDFUXYQJXHFXJR-BPCQOVAHSA-N 0 0 196.334 3.530 10 30 AHEERN C=C(C)CCCC(=O)c1ccccc1 ZINC000086063529 572853334 /nfs/dbraw/zinc/85/33/34/572853334.db2.gz GKGWPSZFIYQRRW-UHFFFAOYSA-N 0 0 188.270 3.616 10 30 AHEERN CC[C@@H](C)[C@@H](C#N)c1ccccc1C ZINC000086386669 573396392 /nfs/dbraw/zinc/39/63/92/573396392.db2.gz LOHPQEDYTAHYFD-ZWNOBZJWSA-N 0 0 187.286 3.648 10 30 AHEERN CC[C@H](C)[C@@H](C#N)c1ccccc1C ZINC000086386671 573395186 /nfs/dbraw/zinc/39/51/86/573395186.db2.gz LOHPQEDYTAHYFD-GXFFZTMASA-N 0 0 187.286 3.648 10 30 AHEERN CC[C@@H](C)[C@H](C#N)c1ccccc1C ZINC000086386673 573397047 /nfs/dbraw/zinc/39/70/47/573397047.db2.gz LOHPQEDYTAHYFD-MFKMUULPSA-N 0 0 187.286 3.648 10 30 AHEERN CC[C@H](C)[C@H](C#N)c1ccccc1C ZINC000086386677 573397751 /nfs/dbraw/zinc/39/77/51/573397751.db2.gz LOHPQEDYTAHYFD-GWCFXTLKSA-N 0 0 187.286 3.648 10 30 AHEERN CC[C@@H](C)[C@@H](C#N)c1cccc(C)c1 ZINC000086386714 573394002 /nfs/dbraw/zinc/39/40/02/573394002.db2.gz FNEPMXQPZLFZRW-DGCLKSJQSA-N 0 0 187.286 3.648 10 30 AHEERN CC[C@H](C)[C@@H](C#N)c1cccc(C)c1 ZINC000086386717 573393974 /nfs/dbraw/zinc/39/39/74/573393974.db2.gz FNEPMXQPZLFZRW-WCQYABFASA-N 0 0 187.286 3.648 10 30 AHEERN CC[C@@H](C)[C@H](C#N)c1cccc(C)c1 ZINC000086386719 573395333 /nfs/dbraw/zinc/39/53/33/573395333.db2.gz FNEPMXQPZLFZRW-YPMHNXCESA-N 0 0 187.286 3.648 10 30 AHEERN CC[C@H](C)[C@H](C#N)c1cccc(C)c1 ZINC000086386722 573397431 /nfs/dbraw/zinc/39/74/31/573397431.db2.gz FNEPMXQPZLFZRW-AAEUAGOBSA-N 0 0 187.286 3.648 10 30 AHEERN CC[C@@H](C)[C@@H](C#N)c1ccc(C)cc1 ZINC000086386724 573393982 /nfs/dbraw/zinc/39/39/82/573393982.db2.gz OJEPJOZTZTYKJV-DGCLKSJQSA-N 0 0 187.286 3.648 10 30 AHEERN CC[C@H](C)[C@@H](C#N)c1ccc(C)cc1 ZINC000086386726 573397674 /nfs/dbraw/zinc/39/76/74/573397674.db2.gz OJEPJOZTZTYKJV-WCQYABFASA-N 0 0 187.286 3.648 10 30 AHEERN CC[C@@H](C)[C@H](C#N)c1ccc(C)cc1 ZINC000086386728 573395820 /nfs/dbraw/zinc/39/58/20/573395820.db2.gz OJEPJOZTZTYKJV-YPMHNXCESA-N 0 0 187.286 3.648 10 30 AHEERN CC[C@H](C)[C@H](C#N)c1ccc(C)cc1 ZINC000086386731 573394860 /nfs/dbraw/zinc/39/48/60/573394860.db2.gz OJEPJOZTZTYKJV-AAEUAGOBSA-N 0 0 187.286 3.648 10 30 AHEERN CC[C@@H](C)[C@@H](C#N)SC1CCCC1 ZINC000086386845 572927490 /nfs/dbraw/zinc/92/74/90/572927490.db2.gz CDHYLZOZAFSTPY-MWLCHTKSSA-N 0 0 197.347 3.600 10 30 AHEERN CC[C@H](C)[C@@H](C#N)SC1CCCC1 ZINC000086386847 572926928 /nfs/dbraw/zinc/92/69/28/572926928.db2.gz CDHYLZOZAFSTPY-GXSJLCMTSA-N 0 0 197.347 3.600 10 30 AHEERN CC[C@@H](C)[C@H](C#N)SC1CCCC1 ZINC000086386849 572928353 /nfs/dbraw/zinc/92/83/53/572928353.db2.gz CDHYLZOZAFSTPY-KOLCDFICSA-N 0 0 197.347 3.600 10 30 AHEERN CC[C@H](C)[C@H](C#N)SC1CCCC1 ZINC000086386851 572929245 /nfs/dbraw/zinc/92/92/45/572929245.db2.gz CDHYLZOZAFSTPY-ONGXEEELSA-N 0 0 197.347 3.600 10 30 AHEERN CCCC1CC(C#N)(c2ccccc2)C1 ZINC000086545488 572955622 /nfs/dbraw/zinc/95/56/22/572955622.db2.gz RRSCKKKTBHRAAS-UHFFFAOYSA-N 0 0 199.297 3.658 10 30 AHEERN CC(C)C1CC(C#N)(c2ccccc2)C1 ZINC000086557815 572959853 /nfs/dbraw/zinc/95/98/53/572959853.db2.gz MJZOBZQMSUXTJD-UHFFFAOYSA-N 0 0 199.297 3.514 10 30 AHEERN C[C@@H]1CCC[C@@]1(C#N)SC(C)(C)C ZINC000086658309 573547020 /nfs/dbraw/zinc/54/70/20/573547020.db2.gz GXRGYCZWUYJMJH-KOLCDFICSA-N 0 0 197.347 3.600 10 30 AHEERN C[C@H]1CCC[C@@]1(C#N)SC(C)(C)C ZINC000086658310 573548383 /nfs/dbraw/zinc/54/83/83/573548383.db2.gz GXRGYCZWUYJMJH-ONGXEEELSA-N 0 0 197.347 3.600 10 30 AHEERN C[C@@H]1CCC[C@]1(C#N)SC(C)(C)C ZINC000086658311 573546606 /nfs/dbraw/zinc/54/66/06/573546606.db2.gz GXRGYCZWUYJMJH-MWLCHTKSSA-N 0 0 197.347 3.600 10 30 AHEERN C[C@H]1CCC[C@]1(C#N)SC(C)(C)C ZINC000086658312 573547755 /nfs/dbraw/zinc/54/77/55/573547755.db2.gz GXRGYCZWUYJMJH-GXSJLCMTSA-N 0 0 197.347 3.600 10 30 AHEERN CC[C@H](C)S[C@]1(C#N)CCC[C@@H]1C ZINC000086658318 573545209 /nfs/dbraw/zinc/54/52/09/573545209.db2.gz RVIKUCHJKNECLG-DCAQKATOSA-N 0 0 197.347 3.600 10 30 AHEERN CC[C@H](C)S[C@@]1(C#N)CCC[C@@H]1C ZINC000086658320 573548930 /nfs/dbraw/zinc/54/89/30/573548930.db2.gz RVIKUCHJKNECLG-GARJFASQSA-N 0 0 197.347 3.600 10 30 AHEERN C=CC[C@@]1(O)CCC[C@@H](CCC)CC1 ZINC000086716091 572973869 /nfs/dbraw/zinc/97/38/69/572973869.db2.gz RLLHQQCALLAMRH-CHWSQXEVSA-N 0 0 196.334 3.674 10 30 AHEERN C=CC[C@@]1(O)CCC[C@H](CCC)CC1 ZINC000086716093 572973395 /nfs/dbraw/zinc/97/33/95/572973395.db2.gz RLLHQQCALLAMRH-QWHCGFSZSA-N 0 0 196.334 3.674 10 30 AHEERN C=CC[C@]1(O)CCC[C@H](CCC)CC1 ZINC000086716096 572972922 /nfs/dbraw/zinc/97/29/22/572972922.db2.gz RLLHQQCALLAMRH-STQMWFEESA-N 0 0 196.334 3.674 10 30 AHEERN C=C(/C=C1/CCc2cc(N)ccc21)CC ZINC000086883468 572329478 /nfs/dbraw/zinc/32/94/78/572329478.db2.gz MIZWHDMBGLUJNX-FLIBITNWSA-N 0 0 199.297 3.565 10 30 AHEERN C=CCC/C=C1/CCc2cc(N)ccc21 ZINC000086883485 572329264 /nfs/dbraw/zinc/32/92/64/572329264.db2.gz ZUWASIOEBHXKKN-WZUFQYTHSA-N 0 0 199.297 3.565 10 30 AHEERN CCCSCCCCCCS ZINC000087097134 572363863 /nfs/dbraw/zinc/36/38/63/572363863.db2.gz AKBIFBZLVBTTJL-UHFFFAOYSA-N 0 0 192.393 3.620 10 30 AHEERN CC[C@@H](C)SCCCCCS ZINC000087097158 572363777 /nfs/dbraw/zinc/36/37/77/572363777.db2.gz MRLYJXDAHHQVPW-SECBINFHSA-N 0 0 192.393 3.618 10 30 AHEERN CC[C@H](C)SCCCCCS ZINC000087097159 572364385 /nfs/dbraw/zinc/36/43/85/572364385.db2.gz MRLYJXDAHHQVPW-VIFPVBQESA-N 0 0 192.393 3.618 10 30 AHEERN CCCCSCCCCCS ZINC000087097605 572363304 /nfs/dbraw/zinc/36/33/04/572363304.db2.gz WUWGJGNFXCOYEJ-UHFFFAOYSA-N 0 0 192.393 3.620 10 30 AHEERN CC(C)SCCCCCCS ZINC000087097723 573774597 /nfs/dbraw/zinc/77/45/97/573774597.db2.gz CFTUOVGANMKNTN-UHFFFAOYSA-N 0 0 192.393 3.618 10 30 AHEERN CCC(CC)[C@@H](C#N)c1cccs1 ZINC000087156014 572381231 /nfs/dbraw/zinc/38/12/31/572381231.db2.gz RSBBBQNFEOTSJJ-SNVBAGLBSA-N 0 0 193.315 3.791 10 30 AHEERN CCC(CC)[C@H](C#N)c1cccs1 ZINC000087156016 572381709 /nfs/dbraw/zinc/38/17/09/572381709.db2.gz RSBBBQNFEOTSJJ-JTQLQIEISA-N 0 0 193.315 3.791 10 30 AHEERN CCC(CC)[C@@H](C#N)SC(C)(C)C ZINC000087156033 572382438 /nfs/dbraw/zinc/38/24/38/572382438.db2.gz ZUYNVPSKSMILMT-SNVBAGLBSA-N 0 0 199.363 3.846 10 30 AHEERN CCC(CC)[C@H](C#N)SC(C)(C)C ZINC000087156035 572381000 /nfs/dbraw/zinc/38/10/00/572381000.db2.gz ZUYNVPSKSMILMT-JTQLQIEISA-N 0 0 199.363 3.846 10 30 AHEERN CCC(CC)[C@@H](C#N)SCC(C)C ZINC000087156037 572381366 /nfs/dbraw/zinc/38/13/66/572381366.db2.gz FRNDSCKOLMYWFD-LLVKDONJSA-N 0 0 199.363 3.704 10 30 AHEERN CCC(CC)[C@H](C#N)SCC(C)C ZINC000087156039 572380567 /nfs/dbraw/zinc/38/05/67/572380567.db2.gz FRNDSCKOLMYWFD-NSHDSACASA-N 0 0 199.363 3.704 10 30 AHEERN CCC(CC)[C@H](C#N)S[C@H](C)CC ZINC000087156041 572382300 /nfs/dbraw/zinc/38/23/00/572382300.db2.gz MESUFPOAEGGPEH-KOLCDFICSA-N 0 0 199.363 3.846 10 30 AHEERN CCC(CC)[C@H](C#N)S[C@@H](C)CC ZINC000087156044 572380335 /nfs/dbraw/zinc/38/03/35/572380335.db2.gz MESUFPOAEGGPEH-ONGXEEELSA-N 0 0 199.363 3.846 10 30 AHEERN CCC(CC)[C@@H](C#N)S[C@H](C)CC ZINC000087156046 572380537 /nfs/dbraw/zinc/38/05/37/572380537.db2.gz MESUFPOAEGGPEH-MWLCHTKSSA-N 0 0 199.363 3.846 10 30 AHEERN CCC(CC)[C@@H](C#N)S[C@@H](C)CC ZINC000087156048 572381543 /nfs/dbraw/zinc/38/15/43/572381543.db2.gz MESUFPOAEGGPEH-GXSJLCMTSA-N 0 0 199.363 3.846 10 30 AHEERN CCC(CC)C1=CC(=O)CC(C)(C)C1 ZINC000087174565 573813424 /nfs/dbraw/zinc/81/34/24/573813424.db2.gz MDXPQWJSSVROJK-UHFFFAOYSA-N 0 0 194.318 3.738 10 30 AHEERN CC1(C(=O)C2=CCCCC2)CCCC1 ZINC000087315829 573877986 /nfs/dbraw/zinc/87/79/86/573877986.db2.gz DAGNWLGXDJRUJO-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN CCC1(C(=O)C2=CCCC2)CCCC1 ZINC000087315831 573878649 /nfs/dbraw/zinc/87/86/49/573878649.db2.gz GAPLXNQZOGHING-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN C=CCOc1cc(C(C)C)ccc1C ZINC000087555391 572574872 /nfs/dbraw/zinc/57/48/72/572574872.db2.gz ZWFKMKHZUUTPHK-UHFFFAOYSA-N 0 0 190.286 3.683 10 30 AHEERN CC(C)=CC(=O)C1CCCCCCC1 ZINC000087690006 574017938 /nfs/dbraw/zinc/01/79/38/574017938.db2.gz HWFHULKVJBWIQB-UHFFFAOYSA-N 0 0 194.318 3.882 10 30 AHEERN C=CCCC(=O)C1CCCCCCC1 ZINC000087690008 572681162 /nfs/dbraw/zinc/68/11/62/572681162.db2.gz FUKUPAATULADBP-UHFFFAOYSA-N 0 0 194.318 3.882 10 30 AHEERN CCC1(C#N)CCCCCCC1 ZINC000087690032 574018066 /nfs/dbraw/zinc/01/80/66/574018066.db2.gz FDASUTVFGIKANJ-UHFFFAOYSA-N 0 0 165.280 3.651 10 30 AHEERN C=CCC[C@H](O)C1CCCCCCC1 ZINC000087690163 572681602 /nfs/dbraw/zinc/68/16/02/572681602.db2.gz UJCGVPYKENQLGW-ZDUSSCGKSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCC[C@@H](O)C1CCCCCCC1 ZINC000087690164 572679851 /nfs/dbraw/zinc/67/98/51/572679851.db2.gz UJCGVPYKENQLGW-CYBMUJFWSA-N 0 0 196.334 3.674 10 30 AHEERN C=C(CC)COc1cc(C)ccc1C ZINC000087924066 572750087 /nfs/dbraw/zinc/75/00/87/572750087.db2.gz ALZCQKJCXNWKOO-UHFFFAOYSA-N 0 0 190.286 3.648 10 30 AHEERN CC1CCC(C#N)(c2ccccc2)CC1 ZINC000088691768 572462219 /nfs/dbraw/zinc/46/22/19/572462219.db2.gz WDYKTKCUOKFPPU-UHFFFAOYSA-N 0 0 199.297 3.658 10 30 AHEERN [N-]=[N+]=Nc1cccc2sccc21 ZINC000089195322 351662894 /nfs/dbraw/zinc/66/28/94/351662894.db2.gz ZRSJUSFITJBXLD-UHFFFAOYSA-N 0 0 175.216 3.843 10 30 AHEERN [N-]=[N+]=Nc1ccc2ccsc2c1 ZINC000089195393 351663082 /nfs/dbraw/zinc/66/30/82/351663082.db2.gz PHIOCBULZVUMHC-UHFFFAOYSA-N 0 0 175.216 3.843 10 30 AHEERN C=C[C@H](C)/C=C/c1ccccc1 ZINC000090137236 343674496 /nfs/dbraw/zinc/67/44/96/343674496.db2.gz GFCADLFHRDMBEO-USKTWTLRSA-N 0 0 158.244 3.522 10 30 AHEERN C=C[C@@H](C)/C=C/c1ccccc1 ZINC000090137238 343674596 /nfs/dbraw/zinc/67/45/96/343674596.db2.gz GFCADLFHRDMBEO-PBQZMEPESA-N 0 0 158.244 3.522 10 30 AHEERN C=CCCCc1cc2ccccc2n1C ZINC000090735775 166167816 /nfs/dbraw/zinc/16/78/16/166167816.db2.gz KARZVIJDVBTITL-UHFFFAOYSA-N 0 0 199.297 3.687 10 30 AHEERN C=C(C)/C=C\c1ccc2[nH]ccc2c1 ZINC000090755766 166112629 /nfs/dbraw/zinc/11/26/29/166112629.db2.gz JZJBGWYDNDZHIE-ARJAWSKDSA-N 0 0 183.254 3.757 10 30 AHEERN Cc1ccccc1[C@]1(C#N)CCC[C@@H]1C ZINC000093955718 573978015 /nfs/dbraw/zinc/97/80/15/573978015.db2.gz WWIMCCHWXOGMIL-JSGCOSHPSA-N 0 0 199.297 3.576 10 30 AHEERN Cc1ccccc1[C@@]1(C#N)CCC[C@@H]1C ZINC000093955719 573978434 /nfs/dbraw/zinc/97/84/34/573978434.db2.gz WWIMCCHWXOGMIL-GXTWGEPZSA-N 0 0 199.297 3.576 10 30 AHEERN Cc1ccccc1[C@]1(C#N)CCC[C@H]1C ZINC000093955720 573976071 /nfs/dbraw/zinc/97/60/71/573976071.db2.gz WWIMCCHWXOGMIL-OCCSQVGLSA-N 0 0 199.297 3.576 10 30 AHEERN Cc1ccccc1[C@@]1(C#N)CCC[C@H]1C ZINC000093955721 573977094 /nfs/dbraw/zinc/97/70/94/573977094.db2.gz WWIMCCHWXOGMIL-TZMCWYRMSA-N 0 0 199.297 3.576 10 30 AHEERN Cc1cccc([C@]2(C#N)CCC[C@@H]2C)c1 ZINC000093955806 573980190 /nfs/dbraw/zinc/98/01/90/573980190.db2.gz YLOYBUAPOXTKDM-JSGCOSHPSA-N 0 0 199.297 3.576 10 30 AHEERN Cc1cccc([C@@]2(C#N)CCC[C@@H]2C)c1 ZINC000093955807 573978964 /nfs/dbraw/zinc/97/89/64/573978964.db2.gz YLOYBUAPOXTKDM-GXTWGEPZSA-N 0 0 199.297 3.576 10 30 AHEERN Cc1cccc([C@]2(C#N)CCC[C@H]2C)c1 ZINC000093955808 573979467 /nfs/dbraw/zinc/97/94/67/573979467.db2.gz YLOYBUAPOXTKDM-OCCSQVGLSA-N 0 0 199.297 3.576 10 30 AHEERN Cc1cccc([C@@]2(C#N)CCC[C@H]2C)c1 ZINC000093955809 573980314 /nfs/dbraw/zinc/98/03/14/573980314.db2.gz YLOYBUAPOXTKDM-TZMCWYRMSA-N 0 0 199.297 3.576 10 30 AHEERN Cc1ccc([C@]2(C#N)CCC[C@@H]2C)cc1 ZINC000093955810 573977451 /nfs/dbraw/zinc/97/74/51/573977451.db2.gz RAEWQRNCDHALAS-JSGCOSHPSA-N 0 0 199.297 3.576 10 30 AHEERN Cc1ccc([C@@]2(C#N)CCC[C@@H]2C)cc1 ZINC000093955811 573975959 /nfs/dbraw/zinc/97/59/59/573975959.db2.gz RAEWQRNCDHALAS-GXTWGEPZSA-N 0 0 199.297 3.576 10 30 AHEERN Cc1ccc([C@]2(C#N)CCC[C@H]2C)cc1 ZINC000093955812 573976606 /nfs/dbraw/zinc/97/66/06/573976606.db2.gz RAEWQRNCDHALAS-OCCSQVGLSA-N 0 0 199.297 3.576 10 30 AHEERN Cc1ccc([C@@]2(C#N)CCC[C@H]2C)cc1 ZINC000093955813 573977001 /nfs/dbraw/zinc/97/70/01/573977001.db2.gz RAEWQRNCDHALAS-TZMCWYRMSA-N 0 0 199.297 3.576 10 30 AHEERN C=C(C)/C=C/c1ccc2cc[nH]c2c1 ZINC000095486026 560061798 /nfs/dbraw/zinc/06/17/98/560061798.db2.gz QIIFHOAHEFIPRF-ONEGZZNKSA-N 0 0 183.254 3.757 10 30 biogenic,in-vitro AHEERN CCCCCCCC/C=C/OC ZINC000095618228 171136543 /nfs/dbraw/zinc/13/65/43/171136543.db2.gz OVQHJRCXRNGXRJ-ZHACJKMWSA-N 0 0 170.296 3.897 10 30 endogenous,in-man AHEERN CCCCCC#Cc1cccs1 ZINC000095726933 343685978 /nfs/dbraw/zinc/68/59/78/343685978.db2.gz RNAJSUMFXRLJEW-UHFFFAOYSA-N 0 0 178.300 3.680 10 30 AHEERN CCCCCCC[C@@H]1CCCO1 ZINC000095793014 343687517 /nfs/dbraw/zinc/68/75/17/343687517.db2.gz VBQKNJGYWOBPMY-LLVKDONJSA-N 0 0 170.296 3.526 10 30 AHEERN CCCCCCC[C@H]1CCCO1 ZINC000095793015 343687551 /nfs/dbraw/zinc/68/75/51/343687551.db2.gz VBQKNJGYWOBPMY-NSHDSACASA-N 0 0 170.296 3.526 10 30 AHEERN CCCCCCCC[C@@H](C)C=O ZINC000095811697 166850421 /nfs/dbraw/zinc/85/04/21/166850421.db2.gz LBICMZLDYMBIGA-LLVKDONJSA-N 0 0 170.296 3.572 10 30 AHEERN C=CC[C@H](CC)CCCC ZINC000095902369 343689142 /nfs/dbraw/zinc/68/91/42/343689142.db2.gz PNMREIZXHOBCMA-JTQLQIEISA-N 0 0 140.270 3.779 10 30 AHEERN C=CC[C@@H](CC)CCCC ZINC000095902370 343689214 /nfs/dbraw/zinc/68/92/14/343689214.db2.gz PNMREIZXHOBCMA-SNVBAGLBSA-N 0 0 140.270 3.779 10 30 AHEERN C=CCCc1ccc(C(C)C)cc1 ZINC000095902373 166169800 /nfs/dbraw/zinc/16/98/00/166169800.db2.gz VWDYPXADTPQBRH-UHFFFAOYSA-N 0 0 174.287 3.929 10 30 AHEERN C=CCc1c(C)ccc2ccccc21 ZINC000095902379 537945799 /nfs/dbraw/zinc/94/57/99/537945799.db2.gz YEIZHYZRUHNGQY-UHFFFAOYSA-N 0 0 182.266 3.877 10 30 AHEERN C=CC[C@H](C)c1ccc(F)cc1 ZINC000095923607 166203729 /nfs/dbraw/zinc/20/37/29/166203729.db2.gz QZNNUNGHOREEBP-VIFPVBQESA-N 0 0 164.223 3.505 10 30 AHEERN C=CC[C@@H](C)c1ccc(F)cc1 ZINC000095923608 166198453 /nfs/dbraw/zinc/19/84/53/166198453.db2.gz QZNNUNGHOREEBP-SECBINFHSA-N 0 0 164.223 3.505 10 30 AHEERN C=CCC[C@H](C)Nc1ccccc1F ZINC000096034334 166169552 /nfs/dbraw/zinc/16/95/52/166169552.db2.gz ZGIHDUHBLPKHTI-JTQLQIEISA-N 0 0 193.265 3.592 10 30 AHEERN C=CCC[C@@H](C)Nc1ccccc1F ZINC000096034335 166170220 /nfs/dbraw/zinc/17/02/20/166170220.db2.gz ZGIHDUHBLPKHTI-SNVBAGLBSA-N 0 0 193.265 3.592 10 30 AHEERN C#Cc1ccc(-c2ccccc2C)cc1 ZINC000098181074 166041893 /nfs/dbraw/zinc/04/18/93/166041893.db2.gz VEWQNKABGVYDAZ-UHFFFAOYSA-N 0 0 192.261 3.643 10 30 AHEERN C#Cc1ccccc1-c1ccc(C)cc1 ZINC000098181075 171199581 /nfs/dbraw/zinc/19/95/81/171199581.db2.gz PEGQQCSIBMHOIT-UHFFFAOYSA-N 0 0 192.261 3.643 10 30 AHEERN C#Cc1ccccc1-c1ccccc1C ZINC000098181076 171199743 /nfs/dbraw/zinc/19/97/43/171199743.db2.gz UQQHKUGACUPQNL-UHFFFAOYSA-N 0 0 192.261 3.643 10 30 AHEERN CCCCCCCC/C=C\CC=O ZINC000100004899 171143126 /nfs/dbraw/zinc/14/31/26/171143126.db2.gz HBBONAOKVLYWBI-KTKRTIGZSA-N 0 0 182.307 3.882 10 30 AHEERN C=CCCc1cc(F)ccc1C=C ZINC000100034086 166168915 /nfs/dbraw/zinc/16/89/15/166168915.db2.gz FACWPLRSZMPGFS-UHFFFAOYSA-N 0 0 176.234 3.587 10 30 AHEERN C=CCCCCc1ccc(C)cc1 ZINC000100041253 171162419 /nfs/dbraw/zinc/16/24/19/171162419.db2.gz XLQZKMRSIVFKOV-UHFFFAOYSA-N 0 0 174.287 3.894 10 30 AHEERN CCCCCC/C=C1/CCCC1=O ZINC000100050542 166847977 /nfs/dbraw/zinc/84/79/77/166847977.db2.gz PBNMXJOZTAVFCR-FLIBITNWSA-N 0 0 180.291 3.636 10 30 AHEERN CCCCCC/C=C1\CCCC1=O ZINC000100068086 343710168 /nfs/dbraw/zinc/71/01/68/343710168.db2.gz PBNMXJOZTAVFCR-DHZHZOJOSA-N 0 0 180.291 3.636 10 30 AHEERN CCCCCCCCc1ccccn1 ZINC000100071135 166850269 /nfs/dbraw/zinc/85/02/69/166850269.db2.gz JGVIYCAYGMXJBC-UHFFFAOYSA-N 0 0 191.318 3.985 10 30 AHEERN CCCCCCCc1cccnc1 ZINC000100071141 343710426 /nfs/dbraw/zinc/71/04/26/343710426.db2.gz YQXWJSLWMQLIAC-UHFFFAOYSA-N 0 0 177.291 3.595 10 30 AHEERN CCCCCCCCc1cccnc1 ZINC000100071143 343710362 /nfs/dbraw/zinc/71/03/62/343710362.db2.gz VRSLSMSXIFJONL-UHFFFAOYSA-N 0 0 191.318 3.985 10 30 AHEERN CCCCCCCc1ccncc1 ZINC000100071146 343710390 /nfs/dbraw/zinc/71/03/90/343710390.db2.gz JOSRHPJBIOMTCK-UHFFFAOYSA-N 0 0 177.291 3.595 10 30 AHEERN CCCCCCC[C@H](O)c1ccco1 ZINC000100082027 409441594 /nfs/dbraw/zinc/44/15/94/409441594.db2.gz CIGBORPAYIDGBE-NSHDSACASA-N 0 0 196.290 3.674 10 30 AHEERN CCCCCCC[C@@H](O)c1ccco1 ZINC000100082029 409441580 /nfs/dbraw/zinc/44/15/80/409441580.db2.gz CIGBORPAYIDGBE-LLVKDONJSA-N 0 0 196.290 3.674 10 30 AHEERN CC(=O)/C=C/[C@H]1[C@@H](C)CCCC1(C)C ZINC000100096031 171143680 /nfs/dbraw/zinc/14/36/80/171143680.db2.gz YJRODKCOICMRBO-HUAGXHDJSA-N 0 0 194.318 3.594 10 30 AHEERN CCCCCCCC[C@@H](CC)CO ZINC000100097276 573870065 /nfs/dbraw/zinc/87/00/65/573870065.db2.gz LTHQZRHTXDZWGX-GFCCVEGCSA-N 0 0 186.339 3.756 10 30 AHEERN CCCCCCCCC(C)=O ZINC000100114563 166140041 /nfs/dbraw/zinc/14/00/41/166140041.db2.gz LDSZNKOYKQUZJL-UHFFFAOYSA-N 0 0 156.269 3.809 10 30 AHEERN C=C1CCCC(C)(C)[C@@H]1C(=O)/C=C/C ZINC000100154423 166145307 /nfs/dbraw/zinc/14/53/07/166145307.db2.gz IXLLBXDECOMIBP-PZBABLGHSA-N 0 0 192.302 3.514 10 30 AHEERN C=C1CCCC(C)(C)[C@H]1C(=O)/C=C/C ZINC000100154428 166143181 /nfs/dbraw/zinc/14/31/81/166143181.db2.gz IXLLBXDECOMIBP-HOSRBBHYSA-N 0 0 192.302 3.514 10 30 AHEERN CC(C)=CC[C@H]1C(C)=CC(=O)C[C@@H]1C ZINC000100220459 573782324 /nfs/dbraw/zinc/78/23/24/573782324.db2.gz ZRDNXUZULKEEKI-AAEUAGOBSA-N 0 0 192.302 3.514 10 30 AHEERN C#C[C@@H](O)CCCCCCCCCC ZINC000100225497 571785834 /nfs/dbraw/zinc/78/58/34/571785834.db2.gz NBXOZWAKVAGNDB-CYBMUJFWSA-N 0 0 196.334 3.511 10 30 AHEERN C#C[C@H](O)CCCCCCCCCC ZINC000100225499 571786982 /nfs/dbraw/zinc/78/69/82/571786982.db2.gz NBXOZWAKVAGNDB-ZDUSSCGKSA-N 0 0 196.334 3.511 10 30 AHEERN CC(=O)[C@H](C)CCCC(C)C ZINC000100235944 166138550 /nfs/dbraw/zinc/13/85/50/166138550.db2.gz WZRRRLLETLZJGO-SECBINFHSA-N 0 0 156.269 3.521 10 30 AHEERN CC(=O)[C@@H](C)CCCC(C)C ZINC000100235945 166139983 /nfs/dbraw/zinc/13/99/83/166139983.db2.gz WZRRRLLETLZJGO-VIFPVBQESA-N 0 0 156.269 3.521 10 30 AHEERN CC=C1C(CC)=C(CC)C(=O)[C@H]1CC ZINC000100277328 166067741 /nfs/dbraw/zinc/06/77/41/166067741.db2.gz VJRURBOCVFISLY-GWZUUTHWSA-N 0 0 192.302 3.658 10 30 AHEERN C/C=C/C(=O)[C@]1(C)CC[C@H](C(C)C)C1 ZINC000100277654 171144679 /nfs/dbraw/zinc/14/46/79/171144679.db2.gz ZECUKDCVDVHCMK-LRLQIDNFSA-N 0 0 194.318 3.594 10 30 AHEERN CCCCCC/C=C/OCC ZINC000100291599 343714763 /nfs/dbraw/zinc/71/47/63/343714763.db2.gz ZMHXVWJGPYCKMF-MDZDMXLPSA-N 0 0 156.269 3.507 10 30 AHEERN CCCCCCC#CC[C@@H](C)CC=O ZINC000100292507 571900857 /nfs/dbraw/zinc/90/08/57/571900857.db2.gz YRRVPGRVUWIKKF-CYBMUJFWSA-N 0 0 194.318 3.575 10 30 AHEERN CCCCCCC#CC[C@H](C)CC=O ZINC000100292510 571899060 /nfs/dbraw/zinc/89/90/60/571899060.db2.gz YRRVPGRVUWIKKF-ZDUSSCGKSA-N 0 0 194.318 3.575 10 30 AHEERN CCCCCCC/C=C\[C@H](O)CC ZINC000100293535 573793766 /nfs/dbraw/zinc/79/37/66/573793766.db2.gz NQHPXPNPPHMWNP-NLYDNYMLSA-N 0 0 184.323 3.674 10 30 AHEERN CCCCCCC/C=C/[C@H](O)CC ZINC000100293536 571900606 /nfs/dbraw/zinc/90/06/06/571900606.db2.gz NQHPXPNPPHMWNP-HCRIHEDKSA-N 0 0 184.323 3.674 10 30 AHEERN CCCCCCC/C=C/[C@@H](O)CC ZINC000100293541 571899442 /nfs/dbraw/zinc/89/94/42/571899442.db2.gz NQHPXPNPPHMWNP-IIANPFDCSA-N 0 0 184.323 3.674 10 30 AHEERN CCCCCCCC[C@H]1CCCO1 ZINC000100299847 571904733 /nfs/dbraw/zinc/90/47/33/571904733.db2.gz VDXKQHNJUOPHFV-LBPRGKRZSA-N 0 0 184.323 3.916 10 30 AHEERN CCCCCCCCN1C=CCS1 ZINC000100313160 571916048 /nfs/dbraw/zinc/91/60/48/571916048.db2.gz CUMFBSFGYFKZSA-UHFFFAOYSA-N 0 0 199.363 3.824 10 30 AHEERN C/C=C/C(=O)[C@@H]1CC=C(C)CC1(C)C ZINC000100350351 343715687 /nfs/dbraw/zinc/71/56/87/343715687.db2.gz RPBGCXLSUJNODQ-QRGHLMKCSA-N 0 0 192.302 3.514 10 30 AHEERN C/C=C/C(=O)[C@H]1CC=C(C)CC1(C)C ZINC000100350357 343715634 /nfs/dbraw/zinc/71/56/34/343715634.db2.gz RPBGCXLSUJNODQ-MVIFTORASA-N 0 0 192.302 3.514 10 30 AHEERN CCCCC#CCCCCCC ZINC000101468059 573872179 /nfs/dbraw/zinc/87/21/79/573872179.db2.gz KUNIUPLOXQDGIZ-UHFFFAOYSA-N 0 0 165.300 3.965 10 30 AHEERN CCCCCCCC(C)C ZINC000101468115 573871073 /nfs/dbraw/zinc/87/10/73/573871073.db2.gz WKMVJBYKURUCIE-UHFFFAOYSA-N 0 0 141.278 3.961 10 30 AHEERN C/C=C/C(=O)c1cccc2ccccc21 ZINC000101475059 573873532 /nfs/dbraw/zinc/87/35/32/573873532.db2.gz FEDLUXBEDAPEAU-QHHAFSJGSA-N 0 0 196.249 3.599 10 30 AHEERN CCCCCCC[C@@H](C)C#N ZINC000101632431 571703614 /nfs/dbraw/zinc/70/36/14/571703614.db2.gz YZBWLYWBKFUJNQ-SNVBAGLBSA-N 0 0 153.269 3.507 10 30 AHEERN CCCCCCC[C@H](C)C#N ZINC000101632435 571700031 /nfs/dbraw/zinc/70/00/31/571700031.db2.gz YZBWLYWBKFUJNQ-JTQLQIEISA-N 0 0 153.269 3.507 10 30 AHEERN CCCCCCCCOCCCC#N ZINC000102023940 571701053 /nfs/dbraw/zinc/70/10/53/571701053.db2.gz AATZKGQQYIDXSC-UHFFFAOYSA-N 0 0 197.322 3.667 10 30 AHEERN CCCCCCC[C@H](CC)C(C)=O ZINC000103334556 166850836 /nfs/dbraw/zinc/85/08/36/166850836.db2.gz PBVHTZBGVKOJEN-LBPRGKRZSA-N 0 0 184.323 3.962 10 30 AHEERN CCCCCCCC(F)(F)F ZINC000103525473 171147366 /nfs/dbraw/zinc/14/73/66/171147366.db2.gz FHMDVJKRMUAZOO-UHFFFAOYSA-N 0 0 168.202 3.909 10 30 AHEERN C=C([C@H](C)CC)[C@@H](C)CC ZINC000104368908 343731174 /nfs/dbraw/zinc/73/11/74/343731174.db2.gz HYWMEQDPWJHDKF-DTORHVGOSA-N 0 0 140.270 3.635 10 30 AHEERN C=C([C@@H](C)CC)[C@@H](C)CC ZINC000104368910 343731134 /nfs/dbraw/zinc/73/11/34/343731134.db2.gz HYWMEQDPWJHDKF-IUCAKERBSA-N 0 0 140.270 3.635 10 30 AHEERN CC(C)(C)C(C)(C)C(C)(C)S ZINC000104394275 573971910 /nfs/dbraw/zinc/97/19/10/573971910.db2.gz MQMRQNDAUWDOSB-UHFFFAOYSA-N 0 0 174.353 3.767 10 30 AHEERN C=CCC(=O)c1ccc(C(C)C)cc1 ZINC000104469017 166163251 /nfs/dbraw/zinc/16/32/51/166163251.db2.gz BDNIMENBXGLRDX-UHFFFAOYSA-N 0 0 188.270 3.569 10 30 AHEERN CS/C(C)=N/c1ccc(Cl)cc1 ZINC000104496721 574014073 /nfs/dbraw/zinc/01/40/73/574014073.db2.gz ANBBPJDCAOJXAR-YRNVUSSQSA-N 0 0 199.706 3.753 10 30 AHEERN C[C@]12C[C@@H]3C[C@](C#N)(C1)C[C@@](C)(C3)C2 ZINC000104526198 572994599 /nfs/dbraw/zinc/99/45/99/572994599.db2.gz OEXPKZUHIXLJBX-WNGYAQOMSA-N 0 0 189.302 3.507 10 30 AHEERN C=CCc1ccoc1-c1ccccc1 ZINC000104835304 166208582 /nfs/dbraw/zinc/20/85/82/166208582.db2.gz KENVIHOXMFGLCT-UHFFFAOYSA-N 0 0 184.238 3.675 10 30 AHEERN CCCCCCC[C@H]1OC1(C)C ZINC000104835550 166850708 /nfs/dbraw/zinc/85/07/08/166850708.db2.gz HZFUHQQYUPQHGH-SNVBAGLBSA-N 0 0 170.296 3.524 10 30 AHEERN C=C(C)C1(C)CCCCC1 ZINC000104837539 166115460 /nfs/dbraw/zinc/11/54/60/166115460.db2.gz GRWRWBPVDAEEOO-UHFFFAOYSA-N 0 0 138.254 3.533 10 30 AHEERN C=CC[C@]1(C)CC[C@@H](C(=C)C)CC1=O ZINC000104838166 166206120 /nfs/dbraw/zinc/20/61/20/166206120.db2.gz GFJVWICXWUUERU-DGCLKSJQSA-N 0 0 192.302 3.514 10 30 AHEERN C=CC[C@]1(C)CC[C@H](C(=C)C)CC1=O ZINC000104838168 166205386 /nfs/dbraw/zinc/20/53/86/166205386.db2.gz GFJVWICXWUUERU-WCQYABFASA-N 0 0 192.302 3.514 10 30 AHEERN C=CC[C@@]1(C)CC[C@@H](C(=C)C)CC1=O ZINC000104838174 166202315 /nfs/dbraw/zinc/20/23/15/166202315.db2.gz GFJVWICXWUUERU-YPMHNXCESA-N 0 0 192.302 3.514 10 30 AHEERN C=CC[C@@]1(C)CC[C@H](C(=C)C)CC1=O ZINC000104838179 166202417 /nfs/dbraw/zinc/20/24/17/166202417.db2.gz GFJVWICXWUUERU-AAEUAGOBSA-N 0 0 192.302 3.514 10 30 AHEERN C=CCSC=C1CCCCC1 ZINC000104841302 166199069 /nfs/dbraw/zinc/19/90/69/166199069.db2.gz ANPCVMFHOREQRH-UHFFFAOYSA-N 0 0 168.305 3.754 10 30 AHEERN C=CC1(C=O)CCC(C(C)(C)C)CC1 ZINC000104842327 166162806 /nfs/dbraw/zinc/16/28/06/166162806.db2.gz JAMXZXHGGXJSLT-UHFFFAOYSA-N 0 0 194.318 3.594 10 30 AHEERN CCCCCCC[C@@H]1CCC[C@@H]1O ZINC000105751919 343737277 /nfs/dbraw/zinc/73/72/77/343737277.db2.gz CZAIWEPEOXGMIV-NEPJUHHUSA-N 0 0 184.323 3.508 10 30 AHEERN CCCCCCC[C@H]1CCC[C@@H]1O ZINC000105751924 343737130 /nfs/dbraw/zinc/73/71/30/343737130.db2.gz CZAIWEPEOXGMIV-RYUDHWBXSA-N 0 0 184.323 3.508 10 30 AHEERN CCCCCCC[C@@H]1CCC[C@H]1O ZINC000105751929 343737308 /nfs/dbraw/zinc/73/73/08/343737308.db2.gz CZAIWEPEOXGMIV-VXGBXAGGSA-N 0 0 184.323 3.508 10 30 AHEERN CCCCCCC[C@H]1CCC[C@H]1O ZINC000105751931 343737191 /nfs/dbraw/zinc/73/71/91/343737191.db2.gz CZAIWEPEOXGMIV-NWDGAFQWSA-N 0 0 184.323 3.508 10 30 AHEERN CCCCCCCC[C@@H](O)C(C)C ZINC000105753252 573280649 /nfs/dbraw/zinc/28/06/49/573280649.db2.gz YOZVHCUUMOCJNG-GFCCVEGCSA-N 0 0 186.339 3.754 10 30 AHEERN CC(C)C[C@@H](CC=O)C1CCCCC1 ZINC000107187081 573088211 /nfs/dbraw/zinc/08/82/11/573088211.db2.gz ZCUFQJJXYIFRGR-CYBMUJFWSA-N 0 0 196.334 3.818 10 30 AHEERN CC1(C)CCC(CCC#N)CC1 ZINC000107402567 573571254 /nfs/dbraw/zinc/57/12/54/573571254.db2.gz ZVEONRLGXHVYFB-UHFFFAOYSA-N 0 0 165.280 3.507 10 30 AHEERN C#CC[C@@H](CC)c1ccc(C)cc1F ZINC000107509252 573295002 /nfs/dbraw/zinc/29/50/02/573295002.db2.gz QJXUYGLARVKNNW-LLVKDONJSA-N 0 0 190.261 3.651 10 30 AHEERN CC#CC[C@@H](C)c1sccc1C ZINC000107541719 573636234 /nfs/dbraw/zinc/63/62/34/573636234.db2.gz IKWBAJDEXZXDNW-SECBINFHSA-N 0 0 178.300 3.573 10 30 AHEERN CC#CC[C@H](C)c1sccc1C ZINC000107541721 573545257 /nfs/dbraw/zinc/54/52/57/573545257.db2.gz IKWBAJDEXZXDNW-VIFPVBQESA-N 0 0 178.300 3.573 10 30 AHEERN CCC#CC[C@@H](C)c1sccc1C ZINC000107541823 573637728 /nfs/dbraw/zinc/63/77/28/573637728.db2.gz RTSBQDFDYMLGBJ-SNVBAGLBSA-N 0 0 192.327 3.964 10 30 AHEERN CCC#CC[C@H](C)c1sccc1C ZINC000107541825 573541130 /nfs/dbraw/zinc/54/11/30/573541130.db2.gz RTSBQDFDYMLGBJ-JTQLQIEISA-N 0 0 192.327 3.964 10 30 AHEERN C#CC[C@H](CC)c1sccc1C ZINC000107541829 573543812 /nfs/dbraw/zinc/54/38/12/573543812.db2.gz ZCQDEYBJZMBDDK-JTQLQIEISA-N 0 0 178.300 3.573 10 30 AHEERN C#CC[C@@H](CC)c1sccc1C ZINC000107541832 573544801 /nfs/dbraw/zinc/54/48/01/573544801.db2.gz ZCQDEYBJZMBDDK-SNVBAGLBSA-N 0 0 178.300 3.573 10 30 AHEERN C=CC[C@H](C)c1sccc1C ZINC000107541885 573546103 /nfs/dbraw/zinc/54/61/03/573546103.db2.gz SCFSNSZSIOUJSW-QMMMGPOBSA-N 0 0 166.289 3.736 10 30 AHEERN C=CC[C@@H](C)c1sccc1C ZINC000107541887 573541303 /nfs/dbraw/zinc/54/13/03/573541303.db2.gz SCFSNSZSIOUJSW-MRVPVSSYSA-N 0 0 166.289 3.736 10 30 AHEERN C=CC[C@H](C)c1ccc(C)cc1 ZINC000107558277 166203428 /nfs/dbraw/zinc/20/34/28/166203428.db2.gz FPJJFVCUOPDCSO-NSHDSACASA-N 0 0 160.260 3.675 10 30 AHEERN C=CC[C@@H](C)c1ccc(C)cc1 ZINC000107558279 166198446 /nfs/dbraw/zinc/19/84/46/166198446.db2.gz FPJJFVCUOPDCSO-LLVKDONJSA-N 0 0 160.260 3.675 10 30 AHEERN C=CC[C@H](C)c1ccc(F)c(C)c1 ZINC000107560474 573636939 /nfs/dbraw/zinc/63/69/39/573636939.db2.gz MMXQXODGRCGPFX-VIFPVBQESA-N 0 0 178.250 3.814 10 30 AHEERN CCCCCCC[C@H](O)C(C)(C)C ZINC000109558043 573857162 /nfs/dbraw/zinc/85/71/62/573857162.db2.gz RJOQFAZZFIIVCA-NSHDSACASA-N 0 0 186.339 3.754 10 30 AHEERN CCCCCCCC(=O)[C@@H](C)CC ZINC000111193304 171167054 /nfs/dbraw/zinc/16/70/54/171167054.db2.gz MDCYTGPGGBBMFO-NSHDSACASA-N 0 0 184.323 3.962 10 30 AHEERN CCCCCCCC(=O)[C@H](C)CC ZINC000111193307 171166667 /nfs/dbraw/zinc/16/66/67/171166667.db2.gz MDCYTGPGGBBMFO-LLVKDONJSA-N 0 0 184.323 3.962 10 30 AHEERN CCCCCCCC(=O)c1cc[nH]c1 ZINC000111194797 343753710 /nfs/dbraw/zinc/75/37/10/343753710.db2.gz RIUYABVRXQBKJW-UHFFFAOYSA-N 0 0 193.290 3.558 10 30 AHEERN C=C(C)CCC/C(C)=C\C ZINC000111348182 343754254 /nfs/dbraw/zinc/75/42/54/343754254.db2.gz RKWJBEQYNAAFTH-YHYXMXQVSA-N 0 0 138.254 3.699 10 30 AHEERN C=C(C)[C@@H]1CCC(C)=C(C)C1 ZINC000111354712 343754178 /nfs/dbraw/zinc/75/41/78/343754178.db2.gz DJNBXADZJNAMQR-LLVKDONJSA-N 0 0 150.265 3.699 10 30 AHEERN C=C(C)[C@H]1CCC(C)=C(C)C1 ZINC000111354714 343754210 /nfs/dbraw/zinc/75/42/10/343754210.db2.gz DJNBXADZJNAMQR-NSHDSACASA-N 0 0 150.265 3.699 10 30 AHEERN C#C[C@@H](/C=C\CCCC)CCC ZINC000111365381 571860195 /nfs/dbraw/zinc/86/01/95/571860195.db2.gz ZYWLODQNXNNHOV-UCQJPZFISA-N 0 0 164.292 3.782 10 30 AHEERN C#C[C@H](/C=C\CCCC)CCC ZINC000111365385 571861309 /nfs/dbraw/zinc/86/13/09/571861309.db2.gz ZYWLODQNXNNHOV-MMRAYRKESA-N 0 0 164.292 3.782 10 30 AHEERN C=CCC/C(C)=C\CC/C(C)=C\CO ZINC000111387671 571861357 /nfs/dbraw/zinc/86/13/57/571861357.db2.gz WQXFVPKLJFVDBI-KDVDBFTISA-N 0 0 194.318 3.618 10 30 AHEERN C=CCC/C(C)=C/CC/C(C)=C/CO ZINC000111387672 571860098 /nfs/dbraw/zinc/86/00/98/571860098.db2.gz WQXFVPKLJFVDBI-SDCOAONHSA-N 0 0 194.318 3.618 10 30 AHEERN CCCCCCC/C=C\CCC=O ZINC000111426148 166849391 /nfs/dbraw/zinc/84/93/91/166849391.db2.gz MMCDSVCBSAMNPL-HJWRWDBZSA-N 0 0 182.307 3.882 10 30 AHEERN CCCCCCC/C=C/CCC=O ZINC000111426151 343754666 /nfs/dbraw/zinc/75/46/66/343754666.db2.gz MMCDSVCBSAMNPL-CMDGGOBGSA-N 0 0 182.307 3.882 10 30 AHEERN C/C=C\C(=O)CCCCCCCC ZINC000111464230 571864699 /nfs/dbraw/zinc/86/46/99/571864699.db2.gz RBDKOLXWSXOZLC-WMZJFQQLSA-N 0 0 182.307 3.882 10 30 AHEERN C1=C2/O[C@H]2CCCCCCC\C=C/1 ZINC000111874920 166080078 /nfs/dbraw/zinc/08/00/78/166080078.db2.gz APOHERQVXMYBFG-GWSYSJSVSA-N 0 0 178.275 3.570 10 30 AHEERN CCCCCCCC[C@@H](C)CC=O ZINC000111892053 343754827 /nfs/dbraw/zinc/75/48/27/343754827.db2.gz SXYARAIVIPVMGK-GFCCVEGCSA-N 0 0 184.323 3.962 10 30 AHEERN CCCCCCCC[C@H](C)CC=O ZINC000111892057 343754799 /nfs/dbraw/zinc/75/47/99/343754799.db2.gz SXYARAIVIPVMGK-LBPRGKRZSA-N 0 0 184.323 3.962 10 30 AHEERN CCCCCCCCn1ccc(C)n1 ZINC000112563282 574038444 /nfs/dbraw/zinc/03/84/44/574038444.db2.gz BOORCTUFXKSFEC-UHFFFAOYSA-N 0 0 194.322 3.552 10 30 AHEERN CCCCCCC[C@H](C=O)CC ZINC000112939187 572184271 /nfs/dbraw/zinc/18/42/71/572184271.db2.gz LTIQXSCCXOWRQE-LLVKDONJSA-N 0 0 170.296 3.572 10 30 AHEERN CCCCCCCCCC=O ZINC000113184098 574047853 /nfs/dbraw/zinc/04/78/53/574047853.db2.gz ICQJNCNVUCTBHZ-MDZDMXLPSA-N 0 0 156.269 3.809 10 30 AHEERN C=C(CCC)CCCCC ZINC000113200187 574047474 /nfs/dbraw/zinc/04/74/74/574047474.db2.gz ITKIOIGYCHMPKI-UHFFFAOYSA-N 0 0 140.270 3.923 10 30 AHEERN CCCCCCC[C@@H](C)C[C@H](C)O ZINC000113238630 574047878 /nfs/dbraw/zinc/04/78/78/574047878.db2.gz YAZPEIAPZNVVRW-NEPJUHHUSA-N 0 0 186.339 3.754 10 30 AHEERN CCCCCCCC1CC1 ZINC000113269679 572996469 /nfs/dbraw/zinc/99/64/69/572996469.db2.gz IOXWFTVRRBRZFA-UHFFFAOYSA-N 0 0 140.270 3.757 10 30 AHEERN C=CC[C@@H](C=C)c1ccccc1 ZINC000113330070 343758343 /nfs/dbraw/zinc/75/83/43/343758343.db2.gz MLOYWDLVXDGQLG-LLVKDONJSA-N 0 0 158.244 3.532 10 30 AHEERN CC(C)[C@H](C)CC[C@H](C)CC#N ZINC000113360677 571875608 /nfs/dbraw/zinc/87/56/08/571875608.db2.gz XOPLBXMGZYDABL-WDEREUQCSA-N 0 0 167.296 3.608 10 30 AHEERN CC(C)[C@H](C)CC[C@@H](C)CC#N ZINC000113360678 571875554 /nfs/dbraw/zinc/87/55/54/571875554.db2.gz XOPLBXMGZYDABL-GHMZBOCLSA-N 0 0 167.296 3.608 10 30 AHEERN CC(C)[C@@H](C)CC[C@H](C)CC#N ZINC000113360680 571875652 /nfs/dbraw/zinc/87/56/52/571875652.db2.gz XOPLBXMGZYDABL-QWRGUYRKSA-N 0 0 167.296 3.608 10 30 AHEERN CC(C)[C@@H](C)CC[C@@H](C)CC#N ZINC000113360681 571877405 /nfs/dbraw/zinc/87/74/05/571877405.db2.gz XOPLBXMGZYDABL-MNOVXSKESA-N 0 0 167.296 3.608 10 30 AHEERN C[C@H](CC#N)CC[C@@]1(C)CC1(C)C ZINC000113361507 571875134 /nfs/dbraw/zinc/87/51/34/571875134.db2.gz ULPSIGCSKZVCHA-JQWIXIFHSA-N 0 0 179.307 3.753 10 30 AHEERN C[C@@H](CC#N)CC[C@@]1(C)CC1(C)C ZINC000113361509 571874891 /nfs/dbraw/zinc/87/48/91/571874891.db2.gz ULPSIGCSKZVCHA-PWSUYJOCSA-N 0 0 179.307 3.753 10 30 AHEERN C[C@H](CC#N)CC[C@]1(C)CC1(C)C ZINC000113361511 571873314 /nfs/dbraw/zinc/87/33/14/571873314.db2.gz ULPSIGCSKZVCHA-CMPLNLGQSA-N 0 0 179.307 3.753 10 30 AHEERN C[C@@H](CC#N)CC[C@]1(C)CC1(C)C ZINC000113361514 571875040 /nfs/dbraw/zinc/87/50/40/571875040.db2.gz ULPSIGCSKZVCHA-ZYHUDNBSSA-N 0 0 179.307 3.753 10 30 AHEERN CCCCCCCC[C@H](C)CCO ZINC000113361881 571874810 /nfs/dbraw/zinc/87/48/10/571874810.db2.gz CTVPPKBJEDDIHQ-LBPRGKRZSA-N 0 0 186.339 3.756 10 30 AHEERN CC(C)=C(C)CC[C@@H](C)CC#N ZINC000113362909 571874330 /nfs/dbraw/zinc/87/43/30/571874330.db2.gz DFXMDNYKUMMEII-SNVBAGLBSA-N 0 0 165.280 3.673 10 30 AHEERN C=CCc1c(Cl)cccc1Cl ZINC000113388785 537967649 /nfs/dbraw/zinc/96/76/49/537967649.db2.gz WPVZCQLUSGTPBE-UHFFFAOYSA-N 0 0 187.069 3.722 10 30 AHEERN CCCCCCCCC/C=N/O ZINC000113436540 343758630 /nfs/dbraw/zinc/75/86/30/343758630.db2.gz ZLXMDNBWYCXWGH-ZHACJKMWSA-N 0 0 171.284 3.587 10 30 AHEERN C=COCCCCCCCCC ZINC000113501534 343759193 /nfs/dbraw/zinc/75/91/93/343759193.db2.gz MIMKRVLJPMYKID-UHFFFAOYSA-N 0 0 170.296 3.897 10 30 AHEERN C=CCc1ccc2ccccc2c1F ZINC000113522960 537968180 /nfs/dbraw/zinc/96/81/80/537968180.db2.gz HVJVPPTXWYCMCL-UHFFFAOYSA-N 0 0 186.229 3.707 10 30 AHEERN N#Cc1cccc(C2=CCCCC2)c1 ZINC000113796558 571908363 /nfs/dbraw/zinc/90/83/63/571908363.db2.gz LQYMCYFNBMHYKV-UHFFFAOYSA-N 0 0 183.254 3.516 10 30 AHEERN C=C(C)CCCCCCCCCO ZINC000113894941 571955378 /nfs/dbraw/zinc/95/53/78/571955378.db2.gz YNNFPPIKVTVRLQ-UHFFFAOYSA-N 0 0 184.323 3.676 10 30 AHEERN CC(C)CC1=CC[C@@](C)(C=O)[C@@H](C)C1 ZINC000114248047 573068619 /nfs/dbraw/zinc/06/86/19/573068619.db2.gz WTCPVQGLGWJJMW-AAEUAGOBSA-N 0 0 194.318 3.594 10 30 AHEERN CC(C)CC1=CC[C@](C)(C=O)[C@@H](C)C1 ZINC000114248050 573070685 /nfs/dbraw/zinc/07/06/85/573070685.db2.gz WTCPVQGLGWJJMW-WCQYABFASA-N 0 0 194.318 3.594 10 30 AHEERN CC(C)CC1=CC[C@@](C)(C=O)[C@H](C)C1 ZINC000114248052 573065317 /nfs/dbraw/zinc/06/53/17/573065317.db2.gz WTCPVQGLGWJJMW-YPMHNXCESA-N 0 0 194.318 3.594 10 30 AHEERN CC(C)CC1=CC[C@](C)(C=O)[C@H](C)C1 ZINC000114248054 573070402 /nfs/dbraw/zinc/07/04/02/573070402.db2.gz WTCPVQGLGWJJMW-DGCLKSJQSA-N 0 0 194.318 3.594 10 30 AHEERN C=C(C)COc1cccc(Cl)c1C ZINC000114333731 572057518 /nfs/dbraw/zinc/05/75/18/572057518.db2.gz XCZGOTGJSZYLSK-UHFFFAOYSA-N 0 0 196.677 3.603 10 30 AHEERN S[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000114341478 573076253 /nfs/dbraw/zinc/07/62/53/573076253.db2.gz HKMOXMVOWRRYLL-NWDGAFQWSA-N 0 0 192.327 3.643 10 30 AHEERN S[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000114342224 573076582 /nfs/dbraw/zinc/07/65/82/573076582.db2.gz HKMOXMVOWRRYLL-NEPJUHHUSA-N 0 0 192.327 3.643 10 30 AHEERN CCCCCCCC(=O)C1CCC1 ZINC000114344391 573077155 /nfs/dbraw/zinc/07/71/55/573077155.db2.gz MRIGDMMBAIYSGR-UHFFFAOYSA-N 0 0 182.307 3.716 10 30 AHEERN CCCCCCCC[C@H](O)C1CCC1 ZINC000114344458 573074938 /nfs/dbraw/zinc/07/49/38/573074938.db2.gz BUZAACLFUCJBBP-ZDUSSCGKSA-N 0 0 198.350 3.898 10 30 AHEERN CCCC/C=C\c1cccc(C#N)c1 ZINC000114441458 343763027 /nfs/dbraw/zinc/76/30/27/343763027.db2.gz IVDLVBMNRHXKAX-ALCCZGGFSA-N 0 0 185.270 3.762 10 30 AHEERN CC(C)=CCC[C@H](C)CCCC=O ZINC000114442013 572468011 /nfs/dbraw/zinc/46/80/11/572468011.db2.gz CLROSSJYBOWFDX-GFCCVEGCSA-N 0 0 182.307 3.738 10 30 AHEERN CCCC/C=C\c1ccc(C#N)cc1 ZINC000114442464 343763008 /nfs/dbraw/zinc/76/30/08/343763008.db2.gz CGCSZFSHHNBIEP-WAYWQWQTSA-N 0 0 185.270 3.762 10 30 AHEERN C=CC/C(=C\Cl)c1ccccc1 ZINC000114465754 572482253 /nfs/dbraw/zinc/48/22/53/572482253.db2.gz SATHADHLIFLHOI-PKNBQFBNSA-N 0 0 178.662 3.842 10 30 AHEERN CCCCCCCCCC1(O)CC1 ZINC000114576881 573090824 /nfs/dbraw/zinc/09/08/24/573090824.db2.gz MMHNRHIOLLHYOD-UHFFFAOYSA-N 0 0 184.323 3.652 10 30 AHEERN C[C@@H](CCCC=O)C1CCCCC1 ZINC000114593247 572570962 /nfs/dbraw/zinc/57/09/62/572570962.db2.gz XKXPZBSFVNGTQS-NSHDSACASA-N 0 0 182.307 3.572 10 30 AHEERN C[C@H](CCCC=O)C1CCCCC1 ZINC000114593248 572570731 /nfs/dbraw/zinc/57/07/31/572570731.db2.gz XKXPZBSFVNGTQS-LLVKDONJSA-N 0 0 182.307 3.572 10 30 AHEERN CCCCCCCCCC1=NCCO1 ZINC000114929396 573137907 /nfs/dbraw/zinc/13/79/07/573137907.db2.gz OQWAVMKUNIQCFD-UHFFFAOYSA-N 0 0 197.322 3.556 10 30 AHEERN CCCCCCCc1ccccc1N ZINC000114971319 572600117 /nfs/dbraw/zinc/60/01/17/572600117.db2.gz UDUYYXNBUMJIHO-UHFFFAOYSA-N 0 0 191.318 3.782 10 30 AHEERN CCC/C=C/C(=O)c1ccccc1C ZINC000115128839 572602209 /nfs/dbraw/zinc/60/22/09/572602209.db2.gz ZAWGKCJSZHDEAK-BJMVGYQFSA-N 0 0 188.270 3.534 10 30 AHEERN CC(C)CC[C@@H](C#N)c1ccccc1 ZINC000115296838 343766263 /nfs/dbraw/zinc/76/62/63/343766263.db2.gz GGDSSEUHMYLPTL-ZDUSSCGKSA-N 0 0 187.286 3.730 10 30 AHEERN CC(C)CC[C@H](C#N)c1ccccc1 ZINC000115296840 343766250 /nfs/dbraw/zinc/76/62/50/343766250.db2.gz GGDSSEUHMYLPTL-CYBMUJFWSA-N 0 0 187.286 3.730 10 30 AHEERN CCCCCCCC1CCC(O)CC1 ZINC000115350549 572613535 /nfs/dbraw/zinc/61/35/35/572613535.db2.gz ZIHAGQWGMHTHAV-UHFFFAOYSA-N 0 0 198.350 3.898 10 30 AHEERN CC/C=C\C=C/CCCCCC=O ZINC000115796536 572629290 /nfs/dbraw/zinc/62/92/90/572629290.db2.gz QMHYWEQZQADRCD-OUPQRBNQSA-N 0 0 180.291 3.658 10 30 AHEERN CC/C=C/C=C\CCCCCC=O ZINC000115796537 572627934 /nfs/dbraw/zinc/62/79/34/572627934.db2.gz QMHYWEQZQADRCD-ICWBMWKASA-N 0 0 180.291 3.658 10 30 AHEERN C=C(CC)c1ccc(C(C)(C)C)nc1 ZINC000116284070 343769184 /nfs/dbraw/zinc/76/91/84/343769184.db2.gz VAQPZVQFCNZAKJ-UHFFFAOYSA-N 0 0 189.302 3.802 10 30 AHEERN CCCCCCCC(=O)[C@@H]1C[C@@H]1C ZINC000116285463 573261557 /nfs/dbraw/zinc/26/15/57/573261557.db2.gz JAGACHMPBYVIHU-WDEREUQCSA-N 0 0 182.307 3.572 10 30 AHEERN CCCCCCC[C@@](C)(C#N)OCC ZINC000116703880 573304964 /nfs/dbraw/zinc/30/49/64/573304964.db2.gz QEAXFJSITIYUFM-LBPRGKRZSA-N 0 0 197.322 3.666 10 30 AHEERN CC[C@@](C)(C#N)c1ccc(Cl)cc1 ZINC000116705664 571722232 /nfs/dbraw/zinc/72/22/32/571722232.db2.gz VOTPLFYFDYAQLN-NSHDSACASA-N 0 0 193.677 3.531 10 30 AHEERN CC[C@](C)(C#N)c1ccc(Cl)cc1 ZINC000116705667 571721742 /nfs/dbraw/zinc/72/17/42/571721742.db2.gz VOTPLFYFDYAQLN-LLVKDONJSA-N 0 0 193.677 3.531 10 30 AHEERN CCCCCCCC/C=C/OC(C)=O ZINC000116718255 343770094 /nfs/dbraw/zinc/77/00/94/343770094.db2.gz JVUSAMNTRVLYOT-ZHACJKMWSA-N 0 0 198.306 3.814 10 30 AHEERN C=C1CC[C@@H]2CCCC[C@@H]2C1 ZINC000116728252 571720812 /nfs/dbraw/zinc/72/08/12/571720812.db2.gz JGFVERDKRRPANM-WDEREUQCSA-N 0 0 150.265 3.533 10 30 AHEERN C=C1CC[C@@H]2CCCC[C@H]2C1 ZINC000116728255 571721313 /nfs/dbraw/zinc/72/13/13/571721313.db2.gz JGFVERDKRRPANM-QWRGUYRKSA-N 0 0 150.265 3.533 10 30 AHEERN C=C1CC[C@H]2CCCC[C@H]2C1 ZINC000116728257 571716727 /nfs/dbraw/zinc/71/67/27/571716727.db2.gz JGFVERDKRRPANM-MNOVXSKESA-N 0 0 150.265 3.533 10 30 AHEERN C=C1CC(C)(C)CC(C)(C)C1 ZINC000116731866 571725014 /nfs/dbraw/zinc/72/50/14/571725014.db2.gz LOZBJRFLBQGRJF-UHFFFAOYSA-N 0 0 152.281 3.779 10 30 AHEERN C=C(C)CO[C@@H](C)CCCCC ZINC000116732674 572926721 /nfs/dbraw/zinc/92/67/21/572926721.db2.gz DWGCGWNAYSRSNN-NSHDSACASA-N 0 0 170.296 3.548 10 30 AHEERN C=CC[C@H](CCCCCCC)OC ZINC000116937046 343771405 /nfs/dbraw/zinc/77/14/05/343771405.db2.gz ZGNQOAIWIDLUEF-GFCCVEGCSA-N 0 0 184.323 3.938 10 30 AHEERN CCCCCCCP(C)(C)=O ZINC000116944148 573312953 /nfs/dbraw/zinc/31/29/53/573312953.db2.gz WRWMFQKTOOBPDH-UHFFFAOYSA-N 0 0 176.240 3.580 10 30 AHEERN CCC[C@@H](C)CCCCCC=O ZINC000117093389 572405219 /nfs/dbraw/zinc/40/52/19/572405219.db2.gz FYQXDEGMLZOXGA-LLVKDONJSA-N 0 0 170.296 3.572 10 30 AHEERN CCC[C@H](C)CCCCCC=O ZINC000117093391 572406125 /nfs/dbraw/zinc/40/61/25/572406125.db2.gz FYQXDEGMLZOXGA-NSHDSACASA-N 0 0 170.296 3.572 10 30 AHEERN CCCCCC/C=C/CCC(C)=O ZINC000117094582 572405085 /nfs/dbraw/zinc/40/50/85/572405085.db2.gz DUBFULMQDVINDM-CMDGGOBGSA-N 0 0 182.307 3.882 10 30 AHEERN CC(C)CC1CCC(CCC=O)CC1 ZINC000117446765 572684636 /nfs/dbraw/zinc/68/46/36/572684636.db2.gz XUTZHJNXAOHUTM-UHFFFAOYSA-N 0 0 196.334 3.818 10 30 AHEERN CC[C@@H](C)C1CCC(CCC=O)CC1 ZINC000117448551 572696436 /nfs/dbraw/zinc/69/64/36/572696436.db2.gz DBZDOTAVXDEUEY-PNESKVBLSA-N 0 0 196.334 3.818 10 30 AHEERN CC[C@H](C)C1CCC(CCC=O)CC1 ZINC000117448554 572693994 /nfs/dbraw/zinc/69/39/94/572693994.db2.gz DBZDOTAVXDEUEY-HIFPTAJRSA-N 0 0 196.334 3.818 10 30 AHEERN C=CC[C@H](C)CCC(C)C ZINC000117478406 572688917 /nfs/dbraw/zinc/68/89/17/572688917.db2.gz NQMNCMJODMQYPB-JTQLQIEISA-N 0 0 140.270 3.635 10 30 AHEERN C=CC[C@@H](C)CCC(C)C ZINC000117478408 572688985 /nfs/dbraw/zinc/68/89/85/572688985.db2.gz NQMNCMJODMQYPB-SNVBAGLBSA-N 0 0 140.270 3.635 10 30 AHEERN C=CCCCC[C@H](C)CC ZINC000117481403 572689767 /nfs/dbraw/zinc/68/97/67/572689767.db2.gz ZZYJKJGZMBFFBO-SNVBAGLBSA-N 0 0 140.270 3.779 10 30 AHEERN C=CCCCC[C@@H](C)CC ZINC000117481406 343772900 /nfs/dbraw/zinc/77/29/00/343772900.db2.gz ZZYJKJGZMBFFBO-JTQLQIEISA-N 0 0 140.270 3.779 10 30 AHEERN C=CCCC[C@H](C)CCC ZINC000117486772 572694932 /nfs/dbraw/zinc/69/49/32/572694932.db2.gz FYNYJDQJWSBMAS-SNVBAGLBSA-N 0 0 140.270 3.779 10 30 AHEERN C=CCCC[C@@H](C)CCC ZINC000117486774 572695465 /nfs/dbraw/zinc/69/54/65/572695465.db2.gz FYNYJDQJWSBMAS-JTQLQIEISA-N 0 0 140.270 3.779 10 30 AHEERN C=CCCCC(CC)CC ZINC000117600255 572715643 /nfs/dbraw/zinc/71/56/43/572715643.db2.gz MKRMLNKSXZPIFY-UHFFFAOYSA-N 0 0 140.270 3.779 10 30 AHEERN C=CCCCCC(C)(C)C ZINC000117768867 573372389 /nfs/dbraw/zinc/37/23/89/573372389.db2.gz BSJOLASGNWRVEH-UHFFFAOYSA-N 0 0 140.270 3.779 10 30 AHEERN CCC1CCC(C(=O)C=C(C)C)CC1 ZINC000117873581 573378847 /nfs/dbraw/zinc/37/88/47/573378847.db2.gz DLQBWIIYYSMKAQ-UHFFFAOYSA-N 0 0 194.318 3.738 10 30 AHEERN CC(C)=CC(=O)C1CCC(C)(C)CC1 ZINC000117873584 573374649 /nfs/dbraw/zinc/37/46/49/573374649.db2.gz WRQZNRHBWZSQGX-UHFFFAOYSA-N 0 0 194.318 3.738 10 30 AHEERN CC[C@@H]1CCC[C@H](C(=O)C=C(C)C)C1 ZINC000117873600 573375201 /nfs/dbraw/zinc/37/52/01/573375201.db2.gz ADFBFMWHDIUILT-NEPJUHHUSA-N 0 0 194.318 3.738 10 30 AHEERN CC[C@H]1CCC[C@H](C(=O)C=C(C)C)C1 ZINC000117873603 573374835 /nfs/dbraw/zinc/37/48/35/573374835.db2.gz ADFBFMWHDIUILT-RYUDHWBXSA-N 0 0 194.318 3.738 10 30 AHEERN CC[C@@H]1CCC[C@@H](C(=O)C=C(C)C)C1 ZINC000117873606 573378696 /nfs/dbraw/zinc/37/86/96/573378696.db2.gz ADFBFMWHDIUILT-VXGBXAGGSA-N 0 0 194.318 3.738 10 30 AHEERN CC[C@H]1CCC[C@@H](C(=O)C=C(C)C)C1 ZINC000117873607 573377922 /nfs/dbraw/zinc/37/79/22/573377922.db2.gz ADFBFMWHDIUILT-NWDGAFQWSA-N 0 0 194.318 3.738 10 30 AHEERN CCCCCCCC1=CCCO1 ZINC000118193406 572822277 /nfs/dbraw/zinc/82/22/77/572822277.db2.gz CHJKQOAKPASRJR-UHFFFAOYSA-N 0 0 168.280 3.651 10 30 AHEERN CCCCCC1(C=O)CCCCC1 ZINC000118389480 343775647 /nfs/dbraw/zinc/77/56/47/343775647.db2.gz LQHUBGRXLPTWIX-UHFFFAOYSA-N 0 0 182.307 3.716 10 30 AHEERN CCCCC[C@@H]1CCC[C@@H]1C#N ZINC000118476010 572838076 /nfs/dbraw/zinc/83/80/76/572838076.db2.gz JRDVTVPGQVLLPB-GHMZBOCLSA-N 0 0 165.280 3.507 10 30 AHEERN CCCCC[C@H]1CCC[C@@H]1C#N ZINC000118476014 572840007 /nfs/dbraw/zinc/84/00/07/572840007.db2.gz JRDVTVPGQVLLPB-WDEREUQCSA-N 0 0 165.280 3.507 10 30 AHEERN CCCCC[C@@H]1CCC[C@H]1C#N ZINC000118476018 572838298 /nfs/dbraw/zinc/83/82/98/572838298.db2.gz JRDVTVPGQVLLPB-MNOVXSKESA-N 0 0 165.280 3.507 10 30 AHEERN CCCCC[C@H]1CCC[C@H]1C#N ZINC000118476021 572839594 /nfs/dbraw/zinc/83/95/94/572839594.db2.gz JRDVTVPGQVLLPB-QWRGUYRKSA-N 0 0 165.280 3.507 10 30 AHEERN N#C[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000118484563 572839981 /nfs/dbraw/zinc/83/99/81/572839981.db2.gz JWOUFOXWPDQVME-QWHCGFSZSA-N 0 0 191.318 3.897 10 30 AHEERN N#C[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000118484566 572838420 /nfs/dbraw/zinc/83/84/20/572838420.db2.gz JWOUFOXWPDQVME-CHWSQXEVSA-N 0 0 191.318 3.897 10 30 AHEERN N#C[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000118484567 572838189 /nfs/dbraw/zinc/83/81/89/572838189.db2.gz JWOUFOXWPDQVME-STQMWFEESA-N 0 0 191.318 3.897 10 30 AHEERN N#C[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000118484570 572838679 /nfs/dbraw/zinc/83/86/79/572838679.db2.gz JWOUFOXWPDQVME-OLZOCXBDSA-N 0 0 191.318 3.897 10 30 AHEERN C#CCCCCCCc1ccccc1 ZINC000118823748 166016303 /nfs/dbraw/zinc/01/63/03/166016303.db2.gz NDUNUEBRUATAAG-UHFFFAOYSA-N 0 0 186.298 3.813 10 30 AHEERN C[C@H](C=O)CC[C@@H]1CC[C@@H](C)C1(C)C ZINC000118882042 572493988 /nfs/dbraw/zinc/49/39/88/572493988.db2.gz GUYGVAVSYCHUCB-QJPTWQEYSA-N 0 0 196.334 3.674 10 30 AHEERN C[C@H](C=O)CC[C@H]1CC[C@@H](C)C1(C)C ZINC000118882045 572495592 /nfs/dbraw/zinc/49/55/92/572495592.db2.gz GUYGVAVSYCHUCB-TUAOUCFPSA-N 0 0 196.334 3.674 10 30 AHEERN CSCCC1(C#N)CCCCCC1 ZINC000124253770 573391428 /nfs/dbraw/zinc/39/14/28/573391428.db2.gz OOVMMLBBEWAXPB-UHFFFAOYSA-N 0 0 197.347 3.604 10 30 AHEERN CCCCCCC[C@](C)(O)C1(C)CC1 ZINC000124333917 573422936 /nfs/dbraw/zinc/42/29/36/573422936.db2.gz BQAHHBHKHACEOY-ZDUSSCGKSA-N 0 0 198.350 3.898 10 30 AHEERN CCCCCCC[C@H](O)C1(C)CC1 ZINC000126216260 573437171 /nfs/dbraw/zinc/43/71/71/573437171.db2.gz YBZKGCMSJGMDPT-NSHDSACASA-N 0 0 184.323 3.508 10 30 AHEERN CCCCCCC[C@@H](O)C1(C)CC1 ZINC000126216477 573435832 /nfs/dbraw/zinc/43/58/32/573435832.db2.gz YBZKGCMSJGMDPT-LLVKDONJSA-N 0 0 184.323 3.508 10 30 AHEERN CC(C)(C)C1CCC(CS)CC1 ZINC000126658651 343795468 /nfs/dbraw/zinc/79/54/68/343795468.db2.gz MTNRTUZHCBJGQR-UHFFFAOYSA-N 0 0 186.364 3.769 10 30 AHEERN N#C[C@H](C1=CCCCC1)C1CCCC1 ZINC000128119807 343825375 /nfs/dbraw/zinc/82/53/75/343825375.db2.gz JMEZEOKLAKBLSG-CYBMUJFWSA-N 0 0 189.302 3.817 10 30 AHEERN N#C[C@@H](C1=CCCCC1)C1CCCC1 ZINC000128120006 343825122 /nfs/dbraw/zinc/82/51/22/343825122.db2.gz JMEZEOKLAKBLSG-ZDUSSCGKSA-N 0 0 189.302 3.817 10 30 AHEERN C=CC[C@H](O)C[C@@H](CC)CCCC ZINC000128233407 574041807 /nfs/dbraw/zinc/04/18/07/574041807.db2.gz JNDGRQAELKKTJM-RYUDHWBXSA-N 0 0 184.323 3.530 10 30 AHEERN C=CCCC[C@H](O)CC1=CCCCC1 ZINC000128346936 573006232 /nfs/dbraw/zinc/00/62/32/573006232.db2.gz HBWHFCKYXQFZBO-ZDUSSCGKSA-N 0 0 194.318 3.594 10 30 AHEERN O=C1C=C(C2CCCCCC2)CCC1 ZINC000128602203 343834846 /nfs/dbraw/zinc/83/48/46/343834846.db2.gz MFSIMWYVANYKAO-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN CCC(CC)CC1(C#N)CCCC1 ZINC000128795479 573135967 /nfs/dbraw/zinc/13/59/67/573135967.db2.gz CAPWOCAFPILXTA-UHFFFAOYSA-N 0 0 179.307 3.897 10 30 AHEERN CCC(CC)C[C@](C)(C#N)CC ZINC000128795943 573137919 /nfs/dbraw/zinc/13/79/19/573137919.db2.gz KEEXLIBVPWMRIR-LLVKDONJSA-N 0 0 167.296 3.753 10 30 AHEERN CCC(CC)C[C@@](C)(C#N)CC ZINC000128796160 573137814 /nfs/dbraw/zinc/13/78/14/573137814.db2.gz KEEXLIBVPWMRIR-NSHDSACASA-N 0 0 167.296 3.753 10 30 AHEERN CCC(CC)CC1(C#N)CCC1 ZINC000128796847 573135612 /nfs/dbraw/zinc/13/56/12/573135612.db2.gz IMSAYAVFVYMWSF-UHFFFAOYSA-N 0 0 165.280 3.507 10 30 AHEERN N#C[C@H](c1cccs1)C1CCCC1 ZINC000129587390 343853733 /nfs/dbraw/zinc/85/37/33/343853733.db2.gz FAXVQWIGOIHXPK-JTQLQIEISA-N 0 0 191.299 3.545 10 30 AHEERN N#C[C@@H](c1cccs1)C1CCCC1 ZINC000129587582 343853735 /nfs/dbraw/zinc/85/37/35/343853735.db2.gz FAXVQWIGOIHXPK-SNVBAGLBSA-N 0 0 191.299 3.545 10 30 AHEERN CCS[C@@H](C#N)C1CCCCCC1 ZINC000129590583 343853829 /nfs/dbraw/zinc/85/38/29/343853829.db2.gz XMTDHDOITUOYJK-NSHDSACASA-N 0 0 197.347 3.602 10 30 AHEERN CCS[C@H](C#N)C1CCCCCC1 ZINC000129590849 343853732 /nfs/dbraw/zinc/85/37/32/343853732.db2.gz XMTDHDOITUOYJK-LLVKDONJSA-N 0 0 197.347 3.602 10 30 AHEERN CC(C)S[C@@H](C#N)C1CCCCC1 ZINC000129592900 343853793 /nfs/dbraw/zinc/85/37/93/343853793.db2.gz AADZDZVVSSKUGQ-NSHDSACASA-N 0 0 197.347 3.600 10 30 AHEERN CC(C)S[C@H](C#N)C1CCCCC1 ZINC000129593116 343853736 /nfs/dbraw/zinc/85/37/36/343853736.db2.gz AADZDZVVSSKUGQ-LLVKDONJSA-N 0 0 197.347 3.600 10 30 AHEERN CC(C)(C)S[C@@H](C#N)C1CCCC1 ZINC000129594177 343853759 /nfs/dbraw/zinc/85/37/59/343853759.db2.gz QBAZHEIQCMAPQK-JTQLQIEISA-N 0 0 197.347 3.600 10 30 AHEERN CC(C)(C)S[C@H](C#N)C1CCCC1 ZINC000129594404 343853742 /nfs/dbraw/zinc/85/37/42/343853742.db2.gz QBAZHEIQCMAPQK-SNVBAGLBSA-N 0 0 197.347 3.600 10 30 AHEERN CC[C@H](C)S[C@@H](C#N)C1CCCC1 ZINC000129596214 573347325 /nfs/dbraw/zinc/34/73/25/573347325.db2.gz YSOFODDFQFZITG-ONGXEEELSA-N 0 0 197.347 3.600 10 30 AHEERN CC[C@@H](C)S[C@H](C#N)C1CCCC1 ZINC000129596442 573348782 /nfs/dbraw/zinc/34/87/82/573348782.db2.gz YSOFODDFQFZITG-MWLCHTKSSA-N 0 0 197.347 3.600 10 30 AHEERN CCCCCCC[C@H](O)CC1CC1 ZINC000130747478 573694105 /nfs/dbraw/zinc/69/41/05/573694105.db2.gz XVKSQAFNIHEUMU-LBPRGKRZSA-N 0 0 184.323 3.508 10 30 AHEERN CSCCCC1(C#N)CCCCC1 ZINC000131642684 573913092 /nfs/dbraw/zinc/91/30/92/573913092.db2.gz LLWHZETXVHKOPI-UHFFFAOYSA-N 0 0 197.347 3.604 10 30 AHEERN CCSCCCC1(C#N)CCCC1 ZINC000131643112 573912975 /nfs/dbraw/zinc/91/29/75/573912975.db2.gz HMSXLXYSLUTVEI-UHFFFAOYSA-N 0 0 197.347 3.604 10 30 AHEERN C=CCC[C@@H](C)Nc1ccsc1 ZINC000132023244 573186315 /nfs/dbraw/zinc/18/63/15/573186315.db2.gz BSWHSSHKZCZUPL-SECBINFHSA-N 0 0 181.304 3.515 10 30 AHEERN C=CCC[C@@](C)(O)C1CCCCCC1 ZINC000132157487 573229456 /nfs/dbraw/zinc/22/94/56/573229456.db2.gz FTDMFDXFWXQHPG-CYBMUJFWSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCC[C@](C)(O)C1CCCCCC1 ZINC000132157700 573229684 /nfs/dbraw/zinc/22/96/84/573229684.db2.gz FTDMFDXFWXQHPG-ZDUSSCGKSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCC[C@@](C)(O)CC(CC)CC ZINC000132157935 573231264 /nfs/dbraw/zinc/23/12/64/573231264.db2.gz DSVWAFPIXGHPTK-GFCCVEGCSA-N 0 0 184.323 3.530 10 30 AHEERN C=CCC[C@](C)(O)CC(CC)CC ZINC000132158119 573231096 /nfs/dbraw/zinc/23/10/96/573231096.db2.gz DSVWAFPIXGHPTK-LBPRGKRZSA-N 0 0 184.323 3.530 10 30 AHEERN C=CCC[C@@](C)(O)CCC(C)(C)C ZINC000132160842 573234734 /nfs/dbraw/zinc/23/47/34/573234734.db2.gz PHEQCKKAYYYTQR-GFCCVEGCSA-N 0 0 184.323 3.530 10 30 AHEERN C=CCC[C@](C)(O)CCC(C)(C)C ZINC000132161051 573239366 /nfs/dbraw/zinc/23/93/66/573239366.db2.gz PHEQCKKAYYYTQR-LBPRGKRZSA-N 0 0 184.323 3.530 10 30 AHEERN C=CCC[C@@](C)(O)CC1CCCCC1 ZINC000132163849 573238238 /nfs/dbraw/zinc/23/82/38/573238238.db2.gz OWFNANIXVAOLFV-CYBMUJFWSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCC[C@](C)(O)CC1CCCCC1 ZINC000132164052 573238348 /nfs/dbraw/zinc/23/83/48/573238348.db2.gz OWFNANIXVAOLFV-ZDUSSCGKSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCC[C@@](C)(O)C[C@H](C)CCC ZINC000132165119 573239808 /nfs/dbraw/zinc/23/98/08/573239808.db2.gz INWMGDLSEUUPEA-VXGBXAGGSA-N 0 0 184.323 3.530 10 30 AHEERN C=CCC[C@@](C)(O)C[C@@H](C)CCC ZINC000132165320 573235544 /nfs/dbraw/zinc/23/55/44/573235544.db2.gz INWMGDLSEUUPEA-NWDGAFQWSA-N 0 0 184.323 3.530 10 30 AHEERN C=CCC[C@](C)(O)C[C@H](C)CCC ZINC000132165508 573236555 /nfs/dbraw/zinc/23/65/55/573236555.db2.gz INWMGDLSEUUPEA-NEPJUHHUSA-N 0 0 184.323 3.530 10 30 AHEERN C=CCC[C@](C)(O)C[C@@H](C)CCC ZINC000132165745 573237499 /nfs/dbraw/zinc/23/74/99/573237499.db2.gz INWMGDLSEUUPEA-RYUDHWBXSA-N 0 0 184.323 3.530 10 30 AHEERN C=CCC[C@@](C)(O)C1CCC(C)CC1 ZINC000132197304 573237061 /nfs/dbraw/zinc/23/70/61/573237061.db2.gz XQORLWJCLZJYGL-WXRRBKDZSA-N 0 0 196.334 3.530 10 30 AHEERN C=CCC[C@](C)(O)C1CCC(C)CC1 ZINC000132197504 573239192 /nfs/dbraw/zinc/23/91/92/573239192.db2.gz XQORLWJCLZJYGL-BPCQOVAHSA-N 0 0 196.334 3.530 10 30 AHEERN CCCCCCC[C@](C)(O)CCC ZINC000132750229 573343806 /nfs/dbraw/zinc/34/38/06/573343806.db2.gz ORJDSXJLQMPGJP-GFCCVEGCSA-N 0 0 186.339 3.898 10 30 AHEERN CCCC(CCC)C(=O)C1=CCCC1 ZINC000132904547 573350608 /nfs/dbraw/zinc/35/06/08/573350608.db2.gz NLZVRBABLAJBLX-UHFFFAOYSA-N 0 0 194.318 3.882 10 30 AHEERN Cc1ccc2nc(N=[N+]=[N-])sc2c1 ZINC000133989050 343930952 /nfs/dbraw/zinc/93/09/52/343930952.db2.gz TZMCACVVCWLYPD-UHFFFAOYSA-N 0 0 190.231 3.547 10 30 AHEERN Cc1cccc2sc(N=[N+]=[N-])nc21 ZINC000133990158 343931115 /nfs/dbraw/zinc/93/11/15/343931115.db2.gz PPXROFOSOXIFAB-UHFFFAOYSA-N 0 0 190.231 3.547 10 30 AHEERN C=C1c2ccccc2C(C)(C)[C@@H]1C ZINC000135873257 573627107 /nfs/dbraw/zinc/62/71/07/573627107.db2.gz DOMINCFROXCTTP-SNVBAGLBSA-N 0 0 172.271 3.627 10 30 AHEERN C=C1c2ccccc2C(C)(C)[C@H]1C ZINC000135873293 573629388 /nfs/dbraw/zinc/62/93/88/573629388.db2.gz DOMINCFROXCTTP-JTQLQIEISA-N 0 0 172.271 3.627 10 30 AHEERN CCCCC#C/C=C\c1ccccc1 ZINC000135880003 573634150 /nfs/dbraw/zinc/63/41/50/573634150.db2.gz XGLYPTIUNDWMBE-FLIBITNWSA-N 0 0 184.282 3.893 10 30 AHEERN CCCCCCC=C(F)F ZINC000135891730 573635008 /nfs/dbraw/zinc/63/50/08/573635008.db2.gz YZYRXIMUNRCECU-UHFFFAOYSA-N 0 0 148.196 3.737 10 30 AHEERN C=CCC1C(C)=C(C)C(C)=C1C ZINC000135963456 573699226 /nfs/dbraw/zinc/69/92/26/573699226.db2.gz SLDNROWIZSFZKF-UHFFFAOYSA-N 0 0 162.276 3.865 10 30 AHEERN CCCCCCCCCCOCC ZINC000135969183 573704421 /nfs/dbraw/zinc/70/44/21/573704421.db2.gz FIWKTXQHVCFKAK-UHFFFAOYSA-N 0 0 185.331 3.978 10 30 AHEERN CCCCCCCC/C(C)=N\N(C)C ZINC000136002211 573758780 /nfs/dbraw/zinc/75/87/80/573758780.db2.gz XAKWZYDSBLOGCX-SEYXRHQNSA-N 0 0 198.354 3.675 10 30 AHEERN CCCC/C=C/C#Cc1ccccc1 ZINC000136012301 573774808 /nfs/dbraw/zinc/77/48/08/573774808.db2.gz HRFXQHRMNNWCOB-AATRIKPKSA-N 0 0 184.282 3.785 10 30 AHEERN C=C[C@@](C)(CC)c1ccccc1 ZINC000136657793 343981336 /nfs/dbraw/zinc/98/13/36/343981336.db2.gz QPPYVAQQHDNLIM-LBPRGKRZSA-N 0 0 160.260 3.540 10 30 AHEERN C/C=C\CCCCCCCC#N ZINC000136665004 343981459 /nfs/dbraw/zinc/98/14/59/343981459.db2.gz RPLWLQJSZFPHGM-IHWYPQMZSA-N 0 0 165.280 3.817 10 30 AHEERN C/C=C/C(=O)c1ccc2ccccc2c1 ZINC000136803742 343982300 /nfs/dbraw/zinc/98/23/00/343982300.db2.gz PTJAKGLGRCBETO-GORDUTHDSA-N 0 0 196.249 3.599 10 30 AHEERN C=CCCCC#CC1CCCCC1 ZINC000136950070 343982983 /nfs/dbraw/zinc/98/29/83/343982983.db2.gz AFOJQRNGBGNWII-UHFFFAOYSA-N 0 0 176.303 3.926 10 30 AHEERN CCCCCCC[C@H](C)CCCO ZINC000137075549 343983839 /nfs/dbraw/zinc/98/38/39/343983839.db2.gz RLZVJIIVHQUAFM-LBPRGKRZSA-N 0 0 186.339 3.756 10 30 AHEERN C=CCCCCCCc1cccnc1 ZINC000137084924 343983806 /nfs/dbraw/zinc/98/38/06/343983806.db2.gz HTIJZCSKKOSCFS-UHFFFAOYSA-N 0 0 189.302 3.761 10 30 AHEERN C=CCOCCCCCCCCC ZINC000137140930 343983814 /nfs/dbraw/zinc/98/38/14/343983814.db2.gz GZCREJSXQMDZRI-UHFFFAOYSA-N 0 0 184.323 3.940 10 30 AHEERN C=C[C@H](CCC)c1ccccc1 ZINC000137268285 343984191 /nfs/dbraw/zinc/98/41/91/343984191.db2.gz CLFGJCINGJTUKD-LLVKDONJSA-N 0 0 160.260 3.756 10 30 AHEERN C=C[C@@H](CCC)c1ccccc1 ZINC000137268336 343984106 /nfs/dbraw/zinc/98/41/06/343984106.db2.gz CLFGJCINGJTUKD-NSHDSACASA-N 0 0 160.260 3.756 10 30 AHEERN C=CCOc1ccccc1[C@H](C)CC ZINC000137496935 343985784 /nfs/dbraw/zinc/98/57/84/343985784.db2.gz AIKFXGXHLLQVTO-LLVKDONJSA-N 0 0 190.286 3.765 10 30 AHEERN C=CCCCCc1ccccc1OC ZINC000137549656 343986404 /nfs/dbraw/zinc/98/64/04/343986404.db2.gz TWNHYTZXFKBBJJ-UHFFFAOYSA-N 0 0 190.286 3.594 10 30 AHEERN C=C[C@@H]1C[C@@H]1/C=C/CCCC ZINC000137654434 166215475 /nfs/dbraw/zinc/21/54/75/166215475.db2.gz UZAYYMIBUZEMAI-SFEFJYQLSA-N 0 0 150.265 3.555 10 30 AHEERN C#Cc1ccc2c(c1)C(C)(C)CC2(C)C ZINC000137990038 343987519 /nfs/dbraw/zinc/98/75/19/343987519.db2.gz SNWDISPBTHWADX-UHFFFAOYSA-N 0 0 198.309 3.627 10 30 AHEERN CCCCCCC/C=C/COC ZINC000138204239 343988622 /nfs/dbraw/zinc/98/86/22/343988622.db2.gz OEAFPKBLJDXDJT-MDZDMXLPSA-N 0 0 170.296 3.550 10 30 AHEERN CCCCCC/C=C/Cl ZINC000138296849 351742550 /nfs/dbraw/zinc/74/25/50/351742550.db2.gz MXUOKRUYNYDCDL-BQYQJAHWSA-N 0 0 146.661 3.709 10 30 AHEERN CCCCCCCC(=O)/C=C/Cl ZINC000138402337 343988902 /nfs/dbraw/zinc/98/89/02/343988902.db2.gz BEBLXWVFJRCWCM-CMDGGOBGSA-N 0 0 188.698 3.669 10 30 AHEERN CC(C)=C[C@]1(C=O)CCC(C)=C[C@H]1C ZINC000138764648 571677263 /nfs/dbraw/zinc/67/72/63/571677263.db2.gz GMVANJWNDFADSN-OLZOCXBDSA-N 0 0 192.302 3.514 10 30 AHEERN CCCCCCC[C@@H]1CC=CO1 ZINC000138781884 573461761 /nfs/dbraw/zinc/46/17/61/573461761.db2.gz AHLLUGFHSVGVOX-LLVKDONJSA-N 0 0 168.280 3.650 10 30 AHEERN CCCCCCCC/C=C/[N+](=O)[O-] ZINC000138826679 343990894 /nfs/dbraw/zinc/99/08/94/343990894.db2.gz WLJICHSHXUJGAS-MDZDMXLPSA-N 0 0 185.267 3.527 10 30 AHEERN C=CSCCCCCCC ZINC000138872039 343991066 /nfs/dbraw/zinc/99/10/66/343991066.db2.gz HUKVHEZGEOMWAF-UHFFFAOYSA-N 0 0 158.310 3.834 10 30 AHEERN C#CP(=O)(C(C)(C)C)C(C)(C)C ZINC000138987227 343992059 /nfs/dbraw/zinc/99/20/59/343992059.db2.gz BVUIEFCSTOOKQZ-UHFFFAOYSA-N 0 0 186.235 3.537 10 30 AHEERN C=C(C)C/C=C/c1ccccc1 ZINC000139049159 343992496 /nfs/dbraw/zinc/99/24/96/343992496.db2.gz MRKLJCHFPDTQMG-UXBLZVDNSA-N 0 0 158.244 3.666 10 30 AHEERN C=C1CCCC[C@@H]1c1ccccc1 ZINC000139050016 571868877 /nfs/dbraw/zinc/86/88/77/571868877.db2.gz KFODIVKLRHZZTF-ZDUSSCGKSA-N 0 0 172.271 3.900 10 30 AHEERN C=C1CCCC[C@H]1c1ccccc1 ZINC000139050105 571854816 /nfs/dbraw/zinc/85/48/16/571854816.db2.gz KFODIVKLRHZZTF-CYBMUJFWSA-N 0 0 172.271 3.900 10 30 AHEERN [N-]=[N+]=Nc1csc2ccccc12 ZINC000139054243 571867161 /nfs/dbraw/zinc/86/71/61/571867161.db2.gz UYLMYSVUWNXZOL-UHFFFAOYSA-N 0 0 175.216 3.843 10 30 AHEERN CCCCCCCCC1CC(=O)C1 ZINC000139066492 571937928 /nfs/dbraw/zinc/93/79/28/571937928.db2.gz DCXUUFRIRJVXJX-UHFFFAOYSA-N 0 0 182.307 3.716 10 30 AHEERN C=C(Cl)C12CC(C(=C)Cl)(C1)C2 ZINC000139106752 343993243 /nfs/dbraw/zinc/99/32/43/343993243.db2.gz XZFQZZNRJAXGEW-UHFFFAOYSA-N 0 0 189.085 3.662 10 30 AHEERN C=C(C)C(O)(CCCC)CCCC ZINC000139217572 343993879 /nfs/dbraw/zinc/99/38/79/343993879.db2.gz WOLQVYBNQGYGAV-UHFFFAOYSA-N 0 0 184.323 3.674 10 30 AHEERN C=CCC/C=C\CCCC ZINC000139307983 571916849 /nfs/dbraw/zinc/91/68/49/571916849.db2.gz CNCHKZTUPHZPHA-KTKRTIGZSA-N 0 0 138.254 3.699 10 30 AHEERN C=CC[C@@H](CCCCCCC)OC ZINC000139771181 343996374 /nfs/dbraw/zinc/99/63/74/343996374.db2.gz ZGNQOAIWIDLUEF-LBPRGKRZSA-N 0 0 184.323 3.938 10 30 AHEERN C=CCCCCCCC[C@@H](C)CO ZINC000139826623 343996364 /nfs/dbraw/zinc/99/63/64/343996364.db2.gz WYTHCFFZEMBHMT-GFCCVEGCSA-N 0 0 184.323 3.532 10 30 AHEERN C=C(Cc1ccccc1O)C(C)(C)C ZINC000139888253 571977744 /nfs/dbraw/zinc/97/77/44/571977744.db2.gz NBBNYHIOYFOFBY-UHFFFAOYSA-N 0 0 190.286 3.537 10 30 AHEERN C=CC[C@@H]1C[C@@H](C)c2ccccc2N1 ZINC000139994975 571992710 /nfs/dbraw/zinc/99/27/10/571992710.db2.gz INWBHOMBEZWKIM-GHMZBOCLSA-N 0 0 187.286 3.550 10 30 AHEERN C=C(C)[C@@H]1CC=C(C)[C@](C)(CC=O)C1 ZINC000140043718 571993780 /nfs/dbraw/zinc/99/37/80/571993780.db2.gz BXVAFRMILWYKMH-CHWSQXEVSA-N 0 0 192.302 3.514 10 30 AHEERN CCCCCCCC(=O)C=C(C)C ZINC000140202768 171046808 /nfs/dbraw/zinc/04/68/08/171046808.db2.gz JRRUNFIEUJRQEL-UHFFFAOYSA-N 0 0 182.307 3.882 10 30 AHEERN CC1=C[C@@H](C(C)(C)C=O)CC(C)(C)C1 ZINC000140535461 571947835 /nfs/dbraw/zinc/94/78/35/571947835.db2.gz MBGBWXXSYATFEO-LLVKDONJSA-N 0 0 194.318 3.594 10 30 AHEERN C=CC(=O)c1c(C)ccc2ccccc21 ZINC000140727020 344001744 /nfs/dbraw/zinc/00/17/44/344001744.db2.gz ZSESTABAQXTATG-UHFFFAOYSA-N 0 0 196.249 3.517 10 30 AHEERN CC(C)(C)/C=C/c1ccc(C#N)cc1 ZINC000140825355 571744202 /nfs/dbraw/zinc/74/42/02/571744202.db2.gz HVEDUKHIKIHNLF-CMDGGOBGSA-N 0 0 185.270 3.618 10 30 AHEERN C=C(C)Cc1c(O)cccc1C(C)C ZINC000140860443 572611598 /nfs/dbraw/zinc/61/15/98/572611598.db2.gz AEJAVXRGZMAEOG-UHFFFAOYSA-N 0 0 190.286 3.634 10 30 AHEERN C=C1CCC[C@@H](CC(C)C)C1 ZINC000141011171 572364629 /nfs/dbraw/zinc/36/46/29/572364629.db2.gz SMZJZKJNSUMTNX-NSHDSACASA-N 0 0 152.281 3.779 10 30 AHEERN C=C1CCC[C@H](CC(C)C)C1 ZINC000141011311 572364670 /nfs/dbraw/zinc/36/46/70/572364670.db2.gz SMZJZKJNSUMTNX-LLVKDONJSA-N 0 0 152.281 3.779 10 30 AHEERN C=CCc1c(C)cc(C(C)C)cc1O ZINC000141037448 572372935 /nfs/dbraw/zinc/37/29/35/572372935.db2.gz RIPAFKAFQRRXBN-UHFFFAOYSA-N 0 0 190.286 3.553 10 30 AHEERN C=CCc1c(O)cc(C)cc1C(C)C ZINC000141099569 572925265 /nfs/dbraw/zinc/92/52/65/572925265.db2.gz JYDCRDWFWQSUJU-UHFFFAOYSA-N 0 0 190.286 3.553 10 30 AHEERN C=C(C)Cc1ccc(C(C)C)cc1O ZINC000141155762 572926922 /nfs/dbraw/zinc/92/69/22/572926922.db2.gz CTRIPMFGCIYDOM-UHFFFAOYSA-N 0 0 190.286 3.634 10 30 AHEERN C=C(COC(C)(C)C)c1ccccc1 ZINC000141358410 571753963 /nfs/dbraw/zinc/75/39/63/571753963.db2.gz OLIPRRHQVQNJJX-UHFFFAOYSA-N 0 0 190.286 3.515 10 30 AHEERN C=C[C@@H](/C=C\C)CCCCC ZINC000141656829 344007292 /nfs/dbraw/zinc/00/72/92/344007292.db2.gz XZHOQXCNEVHQGN-GWZUUTHWSA-N 0 0 152.281 3.945 10 30 AHEERN C=C(C)c1cc2ccccc2s1 ZINC000141674528 572796686 /nfs/dbraw/zinc/79/66/86/572796686.db2.gz PFKUZKDREYJYHU-UHFFFAOYSA-N 0 0 174.268 3.934 10 30 AHEERN C=CC(=O)C1=CC[C@@H](C(C)(C)C)CC1 ZINC000141896615 573072284 /nfs/dbraw/zinc/07/22/84/573072284.db2.gz WMQGROVYHRYLHC-LLVKDONJSA-N 0 0 192.302 3.514 10 30 AHEERN CC/C(C)=C/C/C=C(\C)CC#N ZINC000141969349 344009108 /nfs/dbraw/zinc/00/91/08/344009108.db2.gz SYQAPDPLLLXPFI-JMQWPVDRSA-N 0 0 163.264 3.593 10 30 AHEERN CC(C)=C[C@]1(C=O)CCC(C)=C[C@@H]1C ZINC000142086608 573115217 /nfs/dbraw/zinc/11/52/17/573115217.db2.gz GMVANJWNDFADSN-STQMWFEESA-N 0 0 192.302 3.514 10 30 AHEERN CC(C)=C[C@@]1(C=O)CCC(C)=C[C@H]1C ZINC000142086813 573117260 /nfs/dbraw/zinc/11/72/60/573117260.db2.gz GMVANJWNDFADSN-CHWSQXEVSA-N 0 0 192.302 3.514 10 30 AHEERN CC(C)=C[C@@]1(C=O)CCC(C)=C[C@@H]1C ZINC000142087023 573113406 /nfs/dbraw/zinc/11/34/06/573113406.db2.gz GMVANJWNDFADSN-QWHCGFSZSA-N 0 0 192.302 3.514 10 30 AHEERN CCC[C@@H](C#N)C1CCCCC1 ZINC000142187343 571770804 /nfs/dbraw/zinc/77/08/04/571770804.db2.gz FSCQKDBITDGJCP-NSHDSACASA-N 0 0 165.280 3.507 10 30 AHEERN C=CCO[C@@H]1[C@H](C)CC[C@@H](C)C1(C)C ZINC000142317902 571770311 /nfs/dbraw/zinc/77/03/11/571770311.db2.gz UCVFZYCCKWJYDQ-IJLUTSLNSA-N 0 0 196.334 3.650 10 30 AHEERN C=CCO[C@@H]1[C@@H](C)CC[C@@H](C)C1(C)C ZINC000142318116 571768648 /nfs/dbraw/zinc/76/86/48/571768648.db2.gz UCVFZYCCKWJYDQ-QJPTWQEYSA-N 0 0 196.334 3.650 10 30 AHEERN C=CC[C@H](O)C[C@@H]1C[C@H]1CCCCC ZINC000142385182 571772308 /nfs/dbraw/zinc/77/23/08/571772308.db2.gz CNSFZCYEFOGISR-AGIUHOORSA-N 0 0 196.334 3.530 10 30 AHEERN CC/C=C/[C@]1(C=O)CCC(C)=C[C@@H]1C ZINC000142439765 573271344 /nfs/dbraw/zinc/27/13/44/573271344.db2.gz BLEKWGULEIACGA-JHSWMASBSA-N 0 0 192.302 3.514 10 30 AHEERN CC/C=C/[C@@]1(C=O)CCC(C)=C[C@@H]1C ZINC000142439978 573268800 /nfs/dbraw/zinc/26/88/00/573268800.db2.gz BLEKWGULEIACGA-YTDWTQRBSA-N 0 0 192.302 3.514 10 30 AHEERN CC/C=C/[C@]1(C=O)CCC(C)=C[C@H]1C ZINC000142440145 573270112 /nfs/dbraw/zinc/27/01/12/573270112.db2.gz BLEKWGULEIACGA-MVTQWGDUSA-N 0 0 192.302 3.514 10 30 AHEERN C=C(CC(F)(F)F)c1ccccc1 ZINC000142453724 344012539 /nfs/dbraw/zinc/01/25/39/344012539.db2.gz QBFIGMKLKARQEF-UHFFFAOYSA-N 0 0 186.176 3.652 10 30 AHEERN O=C[C@H]1CC/C=C/CC/C=C/CCC1 ZINC000142671836 573459264 /nfs/dbraw/zinc/45/92/64/573459264.db2.gz OAPGEXRXFPLLLJ-ZZXZBRBZSA-N 0 0 192.302 3.658 10 30 AHEERN C=CCCCc1ccc(OCC)cc1 ZINC000142776825 573481369 /nfs/dbraw/zinc/48/13/69/573481369.db2.gz CAIVDMKWSDAQNK-UHFFFAOYSA-N 0 0 190.286 3.594 10 30 AHEERN C=CCC1(O)CC(C)(C)CC(C)(C)C1 ZINC000143807817 566266698 /nfs/dbraw/zinc/26/66/98/566266698.db2.gz ZBRXKVGNVWTOQF-UHFFFAOYSA-N 0 0 196.334 3.530 10 30 AHEERN C/C=C/CCCCCCCC#N ZINC000143890841 344022767 /nfs/dbraw/zinc/02/27/67/344022767.db2.gz RPLWLQJSZFPHGM-NSCUHMNNSA-N 0 0 165.280 3.817 10 30 AHEERN O=CCC[C@H]1CCC[C@H]2CCCC[C@@H]12 ZINC000143926691 344022797 /nfs/dbraw/zinc/02/27/97/344022797.db2.gz LVKCZRSYJLNQJH-JHJVBQTASA-N 0 0 194.318 3.572 10 30 AHEERN C#Cc1ccc(CCCC)cc1CC ZINC000144050892 166040895 /nfs/dbraw/zinc/04/08/95/166040895.db2.gz NDKUMKNDUMXERJ-UHFFFAOYSA-N 0 0 186.298 3.573 10 30 AHEERN CC(C)=CC(=O)C(C)(C)C(C)(C)C ZINC000144239724 344025716 /nfs/dbraw/zinc/02/57/16/344025716.db2.gz UQBXTQMNUAIJMV-UHFFFAOYSA-N 0 0 182.307 3.594 10 30 AHEERN C=C/C(C)=C\C[C@@H](Cl)C(=C)C ZINC000144953463 573889477 /nfs/dbraw/zinc/88/94/77/573889477.db2.gz RHUJVDWXWYMVRC-ABRRARGCSA-N 0 0 170.683 3.692 10 30 AHEERN C=C/C(C)=C\C[C@H](Cl)C(=C)C ZINC000144953686 573892117 /nfs/dbraw/zinc/89/21/17/573892117.db2.gz RHUJVDWXWYMVRC-MBACFSSFSA-N 0 0 170.683 3.692 10 30 AHEERN C=CCC=C=C(C)c1cccc(O)c1 ZINC000145136826 573559986 /nfs/dbraw/zinc/55/99/86/573559986.db2.gz WUNBNSDGWSQGGB-UHFFFAOYSA-N 0 0 186.254 3.527 10 30 AHEERN C/C=C/C=C/C=C/C[C@H](C)CCC=O ZINC000145369830 573481617 /nfs/dbraw/zinc/48/16/17/573481617.db2.gz NIGZGCLQMKQMBU-NSLKLEBJSA-N 0 0 192.302 3.680 10 30 AHEERN C=C(C)OCCCCCCCC ZINC000145439738 344033480 /nfs/dbraw/zinc/03/34/80/344033480.db2.gz NIMWBWYDNLTAMP-UHFFFAOYSA-N 0 0 170.296 3.897 10 30 AHEERN Cc1c(C#N)cccc1-c1ccccc1 ZINC000148203617 571941771 /nfs/dbraw/zinc/94/17/71/571941771.db2.gz FZIGLVGEMDJIDE-UHFFFAOYSA-N 0 0 193.249 3.534 10 30 AHEERN N#CC1(c2ccccc2)CCC=CCC1 ZINC000148249614 344051856 /nfs/dbraw/zinc/05/18/56/344051856.db2.gz ZWXXKUNMBWNMGN-UHFFFAOYSA-N 0 0 197.281 3.578 10 30 AHEERN C=CC[C@H]1CCC[C@@H](CC)C1 ZINC000148299320 344052703 /nfs/dbraw/zinc/05/27/03/344052703.db2.gz PWNBWGFBANBKLA-MNOVXSKESA-N 0 0 152.281 3.779 10 30 AHEERN C=CC[C@H]1CCC[C@H](CC)C1 ZINC000148299508 344052657 /nfs/dbraw/zinc/05/26/57/344052657.db2.gz PWNBWGFBANBKLA-QWRGUYRKSA-N 0 0 152.281 3.779 10 30 AHEERN C=CC[C@@H]1CCC[C@@H](CC)C1 ZINC000148299711 344052810 /nfs/dbraw/zinc/05/28/10/344052810.db2.gz PWNBWGFBANBKLA-GHMZBOCLSA-N 0 0 152.281 3.779 10 30 AHEERN C=CC[C@@H]1CCC[C@H](CC)C1 ZINC000148299906 344052716 /nfs/dbraw/zinc/05/27/16/344052716.db2.gz PWNBWGFBANBKLA-WDEREUQCSA-N 0 0 152.281 3.779 10 30 AHEERN C=C[C@H](C(=C)C)c1ccccc1 ZINC000148488710 344055030 /nfs/dbraw/zinc/05/50/30/344055030.db2.gz NOBMVRDZKOUYFG-GFCCVEGCSA-N 0 0 158.244 3.532 10 30 AHEERN Cc1scc(C#N)c1-c1ccccc1 ZINC000156712518 572494554 /nfs/dbraw/zinc/49/45/54/572494554.db2.gz LAZKXVICMHYIRJ-UHFFFAOYSA-N 0 0 199.278 3.595 10 30 AHEERN Cc1c(C#N)csc1-c1ccccc1 ZINC000156713314 344094115 /nfs/dbraw/zinc/09/41/15/344094115.db2.gz GFSCLBJXDLXZEP-UHFFFAOYSA-N 0 0 199.278 3.595 10 30 AHEERN CC[C@H](C)Cc1c(C)scc1C#N ZINC000156713893 572494637 /nfs/dbraw/zinc/49/46/37/572494637.db2.gz KDPNMIBHMRIGHF-QMMMGPOBSA-N 0 0 193.315 3.517 10 30 AHEERN CC1(C)CC(S)CC(C)(C)C1 ZINC000157280189 344102694 /nfs/dbraw/zinc/10/26/94/344102694.db2.gz QABWBFDHLWOGRI-UHFFFAOYSA-N 0 0 172.337 3.521 10 30 AHEERN CC(=O)C=C1CC(C)(C)CC(C)(C)C1 ZINC000160485314 344167043 /nfs/dbraw/zinc/16/70/43/344167043.db2.gz UZMJXWGEASJDTK-UHFFFAOYSA-N 0 0 194.318 3.738 10 30 AHEERN CC(=O)C=C1CCC(C(C)(C)C)CC1 ZINC000160491307 344167484 /nfs/dbraw/zinc/16/74/84/344167484.db2.gz REZBNCHNPVJXAN-UHFFFAOYSA-N 0 0 194.318 3.738 10 30 AHEERN N#CC1(Cl)CCC2(CCCC2)CC1 ZINC000161440793 344191433 /nfs/dbraw/zinc/19/14/33/344191433.db2.gz AXIQYJXGFRVQKN-UHFFFAOYSA-N 0 0 197.709 3.622 10 30 AHEERN S[C@H]1CCCC[C@H]1c1ccccc1 ZINC000164777281 344252061 /nfs/dbraw/zinc/25/20/61/344252061.db2.gz HKMOXMVOWRRYLL-RYUDHWBXSA-N 0 0 192.327 3.643 10 30 AHEERN S[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000164777416 344252385 /nfs/dbraw/zinc/25/23/85/344252385.db2.gz HKMOXMVOWRRYLL-VXGBXAGGSA-N 0 0 192.327 3.643 10 30 AHEERN C=CCCCCc1cccs1 ZINC000164779663 344252220 /nfs/dbraw/zinc/25/22/20/344252220.db2.gz LLRGCAUDXTVPNZ-UHFFFAOYSA-N 0 0 166.289 3.647 10 30 AHEERN CC[C@H](C[C@H](C)C#N)c1ccccc1 ZINC000165105678 572586319 /nfs/dbraw/zinc/58/63/19/572586319.db2.gz VUYWMAHTLFVTEK-NWDGAFQWSA-N 0 0 187.286 3.730 10 30 AHEERN C[C@H](S)c1cc2ccccc2s1 ZINC000166173234 344275974 /nfs/dbraw/zinc/27/59/74/344275974.db2.gz NEAFHGOPJHKDRT-ZETCQYMHSA-N 0 0 194.324 3.892 10 30 AHEERN C[C@@H](S)c1cc2ccccc2s1 ZINC000166173341 344275769 /nfs/dbraw/zinc/27/57/69/344275769.db2.gz NEAFHGOPJHKDRT-SSDOTTSWSA-N 0 0 194.324 3.892 10 30 AHEERN CC(C)(C)CC[C@]1(C#N)CCCS1 ZINC000166455877 344282213 /nfs/dbraw/zinc/28/22/13/344282213.db2.gz MFEBKQUSJXRWAU-NSHDSACASA-N 0 0 197.347 3.602 10 30 AHEERN CC(C)(C)CC[C@@]1(C#N)CCCS1 ZINC000166455981 344282005 /nfs/dbraw/zinc/28/20/05/344282005.db2.gz MFEBKQUSJXRWAU-LLVKDONJSA-N 0 0 197.347 3.602 10 30 AHEERN C[C@@H]1CC[C@H](S)c2ccccc21 ZINC000167459930 344305824 /nfs/dbraw/zinc/30/58/24/344305824.db2.gz VPEHKJZINIQEBM-KCJUWKMLSA-N 0 0 178.300 3.555 10 30 AHEERN C[C@H]1CC[C@H](S)c2ccccc21 ZINC000167460050 344305950 /nfs/dbraw/zinc/30/59/50/344305950.db2.gz VPEHKJZINIQEBM-KWQFWETISA-N 0 0 178.300 3.555 10 30 AHEERN C[C@@H]1CC[C@@H](S)c2ccccc21 ZINC000167460153 344305867 /nfs/dbraw/zinc/30/58/67/344305867.db2.gz VPEHKJZINIQEBM-LDYMZIIASA-N 0 0 178.300 3.555 10 30 AHEERN C[C@H]1CC[C@@H](S)c2ccccc21 ZINC000167460261 344306018 /nfs/dbraw/zinc/30/60/18/344306018.db2.gz VPEHKJZINIQEBM-GZMMTYOYSA-N 0 0 178.300 3.555 10 30 AHEERN C=C(C)Cc1ccc(SC)c(C)c1 ZINC000167493471 344306774 /nfs/dbraw/zinc/30/67/74/344306774.db2.gz VNMYRASYZZCOBE-UHFFFAOYSA-N 0 0 192.327 3.836 10 30 AHEERN C=C1CC[C@@H](C)c2ccccc21 ZINC000167552749 166145997 /nfs/dbraw/zinc/14/59/97/166145997.db2.gz WTPNOCYHOZTSNK-SNVBAGLBSA-N 0 0 158.244 3.597 10 30 AHEERN C=C1CC[C@H](C)c2ccccc21 ZINC000167552854 166145667 /nfs/dbraw/zinc/14/56/67/166145667.db2.gz WTPNOCYHOZTSNK-JTQLQIEISA-N 0 0 158.244 3.597 10 30 AHEERN C=CCCn1ccc2ccc(C)cc21 ZINC000167622050 344309620 /nfs/dbraw/zinc/30/96/20/344309620.db2.gz MLVVVNUPEZORLU-UHFFFAOYSA-N 0 0 185.270 3.526 10 30 AHEERN N#CCCCc1cccc2ccccc21 ZINC000167901917 344316495 /nfs/dbraw/zinc/31/64/95/344316495.db2.gz AZEUEOLTUKAHIX-UHFFFAOYSA-N 0 0 195.265 3.686 10 30 AHEERN CC(C)=CC(=O)c1cc(C)c(C)s1 ZINC000169156561 344347241 /nfs/dbraw/zinc/34/72/41/344347241.db2.gz UTYIWNWRZITKFP-UHFFFAOYSA-N 0 0 194.299 3.514 10 30 AHEERN CCCC/C=C\C#C[Si](C)(C)C ZINC000195895509 371691494 /nfs/dbraw/zinc/69/14/94/371691494.db2.gz QQNRSQZRCIYEMI-HJWRWDBZSA-N 0 0 180.367 3.614 10 30 AHEERN C=CC(C)(C)Oc1ccc(Cl)cc1 ZINC000196079762 344355416 /nfs/dbraw/zinc/35/54/16/344355416.db2.gz WAKWDVJCBDWOOV-UHFFFAOYSA-N 0 0 196.677 3.683 10 30 AHEERN C=C(C)c1ccc(-c2ccccc2)[nH]1 ZINC000196105276 571857369 /nfs/dbraw/zinc/85/73/69/571857369.db2.gz SHNFYMNICFQONT-UHFFFAOYSA-N 0 0 183.254 3.715 10 30 AHEERN C=CC(C)(C)Nc1ccccc1Cl ZINC000196169129 571986472 /nfs/dbraw/zinc/98/64/72/571986472.db2.gz XZCUTIYUVQULEM-UHFFFAOYSA-N 0 0 195.693 3.717 10 30 AHEERN O=C[C@@H]1CC/C=C/CC/C=C/CCC1 ZINC000196209035 572216367 /nfs/dbraw/zinc/21/63/67/572216367.db2.gz OAPGEXRXFPLLLJ-DSHJADABSA-N 0 0 192.302 3.658 10 30 AHEERN C=CCSc1cc2ccccc2o1 ZINC000196209119 572216707 /nfs/dbraw/zinc/21/67/07/572216707.db2.gz WSRJKDFJGVPQIJ-UHFFFAOYSA-N 0 0 190.267 3.711 10 30 AHEERN Cc1nc2ccc(N=[N+]=[N-])cc2s1 ZINC000196376131 566275119 /nfs/dbraw/zinc/27/51/19/566275119.db2.gz PAHZNHLOQDEDKC-UHFFFAOYSA-N 0 0 190.231 3.547 10 30 AHEERN C=CC[Si]1(CC=C)CCCC1 ZINC000196388782 409506951 /nfs/dbraw/zinc/50/69/51/409506951.db2.gz MKZRJOAJTFJPGJ-UHFFFAOYSA-N 0 0 166.340 3.601 10 30 AHEERN [N-]=[N+]=Nc1cc2ccccc2s1 ZINC000196413131 571946429 /nfs/dbraw/zinc/94/64/29/571946429.db2.gz RCVOEVVICAYRHX-UHFFFAOYSA-N 0 0 175.216 3.843 10 30 AHEERN C#C[Si](CCC)(CCC)CCC ZINC000196585616 344357955 /nfs/dbraw/zinc/35/79/55/344357955.db2.gz LFMOVGIUNFJMRV-UHFFFAOYSA-N 0 0 182.383 3.838 10 30 AHEERN C=C[C@@](C)(F)CCC=C(C)C ZINC000196591195 344357942 /nfs/dbraw/zinc/35/79/42/344357942.db2.gz FCVNMMHXAZKIHF-SNVBAGLBSA-N 0 0 156.244 3.647 10 30 AHEERN C=C[C@](C)(F)CCC=C(C)C ZINC000196591212 344357984 /nfs/dbraw/zinc/35/79/84/344357984.db2.gz FCVNMMHXAZKIHF-JTQLQIEISA-N 0 0 156.244 3.647 10 30 AHEERN C=CCO[C@H](C)CCCCCC ZINC000196736691 572960864 /nfs/dbraw/zinc/96/08/64/572960864.db2.gz PWWOKMXYIAKHJR-LLVKDONJSA-N 0 0 170.296 3.548 10 30 AHEERN C=C(C)CCc1cccc2cc[nH]c21 ZINC000196739666 572962824 /nfs/dbraw/zinc/96/28/24/572962824.db2.gz PMQLDEWNRSIBDO-UHFFFAOYSA-N 0 0 185.270 3.677 10 30 AHEERN C=CCCCC[Si](C)(C)C ZINC000196907902 572652317 /nfs/dbraw/zinc/65/23/17/572652317.db2.gz KBKPDCWPTXBJEQ-UHFFFAOYSA-N 0 0 156.345 3.681 10 30 AHEERN C=CC/C=C(\Br)CCC ZINC000198226853 573514874 /nfs/dbraw/zinc/51/48/74/573514874.db2.gz GPVNSILYLJYVQF-FPLPWBNLSA-N 0 0 189.096 3.641 10 30 AHEERN C=CC[C@H]1CC(=O)CC[C@H]1C(C)(C)C ZINC000200455179 583273096 /nfs/dbraw/zinc/27/30/96/583273096.db2.gz FPJLDOWRVPVURP-CMPLNLGQSA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@H]1CC(=O)CC[C@@H]1C(C)(C)C ZINC000200455211 583273384 /nfs/dbraw/zinc/27/33/84/583273384.db2.gz FPJLDOWRVPVURP-JQWIXIFHSA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@@H]1CC(=O)CC[C@H]1C(C)(C)C ZINC000200455249 583273556 /nfs/dbraw/zinc/27/35/56/583273556.db2.gz FPJLDOWRVPVURP-ZYHUDNBSSA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@@H]1CC(=O)CC[C@@H]1C(C)(C)C ZINC000200455280 583273564 /nfs/dbraw/zinc/27/35/64/583273564.db2.gz FPJLDOWRVPVURP-PWSUYJOCSA-N 0 0 194.318 3.594 10 30 AHEERN C=C(C)c1ccc2ccc(O)cc2c1 ZINC000202351692 582706963 /nfs/dbraw/zinc/70/69/63/582706963.db2.gz LPSZULWRRSVIBH-UHFFFAOYSA-N 0 0 184.238 3.579 10 30 AHEERN C=C(C)/C=C\CC(=C)CCCC(C)=O ZINC000204830810 572543903 /nfs/dbraw/zinc/54/39/03/572543903.db2.gz WEQFVUGMTKIOFZ-ALCCZGGFSA-N 0 0 192.302 3.824 10 30 AHEERN C=C1CCCC(C)(C)[C@]1(O)CCCC ZINC000205011637 571751149 /nfs/dbraw/zinc/75/11/49/571751149.db2.gz OMXRZNGAYDNNJQ-ZDUSSCGKSA-N 0 0 196.334 3.674 10 30 AHEERN C=C1CCCC(C)(C)[C@@]1(O)CCCC ZINC000205011651 571749462 /nfs/dbraw/zinc/74/94/62/571749462.db2.gz OMXRZNGAYDNNJQ-CYBMUJFWSA-N 0 0 196.334 3.674 10 30 AHEERN C=CC(C)(C)Nc1ccc(Cl)cc1 ZINC000205028055 571751110 /nfs/dbraw/zinc/75/11/10/571751110.db2.gz HQIFWGPZZDLFRC-UHFFFAOYSA-N 0 0 195.693 3.717 10 30 AHEERN C=C(C)[C@@H]1CC=C(CSC)CC1 ZINC000205153453 572811640 /nfs/dbraw/zinc/81/16/40/572811640.db2.gz VAPAEDOECNPTLS-LLVKDONJSA-N 0 0 182.332 3.652 10 30 AHEERN C=C[C@](C)(CCC=C(C)C)C(C)(C)O ZINC000205160273 572804057 /nfs/dbraw/zinc/80/40/57/572804057.db2.gz GTRUOFNYMAVISF-CYBMUJFWSA-N 0 0 196.334 3.696 10 30 AHEERN C=C[C@@](C)(CCC=C(C)C)C(C)(C)O ZINC000205160287 572804141 /nfs/dbraw/zinc/80/41/41/572804141.db2.gz GTRUOFNYMAVISF-ZDUSSCGKSA-N 0 0 196.334 3.696 10 30 AHEERN C=C1C=C[C@H]2[C@@]1(C)C=CCC2(C)C ZINC000205207341 572785842 /nfs/dbraw/zinc/78/58/42/572785842.db2.gz MPOGEJYJBUFICX-YPMHNXCESA-N 0 0 174.287 3.721 10 30 AHEERN C=C1C=C[C@H]2[C@]1(C)C=CCC2(C)C ZINC000205207357 572785761 /nfs/dbraw/zinc/78/57/61/572785761.db2.gz MPOGEJYJBUFICX-DGCLKSJQSA-N 0 0 174.287 3.721 10 30 AHEERN C=C1C=C[C@@H]2[C@@]1(C)C=CCC2(C)C ZINC000205207372 572785735 /nfs/dbraw/zinc/78/57/35/572785735.db2.gz MPOGEJYJBUFICX-AAEUAGOBSA-N 0 0 174.287 3.721 10 30 AHEERN C=C1C=C[C@@H]2[C@]1(C)C=CCC2(C)C ZINC000205207386 572785758 /nfs/dbraw/zinc/78/57/58/572785758.db2.gz MPOGEJYJBUFICX-WCQYABFASA-N 0 0 174.287 3.721 10 30 AHEERN C=C(C)C[Si](C)(C)CC(=C)C ZINC000205270370 344371160 /nfs/dbraw/zinc/37/11/60/344371160.db2.gz HWGHQQLCXFZXDL-UHFFFAOYSA-N 0 0 168.356 3.847 10 30 AHEERN C=COC(=O)/C=C\CCCCCCC ZINC000205343160 573862541 /nfs/dbraw/zinc/86/25/41/573862541.db2.gz DPWAODQLQROODR-KHPPLWFESA-N 0 0 196.290 3.590 10 30 AHEERN C=COC(=O)/C=C/CCCCCCC ZINC000205343172 573862745 /nfs/dbraw/zinc/86/27/45/573862745.db2.gz DPWAODQLQROODR-ZHACJKMWSA-N 0 0 196.290 3.590 10 30 AHEERN C=C(C)C1=C(C)CC[C@@H](C(C)C)C1=O ZINC000205455310 573289474 /nfs/dbraw/zinc/28/94/74/573289474.db2.gz JUIHVZGOBADIQY-NSHDSACASA-N 0 0 192.302 3.514 10 30 AHEERN C=C(C)C1=C(C)CC[C@H](C(C)C)C1=O ZINC000205455323 573283579 /nfs/dbraw/zinc/28/35/79/573283579.db2.gz JUIHVZGOBADIQY-LLVKDONJSA-N 0 0 192.302 3.514 10 30 AHEERN C=CCC(C)(C)CC=C1CC1 ZINC000205482590 344373643 /nfs/dbraw/zinc/37/36/43/344373643.db2.gz ZRFDGRZUNQBRDM-UHFFFAOYSA-N 0 0 150.265 3.699 10 30 AHEERN CC/C(C)=N\Sc1ccccc1 ZINC000205501401 573836115 /nfs/dbraw/zinc/83/61/15/573836115.db2.gz CZUOCHWNPJBXIM-LUAWRHEFSA-N 0 0 179.288 3.565 10 30 AHEERN CC/C(C)=N/Sc1ccccc1 ZINC000205501410 573838240 /nfs/dbraw/zinc/83/82/40/573838240.db2.gz CZUOCHWNPJBXIM-PKNBQFBNSA-N 0 0 179.288 3.565 10 30 AHEERN C=C(C)CCC/C=C(/C)CC(C)(C)O ZINC000205915874 571808392 /nfs/dbraw/zinc/80/83/92/571808392.db2.gz LLFHHKKITHTHNY-XFXZXTDPSA-N 0 0 196.334 3.840 10 30 AHEERN CCCC[C@H](C=O)C/C=C(/C)Cl ZINC000206007643 572342009 /nfs/dbraw/zinc/34/20/09/572342009.db2.gz LMSYRJYNYYZERE-MBACFSSFSA-N 0 0 188.698 3.524 10 30 AHEERN CCCC[C@@H](C=O)C/C=C(/C)Cl ZINC000206007686 572339547 /nfs/dbraw/zinc/33/95/47/572339547.db2.gz LMSYRJYNYYZERE-ABRRARGCSA-N 0 0 188.698 3.524 10 30 AHEERN C=C(C=C1SCCCS1)CC ZINC000206021185 571762617 /nfs/dbraw/zinc/76/26/17/571762617.db2.gz ZVJLLRHBFVTLLP-UHFFFAOYSA-N 0 0 186.345 3.664 10 30 AHEERN C#CC[C@H](CCCC)c1ccccc1 ZINC000206179992 571823136 /nfs/dbraw/zinc/82/31/36/571823136.db2.gz ZREBTVSJCBPPAC-CYBMUJFWSA-N 0 0 186.298 3.984 10 30 AHEERN C#CCCCC/C=C/CCCCC#C ZINC000206720515 571824666 /nfs/dbraw/zinc/82/46/66/571824666.db2.gz IUIQBZJUIRKYGW-BUHFOSPRSA-N 0 0 188.314 3.930 10 30 AHEERN C=C[C@H](C/C=C\C)SC(C)C ZINC000206845985 571825866 /nfs/dbraw/zinc/82/58/66/571825866.db2.gz XZFHDKWSUSTNER-ONRRBMGISA-N 0 0 170.321 3.649 10 30 AHEERN C=C([C@H](C)C(=O)CC)[C@@H](C)C(C)(C)C ZINC000206945880 572412546 /nfs/dbraw/zinc/41/25/46/572412546.db2.gz HUWDBAFDYFCGCU-WDEREUQCSA-N 0 0 196.334 3.840 10 30 AHEERN C=C([C@H](C)C(C)(C)C)[C@H](C)C(=O)CC ZINC000206945963 572412428 /nfs/dbraw/zinc/41/24/28/572412428.db2.gz HUWDBAFDYFCGCU-QWRGUYRKSA-N 0 0 196.334 3.840 10 30 AHEERN CCC/C=C/C(=O)[C@H](C)[Si](C)(C)C ZINC000207058910 572425632 /nfs/dbraw/zinc/42/56/32/572425632.db2.gz LVIJPGUOXFXWQB-DDXVTDLHSA-N 0 0 198.382 3.640 10 30 AHEERN C=CC[C@@]1(C(=C)C)CC[C@@H](C)CC1=O ZINC000207072791 571827718 /nfs/dbraw/zinc/82/77/18/571827718.db2.gz JCIJFHYOUZDUAC-YPMHNXCESA-N 0 0 192.302 3.514 10 30 AHEERN C=CC[C@H](/C=C\c1ccccc1)CC#N ZINC000207201838 572050789 /nfs/dbraw/zinc/05/07/89/572050789.db2.gz AXZBVCAPWWCCDY-ASCRHOAZSA-N 0 0 197.281 3.806 10 30 AHEERN C=CC[C@H](/C=C/c1ccccc1)CC#N ZINC000207201888 572050265 /nfs/dbraw/zinc/05/02/65/572050265.db2.gz AXZBVCAPWWCCDY-WTNCMQEWSA-N 0 0 197.281 3.806 10 30 AHEERN C=CC[C@@H](/C=C/c1ccccc1)CC#N ZINC000207201975 572051354 /nfs/dbraw/zinc/05/13/54/572051354.db2.gz AXZBVCAPWWCCDY-LXKVQUBZSA-N 0 0 197.281 3.806 10 30 AHEERN CCCCCC#CCC1=CC=CC1 ZINC000207325526 571774646 /nfs/dbraw/zinc/77/46/46/571774646.db2.gz SGGXYEPGQDBLPK-UHFFFAOYSA-N 0 0 174.287 3.847 10 30 AHEERN CCCCCCC#C/C=C\Cl ZINC000207327325 344376108 /nfs/dbraw/zinc/37/61/08/344376108.db2.gz VCYBTQJFHZUNNG-KTKRTIGZSA-N 0 0 170.683 3.713 10 30 AHEERN C=C/C=C/CCCCCC(=O)C(=C)C ZINC000207440176 571942437 /nfs/dbraw/zinc/94/24/37/571942437.db2.gz FICHCQXLBKRMAJ-AATRIKPKSA-N 0 0 192.302 3.824 10 30 AHEERN C=C(C)/C=C/[C@@H](CC)CCC(C)=O ZINC000207496497 571830126 /nfs/dbraw/zinc/83/01/26/571830126.db2.gz GWMMTQVXTQFSNG-WAFBPQNNSA-N 0 0 180.291 3.514 10 30 AHEERN C=C/C=C1\C(=C)CCCC1(C)C ZINC000207678373 571827554 /nfs/dbraw/zinc/82/75/54/571827554.db2.gz IISGHHDQOHCLNK-YRNVUSSQSA-N 0 0 162.276 3.865 10 30 AHEERN O/N=C1/CCCC[C@H]1C1CCCCC1 ZINC000207931204 572731661 /nfs/dbraw/zinc/73/16/61/572731661.db2.gz HFAAGBQVHWZNSY-IBPBOOLHSA-N 0 0 195.306 3.587 10 30 AHEERN O/N=C1/CCCC[C@@H]1C1CCCCC1 ZINC000207931247 572731437 /nfs/dbraw/zinc/73/14/37/572731437.db2.gz HFAAGBQVHWZNSY-LPJIALBHSA-N 0 0 195.306 3.587 10 30 AHEERN C=C(C)[C@H]1CC=C(C)[C@](C)(CC=O)C1 ZINC000208274200 572957046 /nfs/dbraw/zinc/95/70/46/572957046.db2.gz BXVAFRMILWYKMH-QWHCGFSZSA-N 0 0 192.302 3.514 10 30 AHEERN C=C(C)[C@H]1CC=C(C)[C@@](C)(CC=O)C1 ZINC000208274241 572957995 /nfs/dbraw/zinc/95/79/95/572957995.db2.gz BXVAFRMILWYKMH-STQMWFEESA-N 0 0 192.302 3.514 10 30 AHEERN C=C(C)[C@@H]1CC=C(C)[C@@](C)(CC=O)C1 ZINC000208274275 572957054 /nfs/dbraw/zinc/95/70/54/572957054.db2.gz BXVAFRMILWYKMH-OLZOCXBDSA-N 0 0 192.302 3.514 10 30 AHEERN C=C[C@@H](/C=C/C)CCCCC ZINC000209658986 344377105 /nfs/dbraw/zinc/37/71/05/344377105.db2.gz XZHOQXCNEVHQGN-NKLKJHRZSA-N 0 0 152.281 3.945 10 30 AHEERN C=C[C@H](/C=C\C)CCCCC ZINC000209659023 344377087 /nfs/dbraw/zinc/37/70/87/344377087.db2.gz XZHOQXCNEVHQGN-YOOZJCNJSA-N 0 0 152.281 3.945 10 30 AHEERN C=C[C@H](/C=C/C)CCCCC ZINC000209659052 344377042 /nfs/dbraw/zinc/37/70/42/344377042.db2.gz XZHOQXCNEVHQGN-FZPLPXEFSA-N 0 0 152.281 3.945 10 30 AHEERN C=C[C@](C)(CC)[C@H](O)C1CCCCC1 ZINC000211169821 571900370 /nfs/dbraw/zinc/90/03/70/571900370.db2.gz DXENNOMWLYYPAF-CHWSQXEVSA-N 0 0 196.334 3.530 10 30 AHEERN CC/C=C\[C@](C=O)(C=C=C(C)C)CC ZINC000211667380 571900386 /nfs/dbraw/zinc/90/03/86/571900386.db2.gz PVIFKTKTHUBWFV-JWJUJFCLSA-N 0 0 192.302 3.669 10 30 AHEERN C=C(C)[C@@H]1CCC=C(C)[C@]1(C)CC=O ZINC000211977356 573635892 /nfs/dbraw/zinc/63/58/92/573635892.db2.gz OHIWGICMRJTZHZ-STQMWFEESA-N 0 0 192.302 3.514 10 30 AHEERN C=C(C)[C@H]1CCC=C(C)[C@@]1(C)CC=O ZINC000211977427 573635081 /nfs/dbraw/zinc/63/50/81/573635081.db2.gz OHIWGICMRJTZHZ-CHWSQXEVSA-N 0 0 192.302 3.514 10 30 AHEERN C=C(C)[C@@H]1CCC=C(C)[C@@]1(C)CC=O ZINC000211977500 573636944 /nfs/dbraw/zinc/63/69/44/573636944.db2.gz OHIWGICMRJTZHZ-QWHCGFSZSA-N 0 0 192.302 3.514 10 30 AHEERN C=CCC(C)(C)C[C@H]1C(=O)CC[C@H]1C ZINC000212552896 573219036 /nfs/dbraw/zinc/21/90/36/573219036.db2.gz CFALARAGWOENSF-GHMZBOCLSA-N 0 0 194.318 3.594 10 30 AHEERN C=CCC(C)(C)C[C@@H]1C(=O)CC[C@@H]1C ZINC000212553028 573215901 /nfs/dbraw/zinc/21/59/01/573215901.db2.gz CFALARAGWOENSF-QWRGUYRKSA-N 0 0 194.318 3.594 10 30 AHEERN C=C(C)c1cc(Cl)cc(C(C)=O)c1 ZINC000213816662 571672939 /nfs/dbraw/zinc/67/29/39/571672939.db2.gz INPTXQJWZAETJQ-UHFFFAOYSA-N 0 0 194.661 3.576 10 30 AHEERN N#C[C@@H](C1CC1)C1CCCCCC1 ZINC000213926441 571683197 /nfs/dbraw/zinc/68/31/97/571683197.db2.gz UGCAMUDUPUTNPA-GFCCVEGCSA-N 0 0 177.291 3.507 10 30 AHEERN N#C[C@H](C1CC1)C1CCCCCC1 ZINC000213926501 571684587 /nfs/dbraw/zinc/68/45/87/571684587.db2.gz UGCAMUDUPUTNPA-LBPRGKRZSA-N 0 0 177.291 3.507 10 30 AHEERN N#CC(C1CCCC1)C1CCCC1 ZINC000213926590 571684233 /nfs/dbraw/zinc/68/42/33/571684233.db2.gz ILOPNNNFQUXHAE-UHFFFAOYSA-N 0 0 177.291 3.507 10 30 AHEERN N#C[C@@H](C1CCC1)C1CCCCC1 ZINC000213926669 571685076 /nfs/dbraw/zinc/68/50/76/571685076.db2.gz CFDNDWLXEOWECQ-GFCCVEGCSA-N 0 0 177.291 3.507 10 30 AHEERN CC(C)[C@@H](C#N)C1CCCCCC1 ZINC000213936389 571684958 /nfs/dbraw/zinc/68/49/58/571684958.db2.gz OVSCAPZDPRPJRX-GFCCVEGCSA-N 0 0 179.307 3.753 10 30 AHEERN CC(C)[C@H](C#N)C1CCCCCC1 ZINC000213936454 571684629 /nfs/dbraw/zinc/68/46/29/571684629.db2.gz OVSCAPZDPRPJRX-LBPRGKRZSA-N 0 0 179.307 3.753 10 30 AHEERN N#C[C@@H](C1CCC1)C1CCCCCC1 ZINC000214127561 571719358 /nfs/dbraw/zinc/71/93/58/571719358.db2.gz FCPQDORBPJEKEH-CYBMUJFWSA-N 0 0 191.318 3.897 10 30 AHEERN N#C[C@H](C1CCC1)C1CCCCCC1 ZINC000214127622 571720383 /nfs/dbraw/zinc/72/03/83/571720383.db2.gz FCPQDORBPJEKEH-ZDUSSCGKSA-N 0 0 191.318 3.897 10 30 AHEERN N#C[C@@H](C1CCCC1)C1CCCCC1 ZINC000214127703 571720143 /nfs/dbraw/zinc/72/01/43/571720143.db2.gz QCYDGXSCCSWBHV-CYBMUJFWSA-N 0 0 191.318 3.897 10 30 AHEERN N#C[C@H](C1CCCC1)C1CCCCC1 ZINC000214127762 571719566 /nfs/dbraw/zinc/71/95/66/571719566.db2.gz QCYDGXSCCSWBHV-ZDUSSCGKSA-N 0 0 191.318 3.897 10 30 AHEERN CCCCCCCC[C@H]1C=C[C@@H](O)C1 ZINC000214189081 571729966 /nfs/dbraw/zinc/72/99/66/571729966.db2.gz TVKVPZGPLICBIO-QWHCGFSZSA-N 0 0 196.334 3.674 10 30 AHEERN CCCCCCCC[C@@H]1C=C[C@@H](O)C1 ZINC000214189132 571731131 /nfs/dbraw/zinc/73/11/31/571731131.db2.gz TVKVPZGPLICBIO-CHWSQXEVSA-N 0 0 196.334 3.674 10 30 AHEERN CCCCCCCC[C@H]1C=C[C@H](O)C1 ZINC000214189190 571730875 /nfs/dbraw/zinc/73/08/75/571730875.db2.gz TVKVPZGPLICBIO-STQMWFEESA-N 0 0 196.334 3.674 10 30 AHEERN CC(C)(C)C(CCC#N)C(C)(C)C ZINC000214289038 571746467 /nfs/dbraw/zinc/74/64/67/571746467.db2.gz JPTPEUYNCAGTCR-UHFFFAOYSA-N 0 0 181.323 3.999 10 30 AHEERN CCCCCC/C=C\CCC(C)=O ZINC000214444677 571756002 /nfs/dbraw/zinc/75/60/02/571756002.db2.gz DUBFULMQDVINDM-HJWRWDBZSA-N 0 0 182.307 3.882 10 30 AHEERN CCC(CC)c1cccc(CC#N)c1 ZINC000214497873 571787544 /nfs/dbraw/zinc/78/75/44/571787544.db2.gz WHBOSMFVDGPPIN-UHFFFAOYSA-N 0 0 187.286 3.656 10 30 AHEERN CCC(CC)c1ccccc1CC#N ZINC000214497953 571786871 /nfs/dbraw/zinc/78/68/71/571786871.db2.gz NSYBSEGRVFYIJE-UHFFFAOYSA-N 0 0 187.286 3.656 10 30 AHEERN CCC(CC)c1ccc(CC#N)cc1 ZINC000214498032 571785969 /nfs/dbraw/zinc/78/59/69/571785969.db2.gz CATKPBBKYBQRKZ-UHFFFAOYSA-N 0 0 187.286 3.656 10 30 AHEERN C=C(C)[C@@H](O)/C=C\CCCCCCC ZINC000214539895 571820168 /nfs/dbraw/zinc/82/01/68/571820168.db2.gz RJDJIMPWUWJSMS-OEYXZAGESA-N 0 0 196.334 3.840 10 30 AHEERN C=C(C)[C@H](O)/C=C\CCCCCCC ZINC000214539952 571821833 /nfs/dbraw/zinc/82/18/33/571821833.db2.gz RJDJIMPWUWJSMS-BSYHEUMXSA-N 0 0 196.334 3.840 10 30 AHEERN CCc1cc(Cl)cc([C@@H](C)C#N)c1 ZINC000214755385 572702403 /nfs/dbraw/zinc/70/24/03/572702403.db2.gz QCONCZGHJCUPKN-QMMMGPOBSA-N 0 0 193.677 3.529 10 30 AHEERN CCc1cc(Cl)cc([C@H](C)C#N)c1 ZINC000214755440 572704407 /nfs/dbraw/zinc/70/44/07/572704407.db2.gz QCONCZGHJCUPKN-MRVPVSSYSA-N 0 0 193.677 3.529 10 30 AHEERN Cc1cc([C@@H](C)C#N)cc(Cl)c1C ZINC000214755641 572703884 /nfs/dbraw/zinc/70/38/84/572703884.db2.gz BQRVZEKBLQCAOM-QMMMGPOBSA-N 0 0 193.677 3.584 10 30 AHEERN Cc1ccc([C@@H](C)C#N)c(C)c1Cl ZINC000214755762 572703322 /nfs/dbraw/zinc/70/33/22/572703322.db2.gz ACSYLXTZQCDQJK-QMMMGPOBSA-N 0 0 193.677 3.584 10 30 AHEERN Cc1cc(Cl)c(C)c([C@@H](C)C#N)c1 ZINC000214755877 572702594 /nfs/dbraw/zinc/70/25/94/572702594.db2.gz REZTVWYEISMLIX-QMMMGPOBSA-N 0 0 193.677 3.584 10 30 AHEERN Cc1cc(Cl)c(C)c([C@H](C)C#N)c1 ZINC000214755923 572704047 /nfs/dbraw/zinc/70/40/47/572704047.db2.gz REZTVWYEISMLIX-MRVPVSSYSA-N 0 0 193.677 3.584 10 30 AHEERN Cc1cc([C@@H](C)C#N)c(C)cc1Cl ZINC000214755997 572703496 /nfs/dbraw/zinc/70/34/96/572703496.db2.gz DFFRGCWAVWLDSX-VIFPVBQESA-N 0 0 193.677 3.584 10 30 AHEERN Cc1cc([C@H](C)C#N)c(C)cc1Cl ZINC000214756044 572703152 /nfs/dbraw/zinc/70/31/52/572703152.db2.gz DFFRGCWAVWLDSX-SECBINFHSA-N 0 0 193.677 3.584 10 30 AHEERN Cc1cc(C)c([C@@H](C)C#N)c(Cl)c1 ZINC000214756121 572703989 /nfs/dbraw/zinc/70/39/89/572703989.db2.gz MJAUTEMDSLTCID-VIFPVBQESA-N 0 0 193.677 3.584 10 30 AHEERN Cc1cc(C)c([C@H](C)C#N)c(Cl)c1 ZINC000214756175 572703140 /nfs/dbraw/zinc/70/31/40/572703140.db2.gz MJAUTEMDSLTCID-SECBINFHSA-N 0 0 193.677 3.584 10 30 AHEERN Cc1ccc(C)c([C@@H](C)C#N)c1Cl ZINC000214756250 572703161 /nfs/dbraw/zinc/70/31/61/572703161.db2.gz SPAQAOFTXUXMNQ-VIFPVBQESA-N 0 0 193.677 3.584 10 30 AHEERN Cc1cc(C)c(Cl)c([C@@H](C)C#N)c1 ZINC000214756369 572704539 /nfs/dbraw/zinc/70/45/39/572704539.db2.gz ZLKGOVHXGRBRTI-VIFPVBQESA-N 0 0 193.677 3.584 10 30 AHEERN Cc1cc(C)c([C@@H](C)C#N)cc1Cl ZINC000214756493 572702649 /nfs/dbraw/zinc/70/26/49/572702649.db2.gz GURSWKGRQJTKRS-VIFPVBQESA-N 0 0 193.677 3.584 10 30 AHEERN Cc1cc([C@@H](C)C#N)cc(C)c1Cl ZINC000214756611 573359019 /nfs/dbraw/zinc/35/90/19/573359019.db2.gz CQYZYOOPNUHUKJ-VIFPVBQESA-N 0 0 193.677 3.584 10 30 AHEERN CC(C)c1ccc(Cl)cc1CC#N ZINC000214757509 572704411 /nfs/dbraw/zinc/70/44/11/572704411.db2.gz ONKGGNXHHFIKBE-UHFFFAOYSA-N 0 0 193.677 3.529 10 30 AHEERN C=CC/C(=C/CCO)CCC=C(C)C ZINC000214780777 571961830 /nfs/dbraw/zinc/96/18/30/571961830.db2.gz YIXCOUNSVVIZBT-RAXLEYEMSA-N 0 0 194.318 3.618 10 30 AHEERN Cc1cc2cc(C(C)(C)C#N)ccc2o1 ZINC000214981091 573799979 /nfs/dbraw/zinc/79/99/79/573799979.db2.gz SECJADFROVNFIM-UHFFFAOYSA-N 0 0 199.253 3.542 10 30 AHEERN N#CCc1cccc(C2CCCCC2)c1 ZINC000214989446 573829675 /nfs/dbraw/zinc/82/96/75/573829675.db2.gz KMTYIGRCIVMCDS-UHFFFAOYSA-N 0 0 199.297 3.800 10 30 AHEERN CC(C)(C)c1ccccc1C1(C#N)CC1 ZINC000214989511 573829412 /nfs/dbraw/zinc/82/94/12/573829412.db2.gz MYEALHYWTZYJIF-UHFFFAOYSA-N 0 0 199.297 3.539 10 30 AHEERN CC(C)c1sc(CC#N)cc1Cl ZINC000215010737 573896742 /nfs/dbraw/zinc/89/67/42/573896742.db2.gz KDPWEDNOZMQZHH-UHFFFAOYSA-N 0 0 199.706 3.591 10 30 AHEERN Cc1sc(C(C)(C)C#N)cc1Cl ZINC000215010810 573896913 /nfs/dbraw/zinc/89/69/13/573896913.db2.gz VEXNGBHDOJBFBT-UHFFFAOYSA-N 0 0 199.706 3.511 10 30 AHEERN Cc1cc(Cl)c(C(C)(C)C#N)s1 ZINC000215010878 573895599 /nfs/dbraw/zinc/89/55/99/573895599.db2.gz JPKKSDROWMMWLT-UHFFFAOYSA-N 0 0 199.706 3.511 10 30 AHEERN C=CC/C(=C/CCC(=C)C)CCC=O ZINC000215106913 573245478 /nfs/dbraw/zinc/24/54/78/573245478.db2.gz AVIQDFNWXQCKLA-LCYFTJDESA-N 0 0 192.302 3.824 10 30 AHEERN CCCCC/C=C\C#C/C=C\Cl ZINC000215409201 573790123 /nfs/dbraw/zinc/79/01/23/573790123.db2.gz VLWGSJUHNXSFIO-QOXWLJPHSA-N 0 0 182.694 3.879 10 30 AHEERN CCCCC/C=C/C#C/C=C\Cl ZINC000215409241 573788739 /nfs/dbraw/zinc/78/87/39/573788739.db2.gz VLWGSJUHNXSFIO-WFKFFMJQSA-N 0 0 182.694 3.879 10 30 AHEERN CCCCC/C=C\C#C/C=C/Cl ZINC000215409284 573788507 /nfs/dbraw/zinc/78/85/07/573788507.db2.gz VLWGSJUHNXSFIO-JFEAUALZSA-N 0 0 182.694 3.879 10 30 AHEERN C=C(C)CC[C@@H](O)/C=C\CCCCC ZINC000215844482 573749348 /nfs/dbraw/zinc/74/93/48/573749348.db2.gz OLRYLPGRYASKSB-YXVBKTCISA-N 0 0 196.334 3.840 10 30 AHEERN CCCCCCC#CC#C/C=C\Cl ZINC000216142502 571921185 /nfs/dbraw/zinc/92/11/85/571921185.db2.gz CGLINEVDMKFHPM-QXMHVHEDSA-N 0 0 194.705 3.716 10 30 AHEERN C=CCC/C=C\c1ccccc1NC ZINC000216251412 571921492 /nfs/dbraw/zinc/92/14/92/571921492.db2.gz DJNJXLBIPZIWQB-TWGQIWQCSA-N 0 0 187.286 3.708 10 30 AHEERN N#CC1(C2CCC(F)(F)CC2)CCC1 ZINC000218414611 344412268 /nfs/dbraw/zinc/41/22/68/344412268.db2.gz NUCSGDNJXCGXFD-UHFFFAOYSA-N 0 0 199.244 3.506 10 30 AHEERN C[Si](C)(C)CC/C=C\CCCC=O ZINC000219087546 572053349 /nfs/dbraw/zinc/05/33/49/572053349.db2.gz LHPDEVIBSJWTCX-ALCCZGGFSA-N 0 0 198.382 3.640 10 30 AHEERN C[Si](C)(C)C/C=C/CCCCC=O ZINC000219241744 572051897 /nfs/dbraw/zinc/05/18/97/572051897.db2.gz WUBFMLYOBGAFHV-VQHVLOKHSA-N 0 0 198.382 3.640 10 30 AHEERN C=C(C)/C=C\CCc1ccccc1 ZINC000219972140 572871341 /nfs/dbraw/zinc/87/13/41/572871341.db2.gz IFTSUFVUGJSAKU-VURMDHGXSA-N 0 0 172.271 3.752 10 30 AHEERN C=C[C@H](/C=C\CCCCC)C[C@@H](C)O ZINC000220762010 572222465 /nfs/dbraw/zinc/22/24/65/572222465.db2.gz FGZALPVNYXETIC-CYZFJHGLSA-N 0 0 196.334 3.696 10 30 AHEERN CCCCCC/C=C/C=C\CCCO ZINC000221256901 572225407 /nfs/dbraw/zinc/22/54/07/572225407.db2.gz AXPCFPYKKIVEAL-GOJKSUSPSA-N 0 0 196.334 3.842 10 30 AHEERN C=C(C)c1cc2cc(Cl)ccc2[nH]1 ZINC000221757161 572400515 /nfs/dbraw/zinc/40/05/15/572400515.db2.gz MOKYZLSNCHFPRP-UHFFFAOYSA-N 0 0 191.661 3.854 10 30 AHEERN C=CCCCCCCCC/C=C\CO ZINC000222036928 572966276 /nfs/dbraw/zinc/96/62/76/572966276.db2.gz PNZOGWDTGAVHOT-QXMHVHEDSA-N 0 0 196.334 3.842 10 30 AHEERN CC(C)(C)P(CCC#N)C(C)(C)C ZINC000222105658 344449253 /nfs/dbraw/zinc/44/92/53/344449253.db2.gz CNHOVDAHTVRCOK-UHFFFAOYSA-N 0 0 199.278 3.979 10 30 AHEERN CCCCC/C(Cl)=C\C(=O)CC ZINC000222470983 344452591 /nfs/dbraw/zinc/45/25/91/344452591.db2.gz CQSFNWUWLVDKBE-CMDGGOBGSA-N 0 0 188.698 3.669 10 30 AHEERN C=C[C@H](CC)c1ccccc1C ZINC000222577953 344453686 /nfs/dbraw/zinc/45/36/86/344453686.db2.gz LRMGFNSPHANOEJ-LLVKDONJSA-N 0 0 160.260 3.675 10 30 AHEERN C=CC/C(=C/CCC(=C)C)CCCO ZINC000223126851 573553906 /nfs/dbraw/zinc/55/39/06/573553906.db2.gz KNHNHUAFQXBTGN-LCYFTJDESA-N 0 0 194.318 3.618 10 30 AHEERN CCC/C=C/C(=O)c1ccc(C)cc1 ZINC000223373517 572245008 /nfs/dbraw/zinc/24/50/08/572245008.db2.gz BJGFHJIUVNEMTH-AATRIKPKSA-N 0 0 188.270 3.534 10 30 AHEERN CCCCCC/C=C1\CCC[C@H]1CO ZINC000223877757 572249128 /nfs/dbraw/zinc/24/91/28/572249128.db2.gz YKALPJWWOJTGGU-RPHSKFLZSA-N 0 0 196.334 3.676 10 30 AHEERN CCC1(C=O)CCC(C(C)(C)C)CC1 ZINC000223992197 573308108 /nfs/dbraw/zinc/30/81/08/573308108.db2.gz HRLOBCTYRBGSCI-UHFFFAOYSA-N 0 0 196.334 3.818 10 30 AHEERN CC(C)(C)C12CCC(C=O)(CC1)CC2 ZINC000224094089 573396112 /nfs/dbraw/zinc/39/61/12/573396112.db2.gz PLERZIFPYKSLGF-UHFFFAOYSA-N 0 0 194.318 3.572 10 30 AHEERN C=CCc1c[nH]c2cccc(Cl)c12 ZINC000224722577 573879326 /nfs/dbraw/zinc/87/93/26/573879326.db2.gz HAKQBMYCCZAJLJ-UHFFFAOYSA-N 0 0 191.661 3.550 10 30 AHEERN C=CCc1c[nH]c2ccc(Cl)cc12 ZINC000224723132 573877193 /nfs/dbraw/zinc/87/71/93/573877193.db2.gz SGZTWECWTUPPBB-UHFFFAOYSA-N 0 0 191.661 3.550 10 30 AHEERN N#Cc1sccc1C1CCCCC1 ZINC000225792884 573196005 /nfs/dbraw/zinc/19/60/05/573196005.db2.gz GDHMJODWSNGUHE-UHFFFAOYSA-N 0 0 191.299 3.667 10 30 AHEERN CCCC[C@H](C)CC(=O)/C=C/Cl ZINC000225955728 571697164 /nfs/dbraw/zinc/69/71/64/571697164.db2.gz AXXAKXSVZVSVMY-UCUJLANTSA-N 0 0 188.698 3.524 10 30 AHEERN C[C@H](CC#N)S[C@@H]1CCC[C@@H](C)C1 ZINC000226532545 344506014 /nfs/dbraw/zinc/50/60/14/344506014.db2.gz BPIKMIGMYDYTOC-GMTAPVOTSA-N 0 0 197.347 3.600 10 30 AHEERN C[C@H](CC#N)S[C@H]1CCC[C@@H](C)C1 ZINC000226532552 344506080 /nfs/dbraw/zinc/50/60/80/344506080.db2.gz BPIKMIGMYDYTOC-MXWKQRLJSA-N 0 0 197.347 3.600 10 30 AHEERN CC(C)=CC(=O)[C@@H]1CCCCC1(C)C ZINC000226791094 344514116 /nfs/dbraw/zinc/51/41/16/344514116.db2.gz KLEUCCUJIPMQCZ-NSHDSACASA-N 0 0 194.318 3.738 10 30 AHEERN CC(C)=CC(=O)[C@H]1CCCCC1(C)C ZINC000226791102 344514063 /nfs/dbraw/zinc/51/40/63/344514063.db2.gz KLEUCCUJIPMQCZ-LLVKDONJSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(C)C[C@@H](O)[C@@H]1CCCCC1(C)C ZINC000226924344 344517555 /nfs/dbraw/zinc/51/75/55/344517555.db2.gz QIGUMNUESWWXNA-NWDGAFQWSA-N 0 0 196.334 3.530 10 30 AHEERN C=C(C)C[C@H](O)[C@@H]1CCCCC1(C)C ZINC000226924350 344517483 /nfs/dbraw/zinc/51/74/83/344517483.db2.gz QIGUMNUESWWXNA-RYUDHWBXSA-N 0 0 196.334 3.530 10 30 AHEERN C=C(C)C[C@@H](O)[C@H]1CCCCC1(C)C ZINC000226924356 344517300 /nfs/dbraw/zinc/51/73/00/344517300.db2.gz QIGUMNUESWWXNA-VXGBXAGGSA-N 0 0 196.334 3.530 10 30 AHEERN C=C(C)C[C@H](O)[C@H]1CCCCC1(C)C ZINC000226924358 344517453 /nfs/dbraw/zinc/51/74/53/344517453.db2.gz QIGUMNUESWWXNA-NEPJUHHUSA-N 0 0 196.334 3.530 10 30 AHEERN O=C1C=C(CC2CCCC2)CCCC1 ZINC000230162752 344627672 /nfs/dbraw/zinc/62/76/72/344627672.db2.gz YLTNTOWTSAHGRE-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN CC(C)C[C@@H]1CCC[C@@H](S)C1 ZINC000230781336 344643132 /nfs/dbraw/zinc/64/31/32/344643132.db2.gz HYJLGSARCQZYPI-VHSXEESVSA-N 0 0 172.337 3.521 10 30 AHEERN CC(C)C[C@H]1CCC[C@@H](S)C1 ZINC000230781337 344643046 /nfs/dbraw/zinc/64/30/46/344643046.db2.gz HYJLGSARCQZYPI-NXEZZACHSA-N 0 0 172.337 3.521 10 30 AHEERN CC(C)C[C@@H]1CCC[C@H](S)C1 ZINC000230781339 344643239 /nfs/dbraw/zinc/64/32/39/344643239.db2.gz HYJLGSARCQZYPI-UWVGGRQHSA-N 0 0 172.337 3.521 10 30 AHEERN CC(C)C[C@H]1CCC[C@H](S)C1 ZINC000230781341 344643272 /nfs/dbraw/zinc/64/32/72/344643272.db2.gz HYJLGSARCQZYPI-ZJUUUORDSA-N 0 0 172.337 3.521 10 30 AHEERN C=C(C)[C@@]1(O)CCC[C@@H](CC(C)C)C1 ZINC000230786931 344643282 /nfs/dbraw/zinc/64/32/82/344643282.db2.gz VRJKRPCMEWEKSE-QWHCGFSZSA-N 0 0 196.334 3.530 10 30 AHEERN C=C(C)[C@]1(O)CCC[C@@H](CC(C)C)C1 ZINC000230786934 344643128 /nfs/dbraw/zinc/64/31/28/344643128.db2.gz VRJKRPCMEWEKSE-STQMWFEESA-N 0 0 196.334 3.530 10 30 AHEERN C=C(C)[C@@]1(O)CCC[C@H](CC(C)C)C1 ZINC000230786936 344643359 /nfs/dbraw/zinc/64/33/59/344643359.db2.gz VRJKRPCMEWEKSE-CHWSQXEVSA-N 0 0 196.334 3.530 10 30 AHEERN C=C(C)[C@]1(O)CCC[C@H](CC(C)C)C1 ZINC000230786940 344643266 /nfs/dbraw/zinc/64/32/66/344643266.db2.gz VRJKRPCMEWEKSE-OLZOCXBDSA-N 0 0 196.334 3.530 10 30 AHEERN C#CC[C@H](C)[Si](C)(C)C(C)(C)C ZINC000231372076 344652250 /nfs/dbraw/zinc/65/22/50/344652250.db2.gz JEQZHZNFPHANNQ-JTQLQIEISA-N 0 0 182.383 3.908 10 30 AHEERN C#CC[C@@H](C)[Si](C)(C)C(C)(C)C ZINC000231372104 344652322 /nfs/dbraw/zinc/65/23/22/344652322.db2.gz JEQZHZNFPHANNQ-SNVBAGLBSA-N 0 0 182.383 3.908 10 30 AHEERN C=C(C)CCC(=O)C1=CCCCCC1 ZINC000232586530 572860545 /nfs/dbraw/zinc/86/05/45/572860545.db2.gz QWFPKMWQKSHSQV-UHFFFAOYSA-N 0 0 192.302 3.802 10 30 AHEERN C=CCCCCC[C@H]1CCCCC1=O ZINC000232589929 571955019 /nfs/dbraw/zinc/95/50/19/571955019.db2.gz KJACCTWVGRHAQL-LBPRGKRZSA-N 0 0 194.318 3.882 10 30 AHEERN C=C[C@H](C)Nc1ccc(C(C)C)cc1 ZINC000232761671 344689541 /nfs/dbraw/zinc/68/95/41/344689541.db2.gz NGPUBGISJHFRJK-NSHDSACASA-N 0 0 189.302 3.796 10 30 AHEERN C=C[C@@H](C)Nc1ccc(C(C)C)cc1 ZINC000232761903 344689505 /nfs/dbraw/zinc/68/95/05/344689505.db2.gz NGPUBGISJHFRJK-LLVKDONJSA-N 0 0 189.302 3.796 10 30 AHEERN C/C=C(\CC)C(=O)c1csc(C)c1 ZINC000232799924 344691248 /nfs/dbraw/zinc/69/12/48/344691248.db2.gz CERUXOMURDZWEB-RUDMXATFSA-N 0 0 194.299 3.596 10 30 AHEERN CC1(C(=O)C2=CCCCCCC2)CC1 ZINC000232809566 344692354 /nfs/dbraw/zinc/69/23/54/344692354.db2.gz HEPYIUCJXQBURA-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN C=CCCCCC[C@@H](C)C(=O)CC ZINC000232842157 572011518 /nfs/dbraw/zinc/01/15/18/572011518.db2.gz QJDQSKMIJMCIHP-LLVKDONJSA-N 0 0 182.307 3.738 10 30 AHEERN CCC(=CC(=O)CC1CCCC1)CC ZINC000232864103 573071704 /nfs/dbraw/zinc/07/17/04/573071704.db2.gz SJOODWTUVYWDPY-UHFFFAOYSA-N 0 0 194.318 3.882 10 30 AHEERN CCCCCCCC(=O)[C@H]1CC1(C)C ZINC000232935178 572031049 /nfs/dbraw/zinc/03/10/49/572031049.db2.gz VKPFVZIFTIGWAI-LLVKDONJSA-N 0 0 196.334 3.962 10 30 AHEERN CCC[C@@H](C)C1=CC(=O)CC(C)(C)C1 ZINC000233273879 344699850 /nfs/dbraw/zinc/69/98/50/344699850.db2.gz NRDKGUFQDYHFAH-SNVBAGLBSA-N 0 0 194.318 3.738 10 30 AHEERN CCC[C@@H](C)[C@H](C#N)SC(C)(C)C ZINC000233282893 573896143 /nfs/dbraw/zinc/89/61/43/573896143.db2.gz QLOABWCDFJGHQW-ZJUUUORDSA-N 0 0 199.363 3.846 10 30 AHEERN CCC[C@H](C)C1=CC(=O)CC(C)(C)C1 ZINC000233327594 344700841 /nfs/dbraw/zinc/70/08/41/344700841.db2.gz NRDKGUFQDYHFAH-JTQLQIEISA-N 0 0 194.318 3.738 10 30 AHEERN CCC[C@H](C)[C@H](C#N)SC(C)(C)C ZINC000233341395 573202619 /nfs/dbraw/zinc/20/26/19/573202619.db2.gz QLOABWCDFJGHQW-UWVGGRQHSA-N 0 0 199.363 3.846 10 30 AHEERN CCC[C@H](C)[C@H](C#N)SCC(C)C ZINC000233341440 573200982 /nfs/dbraw/zinc/20/09/82/573200982.db2.gz HWGSDHVQOOUTCL-QWRGUYRKSA-N 0 0 199.363 3.704 10 30 AHEERN CCC[C@H](C)[C@H](C#N)S[C@@H](C)CC ZINC000233341458 573203912 /nfs/dbraw/zinc/20/39/12/573203912.db2.gz GPULLODSZOINIO-DCAQKATOSA-N 0 0 199.363 3.846 10 30 AHEERN CC[C@@H]1CCCC[C@H]1C(=O)C=C(C)C ZINC000233913170 571845256 /nfs/dbraw/zinc/84/52/56/571845256.db2.gz PCKYYKYVFADSGI-VXGBXAGGSA-N 0 0 194.318 3.738 10 30 AHEERN CC[C@@H]1CCCC[C@@H]1C(=O)C=C(C)C ZINC000233922480 571850751 /nfs/dbraw/zinc/85/07/51/571850751.db2.gz PCKYYKYVFADSGI-NEPJUHHUSA-N 0 0 194.318 3.738 10 30 AHEERN CC[C@@H](C)C(=O)C1=CCCCCCC1 ZINC000233968440 571936277 /nfs/dbraw/zinc/93/62/77/571936277.db2.gz NSCKTIHIZYVMIC-LLVKDONJSA-N 0 0 194.318 3.882 10 30 AHEERN CC[C@H](C)C(=O)C1=CCCCCCC1 ZINC000233979513 571953679 /nfs/dbraw/zinc/95/36/79/571953679.db2.gz NSCKTIHIZYVMIC-NSHDSACASA-N 0 0 194.318 3.882 10 30 AHEERN C=CCCCCCC(=O)[C@@H](C)CC ZINC000233979825 572079465 /nfs/dbraw/zinc/07/94/65/572079465.db2.gz ZHMFYECDIJLBMX-NSHDSACASA-N 0 0 182.307 3.738 10 30 AHEERN C=CCCCCC[C@@H](CC)C(C)=O ZINC000234011723 572080819 /nfs/dbraw/zinc/08/08/19/572080819.db2.gz NRLZUHKSQVCIIH-GFCCVEGCSA-N 0 0 182.307 3.738 10 30 AHEERN CC[C@H]1CCCC[C@@H]1C(=O)C=C(C)C ZINC000234042704 572090293 /nfs/dbraw/zinc/09/02/93/572090293.db2.gz PCKYYKYVFADSGI-RYUDHWBXSA-N 0 0 194.318 3.738 10 30 AHEERN C/C=C(/CC)C(=O)c1ccc(C)cc1 ZINC000234113466 572226106 /nfs/dbraw/zinc/22/61/06/572226106.db2.gz PXFVPFIWFSBNOI-WCIBSUBMSA-N 0 0 188.270 3.534 10 30 AHEERN C/C=C(/CC)C(=O)c1ccc(C)s1 ZINC000234113524 572224319 /nfs/dbraw/zinc/22/43/19/572224319.db2.gz SQGGDDAXQLFDIG-WTKPLQERSA-N 0 0 194.299 3.596 10 30 AHEERN C/C=C(/CC)C(=O)c1cccc(C)c1 ZINC000234114034 572224182 /nfs/dbraw/zinc/22/41/82/572224182.db2.gz WOGSHCFVSYMZIM-WCIBSUBMSA-N 0 0 188.270 3.534 10 30 AHEERN C/C=C(/CC)C(=O)c1ccccc1C ZINC000234114462 344713005 /nfs/dbraw/zinc/71/30/05/344713005.db2.gz QJKYEHQUJROCBO-WCIBSUBMSA-N 0 0 188.270 3.534 10 30 AHEERN C/C=C(/CC)C(=O)c1ccsc1C ZINC000234114895 572225967 /nfs/dbraw/zinc/22/59/67/572225967.db2.gz JQHHSOYQAFRQRV-WTKPLQERSA-N 0 0 194.299 3.596 10 30 AHEERN C/C=C(/CC)C(=O)c1sccc1C ZINC000234115366 572225393 /nfs/dbraw/zinc/22/53/93/572225393.db2.gz YPQNFITYEWPWTI-WTKPLQERSA-N 0 0 194.299 3.596 10 30 AHEERN C=CCCCCCC(=O)[C@@H](C)C1CC1 ZINC000235064757 572047475 /nfs/dbraw/zinc/04/74/75/572047475.db2.gz YILQYKIVAMOVMB-NSHDSACASA-N 0 0 194.318 3.738 10 30 AHEERN C=CCCCCC[C@@H](O)[C@@H](C)C1CC1 ZINC000235068163 572046422 /nfs/dbraw/zinc/04/64/22/572046422.db2.gz FVKYAMQCRYWIFA-WCQYABFASA-N 0 0 196.334 3.530 10 30 AHEERN C=CCCCCC[C@H](C)CC(C)=O ZINC000235085430 572488769 /nfs/dbraw/zinc/48/87/69/572488769.db2.gz MOLALMDVPLQBAG-NSHDSACASA-N 0 0 182.307 3.738 10 30 AHEERN C=C[C@@H](C)Nc1cc(Cl)ccc1C ZINC000235217928 344736237 /nfs/dbraw/zinc/73/62/37/344736237.db2.gz XFGVWHWVFIQMCF-SECBINFHSA-N 0 0 195.693 3.635 10 30 AHEERN C=C[C@@H](C)Nc1c(C)cccc1Cl ZINC000235231748 344736494 /nfs/dbraw/zinc/73/64/94/344736494.db2.gz NRTAENHBJSCPCU-SECBINFHSA-N 0 0 195.693 3.635 10 30 AHEERN C=CCCCCC[C@@H](C)C[C@@H](C)O ZINC000235233941 571697095 /nfs/dbraw/zinc/69/70/95/571697095.db2.gz HKBNWJWXUCTGGQ-VXGBXAGGSA-N 0 0 184.323 3.530 10 30 AHEERN C=CCCCCC[C@H](C)C[C@@H](C)O ZINC000235239420 571704340 /nfs/dbraw/zinc/70/43/40/571704340.db2.gz HKBNWJWXUCTGGQ-NWDGAFQWSA-N 0 0 184.323 3.530 10 30 AHEERN C=C[C@@H](C)Nc1ccc(C)c(Cl)c1 ZINC000235260962 344738493 /nfs/dbraw/zinc/73/84/93/344738493.db2.gz WPQRYZADOCXNQH-SECBINFHSA-N 0 0 195.693 3.635 10 30 AHEERN CC(C)=CC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000235265663 572819983 /nfs/dbraw/zinc/81/99/83/572819983.db2.gz VOAOBKBAKZUKHT-QWRGUYRKSA-N 0 0 194.318 3.594 10 30 AHEERN C=C[C@@H](C)Nc1cccc(Cl)c1C ZINC000235271066 344739408 /nfs/dbraw/zinc/73/94/08/344739408.db2.gz YWPWNWJRNDATBE-MRVPVSSYSA-N 0 0 195.693 3.635 10 30 AHEERN CC(C)=CC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000235274678 572635407 /nfs/dbraw/zinc/63/54/07/572635407.db2.gz UBZJRMCISXQQGB-GRYCIOLGSA-N 0 0 194.318 3.594 10 30 AHEERN C=C[C@@H](C)Nc1cc(C)ccc1Cl ZINC000235274937 344739994 /nfs/dbraw/zinc/73/99/94/344739994.db2.gz DXDBSVCVGYNDKI-SECBINFHSA-N 0 0 195.693 3.635 10 30 AHEERN C=CCCCCC[C@@H]1CCC(=O)[C@@H]1C ZINC000235289221 571724891 /nfs/dbraw/zinc/72/48/91/571724891.db2.gz XSUSUOUDTGSPSJ-VXGBXAGGSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCCCCC[C@H]1CCC(=O)[C@@H]1C ZINC000235317014 571765153 /nfs/dbraw/zinc/76/51/53/571765153.db2.gz XSUSUOUDTGSPSJ-NEPJUHHUSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(C)CCC(=O)C1=CC[C@H](C)CC1 ZINC000235377294 571857053 /nfs/dbraw/zinc/85/70/53/571857053.db2.gz FKKPFSDDBMIUHM-NSHDSACASA-N 0 0 192.302 3.658 10 30 AHEERN C=CCCCC(=O)C1=CC[C@H](C)CC1 ZINC000235377516 571856200 /nfs/dbraw/zinc/85/62/00/571856200.db2.gz QQMUNUPIUNCEJM-NSHDSACASA-N 0 0 192.302 3.658 10 30 AHEERN C=CCCCCCC(C)(C)C[C@@H](C)O ZINC000235382060 571860650 /nfs/dbraw/zinc/86/06/50/571860650.db2.gz ZTQFLOQYNLSUAX-GFCCVEGCSA-N 0 0 198.350 3.920 10 30 AHEERN C=CCCCCC[C@]1(C)CCC(=O)C1 ZINC000235390738 571866837 /nfs/dbraw/zinc/86/68/37/571866837.db2.gz HRLSWQSQERBOST-CYBMUJFWSA-N 0 0 194.318 3.882 10 30 AHEERN C=CCCCCC[C@]1(C)CC[C@@H](O)C1 ZINC000235391029 571866935 /nfs/dbraw/zinc/86/69/35/571866935.db2.gz HSBFCAAOENRWJG-CHWSQXEVSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCCCCC[C@]1(C)CC[C@H](O)C1 ZINC000235391154 571869052 /nfs/dbraw/zinc/86/90/52/571869052.db2.gz HSBFCAAOENRWJG-QWHCGFSZSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCCCCC[C@H](O)[C@H](C)C1CC1 ZINC000235415097 571889791 /nfs/dbraw/zinc/88/97/91/571889791.db2.gz FVKYAMQCRYWIFA-YPMHNXCESA-N 0 0 196.334 3.530 10 30 AHEERN C=CCCCCC[C@@H](O)[C@H](C)C1CC1 ZINC000235418969 571894441 /nfs/dbraw/zinc/89/44/41/571894441.db2.gz FVKYAMQCRYWIFA-DGCLKSJQSA-N 0 0 196.334 3.530 10 30 AHEERN C=CCCCCCC(=O)[C@H](C)C1CC1 ZINC000235427537 571904124 /nfs/dbraw/zinc/90/41/24/571904124.db2.gz YILQYKIVAMOVMB-LLVKDONJSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCC[C@@](C)(O)C1=CCCCCC1 ZINC000235428332 571902347 /nfs/dbraw/zinc/90/23/47/571902347.db2.gz UWWCIPPLJNVHSD-CYBMUJFWSA-N 0 0 194.318 3.594 10 30 AHEERN C=CCCCCC[C@@H](C)CC(C)=O ZINC000235440186 571904702 /nfs/dbraw/zinc/90/47/02/571904702.db2.gz MOLALMDVPLQBAG-LLVKDONJSA-N 0 0 182.307 3.738 10 30 AHEERN C=C[C@H](C)Nc1c(C)cccc1Cl ZINC000235524344 344752660 /nfs/dbraw/zinc/75/26/60/344752660.db2.gz NRTAENHBJSCPCU-VIFPVBQESA-N 0 0 195.693 3.635 10 30 AHEERN C=C[C@H](C)Nc1ccc(C)c(Cl)c1 ZINC000235534101 344753100 /nfs/dbraw/zinc/75/31/00/344753100.db2.gz WPQRYZADOCXNQH-VIFPVBQESA-N 0 0 195.693 3.635 10 30 AHEERN C=C[C@H](C)Nc1cc(C)ccc1Cl ZINC000235540387 344753419 /nfs/dbraw/zinc/75/34/19/344753419.db2.gz DXDBSVCVGYNDKI-VIFPVBQESA-N 0 0 195.693 3.635 10 30 AHEERN C=C[C@H](C)Nc1cccc(Cl)c1C ZINC000235546774 344753820 /nfs/dbraw/zinc/75/38/20/344753820.db2.gz YWPWNWJRNDATBE-QMMMGPOBSA-N 0 0 195.693 3.635 10 30 AHEERN C=C(C)CCC(=O)C1=CC[C@@H](C)CC1 ZINC000235547186 571982012 /nfs/dbraw/zinc/98/20/12/571982012.db2.gz FKKPFSDDBMIUHM-LLVKDONJSA-N 0 0 192.302 3.658 10 30 AHEERN C=CCCCC(=O)C1=CC[C@@H](C)CC1 ZINC000235547260 571982043 /nfs/dbraw/zinc/98/20/43/571982043.db2.gz QQMUNUPIUNCEJM-LLVKDONJSA-N 0 0 192.302 3.658 10 30 AHEERN C=C[C@H](C)Nc1cc(Cl)ccc1C ZINC000235559047 344755112 /nfs/dbraw/zinc/75/51/12/344755112.db2.gz XFGVWHWVFIQMCF-VIFPVBQESA-N 0 0 195.693 3.635 10 30 AHEERN CC(C)=CC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000235562673 573340417 /nfs/dbraw/zinc/34/04/17/573340417.db2.gz VOAOBKBAKZUKHT-GHMZBOCLSA-N 0 0 194.318 3.594 10 30 AHEERN C=CCCCCC[C@@H](C)C[C@H](C)O ZINC000235565119 571994102 /nfs/dbraw/zinc/99/41/02/571994102.db2.gz HKBNWJWXUCTGGQ-NEPJUHHUSA-N 0 0 184.323 3.530 10 30 AHEERN CC(C)=CC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000235568677 573348601 /nfs/dbraw/zinc/34/86/01/573348601.db2.gz UBZJRMCISXQQGB-SDDRHHMPSA-N 0 0 194.318 3.594 10 30 AHEERN C=CCCCCCC(C)(C)C[C@H](C)O ZINC000235584073 572030104 /nfs/dbraw/zinc/03/01/04/572030104.db2.gz ZTQFLOQYNLSUAX-LBPRGKRZSA-N 0 0 198.350 3.920 10 30 AHEERN C=CCCCCC[C@@H]1CC[C@@H](O)[C@@H]1C ZINC000235611349 572059764 /nfs/dbraw/zinc/05/97/64/572059764.db2.gz RCLVKEWNJIKKTJ-JHJVBQTASA-N 0 0 196.334 3.530 10 30 AHEERN C=CCCCCC[C@H]1CCC(=O)[C@H]1C ZINC000235612521 572061945 /nfs/dbraw/zinc/06/19/45/572061945.db2.gz XSUSUOUDTGSPSJ-RYUDHWBXSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCCCCC[C@@H]1CC[C@H](O)[C@@H]1C ZINC000235623785 572105537 /nfs/dbraw/zinc/10/55/37/572105537.db2.gz RCLVKEWNJIKKTJ-UPJWGTAASA-N 0 0 196.334 3.530 10 30 AHEERN C=CCCCCC[C@@H]1CCC(=O)[C@H]1C ZINC000235647773 572170488 /nfs/dbraw/zinc/17/04/88/572170488.db2.gz XSUSUOUDTGSPSJ-NWDGAFQWSA-N 0 0 194.318 3.738 10 30 AHEERN C=CCC[C@](C)(O)C1=CCCCCC1 ZINC000235724097 571802346 /nfs/dbraw/zinc/80/23/46/571802346.db2.gz UWWCIPPLJNVHSD-ZDUSSCGKSA-N 0 0 194.318 3.594 10 30 AHEERN C=CCCCCC[C@@]1(C)CCC(=O)C1 ZINC000235745475 571805799 /nfs/dbraw/zinc/80/57/99/571805799.db2.gz HRLSWQSQERBOST-ZDUSSCGKSA-N 0 0 194.318 3.882 10 30 AHEERN C=CCCCCC[C@@]1(C)CC[C@@H](O)C1 ZINC000235745659 571808386 /nfs/dbraw/zinc/80/83/86/571808386.db2.gz HSBFCAAOENRWJG-OLZOCXBDSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCCCCC[C@@]1(C)CC[C@H](O)C1 ZINC000235745775 571806018 /nfs/dbraw/zinc/80/60/18/571806018.db2.gz HSBFCAAOENRWJG-STQMWFEESA-N 0 0 196.334 3.674 10 30 AHEERN C=CCCc1ccc(C)cc1Cl ZINC000235750259 573264412 /nfs/dbraw/zinc/26/44/12/573264412.db2.gz VSVMKMZNDLLXTG-UHFFFAOYSA-N 0 0 180.678 3.767 10 30 AHEERN C=CC(=O)c1ccc(C)c2ccccc12 ZINC000235783423 344766344 /nfs/dbraw/zinc/76/63/44/344766344.db2.gz MPFANVCECJDZTJ-UHFFFAOYSA-N 0 0 196.249 3.517 10 30 AHEERN O=C(CC1CC1)C1=CCCCCCC1 ZINC000236384044 573597444 /nfs/dbraw/zinc/59/74/44/573597444.db2.gz WEGOVOQZLCCVAJ-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN O=C(C=C1CCCCC1)CC1CCC1 ZINC000236385182 573596398 /nfs/dbraw/zinc/59/63/98/573596398.db2.gz YHJHSPUXYPVBEP-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN O=C(C1=CCCC1)C1=CCCCCC1 ZINC000236393290 573595978 /nfs/dbraw/zinc/59/59/78/573595978.db2.gz XQYPOKYOZHRUHU-UHFFFAOYSA-N 0 0 190.286 3.556 10 30 AHEERN O=C(C1=CCCCCCC1)C1CCC1 ZINC000236396198 573605236 /nfs/dbraw/zinc/60/52/36/573605236.db2.gz NLDUROZFMZSJKN-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN O=C(CCC1CC1)C1=CCCCCC1 ZINC000236397101 572583644 /nfs/dbraw/zinc/58/36/44/572583644.db2.gz SLDJCAQEIKSCBL-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN O=C(C=C1CCCCC1)CCC1CC1 ZINC000236397161 572583357 /nfs/dbraw/zinc/58/33/57/572583357.db2.gz ASLHWICQTZDFDA-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN O=C(C=C1CCCCC1)C1CCCC1 ZINC000236405170 573618146 /nfs/dbraw/zinc/61/81/46/573618146.db2.gz OZOARGUZIBTIDJ-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN C=CCCCCCCC[C@H](O)C1CC1 ZINC000236513321 572803643 /nfs/dbraw/zinc/80/36/43/572803643.db2.gz IGHLABVUBPYCJT-ZDUSSCGKSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCCCCC[C@@H]1CCC[C@@H](O)C1 ZINC000236525925 572808656 /nfs/dbraw/zinc/80/86/56/572808656.db2.gz UVVXFJXFGDNBCE-CHWSQXEVSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCCCCCC1=C[C@H](O)CCC1 ZINC000236528709 572827751 /nfs/dbraw/zinc/82/77/51/572827751.db2.gz WBGJCWKMMFIUAQ-CYBMUJFWSA-N 0 0 194.318 3.594 10 30 AHEERN C=CCCCCC[C@@H]1CCCC[C@H]1O ZINC000236530904 572826992 /nfs/dbraw/zinc/82/69/92/572826992.db2.gz CTBMVSSKPNVHJJ-CHWSQXEVSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCCCCC[C@H](O)C1CCCC1 ZINC000236534171 572827518 /nfs/dbraw/zinc/82/75/18/572827518.db2.gz IBHOWGIYRDOZFV-ZDUSSCGKSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCCCCC[C@H](O)CC1CCC1 ZINC000236534529 572825073 /nfs/dbraw/zinc/82/50/73/572825073.db2.gz HGHAUCLFLCTHTP-ZDUSSCGKSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCCCCC[C@H]1CCC[C@@H](O)C1 ZINC000236537531 572826034 /nfs/dbraw/zinc/82/60/34/572826034.db2.gz UVVXFJXFGDNBCE-QWHCGFSZSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCCCCC[C@@H]1CCC[C@H](O)C1 ZINC000236545521 572830930 /nfs/dbraw/zinc/83/09/30/572830930.db2.gz UVVXFJXFGDNBCE-OLZOCXBDSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCCCCC[C@@H](O)C1CCCC1 ZINC000236547266 572830463 /nfs/dbraw/zinc/83/04/63/572830463.db2.gz IBHOWGIYRDOZFV-CYBMUJFWSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCCCCC[C@@H](O)CC1CCC1 ZINC000236547565 572830342 /nfs/dbraw/zinc/83/03/42/572830342.db2.gz HGHAUCLFLCTHTP-CYBMUJFWSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCCCCC[C@@H]1CCCC[C@@H]1O ZINC000236549228 572831255 /nfs/dbraw/zinc/83/12/55/572831255.db2.gz CTBMVSSKPNVHJJ-OLZOCXBDSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCCCCC[C@H]1CCCC[C@H]1O ZINC000236550793 572829675 /nfs/dbraw/zinc/82/96/75/572829675.db2.gz CTBMVSSKPNVHJJ-QWHCGFSZSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCCCCCCC[C@@H](O)C1CC1 ZINC000236550847 572829300 /nfs/dbraw/zinc/82/93/00/572829300.db2.gz IGHLABVUBPYCJT-CYBMUJFWSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCCCCC[C@H]1CCCC[C@@H]1O ZINC000236555690 572830771 /nfs/dbraw/zinc/83/07/71/572830771.db2.gz CTBMVSSKPNVHJJ-STQMWFEESA-N 0 0 196.334 3.674 10 30 AHEERN C=CCCCCC[C@H]1CCC[C@H](O)C1 ZINC000236563662 572836214 /nfs/dbraw/zinc/83/62/14/572836214.db2.gz UVVXFJXFGDNBCE-STQMWFEESA-N 0 0 196.334 3.674 10 30 AHEERN C/C=C/C(=O)[C@@]1(C)CC[C@@H](C(C)C)C1 ZINC000237995124 573700055 /nfs/dbraw/zinc/70/00/55/573700055.db2.gz ZECUKDCVDVHCMK-QJSMKMSWSA-N 0 0 194.318 3.594 10 30 AHEERN C/C=C/C(=O)[C@]1(C)CC[C@@H](C(C)C)C1 ZINC000237995415 573702394 /nfs/dbraw/zinc/70/23/94/573702394.db2.gz ZECUKDCVDVHCMK-ZFAUCMQBSA-N 0 0 194.318 3.594 10 30 AHEERN C=CCCCCC1CCSCC1 ZINC000238052325 572918108 /nfs/dbraw/zinc/91/81/08/572918108.db2.gz SAJBCIHCCYXUEW-UHFFFAOYSA-N 0 0 184.348 3.876 10 30 AHEERN C=CCCCC[C@@H]1CCCSC1 ZINC000238054019 572918897 /nfs/dbraw/zinc/91/88/97/572918897.db2.gz SYJAZMAETMWGAR-LLVKDONJSA-N 0 0 184.348 3.876 10 30 AHEERN C=CCCCC[C@H]1CCCSC1 ZINC000238054410 572919368 /nfs/dbraw/zinc/91/93/68/572919368.db2.gz SYJAZMAETMWGAR-NSHDSACASA-N 0 0 184.348 3.876 10 30 AHEERN C=C(CC1CCCCC1)N=[N+]=[N-] ZINC000238057074 573728431 /nfs/dbraw/zinc/72/84/31/573728431.db2.gz IIKBZCAJYJNLGF-UHFFFAOYSA-N 0 0 165.240 3.781 10 30 AHEERN C=C(C)C(C)(C)C(O)C(C)(C)C(=C)C ZINC000238069113 572918282 /nfs/dbraw/zinc/91/82/82/572918282.db2.gz HTLILIPBZXKCQU-UHFFFAOYSA-N 0 0 196.334 3.552 10 30 AHEERN C=C(C)C1(CCCC=O)CCCCC1 ZINC000238071632 572921042 /nfs/dbraw/zinc/92/10/42/572921042.db2.gz YFQRPIJMHQPIHE-UHFFFAOYSA-N 0 0 194.318 3.882 10 30 AHEERN C=C(C)C1=CCCC[C@@]1(C)CCC=O ZINC000238072816 572922652 /nfs/dbraw/zinc/92/26/52/572922652.db2.gz FVEBUMKAWUHFDD-ZDUSSCGKSA-N 0 0 192.302 3.658 10 30 AHEERN C=C(C)C1=CCCC[C@]1(C)CCC=O ZINC000238072871 572921475 /nfs/dbraw/zinc/92/14/75/572921475.db2.gz FVEBUMKAWUHFDD-CYBMUJFWSA-N 0 0 192.302 3.658 10 30 AHEERN C=CCNc1ccccc1-c1ccco1 ZINC000238075527 572921753 /nfs/dbraw/zinc/92/17/53/572921753.db2.gz QBJCAPZSLLEXJB-UHFFFAOYSA-N 0 0 199.253 3.545 10 30 AHEERN C=C[C@H](O)CC/C(C)=C\CCC(=C)C ZINC000238077524 572921221 /nfs/dbraw/zinc/92/12/21/572921221.db2.gz ASRRLYJGSUASCN-FSBNRTBOSA-N 0 0 194.318 3.616 10 30 AHEERN C=C[C@@H](O)CC/C(C)=C\CCC(=C)C ZINC000238077553 572922715 /nfs/dbraw/zinc/92/27/15/572922715.db2.gz ASRRLYJGSUASCN-LLBKUYECSA-N 0 0 194.318 3.616 10 30 AHEERN C=C(C)CCCCCC(C)(C)C=O ZINC000238080612 572921147 /nfs/dbraw/zinc/92/11/47/572921147.db2.gz JDNBWYJCAIUJDT-UHFFFAOYSA-N 0 0 182.307 3.738 10 30 AHEERN C=C(C)CCCCc1ccccc1O ZINC000238080763 572920801 /nfs/dbraw/zinc/92/08/01/572920801.db2.gz CYDLWSNFAWCWGA-UHFFFAOYSA-N 0 0 190.286 3.681 10 30 AHEERN C=C(C)CC[C@@H]1CCCC[C@@]1(C)C=O ZINC000238084177 572916683 /nfs/dbraw/zinc/91/66/83/572916683.db2.gz CENHQSMPIBWPNY-STQMWFEESA-N 0 0 194.318 3.738 10 30 AHEERN C=C(C)CC[C@@H]1CCCC[C@]1(C)C=O ZINC000238084212 572916034 /nfs/dbraw/zinc/91/60/34/572916034.db2.gz CENHQSMPIBWPNY-QWHCGFSZSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(C)CC[C@H]1CCCC[C@@]1(C)C=O ZINC000238085777 572924823 /nfs/dbraw/zinc/92/48/23/572924823.db2.gz CENHQSMPIBWPNY-OLZOCXBDSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(C)CC/C=C/CC[C@H](O)C(=C)C ZINC000238086601 572924279 /nfs/dbraw/zinc/92/42/79/572924279.db2.gz BDXOWDMRLJYNQC-GFUIURDCSA-N 0 0 194.318 3.616 10 30 AHEERN C=C1C[C@@H](C(C)(C)C)CC[C@@]1(C)C=O ZINC000238093463 573767103 /nfs/dbraw/zinc/76/71/03/573767103.db2.gz WDUGDPWLAZTJJK-AAEUAGOBSA-N 0 0 194.318 3.594 10 30 AHEERN CC(C)(C)[C@H]1C/C=C/CC[C@@H](C=O)C1 ZINC000238097829 573757498 /nfs/dbraw/zinc/75/74/98/573757498.db2.gz VXLCDBHUUIUQHK-XCOQAZTISA-N 0 0 194.318 3.594 10 30 AHEERN CC(C)(S)c1cccc(Cl)c1 ZINC000238098321 573755893 /nfs/dbraw/zinc/75/58/93/573755893.db2.gz RXCQBSLOYZWRLW-UHFFFAOYSA-N 0 0 186.707 3.505 10 30 AHEERN C=C[C@@H](Nc1ccccc1)c1ccco1 ZINC000238106012 572932669 /nfs/dbraw/zinc/93/26/69/572932669.db2.gz MJVWFSOVMWMWEP-GFCCVEGCSA-N 0 0 199.253 3.619 10 30 AHEERN C=C(C)Cc1c(O)ccc2ccccc21 ZINC000238106358 572934320 /nfs/dbraw/zinc/93/43/20/572934320.db2.gz JDVCXIKTICCKSA-UHFFFAOYSA-N 0 0 198.265 3.664 10 30 AHEERN C=C[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000238108008 572930144 /nfs/dbraw/zinc/93/01/44/572930144.db2.gz CMAWPMQFMPJVTF-SNVBAGLBSA-N 0 0 197.281 3.774 10 30 AHEERN C=CCC(C)(C)CNc1ccccc1 ZINC000238109033 572931192 /nfs/dbraw/zinc/93/11/92/572931192.db2.gz PPFSXZLPTKTTBG-UHFFFAOYSA-N 0 0 189.302 3.701 10 30 AHEERN C=C(C)C(C)(C)[C@H](O)CC(C)=C(C)C ZINC000238111737 572937141 /nfs/dbraw/zinc/93/71/41/572937141.db2.gz HCFZYLDKEMFOCF-GFCCVEGCSA-N 0 0 196.334 3.696 10 30 AHEERN C=C(C)C(C)(C)[C@@H](O)CC(C)=C(C)C ZINC000238111935 572937597 /nfs/dbraw/zinc/93/75/97/572937597.db2.gz HCFZYLDKEMFOCF-LBPRGKRZSA-N 0 0 196.334 3.696 10 30 AHEERN C=CC[C@@H](C=O)[Si](C)(C)C(C)(C)C ZINC000238113850 571990504 /nfs/dbraw/zinc/99/05/04/571990504.db2.gz FWXHZVCZDIWCHM-JTQLQIEISA-N 0 0 198.382 3.640 10 30 AHEERN C=CC[C@H](C=O)[Si](C)(C)C(C)(C)C ZINC000238114160 572938323 /nfs/dbraw/zinc/93/83/23/572938323.db2.gz FWXHZVCZDIWCHM-SNVBAGLBSA-N 0 0 198.382 3.640 10 30 AHEERN CC(C)(C)C#Cc1c[nH]c2ccccc12 ZINC000238117747 572934845 /nfs/dbraw/zinc/93/48/45/572934845.db2.gz KNXYANKOWBKNGU-UHFFFAOYSA-N 0 0 197.281 3.566 10 30 AHEERN C=C(CC(C)C)C(O)C(=C)CC(C)C ZINC000238118547 572935784 /nfs/dbraw/zinc/93/57/84/572935784.db2.gz QKLYBNMCZIKLLK-UHFFFAOYSA-N 0 0 196.334 3.552 10 30 AHEERN C=C(C)[C@@H]1CC=C(C)[C@@H](CCC=O)C1 ZINC000238119914 572935567 /nfs/dbraw/zinc/93/55/67/572935567.db2.gz YHJLZXDKUSZNAC-OLZOCXBDSA-N 0 0 192.302 3.514 10 30 AHEERN C=C[C@H](Nc1ccccc1)c1ccco1 ZINC000238119924 572935967 /nfs/dbraw/zinc/93/59/67/572935967.db2.gz MJVWFSOVMWMWEP-LBPRGKRZSA-N 0 0 199.253 3.619 10 30 AHEERN C=C(C)[C@@H]1CC=C(C)[C@H](CCC=O)C1 ZINC000238120340 572935581 /nfs/dbraw/zinc/93/55/81/572935581.db2.gz YHJLZXDKUSZNAC-CHWSQXEVSA-N 0 0 192.302 3.514 10 30 AHEERN C=C[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000238121680 572936255 /nfs/dbraw/zinc/93/62/55/572936255.db2.gz CMAWPMQFMPJVTF-JTQLQIEISA-N 0 0 197.281 3.774 10 30 AHEERN C=C(C)[C@@H]1CCC(C)=C(N=[N+]=[N-])C1 ZINC000238121955 573810755 /nfs/dbraw/zinc/81/07/55/573810755.db2.gz VSHAAIUIENSJFQ-SECBINFHSA-N 0 0 177.251 3.947 10 30 AHEERN C=C(CO)CC/C=C/CCCC(C)C ZINC000238137863 572940565 /nfs/dbraw/zinc/94/05/65/572940565.db2.gz MYYZOKWVZBXCKD-GQCTYLIASA-N 0 0 196.334 3.698 10 30 AHEERN C=C(C)CC/C=C(\C)[C@@H](O)CC(C)C ZINC000238140359 572939840 /nfs/dbraw/zinc/93/98/40/572939840.db2.gz NSUFNPXSGLROHG-RPHSKFLZSA-N 0 0 196.334 3.696 10 30 AHEERN C=C/C=C/CCCCC[C@@H](O)C(=C)C ZINC000238140836 572944372 /nfs/dbraw/zinc/94/43/72/572944372.db2.gz OPQXMRFYDYXHQA-URWSZGRFSA-N 0 0 194.318 3.616 10 30 AHEERN CC(C)(C)c1cccc(C2(C#N)CC2)c1 ZINC000238141313 572942088 /nfs/dbraw/zinc/94/20/88/572942088.db2.gz WOCMGAHYEGOQGY-UHFFFAOYSA-N 0 0 199.297 3.539 10 30 AHEERN C=C(C)[C@H](O)/C(C)=C\CCC=C(C)C ZINC000238141593 572943948 /nfs/dbraw/zinc/94/39/48/572943948.db2.gz USGCYBTYQDYQGN-SUIFULHWSA-N 0 0 194.318 3.616 10 30 AHEERN C=C(C)[C@@H](O)/C(C)=C\CCC=C(C)C ZINC000238141624 572947353 /nfs/dbraw/zinc/94/73/53/572947353.db2.gz USGCYBTYQDYQGN-KIWPFMIBSA-N 0 0 194.318 3.616 10 30 AHEERN C=C(C)[C@H](O)/C=C(\C)CCC=C(C)C ZINC000238142578 572948719 /nfs/dbraw/zinc/94/87/19/572948719.db2.gz WNVPXSHJSOCUPI-CNELAYHGSA-N 0 0 194.318 3.616 10 30 AHEERN C=C(C)[C@@H](O)/C=C(\C)CCC=C(C)C ZINC000238142651 572948836 /nfs/dbraw/zinc/94/88/36/572948836.db2.gz WNVPXSHJSOCUPI-SRXBQZRASA-N 0 0 194.318 3.616 10 30 AHEERN CC(C)=CCCC(C)(C)CCC=O ZINC000238143386 572949973 /nfs/dbraw/zinc/94/99/73/572949973.db2.gz RRHYNEHPHWFBJG-UHFFFAOYSA-N 0 0 182.307 3.738 10 30 AHEERN C=C[C@H](O)CC(C)(C)CCC=C(C)C ZINC000238143435 572951300 /nfs/dbraw/zinc/95/13/00/572951300.db2.gz SBJJZUZIMYEUAM-LBPRGKRZSA-N 0 0 196.334 3.696 10 30 AHEERN C=C(C/C=C/CCCO)CC(C)(C)C ZINC000238143449 572950897 /nfs/dbraw/zinc/95/08/97/572950897.db2.gz OIPUAASWGDQMIG-FNORWQNLSA-N 0 0 196.334 3.698 10 30 AHEERN C=C[C@@H](O)CC(C)(C)CCC=C(C)C ZINC000238143461 572950413 /nfs/dbraw/zinc/95/04/13/572950413.db2.gz SBJJZUZIMYEUAM-GFCCVEGCSA-N 0 0 196.334 3.696 10 30 AHEERN C=C(C)[C@H]1CC=C(C)[C@@H](CCC=O)C1 ZINC000238143659 572950178 /nfs/dbraw/zinc/95/01/78/572950178.db2.gz YHJLZXDKUSZNAC-STQMWFEESA-N 0 0 192.302 3.514 10 30 AHEERN C=C(C)[C@H]1CC=C(C)[C@H](CCC=O)C1 ZINC000238143949 572952117 /nfs/dbraw/zinc/95/21/17/572952117.db2.gz YHJLZXDKUSZNAC-QWHCGFSZSA-N 0 0 192.302 3.514 10 30 AHEERN C=CC(C)(C)[C@H](O)CCCC=C(C)C ZINC000238144999 572953868 /nfs/dbraw/zinc/95/38/68/572953868.db2.gz FTGRDGCMSNVTHE-GFCCVEGCSA-N 0 0 196.334 3.696 10 30 AHEERN C=CC(C)(C)[C@@H](O)CCCC=C(C)C ZINC000238145203 572954401 /nfs/dbraw/zinc/95/44/01/572954401.db2.gz FTGRDGCMSNVTHE-LBPRGKRZSA-N 0 0 196.334 3.696 10 30 AHEERN C=C[C@H](O)CC[C@H](C)CCCC(C)C ZINC000238145820 572950982 /nfs/dbraw/zinc/95/09/82/572950982.db2.gz HVJQQSUOSQLNLD-OLZOCXBDSA-N 0 0 198.350 3.776 10 30 AHEERN C=C[C@@H](O)CC[C@H](C)CCCC(C)C ZINC000238145867 572950428 /nfs/dbraw/zinc/95/04/28/572950428.db2.gz HVJQQSUOSQLNLD-CHWSQXEVSA-N 0 0 198.350 3.776 10 30 AHEERN C=CC[C@H](O)C[C@H](C)CCCC(C)C ZINC000238145981 572950059 /nfs/dbraw/zinc/95/00/59/572950059.db2.gz MFHLNQRZDSWRCE-OLZOCXBDSA-N 0 0 198.350 3.776 10 30 AHEERN C=CC[C@@H](O)C[C@H](C)CCCC(C)C ZINC000238146060 572950957 /nfs/dbraw/zinc/95/09/57/572950957.db2.gz MFHLNQRZDSWRCE-CHWSQXEVSA-N 0 0 198.350 3.776 10 30 AHEERN CC(C)=CCC[C@@H]1CCC[C@@H](C=O)C1 ZINC000238146859 572954663 /nfs/dbraw/zinc/95/46/63/572954663.db2.gz KDKUVGPCWITBBU-CHWSQXEVSA-N 0 0 194.318 3.738 10 30 AHEERN CC(C)=CCC[C@@H]1CCC[C@H](C=O)C1 ZINC000238146952 572955070 /nfs/dbraw/zinc/95/50/70/572955070.db2.gz KDKUVGPCWITBBU-OLZOCXBDSA-N 0 0 194.318 3.738 10 30 AHEERN CC(C)CCC[C@@H](C)[C@@H](C)CC=O ZINC000238147219 572955080 /nfs/dbraw/zinc/95/50/80/572955080.db2.gz LSMXPLPOBQJOQK-NEPJUHHUSA-N 0 0 184.323 3.674 10 30 AHEERN C=C[C@@](C)(CCC=C(C)C)CCCO ZINC000238147366 572954231 /nfs/dbraw/zinc/95/42/31/572954231.db2.gz TYTWAHODDWRDNN-ZDUSSCGKSA-N 0 0 196.334 3.698 10 30 AHEERN CC(C)CCC[C@@H](C)[C@H](C)CC=O ZINC000238147369 572955001 /nfs/dbraw/zinc/95/50/01/572955001.db2.gz LSMXPLPOBQJOQK-VXGBXAGGSA-N 0 0 184.323 3.674 10 30 AHEERN C=C[C@H](O)CC[C@@H](C)CCCC(C)C ZINC000238149100 572956343 /nfs/dbraw/zinc/95/63/43/572956343.db2.gz HVJQQSUOSQLNLD-STQMWFEESA-N 0 0 198.350 3.776 10 30 AHEERN C=C[C@@H](O)CC[C@@H](C)CCCC(C)C ZINC000238149153 572956567 /nfs/dbraw/zinc/95/65/67/572956567.db2.gz HVJQQSUOSQLNLD-QWHCGFSZSA-N 0 0 198.350 3.776 10 30 AHEERN C=CC[C@H](O)C[C@@H](C)CCCC(C)C ZINC000238149240 572955490 /nfs/dbraw/zinc/95/54/90/572955490.db2.gz MFHLNQRZDSWRCE-STQMWFEESA-N 0 0 198.350 3.776 10 30 AHEERN CC(C)=CCC[C@H]1CCC[C@@H](C=O)C1 ZINC000238149279 572956615 /nfs/dbraw/zinc/95/66/15/572956615.db2.gz KDKUVGPCWITBBU-QWHCGFSZSA-N 0 0 194.318 3.738 10 30 AHEERN C=CC[C@@H](O)C[C@@H](C)CCCC(C)C ZINC000238149320 572956225 /nfs/dbraw/zinc/95/62/25/572956225.db2.gz MFHLNQRZDSWRCE-QWHCGFSZSA-N 0 0 198.350 3.776 10 30 AHEERN CC(C)=CCC[C@H]1CCC[C@H](C=O)C1 ZINC000238149343 572955991 /nfs/dbraw/zinc/95/59/91/572955991.db2.gz KDKUVGPCWITBBU-STQMWFEESA-N 0 0 194.318 3.738 10 30 AHEERN C=C[C@](C)(CCC=C(C)C)CCCO ZINC000238149719 572955330 /nfs/dbraw/zinc/95/53/30/572955330.db2.gz TYTWAHODDWRDNN-CYBMUJFWSA-N 0 0 196.334 3.698 10 30 AHEERN CC(C)CCC[C@H](C)[C@@H](C)CC=O ZINC000238150293 572956617 /nfs/dbraw/zinc/95/66/17/572956617.db2.gz LSMXPLPOBQJOQK-RYUDHWBXSA-N 0 0 184.323 3.674 10 30 AHEERN CC(C)CCC[C@H](C)[C@H](C)CC=O ZINC000238150400 572955454 /nfs/dbraw/zinc/95/54/54/572955454.db2.gz LSMXPLPOBQJOQK-NWDGAFQWSA-N 0 0 184.323 3.674 10 30 AHEERN C=C(C)CC/C=C(\C)[C@H](O)CC(C)C ZINC000238150426 572955511 /nfs/dbraw/zinc/95/55/11/572955511.db2.gz NSUFNPXSGLROHG-YQCJOKCJSA-N 0 0 196.334 3.696 10 30 AHEERN CC(C)(C)[C@@H]1CC=CCC[C@@H](C=O)C1 ZINC000238151044 572956110 /nfs/dbraw/zinc/95/61/10/572956110.db2.gz VXLCDBHUUIUQHK-VXGBXAGGSA-N 0 0 194.318 3.594 10 30 AHEERN CC(C)(C)[C@@H]1C/C=C/CC[C@@H](C=O)C1 ZINC000238151068 573850151 /nfs/dbraw/zinc/85/01/51/573850151.db2.gz VXLCDBHUUIUQHK-WBIIUDBISA-N 0 0 194.318 3.594 10 30 AHEERN C=C1CC[C@@H](C(C)(C)C)C[C@]1(C)C=O ZINC000238151639 573850208 /nfs/dbraw/zinc/85/02/08/573850208.db2.gz LFTHXSOVBYGZCB-DGCLKSJQSA-N 0 0 194.318 3.594 10 30 AHEERN C=C1CC[C@@H](C(C)(C)C)C[C@@]1(C)C=O ZINC000238151719 573851561 /nfs/dbraw/zinc/85/15/61/573851561.db2.gz LFTHXSOVBYGZCB-YPMHNXCESA-N 0 0 194.318 3.594 10 30 AHEERN C=CC(C)(C)/C(Cl)=C/Cl ZINC000238153040 573848580 /nfs/dbraw/zinc/84/85/80/573848580.db2.gz FMAXWCJVYVMVGM-WAYWQWQTSA-N 0 0 165.063 3.518 10 30 AHEERN C=C(C)[C@]1(CCC=O)CCCC1(C)C ZINC000238154076 572955855 /nfs/dbraw/zinc/95/58/55/572955855.db2.gz KIHUNPJNFOPPPE-CYBMUJFWSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(C)[C@]1(CCCO)CCCC1(C)C ZINC000238154103 572955306 /nfs/dbraw/zinc/95/53/06/572955306.db2.gz IFWZFHZNSUWVFK-CYBMUJFWSA-N 0 0 196.334 3.532 10 30 AHEERN C=C1C[C@H](C(C)(C)C)CC[C@@]1(C)C=O ZINC000238155008 573833869 /nfs/dbraw/zinc/83/38/69/573833869.db2.gz WDUGDPWLAZTJJK-YPMHNXCESA-N 0 0 194.318 3.594 10 30 AHEERN C=C1C[C@H](C(C)(C)C)CC[C@]1(C)C=O ZINC000238155812 573834893 /nfs/dbraw/zinc/83/48/93/573834893.db2.gz WDUGDPWLAZTJJK-DGCLKSJQSA-N 0 0 194.318 3.594 10 30 AHEERN C=C(C)/C=C/c1cccc2[nH]ccc21 ZINC000238155869 573834404 /nfs/dbraw/zinc/83/44/04/573834404.db2.gz YSFOEIWMNUWPCJ-VOTSOKGWSA-N 0 0 183.254 3.757 10 30 AHEERN C=C(C)c1c(C=O)ccc2ccccc21 ZINC000238156246 573833944 /nfs/dbraw/zinc/83/39/44/573833944.db2.gz IEUBGFJFHDHIQG-UHFFFAOYSA-N 0 0 196.249 3.685 10 30 AHEERN C=C(C)c1cc(C(=C)C)c(N)cc1C ZINC000238156753 573838579 /nfs/dbraw/zinc/83/85/79/573838579.db2.gz GJLUSCRLAXESJX-UHFFFAOYSA-N 0 0 187.286 3.643 10 30 AHEERN C=C[C@H](C)c1cc(C(C)C)ccc1O ZINC000238158228 573839284 /nfs/dbraw/zinc/83/92/84/573839284.db2.gz FDOSRVBKCXTOFX-JTQLQIEISA-N 0 0 190.286 3.805 10 30 AHEERN C=C[C@@H](C)c1cc(C(C)C)ccc1O ZINC000238158512 573834093 /nfs/dbraw/zinc/83/40/93/573834093.db2.gz FDOSRVBKCXTOFX-SNVBAGLBSA-N 0 0 190.286 3.805 10 30 AHEERN C=C(C)c1cc2c(C)coc2c(F)c1 ZINC000238160589 573846218 /nfs/dbraw/zinc/84/62/18/573846218.db2.gz LCCBNUKDIMPROE-UHFFFAOYSA-N 0 0 190.217 3.913 10 30 AHEERN C=C(C)c1cc2ccoc2c(F)c1 ZINC000238160627 573846211 /nfs/dbraw/zinc/84/62/11/573846211.db2.gz NPGHAJVLTTUDHH-UHFFFAOYSA-N 0 0 176.190 3.605 10 30 AHEERN C=C(C)c1ccc2occ(C)c2c1 ZINC000238161243 573845717 /nfs/dbraw/zinc/84/57/17/573845717.db2.gz KWOPXMDLPPUFOL-UHFFFAOYSA-N 0 0 172.227 3.774 10 30 AHEERN CC(C)c1cccc(C(C)(C)C#N)c1 ZINC000238161742 573870429 /nfs/dbraw/zinc/87/04/29/573870429.db2.gz XUGCVTQNQGMIJR-UHFFFAOYSA-N 0 0 187.286 3.611 10 30 AHEERN CC(C)(C=O)CC=C1CCCCCC1 ZINC000238164640 573871491 /nfs/dbraw/zinc/87/14/91/573871491.db2.gz FXPQRNKXRBATQV-UHFFFAOYSA-N 0 0 194.318 3.882 10 30 AHEERN CC(C)c1ccccc1C1(C#N)CCC1 ZINC000238166599 572960608 /nfs/dbraw/zinc/96/06/08/572960608.db2.gz UHPCMVJTYIKZHL-UHFFFAOYSA-N 0 0 199.297 3.755 10 30 AHEERN CC(C)C[C@H](C)C[C@@H](C)C[C@@H](C)C=O ZINC000238173463 572964667 /nfs/dbraw/zinc/96/46/67/572964667.db2.gz GIISEZPBYIWLEW-YNEHKIRRSA-N 0 0 198.350 3.920 10 30 AHEERN CC(C)C[C@H](C)C[C@H](C)C[C@@H](C)C=O ZINC000238173591 572963686 /nfs/dbraw/zinc/96/36/86/572963686.db2.gz GIISEZPBYIWLEW-RWMBFGLXSA-N 0 0 198.350 3.920 10 30 AHEERN C=C[C@H](CC(C)C)c1ccccc1O ZINC000238174076 572966119 /nfs/dbraw/zinc/96/61/19/572966119.db2.gz XTCVTUIHOVYBAO-LLVKDONJSA-N 0 0 190.286 3.708 10 30 AHEERN C=CC[C@@H]1C=C(C)Nc2ccccc21 ZINC000238176168 573879607 /nfs/dbraw/zinc/87/96/07/573879607.db2.gz VHVRPIKPTFCFNL-LLVKDONJSA-N 0 0 185.270 3.676 10 30 AHEERN CC(C)=Nc1c(C)[nH]c2ccccc21 ZINC000238179173 573885470 /nfs/dbraw/zinc/88/54/70/573885470.db2.gz SUMNBQPUSOUGGI-UHFFFAOYSA-N 0 0 186.258 3.589 10 30 AHEERN CC1CCC2(CCC(=NO)CC2)CC1 ZINC000238180141 573886976 /nfs/dbraw/zinc/88/69/76/573886976.db2.gz BANZKDFAIVHQSU-UHFFFAOYSA-N 0 0 195.306 3.587 10 30 AHEERN C=C[C@@H](CC(C)C)c1ccccc1O ZINC000238180479 572969362 /nfs/dbraw/zinc/96/93/62/572969362.db2.gz XTCVTUIHOVYBAO-NSHDSACASA-N 0 0 190.286 3.708 10 30 AHEERN CC(C)(C)[C@H]1CC=CCC[C@@H](C=O)C1 ZINC000238182590 572969420 /nfs/dbraw/zinc/96/94/20/572969420.db2.gz VXLCDBHUUIUQHK-NEPJUHHUSA-N 0 0 194.318 3.594 10 30 AHEERN C=C1CC[C@H](C(C)(C)C)C[C@]1(C)C=O ZINC000238182987 573913680 /nfs/dbraw/zinc/91/36/80/573913680.db2.gz LFTHXSOVBYGZCB-WCQYABFASA-N 0 0 194.318 3.594 10 30 AHEERN C=C1CC[C@H](C(C)(C)C)C[C@@]1(C)C=O ZINC000238183053 573912114 /nfs/dbraw/zinc/91/21/14/573912114.db2.gz LFTHXSOVBYGZCB-AAEUAGOBSA-N 0 0 194.318 3.594 10 30 AHEERN C=C(c1c[nH]c2ccccc12)C(C)C ZINC000238184975 573915473 /nfs/dbraw/zinc/91/54/73/573915473.db2.gz RRBHMRWLQALJSX-UHFFFAOYSA-N 0 0 185.270 3.837 10 30 AHEERN CCCCCC/C=C(/C)C[C@@H](C)O ZINC000238187143 572975908 /nfs/dbraw/zinc/97/59/08/572975908.db2.gz DZRMLFYIQQFQIH-UCQJPZFISA-N 0 0 184.323 3.674 10 30 AHEERN CCCCCC/C=C(/C)C[C@H](C)O ZINC000238187169 572976083 /nfs/dbraw/zinc/97/60/83/572976083.db2.gz DZRMLFYIQQFQIH-MMRAYRKESA-N 0 0 184.323 3.674 10 30 AHEERN C=C/C(=C\CCCCCC)CCCO ZINC000238187255 572976590 /nfs/dbraw/zinc/97/65/90/572976590.db2.gz VUUPYIQLGIXTLI-JLHYYAGUSA-N 0 0 196.334 3.842 10 30 AHEERN C=C(C)C/C(=C\CCCCCC)CO ZINC000238187317 572976359 /nfs/dbraw/zinc/97/63/59/572976359.db2.gz URWKAWIZKJLILR-UKTHLTGXSA-N 0 0 196.334 3.842 10 30 AHEERN C=C[C@H](C)/C(=C\CCCCCC)CO ZINC000238187406 572976342 /nfs/dbraw/zinc/97/63/42/572976342.db2.gz CCRSRWOXQYLJQJ-IXJPEXDMSA-N 0 0 196.334 3.698 10 30 AHEERN C=C[C@@H](C)/C(=C\CCCCCC)CO ZINC000238187419 572975938 /nfs/dbraw/zinc/97/59/38/572975938.db2.gz CCRSRWOXQYLJQJ-YGYTWAPGSA-N 0 0 196.334 3.698 10 30 AHEERN CCCCCC/C=C/C(C)(C)CO ZINC000238187615 572975803 /nfs/dbraw/zinc/97/58/03/572975803.db2.gz CPOQHBQQGWJFTL-MDZDMXLPSA-N 0 0 184.323 3.532 10 30 AHEERN CCCCCC/C=C/C1([C@@H](C)O)CC1 ZINC000238187674 572976104 /nfs/dbraw/zinc/97/61/04/572976104.db2.gz HHQQFPRNXNXDHM-IDVQTMNDSA-N 0 0 196.334 3.674 10 30 AHEERN CCCCCC/C=C/C1([C@H](C)O)CC1 ZINC000238187689 572975444 /nfs/dbraw/zinc/97/54/44/572975444.db2.gz HHQQFPRNXNXDHM-BCPZQOPPSA-N 0 0 196.334 3.674 10 30 AHEERN CCCCCC/C=C/C=C/[C@@H](O)CC ZINC000238187717 572976039 /nfs/dbraw/zinc/97/60/39/572976039.db2.gz BXMXJDRBOFWJMK-HJGOFVOESA-N 0 0 196.334 3.840 10 30 AHEERN CCCCCC/C=C/C=C/[C@H](O)CC ZINC000238187736 573925706 /nfs/dbraw/zinc/92/57/06/573925706.db2.gz BXMXJDRBOFWJMK-WKOVGYJXSA-N 0 0 196.334 3.840 10 30 AHEERN CCCCCC/C=C/C[C@@H](O)C(C)C ZINC000238187830 572975967 /nfs/dbraw/zinc/97/59/67/572975967.db2.gz JGSACWHZCAJBNN-WTNCMQEWSA-N 0 0 198.350 3.920 10 30 AHEERN CCCCCC/C=C/C[C@H](O)C(C)C ZINC000238187923 572976126 /nfs/dbraw/zinc/97/61/26/572976126.db2.gz JGSACWHZCAJBNN-LXKVQUBZSA-N 0 0 198.350 3.920 10 30 AHEERN CCCC/C=C/C[C@@H](C)CCC=O ZINC000238191158 572977184 /nfs/dbraw/zinc/97/71/84/572977184.db2.gz WYXUSKCICXXMLE-NNNHXZLVSA-N 0 0 182.307 3.738 10 30 AHEERN CCCC/C=C/C[C@H](C)CCC=O ZINC000238191467 572979540 /nfs/dbraw/zinc/97/95/40/572979540.db2.gz WYXUSKCICXXMLE-SYTKJHMZSA-N 0 0 182.307 3.738 10 30 AHEERN CCCCCC=C=CC(C)(C)C=O ZINC000238191602 572979092 /nfs/dbraw/zinc/97/90/92/572979092.db2.gz BWEFWMMMNAULFH-UHFFFAOYSA-N 0 0 180.291 3.503 10 30 AHEERN CCCCCCC#CC(F)(F)F ZINC000238192259 572977557 /nfs/dbraw/zinc/97/75/57/572977557.db2.gz MBJNVNNWANDMHW-UHFFFAOYSA-N 0 0 178.197 3.523 10 30 AHEERN CCCCCCC#CCCCCC=O ZINC000238192440 572977353 /nfs/dbraw/zinc/97/73/53/572977353.db2.gz YBHNTOBNRNUMLY-UHFFFAOYSA-N 0 0 194.318 3.720 10 30 AHEERN CCC(/C=C(/C)C[C@H](C=O)CC)CC ZINC000238193493 572979066 /nfs/dbraw/zinc/97/90/66/572979066.db2.gz VNNXBCIKAQCRFK-BIRHUZIMSA-N 0 0 196.334 3.984 10 30 AHEERN CCC(/C=C(/C)C[C@@H](C=O)CC)CC ZINC000238193511 572978779 /nfs/dbraw/zinc/97/87/79/572978779.db2.gz VNNXBCIKAQCRFK-ZWXCPPHNSA-N 0 0 196.334 3.984 10 30 AHEERN C=C(CCCCCC)C/C(C)=C/CO ZINC000238194663 572978418 /nfs/dbraw/zinc/97/84/18/572978418.db2.gz URFLEHPAPGZUSG-UKTHLTGXSA-N 0 0 196.334 3.842 10 30 AHEERN C=CCC[C@H](O)C(=C)CCCCCC ZINC000238194984 572978681 /nfs/dbraw/zinc/97/86/81/572978681.db2.gz QJZCWVSRTAEQDI-ZDUSSCGKSA-N 0 0 196.334 3.840 10 30 AHEERN C=CCC[C@@H](O)C(=C)CCCCCC ZINC000238195046 572979401 /nfs/dbraw/zinc/97/94/01/572979401.db2.gz QJZCWVSRTAEQDI-CYBMUJFWSA-N 0 0 196.334 3.840 10 30 AHEERN C=CCCC(C=O)(CC)CCC=C ZINC000238197657 572326164 /nfs/dbraw/zinc/32/61/64/572326164.db2.gz GCWCAKABTWASTF-UHFFFAOYSA-N 0 0 180.291 3.514 10 30 AHEERN C=CC/C(CO)=C(/C)CCCCCC ZINC000238198224 573422987 /nfs/dbraw/zinc/42/29/87/573422987.db2.gz BZTGKVCJMRHPGO-OUKQBFOZSA-N 0 0 196.334 3.842 10 30 AHEERN CC(CC(C)(C)C=O)=C1CCCCC1 ZINC000238200093 573929836 /nfs/dbraw/zinc/92/98/36/573929836.db2.gz QDHGTZFYDPHYSE-UHFFFAOYSA-N 0 0 194.318 3.882 10 30 AHEERN C=CC(CC)(CC)c1ccccc1N ZINC000238203336 572330328 /nfs/dbraw/zinc/33/03/28/572330328.db2.gz RRYLMLSCYXAXBQ-UHFFFAOYSA-N 0 0 189.302 3.513 10 30 AHEERN CCCCCCCC(C)(C)CC=O ZINC000238203373 572331497 /nfs/dbraw/zinc/33/14/97/572331497.db2.gz BRSFHAMTLAKFNQ-UHFFFAOYSA-N 0 0 184.323 3.962 10 30 AHEERN CCCCCCCC(=C=CCO)CC ZINC000238203457 572333150 /nfs/dbraw/zinc/33/31/50/572333150.db2.gz CTTJXNQTAACZDH-UHFFFAOYSA-N 0 0 196.334 3.831 10 30 AHEERN C=C=C(CC=O)CCCCCCC ZINC000238203469 572329980 /nfs/dbraw/zinc/32/99/80/572329980.db2.gz YJEYYMZZKJGZPV-UHFFFAOYSA-N 0 0 180.291 3.647 10 30 AHEERN CCCCCCC/C(=C/CO)CC ZINC000238203631 572332959 /nfs/dbraw/zinc/33/29/59/572332959.db2.gz JYTADDYTCFWBEW-ZRDIBKRKSA-N 0 0 184.323 3.676 10 30 AHEERN CCCCCCCC/C=C(/C)CO ZINC000238203735 572333313 /nfs/dbraw/zinc/33/33/13/572333313.db2.gz WDRSFMAGHDGORK-BENRWUELSA-N 0 0 184.323 3.676 10 30 AHEERN C=C[C@H](CCCCCC)[C@@H](CC)CO ZINC000238203837 572333863 /nfs/dbraw/zinc/33/38/63/572333863.db2.gz NMVDCCJEUNPHQV-OLZOCXBDSA-N 0 0 198.350 3.778 10 30 AHEERN CCCCCCCC/C=C/[C@@H](C)CO ZINC000238203844 572334199 /nfs/dbraw/zinc/33/41/99/572334199.db2.gz AAIHEFGXTSNOJW-OCHBPSSRSA-N 0 0 198.350 3.922 10 30 AHEERN C=C[C@H](CCCCCC)[C@@H](O)C(C)C ZINC000238203857 572333730 /nfs/dbraw/zinc/33/37/30/572333730.db2.gz LYTBQFDEIWIVPM-OLZOCXBDSA-N 0 0 198.350 3.776 10 30 AHEERN C=C[C@H](CCCCCC)[C@H](CC)CO ZINC000238203872 572334315 /nfs/dbraw/zinc/33/43/15/572334315.db2.gz NMVDCCJEUNPHQV-CHWSQXEVSA-N 0 0 198.350 3.778 10 30 AHEERN CCCCCCCC/C=C/[C@H](C)CO ZINC000238203893 572334491 /nfs/dbraw/zinc/33/44/91/572334491.db2.gz AAIHEFGXTSNOJW-NHAQELONSA-N 0 0 198.350 3.922 10 30 AHEERN C=C[C@H](CCCCCC)[C@H](O)C(C)C ZINC000238203895 572333899 /nfs/dbraw/zinc/33/38/99/572333899.db2.gz LYTBQFDEIWIVPM-CHWSQXEVSA-N 0 0 198.350 3.776 10 30 AHEERN CCCCCCCC=C=C[C@H](C)CO ZINC000238204317 572335557 /nfs/dbraw/zinc/33/55/57/572335557.db2.gz NIEMNRGHNCHIQB-HQVZTVAUSA-N 0 0 196.334 3.687 10 30 AHEERN CCCCCCCCC#CC[C@@H](C)O ZINC000238204463 572336597 /nfs/dbraw/zinc/33/65/97/572336597.db2.gz FSIRGPQPZNFSMQ-CYBMUJFWSA-N 0 0 196.334 3.511 10 30 AHEERN CCCCCCCCC#CC[C@H](C)O ZINC000238204482 572337901 /nfs/dbraw/zinc/33/79/01/572337901.db2.gz FSIRGPQPZNFSMQ-ZDUSSCGKSA-N 0 0 196.334 3.511 10 30 AHEERN CCCCCCCCC(F)(F)C=O ZINC000238205588 572333763 /nfs/dbraw/zinc/33/37/63/572333763.db2.gz IXLNXVQUZACYQP-UHFFFAOYSA-N 0 0 192.249 3.571 10 30 AHEERN C=C(C)C[C@H](CO)CCCCCC ZINC000238206008 573415214 /nfs/dbraw/zinc/41/52/14/573415214.db2.gz OPZDLOMNGROXML-GFCCVEGCSA-N 0 0 184.323 3.532 10 30 AHEERN CCCCCCCCCC(O)=CC=O ZINC000238206296 572337305 /nfs/dbraw/zinc/33/73/05/572337305.db2.gz IHQPPOJKDVWLPK-ZHACJKMWSA-N 0 0 198.306 3.768 10 30 AHEERN CCCCCCCCCCC#CC=O ZINC000238206540 572335478 /nfs/dbraw/zinc/33/54/78/572335478.db2.gz BMWJEZCAXSJJTJ-UHFFFAOYSA-N 0 0 194.318 3.720 10 30 AHEERN C=C[C@@H](CCCCCC)C[C@@H](O)CC ZINC000238206791 572337178 /nfs/dbraw/zinc/33/71/78/572337178.db2.gz SDGSMPQTFHPNRW-STQMWFEESA-N 0 0 198.350 3.920 10 30 AHEERN C=C[C@@H](CCCCCC)C[C@H](O)CC ZINC000238206810 572337434 /nfs/dbraw/zinc/33/74/34/572337434.db2.gz SDGSMPQTFHPNRW-QWHCGFSZSA-N 0 0 198.350 3.920 10 30 AHEERN CCCCC[C@@H](C=O)[C@H]1C=CCCC1 ZINC000238207191 572335834 /nfs/dbraw/zinc/33/58/34/572335834.db2.gz DKAVPMXHDCDXMF-STQMWFEESA-N 0 0 194.318 3.738 10 30 AHEERN C=C[C@@H](Nc1ccccc1C)C(C)C ZINC000238207255 573950146 /nfs/dbraw/zinc/95/01/46/573950146.db2.gz IBIOURYDZANYIE-GFCCVEGCSA-N 0 0 189.302 3.618 10 30 AHEERN CCCCC[C@@H](C=O)[C@@H]1C=CCCC1 ZINC000238207276 572337630 /nfs/dbraw/zinc/33/76/30/572337630.db2.gz DKAVPMXHDCDXMF-OLZOCXBDSA-N 0 0 194.318 3.738 10 30 AHEERN CCCCC[C@@H](C=O)c1ccsc1 ZINC000238207353 572337066 /nfs/dbraw/zinc/33/70/66/572337066.db2.gz ZYZGCSANCINZAA-JTQLQIEISA-N 0 0 196.315 3.611 10 30 AHEERN C=C(CC1CCCCC1)[C@@H](O)C(C)C ZINC000238208629 572335487 /nfs/dbraw/zinc/33/54/87/572335487.db2.gz ACBNMXFDVXPSHO-ZDUSSCGKSA-N 0 0 196.334 3.530 10 30 AHEERN CCCCC[C@H](C=O)CCC(C)C ZINC000238208718 572337918 /nfs/dbraw/zinc/33/79/18/572337918.db2.gz HECKMHZMIWFUPU-LBPRGKRZSA-N 0 0 184.323 3.818 10 30 AHEERN C=C[C@H](C)C/C=C(\CCCO)C(C)C ZINC000238210581 573427763 /nfs/dbraw/zinc/42/77/63/573427763.db2.gz BSRPRQGKQRSNOD-OQZOHAQUSA-N 0 0 196.334 3.554 10 30 AHEERN C=C[C@]1(C)CCCC(C)(C)[C@H]1CC=O ZINC000238211209 573958155 /nfs/dbraw/zinc/95/81/55/573958155.db2.gz IXDVKYNQOMOBOW-DGCLKSJQSA-N 0 0 194.318 3.594 10 30 AHEERN C=C[C@]1(C)CCCC(C)(C)[C@@H]1CC=O ZINC000238211232 573960926 /nfs/dbraw/zinc/96/09/26/573960926.db2.gz IXDVKYNQOMOBOW-WCQYABFASA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@@H]1C(C)(C)CCC[C@@]1(C)C=O ZINC000238211339 573958424 /nfs/dbraw/zinc/95/84/24/573958424.db2.gz DDOSDSYJJWPREL-YPMHNXCESA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@H]1C(C)(C)CCC[C@@]1(C)C=O ZINC000238211357 573958039 /nfs/dbraw/zinc/95/80/39/573958039.db2.gz DDOSDSYJJWPREL-AAEUAGOBSA-N 0 0 194.318 3.594 10 30 AHEERN C=C1C(C)(C)CCC[C@@]1(C)CCC=O ZINC000238211570 573958757 /nfs/dbraw/zinc/95/87/57/573958757.db2.gz ALDJLMSQAKOWPF-ZDUSSCGKSA-N 0 0 194.318 3.738 10 30 AHEERN C=CC[C@H](O)C[C@@H](C)/C=C/CC(C)C ZINC000238211713 572340300 /nfs/dbraw/zinc/34/03/00/572340300.db2.gz YZXCZOCLOKNHKS-BNDLJXMOSA-N 0 0 196.334 3.552 10 30 AHEERN CCC/C=C/C=C/[C@@H](C)CCCC=O ZINC000238214076 572344820 /nfs/dbraw/zinc/34/48/20/572344820.db2.gz FQVCWVPOUQHLDN-PRYCGBQFSA-N 0 0 194.318 3.904 10 30 AHEERN CCC/C=C/C=C/[C@H](C)CCCC=O ZINC000238214121 572345229 /nfs/dbraw/zinc/34/52/29/572345229.db2.gz FQVCWVPOUQHLDN-UJZKJSEWSA-N 0 0 194.318 3.904 10 30 AHEERN C=C[C@@H](CO)CCCCCCCCC ZINC000238214235 572343928 /nfs/dbraw/zinc/34/39/28/572343928.db2.gz WDARSGBMUODQFK-CYBMUJFWSA-N 0 0 198.350 3.922 10 30 AHEERN CCCCCCCCCc1cn[nH]c1 ZINC000238214844 572340152 /nfs/dbraw/zinc/34/01/52/572340152.db2.gz OFRNFFNWBMHVAK-UHFFFAOYSA-N 0 0 194.322 3.703 10 30 AHEERN CCCCC#CC[C@H](O)CCCCC ZINC000238214879 572339776 /nfs/dbraw/zinc/33/97/76/572339776.db2.gz MUYHPAAWQDKQAA-CYBMUJFWSA-N 0 0 196.334 3.511 10 30 AHEERN CCCCC#CCCCCCCCO ZINC000238215103 572341316 /nfs/dbraw/zinc/34/13/16/572341316.db2.gz HUIKPKQVLVAZRU-UHFFFAOYSA-N 0 0 196.334 3.513 10 30 AHEERN CCCCC#CCCCC[C@@H](O)CC ZINC000238215153 572342090 /nfs/dbraw/zinc/34/20/90/572342090.db2.gz SWQDPEIKZLJWPM-ZDUSSCGKSA-N 0 0 196.334 3.511 10 30 AHEERN CCCCC#CCCCC[C@H](O)CC ZINC000238215169 572340128 /nfs/dbraw/zinc/34/01/28/572340128.db2.gz SWQDPEIKZLJWPM-CYBMUJFWSA-N 0 0 196.334 3.511 10 30 AHEERN CCCCC#CCC[C@@H](O)CCCC ZINC000238215305 572339922 /nfs/dbraw/zinc/33/99/22/572339922.db2.gz AMTYXPRSSOVHEW-ZDUSSCGKSA-N 0 0 196.334 3.511 10 30 AHEERN CCCCC#CCC[C@H](O)CCCC ZINC000238215348 572340845 /nfs/dbraw/zinc/34/08/45/572340845.db2.gz AMTYXPRSSOVHEW-CYBMUJFWSA-N 0 0 196.334 3.511 10 30 AHEERN C=C[C@](C)(CCO)CCCCCC ZINC000238215359 572341381 /nfs/dbraw/zinc/34/13/81/572341381.db2.gz JLSOVXSSLSIFGP-LBPRGKRZSA-N 0 0 184.323 3.532 10 30 AHEERN C=C[C@H](CCCC)[C@H](O)CCCCC ZINC000238215841 572342935 /nfs/dbraw/zinc/34/29/35/572342935.db2.gz YOJAJXMVEFBGAF-CHWSQXEVSA-N 0 0 198.350 3.920 10 30 AHEERN CCCCC#C[C@H](CC=O)CCCC ZINC000238216034 573440665 /nfs/dbraw/zinc/44/06/65/573440665.db2.gz RPWZHNZKUHFRCH-CYBMUJFWSA-N 0 0 194.318 3.575 10 30 AHEERN C=C(C)[C@]1(CCCCCC)C[C@@H]1CO ZINC000238216212 573442367 /nfs/dbraw/zinc/44/23/67/573442367.db2.gz DCRLJLMFPKBLMQ-OLZOCXBDSA-N 0 0 196.334 3.532 10 30 AHEERN C=C(C)[C@]1(CCCCCC)C[C@H]1CO ZINC000238216223 572345768 /nfs/dbraw/zinc/34/57/68/572345768.db2.gz DCRLJLMFPKBLMQ-STQMWFEESA-N 0 0 196.334 3.532 10 30 AHEERN C=C1[C@@](C)(CO)[C@@]1(C)CCCCCC ZINC000238216290 572344344 /nfs/dbraw/zinc/34/43/44/572344344.db2.gz CQCZXTFCYVKZDY-QWHCGFSZSA-N 0 0 196.334 3.532 10 30 AHEERN C=C1[C@](C)(CO)[C@@]1(C)CCCCCC ZINC000238216302 572345954 /nfs/dbraw/zinc/34/59/54/572345954.db2.gz CQCZXTFCYVKZDY-STQMWFEESA-N 0 0 196.334 3.532 10 30 AHEERN CC(C)c1cccc(C2(C#N)CCC2)c1 ZINC000238216588 572345304 /nfs/dbraw/zinc/34/53/04/572345304.db2.gz QPDATFXXHZGJAE-UHFFFAOYSA-N 0 0 199.297 3.755 10 30 AHEERN C=C[C@@H](CCCC)[C@H](O)CCCCC ZINC000238216722 572344784 /nfs/dbraw/zinc/34/47/84/572344784.db2.gz YOJAJXMVEFBGAF-QWHCGFSZSA-N 0 0 198.350 3.920 10 30 AHEERN CCCCC#C[C@@H](CC=O)CCCC ZINC000238217658 572348649 /nfs/dbraw/zinc/34/86/49/572348649.db2.gz RPWZHNZKUHFRCH-ZDUSSCGKSA-N 0 0 194.318 3.575 10 30 AHEERN C=CC(CC)(CC)Nc1ccccc1 ZINC000238217691 572349624 /nfs/dbraw/zinc/34/96/24/572349624.db2.gz LLRVBMQVDDHCBE-UHFFFAOYSA-N 0 0 189.302 3.843 10 30 AHEERN CCC(CC)=C(CC=O)CC(C)C ZINC000238219678 572356815 /nfs/dbraw/zinc/35/68/15/572356815.db2.gz DBFQKFMIFZVNNW-UHFFFAOYSA-N 0 0 182.307 3.738 10 30 AHEERN C=C[C@@H](CO)CCCCCCCC ZINC000238220358 573447578 /nfs/dbraw/zinc/44/75/78/573447578.db2.gz XMIVLPGQNPKYAK-GFCCVEGCSA-N 0 0 184.323 3.532 10 30 AHEERN C=CC[C@@H](CO)CCCCCCCC ZINC000238220373 573448291 /nfs/dbraw/zinc/44/82/91/573448291.db2.gz ZTKFYOXUDXOEQO-CYBMUJFWSA-N 0 0 198.350 3.922 10 30 AHEERN C=C[C@@H](CCCCCC)[C@@H](CC)CO ZINC000238220845 572368225 /nfs/dbraw/zinc/36/82/25/572368225.db2.gz NMVDCCJEUNPHQV-STQMWFEESA-N 0 0 198.350 3.778 10 30 AHEERN C=C[C@@H](CCCCCC)[C@@H](O)C(C)C ZINC000238220856 572370034 /nfs/dbraw/zinc/37/00/34/572370034.db2.gz LYTBQFDEIWIVPM-STQMWFEESA-N 0 0 198.350 3.776 10 30 AHEERN C=C[C@@H](CCCCCC)[C@H](CC)CO ZINC000238220864 572369309 /nfs/dbraw/zinc/36/93/09/572369309.db2.gz NMVDCCJEUNPHQV-QWHCGFSZSA-N 0 0 198.350 3.778 10 30 AHEERN C=C[C@@H](CCCCCC)[C@H](O)C(C)C ZINC000238220878 572368372 /nfs/dbraw/zinc/36/83/72/572368372.db2.gz LYTBQFDEIWIVPM-QWHCGFSZSA-N 0 0 198.350 3.776 10 30 AHEERN CCCCCC[C@H](C=O)C1=CCCC1 ZINC000238220924 572359618 /nfs/dbraw/zinc/35/96/18/572359618.db2.gz YPXYRHOFTNJVHW-CYBMUJFWSA-N 0 0 194.318 3.882 10 30 AHEERN CCCCCC[C@H](C=O)C=C(C)C ZINC000238220942 572359200 /nfs/dbraw/zinc/35/92/00/572359200.db2.gz LKJOTKVEQDJNKL-LBPRGKRZSA-N 0 0 182.307 3.738 10 30 AHEERN C=C[C@H](C)[C@@H](C=O)CCCCCC ZINC000238220952 572360237 /nfs/dbraw/zinc/36/02/37/572360237.db2.gz KETVKBOPAFYRQD-NWDGAFQWSA-N 0 0 182.307 3.594 10 30 AHEERN C=C(CCCC)[C@@H](O)C1CCCCC1 ZINC000238220970 573450590 /nfs/dbraw/zinc/45/05/90/573450590.db2.gz AJELORIKQNUKDK-CYBMUJFWSA-N 0 0 196.334 3.674 10 30 AHEERN C=C[C@@H](C)[C@@H](C=O)CCCCCC ZINC000238220978 572358682 /nfs/dbraw/zinc/35/86/82/572358682.db2.gz KETVKBOPAFYRQD-VXGBXAGGSA-N 0 0 182.307 3.594 10 30 AHEERN C=C(CCCC)[C@H](O)C1CCCCC1 ZINC000238221120 572372130 /nfs/dbraw/zinc/37/21/30/572372130.db2.gz AJELORIKQNUKDK-ZDUSSCGKSA-N 0 0 196.334 3.674 10 30 AHEERN CCCCC(=C=C(C)C)C(C)(C)C=O ZINC000238221310 572375141 /nfs/dbraw/zinc/37/51/41/572375141.db2.gz PQPRVAWIPAFAEV-UHFFFAOYSA-N 0 0 194.318 3.893 10 30 AHEERN CCCC#Cc1cc(C)cc2cc[nH]c21 ZINC000238221718 572373046 /nfs/dbraw/zinc/37/30/46/572373046.db2.gz OYTGPLRPJRBCMV-UHFFFAOYSA-N 0 0 197.281 3.628 10 30 AHEERN CCCCCCCCC(C=O)=C(C)O ZINC000238221928 572375070 /nfs/dbraw/zinc/37/50/70/572375070.db2.gz YMQGVNUDZJAHPJ-BENRWUELSA-N 0 0 198.306 3.768 10 30 AHEERN C=C(C)C[C@@H](CO)CCCCCC ZINC000238222208 572377863 /nfs/dbraw/zinc/37/78/63/572377863.db2.gz OPZDLOMNGROXML-LBPRGKRZSA-N 0 0 184.323 3.532 10 30 AHEERN C=C[C@H](CCCCCC)C[C@@H](O)CC ZINC000238222340 572376614 /nfs/dbraw/zinc/37/66/14/572376614.db2.gz SDGSMPQTFHPNRW-OLZOCXBDSA-N 0 0 198.350 3.920 10 30 AHEERN C=C[C@H](CCCCCC)C[C@H](O)CC ZINC000238222350 572377893 /nfs/dbraw/zinc/37/78/93/572377893.db2.gz SDGSMPQTFHPNRW-CHWSQXEVSA-N 0 0 198.350 3.920 10 30 AHEERN CCC[C@H](CC=O)C1CCCCC1 ZINC000238223669 572384398 /nfs/dbraw/zinc/38/43/98/572384398.db2.gz HYVTZUNICUOGHX-LLVKDONJSA-N 0 0 182.307 3.572 10 30 AHEERN C=CC(C)(C=C)[C@@H](O)CCCCCC ZINC000238223917 572375872 /nfs/dbraw/zinc/37/58/72/572375872.db2.gz APAFBPKBKUSPAC-LBPRGKRZSA-N 0 0 196.334 3.696 10 30 AHEERN C=CCC(=C)C[C@@H](O)CCCCCC ZINC000238224173 572377884 /nfs/dbraw/zinc/37/78/84/572377884.db2.gz IFDSODLUYQAKAG-ZDUSSCGKSA-N 0 0 196.334 3.840 10 30 AHEERN C=C[C@H](/C=C/C)[C@@H](O)CCCCCC ZINC000238225383 572383751 /nfs/dbraw/zinc/38/37/51/572383751.db2.gz QCXVSTKAHWSQOC-BWDLBIMJSA-N 0 0 196.334 3.696 10 30 AHEERN CCCCCCC[C@@H](C=O)C(C)C ZINC000238227768 572391555 /nfs/dbraw/zinc/39/15/55/572391555.db2.gz WKRXUIJFJGHSAO-LBPRGKRZSA-N 0 0 184.323 3.818 10 30 AHEERN C=C[C@@](C)(CCO)CCCCCC ZINC000238228685 572394995 /nfs/dbraw/zinc/39/49/95/572394995.db2.gz JLSOVXSSLSIFGP-GFCCVEGCSA-N 0 0 184.323 3.532 10 30 AHEERN CC1=CCCC(C)(C)[C@@H]1CCCC=O ZINC000238228931 572395327 /nfs/dbraw/zinc/39/53/27/572395327.db2.gz NOXQBLXAWVSGAP-GFCCVEGCSA-N 0 0 194.318 3.738 10 30 AHEERN CC1=CCCC(C)(C)[C@H]1CCCC=O ZINC000238229365 572396715 /nfs/dbraw/zinc/39/67/15/572396715.db2.gz NOXQBLXAWVSGAP-LBPRGKRZSA-N 0 0 194.318 3.738 10 30 AHEERN C=C(C)[C@@]1(CCCCCC)C[C@@H]1CO ZINC000238229681 572394997 /nfs/dbraw/zinc/39/49/97/572394997.db2.gz DCRLJLMFPKBLMQ-CHWSQXEVSA-N 0 0 196.334 3.532 10 30 AHEERN C=C(C)[C@@]1(CCCCCC)C[C@H]1CO ZINC000238229700 573974145 /nfs/dbraw/zinc/97/41/45/573974145.db2.gz DCRLJLMFPKBLMQ-QWHCGFSZSA-N 0 0 196.334 3.532 10 30 AHEERN C=C1[C@@](C)(CCCCCC)[C@]1(C)CO ZINC000238229772 572395750 /nfs/dbraw/zinc/39/57/50/572395750.db2.gz CQCZXTFCYVKZDY-CHWSQXEVSA-N 0 0 196.334 3.532 10 30 AHEERN C=C1[C@](C)(CO)[C@]1(C)CCCCCC ZINC000238229785 572395246 /nfs/dbraw/zinc/39/52/46/572395246.db2.gz CQCZXTFCYVKZDY-OLZOCXBDSA-N 0 0 196.334 3.532 10 30 AHEERN CCCCCCC[C@@H](O)/C=C/C(C)C ZINC000238229811 572395104 /nfs/dbraw/zinc/39/51/04/572395104.db2.gz SRSVDLJTLSISFO-OCHBPSSRSA-N 0 0 198.350 3.920 10 30 AHEERN C=CC(C=C)[C@H](O)CCCCCCC ZINC000238229986 572400127 /nfs/dbraw/zinc/40/01/27/572400127.db2.gz XQZMJVUFIFNPPN-CYBMUJFWSA-N 0 0 196.334 3.696 10 30 AHEERN C/C=C(\F)[C@H](O)CCCCCCC ZINC000238230027 572398724 /nfs/dbraw/zinc/39/87/24/572398724.db2.gz XMPNOVVJKDGHMI-NEOSZVFXSA-N 0 0 188.286 3.581 10 30 AHEERN C=C/C=C/C[C@H](O)CCCCCCC ZINC000238230048 572399945 /nfs/dbraw/zinc/39/99/45/572399945.db2.gz PZTSRQVCRJAVRD-PPGNKHEKSA-N 0 0 196.334 3.840 10 30 AHEERN C=CC[C@H](C)[C@H](O)CCCCCCC ZINC000238230338 572398606 /nfs/dbraw/zinc/39/86/06/572398606.db2.gz NEVJIUMEEAAIPF-QWHCGFSZSA-N 0 0 198.350 3.920 10 30 AHEERN C=CC[C@@H](C)[C@H](O)CCCCCCC ZINC000238230482 572403098 /nfs/dbraw/zinc/40/30/98/572403098.db2.gz NEVJIUMEEAAIPF-CHWSQXEVSA-N 0 0 198.350 3.920 10 30 AHEERN CCCCC[C@H](C=O)[C@H]1C=CCCC1 ZINC000238231080 572395101 /nfs/dbraw/zinc/39/51/01/572395101.db2.gz DKAVPMXHDCDXMF-QWHCGFSZSA-N 0 0 194.318 3.738 10 30 AHEERN CCCCC[C@H](C=O)[C@@H]1C=CCCC1 ZINC000238231142 572399522 /nfs/dbraw/zinc/39/95/22/572399522.db2.gz DKAVPMXHDCDXMF-CHWSQXEVSA-N 0 0 194.318 3.738 10 30 AHEERN CCCCC[C@H](C=O)c1ccsc1 ZINC000238231192 572400412 /nfs/dbraw/zinc/40/04/12/572400412.db2.gz ZYZGCSANCINZAA-SNVBAGLBSA-N 0 0 196.315 3.611 10 30 AHEERN CCCCCCc1ccc(C#N)s1 ZINC000238231420 572401417 /nfs/dbraw/zinc/40/14/17/572401417.db2.gz OOENKMZUDIWSTQ-UHFFFAOYSA-N 0 0 193.315 3.743 10 30 AHEERN CCCCC(CC=O)=C(CC)CC ZINC000238231495 572398716 /nfs/dbraw/zinc/39/87/16/572398716.db2.gz NUIRTSXAFGOFJN-UHFFFAOYSA-N 0 0 182.307 3.882 10 30 AHEERN C=C([C@@H](O)CCCC)C1CCCCC1 ZINC000238231652 572401300 /nfs/dbraw/zinc/40/13/00/572401300.db2.gz WSZCEXOJZUJNDP-ZDUSSCGKSA-N 0 0 196.334 3.674 10 30 AHEERN C=C(C)CCCC(=C)[C@@H](O)CCCC ZINC000238231702 572400440 /nfs/dbraw/zinc/40/04/40/572400440.db2.gz JXWMHYGGSSSPDP-ZDUSSCGKSA-N 0 0 196.334 3.840 10 30 AHEERN C=C(C=C(CCCC)CCCC)CO ZINC000238231805 572399308 /nfs/dbraw/zinc/39/93/08/572399308.db2.gz CMYRWOIDKULVCW-UHFFFAOYSA-N 0 0 196.334 3.842 10 30 AHEERN CCCCC[C@@H](C=O)CCC(C)C ZINC000238232111 572408126 /nfs/dbraw/zinc/40/81/26/572408126.db2.gz HECKMHZMIWFUPU-GFCCVEGCSA-N 0 0 184.323 3.818 10 30 AHEERN C=CC[C@H](O)C(CCCC)CCCC ZINC000238232257 572409567 /nfs/dbraw/zinc/40/95/67/572409567.db2.gz NRNIWZBNOSFROG-ZDUSSCGKSA-N 0 0 198.350 3.920 10 30 AHEERN C=CC[C@@H](O)C(CCCC)CCCC ZINC000238232323 572408796 /nfs/dbraw/zinc/40/87/96/572408796.db2.gz NRNIWZBNOSFROG-CYBMUJFWSA-N 0 0 198.350 3.920 10 30 AHEERN C=C(C)CC/C=C(\C)[C@@H](O)CCCC ZINC000238232485 572407909 /nfs/dbraw/zinc/40/79/09/572407909.db2.gz KZENCCVRYWTOAR-SRXBQZRASA-N 0 0 196.334 3.840 10 30 AHEERN CCCCCCc1cscc1C#N ZINC000238232592 572409133 /nfs/dbraw/zinc/40/91/33/572409133.db2.gz ARCZOOCVIWWMLR-UHFFFAOYSA-N 0 0 193.315 3.743 10 30 AHEERN CC1=CCC[C@](C)(C(C)(C)C)[C@@H]1C=O ZINC000238233071 573990630 /nfs/dbraw/zinc/99/06/30/573990630.db2.gz SXIOGNJJKCWFRH-YPMHNXCESA-N 0 0 194.318 3.594 10 30 AHEERN CC1=CCC[C@](C)(C(C)(C)C)[C@H]1C=O ZINC000238233085 573993206 /nfs/dbraw/zinc/99/32/06/573993206.db2.gz SXIOGNJJKCWFRH-AAEUAGOBSA-N 0 0 194.318 3.594 10 30 AHEERN C=C[C@H](C)c1ccc(O)c(C(C)C)c1 ZINC000238233242 573991488 /nfs/dbraw/zinc/99/14/88/573991488.db2.gz KNESXYAQMDTQHV-JTQLQIEISA-N 0 0 190.286 3.805 10 30 AHEERN C=C[C@@H](C)c1ccc(O)c(C(C)C)c1 ZINC000238233343 573992923 /nfs/dbraw/zinc/99/29/23/573992923.db2.gz KNESXYAQMDTQHV-SNVBAGLBSA-N 0 0 190.286 3.805 10 30 AHEERN C=C(C)c1ccc(C(C)C)cc1C=O ZINC000238234342 573996408 /nfs/dbraw/zinc/99/64/08/573996408.db2.gz JHCRVCZDKKQBNK-UHFFFAOYSA-N 0 0 188.270 3.656 10 30 AHEERN C=C[C@H](C)[C@H](O)/C(C)=C\CCCCC ZINC000238234454 572411935 /nfs/dbraw/zinc/41/19/35/572411935.db2.gz RXOHMMSHKHQSJV-UYVMEVJISA-N 0 0 196.334 3.696 10 30 AHEERN C=C[C@H](C)[C@@H](O)/C(C)=C\CCCCC ZINC000238234526 572411426 /nfs/dbraw/zinc/41/14/26/572411426.db2.gz RXOHMMSHKHQSJV-WEVJOFGFSA-N 0 0 196.334 3.696 10 30 AHEERN C=C[C@@H](C)[C@@H](O)/C(C)=C\CCCCC ZINC000238234535 572413396 /nfs/dbraw/zinc/41/33/96/572413396.db2.gz RXOHMMSHKHQSJV-KLOBIAMYSA-N 0 0 196.334 3.696 10 30 AHEERN C=C(C)/C=C/C[C@H](C)[C@@H](O)CCCC ZINC000238234581 572413965 /nfs/dbraw/zinc/41/39/65/572413965.db2.gz UIGBBZYNXSXHTI-FVWNJDPFSA-N 0 0 196.334 3.696 10 30 AHEERN C=C(/C=C/CCCCC)[C@@H](O)CCC ZINC000238234930 572412486 /nfs/dbraw/zinc/41/24/86/572412486.db2.gz XJWHFEVBSXNNIF-STRFDMGBSA-N 0 0 196.334 3.840 10 30 AHEERN C=C(/C=C/CCCCC)[C@H](O)CCC ZINC000238234951 572411695 /nfs/dbraw/zinc/41/16/95/572411695.db2.gz XJWHFEVBSXNNIF-YGNAEDSMSA-N 0 0 196.334 3.840 10 30 AHEERN CCCCCCC[C@H](O)/C=C/C(C)C ZINC000238235247 572414314 /nfs/dbraw/zinc/41/43/14/572414314.db2.gz SRSVDLJTLSISFO-NHAQELONSA-N 0 0 198.350 3.920 10 30 AHEERN C=CC(C=C)[C@@H](O)CCCCCCC ZINC000238235431 572418838 /nfs/dbraw/zinc/41/88/38/572418838.db2.gz XQZMJVUFIFNPPN-ZDUSSCGKSA-N 0 0 196.334 3.696 10 30 AHEERN C=C(CCCC=O)[C@@H]1CC=C(C)CC1 ZINC000238235456 572421890 /nfs/dbraw/zinc/42/18/90/572421890.db2.gz FYLMTFAFABGGKS-CYBMUJFWSA-N 0 0 192.302 3.658 10 30 AHEERN C/C=C(\F)[C@@H](O)CCCCCCC ZINC000238235471 572421480 /nfs/dbraw/zinc/42/14/80/572421480.db2.gz XMPNOVVJKDGHMI-FGUAACIASA-N 0 0 188.286 3.581 10 30 AHEERN C=C/C=C/C[C@@H](O)CCCCCCC ZINC000238235485 572419833 /nfs/dbraw/zinc/41/98/33/572419833.db2.gz PZTSRQVCRJAVRD-YSKGHYERSA-N 0 0 196.334 3.840 10 30 AHEERN C=CC[C@H](O)CC/C=C/CCCCC ZINC000238235630 572420627 /nfs/dbraw/zinc/42/06/27/572420627.db2.gz JTDLHQYQHXKPFB-XEHSLEBBSA-N 0 0 196.334 3.840 10 30 AHEERN C=CC[C@@H](O)CC/C=C/CCCCC ZINC000238235738 573473647 /nfs/dbraw/zinc/47/36/47/573473647.db2.gz JTDLHQYQHXKPFB-MMQHEFTJSA-N 0 0 196.334 3.840 10 30 AHEERN C=CC[C@H](C)[C@@H](O)CCCCCCC ZINC000238235756 572421882 /nfs/dbraw/zinc/42/18/82/572421882.db2.gz NEVJIUMEEAAIPF-STQMWFEESA-N 0 0 198.350 3.920 10 30 AHEERN C=CC[C@@H](C)[C@@H](O)CCCCCCC ZINC000238235871 574000466 /nfs/dbraw/zinc/00/04/66/574000466.db2.gz NEVJIUMEEAAIPF-OLZOCXBDSA-N 0 0 198.350 3.920 10 30 AHEERN C=CCCCC/C=C/[C@@H](O)CCCC ZINC000238237033 572415957 /nfs/dbraw/zinc/41/59/57/572415957.db2.gz XQKXZYWNFUTPBD-XSNHNAGMSA-N 0 0 196.334 3.840 10 30 AHEERN CCCCC#CC[C@@H](O)CCCCC ZINC000238237171 572415985 /nfs/dbraw/zinc/41/59/85/572415985.db2.gz MUYHPAAWQDKQAA-ZDUSSCGKSA-N 0 0 196.334 3.511 10 30 AHEERN CCCCCCCc1ccc(C)[nH]1 ZINC000238237949 572429313 /nfs/dbraw/zinc/42/93/13/572429313.db2.gz NASRXUUZSBAKJU-UHFFFAOYSA-N 0 0 179.307 3.836 10 30 AHEERN C=C[C@H](CCCC)[C@@H](O)CCCCC ZINC000238238124 572429636 /nfs/dbraw/zinc/42/96/36/572429636.db2.gz YOJAJXMVEFBGAF-OLZOCXBDSA-N 0 0 198.350 3.920 10 30 AHEERN CCCCC1([C@@H](C)C=O)CCCC1 ZINC000238238534 572423720 /nfs/dbraw/zinc/42/37/20/572423720.db2.gz RQOKANVGZUTAKP-NSHDSACASA-N 0 0 182.307 3.572 10 30 AHEERN CCCCC1([C@H](C)C=O)CCCC1 ZINC000238238563 572425068 /nfs/dbraw/zinc/42/50/68/572425068.db2.gz RQOKANVGZUTAKP-LLVKDONJSA-N 0 0 182.307 3.572 10 30 AHEERN C=C[C@@H](CCCC)[C@@H](O)CCCCC ZINC000238238991 572437142 /nfs/dbraw/zinc/43/71/42/572437142.db2.gz YOJAJXMVEFBGAF-STQMWFEESA-N 0 0 198.350 3.920 10 30 AHEERN C=CC(C)(C)[C@]1(C=O)CC=C(C)CC1 ZINC000238240204 574006683 /nfs/dbraw/zinc/00/66/83/574006683.db2.gz WAVRWDGKFNTKKP-CYBMUJFWSA-N 0 0 192.302 3.514 10 30 AHEERN C=C(CCCC=O)[C@H]1CC=C(C)CC1 ZINC000238241440 572449611 /nfs/dbraw/zinc/44/96/11/572449611.db2.gz FYLMTFAFABGGKS-ZDUSSCGKSA-N 0 0 192.302 3.658 10 30 AHEERN CCC[C@H](C#N)c1ccccc1Cl ZINC000238244379 573003130 /nfs/dbraw/zinc/00/31/30/573003130.db2.gz DSPHMNBVKNARGL-SECBINFHSA-N 0 0 193.677 3.747 10 30 AHEERN C=CC(C)(C)[C@@]1(C=O)CC=C(C)CC1 ZINC000238244928 573002049 /nfs/dbraw/zinc/00/20/49/573002049.db2.gz WAVRWDGKFNTKKP-ZDUSSCGKSA-N 0 0 192.302 3.514 10 30 AHEERN CCCCCC#CC[C@H](O)CCCC ZINC000238244968 572454001 /nfs/dbraw/zinc/45/40/01/572454001.db2.gz CVPFVCCVEAOHFU-CYBMUJFWSA-N 0 0 196.334 3.511 10 30 AHEERN CC1=C2CCCCC[C@@]2(C=O)CCC1 ZINC000238251836 573010621 /nfs/dbraw/zinc/01/06/21/573010621.db2.gz RXIOJJDAPUFFMQ-ZDUSSCGKSA-N 0 0 192.302 3.636 10 30 AHEERN CC1=C2CCCCC[C@]2(C=O)CCC1 ZINC000238251862 573008406 /nfs/dbraw/zinc/00/84/06/573008406.db2.gz RXIOJJDAPUFFMQ-CYBMUJFWSA-N 0 0 192.302 3.636 10 30 AHEERN C=C[C@H](CCCC)c1ccccc1N ZINC000238255834 572460767 /nfs/dbraw/zinc/46/07/67/572460767.db2.gz RJJGVBAPBSXLAE-LLVKDONJSA-N 0 0 189.302 3.729 10 30 AHEERN C=C[C@H](CCC)[C@H](C=O)CCCC ZINC000238255914 572463225 /nfs/dbraw/zinc/46/32/25/572463225.db2.gz WFSUGMPCOYTFQG-NEPJUHHUSA-N 0 0 182.307 3.594 10 30 AHEERN C=C(C)CCC[C@H](C)C[C@H](O)CCC ZINC000238255944 572461145 /nfs/dbraw/zinc/46/11/45/572461145.db2.gz PELDQFGLXZWBTA-QWHCGFSZSA-N 0 0 198.350 3.920 10 30 AHEERN C=C[C@@H](CCC)[C@H](C=O)CCCC ZINC000238256009 572463723 /nfs/dbraw/zinc/46/37/23/572463723.db2.gz WFSUGMPCOYTFQG-RYUDHWBXSA-N 0 0 182.307 3.594 10 30 AHEERN C=C(C)CCC[C@@H](C)C[C@H](O)CCC ZINC000238256102 572465895 /nfs/dbraw/zinc/46/58/95/572465895.db2.gz PELDQFGLXZWBTA-CHWSQXEVSA-N 0 0 198.350 3.920 10 30 AHEERN CCCC[C@H](C#CC(F)(F)F)CC ZINC000238256638 572464991 /nfs/dbraw/zinc/46/49/91/572464991.db2.gz BFTHMYZMUCKMBY-SECBINFHSA-N 0 0 192.224 3.769 10 30 AHEERN CCCC[C@@H](CC)C(=O)/C=C/Cl ZINC000238257578 572006228 /nfs/dbraw/zinc/00/62/28/572006228.db2.gz ADIBVMDRLWTYFM-FCZSHJHJSA-N 0 0 188.698 3.524 10 30 AHEERN C=C[C@H](CCC)Nc1ccc(F)cc1 ZINC000238258849 572472351 /nfs/dbraw/zinc/47/23/51/572472351.db2.gz XDPREKHVDNTBKG-LLVKDONJSA-N 0 0 193.265 3.592 10 30 AHEERN CC[C@@H](CCC=C(C)C)[C@@H](C)C=O ZINC000238261045 572476511 /nfs/dbraw/zinc/47/65/11/572476511.db2.gz RTBPTRQQLCWVAK-RYUDHWBXSA-N 0 0 182.307 3.594 10 30 AHEERN CC[C@@H](CCC=C(C)C)[C@H](C)C=O ZINC000238261055 572475637 /nfs/dbraw/zinc/47/56/37/572475637.db2.gz RTBPTRQQLCWVAK-NEPJUHHUSA-N 0 0 182.307 3.594 10 30 AHEERN CC[C@@H](C)C/C=C/[C@H](C)CCC=O ZINC000238261589 572483927 /nfs/dbraw/zinc/48/39/27/572483927.db2.gz VHOJTWVQHHSTAU-XPMWWOIKSA-N 0 0 182.307 3.594 10 30 AHEERN C=C(C)CCC[C@H](C)C[C@@H](O)CCC ZINC000238262565 572479489 /nfs/dbraw/zinc/47/94/89/572479489.db2.gz PELDQFGLXZWBTA-STQMWFEESA-N 0 0 198.350 3.920 10 30 AHEERN C=C(C)CCC[C@@H](C)C[C@@H](O)CCC ZINC000238262675 572480772 /nfs/dbraw/zinc/48/07/72/572480772.db2.gz PELDQFGLXZWBTA-OLZOCXBDSA-N 0 0 198.350 3.920 10 30 AHEERN CC[C@H](C=O)CC[C@@H]1CC=CC1(C)C ZINC000238267969 572493566 /nfs/dbraw/zinc/49/35/66/572493566.db2.gz AKOZXAIUCHJFDU-RYUDHWBXSA-N 0 0 194.318 3.594 10 30 AHEERN CC[C@@]1(C)CCCC(C)(C)[C@@H]1CC=O ZINC000238268071 573071029 /nfs/dbraw/zinc/07/10/29/573071029.db2.gz SHYFZJNYEKTKQR-AAEUAGOBSA-N 0 0 196.334 3.818 10 30 AHEERN CC[C@@]1(C)CCCC(C)(C)[C@H]1CC=O ZINC000238268082 573074092 /nfs/dbraw/zinc/07/40/92/573074092.db2.gz SHYFZJNYEKTKQR-YPMHNXCESA-N 0 0 196.334 3.818 10 30 AHEERN CC[C@H](C=O)CC[C@H]1CC=CC1(C)C ZINC000238268102 572494044 /nfs/dbraw/zinc/49/40/44/572494044.db2.gz AKOZXAIUCHJFDU-NWDGAFQWSA-N 0 0 194.318 3.594 10 30 AHEERN CCCCc1ccc(C2(C#N)CC2)cc1 ZINC000238270650 572496136 /nfs/dbraw/zinc/49/61/36/572496136.db2.gz UQAAKOZVCMUMLL-UHFFFAOYSA-N 0 0 199.297 3.584 10 30 AHEERN C=C1CCCC(C)(C)[C@@H]1C[C@H](O)CC ZINC000238271942 573082508 /nfs/dbraw/zinc/08/25/08/573082508.db2.gz SWULJHBKQVZFEV-VXGBXAGGSA-N 0 0 196.334 3.530 10 30 AHEERN C=C1CCCC(C)(C)[C@H]1C[C@H](O)CC ZINC000238272393 573085239 /nfs/dbraw/zinc/08/52/39/573085239.db2.gz SWULJHBKQVZFEV-NEPJUHHUSA-N 0 0 196.334 3.530 10 30 AHEERN C=C[C@@](C)(CC)C(O)[C@@](C)(C=C)CC ZINC000238275594 572507222 /nfs/dbraw/zinc/50/72/22/572507222.db2.gz RBVBJXWXBGJSGM-STQMWFEESA-N 0 0 196.334 3.552 10 30 AHEERN C=CC[C@@](C)(CC)c1ccc(O)cc1 ZINC000238276512 572505106 /nfs/dbraw/zinc/50/51/06/572505106.db2.gz FRPKHMPHEWPZFC-CYBMUJFWSA-N 0 0 190.286 3.636 10 30 AHEERN C=C[C@H](C)c1ccc(O)c(CCC)c1 ZINC000238278591 572510021 /nfs/dbraw/zinc/51/00/21/572510021.db2.gz XEOJZSHIWUIZFP-JTQLQIEISA-N 0 0 190.286 3.634 10 30 AHEERN C=C[C@@H](C)c1ccc(O)c(CCC)c1 ZINC000238278757 572510337 /nfs/dbraw/zinc/51/03/37/572510337.db2.gz XEOJZSHIWUIZFP-SNVBAGLBSA-N 0 0 190.286 3.634 10 30 AHEERN C=CCc1ccc(O)c([C@@H](C)CC)c1 ZINC000238278874 572511055 /nfs/dbraw/zinc/51/10/55/572511055.db2.gz PNHOJTIMWOJEDZ-JTQLQIEISA-N 0 0 190.286 3.634 10 30 AHEERN CC[C@](C)(Cl)C#C/C(C)=C/Cl ZINC000238281841 573131099 /nfs/dbraw/zinc/13/10/99/573131099.db2.gz JRGUCYGCPFFCOY-FLOXNTQESA-N 0 0 191.101 3.540 10 30 AHEERN C=C(/C=C/Cl)[C@@](C)(Cl)CC ZINC000238281918 573128927 /nfs/dbraw/zinc/12/89/27/573128927.db2.gz XKDMEEROIOBFPG-GJIOHYHPSA-N 0 0 179.090 3.703 10 30 AHEERN C=C[C@H](C)c1cccc(CCC)c1O ZINC000238286617 344798882 /nfs/dbraw/zinc/79/88/82/344798882.db2.gz KAVWGRZLTYOUOP-JTQLQIEISA-N 0 0 190.286 3.634 10 30 AHEERN C=C[C@@H](C)c1cccc(CCC)c1O ZINC000238286824 344799153 /nfs/dbraw/zinc/79/91/53/344799153.db2.gz KAVWGRZLTYOUOP-SNVBAGLBSA-N 0 0 190.286 3.634 10 30 AHEERN C=C[C@](C)(CC)C(O)[C@](C)(C=C)CC ZINC000238287213 572523264 /nfs/dbraw/zinc/52/32/64/572523264.db2.gz RBVBJXWXBGJSGM-CHWSQXEVSA-N 0 0 196.334 3.552 10 30 AHEERN C=CC[C@](C)(CC)c1ccc(O)cc1 ZINC000238287876 572522522 /nfs/dbraw/zinc/52/25/22/572522522.db2.gz FRPKHMPHEWPZFC-ZDUSSCGKSA-N 0 0 190.286 3.636 10 30 AHEERN CC[C@H](C=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000238291200 573143929 /nfs/dbraw/zinc/14/39/29/573143929.db2.gz RFDKORIVTNVNSC-IJLUTSLNSA-N 0 0 196.334 3.674 10 30 AHEERN CC[C@H](C=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000238291397 573151150 /nfs/dbraw/zinc/15/11/50/573151150.db2.gz RFDKORIVTNVNSC-UTUOFQBUSA-N 0 0 196.334 3.674 10 30 AHEERN CC[C@@](C)(Cl)C#C/C(C)=C/Cl ZINC000238291734 573153703 /nfs/dbraw/zinc/15/37/03/573153703.db2.gz JRGUCYGCPFFCOY-FCZSHJHJSA-N 0 0 191.101 3.540 10 30 AHEERN C=C(/C=C/Cl)[C@](C)(Cl)CC ZINC000238291777 573153978 /nfs/dbraw/zinc/15/39/78/573153978.db2.gz XKDMEEROIOBFPG-HQZHTGGTSA-N 0 0 179.090 3.703 10 30 AHEERN CC[C@H](CCC=C(C)C)[C@@H](C)C=O ZINC000238298222 572542261 /nfs/dbraw/zinc/54/22/61/572542261.db2.gz RTBPTRQQLCWVAK-NWDGAFQWSA-N 0 0 182.307 3.594 10 30 AHEERN CC[C@H](CCC=C(C)C)[C@H](C)C=O ZINC000238298238 572541316 /nfs/dbraw/zinc/54/13/16/572541316.db2.gz RTBPTRQQLCWVAK-VXGBXAGGSA-N 0 0 182.307 3.594 10 30 AHEERN CC[C@]1(C)CCCC(C)(C)[C@@H]1CC=O ZINC000238303730 573167675 /nfs/dbraw/zinc/16/76/75/573167675.db2.gz SHYFZJNYEKTKQR-WCQYABFASA-N 0 0 196.334 3.818 10 30 AHEERN CC[C@]1(C)CCCC(C)(C)[C@H]1CC=O ZINC000238303741 573171596 /nfs/dbraw/zinc/17/15/96/573171596.db2.gz SHYFZJNYEKTKQR-DGCLKSJQSA-N 0 0 196.334 3.818 10 30 AHEERN CC[C@@H](C=O)CC[C@@H]1CC=CC1(C)C ZINC000238303752 572545767 /nfs/dbraw/zinc/54/57/67/572545767.db2.gz AKOZXAIUCHJFDU-NEPJUHHUSA-N 0 0 194.318 3.594 10 30 AHEERN CC[C@H](C)/C=C/C=C(\C)C[C@H](C)C=O ZINC000238305019 572543853 /nfs/dbraw/zinc/54/38/53/572543853.db2.gz LDZJXCOAVDNXGB-JGJRZOTGSA-N 0 0 194.318 3.760 10 30 AHEERN C=C1CCCC(C)(C)[C@@H]1C[C@@H](O)CC ZINC000238308472 573218193 /nfs/dbraw/zinc/21/81/93/573218193.db2.gz SWULJHBKQVZFEV-NWDGAFQWSA-N 0 0 196.334 3.530 10 30 AHEERN C=C1CCCC(C)(C)[C@H]1C[C@@H](O)CC ZINC000238308811 573219183 /nfs/dbraw/zinc/21/91/83/573219183.db2.gz SWULJHBKQVZFEV-RYUDHWBXSA-N 0 0 196.334 3.530 10 30 AHEERN CC[C@H](C)C[C@H](C)/C=C/CCC=O ZINC000238317933 572556107 /nfs/dbraw/zinc/55/61/07/572556107.db2.gz AGZAGBSJZBEQAN-TXBNAWBVSA-N 0 0 182.307 3.594 10 30 AHEERN C=C[C@H](C)c1c(C)cc(C)cc1NC ZINC000238326880 573262312 /nfs/dbraw/zinc/26/23/12/573262312.db2.gz ZOCFAHXOCDSDQW-JTQLQIEISA-N 0 0 189.302 3.635 10 30 AHEERN C=C[C@@H](C)c1c(C)cc(C)cc1NC ZINC000238326895 573259293 /nfs/dbraw/zinc/25/92/93/573259293.db2.gz ZOCFAHXOCDSDQW-SNVBAGLBSA-N 0 0 189.302 3.635 10 30 AHEERN C=C(C)C[C@@H]1CCC/C(=C/OC)C1 ZINC000238334116 573287944 /nfs/dbraw/zinc/28/79/44/573287944.db2.gz DMSUEXKZALGDJF-AWPPVZKDSA-N 0 0 180.291 3.673 10 30 AHEERN C=C(C)C[C@H]1CCC/C(=C/OC)C1 ZINC000238334213 573288577 /nfs/dbraw/zinc/28/85/77/573288577.db2.gz DMSUEXKZALGDJF-ZGSOTFDTSA-N 0 0 180.291 3.673 10 30 AHEERN C=CCC[C@H](O)[C@@H](C)C1CCCCC1 ZINC000238366882 572630348 /nfs/dbraw/zinc/63/03/48/572630348.db2.gz WXWSNKVNMUIWKT-AAEUAGOBSA-N 0 0 196.334 3.530 10 30 AHEERN C=CCC[C@@H](O)[C@@H](C)C1CCCCC1 ZINC000238366983 572629147 /nfs/dbraw/zinc/62/91/47/572629147.db2.gz WXWSNKVNMUIWKT-WCQYABFASA-N 0 0 196.334 3.530 10 30 AHEERN C=C[C@H](C)C(C)(C)Nc1ccccc1 ZINC000238368895 573357231 /nfs/dbraw/zinc/35/72/31/573357231.db2.gz XJFLYMAOMSCVNJ-NSHDSACASA-N 0 0 189.302 3.699 10 30 AHEERN COc1ccc(N=[N+]=[N-])c(N=[N+]=[N-])c1 ZINC000238369480 573358081 /nfs/dbraw/zinc/35/80/81/573358081.db2.gz VVDHEKYYMYTUBN-UHFFFAOYSA-N 0 0 190.166 3.579 10 30 AHEERN C=C[C@H](C)[C@@]1(C=O)CCC(=C(C)C)C1 ZINC000238372561 573377718 /nfs/dbraw/zinc/37/77/18/573377718.db2.gz BZWDYJVPNMJPTC-AAEUAGOBSA-N 0 0 192.302 3.514 10 30 AHEERN C[C@H](CC=O)CC[C@@H]1CCCC[C@@H]1C ZINC000238373058 572641268 /nfs/dbraw/zinc/64/12/68/572641268.db2.gz CDCLJWSUURSKCF-AVGNSLFASA-N 0 0 196.334 3.818 10 30 AHEERN C[C@H](CC=O)CC[C@H]1CCCC[C@@H]1C ZINC000238374303 572642090 /nfs/dbraw/zinc/64/20/90/572642090.db2.gz CDCLJWSUURSKCF-RWMBFGLXSA-N 0 0 196.334 3.818 10 30 AHEERN C=C[C@H](C)[C@]1(C=O)CCC(=C(C)C)C1 ZINC000238375085 573385592 /nfs/dbraw/zinc/38/55/92/573385592.db2.gz BZWDYJVPNMJPTC-WCQYABFASA-N 0 0 192.302 3.514 10 30 AHEERN C=C[C@H](C)c1cc(Cl)cc(C)c1O ZINC000238375763 573383171 /nfs/dbraw/zinc/38/31/71/573383171.db2.gz QLXGUCUARSTEKG-ZETCQYMHSA-N 0 0 196.677 3.644 10 30 AHEERN C=C[C@H](C)c1[nH]c2ccccc2c1C ZINC000238376169 573386306 /nfs/dbraw/zinc/38/63/06/573386306.db2.gz XHUDWCMYPCGVSW-VIFPVBQESA-N 0 0 185.270 3.766 10 30 AHEERN C=C(C)CCC[C@@H](C(=C)C)[C@@H](C)C=O ZINC000238378002 572642335 /nfs/dbraw/zinc/64/23/35/572642335.db2.gz LOMQEXHVRRFYAP-STQMWFEESA-N 0 0 194.318 3.760 10 30 AHEERN C=C(C)CCC[C@H](C(=C)C)[C@@H](C)C=O ZINC000238380131 572651055 /nfs/dbraw/zinc/65/10/55/572651055.db2.gz LOMQEXHVRRFYAP-QWHCGFSZSA-N 0 0 194.318 3.760 10 30 AHEERN C=CCC/C=C/C=C(\C)C[C@H](C)C=O ZINC000238405931 572678458 /nfs/dbraw/zinc/67/84/58/572678458.db2.gz OJEUROWIEWPXRB-YCLWSADISA-N 0 0 192.302 3.680 10 30 AHEERN Cc1ccc2ccccc2c1[C@@H](C)C#N ZINC000238410265 572692648 /nfs/dbraw/zinc/69/26/48/572692648.db2.gz GSHDWEYEWRGSCE-NSHDSACASA-N 0 0 195.265 3.775 10 30 AHEERN C[C@@H](C#N)c1ccc(F)c2ccccc21 ZINC000238410719 572691724 /nfs/dbraw/zinc/69/17/24/572691724.db2.gz VMHAMRMHXMSGGD-VIFPVBQESA-N 0 0 199.228 3.606 10 30 AHEERN C=C[C@H](O)CC[C@H](C)CCC=C(C)C ZINC000238411573 573210897 /nfs/dbraw/zinc/21/08/97/573210897.db2.gz YYDQAYQLZAZJPS-OLZOCXBDSA-N 0 0 196.334 3.696 10 30 AHEERN C=C[C@@H](O)CC[C@H](C)CCC=C(C)C ZINC000238411585 573219250 /nfs/dbraw/zinc/21/92/50/573219250.db2.gz YYDQAYQLZAZJPS-CHWSQXEVSA-N 0 0 196.334 3.696 10 30 AHEERN Cc1ccc2ccccc2c1[C@H](C)C#N ZINC000238413577 572695301 /nfs/dbraw/zinc/69/53/01/572695301.db2.gz GSHDWEYEWRGSCE-LLVKDONJSA-N 0 0 195.265 3.775 10 30 AHEERN C[C@H](C#N)c1ccc(F)c2ccccc21 ZINC000238413909 572696138 /nfs/dbraw/zinc/69/61/38/572696138.db2.gz VMHAMRMHXMSGGD-SECBINFHSA-N 0 0 199.228 3.606 10 30 AHEERN C=CC[C@H](O)C[C@H](C)CCCC(=C)C ZINC000238415344 572696262 /nfs/dbraw/zinc/69/62/62/572696262.db2.gz SVFAEBNKGFERAM-OLZOCXBDSA-N 0 0 196.334 3.696 10 30 AHEERN C=CC[C@@H](O)C[C@H](C)CCCC(=C)C ZINC000238415364 572696105 /nfs/dbraw/zinc/69/61/05/572696105.db2.gz SVFAEBNKGFERAM-CHWSQXEVSA-N 0 0 196.334 3.696 10 30 AHEERN C=C(C)CCC[C@@H](C)[C@@H](C)CC=O ZINC000238415390 572694006 /nfs/dbraw/zinc/69/40/06/572694006.db2.gz XOTSXNDGKBZHAH-NEPJUHHUSA-N 0 0 182.307 3.594 10 30 AHEERN C=C(C)CCC[C@@H](C)[C@H](C)CC=O ZINC000238415406 572695196 /nfs/dbraw/zinc/69/51/96/572695196.db2.gz XOTSXNDGKBZHAH-VXGBXAGGSA-N 0 0 182.307 3.594 10 30 AHEERN CC(C)=CCCC[C@@H](C)CCC=O ZINC000238416139 573231528 /nfs/dbraw/zinc/23/15/28/573231528.db2.gz HPALHGKSKAANHP-GFCCVEGCSA-N 0 0 182.307 3.738 10 30 AHEERN CC(C)=CCC[C@H](C)C(C)(C)C=O ZINC000238418465 573498545 /nfs/dbraw/zinc/49/85/45/573498545.db2.gz AZISLIPJFGTAJR-NSHDSACASA-N 0 0 182.307 3.594 10 30 AHEERN CC(C)=CCC[C@H](C)[C@@H](C)CC=O ZINC000238419263 572701056 /nfs/dbraw/zinc/70/10/56/572701056.db2.gz KZLMOSWLSMUJTL-RYUDHWBXSA-N 0 0 182.307 3.594 10 30 AHEERN CC(C)=CCC[C@H](C)[C@H](C)CC=O ZINC000238419428 573244310 /nfs/dbraw/zinc/24/43/10/573244310.db2.gz KZLMOSWLSMUJTL-NWDGAFQWSA-N 0 0 182.307 3.594 10 30 AHEERN C=C(C)CCC[C@H](C)[C@@H](C)CC=O ZINC000238422226 573254124 /nfs/dbraw/zinc/25/41/24/573254124.db2.gz XOTSXNDGKBZHAH-RYUDHWBXSA-N 0 0 182.307 3.594 10 30 AHEERN CC(C)=CCCC[C@H](C)CCC=O ZINC000238422832 573263984 /nfs/dbraw/zinc/26/39/84/573263984.db2.gz HPALHGKSKAANHP-LBPRGKRZSA-N 0 0 182.307 3.738 10 30 AHEERN C=CCC[C@@H](O)[C@H](C)C1CCCCC1 ZINC000238433073 572704777 /nfs/dbraw/zinc/70/47/77/572704777.db2.gz WXWSNKVNMUIWKT-DGCLKSJQSA-N 0 0 196.334 3.530 10 30 AHEERN C=C[C@@H](C)C(C)(C)Nc1ccccc1 ZINC000238434492 573540673 /nfs/dbraw/zinc/54/06/73/573540673.db2.gz XJFLYMAOMSCVNJ-LLVKDONJSA-N 0 0 189.302 3.699 10 30 AHEERN C=C[C@@H](C)[C@@]1(C=O)CCC(=C(C)C)C1 ZINC000238436546 573545807 /nfs/dbraw/zinc/54/58/07/573545807.db2.gz BZWDYJVPNMJPTC-YPMHNXCESA-N 0 0 192.302 3.514 10 30 AHEERN C=C[C@@H](C)[C@]1(C=O)CCC(=C(C)C)C1 ZINC000238438618 573554846 /nfs/dbraw/zinc/55/48/46/573554846.db2.gz BZWDYJVPNMJPTC-DGCLKSJQSA-N 0 0 192.302 3.514 10 30 AHEERN C=C[C@@H](C)c1cc(Cl)cc(C)c1O ZINC000238439199 573556903 /nfs/dbraw/zinc/55/69/03/573556903.db2.gz QLXGUCUARSTEKG-SSDOTTSWSA-N 0 0 196.677 3.644 10 30 AHEERN C=C(C)CCC[C@@H](C(=C)C)[C@H](C)C=O ZINC000238441522 572718152 /nfs/dbraw/zinc/71/81/52/572718152.db2.gz LOMQEXHVRRFYAP-OLZOCXBDSA-N 0 0 194.318 3.760 10 30 AHEERN C[C@H](C=O)CC[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000238442652 573586281 /nfs/dbraw/zinc/58/62/81/573586281.db2.gz PHOXTJCEPVKDHV-VOAKCMCISA-N 0 0 196.334 3.674 10 30 AHEERN C=C(C)CCC[C@H](C(=C)C)[C@H](C)C=O ZINC000238443246 572720743 /nfs/dbraw/zinc/72/07/43/572720743.db2.gz LOMQEXHVRRFYAP-CHWSQXEVSA-N 0 0 194.318 3.760 10 30 AHEERN C=CC[C@]1(C=O)[C@H](C)CCCC1(C)C ZINC000238445485 573578278 /nfs/dbraw/zinc/57/82/78/573578278.db2.gz FZVVJXFAHPQHBC-YPMHNXCESA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@@]1(C=O)[C@H](C)CCCC1(C)C ZINC000238445849 573600977 /nfs/dbraw/zinc/60/09/77/573600977.db2.gz FZVVJXFAHPQHBC-DGCLKSJQSA-N 0 0 194.318 3.594 10 30 AHEERN C=CCCc1[nH]c2ccccc2c1C ZINC000238448083 573610280 /nfs/dbraw/zinc/61/02/80/573610280.db2.gz NWGXAIUDNSKZAS-UHFFFAOYSA-N 0 0 185.270 3.595 10 30 AHEERN C=CCCCc1cc2c(cccc2C)[nH]1 ZINC000238450985 572724791 /nfs/dbraw/zinc/72/47/91/572724791.db2.gz DOQQHDUNPNGBRB-UHFFFAOYSA-N 0 0 199.297 3.985 10 30 AHEERN C[C@@H]1[C@H](C(C)(C)C)CCC[C@@]1(C)C=O ZINC000238452891 573622323 /nfs/dbraw/zinc/62/23/23/573622323.db2.gz PMLBOYJKAVWNTC-WZRBSPASSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCC/C=C/C=C(\C)C[C@@H](C)C=O ZINC000238464319 572731215 /nfs/dbraw/zinc/73/12/15/572731215.db2.gz OJEUROWIEWPXRB-SVILMJEVSA-N 0 0 192.302 3.680 10 30 AHEERN C[C@H](CC=O)C1CCCCCCC1 ZINC000238468820 573678699 /nfs/dbraw/zinc/67/86/99/573678699.db2.gz WBOTZINYIPQVCC-LLVKDONJSA-N 0 0 182.307 3.572 10 30 AHEERN C[C@H]1CC=C(CCC=O)[C@@H](C)C1(C)C ZINC000238468872 573680129 /nfs/dbraw/zinc/68/01/29/573680129.db2.gz YCCLYTBAVIHNQL-WDEREUQCSA-N 0 0 194.318 3.594 10 30 AHEERN C[C@H]1C(CCC=O)=CC[C@H](C)C1(C)C ZINC000238468887 573679929 /nfs/dbraw/zinc/67/99/29/573679929.db2.gz YCCLYTBAVIHNQL-QWRGUYRKSA-N 0 0 194.318 3.594 10 30 AHEERN C=CCc1c(O)cc(C)c2ccccc21 ZINC000238469314 572737364 /nfs/dbraw/zinc/73/73/64/572737364.db2.gz XRJAHXRIDZSXNK-UHFFFAOYSA-N 0 0 198.265 3.582 10 30 AHEERN C=CCc1cc(C)c2ccccc2c1O ZINC000238474426 572741599 /nfs/dbraw/zinc/74/15/99/572741599.db2.gz MJJFRNAVLOMILL-UHFFFAOYSA-N 0 0 198.265 3.582 10 30 AHEERN C=C/C(C)=C\C[C@@H]1CCC[C@H]1CC=O ZINC000238475690 572736504 /nfs/dbraw/zinc/73/65/04/572736504.db2.gz NDSWHXNBPWEZAU-LVRHIEOCSA-N 0 0 192.302 3.514 10 30 AHEERN Cc1cc(N=[N+]=[N-])c2cccc(C)c2n1 ZINC000238479245 572739565 /nfs/dbraw/zinc/73/95/65/572739565.db2.gz AGKYSIPLHDTYEC-UHFFFAOYSA-N 0 0 198.229 3.793 10 30 AHEERN C/C1=C/CCC/C=C/[C@@H](CC=O)CC1 ZINC000238483493 573704428 /nfs/dbraw/zinc/70/44/28/573704428.db2.gz ZZTYCFYGUOGZMP-QGHMNQQISA-N 0 0 192.302 3.658 10 30 AHEERN CC1=C(CCCCC=O)[C@@H](C)CCC1 ZINC000238485487 573645457 /nfs/dbraw/zinc/64/54/57/573645457.db2.gz ULWOQBXCRIXLRN-NSHDSACASA-N 0 0 194.318 3.882 10 30 AHEERN C=CCCc1cc2c(cc(C)cc2C)[nH]1 ZINC000238498364 572748930 /nfs/dbraw/zinc/74/89/30/572748930.db2.gz LBFYQZLZMRRXAO-UHFFFAOYSA-N 0 0 199.297 3.903 10 30 AHEERN Cc1ccccc1-c1ccc(C#N)s1 ZINC000238499406 573756307 /nfs/dbraw/zinc/75/63/07/573756307.db2.gz LOMYPNDTTLFTNE-UHFFFAOYSA-N 0 0 199.278 3.595 10 30 AHEERN Cc1ccccc1-c1csc(C#N)c1 ZINC000238500321 573741396 /nfs/dbraw/zinc/74/13/96/573741396.db2.gz NZNWLYLOMZHOJS-UHFFFAOYSA-N 0 0 199.278 3.595 10 30 AHEERN C=CCCCc1cc2cc(C)ccc2[nH]1 ZINC000238509432 572752211 /nfs/dbraw/zinc/75/22/11/572752211.db2.gz HJWUBOZXHGQOIO-UHFFFAOYSA-N 0 0 199.297 3.985 10 30 AHEERN C=CC(C)(C)Nc1c(C)cccc1C ZINC000238509733 573769170 /nfs/dbraw/zinc/76/91/70/573769170.db2.gz DCCNRYWUBCRQCX-UHFFFAOYSA-N 0 0 189.302 3.680 10 30 AHEERN C#Cc1ccc2scc(Cl)c2c1 ZINC000238513991 573801690 /nfs/dbraw/zinc/80/16/90/573801690.db2.gz HGCHLDCRTVWTOK-UHFFFAOYSA-N 0 0 192.670 3.536 10 30 AHEERN Cc1ccc(N=[N+]=[N-])c(N=[N+]=[N-])c1 ZINC000238516007 573804699 /nfs/dbraw/zinc/80/46/99/573804699.db2.gz GTYVZKJVHNHBNK-UHFFFAOYSA-N 0 0 174.167 3.879 10 30 AHEERN C=CCCCCNc1ccc(C)cc1 ZINC000238520723 572757847 /nfs/dbraw/zinc/75/78/47/572757847.db2.gz WFWQMNDIINRVPC-UHFFFAOYSA-N 0 0 189.302 3.763 10 30 AHEERN Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000238522655 573816406 /nfs/dbraw/zinc/81/64/06/573816406.db2.gz UDNDFFGDIBRHEH-UHFFFAOYSA-N 0 0 199.278 3.595 10 30 AHEERN C=CCc1cc(C)c(O)c2ccccc12 ZINC000238522983 572755682 /nfs/dbraw/zinc/75/56/82/572755682.db2.gz XAILUHPEIYJXDT-UHFFFAOYSA-N 0 0 198.265 3.582 10 30 AHEERN Cc1cccc(-c2csc(C#N)c2)c1 ZINC000238524589 573826616 /nfs/dbraw/zinc/82/66/16/573826616.db2.gz GVHVDRRBPOIGSK-UHFFFAOYSA-N 0 0 199.278 3.595 10 30 AHEERN C=CCCCc1cc2ccc(C)cc2[nH]1 ZINC000238525637 572759453 /nfs/dbraw/zinc/75/94/53/572759453.db2.gz SSIOQUYSIVUDTJ-UHFFFAOYSA-N 0 0 199.297 3.985 10 30 AHEERN Cc1cccc(N=[N+]=[N-])c1N=[N+]=[N-] ZINC000238532384 573834464 /nfs/dbraw/zinc/83/44/64/573834464.db2.gz DLSOSJOHSVJDSE-UHFFFAOYSA-N 0 0 174.167 3.879 10 30 AHEERN C=CCc1cc(O)c(C)c2ccccc12 ZINC000238537626 572782188 /nfs/dbraw/zinc/78/21/88/572782188.db2.gz VJQQGLNMJJQVGD-UHFFFAOYSA-N 0 0 198.265 3.582 10 30 AHEERN N#CCC1CCC(c2ccccc2)CC1 ZINC000238543533 572788333 /nfs/dbraw/zinc/78/83/33/572788333.db2.gz BHXIUACAJJJYHH-UHFFFAOYSA-N 0 0 199.297 3.874 10 30 AHEERN FC(F)(F)C#CCC1CCCCC1 ZINC000238548728 573868611 /nfs/dbraw/zinc/86/86/11/573868611.db2.gz VEYCHPGKRHELMJ-UHFFFAOYSA-N 0 0 190.208 3.523 10 30 AHEERN C=CC(C)(C)Nc1cc(C)cc(C)c1 ZINC000238549276 573868107 /nfs/dbraw/zinc/86/81/07/573868107.db2.gz YALCPFOCQLRSHJ-UHFFFAOYSA-N 0 0 189.302 3.680 10 30 AHEERN C=CCc1cc2c(C)coc2c(F)c1 ZINC000238550158 573872192 /nfs/dbraw/zinc/87/21/92/573872192.db2.gz ANBNJVOXBRCDKB-UHFFFAOYSA-N 0 0 190.217 3.609 10 30 AHEERN C=CCc1ccc2scc(C)c2c1 ZINC000238555292 573885620 /nfs/dbraw/zinc/88/56/20/573885620.db2.gz CQRNLDJHTUCBIO-UHFFFAOYSA-N 0 0 188.295 3.938 10 30 AHEERN C=CC[C@@H](O)CCCCC1=CCCC1 ZINC000238667157 572358223 /nfs/dbraw/zinc/35/82/23/572358223.db2.gz YCEVBGZVPCJQGR-CYBMUJFWSA-N 0 0 194.318 3.594 10 30 AHEERN C=CCCCC[C@H](O)C1CCCCC1 ZINC000238667258 572356704 /nfs/dbraw/zinc/35/67/04/572356704.db2.gz GEPXQLVUEPMXLR-ZDUSSCGKSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCCCCCCC[C@H](O)CC=C ZINC000238667700 572357265 /nfs/dbraw/zinc/35/72/65/572357265.db2.gz PLLTXOFMQYNFMW-CYBMUJFWSA-N 0 0 196.334 3.840 10 30 AHEERN C=CCCc1cc(O)c2ccccc2c1 ZINC000238685444 572388903 /nfs/dbraw/zinc/38/89/03/572388903.db2.gz CEQFUXSYRQMRBL-UHFFFAOYSA-N 0 0 198.265 3.664 10 30 AHEERN C=CC[C@H](O)CCCCC1=CCCC1 ZINC000238701436 572389925 /nfs/dbraw/zinc/38/99/25/572389925.db2.gz YCEVBGZVPCJQGR-ZDUSSCGKSA-N 0 0 194.318 3.594 10 30 AHEERN C=CCCCCCCC[C@@H](O)CC=C ZINC000238701721 572398855 /nfs/dbraw/zinc/39/88/55/572398855.db2.gz PLLTXOFMQYNFMW-ZDUSSCGKSA-N 0 0 196.334 3.840 10 30 AHEERN C=CCCCC[C@@H](CO)CCCC=C ZINC000238701992 572398760 /nfs/dbraw/zinc/39/87/60/572398760.db2.gz ALAFWLSALBCNFO-ZDUSSCGKSA-N 0 0 196.334 3.698 10 30 AHEERN C=C([C@H](O)CCCC)C1CCCCC1 ZINC000238794052 572412286 /nfs/dbraw/zinc/41/22/86/572412286.db2.gz WSZCEXOJZUJNDP-CYBMUJFWSA-N 0 0 196.334 3.674 10 30 AHEERN C=C(C)CCCC(=C)[C@H](O)CCCC ZINC000238794056 572413312 /nfs/dbraw/zinc/41/33/12/572413312.db2.gz JXWMHYGGSSSPDP-CYBMUJFWSA-N 0 0 196.334 3.840 10 30 AHEERN C=C(C)CC/C=C(\C)[C@H](O)CCCC ZINC000238794112 572412592 /nfs/dbraw/zinc/41/25/92/572412592.db2.gz KZENCCVRYWTOAR-CNELAYHGSA-N 0 0 196.334 3.840 10 30 AHEERN C=C(C)/C=C/C[C@H](C)[C@H](O)CCCC ZINC000238794239 572413701 /nfs/dbraw/zinc/41/37/01/572413701.db2.gz UIGBBZYNXSXHTI-AHYBDNRGSA-N 0 0 196.334 3.696 10 30 AHEERN C=CCCCC/C=C/[C@H](O)CCCC ZINC000238794432 572417836 /nfs/dbraw/zinc/41/78/36/572417836.db2.gz XQKXZYWNFUTPBD-RSKUSDAESA-N 0 0 196.334 3.840 10 30 AHEERN CCC[C@@H](CC=O)C1CCCCC1 ZINC000238795230 572409118 /nfs/dbraw/zinc/40/91/18/572409118.db2.gz HYVTZUNICUOGHX-NSHDSACASA-N 0 0 182.307 3.572 10 30 AHEERN C=C=C(C)[C@@](C=O)(CC)CCCC ZINC000238796068 573294173 /nfs/dbraw/zinc/29/41/73/573294173.db2.gz LUEAXYYPVLBENH-LBPRGKRZSA-N 0 0 180.291 3.503 10 30 AHEERN C=C[C@H](C)[C@@](C=O)(CC)CCCC ZINC000238796070 572423630 /nfs/dbraw/zinc/42/36/30/572423630.db2.gz ZOYPCEDGPZDPSD-RYUDHWBXSA-N 0 0 182.307 3.594 10 30 AHEERN CCCC[C@](C=O)(CC)[C@@H](C)CC ZINC000238796072 572423713 /nfs/dbraw/zinc/42/37/13/572423713.db2.gz VUELJIINEAZNEZ-RYUDHWBXSA-N 0 0 184.323 3.818 10 30 AHEERN C=C[C@@H](C)[C@@](C=O)(CC)CCCC ZINC000238796074 572422612 /nfs/dbraw/zinc/42/26/12/572422612.db2.gz ZOYPCEDGPZDPSD-NEPJUHHUSA-N 0 0 182.307 3.594 10 30 AHEERN CCCC[C@](C=O)(CC)[C@H](C)CC ZINC000238796075 572422466 /nfs/dbraw/zinc/42/24/66/572422466.db2.gz VUELJIINEAZNEZ-NEPJUHHUSA-N 0 0 184.323 3.818 10 30 AHEERN CCCC[C@H](C)[C@@H](C=O)[C@@H](C)CC ZINC000238797110 572420656 /nfs/dbraw/zinc/42/06/56/572420656.db2.gz OGSOZHXYGFFRFQ-SRVKXCTJSA-N 0 0 184.323 3.674 10 30 AHEERN CCCC[C@H](C)[C@H](C=O)[C@@H](C)CC ZINC000238797154 572419018 /nfs/dbraw/zinc/41/90/18/572419018.db2.gz OGSOZHXYGFFRFQ-SDDRHHMPSA-N 0 0 184.323 3.674 10 30 AHEERN C=C[C@@H](CCCC)c1ccccc1N ZINC000238797302 572420952 /nfs/dbraw/zinc/42/09/52/572420952.db2.gz RJJGVBAPBSXLAE-NSHDSACASA-N 0 0 189.302 3.729 10 30 AHEERN C=C[C@@H](CCC)[C@@H](C=O)CCCC ZINC000238797322 572420262 /nfs/dbraw/zinc/42/02/62/572420262.db2.gz WFSUGMPCOYTFQG-NWDGAFQWSA-N 0 0 182.307 3.594 10 30 AHEERN CCCC[C@@H](C#CC(F)(F)F)CC ZINC000238797391 572419982 /nfs/dbraw/zinc/41/99/82/572419982.db2.gz BFTHMYZMUCKMBY-VIFPVBQESA-N 0 0 192.224 3.769 10 30 AHEERN CCCC[C@H](CC)C(=O)/C=C/Cl ZINC000238797412 572419889 /nfs/dbraw/zinc/41/98/89/572419889.db2.gz ADIBVMDRLWTYFM-FLOXNTQESA-N 0 0 188.698 3.524 10 30 AHEERN C=CCc1ccc(O)c([C@H](C)CC)c1 ZINC000238798648 572417846 /nfs/dbraw/zinc/41/78/46/572417846.db2.gz PNHOJTIMWOJEDZ-SNVBAGLBSA-N 0 0 190.286 3.634 10 30 AHEERN Cc1c(C#N)cccc1-c1cccs1 ZINC000248052358 573302998 /nfs/dbraw/zinc/30/29/98/573302998.db2.gz AWNMRDKXGSKTMI-UHFFFAOYSA-N 0 0 199.278 3.595 10 30 AHEERN CCC[C@@H]1CC[C@@H]2CCCC[C@@]12C#N ZINC000251347530 572569058 /nfs/dbraw/zinc/56/90/58/572569058.db2.gz NGIXVWLULASAQY-FRRDWIJNSA-N 0 0 191.318 3.897 10 30 AHEERN CCC[C@@H]1CC[C@H]2CCCC[C@@]12C#N ZINC000251347532 572565683 /nfs/dbraw/zinc/56/56/83/572565683.db2.gz NGIXVWLULASAQY-JHJVBQTASA-N 0 0 191.318 3.897 10 30 AHEERN CC[C@@H]1CC[C@@H]2CCCC[C@@]12C#N ZINC000251688136 572611478 /nfs/dbraw/zinc/61/14/78/572611478.db2.gz PSMKEHHMAXRSHR-GRYCIOLGSA-N 0 0 177.291 3.507 10 30 AHEERN CC[C@@H]1CC[C@H]2CCCC[C@@]12C#N ZINC000251688138 572610861 /nfs/dbraw/zinc/61/08/61/572610861.db2.gz PSMKEHHMAXRSHR-IJLUTSLNSA-N 0 0 177.291 3.507 10 30 AHEERN CC(C)[C@H]1CC[C@@H](C)C[C@]1(Cl)C#N ZINC000252174408 344889599 /nfs/dbraw/zinc/88/95/99/344889599.db2.gz RSMJBPWZSVUFGR-MXWKQRLJSA-N 0 0 199.725 3.580 10 30 AHEERN CC(C)[C@@H]1CC[C@@H](C)C[C@]1(Cl)C#N ZINC000252174409 344889644 /nfs/dbraw/zinc/88/96/44/344889644.db2.gz RSMJBPWZSVUFGR-VWYCJHECSA-N 0 0 199.725 3.580 10 30 AHEERN CCCCCC[C@H]1CCCC1=NO ZINC000254343757 572731046 /nfs/dbraw/zinc/73/10/46/572731046.db2.gz YALLFRVQSAQFHW-JTQLQIEISA-N 0 0 183.295 3.587 10 30 AHEERN CCCCCC[C@@H]1CCCC1=NO ZINC000254343758 572728010 /nfs/dbraw/zinc/72/80/10/572728010.db2.gz YALLFRVQSAQFHW-SNVBAGLBSA-N 0 0 183.295 3.587 10 30 AHEERN Cc1ccc(C=Nc2ccc(C)cc2)o1 ZINC000254348757 572729507 /nfs/dbraw/zinc/72/95/07/572729507.db2.gz FMZVUQPKTKKTTJ-UHFFFAOYSA-N 0 0 199.253 3.647 10 30 AHEERN Cc1cccc(N=Cc2ccco2)c1C ZINC000254493615 572739310 /nfs/dbraw/zinc/73/93/10/572739310.db2.gz WRLWGHDQPWEHCU-UHFFFAOYSA-N 0 0 199.253 3.647 10 30 AHEERN CC=Nc1ccc(Cl)c(Cl)c1 ZINC000254761595 572744584 /nfs/dbraw/zinc/74/45/84/572744584.db2.gz FGOPWXQNYLMJLZ-UHFFFAOYSA-N 0 0 188.057 3.716 10 30 AHEERN Cc1cc(C)cc(N=Cc2ccco2)c1 ZINC000254815793 572744589 /nfs/dbraw/zinc/74/45/89/572744589.db2.gz FEMFRPXZYKXVQY-UHFFFAOYSA-N 0 0 199.253 3.647 10 30 AHEERN Cc1ccc(N=Cc2ccco2)c(C)c1 ZINC000254819882 572745279 /nfs/dbraw/zinc/74/52/79/572745279.db2.gz MXUPSWITNAWTCS-UHFFFAOYSA-N 0 0 199.253 3.647 10 30 AHEERN Cc1ccc(C=Nc2ccccc2)cc1 ZINC000254833400 573638469 /nfs/dbraw/zinc/63/84/69/573638469.db2.gz PCICJNSIYHONRK-UHFFFAOYSA-N 0 0 195.265 3.746 10 30 AHEERN Cc1ccccc1N=Cc1ccccc1 ZINC000254872484 171187392 /nfs/dbraw/zinc/18/73/92/171187392.db2.gz PUUAIRXOPHLROM-UHFFFAOYSA-N 0 0 195.265 3.746 10 30 AHEERN C=C(C)/C=C/c1cccc2cc[nH]c21 ZINC000256001007 166111670 /nfs/dbraw/zinc/11/16/70/166111670.db2.gz SDRDEFUKUVGOTP-VOTSOKGWSA-N 0 0 183.254 3.757 10 30 AHEERN CC(=Nc1ccccc1)c1ccccc1 ZINC000256081186 166229881 /nfs/dbraw/zinc/22/98/81/166229881.db2.gz CBXWICRJSHEQJT-UHFFFAOYSA-N 0 0 195.265 3.827 10 30 AHEERN C[C@H](C=O)CC[C@H]1CC[C@H](C)C1(C)C ZINC000256081255 573978384 /nfs/dbraw/zinc/97/83/84/573978384.db2.gz GUYGVAVSYCHUCB-SRVKXCTJSA-N 0 0 196.334 3.674 10 30 AHEERN CC1=CC[C@H]([C@@H](C)C[C@H](C)C=O)CC1 ZINC000256081432 573976746 /nfs/dbraw/zinc/97/67/46/573976746.db2.gz NFPDNGNDFHNRDX-AVGNSLFASA-N 0 0 194.318 3.594 10 30 AHEERN CC(C)(F)[C@H](C#N)C1CCCCCC1 ZINC000257816386 573447727 /nfs/dbraw/zinc/44/77/27/573447727.db2.gz DKJXYMMVPBTFQP-LLVKDONJSA-N 0 0 197.297 3.845 10 30 AHEERN CC(C)(F)[C@@H](C#N)C1CCCCCC1 ZINC000257816387 573446372 /nfs/dbraw/zinc/44/63/72/573446372.db2.gz DKJXYMMVPBTFQP-NSHDSACASA-N 0 0 197.297 3.845 10 30 AHEERN C[C@H](F)[C@@H](CC#N)C1CCCCCC1 ZINC000257831976 573572067 /nfs/dbraw/zinc/57/20/67/573572067.db2.gz JQCBQDUGKKDILX-CMPLNLGQSA-N 0 0 197.297 3.845 10 30 AHEERN C[C@H](F)[C@H](CC#N)C1CCCCCC1 ZINC000257831978 573568604 /nfs/dbraw/zinc/56/86/04/573568604.db2.gz JQCBQDUGKKDILX-JQWIXIFHSA-N 0 0 197.297 3.845 10 30 AHEERN C[C@@H](F)[C@H](CC#N)C1CCCCCC1 ZINC000257831980 573571419 /nfs/dbraw/zinc/57/14/19/573571419.db2.gz JQCBQDUGKKDILX-PWSUYJOCSA-N 0 0 197.297 3.845 10 30 AHEERN C[C@@H](F)[C@@H](CC#N)C1CCCCCC1 ZINC000257831982 573570110 /nfs/dbraw/zinc/57/01/10/573570110.db2.gz JQCBQDUGKKDILX-ZYHUDNBSSA-N 0 0 197.297 3.845 10 30 AHEERN CC(C)(F)[C@H](CC#N)C1CCCCC1 ZINC000257833817 573592641 /nfs/dbraw/zinc/59/26/41/573592641.db2.gz KFPOIXXDPRICRL-LLVKDONJSA-N 0 0 197.297 3.845 10 30 AHEERN CC(C)(F)[C@@H](CC#N)C1CCCCC1 ZINC000257833819 573592617 /nfs/dbraw/zinc/59/26/17/573592617.db2.gz KFPOIXXDPRICRL-NSHDSACASA-N 0 0 197.297 3.845 10 30 AHEERN Cc1cccc2scc(CS)c21 ZINC000257854224 573717617 /nfs/dbraw/zinc/71/76/17/573717617.db2.gz CUXQVEFZFMXFRU-UHFFFAOYSA-N 0 0 194.324 3.640 10 30 AHEERN Cc1cccc2c(CS)csc21 ZINC000257875851 573776967 /nfs/dbraw/zinc/77/69/67/573776967.db2.gz JCNYPYPGDQWKQQ-UHFFFAOYSA-N 0 0 194.324 3.640 10 30 AHEERN Cc1ccc2scc(CS)c2c1 ZINC000257881326 573815039 /nfs/dbraw/zinc/81/50/39/573815039.db2.gz KFSZGMAOFARDIV-UHFFFAOYSA-N 0 0 194.324 3.640 10 30 AHEERN Cc1ccc2sc(CS)cc2c1 ZINC000257882461 573811841 /nfs/dbraw/zinc/81/18/41/573811841.db2.gz KIWAAOBWVUPKFG-UHFFFAOYSA-N 0 0 194.324 3.640 10 30 AHEERN Cc1cccc2sc(CS)cc21 ZINC000257892597 573878790 /nfs/dbraw/zinc/87/87/90/573878790.db2.gz MNNTYLHSIYPABU-UHFFFAOYSA-N 0 0 194.324 3.640 10 30 AHEERN Cc1ccc2c(CS)csc2c1 ZINC000257895565 573876438 /nfs/dbraw/zinc/87/64/38/573876438.db2.gz NDXGLHJUEBNTRI-UHFFFAOYSA-N 0 0 194.324 3.640 10 30 AHEERN Cc1ccc2cc(CS)sc2c1 ZINC000257914625 573949922 /nfs/dbraw/zinc/94/99/22/573949922.db2.gz QGVQDNBTLGFSGO-UHFFFAOYSA-N 0 0 194.324 3.640 10 30 AHEERN Cc1cccc2cc(CS)sc21 ZINC000257933658 573041992 /nfs/dbraw/zinc/04/19/92/573041992.db2.gz UFVYJUGXSMIJPU-UHFFFAOYSA-N 0 0 194.324 3.640 10 30 AHEERN SCc1cc2cccc(Cl)c2o1 ZINC000257939913 573074122 /nfs/dbraw/zinc/07/41/22/573074122.db2.gz VCNDIBAVWBJOBC-UHFFFAOYSA-N 0 0 198.674 3.516 10 30 AHEERN SCc1coc2ccc(Cl)cc12 ZINC000257944031 573113627 /nfs/dbraw/zinc/11/36/27/573113627.db2.gz GJEPZIRQYPWLLV-UHFFFAOYSA-N 0 0 198.674 3.516 10 30 AHEERN CCC(CC)c1ccc(C#N)cc1F ZINC000257967084 573196122 /nfs/dbraw/zinc/19/61/22/573196122.db2.gz CMFVWLCSQLNGCP-UHFFFAOYSA-N 0 0 191.249 3.601 10 30 AHEERN SCc1coc2c1cccc2Cl ZINC000257973231 573214900 /nfs/dbraw/zinc/21/49/00/573214900.db2.gz IXWNSZLCKJGXCP-UHFFFAOYSA-N 0 0 198.674 3.516 10 30 AHEERN SCc1cc2ccc(Cl)cc2o1 ZINC000257982127 573263675 /nfs/dbraw/zinc/26/36/75/573263675.db2.gz JOKHDXLCTUGSEY-UHFFFAOYSA-N 0 0 198.674 3.516 10 30 AHEERN SCc1cc2cc(Cl)ccc2o1 ZINC000257995875 573293221 /nfs/dbraw/zinc/29/32/21/573293221.db2.gz KRGITOILZBMZRY-UHFFFAOYSA-N 0 0 198.674 3.516 10 30 AHEERN N#Cc1cccc(C2CCCCCC2)c1 ZINC000257998125 573293567 /nfs/dbraw/zinc/29/35/67/573293567.db2.gz BUTXWNRHUNUDGY-UHFFFAOYSA-N 0 0 199.297 3.996 10 30 AHEERN CC1CCC(c2ccccc2C#N)CC1 ZINC000258079156 573674945 /nfs/dbraw/zinc/67/49/45/573674945.db2.gz IQJXFOVVNLGOPD-UHFFFAOYSA-N 0 0 199.297 3.852 10 30 AHEERN N#Cc1ccccc1C1CCCCCC1 ZINC000258105996 573722269 /nfs/dbraw/zinc/72/22/69/573722269.db2.gz KZXVJQBTBBASHA-UHFFFAOYSA-N 0 0 199.297 3.996 10 30 AHEERN SCc1coc2cc(Cl)ccc12 ZINC000258176702 573904107 /nfs/dbraw/zinc/90/41/07/573904107.db2.gz YLKZGRKKTRNIRR-UHFFFAOYSA-N 0 0 198.674 3.516 10 30 AHEERN N#Cc1ccc(C2CCCCCC2)cc1 ZINC000258245294 573250695 /nfs/dbraw/zinc/25/06/95/573250695.db2.gz XDQCWKPRLWXTKA-UHFFFAOYSA-N 0 0 199.297 3.996 10 30 AHEERN SCc1coc2cccc(Cl)c12 ZINC000258642397 573376992 /nfs/dbraw/zinc/37/69/92/573376992.db2.gz LMWNSQGNHZCGEY-UHFFFAOYSA-N 0 0 198.674 3.516 10 30 AHEERN CC(C)CC12CCC(C#N)(CC1)CC2 ZINC000258701099 573497190 /nfs/dbraw/zinc/49/71/90/573497190.db2.gz XVTZNTMHALHZCX-UHFFFAOYSA-N 0 0 191.318 3.897 10 30 AHEERN CC(C)C12CCC(C#N)(CC1)CC2 ZINC000258722734 573512696 /nfs/dbraw/zinc/51/26/96/573512696.db2.gz ZUMQFUBMTPYUPV-UHFFFAOYSA-N 0 0 177.291 3.507 10 30 AHEERN CC(C)(S)CC1CCCCC1 ZINC000258733891 573518705 /nfs/dbraw/zinc/51/87/05/573518705.db2.gz IZMKCLVOWPJDMK-UHFFFAOYSA-N 0 0 172.337 3.665 10 30 AHEERN Cc1ccc(C)c(CC(C)(C)S)c1 ZINC000258890399 573712534 /nfs/dbraw/zinc/71/25/34/573712534.db2.gz UCNNJWCMPVVWQE-UHFFFAOYSA-N 0 0 194.343 3.554 10 30 AHEERN CCCc1ccc([C@@H]2C[C@@]2(C)C#N)cc1 ZINC000258930674 573763497 /nfs/dbraw/zinc/76/34/97/573763497.db2.gz APDAPYOGCYQCCH-KBPBESRZSA-N 0 0 199.297 3.656 10 30 AHEERN CCCc1ccc([C@H]2C[C@@]2(C)C#N)cc1 ZINC000258930676 573763695 /nfs/dbraw/zinc/76/36/95/573763695.db2.gz APDAPYOGCYQCCH-KGLIPLIRSA-N 0 0 199.297 3.656 10 30 AHEERN CCCc1ccc([C@@H]2C[C@]2(C)C#N)cc1 ZINC000258930678 573763010 /nfs/dbraw/zinc/76/30/10/573763010.db2.gz APDAPYOGCYQCCH-UONOGXRCSA-N 0 0 199.297 3.656 10 30 AHEERN CCCc1ccc([C@H]2C[C@]2(C)C#N)cc1 ZINC000258930681 573761922 /nfs/dbraw/zinc/76/19/22/573761922.db2.gz APDAPYOGCYQCCH-ZIAGYGMSSA-N 0 0 199.297 3.656 10 30 AHEERN N#CCCC(F)(F)C1CCCCC1 ZINC000258932763 573771193 /nfs/dbraw/zinc/77/11/93/573771193.db2.gz BAEAHXVILPSKDN-UHFFFAOYSA-N 0 0 187.233 3.506 10 30 AHEERN Cc1cc(C)c([C@H]2C[C@@]2(C)C#N)cc1C ZINC000258946571 573785724 /nfs/dbraw/zinc/78/57/24/573785724.db2.gz DIHMSJFSWFFOEO-KGLIPLIRSA-N 0 0 199.297 3.629 10 30 AHEERN Cc1cc(C)c([C@@H]2C[C@]2(C)C#N)cc1C ZINC000258946573 573786284 /nfs/dbraw/zinc/78/62/84/573786284.db2.gz DIHMSJFSWFFOEO-UONOGXRCSA-N 0 0 199.297 3.629 10 30 AHEERN Cc1cc(C)c([C@H]2C[C@]2(C)C#N)cc1C ZINC000258946576 573785083 /nfs/dbraw/zinc/78/50/83/573785083.db2.gz DIHMSJFSWFFOEO-ZIAGYGMSSA-N 0 0 199.297 3.629 10 30 AHEERN CC(C)c1ccc([C@@H]2C[C@@]2(C)C#N)cc1 ZINC000258954760 573802389 /nfs/dbraw/zinc/80/23/89/573802389.db2.gz FQTILQSPVWSEEG-KBPBESRZSA-N 0 0 199.297 3.827 10 30 AHEERN CC(C)c1ccc([C@H]2C[C@@]2(C)C#N)cc1 ZINC000258954762 573803299 /nfs/dbraw/zinc/80/32/99/573803299.db2.gz FQTILQSPVWSEEG-KGLIPLIRSA-N 0 0 199.297 3.827 10 30 AHEERN CC(C)c1ccc([C@@H]2C[C@]2(C)C#N)cc1 ZINC000258954764 573802598 /nfs/dbraw/zinc/80/25/98/573802598.db2.gz FQTILQSPVWSEEG-UONOGXRCSA-N 0 0 199.297 3.827 10 30 AHEERN CC(C)c1ccc([C@H]2C[C@]2(C)C#N)cc1 ZINC000258954767 573802646 /nfs/dbraw/zinc/80/26/46/573802646.db2.gz FQTILQSPVWSEEG-ZIAGYGMSSA-N 0 0 199.297 3.827 10 30 AHEERN CC(C)c1ccc([C@]2(C)C[C@H]2C#N)cc1 ZINC000258970918 573845910 /nfs/dbraw/zinc/84/59/10/573845910.db2.gz IEFCHMGPDZFUKU-KBPBESRZSA-N 0 0 199.297 3.611 10 30 AHEERN CC(C)c1ccc([C@]2(C)C[C@@H]2C#N)cc1 ZINC000258970933 573850026 /nfs/dbraw/zinc/85/00/26/573850026.db2.gz IEFCHMGPDZFUKU-KGLIPLIRSA-N 0 0 199.297 3.611 10 30 AHEERN CC(C)c1ccc([C@@]2(C)C[C@H]2C#N)cc1 ZINC000258970939 573849067 /nfs/dbraw/zinc/84/90/67/573849067.db2.gz IEFCHMGPDZFUKU-UONOGXRCSA-N 0 0 199.297 3.611 10 30 AHEERN CC(C)c1ccc([C@@]2(C)C[C@@H]2C#N)cc1 ZINC000258970943 573847959 /nfs/dbraw/zinc/84/79/59/573847959.db2.gz IEFCHMGPDZFUKU-ZIAGYGMSSA-N 0 0 199.297 3.611 10 30 AHEERN CC1(C)C[C@@]1(C#N)C1CCCCC1 ZINC000258982046 573823878 /nfs/dbraw/zinc/82/38/78/573823878.db2.gz JUKVCEPXJAUAQW-GFCCVEGCSA-N 0 0 177.291 3.507 10 30 AHEERN CC1(C)C[C@]1(C#N)C1CCCCC1 ZINC000258982053 573823007 /nfs/dbraw/zinc/82/30/07/573823007.db2.gz JUKVCEPXJAUAQW-LBPRGKRZSA-N 0 0 177.291 3.507 10 30 AHEERN Cc1ccc2cc([C@H](C)C#N)ccc2c1 ZINC000259025416 573948565 /nfs/dbraw/zinc/94/85/65/573948565.db2.gz DHSLWRWAVFUIOB-LLVKDONJSA-N 0 0 195.265 3.775 10 30 AHEERN Cc1ccc2cc([C@@H](C)C#N)ccc2c1 ZINC000259025420 573948559 /nfs/dbraw/zinc/94/85/59/573948559.db2.gz DHSLWRWAVFUIOB-NSHDSACASA-N 0 0 195.265 3.775 10 30 AHEERN CC(C)c1ccc(CC2(C#N)CC2)cc1 ZINC000259043784 573242750 /nfs/dbraw/zinc/24/27/50/573242750.db2.gz FVBXOWLFKJIXFL-UHFFFAOYSA-N 0 0 199.297 3.656 10 30 AHEERN Cc1ccc([C@@H]2C[C@@]2(C)C#N)c(C)c1C ZINC000259050040 573249089 /nfs/dbraw/zinc/24/90/89/573249089.db2.gz VBIMMCIGOKBZNA-KBPBESRZSA-N 0 0 199.297 3.629 10 30 AHEERN Cc1ccc([C@H]2C[C@@]2(C)C#N)c(C)c1C ZINC000259050043 573248971 /nfs/dbraw/zinc/24/89/71/573248971.db2.gz VBIMMCIGOKBZNA-KGLIPLIRSA-N 0 0 199.297 3.629 10 30 AHEERN Cc1ccc([C@@H]2C[C@]2(C)C#N)c(C)c1C ZINC000259050046 573250349 /nfs/dbraw/zinc/25/03/49/573250349.db2.gz VBIMMCIGOKBZNA-UONOGXRCSA-N 0 0 199.297 3.629 10 30 AHEERN Cc1ccc([C@H]2C[C@]2(C)C#N)c(C)c1C ZINC000259050050 573248522 /nfs/dbraw/zinc/24/85/22/573248522.db2.gz VBIMMCIGOKBZNA-ZIAGYGMSSA-N 0 0 199.297 3.629 10 30 AHEERN Cc1cc(C)c([C@@H]2C[C@]2(C)C#N)c(C)c1 ZINC000259054142 573254988 /nfs/dbraw/zinc/25/49/88/573254988.db2.gz VRGQOVIHMHGUPM-GXTWGEPZSA-N 0 0 199.297 3.629 10 30 AHEERN Cc1cc(C)c([C@@H]2C[C@@]2(C)C#N)c(C)c1 ZINC000259054144 573255370 /nfs/dbraw/zinc/25/53/70/573255370.db2.gz VRGQOVIHMHGUPM-JSGCOSHPSA-N 0 0 199.297 3.629 10 30 AHEERN Cc1cc(C)c([C@H]2C[C@@]2(C)C#N)c(C)c1 ZINC000259054146 573256587 /nfs/dbraw/zinc/25/65/87/573256587.db2.gz VRGQOVIHMHGUPM-OCCSQVGLSA-N 0 0 199.297 3.629 10 30 AHEERN Cc1cc(C)c([C@H]2C[C@]2(C)C#N)c(C)c1 ZINC000259054147 573255097 /nfs/dbraw/zinc/25/50/97/573255097.db2.gz VRGQOVIHMHGUPM-TZMCWYRMSA-N 0 0 199.297 3.629 10 30 AHEERN C[C@@H](S)c1ccc2c(c1)CCCC2 ZINC000259060647 573268948 /nfs/dbraw/zinc/26/89/48/573268948.db2.gz BIIDAXLBLDKQAG-SECBINFHSA-N 0 0 192.327 3.556 10 30 AHEERN C[C@H](S)c1ccc2c(c1)CCCC2 ZINC000259060648 573267947 /nfs/dbraw/zinc/26/79/47/573267947.db2.gz BIIDAXLBLDKQAG-VIFPVBQESA-N 0 0 192.327 3.556 10 30 AHEERN Cc1ccc(C(C)(C)S)c(C)c1C ZINC000259081432 573310177 /nfs/dbraw/zinc/31/01/77/573310177.db2.gz CXTKBXQOJZHNRO-UHFFFAOYSA-N 0 0 194.343 3.777 10 30 AHEERN Cc1ccc2cc(CS)ccc2c1 ZINC000259091635 573338117 /nfs/dbraw/zinc/33/81/17/573338117.db2.gz JEYUGHUJNSXWLR-UHFFFAOYSA-N 0 0 188.295 3.578 10 30 AHEERN CC(C)Cc1ccc([C@@H]2C[C@H]2C#N)cc1 ZINC000259098420 573408663 /nfs/dbraw/zinc/40/86/63/573408663.db2.gz JREIAVSHCCGAKR-KBPBESRZSA-N 0 0 199.297 3.512 10 30 AHEERN CC(C)Cc1ccc([C@@H]2C[C@@H]2C#N)cc1 ZINC000259098424 573412918 /nfs/dbraw/zinc/41/29/18/573412918.db2.gz JREIAVSHCCGAKR-KGLIPLIRSA-N 0 0 199.297 3.512 10 30 AHEERN CC(C)Cc1ccc([C@H]2C[C@H]2C#N)cc1 ZINC000259098427 573408552 /nfs/dbraw/zinc/40/85/52/573408552.db2.gz JREIAVSHCCGAKR-UONOGXRCSA-N 0 0 199.297 3.512 10 30 AHEERN CC(C)Cc1ccc([C@H]2C[C@@H]2C#N)cc1 ZINC000259098429 573412845 /nfs/dbraw/zinc/41/28/45/573412845.db2.gz JREIAVSHCCGAKR-ZIAGYGMSSA-N 0 0 199.297 3.512 10 30 AHEERN Cc1cc(C)c(C(C)(C)S)c(C)c1 ZINC000259102013 573408298 /nfs/dbraw/zinc/40/82/98/573408298.db2.gz FLRILAQESFSNSU-UHFFFAOYSA-N 0 0 194.343 3.777 10 30 AHEERN CC(C)c1ccc(SCS)cc1 ZINC000259106389 573483270 /nfs/dbraw/zinc/48/32/70/573483270.db2.gz AGIFECXMZNPVLV-UHFFFAOYSA-N 0 0 198.356 3.789 10 30 AHEERN Cc1cc(C)c(SCS)c(C)c1 ZINC000259108859 573503976 /nfs/dbraw/zinc/50/39/76/573503976.db2.gz APHNBKJHQZADTE-UHFFFAOYSA-N 0 0 198.356 3.591 10 30 AHEERN Cc1cc(C)c([C@H](C)S)cc1C ZINC000259116593 573585495 /nfs/dbraw/zinc/58/54/95/573585495.db2.gz GHLSNIYPADURTB-JTQLQIEISA-N 0 0 180.316 3.603 10 30 AHEERN Cc1cc(C)c([C@@H](C)S)cc1C ZINC000259116596 573580838 /nfs/dbraw/zinc/58/08/38/573580838.db2.gz GHLSNIYPADURTB-SNVBAGLBSA-N 0 0 180.316 3.603 10 30 AHEERN Cc1ccc(C(C)C)cc1[C@@H]1C[C@H]1C#N ZINC000259132414 573628424 /nfs/dbraw/zinc/62/84/24/573628424.db2.gz LUZBXBRDPNHPOR-GXTWGEPZSA-N 0 0 199.297 3.746 10 30 AHEERN Cc1ccc(C(C)C)cc1[C@H]1C[C@H]1C#N ZINC000259132418 573630068 /nfs/dbraw/zinc/63/00/68/573630068.db2.gz LUZBXBRDPNHPOR-JSGCOSHPSA-N 0 0 199.297 3.746 10 30 AHEERN Cc1ccc(C(C)C)cc1[C@H]1C[C@@H]1C#N ZINC000259132422 573629523 /nfs/dbraw/zinc/62/95/23/573629523.db2.gz LUZBXBRDPNHPOR-OCCSQVGLSA-N 0 0 199.297 3.746 10 30 AHEERN Cc1ccc(C(C)C)cc1[C@@H]1C[C@@H]1C#N ZINC000259132426 573625689 /nfs/dbraw/zinc/62/56/89/573625689.db2.gz LUZBXBRDPNHPOR-TZMCWYRMSA-N 0 0 199.297 3.746 10 30 AHEERN CC[C@H](C)c1ccc([C@H]2O[C@@H]2C)cc1 ZINC000259151985 573654300 /nfs/dbraw/zinc/65/43/00/573654300.db2.gz FYNUAMFNAOUKGC-CWSCBRNRSA-N 0 0 190.286 3.660 10 30 AHEERN CC[C@H](C)c1ccc([C@H]2O[C@H]2C)cc1 ZINC000259151987 573651635 /nfs/dbraw/zinc/65/16/35/573651635.db2.gz FYNUAMFNAOUKGC-KWBADKCTSA-N 0 0 190.286 3.660 10 30 AHEERN CC[C@H](C)c1ccc([C@@H]2O[C@@H]2C)cc1 ZINC000259151988 573651398 /nfs/dbraw/zinc/65/13/98/573651398.db2.gz FYNUAMFNAOUKGC-OPQQBVKSSA-N 0 0 190.286 3.660 10 30 AHEERN CC[C@H](C)c1ccc([C@@H]2O[C@H]2C)cc1 ZINC000259151990 573651871 /nfs/dbraw/zinc/65/18/71/573651871.db2.gz FYNUAMFNAOUKGC-OUJBWJOFSA-N 0 0 190.286 3.660 10 30 AHEERN Cc1cc(C)c(C)c([C@@H]2C[C@@H]2C#N)c1C ZINC000259153046 573666707 /nfs/dbraw/zinc/66/67/07/573666707.db2.gz NDCJZSDNPPNOLQ-CHWSQXEVSA-N 0 0 199.297 3.547 10 30 AHEERN Cc1cc(C)c(C)c([C@H]2C[C@@H]2C#N)c1C ZINC000259153048 573669811 /nfs/dbraw/zinc/66/98/11/573669811.db2.gz NDCJZSDNPPNOLQ-OLZOCXBDSA-N 0 0 199.297 3.547 10 30 AHEERN Cc1cc(C)c(C)c([C@@H]2C[C@H]2C#N)c1C ZINC000259153050 573668230 /nfs/dbraw/zinc/66/82/30/573668230.db2.gz NDCJZSDNPPNOLQ-QWHCGFSZSA-N 0 0 199.297 3.547 10 30 AHEERN Cc1cc(C)c(C)c([C@H]2C[C@H]2C#N)c1C ZINC000259153052 573668823 /nfs/dbraw/zinc/66/88/23/573668823.db2.gz NDCJZSDNPPNOLQ-STQMWFEESA-N 0 0 199.297 3.547 10 30 AHEERN Cc1ccc([C@H](C)S)c(C)c1C ZINC000259158468 573685075 /nfs/dbraw/zinc/68/50/75/573685075.db2.gz IRLWJJFDJDJWIZ-JTQLQIEISA-N 0 0 180.316 3.603 10 30 AHEERN Cc1ccc([C@@H](C)S)c(C)c1C ZINC000259158472 573684940 /nfs/dbraw/zinc/68/49/40/573684940.db2.gz IRLWJJFDJDJWIZ-SNVBAGLBSA-N 0 0 180.316 3.603 10 30 AHEERN CCSc1ccc([C@@H](C)S)cc1 ZINC000259162554 573691976 /nfs/dbraw/zinc/69/19/76/573691976.db2.gz IUAZLNSFQWHHEO-MRVPVSSYSA-N 0 0 198.356 3.789 10 30 AHEERN CCSc1ccc([C@H](C)S)cc1 ZINC000259162555 573692958 /nfs/dbraw/zinc/69/29/58/573692958.db2.gz IUAZLNSFQWHHEO-QMMMGPOBSA-N 0 0 198.356 3.789 10 30 AHEERN CC(C)(S)c1coc2ccccc21 ZINC000259172095 573707263 /nfs/dbraw/zinc/70/72/63/573707263.db2.gz JIHWGIMLJKQYHU-UHFFFAOYSA-N 0 0 192.283 3.598 10 30 AHEERN CC[C@H](C#N)Cc1coc2ccccc12 ZINC000259213233 573856615 /nfs/dbraw/zinc/85/66/15/573856615.db2.gz GNJUAWYGUQNFPW-JTQLQIEISA-N 0 0 199.253 3.525 10 30 AHEERN CC[C@@H](C#N)Cc1coc2ccccc12 ZINC000259213242 573859376 /nfs/dbraw/zinc/85/93/76/573859376.db2.gz GNJUAWYGUQNFPW-SNVBAGLBSA-N 0 0 199.253 3.525 10 30 AHEERN CC(C)(C#N)Cc1coc2ccccc12 ZINC000259215017 573868755 /nfs/dbraw/zinc/86/87/55/573868755.db2.gz SXJAYVBDGBVUSA-UHFFFAOYSA-N 0 0 199.253 3.525 10 30 AHEERN Cc1cc(C)c(C)c([C@@H](C)S)c1C ZINC000259239015 573924464 /nfs/dbraw/zinc/92/44/64/573924464.db2.gz MWDPGMYCCOWNRU-LLVKDONJSA-N 0 0 194.343 3.911 10 30 AHEERN Cc1cc(C)c(C)c([C@H](C)S)c1C ZINC000259239019 573923136 /nfs/dbraw/zinc/92/31/36/573923136.db2.gz MWDPGMYCCOWNRU-NSHDSACASA-N 0 0 194.343 3.911 10 30 AHEERN N#Cc1ccc(C2CCCCC2)s1 ZINC000259247620 573946349 /nfs/dbraw/zinc/94/63/49/573946349.db2.gz ADOZCXARVIODML-UHFFFAOYSA-N 0 0 191.299 3.667 10 30 AHEERN Cc1ccc(CC2(C#N)CCC2)c(C)c1 ZINC000259252201 573960036 /nfs/dbraw/zinc/96/00/36/573960036.db2.gz WTRKUKXZNMGQMU-UHFFFAOYSA-N 0 0 199.297 3.540 10 30 AHEERN CC[C@H](C)c1ccc([C@@H]2C[C@H]2C#N)cc1 ZINC000259284691 574031256 /nfs/dbraw/zinc/03/12/56/574031256.db2.gz VVMXYBGWHNIZOE-BPNCWPANSA-N 0 0 199.297 3.827 10 30 AHEERN CC[C@H](C)c1ccc([C@@H]2C[C@@H]2C#N)cc1 ZINC000259284697 574028965 /nfs/dbraw/zinc/02/89/65/574028965.db2.gz VVMXYBGWHNIZOE-GDLCADMTSA-N 0 0 199.297 3.827 10 30 AHEERN CC[C@H](C)c1ccc([C@H]2C[C@H]2C#N)cc1 ZINC000259284705 574029671 /nfs/dbraw/zinc/02/96/71/574029671.db2.gz VVMXYBGWHNIZOE-LEWSCRJBSA-N 0 0 199.297 3.827 10 30 AHEERN CC[C@H](C)c1ccc([C@H]2C[C@@H]2C#N)cc1 ZINC000259284712 574030338 /nfs/dbraw/zinc/03/03/38/574030338.db2.gz VVMXYBGWHNIZOE-ZLKJLUDKSA-N 0 0 199.297 3.827 10 30 AHEERN CSc1ccc(C(C)(C)S)cc1 ZINC000259290016 574036017 /nfs/dbraw/zinc/03/60/17/574036017.db2.gz PWNSOJGKEKVPDG-UHFFFAOYSA-N 0 0 198.356 3.573 10 30 AHEERN Cc1ccc(C(C)C)cc1[C@H]1O[C@H]1C ZINC000259290562 574037633 /nfs/dbraw/zinc/03/76/33/574037633.db2.gz MRLWHOJJNVDBLA-GWCFXTLKSA-N 0 0 190.286 3.578 10 30 AHEERN Cc1ccc(C(C)C)cc1[C@@H]1O[C@H]1C ZINC000259290565 574037009 /nfs/dbraw/zinc/03/70/09/574037009.db2.gz MRLWHOJJNVDBLA-GXFFZTMASA-N 0 0 190.286 3.578 10 30 AHEERN Cc1ccc(C(C)C)cc1[C@H]1O[C@@H]1C ZINC000259290569 574037779 /nfs/dbraw/zinc/03/77/79/574037779.db2.gz MRLWHOJJNVDBLA-MFKMUULPSA-N 0 0 190.286 3.578 10 30 AHEERN Cc1ccc(C(C)C)cc1[C@@H]1O[C@@H]1C ZINC000259290572 574037700 /nfs/dbraw/zinc/03/77/00/574037700.db2.gz MRLWHOJJNVDBLA-ZWNOBZJWSA-N 0 0 190.286 3.578 10 30 AHEERN Cc1ccc2cc(CCC#N)ccc2c1 ZINC000259292061 574037738 /nfs/dbraw/zinc/03/77/38/574037738.db2.gz ZZAZPSFERQLOFU-UHFFFAOYSA-N 0 0 195.265 3.604 10 30 AHEERN CC(C)C[C@@H](C#N)CC1CCCC1 ZINC000259301331 574046831 /nfs/dbraw/zinc/04/68/31/574046831.db2.gz DOBIBGZODZKQNX-GFCCVEGCSA-N 0 0 179.307 3.753 10 30 AHEERN CC[C@H](C#N)c1ccc(C)c(C)c1C ZINC000259311577 573018277 /nfs/dbraw/zinc/01/82/77/573018277.db2.gz QYERUZBYYLWNNG-GFCCVEGCSA-N 0 0 187.286 3.629 10 30 AHEERN CC[C@@H](C#N)c1ccc(C)c(C)c1C ZINC000259311582 573015931 /nfs/dbraw/zinc/01/59/31/573015931.db2.gz QYERUZBYYLWNNG-LBPRGKRZSA-N 0 0 187.286 3.629 10 30 AHEERN CCCc1ccc(C(C)(C)S)cc1 ZINC000259312545 573017776 /nfs/dbraw/zinc/01/77/76/573017776.db2.gz RINXQEDYUPMNRC-UHFFFAOYSA-N 0 0 194.343 3.804 10 30 AHEERN Cc1c2ccccc2sc1CS ZINC000259318461 573046263 /nfs/dbraw/zinc/04/62/63/573046263.db2.gz DGJYWIDBZBUBDF-UHFFFAOYSA-N 0 0 194.324 3.640 10 30 AHEERN CC(C)C[C@H](C#N)CCC(C)(C)C ZINC000259346988 573159777 /nfs/dbraw/zinc/15/97/77/573159777.db2.gz HTPZOHNUPKAHME-LLVKDONJSA-N 0 0 181.323 3.999 10 30 AHEERN CC(C)C[C@@H](C#N)CCC(C)(C)C ZINC000259346990 573164127 /nfs/dbraw/zinc/16/41/27/573164127.db2.gz HTPZOHNUPKAHME-NSHDSACASA-N 0 0 181.323 3.999 10 30 AHEERN N#C[C@H]1C[C@H]1c1csc2ccccc21 ZINC000259350578 573159666 /nfs/dbraw/zinc/15/96/66/573159666.db2.gz ZPLBGJFKZYEACO-PSASIEDQSA-N 0 0 199.278 3.528 10 30 AHEERN N#C[C@H]1C[C@@H]1c1csc2ccccc21 ZINC000259350581 573164269 /nfs/dbraw/zinc/16/42/69/573164269.db2.gz ZPLBGJFKZYEACO-SCZZXKLOSA-N 0 0 199.278 3.528 10 30 AHEERN N#C[C@@H]1C[C@H]1c1csc2ccccc21 ZINC000259350583 573163734 /nfs/dbraw/zinc/16/37/34/573163734.db2.gz ZPLBGJFKZYEACO-WCBMZHEXSA-N 0 0 199.278 3.528 10 30 AHEERN N#C[C@@H]1C[C@@H]1c1csc2ccccc21 ZINC000259350586 573159061 /nfs/dbraw/zinc/15/90/61/573159061.db2.gz ZPLBGJFKZYEACO-WPRPVWTQSA-N 0 0 199.278 3.528 10 30 AHEERN CC[C@@](C)(C#N)c1ccc(C2CC2)cc1 ZINC000259355523 573176384 /nfs/dbraw/zinc/17/63/84/573176384.db2.gz AEWGFBYXZLFGGE-AWEZNQCLSA-N 0 0 199.297 3.755 10 30 AHEERN CC[C@](C)(C#N)c1ccc(C2CC2)cc1 ZINC000259355524 573173807 /nfs/dbraw/zinc/17/38/07/573173807.db2.gz AEWGFBYXZLFGGE-CQSZACIVSA-N 0 0 199.297 3.755 10 30 AHEERN CC[C@@H](C#N)c1c(C)oc2ccccc21 ZINC000259378111 573215404 /nfs/dbraw/zinc/21/54/04/573215404.db2.gz GSVSCLJBKJQSLI-JTQLQIEISA-N 0 0 199.253 3.758 10 30 AHEERN CC[C@H](C#N)c1c(C)oc2ccccc21 ZINC000259378117 573216184 /nfs/dbraw/zinc/21/61/84/573216184.db2.gz GSVSCLJBKJQSLI-SNVBAGLBSA-N 0 0 199.253 3.758 10 30 AHEERN Cc1sc2ccccc2c1CS ZINC000259381359 573225898 /nfs/dbraw/zinc/22/58/98/573225898.db2.gz GXXQISPCEUDSJQ-UHFFFAOYSA-N 0 0 194.324 3.640 10 30 AHEERN N#CCCc1ccccc1C1CCCC1 ZINC000259386586 573227174 /nfs/dbraw/zinc/22/71/74/573227174.db2.gz BJXGCDJQPFRPDJ-UHFFFAOYSA-N 0 0 199.297 3.800 10 30 AHEERN CC(C)c1ccc([C@H]2OC2(C)C)cc1 ZINC000259394277 573260167 /nfs/dbraw/zinc/26/01/67/573260167.db2.gz RSSNXZCMIFEYAE-GFCCVEGCSA-N 0 0 190.286 3.660 10 30 AHEERN CC(C)c1ccc([C@@H]2OC2(C)C)cc1 ZINC000259394279 573259527 /nfs/dbraw/zinc/25/95/27/573259527.db2.gz RSSNXZCMIFEYAE-LBPRGKRZSA-N 0 0 190.286 3.660 10 30 AHEERN Cc1cc(C)c(C(C)(C)S)cc1C ZINC000259417900 573326318 /nfs/dbraw/zinc/32/63/18/573326318.db2.gz YSWJDNPWGIJYRF-UHFFFAOYSA-N 0 0 194.343 3.777 10 30 AHEERN CC(C)[C@@H](C#N)c1coc2ccccc21 ZINC000259423240 573353545 /nfs/dbraw/zinc/35/35/45/573353545.db2.gz YNYLSDODCSAVLK-LLVKDONJSA-N 0 0 199.253 3.696 10 30 AHEERN CC(C)[C@H](C#N)c1coc2ccccc21 ZINC000259423242 573351124 /nfs/dbraw/zinc/35/11/24/573351124.db2.gz YNYLSDODCSAVLK-NSHDSACASA-N 0 0 199.253 3.696 10 30 AHEERN Cc1ccc2cc([C@H]3O[C@H]3C)ccc2c1 ZINC000259425165 573357975 /nfs/dbraw/zinc/35/79/75/573357975.db2.gz UHHDYACNGJTEPE-HZMBPMFUSA-N 0 0 198.265 3.608 10 30 AHEERN Cc1ccc2cc([C@@H]3O[C@H]3C)ccc2c1 ZINC000259425170 573357202 /nfs/dbraw/zinc/35/72/02/573357202.db2.gz UHHDYACNGJTEPE-IINYFYTJSA-N 0 0 198.265 3.608 10 30 AHEERN Cc1ccc2cc([C@@H]3O[C@@H]3C)ccc2c1 ZINC000259425176 573354195 /nfs/dbraw/zinc/35/41/95/573354195.db2.gz UHHDYACNGJTEPE-QMTHXVAHSA-N 0 0 198.265 3.608 10 30 AHEERN Cc1ccc2cc([C@H]3O[C@@H]3C)ccc2c1 ZINC000259425181 573354611 /nfs/dbraw/zinc/35/46/11/573354611.db2.gz UHHDYACNGJTEPE-YGRLFVJLSA-N 0 0 198.265 3.608 10 30 AHEERN CC(C)[C@H](C#N)CC1CCCCC1 ZINC000259440185 573399421 /nfs/dbraw/zinc/39/94/21/573399421.db2.gz PXZWEHWNHJBUAH-LBPRGKRZSA-N 0 0 179.307 3.753 10 30 AHEERN C[C@H](C#N)c1ccccc1C1CCCC1 ZINC000259448912 573443674 /nfs/dbraw/zinc/44/36/74/573443674.db2.gz FPBFTYZTHNYLKF-LLVKDONJSA-N 0 0 199.297 3.971 10 30 AHEERN C[C@@H](C#N)c1ccccc1C1CCCC1 ZINC000259448913 573439957 /nfs/dbraw/zinc/43/99/57/573439957.db2.gz FPBFTYZTHNYLKF-NSHDSACASA-N 0 0 199.297 3.971 10 30 AHEERN Cc1c2ccoc2ccc1CCCC#N ZINC000259467669 573481166 /nfs/dbraw/zinc/48/11/66/573481166.db2.gz MOXPLDQZEJYZDA-UHFFFAOYSA-N 0 0 199.253 3.588 10 30 AHEERN CC1(C)O[C@@H]1c1cccc2ccccc21 ZINC000259475862 573501083 /nfs/dbraw/zinc/50/10/83/573501083.db2.gz XUVJXJAZFFETAE-CYBMUJFWSA-N 0 0 198.265 3.690 10 30 AHEERN CC1(C)O[C@H]1c1cccc2ccccc21 ZINC000259475864 573498338 /nfs/dbraw/zinc/49/83/38/573498338.db2.gz XUVJXJAZFFETAE-ZDUSSCGKSA-N 0 0 198.265 3.690 10 30 AHEERN Cc1oc(Cl)cc1[C@H](C#N)C(C)C ZINC000259497727 573542357 /nfs/dbraw/zinc/54/23/57/573542357.db2.gz AINXWHVAAILBPC-SECBINFHSA-N 0 0 197.665 3.505 10 30 AHEERN Cc1oc(Cl)cc1[C@@H](C#N)C(C)C ZINC000259497729 573544468 /nfs/dbraw/zinc/54/44/68/573544468.db2.gz AINXWHVAAILBPC-VIFPVBQESA-N 0 0 197.665 3.505 10 30 AHEERN Cc1c2ccccc2oc1C(C)(C)C#N ZINC000259517894 573586418 /nfs/dbraw/zinc/58/64/18/573586418.db2.gz PNQYXKXPJVIGHS-UHFFFAOYSA-N 0 0 199.253 3.542 10 30 AHEERN CC1(C)CCC[C@@H](CCC#N)C1 ZINC000259538811 573641398 /nfs/dbraw/zinc/64/13/98/573641398.db2.gz GBZRLNIFGBVWPF-JTQLQIEISA-N 0 0 165.280 3.507 10 30 AHEERN CC1(C)CCC[C@H](CCC#N)C1 ZINC000259538813 573642093 /nfs/dbraw/zinc/64/20/93/573642093.db2.gz GBZRLNIFGBVWPF-SNVBAGLBSA-N 0 0 165.280 3.507 10 30 AHEERN CCC(CC)CC1(CC#N)CC1 ZINC000259550672 573677845 /nfs/dbraw/zinc/67/78/45/573677845.db2.gz BPJFSNWBILWRDS-UHFFFAOYSA-N 0 0 165.280 3.507 10 30 AHEERN N#CCC1(CC2CCCCC2)CC1 ZINC000259555966 573689246 /nfs/dbraw/zinc/68/92/46/573689246.db2.gz DPBRAMSDDBVBTA-UHFFFAOYSA-N 0 0 177.291 3.651 10 30 AHEERN CC(C)CC[C@@H](C#N)CC(C)C ZINC000259556334 573688260 /nfs/dbraw/zinc/68/82/60/573688260.db2.gz UVAFTGYZPQWHLK-LLVKDONJSA-N 0 0 167.296 3.608 10 30 AHEERN CC(C)CC[C@H](C#N)CC(C)C ZINC000259556337 573689458 /nfs/dbraw/zinc/68/94/58/573689458.db2.gz UVAFTGYZPQWHLK-NSHDSACASA-N 0 0 167.296 3.608 10 30 AHEERN CC(C)[C@H](C#N)CCC(C)(C)C ZINC000259556400 573683757 /nfs/dbraw/zinc/68/37/57/573683757.db2.gz UVSGQODGWIYBPG-JTQLQIEISA-N 0 0 167.296 3.608 10 30 AHEERN CC(C)[C@@H](C#N)CCC(C)(C)C ZINC000259556402 573685793 /nfs/dbraw/zinc/68/57/93/573685793.db2.gz UVSGQODGWIYBPG-SNVBAGLBSA-N 0 0 167.296 3.608 10 30 AHEERN CC[C@H](C#N)CC1CCCCC1 ZINC000259564264 573740928 /nfs/dbraw/zinc/74/09/28/573740928.db2.gz YEJXYFFMHCKHFQ-JTQLQIEISA-N 0 0 165.280 3.507 10 30 AHEERN CC[C@@H](C#N)CC1CCCCC1 ZINC000259564266 573740354 /nfs/dbraw/zinc/74/03/54/573740354.db2.gz YEJXYFFMHCKHFQ-SNVBAGLBSA-N 0 0 165.280 3.507 10 30 AHEERN Cc1cc2occc2cc1CCCC#N ZINC000259565998 573761323 /nfs/dbraw/zinc/76/13/23/573761323.db2.gz XGWOZQVQLVHJEG-UHFFFAOYSA-N 0 0 199.253 3.588 10 30 AHEERN Cc1ccc(-c2cc(C#N)cs2)cc1 ZINC000259574877 573848340 /nfs/dbraw/zinc/84/83/40/573848340.db2.gz YHRNDLBEUSIPLT-UHFFFAOYSA-N 0 0 199.278 3.595 10 30 AHEERN C[C@@H](C#N)C1CCC(C(C)(C)C)CC1 ZINC000259600732 573105836 /nfs/dbraw/zinc/10/58/36/573105836.db2.gz GCRXKJMNKZJRFH-UNXYVOJBSA-N 0 0 193.334 3.999 10 30 AHEERN C[C@H](C#N)C1CCC(C(C)(C)C)CC1 ZINC000259600739 573109603 /nfs/dbraw/zinc/10/96/03/573109603.db2.gz GCRXKJMNKZJRFH-VOMCLLRMSA-N 0 0 193.334 3.999 10 30 AHEERN Cc1csc(C#N)c1-c1ccccc1 ZINC000259617044 573641475 /nfs/dbraw/zinc/64/14/75/573641475.db2.gz BXMPICVYGCBTAK-UHFFFAOYSA-N 0 0 199.278 3.595 10 30 AHEERN Cc1oc2cc(CCC#N)ccc2c1C ZINC000259617173 573667823 /nfs/dbraw/zinc/66/78/23/573667823.db2.gz BYUNQVMDKUQUIM-UHFFFAOYSA-N 0 0 199.253 3.506 10 30 AHEERN CC(C)C[C@H](C#N)C1CCCCC1 ZINC000259622945 573834255 /nfs/dbraw/zinc/83/42/55/573834255.db2.gz GZCDIVDOAFONMJ-GFCCVEGCSA-N 0 0 179.307 3.753 10 30 AHEERN CC(C)C[C@@H](C#N)C1CCCCC1 ZINC000259622951 573836832 /nfs/dbraw/zinc/83/68/32/573836832.db2.gz GZCDIVDOAFONMJ-LBPRGKRZSA-N 0 0 179.307 3.753 10 30 AHEERN N#CC1(C2CCCC2)CCCCC1 ZINC000260485390 375436207 /nfs/dbraw/zinc/43/62/07/375436207.db2.gz PGGFNDSOMLBMNZ-UHFFFAOYSA-N 0 0 177.291 3.651 10 30 AHEERN CC[C@@H]1CCCC[C@H]1C(C)(C)C#N ZINC000261119367 351888840 /nfs/dbraw/zinc/88/88/40/351888840.db2.gz IBJYWIZZWHXPOC-GHMZBOCLSA-N 0 0 179.307 3.753 10 30 AHEERN CC[C@@H]1CCCC[C@@H]1C(C)(C)C#N ZINC000261119368 351889212 /nfs/dbraw/zinc/88/92/12/351889212.db2.gz IBJYWIZZWHXPOC-MNOVXSKESA-N 0 0 179.307 3.753 10 30 AHEERN CC[C@H]1CCCC[C@@H]1C(C)(C)C#N ZINC000261119369 351889121 /nfs/dbraw/zinc/88/91/21/351889121.db2.gz IBJYWIZZWHXPOC-QWRGUYRKSA-N 0 0 179.307 3.753 10 30 AHEERN CC[C@H]1CCCC[C@H]1C(C)(C)C#N ZINC000261119370 351889162 /nfs/dbraw/zinc/88/91/62/351889162.db2.gz IBJYWIZZWHXPOC-WDEREUQCSA-N 0 0 179.307 3.753 10 30 AHEERN C[C@@H]1CCC[C@@H](CC(C)(C)C#N)C1 ZINC000261148862 351889638 /nfs/dbraw/zinc/88/96/38/351889638.db2.gz RBPGRWRFMIBVQW-GHMZBOCLSA-N 0 0 179.307 3.753 10 30 AHEERN C[C@@H]1CCC[C@H](CC(C)(C)C#N)C1 ZINC000261148863 351889856 /nfs/dbraw/zinc/88/98/56/351889856.db2.gz RBPGRWRFMIBVQW-MNOVXSKESA-N 0 0 179.307 3.753 10 30 AHEERN C[C@H]1CCC[C@H](CC(C)(C)C#N)C1 ZINC000261148865 351889894 /nfs/dbraw/zinc/88/98/94/351889894.db2.gz RBPGRWRFMIBVQW-QWRGUYRKSA-N 0 0 179.307 3.753 10 30 AHEERN C[C@H]1CCC[C@@H](CC(C)(C)C#N)C1 ZINC000261148866 351889699 /nfs/dbraw/zinc/88/96/99/351889699.db2.gz RBPGRWRFMIBVQW-WDEREUQCSA-N 0 0 179.307 3.753 10 30 AHEERN C[C@@H]1CCC2=C(C1)C[C@H](C#N)C[C@H]2C ZINC000263584651 168414107 /nfs/dbraw/zinc/41/41/07/168414107.db2.gz YEVCTGOJOVCQBE-GMTAPVOTSA-N 0 0 189.302 3.673 10 30 AHEERN C[C@@H]1CCC2=C(C1)C[C@@H](C#N)C[C@H]2C ZINC000263584652 168412724 /nfs/dbraw/zinc/41/27/24/168412724.db2.gz YEVCTGOJOVCQBE-MXWKQRLJSA-N 0 0 189.302 3.673 10 30 AHEERN C=CCCCCC[C@@H](O)[C@H](C)CCC ZINC000300223211 572005887 /nfs/dbraw/zinc/00/58/87/572005887.db2.gz ABWHHZKQLHUPEA-CHWSQXEVSA-N 0 0 198.350 3.920 10 30 AHEERN C=CCCCCC[C@@H]1CC[C@H](O)[C@H]1C ZINC000300225212 572004137 /nfs/dbraw/zinc/00/41/37/572004137.db2.gz RCLVKEWNJIKKTJ-XQQFMLRXSA-N 0 0 196.334 3.530 10 30 AHEERN C=CCCCCC[C@@H]1CC[C@@H](O)[C@H]1C ZINC000300225213 572004504 /nfs/dbraw/zinc/00/45/04/572004504.db2.gz RCLVKEWNJIKKTJ-YNEHKIRRSA-N 0 0 196.334 3.530 10 30 AHEERN C=CCCCCCC1=C[C@@H](O)CCC1 ZINC000300225896 572008282 /nfs/dbraw/zinc/00/82/82/572008282.db2.gz WBGJCWKMMFIUAQ-ZDUSSCGKSA-N 0 0 194.318 3.594 10 30 AHEERN CCC[C@H](C)[C@H](C#N)S[C@H](C)CC ZINC000300345541 572126744 /nfs/dbraw/zinc/12/67/44/572126744.db2.gz GPULLODSZOINIO-AXFHLTTASA-N 0 0 199.363 3.846 10 30 AHEERN CCC[C@H](C)[C@@H](C#N)S[C@H](C)CC ZINC000300345543 572125150 /nfs/dbraw/zinc/12/51/50/572125150.db2.gz GPULLODSZOINIO-HBNTYKKESA-N 0 0 199.363 3.846 10 30 AHEERN C=C[C@@](C)(CO)CCC1CCCCC1 ZINC000300718524 571850145 /nfs/dbraw/zinc/85/01/45/571850145.db2.gz AKSJXOXZNXXQFD-CYBMUJFWSA-N 0 0 196.334 3.532 10 30 AHEERN C=C[C@](C)(CO)CCC1CCCCC1 ZINC000300718525 571847795 /nfs/dbraw/zinc/84/77/95/571847795.db2.gz AKSJXOXZNXXQFD-ZDUSSCGKSA-N 0 0 196.334 3.532 10 30 AHEERN N#CC1(CCC2CCCC2)CCC1 ZINC000300730531 344984369 /nfs/dbraw/zinc/98/43/69/344984369.db2.gz FMPSEFMNIWXJDE-UHFFFAOYSA-N 0 0 177.291 3.651 10 30 AHEERN O=C1C=C(CCC2CCCC2)CCC1 ZINC000300745075 344986564 /nfs/dbraw/zinc/98/65/64/344986564.db2.gz JHGIXDHQYAATBK-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN C=CCC[C@](C)(O)CCC1CCCC1 ZINC000300748195 571873451 /nfs/dbraw/zinc/87/34/51/571873451.db2.gz KCIMRWMWQWKQCF-ZDUSSCGKSA-N 0 0 196.334 3.674 10 30 AHEERN CC[C@](C)(C#N)CCC1CCCC1 ZINC000300762422 571893231 /nfs/dbraw/zinc/89/32/31/571893231.db2.gz NYFYEBCLVLKOTQ-LBPRGKRZSA-N 0 0 179.307 3.897 10 30 AHEERN C=CCCCCCC1CCOCC1 ZINC000300764284 571903263 /nfs/dbraw/zinc/90/32/63/571903263.db2.gz OKLMZASBVZJKEE-UHFFFAOYSA-N 0 0 182.307 3.550 10 30 AHEERN CCCCCC(=O)CC#CC(C)(C)C ZINC000300776472 571923528 /nfs/dbraw/zinc/92/35/28/571923528.db2.gz QQPIZCWNVYSZFE-UHFFFAOYSA-N 0 0 194.318 3.575 10 30 AHEERN C[C@@H](C=O)CCCC1CCCCC1 ZINC000300777395 571919270 /nfs/dbraw/zinc/91/92/70/571919270.db2.gz QYCCODBEBVGEOQ-LLVKDONJSA-N 0 0 182.307 3.572 10 30 AHEERN C[C@H](C=O)CCCC1CCCCC1 ZINC000300777397 571920226 /nfs/dbraw/zinc/92/02/26/571920226.db2.gz QYCCODBEBVGEOQ-NSHDSACASA-N 0 0 182.307 3.572 10 30 AHEERN C/C=C(\CC)C(=O)CCC1CCCC1 ZINC000300798780 571934839 /nfs/dbraw/zinc/93/48/39/571934839.db2.gz VDUVPZSIGMHUGV-KGVSQERTSA-N 0 0 194.318 3.882 10 30 AHEERN CC/C=C/C(=O)CCC1CCCCC1 ZINC000300799510 571932120 /nfs/dbraw/zinc/93/21/20/571932120.db2.gz VEZDKYRNKKRJPP-YCRREMRBSA-N 0 0 194.318 3.882 10 30 AHEERN CC(C)(C)CCCC(=O)C1=CCCC1 ZINC000300808832 571944729 /nfs/dbraw/zinc/94/47/29/571944729.db2.gz FPCSGUINWUIBRB-UHFFFAOYSA-N 0 0 194.318 3.882 10 30 AHEERN CC(C)=CC(=O)CCCC(C)(C)C ZINC000300809672 571948068 /nfs/dbraw/zinc/94/80/68/571948068.db2.gz FSTXAOMOFOGDTN-UHFFFAOYSA-N 0 0 182.307 3.738 10 30 AHEERN C=CCC[C@@](C)(O)CCCC(C)(C)C ZINC000300829244 571971005 /nfs/dbraw/zinc/97/10/05/571971005.db2.gz HZYTZYJWNBGICC-CYBMUJFWSA-N 0 0 198.350 3.920 10 30 AHEERN C=CCC[C@](C)(O)CCCC(C)(C)C ZINC000300829245 571972602 /nfs/dbraw/zinc/97/26/02/571972602.db2.gz HZYTZYJWNBGICC-ZDUSSCGKSA-N 0 0 198.350 3.920 10 30 AHEERN C=C(C)CC[C@H](O)[C@H](C)CCCC ZINC000300842040 571982206 /nfs/dbraw/zinc/98/22/06/571982206.db2.gz AABINXNNYVKVSG-NEPJUHHUSA-N 0 0 184.323 3.530 10 30 AHEERN C=C(C)CC[C@@H](O)[C@@H](C)CCCC ZINC000300842041 571982030 /nfs/dbraw/zinc/98/20/30/571982030.db2.gz AABINXNNYVKVSG-NWDGAFQWSA-N 0 0 184.323 3.530 10 30 AHEERN C=C(C)CC[C@H](O)[C@@H](C)CCCC ZINC000300842042 571981844 /nfs/dbraw/zinc/98/18/44/571981844.db2.gz AABINXNNYVKVSG-RYUDHWBXSA-N 0 0 184.323 3.530 10 30 AHEERN C=C(C)CC[C@@H](O)[C@H](C)CCCC ZINC000300842043 571981352 /nfs/dbraw/zinc/98/13/52/571981352.db2.gz AABINXNNYVKVSG-VXGBXAGGSA-N 0 0 184.323 3.530 10 30 AHEERN C=C(C)CCC(=O)[C@H](C)CCCC ZINC000300844632 571984363 /nfs/dbraw/zinc/98/43/63/571984363.db2.gz AGICLEONSNSKPZ-LLVKDONJSA-N 0 0 182.307 3.738 10 30 AHEERN C=C(C)CCC(=O)[C@@H](C)CCCC ZINC000300844633 571984512 /nfs/dbraw/zinc/98/45/12/571984512.db2.gz AGICLEONSNSKPZ-NSHDSACASA-N 0 0 182.307 3.738 10 30 AHEERN C=CCCC[C@@H](O)CCC(C)(C)C ZINC000300864634 571994440 /nfs/dbraw/zinc/99/44/40/571994440.db2.gz MLMDLVIYKHPYAI-LLVKDONJSA-N 0 0 184.323 3.530 10 30 AHEERN C=C[C@H](C)Nc1ccc(C)c(CC)c1 ZINC000300864963 571950165 /nfs/dbraw/zinc/95/01/65/571950165.db2.gz JRAFMNKKQIVMPL-NSHDSACASA-N 0 0 189.302 3.544 10 30 AHEERN CC(C)(C)CCCC1(C#N)CCC1 ZINC000300883943 572016983 /nfs/dbraw/zinc/01/69/83/572016983.db2.gz OVHOQBNTSCXAHZ-UHFFFAOYSA-N 0 0 179.307 3.897 10 30 AHEERN C=C[C@@H](C)Nc1cccc(C)c1Cl ZINC000300891231 345009822 /nfs/dbraw/zinc/00/98/22/345009822.db2.gz OMOWBZAZUPILHW-SECBINFHSA-N 0 0 195.693 3.635 10 30 AHEERN C=C[C@H](C)Nc1cccc(C)c1Cl ZINC000300891233 345009850 /nfs/dbraw/zinc/00/98/50/345009850.db2.gz OMOWBZAZUPILHW-VIFPVBQESA-N 0 0 195.693 3.635 10 30 AHEERN C=CCCCC(=O)[C@H](C)CCCC ZINC000300900311 572035698 /nfs/dbraw/zinc/03/56/98/572035698.db2.gz IUPDFYLQCYCUFF-LLVKDONJSA-N 0 0 182.307 3.738 10 30 AHEERN C=C(C)CC[C@@H](O)CCC(C)(C)C ZINC000300908171 572039102 /nfs/dbraw/zinc/03/91/02/572039102.db2.gz RPNOGLMEHYDUPR-LLVKDONJSA-N 0 0 184.323 3.530 10 30 AHEERN C=C(C)CC[C@H](O)CCC(C)(C)C ZINC000300908173 572040614 /nfs/dbraw/zinc/04/06/14/572040614.db2.gz RPNOGLMEHYDUPR-NSHDSACASA-N 0 0 184.323 3.530 10 30 AHEERN C=C(CC)CC(=O)[C@@H](C)CCCC ZINC000300912275 572041174 /nfs/dbraw/zinc/04/11/74/572041174.db2.gz KCOFNVPWKDHTGX-NSHDSACASA-N 0 0 182.307 3.738 10 30 AHEERN CC/C=C/C(=O)CCCC(C)(C)C ZINC000300915464 572044203 /nfs/dbraw/zinc/04/42/03/572044203.db2.gz SNPXKJXCDUWAOW-SOFGYWHQSA-N 0 0 182.307 3.738 10 30 AHEERN CC(C)(C)CCCC1=CC(=O)CCC1 ZINC000300921987 572057731 /nfs/dbraw/zinc/05/77/31/572057731.db2.gz UARWDMJJSCIKAL-UHFFFAOYSA-N 0 0 194.318 3.882 10 30 AHEERN C=C(CC)CC(=O)CCC(C)(C)C ZINC000300925088 572068086 /nfs/dbraw/zinc/06/80/86/572068086.db2.gz UJFLKPFTBGWNBV-UHFFFAOYSA-N 0 0 182.307 3.738 10 30 AHEERN C/C=C(/CC)C(=O)C[C@H](C)CC(C)C ZINC000300928527 572074081 /nfs/dbraw/zinc/07/40/81/572074081.db2.gz NNCIUTPAIIOZBT-MDUDVEDUSA-N 0 0 196.334 3.984 10 30 AHEERN C/C=C(/CC)C(=O)C[C@@H](C)CC(C)C ZINC000300928529 572073682 /nfs/dbraw/zinc/07/36/82/572073682.db2.gz NNCIUTPAIIOZBT-RMCZBGCRSA-N 0 0 196.334 3.984 10 30 AHEERN C=C(CC)C[C@H](O)CCC(C)(C)C ZINC000300944411 572114823 /nfs/dbraw/zinc/11/48/23/572114823.db2.gz WMKGMELDPZTVNS-LLVKDONJSA-N 0 0 184.323 3.530 10 30 AHEERN C=CCCC[C@H](O)[C@H](C)CCCC ZINC000300949328 572123470 /nfs/dbraw/zinc/12/34/70/572123470.db2.gz OUMSCXHGBPHTRQ-NEPJUHHUSA-N 0 0 184.323 3.530 10 30 AHEERN C=CCCC[C@@H](O)[C@@H](C)CCCC ZINC000300949329 572122784 /nfs/dbraw/zinc/12/27/84/572122784.db2.gz OUMSCXHGBPHTRQ-NWDGAFQWSA-N 0 0 184.323 3.530 10 30 AHEERN C=CCCC[C@H](O)[C@@H](C)CCCC ZINC000300949330 572485761 /nfs/dbraw/zinc/48/57/61/572485761.db2.gz OUMSCXHGBPHTRQ-RYUDHWBXSA-N 0 0 184.323 3.530 10 30 AHEERN C=CCCC[C@@H](O)[C@H](C)CCCC ZINC000300949331 572122294 /nfs/dbraw/zinc/12/22/94/572122294.db2.gz OUMSCXHGBPHTRQ-VXGBXAGGSA-N 0 0 184.323 3.530 10 30 AHEERN CC(C)C[C@@H](C)CC1=CC(=O)CCC1 ZINC000300982477 572220830 /nfs/dbraw/zinc/22/08/30/572220830.db2.gz UKUYHKWETOYGEA-LLVKDONJSA-N 0 0 194.318 3.738 10 30 AHEERN CC(C)C[C@H](C)CC1=CC(=O)CCC1 ZINC000300982480 572222332 /nfs/dbraw/zinc/22/23/32/572222332.db2.gz UKUYHKWETOYGEA-NSHDSACASA-N 0 0 194.318 3.738 10 30 AHEERN CC(C)=CC(=O)C[C@H](C)CC(C)C ZINC000300983054 572220254 /nfs/dbraw/zinc/22/02/54/572220254.db2.gz UMYITRLNDCIUCX-LLVKDONJSA-N 0 0 182.307 3.594 10 30 AHEERN CC(C)=CC(=O)C[C@@H](C)CC(C)C ZINC000300983055 572222823 /nfs/dbraw/zinc/22/28/23/572222823.db2.gz UMYITRLNDCIUCX-NSHDSACASA-N 0 0 182.307 3.594 10 30 AHEERN C=C(CC)C[C@H](O)[C@H](C)CCCC ZINC000301002683 571742408 /nfs/dbraw/zinc/74/24/08/571742408.db2.gz YHCFFJHKYRUWSB-NEPJUHHUSA-N 0 0 184.323 3.530 10 30 AHEERN C=C(CC)C[C@H](O)[C@@H](C)CCCC ZINC000301002687 571743501 /nfs/dbraw/zinc/74/35/01/571743501.db2.gz YHCFFJHKYRUWSB-RYUDHWBXSA-N 0 0 184.323 3.530 10 30 AHEERN C=C(CC)C[C@@H](O)[C@H](C)CCCC ZINC000301002689 571742527 /nfs/dbraw/zinc/74/25/27/571742527.db2.gz YHCFFJHKYRUWSB-VXGBXAGGSA-N 0 0 184.323 3.530 10 30 AHEERN CC[C@](C)(C#N)C[C@H](C)CC(C)C ZINC000301003073 571770459 /nfs/dbraw/zinc/77/04/59/571770459.db2.gz XLGDVLRYOABKDF-NEPJUHHUSA-N 0 0 181.323 3.999 10 30 AHEERN CC[C@@](C)(C#N)C[C@@H](C)CC(C)C ZINC000301003074 571770505 /nfs/dbraw/zinc/77/05/05/571770505.db2.gz XLGDVLRYOABKDF-NWDGAFQWSA-N 0 0 181.323 3.999 10 30 AHEERN CC[C@](C)(C#N)C[C@@H](C)CC(C)C ZINC000301003075 571769836 /nfs/dbraw/zinc/76/98/36/571769836.db2.gz XLGDVLRYOABKDF-RYUDHWBXSA-N 0 0 181.323 3.999 10 30 AHEERN CC[C@@](C)(C#N)C[C@H](C)CC(C)C ZINC000301003076 571768979 /nfs/dbraw/zinc/76/89/79/571768979.db2.gz XLGDVLRYOABKDF-VXGBXAGGSA-N 0 0 181.323 3.999 10 30 AHEERN CCCC[C@H](C)C(=O)C1=CCCCC1 ZINC000301007727 571778645 /nfs/dbraw/zinc/77/86/45/571778645.db2.gz ZFNDKDCHRPAIAW-NSHDSACASA-N 0 0 194.318 3.882 10 30 AHEERN CC(C)C[C@H](C)CC1(C#N)CCC1 ZINC000301017460 571792508 /nfs/dbraw/zinc/79/25/08/571792508.db2.gz ZYRKCRQHVCBMEX-NSHDSACASA-N 0 0 179.307 3.753 10 30 AHEERN CCC1CCC(C#N)(C2CC2)CC1 ZINC000306189322 345079692 /nfs/dbraw/zinc/07/96/92/345079692.db2.gz DCVQYYFZAYPITH-UHFFFAOYSA-N 0 0 177.291 3.507 10 30 AHEERN C=C[C@H](C)S[C@@H]1CCC[C@@H](C)C1 ZINC000306263605 572580644 /nfs/dbraw/zinc/58/06/44/572580644.db2.gz YYBOEQOUYMKVFL-OUAUKWLOSA-N 0 0 184.348 3.873 10 30 AHEERN C=CC[C@H](C)Nc1ccc(F)c(C)c1 ZINC000306266448 572583634 /nfs/dbraw/zinc/58/36/34/572583634.db2.gz HIYDBMVABDJTMA-JTQLQIEISA-N 0 0 193.265 3.511 10 30 AHEERN C/C=C/C(=O)c1ccccc1C(C)C ZINC000306272375 345160469 /nfs/dbraw/zinc/16/04/69/345160469.db2.gz XFCDCSGSOFXPKA-QPJJXVBHSA-N 0 0 188.270 3.569 10 30 AHEERN C=CCNc1c(C)cc(Cl)cc1C ZINC000306282599 345167375 /nfs/dbraw/zinc/16/73/75/345167375.db2.gz ZQGBIVMYBPEWJF-UHFFFAOYSA-N 0 0 195.693 3.555 10 30 AHEERN C=CCNc1ccc(C(C)C)c(F)c1 ZINC000306295853 572587128 /nfs/dbraw/zinc/58/71/28/572587128.db2.gz WNJLWBNDRBGWRM-UHFFFAOYSA-N 0 0 193.265 3.547 10 30 AHEERN N#C[C@]1(Cl)CCCCC12CCCC2 ZINC000306297209 345177842 /nfs/dbraw/zinc/17/78/42/345177842.db2.gz MUBYFSHCSOUCAW-LLVKDONJSA-N 0 0 197.709 3.622 10 30 AHEERN N#C[C@@]1(Cl)CCCCC12CCCC2 ZINC000306297210 345177909 /nfs/dbraw/zinc/17/79/09/345177909.db2.gz MUBYFSHCSOUCAW-NSHDSACASA-N 0 0 197.709 3.622 10 30 AHEERN C=CCC1(C#N)CCCCCCC1 ZINC000306302970 345182742 /nfs/dbraw/zinc/18/27/42/345182742.db2.gz AVMAYYXSDFEXEN-UHFFFAOYSA-N 0 0 177.291 3.817 10 30 AHEERN CC1(CC2(C#N)CCC2)CCCC1 ZINC000306330665 345208259 /nfs/dbraw/zinc/20/82/59/345208259.db2.gz CMOWDZMNEIVHDN-UHFFFAOYSA-N 0 0 177.291 3.651 10 30 AHEERN C=C[C@@H](C)Sc1cc(C)ccc1C ZINC000306360253 572611652 /nfs/dbraw/zinc/61/16/52/572611652.db2.gz MEWDBOOJIKBUOH-LLVKDONJSA-N 0 0 192.327 3.970 10 30 AHEERN C=C[C@H](C)Sc1cc(C)ccc1C ZINC000306360254 572612015 /nfs/dbraw/zinc/61/20/15/572612015.db2.gz MEWDBOOJIKBUOH-NSHDSACASA-N 0 0 192.327 3.970 10 30 AHEERN C=C[C@@H](C)n1ccc2c1cccc2F ZINC000306364405 572615752 /nfs/dbraw/zinc/61/57/52/572615752.db2.gz AJIROICBAUMGPS-SECBINFHSA-N 0 0 189.233 3.527 10 30 AHEERN C=C[C@H](C)n1ccc2c1cccc2F ZINC000306364420 572605893 /nfs/dbraw/zinc/60/58/93/572605893.db2.gz AJIROICBAUMGPS-VIFPVBQESA-N 0 0 189.233 3.527 10 30 AHEERN C[C@H]1CCC[C@@](C#N)(C2CCC2)C1 ZINC000306366248 345236058 /nfs/dbraw/zinc/23/60/58/345236058.db2.gz DWKSSEGXFTWNAH-CMPLNLGQSA-N 0 0 177.291 3.507 10 30 AHEERN C[C@H]1CCC[C@](C#N)(C2CCC2)C1 ZINC000306366252 345236141 /nfs/dbraw/zinc/23/61/41/345236141.db2.gz DWKSSEGXFTWNAH-JQWIXIFHSA-N 0 0 177.291 3.507 10 30 AHEERN C[C@@H]1CCC[C@](C#N)(C2CCC2)C1 ZINC000306366255 345235944 /nfs/dbraw/zinc/23/59/44/345235944.db2.gz DWKSSEGXFTWNAH-PWSUYJOCSA-N 0 0 177.291 3.507 10 30 AHEERN C[C@@H]1CCC[C@@](C#N)(C2CCC2)C1 ZINC000306366258 345236156 /nfs/dbraw/zinc/23/61/56/345236156.db2.gz DWKSSEGXFTWNAH-ZYHUDNBSSA-N 0 0 177.291 3.507 10 30 AHEERN CCC1CCC(C2(C#N)CC2)CC1 ZINC000306396299 345258266 /nfs/dbraw/zinc/25/82/66/345258266.db2.gz HNFWVDRCWGGZHJ-UHFFFAOYSA-N 0 0 177.291 3.507 10 30 AHEERN C=C[C@H](C)n1ccc2c1cccc2C ZINC000306396862 572599869 /nfs/dbraw/zinc/59/98/69/572599869.db2.gz UDWGLQFCLWZKNJ-NSHDSACASA-N 0 0 185.270 3.697 10 30 AHEERN C=CCC[C@@H]1CCC[C@@H](C)C1 ZINC000306404313 572650837 /nfs/dbraw/zinc/65/08/37/572650837.db2.gz UPFPZDLBIWQHQZ-GHMZBOCLSA-N 0 0 152.281 3.779 10 30 AHEERN C=CCC[C@H]1CCC[C@H](C)C1 ZINC000306404315 572667945 /nfs/dbraw/zinc/66/79/45/572667945.db2.gz UPFPZDLBIWQHQZ-QWRGUYRKSA-N 0 0 152.281 3.779 10 30 AHEERN C=C[C@H](C)C1(C#N)CCC(C)CC1 ZINC000306421235 345278468 /nfs/dbraw/zinc/27/84/68/345278468.db2.gz GWDBXLZLFQMDBK-CXQJBGSLSA-N 0 0 177.291 3.529 10 30 AHEERN C=C[C@@H](C)C1(C#N)CCC(C)CC1 ZINC000306421236 345278145 /nfs/dbraw/zinc/27/81/45/345278145.db2.gz GWDBXLZLFQMDBK-MOENNCHZSA-N 0 0 177.291 3.529 10 30 AHEERN N#CC1(C2CC2)CCCCCCC1 ZINC000306441495 345302175 /nfs/dbraw/zinc/30/21/75/345302175.db2.gz SYBMKWZYZHJTGT-UHFFFAOYSA-N 0 0 177.291 3.651 10 30 AHEERN CC(C)C1CCC(C#N)(C2CC2)CC1 ZINC000306443616 345304235 /nfs/dbraw/zinc/30/42/35/345304235.db2.gz QNPFBYKLALGVTH-UHFFFAOYSA-N 0 0 191.318 3.753 10 30 AHEERN CC[C@](C)(C#N)CC1(C)CCC1 ZINC000306448274 345308145 /nfs/dbraw/zinc/30/81/45/345308145.db2.gz HWTCEUGIARLAHQ-JTQLQIEISA-N 0 0 165.280 3.507 10 30 AHEERN CC[C@@](C)(C#N)CC1(C)CCC1 ZINC000306448357 345308105 /nfs/dbraw/zinc/30/81/05/345308105.db2.gz HWTCEUGIARLAHQ-SNVBAGLBSA-N 0 0 165.280 3.507 10 30 AHEERN CC[C@@H](C)[C@@H](C)C1(C#N)CCCC1 ZINC000306465217 345325462 /nfs/dbraw/zinc/32/54/62/345325462.db2.gz AZEJXEQAJXCKGB-GHMZBOCLSA-N 0 0 179.307 3.753 10 30 AHEERN CC[C@@H](C)[C@H](C)C1(C#N)CCCC1 ZINC000306465219 345325989 /nfs/dbraw/zinc/32/59/89/345325989.db2.gz AZEJXEQAJXCKGB-MNOVXSKESA-N 0 0 179.307 3.753 10 30 AHEERN CC[C@H](C)[C@H](C)C1(C#N)CCCC1 ZINC000306465221 345325915 /nfs/dbraw/zinc/32/59/15/345325915.db2.gz AZEJXEQAJXCKGB-QWRGUYRKSA-N 0 0 179.307 3.753 10 30 AHEERN CC[C@H](C)[C@@H](C)C1(C#N)CCCC1 ZINC000306465224 345326088 /nfs/dbraw/zinc/32/60/88/345326088.db2.gz AZEJXEQAJXCKGB-WDEREUQCSA-N 0 0 179.307 3.753 10 30 AHEERN CC1CCC(CC2(C=O)CCC2)CC1 ZINC000306467596 345328574 /nfs/dbraw/zinc/32/85/74/345328574.db2.gz MLDWRPFMTVPSNH-UHFFFAOYSA-N 0 0 194.318 3.572 10 30 AHEERN CC(C)=CC[C@]1(C=O)CCC[C@@H](C)C1 ZINC000306469989 345332872 /nfs/dbraw/zinc/33/28/72/345332872.db2.gz PYGFVYOHPQKQNZ-CHWSQXEVSA-N 0 0 194.318 3.738 10 30 AHEERN CC(C)=CC[C@@]1(C=O)CCC[C@@H](C)C1 ZINC000306469990 345332863 /nfs/dbraw/zinc/33/28/63/345332863.db2.gz PYGFVYOHPQKQNZ-OLZOCXBDSA-N 0 0 194.318 3.738 10 30 AHEERN CC(C)=CC[C@]1(C=O)CCC[C@H](C)C1 ZINC000306469991 345332792 /nfs/dbraw/zinc/33/27/92/345332792.db2.gz PYGFVYOHPQKQNZ-QWHCGFSZSA-N 0 0 194.318 3.738 10 30 AHEERN CC(C)=CC[C@@]1(C=O)CCC[C@H](C)C1 ZINC000306469992 345332825 /nfs/dbraw/zinc/33/28/25/345332825.db2.gz PYGFVYOHPQKQNZ-STQMWFEESA-N 0 0 194.318 3.738 10 30 AHEERN C[C@H]1CCCC[C@@]1(C=O)CC1CCC1 ZINC000306476479 345342185 /nfs/dbraw/zinc/34/21/85/345342185.db2.gz YBPFFTLMSNYYHE-AAEUAGOBSA-N 0 0 194.318 3.572 10 30 AHEERN C[C@@H]1CCCC[C@]1(C=O)CC1CCC1 ZINC000306476480 345342367 /nfs/dbraw/zinc/34/23/67/345342367.db2.gz YBPFFTLMSNYYHE-DGCLKSJQSA-N 0 0 194.318 3.572 10 30 AHEERN C[C@H]1CCCC[C@]1(C=O)CC1CCC1 ZINC000306476481 345342173 /nfs/dbraw/zinc/34/21/73/345342173.db2.gz YBPFFTLMSNYYHE-WCQYABFASA-N 0 0 194.318 3.572 10 30 AHEERN C[C@@H]1CCCC[C@@]1(C=O)CC1CCC1 ZINC000306476482 345342237 /nfs/dbraw/zinc/34/22/37/345342237.db2.gz YBPFFTLMSNYYHE-YPMHNXCESA-N 0 0 194.318 3.572 10 30 AHEERN CC#CCCS[C@H]1CCC[C@@H](C)C1 ZINC000306484535 572661448 /nfs/dbraw/zinc/66/14/48/572661448.db2.gz GCLPNAWQVGKOCF-NEPJUHHUSA-N 0 0 196.359 3.712 10 30 AHEERN CC#CCCS[C@@H]1CCC[C@@H](C)C1 ZINC000306484538 572634020 /nfs/dbraw/zinc/63/40/20/572634020.db2.gz GCLPNAWQVGKOCF-VXGBXAGGSA-N 0 0 196.359 3.712 10 30 AHEERN CC(C)C[C@@H](C)C1=CC(=O)C[C@H](C)C1 ZINC000306493536 345366765 /nfs/dbraw/zinc/36/67/65/345366765.db2.gz SCWLUSDTQFRPHS-GHMZBOCLSA-N 0 0 194.318 3.594 10 30 AHEERN CC(C)C[C@H](C)C1=CC(=O)C[C@H](C)C1 ZINC000306493539 345366736 /nfs/dbraw/zinc/36/67/36/345366736.db2.gz SCWLUSDTQFRPHS-MNOVXSKESA-N 0 0 194.318 3.594 10 30 AHEERN CC(C)C[C@H](C)C1=CC(=O)C[C@@H](C)C1 ZINC000306493542 345366523 /nfs/dbraw/zinc/36/65/23/345366523.db2.gz SCWLUSDTQFRPHS-QWRGUYRKSA-N 0 0 194.318 3.594 10 30 AHEERN CC(C)C[C@@H](C)C1=CC(=O)C[C@@H](C)C1 ZINC000306493545 345366537 /nfs/dbraw/zinc/36/65/37/345366537.db2.gz SCWLUSDTQFRPHS-WDEREUQCSA-N 0 0 194.318 3.594 10 30 AHEERN C=C(C)COc1ccc(Cl)c(C)c1 ZINC000306496647 345370724 /nfs/dbraw/zinc/37/07/24/345370724.db2.gz YBMKTESVZRVRCX-UHFFFAOYSA-N 0 0 196.677 3.603 10 30 AHEERN C=C[C@H](C)Sc1cccc(C)c1 ZINC000306531357 345403009 /nfs/dbraw/zinc/40/30/09/345403009.db2.gz KSXCQSWGKZOTRK-JTQLQIEISA-N 0 0 178.300 3.662 10 30 AHEERN C=C[C@@H](C)Sc1cccc(C)c1 ZINC000306531358 345403275 /nfs/dbraw/zinc/40/32/75/345403275.db2.gz KSXCQSWGKZOTRK-SNVBAGLBSA-N 0 0 178.300 3.662 10 30 AHEERN C=C[C@@H](C)Sc1ccc(C)cc1 ZINC000306535991 572694582 /nfs/dbraw/zinc/69/45/82/572694582.db2.gz PYXTZOKYLWAKMI-SNVBAGLBSA-N 0 0 178.300 3.662 10 30 AHEERN CC(C)[C@@H](C)C1(C#N)CCCCC1 ZINC000306537546 345410703 /nfs/dbraw/zinc/41/07/03/345410703.db2.gz LLRLIHDHHJZFHG-LLVKDONJSA-N 0 0 179.307 3.753 10 30 AHEERN CC(C)[C@H](C)C1(C#N)CCCCC1 ZINC000306537549 345410730 /nfs/dbraw/zinc/41/07/30/345410730.db2.gz LLRLIHDHHJZFHG-NSHDSACASA-N 0 0 179.307 3.753 10 30 AHEERN CC#CCCC1(C#N)CCCCCC1 ZINC000306540287 345414190 /nfs/dbraw/zinc/41/41/90/345414190.db2.gz OROUTGFZVAYIEC-UHFFFAOYSA-N 0 0 189.302 3.654 10 30 AHEERN CC1CCC(CC2(C#N)CC2)CC1 ZINC000306551389 345426996 /nfs/dbraw/zinc/42/69/96/345426996.db2.gz AGPPXKPXJUUSBZ-UHFFFAOYSA-N 0 0 177.291 3.507 10 30 AHEERN C=C(C)Cc1cc(CC)ccc1C ZINC000306558459 572686039 /nfs/dbraw/zinc/68/60/39/572686039.db2.gz KJGREOGSBKQHLC-UHFFFAOYSA-N 0 0 174.287 3.676 10 30 AHEERN CC(C)C[C@]1(C#N)CCCC[C@H]1C ZINC000306565214 345441012 /nfs/dbraw/zinc/44/10/12/345441012.db2.gz XRTYNJUVRLCRDO-NEPJUHHUSA-N 0 0 179.307 3.753 10 30 AHEERN CC(C)C[C@@]1(C#N)CCCC[C@@H]1C ZINC000306565215 345441100 /nfs/dbraw/zinc/44/11/00/345441100.db2.gz XRTYNJUVRLCRDO-NWDGAFQWSA-N 0 0 179.307 3.753 10 30 AHEERN CC(C)C[C@]1(C#N)CCCC[C@@H]1C ZINC000306565519 345441720 /nfs/dbraw/zinc/44/17/20/345441720.db2.gz XRTYNJUVRLCRDO-RYUDHWBXSA-N 0 0 179.307 3.753 10 30 AHEERN CC(C)C[C@@]1(C#N)CCCC[C@H]1C ZINC000306565520 345441628 /nfs/dbraw/zinc/44/16/28/345441628.db2.gz XRTYNJUVRLCRDO-VXGBXAGGSA-N 0 0 179.307 3.753 10 30 AHEERN CC(=O)/C(C)=C/C1CCC(C)(C)CC1 ZINC000306571133 345448593 /nfs/dbraw/zinc/44/85/93/345448593.db2.gz ZXBXRQYELYTXLI-MDZDMXLPSA-N 0 0 194.318 3.738 10 30 AHEERN CC[C@H]1CCC[C@@](C#N)(C2CC2)C1 ZINC000306574628 345451847 /nfs/dbraw/zinc/45/18/47/345451847.db2.gz RRCWRVMGUJUDRY-CMPLNLGQSA-N 0 0 177.291 3.507 10 30 AHEERN CC[C@H]1CCC[C@](C#N)(C2CC2)C1 ZINC000306574629 345451946 /nfs/dbraw/zinc/45/19/46/345451946.db2.gz RRCWRVMGUJUDRY-JQWIXIFHSA-N 0 0 177.291 3.507 10 30 AHEERN CC[C@@H]1CCC[C@](C#N)(C2CC2)C1 ZINC000306574630 345451640 /nfs/dbraw/zinc/45/16/40/345451640.db2.gz RRCWRVMGUJUDRY-PWSUYJOCSA-N 0 0 177.291 3.507 10 30 AHEERN CC[C@@H]1CCC[C@@](C#N)(C2CC2)C1 ZINC000306574631 345452056 /nfs/dbraw/zinc/45/20/56/345452056.db2.gz RRCWRVMGUJUDRY-ZYHUDNBSSA-N 0 0 177.291 3.507 10 30 AHEERN C/C=C/CC1(C#N)CCCCCC1 ZINC000306612775 351950916 /nfs/dbraw/zinc/95/09/16/351950916.db2.gz JDTWFUBWROERBZ-NSCUHMNNSA-N 0 0 177.291 3.817 10 30 AHEERN CC[C@](C)(C#N)C1C[C@@H](C)C[C@H](C)C1 ZINC000306620377 345493517 /nfs/dbraw/zinc/49/35/17/345493517.db2.gz WWGUUJTYYNCVQF-GMXVVIOVSA-N 0 0 193.334 3.999 10 30 AHEERN CC[C@@](C)(C#N)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000306620378 345493381 /nfs/dbraw/zinc/49/33/81/345493381.db2.gz WWGUUJTYYNCVQF-LOWDOPEQSA-N 0 0 193.334 3.999 10 30 AHEERN CC[C@](C)(C#N)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000306620379 345493498 /nfs/dbraw/zinc/49/34/98/345493498.db2.gz WWGUUJTYYNCVQF-MROQNXINSA-N 0 0 193.334 3.999 10 30 AHEERN CC[C@](C)(C#N)C1C[C@H](C)C[C@@H](C)C1 ZINC000306620380 345493385 /nfs/dbraw/zinc/49/33/85/345493385.db2.gz WWGUUJTYYNCVQF-NQBHXWOUSA-N 0 0 193.334 3.999 10 30 AHEERN CC[C@@H]1CCC[C@](C#N)(C(C)C)C1 ZINC000306636860 345505019 /nfs/dbraw/zinc/50/50/19/345505019.db2.gz BEEMRTACMMTEAJ-NEPJUHHUSA-N 0 0 179.307 3.753 10 30 AHEERN CC[C@H]1CCC[C@@](C#N)(C(C)C)C1 ZINC000306636864 345505118 /nfs/dbraw/zinc/50/51/18/345505118.db2.gz BEEMRTACMMTEAJ-NWDGAFQWSA-N 0 0 179.307 3.753 10 30 AHEERN CC[C@H]1CCC[C@](C#N)(C(C)C)C1 ZINC000306636867 345505041 /nfs/dbraw/zinc/50/50/41/345505041.db2.gz BEEMRTACMMTEAJ-RYUDHWBXSA-N 0 0 179.307 3.753 10 30 AHEERN CC[C@@H]1CCC[C@@](C#N)(C(C)C)C1 ZINC000306636871 345505109 /nfs/dbraw/zinc/50/51/09/345505109.db2.gz BEEMRTACMMTEAJ-VXGBXAGGSA-N 0 0 179.307 3.753 10 30 AHEERN CC1(C)CCC(C=O)(CC2CC2)CC1 ZINC000306638299 345505945 /nfs/dbraw/zinc/50/59/45/345505945.db2.gz BTWRXFCVASEVBK-UHFFFAOYSA-N 0 0 194.318 3.572 10 30 AHEERN C=CC1(C)CCCCCC1 ZINC000306642141 572736023 /nfs/dbraw/zinc/73/60/23/572736023.db2.gz RUPVPERJUVUDGD-UHFFFAOYSA-N 0 0 138.254 3.533 10 30 AHEERN C=C[C@@H](C)n1ccc2ccc(C)cc21 ZINC000306654465 572727832 /nfs/dbraw/zinc/72/78/32/572727832.db2.gz WIRLCZPXRPLJRT-LLVKDONJSA-N 0 0 185.270 3.697 10 30 AHEERN C=C(C)Cc1cccc(CC)c1C ZINC000306656386 572740417 /nfs/dbraw/zinc/74/04/17/572740417.db2.gz ZPLDBIWWFWMLHC-UHFFFAOYSA-N 0 0 174.287 3.676 10 30 AHEERN C=C[C@H](C)Nc1cccc(C(F)F)c1 ZINC000306664391 572722842 /nfs/dbraw/zinc/72/28/42/572722842.db2.gz RXVGRRSZPVXPAW-QMMMGPOBSA-N 0 0 197.228 3.611 10 30 AHEERN CC[C@@H]1CCC[C@@H](C2(C#N)CC2)C1 ZINC000306673032 345534333 /nfs/dbraw/zinc/53/43/33/345534333.db2.gz MSFYPAUPVNTVKP-GHMZBOCLSA-N 0 0 177.291 3.507 10 30 AHEERN CC[C@@H]1CCC[C@H](C2(C#N)CC2)C1 ZINC000306673033 345534349 /nfs/dbraw/zinc/53/43/49/345534349.db2.gz MSFYPAUPVNTVKP-MNOVXSKESA-N 0 0 177.291 3.507 10 30 AHEERN CC[C@H]1CCC[C@H](C2(C#N)CC2)C1 ZINC000306673034 345534282 /nfs/dbraw/zinc/53/42/82/345534282.db2.gz MSFYPAUPVNTVKP-QWRGUYRKSA-N 0 0 177.291 3.507 10 30 AHEERN CC[C@H]1CCC[C@@H](C2(C#N)CC2)C1 ZINC000306673035 345534431 /nfs/dbraw/zinc/53/44/31/345534431.db2.gz MSFYPAUPVNTVKP-WDEREUQCSA-N 0 0 177.291 3.507 10 30 AHEERN N#CC1(C2CCC2)CCCCCC1 ZINC000306722262 345573063 /nfs/dbraw/zinc/57/30/63/345573063.db2.gz FPQXYRUAPVSEDO-UHFFFAOYSA-N 0 0 177.291 3.651 10 30 AHEERN C/C=C/CC1(C#N)CCC(C)CC1 ZINC000306724325 345574402 /nfs/dbraw/zinc/57/44/02/345574402.db2.gz IKYPKGCPNLGNDI-ONEGZZNKSA-N 0 0 177.291 3.673 10 30 AHEERN C[C@@H]1CC[C@@H](C(C)(C)C#N)C[C@H]1C ZINC000306725359 345576338 /nfs/dbraw/zinc/57/63/38/345576338.db2.gz KIQVMEGSHOEKSI-GMTAPVOTSA-N 0 0 179.307 3.608 10 30 AHEERN C[C@@H]1CC[C@H](C(C)(C)C#N)C[C@H]1C ZINC000306725360 345575789 /nfs/dbraw/zinc/57/57/89/345575789.db2.gz KIQVMEGSHOEKSI-MXWKQRLJSA-N 0 0 179.307 3.608 10 30 AHEERN C[C@@H]1CC[C@@H](C(C)(C)C#N)C[C@@H]1C ZINC000306725361 345576361 /nfs/dbraw/zinc/57/63/61/345576361.db2.gz KIQVMEGSHOEKSI-OUAUKWLOSA-N 0 0 179.307 3.608 10 30 AHEERN C[C@@H]1CC[C@H](C(C)(C)C#N)C[C@@H]1C ZINC000306725362 345576283 /nfs/dbraw/zinc/57/62/83/345576283.db2.gz KIQVMEGSHOEKSI-VWYCJHECSA-N 0 0 179.307 3.608 10 30 AHEERN C[C@H]1CCC[C@](C#N)(CC2CC2)C1 ZINC000306734620 345582179 /nfs/dbraw/zinc/58/21/79/345582179.db2.gz VANXBNURMNVXEM-CMPLNLGQSA-N 0 0 177.291 3.507 10 30 AHEERN C[C@H]1CCC[C@@](C#N)(CC2CC2)C1 ZINC000306734621 345582453 /nfs/dbraw/zinc/58/24/53/345582453.db2.gz VANXBNURMNVXEM-JQWIXIFHSA-N 0 0 177.291 3.507 10 30 AHEERN C[C@@H]1CCC[C@@](C#N)(CC2CC2)C1 ZINC000306734622 345582566 /nfs/dbraw/zinc/58/25/66/345582566.db2.gz VANXBNURMNVXEM-PWSUYJOCSA-N 0 0 177.291 3.507 10 30 AHEERN C[C@@H]1CCC[C@](C#N)(CC2CC2)C1 ZINC000306734623 345582528 /nfs/dbraw/zinc/58/25/28/345582528.db2.gz VANXBNURMNVXEM-ZYHUDNBSSA-N 0 0 177.291 3.507 10 30 AHEERN C[C@H]1CC(C(C)(C)C#N)C[C@H](C)C1 ZINC000306735934 345583368 /nfs/dbraw/zinc/58/33/68/345583368.db2.gz WUTWFGUAUVZVHI-NXEZZACHSA-N 0 0 179.307 3.608 10 30 AHEERN C[C@H]1C[C@H](C(C)(C)C#N)C[C@@H](C)C1 ZINC000306735935 345583242 /nfs/dbraw/zinc/58/32/42/345583242.db2.gz WUTWFGUAUVZVHI-URLYPYJESA-N 0 0 179.307 3.608 10 30 AHEERN C[C@@H]1CC(C(C)(C)C#N)C[C@@H](C)C1 ZINC000306735936 345583079 /nfs/dbraw/zinc/58/30/79/345583079.db2.gz WUTWFGUAUVZVHI-UWVGGRQHSA-N 0 0 179.307 3.608 10 30 AHEERN CC[C@@H]1CCCC[C@H]1C1(C#N)CC1 ZINC000306764761 345599850 /nfs/dbraw/zinc/59/98/50/345599850.db2.gz VMCQZYNWPBHLRM-GHMZBOCLSA-N 0 0 177.291 3.507 10 30 AHEERN CC[C@@H]1CCCC[C@@H]1C1(C#N)CC1 ZINC000306764764 345599995 /nfs/dbraw/zinc/59/99/95/345599995.db2.gz VMCQZYNWPBHLRM-MNOVXSKESA-N 0 0 177.291 3.507 10 30 AHEERN CC[C@H]1CCCC[C@@H]1C1(C#N)CC1 ZINC000306764767 345599803 /nfs/dbraw/zinc/59/98/03/345599803.db2.gz VMCQZYNWPBHLRM-QWRGUYRKSA-N 0 0 177.291 3.507 10 30 AHEERN CC[C@H]1CCCC[C@H]1C1(C#N)CC1 ZINC000306764770 345599739 /nfs/dbraw/zinc/59/97/39/345599739.db2.gz VMCQZYNWPBHLRM-WDEREUQCSA-N 0 0 177.291 3.507 10 30 AHEERN CC[C@@H]1CCCC[C@@H]1C1(C#N)CCC1 ZINC000306820298 345635788 /nfs/dbraw/zinc/63/57/88/345635788.db2.gz IQCQEQWJSONLTP-NEPJUHHUSA-N 0 0 191.318 3.897 10 30 AHEERN CC[C@H]1CCCC[C@H]1C1(C#N)CCC1 ZINC000306820301 345635901 /nfs/dbraw/zinc/63/59/01/345635901.db2.gz IQCQEQWJSONLTP-NWDGAFQWSA-N 0 0 191.318 3.897 10 30 AHEERN CC[C@H]1CCCC[C@@H]1C1(C#N)CCC1 ZINC000306820304 345635466 /nfs/dbraw/zinc/63/54/66/345635466.db2.gz IQCQEQWJSONLTP-RYUDHWBXSA-N 0 0 191.318 3.897 10 30 AHEERN CC[C@@H]1CCCC[C@H]1C1(C#N)CCC1 ZINC000306820306 345635462 /nfs/dbraw/zinc/63/54/62/345635462.db2.gz IQCQEQWJSONLTP-VXGBXAGGSA-N 0 0 191.318 3.897 10 30 AHEERN C[C@@H]1CC[C@](C#N)([C@H]2C=CCCC2)C1 ZINC000306823447 345638394 /nfs/dbraw/zinc/63/83/94/345638394.db2.gz QHOYMSKWEZPTGV-AGIUHOORSA-N 0 0 189.302 3.673 10 30 AHEERN C[C@@H]1CC[C@@](C#N)([C@H]2C=CCCC2)C1 ZINC000306823448 345638287 /nfs/dbraw/zinc/63/82/87/345638287.db2.gz QHOYMSKWEZPTGV-FRRDWIJNSA-N 0 0 189.302 3.673 10 30 AHEERN C[C@@H]1CC[C@@](C#N)([C@@H]2C=CCCC2)C1 ZINC000306823449 345637995 /nfs/dbraw/zinc/63/79/95/345637995.db2.gz QHOYMSKWEZPTGV-JHJVBQTASA-N 0 0 189.302 3.673 10 30 AHEERN C[C@@H]1CC[C@](C#N)([C@@H]2C=CCCC2)C1 ZINC000306823450 345638383 /nfs/dbraw/zinc/63/83/83/345638383.db2.gz QHOYMSKWEZPTGV-UPJWGTAASA-N 0 0 189.302 3.673 10 30 AHEERN C=CCc1sc2ccccc2c1C ZINC000306823698 572781478 /nfs/dbraw/zinc/78/14/78/572781478.db2.gz UJQBRDGWFPNPME-UHFFFAOYSA-N 0 0 188.295 3.938 10 30 AHEERN C=C[C@@H](C)Nc1ccc(C(F)F)cc1 ZINC000306842951 345651530 /nfs/dbraw/zinc/65/15/30/345651530.db2.gz CEMYXGOBAIDZBO-MRVPVSSYSA-N 0 0 197.228 3.611 10 30 AHEERN C=C[C@H](C)Nc1ccc(C(F)F)cc1 ZINC000306842952 345651618 /nfs/dbraw/zinc/65/16/18/345651618.db2.gz CEMYXGOBAIDZBO-QMMMGPOBSA-N 0 0 197.228 3.611 10 30 AHEERN C=CCC[C@@]1(O)CCCC(C)(C)CC1 ZINC000306844488 572783015 /nfs/dbraw/zinc/78/30/15/572783015.db2.gz FDLWCCSBLFXWEO-CYBMUJFWSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCC[C@@H]1CCCCC1(F)F ZINC000306846109 572785458 /nfs/dbraw/zinc/78/54/58/572785458.db2.gz JROSZKFLEKJVPO-SECBINFHSA-N 0 0 174.234 3.778 10 30 AHEERN C=CCC[C@H]1CCCCC1(F)F ZINC000306846110 572804348 /nfs/dbraw/zinc/80/43/48/572804348.db2.gz JROSZKFLEKJVPO-VIFPVBQESA-N 0 0 174.234 3.778 10 30 AHEERN C=C1CCC[C@H](C)[C@@]1(C)CC[C@H](C)O ZINC000306896413 572804691 /nfs/dbraw/zinc/80/46/91/572804691.db2.gz PRKFBEXDMHYSNH-AVGNSLFASA-N 0 0 196.334 3.530 10 30 AHEERN C=C1CCC[C@H](C)[C@@]1(C)CC[C@@H](C)O ZINC000306896414 572822432 /nfs/dbraw/zinc/82/24/32/572822432.db2.gz PRKFBEXDMHYSNH-XQQFMLRXSA-N 0 0 196.334 3.530 10 30 AHEERN C=C[C@@H](C)Oc1ccc(Cl)cc1C ZINC000306952641 572843909 /nfs/dbraw/zinc/84/39/09/572843909.db2.gz DBCXGDBLRVMWQW-SECBINFHSA-N 0 0 196.677 3.602 10 30 AHEERN C=C[C@H](C)Oc1ccc(Cl)cc1C ZINC000306952646 572846864 /nfs/dbraw/zinc/84/68/64/572846864.db2.gz DBCXGDBLRVMWQW-VIFPVBQESA-N 0 0 196.677 3.602 10 30 AHEERN C=C[C@H](C)Sc1ccccc1C ZINC000306964071 572825109 /nfs/dbraw/zinc/82/51/09/572825109.db2.gz MBDSKPXIGBEIEM-JTQLQIEISA-N 0 0 178.300 3.662 10 30 AHEERN C=C[C@@H](C)Sc1ccccc1C ZINC000306964072 572826023 /nfs/dbraw/zinc/82/60/23/572826023.db2.gz MBDSKPXIGBEIEM-SNVBAGLBSA-N 0 0 178.300 3.662 10 30 AHEERN C=CCc1ccc2sccc2c1 ZINC000307003971 572329824 /nfs/dbraw/zinc/32/98/24/572329824.db2.gz DSAUUMSWLPHYPH-UHFFFAOYSA-N 0 0 174.268 3.630 10 30 AHEERN CC(C)C1(C=O)CCCCCCC1 ZINC000307020851 345758569 /nfs/dbraw/zinc/75/85/69/345758569.db2.gz FUXOGPABTOHNSY-UHFFFAOYSA-N 0 0 182.307 3.572 10 30 AHEERN C(#Cc1ccccc1)CC1=CCCC1 ZINC000307051211 572869081 /nfs/dbraw/zinc/86/90/81/572869081.db2.gz IPSOYFBTSOUMQH-UHFFFAOYSA-N 0 0 182.266 3.539 10 30 AHEERN C=C(CC1=CCCC1)C(F)(F)F ZINC000307122336 572344399 /nfs/dbraw/zinc/34/43/99/572344399.db2.gz LMVXLKSFZGAUNU-UHFFFAOYSA-N 0 0 176.181 3.605 10 30 AHEERN CC(C)C[C@H](C)[C@@]1(C#N)CC[C@@H](C)C1 ZINC000307156893 345849112 /nfs/dbraw/zinc/84/91/12/345849112.db2.gz GNDNTQFDJSYZGC-AGIUHOORSA-N 0 0 193.334 3.999 10 30 AHEERN CC(C)C[C@H](C)[C@@]1(C#N)CC[C@H](C)C1 ZINC000307156896 345848846 /nfs/dbraw/zinc/84/88/46/345848846.db2.gz GNDNTQFDJSYZGC-AVGNSLFASA-N 0 0 193.334 3.999 10 30 AHEERN CC(C)C[C@H](C)[C@]1(C#N)CC[C@@H](C)C1 ZINC000307156899 345848835 /nfs/dbraw/zinc/84/88/35/345848835.db2.gz GNDNTQFDJSYZGC-FRRDWIJNSA-N 0 0 193.334 3.999 10 30 AHEERN CC(C)C[C@H](C)[C@]1(C#N)CC[C@H](C)C1 ZINC000307156901 345849270 /nfs/dbraw/zinc/84/92/70/345849270.db2.gz GNDNTQFDJSYZGC-RWMBFGLXSA-N 0 0 193.334 3.999 10 30 AHEERN C=CCC1(C#N)CCC(CC)CC1 ZINC000307157439 345849274 /nfs/dbraw/zinc/84/92/74/345849274.db2.gz YCJJPHJQFBJYSO-UHFFFAOYSA-N 0 0 177.291 3.673 10 30 AHEERN C=CCC[C@]1(O)C[C@@H](C)CC(C)(C)C1 ZINC000307162504 572398571 /nfs/dbraw/zinc/39/85/71/572398571.db2.gz HFODOYMHMMXIEW-AAEUAGOBSA-N 0 0 196.334 3.530 10 30 AHEERN C=CCC[C@@]1(O)C[C@H](C)CC(C)(C)C1 ZINC000307162506 572367559 /nfs/dbraw/zinc/36/75/59/572367559.db2.gz HFODOYMHMMXIEW-DGCLKSJQSA-N 0 0 196.334 3.530 10 30 AHEERN C=CCC[C@@]1(O)C[C@@H](C)CC(C)(C)C1 ZINC000307162507 572355110 /nfs/dbraw/zinc/35/51/10/572355110.db2.gz HFODOYMHMMXIEW-WCQYABFASA-N 0 0 196.334 3.530 10 30 AHEERN C=CCC[C@]1(O)C[C@H](C)CC(C)(C)C1 ZINC000307162508 572386855 /nfs/dbraw/zinc/38/68/55/572386855.db2.gz HFODOYMHMMXIEW-YPMHNXCESA-N 0 0 196.334 3.530 10 30 AHEERN C=C(C)COc1ccc(Cl)cc1C ZINC000307167208 345859571 /nfs/dbraw/zinc/85/95/71/345859571.db2.gz QYODBTKJBNXWQN-UHFFFAOYSA-N 0 0 196.677 3.603 10 30 AHEERN CCC1CCC(C2(C#N)CCC2)CC1 ZINC000307179243 345868935 /nfs/dbraw/zinc/86/89/35/345868935.db2.gz KEVHHCRACUXXHJ-UHFFFAOYSA-N 0 0 191.318 3.897 10 30 AHEERN C=C(C)CS[C@@H]1CCC[C@@H](C)C1 ZINC000307195260 572390345 /nfs/dbraw/zinc/39/03/45/572390345.db2.gz RBQYYUUSWWTXPR-GHMZBOCLSA-N 0 0 184.348 3.874 10 30 AHEERN C=C(C)CS[C@H]1CCC[C@@H](C)C1 ZINC000307195261 572388234 /nfs/dbraw/zinc/38/82/34/572388234.db2.gz RBQYYUUSWWTXPR-MNOVXSKESA-N 0 0 184.348 3.874 10 30 AHEERN C=C(C)CS[C@H]1CCC[C@H](C)C1 ZINC000307195262 572388962 /nfs/dbraw/zinc/38/89/62/572388962.db2.gz RBQYYUUSWWTXPR-QWRGUYRKSA-N 0 0 184.348 3.874 10 30 AHEERN C=C(C)CS[C@@H]1CCC[C@H](C)C1 ZINC000307195263 572390262 /nfs/dbraw/zinc/39/02/62/572390262.db2.gz RBQYYUUSWWTXPR-WDEREUQCSA-N 0 0 184.348 3.874 10 30 AHEERN C=C[C@@H](C)Sc1ccc(C)c(C)c1 ZINC000307198731 572377604 /nfs/dbraw/zinc/37/76/04/572377604.db2.gz YORROMFHAQFUPN-LLVKDONJSA-N 0 0 192.327 3.970 10 30 AHEERN C=C[C@H](C)Sc1ccc(C)c(C)c1 ZINC000307198732 572387965 /nfs/dbraw/zinc/38/79/65/572387965.db2.gz YORROMFHAQFUPN-NSHDSACASA-N 0 0 192.327 3.970 10 30 AHEERN CC(C)CC[C@]1(C#N)CCC[C@H]1C ZINC000307235805 345911915 /nfs/dbraw/zinc/91/19/15/345911915.db2.gz FUKLSNCMLIGRFJ-NEPJUHHUSA-N 0 0 179.307 3.753 10 30 AHEERN CC(C)CC[C@@]1(C#N)CCC[C@@H]1C ZINC000307235806 345911927 /nfs/dbraw/zinc/91/19/27/345911927.db2.gz FUKLSNCMLIGRFJ-NWDGAFQWSA-N 0 0 179.307 3.753 10 30 AHEERN CC(C)CC[C@]1(C#N)CCC[C@@H]1C ZINC000307235807 345912240 /nfs/dbraw/zinc/91/22/40/345912240.db2.gz FUKLSNCMLIGRFJ-RYUDHWBXSA-N 0 0 179.307 3.753 10 30 AHEERN CC(C)CC[C@@]1(C#N)CCC[C@H]1C ZINC000307235808 345912246 /nfs/dbraw/zinc/91/22/46/345912246.db2.gz FUKLSNCMLIGRFJ-VXGBXAGGSA-N 0 0 179.307 3.753 10 30 AHEERN C=CC(=O)c1ccc2ccccc2c1C ZINC000307238024 345914019 /nfs/dbraw/zinc/91/40/19/345914019.db2.gz GXQXLOAVBYUMTG-UHFFFAOYSA-N 0 0 196.249 3.517 10 30 AHEERN C[C@@H]1CCCC[C@]1(C#N)C/C=C/Cl ZINC000307250192 345922371 /nfs/dbraw/zinc/92/23/71/345922371.db2.gz PFVRQWUMMQRVBO-FVCIQNSBSA-N 0 0 197.709 3.849 10 30 AHEERN C[C@@H]1CCCC[C@@]1(C#N)C/C=C/Cl ZINC000307250193 345922332 /nfs/dbraw/zinc/92/23/32/345922332.db2.gz PFVRQWUMMQRVBO-KLIGILKNSA-N 0 0 197.709 3.849 10 30 AHEERN C[C@@H]1CCC[C@@]1(C#N)[C@H]1C=CCCC1 ZINC000307253075 345924674 /nfs/dbraw/zinc/92/46/74/345924674.db2.gz UMNSBEJNTUKGHT-AGIUHOORSA-N 0 0 189.302 3.673 10 30 AHEERN C[C@@H]1CCC[C@]1(C#N)[C@H]1C=CCCC1 ZINC000307253076 345924576 /nfs/dbraw/zinc/92/45/76/345924576.db2.gz UMNSBEJNTUKGHT-FRRDWIJNSA-N 0 0 189.302 3.673 10 30 AHEERN C[C@@H]1CCC[C@]1(C#N)[C@@H]1C=CCCC1 ZINC000307253077 345924670 /nfs/dbraw/zinc/92/46/70/345924670.db2.gz UMNSBEJNTUKGHT-JHJVBQTASA-N 0 0 189.302 3.673 10 30 AHEERN C[C@@H]1CCC[C@@]1(C#N)[C@@H]1C=CCCC1 ZINC000307253078 345924687 /nfs/dbraw/zinc/92/46/87/345924687.db2.gz UMNSBEJNTUKGHT-UPJWGTAASA-N 0 0 189.302 3.673 10 30 AHEERN CC(C)C[C@H](C)[C@]1(C#N)CCC[C@H]1C ZINC000307253446 345924582 /nfs/dbraw/zinc/92/45/82/345924582.db2.gz VGFVIUCFPFRGEY-AGIUHOORSA-N 0 0 193.334 3.999 10 30 AHEERN CC(C)C[C@H](C)[C@]1(C#N)CCC[C@@H]1C ZINC000307253447 345924701 /nfs/dbraw/zinc/92/47/01/345924701.db2.gz VGFVIUCFPFRGEY-AVGNSLFASA-N 0 0 193.334 3.999 10 30 AHEERN CC(C)C[C@H](C)[C@@]1(C#N)CCC[C@H]1C ZINC000307253448 345924454 /nfs/dbraw/zinc/92/44/54/345924454.db2.gz VGFVIUCFPFRGEY-FRRDWIJNSA-N 0 0 193.334 3.999 10 30 AHEERN CC(C)C[C@H](C)[C@@]1(C#N)CCC[C@@H]1C ZINC000307253449 345925074 /nfs/dbraw/zinc/92/50/74/345925074.db2.gz VGFVIUCFPFRGEY-RWMBFGLXSA-N 0 0 193.334 3.999 10 30 AHEERN CCCCC#CS/C(C)=C/Cl ZINC000307260760 572392645 /nfs/dbraw/zinc/39/26/45/572392645.db2.gz UBOCDPOLACXWBU-CMDGGOBGSA-N 0 0 188.723 3.971 10 30 AHEERN C=CCC[C@]1(O)CCC(C)(C)C[C@@H]1C ZINC000307278655 572419600 /nfs/dbraw/zinc/41/96/00/572419600.db2.gz VBNLQIPUDMZWNV-AAEUAGOBSA-N 0 0 196.334 3.530 10 30 AHEERN C=CCC[C@@]1(O)CCC(C)(C)C[C@H]1C ZINC000307278656 572409652 /nfs/dbraw/zinc/40/96/52/572409652.db2.gz VBNLQIPUDMZWNV-DGCLKSJQSA-N 0 0 196.334 3.530 10 30 AHEERN C=CCC[C@]1(O)CCC(C)(C)C[C@H]1C ZINC000307278658 572425551 /nfs/dbraw/zinc/42/55/51/572425551.db2.gz VBNLQIPUDMZWNV-YPMHNXCESA-N 0 0 196.334 3.530 10 30 AHEERN CC1(CC2=CC(=O)CCC2)CCCC1 ZINC000307294920 345952594 /nfs/dbraw/zinc/95/25/94/345952594.db2.gz GNACGGSCTAOTOT-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN C=C[C@@H](C)Sc1ccc(C)cc1C ZINC000307296766 572428405 /nfs/dbraw/zinc/42/84/05/572428405.db2.gz OXKKVJQAGVAJSS-LLVKDONJSA-N 0 0 192.327 3.970 10 30 AHEERN C=C[C@H](C)Sc1ccc(C)cc1C ZINC000307296768 572421170 /nfs/dbraw/zinc/42/11/70/572421170.db2.gz OXKKVJQAGVAJSS-NSHDSACASA-N 0 0 192.327 3.970 10 30 AHEERN CC[C@](C)(C#N)C1CCCCCC1 ZINC000307297526 345954161 /nfs/dbraw/zinc/95/41/61/345954161.db2.gz PTHHZEZEAWZHKE-GFCCVEGCSA-N 0 0 179.307 3.897 10 30 AHEERN CC[C@@](C)(C#N)C1CCCCCC1 ZINC000307297528 345954069 /nfs/dbraw/zinc/95/40/69/345954069.db2.gz PTHHZEZEAWZHKE-LBPRGKRZSA-N 0 0 179.307 3.897 10 30 AHEERN [N-]=[N+]=Nc1cccc2ccsc21 ZINC000307329324 345974894 /nfs/dbraw/zinc/97/48/94/345974894.db2.gz LJBMWWJRDZOCNZ-UHFFFAOYSA-N 0 0 175.216 3.843 10 30 AHEERN C=C[C@@H](C)n1ccc2ccc(F)cc21 ZINC000307340295 572482057 /nfs/dbraw/zinc/48/20/57/572482057.db2.gz YBMMCIRKSTXFNI-SECBINFHSA-N 0 0 189.233 3.527 10 30 AHEERN C=C[C@H](C)n1ccc2ccc(F)cc21 ZINC000307340296 572454679 /nfs/dbraw/zinc/45/46/79/572454679.db2.gz YBMMCIRKSTXFNI-VIFPVBQESA-N 0 0 189.233 3.527 10 30 AHEERN C=C(c1ccc(C)cc1C)C(C)C ZINC000307356137 572462174 /nfs/dbraw/zinc/46/21/74/572462174.db2.gz XMHFGJRDFSAKRT-UHFFFAOYSA-N 0 0 174.287 3.973 10 30 AHEERN C=C[C@@H](C)n1ccc2cc(F)ccc21 ZINC000307392835 346013194 /nfs/dbraw/zinc/01/31/94/346013194.db2.gz ZZGFQHLRWZGDRV-SECBINFHSA-N 0 0 189.233 3.527 10 30 AHEERN C=C[C@H](C)n1ccc2cc(F)ccc21 ZINC000307392836 346012847 /nfs/dbraw/zinc/01/28/47/346012847.db2.gz ZZGFQHLRWZGDRV-VIFPVBQESA-N 0 0 189.233 3.527 10 30 AHEERN C=C(C)c1ccc2nc(C)ccc2c1 ZINC000307412924 572490516 /nfs/dbraw/zinc/49/05/16/572490516.db2.gz GWZBDTXKORSUEF-UHFFFAOYSA-N 0 0 183.254 3.576 10 30 AHEERN C[C@H]1CC[C@@](C#N)(C2CCCC2)C1 ZINC000307427200 346034645 /nfs/dbraw/zinc/03/46/45/346034645.db2.gz RDAWFSXIJFPCSR-CMPLNLGQSA-N 0 0 177.291 3.507 10 30 AHEERN C[C@H]1CC[C@](C#N)(C2CCCC2)C1 ZINC000307427201 346034706 /nfs/dbraw/zinc/03/47/06/346034706.db2.gz RDAWFSXIJFPCSR-JQWIXIFHSA-N 0 0 177.291 3.507 10 30 AHEERN C[C@@H]1CC[C@](C#N)(C2CCCC2)C1 ZINC000307427202 346034658 /nfs/dbraw/zinc/03/46/58/346034658.db2.gz RDAWFSXIJFPCSR-PWSUYJOCSA-N 0 0 177.291 3.507 10 30 AHEERN C[C@@H]1CC[C@@](C#N)(C2CCCC2)C1 ZINC000307427203 346034663 /nfs/dbraw/zinc/03/46/63/346034663.db2.gz RDAWFSXIJFPCSR-ZYHUDNBSSA-N 0 0 177.291 3.507 10 30 AHEERN C=CCc1ccc(Cl)c(C)c1F ZINC000307445523 572510383 /nfs/dbraw/zinc/51/03/83/572510383.db2.gz FRVDXJJUISQZKZ-UHFFFAOYSA-N 0 0 184.641 3.516 10 30 AHEERN C[C@@H]1CCC[C@@H](C2(C#N)CCC2)C1 ZINC000307466229 346057778 /nfs/dbraw/zinc/05/77/78/346057778.db2.gz ATQJWJDJMMYRGD-GHMZBOCLSA-N 0 0 177.291 3.507 10 30 AHEERN C[C@@H]1CCC[C@H](C2(C#N)CCC2)C1 ZINC000307466230 346057696 /nfs/dbraw/zinc/05/76/96/346057696.db2.gz ATQJWJDJMMYRGD-MNOVXSKESA-N 0 0 177.291 3.507 10 30 AHEERN C[C@H]1CCC[C@H](C2(C#N)CCC2)C1 ZINC000307466231 346057816 /nfs/dbraw/zinc/05/78/16/346057816.db2.gz ATQJWJDJMMYRGD-QWRGUYRKSA-N 0 0 177.291 3.507 10 30 AHEERN C[C@H]1CCC[C@@H](C2(C#N)CCC2)C1 ZINC000307466232 346057699 /nfs/dbraw/zinc/05/76/99/346057699.db2.gz ATQJWJDJMMYRGD-WDEREUQCSA-N 0 0 177.291 3.507 10 30 AHEERN C=C(C)C(=O)c1cccc(C(C)C)c1 ZINC000307495583 346074410 /nfs/dbraw/zinc/07/44/10/346074410.db2.gz INCCAJBKPCDXCD-UHFFFAOYSA-N 0 0 188.270 3.569 10 30 AHEERN C/C=C/C(=O)c1cccc(C(C)C)c1 ZINC000307529233 346093864 /nfs/dbraw/zinc/09/38/64/346093864.db2.gz UMCLWDKEOGGLNQ-GQCTYLIASA-N 0 0 188.270 3.569 10 30 AHEERN C=C1CCCC12CCCCC2 ZINC000307544997 572541021 /nfs/dbraw/zinc/54/10/21/572541021.db2.gz ABFLAAOSQPLUIS-UHFFFAOYSA-N 0 0 150.265 3.677 10 30 AHEERN N#CC1(C/C=C/Cl)CCCCCC1 ZINC000307575783 346123656 /nfs/dbraw/zinc/12/36/56/346123656.db2.gz JGIDDLWJPTXUOK-WEVVVXLNSA-N 0 0 197.709 3.993 10 30 AHEERN CC(C)=CC(=O)c1csc(C)c1C ZINC000307613880 346147332 /nfs/dbraw/zinc/14/73/32/346147332.db2.gz NMUOXRAVOADPDY-UHFFFAOYSA-N 0 0 194.299 3.514 10 30 AHEERN C=C1CCC[C@H](C)[C@]1(C)CC[C@H](C)O ZINC000307622346 572689932 /nfs/dbraw/zinc/68/99/32/572689932.db2.gz PRKFBEXDMHYSNH-RWMBFGLXSA-N 0 0 196.334 3.530 10 30 AHEERN C=C1CCC[C@H](C)[C@]1(C)CC[C@@H](C)O ZINC000307622347 572668715 /nfs/dbraw/zinc/66/87/15/572668715.db2.gz PRKFBEXDMHYSNH-YNEHKIRRSA-N 0 0 196.334 3.530 10 30 AHEERN C=C[C@@H](C)SC(C)(C)C(C)C ZINC000307634477 572748428 /nfs/dbraw/zinc/74/84/28/572748428.db2.gz PXDZIJCGNPOXHM-SECBINFHSA-N 0 0 172.337 3.729 10 30 AHEERN C=C[C@H](C)SC(C)(C)C(C)C ZINC000307634478 572748050 /nfs/dbraw/zinc/74/80/50/572748050.db2.gz PXDZIJCGNPOXHM-VIFPVBQESA-N 0 0 172.337 3.729 10 30 AHEERN C=C(C)c1cc(C)c2ccccc2n1 ZINC000307646717 572667468 /nfs/dbraw/zinc/66/74/68/572667468.db2.gz COBSPMSDFABBKZ-UHFFFAOYSA-N 0 0 183.254 3.576 10 30 AHEERN CCCCC#CCC/C=C/Cl ZINC000307674970 572682115 /nfs/dbraw/zinc/68/21/15/572682115.db2.gz DEHVQFBPYXBPHD-MDZDMXLPSA-N 0 0 170.683 3.713 10 30 AHEERN C/C=C/C[C@]1(C#N)CCC[C@@H](C)C1 ZINC000307692493 346187003 /nfs/dbraw/zinc/18/70/03/346187003.db2.gz SJKFYARMWJTPCV-LXYZTQFVSA-N 0 0 177.291 3.673 10 30 AHEERN C/C=C/C[C@]1(C#N)CCC[C@H](C)C1 ZINC000307692494 346187098 /nfs/dbraw/zinc/18/70/98/346187098.db2.gz SJKFYARMWJTPCV-QSKOYVBTSA-N 0 0 177.291 3.673 10 30 AHEERN N#CC1(CCF)CCCCCCC1 ZINC000307698207 346190389 /nfs/dbraw/zinc/19/03/89/346190389.db2.gz HTDXKPJKVGSJBZ-UHFFFAOYSA-N 0 0 183.270 3.600 10 30 AHEERN C=C[C@@H](C)n1ccc2cc(C)ccc21 ZINC000307720648 572796835 /nfs/dbraw/zinc/79/68/35/572796835.db2.gz UORQRVZDDYVLHI-LLVKDONJSA-N 0 0 185.270 3.697 10 30 AHEERN C=C(Cl)CSCC=C1CCC1 ZINC000307727143 572787938 /nfs/dbraw/zinc/78/79/38/572787938.db2.gz FGAFKZVLEVPZJH-UHFFFAOYSA-N 0 0 188.723 3.582 10 30 AHEERN CC[C@](C)(Cl)C#C/C(C)=C\Cl ZINC000307794935 572541943 /nfs/dbraw/zinc/54/19/43/572541943.db2.gz JRGUCYGCPFFCOY-FUOZMLNRSA-N 0 0 191.101 3.540 10 30 AHEERN CC[C@@](C)(Cl)C#C/C(C)=C\Cl ZINC000307794942 572541268 /nfs/dbraw/zinc/54/12/68/572541268.db2.gz JRGUCYGCPFFCOY-UFGYOYAJSA-N 0 0 191.101 3.540 10 30 AHEERN C=CC(C)(C)/C(Cl)=C\Cl ZINC000307842600 572599279 /nfs/dbraw/zinc/59/92/79/572599279.db2.gz FMAXWCJVYVMVGM-AATRIKPKSA-N 0 0 165.063 3.518 10 30 AHEERN C=C[C@H](C)SCCCC(C)C ZINC000307904520 572749880 /nfs/dbraw/zinc/74/98/80/572749880.db2.gz QPIDXRWZTKJHGL-JTQLQIEISA-N 0 0 172.337 3.730 10 30 AHEERN C=C[C@@H](C)SCCCC(C)C ZINC000307904521 572749375 /nfs/dbraw/zinc/74/93/75/572749375.db2.gz QPIDXRWZTKJHGL-SNVBAGLBSA-N 0 0 172.337 3.730 10 30 AHEERN C=CCC[C@@H](C)Sc1nccs1 ZINC000307939923 572803419 /nfs/dbraw/zinc/80/34/19/572803419.db2.gz BGUKDILIKBIHPK-MRVPVSSYSA-N 0 0 199.344 3.590 10 30 AHEERN C=CCC[C@H](C)Sc1nccs1 ZINC000307939924 572803274 /nfs/dbraw/zinc/80/32/74/572803274.db2.gz BGUKDILIKBIHPK-QMMMGPOBSA-N 0 0 199.344 3.590 10 30 AHEERN C=C[C@H](C)SCC1CCCCC1 ZINC000307940329 572804481 /nfs/dbraw/zinc/80/44/81/572804481.db2.gz BNMWDUXUYVRZEN-JTQLQIEISA-N 0 0 184.348 3.874 10 30 AHEERN C=C[C@@H](C)SCC1CCCCC1 ZINC000307940330 572802606 /nfs/dbraw/zinc/80/26/06/572802606.db2.gz BNMWDUXUYVRZEN-SNVBAGLBSA-N 0 0 184.348 3.874 10 30 AHEERN CCCCC[C@H]1CC[C@H](C=O)CC1 ZINC000307991783 346248258 /nfs/dbraw/zinc/24/82/58/346248258.db2.gz QFFSAGSUDNLFFK-HAQNSBGRSA-N 0 0 182.307 3.572 10 30 AHEERN CC[C@](C)(C#N)[C@H](C)CC(C)C ZINC000308002914 572378012 /nfs/dbraw/zinc/37/80/12/572378012.db2.gz JBBQDGGTVJQCAP-GHMZBOCLSA-N 0 0 167.296 3.608 10 30 AHEERN CC[C@@](C)(C#N)[C@H](C)CC(C)C ZINC000308002915 572378252 /nfs/dbraw/zinc/37/82/52/572378252.db2.gz JBBQDGGTVJQCAP-MNOVXSKESA-N 0 0 167.296 3.608 10 30 AHEERN CC[C@@](C)(C#N)[C@@H](C)CC(C)C ZINC000308002916 572378648 /nfs/dbraw/zinc/37/86/48/572378648.db2.gz JBBQDGGTVJQCAP-QWRGUYRKSA-N 0 0 167.296 3.608 10 30 AHEERN CC[C@](C)(C#N)[C@@H](C)CC(C)C ZINC000308002917 572377463 /nfs/dbraw/zinc/37/74/63/572377463.db2.gz JBBQDGGTVJQCAP-WDEREUQCSA-N 0 0 167.296 3.608 10 30 AHEERN CC(C)(C)CCCC1(C#N)CC1 ZINC000308005364 572380561 /nfs/dbraw/zinc/38/05/61/572380561.db2.gz LBNHRJTYCOAYFN-UHFFFAOYSA-N 0 0 165.280 3.507 10 30 AHEERN CCCCCCCC1(C#N)CC1 ZINC000308006971 572393180 /nfs/dbraw/zinc/39/31/80/572393180.db2.gz MVXOBGKAMNJTML-UHFFFAOYSA-N 0 0 165.280 3.651 10 30 AHEERN C=C(CC)C[C@@H](O)[C@H](CC)CC(C)C ZINC000308017413 572407789 /nfs/dbraw/zinc/40/77/89/572407789.db2.gz HJOOGCXKUGDTOV-CHWSQXEVSA-N 0 0 198.350 3.776 10 30 AHEERN C=C(CC)C[C@H](O)[C@H](CC)CC(C)C ZINC000308017415 572407435 /nfs/dbraw/zinc/40/74/35/572407435.db2.gz HJOOGCXKUGDTOV-OLZOCXBDSA-N 0 0 198.350 3.776 10 30 AHEERN C=C(CC)C[C@@H](O)[C@@H](CC)CC(C)C ZINC000308017417 572408021 /nfs/dbraw/zinc/40/80/21/572408021.db2.gz HJOOGCXKUGDTOV-QWHCGFSZSA-N 0 0 198.350 3.776 10 30 AHEERN C=C(CC)C[C@H](O)[C@@H](CC)CC(C)C ZINC000308017418 572407566 /nfs/dbraw/zinc/40/75/66/572407566.db2.gz HJOOGCXKUGDTOV-STQMWFEESA-N 0 0 198.350 3.776 10 30 AHEERN C=C(C)CC[C@@H](O)[C@H](CC)CC(C)C ZINC000308017428 572407065 /nfs/dbraw/zinc/40/70/65/572407065.db2.gz HKBMXVAMWGGRAW-CHWSQXEVSA-N 0 0 198.350 3.776 10 30 AHEERN C=C(C)CC[C@H](O)[C@H](CC)CC(C)C ZINC000308017431 572407820 /nfs/dbraw/zinc/40/78/20/572407820.db2.gz HKBMXVAMWGGRAW-OLZOCXBDSA-N 0 0 198.350 3.776 10 30 AHEERN C=C(C)CC[C@@H](O)[C@@H](CC)CC(C)C ZINC000308017433 572408018 /nfs/dbraw/zinc/40/80/18/572408018.db2.gz HKBMXVAMWGGRAW-QWHCGFSZSA-N 0 0 198.350 3.776 10 30 AHEERN C=C(C)CC[C@H](O)[C@@H](CC)CC(C)C ZINC000308017434 572407804 /nfs/dbraw/zinc/40/78/04/572407804.db2.gz HKBMXVAMWGGRAW-STQMWFEESA-N 0 0 198.350 3.776 10 30 AHEERN C=CCC[C@@H](O)[C@H](CCC)CC(C)C ZINC000308019602 572428480 /nfs/dbraw/zinc/42/84/80/572428480.db2.gz IREGWIFQSLLMHC-CHWSQXEVSA-N 0 0 198.350 3.776 10 30 AHEERN C=CCC[C@H](O)[C@H](CCC)CC(C)C ZINC000308019603 572428995 /nfs/dbraw/zinc/42/89/95/572428995.db2.gz IREGWIFQSLLMHC-OLZOCXBDSA-N 0 0 198.350 3.776 10 30 AHEERN C=CCC[C@@H](O)[C@@H](CCC)CC(C)C ZINC000308019605 572429265 /nfs/dbraw/zinc/42/92/65/572429265.db2.gz IREGWIFQSLLMHC-QWHCGFSZSA-N 0 0 198.350 3.776 10 30 AHEERN C=CCC[C@H](O)[C@@H](CCC)CC(C)C ZINC000308019608 572429114 /nfs/dbraw/zinc/42/91/14/572429114.db2.gz IREGWIFQSLLMHC-STQMWFEESA-N 0 0 198.350 3.776 10 30 AHEERN CC(C)[C@@H](C)/C=C\CCCCC=O ZINC000308042043 572502706 /nfs/dbraw/zinc/50/27/06/572502706.db2.gz BAXIBDZCHPEEJK-UPZNUWHASA-N 0 0 182.307 3.594 10 30 AHEERN CC(C)[C@H](C)/C=C/CCCCC=O ZINC000308042044 572503362 /nfs/dbraw/zinc/50/33/62/572503362.db2.gz BAXIBDZCHPEEJK-YPUOHESYSA-N 0 0 182.307 3.594 10 30 AHEERN CC(C)[C@H](C)/C=C\CCCCC=O ZINC000308042045 572501273 /nfs/dbraw/zinc/50/12/73/572501273.db2.gz BAXIBDZCHPEEJK-ZVTBTPLYSA-N 0 0 182.307 3.594 10 30 AHEERN CCCCCC/C=C/[C@H](C)CC=O ZINC000308042064 572504212 /nfs/dbraw/zinc/50/42/12/572504212.db2.gz BDXXDIRHFDNLAK-BCPZQOPPSA-N 0 0 182.307 3.738 10 30 AHEERN CCCCCC/C=C/[C@@H](C)CC=O ZINC000308042065 572503755 /nfs/dbraw/zinc/50/37/55/572503755.db2.gz BDXXDIRHFDNLAK-IDVQTMNDSA-N 0 0 182.307 3.738 10 30 AHEERN CCC[C@H]1CC[C@H](CCC=O)CC1 ZINC000308042787 572503462 /nfs/dbraw/zinc/50/34/62/572503462.db2.gz CIEWZPSVETUBSR-HAQNSBGRSA-N 0 0 182.307 3.572 10 30 AHEERN CC(C)(C)[Si](C)(C)/C=C\CCC=O ZINC000308043373 572507242 /nfs/dbraw/zinc/50/72/42/572507242.db2.gz CTDKSDIJODALAA-NTMALXAHSA-N 0 0 198.382 3.569 10 30 AHEERN CCCCCC/C=C\C[C@@H](C)C=O ZINC000308043646 572505137 /nfs/dbraw/zinc/50/51/37/572505137.db2.gz DLEGWUCOGKXGTC-JLVNDZCYSA-N 0 0 182.307 3.738 10 30 AHEERN CCCCCC/C=C\C[C@H](C)C=O ZINC000308043647 572508517 /nfs/dbraw/zinc/50/85/17/572508517.db2.gz DLEGWUCOGKXGTC-LAUAKBEESA-N 0 0 182.307 3.738 10 30 AHEERN C/C(=C\CCCC=O)C[Si](C)(C)C ZINC000308045665 572510768 /nfs/dbraw/zinc/51/07/68/572510768.db2.gz GEFVTRLHHPFZEF-DHZHZOJOSA-N 0 0 198.382 3.640 10 30 AHEERN CC(C)=CCC/C(C)=C/[C@@H](C)C=O ZINC000308047292 572514764 /nfs/dbraw/zinc/51/47/64/572514764.db2.gz HQWJTTRMZSCRQP-JATZPVMKSA-N 0 0 180.291 3.514 10 30 AHEERN CC(C)=CCC/C(C)=C/[C@H](C)C=O ZINC000308047294 572515321 /nfs/dbraw/zinc/51/53/21/572515321.db2.gz HQWJTTRMZSCRQP-OBIHZWKSSA-N 0 0 180.291 3.514 10 30 AHEERN CC(C)=CCC/C=C(\C)CCC=O ZINC000308049232 572511754 /nfs/dbraw/zinc/51/17/54/572511754.db2.gz JTSARDGPBSKKPY-XYOKQWHBSA-N 0 0 180.291 3.658 10 30 AHEERN C=CCCC(=O)[C@H](CC)CC(C)C ZINC000308051879 572515086 /nfs/dbraw/zinc/51/50/86/572515086.db2.gz FITRZCUOFYRMFD-LLVKDONJSA-N 0 0 182.307 3.594 10 30 AHEERN C=CCCC(=O)[C@@H](CC)CC(C)C ZINC000308051880 572514072 /nfs/dbraw/zinc/51/40/72/572514072.db2.gz FITRZCUOFYRMFD-NSHDSACASA-N 0 0 182.307 3.594 10 30 AHEERN CCCCC/C=C/CC(C)(C)C=O ZINC000308051941 572518313 /nfs/dbraw/zinc/51/83/13/572518313.db2.gz MDHYCSYGXLXFEH-CMDGGOBGSA-N 0 0 182.307 3.738 10 30 AHEERN CC[C@H](CC(C)C)C(=O)C=C(C)C ZINC000308052684 572535845 /nfs/dbraw/zinc/53/58/45/572535845.db2.gz GVXDOEMBZRSVQU-LLVKDONJSA-N 0 0 182.307 3.594 10 30 AHEERN CC[C@@H](CC(C)C)C(=O)C=C(C)C ZINC000308052685 572535197 /nfs/dbraw/zinc/53/51/97/572535197.db2.gz GVXDOEMBZRSVQU-NSHDSACASA-N 0 0 182.307 3.594 10 30 AHEERN C=C[C@@H](/C=C/CCCCC)CC=O ZINC000308057962 572545303 /nfs/dbraw/zinc/54/53/03/572545303.db2.gz PRJNBMNNHFSTDD-BCPZQOPPSA-N 0 0 180.291 3.514 10 30 AHEERN C=C[C@H](/C=C/CCCCC)CC=O ZINC000308057963 572545443 /nfs/dbraw/zinc/54/54/43/572545443.db2.gz PRJNBMNNHFSTDD-IDVQTMNDSA-N 0 0 180.291 3.514 10 30 AHEERN C=C(CC)CC(=O)[C@H](CC)CC(C)C ZINC000308059274 572555197 /nfs/dbraw/zinc/55/51/97/572555197.db2.gz VJCXDTXOHQABLM-GFCCVEGCSA-N 0 0 196.334 3.984 10 30 AHEERN C=C(CC)CC(=O)[C@@H](CC)CC(C)C ZINC000308059275 572554791 /nfs/dbraw/zinc/55/47/91/572554791.db2.gz VJCXDTXOHQABLM-LBPRGKRZSA-N 0 0 196.334 3.984 10 30 AHEERN CC[C@H](C)C[C@H](C)/C=C\CCC=O ZINC000308062014 572563379 /nfs/dbraw/zinc/56/33/79/572563379.db2.gz AGZAGBSJZBEQAN-CNNCQTGTSA-N 0 0 182.307 3.594 10 30 AHEERN CC/C(C)=C\CC/C=C\CCC=O ZINC000308064052 572561363 /nfs/dbraw/zinc/56/13/63/572561363.db2.gz VPOZCWZKGZAUPX-VDBJJUDGSA-N 0 0 180.291 3.658 10 30 AHEERN C/C=C/C=C/[C@H](CC=O)CCCC ZINC000308066866 572582809 /nfs/dbraw/zinc/58/28/09/572582809.db2.gz XTJKWIOHAHATJX-VUBNMBQGSA-N 0 0 180.291 3.514 10 30 AHEERN C/C=C/C=C/[C@@H](CC=O)CCCC ZINC000308066867 572584024 /nfs/dbraw/zinc/58/40/24/572584024.db2.gz XTJKWIOHAHATJX-WYDAOWBNSA-N 0 0 180.291 3.514 10 30 AHEERN CCCC/C=C\C[C@H](C)CCC=O ZINC000308095810 572699799 /nfs/dbraw/zinc/69/97/99/572699799.db2.gz WYXUSKCICXXMLE-DGMVEKRQSA-N 0 0 182.307 3.738 10 30 AHEERN CCCC/C=C/[C@@H](C)[C@H](C=O)CC ZINC000308098415 572717692 /nfs/dbraw/zinc/71/76/92/572717692.db2.gz ZFPCUHNWRPMVSE-DGTDAXKGSA-N 0 0 182.307 3.594 10 30 AHEERN CCCC/C=C/[C@@H](C)[C@@H](C=O)CC ZINC000308098882 572718736 /nfs/dbraw/zinc/71/87/36/572718736.db2.gz ZFPCUHNWRPMVSE-SVKHLYGUSA-N 0 0 182.307 3.594 10 30 AHEERN CCCC/C=C/[C@H](C)[C@@H](C=O)CC ZINC000308098884 572716455 /nfs/dbraw/zinc/71/64/55/572716455.db2.gz ZFPCUHNWRPMVSE-VDTGWRSZSA-N 0 0 182.307 3.594 10 30 AHEERN CCC[C@H](CC(C)C)C(=O)C=C(C)C ZINC000308101334 572729323 /nfs/dbraw/zinc/72/93/23/572729323.db2.gz FTWGJBVJECEHQN-GFCCVEGCSA-N 0 0 196.334 3.984 10 30 AHEERN CCC[C@@H](CC(C)C)C(=O)C=C(C)C ZINC000308101336 572730507 /nfs/dbraw/zinc/73/05/07/572730507.db2.gz FTWGJBVJECEHQN-LBPRGKRZSA-N 0 0 196.334 3.984 10 30 AHEERN C=C(C)CC(=O)[C@H](CCC)CC(C)C ZINC000308104510 572725842 /nfs/dbraw/zinc/72/58/42/572725842.db2.gz IFIBDRAMSXALCU-GFCCVEGCSA-N 0 0 196.334 3.984 10 30 AHEERN C=C(C)CC(=O)[C@@H](CCC)CC(C)C ZINC000308104513 572726778 /nfs/dbraw/zinc/72/67/78/572726778.db2.gz IFIBDRAMSXALCU-LBPRGKRZSA-N 0 0 196.334 3.984 10 30 AHEERN C=CCC(=O)[C@H](CCC)CC(C)C ZINC000308113371 573022336 /nfs/dbraw/zinc/02/23/36/573022336.db2.gz QSIXHRQEENMYCC-LLVKDONJSA-N 0 0 182.307 3.594 10 30 AHEERN C=CCC(=O)[C@@H](CCC)CC(C)C ZINC000308113374 572756442 /nfs/dbraw/zinc/75/64/42/572756442.db2.gz QSIXHRQEENMYCC-NSHDSACASA-N 0 0 182.307 3.594 10 30 AHEERN CC/C=C\[C@H](CC)C[C@H](C)CC=O ZINC000308116178 572761199 /nfs/dbraw/zinc/76/11/99/572761199.db2.gz VWRNOQSPKQFHML-PBWNMSGQSA-N 0 0 182.307 3.594 10 30 AHEERN C=CCCC(=O)[C@@H](CCC)CC(C)C ZINC000308116182 572758123 /nfs/dbraw/zinc/75/81/23/572758123.db2.gz VWSMHXVKIPURNA-LBPRGKRZSA-N 0 0 196.334 3.984 10 30 AHEERN CC[C@H](CC(C)C)C(=O)C1=CCCC1 ZINC000308118554 572775945 /nfs/dbraw/zinc/77/59/45/572775945.db2.gz ZEXYGCXOESQVHX-LLVKDONJSA-N 0 0 194.318 3.738 10 30 AHEERN CC[C@@H](CC(C)C)C(=O)C1=CCCC1 ZINC000308118555 572776386 /nfs/dbraw/zinc/77/63/86/572776386.db2.gz ZEXYGCXOESQVHX-NSHDSACASA-N 0 0 194.318 3.738 10 30 AHEERN C/C=C(/CC)C(=O)c1csc(C)c1 ZINC000308119303 346257149 /nfs/dbraw/zinc/25/71/49/346257149.db2.gz CERUXOMURDZWEB-WTKPLQERSA-N 0 0 194.299 3.596 10 30 AHEERN CCCCCC/C=C(\C)C[C@@H](C)O ZINC000308120000 572781269 /nfs/dbraw/zinc/78/12/69/572781269.db2.gz DZRMLFYIQQFQIH-LMMOQWNQSA-N 0 0 184.323 3.674 10 30 AHEERN CCCCCC/C=C(\C)C[C@H](C)O ZINC000308120001 572780335 /nfs/dbraw/zinc/78/03/35/572780335.db2.gz DZRMLFYIQQFQIH-ZKQHCESOSA-N 0 0 184.323 3.674 10 30 AHEERN CCCCCC/C=C\C[C@H](C)CO ZINC000308122126 572765716 /nfs/dbraw/zinc/76/57/16/572765716.db2.gz NDHSLTHFXMJXFC-LAUAKBEESA-N 0 0 184.323 3.532 10 30 AHEERN C=C(C)C[C@H]1CCC/C(=C\OC)C1 ZINC000308126851 572921335 /nfs/dbraw/zinc/92/13/35/572921335.db2.gz DMSUEXKZALGDJF-LWMMSDEHSA-N 0 0 180.291 3.673 10 30 AHEERN CC(CCC(C)C)=NOC(C)(C)C ZINC000308135685 572817890 /nfs/dbraw/zinc/81/78/90/572817890.db2.gz FCSXQBUZBCRKJG-UHFFFAOYSA-N 0 0 185.311 3.614 10 30 AHEERN C/C=C(/CC)C(=O)CC(CC)CC ZINC000308145108 572850748 /nfs/dbraw/zinc/85/07/48/572850748.db2.gz XKFLFXKJGBSRSD-XFFZJAGNSA-N 0 0 182.307 3.738 10 30 AHEERN C=C(CCCCCC)C[C@@H](C)CO ZINC000308149391 572843582 /nfs/dbraw/zinc/84/35/82/572843582.db2.gz GKLJBINELDRXTK-GFCCVEGCSA-N 0 0 184.323 3.532 10 30 AHEERN CCCCCCC[C@]1(O)CC[C@H]1C ZINC000308160777 572884379 /nfs/dbraw/zinc/88/43/79/572884379.db2.gz WTIQDOXHOZVJHT-NEPJUHHUSA-N 0 0 184.323 3.508 10 30 AHEERN CCCCCCC[C@@]1(O)CC[C@@H]1C ZINC000308160778 572884207 /nfs/dbraw/zinc/88/42/07/572884207.db2.gz WTIQDOXHOZVJHT-NWDGAFQWSA-N 0 0 184.323 3.508 10 30 AHEERN CCCCCCC[C@]1(O)CC[C@@H]1C ZINC000308160779 572884685 /nfs/dbraw/zinc/88/46/85/572884685.db2.gz WTIQDOXHOZVJHT-RYUDHWBXSA-N 0 0 184.323 3.508 10 30 AHEERN CCCCCCC[C@@]1(O)CC[C@H]1C ZINC000308161202 572873326 /nfs/dbraw/zinc/87/33/26/572873326.db2.gz WTIQDOXHOZVJHT-VXGBXAGGSA-N 0 0 184.323 3.508 10 30 AHEERN C=CCCC[C@]1(C#N)CC[C@@H](C)C1 ZINC000308167700 572885484 /nfs/dbraw/zinc/88/54/84/572885484.db2.gz BJYCOHVJBGPBQL-NEPJUHHUSA-N 0 0 177.291 3.673 10 30 AHEERN C=CCCC[C@@]1(C#N)CC[C@H](C)C1 ZINC000308167708 572887666 /nfs/dbraw/zinc/88/76/66/572887666.db2.gz BJYCOHVJBGPBQL-NWDGAFQWSA-N 0 0 177.291 3.673 10 30 AHEERN C=CCCC[C@@]1(C#N)CC[C@@H](C)C1 ZINC000308167722 572885971 /nfs/dbraw/zinc/88/59/71/572885971.db2.gz BJYCOHVJBGPBQL-VXGBXAGGSA-N 0 0 177.291 3.673 10 30 AHEERN C/C=C(\CCO)CCCCCCC ZINC000308175014 572897444 /nfs/dbraw/zinc/89/74/44/572897444.db2.gz ZKSPIYDVLLEWSS-QCDXTXTGSA-N 0 0 184.323 3.676 10 30 AHEERN C=C[C@@H](C)SCc1ccccc1C ZINC000308180947 572907114 /nfs/dbraw/zinc/90/71/14/572907114.db2.gz HHQYEADUGRJXRN-LLVKDONJSA-N 0 0 192.327 3.803 10 30 AHEERN C=C[C@H](C)SCc1ccccc1C ZINC000308180948 572906781 /nfs/dbraw/zinc/90/67/81/572906781.db2.gz HHQYEADUGRJXRN-NSHDSACASA-N 0 0 192.327 3.803 10 30 AHEERN CC(C)SCCC1(C#N)CCCC1 ZINC000308181889 572911569 /nfs/dbraw/zinc/91/15/69/572911569.db2.gz HOFQXRLQYDZUIV-UHFFFAOYSA-N 0 0 197.347 3.602 10 30 AHEERN C/C=C\CC1(C#N)CCC(C)CC1 ZINC000308183565 346267195 /nfs/dbraw/zinc/26/71/95/346267195.db2.gz IKYPKGCPNLGNDI-ARJAWSKDSA-N 0 0 177.291 3.673 10 30 AHEERN N#CC1(C/C=C\Cl)CCCCCC1 ZINC000308185277 346267107 /nfs/dbraw/zinc/26/71/07/346267107.db2.gz JGIDDLWJPTXUOK-UITAMQMPSA-N 0 0 197.709 3.993 10 30 AHEERN CCCC[C@@H](CC)CC1(C#N)CC1 ZINC000308193147 572924569 /nfs/dbraw/zinc/92/45/69/572924569.db2.gz PACJQTDKVBTWMZ-LLVKDONJSA-N 0 0 179.307 3.897 10 30 AHEERN CCCC[C@H](CC)CC1(C#N)CC1 ZINC000308193148 572923141 /nfs/dbraw/zinc/92/31/41/572923141.db2.gz PACJQTDKVBTWMZ-NSHDSACASA-N 0 0 179.307 3.897 10 30 AHEERN CCCCCC/C=C\C[C@@H](C)CO ZINC000308196958 572940240 /nfs/dbraw/zinc/94/02/40/572940240.db2.gz NDHSLTHFXMJXFC-JLVNDZCYSA-N 0 0 184.323 3.532 10 30 AHEERN CC[C@@](C)(C#N)CCSC(C)(C)C ZINC000308201286 572928535 /nfs/dbraw/zinc/92/85/35/572928535.db2.gz VIDJENPFEXCHPS-LLVKDONJSA-N 0 0 199.363 3.848 10 30 AHEERN CC[C@](C)(C#N)CCSC(C)(C)C ZINC000308201287 572928461 /nfs/dbraw/zinc/92/84/61/572928461.db2.gz VIDJENPFEXCHPS-NSHDSACASA-N 0 0 199.363 3.848 10 30 AHEERN C=C[C@@](C)(CCCC)[C@H](O)CCC ZINC000308210658 572942130 /nfs/dbraw/zinc/94/21/30/572942130.db2.gz WFFUUXYUSKJWRL-NEPJUHHUSA-N 0 0 184.323 3.530 10 30 AHEERN C=C[C@@](C)(CCCC)[C@@H](O)CCC ZINC000308210659 572942507 /nfs/dbraw/zinc/94/25/07/572942507.db2.gz WFFUUXYUSKJWRL-RYUDHWBXSA-N 0 0 184.323 3.530 10 30 AHEERN C=C[C@](C)(CCCC)[C@H](O)CCC ZINC000308210660 572941907 /nfs/dbraw/zinc/94/19/07/572941907.db2.gz WFFUUXYUSKJWRL-VXGBXAGGSA-N 0 0 184.323 3.530 10 30 AHEERN CCCCCCCC(=O)C(C)(C)F ZINC000308232855 573038456 /nfs/dbraw/zinc/03/84/56/573038456.db2.gz UNVLMZWYZQDHQK-UHFFFAOYSA-N 0 0 188.286 3.664 10 30 AHEERN CCCCCCC=NOC(C)(C)C ZINC000308235930 573033866 /nfs/dbraw/zinc/03/38/66/573033866.db2.gz QXMUAMYHWMWXRZ-UHFFFAOYSA-N 0 0 185.311 3.758 10 30 AHEERN C=C(C)CC(=O)C(C)(C)C(C)(C)C ZINC000308245848 573068327 /nfs/dbraw/zinc/06/83/27/573068327.db2.gz VORVVMGFNKAMQO-UHFFFAOYSA-N 0 0 182.307 3.594 10 30 AHEERN C=CCC[C@H](C)SCc1ccco1 ZINC000308251097 573078008 /nfs/dbraw/zinc/07/80/08/573078008.db2.gz HJQYHXSHIFTAQY-JTQLQIEISA-N 0 0 196.315 3.868 10 30 AHEERN C=CCC[C@@H](C)SCc1ccco1 ZINC000308251098 573076802 /nfs/dbraw/zinc/07/68/02/573076802.db2.gz HJQYHXSHIFTAQY-SNVBAGLBSA-N 0 0 196.315 3.868 10 30 AHEERN C#CCCS[C@H](C)c1ccccc1 ZINC000308251359 573076821 /nfs/dbraw/zinc/07/68/21/573076821.db2.gz BEJIEAGWWFABLY-LLVKDONJSA-N 0 0 190.311 3.504 10 30 AHEERN CCC(CC)=NOCCC(C)(C)C ZINC000308253261 573085877 /nfs/dbraw/zinc/08/58/77/573085877.db2.gz CKEBXCFCUAOZQD-UHFFFAOYSA-N 0 0 185.311 3.615 10 30 AHEERN C=CC/C=C/[C@H](C)Nc1ccccc1 ZINC000308260048 573088098 /nfs/dbraw/zinc/08/80/98/573088098.db2.gz IIBUOASMACSFGM-LZGFCCKTSA-N 0 0 187.286 3.619 10 30 AHEERN C=CC/C=C/[C@@H](C)Nc1ccccc1 ZINC000308260050 573091596 /nfs/dbraw/zinc/09/15/96/573091596.db2.gz IIBUOASMACSFGM-UVMWJGKXSA-N 0 0 187.286 3.619 10 30 AHEERN C=CCC[C@H](C)Sc1ccncc1 ZINC000308262668 573109347 /nfs/dbraw/zinc/10/93/47/573109347.db2.gz OEBVMFUMGPQWIP-JTQLQIEISA-N 0 0 193.315 3.528 10 30 AHEERN C=CCC[C@@H](C)Sc1ccncc1 ZINC000308262669 573110217 /nfs/dbraw/zinc/11/02/17/573110217.db2.gz OEBVMFUMGPQWIP-SNVBAGLBSA-N 0 0 193.315 3.528 10 30 AHEERN C=CC/C=C/[C@H](C)c1ccccc1N ZINC000308262872 573109803 /nfs/dbraw/zinc/10/98/03/573109803.db2.gz OWBMRCNSCCKLNI-BWNDKRECSA-N 0 0 187.286 3.505 10 30 AHEERN C=CC[C@H](/C=C/C)c1ccccc1N ZINC000308280395 573135749 /nfs/dbraw/zinc/13/57/49/573135749.db2.gz XRFZFFXKDCVOJR-SOZJPDODSA-N 0 0 187.286 3.505 10 30 AHEERN C=CC[C@@H](/C=C/C)c1ccccc1N ZINC000308280396 573136690 /nfs/dbraw/zinc/13/66/90/573136690.db2.gz XRFZFFXKDCVOJR-VUQUXZKVSA-N 0 0 187.286 3.505 10 30 AHEERN C[C@H](CC=O)CC[C@@H]1CCCC[C@H]1C ZINC000308331491 573262926 /nfs/dbraw/zinc/26/29/26/573262926.db2.gz CDCLJWSUURSKCF-XQQFMLRXSA-N 0 0 196.334 3.818 10 30 AHEERN C[C@H](CC=O)CC[C@H]1CCCC[C@H]1C ZINC000308331493 573262438 /nfs/dbraw/zinc/26/24/38/573262438.db2.gz CDCLJWSUURSKCF-YNEHKIRRSA-N 0 0 196.334 3.818 10 30 AHEERN CCCCC=NOCCC(C)(C)C ZINC000308332428 573262540 /nfs/dbraw/zinc/26/25/40/573262540.db2.gz JLACPHKVPQEXOV-UHFFFAOYSA-N 0 0 185.311 3.615 10 30 AHEERN CCCCC/C=N/c1ccc(O)cc1 ZINC000308332698 573260851 /nfs/dbraw/zinc/26/08/51/573260851.db2.gz GQZKDGJDONMIQL-JLHYYAGUSA-N 0 0 191.274 3.675 10 30 AHEERN C=CCC/C=C/C=C(/C)C[C@H](C)C=O ZINC000308335643 573264743 /nfs/dbraw/zinc/26/47/43/573264743.db2.gz OJEUROWIEWPXRB-GMENATHZSA-N 0 0 192.302 3.680 10 30 AHEERN C=CCC/C=C/C=C(/C)C[C@@H](C)C=O ZINC000308335644 573265469 /nfs/dbraw/zinc/26/54/69/573265469.db2.gz OJEUROWIEWPXRB-XOQQGHAGSA-N 0 0 192.302 3.680 10 30 AHEERN C/C(=C\CC[C@H](C)CC=O)CC(C)C ZINC000308335919 573264878 /nfs/dbraw/zinc/26/48/78/573264878.db2.gz CGXLEGDKEFWJIK-ALFJJAPYSA-N 0 0 196.334 3.984 10 30 AHEERN C/C(=C\CC[C@@H](C)CC=O)CC(C)C ZINC000308335921 573267668 /nfs/dbraw/zinc/26/76/68/573267668.db2.gz CGXLEGDKEFWJIK-GKWYLQRDSA-N 0 0 196.334 3.984 10 30 AHEERN CCCCC[C@H]1CC[C@H](CC=O)CC1 ZINC000308336108 573267806 /nfs/dbraw/zinc/26/78/06/573267806.db2.gz PCAYLZGYISOBSR-JOCQHMNTSA-N 0 0 196.334 3.962 10 30 AHEERN C[C@H](C=O)CC[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000308336127 573266745 /nfs/dbraw/zinc/26/67/45/573266745.db2.gz PHOXTJCEPVKDHV-CYDGBPFRSA-N 0 0 196.334 3.674 10 30 AHEERN C[C@H](C=O)CC[C@@H]1CC[C@H](C)C[C@H]1C ZINC000308336128 573266318 /nfs/dbraw/zinc/26/63/18/573266318.db2.gz PHOXTJCEPVKDHV-RVMXOQNASA-N 0 0 196.334 3.674 10 30 AHEERN C[C@H](C=O)CC[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000308336129 573265495 /nfs/dbraw/zinc/26/54/95/573265495.db2.gz PHOXTJCEPVKDHV-XQHKEYJVSA-N 0 0 196.334 3.674 10 30 AHEERN CC(C)C[C@H](C)C[C@H](C)C[C@H](C)C=O ZINC000308337769 573269441 /nfs/dbraw/zinc/26/94/41/573269441.db2.gz GIISEZPBYIWLEW-AVGNSLFASA-N 0 0 198.350 3.920 10 30 AHEERN CC1=C(C)CC[C@H](C=O)CCCCC1 ZINC000308338576 573272900 /nfs/dbraw/zinc/27/29/00/573272900.db2.gz VMDXVHPOENZNQU-CYBMUJFWSA-N 0 0 194.318 3.882 10 30 AHEERN CC1=C(C)CC[C@@H](C=O)CCCCC1 ZINC000308338577 573272199 /nfs/dbraw/zinc/27/21/99/573272199.db2.gz VMDXVHPOENZNQU-ZDUSSCGKSA-N 0 0 194.318 3.882 10 30 AHEERN CC[C@@](C)(C#N)CC1(CC)CCC1 ZINC000308339965 573280683 /nfs/dbraw/zinc/28/06/83/573280683.db2.gz QLFBBIJIZRRTGS-LLVKDONJSA-N 0 0 179.307 3.897 10 30 AHEERN CC[C@](C)(C#N)CC1(CC)CCC1 ZINC000308339968 573280759 /nfs/dbraw/zinc/28/07/59/573280759.db2.gz QLFBBIJIZRRTGS-NSHDSACASA-N 0 0 179.307 3.897 10 30 AHEERN C=C(C)[C@@H]1CCCC[C@@H]1[C@H](C)CC=O ZINC000308349788 573334050 /nfs/dbraw/zinc/33/40/50/573334050.db2.gz AUYVJYDLYBWCPY-FRRDWIJNSA-N 0 0 194.318 3.594 10 30 AHEERN O=C[C@H]1CCC=CCCC=CCCC1 ZINC000308353210 573340955 /nfs/dbraw/zinc/34/09/55/573340955.db2.gz OAPGEXRXFPLLLJ-CYBMUJFWSA-N 0 0 192.302 3.658 10 30 AHEERN O=C[C@@H]1CCC=CCCC=CCCC1 ZINC000308353212 573341518 /nfs/dbraw/zinc/34/15/18/573341518.db2.gz OAPGEXRXFPLLLJ-ZDUSSCGKSA-N 0 0 192.302 3.658 10 30 AHEERN CC(C)[C@@H]1CCC[C@@H]([C@H](C)CC=O)C1 ZINC000308353258 573343864 /nfs/dbraw/zinc/34/38/64/573343864.db2.gz ONLLYVFPLBWUGS-JHJVBQTASA-N 0 0 196.334 3.674 10 30 AHEERN CC(C)[C@@H]1CCC[C@H]([C@H](C)CC=O)C1 ZINC000308353259 573341786 /nfs/dbraw/zinc/34/17/86/573341786.db2.gz ONLLYVFPLBWUGS-UPJWGTAASA-N 0 0 196.334 3.674 10 30 AHEERN CCCCCCC=C(N=[N+]=[N-])C(C)=O ZINC000308359780 573347814 /nfs/dbraw/zinc/34/78/14/573347814.db2.gz FQBFJRBWWIKORD-NTMALXAHSA-N 0 0 195.266 3.740 10 30 AHEERN C=CC(C)(C)[C@H](C=O)/C=C/CCCC ZINC000308363464 573358617 /nfs/dbraw/zinc/35/86/17/573358617.db2.gz DRMFVPNRZRDSEI-VMPCVLLUSA-N 0 0 194.318 3.760 10 30 AHEERN C=C(C)C[C@H](C)C[C@H](C)C[C@H](C)C=O ZINC000308366255 573371935 /nfs/dbraw/zinc/37/19/35/573371935.db2.gz KAIAMMUHTJOGNP-AVGNSLFASA-N 0 0 196.334 3.840 10 30 AHEERN C=C(C)C[C@H](C)C[C@@H](C)C[C@H](C)C=O ZINC000308366256 573368753 /nfs/dbraw/zinc/36/87/53/573368753.db2.gz KAIAMMUHTJOGNP-XQQFMLRXSA-N 0 0 196.334 3.840 10 30 AHEERN CC[C@H](C)/C=C/C=C(/C)C[C@H](C)C=O ZINC000308367194 573359142 /nfs/dbraw/zinc/35/91/42/573359142.db2.gz LDZJXCOAVDNXGB-OWHSWBGOSA-N 0 0 194.318 3.760 10 30 AHEERN CC[C@H](C)/C=C/C=C(/C)C[C@@H](C)C=O ZINC000308367197 573357790 /nfs/dbraw/zinc/35/77/90/573357790.db2.gz LDZJXCOAVDNXGB-XASRZOTJSA-N 0 0 194.318 3.760 10 30 AHEERN CCCCCC(C)=NOC(C)(C)C ZINC000308367661 573362691 /nfs/dbraw/zinc/36/26/91/573362691.db2.gz OTALKJFGRQBOKG-UHFFFAOYSA-N 0 0 185.311 3.758 10 30 AHEERN C=C[C@](C)(C=O)C/C(C)=C\CC(=C)C ZINC000308367861 573364355 /nfs/dbraw/zinc/36/43/55/573364355.db2.gz MABLWTMNWJAMOT-FSBNRTBOSA-N 0 0 192.302 3.680 10 30 AHEERN C=C[C@@](C)(C=O)C/C(C)=C\CC(=C)C ZINC000308367864 573366455 /nfs/dbraw/zinc/36/64/55/573366455.db2.gz MABLWTMNWJAMOT-LLBKUYECSA-N 0 0 192.302 3.680 10 30 AHEERN C=C/C=C\C[C@@H]1CCCC[C@H]1CC=O ZINC000308368031 573366273 /nfs/dbraw/zinc/36/62/73/573366273.db2.gz MPWUSVZVCVCZGI-JXLSXLBDSA-N 0 0 192.302 3.514 10 30 AHEERN C=C/C=C\C[C@H]1CCCC[C@H]1CC=O ZINC000308368033 573365259 /nfs/dbraw/zinc/36/52/59/573365259.db2.gz MPWUSVZVCVCZGI-LDIIPZEWSA-N 0 0 192.302 3.514 10 30 AHEERN C=CCCOc1ccc(Cl)cc1C ZINC000308371543 573382687 /nfs/dbraw/zinc/38/26/87/573382687.db2.gz LCAKISXREYOMAH-UHFFFAOYSA-N 0 0 196.677 3.603 10 30 AHEERN CC/C=C/[C@@H](CCCCC)[C@H](C)C=O ZINC000308372776 573386118 /nfs/dbraw/zinc/38/61/18/573386118.db2.gz UPUYUQSJKRJJHO-PYISVCGKSA-N 0 0 196.334 3.984 10 30 AHEERN CC/C=C/[C@H](CCCCC)[C@H](C)C=O ZINC000308372778 573386331 /nfs/dbraw/zinc/38/63/31/573386331.db2.gz UPUYUQSJKRJJHO-SKFMMRCFSA-N 0 0 196.334 3.984 10 30 AHEERN CCC(/C=C(\C)C[C@H](C=O)CC)CC ZINC000308373478 573384648 /nfs/dbraw/zinc/38/46/48/573384648.db2.gz VNNXBCIKAQCRFK-RUNBWSAHSA-N 0 0 196.334 3.984 10 30 AHEERN CCC(/C=C(\C)C[C@@H](C=O)CC)CC ZINC000308373480 573383677 /nfs/dbraw/zinc/38/36/77/573383677.db2.gz VNNXBCIKAQCRFK-YKWSONSWSA-N 0 0 196.334 3.984 10 30 AHEERN CC(C)[C@H]1CCC[C@@H](C[C@H](C)C=O)C1 ZINC000308374777 573376071 /nfs/dbraw/zinc/37/60/71/573376071.db2.gz XDKXPJJLADEKEK-AVGNSLFASA-N 0 0 196.334 3.674 10 30 AHEERN CC(C)[C@@H]1CCC[C@@H](C[C@H](C)C=O)C1 ZINC000308374778 573374364 /nfs/dbraw/zinc/37/43/64/573374364.db2.gz XDKXPJJLADEKEK-RWMBFGLXSA-N 0 0 196.334 3.674 10 30 AHEERN CC(C)[C@H]1CCC[C@H](C[C@H](C)C=O)C1 ZINC000308374779 573376286 /nfs/dbraw/zinc/37/62/86/573376286.db2.gz XDKXPJJLADEKEK-XQQFMLRXSA-N 0 0 196.334 3.674 10 30 AHEERN CC(C)[C@@H]1CCC[C@H](C[C@H](C)C=O)C1 ZINC000308374780 573373818 /nfs/dbraw/zinc/37/38/18/573373818.db2.gz XDKXPJJLADEKEK-YNEHKIRRSA-N 0 0 196.334 3.674 10 30 AHEERN ON=C1CCCC[C@@H]1C1CCCCC1 ZINC000308378578 573389451 /nfs/dbraw/zinc/38/94/51/573389451.db2.gz HFAAGBQVHWZNSY-LLVKDONJSA-N 0 0 195.306 3.587 10 30 AHEERN ON=C1CCCC[C@H]1C1CCCCC1 ZINC000308378580 573390088 /nfs/dbraw/zinc/39/00/88/573390088.db2.gz HFAAGBQVHWZNSY-NSHDSACASA-N 0 0 195.306 3.587 10 30 AHEERN CCCCC(CC)=NO[C@@H](C)CC ZINC000308396492 573511830 /nfs/dbraw/zinc/51/18/30/573511830.db2.gz DJYJHIXBLXBNOA-JTQLQIEISA-N 0 0 185.311 3.758 10 30 AHEERN CCCCC(CC)=NO[C@H](C)CC ZINC000308396493 573514023 /nfs/dbraw/zinc/51/40/23/573514023.db2.gz DJYJHIXBLXBNOA-SNVBAGLBSA-N 0 0 185.311 3.758 10 30 AHEERN CCCC/C=C/[C@H](C)[C@@](C)(C=O)CC ZINC000308404184 573588512 /nfs/dbraw/zinc/58/85/12/573588512.db2.gz AHZVGHAHGGSXGB-CCJARXIYSA-N 0 0 196.334 3.984 10 30 AHEERN CCCC/C=C/[C@@H](C)[C@](C)(C=O)CC ZINC000308404185 573588107 /nfs/dbraw/zinc/58/81/07/573588107.db2.gz AHZVGHAHGGSXGB-GBYBRZQVSA-N 0 0 196.334 3.984 10 30 AHEERN CCCC/C=C/[C@H](C)[C@](C)(C=O)CC ZINC000308404186 573587753 /nfs/dbraw/zinc/58/77/53/573587753.db2.gz AHZVGHAHGGSXGB-MZWKFTRPSA-N 0 0 196.334 3.984 10 30 AHEERN CCCC/C=C/[C@@H](C)[C@@](C)(C=O)CC ZINC000308404187 573589175 /nfs/dbraw/zinc/58/91/75/573589175.db2.gz AHZVGHAHGGSXGB-WGVUZWOWSA-N 0 0 196.334 3.984 10 30 AHEERN C/C=C(/CC)C(=O)C1=CCCCCC1 ZINC000308409022 573630107 /nfs/dbraw/zinc/63/01/07/573630107.db2.gz BAVXCXAPIOETMW-JYOAFUTRSA-N 0 0 192.302 3.802 10 30 AHEERN CCC(CC)C[C@H]1CCCCC1=NO ZINC000308430797 573738963 /nfs/dbraw/zinc/73/89/63/573738963.db2.gz DQIOKPJQPKTZPO-LLVKDONJSA-N 0 0 197.322 3.833 10 30 AHEERN CCC(CC)C[C@@H]1CCCCC1=NO ZINC000308430799 573740028 /nfs/dbraw/zinc/74/00/28/573740028.db2.gz DQIOKPJQPKTZPO-NSHDSACASA-N 0 0 197.322 3.833 10 30 AHEERN CC[C@@H](C)ON=C(C)CCC(C)C ZINC000308431578 573785208 /nfs/dbraw/zinc/78/52/08/573785208.db2.gz UCMMLECRGYKGCL-LLVKDONJSA-N 0 0 185.311 3.614 10 30 AHEERN CC[C@H](C)ON=C(C)CCC(C)C ZINC000308431579 573786666 /nfs/dbraw/zinc/78/66/66/573786666.db2.gz UCMMLECRGYKGCL-NSHDSACASA-N 0 0 185.311 3.614 10 30 AHEERN CC/C=C\C(=O)C1CCC(CC)CC1 ZINC000308432110 573784024 /nfs/dbraw/zinc/78/40/24/573784024.db2.gz GEAIEPHWHQRBEH-WAYWQWQTSA-N 0 0 194.318 3.738 10 30 AHEERN C=C[C@H](C)[C@H](C)[C@H](C)[C@@H](O)CCCC ZINC000308439377 573804039 /nfs/dbraw/zinc/80/40/39/573804039.db2.gz AZSVGQCFGQMAAV-CYDGBPFRSA-N 0 0 198.350 3.632 10 30 AHEERN CCCCCC/C=C/C=C\[C@H](O)CC ZINC000308439548 573803809 /nfs/dbraw/zinc/80/38/09/573803809.db2.gz BXMXJDRBOFWJMK-UFUIQCCDSA-N 0 0 196.334 3.840 10 30 AHEERN CCCCCC/C=C/C=C\[C@@H](O)CC ZINC000308439549 573805339 /nfs/dbraw/zinc/80/53/39/573805339.db2.gz BXMXJDRBOFWJMK-USLNSWDDSA-N 0 0 196.334 3.840 10 30 AHEERN C/C=C(/CC)C(=O)C1CCCCCC1 ZINC000308444078 573813160 /nfs/dbraw/zinc/81/31/60/573813160.db2.gz MGGNSRSLMRDUOZ-JYOAFUTRSA-N 0 0 194.318 3.882 10 30 AHEERN C/C=C(\CC)C(=O)c1ccccc1C ZINC000308448164 346303844 /nfs/dbraw/zinc/30/38/44/346303844.db2.gz QJKYEHQUJROCBO-NYYWCZLTSA-N 0 0 188.270 3.534 10 30 AHEERN C=C/C=C\C[C@@H](O)CCCCCCC ZINC000308449513 573834270 /nfs/dbraw/zinc/83/42/70/573834270.db2.gz PZTSRQVCRJAVRD-OYVUYXNMSA-N 0 0 196.334 3.840 10 30 AHEERN C=C[C@](C)(CC)[C@H](O)CCCCCC ZINC000308451271 573835572 /nfs/dbraw/zinc/83/55/72/573835572.db2.gz ACXQKAAEIBCMAD-CHWSQXEVSA-N 0 0 198.350 3.920 10 30 AHEERN CCCCCCC[C@@H](O)/C=C\C(C)C ZINC000308452168 573849498 /nfs/dbraw/zinc/84/94/98/573849498.db2.gz SRSVDLJTLSISFO-BSYHEUMXSA-N 0 0 198.350 3.920 10 30 AHEERN CCCCCCC[C@H](O)/C=C\C(C)C ZINC000308452170 573847497 /nfs/dbraw/zinc/84/74/97/573847497.db2.gz SRSVDLJTLSISFO-OEYXZAGESA-N 0 0 198.350 3.920 10 30 AHEERN C=C1CCCCCC(CO)=C(C)CC1 ZINC000308454374 573850654 /nfs/dbraw/zinc/85/06/54/573850654.db2.gz VBYUSVMOKNADKJ-UHFFFAOYSA-N 0 0 194.318 3.596 10 30 AHEERN C=C[C@@H](CC)[C@H](O)[C@@H](CC)CCCC ZINC000308456354 573856809 /nfs/dbraw/zinc/85/68/09/573856809.db2.gz XINWTHCXMOMPBN-AVGNSLFASA-N 0 0 198.350 3.776 10 30 AHEERN C=C[C@@H](CC)[C@H](O)[C@H](CC)CCCC ZINC000308456358 573860228 /nfs/dbraw/zinc/86/02/28/573860228.db2.gz XINWTHCXMOMPBN-XQQFMLRXSA-N 0 0 198.350 3.776 10 30 AHEERN CC/C=C\C(=O)CC1CCC(C)CC1 ZINC000308458654 573869857 /nfs/dbraw/zinc/86/98/57/573869857.db2.gz CMKVYDOSSMSMTD-PLNGDYQASA-N 0 0 194.318 3.738 10 30 AHEERN CC/C=C/C(=O)CC1CCC(C)CC1 ZINC000308458655 573869073 /nfs/dbraw/zinc/86/90/73/573869073.db2.gz CMKVYDOSSMSMTD-SNAWJCMRSA-N 0 0 194.318 3.738 10 30 AHEERN CCCCCCC[C@H]1CC[C@H](O)CC1 ZINC000308459461 573868530 /nfs/dbraw/zinc/86/85/30/573868530.db2.gz ZIHAGQWGMHTHAV-JOCQHMNTSA-N 0 0 198.350 3.898 10 30 AHEERN C=C[C@H](C)[C@H](C)[C@@H](C)[C@@H](O)CCCC ZINC000308460147 573874430 /nfs/dbraw/zinc/87/44/30/573874430.db2.gz AZSVGQCFGQMAAV-RVMXOQNASA-N 0 0 198.350 3.632 10 30 AHEERN C=C[C@H](C)[C@H](C)[C@@H](C)[C@H](O)CCCC ZINC000308460157 573874753 /nfs/dbraw/zinc/87/47/53/573874753.db2.gz AZSVGQCFGQMAAV-WUHRBBMRSA-N 0 0 198.350 3.632 10 30 AHEERN C=C[C@H](C)[C@H](C)[C@H](C)[C@H](O)CCCC ZINC000308460165 573876259 /nfs/dbraw/zinc/87/62/59/573876259.db2.gz AZSVGQCFGQMAAV-ZDEQEGDKSA-N 0 0 198.350 3.632 10 30 AHEERN C[C@@H](C=O)CCC1CCC(C)(C)CC1 ZINC000308461057 573901189 /nfs/dbraw/zinc/90/11/89/573901189.db2.gz DJWQAVGLBCOBPI-LLVKDONJSA-N 0 0 196.334 3.818 10 30 AHEERN C[C@H](C=O)CCC1CCC(C)(C)CC1 ZINC000308461058 573901611 /nfs/dbraw/zinc/90/16/11/573901611.db2.gz DJWQAVGLBCOBPI-NSHDSACASA-N 0 0 196.334 3.818 10 30 AHEERN CC(C)C(C(=O)C1=CCCC1)C(C)C ZINC000308461235 573901226 /nfs/dbraw/zinc/90/12/26/573901226.db2.gz GIDRQBFOBXCGGE-UHFFFAOYSA-N 0 0 194.318 3.594 10 30 AHEERN C/C=C\C(=O)c1ccccc1C(C)C ZINC000308466040 346305252 /nfs/dbraw/zinc/30/52/52/346305252.db2.gz XFCDCSGSOFXPKA-DAXSKMNVSA-N 0 0 188.270 3.569 10 30 AHEERN CCCCCCC[C@@]1(O)CCC1(C)C ZINC000308467952 573939528 /nfs/dbraw/zinc/93/95/28/573939528.db2.gz ALKBTUYKRYOCTQ-CYBMUJFWSA-N 0 0 198.350 3.898 10 30 AHEERN CCCCCCC[C@]1(O)CCC1(C)C ZINC000308467953 573938865 /nfs/dbraw/zinc/93/88/65/573938865.db2.gz ALKBTUYKRYOCTQ-ZDUSSCGKSA-N 0 0 198.350 3.898 10 30 AHEERN C=C(C)CCC(=O)C(C(C)C)C(C)C ZINC000308470149 573943045 /nfs/dbraw/zinc/94/30/45/573943045.db2.gz IYZOZWOPMJYAEZ-UHFFFAOYSA-N 0 0 196.334 3.840 10 30 AHEERN C=C[C@H](/C=C\C)[C@H](O)CCCCCC ZINC000308471703 573956725 /nfs/dbraw/zinc/95/67/25/573956725.db2.gz QCXVSTKAHWSQOC-DCKDXSSCSA-N 0 0 196.334 3.696 10 30 AHEERN C=C[C@H](/C=C\C)[C@@H](O)CCCCCC ZINC000308471704 573957967 /nfs/dbraw/zinc/95/79/67/573957967.db2.gz QCXVSTKAHWSQOC-DSQVMXRESA-N 0 0 196.334 3.696 10 30 AHEERN CCC(=CC(=O)[C@@H](C)CC(C)C)CC ZINC000308477668 573028403 /nfs/dbraw/zinc/02/84/03/573028403.db2.gz LRAFGZWMGPEWKY-NSHDSACASA-N 0 0 196.334 3.984 10 30 AHEERN CCC(CC)CC1=CC(=O)C[C@@H](C)C1 ZINC000308483191 573021296 /nfs/dbraw/zinc/02/12/96/573021296.db2.gz MJAHZSNNPRESNX-JTQLQIEISA-N 0 0 194.318 3.738 10 30 AHEERN CCC(CC)CC1=CC(=O)C[C@H](C)C1 ZINC000308483192 573022366 /nfs/dbraw/zinc/02/23/66/573022366.db2.gz MJAHZSNNPRESNX-SNVBAGLBSA-N 0 0 194.318 3.738 10 30 AHEERN C=C[C@@H](CCO)CCCCCCCC ZINC000308484340 573020889 /nfs/dbraw/zinc/02/08/89/573020889.db2.gz KRYOLAVOIIQCOA-CYBMUJFWSA-N 0 0 198.350 3.922 10 30 AHEERN C=C[C@H](CCO)CCCCCCCC ZINC000308484344 573021837 /nfs/dbraw/zinc/02/18/37/573021837.db2.gz KRYOLAVOIIQCOA-ZDUSSCGKSA-N 0 0 198.350 3.922 10 30 AHEERN CC(C)C[C@@H](C)C(=O)C1=CCCCC1 ZINC000308485130 573021115 /nfs/dbraw/zinc/02/11/15/573021115.db2.gz OMTCBHSGLXMUFX-LLVKDONJSA-N 0 0 194.318 3.738 10 30 AHEERN CC(C)C[C@H](C)C(=O)C1=CCCCC1 ZINC000308485132 573020532 /nfs/dbraw/zinc/02/05/32/573020532.db2.gz OMTCBHSGLXMUFX-NSHDSACASA-N 0 0 194.318 3.738 10 30 AHEERN C=CCC[C@@](C)(O)CC1(C)CCCC1 ZINC000308529410 573254085 /nfs/dbraw/zinc/25/40/85/573254085.db2.gz KHFHEVOKCMZZNX-CYBMUJFWSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCC[C@](C)(O)CC1(C)CCCC1 ZINC000308529411 573255658 /nfs/dbraw/zinc/25/56/58/573255658.db2.gz KHFHEVOKCMZZNX-ZDUSSCGKSA-N 0 0 196.334 3.674 10 30 AHEERN C=CC[C@H](O)C[C@@H]1C[C@@H]1CCCCC ZINC000308530969 573262273 /nfs/dbraw/zinc/26/22/73/573262273.db2.gz CNSFZCYEFOGISR-AVGNSLFASA-N 0 0 196.334 3.530 10 30 AHEERN C=CC[C@H](O)C[C@H]1C[C@H]1CCCCC ZINC000308530971 573264148 /nfs/dbraw/zinc/26/41/48/573264148.db2.gz CNSFZCYEFOGISR-UPJWGTAASA-N 0 0 196.334 3.530 10 30 AHEERN C=CC[C@H](O)C[C@H]1C[C@@H]1CCCCC ZINC000308530973 573260240 /nfs/dbraw/zinc/26/02/40/573260240.db2.gz CNSFZCYEFOGISR-XQQFMLRXSA-N 0 0 196.334 3.530 10 30 AHEERN CCCCCC/C=C1\C[C@H](O)C[C@H]1C ZINC000308531658 573263951 /nfs/dbraw/zinc/26/39/51/573263951.db2.gz CTFUHFARHZSJSV-HIZVYSOWSA-N 0 0 196.334 3.674 10 30 AHEERN CCCCCC/C=C1/C[C@H](O)C[C@H]1C ZINC000308531659 573260092 /nfs/dbraw/zinc/26/00/92/573260092.db2.gz CTFUHFARHZSJSV-KCWVNHISSA-N 0 0 196.334 3.674 10 30 AHEERN CCCCCC/C=C1\C[C@H](O)C[C@@H]1C ZINC000308531660 573262520 /nfs/dbraw/zinc/26/25/20/573262520.db2.gz CTFUHFARHZSJSV-NUBPSFNZSA-N 0 0 196.334 3.674 10 30 AHEERN CCCCCC/C=C1/C[C@H](O)C[C@@H]1C ZINC000308531661 573262591 /nfs/dbraw/zinc/26/25/91/573262591.db2.gz CTFUHFARHZSJSV-PPHUXIPZSA-N 0 0 196.334 3.674 10 30 AHEERN CC[C@H]1CC[C@](C#N)(CCCCF)C1 ZINC000308536089 573270896 /nfs/dbraw/zinc/27/08/96/573270896.db2.gz MFCMVGPZWGAHIH-NWDGAFQWSA-N 0 0 197.297 3.846 10 30 AHEERN CC[C@H]1CC[C@@](C#N)(CCCCF)C1 ZINC000308536093 573273682 /nfs/dbraw/zinc/27/36/82/573273682.db2.gz MFCMVGPZWGAHIH-RYUDHWBXSA-N 0 0 197.297 3.846 10 30 AHEERN CC[C@@H]1CC[C@](C#N)(CCCCF)C1 ZINC000308536097 573271495 /nfs/dbraw/zinc/27/14/95/573271495.db2.gz MFCMVGPZWGAHIH-VXGBXAGGSA-N 0 0 197.297 3.846 10 30 AHEERN CC(C)CCCC1=CC(=O)C[C@H](C)C1 ZINC000308549575 573328084 /nfs/dbraw/zinc/32/80/84/573328084.db2.gz WYHKTPAXFYSBJY-LLVKDONJSA-N 0 0 194.318 3.738 10 30 AHEERN CC(C)CCCC1=CC(=O)C[C@@H](C)C1 ZINC000308549576 573330753 /nfs/dbraw/zinc/33/07/53/573330753.db2.gz WYHKTPAXFYSBJY-NSHDSACASA-N 0 0 194.318 3.738 10 30 AHEERN N#CC1([C@@H]2C=CCCCCC2)CCC1 ZINC000308557134 573345560 /nfs/dbraw/zinc/34/55/60/573345560.db2.gz TUFVKEYFWIPSBN-GFCCVEGCSA-N 0 0 189.302 3.817 10 30 AHEERN N#CC1([C@H]2C=CCCCCC2)CCC1 ZINC000308557136 573344886 /nfs/dbraw/zinc/34/48/86/573344886.db2.gz TUFVKEYFWIPSBN-LBPRGKRZSA-N 0 0 189.302 3.817 10 30 AHEERN CC1CCC(C#N)(CCCCF)CC1 ZINC000308560307 573334500 /nfs/dbraw/zinc/33/45/00/573334500.db2.gz WYFKZVANZXVHMZ-UHFFFAOYSA-N 0 0 197.297 3.846 10 30 AHEERN CC[C@@H]1CCC[C@](C#N)(CCCF)C1 ZINC000308561001 573354614 /nfs/dbraw/zinc/35/46/14/573354614.db2.gz WCKWWBGBTHBFJR-NEPJUHHUSA-N 0 0 197.297 3.846 10 30 AHEERN CC[C@H]1CCC[C@@](C#N)(CCCF)C1 ZINC000308561002 573356074 /nfs/dbraw/zinc/35/60/74/573356074.db2.gz WCKWWBGBTHBFJR-NWDGAFQWSA-N 0 0 197.297 3.846 10 30 AHEERN CC[C@H]1CCC[C@](C#N)(CCCF)C1 ZINC000308561003 573358400 /nfs/dbraw/zinc/35/84/00/573358400.db2.gz WCKWWBGBTHBFJR-RYUDHWBXSA-N 0 0 197.297 3.846 10 30 AHEERN CC[C@@H]1CCC[C@@](C#N)(CCCF)C1 ZINC000308561004 573356845 /nfs/dbraw/zinc/35/68/45/573356845.db2.gz WCKWWBGBTHBFJR-VXGBXAGGSA-N 0 0 197.297 3.846 10 30 AHEERN CCCCCCC[C@@H](O)C1(CC)CC1 ZINC000308561717 573354448 /nfs/dbraw/zinc/35/44/48/573354448.db2.gz XUFOMLQNLBSNJQ-GFCCVEGCSA-N 0 0 198.350 3.898 10 30 AHEERN CCCCCCC[C@H](O)C1(CC)CC1 ZINC000308561718 573357481 /nfs/dbraw/zinc/35/74/81/573357481.db2.gz XUFOMLQNLBSNJQ-LBPRGKRZSA-N 0 0 198.350 3.898 10 30 AHEERN C=CCCCCCC(=O)C1(CC)CC1 ZINC000308562109 573360594 /nfs/dbraw/zinc/36/05/94/573360594.db2.gz YAZZMRLHIOADRR-UHFFFAOYSA-N 0 0 194.318 3.882 10 30 AHEERN C=CCCCCCn1cc(C)c(C)c1 ZINC000308562354 573362661 /nfs/dbraw/zinc/36/26/61/573362661.db2.gz WUOCLCXSSVQHPQ-UHFFFAOYSA-N 0 0 191.318 3.851 10 30 AHEERN CCC1CCC(C#N)(CCCF)CC1 ZINC000308566442 573382874 /nfs/dbraw/zinc/38/28/74/573382874.db2.gz YQENSBFIKOHVTO-UHFFFAOYSA-N 0 0 197.297 3.846 10 30 AHEERN C=C(CC)[C@@H](C)[C@H](O)[C@@H](C)C(=C)CC ZINC000308570344 573394746 /nfs/dbraw/zinc/39/47/46/573394746.db2.gz DQAOAKFNSZDOCK-ITGUQSILSA-N 0 0 196.334 3.552 10 30 AHEERN C=C(CC)[C@H](C)C(O)[C@@H](C)C(=C)CC ZINC000308570345 573391807 /nfs/dbraw/zinc/39/18/07/573391807.db2.gz DQAOAKFNSZDOCK-RYUDHWBXSA-N 0 0 196.334 3.552 10 30 AHEERN C=C(CC)[C@@H](C)C(O)[C@H](C)C(=C)CC ZINC000308570346 573392939 /nfs/dbraw/zinc/39/29/39/573392939.db2.gz DQAOAKFNSZDOCK-VXGBXAGGSA-N 0 0 196.334 3.552 10 30 AHEERN CCC1(CC(=O)C2=CCCC2)CCC1 ZINC000308573933 573397174 /nfs/dbraw/zinc/39/71/74/573397174.db2.gz LSKRQILXKORHFU-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN C=CC[C@H](CCC)[C@@H](O)CCCCC ZINC000308574503 573403441 /nfs/dbraw/zinc/40/34/41/573403441.db2.gz GOCLVWSLBFRSNP-OLZOCXBDSA-N 0 0 198.350 3.920 10 30 AHEERN C=CC[C@@H](CCC)[C@H](O)CCCCC ZINC000308574505 573404801 /nfs/dbraw/zinc/40/48/01/573404801.db2.gz GOCLVWSLBFRSNP-QWHCGFSZSA-N 0 0 198.350 3.920 10 30 AHEERN CCCCCCCCC[C@@H]1C[C@@H]1CO ZINC000308580036 573417472 /nfs/dbraw/zinc/41/74/72/573417472.db2.gz JKVDMYWAJYLHSV-CHWSQXEVSA-N 0 0 198.350 3.756 10 30 AHEERN CCCCCCCCC[C@@H]1C[C@H]1CO ZINC000308580037 573416302 /nfs/dbraw/zinc/41/63/02/573416302.db2.gz JKVDMYWAJYLHSV-OLZOCXBDSA-N 0 0 198.350 3.756 10 30 AHEERN C=C[C@](C)(CCCC)[C@H](O)CCCC ZINC000308581526 573431464 /nfs/dbraw/zinc/43/14/64/573431464.db2.gz KAYGHUAULBQZMF-CHWSQXEVSA-N 0 0 198.350 3.920 10 30 AHEERN C=C[C@](C)(CCCC)[C@@H](O)CCCC ZINC000308581529 573435199 /nfs/dbraw/zinc/43/51/99/573435199.db2.gz KAYGHUAULBQZMF-QWHCGFSZSA-N 0 0 198.350 3.920 10 30 AHEERN C=C[C@@](C)(CCCC)[C@@H](O)CCCC ZINC000308581530 573433224 /nfs/dbraw/zinc/43/32/24/573433224.db2.gz KAYGHUAULBQZMF-STQMWFEESA-N 0 0 198.350 3.920 10 30 AHEERN C=C[C@@H](C)C[C@H](O)CCCCCCC ZINC000308582359 573440711 /nfs/dbraw/zinc/44/07/11/573440711.db2.gz KMKIJLZIEIWIPP-CHWSQXEVSA-N 0 0 198.350 3.920 10 30 AHEERN C=C[C@@H](C)C[C@@H](O)CCCCCCC ZINC000308582360 573440973 /nfs/dbraw/zinc/44/09/73/573440973.db2.gz KMKIJLZIEIWIPP-OLZOCXBDSA-N 0 0 198.350 3.920 10 30 AHEERN C=C[C@H](C)C[C@H](O)CCCCCCC ZINC000308582361 573440597 /nfs/dbraw/zinc/44/05/97/573440597.db2.gz KMKIJLZIEIWIPP-QWHCGFSZSA-N 0 0 198.350 3.920 10 30 AHEERN C=C[C@H](C)C[C@@H](O)CCCCCCC ZINC000308582362 573438929 /nfs/dbraw/zinc/43/89/29/573438929.db2.gz KMKIJLZIEIWIPP-STQMWFEESA-N 0 0 198.350 3.920 10 30 AHEERN C=C1C[C@@]1(C)[C@H](O)CCCCCCC ZINC000308584525 573470167 /nfs/dbraw/zinc/47/01/67/573470167.db2.gz LKFYJMYNRFLZJF-CHWSQXEVSA-N 0 0 196.334 3.674 10 30 AHEERN C=C1C[C@]1(C)[C@H](O)CCCCCCC ZINC000308584528 573473097 /nfs/dbraw/zinc/47/30/97/573473097.db2.gz LKFYJMYNRFLZJF-OLZOCXBDSA-N 0 0 196.334 3.674 10 30 AHEERN C=C1C[C@@]1(C)[C@@H](O)CCCCCCC ZINC000308584530 573468664 /nfs/dbraw/zinc/46/86/64/573468664.db2.gz LKFYJMYNRFLZJF-QWHCGFSZSA-N 0 0 196.334 3.674 10 30 AHEERN C=C1C[C@]1(C)[C@@H](O)CCCCCCC ZINC000308584533 573471707 /nfs/dbraw/zinc/47/17/07/573471707.db2.gz LKFYJMYNRFLZJF-STQMWFEESA-N 0 0 196.334 3.674 10 30 AHEERN CCCC1(C(=O)C2=CCCCC2)CC1 ZINC000308586561 573445258 /nfs/dbraw/zinc/44/52/58/573445258.db2.gz IOUMOHLZABDBKT-UHFFFAOYSA-N 0 0 192.302 3.636 10 30 AHEERN CCCCCCCCCC[C@@H]1C[C@H]1O ZINC000308593322 573489271 /nfs/dbraw/zinc/48/92/71/573489271.db2.gz QIKXJLXFMCTDRQ-CHWSQXEVSA-N 0 0 198.350 3.898 10 30 AHEERN CCCCCCCCCC[C@@H]1C[C@@H]1O ZINC000308593323 573487502 /nfs/dbraw/zinc/48/75/02/573487502.db2.gz QIKXJLXFMCTDRQ-OLZOCXBDSA-N 0 0 198.350 3.898 10 30 AHEERN CCCCCCCCCC[C@H]1C[C@H]1O ZINC000308593325 573487130 /nfs/dbraw/zinc/48/71/30/573487130.db2.gz QIKXJLXFMCTDRQ-QWHCGFSZSA-N 0 0 198.350 3.898 10 30 AHEERN CCCCCCCCCC[C@H]1C[C@@H]1O ZINC000308593326 573490641 /nfs/dbraw/zinc/49/06/41/573490641.db2.gz QIKXJLXFMCTDRQ-STQMWFEESA-N 0 0 198.350 3.898 10 30 AHEERN CC[C@H]1CC[C@](C#N)(CCC2CC2)C1 ZINC000308594339 573477507 /nfs/dbraw/zinc/47/75/07/573477507.db2.gz QUTRLJBFALMHPC-AAEUAGOBSA-N 0 0 191.318 3.897 10 30 AHEERN CC[C@@H]1CC[C@@](C#N)(CCC2CC2)C1 ZINC000308594340 573476112 /nfs/dbraw/zinc/47/61/12/573476112.db2.gz QUTRLJBFALMHPC-DGCLKSJQSA-N 0 0 191.318 3.897 10 30 AHEERN CC[C@H]1CC[C@@](C#N)(CCC2CC2)C1 ZINC000308594341 573476810 /nfs/dbraw/zinc/47/68/10/573476810.db2.gz QUTRLJBFALMHPC-WCQYABFASA-N 0 0 191.318 3.897 10 30 AHEERN CC[C@@H]1CC[C@](C#N)(CCC2CC2)C1 ZINC000308594342 573473607 /nfs/dbraw/zinc/47/36/07/573473607.db2.gz QUTRLJBFALMHPC-YPMHNXCESA-N 0 0 191.318 3.897 10 30 AHEERN C=C[C@H](C)[C@H](O)[C@@H](C)CCCCCC ZINC000308594869 573479947 /nfs/dbraw/zinc/47/99/47/573479947.db2.gz REHSSNWBDDRFNW-AVGNSLFASA-N 0 0 198.350 3.776 10 30 AHEERN C=C[C@H](C)[C@@H](O)[C@H](C)CCCCCC ZINC000308594872 573481765 /nfs/dbraw/zinc/48/17/65/573481765.db2.gz REHSSNWBDDRFNW-YNEHKIRRSA-N 0 0 198.350 3.776 10 30 AHEERN C=CC[C@@H](O)C[C@@H](C)C1CCCCC1 ZINC000308595704 573479833 /nfs/dbraw/zinc/47/98/33/573479833.db2.gz RSJPUXURFBFOQK-DGCLKSJQSA-N 0 0 196.334 3.530 10 30 AHEERN C=CC[C@H](O)C[C@@H](C)C1CCCCC1 ZINC000308595707 573481972 /nfs/dbraw/zinc/48/19/72/573481972.db2.gz RSJPUXURFBFOQK-YPMHNXCESA-N 0 0 196.334 3.530 10 30 AHEERN C=CC[C@H](CO)[C@H](C)CCCC(C)C ZINC000308596489 573478671 /nfs/dbraw/zinc/47/86/71/573478671.db2.gz SCIMBNQPAJOZOL-CHWSQXEVSA-N 0 0 198.350 3.633 10 30 AHEERN C=CC[C@@H](CO)[C@H](C)CCCC(C)C ZINC000308596490 573482794 /nfs/dbraw/zinc/48/27/94/573482794.db2.gz SCIMBNQPAJOZOL-OLZOCXBDSA-N 0 0 198.350 3.633 10 30 AHEERN C=CC[C@H](CO)[C@@H](C)CCCC(C)C ZINC000308596491 573482421 /nfs/dbraw/zinc/48/24/21/573482421.db2.gz SCIMBNQPAJOZOL-QWHCGFSZSA-N 0 0 198.350 3.633 10 30 AHEERN C=CC[C@@H](CO)[C@@H](C)CCCC(C)C ZINC000308596492 573479019 /nfs/dbraw/zinc/47/90/19/573479019.db2.gz SCIMBNQPAJOZOL-STQMWFEESA-N 0 0 198.350 3.633 10 30 AHEERN CC(=O)/C=C\C1CCC(C(C)C)CC1 ZINC000308596495 573481700 /nfs/dbraw/zinc/48/17/00/573481700.db2.gz SCRCMNREZXGIFW-PLNGDYQASA-N 0 0 194.318 3.594 10 30 AHEERN C=C(C)CCC[C@@]1(C)CCCC[C@H]1O ZINC000308599836 573486256 /nfs/dbraw/zinc/48/62/56/573486256.db2.gz UHTXLWDLKJKJQO-CHWSQXEVSA-N 0 0 196.334 3.674 10 30 AHEERN C=C(C)CCC[C@]1(C)CCCC[C@H]1O ZINC000308599837 573486297 /nfs/dbraw/zinc/48/62/97/573486297.db2.gz UHTXLWDLKJKJQO-OLZOCXBDSA-N 0 0 196.334 3.674 10 30 AHEERN C=C(C)CCC[C@@]1(C)CCCC[C@@H]1O ZINC000308599838 573486369 /nfs/dbraw/zinc/48/63/69/573486369.db2.gz UHTXLWDLKJKJQO-QWHCGFSZSA-N 0 0 196.334 3.674 10 30 AHEERN C=C(C)CCC[C@]1(C)CCCC[C@@H]1O ZINC000308599839 573486101 /nfs/dbraw/zinc/48/61/01/573486101.db2.gz UHTXLWDLKJKJQO-STQMWFEESA-N 0 0 196.334 3.674 10 30 AHEERN C=CC[C@H](CO)[C@H](CCC)CCCC ZINC000308602473 573508991 /nfs/dbraw/zinc/50/89/91/573508991.db2.gz VHMKCPIIOSCCMM-CHWSQXEVSA-N 0 0 198.350 3.778 10 30 AHEERN C=CC[C@@H](CO)[C@H](CCC)CCCC ZINC000308602475 573510383 /nfs/dbraw/zinc/51/03/83/573510383.db2.gz VHMKCPIIOSCCMM-OLZOCXBDSA-N 0 0 198.350 3.778 10 30 AHEERN C=CC[C@H](CO)[C@@H](CCC)CCCC ZINC000308602476 573509421 /nfs/dbraw/zinc/50/94/21/573509421.db2.gz VHMKCPIIOSCCMM-QWHCGFSZSA-N 0 0 198.350 3.778 10 30 AHEERN C=CC[C@@H](CO)[C@@H](CCC)CCCC ZINC000308602478 573510650 /nfs/dbraw/zinc/51/06/50/573510650.db2.gz VHMKCPIIOSCCMM-STQMWFEESA-N 0 0 198.350 3.778 10 30 AHEERN C#CCCC[C@]1(C#N)CC[C@@H](CC)C1 ZINC000308606635 573526919 /nfs/dbraw/zinc/52/69/19/573526919.db2.gz WRZHSYDEEPLNKJ-OLZOCXBDSA-N 0 0 189.302 3.510 10 30 AHEERN C#CCCC[C@@]1(C#N)CC[C@H](CC)C1 ZINC000308606640 573523074 /nfs/dbraw/zinc/52/30/74/573523074.db2.gz WRZHSYDEEPLNKJ-QWHCGFSZSA-N 0 0 189.302 3.510 10 30 AHEERN C#CCCC[C@]1(C#N)CC[C@H](CC)C1 ZINC000308606642 573522760 /nfs/dbraw/zinc/52/27/60/573522760.db2.gz WRZHSYDEEPLNKJ-STQMWFEESA-N 0 0 189.302 3.510 10 30 AHEERN C=CCCCCCCC[C@H](CC)CO ZINC000308608695 573502032 /nfs/dbraw/zinc/50/20/32/573502032.db2.gz XKOBJYDHXGPQKD-ZDUSSCGKSA-N 0 0 198.350 3.922 10 30 AHEERN C=C[C@H](C)CCC[C@H](C)[C@@H](O)C(=C)C ZINC000308611298 573545254 /nfs/dbraw/zinc/54/52/54/573545254.db2.gz YLBUKQUZULWHDH-AVGNSLFASA-N 0 0 196.334 3.552 10 30 AHEERN C=C[C@H](C)CCC[C@H](C)[C@H](O)C(=C)C ZINC000308611299 573548034 /nfs/dbraw/zinc/54/80/34/573548034.db2.gz YLBUKQUZULWHDH-RWMBFGLXSA-N 0 0 196.334 3.552 10 30 AHEERN C=C[C@H](C)CCC[C@@H](C)[C@@H](O)C(=C)C ZINC000308611300 573544829 /nfs/dbraw/zinc/54/48/29/573544829.db2.gz YLBUKQUZULWHDH-XQQFMLRXSA-N 0 0 196.334 3.552 10 30 AHEERN C=C[C@H](C)CCC[C@@H](C)[C@H](O)C(=C)C ZINC000308611302 573544626 /nfs/dbraw/zinc/54/46/26/573544626.db2.gz YLBUKQUZULWHDH-YNEHKIRRSA-N 0 0 196.334 3.552 10 30 AHEERN C=CCC[C@@H](O)[C@H](C=C)CCCCC ZINC000308613253 573526524 /nfs/dbraw/zinc/52/65/24/573526524.db2.gz ZBSYQTMRAVAIEI-CHWSQXEVSA-N 0 0 196.334 3.696 10 30 AHEERN C=CCC[C@H](O)[C@H](C=C)CCCCC ZINC000308613254 573521590 /nfs/dbraw/zinc/52/15/90/573521590.db2.gz ZBSYQTMRAVAIEI-OLZOCXBDSA-N 0 0 196.334 3.696 10 30 AHEERN C=CCC[C@@H](O)[C@@H](C=C)CCCCC ZINC000308613255 573525620 /nfs/dbraw/zinc/52/56/20/573525620.db2.gz ZBSYQTMRAVAIEI-QWHCGFSZSA-N 0 0 196.334 3.696 10 30 AHEERN C=CCC[C@H](O)[C@@H](C=C)CCCCC ZINC000308613258 573524445 /nfs/dbraw/zinc/52/44/45/573524445.db2.gz ZBSYQTMRAVAIEI-STQMWFEESA-N 0 0 196.334 3.696 10 30 AHEERN C=C[C@H](O)CC/C(C)=C/CCC(=C)C ZINC000308617056 573540200 /nfs/dbraw/zinc/54/02/00/573540200.db2.gz ASRRLYJGSUASCN-RPHSKFLZSA-N 0 0 194.318 3.616 10 30 AHEERN C=C[C@@H](O)CC/C(C)=C/CCC(=C)C ZINC000308617060 573542082 /nfs/dbraw/zinc/54/20/82/573542082.db2.gz ASRRLYJGSUASCN-YQCJOKCJSA-N 0 0 194.318 3.616 10 30 AHEERN C=C[C@@H](C)[C@@H](C)[C@H](C)[C@H](O)CCCC ZINC000308617214 573541564 /nfs/dbraw/zinc/54/15/64/573541564.db2.gz AZSVGQCFGQMAAV-FVCCEPFGSA-N 0 0 198.350 3.632 10 30 AHEERN C=C[C@@H](C)[C@H](C)[C@H](C)[C@H](O)CCCC ZINC000308617218 573538287 /nfs/dbraw/zinc/53/82/87/573538287.db2.gz AZSVGQCFGQMAAV-MROQNXINSA-N 0 0 198.350 3.632 10 30 AHEERN C=C[C@H](C)[C@@H](C)[C@H](C)[C@H](O)CCCC ZINC000308617221 573539198 /nfs/dbraw/zinc/53/91/98/573539198.db2.gz AZSVGQCFGQMAAV-QNWHQSFQSA-N 0 0 198.350 3.632 10 30 AHEERN C=C[C@@H](C)C/C=C(/CCCO)C(C)C ZINC000308618067 573538388 /nfs/dbraw/zinc/53/83/88/573538388.db2.gz BSRPRQGKQRSNOD-FNWMBBJUSA-N 0 0 196.334 3.554 10 30 AHEERN C=C[C@H](C)C/C=C(/CCCO)C(C)C ZINC000308618071 573539638 /nfs/dbraw/zinc/53/96/38/573539638.db2.gz BSRPRQGKQRSNOD-VWLVURMCSA-N 0 0 196.334 3.554 10 30 AHEERN C=C[C@H](C)/C(=C/CCCCCC)CO ZINC000308618170 573539530 /nfs/dbraw/zinc/53/95/30/573539530.db2.gz CCRSRWOXQYLJQJ-CVCOIXHCSA-N 0 0 196.334 3.698 10 30 AHEERN C=C[C@@H](C)/C(=C/CCCCCC)CO ZINC000308618172 573541480 /nfs/dbraw/zinc/54/14/80/573541480.db2.gz CCRSRWOXQYLJQJ-GMCKNXKJSA-N 0 0 196.334 3.698 10 30 AHEERN C=C[C@H](/C=C\CCCCC)C[C@H](C)O ZINC000308620766 573554740 /nfs/dbraw/zinc/55/47/40/573554740.db2.gz FGZALPVNYXETIC-GWJJPBGRSA-N 0 0 196.334 3.696 10 30 AHEERN C=CCC/C=C(/C)CC/C=C\CCO ZINC000308622145 573564636 /nfs/dbraw/zinc/56/46/36/573564636.db2.gz GSPAWURHRPSIQB-MUIHLJEFSA-N 0 0 194.318 3.618 10 30 AHEERN C=CCC/C=C(\C)CC/C=C\CCO ZINC000308622146 573563807 /nfs/dbraw/zinc/56/38/07/573563807.db2.gz GSPAWURHRPSIQB-UHYAQULISA-N 0 0 194.318 3.618 10 30 AHEERN CCCCCC/C=C\C1([C@@H](C)O)CC1 ZINC000308622847 573562003 /nfs/dbraw/zinc/56/20/03/573562003.db2.gz HHQQFPRNXNXDHM-JLVNDZCYSA-N 0 0 196.334 3.674 10 30 AHEERN CCCCCC/C=C\C1([C@H](C)O)CC1 ZINC000308622848 573562608 /nfs/dbraw/zinc/56/26/08/573562608.db2.gz HHQQFPRNXNXDHM-LAUAKBEESA-N 0 0 196.334 3.674 10 30 AHEERN CCCCCC/C=C/[C@H](CC)CCO ZINC000308625567 573570107 /nfs/dbraw/zinc/57/01/07/573570107.db2.gz KSPXOURKXXEENA-LXKVQUBZSA-N 0 0 198.350 3.922 10 30 AHEERN CCCCCC/C=C\[C@H](CC)CCO ZINC000308625568 573568304 /nfs/dbraw/zinc/56/83/04/573568304.db2.gz KSPXOURKXXEENA-XPSMFNQNSA-N 0 0 198.350 3.922 10 30 AHEERN C=C(CCCCCC)C[C@@H](CC)CO ZINC000308625569 573570262 /nfs/dbraw/zinc/57/02/62/573570262.db2.gz KSZGMNHWWKNOED-CYBMUJFWSA-N 0 0 198.350 3.922 10 30 AHEERN C=C(C)/C=C\[C@H](CC[C@H](C)O)C(C)C ZINC000308625606 573568239 /nfs/dbraw/zinc/56/82/39/573568239.db2.gz KXCPAUWIRBMTET-SVSNBYFCSA-N 0 0 196.334 3.552 10 30 AHEERN C=C[C@@H](C)[C@@H](O)CC[C@H](C)CC(C)C ZINC000308626938 573547680 /nfs/dbraw/zinc/54/76/80/573547680.db2.gz NSKYJMJEZZAIDK-XQQFMLRXSA-N 0 0 198.350 3.632 10 30 AHEERN C=C[C@@H](C)[C@H](O)CC[C@H](C)CC(C)C ZINC000308626939 573544762 /nfs/dbraw/zinc/54/47/62/573544762.db2.gz NSKYJMJEZZAIDK-YNEHKIRRSA-N 0 0 198.350 3.632 10 30 AHEERN C=C(C)CC/C=C(/C)[C@@H](O)CC(C)C ZINC000308626942 573545174 /nfs/dbraw/zinc/54/51/74/573545174.db2.gz NSUFNPXSGLROHG-FSBNRTBOSA-N 0 0 196.334 3.696 10 30 AHEERN C=C(C)CC/C=C(/C)[C@H](O)CC(C)C ZINC000308626943 573545744 /nfs/dbraw/zinc/54/57/44/573545744.db2.gz NSUFNPXSGLROHG-LLBKUYECSA-N 0 0 196.334 3.696 10 30 AHEERN C=C/C=C\CCCCC[C@@H](O)C(=C)C ZINC000308627369 573543627 /nfs/dbraw/zinc/54/36/27/573543627.db2.gz OPQXMRFYDYXHQA-CFHLNLSMSA-N 0 0 194.318 3.616 10 30 AHEERN C=C[C@H](C)[C@H](O)/C(C)=C/CCCCC ZINC000308629501 573551972 /nfs/dbraw/zinc/55/19/72/573551972.db2.gz RXOHMMSHKHQSJV-IPLAKBNRSA-N 0 0 196.334 3.696 10 30 AHEERN C=C[C@H](C)[C@@H](O)/C(C)=C/CCCCC ZINC000308629505 573551544 /nfs/dbraw/zinc/55/15/44/573551544.db2.gz RXOHMMSHKHQSJV-ZWRVYWDGSA-N 0 0 196.334 3.696 10 30 AHEERN C=C(C)/C=C\C[C@H](C)[C@@H](O)CCCC ZINC000308630775 573552777 /nfs/dbraw/zinc/55/27/77/573552777.db2.gz UIGBBZYNXSXHTI-YHQHFJRFSA-N 0 0 196.334 3.696 10 30 AHEERN C=C(CCCCCC)C/C(C)=C\CO ZINC000308631132 573589365 /nfs/dbraw/zinc/58/93/65/573589365.db2.gz URFLEHPAPGZUSG-LCYFTJDESA-N 0 0 196.334 3.842 10 30 AHEERN C=CC[C@@H](O)/C=C/C=C\CCCCC ZINC000308632259 573593428 /nfs/dbraw/zinc/59/34/28/573593428.db2.gz VTHLAOWHTPBWAF-CVYJHLFKSA-N 0 0 194.318 3.616 10 30 AHEERN C=C(/C=C\CCCCC)[C@@H](O)CCC ZINC000308634462 573571952 /nfs/dbraw/zinc/57/19/52/573571952.db2.gz XJWHFEVBSXNNIF-FUWURINLSA-N 0 0 196.334 3.840 10 30 AHEERN C=C(/C=C\CCCCC)[C@H](O)CCC ZINC000308634466 573572913 /nfs/dbraw/zinc/57/29/13/573572913.db2.gz XJWHFEVBSXNNIF-PRWOLLLXSA-N 0 0 196.334 3.840 10 30 AHEERN CCCCCCCCC(C=O)=C(C)O ZINC000308635796 573579184 /nfs/dbraw/zinc/57/91/84/573579184.db2.gz YMQGVNUDZJAHPJ-ZRDIBKRKSA-N 0 0 198.306 3.768 10 30 AHEERN C=CC[C@H](O)C[C@@H](C)/C=C\CC(C)C ZINC000308636066 573577671 /nfs/dbraw/zinc/57/76/71/573577671.db2.gz YZXCZOCLOKNHKS-LFCSJDMJSA-N 0 0 196.334 3.552 10 30 AHEERN C=CC[C@H](O)C[C@H](C)/C=C\CC(C)C ZINC000308636067 573575867 /nfs/dbraw/zinc/57/58/67/573575867.db2.gz YZXCZOCLOKNHKS-VDQNYZKDSA-N 0 0 196.334 3.552 10 30 AHEERN C=C(C)CCOc1ccc(C)c(C)c1 ZINC000308700837 573745522 /nfs/dbraw/zinc/74/55/22/573745522.db2.gz UZVFBXHMPIGOSB-UHFFFAOYSA-N 0 0 190.286 3.648 10 30 AHEERN C=C(CC)C[C@@H](O)C(C)(C)C(C)(C)C ZINC000308725886 573795895 /nfs/dbraw/zinc/79/58/95/573795895.db2.gz GOUSTSDWBYUWIM-LLVKDONJSA-N 0 0 198.350 3.776 10 30 AHEERN C=C(CC)C[C@H](O)C(C)(C)C(C)(C)C ZINC000308725887 573796781 /nfs/dbraw/zinc/79/67/81/573796781.db2.gz GOUSTSDWBYUWIM-NSHDSACASA-N 0 0 198.350 3.776 10 30 AHEERN C=C(C)CCC(=O)C(C)(C)C(C)(C)C ZINC000308752601 573822899 /nfs/dbraw/zinc/82/28/99/573822899.db2.gz VAVAORYJRCTAIM-UHFFFAOYSA-N 0 0 196.334 3.984 10 30 AHEERN C=C[C@@H](C)n1ccc2cccc(CC)c21 ZINC000308768656 573860607 /nfs/dbraw/zinc/86/06/07/573860607.db2.gz YNSYRDFGONYMKY-LLVKDONJSA-N 0 0 199.297 3.951 10 30 AHEERN C=C[C@H](C)n1ccc2cccc(CC)c21 ZINC000308768657 573859836 /nfs/dbraw/zinc/85/98/36/573859836.db2.gz YNSYRDFGONYMKY-NSHDSACASA-N 0 0 199.297 3.951 10 30 AHEERN CC[C@](C)(C#N)[C@@H]1C[C@H]1c1ccccc1 ZINC000308791876 574036804 /nfs/dbraw/zinc/03/68/04/574036804.db2.gz DHNRTMUISHFWIR-BFHYXJOUSA-N 0 0 199.297 3.730 10 30 AHEERN CC[C@](C)(C#N)[C@H]1C[C@@H]1c1ccccc1 ZINC000308791880 574035256 /nfs/dbraw/zinc/03/52/56/574035256.db2.gz DHNRTMUISHFWIR-HZSPNIEDSA-N 0 0 199.297 3.730 10 30 AHEERN CC[C@](C)(C#N)[C@H]1C[C@H]1c1ccccc1 ZINC000308791884 574035272 /nfs/dbraw/zinc/03/52/72/574035272.db2.gz DHNRTMUISHFWIR-MELADBBJSA-N 0 0 199.297 3.730 10 30 AHEERN CC[C@](C)(C#N)[C@@H]1C[C@@H]1c1ccccc1 ZINC000308791887 574035940 /nfs/dbraw/zinc/03/59/40/574035940.db2.gz DHNRTMUISHFWIR-MGPQQGTHSA-N 0 0 199.297 3.730 10 30 AHEERN CC[C@@](C)(C#N)C[C@@H]1Cc2ccccc21 ZINC000308798088 573571112 /nfs/dbraw/zinc/57/11/12/573571112.db2.gz IWXJNLQMZZXASE-GXTWGEPZSA-N 0 0 199.297 3.656 10 30 AHEERN CC[C@](C)(C#N)C[C@H]1Cc2ccccc21 ZINC000308798090 573570835 /nfs/dbraw/zinc/57/08/35/573570835.db2.gz IWXJNLQMZZXASE-OCCSQVGLSA-N 0 0 199.297 3.656 10 30 AHEERN CC[C@@](C)(C#N)C[C@H]1Cc2ccccc21 ZINC000308798091 573578257 /nfs/dbraw/zinc/57/82/57/573578257.db2.gz IWXJNLQMZZXASE-TZMCWYRMSA-N 0 0 199.297 3.656 10 30 AHEERN N#CC1(C/C=C/c2ccccc2)CCC1 ZINC000308822080 573967191 /nfs/dbraw/zinc/96/71/91/573967191.db2.gz YTTCDKITTFWBFD-XBXARRHUSA-N 0 0 197.281 3.784 10 30 AHEERN N#CC1(C/C=C\c2ccccc2)CCC1 ZINC000308822083 573967738 /nfs/dbraw/zinc/96/77/38/573967738.db2.gz YTTCDKITTFWBFD-YWEYNIOJSA-N 0 0 197.281 3.784 10 30 AHEERN C/C=C/C(=O)C[C@@H](C)C1CCCCC1 ZINC000310340474 571845501 /nfs/dbraw/zinc/84/55/01/571845501.db2.gz NXQJOJPWPWIDGW-CGAJTASUSA-N 0 0 194.318 3.738 10 30 AHEERN C/C=C\C(=O)C[C@@H](C)C1CCCCC1 ZINC000310340475 571844030 /nfs/dbraw/zinc/84/40/30/571844030.db2.gz NXQJOJPWPWIDGW-KGHNQEBZSA-N 0 0 194.318 3.738 10 30 AHEERN C/C=C/C(=O)C[C@H](C)C1CCCCC1 ZINC000310340478 571845771 /nfs/dbraw/zinc/84/57/71/571845771.db2.gz NXQJOJPWPWIDGW-KTROKBFUSA-N 0 0 194.318 3.738 10 30 AHEERN C/C=C\C(=O)C[C@H](C)C1CCCCC1 ZINC000310340479 571845286 /nfs/dbraw/zinc/84/52/86/571845286.db2.gz NXQJOJPWPWIDGW-UFVHFEBBSA-N 0 0 194.318 3.738 10 30 AHEERN CC(=O)/C=C1\CCCC12CCCCC2 ZINC000312990800 572978836 /nfs/dbraw/zinc/97/88/36/572978836.db2.gz ARAOXEZQIQRFSZ-ZRDIBKRKSA-N 0 0 192.302 3.636 10 30 AHEERN C=CCC[C@](O)(CCC)C1CCCC1 ZINC000313395847 573559903 /nfs/dbraw/zinc/55/99/03/573559903.db2.gz OFXTYWJOONHTTI-CYBMUJFWSA-N 0 0 196.334 3.674 10 30 AHEERN C=CCC[C@@](O)(CCC)C1CCCC1 ZINC000313395848 573560661 /nfs/dbraw/zinc/56/06/61/573560661.db2.gz OFXTYWJOONHTTI-ZDUSSCGKSA-N 0 0 196.334 3.674 10 30 AHEERN CCC[C@H](C)[C@]1(C=O)CCC[C@@H](C)C1 ZINC000317208147 571745653 /nfs/dbraw/zinc/74/56/53/571745653.db2.gz VYWVEMSRIBXHGG-FRRDWIJNSA-N 0 0 196.334 3.818 10 30 AHEERN CC[C@H](C)C[C@@]1(C=O)CCC[C@@H](C)C1 ZINC000317421292 572759534 /nfs/dbraw/zinc/75/95/34/572759534.db2.gz NYXLPDDGECGWFR-XQQFMLRXSA-N 0 0 196.334 3.818 10 30 AHEERN CC[C@H](C)C[C@]1(C=O)CCC[C@@H](C)C1 ZINC000317421295 572758530 /nfs/dbraw/zinc/75/85/30/572758530.db2.gz NYXLPDDGECGWFR-YNEHKIRRSA-N 0 0 196.334 3.818 10 30 AHEERN CCC(CC)C1(C=O)CCC(C)CC1 ZINC000317432819 572909691 /nfs/dbraw/zinc/90/96/91/572909691.db2.gz PTQKJIROJAVYMV-UHFFFAOYSA-N 0 0 196.334 3.818 10 30 AHEERN C=C[C@H](C)C1(C=O)CCC(CC)CC1 ZINC000317564073 572916254 /nfs/dbraw/zinc/91/62/54/572916254.db2.gz KSGRPTXTGMFMQN-HIFPTAJRSA-N 0 0 194.318 3.594 10 30 AHEERN CC[C@](C)(C=O)[C@@H]1C=CCCCCC1 ZINC000317595214 375477281 /nfs/dbraw/zinc/47/72/81/375477281.db2.gz RDTMYQUDYJHMGG-CHWSQXEVSA-N 0 0 194.318 3.738 10 30 AHEERN CC[C@@](C)(C=O)[C@@H]1C=CCCCCC1 ZINC000317595215 375476885 /nfs/dbraw/zinc/47/68/85/375476885.db2.gz RDTMYQUDYJHMGG-OLZOCXBDSA-N 0 0 194.318 3.738 10 30 AHEERN CC[C@](C)(C=O)[C@H]1C=CCCCCC1 ZINC000317595216 375477446 /nfs/dbraw/zinc/47/74/46/375477446.db2.gz RDTMYQUDYJHMGG-QWHCGFSZSA-N 0 0 194.318 3.738 10 30 AHEERN CC[C@@](C)(C=O)[C@H]1C=CCCCCC1 ZINC000317595217 375477721 /nfs/dbraw/zinc/47/77/21/375477721.db2.gz RDTMYQUDYJHMGG-STQMWFEESA-N 0 0 194.318 3.738 10 30 AHEERN CCC(CC)[C@]1(C=O)CC[C@@H](CC)C1 ZINC000317670597 573971033 /nfs/dbraw/zinc/97/10/33/573971033.db2.gz FSJRVCACMOMBBM-DGCLKSJQSA-N 0 0 196.334 3.818 10 30 AHEERN CC1CCC(C#N)(C/C=C\Cl)CC1 ZINC000379364998 571761668 /nfs/dbraw/zinc/76/16/68/571761668.db2.gz IQMYXSPTSLEOBM-WAPJZHGLSA-N 0 0 197.709 3.849 10 30 AHEERN CC(C)(C#N)[C@@H]1C=CCCCCC1 ZINC000379365195 571759414 /nfs/dbraw/zinc/75/94/14/571759414.db2.gz IZAFTDLJWNAOKF-LLVKDONJSA-N 0 0 177.291 3.673 10 30 AHEERN CC(C)(C#N)[C@H]1C=CCCCCC1 ZINC000379365196 571759447 /nfs/dbraw/zinc/75/94/47/571759447.db2.gz IZAFTDLJWNAOKF-NSHDSACASA-N 0 0 177.291 3.673 10 30 AHEERN C[C@@H]1CCC[C@](C#N)(C/C=C\Cl)C1 ZINC000379365446 571759072 /nfs/dbraw/zinc/75/90/72/571759072.db2.gz JGFDDIKRTHYQJM-JEIZLPFHSA-N 0 0 197.709 3.849 10 30 AHEERN C[C@@H]1CCC[C@@](C#N)(C/C=C\Cl)C1 ZINC000379365447 571758323 /nfs/dbraw/zinc/75/83/23/571758323.db2.gz JGFDDIKRTHYQJM-RRJXKJFGSA-N 0 0 197.709 3.849 10 30 AHEERN C/C=C\C[C@]1(C#N)CCC[C@@H](C)C1 ZINC000379371090 352152958 /nfs/dbraw/zinc/15/29/58/352152958.db2.gz SJKFYARMWJTPCV-BKGLOODYSA-N 0 0 177.291 3.673 10 30 AHEERN C/C=C\C[C@]1(C#N)CCC[C@H](C)C1 ZINC000379371091 352152977 /nfs/dbraw/zinc/15/29/77/352152977.db2.gz SJKFYARMWJTPCV-WGPFEIJOSA-N 0 0 177.291 3.673 10 30 AHEERN C[C@@H]1CCCC[C@]1(C#N)C/C=C\Cl ZINC000384873763 346540985 /nfs/dbraw/zinc/54/09/85/346540985.db2.gz PFVRQWUMMQRVBO-GKJMHVSUSA-N 0 0 197.709 3.849 10 30 AHEERN C[C@@H]1CCCC[C@@]1(C#N)C/C=C\Cl ZINC000384873775 346540750 /nfs/dbraw/zinc/54/07/50/346540750.db2.gz PFVRQWUMMQRVBO-XQXCJCPYSA-N 0 0 197.709 3.849 10 30 AHEERN C=C/C(C)=C\[C@@H](C)/C=C(\C)CCC=O ZINC000393579387 573274046 /nfs/dbraw/zinc/27/40/46/573274046.db2.gz DRBMBUQTTFRVMD-ULYJGHHBSA-N 0 0 192.302 3.680 10 30 AHEERN CCCCCCC[C@@](C)(O)C1CCC1 ZINC000393651421 573793338 /nfs/dbraw/zinc/79/33/38/573793338.db2.gz CMFWUZBEGUNMLL-CYBMUJFWSA-N 0 0 198.350 3.898 10 30 AHEERN CCCCCCC[C@](C)(O)C1CCC1 ZINC000393651719 573805011 /nfs/dbraw/zinc/80/50/11/573805011.db2.gz CMFWUZBEGUNMLL-ZDUSSCGKSA-N 0 0 198.350 3.898 10 30 AHEERN CC(=O)/C(C)=C\C1(C)CCCCCC1 ZINC000394761629 571916024 /nfs/dbraw/zinc/91/60/24/571916024.db2.gz WQGIBABTGAIKRR-KHPPLWFESA-N 0 0 194.318 3.882 10 30 AHEERN C/C=C\C[C@]1(C#N)CCCC[C@@H]1C ZINC000395061724 573053117 /nfs/dbraw/zinc/05/31/17/573053117.db2.gz VKXPEEWRSHQTOU-RRNNCXACSA-N 0 0 177.291 3.673 10 30 AHEERN N#CC1(C[C@@H]2CC=CCC2)CCCC1 ZINC000402174149 573934284 /nfs/dbraw/zinc/93/42/84/573934284.db2.gz YLDCSNCZHRFCRY-GFCCVEGCSA-N 0 0 189.302 3.817 10 30 AHEERN N#CC1(C[C@H]2CC=CCC2)CCCC1 ZINC000402174151 573935124 /nfs/dbraw/zinc/93/51/24/573935124.db2.gz YLDCSNCZHRFCRY-LBPRGKRZSA-N 0 0 189.302 3.817 10 30 AHEERN CC[C@](C)(C#N)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403587602 572605163 /nfs/dbraw/zinc/60/51/63/572605163.db2.gz DGHKAIREUCKARA-NDBYEHHHSA-N 0 0 191.318 3.753 10 30 AHEERN CC[C@](C)(C#N)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403587604 572604990 /nfs/dbraw/zinc/60/49/90/572604990.db2.gz DGHKAIREUCKARA-XQHKEYJVSA-N 0 0 191.318 3.753 10 30 AHEERN C=CCCC[C@@](O)(CC)[C@@H]1CC1(C)C ZINC000404264600 571702270 /nfs/dbraw/zinc/70/22/70/571702270.db2.gz ZGPBAEKRDKOCDF-YPMHNXCESA-N 0 0 196.334 3.530 10 30 AHEERN C=CCCC[C@]1(O)C[C@H](C)CC[C@H]1C ZINC000404317010 572089875 /nfs/dbraw/zinc/08/98/75/572089875.db2.gz GKJQEOQRVPOWTG-UPJWGTAASA-N 0 0 196.334 3.530 10 30 AHEERN C=CCCc1ccccc1CSC ZINC000404421619 571989681 /nfs/dbraw/zinc/98/96/81/571989681.db2.gz CEXVSNYCZWPQSQ-UHFFFAOYSA-N 0 0 192.327 3.668 10 30 AHEERN C=CCCCc1cccc(Cl)c1F ZINC000404422674 571989478 /nfs/dbraw/zinc/98/94/78/571989478.db2.gz DNTHOIZOTYRXLK-UHFFFAOYSA-N 0 0 198.668 3.988 10 30 AHEERN C=CCCCCc1ccncc1Cl ZINC000404451672 346642842 /nfs/dbraw/zinc/64/28/42/346642842.db2.gz GXFYACYGGHZTRH-UHFFFAOYSA-N 0 0 195.693 3.634 10 30 AHEERN C=CCCC[C@@H]1CCCC[C@H]1OC ZINC000404471332 572718599 /nfs/dbraw/zinc/71/85/99/572718599.db2.gz QZABSOQYLSWPNC-VXGBXAGGSA-N 0 0 182.307 3.548 10 30 AHEERN C=CCCCc1ccsc1Cl ZINC000404485204 572801907 /nfs/dbraw/zinc/80/19/07/572801907.db2.gz KEOMBEGWGHOJRH-UHFFFAOYSA-N 0 0 186.707 3.910 10 30 AHEERN C=CCCc1ccsc1Cl ZINC000404510277 571845547 /nfs/dbraw/zinc/84/55/47/571845547.db2.gz QDQDHPXCEMOVML-UHFFFAOYSA-N 0 0 172.680 3.520 10 30 AHEERN CCCCCCCOc1ccccc1 ZINC000575154811 346714234 /nfs/dbraw/zinc/71/42/34/346714234.db2.gz KRXYEDBPGBSZMU-UHFFFAOYSA-N 0 0 191.294 3.786 10 30 AHEERN CCCC#C[Si](CC)(CC)CC ZINC000575154854 346714252 /nfs/dbraw/zinc/71/42/52/346714252.db2.gz SRYAJZKYWHKDSD-UHFFFAOYSA-N 0 0 181.375 3.652 10 30 AHEERN C=CCCCOc1c(C)cccc1C ZINC000575191300 352196930 /nfs/dbraw/zinc/19/69/30/352196930.db2.gz DRYLBBWRPAAGSJ-UHFFFAOYSA-N 0 0 189.278 3.562 10 30 AHEERN C=CCCCCOc1cccc(C)c1 ZINC000575191341 352196890 /nfs/dbraw/zinc/19/68/90/352196890.db2.gz YIOWDZWFRPFDCY-UHFFFAOYSA-N 0 0 189.278 3.562 10 30 AHEERN CC(C)[C@H]1CCCCC[C@H]1S ZINC000575592988 352840392 /nfs/dbraw/zinc/84/03/92/352840392.db2.gz YKCPDOWNPVXQHU-NXEZZACHSA-N 0 0 172.337 3.521 10 30 AHEERN CC(C)[C@@H]1CCCCC[C@@H]1S ZINC000575592996 352840417 /nfs/dbraw/zinc/84/04/17/352840417.db2.gz YKCPDOWNPVXQHU-UWVGGRQHSA-N 0 0 172.337 3.521 10 30 AHEERN CC(C)[C@@H]1CCCCC[C@H]1S ZINC000575592997 352839960 /nfs/dbraw/zinc/83/99/60/352839960.db2.gz YKCPDOWNPVXQHU-VHSXEESVSA-N 0 0 172.337 3.521 10 30 AHEERN CC(C)[C@H]1CCCCC[C@@H]1S ZINC000575592999 352839770 /nfs/dbraw/zinc/83/97/70/352839770.db2.gz YKCPDOWNPVXQHU-ZJUUUORDSA-N 0 0 172.337 3.521 10 30 AHEERN C=C(C)COc1ccccc1CCC ZINC000584593153 346719228 /nfs/dbraw/zinc/71/92/28/346719228.db2.gz FBKICIXCNDDGLO-UHFFFAOYSA-N 0 0 190.286 3.594 10 30 AHEERN CC[C@H](C)C[C@@H](C#N)c1ccccc1 ZINC000584594779 346719161 /nfs/dbraw/zinc/71/91/61/346719161.db2.gz ZNCLWMCQMVRBBP-AAEUAGOBSA-N 0 0 187.286 3.730 10 30 AHEERN CC[C@@H](C)C[C@@H](C#N)c1ccccc1 ZINC000584594787 346719500 /nfs/dbraw/zinc/71/95/00/346719500.db2.gz ZNCLWMCQMVRBBP-YPMHNXCESA-N 0 0 187.286 3.730 10 30 AHEERN C=CC1CCC(CCCC#N)CC1 ZINC000584600621 346720508 /nfs/dbraw/zinc/72/05/08/346720508.db2.gz QWPMSCNADBLPDD-UHFFFAOYSA-N 0 0 177.291 3.673 10 30 AHEERN CCP(C#Cc1ccccc1)CC ZINC000584602542 346721574 /nfs/dbraw/zinc/72/15/74/346721574.db2.gz ZIJFOYGMFTZMNF-UHFFFAOYSA-N 0 0 190.226 3.517 10 30 AHEERN C=C1C(C)=C(OCC(C)C)CC1(C)C ZINC000584603253 352906315 /nfs/dbraw/zinc/90/63/15/352906315.db2.gz NQQOYJXUBNNSHI-UHFFFAOYSA-N 0 0 194.318 3.919 10 30 AHEERN C=CCCCCSC(F)(F)F ZINC000584604948 346721855 /nfs/dbraw/zinc/72/18/55/346721855.db2.gz OBRHQZZKXLJOEP-UHFFFAOYSA-N 0 0 184.226 3.596 10 30 AHEERN C/C(Cl)=N/c1ccc(Cl)cc1 ZINC000584607197 346723267 /nfs/dbraw/zinc/72/32/67/346723267.db2.gz OUEBWFJFLAAVQE-WDZFZDKYSA-N 0 0 188.057 3.629 10 30 AHEERN C/C(Cl)=N/c1c(C)cc(C)cc1C ZINC000584607782 346723947 /nfs/dbraw/zinc/72/39/47/346723947.db2.gz DLJNYAKJCSNJLB-RAXLEYEMSA-N 0 0 195.693 3.901 10 30 AHEERN C=CC[C@H](OC)[C@H](C)CCCCC ZINC000584609200 346725065 /nfs/dbraw/zinc/72/50/65/346725065.db2.gz UOYKEUOLCDSSBW-NEPJUHHUSA-N 0 0 184.323 3.794 10 30 AHEERN C=C(/C=C/c1ccccc1)C(F)(F)F ZINC000584609267 346725565 /nfs/dbraw/zinc/72/55/65/346725565.db2.gz DRMQXSRQSHLYDL-BQYQJAHWSA-N 0 0 198.187 3.818 10 30 AHEERN CCCCCC/C=C/COC(C)C ZINC000584609565 371836472 /nfs/dbraw/zinc/83/64/72/371836472.db2.gz PKRHWZLZAHPYBF-MDZDMXLPSA-N 0 0 184.323 3.938 10 30 AHEERN CCCCCC/C=C/COCCC ZINC000584609617 346725961 /nfs/dbraw/zinc/72/59/61/346725961.db2.gz RQWLSTWHYRXRRM-MDZDMXLPSA-N 0 0 184.323 3.940 10 30 AHEERN C=C/C=C/CC1(C#N)CCCCC1 ZINC000584609754 346725757 /nfs/dbraw/zinc/72/57/57/346725757.db2.gz ZOYJGIVMUUECNW-HWKANZROSA-N 0 0 175.275 3.593 10 30 AHEERN C=C[C@@](C)(S)c1cccc(Cl)c1 ZINC000584610308 346726645 /nfs/dbraw/zinc/72/66/45/346726645.db2.gz BRWXLEQJHGVSNN-SNVBAGLBSA-N 0 0 198.718 3.671 10 30 AHEERN C=C[C@@](C)(S)c1ccc(Cl)cc1 ZINC000584610317 346726466 /nfs/dbraw/zinc/72/64/66/346726466.db2.gz ILNQFRBCGWXSRL-SNVBAGLBSA-N 0 0 198.718 3.671 10 30 AHEERN C/C=C/CC#CCCCCC ZINC000584610360 346727188 /nfs/dbraw/zinc/72/71/88/346727188.db2.gz DHUQPGQCXJSKAC-HWKANZROSA-N 0 0 150.265 3.536 10 30 AHEERN C=C[C@@H](/C=C\C)c1ccccc1 ZINC000584611189 346728092 /nfs/dbraw/zinc/72/80/92/346728092.db2.gz VVICFKMHLSDIAR-DZHRUPLWSA-N 0 0 158.244 3.532 10 30 AHEERN C=C[C@H]1CCCC1(CC)CC ZINC000584614156 375553589 /nfs/dbraw/zinc/55/35/89/375553589.db2.gz WAOQUKVCSVHOTK-JTQLQIEISA-N 0 0 152.281 3.779 10 30 AHEERN C=C[C@@H]1CCCC1(CC)CC ZINC000584614157 375553277 /nfs/dbraw/zinc/55/32/77/375553277.db2.gz WAOQUKVCSVHOTK-SNVBAGLBSA-N 0 0 152.281 3.779 10 30 AHEERN C=C1CCc2ccc(C(C)(C)C)cc21 ZINC000584618190 346730045 /nfs/dbraw/zinc/73/00/45/346730045.db2.gz HPUGTPJQPRCEMJ-UHFFFAOYSA-N 0 0 186.298 3.944 10 30 AHEERN CC1(C)CC(C)(C)c2cc(C#N)ccc21 ZINC000584618474 346729988 /nfs/dbraw/zinc/72/99/88/346729988.db2.gz IWKIWZJYDOKYJZ-UHFFFAOYSA-N 0 0 199.297 3.517 10 30 AHEERN CC[C@@H]1C=Cc2ccccc2[C@H]1CC#N ZINC000584620558 346731249 /nfs/dbraw/zinc/73/12/49/346731249.db2.gz JFRIILYJLZQMFD-RISCZKNCSA-N 0 0 197.281 3.737 10 30 AHEERN CC[C@H]1C=Cc2ccccc2[C@@H]1CC#N ZINC000584620559 346731276 /nfs/dbraw/zinc/73/12/76/346731276.db2.gz JFRIILYJLZQMFD-SMDDNHRTSA-N 0 0 197.281 3.737 10 30 AHEERN C=CC(F)(F)c1c(C)cc(C)cc1C ZINC000584621585 352907158 /nfs/dbraw/zinc/90/71/58/352907158.db2.gz BVDFEEDRAUSRNH-UHFFFAOYSA-N 0 0 196.240 3.890 10 30 AHEERN C=CC(F)(F)c1cc(C)ccc1C ZINC000584621869 346731531 /nfs/dbraw/zinc/73/15/31/346731531.db2.gz QGKQDTPKUUSZKM-UHFFFAOYSA-N 0 0 182.213 3.581 10 30 AHEERN C=C1c2ccccc2CC[C@]1(F)Cl ZINC000584624615 346732433 /nfs/dbraw/zinc/73/24/33/346732433.db2.gz NVYVKRMDOUESMH-LLVKDONJSA-N 0 0 196.652 3.551 10 30 AHEERN C=C1c2ccccc2CC[C@@]1(F)Cl ZINC000584624616 346732188 /nfs/dbraw/zinc/73/21/88/346732188.db2.gz NVYVKRMDOUESMH-NSHDSACASA-N 0 0 196.652 3.551 10 30 AHEERN CCC=C1CC(=O)C(CCC)=C1CC ZINC000584625166 346732201 /nfs/dbraw/zinc/73/22/01/346732201.db2.gz FZILOFKNHHKINP-JXMROGBWSA-N 0 0 192.302 3.802 10 30 AHEERN C/C=C(\CCC)C(=O)c1ccsc1 ZINC000584625291 346732669 /nfs/dbraw/zinc/73/26/69/346732669.db2.gz QKXIZRBSBZLKLT-RUDMXATFSA-N 0 0 194.299 3.677 10 30 AHEERN CCCCCC#CCC=C(C)C ZINC000584625937 371839522 /nfs/dbraw/zinc/83/95/22/371839522.db2.gz NCEMPLBHUFCLOR-UHFFFAOYSA-N 0 0 164.292 3.926 10 30 AHEERN O=CCC[C@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000584626784 346732971 /nfs/dbraw/zinc/73/29/71/346732971.db2.gz MKFOJHOFKGJILB-AVGNSLFASA-N 0 0 194.318 3.572 10 30 AHEERN C=CCCC(F)(F)CCC=C ZINC000584636708 352908538 /nfs/dbraw/zinc/90/85/38/352908538.db2.gz WQUJSYTUCFUUHM-UHFFFAOYSA-N 0 0 160.207 3.554 10 30 AHEERN C=C(C)c1ccccc1NC(C)C ZINC000584645378 346740622 /nfs/dbraw/zinc/74/06/22/346740622.db2.gz NCXQTWJEPWCYSR-UHFFFAOYSA-N 0 0 175.275 3.540 10 30 AHEERN C=C(C)/C(C)=C/c1ccccc1 ZINC000584652483 346742875 /nfs/dbraw/zinc/74/28/75/346742875.db2.gz NENCROXNWZADSY-PKNBQFBNSA-N 0 0 158.244 3.666 10 30 AHEERN C=CC[C@H]1CC(C)=CC1(C)C ZINC000584657014 346743506 /nfs/dbraw/zinc/74/35/06/346743506.db2.gz SJOVFYHDUJKHEK-JTQLQIEISA-N 0 0 150.265 3.555 10 30 AHEERN C=CC[C@@H]1CC(C)=CC1(C)C ZINC000584657015 346743445 /nfs/dbraw/zinc/74/34/45/346743445.db2.gz SJOVFYHDUJKHEK-SNVBAGLBSA-N 0 0 150.265 3.555 10 30 AHEERN C/C(=N\O)C1CCCCCCCC1 ZINC000584657375 346744025 /nfs/dbraw/zinc/74/40/25/346744025.db2.gz LQJQMABADIVEOB-ZRDIBKRKSA-N 0 0 183.295 3.587 10 30 AHEERN C=C(C)[C@@H]1CC=C[C@H]2CCC[C@H]21 ZINC000584657769 346744919 /nfs/dbraw/zinc/74/49/19/346744919.db2.gz HRUOQJXKEQCJRE-SDDRHHMPSA-N 0 0 162.276 3.555 10 30 AHEERN C=CCCCOCC1CCCCC1 ZINC000584659542 346745719 /nfs/dbraw/zinc/74/57/19/346745719.db2.gz QQZCJFPDLJFPFA-UHFFFAOYSA-N 0 0 182.307 3.550 10 30 AHEERN CCc1nc2ccccc2cc1N=[N+]=[N-] ZINC000669378714 538445242 /nfs/dbraw/zinc/44/52/42/538445242.db2.gz NWPDOOGWTUDQEU-UHFFFAOYSA-N 0 0 198.229 3.739 10 30 AHEERN Cc1sccc1-c1ccc(C#N)cc1 ZINC000675082711 537810583 /nfs/dbraw/zinc/81/05/83/537810583.db2.gz YYEBJEKOJGZRFY-UHFFFAOYSA-N 0 0 199.278 3.595 10 30 AHEERN O=CCCCCCCCCC1CC1 ZINC000685951506 537831594 /nfs/dbraw/zinc/83/15/94/537831594.db2.gz ASXWYCRFLMYNDT-UHFFFAOYSA-N 0 0 182.307 3.716 10 30 AHEERN CCCC/C=C\[C@@H](C)[C@](C)(C=O)CC ZINC000687751415 571951897 /nfs/dbraw/zinc/95/18/97/571951897.db2.gz AHZVGHAHGGSXGB-BWFAQCLASA-N 0 0 196.334 3.984 10 30 AHEERN C(=C/CC1CCCCC1)\CC[C@@H]1CO1 ZINC000687770421 571993305 /nfs/dbraw/zinc/99/33/05/571993305.db2.gz DFPJVKNOHLMACJ-ADQTWTKMSA-N 0 0 194.318 3.692 10 30 AHEERN C(=C\CC1CCCCC1)\CC[C@@H]1CO1 ZINC000687770425 571994235 /nfs/dbraw/zinc/99/42/35/571994235.db2.gz DFPJVKNOHLMACJ-JLIVMUMWSA-N 0 0 194.318 3.692 10 30 AHEERN C(=C\CC1CCCCC1)\CC[C@H]1CO1 ZINC000687770426 571993743 /nfs/dbraw/zinc/99/37/43/571993743.db2.gz DFPJVKNOHLMACJ-LWJUFGILSA-N 0 0 194.318 3.692 10 30 AHEERN C(=C/CC1CCCCC1)\CC[C@H]1CO1 ZINC000687770427 571994370 /nfs/dbraw/zinc/99/43/70/571994370.db2.gz DFPJVKNOHLMACJ-NDRDAGNVSA-N 0 0 194.318 3.692 10 30 AHEERN CC/C=C\[C@@H](CCCCC)[C@H](C)C=O ZINC000687806751 571895738 /nfs/dbraw/zinc/89/57/38/571895738.db2.gz UPUYUQSJKRJJHO-HYOAPIGFSA-N 0 0 196.334 3.984 10 30 AHEERN N#CC1(CCCC(F)F)CCCC1 ZINC000688739329 573471551 /nfs/dbraw/zinc/47/15/51/573471551.db2.gz OLZQMIKVCLGIDE-UHFFFAOYSA-N 0 0 187.233 3.506 10 30 AHEERN CC[C@@](C)(C#N)C[C@H](C)CC(F)F ZINC000688750537 573823267 /nfs/dbraw/zinc/82/32/67/573823267.db2.gz YUSAXCDKFWRPRI-PSASIEDQSA-N 0 0 189.249 3.608 10 30 AHEERN CC[C@](C)(C#N)C[C@H](C)CC(F)F ZINC000688750543 573823625 /nfs/dbraw/zinc/82/36/25/573823625.db2.gz YUSAXCDKFWRPRI-SCZZXKLOSA-N 0 0 189.249 3.608 10 30 AHEERN CC[C@@](C)(C#N)C[C@@H](C)CC(F)F ZINC000688750545 573824417 /nfs/dbraw/zinc/82/44/17/573824417.db2.gz YUSAXCDKFWRPRI-WCBMZHEXSA-N 0 0 189.249 3.608 10 30 AHEERN CC[C@](C)(C#N)C[C@@H](C)CC(F)F ZINC000688750546 573823862 /nfs/dbraw/zinc/82/38/62/573823862.db2.gz YUSAXCDKFWRPRI-WPRPVWTQSA-N 0 0 189.249 3.608 10 30 AHEERN C=C[C@@H](C)Nc1ccc(C2CC2)cc1 ZINC000690103761 574034769 /nfs/dbraw/zinc/03/47/69/574034769.db2.gz ZBELYUSGEJUMCC-SNVBAGLBSA-N 0 0 187.286 3.550 10 30 AHEERN CC/C=C/C(=O)CCC(C)(C)CC ZINC000711258000 571933063 /nfs/dbraw/zinc/93/30/63/571933063.db2.gz WSHISFJAFWCHSX-BQYQJAHWSA-N 0 0 182.307 3.738 10 30 AHEERN CC/C=C\C(=O)CCC(C)(C)CC ZINC000711258002 571935479 /nfs/dbraw/zinc/93/54/79/571935479.db2.gz WSHISFJAFWCHSX-FPLPWBNLSA-N 0 0 182.307 3.738 10 30 AHEERN C=C(C)CCCc1ccsc1 ZINC000711271757 571933086 /nfs/dbraw/zinc/93/30/86/571933086.db2.gz KVTMJCWXLLKYJD-UHFFFAOYSA-N 0 0 166.289 3.647 10 30 AHEERN C=CCC[C@](C)(O)CC(C)(C)CC ZINC000713247339 572402801 /nfs/dbraw/zinc/40/28/01/572402801.db2.gz PNRGWHVJEZVVAZ-LBPRGKRZSA-N 0 0 184.323 3.530 10 30 AHEERN CCC(=CC(=O)CC(C)(C)C)CC ZINC000713306275 572575699 /nfs/dbraw/zinc/57/56/99/572575699.db2.gz VGCPRLYCLKXYQG-UHFFFAOYSA-N 0 0 182.307 3.738 10 30 AHEERN C[C@H]1CCC[C@]1(C#N)CC(C)(C)C ZINC000713355452 572582575 /nfs/dbraw/zinc/58/25/75/572582575.db2.gz LRUVJLXEVSMSBP-CMPLNLGQSA-N 0 0 179.307 3.753 10 30 AHEERN C[C@H]1CCC[C@@]1(C#N)CC(C)(C)C ZINC000713355453 572578369 /nfs/dbraw/zinc/57/83/69/572578369.db2.gz LRUVJLXEVSMSBP-JQWIXIFHSA-N 0 0 179.307 3.753 10 30 AHEERN C[C@@H]1CCC[C@@]1(C#N)CC(C)(C)C ZINC000713355455 572579843 /nfs/dbraw/zinc/57/98/43/572579843.db2.gz LRUVJLXEVSMSBP-PWSUYJOCSA-N 0 0 179.307 3.753 10 30 AHEERN C[C@@H]1CCC[C@]1(C#N)CC(C)(C)C ZINC000713355456 572581544 /nfs/dbraw/zinc/58/15/44/572581544.db2.gz LRUVJLXEVSMSBP-ZYHUDNBSSA-N 0 0 179.307 3.753 10 30 AHEERN CCC(C)(C)C[C@]1(C#N)CC1(C)C ZINC000713368296 572585102 /nfs/dbraw/zinc/58/51/02/572585102.db2.gz CTZYRDQVTOBHOY-GFCCVEGCSA-N 0 0 179.307 3.753 10 30 AHEERN CCC(C)(C)C[C@@]1(C#N)CC1(C)C ZINC000713368307 572583463 /nfs/dbraw/zinc/58/34/63/572583463.db2.gz CTZYRDQVTOBHOY-LBPRGKRZSA-N 0 0 179.307 3.753 10 30 AHEERN CC(C)C(C)(C)CC1=CC(=O)CCC1 ZINC000713368333 572582794 /nfs/dbraw/zinc/58/27/94/572582794.db2.gz CYILRLOXYPBBDF-UHFFFAOYSA-N 0 0 194.318 3.738 10 30 AHEERN CC(C)C(C)(C)C[C@]1(C#N)CC1(C)C ZINC000713370816 572583144 /nfs/dbraw/zinc/58/31/44/572583144.db2.gz GEAUKGASDLAHGX-CYBMUJFWSA-N 0 0 193.334 3.999 10 30 AHEERN CC(C)C(C)(C)C[C@@]1(C#N)CC1(C)C ZINC000713370817 572586847 /nfs/dbraw/zinc/58/68/47/572586847.db2.gz GEAUKGASDLAHGX-ZDUSSCGKSA-N 0 0 193.334 3.999 10 30 AHEERN C=C/C=C/CCC(=O)C=C(CC)CC ZINC000713685401 572340482 /nfs/dbraw/zinc/34/04/82/572340482.db2.gz PNQZIPGSNGYBSX-BQYQJAHWSA-N 0 0 192.302 3.824 10 30 AHEERN C=C/C=C\CCC(=O)C=C(CC)CC ZINC000713685405 572341993 /nfs/dbraw/zinc/34/19/93/572341993.db2.gz PNQZIPGSNGYBSX-FPLPWBNLSA-N 0 0 192.302 3.824 10 30 AHEERN C=C/C=C\CC[C@]1(C=O)CC[C@H](C)C1 ZINC000713702283 572405501 /nfs/dbraw/zinc/40/55/01/572405501.db2.gz RDJAUEMOQRYPHN-AIMRDXAKSA-N 0 0 192.302 3.514 10 30 AHEERN C=C/C=C\CC[C@]1(C=O)CC[C@@H](C)C1 ZINC000713702288 572404287 /nfs/dbraw/zinc/40/42/87/572404287.db2.gz RDJAUEMOQRYPHN-CIUCYMIDSA-N 0 0 192.302 3.514 10 30 AHEERN C=C/C=C/CC[C@]1(C=O)CC[C@@H](C)C1 ZINC000713702291 572405423 /nfs/dbraw/zinc/40/54/23/572405423.db2.gz RDJAUEMOQRYPHN-DRHCNIFCSA-N 0 0 192.302 3.514 10 30 AHEERN C=C/C=C/CC[C@]1(C=O)CC[C@H](C)C1 ZINC000713702294 572406954 /nfs/dbraw/zinc/40/69/54/572406954.db2.gz RDJAUEMOQRYPHN-WWKJKZQJSA-N 0 0 192.302 3.514 10 30 AHEERN C/C=C/C[C@@H](C)c1ccc(C#N)cc1 ZINC000714530902 572683697 /nfs/dbraw/zinc/68/36/97/572683697.db2.gz PTYKFJLLWSZZCU-PGLGOXFNSA-N 0 0 185.270 3.628 10 30 AHEERN C/C=C/C[C@H](C)c1ccc(C#N)cc1 ZINC000714530903 572684178 /nfs/dbraw/zinc/68/41/78/572684178.db2.gz PTYKFJLLWSZZCU-UFFNRZRYSA-N 0 0 185.270 3.628 10 30 AHEERN C=CC[C@H](C)[C@](CC)(CO)CCCC ZINC000715027834 573854582 /nfs/dbraw/zinc/85/45/82/573854582.db2.gz FOYPWFSNFBBQHN-STQMWFEESA-N 0 0 198.350 3.778 10 30 AHEERN C=CC[C@H](C)[C@@H](O)[C@H](C)CC(C)(C)C ZINC000715028251 573858313 /nfs/dbraw/zinc/85/83/13/573858313.db2.gz HVYSWLNZEVVSFO-QJPTWQEYSA-N 0 0 198.350 3.632 10 30 AHEERN C=CC[C@H](C)[C@@H](O)[C@@H](C)CC(C)(C)C ZINC000715028253 573856064 /nfs/dbraw/zinc/85/60/64/573856064.db2.gz HVYSWLNZEVVSFO-SDDRHHMPSA-N 0 0 198.350 3.632 10 30 AHEERN C=CC[C@H](C)[C@H](O)[C@@H](C)CC(C)(C)C ZINC000715028260 573858931 /nfs/dbraw/zinc/85/89/31/573858931.db2.gz HVYSWLNZEVVSFO-SRVKXCTJSA-N 0 0 198.350 3.632 10 30 AHEERN C=CC[C@H](C)[C@H](O)[C@H](C)CC(C)(C)C ZINC000715028263 573856316 /nfs/dbraw/zinc/85/63/16/573856316.db2.gz HVYSWLNZEVVSFO-TUAOUCFPSA-N 0 0 198.350 3.632 10 30 AHEERN C=CC[C@H](C)[C@@H](O)CC1CCCCC1 ZINC000715046357 573884344 /nfs/dbraw/zinc/88/43/44/573884344.db2.gz LPBCGDZQQAOYEN-AAEUAGOBSA-N 0 0 196.334 3.530 10 30 AHEERN C=CC[C@@H](C)[C@H](O)CC1CCCCC1 ZINC000715046358 573885224 /nfs/dbraw/zinc/88/52/24/573885224.db2.gz LPBCGDZQQAOYEN-DGCLKSJQSA-N 0 0 196.334 3.530 10 30 AHEERN C=CC[C@H](C)[C@H](O)CC1CCCCC1 ZINC000715046359 573888365 /nfs/dbraw/zinc/88/83/65/573888365.db2.gz LPBCGDZQQAOYEN-WCQYABFASA-N 0 0 196.334 3.530 10 30 AHEERN C=CC[C@@H](C)[C@@H](O)CC1CCCCC1 ZINC000715046360 573886826 /nfs/dbraw/zinc/88/68/26/573886826.db2.gz LPBCGDZQQAOYEN-YPMHNXCESA-N 0 0 196.334 3.530 10 30 AHEERN C=CC[C@H](C)[C@@H](O)C1(CCC)CCC1 ZINC000715056230 573903397 /nfs/dbraw/zinc/90/33/97/573903397.db2.gz BFSSHHKSDRQIHI-NWDGAFQWSA-N 0 0 196.334 3.530 10 30 AHEERN C=CC[C@H](C)[C@H](O)C1(CCC)CCC1 ZINC000715056233 573905947 /nfs/dbraw/zinc/90/59/47/573905947.db2.gz BFSSHHKSDRQIHI-RYUDHWBXSA-N 0 0 196.334 3.530 10 30 AHEERN C=CC[C@@H](C)[C@@H](O)C1(CCC)CCC1 ZINC000715056236 573904384 /nfs/dbraw/zinc/90/43/84/573904384.db2.gz BFSSHHKSDRQIHI-VXGBXAGGSA-N 0 0 196.334 3.530 10 30 AHEERN C=CC[C@H](C)[C@@](C)(O)CCC(C)(C)C ZINC000715058256 573911169 /nfs/dbraw/zinc/91/11/69/573911169.db2.gz NQUCGVWGODGEFM-AAEUAGOBSA-N 0 0 198.350 3.776 10 30 AHEERN C=CC[C@@H](C)[C@](C)(O)CCC(C)(C)C ZINC000715058257 573908233 /nfs/dbraw/zinc/90/82/33/573908233.db2.gz NQUCGVWGODGEFM-DGCLKSJQSA-N 0 0 198.350 3.776 10 30 AHEERN C=CC[C@H](C)[C@](C)(O)CCC(C)(C)C ZINC000715058258 573912036 /nfs/dbraw/zinc/91/20/36/573912036.db2.gz NQUCGVWGODGEFM-WCQYABFASA-N 0 0 198.350 3.776 10 30 AHEERN C=CC[C@@H](C)[C@@](C)(O)CCC(C)(C)C ZINC000715058259 573912454 /nfs/dbraw/zinc/91/24/54/573912454.db2.gz NQUCGVWGODGEFM-YPMHNXCESA-N 0 0 198.350 3.776 10 30 AHEERN C=CC[C@H](C)Nc1c(C)cccc1F ZINC000715070228 573934687 /nfs/dbraw/zinc/93/46/87/573934687.db2.gz QHFRQFMNFJFMPH-JTQLQIEISA-N 0 0 193.265 3.511 10 30 AHEERN C=CC[C@@H](C)Nc1c(C)cccc1F ZINC000715070230 573934249 /nfs/dbraw/zinc/93/42/49/573934249.db2.gz QHFRQFMNFJFMPH-SNVBAGLBSA-N 0 0 193.265 3.511 10 30 AHEERN C=CC[C@@H](C)Nc1cc(C)cc(C)c1 ZINC000715070457 573935294 /nfs/dbraw/zinc/93/52/94/573935294.db2.gz QWYGSXDOFSIWHL-GFCCVEGCSA-N 0 0 189.302 3.680 10 30 AHEERN C=CC[C@H](C)Nc1cc(C)cc(C)c1 ZINC000715070458 573935716 /nfs/dbraw/zinc/93/57/16/573935716.db2.gz QWYGSXDOFSIWHL-LBPRGKRZSA-N 0 0 189.302 3.680 10 30 AHEERN C=CC[C@H](C)Nc1cc(F)ccc1C ZINC000715070779 573932124 /nfs/dbraw/zinc/93/21/24/573932124.db2.gz UPGOLGGXYSOVTD-JTQLQIEISA-N 0 0 193.265 3.511 10 30 AHEERN C=CC[C@@H](C)Nc1cc(F)ccc1C ZINC000715070782 573932378 /nfs/dbraw/zinc/93/23/78/573932378.db2.gz UPGOLGGXYSOVTD-SNVBAGLBSA-N 0 0 193.265 3.511 10 30 AHEERN C=CC[C@@H](C)n1ccc2ccccc21 ZINC000715710213 573231515 /nfs/dbraw/zinc/23/15/15/573231515.db2.gz OOCXUODVBUGLKQ-LLVKDONJSA-N 0 0 185.270 3.778 10 30 AHEERN C=CC[C@H](C)n1ccc2ccccc21 ZINC000715710238 573234758 /nfs/dbraw/zinc/23/47/58/573234758.db2.gz OOCXUODVBUGLKQ-NSHDSACASA-N 0 0 185.270 3.778 10 30 AHEERN C=CC[C@@H](C)C(=O)[C@@H](CC)CC(C)C ZINC000715715379 573232981 /nfs/dbraw/zinc/23/29/81/573232981.db2.gz PXAZDHLNHCJWJB-NEPJUHHUSA-N 0 0 196.334 3.840 10 30 AHEERN C=CC[C@H](C)C(=O)[C@H](CC)CC(C)C ZINC000715715381 573231369 /nfs/dbraw/zinc/23/13/69/573231369.db2.gz PXAZDHLNHCJWJB-NWDGAFQWSA-N 0 0 196.334 3.840 10 30 AHEERN C=CC[C@H](C)C(=O)[C@@H](CC)CC(C)C ZINC000715715383 573232611 /nfs/dbraw/zinc/23/26/11/573232611.db2.gz PXAZDHLNHCJWJB-RYUDHWBXSA-N 0 0 196.334 3.840 10 30 AHEERN C=CC[C@@H](C)C(=O)[C@H](CC)CC(C)C ZINC000715715385 573234755 /nfs/dbraw/zinc/23/47/55/573234755.db2.gz PXAZDHLNHCJWJB-VXGBXAGGSA-N 0 0 196.334 3.840 10 30 AHEERN C=CC[C@H](C)Oc1cc(C)ccc1C ZINC000715723424 573242267 /nfs/dbraw/zinc/24/22/67/573242267.db2.gz GJLFJXJMSLHGIR-LBPRGKRZSA-N 0 0 190.286 3.647 10 30 AHEERN C=CC[C@H](C)Oc1cc(C)cc(C)c1 ZINC000715723444 573241253 /nfs/dbraw/zinc/24/12/53/573241253.db2.gz GLHHLKINDSRRCU-LBPRGKRZSA-N 0 0 190.286 3.647 10 30 AHEERN C=CC[C@H](C)Oc1ccc(CC)cc1 ZINC000715724405 573243932 /nfs/dbraw/zinc/24/39/32/573243932.db2.gz JBCLLVUNLUFWSB-NSHDSACASA-N 0 0 190.286 3.592 10 30 AHEERN C=CC[C@H](C)Oc1ccc(C)cc1C ZINC000715725495 573242656 /nfs/dbraw/zinc/24/26/56/573242656.db2.gz NRTYRSDZNQWKON-LBPRGKRZSA-N 0 0 190.286 3.647 10 30 AHEERN C=CC[C@@H](C)[C@H]1CCC(C)(C)CC1=O ZINC000715754635 573277441 /nfs/dbraw/zinc/27/74/41/573277441.db2.gz HEDOILHUAGEYHP-GHMZBOCLSA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@@H](C)[C@@H]1CCC(C)(C)CC1=O ZINC000715754648 573278722 /nfs/dbraw/zinc/27/87/22/573278722.db2.gz HEDOILHUAGEYHP-MNOVXSKESA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@H](C)[C@@H]1CCC(C)(C)CC1=O ZINC000715754654 573278185 /nfs/dbraw/zinc/27/81/85/573278185.db2.gz HEDOILHUAGEYHP-QWRGUYRKSA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@H](C)[C@H]1CCC(C)(C)CC1=O ZINC000715754661 573275264 /nfs/dbraw/zinc/27/52/64/573275264.db2.gz HEDOILHUAGEYHP-WDEREUQCSA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@H](C)[C@H]1C[C@H](CC)CCC1=O ZINC000715758783 573296721 /nfs/dbraw/zinc/29/67/21/573296721.db2.gz SIRPJUNABOHSAD-QJPTWQEYSA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@H](C)[C@H]1C[C@@H](CC)CCC1=O ZINC000715758790 573295992 /nfs/dbraw/zinc/29/59/92/573295992.db2.gz SIRPJUNABOHSAD-SDDRHHMPSA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@H](C)[C@@H]1C[C@@H](CC)CCC1=O ZINC000715758799 573296525 /nfs/dbraw/zinc/29/65/25/573296525.db2.gz SIRPJUNABOHSAD-SRVKXCTJSA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@H](C)[C@@H]1C[C@H](CC)CCC1=O ZINC000715758805 573296134 /nfs/dbraw/zinc/29/61/34/573296134.db2.gz SIRPJUNABOHSAD-TUAOUCFPSA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@H](C)C1=CC(=O)CC(C)(C)C1 ZINC000715760353 573299333 /nfs/dbraw/zinc/29/93/33/573299333.db2.gz YHBVTPXYLSFOQE-JTQLQIEISA-N 0 0 192.302 3.514 10 30 AHEERN C=CC[C@@H](C)C1=CC(=O)CC(C)(C)C1 ZINC000715760354 573302060 /nfs/dbraw/zinc/30/20/60/573302060.db2.gz YHBVTPXYLSFOQE-SNVBAGLBSA-N 0 0 192.302 3.514 10 30 AHEERN C=CC[C@@H](C)Cc1ccsc1 ZINC000715795569 573406432 /nfs/dbraw/zinc/40/64/32/573406432.db2.gz HXAAPBBEWCWOIV-SECBINFHSA-N 0 0 166.289 3.503 10 30 AHEERN C=CC[C@H](C)Cc1ccsc1 ZINC000715795570 573410113 /nfs/dbraw/zinc/41/01/13/573410113.db2.gz HXAAPBBEWCWOIV-VIFPVBQESA-N 0 0 166.289 3.503 10 30 AHEERN C=CC[C@@H](C)c1ccsc1C ZINC000715795575 573410593 /nfs/dbraw/zinc/41/05/93/573410593.db2.gz HYFYUBVTVFMEPN-MRVPVSSYSA-N 0 0 166.289 3.736 10 30 AHEERN C=CC[C@H](C)c1ccsc1C ZINC000715795577 573409383 /nfs/dbraw/zinc/40/93/83/573409383.db2.gz HYFYUBVTVFMEPN-QMMMGPOBSA-N 0 0 166.289 3.736 10 30 AHEERN C=CC[C@@H](C)C1(C#N)CCCCC1 ZINC000715799458 573415196 /nfs/dbraw/zinc/41/51/96/573415196.db2.gz NKZHCILZXKOAIL-LLVKDONJSA-N 0 0 177.291 3.673 10 30 AHEERN C=CC[C@H](C)C1(C#N)CCCCC1 ZINC000715799466 573418225 /nfs/dbraw/zinc/41/82/25/573418225.db2.gz NKZHCILZXKOAIL-NSHDSACASA-N 0 0 177.291 3.673 10 30 AHEERN C=CC[C@H](C)[C@]1(C#N)CCCC[C@H]1C ZINC000715800441 573415478 /nfs/dbraw/zinc/41/54/78/573415478.db2.gz SDBBIICGPNXLLC-YNEHKIRRSA-N 0 0 191.318 3.919 10 30 AHEERN C=CC[C@H](C)[C@]1(C#N)CCC[C@H]1C ZINC000715801757 573420717 /nfs/dbraw/zinc/42/07/17/573420717.db2.gz ZPKRVHXQRFMEGL-QJPTWQEYSA-N 0 0 177.291 3.529 10 30 AHEERN C=CC[C@H](C)[C@]1(C#N)CCC[C@@H]1C ZINC000715801760 573419059 /nfs/dbraw/zinc/41/90/59/573419059.db2.gz ZPKRVHXQRFMEGL-SDDRHHMPSA-N 0 0 177.291 3.529 10 30 AHEERN C=CC[C@H](C)[C@@]1(C#N)CCC[C@@H]1C ZINC000715801766 573419284 /nfs/dbraw/zinc/41/92/84/573419284.db2.gz ZPKRVHXQRFMEGL-SRVKXCTJSA-N 0 0 177.291 3.529 10 30 AHEERN C=CC[C@H](C)[C@@]1(C#N)CCC[C@H]1C ZINC000715801769 573419249 /nfs/dbraw/zinc/41/92/49/573419249.db2.gz ZPKRVHXQRFMEGL-TUAOUCFPSA-N 0 0 177.291 3.529 10 30 AHEERN C=CC[C@H](C)CCc1ccsc1 ZINC000715805212 573431299 /nfs/dbraw/zinc/43/12/99/573431299.db2.gz AENWBPJJBMABPP-JTQLQIEISA-N 0 0 180.316 3.893 10 30 AHEERN C=CC[C@@H](C)CCc1ccsc1 ZINC000715805213 573430512 /nfs/dbraw/zinc/43/05/12/573430512.db2.gz AENWBPJJBMABPP-SNVBAGLBSA-N 0 0 180.316 3.893 10 30 AHEERN C=CC[C@@H](C)Cc1cc(F)cc(F)c1 ZINC000715806868 573446447 /nfs/dbraw/zinc/44/64/47/573446447.db2.gz LQVLKGMMCPPZDA-SECBINFHSA-N 0 0 196.240 3.720 10 30 AHEERN C=CC[C@H](C)Cc1cc(F)cc(F)c1 ZINC000715806869 573447437 /nfs/dbraw/zinc/44/74/37/573447437.db2.gz LQVLKGMMCPPZDA-VIFPVBQESA-N 0 0 196.240 3.720 10 30 AHEERN C=CC[C@@H](C)c1c(F)ccc(C)c1F ZINC000715806890 573448631 /nfs/dbraw/zinc/44/86/31/573448631.db2.gz LYECBWVRVUCBFM-MRVPVSSYSA-N 0 0 196.240 3.953 10 30 AHEERN C=CC[C@H](C)c1c(F)ccc(C)c1F ZINC000715806891 573446546 /nfs/dbraw/zinc/44/65/46/573446546.db2.gz LYECBWVRVUCBFM-QMMMGPOBSA-N 0 0 196.240 3.953 10 30 AHEERN C=CC[C@H](C)[C@@]1(C=O)CCC[C@@H](C)C1 ZINC000715807651 573439897 /nfs/dbraw/zinc/43/98/97/573439897.db2.gz RBGHSFDYXHZQLE-AGIUHOORSA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@H](C)[C@@]1(C=O)CCC[C@H](C)C1 ZINC000715807652 573438083 /nfs/dbraw/zinc/43/80/83/573438083.db2.gz RBGHSFDYXHZQLE-AVGNSLFASA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@H](C)[C@]1(C=O)CCC[C@@H](C)C1 ZINC000715807656 573437671 /nfs/dbraw/zinc/43/76/71/573437671.db2.gz RBGHSFDYXHZQLE-FRRDWIJNSA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@H](C)[C@]1(C=O)CCC[C@H](C)C1 ZINC000715807659 573441700 /nfs/dbraw/zinc/44/17/00/573441700.db2.gz RBGHSFDYXHZQLE-RWMBFGLXSA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@H](C)c1ccccc1OCC ZINC000715808135 573446864 /nfs/dbraw/zinc/44/68/64/573446864.db2.gz RLGHTXJNSQOFNZ-NSHDSACASA-N 0 0 190.286 3.765 10 30 AHEERN C=CC[C@@H](C)Cc1ccc(F)cc1F ZINC000715808571 573450874 /nfs/dbraw/zinc/45/08/74/573450874.db2.gz VDKCIRSXMQTJCA-SECBINFHSA-N 0 0 196.240 3.720 10 30 AHEERN C=CC[C@H](C)Cc1ccc(F)cc1F ZINC000715808590 573454216 /nfs/dbraw/zinc/45/42/16/573454216.db2.gz VDKCIRSXMQTJCA-VIFPVBQESA-N 0 0 196.240 3.720 10 30 AHEERN C=CC[C@@H](C)Cc1cc(F)ccc1F ZINC000715808848 573454850 /nfs/dbraw/zinc/45/48/50/573454850.db2.gz YIOXMINFULCCQH-SECBINFHSA-N 0 0 196.240 3.720 10 30 AHEERN C=CC[C@H](C)Cc1cc(F)ccc1F ZINC000715808849 573454633 /nfs/dbraw/zinc/45/46/33/573454633.db2.gz YIOXMINFULCCQH-VIFPVBQESA-N 0 0 196.240 3.720 10 30 AHEERN C=CC[C@@H](C)Cc1csc(C)c1 ZINC000715808970 573454254 /nfs/dbraw/zinc/45/42/54/573454254.db2.gz ZRKBLLJWNCJDFS-SECBINFHSA-N 0 0 180.316 3.811 10 30 AHEERN C=CC[C@H](C)Cc1csc(C)c1 ZINC000715808978 573453398 /nfs/dbraw/zinc/45/33/98/573453398.db2.gz ZRKBLLJWNCJDFS-VIFPVBQESA-N 0 0 180.316 3.811 10 30 AHEERN C=CC[C@H](C)Cc1cc(F)ccc1C ZINC000715809039 573451589 /nfs/dbraw/zinc/45/15/89/573451589.db2.gz ZRPMSTOGECVARO-JTQLQIEISA-N 0 0 192.277 3.889 10 30 AHEERN C=CC[C@@H](C)Cc1cc(F)ccc1C ZINC000715809047 573452980 /nfs/dbraw/zinc/45/29/80/573452980.db2.gz ZRPMSTOGECVARO-SNVBAGLBSA-N 0 0 192.277 3.889 10 30 AHEERN C=CC[C@@H](C)c1ccc(COC)cc1 ZINC000715809086 573449691 /nfs/dbraw/zinc/44/96/91/573449691.db2.gz ZVCRMJAGMJUKCH-LLVKDONJSA-N 0 0 190.286 3.513 10 30 AHEERN C=CC[C@H](C)c1ccc(COC)cc1 ZINC000715809093 573451958 /nfs/dbraw/zinc/45/19/58/573451958.db2.gz ZVCRMJAGMJUKCH-NSHDSACASA-N 0 0 190.286 3.513 10 30 AHEERN C=CC[C@H](C)c1c(C)cc(C)cc1O ZINC000715810218 573463855 /nfs/dbraw/zinc/46/38/55/573463855.db2.gz BITVIXUDLPENFH-JTQLQIEISA-N 0 0 190.286 3.689 10 30 AHEERN C=CC[C@@H](C)c1c(C)cc(C)cc1O ZINC000715810221 573467010 /nfs/dbraw/zinc/46/70/10/573467010.db2.gz BITVIXUDLPENFH-SNVBAGLBSA-N 0 0 190.286 3.689 10 30 AHEERN C=CC[C@@H](C)c1ccc(C)c(C)c1O ZINC000715810492 573461618 /nfs/dbraw/zinc/46/16/18/573461618.db2.gz DHMAYYNIEJYYEN-SNVBAGLBSA-N 0 0 190.286 3.689 10 30 AHEERN C=CC[C@@H](C)c1ccc(C)c(F)c1O ZINC000715810895 573466972 /nfs/dbraw/zinc/46/69/72/573466972.db2.gz GCGABUIYMHRZEL-MRVPVSSYSA-N 0 0 194.249 3.519 10 30 AHEERN C=CC[C@H](C)c1ccc(C)c(F)c1O ZINC000715810899 573464746 /nfs/dbraw/zinc/46/47/46/573464746.db2.gz GCGABUIYMHRZEL-QMMMGPOBSA-N 0 0 194.249 3.519 10 30 AHEERN C=CC[C@@H](C)Cc1ccc(C)cc1 ZINC000715811016 573466648 /nfs/dbraw/zinc/46/66/48/573466648.db2.gz APBZQYFEJNHDEE-GFCCVEGCSA-N 0 0 174.287 3.750 10 30 AHEERN C=CC[C@H](C)Cc1ccc(C)cc1 ZINC000715811023 573462016 /nfs/dbraw/zinc/46/20/16/573462016.db2.gz APBZQYFEJNHDEE-LBPRGKRZSA-N 0 0 174.287 3.750 10 30 AHEERN C=CC[C@@H](C)c1cccc2ncccc21 ZINC000715813158 573471770 /nfs/dbraw/zinc/47/17/70/573471770.db2.gz JNKMKHIRJZRNKB-LLVKDONJSA-N 0 0 197.281 3.914 10 30 AHEERN C=CC[C@H](C)c1cccc2ncccc21 ZINC000715813161 573469796 /nfs/dbraw/zinc/46/97/96/573469796.db2.gz JNKMKHIRJZRNKB-NSHDSACASA-N 0 0 197.281 3.914 10 30 AHEERN C=CC[C@@H](C)c1cccc2cccnc21 ZINC000715813772 573463171 /nfs/dbraw/zinc/46/31/71/573463171.db2.gz LPLLIAIJRIYPAN-LLVKDONJSA-N 0 0 197.281 3.914 10 30 AHEERN C=CC[C@H](C)c1cccc2cccnc21 ZINC000715813777 573463942 /nfs/dbraw/zinc/46/39/42/573463942.db2.gz LPLLIAIJRIYPAN-NSHDSACASA-N 0 0 197.281 3.914 10 30 AHEERN C=CC[C@@H](C)c1ccccc1CC ZINC000715813780 573464624 /nfs/dbraw/zinc/46/46/24/573464624.db2.gz LSOGPZNNRXAEJZ-LLVKDONJSA-N 0 0 174.287 3.929 10 30 AHEERN C=CC[C@H](C)c1ccccc1CC ZINC000715813781 573467003 /nfs/dbraw/zinc/46/70/03/573467003.db2.gz LSOGPZNNRXAEJZ-NSHDSACASA-N 0 0 174.287 3.929 10 30 AHEERN C=CC[C@@H](C)c1cccc2cnccc21 ZINC000715815853 573467638 /nfs/dbraw/zinc/46/76/38/573467638.db2.gz TTZHJXOYNFNHFV-LLVKDONJSA-N 0 0 197.281 3.914 10 30 AHEERN C=CC[C@H](C)c1cccc2cnccc21 ZINC000715815856 573468190 /nfs/dbraw/zinc/46/81/90/573468190.db2.gz TTZHJXOYNFNHFV-NSHDSACASA-N 0 0 197.281 3.914 10 30 AHEERN C=CC[C@@H](C)Cc1nc(C)sc1C ZINC000715815949 573472044 /nfs/dbraw/zinc/47/20/44/573472044.db2.gz UFLUAZMUNVSCLC-MRVPVSSYSA-N 0 0 195.331 3.515 10 30 AHEERN C=CC[C@H](C)Cc1nc(C)sc1C ZINC000715815953 573470069 /nfs/dbraw/zinc/47/00/69/573470069.db2.gz UFLUAZMUNVSCLC-QMMMGPOBSA-N 0 0 195.331 3.515 10 30 AHEERN C#CCCCCC[C@H](C)CC=C ZINC000715815965 573469546 /nfs/dbraw/zinc/46/95/46/573469546.db2.gz UGEODBHWMZXHKD-GFCCVEGCSA-N 0 0 164.292 3.782 10 30 AHEERN C#CCCCCC[C@@H](C)CC=C ZINC000715815967 573472429 /nfs/dbraw/zinc/47/24/29/573472429.db2.gz UGEODBHWMZXHKD-LBPRGKRZSA-N 0 0 164.292 3.782 10 30 AHEERN C=CC[C@@H](C)c1ccc(C)c(F)c1 ZINC000715815974 573471543 /nfs/dbraw/zinc/47/15/43/573471543.db2.gz UGFAWGGOXLDOJK-SECBINFHSA-N 0 0 178.250 3.814 10 30 AHEERN C=CC[C@H](C)c1ccc(C)c(F)c1 ZINC000715815977 573469900 /nfs/dbraw/zinc/46/99/00/573469900.db2.gz UGFAWGGOXLDOJK-VIFPVBQESA-N 0 0 178.250 3.814 10 30 AHEERN C=CC[C@H](C)[C@]1(C=O)CC[C@@H](CC)C1 ZINC000715816114 573471827 /nfs/dbraw/zinc/47/18/27/573471827.db2.gz VGMASNGUHWZMLW-YNEHKIRRSA-N 0 0 194.318 3.594 10 30 AHEERN C=CC[C@@H](C)c1c(F)cc(C)cc1F ZINC000715825252 573475149 /nfs/dbraw/zinc/47/51/49/573475149.db2.gz AHDUOZMFEIYTCX-SECBINFHSA-N 0 0 196.240 3.953 10 30 AHEERN C=CC[C@H](C)c1c(F)cc(C)cc1F ZINC000715825256 573474083 /nfs/dbraw/zinc/47/40/83/573474083.db2.gz AHDUOZMFEIYTCX-VIFPVBQESA-N 0 0 196.240 3.953 10 30 AHEERN CCC(=CC(=O)c1cc(C)co1)CC ZINC000716116640 573713009 /nfs/dbraw/zinc/71/30/09/573713009.db2.gz UZABICINDJFRTI-UHFFFAOYSA-N 0 0 192.258 3.517 10 30 AHEERN C=C(CC)C[C@@H]1CCC(C)(C)C[C@@H]1O ZINC000717454042 573490079 /nfs/dbraw/zinc/49/00/79/573490079.db2.gz JEUHGVHEWDRWCC-RYUDHWBXSA-N 0 0 196.334 3.530 10 30 AHEERN C=C(CC)C[C@H]1CCC(C)(C)C[C@H]1O ZINC000717454044 573491714 /nfs/dbraw/zinc/49/17/14/573491714.db2.gz JEUHGVHEWDRWCC-VXGBXAGGSA-N 0 0 196.334 3.530 10 30 AHEERN C/C=C1\C[C@H](C(C)(C)CC)CCC1=O ZINC000725246522 537895523 /nfs/dbraw/zinc/89/55/23/537895523.db2.gz XQGDPXYMHGZEEU-IGLBNKAOSA-N 0 0 194.318 3.738 10 30 AHEERN C/C=C1\C[C@@H](C(C)(C)CC)CCC1=O ZINC000725246526 537897754 /nfs/dbraw/zinc/89/77/54/537897754.db2.gz XQGDPXYMHGZEEU-UAWPZABVSA-N 0 0 194.318 3.738 10 30 AHEERN SC1CC(c2ccc(Cl)cc2)C1 ZINC000757159812 582942697 /nfs/dbraw/zinc/94/26/97/582942697.db2.gz HUIQEMQGWGIIIU-UHFFFAOYSA-N 0 0 198.718 3.516 10 30 AHEERN SCc1c(Cl)oc2ccccc21 ZINC000757160255 582468051 /nfs/dbraw/zinc/46/80/51/582468051.db2.gz NCNRFBIBCYRRTC-UHFFFAOYSA-N 0 0 198.674 3.516 10 30 AHEERN C[C@H](S)CC(C)(C)c1ccccc1 ZINC000757162376 582946486 /nfs/dbraw/zinc/94/64/86/582946486.db2.gz GMFJCBYARMCXIK-JTQLQIEISA-N 0 0 194.343 3.673 10 30 AHEERN C[C@@H](S)CC(C)(C)c1ccccc1 ZINC000757162380 582947528 /nfs/dbraw/zinc/94/75/28/582947528.db2.gz GMFJCBYARMCXIK-SNVBAGLBSA-N 0 0 194.343 3.673 10 30 AHEERN C[C@@H](S)c1cc2c(s1)CCCC2 ZINC000757162481 582468378 /nfs/dbraw/zinc/46/83/78/582468378.db2.gz FCFLAJNAOWRIAY-SSDOTTSWSA-N 0 0 198.356 3.618 10 30 AHEERN C[C@H](S)c1cc2c(s1)CCCC2 ZINC000757162482 582468624 /nfs/dbraw/zinc/46/86/24/582468624.db2.gz FCFLAJNAOWRIAY-ZETCQYMHSA-N 0 0 198.356 3.618 10 30 AHEERN SC1CC(c2ccccc2Cl)C1 ZINC000757163064 582469161 /nfs/dbraw/zinc/46/91/61/582469161.db2.gz KIEZDTPEBWDHJU-UHFFFAOYSA-N 0 0 198.718 3.516 10 30 AHEERN SC1CC(c2cccc(Cl)c2)C1 ZINC000757163204 582468993 /nfs/dbraw/zinc/46/89/93/582468993.db2.gz LWSBSNYSQWYRHO-UHFFFAOYSA-N 0 0 198.718 3.516 10 30 AHEERN Cc1c2ccccc2oc1[C@@H](C)S ZINC000757163299 582468215 /nfs/dbraw/zinc/46/82/15/582468215.db2.gz NOPRIRVZOJPACM-MRVPVSSYSA-N 0 0 192.283 3.732 10 30 AHEERN Cc1c2ccccc2oc1[C@H](C)S ZINC000757163303 582468515 /nfs/dbraw/zinc/46/85/15/582468515.db2.gz NOPRIRVZOJPACM-QMMMGPOBSA-N 0 0 192.283 3.732 10 30 AHEERN CCCC[C@@H](S)c1ccc(F)cc1 ZINC000757164140 582468813 /nfs/dbraw/zinc/46/88/13/582468813.db2.gz YGMPTISKVMSIAQ-LLVKDONJSA-N 0 0 198.306 3.987 10 30 AHEERN CCCC[C@H](S)c1ccc(F)cc1 ZINC000757164145 582468999 /nfs/dbraw/zinc/46/89/99/582468999.db2.gz YGMPTISKVMSIAQ-NSHDSACASA-N 0 0 198.306 3.987 10 30 AHEERN S[C@H](c1cccs1)C1CCCC1 ZINC000757166259 582469409 /nfs/dbraw/zinc/46/94/09/582469409.db2.gz RLAKCERBBYNXTK-JTQLQIEISA-N 0 0 198.356 3.909 10 30 AHEERN S[C@@H](c1cccs1)C1CCCC1 ZINC000757166263 582469780 /nfs/dbraw/zinc/46/97/80/582469780.db2.gz RLAKCERBBYNXTK-SNVBAGLBSA-N 0 0 198.356 3.909 10 30 AHEERN CC1(C)CCc2ccccc2[C@H]1S ZINC000757166357 582469363 /nfs/dbraw/zinc/46/93/63/582469363.db2.gz TUHVFXCITLSFKZ-LLVKDONJSA-N 0 0 192.327 3.630 10 30 AHEERN CC1(C)CCc2ccccc2[C@@H]1S ZINC000757166361 582469500 /nfs/dbraw/zinc/46/95/00/582469500.db2.gz TUHVFXCITLSFKZ-NSHDSACASA-N 0 0 192.327 3.630 10 30 AHEERN