0 B11R0.180 C#CCC(C)OCCC(C)(C)C 41e4240447545184ce2ca29c5b764294 [0,0,0,0,0,0|3,0,1]=4 1 B11R0.180 C#CCC(C)OCCC(C)(C)O ee016b9e672d0caad3a77467d69fcf41 [0,0,0,0,0,0|2,0,1]=3 2 B11R0.180 C#CCN(C)CCCC(C)(C)O bd6908687bab650901f722b41f5ef406 [0,0,0,0,0,0|2,0,1]=3 3 B11R0.180 C/C=C/C(C)OCCC(C)(C)C d69874c12bf7b964da7b727d7240679d [0,0,0,0,0,0|3,0,1]=4 4 B11R0.180 C/C=C/C(C)OCCC(C)(C)O 70bd411a9e59214fdd22e33ceaa03f93 [0,0,0,0,0,0|2,0,1]=3 5 B11R0.180 C=CCC(=O)NCCC(C)(C)O e4b6d8ac53b8863dfc1d5ed24411c323 [0,0,0,0,0,0|3,0,1]=4 6 B11R0.180 C=CCC(C)CNCC(C)(C)C 38b766313b8d8795ba4512ec757c8268 [0,0,0,0,0,0|3,0,0]=3 7 B11R0.180 C=CCC(C)CNCC(C)(C)O b933e9fa9fbe8162313563beeb33b8ba [0,0,0,0,0,0|2,0,0]=2 8 B11R0.180 C=CCC(C)CNCC(C)(F)F bfe4517a8ad3eb1c7f159776be0d0286 [0,0,0,0,0,0|4,0,0]=4 9 B11R0.180 C=CCC(C)COCC(C)(C)Br f118e6836ac432fbe45874ea320b147c [0,0,0,0,0,0|3,0,0]=3 10 B11R0.180 C=CCC(C)COCC(C)(C)C 608b7f11deb6f5c5f2ba85f964d4c056 [0,0,0,0,0,0|3,0,0]=3 11 B11R0.180 C=CCC(C)COCC(C)(C)F 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[0,0,0,0,0,0|4,0,0]=4 23 B11R0.180 C=CCN(C)CCOC(C)(C)C 9f472c3830139d6da7153276c9750f22 [0,0,0,0,0,0|4,0,0]=4 24 B11R0.180 C=CCN(C)CCSC(C)(C)C 57a5cbe27edadbc20d7cd39443407edf [0,0,0,0,0,0|4,0,0]=4 25 B11R0.180 C=CC[C@@H](C)OCCC(C)(C)C 22128fb3aa494c7dd687e7dfff677d61 [0,0,0,0,0,0|3,0,0]=3 26 B11R0.180 C=CC[C@@H](C)OCCC(C)(C)O f436611342d20e40aae6209a61af84db [0,0,0,0,0,0|2,0,0]=2 27 B11R0.180 C=CC[C@@H](C)OCCC(C)(F)F 26993eaf544f0fc96d0913ce630e6844 [0,0,0,0,0,0|4,0,0]=4 28 B11R0.180 C=CC[C@H](C)OCCC(C)(C)C 14248e4a499415738cced28cfa4cc49c [0,0,0,0,0,0|3,0,0]=3 29 B11R0.180 C=CC[C@H](C)OCCC(C)(C)O 6b33294e732eee391571651989a59ba3 [0,0,0,0,0,0|2,0,0]=2 30 B11R0.180 C=CC[C@H](C)OCCC(C)(F)F 4c95245baf2a11007563f218f6925363 [0,0,0,0,0,0|4,0,0]=4 31 B11R0.180 CC#CC(C)OCCC(C)(C)O 690d8fe15fe27057156612a87843ac17 [0,0,0,0,0,0|2,0,2]=4 32 B11R0.180 CC(C)(C)CCNC(=O)CC=O 83366119e32d180ea87623c20cd153cb [0,0,0,0,0,0|3,0,1]=4 33 B11R0.180 CC(C)(F)CCNC(=O)CC=O 6f1962c5b0caa0b6f79be010c45ed3a7 [0,0,0,0,0,0|3,0,1]=4 34 B11R0.180 CC(C)(O)CCNC(=O)CC=O 9929ecbc049bff007573830cf95c5c5e [0,0,0,0,0,0|2,0,1]=3 35 B11R0.180 CC(C)(O)CNCC(O)CC#N e67dba35c7beda3a901ff660033aa4cb [0,0,0,0,0,0|3,0,1]=4 36 B11R0.180 CC(C)(O)CNC[C@@H](O)CC#N ab2983b11f12fd91ea7843ac6587ea20 [0,0,0,0,0,0|3,0,1]=4 37 B11R0.180 CC(C)(O)CNC[C@@H](O)CCO 4c0f3e668e43055149e1f32786b4ef67 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.180 CC(C)(O)CNC[C@H](O)CC#N c4176159294b41b416ceb5e94e56f4ca [0,0,0,0,0,0|3,0,1]=4 39 B11R0.180 CC(CC#N)NCCC(C)(C)C a07a6c92c70ca3de0b72427569acb395 [0,0,0,0,0,0|3,0,1]=4 40 B11R0.180 CC(CC#N)NCCC(C)(C)F 2d1354a20ecc3f08fec3116e5409ae12 [0,0,0,0,0,0|3,0,1]=4 41 B11R0.180 CC(CC#N)NCCC(C)(C)O 21463a81aea998255718d64e4970cbb4 [0,0,0,0,0,0|2,0,1]=3 42 B11R0.180 CC(CC#N)OCCC(C)(C)C 7a044dab2cef3e5c34a5acdf06a58d53 [0,0,0,0,0,0|3,0,1]=4 43 B11R0.180 CC(CC#N)OCCC(C)(C)O f039256c9ea49c75eff3d111bc8f41aa [0,0,0,0,0,0|2,0,1]=3 44 B11R0.180 CC(CC#N)OCCC(C)(C)S 727e4f2921114daa694c53e3b883bf9a [0,0,0,0,0,0|2,1,1]=4 45 B11R0.180 CC(CCO)CNCC(C)(C)C 178069a0814f9776106b8c3c746d91f3 [0,0,0,0,0,0|2,0,2]=4 46 B11R0.180 CC(CCO)CNCC(C)(C)F 87084a9279a35b1761ab00370a0fc399 [0,0,0,0,0,0|2,0,2]=4 47 B11R0.180 CC(CCO)CNCC(C)(C)O eb0385299571b120b03929b31215d85e [0,0,0,0,0,0|1,0,2]=3 48 B11R0.180 CC(CCO)NCCC(C)(C)C 16879c3ff02afdb994f80b05c7d716d1 [0,0,0,0,0,0|2,0,2]=4 49 B11R0.180 CC(CCO)NCCC(C)(C)F bf0a52d129661ed5a922d2b99d37c05a [0,0,0,0,0,0|2,0,2]=4 50 B11R0.180 CC(CCO)NCCC(C)(C)O 80154548c0e1f198e024eddfd1f4692f [0,0,0,0,0,0|1,0,2]=3 51 B11R0.180 CC=CC(C)OCCC(C)(C)C 9e8adaa0f7637886e413876435ccd06d [0,0,0,0,0,0|3,0,1]=4 52 B11R0.180 CC=CC(C)OCCC(C)(C)O 56a6cc6d945bc4cee3181da13a8fcbd5 [0,0,0,0,0,0|2,0,1]=3 53 B11R0.180 CCCC(C)CNCC(C)(C)C 55bef8c43518893db66efdbddcfacf80 [0,0,0,0,0,0|3,0,1]=4 54 B11R0.180 CCCC(C)CNCC(C)(C)O 279e6c6bc4520dd767ff13967c16c805 [0,0,0,0,0,0|2,0,1]=3 55 B11R0.180 CCCC(C)COCC(C)(C)Br 01d542d333b23cf26cd43d692aa06274 [0,0,0,0,0,0|3,0,1]=4 56 B11R0.180 CCCC(C)COCC(C)(C)C dc9802ce6ecbb2833d766f87a65d41f2 [0,0,0,0,0,0|3,0,1]=4 57 B11R0.180 CCCC(C)COCC(C)(C)F d9edeef857bc0427a5cf304a671c8faa [0,0,0,0,0,0|3,0,1]=4 58 B11R0.180 CCCC(C)COCC(C)(C)O 53c40f5f238740e09e0ff74bcdcd4d7a [0,0,0,0,0,0|2,0,1]=3 59 B11R0.180 CCCC(C)COCC(C)(C)S 85bcc5728722dfc9d27e57aa36752265 [0,0,0,0,0,0|2,1,1]=4 60 B11R0.180 CCCC(C)NCCC(C)(C)C c5bd06fbda16546453c695063fc34359 [0,0,0,0,0,0|3,0,1]=4 61 B11R0.180 CCCC(C)NCCC(C)(C)F 79963c71cd7cbf33b5a4f70f5bb7cd19 [0,0,0,0,0,0|3,0,1]=4 62 B11R0.180 CCCC(C)NCCC(C)(C)O db8c3ee60a5c6e4832921a58c96bd0ce [0,0,0,0,0,0|2,0,1]=3 63 B11R0.180 CCCC(C)OCCC(C)(C)C af7451902675e96d579f9406eace46c0 [0,0,0,0,0,0|3,0,1]=4 64 B11R0.180 CCCC(C)OCCC(C)(C)O 2985c0218e2b392adca0db20cf05a654 [0,0,0,0,0,0|2,0,1]=3 65 B11R0.180 CCCC(C)OCCC(C)(C)S 1fed4ee44d05bfe99a6ed496832189e4 [0,0,0,0,0,0|2,1,1]=4 66 B11R0.180 CCCC(O)CNCC(C)(C)O d3bad4f467c45f3593b6d57c4f99a9b3 [0,0,0,0,0,0|3,0,1]=4 67 B11R0.180 CCCN(C)CCCC(C)(C)O 8cd3b935f96c9a7cdd76c420094666a4 [0,0,0,0,0,0|2,0,1]=3 68 B11R0.180 CCC[C@@H](C)OCCC(C)(C)C 3ad15d2e4be370e9249be3f9c36a7bcf [0,0,0,0,0,0|3,0,1]=4 69 B11R0.180 CCC[C@@H](C)OCCC(C)(C)O 097a566f8d8a9dd0066e5e16e36f6ce0 [0,0,0,0,0,0|2,0,1]=3 70 B11R0.180 CCC[C@H](C)NCCC(C)(C)C f3329478bfc0377f3e99cb797a50ba4b [0,0,0,0,0,0|3,0,1]=4 71 B11R0.180 CCC[C@H](C)NCCC(C)(C)O 352e383a71878573bc65beed819dd183 [0,0,0,0,0,0|2,0,1]=3 72 B11R0.180 CCC[C@H](C)OCCC(C)(C)C 1048f6d8b80be23c0e9132f64ffd35a4 [0,0,0,0,0,0|3,0,1]=4 73 B11R0.180 CCC[C@H](C)OCCC(C)(C)O 8db8d03e21fa159d8e4fd69e9f6b581a [0,0,0,0,0,0|2,0,1]=3 74 B11R0.180 CCOC(C)CNCC(C)(C)O 8c858d7f4f403635ad4db94ae631b2ad [0,0,0,0,0,0|3,0,1]=4 75 B11R0.180 CCOC(C)COCC(C)(C)O 43e020dd14f44847e35ab9c8c4fc4e0d [0,0,0,0,0,0|3,0,1]=4 76 B11R0.180 CN(CC#N)CCCC(C)(C)O 03143329964b615686424ce0eb3ef014 [0,0,0,0,0,0|2,0,1]=3 77 B11R0.180 CN(CC=O)CCCC(F)(F)F 711c31d2c3093758d4ba460e1dba8afc [0,0,0,0,0,0|4,0,0]=4 78 B11R0.180 CN(CCF)CCCC(C)(C)O 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[0,0,0,0,0,0|4,0,0]=4 90 B11R0.180 COC[C@@H](C)NCCC(C)(C)O 0289cd96bf83a7882776f103a2a059c2 [0,0,0,0,0,0|3,0,0]=3 91 B11R0.180 COC[C@@H](C)OCCC(C)(C)C 13dac006caf4447653584dc823a74a18 [0,0,0,0,0,0|4,0,0]=4 92 B11R0.180 COC[C@@H](C)OCCC(C)(C)O 6674e26ac6d66103969841380ccd9b37 [0,0,0,0,0,0|3,0,0]=3 93 B11R0.180 COC[C@@H](O)CNCC(C)(C)O fe209c5b60ce00e84aec69d567c1a075 [0,0,0,0,0,0|4,0,0]=4 94 B11R0.180 COC[C@H](C)COCC(C)(C)C 7253449899cd2ce6040b3f2430d033f9 [0,0,0,0,0,0|4,0,0]=4 95 B11R0.180 COC[C@H](C)COCC(C)(C)F d8adc78524ede0c5e31cfa79d499eb68 [0,0,0,0,0,0|4,0,0]=4 96 B11R0.180 COC[C@H](C)NCCC(C)(C)C 5fdf5bca6e8bea91d8f988f890416f5a [0,0,0,0,0,0|4,0,0]=4 97 B11R0.180 COC[C@H](C)NCCC(C)(C)O c671f964c95a49bc3cb38e0e861a1fac [0,0,0,0,0,0|3,0,0]=3 98 B11R0.180 COC[C@H](C)OCCC(C)(C)C afd1bcebdf97aecf1f41863945032fec [0,0,0,0,0,0|4,0,0]=4 99 B11R0.180 COC[C@H](C)OCCC(C)(C)O b2933516bea7844b725f32ba09daba21 [0,0,0,0,0,0|3,0,0]=3 100 B11R0.180 CSCC(C)OCCC(C)(C)C 426fe4adee1edc53f2240a5f8c53a65d [0,0,0,0,0,0|4,0,0]=4 101 B11R0.180 CSCC(C)OCCC(C)(C)O 39056e25bd2fbf3df57c14cb5a4b00aa [0,0,0,0,0,0|3,0,0]=3 102 B11R0.180 C[C@@H](CC#N)OCCC(C)(C)C 345674714a38ee2d4b5b6333d8b70508 [0,0,0,0,0,0|3,0,1]=4 103 B11R0.180 C[C@@H](CC#N)OCCC(C)(C)O 456043100edf4f61313916a3308f8925 [0,0,0,0,0,0|2,0,1]=3 104 B11R0.180 C[C@@H](CCO)NCCC(C)(C)C fc21f06eb07b281777888b72fe9da13e [0,0,0,0,0,0|2,0,2]=4 105 B11R0.180 C[C@@H](CCO)NCCC(C)(C)O 07cb550d848fa844971560b3b9f7d569 [0,0,0,0,0,0|1,0,2]=3 106 B11R0.180 C[C@H](CC#N)OCCC(C)(C)C 37c97b56e91dc39e61457132b329cc2a [0,0,0,0,0,0|3,0,1]=4 107 B11R0.180 C[C@H](CC#N)OCCC(C)(C)O 905a463d8973afaa717c6997e38fc70b [0,0,0,0,0,0|2,0,1]=3 108 B11R0.180 C[C@H](CCO)NCCC(C)(C)C 5037f266ce1fd7794e3e240449e4c4eb [0,0,0,0,0,0|2,0,2]=4 109 B11R0.180 C[C@H](CCO)NCCC(C)(C)O 90a8fcb572a903d88cf0cf35418e09f3 [0,0,0,0,0,0|1,0,2]=3 110 B10R0.3 C#CCC(C)OCCC(C)C 65481b4fec564246992d08e2d23c66ff [1,0,0,0,0,0|2,0,1]=4 111 B10R0.3 C#CCN(C)CCCC(C)C a3150b2294113d2ead5c7171edf5ba4c [1,0,0,0,0,0|2,0,1]=4 112 B10R0.3 C#CCN(C)CCCC(C)O 18a432761e9280b0deb770da136156c0 [1,0,0,0,0,0|2,0,1]=4 113 B10R0.3 C/C=C/C(C)OCCC(C)C 814f66a1f35f309b65701fba795172c1 [1,0,0,0,0,0|2,0,1]=4 114 B10R0.3 C=CCC(C)CNCC(C)C 1d9dc8d8b0cfa23d71643e5c0a1f8515 [1,0,0,0,0,0|2,0,0]=3 115 B10R0.3 C=CCC(C)CNCC(C)O 3ae0f21ee19e7d128c12fd705de6ef25 [1,0,0,0,0,0|2,0,0]=3 116 B10R0.3 C=CCC(C)CNC[C@@H](C)O 5427e322888ca0d2a7f9d20b14e5583c [1,0,0,0,0,0|2,0,0]=3 117 B10R0.3 C=CCC(C)CNC[C@H](C)O ff8ed138bb9bbb240c6a9da5cd4ae22e [1,0,0,0,0,0|2,0,0]=3 118 B10R0.3 C=CCC(C)COCC(C)C 9a25abfc68af863beab5afc7470f20af [1,0,0,0,0,0|2,0,0]=3 119 B10R0.3 C=CCC(C)COCC(C)F e895d63c32132b8c47ab96a87392953a [1,0,0,0,0,0|3,0,0]=4 120 B10R0.3 C=CCC(C)COCC(C)S 7cd7fc1d413dca47cc02b27b1e4de013 [1,0,0,0,0,0|2,1,0]=4 121 B10R0.3 C=CCC(C)COCN(C)C a1c28fb3e226e9cf42bf58d1d10c35b7 [1,0,0,0,0,0|3,0,0]=4 122 B10R0.3 C=CCC(C)COC[C@@H](C)F 31926ca86f0c24ce9244c21f22684204 [1,0,0,0,0,0|3,0,0]=4 123 B10R0.3 C=CCC(C)COC[C@H](C)F fe0c2285b07e3ae51bcfcff925314665 [1,0,0,0,0,0|3,0,0]=4 124 B10R0.3 C=CCC(C)OCCC(C)C 9ee873f55303f966a43d8e4a05ee5fd9 [1,0,0,0,0,0|2,0,0]=3 125 B10R0.3 C=CCC(C)OCCN(C)C 43cbc71315a0d5fb3789ba1223e75863 [1,0,0,0,0,0|3,0,0]=4 126 B10R0.3 C=CCC(C)OCOC(C)C b1e134de96eec17012d5e2e9dc496389 [1,0,0,0,0,0|3,0,0]=4 127 B10R0.3 C=CCC(O)CNCC(C)C 231f43b36bfc1821d558f901a66cf38b [1,0,0,0,0,0|3,0,0]=4 128 B10R0.3 C=CCC(O)CNCC(C)O dc5235f1bfe3c5969935e83ca29dc918 [1,0,0,0,0,0|3,0,0]=4 129 B10R0.3 C=CCC(O)CNC[C@@H](C)O 765f302be08d5923db84163127d18e89 [1,0,0,0,0,0|3,0,0]=4 130 B10R0.3 C=CCC(O)CNC[C@H](C)O d7b49f4b6e2752e5d585a5a693f6e092 [1,0,0,0,0,0|3,0,0]=4 131 B10R0.3 C=CCN(C)CCCC(C)C 51708d1e485d557153ed37eebb83184a [1,0,0,0,0,0|2,0,0]=3 132 B10R0.3 C=CCN(C)CCCC(C)O 5f1381520c0b1d66b2eeccf1d441b4d0 [1,0,0,0,0,0|2,0,0]=3 133 B10R0.3 C=CCN(C)CCCN(C)C ee24a2258c7b2412640811f34e97c104 [1,0,0,0,0,0|3,0,0]=4 134 B10R0.3 C=CCN(C)CCOC(C)C 2b75bb5af824d9e155417618d0d4b31e [1,0,0,0,0,0|3,0,0]=4 135 B10R0.3 C=CCN(C)CCSC(C)C 5b68a6b02fae6ba4b448ede83a70c138 [1,0,0,0,0,0|3,0,0]=4 136 B10R0.3 C=CC[C@@H](C)OCCC(C)C fba4a1ecc614a042e02925a2555877dc [1,0,0,0,0,0|2,0,0]=3 137 B10R0.3 C=CC[C@@H](C)OCCN(C)C cc1245523e2700805d9fc74d4eb56bfe [1,0,0,0,0,0|3,0,0]=4 138 B10R0.3 C=CC[C@@H](C)OCOC(C)C 8a96d83a4bb6fc6f4bf5f64721e77211 [1,0,0,0,0,0|3,0,0]=4 139 B10R0.3 C=CC[C@H](C)OCCC(C)C 3dc39999ad8390dd9182c6fbbe00937f [1,0,0,0,0,0|2,0,0]=3 140 B10R0.3 C=CC[C@H](C)OCCN(C)C 9eba41a22fb87eef788649563d5332d0 [1,0,0,0,0,0|3,0,0]=4 141 B10R0.3 C=CC[C@H](C)OCOC(C)C 37a6ba8f9da0cffcff3aad0b145bf3f4 [1,0,0,0,0,0|3,0,0]=4 142 B10R0.3 CC(C)CCCC(C)NC=O 3c6ae667d6b41269893ae0d61baa53fc [1,0,0,0,0,0|1,0,0]=2 143 B10R0.3 CC(C)CCCC(C)NCF 6d0d1659d52dd6e960bad57900b6a080 [1,0,0,0,0,0|2,0,1]=4 144 B10R0.3 CC(C)CCCC(C)NCO 7bc62d38e6f366054e3df3562a03c063 [1,0,0,0,0,0|1,0,2]=4 145 B10R0.3 CC(C)CCCC(C)OCF 9852974c9b978a07bbdab6bfae8b40ae [1,0,0,0,0,0|2,0,1]=4 146 B10R0.3 CC(C)CCCN(C)CC#N 10b9331c7d97e093069159256acd79cf [1,0,0,0,0,0|2,0,1]=4 147 B10R0.3 CC(C)CCCN(C)CCF 4821b3accb85d821b8b0d18fdc57d7aa [1,0,0,0,0,0|2,0,1]=4 148 B10R0.3 CC(C)CCCN(C)CCO a0830bbdc2d13028e34c1d6b86355bef [1,0,0,0,0,0|1,0,2]=4 149 B10R0.3 CC(C)CCNC(=O)CC=O 5286e9590427522535ef34c7a3723f4c [1,0,0,0,0,0|2,0,1]=4 150 B10R0.3 CC(C)CCNC(C)CC#N 4687640624bfe3d57cfe9b259c3f587a [1,0,0,0,0,0|2,0,1]=4 151 B10R0.3 CC(C)CCNC(C)CCO 607acfb1c4743880075fb8b717c1fa1b [1,0,0,0,0,0|1,0,2]=4 152 B10R0.3 CC(C)CCN[C@@H](C)CCO 01b05c5122b83399acfe164a76bae5c8 [1,0,0,0,0,0|1,0,2]=4 153 B10R0.3 CC(C)CCN[C@H](C)CCO 23454c71b8b1c74ea03f2e01e34c9eb0 [1,0,0,0,0,0|1,0,2]=4 154 B10R0.3 CC(C)CCOC(C)CC#N 930094a1886741c772dc96152d5951f4 [1,0,0,0,0,0|2,0,1]=4 155 B10R0.3 CC(C)CCO[C@@H](C)CC#N cbb7797f9550ff419a5e2789cbe0e012 [1,0,0,0,0,0|2,0,1]=4 156 B10R0.3 CC(C)CCO[C@H](C)CC#N 488e3a81417be384cab2f25e595318a4 [1,0,0,0,0,0|2,0,1]=4 157 B10R0.3 CC(C)CNCC(C)CCO 4bfe0eaa768f58aee74f96554f7eb455 [1,0,0,0,0,0|1,0,2]=4 158 B10R0.3 CC(C)OCCN(C)CC=O 6a2bad2eb773d85b774cae9ba09581f4 [1,0,0,0,0,0|2,0,0]=3 159 B10R0.3 CC(CC#N)NCC[C@@H](C)O 9be4514177eb2e3dd48d935ceebc52f4 [1,0,0,0,0,0|2,0,1]=4 160 B10R0.3 CC(CC#N)NCC[C@H](C)O 799ece4294d5d8ce3b0d5c3d3203bd54 [1,0,0,0,0,0|2,0,1]=4 161 B10R0.3 CC(CCO)CNC[C@@H](C)O b8724b6bd61c90cc515a19a80cd3ed23 [1,0,0,0,0,0|1,0,2]=4 162 B10R0.3 CC(CCO)CNC[C@H](C)O f191ba64fa46e9f585b8bd3fe609cbd6 [1,0,0,0,0,0|1,0,2]=4 163 B10R0.3 CC(CCO)NCC[C@@H](C)O 70408176494c53c415fb08cbb05c7c3e [1,0,0,0,0,0|1,0,2]=4 164 B10R0.3 CC(CCO)NCC[C@H](C)O 8510faab432a2622d36a412b868e5df0 [1,0,0,0,0,0|1,0,2]=4 165 B10R0.3 CC(O)CCCN(C)CC#N 518daf73f6962eba882131fb9e4b2ef3 [1,0,0,0,0,0|2,0,1]=4 166 B10R0.3 CC(O)CCCN(C)CCF b3d5347290dcb9ce54bb19e978f3fca1 [1,0,0,0,0,0|2,0,1]=4 167 B10R0.3 CC(O)CCCN(C)CCO 83ade1b93a4cf079a09e453a3cc5b8ff [1,0,0,0,0,0|1,0,2]=4 168 B10R0.3 CC(O)CCNC(=O)CC=O fc9505a631155cd0caca8495ad45b0f2 [1,0,0,0,0,0|2,0,1]=4 169 B10R0.3 CC(O)CCNC(C)CC#N 889e3d9d51e89970da87eee31acf8891 [1,0,0,0,0,0|2,0,1]=4 170 B10R0.3 CC(O)CCNC(C)CCO d4e4a3dc8fdefc9e86d4b36ae037cbb6 [1,0,0,0,0,0|1,0,2]=4 171 B10R0.3 CC(O)CCN[C@@H](C)CCO e95767bba91852eed0b7181b14865293 [1,0,0,0,0,0|1,0,2]=4 172 B10R0.3 CC(O)CCN[C@H](C)CCO ec881f2699fcd9d6dd972bec3300053e [1,0,0,0,0,0|1,0,2]=4 173 B10R0.3 CC(O)CNCC(C)CCO 42c62bbcd791db7b7417acfef23bb1c2 [1,0,0,0,0,0|1,0,2]=4 174 B10R0.3 CC=CC(C)OCCC(C)C dd029d0cb87e2d6cbe35f09a0b4eadc9 [1,0,0,0,0,0|2,0,1]=4 175 B10R0.3 CCCC(C)CCOC(C)C 4ffc3b4b26a14d322e9d9a5b1e9b3cf2 [1,0,0,0,0,0|2,0,1]=4 176 B10R0.3 CCCC(C)CNCC(C)C de8febd07facfc6332d380291e8161bf [1,0,0,0,0,0|2,0,1]=4 177 B10R0.3 CCCC(C)CNCC(C)O 1185b2a8636321e34262b3a33c5278a2 [1,0,0,0,0,0|2,0,1]=4 178 B10R0.3 CCCC(C)CNC[C@@H](C)O 159f6b788c84a4ebb0276c80ab93b9f6 [1,0,0,0,0,0|2,0,1]=4 179 B10R0.3 CCCC(C)CNC[C@H](C)O 4bbbbe30e7f777af7b0c20a9e927e013 [1,0,0,0,0,0|2,0,1]=4 180 B10R0.3 CCCC(C)COCC(C)C b38c1d34dfb65389652b0187abf1825d [1,0,0,0,0,0|2,0,1]=4 181 B10R0.3 CCCC(C)NCCC(C)C 9cb3778929cdd14b4d65d99e643cfb88 [1,0,0,0,0,0|2,0,1]=4 182 B10R0.3 CCCC(C)NCCC(C)O b9ae6e6bb30d9b793443a7c789bc7806 [1,0,0,0,0,0|2,0,1]=4 183 B10R0.3 CCCC(C)NCC[C@@H](C)O 884a24d7d7f17a05787a88a4608c1b73 [1,0,0,0,0,0|2,0,1]=4 184 B10R0.3 CCCC(C)NCC[C@H](C)O 50b9a53fc6bd281bc66bfa40dede3046 [1,0,0,0,0,0|2,0,1]=4 185 B10R0.3 CCCC(C)OCCC(C)C 7f3c68a50dd56409c35aac3a2135109c [1,0,0,0,0,0|2,0,1]=4 186 B10R0.3 CCCN(C)CCCC(C)C 231f713b6c52f6022e12909a8f96d55f [1,0,0,0,0,0|2,0,1]=4 187 B10R0.3 CCCN(C)CCCC(C)O bcb8921018679fc023b0f411f18b9d7c [1,0,0,0,0,0|2,0,1]=4 188 B10R0.3 CCC[C@@H](C)OCCC(C)C b998b137f877d71ecbf36c6f61cda26a [1,0,0,0,0,0|2,0,1]=4 189 B10R0.3 CCC[C@H](C)NCCC(C)C 811a3497b83b2a1e395001a2f8cc5788 [1,0,0,0,0,0|2,0,1]=4 190 B10R0.3 CCC[C@H](C)NCCC(C)O 35714d43a387d179596c938a096248ec [1,0,0,0,0,0|2,0,1]=4 191 B10R0.3 CCC[C@H](C)OCCC(C)C 0b07aece7c8562a164231f84e6c3b8ce [1,0,0,0,0,0|2,0,1]=4 192 B10R0.3 CCNC(C)CCCC(C)C 97573178a0d82ef3e5c895d4003d4aeb [1,0,0,0,0,0|2,0,1]=4 193 B10R0.3 CCOC(C)CCCC(C)C 04034ba2b012fb4877b465e2ae762835 [1,0,0,0,0,0|2,0,1]=4 194 B10R0.3 CN(C)CCCN(C)CC=O 9f4764c157b1cfe44d7d1dc9e1edd76e [1,0,0,0,0,0|2,0,0]=3 195 B10R0.3 CN(CC=O)CCCC(=O)O 67f0fb1d0af79e0700b8da074a931b71 [1,0,0,0,0,0|2,0,1]=4 196 B10R0.3 COCC(C)COCC(C)C e12b358dafc06646d4d39d949ea826df [1,0,0,0,0,0|3,0,0]=4 197 B10R0.3 COCC(C)NCCC(C)C 871ef02befea13b7a462216f4785b664 [1,0,0,0,0,0|3,0,0]=4 198 B10R0.3 COCC(C)NCCC(C)O 2546b9347f7304dc8642332d7af68992 [1,0,0,0,0,0|3,0,0]=4 199 B10R0.3 COCC(C)NCC[C@@H](C)O a7d3c711a6177108ea81a21b147989bc [1,0,0,0,0,0|3,0,0]=4 200 B10R0.3 COCC(C)NCC[C@H](C)O bf983b5a5d6ef57ff8c61cde0ffbfbca [1,0,0,0,0,0|3,0,0]=4 201 B10R0.3 COCC(C)OCCC(C)C 60577c53dd540401812508b248d969b1 [1,0,0,0,0,0|3,0,0]=4 202 B10R0.3 COC[C@@H](C)NCCC(C)C e576e7ed12e0109f7e1b1d49ca8b5694 [1,0,0,0,0,0|3,0,0]=4 203 B10R0.3 COC[C@@H](C)NCCC(C)O bcaa27e0adedc474a8976ad1df9e3d8b [1,0,0,0,0,0|3,0,0]=4 204 B10R0.3 COC[C@@H](C)OCCC(C)C 7a4554165307eff2aa84ddb272fd8fe8 [1,0,0,0,0,0|3,0,0]=4 205 B10R0.3 COC[C@H](C)COCC(C)C 8ac9656cdb548193022678fe0888cc45 [1,0,0,0,0,0|3,0,0]=4 206 B10R0.3 COC[C@H](C)NCCC(C)C e22e69505d63c538145a1de2d8df3655 [1,0,0,0,0,0|3,0,0]=4 207 B10R0.3 COC[C@H](C)NCCC(C)O 369a3d87b8d02e538f4963386cfef072 [1,0,0,0,0,0|3,0,0]=4 208 B10R0.3 COC[C@H](C)OCCC(C)C d600987725da0c0e20a71f2a4e4ebdfc [1,0,0,0,0,0|3,0,0]=4 209 B10R0.3 CSCC(C)OCCC(C)C 2cf087632a573edd94ef1a6d8d920410 [1,0,0,0,0,0|3,0,0]=4 210 B10R0.3 C[C@@H](O)CCNC(=O)CC=O 1648a8987c6dd35d352120b2de20c613 [1,0,0,0,0,0|2,0,1]=4 211 B10R0.3 C[C@H](O)CCNC(=O)CC=O 116d638438b4181dba6a6ed4cc387f29 [1,0,0,0,0,0|2,0,1]=4 212 B10R0.22 C#CCCCNCC(C)(C)O c364bad8cd7645b33b55f18aaa880d1a [1,0,0,0,0,0|2,0,1]=4 213 B10R0.22 C#CCCCOCC(C)(C)O 6656303358ecb52721cac7cf85234581 [1,0,0,0,0,0|2,0,1]=4 214 B10R0.22 C#CCCNCCC(C)(C)O 04346d31b046bf2502e6c98478d39c6a [1,0,0,0,0,0|2,0,1]=4 215 B10R0.22 C#CCCOCCC(C)(C)O 5afa12c00bd463e151606410ed084c6d [1,0,0,0,0,0|2,0,1]=4 216 B10R0.22 C#CCNCCCC(C)(C)O 810f4d556b5c6d78e78a4766c0b79391 [1,0,0,0,0,0|2,0,1]=4 217 B10R0.22 C#CCOCCCC(C)(C)O 0f57b9d381a0a6459d0a55c449a68937 [1,0,0,0,0,0|2,0,1]=4 218 B10R0.22 C/C=C/CCOCC(C)(C)O e7851f2c13a5372bf2f1cc622d7fbf8d [1,0,0,0,0,0|2,0,1]=4 219 B10R0.22 C/C=C/CNCCC(C)(C)O c6e15680da989971b9c5c7c33e3c365f [1,0,0,0,0,0|2,0,1]=4 220 B10R0.22 C/C=C/COCCC(C)(C)O 8fcf07fca19743e8222dfd11704302b6 [1,0,0,0,0,0|2,0,1]=4 221 B10R0.22 C/C=C\CNCCC(C)(C)O 7268a309b7379e82afddc329ac90960a [1,0,0,0,0,0|2,0,1]=4 222 B10R0.22 C/C=C\COCCC(C)(C)O 39c5364db7d641f30e23bd615ec7e515 [1,0,0,0,0,0|2,0,1]=4 223 B10R0.22 C=CCCCCNC(C)(C)C a5e0beef30ef28f308a567192a082be2 [1,0,0,0,0,0|3,0,0]=4 224 B10R0.22 C=CCCCNCC(C)(C)C 58de8697a627904d82163886f023c799 [1,0,0,0,0,0|3,0,0]=4 225 B10R0.22 C=CCCCNCC(C)(C)F e9a0e7a62895832869191462464ea1e4 [1,0,0,0,0,0|3,0,0]=4 226 B10R0.22 C=CCCCNCC(C)(C)O eb2eb173e66f53bc812e76f3be02aafc [1,0,0,0,0,0|2,0,0]=3 227 B10R0.22 C=CCCCOCC(C)(C)Br 5ffcf56fa4290865e46e47233eeb597b [1,0,0,0,0,0|3,0,0]=4 228 B10R0.22 C=CCCCOCC(C)(C)C 7252a5d998ee37c93e1157d4dea5fcdf [1,0,0,0,0,0|3,0,0]=4 229 B10R0.22 C=CCCCOCC(C)(C)F 1dfa42641b9402ab4266abe739c2b335 [1,0,0,0,0,0|3,0,0]=4 230 B10R0.22 C=CCCCOCC(C)(C)O 5bb1a31f1f695dc7932b8dc5d9b84443 [1,0,0,0,0,0|2,0,0]=3 231 B10R0.22 C=CCCCOCC(C)(C)S 4c64f3647c860302c82edeb4e4184ee5 [1,0,0,0,0,0|2,1,0]=4 232 B10R0.22 C=CCCNCCC(C)(C)C e8a4022d2bb47975545c7ff8202b3425 [1,0,0,0,0,0|3,0,0]=4 233 B10R0.22 C=CCCNCCC(C)(C)F 4db14ab8813317b3c5da349ec065ec75 [1,0,0,0,0,0|3,0,0]=4 234 B10R0.22 C=CCCNCCC(C)(C)O 878de2b41632bba5f0db6dcd60b5bc4d [1,0,0,0,0,0|2,0,0]=3 235 B10R0.22 C=CCCOCCC(C)(C)C d3ac02dad6636be7d726bc67effd1dc5 [1,0,0,0,0,0|3,0,0]=4 236 B10R0.22 C=CCCOCCC(C)(C)O 5ac4964eda34ecdaabf2ff9f55ddfd25 [1,0,0,0,0,0|2,0,0]=3 237 B10R0.22 C=CCCOCCC(C)(C)S 5c74554b416d639159b1d7f89c71119f [1,0,0,0,0,0|2,1,0]=4 238 B10R0.22 C=CCNCCCC(C)(C)C 2e2b850f9c9dc97019abdfde869a51ee [1,0,0,0,0,0|3,0,0]=4 239 B10R0.22 C=CCNCCCC(C)(C)O b990cc6df0214f8aa4afb8615a69793b [1,0,0,0,0,0|2,0,0]=3 240 B10R0.22 C=CCOCCCC(C)(C)C dc76be69e3c82abf0d7c6cb94d78c65b [1,0,0,0,0,0|3,0,0]=4 241 B10R0.22 C=COCCNCC(C)(C)O 8bd9bc2c4b8c80a0520e7ae4c7bd82bf [1,0,0,0,0,0|3,0,0]=4 242 B10R0.22 C=COCCOCC(C)(C)O dafa0a8cbebb6e0d9cff774038f33ee2 [1,0,0,0,0,0|3,0,0]=4 243 B10R0.22 CC(C)(Br)COCCCC=O f11ab3c01fb03120e4dfe2a7daf3e126 [1,0,0,0,0,0|2,0,0]=3 244 B10R0.22 CC(C)(C)CCCNCC=O c2870939534f978ab1b05ca6ff5c907d [1,0,0,0,0,0|2,0,0]=3 245 B10R0.22 CC(C)(C)CCCOCC=O 2f8c277f4be7a8c71ddfd48faa21a152 [1,0,0,0,0,0|2,0,0]=3 246 B10R0.22 CC(C)(C)CCNCCC=O 1033d5ff4b6c356a5560c1690739f487 [1,0,0,0,0,0|2,0,0]=3 247 B10R0.22 CC(C)(C)CCOCCC=O 226221772ff71511160e34ef35e8be6e [1,0,0,0,0,0|2,0,0]=3 248 B10R0.22 CC(C)(C)CNCCCC=O 3df45ef8da0c650648570d94e58b367f [1,0,0,0,0,0|2,0,0]=3 249 B10R0.22 CC(C)(C)COCCCC=O 859b84ebe9c88ddbd522cbb529a25b2a [1,0,0,0,0,0|2,0,0]=3 250 B10R0.22 CC(C)(C)COCCNC=O dd0a83581131951fc039a14093fe56f3 [1,0,0,0,0,0|3,0,0]=4 251 B10R0.22 CC(C)(C)COCCOC=O d50e16116c9d8e447a97d047ada5bee0 [1,0,0,0,0,0|3,0,0]=4 252 B10R0.22 CC(C)(C)NCCCCC=O a7a06345cd39afd2a431fecbda179380 [1,0,0,0,0,0|2,0,0]=3 253 B10R0.22 CC(C)(C)NCCOCC=O 0364fa05024b662dcf6a5a1c121ec5bb [1,0,0,0,0,0|3,0,0]=4 254 B10R0.22 CC(C)(C)OCCCNC=O e4e037bef52173f1d653e54946c9ebef [1,0,0,0,0,0|3,0,0]=4 255 B10R0.22 CC(C)(C)OCCNCC=O 028f5ecae8009fcf3091ddc155f3b8e6 [1,0,0,0,0,0|3,0,0]=4 256 B10R0.22 CC(C)(C)OCCOCC=O 7921b33b05cb6e4f38e78a7a7e80c2e3 [1,0,0,0,0,0|3,0,0]=4 257 B10R0.22 CC(C)(C)SCCNCC=O 8327b261929fdf38afdc3d4460d4e871 [1,0,0,0,0,0|3,0,0]=4 258 B10R0.22 CC(C)(C)SCCOCC=O aea8c5fd0bb7305162b7e20bec57b843 [1,0,0,0,0,0|3,0,0]=4 259 B10R0.22 CC(C)(F)CCNCCC=O 9df6968ce3a6ef29dec1c0fc225aa397 [1,0,0,0,0,0|2,0,0]=3 260 B10R0.22 CC(C)(F)COCCCC=O e308e1489aa465af21cbe8b7778c331f [1,0,0,0,0,0|2,0,0]=3 261 B10R0.22 CC(C)(F)COCCNC=O fd3f81aa73ae8e1188ffb0a27f226abf [1,0,0,0,0,0|3,0,0]=4 262 B10R0.22 CC(C)(F)COCCOC=O 804f7cd6de6be8816932b8d6ce9be078 [1,0,0,0,0,0|3,0,0]=4 263 B10R0.22 CC(C)(O)CCCNCC#N 7036ae976264edd473e8a807816b6ec7 [1,0,0,0,0,0|2,0,1]=4 264 B10R0.22 CC(C)(O)CCCNCC=O 76bf7604e149179dd9bd95b5a9bcc833 [1,0,0,0,0,0|1,0,0]=2 265 B10R0.22 CC(C)(O)CCCNCCBr c8ef529b3ad6c4e9acca8f3d0615d1a0 [1,0,0,0,0,0|2,0,1]=4 266 B10R0.22 CC(C)(O)CCCNCCF 342c7b4762bfd5f06d92c436553f1186 [1,0,0,0,0,0|2,0,1]=4 267 B10R0.22 CC(C)(O)CCCNCCI 4dbe359a979890ac77c0d36ddf435678 [1,0,0,0,0,0|2,0,1]=4 268 B10R0.22 CC(C)(O)CCCNCCO 20005208fc33b008b5c6089eb581043e [1,0,0,0,0,0|1,0,2]=4 269 B10R0.22 CC(C)(O)CCCNCCS ad7914f8d95f0eae8f3352834ec18f4b [1,0,0,0,0,0|1,1,1]=4 270 B10R0.22 CC(C)(O)CCCOCC#N 11da5390c12833464d93b8d0f14c7b7a [1,0,0,0,0,0|2,0,1]=4 271 B10R0.22 CC(C)(O)CCCOCCF 50c1fdead87a24cb0bb2afc0e6e1990e [1,0,0,0,0,0|2,0,1]=4 272 B10R0.22 CC(C)(O)CCCOCCS cc038bae03b4330c23c9635441124f48 [1,0,0,0,0,0|1,1,1]=4 273 B10R0.22 CC(C)(O)CCNC/C=C/Cl 027712db67c62d868d296e370b00aa70 [1,0,0,0,0,0|2,0,1]=4 274 B10R0.22 CC(C)(O)CCNC/C=C\Cl 5d584b370e2991585885d92033029feb [1,0,0,0,0,0|2,0,1]=4 275 B10R0.22 CC(C)(O)CCNC/C=C\O 7dbd7fc5693feb14c2b62714545bf9ce [1,0,0,0,0,0|1,0,2]=4 276 B10R0.22 CC(C)(O)CCNCCC#N abd5888a4a19eb9c13130fae4147992d [1,0,0,0,0,0|2,0,1]=4 277 B10R0.22 CC(C)(O)CCNCCC=O e9c90c464bae04af20f626ebc4c303b4 [1,0,0,0,0,0|1,0,0]=2 278 B10R0.22 CC(C)(O)CCNCCCCl 1b6d2839613c3f8061135f57e7614040 [1,0,0,0,0,0|2,0,1]=4 279 B10R0.22 CC(C)(O)CCNCCCF bb7cd148da201677477085aeb6d60966 [1,0,0,0,0,0|2,0,1]=4 280 B10R0.22 CC(C)(O)CCNCCCO 8b0766f5ba38bfd80475f745aa8052f3 [1,0,0,0,0,0|1,0,2]=4 281 B10R0.22 CC(C)(O)CCNCCCS 618423eb0505c109a92da03d315b5db2 [1,0,0,0,0,0|1,1,1]=4 282 B10R0.22 CC(C)(O)CCNCCON bd2173669359b8ca4085f615f816928c [1,0,0,0,0,0|3,0,0]=4 283 B10R0.22 CC(C)(O)CCOC/C=C/Cl c12bd053a801d41413836d44361a91f8 [1,0,0,0,0,0|2,0,1]=4 284 B10R0.22 CC(C)(O)CCOCC=CCl 308a9de8486706f4765d057026e8f13a [1,0,0,0,0,0|2,0,1]=4 285 B10R0.22 CC(C)(O)CCOCCC#N e5438048c9fc8c2d1659621628a7af23 [1,0,0,0,0,0|2,0,1]=4 286 B10R0.22 CC(C)(O)CCOCCC=O 7ab95f970c349f29e204981b429c49c6 [1,0,0,0,0,0|1,0,0]=2 287 B10R0.22 CC(C)(O)CCOCCCF bdc92ac349daab88e0eae57da80313f4 [1,0,0,0,0,0|2,0,1]=4 288 B10R0.22 CC(C)(O)CCOCCCS f51ca7c74fe2564434a913bb9fb51e36 [1,0,0,0,0,0|1,1,1]=4 289 B10R0.22 CC(C)(O)CNCCCC#N 6dfcc8f86b953224e41ab234f764fd46 [1,0,0,0,0,0|2,0,1]=4 290 B10R0.22 CC(C)(O)CNCCCC=O be70f2a440a94b8d7d189fc08d17c951 [1,0,0,0,0,0|1,0,0]=2 291 B10R0.22 CC(C)(O)CNCCCCCl 7a00c445a70111230186b203d3dc18ab [1,0,0,0,0,0|2,0,1]=4 292 B10R0.22 CC(C)(O)CNCCCCF 92085a8a8e73e4c95cbae41ee351849a [1,0,0,0,0,0|2,0,1]=4 293 B10R0.22 CC(C)(O)CNCCCCO c6b0799ea4e22669b6ac98f86cc8f8c8 [1,0,0,0,0,0|1,0,2]=4 294 B10R0.22 CC(C)(O)CNCCCCS 3349d622a88080474f19066a5bc1ee46 [1,0,0,0,0,0|1,1,1]=4 295 B10R0.22 CC(C)(O)COC/C=C/C=O 8b1464235021e05cba53773b2062014f [1,0,0,0,0,0|1,0,2]=4 296 B10R0.22 CC(C)(O)COCCCC#N 65800c913ff6b382ec6dfacfe37bc1cc [1,0,0,0,0,0|2,0,1]=4 297 B10R0.22 CC(C)(O)COCCCC=O c4ff68ee1da22934479ab1b02a27cc8b [1,0,0,0,0,0|1,0,0]=2 298 B10R0.22 CC(C)(O)COCCCCF 1a5f4aea3b4e4ba6a0f8a40e2df619d9 [1,0,0,0,0,0|2,0,1]=4 299 B10R0.22 CC(C)(O)COCCCCS ed36989f5572b40137a2e28f86e8fa8c [1,0,0,0,0,0|1,1,1]=4 300 B10R0.22 CC(C)(O)COCCNC=O 7e2ec6dfb85ae0068f7b41e468df2c23 [1,0,0,0,0,0|2,0,0]=3 301 B10R0.22 CC(C)(O)COCCOC=O 5ee136e5449df107999b80d6ac3421b0 [1,0,0,0,0,0|2,0,0]=3 302 B10R0.22 CC(C)(S)CCOCCC=O 70cf22104f3fa13ee7bf7a80e846d77b [1,0,0,0,0,0|1,1,0]=3 303 B10R0.22 CC(C)(S)COCCCC=O 66a6c94d0dc8d295104db175d52e6c9b [1,0,0,0,0,0|1,1,0]=3 304 B10R0.22 CC(F)(F)CCOCCC=O ff701e54ff5134e1d8fc9736d5d6562b [1,0,0,0,0,0|3,0,0]=4 305 B10R0.22 CC(F)(F)CNCCCC=O 7088c7fe6010597e9b2571d713839430 [1,0,0,0,0,0|3,0,0]=4 306 B10R0.22 CC(F)(F)COCCCC=O 7471c7cab7a3880579f08cca643a65f4 [1,0,0,0,0,0|3,0,0]=4 307 B10R0.22 CC=CCNCCC(C)(C)O 0cb103646febe42f605238ac7ec3a1a8 [1,0,0,0,0,0|2,0,1]=4 308 B10R0.22 CC=CCOCCC(C)(C)O 73bbb452a1d6695dd88722c75f3004cf [1,0,0,0,0,0|2,0,1]=4 309 B10R0.22 CCCCCNCC(C)(C)O ae94554c022fd64cb28e25b38aad49ef [1,0,0,0,0,0|2,0,1]=4 310 B10R0.22 CCCCCOCC(C)(C)O 956f995c6f1d387ad17dbba4b5f8e90e [1,0,0,0,0,0|2,0,1]=4 311 B10R0.22 CCCCNCCC(C)(C)O f6662fa2ef50877aaf425a71e1319028 [1,0,0,0,0,0|2,0,1]=4 312 B10R0.22 CCCCOCCC(C)(C)O 8a996f4b5951e279667e40071f0a4e68 [1,0,0,0,0,0|2,0,1]=4 313 B10R0.22 CCCNCCCC(C)(C)O 61651489957c568eec9c91fe7dc9a238 [1,0,0,0,0,0|2,0,1]=4 314 B10R0.22 CCCOCCCC(C)(C)O 2b98d0ef5702340b2a272ca19269d4f3 [1,0,0,0,0,0|2,0,1]=4 315 B10R0.22 COCCCNCC(C)(C)O 36442b1f419c1e2eb80699c29fb2a6d8 [1,0,0,0,0,0|3,0,0]=4 316 B10R0.22 COCCCOCC(C)(C)O 0acd498f29de8fa22e9cecb1d3d8fe2f [1,0,0,0,0,0|3,0,0]=4 317 B10R0.22 COCCNCCC(C)(C)O 175be740dbcb7dcb472f6fa8efcb3d0e [1,0,0,0,0,0|3,0,0]=4 318 B10R0.22 COCCOCCC(C)(C)O aefc2c1e046433d7afd1ab5a22ec6b1e [1,0,0,0,0,0|3,0,0]=4 319 B10R0.22 COCNCCCC(C)(C)O cdd5dcdfd6c97d58f614983e6f7b3899 [1,0,0,0,0,0|3,0,0]=4 320 B10R0.22 COCOCCCC(C)(C)O f776cdf57849c917bccba9ad5b944b3a [1,0,0,0,0,0|3,0,0]=4 321 B10R0.22 CSCCCNCC(C)(C)O 89229598e47a39370ee20d138ce1e087 [1,0,0,0,0,0|3,0,0]=4 322 B10R0.22 CSCCCOCC(C)(C)O 9d72c302cebc56f52b11f4f29f682940 [1,0,0,0,0,0|3,0,0]=4 323 B10R0.22 CSCCNCCC(C)(C)O b63dc00eaf32a9680105a7215a33b1b9 [1,0,0,0,0,0|3,0,0]=4 324 B10R0.22 CSCCOCCC(C)(C)O 6c1325de41902002c9772f8720768a6a [1,0,0,0,0,0|3,0,0]=4 325 B10R0.22 CSCNCCCC(C)(C)O 36319cff3cb53275a314b9980a9224b0 [1,0,0,0,0,0|3,0,0]=4 326 B10R0.60 C#CC(C)NCCC(C)(C)O 5d1439bb54012b1ae6f76adc6d8e57c6 [1,0,0,0,0,0|1,0,2]=4 327 B10R0.60 C#CC(C)OCCC(C)(C)O 3cffd1f4e10208f0f66c49205ebb8696 [1,0,0,0,0,0|1,0,2]=4 328 B10R0.60 C#C[C@@H](C)NCCC(C)(C)O 5b97d9e459c206b9c1c6916c025e450a [1,0,0,0,0,0|1,0,2]=4 329 B10R0.60 C#C[C@@H](C)OCCC(C)(C)O 600c0ff2c060e19232065f731f1df4fc [1,0,0,0,0,0|1,0,2]=4 330 B10R0.60 C#C[C@H](C)NCCC(C)(C)O a61ab895fddd23725fcfff3d73f771d7 [1,0,0,0,0,0|1,0,2]=4 331 B10R0.60 C#C[C@H](C)OCCC(C)(C)O 600fce93f26d90da8d84d8a786154f97 [1,0,0,0,0,0|1,0,2]=4 332 B10R0.60 C/C(=C\I)/COCC(C)(C)O 1c19f7b75bedda0b00bfbb4907dda5a5 [1,0,0,0,0,0|2,0,1]=4 333 B10R0.60 C=C(C=O)OCCC(C)(C)O cf6818624d6555757517865b3c3acbca [1,0,0,0,0,0|1,0,2]=4 334 B10R0.60 C=CC(C)COCC(C)(C)C 676df6079ca36a693b02ed982c9c6539 [1,0,0,0,0,0|2,0,1]=4 335 B10R0.60 C=CC(C)COCC(C)(C)F e0763c2f274b0bc97c2c9a3d7e06426b [1,0,0,0,0,0|2,0,1]=4 336 B10R0.60 C=CC(C)COCC(C)(C)O afe8be86fac5bbae4813577590e3f1fe [1,0,0,0,0,0|1,0,1]=3 337 B10R0.60 C=CC(C)NCCC(C)(C)C a8f0cba0ddd201c8d1a1b05f4c44fcf5 [1,0,0,0,0,0|2,0,1]=4 338 B10R0.60 C=CC(C)NCCC(C)(C)F 8249b56b519da7da386579178976214c [1,0,0,0,0,0|2,0,1]=4 339 B10R0.60 C=CC(C)NCCC(C)(C)O 3605c9f34cf6ed3f839f6a2dd7d2605e [1,0,0,0,0,0|1,0,1]=3 340 B10R0.60 C=CC(C)OCCC(C)(C)C 5ea729a592d062491d26db7ee83456e8 [1,0,0,0,0,0|2,0,1]=4 341 B10R0.60 C=CC(C)OCCC(C)(C)O b378af447d31d509a3b2194c6c0a4533 [1,0,0,0,0,0|1,0,1]=3 342 B10R0.60 C=CC(C)OCCC(C)(C)S aebc75dbc6394a8cbbeb139ed4039a48 [1,0,0,0,0,0|1,1,1]=4 343 B10R0.60 C=CC(O)CNCC(C)(C)O 11d1cdd505556162bc8747d4290fa9b1 [1,0,0,0,0,0|2,0,1]=4 344 B10R0.60 C=C[C@H](C)OCCC(C)(C)C cdf66e132e28f92a3550ae9cd82d205a [1,0,0,0,0,0|2,0,1]=4 345 B10R0.60 C=C[C@H](C)OCCC(C)(C)O a1a37da4a835a401aff44c6dd4d8b7b4 [1,0,0,0,0,0|1,0,1]=3 346 B10R0.60 CC(=CI)COCC(C)(C)O 7620aa57a5a84c6afa2e36991c25b5bc [1,0,0,0,0,0|2,0,1]=4 347 B10R0.60 CC(C#N)CNCC(C)(C)O 3df1e7133abff129486677f1800a4a36 [1,0,0,0,0,0|2,0,1]=4 348 B10R0.60 CC(C#N)COCC(C)(C)O 43157252feef9633e02ef9cc291933d1 [1,0,0,0,0,0|2,0,1]=4 349 B10R0.60 CC(C#N)NCCC(C)(C)O 9553eb447e085540a5d4950e0d092d19 [1,0,0,0,0,0|2,0,1]=4 350 B10R0.60 CC(C)(O)CCNC(=O)C=O 74622f475432f9f19fda92831ffb7d58 [1,0,0,0,0,0|2,0,1]=4 351 B10R0.60 CC(C)(O)CNCC(Br)CBr 8bb75d14108851fab1686f54bd17fe30 [1,0,0,0,0,0|3,0,0]=4 352 B10R0.60 CC(C)(O)CNCC(F)CO c1f0e0e0c950388c29d938e8aee082c3 [1,0,0,0,0,0|2,0,1]=4 353 B10R0.60 CC(C)(O)CNCC(O)CF 334f92dbafee35b25139c2861dc529c2 [1,0,0,0,0,0|3,0,0]=4 354 B10R0.60 CC(C)(O)CNCC(O)CO 4f7601a1a9e877f6e5abe4c49ba72642 [1,0,0,0,0,0|2,0,1]=4 355 B10R0.60 CC(C)(O)CNC[C@@H](F)CO 6e8160315d40ce81820af16013cd8bba [1,0,0,0,0,0|2,0,1]=4 356 B10R0.60 CC(C)(O)CNC[C@@H](O)CO 3037ed4cb7727495873b9577b0d87ba4 [1,0,0,0,0,0|2,0,1]=4 357 B10R0.60 CC(C)(O)CNC[C@H](F)CO 1ea06996c51be7d1a39ba9a880d06fde [1,0,0,0,0,0|2,0,1]=4 358 B10R0.60 CC(C)(O)CNC[C@H](O)CO bfcceaa366050f9c87c631b9f832c39d [1,0,0,0,0,0|2,0,1]=4 359 B10R0.60 CC(C)(O)COCC(Br)CBr 4d8cca0c22cf550cd1202e5c4d86673a [1,0,0,0,0,0|3,0,0]=4 360 B10R0.60 CC(C)(O)COCC(Cl)CCl 18c28ec7a429cbb7a7033f726f219965 [1,0,0,0,0,0|3,0,0]=4 361 B10R0.60 CC(C)(O)COCC(S)CS b5da2357b7d164219ef84d3ce2486c60 [1,0,0,0,0,0|2,1,0]=4 362 B10R0.60 CC(C=O)NCCC(C)(C)C 46e08dd15f5637cbd0e0856531e7586c [1,0,0,0,0,0|2,0,0]=3 363 B10R0.60 CC(C=O)NCCC(C)(C)F cb0e0ddb24f84e44224846ef2701d4e3 [1,0,0,0,0,0|2,0,0]=3 364 B10R0.60 CC(C=O)NCCC(C)(C)O 2b7e2ca6eb33e23b54f0393462ac92ea [1,0,0,0,0,0|1,0,0]=2 365 B10R0.60 CC(C=O)OCCC(C)(C)C c1ff7e28fc046caf1edcbf4868235b70 [1,0,0,0,0,0|2,0,0]=3 366 B10R0.60 CC(C=O)OCCC(C)(C)O 41290f7eac2eece2a82e7f2c6f91dd41 [1,0,0,0,0,0|1,0,0]=2 367 B10R0.60 CC(C=O)OCCC(C)(C)S 0d5529d1c6d0c822558f3e7b9e202935 [1,0,0,0,0,0|1,1,0]=3 368 B10R0.60 CC(C=O)OCCC(C)(F)F 21553540f8a6f52431fe988b62a4dbd0 [1,0,0,0,0,0|3,0,0]=4 369 B10R0.60 CC(CF)OCCC(C)(C)C 779508743bec23779ba6aa9bd0073518 [1,0,0,0,0,0|3,0,0]=4 370 B10R0.60 CC(CF)OCCC(C)(C)O 1c9c593f629e6917ca67829ae19433ae [1,0,0,0,0,0|2,0,0]=3 371 B10R0.60 CC(CO)CCNC(C)(C)C a01707eecc6b0c0235455d794b08711c [1,0,0,0,0,0|2,0,1]=4 372 B10R0.60 CC(CO)CNCC(C)(C)C de392f0bd360080256dcd53b9728aae0 [1,0,0,0,0,0|2,0,1]=4 373 B10R0.60 CC(CO)CNCC(C)(C)F 724ddc4bd021c4c8dcb065fc626b756e [1,0,0,0,0,0|2,0,1]=4 374 B10R0.60 CC(CO)CNCC(C)(C)O 7495638e91fae9a501abee894097b793 [1,0,0,0,0,0|1,0,1]=3 375 B10R0.60 CC(CO)NCCC(C)(C)C b71f8d7ae0571112586392e04564acfa [1,0,0,0,0,0|2,0,1]=4 376 B10R0.60 CC(CO)NCCC(C)(C)F 82c3e629535d2476bfce137c0e3a1fd1 [1,0,0,0,0,0|2,0,1]=4 377 B10R0.60 CC(CO)NCCC(C)(C)O 4b3430a85f581b2798cf4f539c6684c1 [1,0,0,0,0,0|1,0,1]=3 378 B10R0.60 CC(CS)OCCC(C)(C)C 117857ebe46c022600428ba46e392fd6 [1,0,0,0,0,0|2,1,0]=4 379 B10R0.60 CC(CS)OCCC(C)(C)O 342262410de17f59ef6f27029b159cd9 [1,0,0,0,0,0|1,1,0]=3 380 B10R0.60 CCC(C)CCNC(C)(C)C 7e06a1a8b0107610541f109b20789cb8 [1,0,0,0,0,0|2,0,1]=4 381 B10R0.60 CCC(C)CNCC(C)(C)C 1ab04c3ab335c3d09b1362cf6a133942 [1,0,0,0,0,0|2,0,1]=4 382 B10R0.60 CCC(C)CNCC(C)(C)F 9cd133ed5fc2f9be34e0fad25ea0e9db [1,0,0,0,0,0|2,0,1]=4 383 B10R0.60 CCC(C)CNCC(C)(C)O d6d948b7132fe1c893b11b7e366d7398 [1,0,0,0,0,0|1,0,1]=3 384 B10R0.60 CCC(C)COCC(C)(C)Br 5dd9adea682797a465165348ff0ab95b [1,0,0,0,0,0|2,0,1]=4 385 B10R0.60 CCC(C)COCC(C)(C)C 37908b3f6acfee02cd498521061f1287 [1,0,0,0,0,0|2,0,1]=4 386 B10R0.60 CCC(C)COCC(C)(C)F 63578d48e880d7a9adfb294f09fb0d32 [1,0,0,0,0,0|2,0,1]=4 387 B10R0.60 CCC(C)COCC(C)(C)O 3d524492bb9832e8d429ff493e57e003 [1,0,0,0,0,0|1,0,1]=3 388 B10R0.60 CCC(C)COCC(C)(C)S bd01adf7294e99e0e3e5c0d2604919fa [1,0,0,0,0,0|1,1,1]=4 389 B10R0.60 CCC(C)NCCC(C)(C)C 6902044b2cffc212e97e53b3a3797105 [1,0,0,0,0,0|2,0,1]=4 390 B10R0.60 CCC(C)NCCC(C)(C)F 5115393e0a695d37e8d1c3e6a0aca342 [1,0,0,0,0,0|2,0,1]=4 391 B10R0.60 CCC(C)NCCC(C)(C)O a816a8692ae18974114314460631cf73 [1,0,0,0,0,0|1,0,1]=3 392 B10R0.60 CCC(C)OCCC(C)(C)C 5c3e426dc1de87297cc81184c9083d43 [1,0,0,0,0,0|2,0,1]=4 393 B10R0.60 CCC(C)OCCC(C)(C)O bc8b25e8027d9db3304017ae6f51f3b1 [1,0,0,0,0,0|1,0,1]=3 394 B10R0.60 CCC(C)OCCC(C)(C)S 9a3e019e41993c1d7f2881e676f0696a [1,0,0,0,0,0|1,1,1]=4 395 B10R0.60 CCC(O)CNCC(C)(C)O 34847696d84e1631b027ede5bf98150c [1,0,0,0,0,0|2,0,1]=4 396 B10R0.60 CCN(C)CCCC(C)(C)O 645271411c1b7809eb48fb00588fd628 [1,0,0,0,0,0|1,0,1]=3 397 B10R0.60 CC[C@@H](C)CNCC(C)(C)C 3064dd83fd94a3977c8303072fba2e89 [1,0,0,0,0,0|2,0,1]=4 398 B10R0.60 CC[C@@H](C)CNCC(C)(C)O c9f1054de472e143a3ab8bf5f53fc371 [1,0,0,0,0,0|1,0,1]=3 399 B10R0.60 CC[C@@H](C)COCC(C)(C)Br ad86457453a0b45902f69226af3f39bf [1,0,0,0,0,0|2,0,1]=4 400 B10R0.60 CC[C@@H](C)COCC(C)(C)C 79c20944c115abf159249ab8ad0731f6 [1,0,0,0,0,0|2,0,1]=4 401 B10R0.60 CC[C@@H](C)COCC(C)(C)F 85ed4ec328cfbb781c4f052430c70eb6 [1,0,0,0,0,0|2,0,1]=4 402 B10R0.60 CC[C@@H](C)COCC(C)(C)O dc2dfa7d29d7a34648279dc8cd5b15b0 [1,0,0,0,0,0|1,0,1]=3 403 B10R0.60 CC[C@@H](C)COCC(C)(C)S a64f32743f84416f227952becfeea452 [1,0,0,0,0,0|1,1,1]=4 404 B10R0.60 CC[C@@H](C)NCCC(C)(C)C 6cdf4d7c47e9bfff7df6bac8facf5f23 [1,0,0,0,0,0|2,0,1]=4 405 B10R0.60 CC[C@@H](C)NCCC(C)(C)O 9d63a1c6dbfba0c5b6c0c5f8723994e4 [1,0,0,0,0,0|1,0,1]=3 406 B10R0.60 CC[C@@H](C)OCCC(C)(C)C 34850af55fe11d7358df2e72c6528f96 [1,0,0,0,0,0|2,0,1]=4 407 B10R0.60 CC[C@@H](C)OCCC(C)(C)O 6ea1076fbf31ca5e539401683398327b [1,0,0,0,0,0|1,0,1]=3 408 B10R0.60 CC[C@@H](O)CNCC(C)(C)O c028442903f5ebf13c080eb2ef8f0c76 [1,0,0,0,0,0|2,0,1]=4 409 B10R0.60 CC[C@H](C)CNCC(C)(C)C fdfb46f3dee97f406edac87616cc1b15 [1,0,0,0,0,0|2,0,1]=4 410 B10R0.60 CC[C@H](C)CNCC(C)(C)F 51e8291454dca82687c517c149e809a4 [1,0,0,0,0,0|2,0,1]=4 411 B10R0.60 CC[C@H](C)CNCC(C)(C)O 65b34345ae5a853e0646d72787147eb7 [1,0,0,0,0,0|1,0,1]=3 412 B10R0.60 CC[C@H](C)COCC(C)(C)Br 1dfdbfb2e8cf0702d532b8fba2fce218 [1,0,0,0,0,0|2,0,1]=4 413 B10R0.60 CC[C@H](C)COCC(C)(C)C 68192f6586b87d2cc274f1cd8840db89 [1,0,0,0,0,0|2,0,1]=4 414 B10R0.60 CC[C@H](C)COCC(C)(C)F 413bd5aca5dd8d37495cab2217aba8af [1,0,0,0,0,0|2,0,1]=4 415 B10R0.60 CC[C@H](C)COCC(C)(C)O 3bbcdd0e28be8d84cf63d812a7b68be6 [1,0,0,0,0,0|1,0,1]=3 416 B10R0.60 CC[C@H](C)COCC(C)(C)S fca2f10d8adeadc11cc9e26e3bebd9c2 [1,0,0,0,0,0|1,1,1]=4 417 B10R0.60 CC[C@H](C)NCCC(C)(C)C 5d7685fe4f8e9734d2ed4711e2f6baae [1,0,0,0,0,0|2,0,1]=4 418 B10R0.60 CC[C@H](C)NCCC(C)(C)O 7c91c565c361aed3b36918aa3970e947 [1,0,0,0,0,0|1,0,1]=3 419 B10R0.60 CC[C@H](C)OCCC(C)(C)C 57c33e9ae3343d8f3dc76d03d3e96404 [1,0,0,0,0,0|2,0,1]=4 420 B10R0.60 CC[C@H](C)OCCC(C)(C)O 3ce4933f6355ab6d37e2b9404cf9e999 [1,0,0,0,0,0|1,0,1]=3 421 B10R0.60 COC(C)CNCC(C)(C)O d451957cc3bfb16d9f42df37357bc4bb [1,0,0,0,0,0|2,0,1]=4 422 B10R0.60 COC(C)COCC(C)(C)O 171ebae3fca5920fb2909672e51b6274 [1,0,0,0,0,0|2,0,1]=4 423 B10R0.60 CO[C@@H](C)CNCC(C)(C)O c5aeccfa1a19f5608a156afa88b7adf9 [1,0,0,0,0,0|2,0,1]=4 424 B10R0.60 CO[C@@H](C)COCC(C)(C)O de73a9d45ddb09cc81cc57f2145b2210 [1,0,0,0,0,0|2,0,1]=4 425 B10R0.60 CO[C@H](C)CNCC(C)(C)O 5542769905bef431285f3e511e0b4922 [1,0,0,0,0,0|2,0,1]=4 426 B10R0.60 CO[C@H](C)COCC(C)(C)O 95111329d1db12500cae5bf9d5be866d [1,0,0,0,0,0|2,0,1]=4 427 B10R0.60 C[C@@H](CO)CNCC(C)(C)C 0e18131bc94edae4f5d72ef8893c16e8 [1,0,0,0,0,0|2,0,1]=4 428 B10R0.60 C[C@@H](CO)CNCC(C)(C)O fbd2b4f077355acccbe6d558791755f5 [1,0,0,0,0,0|1,0,1]=3 429 B10R0.60 C[C@@H](CO)NCCC(C)(C)C 057779fad19cc6883bc7bc4d1c9fd5d7 [1,0,0,0,0,0|2,0,1]=4 430 B10R0.60 C[C@@H](CO)NCCC(C)(C)F 6f4ecd911ccc500b441f3593ce8f6c43 [1,0,0,0,0,0|2,0,1]=4 431 B10R0.60 C[C@@H](CO)NCCC(C)(C)O b4a675eaaca3f3a6503cb671395e2127 [1,0,0,0,0,0|1,0,1]=3 432 B10R0.60 C[C@H](C=O)NCCC(C)(C)C 8685ef4696ac186ad5a8bba785d47af7 [1,0,0,0,0,0|2,0,0]=3 433 B10R0.60 C[C@H](C=O)NCCC(C)(C)F 636634eebaa1a683889859ba0df34bb9 [1,0,0,0,0,0|2,0,0]=3 434 B10R0.60 C[C@H](C=O)NCCC(C)(C)O 9f5f6ae28ca99751a0bef661240485c5 [1,0,0,0,0,0|1,0,0]=2 435 B10R0.60 C[C@H](C=O)OCCC(C)(C)C edf428d8e01ea00613b38ca50e515ac4 [1,0,0,0,0,0|2,0,0]=3 436 B10R0.60 C[C@H](C=O)OCCC(C)(C)S fb143cbe0673a6be5f14be9665de521f [1,0,0,0,0,0|1,1,0]=3 437 B10R0.60 C[C@H](C=O)OCCC(C)(F)F 594b92c56eeddfedf0864e10bbb5e633 [1,0,0,0,0,0|3,0,0]=4 438 B10R0.60 C[C@H](CO)CNCC(C)(C)C d7c2d1e5e90ab3a23363ad9572d2f608 [1,0,0,0,0,0|2,0,1]=4 439 B10R0.60 C[C@H](CO)CNCC(C)(C)F 3e539a13294beca14fbbe353681dfdef [1,0,0,0,0,0|2,0,1]=4 440 B10R0.60 C[C@H](CO)CNCC(C)(C)O 2e0b042b6c9f3b9c40530cddf610c26d [1,0,0,0,0,0|1,0,1]=3 441 B10R0.60 C[C@H](CO)NCCC(C)(C)C 77cca1b29dcb6e7be05b3bac07457604 [1,0,0,0,0,0|2,0,1]=4 442 B10R0.60 C[C@H](CO)NCCC(C)(C)F b92b5bed202de498478a4fb4c76cd9fd [1,0,0,0,0,0|2,0,1]=4 443 B10R0.60 C[C@H](CO)NCCC(C)(C)O edbf8dc2c0c14e9f61f407b549a7e1e8 [1,0,0,0,0,0|1,0,1]=3 444 B10R0.60 C[C@H](CS)OCCC(C)(C)C 419c179fa4e5967d61d9911292256f72 [1,0,0,0,0,0|2,1,0]=4 445 B10R0.60 C[C@H](CS)OCCC(C)(C)O 0d1b55989002e52f09ae9c51318b931d [1,0,0,0,0,0|1,1,0]=3 446 B12R0.16 C=CCC(C)CNC(C)C(C)(C)C 939780068cfdb6bcf33b60a08171ae67 [0,1,0,0,0,0|3,0,0]=4 447 B12R0.16 C=CCC(C)CNC(C)C(C)(C)O 48afd04c9fd9ab1457c2e37f350a2d73 [0,1,0,0,0,0|2,0,0]=3 448 B12R0.16 C=CCC(C)CN[C@@H](C)C(C)(C)C 30d642fbb7a9bc53dc418ba9f54ce5e7 [0,1,0,0,0,0|3,0,0]=4 449 B12R0.16 C=CCC(C)CN[C@@H](C)C(C)(C)O 7512f3449ab0352b14e9c1fa6f3a38dc [0,1,0,0,0,0|2,0,0]=3 450 B12R0.16 C=CCC(C)CN[C@H](C)C(C)(C)C 2a835183551bd9d4c573caa19deab81a [0,1,0,0,0,0|3,0,0]=4 451 B12R0.16 C=CCC(C)CN[C@H](C)C(C)(C)O e8876d4fd7f28a37e136067febdb0585 [0,1,0,0,0,0|2,0,0]=3 452 B12R0.16 C=CCC(C)COC(C)C(C)(C)O 2effed5fa9ecd1237d73bd4b388916e9 [0,1,0,0,0,0|2,0,0]=3 453 B12R0.16 C=CCC(C)OCC(=O)C(C)(C)O 8fc245441ee63f7943b2b0785175c665 [0,1,0,0,0,0|2,0,1]=4 454 B12R0.16 C=CCC(O)CNC(C)C(C)(C)O 4d37e62184ab9e1584e9c5dd68a15702 [0,1,0,0,0,0|3,0,0]=4 455 B12R0.16 C=CC[C@@H](C)OCC(=O)C(C)(C)O 68bca85d56357622cd5556eb020ee21b [0,1,0,0,0,0|2,0,1]=4 456 B12R0.16 C=CC[C@H](C)OCC(=O)C(C)(C)O c2aefaf9f5bbf19d0bc2bc1afd63729b [0,1,0,0,0,0|2,0,1]=4 457 B12R0.16 CC(C)(O)C(O)CNC(=O)CC=O 70061186a4da939169d3f995fc13a2c7 [0,1,0,0,0,0|2,0,1]=4 458 B12R0.16 CC(C)(O)[C@@H](F)CNC(=O)CC=O 40a7d798eccb859869346d28e733cb6e [0,1,0,0,0,0|2,0,1]=4 459 B12R0.16 CC(C)(O)[C@H](F)CNC(=O)CC=O 8bccfa5b790a56766fe2a2d49e8da2bf [0,1,0,0,0,0|2,0,1]=4 460 B12R0.16 CC(CC#N)NCC(O)C(C)(C)O 5d8f443b2c6dd02e95142ce26481c8c9 [0,1,0,0,0,0|2,0,1]=4 461 B12R0.16 CC(CC#N)NC[C@@H](F)C(C)(C)O 288f71afbc4af400e253a75bb973b11f [0,1,0,0,0,0|2,0,1]=4 462 B12R0.16 CC(CC#N)NC[C@H](F)C(C)(C)O 93fa5a33c4e595fb0c568f10490d43b8 [0,1,0,0,0,0|2,0,1]=4 463 B12R0.16 CC(CCO)CNC(C)C(C)(C)O e493826e471330248c4c19c51651af50 [0,1,0,0,0,0|1,0,2]=4 464 B12R0.16 CC(CCO)NCC(O)C(C)(C)O e03558229ef0d48ea9243908b919ee46 [0,1,0,0,0,0|1,0,2]=4 465 B12R0.16 CC(CCO)NC[C@@H](F)C(C)(C)O 067b690a98a4b8d8da0839e6b07438ac [0,1,0,0,0,0|1,0,2]=4 466 B12R0.16 CC(CCO)NC[C@H](F)C(C)(C)O 71457757d312a93567b5bfa261046f81 [0,1,0,0,0,0|1,0,2]=4 467 B12R0.16 CCCC(C)CNC(C)C(C)(C)O 94145eb17dc7a4ef3ab78b79a87bf5b9 [0,1,0,0,0,0|2,0,1]=4 468 B12R0.16 CCCC(C)CN[C@@H](C)C(C)(C)O 45d58ba4961d6623ffc5964b57977a37 [0,1,0,0,0,0|2,0,1]=4 469 B12R0.16 CCCC(C)CN[C@H](C)C(C)(C)O 5bbf066b66ee38e1532ca1b9d03a699c [0,1,0,0,0,0|2,0,1]=4 470 B12R0.16 CCCC(C)COC(C)C(C)(C)O 2f7c0e72e082d93fc4d1312da65aa9f6 [0,1,0,0,0,0|2,0,1]=4 471 B12R0.16 CCCC(C)NCC(O)C(C)(C)O 21cfa7f8d1280949c2ab86afb9d2648b [0,1,0,0,0,0|2,0,1]=4 472 B12R0.16 CCCC(C)NC[C@@H](F)C(C)(C)O 407e5290c2823be3cb84fdedffdb15b7 [0,1,0,0,0,0|2,0,1]=4 473 B12R0.16 CCCC(C)NC[C@H](F)C(C)(C)O 5c7bb888f67cae8fad920d118db1f71c [0,1,0,0,0,0|2,0,1]=4 474 B12R0.16 COCC(C)NCC(O)C(C)(C)O 7dda25e6f70258c05e204da14d77a144 [0,1,0,0,0,0|3,0,0]=4 475 B12R0.16 COCC(C)NC[C@@H](F)C(C)(C)O 7498446a0e8742241b4faa7efd85cf34 [0,1,0,0,0,0|3,0,0]=4 476 B12R0.16 COCC(C)NC[C@H](F)C(C)(C)O fcefe9619253c8607a6b1546cb462b78 [0,1,0,0,0,0|3,0,0]=4 477 B12R0.66 CC(=O)CC(=O)NCCC(C)(C)O 9999d03f9ecec3ab8b32fb5215d6b8c3 [0,1,0,0,0,0|2,0,1]=4 478 B12R0.66 CC(=O)NC(C)COCC(C)(C)C 65370b931a010cf128de4e19e6e4c110 [0,1,0,0,0,0|3,0,0]=4 479 B12R0.66 CC(=O)NC(C)COCC(C)(C)F 5ebfac4b7dda4271ae0eced6735d2304 [0,1,0,0,0,0|3,0,0]=4 480 B12R0.66 CC(=O)NC(C)COCC(C)(C)O ecf3d7f2cda9caf30c6329b31f6d5586 [0,1,0,0,0,0|2,0,0]=3 481 B12R0.66 CC(=O)N[C@H](C)COCC(C)(C)C 87375e2ab964da56646554fe060bac09 [0,1,0,0,0,0|3,0,0]=4 482 B12R0.66 CC(=O)N[C@H](C)COCC(C)(C)F fd9414efa0e7ddcb2d70c1d3fedce884 [0,1,0,0,0,0|3,0,0]=4 483 B12R0.66 CC(=O)N[C@H](C)COCC(C)(C)O 995e2531768cb1e374a326547f1e25d0 [0,1,0,0,0,0|2,0,0]=3 484 B12R0.66 CC(=O)OC(C)NCCC(C)(C)C ca68ee9f8f6e6b682e88a3ce67ee0936 [0,1,0,0,0,0|3,0,0]=4 485 B12R0.66 CC(=O)OC(C)NCCC(C)(C)F 250119014c4dd35aaf653427c635fc9f [0,1,0,0,0,0|3,0,0]=4 486 B12R0.66 CC(=O)OC(C)NCCC(C)(C)O 0be409fe788ac37c04156f9d2169f55d [0,1,0,0,0,0|2,0,0]=3 487 B12R0.66 CC(=O)OC(C)OCCC(C)(C)C bbd0af8b44baa92d4c667f75c8eabf9a [0,1,0,0,0,0|3,0,0]=4 488 B12R0.66 CC(=O)OC(C)OCCC(C)(C)S d7da43764fba8eb561691a3529aee0ab [0,1,0,0,0,0|2,1,0]=4 489 B12R0.66 CC(C)(C)CNCC(O)CC(=O)O abc491467398a9deb5089489a8843382 [0,1,0,0,0,0|3,0,0]=4 490 B12R0.66 CC(C)(C)CNC[C@@H](O)CC(=O)O bcfd76a153ce5cc3de76f777e31af658 [0,1,0,0,0,0|3,0,0]=4 491 B12R0.66 CC(C)(C)CNC[C@H](O)CC(=O)O f8dc21fd011bfde5876c0a749676d3b9 [0,1,0,0,0,0|3,0,0]=4 492 B12R0.66 CC(C)(F)CNCC(O)CC(=O)O 6e3a9a14d3721fbb22679980a1537012 [0,1,0,0,0,0|3,0,0]=4 493 B12R0.66 CC(C)(F)CNC[C@@H](O)CC(=O)O a47448c3af51c5c2d2fa13f6ab09d0db [0,1,0,0,0,0|3,0,0]=4 494 B12R0.66 CC(C)(F)CNC[C@H](O)CC(=O)O ba9f720241a08eed2cb76c8ccda35464 [0,1,0,0,0,0|3,0,0]=4 495 B12R0.66 CC(C)(O)CCNC(=O)CC(=O)N b89155e4e3c756a6c7c43f4dcbc13bc6 [0,1,0,0,0,0|2,0,1]=4 496 B12R0.66 CC(C)(O)CNCC(=O)CC(=O)O a74f3217c966f3ccf6bb5fb23a027849 [0,1,0,0,0,0|2,0,1]=4 497 B12R0.66 CC(C)(O)CNCC(O)CC(=O)O 9d53fbc6adf09882065db2039e851447 [0,1,0,0,0,0|2,0,0]=3 498 B12R0.66 CC(C)(O)CNC[C@@H](O)CC(=O)O 4f14ab8347a8ed27e0936bfbe304d89a [0,1,0,0,0,0|2,0,0]=3 499 B12R0.66 CC(C)(O)CNC[C@H](O)CC(=O)O 7673e5cc1f6cf934ce88782cd17e0bd6 [0,1,0,0,0,0|2,0,0]=3 500 B12R0.66 CC(C)CC(C)COCC(C)(C)O efcb18a5343db03d29684a40c0129bd3 [0,1,0,0,0,0|2,0,1]=4 501 B12R0.66 CC(C)CC(C)NCCC(C)(C)O f4c3b1bbd9fc46808eb8ea983d14a2af [0,1,0,0,0,0|2,0,1]=4 502 B12R0.66 CC(C)CC(C)OCCC(C)(C)O fe7a7d9140814413a3f40484c831d51c [0,1,0,0,0,0|2,0,1]=4 503 B12R0.66 CC(C)CN(C)CCCC(C)(C)O 65811eb1e5484ad7a9fedb9838e15e8d [0,1,0,0,0,0|2,0,1]=4 504 B12R0.66 CC(C)C[C@@H](C)OCCC(C)(C)O 27c28a3ba8ee7e851c333fa56aa564e1 [0,1,0,0,0,0|2,0,1]=4 505 B12R0.66 CC(C)C[C@H](C)OCCC(C)(C)O 94d478d4a33c97492c82f549d9644133 [0,1,0,0,0,0|2,0,1]=4 506 B12R0.66 CC(CC(=O)N)OCCC(C)(C)C cffa6e98eaf72323e484191afc5982f7 [0,1,0,0,0,0|2,0,0]=3 507 B12R0.66 CC(CC(=O)N)OCCC(C)(C)O 0bc814866590907ae31d71ed2fd7af56 [0,1,0,0,0,0|1,0,0]=2 508 B12R0.66 CC(CC(=O)N)OCCC(C)(F)F 20895959eff0176d8c12d1268b4ec4ce [0,1,0,0,0,0|3,0,0]=4 509 B12R0.66 CC(CC(=O)O)NCCC(C)(C)C 95d85767d91afd0bee0ca6b12a55ba57 [0,1,0,0,0,0|2,0,0]=3 510 B12R0.66 CC(CC(=O)O)NCCC(C)(C)F 17f71eb2ac901621227ffa104c4b3ede [0,1,0,0,0,0|2,0,0]=3 511 B12R0.66 CC(CC(=O)O)NCCC(C)(C)O e951276bf2d78c41bd9a59f42dd3acaa [0,1,0,0,0,0|1,0,0]=2 512 B12R0.66 CC(CC(=O)O)NCCC(C)(F)F f316eb1953cdb420600f1abf536e3396 [0,1,0,0,0,0|3,0,0]=4 513 B12R0.66 CC(CC(=O)O)OCCC(C)(C)C 2781d061173df23494a65fbf2fa42293 [0,1,0,0,0,0|2,0,0]=3 514 B12R0.66 CC(CC(=O)O)OCCC(C)(C)O cb59e4e13968ad0bf5739a3c9895267b [0,1,0,0,0,0|1,0,0]=2 515 B12R0.66 CC(CC(=O)O)OCCC(C)(C)S acfd969a8372a852cb6205430ec20abc [0,1,0,0,0,0|1,1,0]=3 516 B12R0.66 CC(CC(=O)O)OCCC(C)(F)F b6d27d316b1cd940723a4a42e5f7ea40 [0,1,0,0,0,0|3,0,0]=4 517 B12R0.66 CC(CCNC(C)(C)C)CC(=O)O 62710f259de3ca2253306127890fcd26 [0,1,0,0,0,0|2,0,0]=3 518 B12R0.66 CC(CN(C)C)NCCC(C)(C)O bfd7fd2c9e3e0a9f5a5eedbd050b4d61 [0,1,0,0,0,0|3,0,0]=4 519 B12R0.66 CC(CN(C)C)OCCC(C)(C)O cf5f4aa6bf2d7e26acfe50dd12542608 [0,1,0,0,0,0|3,0,0]=4 520 B12R0.66 CC(CNCC(C)(C)O)CN(C)C c9dbdd78c4e677901f756b5b68aa9f56 [0,1,0,0,0,0|3,0,0]=4 521 B12R0.66 CC(COCC(C)(C)O)CN(C)C b195c19e2f19ae040e8f96ae93939c89 [0,1,0,0,0,0|3,0,0]=4 522 B12R0.66 CC(C[N+](=O)[O-])OCCC(C)(C)C 1af9e4473ff3812029256b1c76ac8d74 [0,1,0,0,0,0|3,0,0]=4 523 B12R0.66 CC(C[N+](=O)[O-])OCCC(C)(C)O 45dfeae05359fb77f36b217eb10943ba [0,1,0,0,0,0|2,0,0]=3 524 B12R0.66 CC(O)CC(C)NCCC(C)(C)O 0b86a0d0ada0bef9c29f20504451e3ea [0,1,0,0,0,0|1,0,2]=4 525 B12R0.66 CC(O)CN(C)CCCC(C)(C)O 2fbae1f42fd5bc365c2169d9f93688ba [0,1,0,0,0,0|1,0,2]=4 526 B12R0.66 CN(CCCC(C)(C)O)CC(=O)N ee4bace1a3655d78d46e510c63c2f321 [0,1,0,0,0,0|1,0,0]=2 527 B12R0.66 CN(CCCC(C)(C)O)CC(=O)O 1ce1e8e59cff28b446db6005a2b728ad [0,1,0,0,0,0|1,0,0]=2 528 B12R0.66 CN(CCCC(C)(C)O)CC(F)F e69920ebf02d6eb687b708e477eaf76c [0,1,0,0,0,0|2,0,1]=4 529 B12R0.66 CN(CCCC(C)(F)F)CC(=O)N a3898c3f394ed11ce1d718b87e4c690a [0,1,0,0,0,0|3,0,0]=4 530 B12R0.66 CN(CCCC(C)(F)F)CC(=O)O e8da5dcc60496f92073c0171d0daee80 [0,1,0,0,0,0|3,0,0]=4 531 B12R0.66 CN(CCOC(C)(C)C)CC(=O)N 66d5d2250d37f52ca7ca6af0b554b670 [0,1,0,0,0,0|3,0,0]=4 532 B12R0.66 CN(CCOC(C)(C)C)CC(=O)O b222cbeff439de1bb27bd4370a52c148 [0,1,0,0,0,0|3,0,0]=4 533 B12R0.66 CN(CCSC(C)(C)C)CC(=O)N 5404ec471efbbad9f4bf811c147507a4 [0,1,0,0,0,0|3,0,0]=4 534 B12R0.66 CN(CCSC(C)(C)C)CC(=O)O c08a363510ca031027d3924841abc3db [0,1,0,0,0,0|3,0,0]=4 535 B12R0.66 C[C@@H](CC(=O)O)NCCC(C)(C)C 4b8172eae70a9a0472e5ebddf32f5cca [0,1,0,0,0,0|2,0,0]=3 536 B12R0.66 C[C@@H](CC(=O)O)NCCC(C)(C)O 8dcc0066055eb3e71e1350748325945e [0,1,0,0,0,0|1,0,0]=2 537 B12R0.66 C[C@@H](CC(=O)O)NCCC(C)(F)F 51b8cdeb1df52a7a9aba658aece4424e [0,1,0,0,0,0|3,0,0]=4 538 B12R0.66 C[C@@H](CC(=O)O)OCCC(C)(C)C 617cbc6499a8f7cff961662beab02ea7 [0,1,0,0,0,0|2,0,0]=3 539 B12R0.66 C[C@@H](CC(=O)O)OCCC(C)(C)O 2dd1ec3128a2618b4c9d7a8add5c17e6 [0,1,0,0,0,0|1,0,0]=2 540 B12R0.66 C[C@@H](CC(=O)O)OCCC(C)(F)F 25cf68b43808a024bd7325cccd533e06 [0,1,0,0,0,0|3,0,0]=4 541 B12R0.66 C[C@@H](CN(C)C)NCCC(C)(C)O 034f461ff42b2f327bec253e0b97a649 [0,1,0,0,0,0|3,0,0]=4 542 B12R0.66 C[C@@H](CN(C)C)OCCC(C)(C)O 6208ca0674043e8a4e212c33256fee91 [0,1,0,0,0,0|3,0,0]=4 543 B12R0.66 C[C@@H](COCC(C)(C)O)CN(C)C e458e0e98e50b4e1802a0d5289f96a9e [0,1,0,0,0,0|3,0,0]=4 544 B12R0.66 C[C@H](CC(=O)O)NCCC(C)(C)C 26c915be61299045aaaa8e9aa883716e [0,1,0,0,0,0|2,0,0]=3 545 B12R0.66 C[C@H](CC(=O)O)NCCC(C)(C)O 76b55ddf948c7c13df9ac6cc717badb8 [0,1,0,0,0,0|1,0,0]=2 546 B12R0.66 C[C@H](CC(=O)O)NCCC(C)(F)F 0f6c5f5a06a0ba6b82be4952f935b446 [0,1,0,0,0,0|3,0,0]=4 547 B12R0.66 C[C@H](CC(=O)O)OCCC(C)(C)C b5d48fe70a9feac2318291bcefcc9383 [0,1,0,0,0,0|2,0,0]=3 548 B12R0.66 C[C@H](CC(=O)O)OCCC(C)(C)O 6ddb81587f1838b8128172d5fb68b906 [0,1,0,0,0,0|1,0,0]=2 549 B12R0.66 C[C@H](CC(=O)O)OCCC(C)(F)F c7ffea99da73b8989c7e5b6f6e73cfec [0,1,0,0,0,0|3,0,0]=4 550 B12R0.66 C[C@H](CN(C)C)NCCC(C)(C)O 7010d3a13d191ad194793205550ade01 [0,1,0,0,0,0|3,0,0]=4 551 B12R0.66 C[C@H](CN(C)C)OCCC(C)(C)O d21412280394c76ebb1a142bf967785f [0,1,0,0,0,0|3,0,0]=4 552 B12R0.66 C[C@H](COCC(C)(C)O)CN(C)C 2ca5d24d14d06eb317006e3f86fac5b1 [0,1,0,0,0,0|3,0,0]=4 553 B12R0.66 C[C@H](O)CN(C)CCCC(C)(C)O 329e2edeedd0ad0cc11859d411e05442 [0,1,0,0,0,0|1,0,2]=4 554 B12R0.78 C#CCN(C)CC(O)CC(C)(C)O c48b2a2a67315a9bcae49d9c7aeec23d [0,1,0,0,0,0|2,0,1]=4 555 B12R0.78 C=CCC(C)CN(C)CC(C)(C)C 84b1df4b0db3dab3551c73be03fd79b3 [0,1,0,0,0,0|3,0,0]=4 556 B12R0.78 C=CCC(C)CN(C)CC(C)(C)O 84577ba582e86438b13208bba596319d [0,1,0,0,0,0|2,0,0]=3 557 B12R0.78 C=CCN(C)CC(O)CC(C)(C)O 5be2b641877a1ac3ff52189cd459beb0 [0,1,0,0,0,0|2,0,0]=3 558 B12R0.78 CCCC(C)CN(C)CC(C)(C)O 7950158e1744fbacc48863c1b93aec85 [0,1,0,0,0,0|2,0,1]=4 559 B12R0.78 CCCN(C)CC(O)CC(C)(C)O a8288832a2abb075709db161da36da73 [0,1,0,0,0,0|2,0,1]=4 560 B12R0.78 CN(CC#N)CC(O)CC(C)(C)O f032bb3409b2fd0185871bf03758bfe7 [0,1,0,0,0,0|2,0,1]=4 561 B12R0.78 CN(CCF)CC(O)CC(C)(C)O f98b9b20ae606edb47ef75d415a22fa3 [0,1,0,0,0,0|2,0,1]=4 562 B12R0.78 CN(CCO)CC(O)CC(C)(C)O 0d06523af796030a00024b3cc7fe385b [0,1,0,0,0,0|1,0,2]=4 563 B12R0.90 C=C[C@@H](C)[C@@H](C)OCCC(C)(C)C 6adaf2d370b88d00d08cc6bcd51d8035 [0,1,0,0,0,0|3,0,0]=4 564 B12R0.90 C=C[C@@H](C)[C@@H](C)OCCC(C)(C)O 28d754393a4cdf8184d6c4b626e6abb6 [0,1,0,0,0,0|2,0,0]=3 565 B12R0.90 C=C[C@@H](C)[C@H](C)OCCC(C)(C)C 64972c4f732d18177931a2c560410067 [0,1,0,0,0,0|3,0,0]=4 566 B12R0.90 C=C[C@@H](C)[C@H](C)OCCC(C)(C)O 00840c99983649fe0dffa28def33370d [0,1,0,0,0,0|2,0,0]=3 567 B12R0.90 C=C[C@H](C)[C@@H](C)OCCC(C)(C)C f811ef28dd45234080108c1b092b28a1 [0,1,0,0,0,0|3,0,0]=4 568 B12R0.90 C=C[C@H](C)[C@@H](C)OCCC(C)(C)O 904554acd359489c3afd47ab938591f6 [0,1,0,0,0,0|2,0,0]=3 569 B12R0.90 C=C[C@H](C)[C@H](C)OCCC(C)(C)C b6b983930ff99fec5b77ecf575a669ef [0,1,0,0,0,0|3,0,0]=4 570 B12R0.90 C=C[C@H](C)[C@H](C)OCCC(C)(C)O a6836f353bf5ec6ea102ee2beef114b6 [0,1,0,0,0,0|2,0,0]=3 571 B12R0.90 CC(CO)N(C)CCCC(C)(C)O 33f28a782e676ecd1dd7c362c502b44a [0,1,0,0,0,0|1,0,2]=4 572 B12R0.90 CCC(C)C(C)NCCC(C)(C)O e1f2ac239b877577fa3232dc83384870 [0,1,0,0,0,0|2,0,1]=4 573 B12R0.90 CCC(C)C(C)OCCC(C)(C)O 7a7fb60ddbab43ce2be98f3788170d48 [0,1,0,0,0,0|2,0,1]=4 574 B12R0.90 CCC(C)N(C)CCCC(C)(C)O ea79928bb391671f0265a389daa46f9d [0,1,0,0,0,0|2,0,1]=4 575 B12R0.90 CCC(S)C(C)COCC(C)(C)O 4e42c716c0538d8d5a4d280a4314ccaa [0,1,0,0,0,0|2,0,1]=4 576 B12R0.90 COC(C)C(C)OCCC(C)(C)O d7971cdeecfc896ceea16633637a5eef [0,1,0,0,0,0|3,0,0]=4 577 B12R0.90 C[C@@H](CO)N(C)CCCC(C)(C)O d98a98e4436f44506fa3b91f0cce0a3a [0,1,0,0,0,0|1,0,2]=4 578 B12R0.90 C[C@H](CO)N(C)CCCC(C)(C)O 21b4b2784a0b159c6d1534898e1a46bd [0,1,0,0,0,0|1,0,2]=4 579 B12R0.104 C#CCCN(C)CCCC(C)(C)O 544bdfd75e6d04ee281f236cfcf2e759 [0,1,0,0,0,0|2,0,1]=4 580 B12R0.104 C=CCCC(C)NCCC(C)(C)C 7949ba9e048340df8377338ab32b3724 [0,1,0,0,0,0|3,0,0]=4 581 B12R0.104 C=CCCC(C)NCCC(C)(C)F 740cfd73992773b16bf9fc433baad857 [0,1,0,0,0,0|3,0,0]=4 582 B12R0.104 C=CCCC(C)NCCC(C)(C)O 215033557cea1eb2bebfe577d252a42a [0,1,0,0,0,0|2,0,0]=3 583 B12R0.104 C=CCCC(C)OCCC(C)(C)C 0a08ba94ccde91a2adf50018c6b9f354 [0,1,0,0,0,0|3,0,0]=4 584 B12R0.104 C=CCCC(C)OCCC(C)(C)O c5b2610785aa4e855fb05be7a6a38baf [0,1,0,0,0,0|2,0,0]=3 585 B12R0.104 C=CCCC(C)OCCC(C)(C)S 3942ce9ff25e56c1d1d20768f5ede283 [0,1,0,0,0,0|2,1,0]=4 586 B12R0.104 C=CCCC(O)CNCC(C)(C)O 3ef78f35ea6dfb2f36182e535c382e1c [0,1,0,0,0,0|3,0,0]=4 587 B12R0.104 C=CCCN(C)CCCC(C)(C)O 059b10f75b2d8fcd8fd3963432568e04 [0,1,0,0,0,0|2,0,0]=3 588 B12R0.104 C=CCC[C@@H](C)OCCC(C)(C)C 031b1321a2decbf35b264b027ee7aba5 [0,1,0,0,0,0|3,0,0]=4 589 B12R0.104 C=CCC[C@@H](C)OCCC(C)(C)O e229cf6370a4b1743cf0ac1947ffe5f4 [0,1,0,0,0,0|2,0,0]=3 590 B12R0.104 C=CCC[C@@H](O)CNCC(C)(C)O 296dc68dbb93e178fb054aee067769be [0,1,0,0,0,0|3,0,0]=4 591 B12R0.104 CC(C)(O)CCNC(=O)CCC=O e2842b08cf2a55a84ee4f307f5d31ff9 [0,1,0,0,0,0|2,0,1]=4 592 B12R0.104 CC(C)(O)CCNC(=O)CNC=O 3f7522a78546da251fb210dbab0b3c82 [0,1,0,0,0,0|2,0,1]=4 593 B12R0.104 CC(CCC#N)NCCC(C)(C)O 8c050c1aaa3913b5e1e65090ca11f8b2 [0,1,0,0,0,0|2,0,1]=4 594 B12R0.104 CC(CCCO)NCCC(C)(C)O 18b91a3e6b81c2c999dda229158e73ce [0,1,0,0,0,0|1,0,2]=4 595 B12R0.104 CCCCC(C)COCC(C)(C)O cce76d792412e404d2ca79278ca410d4 [0,1,0,0,0,0|2,0,1]=4 596 B12R0.104 CCCCC(C)NCCC(C)(C)O e476afd59b055239df046fd3266ca3de [0,1,0,0,0,0|2,0,1]=4 597 B12R0.104 CCCCC(C)OCCC(C)(C)O 74f2468bfae219cfd8c41b6278979ff5 [0,1,0,0,0,0|2,0,1]=4 598 B12R0.104 CCCCN(C)CCCC(C)(C)O 10132dc0ee4e4b4e89f1acaeaddd3fc7 [0,1,0,0,0,0|2,0,1]=4 599 B12R0.104 CCCC[C@@H](C)NCCC(C)(C)O e6b09988fe1a7fcab9db996d50d1290f [0,1,0,0,0,0|2,0,1]=4 600 B12R0.104 CCCC[C@@H](C)OCCC(C)(C)O dcc954c71bbb70533b108bbfc24bc160 [0,1,0,0,0,0|2,0,1]=4 601 B12R0.104 CCCC[C@H](C)OCCC(C)(C)O bd5b37eeef591ab5d780692412c05cf5 [0,1,0,0,0,0|2,0,1]=4 602 B12R0.104 CCOCC(C)OCCC(C)(C)O 1e95850f06e4535a59ee6a58019aac51 [0,1,0,0,0,0|2,0,1]=4 603 B12R0.104 CN(CCC#N)CCCC(C)(C)O 0551c1e79bda5a14794a6caab38c47c2 [0,1,0,0,0,0|2,0,1]=4 604 B12R0.104 CN(CCCC(C)(C)O)CCON cabf518d979a12f44c224c20edf73008 [0,1,0,0,0,0|1,0,2]=4 605 B12R0.104 CN(CCCO)CCCC(C)(C)O a53f0c6bf81e295b2b85329d0162e808 [0,1,0,0,0,0|1,0,2]=4 606 B12R0.104 COCCC(C)OCCC(C)(C)O 8bed342507edcf3ad5a86bd203de3c72 [0,1,0,0,0,0|1,0,2]=4 607 B12R0.104 COCCN(C)CCCC(C)(C)O b48c98613744403a95fe90d0e7abfcdd [0,1,0,0,0,0|1,0,2]=4 608 B12R0.104 COCO[C@H](C)COCC(C)(C)O 3fdc4f8faac28f8c28d4533c5f199806 [0,1,0,0,0,0|3,0,0]=4 609 B12R0.104 CSCCC(C)OCCC(C)(C)O cf613de61d5b04f34512b42815a03633 [0,1,0,0,0,0|1,1,1]=4 610 B12R0.104 CSCCN(C)CCCC(C)(C)O b73a9848c9b261e417b52bf7e46647af [0,1,0,0,0,0|1,1,1]=4 611 B12R0.104 C[C@H](CCCO)CNCC(C)(C)O 541eefb0fac8c650a1781b69e8b8ef5a [0,1,0,0,0,0|1,0,2]=4 612 B12R0.104 C[C@H](CCCO)NCCC(C)(C)O d7bd615fb2cf738f790175341c26c95d [0,1,0,0,0,0|1,0,2]=4 613 B12R0.177 C=CCC(C)(C)COCC(C)(C)C ab2fa5e8cc955247e2b241af0fc26452 [0,1,0,0,0,0|3,0,0]=4 614 B12R0.177 C=CCC(C)(C)COCC(C)(C)F a62756b15aa109c5be4cd0bec529053a [0,1,0,0,0,0|3,0,0]=4 615 B12R0.177 C=CCC(C)(C)COCC(C)(C)O c99290aa64577b7e0182eecdadffbacd [0,1,0,0,0,0|2,0,0]=3 616 B12R0.177 CC(C)(C)COCC(C)(C)NC=O c2b270e0e07fa4aa6089331516a45b5f [0,1,0,0,0,0|3,0,0]=4 617 B12R0.177 CC(C)(F)COCC(C)(C)NC=O c7fb85c504b03f429356e5d8305e11ee [0,1,0,0,0,0|3,0,0]=4 618 B12R0.177 CC(C)(O)CCNC(C)(C)CCO 11bec2a079f94a693a3b298b3928e40a [0,1,0,0,0,0|1,0,2]=4 619 B12R0.177 CC(C)(O)COCC(C)(C)CC#N 8598988835db1d89728712d2f0e7a89e [0,1,0,0,0,0|2,0,1]=4 620 B12R0.177 CC(C)(O)COCC(C)(C)NC=O 082d0b9154f62b5af11726f9d3f0f623 [0,1,0,0,0,0|2,0,0]=3 621 B12R0.177 CCCC(C)(O)CNCC(C)(C)O f7d28434d29647c0691812cf09e78235 [0,1,0,0,0,0|2,0,1]=4 622 B12R0.177 COCC(C)(C)COCC(C)(C)O 029ec7d07b49ebc93881471aa1783d7e [0,1,0,0,0,0|3,0,0]=4 623 B12R0.177 COCC(C)(C)NCCC(C)(C)O 25e26dcf0944a6e18d8416f0559fe04a [0,1,0,0,0,0|3,0,0]=4 624 B12R0.177 COCC(C)(O)CNCC(C)(C)O 6920016b5fac8e1223fd354fca379d8b [0,1,0,0,0,0|3,0,0]=4 625 B12R0.177 CSCC(C)(C)NCCC(C)(C)O 24f2ba0e4e659514d7588f1dfcec5649 [0,1,0,0,0,0|3,0,0]=4 626 B12R0.178 CC(CC#N)N(C)CCC(C)(C)O 51487ae909063ed796b779392f62df15 [0,1,0,0,0,0|2,0,1]=4 627 B12R0.178 CC(CCO)N(C)CCC(C)(C)O 917576946a2538fb0a9c072b47a3537d [0,1,0,0,0,0|1,0,2]=4 628 B12R0.178 CC(NC=O)C(=O)NCC(C)(C)O 7d0afcde88e3ded0d5c93e4efb9fda71 [0,1,0,0,0,0|2,0,1]=4 629 B12R0.178 CCCC(C)N(C)CCC(C)(C)O 64d783ee9a7828a8a91ab911a414a2e9 [0,1,0,0,0,0|2,0,1]=4 630 B12R0.178 CN(CCC(C)(C)O)C(=O)CC=O 4ae13d5782ed154af0cc203f316fc191 [0,1,0,0,0,0|2,0,1]=4 631 B12R0.178 COCC(C)N(C)CCC(C)(C)O 797bc21ade9ebae371ed5a17a3ec463f [0,1,0,0,0,0|3,0,0]=4 632 B12R0.178 C[C@@H](CCO)N(C)CCC(C)(C)O bc6729e8c1a5293a225780cad51dc227 [0,1,0,0,0,0|1,0,2]=4 633 B12R0.178 C[C@H](NC=O)C(=O)NCC(C)(C)O 6d875f5238cdce6438af6c67a5c677b3 [0,1,0,0,0,0|2,0,1]=4 634 B12R0.230 C#CCC(CC)OCCC(C)(C)O e70ad10ed4922606f9aeeba2ba6c673c [0,1,0,0,0,0|2,0,1]=4 635 B12R0.230 C=CCC(C=C)OCCC(C)(C)O 98ba880ff0aa8313560d7890aac4e816 [0,1,0,0,0,0|2,0,1]=4 636 B12R0.230 C=CCN(C#N)CCCC(C)(C)O 8d29f048d1c7bf70172b7f2fcb5b3345 [0,1,0,0,0,0|2,0,1]=4 637 B12R0.230 CC(C)(O)CCCN(CO)CCO 7c6a16525b684f5c4e3d43ec6c3edb23 [0,1,0,0,0,0|1,0,2]=4 638 B12R0.230 CC(C)(O)CCNC(CO)CCO a67e53cc0d3241b5885864a39fd22187 [0,1,0,0,0,0|1,0,2]=4 639 B12R0.230 CC(C)(O)CCN[C@@H](CO)CCO 3437ba498d4b687d96c904e8807cede4 [0,1,0,0,0,0|1,0,2]=4 640 B12R0.230 CC(C)(O)CCOC(CBr)CCBr d3ba59cca3498da9b9e2977a5e34de17 [0,1,0,0,0,0|2,0,1]=4 641 B12R0.230 CC(C)(O)CCOC(CCl)CCCl 3be4e71a4450bc3c280d84bfffb7df3e [0,1,0,0,0,0|2,0,1]=4 642 B12R0.230 CCC(CC#N)NCCC(C)(C)O 1cea40b0d36b32088c5e5ba11f3f6dd8 [0,1,0,0,0,0|2,0,1]=4 643 B12R0.230 CCC(CC#N)OCCC(C)(C)O 65ca81a85f0fa0e6ab588f80f43632cb [0,1,0,0,0,0|2,0,1]=4 644 B12R0.230 CCC(COC)NCCC(C)(C)O f4f277ad1ae091859786c25683cb7896 [0,1,0,0,0,0|3,0,0]=4 645 B12R0.230 CCC(COC)OCCC(C)(C)O d81cf1c12a403fdcc8b584a0ff9bd519 [0,1,0,0,0,0|3,0,0]=4 646 B12R0.230 CCC(CSC)OCCC(C)(C)O 2d69b89ea9a5c3e5113c466182919cbc [0,1,0,0,0,0|3,0,0]=4 647 B12R0.230 CCCC(CC)COCC(C)(C)O 72a9f033f43e5bb090bd685ae4b60b91 [0,1,0,0,0,0|2,0,1]=4 648 B12R0.230 CCCC(CC)NCCC(C)(C)O 79653f0ddc99a91195afe51ba845575d [0,1,0,0,0,0|2,0,1]=4 649 B12R0.230 CCCC(CC)OCCC(C)(C)O c3ebba5c3bb560daa3d79a76dc89add4 [0,1,0,0,0,0|2,0,1]=4 650 B12R0.230 CCCC(CO)NCCC(C)(C)O 8f9aafdfea7e30ef4e6e27e30d2dac93 [0,1,0,0,0,0|2,0,1]=4 651 B12R0.230 CCCN(CC)CCCC(C)(C)O 50cc9464a25e725c2f8fa93af2cc4543 [0,1,0,0,0,0|2,0,1]=4 652 B12R0.230 CCC[C@@H](CC)OCCC(C)(C)O e8cfdad14318ef144da6ba33da0b181b [0,1,0,0,0,0|2,0,1]=4 653 B12R0.230 CCC[C@@H](CO)NCCC(C)(C)O 5a5a55bede779b7dbc7b57558800b750 [0,1,0,0,0,0|2,0,1]=4 654 B12R0.230 CCC[C@H](CO)NCCC(C)(C)O d2eb465b236b569eeff406839204b660 [0,1,0,0,0,0|2,0,1]=4 655 B12R0.230 CCN(CC#N)CCCC(C)(C)O 3cc43575a11b74916ef7b5e104ebafbc [0,1,0,0,0,0|2,0,1]=4 656 B12R0.230 CCN(CCCl)CCCC(C)(C)O 66e6eb71e0c99c5443ab4d2d4a00f6c0 [0,1,0,0,0,0|2,0,1]=4 657 B12R0.230 CCN(CCO)CCCC(C)(C)O b1fc1d96a801a7798913d7555df58104 [0,1,0,0,0,0|1,0,2]=4 658 B12R0.230 CC[C@@H](CC#N)NCCC(C)(C)O 475e7deca8e7e29bde19b57bdc7fcd5c [0,1,0,0,0,0|2,0,1]=4 659 B12R0.230 CC[C@H](CC#N)NCCC(C)(C)O 1c7891ff54a988f1f0eb770921460781 [0,1,0,0,0,0|2,0,1]=4 660 B12R0.230 CC[C@H](CC#N)OCCC(C)(C)O 32f52c51bdd24410c05f4cd13fe6c061 [0,1,0,0,0,0|2,0,1]=4 661 B12R0.230 COCC(CO)NCCC(C)(C)O 95f81a4a9b9eff79a95db925858d4df6 [0,1,0,0,0,0|3,0,0]=4 662 B12R0.230 CSCC(CO)NCCC(C)(C)O d933252bf10448510eea5ff6232ac033 [0,1,0,0,0,0|3,0,0]=4 663 B12R0.573 C#CC(C)(C)COCC(C)CC=C 27c30b69a2ba532b8cdc71833cd1ef21 [0,1,0,0,0,0|3,0,0]=4 664 B12R0.573 C=CCC(C)CNCC(C)(C)C#N 973aa653ae191f42be6ff0dda96c3f60 [0,1,0,0,0,0|3,0,0]=4 665 B12R0.573 C=CCC(C)CNCC(C)(C)CC e88e7d301b9cfcc581510ae028336359 [0,1,0,0,0,0|3,0,0]=4 666 B12R0.573 C=CCC(C)CNCC(C)(C)CF a26db910e61bc3b20b7076a0f3f602c8 [0,1,0,0,0,0|3,0,0]=4 667 B12R0.573 C=CCC(C)CNCC(C)(C)CO 4dcc798fdd448b42842a2e7d3aa20377 [0,1,0,0,0,0|2,0,0]=3 668 B12R0.573 C=CCC(C)CNCC(C)(C)OC 25535ed16141df96da656832c7367650 [0,1,0,0,0,0|2,0,0]=3 669 B12R0.573 C=CCC(C)CNCC(C)(O)CC e0601f2367f696ea779cdc0495287e4b [0,1,0,0,0,0|2,0,0]=3 670 B12R0.573 C=CCC(C)COCC(C)(C)C#N e6b517c9c9a87b52f7c59eb86226519c [0,1,0,0,0,0|3,0,0]=4 671 B12R0.573 C=CCC(C)COCC(C)(C)C=C deebfab2098a786c289cbdbcfc856701 [0,1,0,0,0,0|3,0,0]=4 672 B12R0.573 C=CCC(C)COCC(C)(C)C=O 19464c121f878360436c2a37b7697120 [0,1,0,0,0,0|2,0,1]=4 673 B12R0.573 C=CCC(C)COCC(C)(C)CF e84f50a90d43a0ef2011bd6cfaf6ea76 [0,1,0,0,0,0|3,0,0]=4 674 B12R0.573 C=CCC(C)COCC(C)(C)OC c82203a99b1aab8817083c492259e671 [0,1,0,0,0,0|2,0,0]=3 675 B12R0.573 C=CCC(C)OCCC(C)(C)CC 26e9098582dcf5857406802615df77bb [0,1,0,0,0,0|3,0,0]=4 676 B12R0.573 C=CCC(O)CNCC(C)(C)CO 6bfcacb19a67503c708ab4ee1e81ade8 [0,1,0,0,0,0|3,0,0]=4 677 B12R0.573 C=CCC(O)CNCC(C)(C)OC 477c85d24ce1a31f60a0adc0f8126ab5 [0,1,0,0,0,0|3,0,0]=4 678 B12R0.573 C=CCN(C)CCCC(C)(C)C#N 0424563c6a4dff0d3d3d2bd45072b7cc [0,1,0,0,0,0|3,0,0]=4 679 B12R0.573 C=CCN(C)CCCC(C)(C)C=O 5dde21bcfd2b0ec2a604142763aa258f [0,1,0,0,0,0|2,0,1]=4 680 B12R0.573 C=CC[C@@H](C)OCCC(C)(C)CC 328daea27bf28e9a4e701a7ede381f43 [0,1,0,0,0,0|3,0,0]=4 681 B12R0.573 C=CC[C@H](C)OCCC(C)(C)CC 2537c2d62313f53434c93ff09546e9b1 [0,1,0,0,0,0|3,0,0]=4 682 B12R0.573 CC(CCO)CNCC(C)(C)CO f31fc0e35ecc60d0206b5731a0aa1977 [0,1,0,0,0,0|1,0,2]=4 683 B12R0.573 CCCC(C)CNCC(C)(C)CO 413c7ce09586d111211ea56525ee191b [0,1,0,0,0,0|2,0,1]=4 684 B12R0.573 CCCC(C)CNCC(C)(C)OC 6b2f7f64110b786fffaf7d46f4e1fbfe [0,1,0,0,0,0|2,0,1]=4 685 B12R0.573 CCCC(C)CNCC(C)(O)CC d104a0a4e24792a85fdb072e9f4a4d84 [0,1,0,0,0,0|2,0,1]=4 686 B12R0.573 CCCC(C)COCC(C)(C)OC 3b44a3b8aeabd59d8c065aa3c58491c4 [0,1,0,0,0,0|2,0,1]=4 687 B12R0.573 CCCC(C)NCCC(C)(C)OC 6a455b2d77700efdb92b94ee725fecaa [0,1,0,0,0,0|2,0,1]=4 688 B12R0.573 CCCC(C)OCCC(C)(C)OC b5101a09cec1d0c2b63af5a2eaf609a5 [0,1,0,0,0,0|2,0,1]=4 689 B12R0.573 COC(C)(C)CCNC(=O)CC=O 8f68e457fe7168383efdad614440c321 [0,1,0,0,0,0|2,0,1]=4 690 B12R0.573 COC(C)(C)CCNC(C)CC#N 4b4725e4d5819069840e23a5e1e4d827 [0,1,0,0,0,0|2,0,1]=4 691 B12R0.573 COC(C)(C)CCNC(C)CCO ca33e4f9ecff98485eae8776c5f1097d [0,1,0,0,0,0|1,0,2]=4 692 B12R0.573 COC(C)(C)CCOC(C)CC#N e77bffe918ed195a180a347e6c6dab47 [0,1,0,0,0,0|2,0,1]=4 693 B12R0.573 COC(C)(C)CNCC(C)CCO 880337fe3f31e5bdfb203520bc1007dc [0,1,0,0,0,0|1,0,2]=4 694 B12R0.573 COCC(C)NCCC(C)(C)OC d88af8c3065f9dc1057231c10c7d16ec [0,1,0,0,0,0|3,0,0]=4 695 B12R0.573 COCC(C)OCCC(C)(C)OC 74a80585a0fd21852f9dc0186f07a1e1 [0,1,0,0,0,0|3,0,0]=4 696 B12R1.119 CC1CCCN(C1)CC(C)(C)O 2532f61d7788841bebe95684fa0467cb [0,0,0,1,0,0|2,0,1]=4 697 B12R1.119 C[C@@H]1CCCN(C1)CC(C)(C)O 1bcbc4965601c824b071bf33808e203b [0,0,0,1,0,0|2,0,1]=4 698 B12R1.119 C[C@H]1CCCN(C1)CC(C)(C)O ff9a9a237493aeb028d2622f25a4614e [0,0,0,1,0,0|2,0,1]=4 699 B12R1.129 CC1CCCC1OCC(C)(C)O 6a0d0ea8ca2342439c48ab19d3cc6392 [0,0,0,1,0,0|2,0,1]=4 700 B12R1.129 CC1CCCN1CCC(C)(C)O a02968e034aec6984958cff00a50c06e [0,0,0,1,0,0|2,0,1]=4 701 B12R1.129 CC1COCC1OCC(C)(C)O 516f9b6902c297ecdd556b202b8e8276 [0,0,0,1,0,0|3,0,0]=4 702 B12R1.129 C[C@@H]1CCCN1CCC(C)(C)O 9b29aa1fa31f8fdd4a3d0e3b96e95d3f [0,0,0,1,0,0|2,0,1]=4 703 B12R1.129 C[C@@H]1CCC[C@@H]1OCC(C)(C)O 3a78fa4728aa51efdf227d6379d476cd [0,0,0,1,0,0|2,0,1]=4 704 B12R1.129 C[C@@H]1CCC[C@H]1OCC(C)(C)O fe1e0ca07ede41b78732bf49f85772ae [0,0,0,1,0,0|2,0,1]=4 705 B12R1.129 C[C@@H]1COC[C@@H]1OCC(C)(C)O 8eb9cd6e7c26d2e8277712b86ee21a2c [0,0,0,1,0,0|3,0,0]=4 706 B12R1.129 C[C@H]1CCCN1CCC(C)(C)O 933f641f5a8d4fc249a8e923c7c10f18 [0,0,0,1,0,0|2,0,1]=4 707 B12R1.129 C[C@H]1CCC[C@@H]1OCC(C)(C)O 7eb2994c746e6e25731059ea6f1a25d2 [0,0,0,1,0,0|2,0,1]=4 708 B12R1.129 C[C@H]1CCC[C@H]1OCC(C)(C)O c216de98019958af5a23510b1f3566e9 [0,0,0,1,0,0|2,0,1]=4 709 B12R1.129 C[C@H]1COC[C@@H]1OCC(C)(C)O 6eaf3db0d8c7a99bb193d655e5439333 [0,0,0,1,0,0|3,0,0]=4 710 B12R1.129 C[C@H]1COC[C@H]1OCC(C)(C)O fdf9f1515ae604ba01061de45c93fbad [0,0,0,1,0,0|3,0,0]=4 711 B12R1.176 CC(C)(C)OC1CN(C1)CC=O 71dd6c2f73d1d17f5ba382526ab4af0d [0,0,0,1,0,0|3,0,0]=4 712 B12R1.176 CCCC1CN(C1)CC(C)(C)O f81132d1b9a36e5d094b47bc2f49a117 [0,0,0,1,0,0|2,0,1]=4 713 B12R1.176 COCC1CN(C1)CC(C)(C)O d528b6a6bd7dc63b7034deaae0c96f4f [0,0,0,1,0,0|3,0,0]=4 714 B12R1.180 C#CCN1CCC(C1)C(C)(C)O 5442558a03e633c40be2f8ec1d6e99ef [0,0,0,1,0,0|2,0,1]=4 715 B12R1.180 C#CCN1CC[C@@H](C1)C(C)(C)O 1e5c9576a82e24189b872fe80297efe1 [0,0,0,1,0,0|2,0,1]=4 716 B12R1.180 C#CCN1CC[C@H](C1)C(C)(C)O f503059040f2b54c78cc3281487d550b [0,0,0,1,0,0|2,0,1]=4 717 B12R1.180 C=CCN1CCC(C1)C(C)(C)O 8a6d9a678be0496fc83c9d88ada98173 [0,0,0,1,0,0|2,0,0]=3 718 B12R1.180 C=CCN1CC[C@@H](C1)C(C)(C)O 4053b7886ba92204b9d2bd7e4e76600c [0,0,0,1,0,0|2,0,0]=3 719 B12R1.180 C=CCN1CC[C@H](C1)C(C)(C)O 84fd4f003414ecd19391d3c2350a69c4 [0,0,0,1,0,0|2,0,0]=3 720 B12R1.180 CC(C)(C)N1CCC(C1)NC=O a3c786b9d014fe8ac3ad9e16318e5d4e [0,0,0,1,0,0|3,0,0]=4 721 B12R1.180 CC(C)(C)N1CC[C@@H](C1)NC=O 13968a3640e983e90243185874fd08e8 [0,0,0,1,0,0|3,0,0]=4 722 B12R1.180 CC(C)(O)C1CCN(C1)CC#N 3930a27ef16485bb1b9d90853095e2a9 [0,0,0,1,0,0|2,0,1]=4 723 B12R1.180 CC(C)(O)C1CCN(C1)CC=O 7faddf6a372ecea179c239591efcfc3e [0,0,0,1,0,0|1,0,0]=2 724 B12R1.180 CC(C)(O)C1CCN(C1)CCF 4b85f839e9e7e6fe4bd86ee56294ed4b [0,0,0,1,0,0|2,0,1]=4 725 B12R1.180 CC(C)(O)C1CCN(C1)CCO d9071d5b6fa3f0a89816b0c996f1a120 [0,0,0,1,0,0|1,0,2]=4 726 B12R1.180 CC(C)(O)C1CCN(C1)CCS 4cc31dc6a0d66973c090026b9917f8a1 [0,0,0,1,0,0|1,1,1]=4 727 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CC#N 5da79adb0f6671bbbfce372181b0466e [0,0,0,1,0,0|2,0,1]=4 728 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CC=O 146c3b9ed8f3c91ac78004dbd4e1bf51 [0,0,0,1,0,0|1,0,0]=2 729 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CCF f8d0c05611a9c99d20233c03029af608 [0,0,0,1,0,0|2,0,1]=4 730 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CCO b8c8c5c3b4d16a613c77e55b01d27bb6 [0,0,0,1,0,0|1,0,2]=4 731 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CCS fbd0baf18ca8f818840ffce10121ee2c [0,0,0,1,0,0|1,1,1]=4 732 B12R1.180 CC(C)(O)[C@H]1CCN(C1)CC#N fe95d10e8be89fb2dae7d636da6abebe [0,0,0,1,0,0|2,0,1]=4 733 B12R1.180 CC(C)(O)[C@H]1CCN(C1)CC=O bf9d216c72bc2c6c0f51fbb863cf7a05 [0,0,0,1,0,0|1,0,0]=2 734 B12R1.180 CC(C)(O)[C@H]1CCN(C1)CCF 320ef8ac5ec0b3b562e32dc4efb5c8d7 [0,0,0,1,0,0|2,0,1]=4 735 B12R1.180 CC(C)(O)[C@H]1CCN(C1)CCO 9f5d9cd9f4cf3683cc97ae7f9ef6e583 [0,0,0,1,0,0|1,0,2]=4 736 B12R1.180 CC(C)(O)[C@H]1CCN(C1)CCS 54e30ec00433b6fc29a1972aa8383b85 [0,0,0,1,0,0|1,1,1]=4 737 B12R1.180 CCCN1CCC(C1)C(C)(C)O afa41abf4cb7cd7c917f513d9a9f044c [0,0,0,1,0,0|2,0,1]=4 738 B12R1.180 CCCN1CC[C@@H](C1)C(C)(C)O 7073dd5bd64ffeb71d158efdd37f1f49 [0,0,0,1,0,0|2,0,1]=4 739 B12R1.180 CCCN1CC[C@H](C1)C(C)(C)O 8a52fe96d0e6e15e8c336a7d21c7a560 [0,0,0,1,0,0|2,0,1]=4 740 B12R1.180 COCN1CCC(C1)C(C)(C)O a1933e6e3c92fef66f7841359d4d3d5e [0,0,0,1,0,0|3,0,0]=4 741 B12R1.180 COCN1CC[C@@H](C1)C(C)(C)O 76f109d2539d43d896836890f7049e91 [0,0,0,1,0,0|3,0,0]=4 742 B12R1.180 COCN1CC[C@H](C1)C(C)(C)O b3623f1b4d7396142fb05c57c372202e [0,0,0,1,0,0|3,0,0]=4 743 B12R1.180 CSCN1CCC(C1)C(C)(C)O 0c1d209db4660207eef39c901b6830a1 [0,0,0,1,0,0|3,0,0]=4 744 B12R1.180 CSCN1CC[C@@H](C1)C(C)(C)O 2dc7a42468879c7abdbbe6d6e019eca7 [0,0,0,1,0,0|3,0,0]=4 745 B12R1.180 CSCN1CC[C@H](C1)C(C)(C)O d7a4b9e893866a19734e11d4d27e70ac [0,0,0,1,0,0|3,0,0]=4 746 B12R1.185 COC[C@@H]1C[C@@H]1NCC(C)(C)O 46e9df52aeb99860b05397918d526ee6 [0,0,0,1,0,0|3,0,0]=4 747 B12R1.185 COC[C@H]1C[C@@H]1NCC(C)(C)O 356e7a46f480d8682586770c929bf348 [0,0,0,1,0,0|3,0,0]=4 748 B12R1.219 C=C1CC(C1)CNCC(C)(C)C 45145fa74bff43d7af1c00f2ef2ddb2e [0,0,0,1,0,0|3,0,0]=4 749 B12R1.219 C=C1CC(C1)CNCC(C)(C)O ddfd84b9d4720a5ad7a2ff0abfa29dd5 [0,0,0,1,0,0|2,0,0]=3 750 B12R1.219 C=C1CC(C1)COCC(C)(C)Br 00ff007473e7ecc16b945b43f9b18476 [0,0,0,1,0,0|3,0,0]=4 751 B12R1.219 C=C1CC(C1)COCC(C)(C)C d8b9440558a9187f76a425100f392ecf [0,0,0,1,0,0|3,0,0]=4 752 B12R1.219 C=C1CC(C1)COCC(C)(C)F 3d084ae449e0f3fb674439824c2e1c92 [0,0,0,1,0,0|3,0,0]=4 753 B12R1.219 C=C1CC(C1)COCC(C)(C)O c780b9330d1b386bba7b79b3834bf437 [0,0,0,1,0,0|2,0,0]=3 754 B12R1.219 C=C1CC(C1)COCC(C)(C)S cdebcd21e9d8019012fa41c85c356480 [0,0,0,1,0,0|2,1,0]=4 755 B12R1.219 CC(C)(Br)COCC1CC(=O)C1 8b3f0401e909f88e7982b3209b17033d [0,0,0,1,0,0|2,0,0]=3 756 B12R1.219 CC(C)(Br)COCC1CC(=O)N1 4707acd39cf40d2355448bedbb263bb3 [0,0,0,1,0,0|3,0,0]=4 757 B12R1.219 CC(C)(Br)COCC1CC(=O)O1 153a44ccda82993737f6004e38f2d910 [0,0,0,1,0,0|3,0,0]=4 758 B12R1.219 CC(C)(C)CCNC1CC(=O)C1 309e2e6cd4cff68e1ba6446b98512976 [0,0,0,1,0,0|2,0,0]=3 759 B12R1.219 CC(C)(C)CCOC1CC(=O)C1 5b7b3ebdf9c663326c3dbad1fbb61309 [0,0,0,1,0,0|2,0,0]=3 760 B12R1.219 CC(C)(C)CNCC1CC(=O)C1 9ac1a30e7b44219db26f848e7b4fd88a [0,0,0,1,0,0|2,0,0]=3 761 B12R1.219 CC(C)(C)CNCC1CC(=O)N1 a0e43b60750871acffeaa3059e3b4bd3 [0,0,0,1,0,0|3,0,0]=4 762 B12R1.219 CC(C)(C)CNCC1CC(=O)O1 71c2e9dd4d32aa15ddbdd24972921e23 [0,0,0,1,0,0|3,0,0]=4 763 B12R1.219 CC(C)(C)COCC1CC(=O)C1 dfd99b589ecfa14793f33a0f2b41caaf [0,0,0,1,0,0|2,0,0]=3 764 B12R1.219 CC(C)(C)COCC1CC(=O)N1 edb9cd593ca7600b4ab687bdf33841cd [0,0,0,1,0,0|3,0,0]=4 765 B12R1.219 CC(C)(C)COCC1CC(=O)O1 6c14fb88564a7051b07e48cb7d5cbb31 [0,0,0,1,0,0|3,0,0]=4 766 B12R1.219 CC(C)(C)COC[C@@H]1CC(=O)N1 33dbe2da78105d8c6641747087eb090e [0,0,0,1,0,0|3,0,0]=4 767 B12R1.219 CC(C)(C)COC[C@H]1CC(=O)N1 48931add1c0f5d8e3c241d659714cdfc [0,0,0,1,0,0|3,0,0]=4 768 B12R1.219 CC(C)(F)CCNC1CC(=O)C1 d228a70fea1107ab84f264bdb5abd1ec [0,0,0,1,0,0|2,0,0]=3 769 B12R1.219 CC(C)(F)COCC1CC(=O)C1 701a7cfff22891670ed05ca5d0b210cc [0,0,0,1,0,0|2,0,0]=3 770 B12R1.219 CC(C)(F)COCC1CC(=O)N1 2562345ad4687148f0b939ea48ac46a2 [0,0,0,1,0,0|3,0,0]=4 771 B12R1.219 CC(C)(F)COCC1CC(=O)O1 58282f7ac680f3802716b737c65d4e29 [0,0,0,1,0,0|3,0,0]=4 772 B12R1.219 CC(C)(F)COC[C@@H]1CC(=O)N1 ad0850237b5e96f939b66dd9ffb8ecc1 [0,0,0,1,0,0|3,0,0]=4 773 B12R1.219 CC(C)(F)COC[C@H]1CC(=O)N1 84f8230e02214662cd1308426d87c527 [0,0,0,1,0,0|3,0,0]=4 774 B12R1.219 CC(C)(O)CCCN1CC(C1)F d1c9a3eff7b0075b755ee00a9365a811 [0,0,0,1,0,0|2,0,1]=4 775 B12R1.219 CC(C)(O)CCCN1CC(C1)O db2a00ebc163325a91d90851303b1ddb [0,0,0,1,0,0|1,0,2]=4 776 B12R1.219 CC(C)(O)CCNC1CC(=O)C1 ea86df6002082737772472f4c2f8a02a [0,0,0,1,0,0|1,0,0]=2 777 B12R1.219 CC(C)(O)CCNC1CC(C1)F dde7fc23dc64945f92bde85dece603b9 [0,0,0,1,0,0|2,0,1]=4 778 B12R1.219 CC(C)(O)CCNC1CC(C1)O b1d7015cb80031957988cf97a7447ebb [0,0,0,1,0,0|1,0,2]=4 779 B12R1.219 CC(C)(O)CCN[C@H]1C[C@@H](C1)F dae1a1e8983b075cbccd4946ce294cb8 [0,0,0,1,0,0|2,0,1]=4 780 B12R1.219 CC(C)(O)CCN[C@H]1C[C@@H](C1)O 7a7a6311beb13978b1c2957e4675a78b [0,0,0,1,0,0|1,0,2]=4 781 B12R1.219 CC(C)(O)CCN[C@H]1C[C@H](C1)F b7f95e7bb9e497ba6e5ede19d9d3ad76 [0,0,0,1,0,0|2,0,1]=4 782 B12R1.219 CC(C)(O)CCN[C@H]1C[C@H](C1)O ecc619f12085a346d11e2cb5b8ff15ad [0,0,0,1,0,0|1,0,2]=4 783 B12R1.219 CC(C)(O)CCOC1CC(=O)C1 1a62f0d8b8903249076fff434c912317 [0,0,0,1,0,0|1,0,0]=2 784 B12R1.219 CC(C)(O)CCOC1CC(C1)F e94f7d3b4c22ebe1137d44b62557e277 [0,0,0,1,0,0|2,0,1]=4 785 B12R1.219 CC(C)(O)CCO[C@H]1C[C@@H](C1)F 0bf0e4536f6bed2a55fbfbdff406d152 [0,0,0,1,0,0|2,0,1]=4 786 B12R1.219 CC(C)(O)CCO[C@H]1C[C@H](C1)F 0e47336b8330d9ac5225b293354b50ec [0,0,0,1,0,0|2,0,1]=4 787 B12R1.219 CC(C)(O)CNCC1CC(=O)C1 db38c2227055000f5acc79127c27161f [0,0,0,1,0,0|1,0,0]=2 788 B12R1.219 CC(C)(O)CNCC1CC(=O)N1 e8fdb171f5de0de9e61063747d93ef99 [0,0,0,1,0,0|2,0,0]=3 789 B12R1.219 CC(C)(O)CNCC1CC(=O)O1 60885a49da95f426f95dd4291f21f337 [0,0,0,1,0,0|2,0,0]=3 790 B12R1.219 CC(C)(O)CNCC1CC(C1)O 9ce7700ac462d85146731e28e440b89c [0,0,0,1,0,0|1,0,2]=4 791 B12R1.219 CC(C)(O)CNC[C@H]1C[C@@H](C1)O 3f4019f27b67eb956e925b49a9a1b09d [0,0,0,1,0,0|1,0,2]=4 792 B12R1.219 CC(C)(O)CNC[C@H]1C[C@H](C1)F daf5c403ee5b10c62601a5301a4be93e [0,0,0,1,0,0|2,0,1]=4 793 B12R1.219 CC(C)(O)CNC[C@H]1C[C@H](C1)O 9409f30c5d12e30971affea77b3076a1 [0,0,0,1,0,0|1,0,2]=4 794 B12R1.219 CC(C)(O)COCC1CC(=O)C1 d6b3f02a6d8eef3aab1151993183a85e [0,0,0,1,0,0|1,0,0]=2 795 B12R1.219 CC(C)(O)COCC1CC(=O)N1 b465d6f09ee2cd67732596dd42365262 [0,0,0,1,0,0|2,0,0]=3 796 B12R1.219 CC(C)(O)COCC1CC(C1)F 0c8a73d3fab6c5ffbf8c8e68cb96d565 [0,0,0,1,0,0|2,0,1]=4 797 B12R1.219 CC(C)(O)COC[C@@H]1CC(=O)N1 12277f6d7f038b65e5e2b039123f1e8f [0,0,0,1,0,0|2,0,0]=3 798 B12R1.219 CC(C)(O)COC[C@H]1CC(=O)N1 4b74e23a2cdcd41062f00533cb3202e3 [0,0,0,1,0,0|2,0,0]=3 799 B12R1.219 CC(C)(O)COC[C@H]1C[C@@H](C1)C b739df733e806993d98460c18c11f065 [0,0,0,1,0,0|2,0,1]=4 800 B12R1.219 CC(C)(S)CCOC1CC(=O)C1 2ad97dbcfb99e2b0f5f11cc6dbb6114b [0,0,0,1,0,0|1,1,0]=3 801 B12R1.219 CC(C)(S)COCC1CC(=O)C1 8a6631dde82684d6846af9a22e1bc40a [0,0,0,1,0,0|1,1,0]=3 802 B12R1.219 CC(C)(S)COCC1CC(=O)N1 7ce27a9ef74a924f6d351e80514afaca [0,0,0,1,0,0|2,1,0]=4 803 B12R1.219 CC(C)(S)COCC1CC(=O)O1 f11733882b0f819f05dd2091f79465a7 [0,0,0,1,0,0|2,1,0]=4 804 B12R1.219 CC(F)(F)CCOC1CC(=O)C1 de9d9790eb0a3fd23902570be2237c09 [0,0,0,1,0,0|3,0,0]=4 805 B12R1.219 CC(F)(F)CNCC1CC(=O)C1 fb5f1f9f6877391e7355f0d9cb7f7e58 [0,0,0,1,0,0|3,0,0]=4 806 B12R1.219 CC(F)(F)COCC1CC(=O)C1 e705ac1c8ebda5913ea16790a866737e [0,0,0,1,0,0|3,0,0]=4 807 B12R1.219 CC1CC(C1)CNCC(C)(C)O fd24d351cb1e4360234cbe301afb4bb8 [0,0,0,1,0,0|2,0,1]=4 808 B12R1.219 CC1CC(C1)COCC(C)(C)O d1338adb9ea6f7f427b591e56cc221d4 [0,0,0,1,0,0|2,0,1]=4 809 B12R1.219 CC1CC(C1)OCCC(C)(C)O 4ceab8dfe9575cc44c15a466736709f2 [0,0,0,1,0,0|2,0,1]=4 810 B12R1.219 CN1CC(C1)CNCC(C)(C)O f0bf7e69a3e65d4b8427c7a54e14e04f [0,0,0,1,0,0|3,0,0]=4 811 B12R1.219 CN1CC(C1)COCC(C)(C)O 965d2e2ba62d1d194733a2f807e9091b [0,0,0,1,0,0|3,0,0]=4 812 B12R1.219 CN1CC(C1)NCCC(C)(C)O cc672263e3f6993c88fb62a9ba3b005f [0,0,0,1,0,0|3,0,0]=4 813 B12R1.219 CN1CC(C1)OCCC(C)(C)O 4b426d51d26aa77493aac431651bcb51 [0,0,0,1,0,0|3,0,0]=4 814 B12R1.417 C#C[C@H]1C[C@H]1COCC(C)(C)O 86d13607dd86093ec0a28da2132ad4f7 [0,0,0,1,0,0|2,0,1]=4 815 B12R1.417 CC(C)(C)CCNC1CC1C=O f3aab3ed4d141f1cb57e7a11de34172f [0,0,0,1,0,0|2,0,0]=3 816 B12R1.417 CC(C)(C)CCOC1CC1C=O a24fd6161d3f480d025a7c8a266f2f7f [0,0,0,1,0,0|2,0,0]=3 817 B12R1.417 CC(C)(F)CCNC1CC1C=O 839b470c4ace308da44b79d0a96dadd2 [0,0,0,1,0,0|2,0,0]=3 818 B12R1.417 CC(C)(O)CCNC1CC1C=O c6612db3e909c46aa8d0e159ee0d31d3 [0,0,0,1,0,0|1,0,0]=2 819 B12R1.417 CC(C)(O)CCN[C@@H]1C[C@H]1CO e396e14d33757e43e7cf5546bb4ebf28 [0,0,0,1,0,0|1,0,2]=4 820 B12R1.417 CC(C)(O)CCN[C@H]1C[C@@H]1CO d62ef9cef16b3be483d9684418a72cba [0,0,0,1,0,0|1,0,2]=4 821 B12R1.417 CC(C)(O)CCN[C@H]1C[C@H]1CO a1ef5dc6fa49d65bc59365bb5eb583ac [0,0,0,1,0,0|1,0,2]=4 822 B12R1.417 CC(C)(O)CNCC1CC1CO f16b3681436394a5f1ce137c3981eb95 [0,0,0,1,0,0|1,0,2]=4 823 B12R1.417 CC(C)(O)COCC1CC1C#N ddef3d647597c7330f40021e50e758d8 [0,0,0,1,0,0|2,0,1]=4 824 B12R1.417 CC(C)(S)CCOC1CC1C=O 5a1c161c8dff76c10a7037f9ff5733f2 [0,0,0,1,0,0|1,1,0]=3 825 B12R1.417 CC(F)(F)CCOC1CC1C=O c407726508e9019b15572becb9116cbf [0,0,0,1,0,0|3,0,0]=4 826 B12R1.417 CO[C@H]1C[C@H]1NCCC(C)(C)O 808cc69dd020aada09cb0b8cbbab3749 [0,0,0,1,0,0|3,0,0]=4 827 B12R1.862 CC1CC(C(=O)O1)NC(C)(C)C 9e71fb7880eaf3e90ecec35789148f7c [0,0,0,1,0,0|3,0,0]=4 828 B12R1.890 CC(C)(Br)COCC1CC=CC1 23720fb7b4a20b64aa4b45f88e6311c4 [0,0,0,1,0,0|3,0,0]=4 829 B12R1.890 CC(C)(C)CCNC1CC=CC1 b8d74f1f2f94bdb5497589d4ebf2ea6d [0,0,0,1,0,0|3,0,0]=4 830 B12R1.890 CC(C)(C)CCOC1CC=CC1 c4734013acd44bec16d4adac5b4992e7 [0,0,0,1,0,0|3,0,0]=4 831 B12R1.890 CC(C)(C)CNCC1CC=CC1 56d92788cac6b5c4790c4d771f4f5468 [0,0,0,1,0,0|3,0,0]=4 832 B12R1.890 CC(C)(C)COCC1CC=CC1 af1338e2de80d99e18ede1ddc93fe730 [0,0,0,1,0,0|3,0,0]=4 833 B12R1.890 CC(C)(F)CNCC1CC=CC1 a9c7b659f40fc4eb26c5d352d1b5538c [0,0,0,1,0,0|3,0,0]=4 834 B12R1.890 CC(C)(F)COCC1CC=CC1 8b3222f7adc41f9376b6811d0c7e646a [0,0,0,1,0,0|3,0,0]=4 835 B12R1.890 CC(C)(O)CCCN1CC=CC1 99c613f4bed2b88d3482f41da4209078 [0,0,0,1,0,0|2,0,0]=3 836 B12R1.890 CC(C)(O)CCCN1CCSC1 22dabe17f2ee2a74417c4239e5b13413 [0,0,0,1,0,0|1,1,1]=4 837 B12R1.890 CC(C)(O)CCNC1CC=CC1 3f1b8fa9f57ec3d62db8f30c205fc2e0 [0,0,0,1,0,0|2,0,0]=3 838 B12R1.890 CC(C)(O)CCNC1CCCC1 dc804182db8092bf7085615c3288168d [0,0,0,1,0,0|2,0,1]=4 839 B12R1.890 CC(C)(O)CCNC1CCOC1 f96f4572ff881c5520e8d69afc76ea48 [0,0,0,1,0,0|1,0,2]=4 840 B12R1.890 CC(C)(O)CCNC1CCSC1 21c863417aad6d0629c64c947a373ad6 [0,0,0,1,0,0|1,1,1]=4 841 B12R1.890 CC(C)(O)CCN[C@@H]1CCOC1 e0393a405b3400fb02964015fe092ca2 [0,0,0,1,0,0|1,0,2]=4 842 B12R1.890 CC(C)(O)CCN[C@H]1CCOC1 ebf4ab1d86e7ef1b8bea6f17c1518d9f [0,0,0,1,0,0|1,0,2]=4 843 B12R1.890 CC(C)(O)CCOC1C=CCC1 87c0f2e8fd25d16b34db5fc25f514532 [0,0,0,1,0,0|2,0,1]=4 844 B12R1.890 CC(C)(O)CCOC1CC=CC1 8cfc52535fd191e0e80dfa2db7a9be6e [0,0,0,1,0,0|2,0,0]=3 845 B12R1.890 CC(C)(O)CCOC1CCCC1 e9f73ea139f2168c87f8a8392f4358af [0,0,0,1,0,0|2,0,1]=4 846 B12R1.890 CC(C)(O)CCOC1CCOC1 eb75ebd3c7f6060d0d0c0cf5cc24683e [0,0,0,1,0,0|1,0,2]=4 847 B12R1.890 CC(C)(O)CCOC1CCSC1 532c3944df0ed1992ef45a46d6137a66 [0,0,0,1,0,0|1,1,1]=4 848 B12R1.890 CC(C)(O)CCO[C@@H]1CCOC1 dea85a333c5bba3efc0f67d213497495 [0,0,0,1,0,0|1,0,2]=4 849 B12R1.890 CC(C)(O)CCO[C@@H]1CCSC1 963ca922b82886cdbd92103170b33e4b [0,0,0,1,0,0|1,1,1]=4 850 B12R1.890 CC(C)(O)CCO[C@H]1CCOC1 dd682a6a1b1d46794ac4e9260d3767c6 [0,0,0,1,0,0|1,0,2]=4 851 B12R1.890 CC(C)(O)CCO[C@H]1CCSC1 ad050f47d82f618aeb6ecca969eec039 [0,0,0,1,0,0|1,1,1]=4 852 B12R1.890 CC(C)(O)CNCC1CC=CC1 4a4fb2ed4627326620be7882c6a011da [0,0,0,1,0,0|2,0,0]=3 853 B12R1.890 CC(C)(O)CNCC1CCCC1 d09379d50219df1af39828a7aaffc0ef [0,0,0,1,0,0|2,0,1]=4 854 B12R1.890 CC(C)(O)CNCC1CCOC1 01fb5d7733111ab281a10a479d3c16e9 [0,0,0,1,0,0|1,0,2]=4 855 B12R1.890 CC(C)(O)CNC[C@@H]1CCOC1 8dd259199d436e083ded59798b3c6e7d [0,0,0,1,0,0|1,0,2]=4 856 B12R1.890 CC(C)(O)CNC[C@H]1CCOC1 a06408992a7b9fa854177f83958a93fa [0,0,0,1,0,0|1,0,2]=4 857 B12R1.890 CC(C)(O)COCC1C=CCC1 268a8aa6e3bab24d78da597ac9c08841 [0,0,0,1,0,0|2,0,1]=4 858 B12R1.890 CC(C)(O)COCC1CC=CC1 019bf41dad93ea1824aabfc0e474045d [0,0,0,1,0,0|2,0,0]=3 859 B12R1.890 CC(C)(O)COCC1CCCC1 55bbced17693287f19b98b0728fadea9 [0,0,0,1,0,0|2,0,1]=4 860 B12R1.890 CC(C)(O)COCC1CCOC1 493c0cf8bd50edcce6a5b40947780dad [0,0,0,1,0,0|1,0,2]=4 861 B12R1.890 CC(C)(O)COC[C@@H]1CCOC1 9c8b83818854d545985e50b841ab8195 [0,0,0,1,0,0|1,0,2]=4 862 B12R1.890 CC(C)(O)COC[C@H]1CCOC1 b8ffad9032bd27ab5079ddeda46ff948 [0,0,0,1,0,0|1,0,2]=4 863 B12R1.890 CC(C)(S)COCC1CC=CC1 e1c1237a2a1057a114af64e2122c14f6 [0,0,0,1,0,0|2,1,0]=4 864 B12R1.991 CC(C)(O)COCC1(CC1F)C dd6c80b2de88e5aad11264d6fc1c0c83 [0,0,0,1,0,0|2,0,1]=4 865 B12R1.1029 CC(C)(O)CCNC1(CCC1)C b2c3704cb8a28e90cf35477b5bf84e63 [0,0,0,1,0,0|2,0,1]=4 866 B12R1.1029 CC(C)(O)CCNC1(COC1)C c440d1a3ab811db1b32c938786b358fb [0,0,0,1,0,0|3,0,0]=4 867 B12R1.1029 CC(C)(O)CCNC1(CSC1)C d3a3a4fd674459c0461a7840bb161be0 [0,0,0,1,0,0|3,0,0]=4 868 B12R1.1029 CC(C)(O)CNCC1(CCC1)C 981817d9f5fa8318362a8cdb17bec28f [0,0,0,1,0,0|2,0,1]=4 869 B12R1.1029 CC(C)(O)CNCC1(CCO1)C d56c9b5fcf072ee71c94058039458208 [0,0,0,1,0,0|1,0,2]=4 870 B12R1.1029 CC(C)(O)CNCC1(COC1)C 54dbdabff9e3df68b438e6133e52199b [0,0,0,1,0,0|3,0,0]=4 871 B12R1.1029 CC(C)(O)CNC[C@@]1(CCO1)C aced0e7dd36af60a583ea0ed4bec2829 [0,0,0,1,0,0|1,0,2]=4 872 B12R1.1029 CC(C)(O)COCC1(CCC1)C 156d637342af6ee65ea71c2be74286de [0,0,0,1,0,0|2,0,1]=4 873 B12R1.1029 CC(C)(O)COCC1(CCO1)C 7a78da6a45ed727ff84b64c1823cec4f [0,0,0,1,0,0|1,0,2]=4 874 B12R1.1029 CC(C)(O)COCC1(COC1)C fca8bb431ee0c6e6bd8ee25daae9f95d [0,0,0,1,0,0|3,0,0]=4 875 B12R1.1029 CC(C)(O)COCC1(CSC1)C cd19ad54366e061b688793895367cd94 [0,0,0,1,0,0|3,0,0]=4 876 B12R1.1029 CC(C)(O)COC[C@@]1(CCO1)C a1b7b63434637ec090bb115f95416c24 [0,0,0,1,0,0|1,0,2]=4 877 B12R1.1029 CC(C)(O)COC[C@]1(CCO1)C 8f67b076628f8b08b5cfaad3e0a10af9 [0,0,0,1,0,0|1,0,2]=4 878 B12R1.1142 C#CCN1CCCC(CC1)(C)O 25c12176e90ce843fa9bc6dd58b3d543 [0,0,0,1,0,0|2,0,1]=4 879 B12R1.1142 C=CCN1CCCC(CC1)(C)C 6d9a88d782c0fbacdf77bc1b2cdf76c8 [0,0,0,1,0,0|3,0,0]=4 880 B12R1.1142 C=CCN1CCCC(CC1)(C)O cf406104fffc2d673179fdb31051ef2f [0,0,0,1,0,0|2,0,0]=3 881 B12R1.1142 CC1(CCCN(CC1)CC#N)O 71f393b0cdc89406e84558d12867dfb5 [0,0,0,1,0,0|2,0,1]=4 882 B12R1.1142 CC1(CCCN(CC1)CC=O)C c49afd3e714aadec5d3242dee3397c97 [0,0,0,1,0,0|2,0,0]=3 883 B12R1.1142 CC1(CCCN(CC1)CC=O)O 51241af21a1abded183998cd82213ad6 [0,0,0,1,0,0|1,0,0]=2 884 B12R1.1142 CC1(CCCN(CC1)CCF)O 0e8cf4e3ba8cc83300d985b4f1eec1af [0,0,0,1,0,0|2,0,1]=4 885 B12R1.1142 CC1(CCCN(CC1)CCO)O 77408c4df61cc635cea61c9c631aaa95 [0,0,0,1,0,0|1,0,2]=4 886 B12R1.1142 CC1(CCCN(CC1)CCS)O 68533e97089aa7db833b7cf063ee7504 [0,0,0,1,0,0|1,1,1]=4 887 B12R1.1142 CCCN1CCCC(CC1)(C)O c297337911b097bf93bfdfce1bce9ec6 [0,0,0,1,0,0|2,0,1]=4 888 B12R1.1142 COCN1CCCC(CC1)(C)O d8f54f34e442d3fcf73a96cc15cd2b41 [0,0,0,1,0,0|3,0,0]=4 889 B12R1.1142 CSCN1CCCC(CC1)(C)O 1b1be118c6f969bf8fd88448e10546b6 [0,0,0,1,0,0|3,0,0]=4 890 B12R1.1142 O=CCN1CCCC(CC1)(F)F 31ba88ba933ee40a56af1a94f8a8eefe [0,0,0,1,0,0|3,0,0]=4 891 B12R1.1278 CC1CC(N1CCC(C)(C)O)C 06a6278cb207bc150c158cddfeed0d96 [0,0,0,1,0,0|2,0,1]=4 892 B12R1.1278 C[C@@H]1C[C@@H](N1CCC(C)(C)O)C 01f72ea1b9aa6ea6a6092a95341a5250 [0,0,0,1,0,0|2,0,1]=4 893 B12R1.1278 C[C@@H]1C[C@H](N1CCC(C)(C)O)C eb65fd3e7615e586a362064d7b853767 [0,0,0,1,0,0|2,0,1]=4 894 B12R1.1278 C[C@H]1C[C@@H](N1CCC(C)(C)O)C 8c4f875d3e4f190945e191f86aec404f [0,0,0,1,0,0|2,0,1]=4 895 B12R1.1527 C=CCC(C)CNCC1(CC1)F 45eaf5bed25a661472e07020e60f78e0 [0,0,0,1,0,0|3,0,0]=4 896 B12R1.1527 C=CCC(C)CNCC1(CC1)O 1b9d7d0f28ba5a522550395c275854a8 [0,0,0,1,0,0|2,0,0]=3 897 B12R1.1527 C=CCC(C)COCC1(CC1)Br 50b6313c626f7afc11f7f3fb85ca4bb7 [0,0,0,1,0,0|3,0,0]=4 898 B12R1.1527 C=CCC(C)COCC1(CC1)C f66b5b922e4e6338e5712bafe253303b [0,0,0,1,0,0|3,0,0]=4 899 B12R1.1527 C=CCC(C)COCC1(CC1)Cl 2082799daab1e7ad9e48b62ab773a6bd [0,0,0,1,0,0|3,0,0]=4 900 B12R1.1527 C=CCC(C)COCC1(CC1)F e8df7ae4976190c38bbac0c05f57f07d [0,0,0,1,0,0|3,0,0]=4 901 B12R1.1527 CC(CC#N)NCCC1(CC1)O 20f9075b177894d68fcacc8a36add47f [0,0,0,1,0,0|2,0,1]=4 902 B12R1.1527 CC(CCO)NCCC1(CC1)O c8f76b7024304df52cb57469f616b74b [0,0,0,1,0,0|1,0,2]=4 903 B12R1.1527 CCCC(C)CNCC1(CC1)O 98d0c389d93b03474bc04506c650c331 [0,0,0,1,0,0|2,0,1]=4 904 B12R1.1527 CCCC(C)NCCC1(CC1)O b60958bc10cf5d58c15fe8cd02456bec [0,0,0,1,0,0|2,0,1]=4 905 B12R1.1527 COCC(C)NCCC1(CC1)O 0dd6d898c129076d1d56fb042c40bdbf [0,0,0,1,0,0|3,0,0]=4 906 B12R1.1527 O=CCC(=O)NCCC1(CC1)O 0cc4ba0d1148345e6dac8cc66bfde8b4 [0,0,0,1,0,0|2,0,1]=4 907 B12R1.1572 C=CCC(C)CNC1CC1(C)C d9b28fbd230a50103e2b5dbfa24f6ed0 [0,0,0,1,0,0|3,0,0]=4 908 B12R1.1572 C=CCC(C)CN[C@@H]1CC1(C)C 12e4585edd30f7ec38dfbcb47375ea11 [0,0,0,1,0,0|3,0,0]=4 909 B12R1.1572 C=CCC(C)CN[C@H]1CC1(C)C b8e2cb8b2bd75b2d6ff3e0483a62efcb [0,0,0,1,0,0|3,0,0]=4 910 B12R1.1572 C=CCC(C)COC1CC1(C)C fbc46655e22683c199578db9453fc744 [0,0,0,1,0,0|3,0,0]=4 911 B12R1.1580 C=CCN(C)C1CCC(C1)(C)C 4fc4e3c44911e8a855d6e349c4cb01a4 [0,0,0,1,0,0|3,0,0]=4 912 B12R1.1580 CC(CC#N)N1CCC(C1)(C)O 4443cc983c92b1221238b7e2eac376e5 [0,0,0,1,0,0|2,0,1]=4 913 B12R1.1580 CC(CC#N)N1CC[C@@](C1)(C)O dc74be19047dfcb94c8a19fe3bdc13c6 [0,0,0,1,0,0|2,0,1]=4 914 B12R1.1580 CC(CC#N)N1CC[C@](C1)(C)O 282eea655c78367277746063e37b524f [0,0,0,1,0,0|2,0,1]=4 915 B12R1.1580 CC(CCO)N1CCC(C1)(C)O 83afb164dd2109b0630cbc3e319212a2 [0,0,0,1,0,0|1,0,2]=4 916 B12R1.1580 CC(CCO)N1CC[C@@](C1)(C)O 852a3789a8d5710ea32135321d4461d3 [0,0,0,1,0,0|1,0,2]=4 917 B12R1.1580 CC(CCO)N1CC[C@](C1)(C)O c47c717019c6222d142233e7f91b8ba1 [0,0,0,1,0,0|1,0,2]=4 918 B12R1.1580 CC1(CCN(C1)C(=O)CC=O)O 7362c71d83721ca3e1bf4dfb2c4f3b7a [0,0,0,1,0,0|2,0,1]=4 919 B12R1.1580 CCCC(C)N1CCC(C1)(C)O 8bd92a3969af48c77682d1ede35f0884 [0,0,0,1,0,0|2,0,1]=4 920 B12R1.1580 CCCC(C)N1CC[C@@](C1)(C)O 948d770910dc87279b479d21c248cfe9 [0,0,0,1,0,0|2,0,1]=4 921 B12R1.1580 CCCC(C)N1CC[C@](C1)(C)O 3acecc28f080f950860ef6dc7c5abb3a [0,0,0,1,0,0|2,0,1]=4 922 B12R1.1580 COCC(C)N1CCC(C1)(C)O 83e001a6f8efcb0d3d31d2671ffb9979 [0,0,0,1,0,0|3,0,0]=4 923 B12R1.1580 COCC(C)N1CC[C@@](C1)(C)O d26beb5ee8b1e532ef328dcd913fd21b [0,0,0,1,0,0|3,0,0]=4 924 B12R1.1580 COCC(C)N1CC[C@](C1)(C)O 0f37800f38a5dfc18fbee61f1e0b9834 [0,0,0,1,0,0|3,0,0]=4 925 B12R1.1580 C[C@@]1(CCN(C1)C(=O)CC=O)O e3691cd0398a2a8963b8c74aeff497f0 [0,0,0,1,0,0|2,0,1]=4 926 B12R1.1580 C[C@]1(CCN(C1)C(=O)CC=O)O 64ce48a1178721d0ef931bdb8bcb60b1 [0,0,0,1,0,0|2,0,1]=4 927 B12R1.1620 C=CCC(C)CN1CC(C1)(C)C 038dfe60702208cad972dbb4f7cec9de [0,0,0,1,0,0|3,0,0]=4 928 B12R1.1620 C=CCC(C)CN1CC(C1)(C)O dc8a5c0839629c2d8794aaac69285695 [0,0,0,1,0,0|2,0,0]=3 929 B12R1.1620 C=CCC(C)OC1CC(C1)(C)C 9aff4829e65a65460cc82f98aef42efb [0,0,0,1,0,0|3,0,0]=4 930 B12R1.1620 C=CCN(C)CC1CC(C1)(C)C cf58d6db04e79cd509345cd0e330114a [0,0,0,1,0,0|3,0,0]=4 931 B12R1.1620 C=CC[C@@H](C)OC1CC(C1)(C)C fe1098b03bab7d6e19c366fc3fb4b4c0 [0,0,0,1,0,0|3,0,0]=4 932 B12R1.1620 C=CC[C@H](C)OC1CC(C1)(C)C cd4cf4f920d5c442358f7d87e034cbc3 [0,0,0,1,0,0|3,0,0]=4 933 B12R1.1620 CC(CC#N)NC1CC(C1)(C)O 25cc0d1865501ca4916e91d5bbfea2ad [0,0,0,1,0,0|2,0,1]=4 934 B12R1.1620 CC(CC#N)N[C@H]1C[C@@](C1)(C)O 7fab09ccd48c9625b729b5ce77ee1b42 [0,0,0,1,0,0|2,0,1]=4 935 B12R1.1620 CC(CCO)NC1CC(C1)(C)O 05eac5aa91d8cb5b7db6f137754ee5f2 [0,0,0,1,0,0|1,0,2]=4 936 B12R1.1620 CC(CCO)N[C@H]1C[C@@](C1)(C)O 554db1abdff40def6fb815f364818f67 [0,0,0,1,0,0|1,0,2]=4 937 B12R1.1620 CC1(CC(C1)NC(=O)CC=O)O 9955ae8fbd5c8e5924996d0c2a224959 [0,0,0,1,0,0|2,0,1]=4 938 B12R1.1620 CCCC(C)CN1CC(C1)(C)O b0043f7fbd7f7f0b1462a79bc7200280 [0,0,0,1,0,0|2,0,1]=4 939 B12R1.1620 CCCC(C)NC1CC(C1)(C)O cb6285781aebbd6fc436ea1f88e5253e [0,0,0,1,0,0|2,0,1]=4 940 B12R1.1620 CCCC(C)N[C@H]1C[C@@](C1)(C)O 0fbfc841f5ae85a8a68d33092e452eb7 [0,0,0,1,0,0|2,0,1]=4 941 B12R1.1620 COCC(C)NC1CC(C1)(C)O eb03e7c0595f95c9d0ab7315ed1cbdaa [0,0,0,1,0,0|3,0,0]=4 942 B12R1.1620 COCC(C)N[C@H]1C[C@@](C1)(C)O bb8767a2d5f9a2449b0082bdc6001acf [0,0,0,1,0,0|3,0,0]=4 943 B12R1.1620 C[C@@]1(C[C@H](C1)NC(=O)CC=O)O 31901fee31429cf88d9b9e0a4045c965 [0,0,0,1,0,0|2,0,1]=4 944 B12R1.3183 CC(COCC(C)(C)O)C1CC1 c56805cea88fd6fee009267854fac776 [0,0,0,1,0,0|2,0,1]=4 945 B12R1.3183 CC(NCCC(C)(C)O)C1CC1 6ca7bb7782b1513e7ce43fa97e56cb0f [0,0,0,1,0,0|2,0,1]=4 946 B12R1.3183 CC(OCCC(C)(C)O)C1CC1 8d56780277c14e12f799593ee939c078 [0,0,0,1,0,0|2,0,1]=4 947 B12R1.3183 CN(CCCC(C)(C)O)C1CC1 c96d5a142fb717b2626cd9bf5f0a31d0 [0,0,0,1,0,0|2,0,1]=4 948 B12R1.3183 C[C@@H](NCCC(C)(C)O)C1CC1 f52ce6c099e1a9ea210198c591738e37 [0,0,0,1,0,0|2,0,1]=4 949 B12R1.3183 C[C@@H](OCCC(C)(C)O)C1CC1 27546062b70983ff4bc70ad4585f62e8 [0,0,0,1,0,0|2,0,1]=4 950 B12R1.3183 C[C@H](NCCC(C)(C)O)C1CC1 e84c090d15c3406cc8a126a14dccc90b [0,0,0,1,0,0|2,0,1]=4 951 B12R1.3183 C[C@H](OCCC(C)(C)O)C1CC1 b5aa1879fa04192d2315989c4e022b87 [0,0,0,1,0,0|2,0,1]=4 952 B10R0.109 C#CCC(C)OCC(C)(C)O 567d25bca757dde81028051eaf09f377 [0,0,0,0,1,0|2,0,1]=4 953 B10R0.109 C#CCN(C)CCC(C)(C)O 7bd4010daf63a8ba6198463408c8b8e8 [0,0,0,0,1,0|2,0,1]=4 954 B10R0.109 C/C=C/C(C)OCC(C)(C)O 02ac977b73e0d194453667369959c01a [0,0,0,0,1,0|2,0,1]=4 955 B10R0.109 C=CCC(C)CNC(C)(C)C 7e0b9a2488ae9cebf3ff7cbc7325defa [0,0,0,0,1,0|3,0,0]=4 956 B10R0.109 C=CCC(C)OCC(C)(C)C 6de6a4ed241f3d8911e1278dd206277b [0,0,0,0,1,0|3,0,0]=4 957 B10R0.109 C=CCC(C)OCC(C)(C)F 251acc1ae4e03819557750728165fe75 [0,0,0,0,1,0|3,0,0]=4 958 B10R0.109 C=CCC(C)OCC(C)(C)O 797cd3fcb633bc9d9a5611c9ac529732 [0,0,0,0,1,0|2,0,0]=3 959 B10R0.109 C=CCN(C)CCC(C)(C)C 428658d08259d85cdfa1e5fd89ea9fb6 [0,0,0,0,1,0|3,0,0]=4 960 B10R0.109 C=CCN(C)CCC(C)(C)O a0698bc6d994e1a412cff12506e8a227 [0,0,0,0,1,0|2,0,0]=3 961 B10R0.109 C=CC[C@@H](C)OCC(C)(C)C be568a2540ac111a6ced958a92b6e783 [0,0,0,0,1,0|3,0,0]=4 962 B10R0.109 C=CC[C@@H](C)OCC(C)(C)F c20a8648558ed5f2a813c23fafb4193f [0,0,0,0,1,0|3,0,0]=4 963 B10R0.109 C=CC[C@@H](C)OCC(C)(C)O 58e9aa72308afca8a443b01bfeff38ed [0,0,0,0,1,0|2,0,0]=3 964 B10R0.109 C=CC[C@H](C)OCC(C)(C)C 87125516f66df44500ffea0ad237cfb2 [0,0,0,0,1,0|3,0,0]=4 965 B10R0.109 C=CC[C@H](C)OCC(C)(C)F 17eea0d5acf82706252f390041205354 [0,0,0,0,1,0|3,0,0]=4 966 B10R0.109 C=CC[C@H](C)OCC(C)(C)O 88e0328526668f8cab330b642b776683 [0,0,0,0,1,0|2,0,0]=3 967 B10R0.109 CC(C)(O)CNC(=O)CC=O ab25e4e3954209e87206a54ceefed627 [0,0,0,0,1,0|2,0,1]=4 968 B10R0.109 CC(CC#N)NCC(C)(C)O 8cace9216e8914db2fed0b30ae0095fd [0,0,0,0,1,0|2,0,1]=4 969 B10R0.109 CC(CC#N)OCC(C)(C)O 3574a9f8d1050f7138bbf2a01c17a676 [0,0,0,0,1,0|2,0,1]=4 970 B10R0.109 CC(CCC(C)(C)C)NC=O 598170e5ae1ccd06c0f5bc509f61d66f [0,0,0,0,1,0|2,0,0]=3 971 B10R0.109 CC(CCO)NCC(C)(C)O de83e4428810977abedf72d50b5687f1 [0,0,0,0,1,0|1,0,2]=4 972 B10R0.109 CC=CC(C)OCC(C)(C)O 9c69426b69226a2c247be67e2a71e363 [0,0,0,0,1,0|2,0,1]=4 973 B10R0.109 CCCC(C)NCC(C)(C)O 9bb18310fd87ebdbaf201d2893e806ba [0,0,0,0,1,0|2,0,1]=4 974 B10R0.109 CCCC(C)OCC(C)(C)O 011241aed2f11c4fc6d76794cd2e4e7b [0,0,0,0,1,0|2,0,1]=4 975 B10R0.109 CCCN(C)CCC(C)(C)O d9c49cc6a9b7e8e776bba76b256d4931 [0,0,0,0,1,0|2,0,1]=4 976 B10R0.109 CCC[C@@H](C)OCC(C)(C)O 1269b514678b8ae34725db9ad872148b [0,0,0,0,1,0|2,0,1]=4 977 B10R0.109 CCC[C@H](C)NCC(C)(C)O dcfc0de2a8ef8260d8107e7038d403ef [0,0,0,0,1,0|2,0,1]=4 978 B10R0.109 CCC[C@H](C)OCC(C)(C)O 0359b35339de4550174ecd659c59cad0 [0,0,0,0,1,0|2,0,1]=4 979 B10R0.109 CN(CC#N)CCC(C)(C)O a2c271a2efeb2316b9dce2c4794e214e [0,0,0,0,1,0|2,0,1]=4 980 B10R0.109 CN(CC=O)CCC(C)(C)C 98a9c8ae54bf6280fba11ca6ddcf07e5 [0,0,0,0,1,0|2,0,0]=3 981 B10R0.109 CN(CC=O)CCC(C)(C)O 7b7b74143339a3d4e4fe77faa0a5bfcb [0,0,0,0,1,0|1,0,0]=2 982 B10R0.109 CN(CCF)CCC(C)(C)O 1d2e2a750bd29ffec79168ac5c326187 [0,0,0,0,1,0|2,0,1]=4 983 B10R0.109 CN(CCO)CCC(C)(C)O 2bf30003b552a60e11054607f33cbb74 [0,0,0,0,1,0|1,0,2]=4 984 B10R0.109 CN(CCS)CCC(C)(C)O fd3359bba7f105714659ce5fa2cffabe [0,0,0,0,1,0|1,1,1]=4 985 B10R0.109 COCC(C)NCC(C)(C)O 17a64031038bb0a1fcb01a28059983ef [0,0,0,0,1,0|3,0,0]=4 986 B10R0.109 COCC(C)OCC(C)(C)O 44e778076b759a78d6a533a161348df1 [0,0,0,0,1,0|3,0,0]=4 987 B10R0.109 COCN(C)CCC(C)(C)O 3993a7867aa0f23d9fefff9e291f3d7d [0,0,0,0,1,0|3,0,0]=4 988 B10R0.109 COC[C@@H](C)NCC(C)(C)O baad3e227b7279a0f04e597213c1e4dc [0,0,0,0,1,0|3,0,0]=4 989 B10R0.109 COC[C@@H](C)OCC(C)(C)O 0a32868508b3f369ca6638e44003c0e8 [0,0,0,0,1,0|3,0,0]=4 990 B10R0.109 COC[C@H](C)NCC(C)(C)O 78741f40d6b48661e37a87fe00ad5a58 [0,0,0,0,1,0|3,0,0]=4 991 B10R0.109 COC[C@H](C)OCC(C)(C)O 8c34bdfae32fb64781ad7dd2b08b97db [0,0,0,0,1,0|3,0,0]=4 992 B10R0.109 CSCC(C)OCC(C)(C)O 6f2aad8c1defc9a6956fc182ae6ae7a7 [0,0,0,0,1,0|3,0,0]=4 993 B10R0.109 CSCN(C)CCC(C)(C)O 6d44732d39b1efb8d544a5f9842aea48 [0,0,0,0,1,0|3,0,0]=4 994 B10R0.109 C[C@@H](CC#N)OCC(C)(C)O c80734b14ca60230f78139e4c94f248b [0,0,0,0,1,0|2,0,1]=4 995 B10R0.109 C[C@@H](CCO)NCC(C)(C)O edfec7d05d7a427c934a68faf57caf10 [0,0,0,0,1,0|1,0,2]=4 996 B10R0.109 C[C@H](CC#N)OCC(C)(C)O 6e2d797f94fb726b5454ac032d576205 [0,0,0,0,1,0|2,0,1]=4 997 B10R0.109 C[C@H](CCO)NCC(C)(C)O c6dda52019e0757859703c831d0b000f [0,0,0,0,1,0|1,0,2]=4 998 B12R0.72 C#CCC(C)OCCCC(C)(C)O d89fc99c5747f59c2543d4bcbd2b6b40 [0,0,0,0,0,1|1,0,1]=3 999 B12R0.72 C#CCN(C)CCOCC(C)(C)O 83dbe847410c35073f993bea47188043 [0,0,0,0,0,1|2,0,1]=4 1000 B12R0.72 C/C=C/C(C)OCCCC(C)(C)O 9e6b4a9a635d28f373a38b06d2320d2c [0,0,0,0,0,1|1,0,1]=3 1001 B12R0.72 C=CCC(=O)NCCCC(C)(C)O 51d1c3f3223f459487315a2a87605143 [0,0,0,0,0,1|2,0,1]=4 1002 B12R0.72 C=CCC(C)CNCCC(C)(C)C 177a4054653f5fc7eb34d7b34f566f14 [0,0,0,0,0,1|2,0,0]=3 1003 B12R0.72 C=CCC(C)CNCCC(C)(C)F 2f06e986df6f39dbc0fd8f511c94270a [0,0,0,0,0,1|2,0,0]=3 1004 B12R0.72 C=CCC(C)CNCCC(C)(C)O be3ff505c7374bee5617c3951fb9f3c5 [0,0,0,0,0,1|1,0,0]=2 1005 B12R0.72 C=CCC(C)COCCC(C)(C)C 63b4199e92a618f621226e6e3d6223f6 [0,0,0,0,0,1|2,0,0]=3 1006 B12R0.72 C=CCC(C)COCCC(C)(C)O f54eb373f56170acce3c653083791778 [0,0,0,0,0,1|1,0,0]=2 1007 B12R0.72 C=CCC(C)COCCC(C)(C)S 29c443c0a4cf4673885c55f0aa1dd77d [0,0,0,0,0,1|1,1,0]=3 1008 B12R0.72 C=CCC(C)COCCC(C)(F)F 772e4826a4da8d295303f2cc0becc92d [0,0,0,0,0,1|3,0,0]=4 1009 B12R0.72 C=CCC(C)OCCCC(C)(C)O a48c8c75c48a83d013fe62df30b755c2 [0,0,0,0,0,1|1,0,0]=2 1010 B12R0.72 C=CCC(C)OCCCC(C)(F)F 5ea4c570069af65cedf55842ef2656c2 [0,0,0,0,0,1|3,0,0]=4 1011 B12R0.72 C=CCC(C)OCCOC(C)(C)C 06e3d5d880e444ce785a78376e3679b8 [0,0,0,0,0,1|3,0,0]=4 1012 B12R0.72 C=CCC(C)OCCSC(C)(C)C 8c2f5e2627433939ae7c43655e55cfec [0,0,0,0,0,1|3,0,0]=4 1013 B12R0.72 C=CCC(O)CNCCC(C)(C)C be8a16f99f4dd0da3cd93a3bad5f22c0 [0,0,0,0,0,1|3,0,0]=4 1014 B12R0.72 C=CCC(O)CNCCC(C)(C)O e229cf816c9f179e1ecece19ddf67a71 [0,0,0,0,0,1|2,0,0]=3 1015 B12R0.72 C=CCN(C)CCCSC(C)(C)C 6b3a4e3498c753e02de6defdcb5760cb [0,0,0,0,0,1|3,0,0]=4 1016 B12R0.72 C=CCN(C)CCOCC(C)(C)C 174270801c0efcd761ce55f939368e50 [0,0,0,0,0,1|3,0,0]=4 1017 B12R0.72 C=CCN(C)CCOCC(C)(C)F 43d21ce254f4075e57d142b01d03d077 [0,0,0,0,0,1|3,0,0]=4 1018 B12R0.72 C=CCN(C)CCOCC(C)(C)O 3c3fb2b55a26f62da587a6318f37e952 [0,0,0,0,0,1|2,0,0]=3 1019 B12R0.72 C=CC[C@@H](C)OCCCC(C)(C)O 427b3da0a6f4253d437c3d4f0282496f [0,0,0,0,0,1|1,0,0]=2 1020 B12R0.72 C=CC[C@@H](C)OCCCC(C)(F)F 82cfec0b30a01aebee91b21173869237 [0,0,0,0,0,1|3,0,0]=4 1021 B12R0.72 C=CC[C@@H](C)OCCOC(C)(C)C 7f0ad1a5ffd8a43cb35112afc74da999 [0,0,0,0,0,1|3,0,0]=4 1022 B12R0.72 C=CC[C@@H](C)OCCSC(C)(C)C ac80687ea3155693b93bd2e8bfeb30f0 [0,0,0,0,0,1|3,0,0]=4 1023 B12R0.72 C=CC[C@H](C)OCCCC(C)(C)O a486485a2697e481ac319994de6a7a56 [0,0,0,0,0,1|1,0,0]=2 1024 B12R0.72 C=CC[C@H](C)OCCCC(C)(F)F a19f828b99613676e519164ce440aabc [0,0,0,0,0,1|3,0,0]=4 1025 B12R0.72 C=CC[C@H](C)OCCOC(C)(C)C 71ed2d0bd94920e2e9aa8f2e01637182 [0,0,0,0,0,1|3,0,0]=4 1026 B12R0.72 C=CC[C@H](C)OCCSC(C)(C)C bfff57a1e6a96cc2b493489cebba1d14 [0,0,0,0,0,1|3,0,0]=4 1027 B12R0.72 CC#CC(C)OCCCC(C)(C)O 232bf13eab5d412897deca30ea7cf802 [0,0,0,0,0,1|1,0,2]=4 1028 B12R0.72 CC(C)(C)CCCNC(=O)CC=O 1c39ca6a9046d584f2f0f99594af738f [0,0,0,0,0,1|2,0,1]=4 1029 B12R0.72 CC(C)(O)CCCNC(=O)CC=O a5041bb81ab6f0a0a02e691c6f5cfeeb [0,0,0,0,0,1|1,0,1]=3 1030 B12R0.72 CC(C)(O)CCNCC(O)CC#N b65ac7980de525c3dd7e1ffb629b7390 [0,0,0,0,0,1|2,0,1]=4 1031 B12R0.72 CC(C)(O)CCNC[C@@H](O)CC#N 7c3b6589960d6bd8555a4497300087d3 [0,0,0,0,0,1|2,0,1]=4 1032 B12R0.72 CC(C)(O)CCNC[C@@H](O)CCO 0b54f98683aa9cae960b8c153c9884b5 [0,0,0,0,0,1|1,0,2]=4 1033 B12R0.72 CC(C)(O)CCNC[C@H](O)CC#N 55d870d58cac59a8761eeb89863de487 [0,0,0,0,0,1|2,0,1]=4 1034 B12R0.72 CC(CC#N)NCCCC(C)(C)C df238ff8aa70d569c56f049ab82225dd [0,0,0,0,0,1|2,0,1]=4 1035 B12R0.72 CC(CC#N)NCCCC(C)(C)O b115a96970ab333fdb9a1c474eec4169 [0,0,0,0,0,1|1,0,1]=3 1036 B12R0.72 CC(CC#N)OCCCC(C)(C)C 91e6a76f241b3bc9143488354b26d3d5 [0,0,0,0,0,1|2,0,1]=4 1037 B12R0.72 CC(CC#N)OCCCC(C)(C)O c8358e25f98f6597da7a1f7b9a675cb7 [0,0,0,0,0,1|1,0,1]=3 1038 B12R0.72 CC(CCO)CNCCC(C)(C)C 0cdd5dbe368314790effb371597e8a97 [0,0,0,0,0,1|1,0,2]=4 1039 B12R0.72 CC(CCO)CNCCC(C)(C)O ffd7a6ade825a87e43c7064b61bd679f [0,0,0,0,0,1|0,0,2]=3 1040 B12R0.72 CC(CCO)NCCCC(C)(C)C c6d8b8a2cc3314d42a4de24d6f5574ec [0,0,0,0,0,1|1,0,2]=4 1041 B12R0.72 CC(CCO)NCCCC(C)(C)O b541c146be96a18dddc765313c868b18 [0,0,0,0,0,1|0,0,2]=3 1042 B12R0.72 CC=CC(C)OCCCC(C)(C)O f1f9ed8a14886a384324671954045b01 [0,0,0,0,0,1|1,0,1]=3 1043 B12R0.72 CCCC(C)CCOCC(C)(C)C 030587a8328c82b090befa92f132f775 [0,0,0,0,0,1|2,0,1]=4 1044 B12R0.72 CCCC(C)CCOCC(C)(C)F 4ce68dc370588ab9b2d678f469d5722d [0,0,0,0,0,1|2,0,1]=4 1045 B12R0.72 CCCC(C)CCOCC(C)(C)O 8e212eea2617f24d221d9020c94d22df [0,0,0,0,0,1|1,0,1]=3 1046 B12R0.72 CCCC(C)CNCCC(C)(C)C 6eb2831a566873d779ee3e44a4e65d00 [0,0,0,0,0,1|2,0,1]=4 1047 B12R0.72 CCCC(C)CNCCC(C)(C)O cb139bbdd9ce31298d00405dd5098492 [0,0,0,0,0,1|1,0,1]=3 1048 B12R0.72 CCCC(C)COCCC(C)(C)C bbe5ea576c0e2ec347421dbdda5662c9 [0,0,0,0,0,1|2,0,1]=4 1049 B12R0.72 CCCC(C)COCCC(C)(C)O 6b96b0602d202f24720469a996e5d36d [0,0,0,0,0,1|1,0,1]=3 1050 B12R0.72 CCCC(C)COCCC(C)(C)S a9c98d9a5261b705075820cd567588b3 [0,0,0,0,0,1|1,1,1]=4 1051 B12R0.72 CCCC(C)NCCCC(C)(C)C ae19e0631e5af5fb651c9bb7ed66fdee [0,0,0,0,0,1|2,0,1]=4 1052 B12R0.72 CCCC(C)NCCCC(C)(C)O d4aadaafda1017b9584ee6ad81dc55dd [0,0,0,0,0,1|1,0,1]=3 1053 B12R0.72 CCCC(C)OCCCC(C)(C)C 40f767be22fbb561744e7cb6397f6bbe [0,0,0,0,0,1|2,0,1]=4 1054 B12R0.72 CCCC(C)OCCCC(C)(C)O eb2d231ee06273860f24c96ddf2973d7 [0,0,0,0,0,1|1,0,1]=3 1055 B12R0.72 CCCC(O)CNCCC(C)(C)O fa2baf96bd85152b578ad15d5bba20ec [0,0,0,0,0,1|2,0,1]=4 1056 B12R0.72 CCCC(S)CCOCC(C)(C)O 77c5347c2723faa510b4c9bec7c205f9 [0,0,0,0,0,1|2,0,1]=4 1057 B12R0.72 CCC[C@@H](C)OCCCC(C)(C)O b45da7ae9b988aefa88b26e31a4aaafb [0,0,0,0,0,1|1,0,1]=3 1058 B12R0.72 CCC[C@H](C)NCCCC(C)(C)O 06fb2de8f4ccd7700f188d5de22e05e9 [0,0,0,0,0,1|1,0,1]=3 1059 B12R0.72 CCC[C@H](C)OCCCC(C)(C)O f0b630a9b39be12540340c77daec2aac [0,0,0,0,0,1|1,0,1]=3 1060 B12R0.72 CCOC(C)CNCCC(C)(C)O 28d18b0bfe1a2c2803aa928cf945f051 [0,0,0,0,0,1|2,0,1]=4 1061 B12R0.72 CCOC(C)COCCC(C)(C)O f34155230b11723250cae03c9f309c71 [0,0,0,0,0,1|2,0,1]=4 1062 B12R0.72 CN(CC#N)CCOCC(C)(C)O f9ff4f629e5d384646d706719a8deb2e [0,0,0,0,0,1|2,0,1]=4 1063 B12R0.72 CN(CCO)CCNCC(C)(C)O 8b44e29cfb5db9dc73df455641803cb8 [0,0,0,0,0,1|1,0,2]=4 1064 B12R0.72 COCC(C)COCCC(C)(C)C 232b4c2eede094166c4dfe539a370fe2 [0,0,0,0,0,1|3,0,0]=4 1065 B12R0.72 COCC(C)COCCC(C)(C)O d516c388d7aff245051d50a3cecfa5f8 [0,0,0,0,0,1|2,0,0]=3 1066 B12R0.72 COCC(C)NCCCC(C)(C)C c5b6250aa99588b8b2f705ff5e792702 [0,0,0,0,0,1|3,0,0]=4 1067 B12R0.72 COCC(C)NCCCC(C)(C)O e608a929fea9acea239de071b634ce42 [0,0,0,0,0,1|2,0,0]=3 1068 B12R0.72 COCC(C)OCCCC(C)(C)C e138fe69b0e369dd150e680eb7a531b3 [0,0,0,0,0,1|3,0,0]=4 1069 B12R0.72 COCC(C)OCCCC(C)(C)O c7dd01193259b4f600bb4a2ee83b977e [0,0,0,0,0,1|2,0,0]=3 1070 B12R0.72 COCC(O)CNCCC(C)(C)O e56f2d03d367f7a5179e74579a41f759 [0,0,0,0,0,1|3,0,0]=4 1071 B12R0.72 COC[C@@H](C)NCCCC(C)(C)O a5f06936f19ee3c7fffa110168122843 [0,0,0,0,0,1|2,0,0]=3 1072 B12R0.72 COC[C@@H](C)OCCCC(C)(C)O 85aa8dd4e6d4c2e2843f7fabcbb60093 [0,0,0,0,0,1|2,0,0]=3 1073 B12R0.72 COC[C@@H](O)CNCCC(C)(C)O b3c83366d7eb6f96fc185a6629c96a9b [0,0,0,0,0,1|3,0,0]=4 1074 B12R0.72 COC[C@H](C)COCCC(C)(C)C fd526b4f88b01f11ecc228e5935aae7a [0,0,0,0,0,1|3,0,0]=4 1075 B12R0.72 COC[C@H](C)COCCC(C)(C)O fa3729f5cafbe181774432e851f392e1 [0,0,0,0,0,1|2,0,0]=3 1076 B12R0.72 COC[C@H](C)NCCCC(C)(C)O 94d238983258e8d8f78a11f54259d57e [0,0,0,0,0,1|2,0,0]=3 1077 B12R0.72 COC[C@H](C)OCCCC(C)(C)O 1c3942f7c9b33b5ae14db4d7a473ee94 [0,0,0,0,0,1|2,0,0]=3 1078 B12R0.72 CSCC(C)OCCCC(C)(C)O 5840fb05669ff0e1948006a8c1fcaaa4 [0,0,0,0,0,1|2,0,0]=3 1079 B12R0.72 C[C@@H](CC#N)OCCCC(C)(C)O f2e9e9fb1d236be71fa231b80b521377 [0,0,0,0,0,1|1,0,1]=3 1080 B12R0.72 C[C@@H](CCO)NCCCC(C)(C)O 0092d9063ec12c632ffb3b1a760c68f8 [0,0,0,0,0,1|0,0,2]=3 1081 B12R0.72 C[C@H](CC#N)OCCCC(C)(C)O c535eafc9eb677550c3f159701892acb [0,0,0,0,0,1|1,0,1]=3 1082 B12R0.72 C[C@H](CCO)NCCCC(C)(C)O 1be50d7d720c44559c187e4e2011c9e1 [0,0,0,0,0,1|0,0,2]=3 1083 B9R0.1 C=CC(C)COCC(C)C e0135e03dc1f6256c2c2c3edfa52760f [2,0,0,0,0,0|1,0,1]=4 1084 B9R0.1 C=CC(C)NCCC(C)C 20ba7a01acd10720940a856f95313f84 [2,0,0,0,0,0|1,0,1]=4 1085 B9R0.1 C=CC(C)NCCC(C)O d01f29e8014795af299f102771cf2b60 [2,0,0,0,0,0|1,0,1]=4 1086 B9R0.1 C=CC(C)NCC[C@@H](C)O 544a1897e226f54a3ec3b9e01803177e [2,0,0,0,0,0|1,0,1]=4 1087 B9R0.1 C=CC(C)NCC[C@H](C)O ef01d9050b04a036fcbd14fbcccd41ca [2,0,0,0,0,0|1,0,1]=4 1088 B9R0.1 C=CC(C)OCCC(C)C e46c6d9ac740df5977e8822742859261 [2,0,0,0,0,0|1,0,1]=4 1089 B9R0.1 C=C[C@H](C)OCCC(C)C 1851092b6455955b808276d41966666f [2,0,0,0,0,0|1,0,1]=4 1090 B9R0.1 CC(C)CCNC(C)C=O 3221f606f7956b43deb70e498d061682 [2,0,0,0,0,0|1,0,0]=3 1091 B9R0.1 CC(C)CCNC(C)CO aa430967dd331e3519a6dcdcfc13b090 [2,0,0,0,0,0|1,0,1]=4 1092 B9R0.1 CC(C)CCN[C@@H](C)CO 001e01f3546de52ffc9bebb68e24b6f7 [2,0,0,0,0,0|1,0,1]=4 1093 B9R0.1 CC(C)CCN[C@H](C)C=O 2c72716bb9100d915860d6fe0bb8b954 [2,0,0,0,0,0|1,0,0]=3 1094 B9R0.1 CC(C)CCN[C@H](C)CO 31f7661466d06c5fb902c8e44c148203 [2,0,0,0,0,0|1,0,1]=4 1095 B9R0.1 CC(C)CCOC(C)C=O a17976d3f6b33051782311e304dbeca6 [2,0,0,0,0,0|1,0,0]=3 1096 B9R0.1 CC(C)CCOC(C)CF 15a51ebc2fe54421e1cbae3749791711 [2,0,0,0,0,0|2,0,0]=4 1097 B9R0.1 CC(C)CCOC(C)CS ca0338d0fbe5de79fa40b649ba054b3c [2,0,0,0,0,0|1,1,0]=4 1098 B9R0.1 CC(C)CCO[C@H](C)C=O dfcd411730780daa50a107e27e8788c3 [2,0,0,0,0,0|1,0,0]=3 1099 B9R0.1 CC(C)CCO[C@H](C)CS f04d2e77c5253d6099a1c503e54a2d8d [2,0,0,0,0,0|1,1,0]=4 1100 B9R0.1 CC(C)CNCC(C)CO 2a64f45bbf7f87898c449dde5e36c0b6 [2,0,0,0,0,0|1,0,1]=4 1101 B9R0.1 CC(C)CNC[C@@H](C)CO 95362823e51b3806e49376eaf3a8805e [2,0,0,0,0,0|1,0,1]=4 1102 B9R0.1 CC(C)CNC[C@H](C)CO 940c9a5067c16f348aef905a718c2be7 [2,0,0,0,0,0|1,0,1]=4 1103 B9R0.1 CC(C)NCC[C@@H](C)CO 0d44e2b3750a028fb6b8e0fd94d62e34 [2,0,0,0,0,0|1,0,1]=4 1104 B9R0.1 CC(C)OCCN(C)C=O 2dcb2fc4fd19abf044c53b767f997aad [2,0,0,0,0,0|2,0,0]=4 1105 B9R0.1 CC(C)OCOC(C)C=O 00b2414932ee986b1deaf039b55189b7 [2,0,0,0,0,0|2,0,0]=4 1106 B9R0.1 CC(C=O)NCCN(C)C 968e2688542ca14f9807b401309fffe8 [2,0,0,0,0,0|2,0,0]=4 1107 B9R0.1 CC(C=O)NCC[C@@H](C)O 2863e281760f2e623fa07b84044ce5a7 [2,0,0,0,0,0|1,0,0]=3 1108 B9R0.1 CC(C=O)NCC[C@H](C)O 47dc5580379526f559cc3700640942f7 [2,0,0,0,0,0|1,0,0]=3 1109 B9R0.1 CC(C=O)OCCN(C)C 994f39dd6fea5439e8ac2578c26c081b [2,0,0,0,0,0|2,0,0]=4 1110 B9R0.1 CC(CO)CCNC(C)C 0398f6be4ce4d2b850f69ba682c08eca [2,0,0,0,0,0|1,0,1]=4 1111 B9R0.1 CC(CO)CNC[C@@H](C)O af2505fa57b75db9d3136b3baafbdb52 [2,0,0,0,0,0|1,0,1]=4 1112 B9R0.1 CC(CO)CNC[C@H](C)O 47e81ecb2a52d6ac0870c65e6c741612 [2,0,0,0,0,0|1,0,1]=4 1113 B9R0.1 CC(CO)NCC[C@@H](C)O 8ac20fe5e438d57839d010ec09e515e0 [2,0,0,0,0,0|1,0,1]=4 1114 B9R0.1 CC(CO)NCC[C@H](C)O ad53b4c623e268f6c14e04be8e351bbe [2,0,0,0,0,0|1,0,1]=4 1115 B9R0.1 CC(O)CCNC(C)C=O 102e4a6aec885aac6cd0f6cd19f9a5a8 [2,0,0,0,0,0|1,0,0]=3 1116 B9R0.1 CC(O)CCNC(C)CO 6f7e5384403a1428776ce25e5a48505b [2,0,0,0,0,0|1,0,1]=4 1117 B9R0.1 CC(O)CCN[C@@H](C)CO 796717b45cec7a98443fc0fa21987679 [2,0,0,0,0,0|1,0,1]=4 1118 B9R0.1 CC(O)CCN[C@H](C)C=O a300521a84a916f59f3cd17f203ac23d [2,0,0,0,0,0|1,0,0]=3 1119 B9R0.1 CC(O)CCN[C@H](C)CO fd0f70c5c17d11ec18124a0dd658e813 [2,0,0,0,0,0|1,0,1]=4 1120 B9R0.1 CC(O)CNCC(C)CO b578b3b6503ef5585dabddd81a94ef06 [2,0,0,0,0,0|1,0,1]=4 1121 B9R0.1 CC(O)CNC[C@@H](C)CO 52cd8533941f9881f8f8f65659d4cfbb [2,0,0,0,0,0|1,0,1]=4 1122 B9R0.1 CC(O)CNC[C@H](C)CO b5b0c08f870e6e8468c38473c651f0b5 [2,0,0,0,0,0|1,0,1]=4 1123 B9R0.1 CCC(C)CCNC(C)C 7d863627072a3e972ee662581c6211d0 [2,0,0,0,0,0|1,0,1]=4 1124 B9R0.1 CCC(C)CCOC(C)C 929786850171f5229cc952fd809eacfd [2,0,0,0,0,0|1,0,1]=4 1125 B9R0.1 CCC(C)CNCC(C)C c91ba420827669b78a17ab1723d3a41f [2,0,0,0,0,0|1,0,1]=4 1126 B9R0.1 CCC(C)CNCC(C)O 2565fefe893fb592504bf3eb9b9f9263 [2,0,0,0,0,0|1,0,1]=4 1127 B9R0.1 CCC(C)CNC[C@@H](C)O 3206056fc3d595c27a3727eeef23ed1b [2,0,0,0,0,0|1,0,1]=4 1128 B9R0.1 CCC(C)CNC[C@H](C)O 7518c3737ca09a588caddc5048aac33b [2,0,0,0,0,0|1,0,1]=4 1129 B9R0.1 CCC(C)COCC(C)C eaf8b156df77175e430aad40f45ec202 [2,0,0,0,0,0|1,0,1]=4 1130 B9R0.1 CCC(C)NCCC(C)C 237b74bb8f3ac96e63644aaf6885a312 [2,0,0,0,0,0|1,0,1]=4 1131 B9R0.1 CCC(C)NCCC(C)O dda59110f1c0fb7493f1aaff05307dd4 [2,0,0,0,0,0|1,0,1]=4 1132 B9R0.1 CCC(C)NCC[C@@H](C)O fb3a959625849719803d70bc59f6fd53 [2,0,0,0,0,0|1,0,1]=4 1133 B9R0.1 CCC(C)NCC[C@H](C)O b64181209b00f8f962601d14c2173d61 [2,0,0,0,0,0|1,0,1]=4 1134 B9R0.1 CCC(C)OCCC(C)C ecabe412cdca600dcd92abc88ba6fc3b [2,0,0,0,0,0|1,0,1]=4 1135 B9R0.1 CCN(C)CCCC(C)C b23f0e35078e778ace5030dbc968cf57 [2,0,0,0,0,0|1,0,1]=4 1136 B9R0.1 CCN(C)CCCC(C)O d0c3297e37577cc9f646df2cbf76e9af [2,0,0,0,0,0|1,0,1]=4 1137 B9R0.1 CC[C@@H](C)CNCC(C)C 36bf90d4df68d6ba1a435cae2e2652fe [2,0,0,0,0,0|1,0,1]=4 1138 B9R0.1 CC[C@@H](C)CNCC(C)O 0edb135055cb737a4bc90c1f8270c4d7 [2,0,0,0,0,0|1,0,1]=4 1139 B9R0.1 CC[C@@H](C)CNC[C@@H](C)O 06548bb51537ad4c28c0633d716d339d [2,0,0,0,0,0|1,0,1]=4 1140 B9R0.1 CC[C@@H](C)CNC[C@H](C)O cab093f359def90f74c49583fd552bc4 [2,0,0,0,0,0|1,0,1]=4 1141 B9R0.1 CC[C@@H](C)COCC(C)C 8edc2a86fb26cc70e478a98d42c1a1ff [2,0,0,0,0,0|1,0,1]=4 1142 B9R0.1 CC[C@@H](C)NCCC(C)C d11d0748dfe468c717dc13a70caaa389 [2,0,0,0,0,0|1,0,1]=4 1143 B9R0.1 CC[C@@H](C)NCCC(C)O b7f70e273fce08932540a42165eb9d86 [2,0,0,0,0,0|1,0,1]=4 1144 B9R0.1 CC[C@@H](C)OCCC(C)C 5e526274912eb5b83acbe56b998005ec [2,0,0,0,0,0|1,0,1]=4 1145 B9R0.1 CC[C@H](C)CCOC(C)C 21d14b839d0652e7dbba5b319f900434 [2,0,0,0,0,0|1,0,1]=4 1146 B9R0.1 CC[C@H](C)CNCC(C)C af07901c9a5fbe0daddcc69f0a9bb778 [2,0,0,0,0,0|1,0,1]=4 1147 B9R0.1 CC[C@H](C)CNCC(C)O acb0f2f402bde2189761235f28bd8537 [2,0,0,0,0,0|1,0,1]=4 1148 B9R0.1 CC[C@H](C)CNC[C@@H](C)O 8c9a2e8bd3820ab9cbf6410eab31b4a5 [2,0,0,0,0,0|1,0,1]=4 1149 B9R0.1 CC[C@H](C)CNC[C@H](C)O 23768e5495769b3c846ea18f18258f86 [2,0,0,0,0,0|1,0,1]=4 1150 B9R0.1 CC[C@H](C)COCC(C)C 4fb7c7027dde00d01a52bf325d5048bb [2,0,0,0,0,0|1,0,1]=4 1151 B9R0.1 CC[C@H](C)NCCC(C)C 968c312d0d0d1e42fbc93983e612e83d [2,0,0,0,0,0|1,0,1]=4 1152 B9R0.1 CC[C@H](C)NCCC(C)O 2749dbaaf30a780792b4813830b0935f [2,0,0,0,0,0|1,0,1]=4 1153 B9R0.1 CC[C@H](C)OCCC(C)C 56bb245514a6dc3ef9381d0b1123e92c [2,0,0,0,0,0|1,0,1]=4 1154 B9R0.1 CN(C)CCCN(C)C=O ed603025d2d59aa53dc1a2e364147b5e [2,0,0,0,0,0|2,0,0]=4 1155 B9R0.1 C[C@@H](CO)CNC[C@@H](C)O 94e5d000161cd57d789b79426a54d9a9 [2,0,0,0,0,0|1,0,1]=4 1156 B9R0.1 C[C@@H](CO)CNC[C@H](C)O 6f3e572c3cb1772de670e4af4bc384a7 [2,0,0,0,0,0|1,0,1]=4 1157 B9R0.1 C[C@@H](O)CCN[C@@H](C)CO a71fb686540e4ec33b5180342c443c5e [2,0,0,0,0,0|1,0,1]=4 1158 B9R0.1 C[C@H](C=O)NCCN(C)C 60db3610b0feaf3c59c8969c3c9de686 [2,0,0,0,0,0|2,0,0]=4 1159 B9R0.1 C[C@H](C=O)NCC[C@@H](C)O b61fc1d13b13915b53d20f0a8e3c9419 [2,0,0,0,0,0|1,0,0]=3 1160 B9R0.1 C[C@H](C=O)OCCN(C)C c089a41ca48814b3b3a9e8546fff953d [2,0,0,0,0,0|2,0,0]=4 1161 B9R0.1 C[C@H](CO)CNC[C@@H](C)O 48769ee9bafd9ea5d8b17fbfef36f7c1 [2,0,0,0,0,0|1,0,1]=4 1162 B9R0.1 C[C@H](CO)CNC[C@H](C)O 577c96bea6c0a93ea8722079a031d745 [2,0,0,0,0,0|1,0,1]=4 1163 B9R0.1 C[C@H](CO)NCC[C@@H](C)O 7b76000cb241536505e7d7f723270b1c [2,0,0,0,0,0|1,0,1]=4 1164 B9R0.1 C[C@H](O)CCN[C@@H](C)CO b8a9d3095d2e4d755b66cfac1759e6f4 [2,0,0,0,0,0|1,0,1]=4 1165 B9R0.1 C[C@H](O)CCN[C@H](C)C=O 84460b24e697c1c62e7c6e55b85b6954 [2,0,0,0,0,0|1,0,0]=3 1166 B9R0.1 C[C@H](O)CCN[C@H](C)CO 97a4c9e55265b6ba807d7b3c1251c82f [2,0,0,0,0,0|1,0,1]=4 1167 B9R0.2 C=CCCCCNC(C)C 83b8cd91d9fc83d66ce313beef45089c [2,0,0,0,0,0|2,0,0]=4 1168 B9R0.2 C=CCCCCOC(C)C 3cfc8aac993bdcac35393799ce22521b [2,0,0,0,0,0|2,0,0]=4 1169 B9R0.2 C=CCCCNCC(C)C 62ec41d1afa0af4d7423b970903e54b2 [2,0,0,0,0,0|2,0,0]=4 1170 B9R0.2 C=CCCCNCC(C)O 4a3b6f82c18763a4fc62f442d8f6e078 [2,0,0,0,0,0|2,0,0]=4 1171 B9R0.2 C=CCCCNC[C@@H](C)O 983f0c675aea640173991cab18e2df22 [2,0,0,0,0,0|2,0,0]=4 1172 B9R0.2 C=CCCCNC[C@H](C)O a263ed32c61d1371d0b28eb47dc2375c [2,0,0,0,0,0|2,0,0]=4 1173 B9R0.2 C=CCCCOCC(C)C 65d5a16810333c61b1decb3cdf4c633e [2,0,0,0,0,0|2,0,0]=4 1174 B9R0.2 C=CCCNCCC(C)C fae91ca1d68c6146fdd58721047b97e7 [2,0,0,0,0,0|2,0,0]=4 1175 B9R0.2 C=CCCNCCC(C)O b8492dec9a37e008414ce0bf89db15b0 [2,0,0,0,0,0|2,0,0]=4 1176 B9R0.2 C=CCCNCC[C@@H](C)O f3546862ad4e759378d31e927269ce7b [2,0,0,0,0,0|2,0,0]=4 1177 B9R0.2 C=CCCNCC[C@H](C)O a2cdfa15e30295a5704136a6f7dfa9db [2,0,0,0,0,0|2,0,0]=4 1178 B9R0.2 C=CCCOCCC(C)C 792c9a1755bacca74235abb3c322c011 [2,0,0,0,0,0|2,0,0]=4 1179 B9R0.2 C=CCNCCCC(C)C b5ede8a56364bb106084a5388e2bd2f9 [2,0,0,0,0,0|2,0,0]=4 1180 B9R0.2 C=CCOCCCC(C)C ce1ea84c12026359cf2725f08aa7a070 [2,0,0,0,0,0|2,0,0]=4 1181 B9R0.2 CC(C)CCCNCC=O a9635929cb5f6673003ac83cb324a189 [2,0,0,0,0,0|1,0,0]=3 1182 B9R0.2 CC(C)CCCOCC=O bdd24f9b5eb3e927a3ba2032fbfb17f1 [2,0,0,0,0,0|1,0,0]=3 1183 B9R0.2 CC(C)CCNCCC=O 3b8ed8b8e431e36419922df1c8d0950c [2,0,0,0,0,0|1,0,0]=3 1184 B9R0.2 CC(C)CCOCCC=O 35e5fe09d7f172e01a3fc9fb57f41a74 [2,0,0,0,0,0|1,0,0]=3 1185 B9R0.2 CC(C)CNCCCC=O 872fc89896121b754faaba603a4d1689 [2,0,0,0,0,0|1,0,0]=3 1186 B9R0.2 CC(C)COCCCC=O 9c821c872d407f7f9bdf7808cd327ff2 [2,0,0,0,0,0|1,0,0]=3 1187 B9R0.2 CC(C)COCCNC=O a0952173bb62da1f84f22c4def655b76 [2,0,0,0,0,0|2,0,0]=4 1188 B9R0.2 CC(C)COCCOC=O 93375745bf75f1308b2bac5c5e314bd3 [2,0,0,0,0,0|2,0,0]=4 1189 B9R0.2 CC(C)OCCCCC=O 2da322abd65c1cb61d17df904562e2b4 [2,0,0,0,0,0|1,0,0]=3 1190 B9R0.2 CC(C)OCCCNC=O e96409307329684ed58a23e721f30ca6 [2,0,0,0,0,0|2,0,0]=4 1191 B9R0.2 CC(C)OCCNCC=O 1a7a2cf22052b650c8e58252eaeb1cb4 [2,0,0,0,0,0|2,0,0]=4 1192 B9R0.2 CC(C)OCCOCC=O c04cf462a61c105059017408cf9c4096 [2,0,0,0,0,0|2,0,0]=4 1193 B9R0.2 CC(C)OCOCCC=O 66572ae7050e7e05d12f1f1921ab4ac8 [2,0,0,0,0,0|2,0,0]=4 1194 B9R0.2 CC(C)SCCCNC=O df15df0d049edf2c640ed4bbc56cdc64 [2,0,0,0,0,0|2,0,0]=4 1195 B9R0.2 CC(C)SCCOCC=O ec08f3bf045b5d5c092598851c9109d0 [2,0,0,0,0,0|2,0,0]=4 1196 B9R0.2 CC(F)COCCCC=O 45096cdcd588570c1ee49532928d3413 [2,0,0,0,0,0|2,0,0]=4 1197 B9R0.2 CC(O)CCNCCC=O dad92ac32d5c5e0bc77e419c63b4a071 [2,0,0,0,0,0|1,0,0]=3 1198 B9R0.2 CC(O)CNCCCC=O daeba85824bf9b8a7fe9f07668cb65d2 [2,0,0,0,0,0|1,0,0]=3 1199 B9R0.2 CC(S)COCCCC=O 2376ada453809bf361ec74ea138f968f [2,0,0,0,0,0|1,1,0]=4 1200 B9R0.2 CN(C)CCCCNC=O 2e9bad4ba89324f58cb42b7773bcd69a [2,0,0,0,0,0|2,0,0]=4 1201 B9R0.2 CN(C)CCCNCC=O 7d52061dd0a0d514529c02eed3fc5b77 [2,0,0,0,0,0|2,0,0]=4 1202 B9R0.2 CN(C)CCCOCC=O 832c37008deaf52143ba2beb28b0537b [2,0,0,0,0,0|2,0,0]=4 1203 B9R0.2 CN(C)CCNCCC=O e6cbbab1a7c2eacf75bcc7a77647ba3f [2,0,0,0,0,0|2,0,0]=4 1204 B9R0.2 CN(C)CCOCCC=O 88e57e3491dfa651d80263e6f2c2bd5b [2,0,0,0,0,0|2,0,0]=4 1205 B9R0.2 CN(C)COCCCC=O fd8e33d9fc59badb6f3ed3300d9814e7 [2,0,0,0,0,0|2,0,0]=4 1206 B9R0.2 C[C@@H](F)COCCCC=O 15ec93434fa37469dace6cc0d307b1c7 [2,0,0,0,0,0|2,0,0]=4 1207 B9R0.2 C[C@@H](O)CCNCCC=O 6661f70d05883b3717e63de7ccf03505 [2,0,0,0,0,0|1,0,0]=3 1208 B9R0.2 C[C@@H](O)CNCCCC=O 6e8902a63b22adf010822e70d20b9de4 [2,0,0,0,0,0|1,0,0]=3 1209 B9R0.2 C[C@H](F)COCCCC=O cd3cf6e1ccde2460618b3cd07e9f0c33 [2,0,0,0,0,0|2,0,0]=4 1210 B9R0.2 C[C@H](O)CCNCCC=O 3db470150683485e06f6af186a125748 [2,0,0,0,0,0|1,0,0]=3 1211 B9R0.2 C[C@H](O)CNCCCC=O 97a2309139eba09278aa90c3d2821b80 [2,0,0,0,0,0|1,0,0]=3 1212 B9R0.5 C=CCC(C)CNCCC 57145e6cde5992e28644e2005aca4a52 [2,0,0,0,0,0|2,0,0]=4 1213 B9R0.5 C=CCC(C)CNCCO b1c76f86992fcbee1b7d1c7d41290de7 [2,0,0,0,0,0|2,0,0]=4 1214 B9R0.5 C=CCC(C)COCCC 7e85aeea39477af9cfd8878a56719121 [2,0,0,0,0,0|2,0,0]=4 1215 B9R0.5 C=CCC(C)OCCCC f19d39a50fdfd6ad2267d2fbf05a2b41 [2,0,0,0,0,0|2,0,0]=4 1216 B9R0.5 C=CCN(C)CCCCC 0b10691c54227c175c8cdf0755b7f63b [2,0,0,0,0,0|2,0,0]=4 1217 B9R0.5 C=CCN(C)CCCCO 74efae547ca8f949258fbbc30ab6e258 [2,0,0,0,0,0|2,0,0]=4 1218 B9R0.5 C=CC[C@@H](C)OCCCC b20fd45ea1dd5c3cccb6f7a22cc0e480 [2,0,0,0,0,0|2,0,0]=4 1219 B9R0.5 C=CC[C@H](C)OCCCC 591b4bbc39f98a534a3a9dc1d5e7fa51 [2,0,0,0,0,0|2,0,0]=4 1220 B9R0.5 CCCCCC(C)NC=O 8ebcf0f9aaad2891aad2d805d5730b90 [2,0,0,0,0,0|1,0,0]=3 1221 B9R0.5 CCCCCN(C)CC=O 78bb5a09a7732691e4b2ef4ef4683cdd [2,0,0,0,0,0|1,0,0]=3 1222 B9R0.5 CCCCC[C@H](C)NC=O e9ec5cd528aff38be097392db8efa5ac [2,0,0,0,0,0|1,0,0]=3 1223 B9R0.5 CCOCCN(C)CC=O 7acec88657f57cb021d93d1cfad83ba5 [2,0,0,0,0,0|2,0,0]=4 1224 B9R0.5 CN(CC=O)CCCCO 837ff6a1ec2106692e579c582051f56a [2,0,0,0,0,0|1,0,0]=3 1225 B9R0.5 COCCCN(C)CC=O 635fdf23af030f1cf489d4fee368aafe [2,0,0,0,0,0|2,0,0]=4 1226 B9R0.38 C=CCCNCC(C)(C)O 1085ac3801c63ddae4fe15cec1ce9da0 [2,0,0,0,0,0|1,0,1]=4 1227 B9R0.38 C=CCCOCC(C)(C)O 84d5dbc9d4436844382e56fa064e5adf [2,0,0,0,0,0|1,0,1]=4 1228 B9R0.38 C=CCNCCC(C)(C)O 830b73d0a057b8f2c4d319d4c2f4b4cb [2,0,0,0,0,0|1,0,1]=4 1229 B9R0.38 CC(C)(Br)COCCC=O 07bc544fb75d5711f89e4b858dc60cdd [2,0,0,0,0,0|2,0,0]=4 1230 B9R0.38 CC(C)(C)CCCNC=O ab087813a9043c3bd7763182d5f2cfc6 [2,0,0,0,0,0|2,0,0]=4 1231 B9R0.38 CC(C)(C)CCNCC=O b11b4c41361fc6d47b277f6a5fd01279 [2,0,0,0,0,0|2,0,0]=4 1232 B9R0.38 CC(C)(C)CCOCC=O 2359e92f971759a4c5237c904bc4f9f8 [2,0,0,0,0,0|2,0,0]=4 1233 B9R0.38 CC(C)(C)CNCCC=O 2b934ca9e0fcdd30551e2ea5cfb56f2b [2,0,0,0,0,0|2,0,0]=4 1234 B9R0.38 CC(C)(C)COCCC=O 797f41e3c995e4fb70bf8fa922cb7cec [2,0,0,0,0,0|2,0,0]=4 1235 B9R0.38 CC(C)(C)NCCCC=O ed7d5b5c61e32f958a633125d5515c19 [2,0,0,0,0,0|2,0,0]=4 1236 B9R0.38 CC(C)(F)CCNCC=O 8009619533d4fd9ce7e28284f979f814 [2,0,0,0,0,0|2,0,0]=4 1237 B9R0.38 CC(C)(F)COCCC=O 10b79b0e1e6c80aa51f3557dbd3fade1 [2,0,0,0,0,0|2,0,0]=4 1238 B9R0.38 CC(C)(O)CCCNC=O de33dcb2b76124e3e94eb8f78daccdd8 [2,0,0,0,0,0|1,0,0]=3 1239 B9R0.38 CC(C)(O)CCCNCF 90e8c2adbb34bf38c32d98fef7c06efd [2,0,0,0,0,0|2,0,0]=4 1240 B9R0.38 CC(C)(O)CCCNCO f6830582b07ea8a3948bbdbfc927befc [2,0,0,0,0,0|1,0,1]=4 1241 B9R0.38 CC(C)(O)CCNCC=O 4c5432fd7c465e098e88363005d64d55 [2,0,0,0,0,0|1,0,0]=3 1242 B9R0.38 CC(C)(O)CCNCCBr da91ab64365207b623c3e043a69cd1aa [2,0,0,0,0,0|2,0,0]=4 1243 B9R0.38 CC(C)(O)CCNCCF 00bf63c44b1982b6e7bc9f20b6c6f95d [2,0,0,0,0,0|2,0,0]=4 1244 B9R0.38 CC(C)(O)CCNCCI 1eac6b086d7651b8015bc73888322c69 [2,0,0,0,0,0|2,0,0]=4 1245 B9R0.38 CC(C)(O)CCNCCO 2ee28beaeb3dca181c7520a7757cf233 [2,0,0,0,0,0|1,0,1]=4 1246 B9R0.38 CC(C)(O)CCNCCS d8cdb7437f98797a0516e1d3780cc730 [2,0,0,0,0,0|1,1,0]=4 1247 B9R0.38 CC(C)(O)CCOCCF f8893d38819049e8bc0442939d3df08b [2,0,0,0,0,0|2,0,0]=4 1248 B9R0.38 CC(C)(O)CCOCCS ab639b6e9457b77e1fd34f2d7c58ab2e [2,0,0,0,0,0|1,1,0]=4 1249 B9R0.38 CC(C)(O)CNCCC=O bc990cdd02ab827c7f34196c1267a64f [2,0,0,0,0,0|1,0,0]=3 1250 B9R0.38 CC(C)(O)CNCCCCl 9efefd6965c94fd13c8990cbd67c3522 [2,0,0,0,0,0|2,0,0]=4 1251 B9R0.38 CC(C)(O)CNCCCF ef803b8c3a29585a601ca0828a306b03 [2,0,0,0,0,0|2,0,0]=4 1252 B9R0.38 CC(C)(O)CNCCCO 2f8639bd42a9328013ff5ca4fbed11f9 [2,0,0,0,0,0|1,0,1]=4 1253 B9R0.38 CC(C)(O)CNCCCS a16aabeb7df3049b54b32a5e2978ae4d [2,0,0,0,0,0|1,1,0]=4 1254 B9R0.38 CC(C)(O)COCCC=O c7cb3421bc2ec557cd4f15470b6b91d9 [2,0,0,0,0,0|1,0,0]=3 1255 B9R0.38 CC(C)(O)COCCCF d0788cbbc6ce3caa960a8bddb3bc4279 [2,0,0,0,0,0|2,0,0]=4 1256 B9R0.38 CC(C)(O)COCCCS 407483009e010ca64b4e0f57e8b02ff3 [2,0,0,0,0,0|1,1,0]=4 1257 B9R0.38 CC(C)(S)CCOCC=O 6cf959e0b641ea2b242f039c57d22a61 [2,0,0,0,0,0|1,1,0]=4 1258 B9R0.38 CC(C)(S)COCCC=O c8641d2333fb787adce7fadca7f9d391 [2,0,0,0,0,0|1,1,0]=4 1259 B9R0.38 CCCCNCC(C)(C)O 95fdb2e1bd57622c6c60528ab64a43bc [2,0,0,0,0,0|1,0,1]=4 1260 B9R0.38 CCCCOCC(C)(C)O 6a3687537efafc506d36570c020f8b8d [2,0,0,0,0,0|1,0,1]=4 1261 B9R0.38 CCCNCCC(C)(C)O bf4a91f204de8db06066cd5a44328705 [2,0,0,0,0,0|1,0,1]=4 1262 B9R0.38 CCCOCCC(C)(C)O ca832f1548b8f34b1a7f2f9a13a5c594 [2,0,0,0,0,0|1,0,1]=4 1263 B9R0.38 CCNCCCC(C)(C)O 15499cf28b521c8baad612d0cf53420f [2,0,0,0,0,0|1,0,1]=4 1264 B9R0.56 C=C(C)CNCC(C)(C)O 61935adea06a4afbd0d3404a03e43686 [2,0,0,0,0,0|1,0,1]=4 1265 B9R0.56 C=C(C)COCC(C)(C)O 4b3e4e4cad56bc6a1a068fb6c90a3c16 [2,0,0,0,0,0|1,0,1]=4 1266 B9R0.56 CC(=O)CNCC(C)(C)O 4768c2ef33c494cf1cb460ccf8992d46 [2,0,0,0,0,0|1,0,1]=4 1267 B9R0.56 CC(=O)COCC(C)(C)O 968af8323febdab174c481fb970167e4 [2,0,0,0,0,0|1,0,1]=4 1268 B9R0.56 CC(=O)NCCC(C)(C)O 09bac841bd2153dd8b07a31d7318af00 [2,0,0,0,0,0|1,0,1]=4 1269 B9R0.56 CC(C)CCNC(C)(C)C 0a276542af1d38ed53865c6c48d62802 [2,0,0,0,0,0|2,0,0]=4 1270 B9R0.56 CC(C)CNCC(C)(C)C 7997c18a7b13d27d1e9e60b03a0d552e [2,0,0,0,0,0|2,0,0]=4 1271 B9R0.56 CC(C)CNCC(C)(C)F acefeffe9d47cb4365c6f7349ec633ee [2,0,0,0,0,0|2,0,0]=4 1272 B9R0.56 CC(C)CNCC(C)(C)O 55a6795727651dc6bb928570ea3c87c8 [2,0,0,0,0,0|1,0,0]=3 1273 B9R0.56 CC(C)COCC(C)(C)Br ecb47d97e36d96b76a3898feecfc53fc [2,0,0,0,0,0|2,0,0]=4 1274 B9R0.56 CC(C)COCC(C)(C)C 4ffe32246c7d77bbb1cbe9eb4250307f [2,0,0,0,0,0|2,0,0]=4 1275 B9R0.56 CC(C)COCC(C)(C)F 7e56de1b82f2f6659fb5ca4c39dcea0f [2,0,0,0,0,0|2,0,0]=4 1276 B9R0.56 CC(C)COCC(C)(C)O f93cde77abf1ca1b7cdd468751deaadd [2,0,0,0,0,0|1,0,0]=3 1277 B9R0.56 CC(C)COCC(C)(C)S 2be11c3059256fbdbfa22e8495e2231e [2,0,0,0,0,0|1,1,0]=4 1278 B9R0.56 CC(C)NCCC(C)(C)C a4b473d402e07e825000d07a509f344d [2,0,0,0,0,0|2,0,0]=4 1279 B9R0.56 CC(C)NCCC(C)(C)F 9a1518e695d562131f8fc698e3e8d2d3 [2,0,0,0,0,0|2,0,0]=4 1280 B9R0.56 CC(C)NCCC(C)(C)O 03abc3e07e78e8ef71ecbbfdc1f051c5 [2,0,0,0,0,0|1,0,0]=3 1281 B9R0.56 CC(C)OCCC(C)(C)C 5c801305f8d02b6dc0a66a7ae1918286 [2,0,0,0,0,0|2,0,0]=4 1282 B9R0.56 CC(C)OCCC(C)(C)O 38132787d8ad654cd0616fc9176a2955 [2,0,0,0,0,0|1,0,0]=3 1283 B9R0.56 CC(C)OCCC(C)(C)S 5df7564adfc67f13e1736e5751c9128d [2,0,0,0,0,0|1,1,0]=4 1284 B9R0.56 CC(F)COCC(C)(C)O cf5554c5d89d65e2a1833d3d7bf27b69 [2,0,0,0,0,0|2,0,0]=4 1285 B9R0.56 CC(O)CNCC(C)(C)O 0bf00996e32678cc254a6456a9b49d9f [2,0,0,0,0,0|1,0,1]=4 1286 B9R0.56 CC(S)COCC(C)(C)O 4a3498d8318b7575cdf8a36dbd3521a3 [2,0,0,0,0,0|1,1,0]=4 1287 B9R0.56 CN(C)CNCC(C)(C)O 4ad9f362463a4378b9067ab773e4fe30 [2,0,0,0,0,0|2,0,0]=4 1288 B9R0.56 C[C@@H](F)COCC(C)(C)O 5e420afc1038c5878527b3a7106404a2 [2,0,0,0,0,0|2,0,0]=4 1289 B9R0.56 C[C@@H](O)CNCC(C)(C)O 2965a1474ef46ba45c23c23dfa8da31d [2,0,0,0,0,0|1,0,1]=4 1290 B9R0.56 C[C@H](F)COCC(C)(C)O b2ab87f2d04c1faf0f4dc333c7b63206 [2,0,0,0,0,0|2,0,0]=4 1291 B9R0.56 C[C@H](O)CNCC(C)(C)O 1c1d357114249daad2c78031fef5d940 [2,0,0,0,0,0|1,0,1]=4 1292 B11R0.1 C=CCC(C)CN(C)CC(C)C dfe7c893317a9b7145b8e06cd7a19db8 [1,1,0,0,0,0|2,0,0]=4 1293 B11R0.1 C=CCC(C)CN(C)CC(C)O a692a85225f820eeda7c26d3b2184588 [1,1,0,0,0,0|2,0,0]=4 1294 B11R0.1 C=CCC(C)CN(C)C[C@H](C)O dc1c4501c7b85625ca676875c6d69d8c [1,1,0,0,0,0|2,0,0]=4 1295 B11R0.1 C=CCC(C)OC(C)CC(C)C 99bb49563bbf76e3265d53a74488a3b4 [1,1,0,0,0,0|2,0,0]=4 1296 B11R0.1 C=CC[C@@H](C)OC(C)CC(C)C 95b2087a90046f5cfd52883a04563982 [1,1,0,0,0,0|2,0,0]=4 1297 B11R0.1 C=CC[C@H](C)OC(C)CC(C)C f5e77d38d71a1b7a553c0eae5a08d5a5 [1,1,0,0,0,0|2,0,0]=4 1298 B11R0.6 CC(=O)CN(C)CCOC(C)C ba3c576d8147626cf9b049945b01b110 [1,1,0,0,0,0|2,0,0]=4 1299 B11R0.6 CC(=O)NC(C)CCCC(C)C a1e8b5f53c6c07facbb948ebbde1fe9c [1,1,0,0,0,0|1,0,0]=3 1300 B11R0.6 CC(=O)NC(C)COCC(C)C 58dc033d3f0ad7bde69c54c4ff94924d [1,1,0,0,0,0|2,0,0]=4 1301 B11R0.6 CC(=O)N[C@H](C)COCC(C)C 580765b6d4db4efc9c37ad124c395e66 [1,1,0,0,0,0|2,0,0]=4 1302 B11R0.6 CC(=O)OC(C)NCCC(C)C fe6ccf7fb37d6fc7c7f33322295becaa [1,1,0,0,0,0|2,0,0]=4 1303 B11R0.6 CC(=O)OC(C)NCCC(C)O 6f3c65ce59f718408174e6cfe52db72f [1,1,0,0,0,0|2,0,0]=4 1304 B11R0.6 CC(=O)OC(C)NCC[C@@H](C)O b211c81e710d0df98e2b5f42185e6157 [1,1,0,0,0,0|2,0,0]=4 1305 B11R0.6 CC(=O)OC(C)NCC[C@H](C)O 3f34d75e219f2a6eb11e37df2aa0fb29 [1,1,0,0,0,0|2,0,0]=4 1306 B11R0.6 CC(=O)OC(C)OCCC(C)C 5055dae05a6e2ffcded6a7480c249efd [1,1,0,0,0,0|2,0,0]=4 1307 B11R0.6 CC(C)CCCN(C)CC(=O)N 5917853d346715abb13dbafb91136a6d [1,1,0,0,0,0|1,0,0]=3 1308 B11R0.6 CC(C)CCCN(C)CC(=O)O 581cd1f540f8bc6bebf2b9b03ad373f9 [1,1,0,0,0,0|1,0,0]=3 1309 B11R0.6 CC(C)CCNC(C)CC(=O)O 7bd89cfed6b7eae8093f45dc8310d3c5 [1,1,0,0,0,0|1,0,0]=3 1310 B11R0.6 CC(C)CCN[C@@H](C)CC(=O)O 3900296e0791478440863c5b6cc4487f [1,1,0,0,0,0|1,0,0]=3 1311 B11R0.6 CC(C)CCN[C@H](C)CC(=O)O 410161627a32fa148f61fc6358d644d2 [1,1,0,0,0,0|1,0,0]=3 1312 B11R0.6 CC(C)CCOC(C)CC(=O)N 52a9c867101d9a9a99fe4d6eaca397c8 [1,1,0,0,0,0|1,0,0]=3 1313 B11R0.6 CC(C)CCOC(C)CC(=O)O a88e70ee874d34c33118f49007658e3c [1,1,0,0,0,0|1,0,0]=3 1314 B11R0.6 CC(C)CCOC(C)C[N+](=O)[O-] c1343575f9ac5e72cd775cedc20ef473 [1,1,0,0,0,0|2,0,0]=4 1315 B11R0.6 CC(C)CCO[C@@H](C)CC(=O)O b8eb64908e7c0edb23784f0078906053 [1,1,0,0,0,0|1,0,0]=3 1316 B11R0.6 CC(C)CCO[C@H](C)CC(=O)O 7335bf0cb2d51fce336340ed56eb97a5 [1,1,0,0,0,0|1,0,0]=3 1317 B11R0.6 CC(C)CNCC(O)CC(=O)O 76da47fe4120e9ce274a033bb36c07bb [1,1,0,0,0,0|2,0,0]=4 1318 B11R0.6 CC(C)CNC[C@@H](O)CC(=O)O d1c4a030a95ab8bfda18d353494b286f [1,1,0,0,0,0|2,0,0]=4 1319 B11R0.6 CC(C)CNC[C@H](O)CC(=O)O eb894d8174843a29f8d58864ee94d749 [1,1,0,0,0,0|2,0,0]=4 1320 B11R0.6 CC(C)OCCN(C)CC(=O)N a10a1ceaa9bd40e510db17a8282ec556 [1,1,0,0,0,0|2,0,0]=4 1321 B11R0.6 CC(C)OCCN(C)CC(=O)O e63c210f2ef00c958ebba1fefb3418cf [1,1,0,0,0,0|2,0,0]=4 1322 B11R0.6 CC(C)OCN[C@@H](C)CC(=O)O 07f0319c116145101c83210b27f8fa7c [1,1,0,0,0,0|2,0,0]=4 1323 B11R0.6 CC(C)OCN[C@H](C)CC(=O)O c05e172822cebefd71d94a7b1706fe8c [1,1,0,0,0,0|2,0,0]=4 1324 B11R0.6 CC(C)OCOC(C)CC(=O)O cf2c9efdff6aa737fa9d7a171089094e [1,1,0,0,0,0|2,0,0]=4 1325 B11R0.6 CC(C)OCO[C@@H](C)CC(=O)O cc14ad5a9271737a0a5a9c6fe7a1709f [1,1,0,0,0,0|2,0,0]=4 1326 B11R0.6 CC(C)OCO[C@H](C)CC(=O)O 009a1ce5d4093c80a8dba5548cf24ca2 [1,1,0,0,0,0|2,0,0]=4 1327 B11R0.6 CC(C)SCCN(C)CC(=O)N 77891a01cb15d1e9c57e1cb1f66d1baa [1,1,0,0,0,0|2,0,0]=4 1328 B11R0.6 CC(C)SCCN(C)CC(=O)O 67015682f6856ba16c8a886cd5956654 [1,1,0,0,0,0|2,0,0]=4 1329 B11R0.6 CC(CC(=O)N)OCCN(C)C 1eae5c2c0e7e70c78cfe40410cdfc20f [1,1,0,0,0,0|2,0,0]=4 1330 B11R0.6 CC(CC(=O)O)NCCN(C)C 2eb3818b1aa4605f2c202406e171e2b2 [1,1,0,0,0,0|2,0,0]=4 1331 B11R0.6 CC(CC(=O)O)NCC[C@@H](C)O f34f979f4da659a4cb126c3ffd689cd6 [1,1,0,0,0,0|1,0,0]=3 1332 B11R0.6 CC(CC(=O)O)NCC[C@H](C)O 38a5e72663c0e6f705cca0ec9766346a [1,1,0,0,0,0|1,0,0]=3 1333 B11R0.6 CC(CC(=O)O)NCOC(C)C 33c6e9ee7340bea1b07bd63e642326a6 [1,1,0,0,0,0|2,0,0]=4 1334 B11R0.6 CC(CCOC(C)C)CC(=O)O 8cfa999a97729aeebcbdea93bfca8c97 [1,1,0,0,0,0|1,0,0]=3 1335 B11R0.6 CC(O)CCCN(C)CC(=O)N 82e29edc45cb287cddc10fc381f5dbed [1,1,0,0,0,0|1,0,0]=3 1336 B11R0.6 CC(O)CCCN(C)CC(=O)O 58a53839c9aa55ae691f3c9d7eefd233 [1,1,0,0,0,0|1,0,0]=3 1337 B11R0.6 CC(O)CCNC(C)CC(=O)O 76140eaf0db112fafe71c4f52cb32e5a [1,1,0,0,0,0|1,0,0]=3 1338 B11R0.6 CC(O)CCN[C@@H](C)CC(=O)O fcfd3c4904229a981c9ee80f2dd16963 [1,1,0,0,0,0|1,0,0]=3 1339 B11R0.6 CC(O)CCN[C@H](C)CC(=O)O 87ed9944812462d826d407f95b0f280b [1,1,0,0,0,0|1,0,0]=3 1340 B11R0.6 CC(O)CNCC(O)CC(=O)O 81165c6bf10209cbbb6bae1a43550979 [1,1,0,0,0,0|2,0,0]=4 1341 B11R0.6 CC(O)CNC[C@@H](O)CC(=O)O 2b747264f9aad332e150469f8a97c67e [1,1,0,0,0,0|2,0,0]=4 1342 B11R0.6 CC(O)CNC[C@H](O)CC(=O)O 28a480b3fe64ae5d13fe26fb64098ab7 [1,1,0,0,0,0|2,0,0]=4 1343 B11R0.6 CN(C)CCCN(C)CC(=O)N 9578de5a380155c94492f4b064ceba84 [1,1,0,0,0,0|2,0,0]=4 1344 B11R0.6 CN(C)CCCN(C)CC(=O)O 6987e85f5802f3ccede502bb358eb758 [1,1,0,0,0,0|2,0,0]=4 1345 B11R0.6 C[C@@H](CC(=O)O)NCCN(C)C 89b89286ace9c3fdf124251abf6f4657 [1,1,0,0,0,0|2,0,0]=4 1346 B11R0.6 C[C@@H](O)CNCC(O)CC(=O)O 0eece8472d38079e67d618eec555fc21 [1,1,0,0,0,0|2,0,0]=4 1347 B11R0.6 C[C@@H](O)CNC[C@@H](O)CC(=O)O 2394fb5da4ef5e222d283267b9de56cd [1,1,0,0,0,0|2,0,0]=4 1348 B11R0.6 C[C@@H](O)CNC[C@H](O)CC(=O)O f37b06015c0850ca9f010d421b2f90af [1,1,0,0,0,0|2,0,0]=4 1349 B11R0.6 C[C@H](CC(=O)O)NCCN(C)C 338398cf33658072c7ad90a65edcf1e7 [1,1,0,0,0,0|2,0,0]=4 1350 B11R0.6 C[C@H](O)CNCC(O)CC(=O)O 17f5eee8e8264ad2d7e3f0429522c686 [1,1,0,0,0,0|2,0,0]=4 1351 B11R0.6 C[C@H](O)CNC[C@@H](O)CC(=O)O 9f465275413b51a07eeb179316db7fb2 [1,1,0,0,0,0|2,0,0]=4 1352 B11R0.6 C[C@H](O)CNC[C@H](O)CC(=O)O 3d6488d337630d9f6b3fe056d69dd55e [1,1,0,0,0,0|2,0,0]=4 1353 B11R0.45 CCN(CC=O)CCCN(C)C 838e0dc647d0cf9efc13ac8843a93ad9 [1,1,0,0,0,0|2,0,0]=4 1354 B11R0.59 C=CCN(C)C(C)CCC(C)C 1149e453cfb53cb1ec6841baaf335f46 [1,1,0,0,0,0|2,0,0]=4 1355 B11R0.104 C=CCC(C)(C)COCC(C)C bb1d62c334ba349b9bef8908e50425da [1,1,0,0,0,0|2,0,0]=4 1356 B11R0.104 CC(C)COCC(C)(C)NC=O 88cf03f7df5da0ce25f3a53c91b3845c [1,1,0,0,0,0|2,0,0]=4 1357 B11R0.141 C=CCC(C)CNC(C)C(C)C 4360bfcf63d0cea26375722f1c778569 [1,1,0,0,0,0|2,0,0]=4 1358 B11R0.141 C=CCC(C)CNC(C)C(C)O e282eab12f818b6a3074147d0b242e0d [1,1,0,0,0,0|2,0,0]=4 1359 B11R0.141 C=CCC(C)CN[C@@H](C)C(C)C 267db4110acd1b48ea48b71153aba859 [1,1,0,0,0,0|2,0,0]=4 1360 B11R0.141 C=CCC(C)CN[C@H](C)C(C)C 885cceaad36c0093c09156060be57b46 [1,1,0,0,0,0|2,0,0]=4 1361 B11R0.141 C=CCC(C)COC(C)C(C)C d8381ed286fb39370911c354e23a489f [1,1,0,0,0,0|2,0,0]=4 1362 B11R0.141 C=CCC(C)CO[C@@H](C)C(C)C d5d45248c9e6756ce78ac83b68ff76ad [1,1,0,0,0,0|2,0,0]=4 1363 B11R0.141 C=CCC(C)CO[C@H](C)C(C)C 61b65e5cb15a5c6864593b81cf7f67c8 [1,1,0,0,0,0|2,0,0]=4 1364 B11R0.141 C=CCC(C)OCC(C)C(C)C 013a914979a7dfa63a32fd104d9a4ea4 [1,1,0,0,0,0|2,0,0]=4 1365 B11R0.141 C=CC[C@@H](C)OCC(C)C(C)C e1f515e65aabf368b3e5fd1ae1bb16bd [1,1,0,0,0,0|2,0,0]=4 1366 B11R0.141 C=CC[C@H](C)OCC(C)C(C)C d5e3d1e11d12a7f54d60feb096467ad1 [1,1,0,0,0,0|2,0,0]=4 1367 B11R0.145 C=C[C@@H](C)[C@@H](C)OCCC(C)C b41b7b76566d4df7d7c1a0e1cc69602a [1,1,0,0,0,0|2,0,0]=4 1368 B11R0.145 C=C[C@@H](C)[C@H](C)OCCC(C)C d9bcb704507b92a3c26e941004ee0f82 [1,1,0,0,0,0|2,0,0]=4 1369 B11R0.145 C=C[C@H](C)[C@@H](C)OCCC(C)C 52ffa9f5c6d5e74e919541cc004ee9a7 [1,1,0,0,0,0|2,0,0]=4 1370 B11R0.145 C=C[C@H](C)[C@H](C)OCCC(C)C 43b4b4c37ea8fa6113720a83617f86ab [1,1,0,0,0,0|2,0,0]=4 1371 B11R0.145 CC(C)OCCN(C)C(C)C=O 849c47035d8ea2bffc425351126cb09d [1,1,0,0,0,0|2,0,0]=4 1372 B11R0.145 CC(C)OCCN(C)[C@H](C)C=O 9819bf5ee2422da882009fd7d362017a [1,1,0,0,0,0|2,0,0]=4 1373 B11R0.145 CC(C=O)N(C)CCCN(C)C 6a90aae199828e0f4e290b673f3a5a86 [1,1,0,0,0,0|2,0,0]=4 1374 B11R0.145 C[C@H](C=O)N(C)CCCN(C)C 2857a127fb8e0ec367661b627abbafff [1,1,0,0,0,0|2,0,0]=4 1375 B11R0.147 C#CCNC(C)CCCC(C)C 6fc0f3cd0103eb12acf23dcd049a05ed [1,1,0,0,0,0|1,0,1]=4 1376 B11R0.147 C#CCOC(C)CCCC(C)C 2e2bd0a36abc234d7622d7e3ba2c93fb [1,1,0,0,0,0|1,0,1]=4 1377 B11R0.147 C=CCCC(C)NCCC(C)C 1089cedb21b796e68d394c6349e8a128 [1,1,0,0,0,0|2,0,0]=4 1378 B11R0.147 C=CCCC(C)NCCC(C)O d03bdf47d4dfb8fafec6179df251f225 [1,1,0,0,0,0|2,0,0]=4 1379 B11R0.147 C=CCCC(C)NCC[C@@H](C)O d5e4a6836d35f96945fb99cb73a686e3 [1,1,0,0,0,0|2,0,0]=4 1380 B11R0.147 C=CCCC(C)NCC[C@H](C)O 8732425cb158cc7adc950947c360793d [1,1,0,0,0,0|2,0,0]=4 1381 B11R0.147 C=CCCC(C)OCCC(C)C 8258c2f519c21baf7eb0d6b7193bba77 [1,1,0,0,0,0|2,0,0]=4 1382 B11R0.147 C=CCCN(C)CCCC(C)C 567d834e4893ba311e2bf80a010c5b27 [1,1,0,0,0,0|2,0,0]=4 1383 B11R0.147 C=CCCN(C)CCCC(C)O 75cbf303648895b8c193a28ec859bfd7 [1,1,0,0,0,0|2,0,0]=4 1384 B11R0.147 C=CCC[C@@H](C)OCCC(C)C ceefcc80f1679fd37a2b5c118997f47f [1,1,0,0,0,0|2,0,0]=4 1385 B11R0.147 C=CCNC(C)CCCC(C)C cad76124ee9eb3fad7d42f51cca0730a [1,1,0,0,0,0|1,0,0]=3 1386 B11R0.147 C=CCOC(C)CCCC(C)C faa099965c644e86fcfe7215186417da [1,1,0,0,0,0|1,0,0]=3 1387 B11R0.147 CC(=CCCC(C)OCC=O)C 9be4ed4910e0b53838f2712b0befe2b5 [1,1,0,0,0,0|0,0,2]=4 1388 B11R0.147 CC(=CCC[C@@H](C)OCC=O)C 0364b33b8bd8b884465be2c2503684ff [1,1,0,0,0,0|0,0,2]=4 1389 B11R0.147 CC(=CCC[C@H](C)OCC=O)C 608b88481931774943f677153fc8c124 [1,1,0,0,0,0|0,0,2]=4 1390 B11R0.147 CC(C)CCCC(C)NCC#N f5ea4a45356eb7f03a0d05d3544b6447 [1,1,0,0,0,0|1,0,1]=4 1391 B11R0.147 CC(C)CCCC(C)NCC=O 212be41fdae34268922ac03ffde11f37 [1,1,0,0,0,0|0,0,0]=2 1392 B11R0.147 CC(C)CCCC(C)NCCF 198f4b87bb5a67a84e0a7e011b213db1 [1,1,0,0,0,0|1,0,1]=4 1393 B11R0.147 CC(C)CCCC(C)NCCO a47f1dd9f961365aceecf1f5c3967b2b [1,1,0,0,0,0|0,0,2]=4 1394 B11R0.147 CC(C)CCCC(C)NCCS a8ace9bb2312f6bb6c0d688b3c39e396 [1,1,0,0,0,0|0,1,1]=4 1395 B11R0.147 CC(C)CCCC(C)OCC#N 5acc977cd7bf69659982d99ef86d8b4f [1,1,0,0,0,0|1,0,1]=4 1396 B11R0.147 CC(C)CCCC(C)OCC=O 139a31263efbef093d4dfebe20fb7a5a [1,1,0,0,0,0|0,0,0]=2 1397 B11R0.147 CC(C)CCCC(C)OCCF 44d376cc381caceff04f42843bf2d5af [1,1,0,0,0,0|1,0,1]=4 1398 B11R0.147 CC(C)CCCC(C)OCCS 6fdde699ae27f07c8e8c8bf76266a879 [1,1,0,0,0,0|0,1,1]=4 1399 B11R0.147 CC(C)OCCN(C)CCC=O aa6f3af25e3c75e70f668e72f4186a8c [1,1,0,0,0,0|2,0,0]=4 1400 B11R0.147 CCCNC(C)CCCC(C)C c3b9f8f3aaf123242312bc99ee26f3b5 [1,1,0,0,0,0|1,0,1]=4 1401 B11R0.147 CCCOC(C)CCCC(C)C 27e0039638de50cc4c3f9d16889c3880 [1,1,0,0,0,0|1,0,1]=4 1402 B11R0.147 CN(C)CCCN(C)CCC=O 2c5f3ca628156864f2c9c8106286c722 [1,1,0,0,0,0|2,0,0]=4 1403 B11R0.147 COCNC(C)CCCC(C)C f957a6bd7ea9dd8f6eec1a40bef8542d [1,1,0,0,0,0|2,0,0]=4 1404 B11R0.147 COCOC(C)CCCC(C)C 81a7f87715fdace095caa72ef7f177e7 [1,1,0,0,0,0|2,0,0]=4 1405 B11R0.147 CSCNC(C)CCCC(C)C 7547c5217db9cd15af2f8089e90072b3 [1,1,0,0,0,0|2,0,0]=4 1406 B11R0.147 CSCOC(C)CCCC(C)C 886dc41067accc58974e3af4f4c80dd2 [1,1,0,0,0,0|2,0,0]=4 1407 B11R0.174 C=CCC(C)CNCC(C)CC 7db19b8f310ccdb51f4aec0a1196c936 [1,1,0,0,0,0|2,0,0]=4 1408 B11R0.174 C=CCC(C)CNCC(C)CO ceeb4844ddfff03f2faab081591bd8ce [1,1,0,0,0,0|2,0,0]=4 1409 B11R0.174 C=CCC(C)CNCC(O)CC 74950fb068886409b8258eca9ae9c64c [1,1,0,0,0,0|2,0,0]=4 1410 B11R0.174 C=CCC(C)CNCC(O)CO f82a9994cb8a764ab1ca8ab1def47f2b [1,1,0,0,0,0|2,0,0]=4 1411 B11R0.174 C=CCC(C)CNC[C@@H](C)CC 9950239040b24f705985fe7286135ea8 [1,1,0,0,0,0|2,0,0]=4 1412 B11R0.174 C=CCC(C)CNC[C@@H](C)OC 98e5ab85fa568d1979e2161ec239db4d [1,1,0,0,0,0|2,0,0]=4 1413 B11R0.174 C=CCC(C)CNC[C@@H](O)CO 436a9217cbafff198b120b23c7eac397 [1,1,0,0,0,0|2,0,0]=4 1414 B11R0.174 C=CCC(C)CNC[C@H](C)CO 21c32a71b1f9dafb0feb06c7343c0631 [1,1,0,0,0,0|2,0,0]=4 1415 B11R0.174 C=CCC(C)CNC[C@H](C)OC 26a251fa409ef188a38e687c33cb2983 [1,1,0,0,0,0|2,0,0]=4 1416 B11R0.174 C=CCC(C)CNC[C@H](O)CC 80d446ec1f0c51cd86d2a22e674319e6 [1,1,0,0,0,0|2,0,0]=4 1417 B11R0.174 C=CCC(C)CNC[C@H](O)CO bd1c7b12092db0209bccf42081d46233 [1,1,0,0,0,0|2,0,0]=4 1418 B11R0.174 C=CCC(C)COCC(C)CC 566d9d70574ec43c7b23eb62a260c092 [1,1,0,0,0,0|2,0,0]=4 1419 B11R0.174 C=CCC(C)COCC(C)OC 47bf7f7c9244c9ff3f238ac9af6dd55e [1,1,0,0,0,0|2,0,0]=4 1420 B11R0.174 C=CCC(C)COCC(O)CO 1c6c88d4fc7c8e08d79d04ba1b6a5d16 [1,1,0,0,0,0|2,0,0]=4 1421 B11R0.174 C=CCC(C)COC[C@@H](C)CC fa61895b085cfa7dbadc25003657f0e2 [1,1,0,0,0,0|2,0,0]=4 1422 B11R0.174 C=CCC(C)COC[C@@H](C)OC b0b792cac6b5efb444614875d0995be4 [1,1,0,0,0,0|2,0,0]=4 1423 B11R0.174 C=CCC(C)COC[C@@H](O)CO 30c6e262b6a682a47d7e122cb860a655 [1,1,0,0,0,0|2,0,0]=4 1424 B11R0.174 C=CCC(C)COC[C@H](C)CC 13e66e40c66e5d16f7c1b8bbcf7fb976 [1,1,0,0,0,0|2,0,0]=4 1425 B11R0.174 C=CCC(C)COC[C@H](C)OC c15a82fea1cfa2b1c00c1cd94fa23a38 [1,1,0,0,0,0|2,0,0]=4 1426 B11R0.174 C=CCC(C)COC[C@H](O)CO 9db3dd6a702eb9912437ee1105378e91 [1,1,0,0,0,0|2,0,0]=4 1427 B11R0.174 C=CCC(C)OCCC(C)CC a3022a6b02892528975a5a91fe01a4cd [1,1,0,0,0,0|2,0,0]=4 1428 B11R0.174 C=CC[C@@H](C)OCCC(C)CC 3f23ad3cab1b51d85610b4a9f7d1ea7a [1,1,0,0,0,0|2,0,0]=4 1429 B11R0.174 C=CC[C@H](C)OCCC(C)CC e7bad42f57913047e332bdc42d8a7dc9 [1,1,0,0,0,0|2,0,0]=4 1430 B11R0.31 C=C(Br)CCOCCC(C)(C)O 2e62efa10b9c83218da966f6a8cf8653 [1,1,0,0,0,0|2,0,0]=4 1431 B11R0.31 C=C(Br)CNCCCC(C)(C)O 96baeb4773599f0d8cf4f15e7fb0d437 [1,1,0,0,0,0|2,0,0]=4 1432 B11R0.31 C=C(Br)COCCCC(C)(C)O 60d54c6715a98a7bc7592684d7b2a121 [1,1,0,0,0,0|2,0,0]=4 1433 B11R0.31 C=C(C)CCCNCC(C)(C)O 20e247d8645b1ad619352e81591d0b5c [1,1,0,0,0,0|2,0,0]=4 1434 B11R0.31 C=C(C)CCCOCC(C)(C)O c017edd029f07066536f4cbb89fbfbf2 [1,1,0,0,0,0|2,0,0]=4 1435 B11R0.31 C=C(C)CCNCCC(C)(C)O fcdf6a45d75dbcc32d92f15ecd88dde3 [1,1,0,0,0,0|2,0,0]=4 1436 B11R0.31 C=C(C)CCOCCC(C)(C)O 94f8688bcfc270f5623a234880d376c7 [1,1,0,0,0,0|2,0,0]=4 1437 B11R0.31 C=C(C)CNCCCC(C)(C)O 27c1cdf8b9a7615f1ef0278fbf8ace0c [1,1,0,0,0,0|2,0,0]=4 1438 B11R0.31 C=C(C)COCCCC(C)(C)O 404d1a4fa02dbcd53f3dad3d4ce0dc96 [1,1,0,0,0,0|2,0,0]=4 1439 B11R0.31 C=C(Cl)CNCCCC(C)(C)O f2281648a58ce61a87452b33c8a6cde5 [1,1,0,0,0,0|2,0,0]=4 1440 B11R0.31 C=C(Cl)COCCCC(C)(C)O ab8e77fb563cf020d5bf22495593b4cd [1,1,0,0,0,0|2,0,0]=4 1441 B11R0.31 C=C(F)CNCCCC(C)(C)O 84be7e9651feb0d9cf294e0a2f2fe09d [1,1,0,0,0,0|2,0,0]=4 1442 B11R0.31 C=C(F)COCCCC(C)(C)O 3448d478fd9a27a0575772aafef4b220 [1,1,0,0,0,0|2,0,0]=4 1443 B11R0.31 C=C(I)COCCCC(C)(C)O 735707f8f464c542839e581710a4a875 [1,1,0,0,0,0|2,0,0]=4 1444 B11R0.31 CC(=O)CCCCNC(C)(C)C 9161e770c757428d8b68c67106bd0369 [1,1,0,0,0,0|2,0,0]=4 1445 B11R0.31 CC(=O)CCCNCC(C)(C)C 48d209733caa3e96a78ff14893991ee9 [1,1,0,0,0,0|2,0,0]=4 1446 B11R0.31 CC(=O)CCCNCC(C)(C)O 28f14fa2770c5730d78d1cfa181c0fae [1,1,0,0,0,0|1,0,0]=3 1447 B11R0.31 CC(=O)CCCOCC(C)(C)Br b1158376f2c9b73b2fcb843b5aa19a43 [1,1,0,0,0,0|2,0,0]=4 1448 B11R0.31 CC(=O)CCCOCC(C)(C)C 03dabec929893d211c1eb0e09d08805e [1,1,0,0,0,0|2,0,0]=4 1449 B11R0.31 CC(=O)CCCOCC(C)(C)F 0df02c43d671bb1674ed56d301e65544 [1,1,0,0,0,0|2,0,0]=4 1450 B11R0.31 CC(=O)CCCOCC(C)(C)O 00e534ed604ae16b3c5fc2ab8e9fff7b [1,1,0,0,0,0|1,0,0]=3 1451 B11R0.31 CC(=O)CCCOCC(C)(C)S 79085374a0e5ac13b52e7c0ed89c360c [1,1,0,0,0,0|1,1,0]=4 1452 B11R0.31 CC(=O)CCNCCC(C)(C)C 0368618a4a7b8d3572a584bc50ee541a [1,1,0,0,0,0|2,0,0]=4 1453 B11R0.31 CC(=O)CCNCCC(C)(C)F fe45b0421147c463183eb0d28288128a [1,1,0,0,0,0|2,0,0]=4 1454 B11R0.31 CC(=O)CCNCCC(C)(C)O 5884df4627494a2d1f5b873a1dc4bda7 [1,1,0,0,0,0|1,0,0]=3 1455 B11R0.31 CC(=O)CCOCCC(C)(C)C bb7659f21cd5fbad75e82cdf798916e6 [1,1,0,0,0,0|2,0,0]=4 1456 B11R0.31 CC(=O)CCOCCC(C)(C)O 562787b9a02d9e8bf23ea58e3a6b7d7e [1,1,0,0,0,0|1,0,0]=3 1457 B11R0.31 CC(=O)CCOCCC(C)(C)S f3a4054a9e39ac0de8bc02187487e09b [1,1,0,0,0,0|1,1,0]=4 1458 B11R0.31 CC(=O)CNCCCC(C)(C)O 7eecf0360d7fcac09b5ceb1e855c5134 [1,1,0,0,0,0|1,0,0]=3 1459 B11R0.31 CC(=O)COCCCC(C)(C)O 0f367fbe7faa7e85d14b6a2f7e3e95b6 [1,1,0,0,0,0|1,0,0]=3 1460 B11R0.31 CC(=O)NCCNCC(C)(C)O 65faab09f6b67f1998d436c2ac5476ca [1,1,0,0,0,0|2,0,0]=4 1461 B11R0.31 CC(=O)NCCOCC(C)(C)O 6d1136fd1bf1ef69d03e5d7d86c3f609 [1,1,0,0,0,0|2,0,0]=4 1462 B11R0.31 CC(=O)NCOCCC(C)(C)O cd13479de2063c33f0f161264a8e64ae [1,1,0,0,0,0|2,0,0]=4 1463 B11R0.31 CC(=O)OCCNCC(C)(C)O 06358bfac4e053f5f7635faf2c8cf9d6 [1,1,0,0,0,0|2,0,0]=4 1464 B11R0.31 CC(=O)OCCOCC(C)(C)O 47357a6e9b90ae09cad179b707a7c2de [1,1,0,0,0,0|2,0,0]=4 1465 B11R0.31 CC(=O)OCNCCC(C)(C)O eb6e4b63e5c0ed1a13537d78a153213c [1,1,0,0,0,0|2,0,0]=4 1466 B11R0.31 CC(=O)SCCNCC(C)(C)O 8a768396cb38d1a5494b1e49d7b74aaa [1,1,0,0,0,0|2,0,0]=4 1467 B11R0.31 CC(C)(Br)COCCCC(=O)N 5df682767a397915618c7c4babc5b246 [1,1,0,0,0,0|2,0,0]=4 1468 B11R0.31 CC(C)(C)CCCNCC(=O)N 050111b3e305aeba18f0b5233429b5ac [1,1,0,0,0,0|2,0,0]=4 1469 B11R0.31 CC(C)(C)CCCNCC(=O)O c2d2a0fb229ba3ff656992835229ac8b [1,1,0,0,0,0|2,0,0]=4 1470 B11R0.31 CC(C)(C)CCCOCC(=O)N 6b50417a59bf0844ee4621d94c0a2296 [1,1,0,0,0,0|2,0,0]=4 1471 B11R0.31 CC(C)(C)CCCOCC(=O)O dd1d334f68d719a9b3ff560c8c6f33b1 [1,1,0,0,0,0|2,0,0]=4 1472 B11R0.31 CC(C)(C)CCNCCC(=O)N 79a97e339f4594d93ed220c0bdfef706 [1,1,0,0,0,0|2,0,0]=4 1473 B11R0.31 CC(C)(C)CCNCCC(=O)O e4299f8acbb09079917cab8b63cf8771 [1,1,0,0,0,0|2,0,0]=4 1474 B11R0.31 CC(C)(C)CCOCCC(=O)N 803ea92dc27b13f5e04c98d8be889d60 [1,1,0,0,0,0|2,0,0]=4 1475 B11R0.31 CC(C)(C)CCOCCC(=O)O 6d7c50b17b601192d0381771f866f81b [1,1,0,0,0,0|2,0,0]=4 1476 B11R0.31 CC(C)(C)CNCCCC(=O)N 1b1128e9509c5583dc3dcf5b025f7ac8 [1,1,0,0,0,0|2,0,0]=4 1477 B11R0.31 CC(C)(C)CNCCCC(=O)O e54a6b87b95f43e351fc34e76573a759 [1,1,0,0,0,0|2,0,0]=4 1478 B11R0.31 CC(C)(C)COCCCC(=O)N c4bf6c5908d2453480307b856e633609 [1,1,0,0,0,0|2,0,0]=4 1479 B11R0.31 CC(C)(C)NCCCCC(=O)N e3d56b3e2a4c345c4effeb0747f77d21 [1,1,0,0,0,0|2,0,0]=4 1480 B11R0.31 CC(C)(C)NCCCCC(=O)O 95f4777a2ecb2a3593ab9d0565a1bb63 [1,1,0,0,0,0|2,0,0]=4 1481 B11R0.31 CC(C)(F)CCNCCC(=O)N 277b1a8eb9574da5bcf6621e40369cfd [1,1,0,0,0,0|2,0,0]=4 1482 B11R0.31 CC(C)(F)CCNCCC(=O)O 686544fd0da2f37247ba315f645e98f0 [1,1,0,0,0,0|2,0,0]=4 1483 B11R0.31 CC(C)(F)CNCCCC(=O)N f19b7130e8a1d5a0abda259bde1ab5bc [1,1,0,0,0,0|2,0,0]=4 1484 B11R0.31 CC(C)(F)CNCCCC(=O)O ae0b0cf06ad629437d35d0494e16d00d [1,1,0,0,0,0|2,0,0]=4 1485 B11R0.31 CC(C)(F)COCCCC(=O)N 4f6ba01fa9eeab4edc9357e030960bf2 [1,1,0,0,0,0|2,0,0]=4 1486 B11R0.31 CC(C)(O)CCCNCC(=O)N 78728e08934c178de30e72df199fe265 [1,1,0,0,0,0|1,0,0]=3 1487 B11R0.31 CC(C)(O)CCCNCC(=O)O a8b19bb2e41bc75e52719baae09431e5 [1,1,0,0,0,0|1,0,0]=3 1488 B11R0.31 CC(C)(O)CCCNC[N+](=O)[O-] 94103cad4599efd62d3ee44eb8b5d884 [1,1,0,0,0,0|2,0,0]=4 1489 B11R0.31 CC(C)(O)CCCOCC(=O)N e9767d976602eb3a33070f0950ca35c9 [1,1,0,0,0,0|1,0,0]=3 1490 B11R0.31 CC(C)(O)CCCOCC(=O)O 51765f5327cc18c637d2ce67551a709b [1,1,0,0,0,0|1,0,0]=3 1491 B11R0.31 CC(C)(O)CCCOCC(=S)N dfa63f31b1c104aa17080d05674f7dae [1,1,0,0,0,0|1,1,0]=4 1492 B11R0.31 CC(C)(O)CCCOCS(=O)O 3552032221011069edd0bd6121943e62 [1,1,0,0,0,0|2,0,0]=4 1493 B11R0.31 CC(C)(O)CCNCCC(=O)N bafabeec0f68baf84a8d12e6bc7f320b [1,1,0,0,0,0|1,0,0]=3 1494 B11R0.31 CC(C)(O)CCNCCC(=O)O c9ab6819a71e8a25320dbe90302fa532 [1,1,0,0,0,0|1,0,0]=3 1495 B11R0.31 CC(C)(O)CCNCCC(=S)N 3849b54bd9592901306a2408aa0f7157 [1,1,0,0,0,0|1,1,0]=4 1496 B11R0.31 CC(C)(O)CCNCCS(=O)O f94db5d24fb8a45b4a00d8ddf1b04abe [1,1,0,0,0,0|2,0,0]=4 1497 B11R0.31 CC(C)(O)CCNCSC(=O)N 9124a0ffede537a2721938a9feb536c0 [1,1,0,0,0,0|2,0,0]=4 1498 B11R0.31 CC(C)(O)CCOCCC(=O)N 7d11029df064debd9666b23df1693dd8 [1,1,0,0,0,0|1,0,0]=3 1499 B11R0.31 CC(C)(O)CCOCCC(=O)O be69ff4565311d31a03ff06e413ce91f [1,1,0,0,0,0|1,0,0]=3 1500 B11R0.31 CC(C)(O)CCOCC[N+](=O)[O-] 6b6f2dd31c68729f5f652896fd9680da [1,1,0,0,0,0|2,0,0]=4 1501 B11R0.31 CC(C)(O)CCOCNC(=O)N 2d3e7092d542073215224877f5f30850 [1,1,0,0,0,0|2,0,0]=4 1502 B11R0.31 CC(C)(O)CNCCCC(=O)N cec8a43b26dc292dbc39d9134229b203 [1,1,0,0,0,0|1,0,0]=3 1503 B11R0.31 CC(C)(O)CNCCCC(=O)O 6d360aeb38e1a73298ce81e24a18d8ce [1,1,0,0,0,0|1,0,0]=3 1504 B11R0.31 CC(C)(O)CNCCC[N+](=O)[O-] f43a921c6a8b117e1fb69084f9d4cacf [1,1,0,0,0,0|2,0,0]=4 1505 B11R0.31 CC(C)(O)CNCCNC(=O)N 47ad86701036603108bf4671e1898b23 [1,1,0,0,0,0|2,0,0]=4 1506 B11R0.31 CC(C)(O)COCCCC(=O)N bf35fe650fe54b59ee3b689e3464b8aa [1,1,0,0,0,0|1,0,0]=3 1507 B11R0.31 CC(C)(O)COCCC[N+](=O)[O-] a0b23fae2c7cc9e2ae16c856b4b7cc5c [1,1,0,0,0,0|2,0,0]=4 1508 B11R0.31 CC(C)(O)COCCNC(=O)N 9171ec08e28fc044ba60eb9c9c100dae [1,1,0,0,0,0|2,0,0]=4 1509 B11R0.31 CC(C)(S)CCOCCC(=O)N 1dec4ca045765925b365b00d254cc48c [1,1,0,0,0,0|1,1,0]=4 1510 B11R0.31 CC(C)(S)CCOCCC(=O)O 4d3e33e098313efc603bdca9bc3db03f [1,1,0,0,0,0|1,1,0]=4 1511 B11R0.31 CC(C)(S)COCCCC(=O)N 9555ed9301eed33ed064bd413e9e2b98 [1,1,0,0,0,0|1,1,0]=4 1512 B11R0.31 CS(=O)CCCNCC(C)(C)O 80a760b2b5a57b7f3096d9261d72687c [1,1,0,0,0,0|2,0,0]=4 1513 B11R0.31 CS(=O)CCNCCC(C)(C)O 3eac51ec1c69b379cf0cc6072e1846e9 [1,1,0,0,0,0|2,0,0]=4 1514 B11R0.31 CS(=O)CCOCCC(C)(C)O 18b0d6ec71a4b374cb80d6be702f880f [1,1,0,0,0,0|2,0,0]=4 1515 B11R0.49 C#CC(C)(C)COCCCC=O 5a325d81efc2e9b40255e8cd75c87353 [1,1,0,0,0,0|2,0,0]=4 1516 B11R0.49 C#CC(C)(C)NCCCCC=O 766bcc8f4ca6104d62127baa724afa95 [1,1,0,0,0,0|2,0,0]=4 1517 B11R0.49 C=CC(C)(C)CCCNCC=O 5dd55ad6870429f84e44110688ebc634 [1,1,0,0,0,0|2,0,0]=4 1518 B11R0.49 C=CC(C)(C)COCCCC=O a3666302b78870c998a4949149af6514 [1,1,0,0,0,0|2,0,0]=4 1519 B11R0.49 C=CCCCCNC(C)(C)CO 71ef966e57017c40c87e817104c3f688 [1,1,0,0,0,0|2,0,0]=4 1520 B11R0.49 C=CCCCNCC(C)(C)CO 26dd6687dd27d67ea9f31e27d4af8f4d [1,1,0,0,0,0|2,0,0]=4 1521 B11R0.49 C=CCCCNCC(C)(C)OC e2608c6356e1ba0bc20cf0b699a5b25a [1,1,0,0,0,0|2,0,0]=4 1522 B11R0.49 C=CCCCNCC(C)(O)CC 9f67d7d527f52a8baa0bd60195eefea4 [1,1,0,0,0,0|2,0,0]=4 1523 B11R0.49 C=CCCCOCC(C)(C)OC 285944112b396f973fa9d23543071637 [1,1,0,0,0,0|2,0,0]=4 1524 B11R0.49 C=CCCNCCC(C)(C)OC b93b8a42ca58e76d45e757433a77cae0 [1,1,0,0,0,0|2,0,0]=4 1525 B11R0.49 C=CCCOCCC(C)(C)OC ef428a4e8b117587c73d7502f57a6c03 [1,1,0,0,0,0|2,0,0]=4 1526 B11R0.49 C=CCNCCCC(C)(C)CO 226c89d47b0883057c4befb7ed9c9362 [1,1,0,0,0,0|2,0,0]=4 1527 B11R0.49 CC(C)(C#N)CCOCCC=O d090dc1141213ff827cc46a08c25955d [1,1,0,0,0,0|2,0,0]=4 1528 B11R0.49 CC(C)(C#N)CNCCCC=O 29b5f7c4d1e354b841a369717b4f013e [1,1,0,0,0,0|2,0,0]=4 1529 B11R0.49 CC(C)(C#N)COCCCC=O df64c50f56d3e8d3aa6633066d32d436 [1,1,0,0,0,0|2,0,0]=4 1530 B11R0.49 CC(C)(C#N)NCCCCC=O 51140a6d668ef96eac1943e49af4c3e4 [1,1,0,0,0,0|2,0,0]=4 1531 B11R0.49 CC(C)(C=O)COCCCC=O 21e0195d68cb0e7e8629405d92fe6cdb [1,1,0,0,0,0|1,0,1]=4 1532 B11R0.49 CC(C)(CF)CNCCCC=O 4d0ae2a05a6f098ae1ef530e7618cdd0 [1,1,0,0,0,0|2,0,0]=4 1533 B11R0.49 CC(C)(CF)COCCCC=O cea09edcbd5a12facc0afa8b735c3497 [1,1,0,0,0,0|2,0,0]=4 1534 B11R0.49 CC(C)(CF)NCCCCC=O dc8da13cbb8f65fbacf40e837ae0658b [1,1,0,0,0,0|2,0,0]=4 1535 B11R0.49 CC(C)(CO)CCCNCC=O 5d5bbad715a1d71b3e9c952834650c75 [1,1,0,0,0,0|1,0,0]=3 1536 B11R0.49 CC(C)(CO)CNCCCC=O 5147acf4548dd7aa309418ccca8485fb [1,1,0,0,0,0|1,0,0]=3 1537 B11R0.49 CC(C)(CO)NCCCCC=O c7cb2c7af0de5653d122e0ed91085b62 [1,1,0,0,0,0|1,0,0]=3 1538 B11R0.49 CC(C)(CO)NCCOCC=O c27f36c3701fda5d1f89c30610521277 [1,1,0,0,0,0|2,0,0]=4 1539 B11R0.49 CCC(C)(C)CCOCCC=O 484b49cecafab052eecdeb6a3f6065ce [1,1,0,0,0,0|2,0,0]=4 1540 B11R0.49 CCC(C)(C)CNCCCC=O 30c15203fe1de945a17a88ffcad66762 [1,1,0,0,0,0|2,0,0]=4 1541 B11R0.49 CCC(C)(C)NCCCCC=O b2e376ad402b1153bd42213a18a7328d [1,1,0,0,0,0|2,0,0]=4 1542 B11R0.49 CCC(C)(O)CNCCCC=O 2dad279c4d561957d043cc92d312732a [1,1,0,0,0,0|1,0,0]=3 1543 B11R0.49 COC(C)(C)CCNCCC=O e7766ce063ebe8c59abba548054a98bd [1,1,0,0,0,0|1,0,0]=3 1544 B11R0.49 COC(C)(C)CCOCCC=O 138819f061fde3deb5c041ee88b903a5 [1,1,0,0,0,0|1,0,0]=3 1545 B11R0.49 COC(C)(C)CNCCCC=O e8e69f260acff2822322a58c759ec63a [1,1,0,0,0,0|1,0,0]=3 1546 B11R0.49 COC(C)(C)COCCCC=O 8464a9519619536c1ebe22d0ca22a6a9 [1,1,0,0,0,0|1,0,0]=3 1547 B11R0.49 COC(C)(C)COCCNC=O 30b7de0207235695dd2e6593720d8b8c [1,1,0,0,0,0|2,0,0]=4 1548 B11R0.49 COC(C)(C)COCCOC=O a9291fbad5141a5694482f3013f63e31 [1,1,0,0,0,0|2,0,0]=4 1549 B11R0.82 C=CCCC(C)NCC(C)(C)O 44918f4274ea000c2138b4daee2ada26 [1,1,0,0,0,0|2,0,0]=4 1550 B11R0.82 C=CCCC(C)OCC(C)(C)O 2eef02d74b14850a4bf5a6310fc944e3 [1,1,0,0,0,0|2,0,0]=4 1551 B11R0.82 C=CCCN(C)CCC(C)(C)O c928a9b22db1c0c21eb2f9c6448a7817 [1,1,0,0,0,0|2,0,0]=4 1552 B11R0.82 C=CCC[C@@H](C)OCC(C)(C)O 4f6c2aca8bfee96f197039fea7bd4b5d [1,1,0,0,0,0|2,0,0]=4 1553 B11R0.82 CC(C)(O)CNC(=O)CCC=O d24e884295e8f0fdc0c4d1828ebd6651 [1,1,0,0,0,0|1,0,1]=4 1554 B11R0.82 CC(CCC(C)(C)C)NCC=O be8f54427ff0060513e8d362e44fc271 [1,1,0,0,0,0|2,0,0]=4 1555 B11R0.82 CN(CCC=O)CCC(C)(C)C 3ce4b5297b9176d015b9fec958ab960c [1,1,0,0,0,0|2,0,0]=4 1556 B11R0.82 CN(CCC=O)CCC(C)(C)O 23e08f6de864583e3b135953a8cfad10 [1,1,0,0,0,0|1,0,0]=3 1557 B11R0.114 C=C(C=O)OCCCC(C)(C)O 1393a97f46c88d12d7f0660ec4759229 [1,1,0,0,0,0|1,0,1]=4 1558 B11R0.114 C=CC(C)COCCC(C)(C)O 4278ef445fc3333d34a84db81adcfd25 [1,1,0,0,0,0|2,0,0]=4 1559 B11R0.114 C=CC(C)NCCCC(C)(C)O d14f9f06534d5edcad72d2d35cda2362 [1,1,0,0,0,0|2,0,0]=4 1560 B11R0.114 C=CC(C)OCCCC(C)(C)O 1c848b19d9049467f4ed19353b73734c [1,1,0,0,0,0|2,0,0]=4 1561 B11R0.114 C=CC(O)CNCCC(C)(C)O 25b28bfae2736c9ccb6f13e0268792e0 [1,1,0,0,0,0|2,0,0]=4 1562 B11R0.114 C=C[C@H](C)OCCCC(C)(C)O 7c47f87b798c6cef4c3e89f115c3da45 [1,1,0,0,0,0|2,0,0]=4 1563 B11R0.114 CC(C)(O)CCCNC(=O)C=O 49e8ac5896c641cf275b35b3b1dc6b4c [1,1,0,0,0,0|1,0,1]=4 1564 B11R0.114 CC(C=O)NCCCC(C)(C)C 7410638a38b3a5ad23825e388646fe1c [1,1,0,0,0,0|2,0,0]=4 1565 B11R0.114 CC(C=O)NCCCC(C)(C)O be2859841a076443e1bf4cce33811384 [1,1,0,0,0,0|1,0,0]=3 1566 B11R0.114 CC(C=O)OCCCC(C)(C)C b86e196a9669eeb07fe90427ac1f254c [1,1,0,0,0,0|2,0,0]=4 1567 B11R0.114 CC(C=O)OCCCC(C)(C)O d95d53461bfc00ab84bb40bf28311ab5 [1,1,0,0,0,0|1,0,0]=3 1568 B11R0.114 CN(C=O)CCOCC(C)(C)O 08de9f997ba9eff4f6720864535d79a9 [1,1,0,0,0,0|2,0,0]=4 1569 B11R0.114 C[C@H](C=O)NCCCC(C)(C)C 755afba12621d2b2124d410c180e72dc [1,1,0,0,0,0|2,0,0]=4 1570 B11R0.114 C[C@H](C=O)NCCCC(C)(C)O 45c07fa5ab8375e75eccbffc23398b28 [1,1,0,0,0,0|1,0,0]=3 1571 B11R0.114 C[C@H](C=O)OCCCC(C)(C)C 90821c53273594d474f8da8470a4ea45 [1,1,0,0,0,0|2,0,0]=4 1572 B11R0.151 C=CCCCNC(C)C(C)(C)O 30416793e4ebef59a07e9ff36bc2b7e3 [1,1,0,0,0,0|2,0,0]=4 1573 B11R0.151 C=CCCCN[C@@H](C)C(C)(C)O b9c1ff842cfd6415e3d3b00874c8c811 [1,1,0,0,0,0|2,0,0]=4 1574 B11R0.151 C=CCCCN[C@H](C)C(C)(C)O 1d3fd1564febb7e35ed153221b3649d9 [1,1,0,0,0,0|2,0,0]=4 1575 B11R0.151 C=CCCCOC(C)C(C)(C)O eae75836065b103096e1ced37c66ee71 [1,1,0,0,0,0|2,0,0]=4 1576 B11R0.151 C=CCCNCC(O)C(C)(C)O 5df80e90ec822487f322153a138f3c61 [1,1,0,0,0,0|2,0,0]=4 1577 B11R0.151 C=CCCNC[C@@H](F)C(C)(C)O 764775faeb6b2ff89fa77ffa944246f9 [1,1,0,0,0,0|2,0,0]=4 1578 B11R0.151 C=CCCNC[C@H](F)C(C)(C)O cb5d5cfbd06681029e83a4a3b5bf04ba [1,1,0,0,0,0|2,0,0]=4 1579 B11R0.151 CC(C)(C)C(O)CNCCC=O 837955ed2278a16119db23132b148f7c [1,1,0,0,0,0|2,0,0]=4 1580 B11R0.151 CC(C)(O)C(=O)COCCC=O 3af549dcd761199429bf2f2a49b7ae03 [1,1,0,0,0,0|1,0,1]=4 1581 B11R0.151 CC(C)(O)C(O)CNCCC=O ac56b4ac08efa07ce8845d40ab2ededc [1,1,0,0,0,0|1,0,0]=3 1582 B11R0.151 CC(C)(O)[C@@H](F)CNCCC=O 44a0401ca7cbac9bac584f33d3c1303e [1,1,0,0,0,0|1,0,0]=3 1583 B11R0.151 CC(C)(O)[C@H](F)CNCCC=O cb507806eb4dff911c4f10a4fa02659d [1,1,0,0,0,0|1,0,0]=3 1584 B11R0.151 CC(COCCC=O)C(C)(C)C a7a16d4841d44a026cc6c1d4f80c2ee0 [1,1,0,0,0,0|2,0,0]=4 1585 B11R0.151 CC(NCCCC=O)C(C)(C)C a7f042de7fe95c889f01cc306b435e46 [1,1,0,0,0,0|2,0,0]=4 1586 B11R0.151 CC(NCCCC=O)C(C)(C)O 876645eeed7aaa2e13f6183ed5e6b509 [1,1,0,0,0,0|1,0,0]=3 1587 B11R0.151 CC(OCCCC=O)C(C)(C)O 7d4d89414b5e3a9dd05fb42085a9f471 [1,1,0,0,0,0|1,0,0]=3 1588 B11R0.151 CC(OCCNC=O)C(C)(C)O 46901bc4102348cf93fab38e72f5378c [1,1,0,0,0,0|2,0,0]=4 1589 B11R0.151 CC(OCCOC=O)C(C)(C)O be0a7de5432723a04d746ce6f7dc3207 [1,1,0,0,0,0|2,0,0]=4 1590 B11R0.151 CN(CCCCC=O)C(C)(C)C bf668b931496fdf03bfd63fe84965ad7 [1,1,0,0,0,0|2,0,0]=4 1591 B11R0.151 C[C@@H](NCCCC=O)C(C)(C)C b4cab889aa91e53ba1b756d85bc318bb [1,1,0,0,0,0|2,0,0]=4 1592 B11R0.151 C[C@@H](NCCCC=O)C(C)(C)O ada698eaa5679e20730638fa40bf0cc1 [1,1,0,0,0,0|1,0,0]=3 1593 B11R0.151 C[C@H](NCCCC=O)C(C)(C)C 494553435d9d6cbd9eb0f3d12ccbb878 [1,1,0,0,0,0|2,0,0]=4 1594 B11R0.151 C[C@H](NCCCC=O)C(C)(C)O ec2259ae558807b2c8290e4c21b6ad1f [1,1,0,0,0,0|1,0,0]=3 1595 B11R0.159 C#CCCCCNCC(C)(C)O 82b4f40f3929f84e2db4015773ab38ce [1,1,0,0,0,0|1,0,1]=4 1596 B11R0.159 C#CCCCCOCC(C)(C)O 0d2304c13e1618a4d68712e6ac7da4f3 [1,1,0,0,0,0|1,0,1]=4 1597 B11R0.159 C#CCCCNCCC(C)(C)O ae08e37d1b0a954147ae262e4e9c3579 [1,1,0,0,0,0|1,0,1]=4 1598 B11R0.159 C#CCCCOCCC(C)(C)O 1e10de4525a6dff4e5b1cb008c898897 [1,1,0,0,0,0|1,0,1]=4 1599 B11R0.159 C#CCCNCCCC(C)(C)O 53e7f3b2086735f8b2ad4a2f00333526 [1,1,0,0,0,0|1,0,1]=4 1600 B11R0.159 C#CCCOCCCC(C)(C)O 56638f8e6119d9d3ff855d7e8f52709b [1,1,0,0,0,0|1,0,1]=4 1601 B11R0.159 C/C=C/CCCOCC(C)(C)O b140bc912204d2941ea19af4058f9276 [1,1,0,0,0,0|1,0,1]=4 1602 B11R0.159 C/C=C/CCOCCC(C)(C)O e2519d77da73c1d41eca75351f2db209 [1,1,0,0,0,0|1,0,1]=4 1603 B11R0.159 C/C=C/CNCCCC(C)(C)O fc1fa14df26bce075015b5fa63884e56 [1,1,0,0,0,0|1,0,1]=4 1604 B11R0.159 C/C=C/COCCCC(C)(C)O b5c15ca0bcf060342e6b58b87ea8bf06 [1,1,0,0,0,0|1,0,1]=4 1605 B11R0.159 C/C=C\CCCNCC(C)(C)O c5813cb43e82c3f712acf471822d5027 [1,1,0,0,0,0|1,0,1]=4 1606 B11R0.159 C/C=C\CCCOCC(C)(C)O 31be6e7a933493bae21662ec85c77f37 [1,1,0,0,0,0|1,0,1]=4 1607 B11R0.159 C/C=C\CNCCCC(C)(C)O 128f81da70cb6e70b809abc6dd81077d [1,1,0,0,0,0|1,0,1]=4 1608 B11R0.159 C/C=C\COCCCC(C)(C)O 0aee793958df19afb6ec453c1bcbdb54 [1,1,0,0,0,0|1,0,1]=4 1609 B11R0.159 C=C=CCCOCCC(C)(C)O f294e582fec1fa4c2d50d43af48c20fa [1,1,0,0,0,0|2,0,0]=4 1610 B11R0.159 C=CCCCCCNC(C)(C)C 267e969b790ed239d029f5867cdadc22 [1,1,0,0,0,0|2,0,0]=4 1611 B11R0.159 C=CCCCCNCC(C)(C)C cda07794988996d54fcdc102a6acc621 [1,1,0,0,0,0|2,0,0]=4 1612 B11R0.159 C=CCCCCNCC(C)(C)F c8a7b647b5124779e858018a4af5cfcf [1,1,0,0,0,0|2,0,0]=4 1613 B11R0.159 C=CCCCCNCC(C)(C)O 5a85049aac0956eacfd8d0534fe72d71 [1,1,0,0,0,0|1,0,0]=3 1614 B11R0.159 C=CCCCCOCC(C)(C)Br 92f15aaffaf400119a78a698652a43a3 [1,1,0,0,0,0|2,0,0]=4 1615 B11R0.159 C=CCCCCOCC(C)(C)C 1ba2d7877d79097280530910dec2d048 [1,1,0,0,0,0|2,0,0]=4 1616 B11R0.159 C=CCCCCOCC(C)(C)F 7049e65b7f45c56f38ef4302f9747578 [1,1,0,0,0,0|2,0,0]=4 1617 B11R0.159 C=CCCCCOCC(C)(C)O 3457618042e467be775f5e098ac06ab7 [1,1,0,0,0,0|1,0,0]=3 1618 B11R0.159 C=CCCCCOCC(C)(C)S d188d7c449c9ded778a42fb4405573d7 [1,1,0,0,0,0|1,1,0]=4 1619 B11R0.159 C=CCCCNCCC(C)(C)C 15b1859b2b9db0614272fb3abfe100d5 [1,1,0,0,0,0|2,0,0]=4 1620 B11R0.159 C=CCCCNCCC(C)(C)F c5318059e7d268906d06b99fced75db4 [1,1,0,0,0,0|2,0,0]=4 1621 B11R0.159 C=CCCCNCCC(C)(C)O d0919c439ac9b1c89cfb8502578bdf60 [1,1,0,0,0,0|1,0,0]=3 1622 B11R0.159 C=CCCCOCCC(C)(C)C 024e9fa286888beda7e40aef6bde9cb6 [1,1,0,0,0,0|2,0,0]=4 1623 B11R0.159 C=CCCCOCCC(C)(C)O 3d82cd9cfcf7630210423ed5186dd27c [1,1,0,0,0,0|1,0,0]=3 1624 B11R0.159 C=CCCCOCCC(C)(C)S 9cadd98ec48e7b6bf9166e3b3d644549 [1,1,0,0,0,0|1,1,0]=4 1625 B11R0.159 C=CCCNCCCC(C)(C)C 11b0a9c1cebe8e3beef5893a491196ad [1,1,0,0,0,0|2,0,0]=4 1626 B11R0.159 C=CCCNCCCC(C)(C)O 971661f77b29be58c4599975a63a665c [1,1,0,0,0,0|1,0,0]=3 1627 B11R0.159 C=CCCOCCCC(C)(C)C f6f970606ed9d45c2a4fc44876d8cd63 [1,1,0,0,0,0|2,0,0]=4 1628 B11R0.159 C=CCCOCCCC(C)(C)O 71edd7282bbd536d67b76c3eae52841d [1,1,0,0,0,0|1,0,0]=3 1629 B11R0.159 C=CCOCCCCC(C)(C)C 87bc32423ad27b743efa4764e998b16f [1,1,0,0,0,0|2,0,0]=4 1630 B11R0.159 C=CCOCCNCC(C)(C)O 085a2d18ebd537d9eb394cdc69f8fd9b [1,1,0,0,0,0|2,0,0]=4 1631 B11R0.159 C=CCOCCOCC(C)(C)O c8ca5e2ed0be1ec902d561a45fad86c9 [1,1,0,0,0,0|2,0,0]=4 1632 B11R0.159 C=COCCCNCC(C)(C)O ac215bf1376f5c1bb126c1d8020849a8 [1,1,0,0,0,0|2,0,0]=4 1633 B11R0.159 C=COCCNCCC(C)(C)O 886e47d223a7db2d55fcc10a4adf8b93 [1,1,0,0,0,0|2,0,0]=4 1634 B11R0.159 C=COCCOCCC(C)(C)O 9a9306146b613e7b127ef352240fd07d [1,1,0,0,0,0|2,0,0]=4 1635 B11R0.159 CC(C)(Br)COCCCCC=O 311e85b5b595ea4f61581807dba8510d [1,1,0,0,0,0|1,0,0]=3 1636 B11R0.159 CC(C)(Br)COCCOCC=O 51cf687cdc833ff6415f175788d524b6 [1,1,0,0,0,0|2,0,0]=4 1637 B11R0.159 CC(C)(C)CCCCOCC=O 7867342ae2a27efbef3870075dca2191 [1,1,0,0,0,0|1,0,0]=3 1638 B11R0.159 CC(C)(C)CCCNCCC=O 15a1bdf1ec531a3a81a8bf4377f87345 [1,1,0,0,0,0|1,0,0]=3 1639 B11R0.159 CC(C)(C)CCCOCCC=O 731f89ea02d0bbe967615ba73d051671 [1,1,0,0,0,0|1,0,0]=3 1640 B11R0.159 CC(C)(C)CCNCCCC=O 7c6ab5bb2c496c6f960b324379316b64 [1,1,0,0,0,0|1,0,0]=3 1641 B11R0.159 CC(C)(C)CCOCCCC=O be265d527cc10c88706d16114f2a7668 [1,1,0,0,0,0|1,0,0]=3 1642 B11R0.159 CC(C)(C)CCOCCNC=O 6724e8f77ca90f492aa84c80f2fb470e [1,1,0,0,0,0|2,0,0]=4 1643 B11R0.159 CC(C)(C)CCOCCOC=O c043b2c7cd02b4534fb0ae912849f0f2 [1,1,0,0,0,0|2,0,0]=4 1644 B11R0.159 CC(C)(C)CNCCCCC=O d56efd57c222df348cfe80ccca61531f [1,1,0,0,0,0|1,0,0]=3 1645 B11R0.159 CC(C)(C)CNCCOCC=O 5b2f4f1d0020e19aeedd93d50b0e91c8 [1,1,0,0,0,0|2,0,0]=4 1646 B11R0.159 CC(C)(C)COCCCCC=O d46f8e47e9e3d01423fdd5f952b8283b [1,1,0,0,0,0|1,0,0]=3 1647 B11R0.159 CC(C)(C)COCCOCC=O 25e3acc58a873e314c0ac74566e96f38 [1,1,0,0,0,0|2,0,0]=4 1648 B11R0.159 CC(C)(C)NCCCCCC=O 995d1e71a334e1a68022bbb75ba67331 [1,1,0,0,0,0|1,0,0]=3 1649 B11R0.159 CC(C)(C)OCCCNCC=O 17da22e5efc622d70654583c80365bfa [1,1,0,0,0,0|2,0,0]=4 1650 B11R0.159 CC(C)(C)OCCNCCC=O 5709e8840d9fead415da6d6951e034f2 [1,1,0,0,0,0|2,0,0]=4 1651 B11R0.159 CC(C)(C)OCCOCCC=O ba0e97f3434ec587d2d4cb688a29ec51 [1,1,0,0,0,0|2,0,0]=4 1652 B11R0.159 CC(C)(C)SCCNCCC=O 2674b42b7c37b1230859dac386c8721f [1,1,0,0,0,0|2,0,0]=4 1653 B11R0.159 CC(C)(C)SCCOCCC=O 90484c1f3c3d5d06a6e4a04b04905891 [1,1,0,0,0,0|2,0,0]=4 1654 B11R0.159 CC(C)(F)CCNCCCC=O 6470b2c72f50c7be7134139291f7505f [1,1,0,0,0,0|1,0,0]=3 1655 B11R0.159 CC(C)(F)COCCCCC=O 22af8c957cc0a16ed602714fd09b9073 [1,1,0,0,0,0|1,0,0]=3 1656 B11R0.159 CC(C)(F)COCCOCC=O bd6c42593a7990e125233d19b539ab09 [1,1,0,0,0,0|2,0,0]=4 1657 B11R0.159 CC(C)(O)CCCCCNC#N aba80dfc79d10dad762035458641f362 [1,1,0,0,0,0|1,0,1]=4 1658 B11R0.159 CC(C)(O)CCCNC/C=C/Cl 1163ecea853226b0079f35b621914822 [1,1,0,0,0,0|1,0,1]=4 1659 B11R0.159 CC(C)(O)CCCNC/C=C\Cl b748f74b850636489ba132669d75bab6 [1,1,0,0,0,0|1,0,1]=4 1660 B11R0.159 CC(C)(O)CCCNC/C=C\O 4eb5738fd46c23d31a28dbf28074db81 [1,1,0,0,0,0|0,0,2]=4 1661 B11R0.159 CC(C)(O)CCCNCCC#N d29ca409a4d8292bf89c7d51518c0f7e [1,1,0,0,0,0|1,0,1]=4 1662 B11R0.159 CC(C)(O)CCCNCCC=O 99f2d8ea8e9831866c040c461468b349 [1,1,0,0,0,0|0,0,0]=2 1663 B11R0.159 CC(C)(O)CCCNCCCCl 2b62b7ea23a9c37c9914e0749b1084f2 [1,1,0,0,0,0|1,0,1]=4 1664 B11R0.159 CC(C)(O)CCCNCCCF c2632b15d2a408195b948bccc4622774 [1,1,0,0,0,0|1,0,1]=4 1665 B11R0.159 CC(C)(O)CCCNCCCO 1a8a4d88e633865ef99dcba74335afc3 [1,1,0,0,0,0|0,0,2]=4 1666 B11R0.159 CC(C)(O)CCCNCCCS 0af541bb3f9b14d6d1676dfd266a8034 [1,1,0,0,0,0|0,1,1]=4 1667 B11R0.159 CC(C)(O)CCCNCCON d28b48968590a6fd41c5d880d556fc05 [1,1,0,0,0,0|2,0,0]=4 1668 B11R0.159 CC(C)(O)CCCOC/C=C/Cl 44e444ed84cf21ff8332387c23a1be8f [1,1,0,0,0,0|1,0,1]=4 1669 B11R0.159 CC(C)(O)CCCOCC=CCl e04cf934f0c4dd63fa768135ddd14f02 [1,1,0,0,0,0|1,0,1]=4 1670 B11R0.159 CC(C)(O)CCCOCCC#N 8c3d6a3bedb9c031251c86d7aaac8227 [1,1,0,0,0,0|1,0,1]=4 1671 B11R0.159 CC(C)(O)CCCOCCC=O 7bfd8aa791f4487d01a0359785140560 [1,1,0,0,0,0|0,0,0]=2 1672 B11R0.159 CC(C)(O)CCCOCCCF 644084046a5ae874f901d4464a806d00 [1,1,0,0,0,0|1,0,1]=4 1673 B11R0.159 CC(C)(O)CCCOCCCS 5efa20d1310963ea79990f3a289f727c [1,1,0,0,0,0|0,1,1]=4 1674 B11R0.159 CC(C)(O)CCNCCCC#N 844ef4a2f984803477ba4793c64d4da0 [1,1,0,0,0,0|1,0,1]=4 1675 B11R0.159 CC(C)(O)CCNCCCC=O 3083b7aaa1e52e61fafa7eacfa720481 [1,1,0,0,0,0|0,0,0]=2 1676 B11R0.159 CC(C)(O)CCNCCCCCl 070921cd066211416d2f279f67017b63 [1,1,0,0,0,0|1,0,1]=4 1677 B11R0.159 CC(C)(O)CCNCCCCF f29fbd90b70afa9c743800427d905b7f [1,1,0,0,0,0|1,0,1]=4 1678 B11R0.159 CC(C)(O)CCNCCCCO 91554e96873ab995b38cde31f6107a51 [1,1,0,0,0,0|0,0,2]=4 1679 B11R0.159 CC(C)(O)CCNCCCCS c889930fc61c22d74073bf1150d49cc0 [1,1,0,0,0,0|0,1,1]=4 1680 B11R0.159 CC(C)(O)CCOC/C=C/C=O 170554e8d1f438ebece020f06949d555 [1,1,0,0,0,0|0,0,2]=4 1681 B11R0.159 CC(C)(O)CCOCCCC#N e51c62c5e4ebeffebc3d5037db0c8311 [1,1,0,0,0,0|1,0,1]=4 1682 B11R0.159 CC(C)(O)CCOCCCC=O 6d3aea38d0645e8153150af21be56264 [1,1,0,0,0,0|0,0,0]=2 1683 B11R0.159 CC(C)(O)CCOCCCCF 834b7178f0a246fd088cecef95a2c26c [1,1,0,0,0,0|1,0,1]=4 1684 B11R0.159 CC(C)(O)CCOCCCCS 53442672805919897536db68f1105f54 [1,1,0,0,0,0|0,1,1]=4 1685 B11R0.159 CC(C)(O)CCOCCNC=O 31f96ebd2a925a1f37eb33e9f9b85435 [1,1,0,0,0,0|1,0,0]=3 1686 B11R0.159 CC(C)(O)CCOCCOC=O 142e3186a93e3c6c7c5a786a87e15bcd [1,1,0,0,0,0|1,0,0]=3 1687 B11R0.159 CC(C)(O)CNCCCCC#N ac1416329dcbf6599218945acabfaca3 [1,1,0,0,0,0|1,0,1]=4 1688 B11R0.159 CC(C)(O)CNCCCCC=O c66b30d0d66c0fffbaf5c402e834490f [1,1,0,0,0,0|0,0,0]=2 1689 B11R0.159 CC(C)(O)CNCCCCCCl f877f7bc2a3ed4c85069f0261093055b [1,1,0,0,0,0|1,0,1]=4 1690 B11R0.159 CC(C)(O)CNCCCCCF 620cf0c8fbbd6d7b6da479d14dd1dbbe [1,1,0,0,0,0|1,0,1]=4 1691 B11R0.159 CC(C)(O)CNCCCCCO 4d96274ec10bc0d3617d2f9dfa62437f [1,1,0,0,0,0|0,0,2]=4 1692 B11R0.159 CC(C)(O)CNCCCCON 5e0f9f4b5246d0db4452634dbbe37500 [1,1,0,0,0,0|2,0,0]=4 1693 B11R0.159 CC(C)(O)CNCCOCC=O 3569ee5af62dfdbcbeaf3585bdd8040d [1,1,0,0,0,0|1,0,0]=3 1694 B11R0.159 CC(C)(O)COCCCCC#N 827f66314394821aee1d6c2193076523 [1,1,0,0,0,0|1,0,1]=4 1695 B11R0.159 CC(C)(O)COCCCCC=O 1555502aed1cac13520707e74c486492 [1,1,0,0,0,0|0,0,0]=2 1696 B11R0.159 CC(C)(O)COCCOCC=O 45d0458ef2b8d302bac98178cb37a565 [1,1,0,0,0,0|1,0,0]=3 1697 B11R0.159 CC(C)(S)CCOCCCC=O 8e3bda63c0204f4eaaa609d5c93eb411 [1,1,0,0,0,0|0,1,0]=3 1698 B11R0.159 CC(C)(S)COCCCCC=O f3b00c0fcadbf9d97ec0759a9a9b0106 [1,1,0,0,0,0|0,1,0]=3 1699 B11R0.159 CC(C)(S)COCCOCC=O a6f4bd8b481c6d99c782ea919bd992dc [1,1,0,0,0,0|1,1,0]=4 1700 B11R0.159 CC(F)(F)CCCOCCC=O 420a86986f3e1e9ecd339a2f513a3756 [1,1,0,0,0,0|2,0,0]=4 1701 B11R0.159 CC(F)(F)CCOCCCC=O e202e17e04e3599476efb9f9d726ef3f [1,1,0,0,0,0|2,0,0]=4 1702 B11R0.159 CC(F)(F)CNCCCCC=O e5ce3f05704d9a96249495c425578da6 [1,1,0,0,0,0|2,0,0]=4 1703 B11R0.159 CC(F)(F)COCCCCC=O 1915cb1ebb4469d62b689738bfd5241a [1,1,0,0,0,0|2,0,0]=4 1704 B11R0.159 CC=CCCCOCC(C)(C)O 9d74ee7a0f50fb9cbe32871f69985446 [1,1,0,0,0,0|1,0,1]=4 1705 B11R0.159 CC=CCNCCCC(C)(C)O c0a7284548ec73740cf8c9675c82ef09 [1,1,0,0,0,0|1,0,1]=4 1706 B11R0.159 CC=CCOCCCC(C)(C)O 3d746427bebf4078a276682aca63351b [1,1,0,0,0,0|1,0,1]=4 1707 B11R0.159 CCCCCCNCC(C)(C)O 2aa578fdffe8a98c5a18daa33302c7d4 [1,1,0,0,0,0|1,0,1]=4 1708 B11R0.159 CCCCCCOCC(C)(C)O c0362b6df206c60f756983a4e87a83e1 [1,1,0,0,0,0|1,0,1]=4 1709 B11R0.159 CCCCCNCCC(C)(C)O 3042b95fe42d3f7092916b2c73621e5b [1,1,0,0,0,0|1,0,1]=4 1710 B11R0.159 CCCCCOCCC(C)(C)O 0278db2b4c87f85e7b53063af5b2967b [1,1,0,0,0,0|1,0,1]=4 1711 B11R0.159 CCCCNCCCC(C)(C)O 9d7ac595c2f0c7b802e9232fb11c92d7 [1,1,0,0,0,0|1,0,1]=4 1712 B11R0.159 CCCCOCCCC(C)(C)O 44d401817afbf731461e9f1ff64078cd [1,1,0,0,0,0|1,0,1]=4 1713 B11R0.159 COCCCCNCC(C)(C)O 1e7d71a8acb46e19fc41e2749e1e17fa [1,1,0,0,0,0|2,0,0]=4 1714 B11R0.159 COCCCCOCC(C)(C)O 22b0e46e8774f37ac3641f75412a3569 [1,1,0,0,0,0|2,0,0]=4 1715 B11R0.159 COCCCNCCC(C)(C)O 8d4aaaea548a477d6eb320f8c16f77bd [1,1,0,0,0,0|2,0,0]=4 1716 B11R0.159 COCCCOCCC(C)(C)O b7dd4e7047a1b643f54c899f958b1ab7 [1,1,0,0,0,0|2,0,0]=4 1717 B11R0.159 COCCNCCCC(C)(C)O 5ce0890afbd5d51c7214815e901ff78d [1,1,0,0,0,0|2,0,0]=4 1718 B11R0.159 COCCOCCCC(C)(C)O 4deb0d156be4d1f2c27bc747bd9a24bc [1,1,0,0,0,0|2,0,0]=4 1719 B11R0.159 CSCCCCNCC(C)(C)O 87429c8eb63e53f92694b8b57202c2bb [1,1,0,0,0,0|2,0,0]=4 1720 B11R0.159 CSCCCCOCC(C)(C)O d111c98867944685b51e0d1fd445686c [1,1,0,0,0,0|2,0,0]=4 1721 B11R0.159 CSCCCNCCC(C)(C)O 66da1c23415ae205c651861ff97a27b6 [1,1,0,0,0,0|2,0,0]=4 1722 B11R0.159 CSCCCOCCC(C)(C)O 7affbc124953a3b3a367276779b408f9 [1,1,0,0,0,0|2,0,0]=4 1723 B11R0.159 CSCCNCCCC(C)(C)O 83f5135be8a13b9db7a80cc77dac06be [1,1,0,0,0,0|2,0,0]=4 1724 B11R0.159 CSCCOCCCC(C)(C)O da636bdad159df0c717f6147901f597a [1,1,0,0,0,0|2,0,0]=4 1725 B11R0.165 C=CCCCN(C)CC(C)(C)O 4a8c3a40424e990d7b624af2c621c8e5 [1,1,0,0,0,0|2,0,0]=4 1726 B11R0.165 CC(CC(C)(C)C)OCCC=O 874662d497c09e1e0ab7c25d891ebcb4 [1,1,0,0,0,0|2,0,0]=4 1727 B11R0.165 CC(CC(C)(C)S)OCCC=O b5bbafc773d6fa619016e836556e5ae8 [1,1,0,0,0,0|1,1,0]=4 1728 B11R0.165 CC(COCC=O)CC(C)(C)C 0da5f2b4396eb98a97a5e8281c222f57 [1,1,0,0,0,0|2,0,0]=4 1729 B11R0.165 CN(CCCC=O)CC(C)(C)C f7feaa4afb0ec9ba6b9063aab4cbe76c [1,1,0,0,0,0|2,0,0]=4 1730 B11R0.165 CN(CCCC=O)CC(C)(C)O 69e29fdd6718e4aa1c3055a7fd82054d [1,1,0,0,0,0|1,0,0]=3 1731 B11R0.24 C=CC(CC)OCCC(C)(C)O b0e66f6d509cdb5c5f1e2d1acef49707 [1,1,0,0,0,0|1,0,1]=4 1732 B11R0.24 C=C[C@@H](CO)NCCC(C)(C)O f34209ffd6b84aa3d8134784a16af1a7 [1,1,0,0,0,0|1,0,1]=4 1733 B11R0.24 CC(C)(O)CCNC(C#N)C=O 9e40d43a2a1e7c00b9b7eae46006ff14 [1,1,0,0,0,0|1,0,1]=4 1734 B11R0.24 CC(C)(O)CCNC(C=O)C=O ae961da3d6d8e0732568beefe0c7989a [1,1,0,0,0,0|1,0,1]=4 1735 B11R0.24 CC(C)(O)CCNC(CF)CF 7d7850f7935665eea02bdcd09f6702ec [1,1,0,0,0,0|2,0,0]=4 1736 B11R0.24 CC(C)(O)CCNC(CO)CO 71b6b883177a6bc8610eb92d1becaf5b [1,1,0,0,0,0|1,0,1]=4 1737 B11R0.24 CC(C)(O)CCOC(CBr)CBr 6ff944acdaf6313590cfdda92914c758 [1,1,0,0,0,0|2,0,0]=4 1738 B11R0.24 CC(C)(O)CCOC(CCl)CBr c1f6b54970c5e4d48c7b1f24e3f58f01 [1,1,0,0,0,0|2,0,0]=4 1739 B11R0.24 CC(C)(O)CCOC(CCl)CCl 9e8e05747362e274c919acae505c43bb [1,1,0,0,0,0|2,0,0]=4 1740 B11R0.24 CC(C)(O)CCOC(CF)CF a77abc88b402f7110de9356b899bd0c6 [1,1,0,0,0,0|2,0,0]=4 1741 B11R0.24 CC(C)(O)CCO[C@@H](CCl)CI 9beab64f188c012a3e0a33c2dcf6833d [1,1,0,0,0,0|2,0,0]=4 1742 B11R0.24 CC(C)(O)CCO[C@H](CCl)CI f4e905304f848ecf1736fb12af0dd161 [1,1,0,0,0,0|2,0,0]=4 1743 B11R0.24 CC(C)(O)CNCC(CO)CO 2bde1b1acac58c70f178def39ccae417 [1,1,0,0,0,0|1,0,1]=4 1744 B11R0.24 CC(C)(O)COCC(CBr)CBr 9b7f7a4818d97bf0dcdc243669fe1761 [1,1,0,0,0,0|2,0,0]=4 1745 B11R0.24 CCC(C=O)NCCC(C)(C)C 7dbac6d2a2980ebddef5604ee72d2493 [1,1,0,0,0,0|2,0,0]=4 1746 B11R0.24 CCC(C=O)NCCC(C)(C)F f9367c395a697078e693d8933cd7f599 [1,1,0,0,0,0|2,0,0]=4 1747 B11R0.24 CCC(C=O)NCCC(C)(C)O 0e46f25d69247cb1e7179ff4345195f9 [1,1,0,0,0,0|1,0,0]=3 1748 B11R0.24 CCC(C=O)OCCC(C)(C)C e588d81fdba9b9794817a5d0842c78a9 [1,1,0,0,0,0|2,0,0]=4 1749 B11R0.24 CCC(C=O)OCCC(C)(C)S 9f3b3e47bb2c93d630f533c4a4fd05c4 [1,1,0,0,0,0|1,1,0]=4 1750 B11R0.24 CCC(CC)CNCC(C)(C)O a8cbd2be7f15c0a1bc14b505945316ca [1,1,0,0,0,0|1,0,1]=4 1751 B11R0.24 CCC(CC)COCC(C)(C)O 6eeb417afa5d67a0c5575c91ab5b87dd [1,1,0,0,0,0|1,0,1]=4 1752 B11R0.24 CCC(CC)NCCC(C)(C)O 65f95fb26f203f03aaa7d6c1986c8a40 [1,1,0,0,0,0|1,0,1]=4 1753 B11R0.24 CCC(CC)OCCC(C)(C)O 41f901fab10dabf529395599a01b4374 [1,1,0,0,0,0|1,0,1]=4 1754 B11R0.24 CCC(CO)CNCC(C)(C)O 49993475759a45dff918c8a0d8d6c281 [1,1,0,0,0,0|1,0,1]=4 1755 B11R0.24 CCC(CO)NCCC(C)(C)O 574f653923e2497f0d7c8fbf8c5dd341 [1,1,0,0,0,0|1,0,1]=4 1756 B11R0.24 CCC(COCC(C)(C)O)OC 4c5968c2a639fd3c19514c1f05a8e3f6 [1,1,0,0,0,0|1,0,1]=4 1757 B11R0.24 CC[C@@H](CO)NCCC(C)(C)O e1f3d0f80983521a7192cd25e8a5d1a9 [1,1,0,0,0,0|1,0,1]=4 1758 B11R0.24 CC[C@H](CO)NCCC(C)(C)O 2eb30a09442f3c1a6376f8e3bcdf8b5b [1,1,0,0,0,0|1,0,1]=4 1759 B11R0.24 CO[C@@H](CO)CNCC(C)(C)O 8ad9729d2ce719a98ef492c9eb10b941 [1,1,0,0,0,0|1,0,1]=4 1760 B11R0.89 C=CC(C)COC(C)C(C)(C)O fc6d06c660c878c0ece5fede87c7668f [1,1,0,0,0,0|1,0,1]=4 1761 B11R0.89 C=CC(C)NCC(O)C(C)(C)O 7d1bcec7a3c8ac5743a92c6c6b5fa31d [1,1,0,0,0,0|1,0,1]=4 1762 B11R0.89 C=CC(C)NC[C@@H](F)C(C)(C)O 73a82092c4e22841663ec223b052d7b9 [1,1,0,0,0,0|1,0,1]=4 1763 B11R0.89 C=CC(C)NC[C@H](F)C(C)(C)O 1782e63d0cf9bd35519b0d35ddb76d76 [1,1,0,0,0,0|1,0,1]=4 1764 B11R0.89 CC(C=O)NCC(O)C(C)(C)C 65b749e920b16f2b5ff7834d6e81493c [1,1,0,0,0,0|2,0,0]=4 1765 B11R0.89 CC(C=O)NCC(O)C(C)(C)O e30a6c3180b1469797ba84f1df70f370 [1,1,0,0,0,0|1,0,0]=3 1766 B11R0.89 CC(C=O)NC[C@@H](F)C(C)(C)O 75cc0e3850af2798599127a7fca9b64d [1,1,0,0,0,0|1,0,0]=3 1767 B11R0.89 CC(C=O)NC[C@H](F)C(C)(C)O f71dc6208008932afbb5ed56dd84dccb [1,1,0,0,0,0|1,0,0]=3 1768 B11R0.89 CC(C=O)OCC(=O)C(C)(C)O 2c4785cfff228f960a95695f67d56ac4 [1,1,0,0,0,0|1,0,1]=4 1769 B11R0.89 CC(C=O)OCC(C)C(C)(C)C fc36b3b6c1d62d88ece6e72a9e9962fe [1,1,0,0,0,0|2,0,0]=4 1770 B11R0.89 CC(CO)CNC(C)C(C)(C)O cc791db21c4dce9191b285395ad2b28f [1,1,0,0,0,0|1,0,1]=4 1771 B11R0.89 CC(CO)CN[C@@H](C)C(C)(C)O 3c454dd489f05b9d64af5d72bd180af4 [1,1,0,0,0,0|1,0,1]=4 1772 B11R0.89 CC(CO)CN[C@H](C)C(C)(C)O e51d0116db29b32e5dff9cbeb8377dc3 [1,1,0,0,0,0|1,0,1]=4 1773 B11R0.89 CC(CO)NCC(O)C(C)(C)O 70d01e1e6d124ba8adcf8c683f22da3a [1,1,0,0,0,0|1,0,1]=4 1774 B11R0.89 CC(CO)NC[C@@H](F)C(C)(C)O b69cdafd24ba4d06580715b92f02c484 [1,1,0,0,0,0|1,0,1]=4 1775 B11R0.89 CC(CO)NC[C@H](F)C(C)(C)O c4300a7ace9d1f6ac57067f64e9c8d74 [1,1,0,0,0,0|1,0,1]=4 1776 B11R0.89 CC(CO[C@H](C)C=O)C(C)(C)C f4a0b2af150d90588062bc29d9545abe [1,1,0,0,0,0|2,0,0]=4 1777 B11R0.89 CC(NC[C@@H](C)CO)C(C)(C)O 9c54a9c55e2657d0a56653cc1600c0f6 [1,1,0,0,0,0|1,0,1]=4 1778 B11R0.89 CC(NC[C@H](C)CO)C(C)(C)O 9afb4ba281bf8d8404f1820d8412e20b [1,1,0,0,0,0|1,0,1]=4 1779 B11R0.89 CCC(C)CNC(C)C(C)(C)O 9460d9b04e381821780a2d10d809e4b2 [1,1,0,0,0,0|1,0,1]=4 1780 B11R0.89 CCC(C)CN[C@@H](C)C(C)(C)O cc5a901a84ad1147071b2a1e94b1c06a [1,1,0,0,0,0|1,0,1]=4 1781 B11R0.89 CCC(C)CN[C@H](C)C(C)(C)O e046ddece2bdaaed174a3ad6c0dc8f51 [1,1,0,0,0,0|1,0,1]=4 1782 B11R0.89 CCC(C)COC(C)C(C)(C)O 498d12d2145deebd1b516d93ab50b2d6 [1,1,0,0,0,0|1,0,1]=4 1783 B11R0.89 CCC(C)NCC(O)C(C)(C)O 2cbc3133fca999437a230e1e0f972221 [1,1,0,0,0,0|1,0,1]=4 1784 B11R0.89 CCC(C)NC[C@@H](F)C(C)(C)O f796ca5f7890cafee694d7217a287760 [1,1,0,0,0,0|1,0,1]=4 1785 B11R0.89 CCC(C)NC[C@H](F)C(C)(C)O 3d8fe32c16cf4000689e0db638a53036 [1,1,0,0,0,0|1,0,1]=4 1786 B11R0.89 CC[C@@H](C)CNC(C)C(C)(C)O 1d18d9d0cf99767885307287a23d484d [1,1,0,0,0,0|1,0,1]=4 1787 B11R0.89 CC[C@@H](C)CN[C@@H](C)C(C)(C)O 21da0a65ba4f6b81ca9e2486666a8c64 [1,1,0,0,0,0|1,0,1]=4 1788 B11R0.89 CC[C@@H](C)CN[C@H](C)C(C)(C)O 4057ea438e7d0b70af3c724e1fad5232 [1,1,0,0,0,0|1,0,1]=4 1789 B11R0.89 CC[C@@H](C)COC(C)C(C)(C)O c5b0e89f3962da7aca286bbd9f2052ac [1,1,0,0,0,0|1,0,1]=4 1790 B11R0.89 CC[C@H](C)CNC(C)C(C)(C)O 2a4726a3d73d9a164fb2732f9b44a1cc [1,1,0,0,0,0|1,0,1]=4 1791 B11R0.89 CC[C@H](C)CN[C@@H](C)C(C)(C)O 5e2602a2ad612b57ccfd3ec0e78a33a6 [1,1,0,0,0,0|1,0,1]=4 1792 B11R0.89 CC[C@H](C)CN[C@H](C)C(C)(C)O 23a238b606bb59231e808cacfb0da25e [1,1,0,0,0,0|1,0,1]=4 1793 B11R0.89 CC[C@H](C)COC(C)C(C)(C)O 0b9214c44469256af7a6ed6a62239ca2 [1,1,0,0,0,0|1,0,1]=4 1794 B11R0.89 C[C@@H](CO)CN[C@@H](C)C(C)(C)O 919072872400030444713b111df774a7 [1,1,0,0,0,0|1,0,1]=4 1795 B11R0.89 C[C@@H](CO)CN[C@H](C)C(C)(C)O 51e13ce2b8c857241b62128483c48efc [1,1,0,0,0,0|1,0,1]=4 1796 B11R0.89 C[C@@H](CO)NCC(O)C(C)(C)O bb5000ce4168bcecf1799cc4a9c6651d [1,1,0,0,0,0|1,0,1]=4 1797 B11R0.89 C[C@@H](CO)NC[C@@H](F)C(C)(C)O 20aade16ac9c27d2ddff1ab2d1e70436 [1,1,0,0,0,0|1,0,1]=4 1798 B11R0.89 C[C@@H](CO)NC[C@H](F)C(C)(C)O 22a7fb6cc22d04036f7b138965300056 [1,1,0,0,0,0|1,0,1]=4 1799 B11R0.89 C[C@H](C=O)NCC(O)C(C)(C)C ef83fa4b254ec7d9d40c3e46b496998c [1,1,0,0,0,0|2,0,0]=4 1800 B11R0.89 C[C@H](C=O)NCC(O)C(C)(C)O eefcbd340c73c5fc09b362ddd20f5cfd [1,1,0,0,0,0|1,0,0]=3 1801 B11R0.89 C[C@H](C=O)NC[C@@H](F)C(C)(C)O cd78b356cac26753e513dfd0c748ddb7 [1,1,0,0,0,0|1,0,0]=3 1802 B11R0.89 C[C@H](C=O)NC[C@H](F)C(C)(C)O bdc3aaeb94948d542ec19762c7a2bcf2 [1,1,0,0,0,0|1,0,0]=3 1803 B11R0.89 C[C@H](CO)CN[C@@H](C)C(C)(C)O 4a56cdadc89b89d8fea973a2de78b3d7 [1,1,0,0,0,0|1,0,1]=4 1804 B11R0.89 C[C@H](CO)CN[C@H](C)C(C)(C)O 35e6b8129ff055dc4c263b2b36d2d225 [1,1,0,0,0,0|1,0,1]=4 1805 B11R0.89 C[C@H](CO)NCC(O)C(C)(C)O 09a3a0039fc3cc2ae0f175dd0103e766 [1,1,0,0,0,0|1,0,1]=4 1806 B11R0.89 C[C@H](CO)NC[C@@H](F)C(C)(C)O 6e4f409d3c9b9d18dc06802d22bda7c0 [1,1,0,0,0,0|1,0,1]=4 1807 B11R0.89 C[C@H](CO)NC[C@H](F)C(C)(C)O 3d21bb671d0d0fe1c01788638995f8ec [1,1,0,0,0,0|1,0,1]=4 1808 B11R0.119 CC(C=O)OC(C)CC(C)(C)C e209e3cc449e47f12c4590e847fdf814 [1,1,0,0,0,0|2,0,0]=4 1809 B11R0.119 CC(C=O)OC(C)CC(C)(C)S f81c059c34c816c4caf361964bf19df8 [1,1,0,0,0,0|1,1,0]=4 1810 B11R0.119 CC(CC(C)(C)C)O[C@H](C)C=O 7addc2463138fef1bad547012f8e4b04 [1,1,0,0,0,0|2,0,0]=4 1811 B11R0.119 CC(CC(C)(C)S)O[C@H](C)C=O 0063cd79b4b461ac085e5bfa5fb8b3bc [1,1,0,0,0,0|1,1,0]=4 1812 B11R0.119 CC(CO)CN(C)CC(C)(C)O 4aba6253f34d3447225e696ecc77d7f9 [1,1,0,0,0,0|1,0,1]=4 1813 B11R0.119 CCC(C)CN(C)CC(C)(C)O acd3f7b03a203dfa2dbf4d55933a365c [1,1,0,0,0,0|1,0,1]=4 1814 B11R0.119 CCN(C)CC(O)CC(C)(C)O 2ff2c13953c10726372b971ff205e620 [1,1,0,0,0,0|1,0,1]=4 1815 B11R0.119 CC[C@@H](C)CN(C)CC(C)(C)O 94c960fbd66ffe668cdb3ec49f95898e [1,1,0,0,0,0|1,0,1]=4 1816 B11R0.119 CC[C@H](C)CN(C)CC(C)(C)O af352c5814d5b64ffc14f29d55a9b484 [1,1,0,0,0,0|1,0,1]=4 1817 B11R0.119 C[C@@H](CO)CN(C)CC(C)(C)O 470917909d7fdb79db32f3f7a14eee4c [1,1,0,0,0,0|1,0,1]=4 1818 B11R0.119 C[C@H](CO)CN(C)CC(C)(C)O 4662206294194928bbf22af172991039 [1,1,0,0,0,0|1,0,1]=4 1819 B11R0.131 C=CC(C)(C)COCC(C)(C)O 2208566bdafed9e8006b6bb07702c293 [1,1,0,0,0,0|1,0,1]=4 1820 B11R0.131 CC(C)(C)COCC(C)(C)C=O 687514e0cd1969f80c2f08565f00645e [1,1,0,0,0,0|2,0,0]=4 1821 B11R0.131 CC(C)(F)COCC(C)(C)C=O 384cb0b38c7881b7d87b0d7900ca7a59 [1,1,0,0,0,0|2,0,0]=4 1822 B11R0.131 CC(C)(O)CCNC(C)(C)CF e1f02c300b1ef33a0d81706d5be5f802 [1,1,0,0,0,0|2,0,0]=4 1823 B11R0.131 CC(C)(O)CCNC(C)(C)CO 3cfdd8d2c3529f8e480cbdc896f440f6 [1,1,0,0,0,0|1,0,1]=4 1824 B11R0.131 CC(C)(O)CNCC(C)(C)CF bf7879de7af4964c496b63887da42feb [1,1,0,0,0,0|2,0,0]=4 1825 B11R0.131 CC(C)(O)CNCC(C)(C)CO 32934cb9010d80ab3fa95b84143f2e89 [1,1,0,0,0,0|1,0,1]=4 1826 B11R0.131 CC(C)(O)COCC(C)(C)C=O be02e52ba4ba18202f9f234561bb817b [1,1,0,0,0,0|1,0,0]=3 1827 B11R0.131 CC(C)(O)COCC(C)(C)CF 8bee56f00bcb7816253a3a362fad28bf [1,1,0,0,0,0|2,0,0]=4 1828 B11R0.131 CCC(C)(C)CNCC(C)(C)O 089b85110c594a90f94b5ed4465aa6f2 [1,1,0,0,0,0|1,0,1]=4 1829 B11R0.131 CCC(C)(C)NCCC(C)(C)O bafa04e8cedfbb06e155884c06888c1d [1,1,0,0,0,0|1,0,1]=4 1830 B11R0.131 CCC(C)(O)CNCC(C)(C)O 75201ba0bf6eb83288d8e719059ef0c4 [1,1,0,0,0,0|1,0,1]=4 1831 B11R0.290 C=CC(C)N(C)CCC(C)(C)O cc87d9acaedfd80e38e67be520ffd348 [1,1,0,0,0,0|1,0,1]=4 1832 B11R0.290 C=C[C@@H](C)[C@@H](C)OCC(C)(C)O 0032fdde63a849a74634efb4c9c331ff [1,1,0,0,0,0|1,0,1]=4 1833 B11R0.290 C=C[C@@H](C)[C@H](C)OCC(C)(C)O 66b3295781e345f53d2c4ec2f7040733 [1,1,0,0,0,0|1,0,1]=4 1834 B11R0.290 C=C[C@H](C)[C@@H](C)OCC(C)(C)O 28a621cdc005e22c54a7f44f89db3c1e [1,1,0,0,0,0|1,0,1]=4 1835 B11R0.290 C=C[C@H](C)[C@H](C)OCC(C)(C)O 6fe93b550320f9dd8d8d920e798006ed [1,1,0,0,0,0|1,0,1]=4 1836 B11R0.290 CC(C=O)N(C)CCC(C)(C)C 0a9af54c9e75e5852c4484607c0cb64b [1,1,0,0,0,0|2,0,0]=4 1837 B11R0.290 CC(C=O)N(C)CCC(C)(C)O fcafffce5cc2e77f905c270296637f25 [1,1,0,0,0,0|1,0,0]=3 1838 B11R0.290 CC(CO)N(C)CCC(C)(C)O 678d5607ff979da47cb9007dcbafe9c9 [1,1,0,0,0,0|1,0,1]=4 1839 B11R0.290 CCC(C)C(C)NCC(C)(C)O 4b5aebefa3843cb44476d7d456af963f [1,1,0,0,0,0|1,0,1]=4 1840 B11R0.290 CCC(C)C(C)OCC(C)(C)O f89773f6a1b32fba03a9673f175dd0dd [1,1,0,0,0,0|1,0,1]=4 1841 B11R0.290 CCC(C)N(C)CCC(C)(C)O 96d64c42af9f40eb7709978882a1b01c [1,1,0,0,0,0|1,0,1]=4 1842 B11R0.290 C[C@@H](CO)N(C)CCC(C)(C)O 399d917728081be52727edc305aebb4c [1,1,0,0,0,0|1,0,1]=4 1843 B11R0.290 C[C@H](C=O)N(C)CCC(C)(C)C 254c7e01f0103cd056bffec6c7e139d2 [1,1,0,0,0,0|2,0,0]=4 1844 B11R0.290 C[C@H](C=O)N(C)CCC(C)(C)O 75b8853d04ac7bd2e3d2c78fed91b151 [1,1,0,0,0,0|1,0,0]=3 1845 B11R0.290 C[C@H](CO)N(C)CCC(C)(C)O 62789d5a2c3125cef5428172f37bad49 [1,1,0,0,0,0|1,0,1]=4 1846 B11R0.318 C=C(I)[C@H](C)CNCC(C)(C)O 066d1aff2db0e15ca5021c76dca131be [1,1,0,0,0,0|1,0,1]=4 1847 B11R0.318 CC(=O)C(C)COCC(C)(C)C 96d56a70f2c7cdd5bd6e1eb864642ecc [1,1,0,0,0,0|2,0,0]=4 1848 B11R0.318 CC(=O)C(C)COCC(C)(C)F ff07beee76136234518300056a595413 [1,1,0,0,0,0|2,0,0]=4 1849 B11R0.318 CC(=O)C(C)COCC(C)(C)O 03b3f9e9730d609e0c453b02fe8e915a [1,1,0,0,0,0|1,0,0]=3 1850 B11R0.318 CC(=O)C(C)NCCC(C)(C)C c55cc8de51eaa840dfc279e5b0afcb20 [1,1,0,0,0,0|2,0,0]=4 1851 B11R0.318 CC(=O)C(C)NCCC(C)(C)F 6841888f8d8458575290d5e15dd55e0a [1,1,0,0,0,0|2,0,0]=4 1852 B11R0.318 CC(=O)C(C)NCCC(C)(C)O 0978f83584555e5d32aeb6ad2cc4896e [1,1,0,0,0,0|1,0,0]=3 1853 B11R0.318 CC(=O)C(C)OCCC(C)(C)C dd89aa3809f0e260598551ced8de3a00 [1,1,0,0,0,0|2,0,0]=4 1854 B11R0.318 CC(=O)C(C)OCCC(C)(C)O 10f3d11e024b639481bb0534c9c93c51 [1,1,0,0,0,0|1,0,0]=3 1855 B11R0.318 CC(=O)C(C)OCCC(C)(C)S d8bbd21608a32baa56c14fed1f2f0a3c [1,1,0,0,0,0|1,1,0]=4 1856 B11R0.318 CC(C)(O)CCNC(F)C(=O)N 0db553a3cf657b9a72f27720e9355820 [1,1,0,0,0,0|2,0,0]=4 1857 B11R0.318 CC(C)(O)CCNC(F)C(=O)O a18c8c1eb976a673e18e5f92d6c1a01f [1,1,0,0,0,0|2,0,0]=4 1858 B11R0.318 CC(C)(O)CCNC(O)C(=O)O 5e34e7eb193736e2d5aa4e247fb08ff8 [1,1,0,0,0,0|2,0,0]=4 1859 B11R0.318 CC(C)(O)CCN[C@@H](F)C(=O)O 078e2268e3b4c4758948e8b5067108ba [1,1,0,0,0,0|2,0,0]=4 1860 B11R0.318 CC(C)(O)CNCC(F)C(=O)O 56c1757eee9eabe47cbdc0d40d693ed8 [1,1,0,0,0,0|2,0,0]=4 1861 B11R0.318 CC(C)(O)CNCC(O)C(=O)O 9b97ad1166ed9c7532a84ff1d3c56979 [1,1,0,0,0,0|2,0,0]=4 1862 B11R0.318 CC(C)(O)CNC[C@@H](O)C(=O)O 9da64abddf5c4fa00dddbd548b1d4cfb [1,1,0,0,0,0|2,0,0]=4 1863 B11R0.318 CC(C)(O)CNC[C@H](O)C(=O)O 07ca13d3cd12c1bec226aa9649d205c0 [1,1,0,0,0,0|2,0,0]=4 1864 B11R0.318 CC(C)C(C)CNCC(C)(C)O 73bf0deb2a42fb292a6ac4f2fa3df2b7 [1,1,0,0,0,0|1,0,1]=4 1865 B11R0.318 CC(C)C(C)COCC(C)(C)O 8cb1e1650e289bafaa62f41206c65a18 [1,1,0,0,0,0|1,0,1]=4 1866 B11R0.318 CC(C)C(C)NCCC(C)(C)O 178a02b597e8ae35af6264f0d46872cf [1,1,0,0,0,0|1,0,1]=4 1867 B11R0.318 CC(C)C(C)OCCC(C)(C)O b8217d691c17c4d33f0cb150f729d25c [1,1,0,0,0,0|1,0,1]=4 1868 B11R0.318 CC(C)N(C)CCCC(C)(C)O 32b12b9ad105c932e3e1272511a7dda1 [1,1,0,0,0,0|1,0,1]=4 1869 B11R0.318 CC(C)[C@@H](C)NCCC(C)(C)O f86ac3a6f8635411ead0c9fa8d2eb69d [1,1,0,0,0,0|1,0,1]=4 1870 B11R0.318 CC(C)[C@@H](C)OCCC(C)(C)O 30891f534b7de75f1d16bb63fd22442e [1,1,0,0,0,0|1,0,1]=4 1871 B11R0.318 CC(C)[C@H](C)NCCC(C)(C)O 162b51420e3fe6f997689c47cf344b68 [1,1,0,0,0,0|1,0,1]=4 1872 B11R0.318 CC(C)[C@H](C)OCCC(C)(C)O 3bc0b7039c729d8444bf0a16674b9209 [1,1,0,0,0,0|1,0,1]=4 1873 B11R0.318 CC(CNCC(C)(C)C)C(=O)O cc2eb7ee721c8acd87b7dfc841c35c2d [1,1,0,0,0,0|2,0,0]=4 1874 B11R0.318 CC(CNCC(C)(C)F)C(=O)O ca0fae91d0a75ff8312c7210475e694c [1,1,0,0,0,0|2,0,0]=4 1875 B11R0.318 CC(CNCC(C)(C)O)C(=O)O 2b3b35a5dd474d70a5db2fa3ca6697a7 [1,1,0,0,0,0|1,0,0]=3 1876 B11R0.318 CC(COCC(C)(C)Br)C(=O)O 262058ad256cf4e739b535cda940c1f6 [1,1,0,0,0,0|2,0,0]=4 1877 B11R0.318 CC(COCC(C)(C)C)C(=O)O a68bbc5f7a617e763e3d3214f9a69d68 [1,1,0,0,0,0|2,0,0]=4 1878 B11R0.318 CC(COCC(C)(C)F)C(=O)O 98800df7d25c68a42c2af54403d6aa7e [1,1,0,0,0,0|2,0,0]=4 1879 B11R0.318 CC(COCC(C)(C)O)C(=O)O 298cc64f9138e33d7cedca14e3948d94 [1,1,0,0,0,0|1,0,0]=3 1880 B11R0.318 CC(COCC(C)(C)O)[N+](=O)[O-] 4d302f074158ee5bca0926162014e5c6 [1,1,0,0,0,0|2,0,0]=4 1881 B11R0.318 CC(COCC(C)(C)S)C(=O)O 4704e009c158ea741e58cad1b3da7d48 [1,1,0,0,0,0|1,1,0]=4 1882 B11R0.318 CC(NCCC(C)(C)C)C(=O)N 69ab08244bad09d8d4c426da8a96e77d [1,1,0,0,0,0|2,0,0]=4 1883 B11R0.318 CC(NCCC(C)(C)C)C(=O)O 56c06c0d5fb3d7b87f1cf34570e29758 [1,1,0,0,0,0|2,0,0]=4 1884 B11R0.318 CC(NCCC(C)(C)F)C(=O)N 3ddf03bc3faaef68636e852f0b68619c [1,1,0,0,0,0|2,0,0]=4 1885 B11R0.318 CC(NCCC(C)(C)O)C(=O)N 705dee729081c543163db3c080e7596d [1,1,0,0,0,0|1,0,0]=3 1886 B11R0.318 CC(NCCC(C)(C)O)C(=O)O 3c8cad5133a0f769397d065d31d31d50 [1,1,0,0,0,0|1,0,0]=3 1887 B11R0.318 CC(O)C(C)NCCC(C)(C)O cd7ce8e370dfc138f62192a4feb366a4 [1,1,0,0,0,0|1,0,1]=4 1888 B11R0.318 CC(OCCC(C)(C)C)C(=O)N d3fada76961fe300bd182334f9b49284 [1,1,0,0,0,0|2,0,0]=4 1889 B11R0.318 CC(OCCC(C)(C)C)C(=O)O 893c864c585c78f77ea7cb1720e56adb [1,1,0,0,0,0|2,0,0]=4 1890 B11R0.318 CC(OCCC(C)(C)O)C(=O)N 3c6fab0ad1d4270cd76fafd3dd5026e6 [1,1,0,0,0,0|1,0,0]=3 1891 B11R0.318 CC(OCCC(C)(C)O)C(=O)O 6f19d5c760843937f9916b3d70999a63 [1,1,0,0,0,0|1,0,0]=3 1892 B11R0.318 CC(OCCC(C)(C)O)C(F)F b110c3571f9fd004a24b1973f0fce5fd [1,1,0,0,0,0|2,0,0]=4 1893 B11R0.318 CC(OCCC(C)(C)S)C(=O)N 166de07706d9a56d87cbebf8758f6a4e [1,1,0,0,0,0|1,1,0]=4 1894 B11R0.318 CC(OCCC(C)(C)S)C(=O)O 8bc4f58dd11cb7202d3f74aca06768de [1,1,0,0,0,0|1,1,0]=4 1895 B11R0.318 CC(S)C(C)OCCC(C)(C)O a45d5495924f67b4543dacbc3ae064b8 [1,1,0,0,0,0|1,0,1]=4 1896 B11R0.318 C[C@@H](CNCC(C)(C)C)C(=O)O febe11511067015ec1b5fe4864276d61 [1,1,0,0,0,0|2,0,0]=4 1897 B11R0.318 C[C@@H](CNCC(C)(C)F)C(=O)O bb37dffab7aa84282466c227b34569d0 [1,1,0,0,0,0|2,0,0]=4 1898 B11R0.318 C[C@@H](CNCC(C)(C)O)C(=O)O f31a9769975226623057e2c6d4c45e5f [1,1,0,0,0,0|1,0,0]=3 1899 B11R0.318 C[C@@H](COCC(C)(C)C)C(=O)O 87b9efe26415a0dafef935512f47b6b4 [1,1,0,0,0,0|2,0,0]=4 1900 B11R0.318 C[C@@H](COCC(C)(C)F)C(=O)O d24c249e1c9adde73ae6cf12960f961c [1,1,0,0,0,0|2,0,0]=4 1901 B11R0.318 C[C@@H](COCC(C)(C)O)C(=O)O 5f5b6e07e2c52134c0a4c3ab4bcfff53 [1,1,0,0,0,0|1,0,0]=3 1902 B11R0.318 C[C@@H](NCCC(C)(C)C)C(=O)N 7fe4b349b980da7538b0ae31df0bda9d [1,1,0,0,0,0|2,0,0]=4 1903 B11R0.318 C[C@@H](NCCC(C)(C)C)C(=O)O 323503b3ff51fcee24d1d6f23ad7381f [1,1,0,0,0,0|2,0,0]=4 1904 B11R0.318 C[C@@H](NCCC(C)(C)F)C(=O)N cd166554c305a4b4895e80f2aa383390 [1,1,0,0,0,0|2,0,0]=4 1905 B11R0.318 C[C@@H](NCCC(C)(C)O)C(=O)N 06904bcbd1aea3217ffc7b7fa0a98a97 [1,1,0,0,0,0|1,0,0]=3 1906 B11R0.318 C[C@@H](NCCC(C)(C)O)C(=O)O 40cbab5b8222924a8f5e6cf24f623870 [1,1,0,0,0,0|1,0,0]=3 1907 B11R0.318 C[C@@H](NCCC(C)(C)O)C(F)F 855ab5383a0a55f0d552ec57a02ab454 [1,1,0,0,0,0|2,0,0]=4 1908 B11R0.318 C[C@@H](OCCC(C)(C)C)C(=O)N 9ae8b8cdaf9f4b39bbc83fc88b8c8392 [1,1,0,0,0,0|2,0,0]=4 1909 B11R0.318 C[C@@H](OCCC(C)(C)C)C(=O)O c0e4cf10d30f0a1c3bedf75b8da8722c [1,1,0,0,0,0|2,0,0]=4 1910 B11R0.318 C[C@@H](OCCC(C)(C)O)C(=O)N 131a989ddfb59186be8325be96b396c3 [1,1,0,0,0,0|1,0,0]=3 1911 B11R0.318 C[C@@H](OCCC(C)(C)O)C(=O)O e180cbd3ee231a0042c26750a845657f [1,1,0,0,0,0|1,0,0]=3 1912 B11R0.318 C[C@@H](OCCC(C)(C)S)C(=O)N 97c3ff085ada13c23934d624afdacf45 [1,1,0,0,0,0|1,1,0]=4 1913 B11R0.318 C[C@@H](OCCC(C)(C)S)C(=O)O 6e61d5bea8d235779c5479f2d0faa9b5 [1,1,0,0,0,0|1,1,0]=4 1914 B11R0.318 C[C@H](CNCC(C)(C)C)C(=O)O 867bbf1c3422c5fc591ffa2fd843500e [1,1,0,0,0,0|2,0,0]=4 1915 B11R0.318 C[C@H](CNCC(C)(C)F)C(=O)O 98bd151169af039df78d2e318224917b [1,1,0,0,0,0|2,0,0]=4 1916 B11R0.318 C[C@H](CNCC(C)(C)O)C(=O)O 422e734b87bfc89c0335f63b41dae411 [1,1,0,0,0,0|1,0,0]=3 1917 B11R0.318 C[C@H](COCC(C)(C)C)C(=O)O 28f478bb7c3a08baf28e3456d3a55e5f [1,1,0,0,0,0|2,0,0]=4 1918 B11R0.318 C[C@H](COCC(C)(C)F)C(=O)O 86694419ae1c74e7fc86cded1d8e4325 [1,1,0,0,0,0|2,0,0]=4 1919 B11R0.318 C[C@H](COCC(C)(C)O)C(=O)O e005668fab8501eb31389a47b8879e61 [1,1,0,0,0,0|1,0,0]=3 1920 B11R0.318 C[C@H](NCCC(C)(C)C)C(=O)N 83cf5d0b04ae36c7cf31aea094df00d0 [1,1,0,0,0,0|2,0,0]=4 1921 B11R0.318 C[C@H](NCCC(C)(C)C)C(=O)O 7437acf7262be9474cc2777ea9a44362 [1,1,0,0,0,0|2,0,0]=4 1922 B11R0.318 C[C@H](NCCC(C)(C)F)C(=O)N 65d681dc0e334710148ef0538b401682 [1,1,0,0,0,0|2,0,0]=4 1923 B11R0.318 C[C@H](NCCC(C)(C)O)C(=O)N dd5f952a2782aefabcc38b5b25699607 [1,1,0,0,0,0|1,0,0]=3 1924 B11R0.318 C[C@H](NCCC(C)(C)O)C(=O)O 61d54faf64af726a4156bc145531f890 [1,1,0,0,0,0|1,0,0]=3 1925 B11R0.318 C[C@H](NCCC(C)(C)O)C(F)F e11b252320bc75237c4c99d1a35cd72d [1,1,0,0,0,0|2,0,0]=4 1926 B11R0.318 C[C@H](OCCC(C)(C)C)C(=O)N 31938a018fa093232df20991ed9e1c98 [1,1,0,0,0,0|2,0,0]=4 1927 B11R0.318 C[C@H](OCCC(C)(C)C)C(=O)O 485b0a31aa0a41d9b25c451ba9911838 [1,1,0,0,0,0|2,0,0]=4 1928 B11R0.318 C[C@H](OCCC(C)(C)O)C(=O)N 8e0aad1d4b624c8d039f2951d53f5e14 [1,1,0,0,0,0|1,0,0]=3 1929 B11R0.318 C[C@H](OCCC(C)(C)O)C(=O)O 7b1294c9a491d59131bedfc51d27c2c8 [1,1,0,0,0,0|1,0,0]=3 1930 B11R0.318 C[C@H](OCCC(C)(C)S)C(=O)N 98f7495bbaa16eb8fd9edb033d41810a [1,1,0,0,0,0|1,1,0]=4 1931 B11R0.318 C[C@H](OCCC(C)(C)S)C(=O)O a5b822672945710a4ebd320f51671f77 [1,1,0,0,0,0|1,1,0]=4 1932 B11R0.320 C=CC(C)COCC(C)(C)OC 74120a7cd28fe0f4bd280afb8aede69e [1,1,0,0,0,0|1,0,1]=4 1933 B11R0.320 C=CC(C)NCCC(C)(C)OC cb701e400cce02bd9fa67dfadbfde401 [1,1,0,0,0,0|1,0,1]=4 1934 B11R0.320 C=CC(C)OCCC(C)(C)OC 6bce73fb0b909bb49d73deca4ad22cb6 [1,1,0,0,0,0|1,0,1]=4 1935 B11R0.320 CC(C=O)OCCC(C)(C)C#N 9f8db3c6d6156e8d9979dcbda479fad6 [1,1,0,0,0,0|2,0,0]=4 1936 B11R0.320 CC(CO)CCNC(C)(C)CO 32570432686376a1ececcb78b3509990 [1,1,0,0,0,0|1,0,1]=4 1937 B11R0.320 CC(CO)CNCC(C)(C)CO c678f5e124a769584786d694dfb00d1c [1,1,0,0,0,0|1,0,1]=4 1938 B11R0.320 CCC(C)(C)CCOC(C)C=O 8ef1b687c65f125bbc103b7ab025527a [1,1,0,0,0,0|2,0,0]=4 1939 B11R0.320 CCC(C)(O)CNCC(C)CO 9a335d289407f2a1490e7f920152a0ba [1,1,0,0,0,0|1,0,1]=4 1940 B11R0.320 CCC(C)(O)CNC[C@@H](C)CO a5496a0b9b90aac3e57a4827e029bed2 [1,1,0,0,0,0|1,0,1]=4 1941 B11R0.320 CCC(C)(O)CNC[C@H](C)CO b3c5b2b7d3975b916a9bda36bf93273e [1,1,0,0,0,0|1,0,1]=4 1942 B11R0.320 CCC(C)CCNC(C)(C)CO 5e6008696be38deee644064345e6c309 [1,1,0,0,0,0|1,0,1]=4 1943 B11R0.320 CCC(C)CNCC(C)(C)CO 5a6993e09dcf95ef98aea792557947cc [1,1,0,0,0,0|1,0,1]=4 1944 B11R0.320 CCC(C)CNCC(C)(C)OC d5e73a1aa996171acab8b12173a07d31 [1,1,0,0,0,0|1,0,1]=4 1945 B11R0.320 CCC(C)CNCC(C)(O)CC 90ed96f7e8bd75f104b9253acd2599e1 [1,1,0,0,0,0|1,0,1]=4 1946 B11R0.320 CCC(C)COCC(C)(C)OC 867d655d01e2e0419aaf106b646cb07e [1,1,0,0,0,0|1,0,1]=4 1947 B11R0.320 CCC(C)NCCC(C)(C)OC aaa989054c2ce6179adae0b5df9eb2f5 [1,1,0,0,0,0|1,0,1]=4 1948 B11R0.320 CCC(C)OCCC(C)(C)OC 9fe28fe8b8e9d9f0c1898d539aa77eed [1,1,0,0,0,0|1,0,1]=4 1949 B11R0.320 CC[C@@H](C)CNCC(C)(C)CO 24eab71fd248ae0d833139ca9fb8251b [1,1,0,0,0,0|1,0,1]=4 1950 B11R0.320 CC[C@@H](C)CNCC(C)(C)OC 48bfd9d061f3dd3f72f1e403929a944a [1,1,0,0,0,0|1,0,1]=4 1951 B11R0.320 CC[C@@H](C)CNCC(C)(O)CC acb338fba6d005e1a0c1adf566320995 [1,1,0,0,0,0|1,0,1]=4 1952 B11R0.320 CC[C@@H](C)COCC(C)(C)OC 6063c64689e84a88fc2deaefd0216b47 [1,1,0,0,0,0|1,0,1]=4 1953 B11R0.320 CC[C@H](C)CNCC(C)(C)CO 6938d37850523c9e00577a26153621d2 [1,1,0,0,0,0|1,0,1]=4 1954 B11R0.320 CC[C@H](C)CNCC(C)(C)OC d6da7e44ba2f8e7d6026b4f1d5ab3151 [1,1,0,0,0,0|1,0,1]=4 1955 B11R0.320 CC[C@H](C)CNCC(C)(O)CC f88aa8f5d8a3702f357097f9d88a4a53 [1,1,0,0,0,0|1,0,1]=4 1956 B11R0.320 CC[C@H](C)COCC(C)(C)OC e00e3ce7effe5832220acc513421be5b [1,1,0,0,0,0|1,0,1]=4 1957 B11R0.320 COC(C)(C)CCNC(C)C=O b9566958562e06e3377cbdf25f0234c8 [1,1,0,0,0,0|1,0,0]=3 1958 B11R0.320 COC(C)(C)CCNC(C)CO c703ce07c28c0208f20ea8fcc327637e [1,1,0,0,0,0|1,0,1]=4 1959 B11R0.320 COC(C)(C)CCN[C@@H](C)CO 80079ff9f4c020f1d292fad5b9fb6210 [1,1,0,0,0,0|1,0,1]=4 1960 B11R0.320 COC(C)(C)CCN[C@H](C)C=O d2e99403afe55a483ec6f3398f9ff323 [1,1,0,0,0,0|1,0,0]=3 1961 B11R0.320 COC(C)(C)CCN[C@H](C)CO fa2c491c2da0de113642e7c97ecdaceb [1,1,0,0,0,0|1,0,1]=4 1962 B11R0.320 COC(C)(C)CCOC(C)C=O 79951b4ed48bf9c9c426fb74244dcdb0 [1,1,0,0,0,0|1,0,0]=3 1963 B11R0.320 COC(C)(C)CCO[C@H](C)C=O c09d5021435e66146224456920cd79da [1,1,0,0,0,0|1,0,0]=3 1964 B11R0.320 COC(C)(C)CNCC(C)CO 0d318fd7922edc584381040adf4d7ec5 [1,1,0,0,0,0|1,0,1]=4 1965 B11R0.320 COC(C)(C)CNC[C@@H](C)CO 7768981f90121af8a8f17baf37079e0c [1,1,0,0,0,0|1,0,1]=4 1966 B11R0.320 COC(C)(C)CNC[C@H](C)CO b69fb4cff057a0e2ab9b7c8266000847 [1,1,0,0,0,0|1,0,1]=4 1967 B11R0.320 C[C@@H](CO)CNCC(C)(C)CO 92df5dcec0583e6eb93f292ad5192e83 [1,1,0,0,0,0|1,0,1]=4 1968 B11R0.320 C[C@H](C=O)OCCC(C)(C)C#N 58d629d1f62ce852d3f7bcc6efa9886a [1,1,0,0,0,0|2,0,0]=4 1969 B11R0.320 C[C@H](CO)CNCC(C)(C)CO 62869e4ece411437808d56694a79e2d9 [1,1,0,0,0,0|1,0,1]=4 1970 B11R0.54 C=CCC(C)OC(C)C(C)(C)O fff3606a7676d009799882bec419531f [0,1,0,0,1,0|2,0,0]=4 1971 B11R0.54 C=CC[C@@H](C)OC(C)C(C)(C)O 04a8b8c42f99838fee025aa358aae281 [0,1,0,0,1,0|2,0,0]=4 1972 B11R0.54 C=CC[C@H](C)OC(C)C(C)(C)O 1b8171e7905d9102c85541d89a58d35c [0,1,0,0,1,0|2,0,0]=4 1973 B11R0.170 C=CCC(C)CNC(C)(C)CO 376945a2d824327ecb44ab20e5950d8b [0,1,0,0,1,0|2,0,0]=4 1974 B11R0.170 C=CCC(C)OCC(C)(C)OC 5033c184fbf5bab9661780965231d985 [0,1,0,0,1,0|2,0,0]=4 1975 B11R0.170 C=CC[C@@H](C)OCC(C)(C)OC 4400dbce6234e240b337e073ba41b368 [0,1,0,0,1,0|2,0,0]=4 1976 B11R0.170 C=CC[C@H](C)OCC(C)(C)OC 4f515f918534ec95dbf7ae64db190ae2 [0,1,0,0,1,0|2,0,0]=4 1977 B11R0.337 C=C(Br)CN(C)CCC(C)(C)O 56eba93b6536a89e298b31d88a68315f [0,1,0,0,1,0|2,0,0]=4 1978 B11R0.337 C=C(C)CN(C)CCC(C)(C)O 2594812bbfa03567eaf03c28c8e562b1 [0,1,0,0,1,0|2,0,0]=4 1979 B11R0.337 C=C(Cl)CN(C)CCC(C)(C)O 84016fadae6de508cb45a9de9add55f0 [0,1,0,0,1,0|2,0,0]=4 1980 B11R0.337 C=C(F)CN(C)CCC(C)(C)O 0b17604880bc34c54677913fb58585c9 [0,1,0,0,1,0|2,0,0]=4 1981 B11R0.337 CC(=O)NC(C)CCC(C)(C)C f4b83d152277c59e9bf32423b465aba5 [0,1,0,0,1,0|2,0,0]=4 1982 B11R0.337 CC(=O)OC(C)NCC(C)(C)O 5b74f787b3812e3a8c6202ecf616c7b1 [0,1,0,0,1,0|2,0,0]=4 1983 B11R0.337 CC(CC(=O)N)OCC(C)(C)C b56889079b4da0eb69ba0522926df8e1 [0,1,0,0,1,0|2,0,0]=4 1984 B11R0.337 CC(CC(=O)N)OCC(C)(C)F 0cda28b5194fc948e0cb6c6ff1c31155 [0,1,0,0,1,0|2,0,0]=4 1985 B11R0.337 CC(CC(=O)N)OCC(C)(C)O 562d9443c2df544023348ef1ccb7541f [0,1,0,0,1,0|1,0,0]=3 1986 B11R0.337 CC(CC(=O)O)NCC(C)(C)C 913c6677f156e4830b8f0c03693a1886 [0,1,0,0,1,0|2,0,0]=4 1987 B11R0.337 CC(CC(=O)O)NCC(C)(C)F e80d9ff82ab83dc38e5ca798b64081c4 [0,1,0,0,1,0|2,0,0]=4 1988 B11R0.337 CC(CC(=O)O)NCC(C)(C)O a8e03ba4ed679e1a3b12b940b5e3e453 [0,1,0,0,1,0|1,0,0]=3 1989 B11R0.337 CC(CC(=O)O)OCC(C)(C)C fe53aa8afdad9a88e29c4d5333b81668 [0,1,0,0,1,0|2,0,0]=4 1990 B11R0.337 CC(CC(=O)O)OCC(C)(C)F f2aa52f31e90d8a8b5b858a5f3f043fb [0,1,0,0,1,0|2,0,0]=4 1991 B11R0.337 CC(CC(=O)O)OCC(C)(C)O 6d690ffa3c8267b5cd3872c8c2821074 [0,1,0,0,1,0|1,0,0]=3 1992 B11R0.337 CC(C[N+](=O)[O-])OCC(C)(C)O df7bad197151442cf69bbd1faa54e857 [0,1,0,0,1,0|2,0,0]=4 1993 B11R0.337 CN(CCC(C)(C)C)CC(=O)N 3356560ce78deb23253c0ef296d846f9 [0,1,0,0,1,0|2,0,0]=4 1994 B11R0.337 CN(CCC(C)(C)C)CC(=O)O dcccc9e745e7c5121fd4b7ceca7a5225 [0,1,0,0,1,0|2,0,0]=4 1995 B11R0.337 CN(CCC(C)(C)O)CC(=O)N aeb2cb19977bc310c1890c7f80db0ace [0,1,0,0,1,0|1,0,0]=3 1996 B11R0.337 CN(CCC(C)(C)O)CC(=O)O 7b0a5d17163b5b8cb4f17b47531e54e4 [0,1,0,0,1,0|1,0,0]=3 1997 B11R0.337 CN(CCC(C)(C)O)C[N+](=O)[O-] c962dbd55035dc439cf03ace276dfb19 [0,1,0,0,1,0|2,0,0]=4 1998 B11R0.337 C[C@@H](CC(=O)O)NCC(C)(C)C 7abebc5530a6e478868d3ca948cb4511 [0,1,0,0,1,0|2,0,0]=4 1999 B11R0.337 C[C@@H](CC(=O)O)NCC(C)(C)F e05e6d9059a2759e1a8f132acff41edd [0,1,0,0,1,0|2,0,0]=4 2000 B11R0.337 C[C@@H](CC(=O)O)NCC(C)(C)O 94f80076b0415efbd7aa835c05d8ac6b [0,1,0,0,1,0|1,0,0]=3 2001 B11R0.337 C[C@@H](CC(=O)O)OCC(C)(C)C ea6131ba922c8a3a2065d2e3ba34b2de [0,1,0,0,1,0|2,0,0]=4 2002 B11R0.337 C[C@@H](CC(=O)O)OCC(C)(C)F e2813ddbb655f5dd9fe6132f832904d5 [0,1,0,0,1,0|2,0,0]=4 2003 B11R0.337 C[C@@H](CC(=O)O)OCC(C)(C)O 6f406f6d23c681f2e0ad1662c44d5076 [0,1,0,0,1,0|1,0,0]=3 2004 B11R0.337 C[C@H](CC(=O)O)NCC(C)(C)C 0170bd9dfc354daeead327f4223e7e21 [0,1,0,0,1,0|2,0,0]=4 2005 B11R0.337 C[C@H](CC(=O)O)NCC(C)(C)F 51ca457f03056b3a6b9d6d78a0e65041 [0,1,0,0,1,0|2,0,0]=4 2006 B11R0.337 C[C@H](CC(=O)O)NCC(C)(C)O f4ddcba723bec8967d47e0bd12bdf6fd [0,1,0,0,1,0|1,0,0]=3 2007 B11R0.337 C[C@H](CC(=O)O)OCC(C)(C)C 1d4838a894d7859a27b19440f0860710 [0,1,0,0,1,0|2,0,0]=4 2008 B11R0.337 C[C@H](CC(=O)O)OCC(C)(C)F 15a9f694788b11a85cc5930d7c6cfb99 [0,1,0,0,1,0|2,0,0]=4 2009 B11R0.337 C[C@H](CC(=O)O)OCC(C)(C)O d9923009bce458978c784827a83bbf6f [0,1,0,0,1,0|1,0,0]=3 2010 B13R0.27 C#CCC(C)OCC(O)CC(C)(C)O 0d347d215c7a863ef1cb60c96b24009f [0,1,0,0,0,1|1,0,1]=4 2011 B13R0.27 C/C=C/C(C)OCC(O)CC(C)(C)O abef8c8a8b2607ae574bc1d6e1a3cf0d [0,1,0,0,0,1|1,0,1]=4 2012 B13R0.27 C=CCC(C)COC(C)CC(C)(C)C ccdd9bfbb5fcc628d867169ca41819fc [0,1,0,0,0,1|2,0,0]=4 2013 B13R0.27 C=CCC(C)COC(C)CC(C)(C)S b43698d4ff213eb226913a328099eed6 [0,1,0,0,0,1|1,1,0]=4 2014 B13R0.27 C=CCC(C)OCC(O)CC(C)(C)O e775ce96c2adb618a0aece3e123a815f [0,1,0,0,0,1|1,0,0]=3 2015 B13R0.27 C=CC[C@@H](C)OCC(O)CC(C)(C)O 5d25bfb7d007f6af17348de97e870a5a [0,1,0,0,0,1|1,0,0]=3 2016 B13R0.27 C=CC[C@H](C)OCC(O)CC(C)(C)O 1303e553535e346406b3711361480e6d [0,1,0,0,0,1|1,0,0]=3 2017 B13R0.27 CC(CC#N)NCC(O)CC(C)(C)O 3f6b16866c1c34588cba4e6d9d7f2818 [0,1,0,0,0,1|1,0,1]=4 2018 B13R0.27 CC(CC#N)OCC(O)CC(C)(C)O 5c719fb88f1b29c54045706fd5c7e8c6 [0,1,0,0,0,1|1,0,1]=4 2019 B13R0.27 CC(CCO)NCC(O)CC(C)(C)O c305addaf89cdadf01a1b3ea1bea2c0b [0,1,0,0,0,1|0,0,2]=4 2020 B13R0.27 CC=CC(C)OCC(O)CC(C)(C)O 8e58b3c91191d1bcbeeb5e59a50bf914 [0,1,0,0,0,1|1,0,1]=4 2021 B13R0.27 CCCC(C)NCC(O)CC(C)(C)O 31668a4600cdfe15626d3e9654e94ee0 [0,1,0,0,0,1|1,0,1]=4 2022 B13R0.27 CCCC(C)OCC(O)CC(C)(C)O 4cfac465eb50d68f95283acf4890f000 [0,1,0,0,0,1|1,0,1]=4 2023 B13R0.27 CCC[C@@H](C)OCC(O)CC(C)(C)O 617eb15e35833a3cdba65590a4318034 [0,1,0,0,0,1|1,0,1]=4 2024 B13R0.27 CCC[C@H](C)NCC(O)CC(C)(C)O 7d504b67c9c28ee9da5ae6b00d60cc9c [0,1,0,0,0,1|1,0,1]=4 2025 B13R0.27 CCC[C@H](C)OCC(O)CC(C)(C)O ad0d739b7d53f2dd5f41531e24e1cc98 [0,1,0,0,0,1|1,0,1]=4 2026 B13R0.27 COCC(C)NCC(O)CC(C)(C)O 8031aeaf193d45a6097a810afe8c477b [0,1,0,0,0,1|2,0,0]=4 2027 B13R0.27 COCC(C)OCC(O)CC(C)(C)O c537a00632655f7aa965357e65b96b8d [0,1,0,0,0,1|2,0,0]=4 2028 B13R0.27 COC[C@@H](C)NCC(O)CC(C)(C)O 6089b1f7409e275fdadfb0113c6d48c5 [0,1,0,0,0,1|2,0,0]=4 2029 B13R0.27 COC[C@@H](C)OCC(O)CC(C)(C)O b5401c2f37960e4d9be65f3450ee0305 [0,1,0,0,0,1|2,0,0]=4 2030 B13R0.27 COC[C@H](C)NCC(O)CC(C)(C)O 4b1baec3c0512a6a7a92957c5a35db9f [0,1,0,0,0,1|2,0,0]=4 2031 B13R0.27 COC[C@H](C)OCC(O)CC(C)(C)O ab1985ea324b2db87a904f5a86a3062f [0,1,0,0,0,1|2,0,0]=4 2032 B13R0.27 CSCC(C)OCC(O)CC(C)(C)O be26d4959234d4f982f9fe722de2e3d2 [0,1,0,0,0,1|2,0,0]=4 2033 B13R0.27 C[C@@H](CC#N)OCC(O)CC(C)(C)O 51270dfbd711b52186af8f43b82f68f9 [0,1,0,0,0,1|1,0,1]=4 2034 B13R0.27 C[C@@H](CCO)NCC(O)CC(C)(C)O a43015cb6ca013ee2e1c58cb5ec43213 [0,1,0,0,0,1|0,0,2]=4 2035 B13R0.27 C[C@H](CC#N)OCC(O)CC(C)(C)O 739dd08472bbac0b682b026c8d85b1b7 [0,1,0,0,0,1|1,0,1]=4 2036 B13R0.27 C[C@H](CCO)NCC(O)CC(C)(C)O b4687350f8e4c55ba5a76b1ff78c682a [0,1,0,0,0,1|0,0,2]=4 2037 B13R0.79 CC(=O)CC(=O)NCCCC(C)(C)O 825aa67cc678c27ed76e1f4037c7cc54 [0,1,0,0,0,1|1,0,1]=4 2038 B13R0.79 CC(=O)CN(C)CCOCC(C)(C)C 15bfc846490839bc6df907af3ef51b6b [0,1,0,0,0,1|2,0,0]=4 2039 B13R0.79 CC(=O)CN(C)CCOCC(C)(C)F 9ca65a0668ee40bfaa5384168e48d5d7 [0,1,0,0,0,1|2,0,0]=4 2040 B13R0.79 CC(=O)CN(C)CCOCC(C)(C)O f6dfe70d0f4af405b348087d9012f28e [0,1,0,0,0,1|1,0,0]=3 2041 B13R0.79 CC(=O)NC(C)COCCC(C)(C)C 94842d8695392667f24e6a144154d15d [0,1,0,0,0,1|2,0,0]=4 2042 B13R0.79 CC(=O)NC(C)COCCC(C)(C)O 1b57bb861dc2903b21b00c2db2378afe [0,1,0,0,0,1|1,0,0]=3 2043 B13R0.79 CC(=O)N[C@H](C)COCCC(C)(C)C 5252520b56d2d3719bbc984905925fc8 [0,1,0,0,0,1|2,0,0]=4 2044 B13R0.79 CC(=O)N[C@H](C)COCCC(C)(C)O 8676f59708f7f44afb440a914626a021 [0,1,0,0,0,1|1,0,0]=3 2045 B13R0.79 CC(=O)OC(C)NCCCC(C)(C)C c128018348a335e6d104d03e5deeff0d [0,1,0,0,0,1|2,0,0]=4 2046 B13R0.79 CC(=O)OC(C)NCCCC(C)(C)O 9201e8d575a2e16690c3327ab3415789 [0,1,0,0,0,1|1,0,0]=3 2047 B13R0.79 CC(=O)OC(C)OCCCC(C)(C)C 818d1b3c2d750ec1c220d366dea48d68 [0,1,0,0,0,1|2,0,0]=4 2048 B13R0.79 CC(C)(C)CCNCC(O)CC(=O)O 6a34d6336c64cb77c20e8596c9c082ee [0,1,0,0,0,1|2,0,0]=4 2049 B13R0.79 CC(C)(C)CCNC[C@@H](O)CC(=O)O 040518148c96da12612759bd19d51681 [0,1,0,0,0,1|2,0,0]=4 2050 B13R0.79 CC(C)(C)CCNC[C@H](O)CC(=O)O d8fabd3d7042b2cad6a3c006aeb804b5 [0,1,0,0,0,1|2,0,0]=4 2051 B13R0.79 CC(C)(O)CCCNC(=O)CC(=O)N 957d283c6aa22aba4ec981fb5ee7c905 [0,1,0,0,0,1|1,0,1]=4 2052 B13R0.79 CC(C)(O)CCNCC(=O)CC(=O)O b3c3962b218c7abc9435ad3254559ad4 [0,1,0,0,0,1|1,0,1]=4 2053 B13R0.79 CC(C)(O)CCNCC(O)CC(=O)O 8eb61af55e8dd796a00f0484dd254610 [0,1,0,0,0,1|1,0,0]=3 2054 B13R0.79 CC(C)(O)CCNC[C@@H](O)CC(=O)O ade05d1c1783225fe837702c529d025f [0,1,0,0,0,1|1,0,0]=3 2055 B13R0.79 CC(C)(O)CCNC[C@H](O)CC(=O)O cadeee329f123a147b0b9413ca1890f2 [0,1,0,0,0,1|1,0,0]=3 2056 B13R0.79 CC(C)CC(C)CCOCC(C)(C)O 9fc6ba2308e31d183d77889f76355213 [0,1,0,0,0,1|1,0,1]=4 2057 B13R0.79 CC(C)CC(C)COCCC(C)(C)O a9c368be036a655489a387d5a15ea43e [0,1,0,0,0,1|1,0,1]=4 2058 B13R0.79 CC(C)CC(C)NCCCC(C)(C)O 9d972e83a2f4a2d46a536d4a99fea05b [0,1,0,0,0,1|1,0,1]=4 2059 B13R0.79 CC(C)CC(C)OCCCC(C)(C)O e86f05c84c60180426c2aee75d3395af [0,1,0,0,0,1|1,0,1]=4 2060 B13R0.79 CC(C)C[C@@H](C)OCCCC(C)(C)O 1bb9974503b9575e631e969e0a662931 [0,1,0,0,0,1|1,0,1]=4 2061 B13R0.79 CC(C)C[C@H](C)OCCCC(C)(C)O bec7e0fa3ea07419327aa92b3ac942d4 [0,1,0,0,0,1|1,0,1]=4 2062 B13R0.79 CC(CC(=O)N)OCCCC(C)(C)O e4c5a77f37faeb7a6840cb8863f3c7e1 [0,1,0,0,0,1|0,0,0]=2 2063 B13R0.79 CC(CC(=O)N)OCCCC(C)(F)F 96745184b09253dbe4c1ac999333bb9c [0,1,0,0,0,1|2,0,0]=4 2064 B13R0.79 CC(CC(=O)N)OCCOC(C)(C)C 6224e67a353f84e3e05eb0312306360b [0,1,0,0,0,1|2,0,0]=4 2065 B13R0.79 CC(CC(=O)N)OCCSC(C)(C)C ced459be184084c731981056834f38de [0,1,0,0,0,1|2,0,0]=4 2066 B13R0.79 CC(CC(=O)O)NCCCC(C)(C)C 4f818b208becb52ad8d45639a6578e12 [0,1,0,0,0,1|1,0,0]=3 2067 B13R0.79 CC(CC(=O)O)NCCCC(C)(C)O 15948e2979f763dd326bd7a7d59986f1 [0,1,0,0,0,1|0,0,0]=2 2068 B13R0.79 CC(CC(=O)O)NCCCC(C)(F)F fec5da8de1fb8c36b3ec6b6d67dbdbdd [0,1,0,0,0,1|2,0,0]=4 2069 B13R0.79 CC(CC(=O)O)NCCOC(C)(C)C 0adfdb89128db04b8740a025377249c9 [0,1,0,0,0,1|2,0,0]=4 2070 B13R0.79 CC(CC(=O)O)NCCSC(C)(C)C 9dd379f8675fa628029be5c48e9a243d [0,1,0,0,0,1|2,0,0]=4 2071 B13R0.79 CC(CC(=O)O)OCCCC(C)(C)C 5174e5caf76b298178b392d4475c0011 [0,1,0,0,0,1|1,0,0]=3 2072 B13R0.79 CC(CC(=O)O)OCCCC(C)(C)O b452614f44aca98b2f453963391887b4 [0,1,0,0,0,1|0,0,0]=2 2073 B13R0.79 CC(CC(=O)O)OCCCC(C)(F)F ba37f63befd0adff2fe608b00c68a111 [0,1,0,0,0,1|2,0,0]=4 2074 B13R0.79 CC(CC(=O)O)OCCOC(C)(C)C bc043d2c394f85975b37ca850f56b9b8 [0,1,0,0,0,1|2,0,0]=4 2075 B13R0.79 CC(CC(=O)O)OCCSC(C)(C)C c57e5ddcd961225ad9eada1a102b0f2e [0,1,0,0,0,1|2,0,0]=4 2076 B13R0.79 CC(CCNCC(C)(C)C)CC(=O)O 244bf0d062d333d134aca4e065ec7d7f [0,1,0,0,0,1|1,0,0]=3 2077 B13R0.79 CC(CCNCC(C)(C)O)CC(=O)O b3e5092b28fa1f63434a189b26df09d4 [0,1,0,0,0,1|0,0,0]=2 2078 B13R0.79 CC(CCNCC(C)(F)F)CC(=O)O b456721a0d6f6721fd877e336ac0969e [0,1,0,0,0,1|2,0,0]=4 2079 B13R0.79 CC(CCOCC(C)(C)Br)CC(=O)O 0d65f858797a0ae7904fb5e29b84fd93 [0,1,0,0,0,1|1,0,0]=3 2080 B13R0.79 CC(CCOCC(C)(C)C)CC(=O)O cec2f6e44396f86994c11221afc77f17 [0,1,0,0,0,1|1,0,0]=3 2081 B13R0.79 CC(CCOCC(C)(C)F)CC(=O)O 61e7d2a06f37e81e894110e937a6e805 [0,1,0,0,0,1|1,0,0]=3 2082 B13R0.79 CC(CCOCC(C)(C)S)CC(=O)O 19bca08b2519942a701af6c74c3268ec [0,1,0,0,0,1|0,1,0]=3 2083 B13R0.79 CC(CCOCC(C)(F)F)CC(=O)O 33af89887bc35b2236e394658ff49d4b [0,1,0,0,0,1|2,0,0]=4 2084 B13R0.79 CC(CN(C)C)NCCCC(C)(C)O b76fff7724cfcbdd7891f27e54d12d48 [0,1,0,0,0,1|2,0,0]=4 2085 B13R0.79 CC(CN(C)C)OCCCC(C)(C)O 6ae618f6392ed7693325a00452d3d69e [0,1,0,0,0,1|2,0,0]=4 2086 B13R0.79 CC(CNCCC(C)(C)O)CN(C)C 511d7fb557bb2e1f0e85ef8772537007 [0,1,0,0,0,1|2,0,0]=4 2087 B13R0.79 CC(COCCC(C)(C)O)CN(C)C e61e584f92b7a61fff47cc2cd967b018 [0,1,0,0,0,1|2,0,0]=4 2088 B13R0.79 CC(C[N+](=O)[O-])OCCCC(C)(C)O 0b44281c94d089cff5d6e1c97496ea3c [0,1,0,0,0,1|1,0,0]=3 2089 B13R0.79 CC(O)CC(C)NCCCC(C)(C)O 6a72f7681f8593e9c5235c9f5fafefd7 [0,1,0,0,0,1|0,0,2]=4 2090 B13R0.79 CN(CCCSC(C)(C)C)CC(=O)N 26441a79c9010684731be3dee4452bab [0,1,0,0,0,1|2,0,0]=4 2091 B13R0.79 CN(CCCSC(C)(C)C)CC(=O)O 2ba89ee84ad1a4754d97304b3d41726d [0,1,0,0,0,1|2,0,0]=4 2092 B13R0.79 CN(CCOCC(C)(C)C)CC(=O)O 50ef3b8c9afb9b94d4c2f72fa764620b [0,1,0,0,0,1|2,0,0]=4 2093 B13R0.79 CN(CCOCC(C)(C)F)CC(=O)O 37e3ca777c594697dea440647ae34adb [0,1,0,0,0,1|2,0,0]=4 2094 B13R0.79 CN(CCOCC(C)(C)O)CC(=O)O 880b97a631e22ca7e35864b40cb002ad [0,1,0,0,0,1|1,0,0]=3 2095 B13R0.79 C[C@@H](CC(=O)O)NCCCC(C)(C)O 8c3ff8e02a0d7182a474c1e47285d376 [0,1,0,0,0,1|0,0,0]=2 2096 B13R0.79 C[C@@H](CC(=O)O)NCCCC(C)(F)F 098bb2d13491eda67f72b5427fe8ab31 [0,1,0,0,0,1|2,0,0]=4 2097 B13R0.79 C[C@@H](CC(=O)O)NCCOC(C)(C)C 9c1513d0f46171265fad95468cc72134 [0,1,0,0,0,1|2,0,0]=4 2098 B13R0.79 C[C@@H](CC(=O)O)NCCSC(C)(C)C 4d1ab0571ccb57ce528ad47cc500579a [0,1,0,0,0,1|2,0,0]=4 2099 B13R0.79 C[C@@H](CC(=O)O)OCCCC(C)(C)O 86789a8933365c2b919b1fecae0059e2 [0,1,0,0,0,1|0,0,0]=2 2100 B13R0.79 C[C@@H](CC(=O)O)OCCCC(C)(F)F dc64676d6c50edbcf2aa0865c7c11243 [0,1,0,0,0,1|2,0,0]=4 2101 B13R0.79 C[C@@H](CC(=O)O)OCCOC(C)(C)C 160be703e5a6a047f5369e8fe957eefa [0,1,0,0,0,1|2,0,0]=4 2102 B13R0.79 C[C@@H](CC(=O)O)OCCSC(C)(C)C 03e17f2d3c66a149293581855583d61a [0,1,0,0,0,1|2,0,0]=4 2103 B13R0.79 C[C@@H](CN(C)C)NCCCC(C)(C)O fe46322ca5219fe4830635f407072392 [0,1,0,0,0,1|2,0,0]=4 2104 B13R0.79 C[C@@H](CN(C)C)OCCCC(C)(C)O 66ce2fef241a9b0d76412ab89a38c489 [0,1,0,0,0,1|2,0,0]=4 2105 B13R0.79 C[C@@H](COCCC(C)(C)O)CN(C)C 9e8087b273e62e3154ced119ff13b960 [0,1,0,0,0,1|2,0,0]=4 2106 B13R0.79 C[C@H](CC(=O)O)NCCCC(C)(C)O f10467cf06792800ea97e75bfe4e6aeb [0,1,0,0,0,1|0,0,0]=2 2107 B13R0.79 C[C@H](CC(=O)O)NCCCC(C)(F)F d42e8cc53cc3648c9ef101e55573c508 [0,1,0,0,0,1|2,0,0]=4 2108 B13R0.79 C[C@H](CC(=O)O)NCCOC(C)(C)C 9dc57258d05b183b4240e17181c5f5fd [0,1,0,0,0,1|2,0,0]=4 2109 B13R0.79 C[C@H](CC(=O)O)NCCSC(C)(C)C f24199ab7dd3817bf2a23d45483e777c [0,1,0,0,0,1|2,0,0]=4 2110 B13R0.79 C[C@H](CC(=O)O)OCCCC(C)(C)O c50fb2dc795083c8b6b8bec188271eb2 [0,1,0,0,0,1|0,0,0]=2 2111 B13R0.79 C[C@H](CC(=O)O)OCCCC(C)(F)F c63475704777768d861ca99bf3031e99 [0,1,0,0,0,1|2,0,0]=4 2112 B13R0.79 C[C@H](CC(=O)O)OCCOC(C)(C)C ac5418d79f85e99d7de7d8432a8745bc [0,1,0,0,0,1|2,0,0]=4 2113 B13R0.79 C[C@H](CC(=O)O)OCCSC(C)(C)C e574e79d48c72841f5425192ae8f674f [0,1,0,0,0,1|2,0,0]=4 2114 B13R0.79 C[C@H](CN(C)C)NCCCC(C)(C)O ffeb6b59d6c5775043a61d60d83f1fde [0,1,0,0,0,1|2,0,0]=4 2115 B13R0.79 C[C@H](CN(C)C)OCCCC(C)(C)O bf6487bce1f5d858257127ce70dd08ad [0,1,0,0,0,1|2,0,0]=4 2116 B13R0.79 C[C@H](COCCC(C)(C)O)CN(C)C f1769e5a959fd17f913b174cfd36d906 [0,1,0,0,0,1|2,0,0]=4 2117 B13R0.104 C=C[C@@H](C)[C@@H](C)OCCCC(C)(C)O 82b61014cb6c338d7251c49ae900d321 [0,1,0,0,0,1|1,0,0]=3 2118 B13R0.104 C=C[C@@H](C)[C@H](C)OCCCC(C)(C)O e8e912edd232ec03a110a795a6ce694f [0,1,0,0,0,1|1,0,0]=3 2119 B13R0.104 C=C[C@H](C)[C@@H](C)OCCCC(C)(C)O ddfc6e5968ed8f7d537732f673666c25 [0,1,0,0,0,1|1,0,0]=3 2120 B13R0.104 C=C[C@H](C)[C@H](C)OCCCC(C)(C)O 85b2db30c3030c830746f06ed994bfd2 [0,1,0,0,0,1|1,0,0]=3 2121 B13R0.104 CCC(C)C(C)NCCCC(C)(C)O 5d73a8d40a645c9a3bc918f38341b6d9 [0,1,0,0,0,1|1,0,1]=4 2122 B13R0.104 CCC(C)C(C)OCCCC(C)(C)O e6c6cd1009e18038f557882d844d1a54 [0,1,0,0,0,1|1,0,1]=4 2123 B13R0.104 CCC(S)C(C)COCCC(C)(C)O 6a4a10e9e9395f5b4d18fecf36c3b256 [0,1,0,0,0,1|1,0,1]=4 2124 B13R0.104 COC(C)C(C)OCCCC(C)(C)O f3ae20c2e9793631337e17d67a379389 [0,1,0,0,0,1|2,0,0]=4 2125 B13R0.124 C=CCCC(C)NCCCC(C)(C)C 36bac4052bfe548456c70671814bc746 [0,1,0,0,0,1|2,0,0]=4 2126 B13R0.124 C=CCCC(C)NCCCC(C)(C)O 5deb9bfa9cf66b0bd4527600642beb37 [0,1,0,0,0,1|1,0,0]=3 2127 B13R0.124 C=CCCC(C)OCCCC(C)(C)C 588b1dd26c17e07421728436a69207e8 [0,1,0,0,0,1|2,0,0]=4 2128 B13R0.124 C=CCCC(C)OCCCC(C)(C)O 4e574305c890c3db26d7f16d6835cd42 [0,1,0,0,0,1|1,0,0]=3 2129 B13R0.124 C=CCCC(O)CNCCC(C)(C)O b1526f7d4277226bb9703950ce6b21eb [0,1,0,0,0,1|2,0,0]=4 2130 B13R0.124 C=CCC[C@@H](C)OCCCC(C)(C)O 59db2a787fa2837d3b4cb24502be76bf [0,1,0,0,0,1|1,0,0]=3 2131 B13R0.124 C=CCC[C@@H](O)CNCCC(C)(C)O 512fd73976037d91dcacefb65c265293 [0,1,0,0,0,1|2,0,0]=4 2132 B13R0.124 CC(C)(O)CCCNC(=O)CCC=O f9a0a66780a66828e889f88ce4c8deb0 [0,1,0,0,0,1|1,0,1]=4 2133 B13R0.124 CC(C)(O)CCCNC(=O)CNC=O c322606b5efb290bc00982ee59b7b7e6 [0,1,0,0,0,1|1,0,1]=4 2134 B13R0.124 CC(CCC#N)NCCCC(C)(C)O 5610e9bd8ce06fcd5eec7978d4cf569a [0,1,0,0,0,1|1,0,1]=4 2135 B13R0.124 CC(CCCO)NCCCC(C)(C)O 5ad8fd78f83e1707db9d38cbf457feb6 [0,1,0,0,0,1|0,0,2]=4 2136 B13R0.124 CCCCC(C)CCOCC(C)(C)O 2d6772f2f0b673aaf3f1e720aa3e4d83 [0,1,0,0,0,1|1,0,1]=4 2137 B13R0.124 CCCCC(C)COCCC(C)(C)O 1fa9b5afcdb48cc012bfeda44b484be1 [0,1,0,0,0,1|1,0,1]=4 2138 B13R0.124 CCCCC(C)NCCCC(C)(C)O 3826c5bed5ae72cd947a245ee3207e98 [0,1,0,0,0,1|1,0,1]=4 2139 B13R0.124 CCCCC(C)OCCCC(C)(C)O db2d6ba3b52221ba4ac414b18e9159de [0,1,0,0,0,1|1,0,1]=4 2140 B13R0.124 CCCC[C@@H](C)NCCCC(C)(C)O 6922ec5045dd28eef9ed1add7121e553 [0,1,0,0,0,1|1,0,1]=4 2141 B13R0.124 CCCC[C@@H](C)OCCCC(C)(C)O b6439f7c509ea794bb3e0d63598dcc50 [0,1,0,0,0,1|1,0,1]=4 2142 B13R0.124 CCCC[C@H](C)OCCCC(C)(C)O 412bebec839c61daadcf54596a5740d9 [0,1,0,0,0,1|1,0,1]=4 2143 B13R0.124 CCOCC(C)COCCC(C)(C)O 973f13b166b051a8125fe387e3536910 [0,1,0,0,0,1|1,0,1]=4 2144 B13R0.124 CCOCC(C)OCCCC(C)(C)O 4f0dde90bfb156c779a2071b8e7c005d [0,1,0,0,0,1|1,0,1]=4 2145 B13R0.124 COCCC(C)OCCCC(C)(C)O cd991cecb9e47a3f2036d8d320d8b7fc [0,1,0,0,0,1|0,0,2]=4 2146 B13R0.124 COCO[C@H](C)COCCC(C)(C)O 33b3226fe4ac252a03f59ea556b8945d [0,1,0,0,0,1|2,0,0]=4 2147 B13R0.124 CSCCC(C)OCCCC(C)(C)O a9ab81c36c0b28b4e929ffec95917040 [0,1,0,0,0,1|0,1,1]=4 2148 B13R0.124 C[C@H](CCCO)CNCCC(C)(C)O 79fe04a0a118f405fe863b0530ea0c33 [0,1,0,0,0,1|0,0,2]=4 2149 B13R0.124 C[C@H](CCCO)NCCCC(C)(C)O 3ffb8a2437819da7bdfca0c652e00eb4 [0,1,0,0,0,1|0,0,2]=4 2150 B13R0.234 C=CCC(C)(C)COCCC(C)(C)C 758e79844dfe73f727d7a6999d12b0f0 [0,1,0,0,0,1|2,0,0]=4 2151 B13R0.234 C=CCC(C)(C)COCCC(C)(C)O c761353e3ce3a9fc74003445a93a06f8 [0,1,0,0,0,1|1,0,0]=3 2152 B13R0.234 CC(C)(C)CCOCC(C)(C)NC=O c98cac4cbe699d4d2431b121f56cc469 [0,1,0,0,0,1|2,0,0]=4 2153 B13R0.234 CC(C)(O)CCCNC(C)(C)CCO 6818ac202bca69bcc2af3ac1c676fde4 [0,1,0,0,0,1|0,0,2]=4 2154 B13R0.234 CC(C)(O)CCOCC(C)(C)CC#N 6c157dffef2cb6028cf80cf54711510f [0,1,0,0,0,1|1,0,1]=4 2155 B13R0.234 CC(C)(O)CCOCC(C)(C)NC=O 6559ccef3f765f9ce41cf76e2ac5633c [0,1,0,0,0,1|1,0,0]=3 2156 B13R0.234 CCCC(C)(O)CNCCC(C)(C)O a3c8c127cd5f4cb9500bc60d9cd13510 [0,1,0,0,0,1|1,0,1]=4 2157 B13R0.234 CCCC(C)(S)CCOCC(C)(C)O c70d2ac8eee8e1b5c34d8af345456bac [0,1,0,0,0,1|1,0,1]=4 2158 B13R0.234 COCC(C)(C)CCOCC(C)(C)O 5c759f8d5a9d2c67a98ee32be1349cd0 [0,1,0,0,0,1|2,0,0]=4 2159 B13R0.234 COCC(C)(C)COCCC(C)(C)O 14c67bcddcbce58d9c721ddcc429011c [0,1,0,0,0,1|2,0,0]=4 2160 B13R0.234 COCC(C)(C)NCCCC(C)(C)O dfe86ad1946f4914a3fdb395cd198810 [0,1,0,0,0,1|2,0,0]=4 2161 B13R0.234 COCC(C)(O)CNCCC(C)(C)O 9d9be9e28abc3b288c220be4db3f066b [0,1,0,0,0,1|2,0,0]=4 2162 B13R0.234 CSCC(C)(C)NCCCC(C)(C)O e9528c3dd3f4dc89213e0bc11767a279 [0,1,0,0,0,1|2,0,0]=4 2163 B13R0.268 CC(CCO)N(C)CCCC(C)(C)O 0128ec7f40546b9f9c9ec6abd01c5b5d [0,1,0,0,0,1|0,0,2]=4 2164 B13R0.268 CC(NC=O)C(=O)NCCC(C)(C)O c491f43f4e297ed1f7ebcd5621e1f9ec [0,1,0,0,0,1|1,0,1]=4 2165 B13R0.268 C[C@@H](CCO)N(C)CCCC(C)(C)O 014c156f61db42a61d05387549476005 [0,1,0,0,0,1|0,0,2]=4 2166 B13R0.268 C[C@H](NC=O)C(=O)NCCC(C)(C)O bad0b30c9f6030f187b5b106bbe55d5a [0,1,0,0,0,1|1,0,1]=4 2167 B13R0.316 C#CCC(CC)OCCCC(C)(C)O d554a3ea8ad209bf602fb6c89fc1e2db [0,1,0,0,0,1|1,0,1]=4 2168 B13R0.316 C=CCC(C=C)OCCCC(C)(C)O 673e2dfec1238ba2f3f0121aa1ef7cb5 [0,1,0,0,0,1|1,0,1]=4 2169 B13R0.316 CC(C)(O)CCCNC(CO)CCO 603342dce54e3561565d33f2ffdb1e8d [0,1,0,0,0,1|0,0,2]=4 2170 B13R0.316 CC(C)(O)CCCN[C@@H](CO)CCO 8cb838707424d4a22d12d7e62018df4c [0,1,0,0,0,1|0,0,2]=4 2171 B13R0.316 CC(C)(O)CCCOC(CBr)CCBr e855c0da45fa475b7542dd5293635646 [0,1,0,0,0,1|1,0,1]=4 2172 B13R0.316 CC(C)(O)CCCOC(CCl)CCCl a430bdf50693dc90a9c30548ebcecb07 [0,1,0,0,0,1|1,0,1]=4 2173 B13R0.316 CCC(CC#N)NCCCC(C)(C)O 331a044d669f3c5748501e8e586c8fe0 [0,1,0,0,0,1|1,0,1]=4 2174 B13R0.316 CCC(CC#N)OCCCC(C)(C)O df2ce99a478b1220f4c4d4bcdb34fe18 [0,1,0,0,0,1|1,0,1]=4 2175 B13R0.316 CCC(COC)NCCCC(C)(C)O 07089760e53c3b5df4139f010766f26b [0,1,0,0,0,1|2,0,0]=4 2176 B13R0.316 CCC(COC)OCCCC(C)(C)O 7447c94e394b230726e13708ea1559a6 [0,1,0,0,0,1|2,0,0]=4 2177 B13R0.316 CCC(CSC)OCCCC(C)(C)O 71954988a866607cb02b979a97194ec6 [0,1,0,0,0,1|2,0,0]=4 2178 B13R0.316 CCCC(CC)COCCC(C)(C)O 676257479662098292e763356f7ac66a [0,1,0,0,0,1|1,0,1]=4 2179 B13R0.316 CCCC(CC)NCCCC(C)(C)O ec33e3565d35cdde0984855c8785b598 [0,1,0,0,0,1|1,0,1]=4 2180 B13R0.316 CCCC(CC)OCCCC(C)(C)O 7f2e45caae220330badaabc105f19894 [0,1,0,0,0,1|1,0,1]=4 2181 B13R0.316 CCCC(CCOCC(C)(C)O)SC 62f746db676277be0dacbeede8e5954d [0,1,0,0,0,1|1,0,1]=4 2182 B13R0.316 CCCC(CO)NCCCC(C)(C)O e632319ab843052112fa9938b60fc702 [0,1,0,0,0,1|1,0,1]=4 2183 B13R0.316 CCC[C@@H](CC)OCCCC(C)(C)O 6a3c084e77f1b0d692fa38a0e0b74615 [0,1,0,0,0,1|1,0,1]=4 2184 B13R0.316 CCC[C@@H](CO)NCCCC(C)(C)O 7f8bf7327c6929c01d04f45452f82bdb [0,1,0,0,0,1|1,0,1]=4 2185 B13R0.316 CCC[C@H](CO)NCCCC(C)(C)O 3b7f26be661d9fd44522a5de4a43ec46 [0,1,0,0,0,1|1,0,1]=4 2186 B13R0.316 CC[C@@H](CC#N)NCCCC(C)(C)O b23c14aa0eb5d1d7453341da9c90426a [0,1,0,0,0,1|1,0,1]=4 2187 B13R0.316 CC[C@H](CC#N)NCCCC(C)(C)O 36b552ad035e2d061ba67eb65c6dfb20 [0,1,0,0,0,1|1,0,1]=4 2188 B13R0.316 CC[C@H](CC#N)OCCCC(C)(C)O b01fbe8bd4fc7c5cd810ac9b9bba087d [0,1,0,0,0,1|1,0,1]=4 2189 B13R0.316 COCC(CO)NCCCC(C)(C)O 27306b9813494d7fba82ae2cca7a5f97 [0,1,0,0,0,1|2,0,0]=4 2190 B13R0.316 CSCC(CO)NCCCC(C)(C)O 8b8d27e703264f99ca741139e37aa77a [0,1,0,0,0,1|2,0,0]=4 2191 B13R0.358 C=CCC(C)CNCC(O)C(C)(C)C ea3062b12e965e8cfd7ca7c1a1b2f614 [0,1,0,0,0,1|2,0,0]=4 2192 B13R0.358 C=CCC(C)CNCC(O)C(C)(C)O e7a177ea92cf393d5daed957855241bd [0,1,0,0,0,1|1,0,0]=3 2193 B13R0.358 C=CCC(C)CNC[C@@H](F)C(C)(C)O c39129de0040a38554494243cd908569 [0,1,0,0,0,1|1,0,0]=3 2194 B13R0.358 C=CCC(C)CNC[C@H](F)C(C)(C)O f31118cc759544398d7e6e4c453bdc28 [0,1,0,0,0,1|1,0,0]=3 2195 B13R0.358 C=CCC(C)COCC(=O)C(C)(C)O 3e293e6a65482daaaeff8b4d0af707e8 [0,1,0,0,0,1|1,0,1]=4 2196 B13R0.358 C=CCC(C)COCC(C)C(C)(C)C 55e8cfeadc485eb8adfb75506b33bd90 [0,1,0,0,0,1|2,0,0]=4 2197 B13R0.358 C=CCN(C)CCOC(C)C(C)(C)O ea98dd8a0bbe4c14ae123e38b394303e [0,1,0,0,0,1|2,0,0]=4 2198 B13R0.358 CCCC(C)CCOC(C)C(C)(C)O 5a97451f4627967d43e8d6e01c51d46f [0,1,0,0,0,1|1,0,1]=4 2199 B13R0.358 CCCC(C)CNCC(O)C(C)(C)O f9f106fd85fbe99cfa1d6e49b4226099 [0,1,0,0,0,1|1,0,1]=4 2200 B13R0.358 CCCC(C)CNC[C@@H](F)C(C)(C)O e7cadbd9a25c7d06da4646fe7b40f516 [0,1,0,0,0,1|1,0,1]=4 2201 B13R0.358 CCCC(C)CNC[C@H](F)C(C)(C)O b8ea9ef6e7c6c2ad47623cdfb9fd1514 [0,1,0,0,0,1|1,0,1]=4 2202 B13R0.423 C=CCC(C)CNCCC(C)(C)OC dbe102a0e667f22117a03a1ab5a3e132 [0,1,0,0,0,1|1,0,0]=3 2203 B13R0.423 C=CCC(C)COCCC(C)(C)C#N 1332a5c90a3a7034a457198a6dab14da [0,1,0,0,0,1|2,0,0]=4 2204 B13R0.423 C=CCC(C)COCCC(C)(C)CC c4943a77539294fdaea23c7a2240125f [0,1,0,0,0,1|2,0,0]=4 2205 B13R0.423 C=CCC(C)COCCC(C)(C)OC dd3f327bb845d24d80aeaa6044786263 [0,1,0,0,0,1|1,0,0]=3 2206 B13R0.423 C=CCC(C)OCCCC(C)(C)C#N 43fc82bc369736844d64177381a11c9b [0,1,0,0,0,1|2,0,0]=4 2207 B13R0.423 C=CCC(C)OCCCC(C)(C)C=O f31edb708c8d488be916a057b07367f8 [0,1,0,0,0,1|1,0,1]=4 2208 B13R0.423 C=CCN(C)CCOCC(C)(C)OC e8adb14c4e7bbb060146c4e4bcd5bf62 [0,1,0,0,0,1|2,0,0]=4 2209 B13R0.423 C=CC[C@@H](C)OCCCC(C)(C)C#N 4caeb8c5c5ebd678b865f0a69c747bfb [0,1,0,0,0,1|2,0,0]=4 2210 B13R0.423 C=CC[C@@H](C)OCCCC(C)(C)C=O 3f5e023f9ed27e6317d86bbd983e8cb4 [0,1,0,0,0,1|1,0,1]=4 2211 B13R0.423 C=CC[C@H](C)OCCCC(C)(C)C#N 18c92a2efa29522b91c868811b3873c5 [0,1,0,0,0,1|2,0,0]=4 2212 B13R0.423 C=CC[C@H](C)OCCCC(C)(C)C=O c1e310915ef3311f838662723ce73565 [0,1,0,0,0,1|1,0,1]=4 2213 B13R0.423 CC(C)(CO)CCCNC(=O)CC=O 7cf15a38a234857f249a9066b4203579 [0,1,0,0,0,1|1,0,1]=4 2214 B13R0.423 CC(CC#N)NCCCC(C)(C)CO 4470869ece641c5f542f228cee6865a9 [0,1,0,0,0,1|1,0,1]=4 2215 B13R0.423 CC(CCO)NCCCC(C)(C)CO 33ff93e0fc58fb15cd8bcd58bbc2f316 [0,1,0,0,0,1|0,0,2]=4 2216 B13R0.423 CCCC(C)CCOCC(C)(C)OC e8b6073525f41cf05be862eae517830d [0,1,0,0,0,1|1,0,1]=4 2217 B13R0.423 CCCC(C)CNCCC(C)(C)OC 7ccf148d409bc6438a8ef3ac2902dd51 [0,1,0,0,0,1|1,0,1]=4 2218 B13R0.423 CCCC(C)COCCC(C)(C)OC 8d97ac399b6850072809631ca76a1dbd [0,1,0,0,0,1|1,0,1]=4 2219 B13R0.423 CCCC(C)NCCCC(C)(C)CO e3a57b2cc86ec61c300588776f98feaf [0,1,0,0,0,1|1,0,1]=4 2220 B13R0.423 COCC(C)NCCCC(C)(C)CO 2f7c1aab4360ef2b167e37dca92ba2b7 [0,1,0,0,0,1|2,0,0]=4 2221 B13R0.1522 C=CCC(C)CN(C)CCC(C)(C)C 9f95459696d12f3321a0bd83b988a6d9 [0,1,0,0,0,1|2,0,0]=4 2222 B13R0.1522 C=CCC(C)CN(C)CCC(C)(C)O a52f6243f9f8dc6e64cec090d99d346d [0,1,0,0,0,1|1,0,0]=3 2223 B13R0.1522 C=CC[C@H](C)CC(=O)NCC(C)(C)O fc985796d5d5505e8d2875367215e5b8 [0,1,0,0,0,1|1,0,1]=4 2224 B13R0.1522 CCCC(C)CC(C)OCC(C)(C)O ae32a471a6432c694ad80ca41076bd0e [0,1,0,0,0,1|1,0,1]=4 2225 B13R0.1522 CCCC(C)CN(C)CCC(C)(C)O 89130a0f38b1684bd2772a4b61e2150e [0,1,0,0,0,1|1,0,1]=4 2226 B13R0.167 C=CCCC(C)NCC(O)C(C)(C)O 54e21451782779b0713e600be2d37792 [0,2,0,0,0,0|2,0,0]=4 2227 B13R0.167 C=CCCC(C)NC[C@@H](F)C(C)(C)O d931ee8c98a28fe68b6c965b4b8ce42b [0,2,0,0,0,0|2,0,0]=4 2228 B13R0.167 C=CCCC(C)NC[C@H](F)C(C)(C)O 82cf399afc768a9cdff2916c03ce88bc [0,2,0,0,0,0|2,0,0]=4 2229 B13R0.362 C=CCC(C)CNC(C)(C)C(C)(C)O 1fcc5b0bb30cfcee2d89becbcd6f3d9a [0,2,0,0,0,0|2,0,0]=4 2230 B13R0.416 CC(=O)NC(C)COC(C)C(C)(C)O d6a55f421f0db3fcd1412baecfacaaab [0,2,0,0,0,0|2,0,0]=4 2231 B13R0.416 CC(=O)N[C@H](C)COC(C)C(C)(C)O 8fd882bad9f4e48e216a8da11ec1c325 [0,2,0,0,0,0|2,0,0]=4 2232 B13R0.416 CC(=O)OC(C)NCC(O)C(C)(C)O 945ddc097b3e99af96ee03aa2c5f8035 [0,2,0,0,0,0|2,0,0]=4 2233 B13R0.416 CC(=O)OC(C)NC[C@@H](F)C(C)(C)O bbe00f55623ac4f68f955dffdfeab310 [0,2,0,0,0,0|2,0,0]=4 2234 B13R0.416 CC(=O)OC(C)NC[C@H](F)C(C)(C)O 1dbc6b15c049117f9d8713cedd8cab6b [0,2,0,0,0,0|2,0,0]=4 2235 B13R0.416 CC(CC(=O)N)OCC(=O)C(C)(C)O 64d73b1ebc1153819bd5d47dcd88a130 [0,2,0,0,0,0|1,0,1]=4 2236 B13R0.416 CC(CC(=O)O)NCC(=O)C(C)(C)O 9cf33c9d716b7eb43809e185b96469fb [0,2,0,0,0,0|1,0,1]=4 2237 B13R0.416 CC(CC(=O)O)NCC(O)C(C)(C)O 0d0e3c7a4380eba31ca215d72f41ab55 [0,2,0,0,0,0|1,0,0]=3 2238 B13R0.416 CC(CC(=O)O)NC[C@@H](F)C(C)(C)O bfac49ce5ed23be3e3cf00a6f0e0e7ac [0,2,0,0,0,0|1,0,0]=3 2239 B13R0.416 CC(CC(=O)O)NC[C@H](F)C(C)(C)O 2d0f3e90220f796840cae78a8e422463 [0,2,0,0,0,0|1,0,0]=3 2240 B13R0.416 CC(CC(=O)O)OCC(C)C(C)(C)C 18ff79c685fd13f837b6938919f9e51c [0,2,0,0,0,0|2,0,0]=4 2241 B13R0.416 CC(CCN(C)C(C)(C)C)CC(=O)O c4a3782fe334d106497567bdc962dadb [0,2,0,0,0,0|2,0,0]=4 2242 B13R0.416 CC(NCC(O)CC(=O)O)C(C)(C)O 10d50dec8e0f9febe9306773b7da9f4a [0,2,0,0,0,0|2,0,0]=4 2243 B13R0.416 CC(NC[C@@H](O)CC(=O)O)C(C)(C)O 3cc4c568f6324c2192d991ab2e23de92 [0,2,0,0,0,0|2,0,0]=4 2244 B13R0.416 CC(NC[C@H](O)CC(=O)O)C(C)(C)O 3deade6da5ecc2055e8eae624b8c2e89 [0,2,0,0,0,0|2,0,0]=4 2245 B13R0.416 C[C@@H](CC(=O)O)NCC(=O)C(C)(C)O 5384e826cf233205f464854c0d65da91 [0,2,0,0,0,0|1,0,1]=4 2246 B13R0.416 C[C@H](CC(=O)O)NCC(=O)C(C)(C)O 151b55ff7467bfcffc6c5595fc49fc90 [0,2,0,0,0,0|1,0,1]=4 2247 B13R0.701 C=CCC(C)(C)COC(C)C(C)(C)O 55f2239b2e8cc2071a36829552463fd8 [0,2,0,0,0,0|2,0,0]=4 2248 B13R0.701 CC(OCC(C)(C)NC=O)C(C)(C)O b3dfe60a5fbd8dfeee3e25a3fbd5f2eb [0,2,0,0,0,0|2,0,0]=4 2249 B13R0.1511 C=CCC(C)CN[C@@H](CC)C(C)(C)O 0cac1828c4b6046761386848218e01ef [0,2,0,0,0,0|2,0,0]=4 2250 B13R0.1511 C=CCC(C)CN[C@H](CC)C(C)(C)O 73c9f4099ed31a09767ba23c252169d3 [0,2,0,0,0,0|2,0,0]=4 2251 B13R0.75 CNC(=O)CN(C)CCCC(C)(C)O 30f1f0ddedb59bd3f6b6f430f8b9e90a [0,2,0,0,0,0|1,0,0]=3 2252 B13R0.75 COC(=O)CC(C)CNCC(C)(C)C 28a9ce2dac6486b7d2f1ef3696d41991 [0,2,0,0,0,0|2,0,0]=4 2253 B13R0.75 COC(=O)CC(C)CNCC(C)(C)O 7ce7885d2657e76624c4dc6835b55155 [0,2,0,0,0,0|1,0,0]=3 2254 B13R0.75 COC(=O)CC(C)COCC(C)(C)Br 3e81cdd40f5b88019543156f458030c5 [0,2,0,0,0,0|2,0,0]=4 2255 B13R0.75 COC(=O)CC(C)COCC(C)(C)C 29dcc550657d63a249c0ff55a7243202 [0,2,0,0,0,0|2,0,0]=4 2256 B13R0.75 COC(=O)CC(C)COCC(C)(C)F 53c4de9cca888182a548ce8626fcf2f7 [0,2,0,0,0,0|2,0,0]=4 2257 B13R0.75 COC(=O)CC(C)COCC(C)(C)S 49ad83ae070c053f71d93af7a673a611 [0,2,0,0,0,0|1,1,0]=4 2258 B13R0.75 COC(=O)CC(C)NCCC(C)(C)C 69746b96bc7860f4c7d347569c561cb8 [0,2,0,0,0,0|2,0,0]=4 2259 B13R0.75 COC(=O)CC(C)NCCC(C)(C)F e79997f05d5e9bc80e9f49a313658b8f [0,2,0,0,0,0|2,0,0]=4 2260 B13R0.75 COC(=O)CC(C)NCCC(C)(C)O 13df8feb724fac130986577080248747 [0,2,0,0,0,0|1,0,0]=3 2261 B13R0.75 COC(=O)CC(C)OCCC(C)(C)C 424adc8e0cd752b97eb53a5541f045c4 [0,2,0,0,0,0|2,0,0]=4 2262 B13R0.75 COC(=O)CC(C)OCCC(C)(C)O 2c0fdbf938df419dd3964623565472de [0,2,0,0,0,0|1,0,0]=3 2263 B13R0.75 COC(=O)CC(C)OCCC(C)(C)S 9b046a1cdf57876fc70417390b308787 [0,2,0,0,0,0|1,1,0]=4 2264 B13R0.75 COC(=O)CC(O)CNCC(C)(C)O 6895f60bf33dbace419dadaa576d86ee [0,2,0,0,0,0|2,0,0]=4 2265 B13R0.75 COC(=O)CN(C)CCCC(C)(C)O f62640ae3792a38d8c77f1b4ef78f71c [0,2,0,0,0,0|1,0,0]=3 2266 B13R0.75 COC(=O)C[C@@H](C)NCCC(C)(C)C d6e313f4d672a676600de82ae6e6c52e [0,2,0,0,0,0|2,0,0]=4 2267 B13R0.75 COC(=O)C[C@@H](C)NCCC(C)(C)O 52d77f611473b6aa3888d85a8a95c5d2 [0,2,0,0,0,0|1,0,0]=3 2268 B13R0.75 COC(=O)C[C@@H](C)OCCC(C)(C)C 52b994b228f5e2f397a297aca69027f9 [0,2,0,0,0,0|2,0,0]=4 2269 B13R0.75 COC(=O)C[C@@H](C)OCCC(C)(C)O 94a3efebf67a7fda3135e59afe7549c2 [0,2,0,0,0,0|1,0,0]=3 2270 B13R0.75 COC(=O)C[C@@H](O)CNCC(C)(C)O b1378389371f261770a0c433cef5b21e [0,2,0,0,0,0|2,0,0]=4 2271 B13R0.75 COC(=O)C[C@H](C)CCNC(C)(C)C de27cffac35f44a390d3ad76d7ec5049 [0,2,0,0,0,0|2,0,0]=4 2272 B13R0.75 COC(=O)C[C@H](C)NCCC(C)(C)C 37897d93892aa3b3370d0bb40c8d996f [0,2,0,0,0,0|2,0,0]=4 2273 B13R0.75 COC(=O)C[C@H](C)NCCC(C)(C)F 8153990fd72824c7148434849ed72273 [0,2,0,0,0,0|2,0,0]=4 2274 B13R0.75 COC(=O)C[C@H](C)NCCC(C)(C)O 62568056614d1957138b00e7f582143c [0,2,0,0,0,0|1,0,0]=3 2275 B13R0.75 COC(=O)C[C@H](C)OCCC(C)(C)C d479c97a9c2dac51daf9bc3232f78844 [0,2,0,0,0,0|2,0,0]=4 2276 B13R0.75 COC(=O)C[C@H](C)OCCC(C)(C)O 41a56f23cb3c33c836b8c7ec761f95b0 [0,2,0,0,0,0|1,0,0]=3 2277 B13R0.75 COC(=O)C[C@H](C)OCCC(C)(C)S d80e2eedf3c23d5a3d766b166c5a1313 [0,2,0,0,0,0|1,1,0]=4 2278 B13R0.75 COC(=O)C[C@H](O)CNCC(C)(C)O 0cfda9cbc4620a1c9b878ef0fea5f2d3 [0,2,0,0,0,0|2,0,0]=4 2279 B13R0.75 COC(=O)OC(C)NCCC(C)(C)O d2da51329d067ed13be53f4b0ecfa9c6 [0,2,0,0,0,0|2,0,0]=4 2280 B13R0.82 CC(CC(=O)O)OC(C)CC(C)(C)C 7a8d90d5abd07375c51a354540c0aa24 [0,2,0,0,0,0|2,0,0]=4 2281 B13R0.82 CC(CC(=O)O)OC(C)CC(C)(C)S 73709822984eaeb35fe51405e2f2b158 [0,2,0,0,0,0|1,1,0]=4 2282 B13R0.82 CN(CC(=O)N)CC(O)CC(C)(C)O e12999aa03bcbce9f782834881c4d96f [0,2,0,0,0,0|1,0,0]=3 2283 B13R0.82 CN(CC(=O)O)CC(O)CC(C)(C)O 9afa6c33c8a744365706a5c06554de11 [0,2,0,0,0,0|1,0,0]=3 2284 B13R0.290 C#CC(C)(C)NCCC(C)CC(=O)O 6276ed764eceefd90b97e1967c0bba08 [0,2,0,0,0,0|2,0,0]=4 2285 B13R0.290 CC(C)(CO)CNCC(O)CC(=O)O f6562878d590cb726e170b31e4f21a60 [0,2,0,0,0,0|2,0,0]=4 2286 B13R0.290 CC(C)(CO)CNC[C@@H](O)CC(=O)O ec04c70193bc1e59a4228cc68ec12c58 [0,2,0,0,0,0|2,0,0]=4 2287 B13R0.290 CC(C)(CO)CNC[C@H](O)CC(=O)O e14b18bb7d7b4e98754f245bfae20fa6 [0,2,0,0,0,0|2,0,0]=4 2288 B13R0.290 CC(CC(=O)O)OCCC(C)(C)C#N bebe52861305e63003eeb79665cc7d17 [0,2,0,0,0,0|2,0,0]=4 2289 B13R0.290 CC(CCNC(C)(C)C#N)CC(=O)O 3952cc8d50ea44eded3b51f841dd3d45 [0,2,0,0,0,0|2,0,0]=4 2290 B13R0.290 CC(CCNC(C)(C)CF)CC(=O)O d7d95a115160d144e708b91205397ec2 [0,2,0,0,0,0|2,0,0]=4 2291 B13R0.290 CC(CCNC(C)(C)CO)CC(=O)O 8179aad43ce6fb60ca2f737669366a0b [0,2,0,0,0,0|1,0,0]=3 2292 B13R0.290 CCC(C)(C)CCNC(C)CC(=O)O 0e465d304c3d3594eb3cedaa15966835 [0,2,0,0,0,0|2,0,0]=4 2293 B13R0.290 CCC(C)(C)CCN[C@@H](C)CC(=O)O 1eb19b22a4272e6e607d7b01a4b6ed51 [0,2,0,0,0,0|2,0,0]=4 2294 B13R0.290 CCC(C)(C)CCN[C@H](C)CC(=O)O c15feb5695e10a90324dd3559e63b28f [0,2,0,0,0,0|2,0,0]=4 2295 B13R0.290 CCC(C)(C)CCOC(C)CC(=O)N e2156636b7711de2b1c133f2f9a2fb49 [0,2,0,0,0,0|2,0,0]=4 2296 B13R0.290 CCC(C)(C)CCOC(C)CC(=O)O bcf1802a8459b342a5f78acd72691ff2 [0,2,0,0,0,0|2,0,0]=4 2297 B13R0.290 CCC(C)(C)CCO[C@@H](C)CC(=O)O 3ae47a6efe76c9ffc96a6ab759894ae9 [0,2,0,0,0,0|2,0,0]=4 2298 B13R0.290 CCC(C)(C)CCO[C@H](C)CC(=O)O 414acd6449c9f08aa05c15c5f057993e [0,2,0,0,0,0|2,0,0]=4 2299 B13R0.290 CCC(C)(C)NCCC(C)CC(=O)O 09b67b68f3cafe5b5f36c87e8fe139ba [0,2,0,0,0,0|2,0,0]=4 2300 B13R0.290 CN(CCCC(C)(C)C#N)CC(=O)N f631a1e3a7dbb50b0a8c2e861f20a3fd [0,2,0,0,0,0|2,0,0]=4 2301 B13R0.290 CN(CCCC(C)(C)C#N)CC(=O)O 9edc2711a01701b8310b911cc415e2c2 [0,2,0,0,0,0|2,0,0]=4 2302 B13R0.290 CN(CCCC(C)(C)C=O)CC(=O)N b65e0e3cb25c2975bed508d2dc797360 [0,2,0,0,0,0|1,0,1]=4 2303 B13R0.290 CN(CCCC(C)(C)C=O)CC(=O)O 98a296c63763e51777329869dbb1394c [0,2,0,0,0,0|1,0,1]=4 2304 B13R0.290 COC(C)(C)CCNC(C)CC(=O)O 925a7aff93519bdd3f20842870631f77 [0,2,0,0,0,0|1,0,0]=3 2305 B13R0.290 COC(C)(C)CCNC(C)OC(=O)C f7211f6145c92e824ef54b5178cb7666 [0,2,0,0,0,0|2,0,0]=4 2306 B13R0.290 COC(C)(C)CCOC(C)CC(=O)O 284dd2bd69012caf7585e0aaf66bd7cd [0,2,0,0,0,0|1,0,0]=3 2307 B13R0.290 COC(C)(C)CCOC(C)OC(=O)C 578d438503aeed9bae6de633e850ff71 [0,2,0,0,0,0|2,0,0]=4 2308 B13R0.290 COC(C)(C)CNCC(O)CC(=O)O 10f3fe6f63d25585dd71d41d7ac5f31e [0,2,0,0,0,0|2,0,0]=4 2309 B13R0.290 COC(C)(C)CNC[C@@H](O)CC(=O)O 2c803dc95c22d348b0f6cd3e0b19acee [0,2,0,0,0,0|2,0,0]=4 2310 B13R0.290 COC(C)(C)CNC[C@H](O)CC(=O)O 9802af38cad878bc834328c3a4da9eeb [0,2,0,0,0,0|2,0,0]=4 2311 B13R0.290 COC(C)(C)COCC(C)NC(=O)C 19cf2e4d3fe83cedc0fd3bd6cb712616 [0,2,0,0,0,0|2,0,0]=4 2312 B13R0.290 COC(C)(C)COC[C@@H](C)NC(=O)C fe665a99d1612a199b1caaa50237683b [0,2,0,0,0,0|2,0,0]=4 2313 B13R0.486 CC(=O)CC(C)(C)NCCC(C)(C)C 77a346f0f7c74a1813e3a4928f1edbf4 [0,2,0,0,0,0|2,0,0]=4 2314 B13R0.486 CC(=O)CC(C)(C)NCCC(C)(C)O b0c3fe17328da9137ede5a6deec06da5 [0,2,0,0,0,0|1,0,0]=3 2315 B13R0.486 CC(C)(C)CCNC(C)(C)CC(=O)N eb90b522e1b8ef162623a70ba50f6561 [0,2,0,0,0,0|2,0,0]=4 2316 B13R0.486 CC(C)(C)CCNC(C)(C)CC(=O)O a71a17b4216b3bb6d93c0d5bcbe4eed9 [0,2,0,0,0,0|2,0,0]=4 2317 B13R0.486 CC(C)(C)CNCC(C)(C)CC(=O)O 02337a26347ae43041479d2e1064f9ee [0,2,0,0,0,0|2,0,0]=4 2318 B13R0.486 CC(C)(F)CNCC(C)(C)CC(=O)O 703cc88c71abb15ddf8e4e1033764326 [0,2,0,0,0,0|2,0,0]=4 2319 B13R0.486 CC(C)(O)CCNC(C)(C)CC(=O)N e0d5ac3a74509df09866a701c15f5775 [0,2,0,0,0,0|1,0,0]=3 2320 B13R0.486 CC(C)(O)CCNC(C)(C)CC(=O)O bf1f1d3f98d37d13e514143e0cbb24da [0,2,0,0,0,0|1,0,0]=3 2321 B13R0.486 CC(C)(O)CNCC(C)(C)CC(=O)O efbac8fcf4e59cd1a4697fcc2ecf0411 [0,2,0,0,0,0|1,0,0]=3 2322 B13R0.625 CC(=O)OC(C)N(C)CCC(C)(C)O 7df53e34c2536cd2bb777442f0a36709 [0,2,0,0,0,0|2,0,0]=4 2323 B13R0.625 CC(CC(=O)O)N(C)CCC(C)(C)C 3be30d5cc5f513684363f9bd1d5b90db [0,2,0,0,0,0|2,0,0]=4 2324 B13R0.625 CC(CC(=O)O)N(C)CCC(C)(C)O a1ebf4c73b04b489fd34de6a980139f8 [0,2,0,0,0,0|1,0,0]=3 2325 B13R0.1235 CC(=O)C(=O)C(C)NCCC(C)(C)O 759242b5d179d22df065dfc9ae215028 [0,2,0,0,0,0|1,0,1]=4 2326 B13R0.1235 CC(C(=O)N)N(C)CCCC(C)(C)O b66f8092680b861a0f2e98fd77ceb096 [0,2,0,0,0,0|1,0,0]=3 2327 B13R0.1235 CC(C(=O)O)N(C)CCCC(C)(C)O 941362ca207e4c363402dd8a221395cd [0,2,0,0,0,0|1,0,0]=3 2328 B13R0.1235 CC(C(=S)N)N(C)CCCC(C)(C)O c8066c7f0b296438baf2dddce7475f4f [0,2,0,0,0,0|1,1,0]=4 2329 B13R0.1235 CC(OCCC(C)(C)C)C(C)C(=O)O 238f40a305a96c31c0dfcd2fdda982c0 [0,2,0,0,0,0|2,0,0]=4 2330 B13R0.1235 CC(OCCC(C)(C)O)C(C)C(=O)O 4d693108f486e186724b0810fe9e820c [0,2,0,0,0,0|1,0,0]=3 2331 B13R0.1235 CC(OCCC(C)(C)O)C(C)[N+](=O)[O-] c482df36f32a5200bb701eb0c631e3a2 [0,2,0,0,0,0|2,0,0]=4 2332 B13R0.1235 C[C@@H](C(=O)N)N(C)CCCC(C)(C)O dc8bededdf2b70f87278378be08d1350 [0,2,0,0,0,0|1,0,0]=3 2333 B13R0.1235 C[C@@H](C(=O)O)N(C)CCCC(C)(C)O 0aa0ccf9b9ef12e21d1c266ef39f8c8e [0,2,0,0,0,0|1,0,0]=3 2334 B13R0.1235 C[C@H](C(=O)O)N(C)CCCC(C)(C)O 1e8778b5f30d5e89ff6dda58a7842947 [0,2,0,0,0,0|1,0,0]=3 2335 B13R0.1865 C=C(C)CN(CC)CCCC(C)(C)O 6005679d630e088103d61c473f278ffa [0,2,0,0,0,0|2,0,0]=4 2336 B13R0.1865 CC(C)(C)CCNC(CO)CC(=O)O 3adec84f78b9c4b326acd24855a1e75f [0,2,0,0,0,0|2,0,0]=4 2337 B13R0.1865 CC(C)(C)CCN[C@@H](CO)CC(=O)O 7b06b462d8d633ae2d827a3cc80920f1 [0,2,0,0,0,0|2,0,0]=4 2338 B13R0.1865 CC(C)(C)CCN[C@H](CO)CC(=O)O 3364f20aa6bfceaee315e0cae34aab8a [0,2,0,0,0,0|2,0,0]=4 2339 B13R0.1865 CC(C)(O)CCNC(CO)CC(=O)O 7187ca59ed2ae293a1e559d773c1b06d [0,2,0,0,0,0|1,0,0]=3 2340 B13R0.1865 CC(C)(O)CCN[C@@H](CO)CC(=O)O c79165051808867945f336270bc36729 [0,2,0,0,0,0|1,0,0]=3 2341 B13R0.1865 CC(C)(O)CCN[C@H](CO)CC(=O)O fb1f33cdda75bfef589e0f3527e5a634 [0,2,0,0,0,0|1,0,0]=3 2342 B13R0.1865 CCC(CC(=O)O)NCCC(C)(C)C 396425ea35785be86e373559565ce41b [0,2,0,0,0,0|2,0,0]=4 2343 B13R0.1865 CCC(CC(=O)O)NCCC(C)(C)O 68d981fa264056f11ae7bfc526f430a6 [0,2,0,0,0,0|1,0,0]=3 2344 B13R0.1865 CCC(CC(=O)O)OCCC(C)(C)C c1800eed56612b0c818fe67f4e3f62e2 [0,2,0,0,0,0|2,0,0]=4 2345 B13R0.1865 CCC(CC(=O)O)OCCC(C)(C)O 9ecc980f14e3721174c595e282273dc1 [0,2,0,0,0,0|1,0,0]=3 2346 B13R0.1865 CCN(CCCC(C)(C)O)CC(=O)O 614fe963adb5f460746429c0a35aadd1 [0,2,0,0,0,0|1,0,0]=3 2347 B13R0.1865 CC[C@@H](CC(=O)O)NCCC(C)(C)C ab678d2c69ef4b296515219f6ca6cd85 [0,2,0,0,0,0|2,0,0]=4 2348 B13R0.1865 CC[C@@H](CC(=O)O)NCCC(C)(C)O 1aafe60c13fce757bff66151d677b1ad [0,2,0,0,0,0|1,0,0]=3 2349 B13R0.1865 CC[C@@H](CC(=O)O)OCCC(C)(C)C 7ee3d1a163e26d2d04e9c8bcad7ccdd4 [0,2,0,0,0,0|2,0,0]=4 2350 B13R0.1865 CC[C@@H](CC(=O)O)OCCC(C)(C)O 49fab87a9fad74515c69aac98af56a2c [0,2,0,0,0,0|1,0,0]=3 2351 B13R0.1865 CC[C@@H](COCC(C)(C)O)NC(=O)C e1d180585ca70282f0e9a2bdb3ea829d [0,2,0,0,0,0|2,0,0]=4 2352 B13R0.1865 CC[C@H](CC(=O)O)NCCC(C)(C)C 339770845b86f88747c2b12bb71ee21d [0,2,0,0,0,0|2,0,0]=4 2353 B13R0.1865 CC[C@H](CC(=O)O)NCCC(C)(C)O b8281f641c7461a55e99c4a3e8a5f9b3 [0,2,0,0,0,0|1,0,0]=3 2354 B13R0.1865 CC[C@H](CC(=O)O)OCCC(C)(C)C a96bd7bcb99f343fd637f4e9f5011bab [0,2,0,0,0,0|2,0,0]=4 2355 B13R0.1865 CC[C@H](CC(=O)O)OCCC(C)(C)O 74e5e49cdf6051f736c4dd699d41893b [0,2,0,0,0,0|1,0,0]=3 2356 B13R0.1987 CN(CCCC(C)(C)O)CS(=O)(=O)S 11cd0d9cb9a37e885203d9a7f2f83c3a [0,2,0,0,0,0|2,0,0]=4 2357 B13R0.130 C=CCCN(C)CC(O)CC(C)(C)O ee1803447ca2fdf747591e4a8ec36b13 [0,2,0,0,0,0|2,0,0]=4 2358 B13R0.224 C=CCC(C)CN(CC)CC(C)(C)O 82634548d497dac05e2d50ebc2f8ff3e [0,2,0,0,0,0|2,0,0]=4 2359 B13R0.1077 C=CCC(C)CN(C)CC(C)(C)CO 6eafa987ac985a23769481a1e839f545 [0,2,0,0,0,0|2,0,0]=4 2360 B13R0.42 C=CCCC(C)N(C)CCC(C)(C)O 4195d7a883b4de9fe3812dce6bf61e5e [0,2,0,0,0,0|2,0,0]=4 2361 B13R0.196 C=CCCCN(C)CCCC(C)(C)O 4fee2a7a0c2d9850e020abf6efadf8fc [0,2,0,0,0,0|2,0,0]=4 2362 B13R0.196 C=CCCC[C@H](C)OCCC(C)(C)O 8414f1635317ea2c2008ab906a1c8bef [0,2,0,0,0,0|2,0,0]=4 2363 B13R0.351 CC(=O)NCC(C)OCCC(C)(C)C a1398a51e8544d9663eaf40e05adcb83 [0,2,0,0,0,0|2,0,0]=4 2364 B13R0.351 CC(=O)NCC(C)OCCC(C)(C)O 227374885792214924a096fd2421bd67 [0,2,0,0,0,0|1,0,0]=3 2365 B13R0.351 CC(=O)OCC(C)CNCC(C)(C)C 1fe3b3453da83324d7115525fa70ce1d [0,2,0,0,0,0|2,0,0]=4 2366 B13R0.351 CC(=O)OCC(C)CNCC(C)(C)O 2de19280e8cf355ab8558b8dc3ed543c [0,2,0,0,0,0|1,0,0]=3 2367 B13R0.351 CC(=O)OCC(C)COCC(C)(C)Br 5fb1c26ab3c0635e09484f900cdb22bf [0,2,0,0,0,0|2,0,0]=4 2368 B13R0.351 CC(=O)OCC(C)COCC(C)(C)C 3160b0aae9f92b110984bdfa21a53bdc [0,2,0,0,0,0|2,0,0]=4 2369 B13R0.351 CC(=O)OCC(C)COCC(C)(C)F fdcb35eb559a1c93a12a96114c52f407 [0,2,0,0,0,0|2,0,0]=4 2370 B13R0.351 CC(=O)OCC(C)COCC(C)(C)S cdb53841e3ce2d8b3b7f06c63185632d [0,2,0,0,0,0|1,1,0]=4 2371 B13R0.351 CC(=O)OCC(C)OCCC(C)(C)C 734def74701a7782dcbdcf676d4a4b4f [0,2,0,0,0,0|2,0,0]=4 2372 B13R0.351 CC(=O)OCC(C)OCCC(C)(C)O 2753f3a8bba20009548a789c43fff04b [0,2,0,0,0,0|1,0,0]=3 2373 B13R0.351 CC(=O)OCC(O)CNCC(C)(C)O 6071268ea5e23268b5462a896c6ee612 [0,2,0,0,0,0|2,0,0]=4 2374 B13R0.351 CC(=O)OC[C@H](C)COCC(C)(C)C d32414d4836e9e06405063850a2969a1 [0,2,0,0,0,0|2,0,0]=4 2375 B13R0.351 CC(=O)OC[C@H](C)COCC(C)(C)F 34bc03e457d62fa4439dc3bcbcec0e2e [0,2,0,0,0,0|2,0,0]=4 2376 B13R0.351 CC(=O)OC[C@H](C)COCC(C)(C)O 2c05e7e323efabc6cb6cd8fe914508b4 [0,2,0,0,0,0|1,0,0]=3 2377 B13R0.351 CC(CCC(=O)O)NCCC(C)(C)C d8c117c3902c3aae6b5950694578ec6f [0,2,0,0,0,0|2,0,0]=4 2378 B13R0.351 CC(CCC(=O)O)NCCC(C)(C)F 1e82c7bad6cd69781a644364e4e541ae [0,2,0,0,0,0|2,0,0]=4 2379 B13R0.351 CC(CCC(=O)O)NCCC(C)(C)O 61b4c0cb27eba343265aab2d29137f01 [0,2,0,0,0,0|1,0,0]=3 2380 B13R0.351 CC(CCC(=O)O)OCCC(C)(C)C e90667a085820323ab09bcc0eb3ec4df [0,2,0,0,0,0|2,0,0]=4 2381 B13R0.351 CC(CCC(=O)O)OCCC(C)(C)O 0c73b3edd0c1e45b50f1295c42dd6816 [0,2,0,0,0,0|1,0,0]=3 2382 B13R0.351 CC(CCC(=O)O)OCCC(C)(C)S dab87e6ba2211832c11f4942e4627b13 [0,2,0,0,0,0|1,1,0]=4 2383 B13R0.351 CN(CCCC(C)(C)O)CCC(=O)N bda772b9a75b6663dd0f15d8078d8cf6 [0,2,0,0,0,0|1,0,0]=3 2384 B13R0.351 CN(CCCC(C)(C)O)CCC(=O)O 47a17c1c3ad2167455b45d9b7d33c411 [0,2,0,0,0,0|1,0,0]=3 2385 B13R0.351 C[C@@H](CCC(=O)O)NCCC(C)(C)C dd25bafc4f2e7bdd21601d324cbca56c [0,2,0,0,0,0|2,0,0]=4 2386 B13R0.351 C[C@@H](CCC(=O)O)NCCC(C)(C)O 17ba47804dc021c4e8311ff32e59a82a [0,2,0,0,0,0|1,0,0]=3 2387 B13R0.463 C=CCOC(C)(C)COCC(C)(C)O 3f05573d3864c3f55c5e295cca731c1c [0,2,0,0,0,0|2,0,0]=4 2388 B13R0.685 C=CCCC(C)NCCC(C)(C)OC da65da005f1f76969b74cbbfc4892519 [0,2,0,0,0,0|2,0,0]=4 2389 B13R0.685 C=CCCC(C)OCCC(C)(C)OC c3cfe45aec2bd5dd80b989210f99cafe [0,2,0,0,0,0|2,0,0]=4 2390 B13R0.882 C=CCC(C)(C)COCC(C)(C)OC e6da5fe54f5876c0fd6816694333eec6 [0,2,0,0,0,0|2,0,0]=4 2391 B13R0.882 COC(C)(C)COCC(C)(C)NC=O f8ea3396ec787e008a1da9ed96076cd6 [0,2,0,0,0,0|2,0,0]=4 2392 B13R0.223 C#CCN(CC=C)CCCC(C)(C)O 2f0305baaa69c1d1ebdab7705bdee902 [0,2,0,0,0,0|2,0,0]=4 2393 B13R0.223 C=CCC(CC=C)OCCC(C)(C)O 27cb88e614ea7a1a8200cff351a78b00 [0,2,0,0,0,0|2,0,0]=4 2394 B13R0.223 C=CCN(CC=C)CCCC(C)(C)O cda42c50ae26a06499dcf78622cbbaed [0,2,0,0,0,0|2,0,0]=4 2395 B13R0.223 C=CCN(CCC)CCCC(C)(C)O c56f2d58dd120b1f3704c1d391118f1d [0,2,0,0,0,0|2,0,0]=4 2396 B13R0.223 C=CCN(CCO)CCCC(C)(C)O 580ef7f5c652f24e7d7437eb922ceddf [0,2,0,0,0,0|2,0,0]=4 2397 B13R0.690 C=CCC(OCCC(C)(C)O)C(F)F b61755b6dc82ea5ee912510586748343 [0,2,0,0,0,0|2,0,0]=4 2398 B13R0.690 C=CCN(CCCC(C)(C)O)C(C)C bc825094bfe90f70679cc11a48e6e2f9 [0,2,0,0,0,0|2,0,0]=4 2399 B13R0.1116 C=CCC(C)CNCC(C)(C)C(=O)O a5cf802247da436f7764968724caa73c [0,2,0,0,0,0|2,0,0]=4 2400 B13R0.1116 C=CCC(C)CNCC(C)(C)C(C)O b45a013459a344e9bb077e807c0f7b13 [0,2,0,0,0,0|2,0,0]=4 2401 B13R0.1116 C=CCC(C)COCC(C)(C)C(=O)O cb0c7e6b33f47bf8306c4a04f36a5843 [0,2,0,0,0,0|2,0,0]=4 2402 B13R0.1523 C=CCC(C)CNCC(C)(O)CCC 04339c812664d40cba6038606251126b [0,2,0,0,0,0|2,0,0]=4 2403 B13R0.1523 C=CCC(C)CNCC(C)(O)COC 88da47d0c64992200f8563a73e88fe00 [0,2,0,0,0,0|2,0,0]=4 2404 B13R0.1523 C=CCC(C)COCC(C)(C)COC 7abda17c7430b2d8c1d132f42620d76c [0,2,0,0,0,0|2,0,0]=4 2405 B13R0.1523 C=CCC(C)COCC(C)(C)OCC f7b508dc142094ffc107772959b90f46 [0,2,0,0,0,0|2,0,0]=4 2406 B13R0.1524 C=CCC(C)CNCC(C)(OC)OC ca36ee4114bd579276f6b348771eebed [0,2,0,0,0,0|2,0,0]=4 2407 B13R0.1524 C=CCC(C)CNCC(O)(CC)CC 229ca3a10fb699df30140d7bc6e070ce [0,2,0,0,0,0|2,0,0]=4 2408 B13R0.1524 C=CCC(C)COCC(C)(OC)OC 170d512fb92ea7ab0f85add15dc8f0e7 [0,2,0,0,0,0|2,0,0]=4 2409 B11R1.15 C=CCN(C)C1CCC(C1)O 4e5ab5d17dd2abed32eb64aeb845df1e [1,0,0,1,0,0|2,0,0]=4 2410 B11R1.15 C=CCN(C)[C@@H]1CC[C@@H](C1)O f6b2544657e001217e959dbde02d4bf0 [1,0,0,1,0,0|2,0,0]=4 2411 B11R1.15 CN(CC=O)C1CCC(C1)O 9c99e213aff704dc7969d3dc20848525 [1,0,0,1,0,0|1,0,0]=3 2412 B11R1.15 CN(CC=O)[C@@H]1CC[C@@H](C1)O ddfa78611846c0ab3d030986ace31b58 [1,0,0,1,0,0|1,0,0]=3 2413 B11R1.15 CN1CCC(C1)N(C)CC=O 7e466b99a5a79dadbce6ab802b96fd78 [1,0,0,1,0,0|2,0,0]=4 2414 B11R1.15 CN1CC[C@@H](C1)N(C)CC=O dd656ed57de79e01aede320cb5f11e99 [1,0,0,1,0,0|2,0,0]=4 2415 B11R1.15 CN1CC[C@H](C1)N(C)CC=O 64ad692de16cf8a50ca9687a4f41122e [1,0,0,1,0,0|2,0,0]=4 2416 B11R1.120 CC(C)OC1CN(C1)CC=O 5b6f6cf2f04442459f3acb026c112ad3 [1,0,0,1,0,0|2,0,0]=4 2417 B11R1.120 CN(C)CC1CN(C1)CC=O cd58c3a82dd5c308bb70716d9574ad49 [1,0,0,1,0,0|2,0,0]=4 2418 B11R1.124 CC(C)N1CCC(C1)NC=O 2000599c925f2d1adaf94fc027fa316e [1,0,0,1,0,0|2,0,0]=4 2419 B11R1.124 CC(C)N1CC[C@@H](C1)NC=O 15c4ac14dca64c51050d61b103de9539 [1,0,0,1,0,0|2,0,0]=4 2420 B11R1.124 CC(C)N1CC[C@H](C1)NC=O 380d5b3ec822781a1e6a78ef623aa21c [1,0,0,1,0,0|2,0,0]=4 2421 B11R1.124 CN(C)C1CCC(C1)NC=O a1ff1250ae7cd34e8b6be3af99936791 [1,0,0,1,0,0|2,0,0]=4 2422 B11R1.124 CN(C)C1CCN(C1)CC=O 969d4ac59b2fd346723ea590b382e365 [1,0,0,1,0,0|2,0,0]=4 2423 B11R1.124 CN(C)[C@@H]1CCN(C1)CC=O afe03591fb4d936bc554add688bb085d [1,0,0,1,0,0|2,0,0]=4 2424 B11R1.124 CN(C)[C@H]1CCN(C1)CC=O bb0f864a03df0407b24ddc924ba5de9b [1,0,0,1,0,0|2,0,0]=4 2425 B11R1.135 C=CCN1CCCC(CC1)C 5eeda2af2ed9cb6e52c4cedba7b010f0 [1,0,0,1,0,0|2,0,0]=4 2426 B11R1.135 C=CCN1CCCC(CC1)O 91dcb29ddbab5c7741e2e04b101a7c6d [1,0,0,1,0,0|2,0,0]=4 2427 B11R1.135 C=CCN1CCC[C@@H](CC1)O 61f9bb6c20b640af4170d715e2a79913 [1,0,0,1,0,0|2,0,0]=4 2428 B11R1.135 C=CCN1CCC[C@H](CC1)O 57d4f3bf3320e1d9b8ae91a8310bc197 [1,0,0,1,0,0|2,0,0]=4 2429 B11R1.135 CC1CCCN(CC1)CC=O ebce8a13090c033b9df5a070e4187478 [1,0,0,1,0,0|1,0,0]=3 2430 B11R1.135 CN1CCCC(CC1)NC=O 214f66884c4b417d9efdce8f5a7742cd [1,0,0,1,0,0|2,0,0]=4 2431 B11R1.135 CN1CCCN(CC1)CC=O 33e391cd28ee1857e7a3831a22410f42 [1,0,0,1,0,0|2,0,0]=4 2432 B11R1.135 O=CCN1CCCC(CC1)F fb2e283cfaa6163b9f9c5ac0034805bd [1,0,0,1,0,0|2,0,0]=4 2433 B11R1.135 O=CCN1CCCC(CC1)O 31ccacb7e0c42634bd1710f6e935ebb8 [1,0,0,1,0,0|1,0,0]=3 2434 B11R1.135 O=CCN1CCC[C@@H](CC1)O d98f2882749bc79dd566e6c6038c22b9 [1,0,0,1,0,0|1,0,0]=3 2435 B11R1.135 O=CCN1CCC[C@H](CC1)O f3d14be1772a2a93d79d41a0c1073718 [1,0,0,1,0,0|1,0,0]=3 2436 B11R1.154 C=C1CC(C1)CNCC(C)C 72edcfe655f0901f6324f7b05164d49d [1,0,0,1,0,0|2,0,0]=4 2437 B11R1.154 C=C1CC(C1)CNCC(C)O 32767d32fb26a98fdd49df40af77c178 [1,0,0,1,0,0|2,0,0]=4 2438 B11R1.154 C=C1CC(C1)CNC[C@@H](C)O 9a5e284c24ed40bc827e1c7fea49a17b [1,0,0,1,0,0|2,0,0]=4 2439 B11R1.154 C=C1CC(C1)CNC[C@H](C)O 6550c7ce318791cce2424a76442b2b8d [1,0,0,1,0,0|2,0,0]=4 2440 B11R1.154 C=C1CC(C1)COCC(C)C b5ad30c2666f1005dcf703630ef24845 [1,0,0,1,0,0|2,0,0]=4 2441 B11R1.154 CC(C)CCOC1CC(=O)C1 77ceedcc27815a0602269a8265836b4f [1,0,0,1,0,0|1,0,0]=3 2442 B11R1.154 CC(C)CNCC1CC(=O)C1 71747bea3db2b03b6b0dc24f1389b1f1 [1,0,0,1,0,0|1,0,0]=3 2443 B11R1.154 CC(C)CNCC1CC(=O)N1 048d5b278cb33be321fb230898d1d86d [1,0,0,1,0,0|2,0,0]=4 2444 B11R1.154 CC(C)CNCC1CC(=O)O1 b327f4806ae10e8cb0c7c2f3307e3dc5 [1,0,0,1,0,0|2,0,0]=4 2445 B11R1.154 CC(C)COCC1CC(=O)C1 1f0ca36373015fd7624852104d85cb8d [1,0,0,1,0,0|1,0,0]=3 2446 B11R1.154 CC(C)COCC1CC(=O)N1 5d9850f7d948fa1d9ffc6a9995591800 [1,0,0,1,0,0|2,0,0]=4 2447 B11R1.154 CC(C)COCC1CC(=O)O1 250e0380d5d13c59313f7c64efcd83d2 [1,0,0,1,0,0|2,0,0]=4 2448 B11R1.154 CC(C)COC[C@@H]1CC(=O)N1 7e24991365c427de676a688669e1fcd5 [1,0,0,1,0,0|2,0,0]=4 2449 B11R1.154 CC(C)COC[C@H]1CC(=O)N1 252237eceb232909106e2c019d1f51af [1,0,0,1,0,0|2,0,0]=4 2450 B11R1.154 CC(C)OCOC1CC(=O)C1 923a18dc2da46043e986c2e5266aa02e [1,0,0,1,0,0|2,0,0]=4 2451 B11R1.154 CC(F)COCC1CC(=O)C1 8a862b5e635536c2be1ae6ea9e78597c [1,0,0,1,0,0|2,0,0]=4 2452 B11R1.154 CC(O)CNCC1CC(=O)C1 9bc588e792014938e6dd2ed3b4025f02 [1,0,0,1,0,0|1,0,0]=3 2453 B11R1.154 CC(O)CNCC1CC(=O)N1 d018a46e0631033b116c8e83a2fb0f01 [1,0,0,1,0,0|2,0,0]=4 2454 B11R1.154 CC(O)CNCC1CC(=O)O1 6c2cdcf91fb4b4a5dc2799ca738a0706 [1,0,0,1,0,0|2,0,0]=4 2455 B11R1.154 CC(S)COCC1CC(=O)C1 1dacaed992232d983ebb907649148bab [1,0,0,1,0,0|1,1,0]=4 2456 B11R1.154 CN(C)CCOC1CC(=O)C1 162f20edc33a445fa75234948465365a [1,0,0,1,0,0|2,0,0]=4 2457 B11R1.154 CN(C)COCC1CC(=O)C1 f3f2dae6781997efad7f7170f85e6cb2 [1,0,0,1,0,0|2,0,0]=4 2458 B11R1.154 C[C@@H](F)COCC1CC(=O)C1 aa7911b83f8006bc385c8f8c58645ba2 [1,0,0,1,0,0|2,0,0]=4 2459 B11R1.154 C[C@@H](O)CNCC1CC(=O)C1 6368a4a03665e410968d03d18c06941d [1,0,0,1,0,0|1,0,0]=3 2460 B11R1.154 C[C@@H](O)CNCC1CC(=O)N1 2ef022bb6f09bec6765c3f2d5f537d11 [1,0,0,1,0,0|2,0,0]=4 2461 B11R1.154 C[C@@H](O)CNCC1CC(=O)O1 c9306922d7db23f2e112a939ca683ab6 [1,0,0,1,0,0|2,0,0]=4 2462 B11R1.154 C[C@H](F)COCC1CC(=O)C1 4304df66146e5fc29943bd6d01352ec2 [1,0,0,1,0,0|2,0,0]=4 2463 B11R1.154 C[C@H](O)CNCC1CC(=O)C1 7a0db6ba2510c51bdca748ab2e8135fd [1,0,0,1,0,0|1,0,0]=3 2464 B11R1.154 C[C@H](O)CNCC1CC(=O)N1 d4167c77040f6d20c627fad6ea6f714c [1,0,0,1,0,0|2,0,0]=4 2465 B11R1.154 C[C@H](O)CNCC1CC(=O)O1 cc082ad0f24c98e62c93448d6f80b256 [1,0,0,1,0,0|2,0,0]=4 2466 B11R1.172 CC(C)CCCN1CC=CC1 a0aff21d62ece53643bea5c83b925e24 [1,0,0,1,0,0|2,0,0]=4 2467 B11R1.172 CC(C)CCNC1CC=CC1 ff97272815c790aacd042d3c8f1c8c4b [1,0,0,1,0,0|2,0,0]=4 2468 B11R1.172 CC(C)CCOC1CC=CC1 ce3ebb94e7929aa8ef29f8725012681e [1,0,0,1,0,0|2,0,0]=4 2469 B11R1.172 CC(C)CNCC1CC=CC1 9b82b1f31626dcc3364d8c72969bebae [1,0,0,1,0,0|2,0,0]=4 2470 B11R1.172 CC(C)COCC1CC=CC1 a7af718e1f54eef1f71c496efe08f192 [1,0,0,1,0,0|2,0,0]=4 2471 B11R1.172 CC(O)CCCN1CC=CC1 0a6f448fc250f2e9eb589a04edc0d4c9 [1,0,0,1,0,0|2,0,0]=4 2472 B11R1.172 CC(O)CCNC1CC=CC1 93b63c734535849674c53d31b40866be [1,0,0,1,0,0|2,0,0]=4 2473 B11R1.172 CC(O)CNCC1CC=CC1 025c031fe0565d2e01b2daabf3dec907 [1,0,0,1,0,0|2,0,0]=4 2474 B11R1.172 C[C@@H](O)CNCC1CC=CC1 a75f5533bfea179bc19e546a1b0ac400 [1,0,0,1,0,0|2,0,0]=4 2475 B11R1.172 C[C@H](O)CNCC1CC=CC1 453f7d8c00a4f4265b065c63a4191ad2 [1,0,0,1,0,0|2,0,0]=4 2476 B11R1.201 C=CCC(C)CN1CC(C1)O 430f5e631b5e8e04cd244d1aa247d425 [1,0,0,1,0,0|2,0,0]=4 2477 B11R1.201 C=CCN(C)CC1CC(C1)C f8908b9b9bc77a3c5b480ead34af13c5 [1,0,0,1,0,0|2,0,0]=4 2478 B11R1.201 C=CCN(C)CC1CC(C1)O 0b0b33fb39ad379888e77db0da880c11 [1,0,0,1,0,0|2,0,0]=4 2479 B11R1.201 CN(CC=O)CC1CN(C1)C 12f5927170b58ee43c5d4d7b796bca9f [1,0,0,1,0,0|2,0,0]=4 2480 B11R1.241 CC(C)CCNC1CC1C=O 66188b31e861833f0e8e44c2f7f7b143 [1,0,0,1,0,0|1,0,0]=3 2481 B11R1.241 CC(C)CCOC1CC1C=O 5257a020df1b804b8c7a12914c290c12 [1,0,0,1,0,0|1,0,0]=3 2482 B11R1.241 CC(O)CCNC1CC1C=O 5a8bde41a0ccbf34a4a549628776b32a [1,0,0,1,0,0|1,0,0]=3 2483 B11R1.241 CN(C)CCNC1CC1C=O 96850786fdf0fb92f5bcda116ed9972a [1,0,0,1,0,0|2,0,0]=4 2484 B11R1.241 CN(C)CCOC1CC1C=O 8283105b63f47a033620275f5533d2e1 [1,0,0,1,0,0|2,0,0]=4 2485 B11R1.241 C[C@@H](O)CCNC1CC1C=O 7efde6d7cf27c85826f891999c758f60 [1,0,0,1,0,0|1,0,0]=3 2486 B11R1.241 C[C@H](O)CCNC1CC1C=O 0c49d1c832d9e0ad939711939c8360ef [1,0,0,1,0,0|1,0,0]=3 2487 B11R1.288 C=CCC(C)CNC1CC1C b0b887462d0107094008339cd5b9ebc7 [1,0,0,1,0,0|2,0,0]=4 2488 B11R1.290 C=CCC(C)CNCC1CC1 a7f97b3f7cef4180ac1f0e23f239a820 [1,0,0,1,0,0|2,0,0]=4 2489 B11R1.290 C=CCC(C)COCC1CC1 308ec4bbc460afa6d6a26c207fc6f48b [1,0,0,1,0,0|2,0,0]=4 2490 B11R1.290 C=CCC(C)OCCC1CC1 944c3d7f62324253727266e6f21fe0b8 [1,0,0,1,0,0|2,0,0]=4 2491 B11R1.290 C=CC[C@@H](C)OCCC1CC1 345b41299fea2589eedd46ea953b30c5 [1,0,0,1,0,0|2,0,0]=4 2492 B11R1.290 C=CC[C@H](C)OCCC1CC1 8c3f5605ffb32d34afb88a9a1009c360 [1,0,0,1,0,0|2,0,0]=4 2493 B11R1.342 C=CCN1CCCC(C1)(C)C 93e15cf097dca88449acc9055df9cd28 [1,0,0,1,0,0|2,0,0]=4 2494 B11R1.342 C=CCN1CCCC(C1)(C)O 61ed8fddadca2a44b036ea895f6d6e8c [1,0,0,1,0,0|2,0,0]=4 2495 B11R1.342 C=CCN1CCC[C@@](C1)(C)O e941a00a8b0af3b8cb8ddce5fc1841c9 [1,0,0,1,0,0|2,0,0]=4 2496 B11R1.342 C=CCN1CCC[C@](C1)(C)O de9259a7e72801193779503b2bfa680f [1,0,0,1,0,0|2,0,0]=4 2497 B11R1.342 CC1(CC(CCO1)NC=O)C ca79ce91362e676195b61552401d53ca [1,0,0,1,0,0|2,0,0]=4 2498 B11R1.342 CC1(CCCC(C1)NC=O)C f62fb684d3acfa7384dd15d1d4ab4eae [1,0,0,1,0,0|1,0,0]=3 2499 B11R1.342 CC1(CCCC(C1)NC=O)O 44d3db4bc179bc7fb92b782ab3a1c6d2 [1,0,0,1,0,0|1,0,0]=3 2500 B11R1.342 CC1(CCCN(C1)CC=O)C db0096f3a5c58d6161d968dcbc0017ef [1,0,0,1,0,0|1,0,0]=3 2501 B11R1.342 CC1(CCCN(C1)CC=O)O d322962a42f34d99c0458165e31dd31f [1,0,0,1,0,0|1,0,0]=3 2502 B11R1.342 CC1(CCC[C@@H](C1)NC=O)C 8d065fd35d5048328ad496addcb8a9fe [1,0,0,1,0,0|1,0,0]=3 2503 B11R1.342 CC1(CCC[C@H](C1)NC=O)C 762cac641c58fa5f04864151c0c1c95b [1,0,0,1,0,0|1,0,0]=3 2504 B11R1.342 CC1(CN(CCO1)CC=O)C b837e17033910d779e60f6e7fc27bbb8 [1,0,0,1,0,0|2,0,0]=4 2505 B11R1.342 CC1(C[C@@H](CCO1)NC=O)C cbf3639e71ba06b88aa5e866f97d9ccf [1,0,0,1,0,0|2,0,0]=4 2506 B11R1.342 CC1(C[C@H](CCO1)NC=O)C b36d86f506830db9085d3eb73f54d21b [1,0,0,1,0,0|2,0,0]=4 2507 B11R1.342 C[C@@]1(CCCN(C1)CC=O)O 80f5a590b5829bc7901f4607fca0ca87 [1,0,0,1,0,0|1,0,0]=3 2508 B11R1.342 C[C@@]1(CCC[C@H](C1)NC=O)O c8f25c4ab4fcacaf236114f5f16613a7 [1,0,0,1,0,0|1,0,0]=3 2509 B11R1.342 C[C@]1(CCCN(C1)CC=O)O 763a3ed06de200c65f84a3c8981e889e [1,0,0,1,0,0|1,0,0]=3 2510 B11R1.342 C[C@]1(CCC[C@H](C1)NC=O)O a8faee2ac19fc260b1c658750e2cfa44 [1,0,0,1,0,0|1,0,0]=3 2511 B11R1.645 CC(C)OC1CC(OC1=O)C 1d0b8ad623d9066a599b8f27baa3cd4f [1,0,0,1,0,0|2,0,0]=4 2512 B11R1.645 CC(C)O[C@@H]1C[C@@H](NC1=O)C 09e4b151d422c6f3ed5a8d798a0c460c [1,0,0,1,0,0|2,0,0]=4 2513 B11R1.839 C=CCC(C)CN1CC1(C)C cdd57277b8c7c635a480d75b4030423f [1,0,0,1,0,0|2,0,0]=4 2514 B11R1.839 C=CCC(C)OC1CC1(C)C fdba9bf38f66ec2fd0254ca3df1824bd [1,0,0,1,0,0|2,0,0]=4 2515 B11R1.839 C=CC[C@@H](C)OC1CC1(C)C 4aa2222375e200acf5dd41dca1cbe107 [1,0,0,1,0,0|2,0,0]=4 2516 B11R1.839 C=CC[C@H](C)OC1CC1(C)C 4b796d5d5d5c9cb4c15edb578a5f8ddf [1,0,0,1,0,0|2,0,0]=4 2517 B11R1.1251 CN1CCCC(C1)(C)NC=O 43dd87d7f299aac80c0cd366902eb7ab [1,0,0,1,0,0|2,0,0]=4 2518 B11R1.58 CC(C)(O)C1CCCN1C=O 4babd2a46bcef0460f3e2c446a2d2873 [1,0,0,1,0,0|1,0,0]=3 2519 B11R1.58 CC(C)(O)[C@@H]1CCCN1C=O 042343be2211650ac488adbef19dbe00 [1,0,0,1,0,0|1,0,0]=3 2520 B11R1.58 CC(C)(O)[C@H]1CCCN1C=O 9705d3cd02ba0715cd97aac83f9bc599 [1,0,0,1,0,0|1,0,0]=3 2521 B11R1.148 C=C1CC1COCC(C)(C)O 17f021c12918066e61b970e5e944b926 [1,0,0,1,0,0|2,0,0]=4 2522 B11R1.160 CC(C)(C)COC1CCC1=O 2436147c66bb479d36c2d5ef240563c2 [1,0,0,1,0,0|2,0,0]=4 2523 B11R1.160 CC(C)(F)COC1CCC1=O 2a3af4cb07e96c3491ecfb5505728f2d [1,0,0,1,0,0|2,0,0]=4 2524 B11R1.160 CC(C)(O)CN[C@H]1CNC1=O d139953146b0831ece6a9b282bd84292 [1,0,0,1,0,0|2,0,0]=4 2525 B11R1.160 CC(C)(O)COC1CCC1=O f4b2ac6c373ce4b96c1e126d7001e743 [1,0,0,1,0,0|1,0,0]=3 2526 B11R1.213 C=CCCN1CCC(C1)(C)O 387c4b7d548cbac971fa0bd9350c1638 [1,0,0,1,0,0|2,0,0]=4 2527 B11R1.213 C=CCCN1CC[C@@](C1)(C)O 7dcbac6c03649fdc0247cf391ff5c208 [1,0,0,1,0,0|2,0,0]=4 2528 B11R1.213 C=CCCN1CC[C@](C1)(C)O dfea2e2a8d708a13c3fe17a293564e7c [1,0,0,1,0,0|2,0,0]=4 2529 B11R1.213 CC1(CCC(C1)NCC=O)C 1b5bb3caff27676f4527381212096220 [1,0,0,1,0,0|2,0,0]=4 2530 B11R1.213 CC1(CCC(O1)CNC=O)C b5005e05b5ef96fc811da7dafc5137e5 [1,0,0,1,0,0|1,0,0]=3 2531 B11R1.213 CC1(CCN(C1)CCC=O)C 9788d09a68c182b09558f6c7701a5786 [1,0,0,1,0,0|2,0,0]=4 2532 B11R1.213 CC1(CCN(C1)CCC=O)F 0a4a1b2347165ffb89820f2080989d78 [1,0,0,1,0,0|2,0,0]=4 2533 B11R1.213 CC1(CCN(C1)CCC=O)O beabc258dfb9207ed47e758ab0090179 [1,0,0,1,0,0|1,0,0]=3 2534 B11R1.213 CC1(CC[C@@H](O1)CNC=O)C 2c81d7e7a1ce9aea70acb5e73b727cce [1,0,0,1,0,0|1,0,0]=3 2535 B11R1.213 C[C@@]1(CCN(C1)CCC=O)O 7afe2177df7df985f5aead20e47560c3 [1,0,0,1,0,0|1,0,0]=3 2536 B11R1.213 C[C@]1(CCN(C1)CCC=O)O 4196229a9e0d5d7174540516f16b9248 [1,0,0,1,0,0|1,0,0]=3 2537 B11R1.238 CC(C)(Br)COC1CC1C=O e246f96bcd249771df1c01f31f70a0bb [1,0,0,1,0,0|2,0,0]=4 2538 B11R1.238 CC(C)(C)CNC1CC1C=O 234bd289ef8906b6403a2e9e496aaa28 [1,0,0,1,0,0|2,0,0]=4 2539 B11R1.238 CC(C)(C)COC1CC1C=O 71e3173d895bd2c5f6bc4c4adcb3380f [1,0,0,1,0,0|2,0,0]=4 2540 B11R1.238 CC(C)(F)COC1CC1C=O b7d74ebfdb2042566ad8b3ec58e34266 [1,0,0,1,0,0|2,0,0]=4 2541 B11R1.238 CC(C)(O)CNC1CC1C=O 9b5aedf016d0e320636ebc010b6e0a35 [1,0,0,1,0,0|1,0,0]=3 2542 B11R1.238 CC(C)(S)COC1CC1C=O 161472752a716fd12947280d3bf25111 [1,0,0,1,0,0|1,1,0]=4 2543 B11R1.320 C=CCCCNCC1(CC1)O 142df49d39e51ea7754b9d2fb3a10359 [1,0,0,1,0,0|2,0,0]=4 2544 B11R1.320 C=CCCNCCC1(CC1)O 4a442ec8e18d554e9a6189a11d8e5702 [1,0,0,1,0,0|2,0,0]=4 2545 B11R1.320 CC1(CC1)CCOCCC=O 9eab5b6dad8e0f108dc894263c99e394 [1,0,0,1,0,0|2,0,0]=4 2546 B11R1.320 CC1(CC1)COCCCC=O 1466c1a91d38084cae016af0613f099b [1,0,0,1,0,0|2,0,0]=4 2547 B11R1.320 CC1(CC1)NCCCCC=O 3e954ac2f78bb2f283ed259031ec6fee [1,0,0,1,0,0|2,0,0]=4 2548 B11R1.320 O=CCCCNCC1(CC1)F 5094e81f39779618231def3cf949f3bd [1,0,0,1,0,0|2,0,0]=4 2549 B11R1.320 O=CCCCNCC1(CC1)O 92900ade28afa367b8278f87f0e9aa0d [1,0,0,1,0,0|1,0,0]=3 2550 B11R1.320 O=CCCCOCC1(CC1)Br 5761474711f8f1334d576245c550de4e [1,0,0,1,0,0|2,0,0]=4 2551 B11R1.320 O=CCCCOCC1(CC1)Cl bf9b7d52a563de8ad853623c809dd575 [1,0,0,1,0,0|2,0,0]=4 2552 B11R1.320 O=CCCCOCC1(CC1)F fea5ed84ade700662f3c0f70ca45c622 [1,0,0,1,0,0|2,0,0]=4 2553 B11R1.320 O=CCCNCCC1(CC1)O e4815eeb9f5b6ecc3c1853d60df0fdf2 [1,0,0,1,0,0|1,0,0]=3 2554 B11R1.382 CC1(CCCCN(C1)C=O)C 415bd4a66d6033183e0e4e9017bcd4fe [1,0,0,1,0,0|2,0,0]=4 2555 B11R1.382 CC1(CCCCN(C1)C=O)O 92f38ce996a34293453d79fe34b0777e [1,0,0,1,0,0|1,0,0]=3 2556 B11R1.382 CC1(COCCN(C1)C=O)O 03e6a353fbde5079808219e6e1e0186a [1,0,0,1,0,0|2,0,0]=4 2557 B11R1.510 CC(C)(O)COC1C=CCC1 282cb227c6ffbbe93433edc5ec7dd311 [1,0,0,1,0,0|2,0,0]=4 2558 B11R1.758 C=CCCCN1CC(C1)(C)O dd914f490eab6167cfeec522fe1fc34e [1,0,0,1,0,0|2,0,0]=4 2559 B11R1.758 C=CCCNC1CC(C1)(C)O 4a401b1b076a0c23c33cb9b961ae352d [1,0,0,1,0,0|2,0,0]=4 2560 B11R1.758 C=CCCN[C@H]1C[C@@](C1)(C)O 3380f4e9583329bd12443ac189dd01e3 [1,0,0,1,0,0|2,0,0]=4 2561 B11R1.758 C=CCNCC1CC(O1)(C)C 377eb4b682bf0dd7adfe53e5b1cd9ed7 [1,0,0,1,0,0|2,0,0]=4 2562 B11R1.758 C=CCNC[C@H]1C[C@@](C1)(C)O 840d2f660c487075bc5e265830a29f87 [1,0,0,1,0,0|2,0,0]=4 2563 B11R1.758 C=CCNC[C@H]1C[C@](C1)(C)O e264bf594d6d202e9121f75005473f7e [1,0,0,1,0,0|2,0,0]=4 2564 B11R1.758 C=CCOCC1CC(O1)(C)C 0aa92d33d933def5f0d93d5acf2c1a38 [1,0,0,1,0,0|2,0,0]=4 2565 B11R1.758 CC1(CC(C1)CNCC=O)C d4fc23701424958e6451fe2f937f83d1 [1,0,0,1,0,0|2,0,0]=4 2566 B11R1.758 CC1(CC(C1)COCC=O)C 061b16bf895e8d5fd3eab504d3faccab [1,0,0,1,0,0|2,0,0]=4 2567 B11R1.758 CC1(CC(C1)NCCC=O)O 02adc3485a867dfa01cf287b072aae5c [1,0,0,1,0,0|1,0,0]=3 2568 B11R1.758 CC1(CC(C1)OCCC=O)C 6b93d7955d875e10cea9e9eeb63f8e18 [1,0,0,1,0,0|2,0,0]=4 2569 B11R1.758 CC1(CC(O1)CNCC=O)C d33657b8e21b1fb254112403d838ee22 [1,0,0,1,0,0|1,0,0]=3 2570 B11R1.758 CC1(CC(O1)COCC=O)C a3241074436c4771d746708eb8b8e428 [1,0,0,1,0,0|1,0,0]=3 2571 B11R1.758 CC1(CN(C1)CCCC=O)C fc4dece67d91a4978c7f189ac8bf86cc [1,0,0,1,0,0|2,0,0]=4 2572 B11R1.758 CC1(CN(C1)CCCC=O)O 52be8924972144bc2db3141ecb541b0c [1,0,0,1,0,0|1,0,0]=3 2573 B11R1.758 C[C@@]1(C[C@@H](C1)CNCC=O)O 5a9907200e244cc31d1ce554252f6e07 [1,0,0,1,0,0|1,0,0]=3 2574 B11R1.758 C[C@@]1(C[C@H](C1)CNCC=O)O b58ccb24e3860f4d2137be02d51bc3df [1,0,0,1,0,0|1,0,0]=3 2575 B11R1.758 C[C@@]1(C[C@H](C1)NCCC=O)O 4ac519ac54f816f0ff2a5e6695428519 [1,0,0,1,0,0|1,0,0]=3 2576 B11R1.898 CC1(CC1COCCC=O)C df39874d65500206e303950349b552a2 [1,0,0,1,0,0|2,0,0]=4 2577 B11R1.898 CC1(CC1NCCCC=O)C 29eaabc7056971fce2f8d977ba894741 [1,0,0,1,0,0|2,0,0]=4 2578 B11R1.898 CC1(CC1OCCCC=O)C 3ca667d8ff8d96365481a260b3fbda2d [1,0,0,1,0,0|2,0,0]=4 2579 B11R1.898 CC1(CN1CCCCC=O)C e67c8c77303266380e400fb9db2b64fa [1,0,0,1,0,0|2,0,0]=4 2580 B11R1.898 CC1(C[C@@H]1CNCCC=O)C 9e4fa5f3c98579721502173b45918469 [1,0,0,1,0,0|2,0,0]=4 2581 B11R1.898 CC1(C[C@@H]1COCCC=O)C 6690fff2b8282824aa92c5768bfe35ab [1,0,0,1,0,0|2,0,0]=4 2582 B11R1.898 CC1(C[C@@H]1NCCCC=O)C f63c28ca59d5a6ac63885f60df4c59ab [1,0,0,1,0,0|2,0,0]=4 2583 B11R1.898 CC1(C[C@H]1CNCCC=O)C 13e7cdc3a2eca4ed8ea117752e551a5a [1,0,0,1,0,0|2,0,0]=4 2584 B11R1.898 CC1(C[C@H]1COCCC=O)C 6289261d7762a0ea634785338f7454e4 [1,0,0,1,0,0|2,0,0]=4 2585 B11R1.898 CC1(C[C@H]1NCCCC=O)C 7839f690c83c7496130aa6488c215e0a [1,0,0,1,0,0|2,0,0]=4 2586 B11R1.45 CC(C)(O)C1CCN(C1)C=O f386f65e8cc3a47025892586310e07a9 [1,0,0,1,0,0|1,0,0]=3 2587 B11R1.45 CC(C)(O)C1CCN(C1)CF 3662a55af064a5948ffe8eeb9c21a0be [1,0,0,1,0,0|2,0,0]=4 2588 B11R1.45 CC(C)(O)C1CCN(C1)CO 97f02d5c131aa6162e060da0325ebe66 [1,0,0,1,0,0|1,0,1]=4 2589 B11R1.45 CC(C)(O)[C@@H]1CCN(C1)C=O 60deab257275f56b6bdb28ee761190f5 [1,0,0,1,0,0|1,0,0]=3 2590 B11R1.45 CC(C)(O)[C@@H]1CCN(C1)CF 1a543e06e4ec7162dd5b5b34e502f890 [1,0,0,1,0,0|2,0,0]=4 2591 B11R1.45 CC(C)(O)[C@@H]1CCN(C1)CO 4b5c0a1d78017c19109af302bcefad5c [1,0,0,1,0,0|1,0,1]=4 2592 B11R1.45 CC(C)(O)[C@H]1CCN(C1)C=O 478db972314ea9ca4051e73232a8bf05 [1,0,0,1,0,0|1,0,0]=3 2593 B11R1.45 CC(C)(O)[C@H]1CCN(C1)CF 1a1e91913601258aaf6503ea1a2a9c04 [1,0,0,1,0,0|2,0,0]=4 2594 B11R1.45 CC(C)(O)[C@H]1CCN(C1)CO 698f6bb2b8bb6b74bd244b697002d076 [1,0,0,1,0,0|1,0,1]=4 2595 B11R1.45 CCN1CCC(C1)C(C)(C)O 03e5ec8b7c309ebfd43d777188f87d23 [1,0,0,1,0,0|1,0,1]=4 2596 B11R1.45 CCN1CC[C@@H](C1)C(C)(C)O 32a5c5fdbbb1a3f6c9a6310d199ced67 [1,0,0,1,0,0|1,0,1]=4 2597 B11R1.45 CCN1CC[C@H](C1)C(C)(C)O ce81663058887067a52cf1c15ec37f1d [1,0,0,1,0,0|1,0,1]=4 2598 B11R1.76 CC1CCN(C1)CC(C)(C)O 97b848d562225fc1671bcf4e0d5ec31f [1,0,0,1,0,0|1,0,1]=4 2599 B11R1.263 CC(C)(O)CN1CC(C1)CF 9c2b73955819a613b5cf54d38def8315 [1,0,0,1,0,0|2,0,0]=4 2600 B11R1.263 CC(C)(O)CN1CC(C1)CO ce8c997ec96a27d9582dc6ef11da1c95 [1,0,0,1,0,0|1,0,1]=4 2601 B11R1.263 CCC1CN(C1)CC(C)(C)O c12b43ef675da138cf27f27b2be4327a [1,0,0,1,0,0|1,0,1]=4 2602 B11R1.522 CC(C)(O)CCNC1(CC1)C 19fd134a89c7e3bbd94f66072024e076 [1,0,0,1,0,0|1,0,1]=4 2603 B11R1.522 CC(C)(O)CNCC1(CC1)C 101209986c95ba9e3447a9e531d9caf8 [1,0,0,1,0,0|1,0,1]=4 2604 B11R1.522 CC(C)(O)COCC1(CC1)C 88dc9c7e41cb3726f7ef1d4fdaf100d9 [1,0,0,1,0,0|1,0,1]=4 2605 B11R1.858 CC(C=O)NC[C@@H]1CC1(C)C 04b9aad00647717823814d9fd6fdf1bc [1,0,0,1,0,0|2,0,0]=4 2606 B11R1.858 CC(C=O)NC[C@H]1CC1(C)C 427d08f3b97506653c488d0da16ad954 [1,0,0,1,0,0|2,0,0]=4 2607 B11R1.858 CC(C=O)OCC1CC1(C)C 26b9c0a434c259bc60b4b33a863441da [1,0,0,1,0,0|2,0,0]=4 2608 B11R1.858 CC(C=O)OC[C@@H]1CC1(C)C f9cc9adeef50ea8728d2b4e75911b680 [1,0,0,1,0,0|2,0,0]=4 2609 B11R1.858 CC(C=O)OC[C@H]1CC1(C)C 227c79ccf62d2fd9a2de31ad6e0cec62 [1,0,0,1,0,0|2,0,0]=4 2610 B11R1.858 C[C@H](C=O)NC[C@@H]1CC1(C)C c737284e170048aee4a0a733ce7924ae [1,0,0,1,0,0|2,0,0]=4 2611 B11R1.858 C[C@H](C=O)NC[C@H]1CC1(C)C 02b490707665ef74daaac5bd39ffd401 [1,0,0,1,0,0|2,0,0]=4 2612 B11R1.858 C[C@H](C=O)OCC1CC1(C)C 93bc77852a90da28ccb0bb41cb35b0d0 [1,0,0,1,0,0|2,0,0]=4 2613 B11R1.858 C[C@H](C=O)OC[C@@H]1CC1(C)C 9f06b920fd65cedefd6feab24d37bb4b [1,0,0,1,0,0|2,0,0]=4 2614 B11R1.858 C[C@H](C=O)OC[C@H]1CC1(C)C dc5f27ea3c1fbc48433ca4dc7851aaa5 [1,0,0,1,0,0|2,0,0]=4 2615 B11R1.866 C=CC(C)N1CCC(C1)(C)O 85b0bf26a2d1e10a4a89dafde08e61dd [1,0,0,1,0,0|1,0,1]=4 2616 B11R1.866 C=CC(C)N1CC[C@@](C1)(C)O 7e2bc5895a3716ed20b4c179de4995b1 [1,0,0,1,0,0|1,0,1]=4 2617 B11R1.866 C=CC(C)N1CC[C@](C1)(C)O a02a50791122ab7f5101946c6b7325ef [1,0,0,1,0,0|1,0,1]=4 2618 B11R1.866 CC(C=O)N1CCC(C1)(C)C cb49ff791167e05cffb4008389c08856 [1,0,0,1,0,0|2,0,0]=4 2619 B11R1.866 CC(C=O)N1CCC(C1)(C)F f799f9bdb6cd140091b199af17613de0 [1,0,0,1,0,0|2,0,0]=4 2620 B11R1.866 CC(C=O)N1CCC(C1)(C)O 0cc2765af99edc2e555a78a1efdd7337 [1,0,0,1,0,0|1,0,0]=3 2621 B11R1.866 CC(C=O)N1CC[C@@](C1)(C)O ed74f66e09ca75385c72c93341903694 [1,0,0,1,0,0|1,0,0]=3 2622 B11R1.866 CC(C=O)N1CC[C@](C1)(C)O 155ab73ddc65dd75b888ce2ea84bf926 [1,0,0,1,0,0|1,0,0]=3 2623 B11R1.866 CC(CO)N1CCC(C1)(C)O 803481f8c889606308e3a46070c2b688 [1,0,0,1,0,0|1,0,1]=4 2624 B11R1.866 CC(CO)N1CC[C@@](C1)(C)O d680b8bbb2fb0dfb1c8987b7d364ccbb [1,0,0,1,0,0|1,0,1]=4 2625 B11R1.866 CC(CO)N1CC[C@](C1)(C)O c2c670b664a1311855987ca1ac8f0a8d [1,0,0,1,0,0|1,0,1]=4 2626 B11R1.866 CCC(C)N1CCC(C1)(C)O b146d8afc7e76fb2eacb298a9ce3922a [1,0,0,1,0,0|1,0,1]=4 2627 B11R1.866 CCC(C)N1CC[C@@](C1)(C)O e24b0a5a5de5c3779d610425d0a98ff3 [1,0,0,1,0,0|1,0,1]=4 2628 B11R1.866 CCC(C)N1CC[C@](C1)(C)O 3cf4b4bd49a0b88fd1eccd2d89767db8 [1,0,0,1,0,0|1,0,1]=4 2629 B11R1.866 C[C@@H](CO)N1CCC(C1)(C)O 91b8fff58d2ef5a9b83f55f5bd49cfcc [1,0,0,1,0,0|1,0,1]=4 2630 B11R1.866 C[C@@H](CO)N1CC[C@@](C1)(C)O c4095d2605a04ec5eac91c776904f967 [1,0,0,1,0,0|1,0,1]=4 2631 B11R1.866 C[C@@H](CO)N1CC[C@](C1)(C)O 9d0e890dfa3f095b2016a9d997d89aa2 [1,0,0,1,0,0|1,0,1]=4 2632 B11R1.866 C[C@H](C=O)N1CCC(C1)(C)C b8bfb0fbf1e3c3148405b5f1ed957a85 [1,0,0,1,0,0|2,0,0]=4 2633 B11R1.866 C[C@H](C=O)N1CCC(C1)(C)F b1c24dee9122ccf02f340bfea382b5a4 [1,0,0,1,0,0|2,0,0]=4 2634 B11R1.866 C[C@H](C=O)N1CCC(C1)(C)O 1f928be355e262f483ef94a340ec0800 [1,0,0,1,0,0|1,0,0]=3 2635 B11R1.866 C[C@H](C=O)N1CC[C@@](C1)(C)O 03554344daec59e9aa96f23584118161 [1,0,0,1,0,0|1,0,0]=3 2636 B11R1.866 C[C@H](C=O)N1CC[C@](C1)(C)O 523ee06c5dbde683e94089a8e343b8b4 [1,0,0,1,0,0|1,0,0]=3 2637 B11R1.866 C[C@H](CO)N1CCC(C1)(C)O 1e105746144ea3062f09763c52426a31 [1,0,0,1,0,0|1,0,1]=4 2638 B11R1.866 C[C@H](CO)N1CC[C@@](C1)(C)O d7d3b6c7893a90cb79805e9522374e34 [1,0,0,1,0,0|1,0,1]=4 2639 B11R1.866 C[C@H](CO)N1CC[C@](C1)(C)O 884020025754ff841433ac739a995573 [1,0,0,1,0,0|1,0,1]=4 2640 B11R1.897 C=CC(C)NC1CC(C1)(C)O 5aa6d47e979fd800c4c7740a3d446b99 [1,0,0,1,0,0|1,0,1]=4 2641 B11R1.897 C=CC(C)N[C@H]1C[C@@](C1)(C)O 384ad8d8b5bf87aa7dca892d61e75528 [1,0,0,1,0,0|1,0,1]=4 2642 B11R1.897 CC(C=O)NC1CC(C1)(C)O abb8d9a0704eb299b1c005e1b955f01b [1,0,0,1,0,0|1,0,0]=3 2643 B11R1.897 CC(C=O)N[C@H]1C[C@@](C1)(C)O eaf9ef2808266c2ccc9a1ca15941f1b7 [1,0,0,1,0,0|1,0,0]=3 2644 B11R1.897 CC(C=O)OC1CC(C1)(C)C 5009553f5f62057145d16de033def46e [1,0,0,1,0,0|2,0,0]=4 2645 B11R1.897 CC(CO)CN1CC(C1)(C)O 3eb5a8e49b246807ccd0a5ff47eb47ba [1,0,0,1,0,0|1,0,1]=4 2646 B11R1.897 CC(CO)NC1CC(C1)(C)O d7399cdd32caa3b52eca1d3343123ce8 [1,0,0,1,0,0|1,0,1]=4 2647 B11R1.897 CC(CO)N[C@H]1C[C@@](C1)(C)O ca6a29aef601b09ca54723214f971be4 [1,0,0,1,0,0|1,0,1]=4 2648 B11R1.897 CCC(C)CN1CC(C1)(C)O 2b6f1a8f90fdaefc8a8e89a0a0b4331d [1,0,0,1,0,0|1,0,1]=4 2649 B11R1.897 CCC(C)NC1CC(C1)(C)O 75197d3b30d7c6430a44dde51a26c77c [1,0,0,1,0,0|1,0,1]=4 2650 B11R1.897 CCC(C)N[C@H]1C[C@@](C1)(C)O 051dbb2bd52622a779ceb0de64765cd6 [1,0,0,1,0,0|1,0,1]=4 2651 B11R1.897 CC[C@@H](C)CN1CC(C1)(C)O 3a7493b80617b6f1bf2b74ef5036c415 [1,0,0,1,0,0|1,0,1]=4 2652 B11R1.897 CC[C@H](C)CN1CC(C1)(C)O 1a187cdcd0cf635b27938796bec7d122 [1,0,0,1,0,0|1,0,1]=4 2653 B11R1.897 C[C@@H](CO)CN1CC(C1)(C)O c9e7fd5837d1f73d237235d2a331ca09 [1,0,0,1,0,0|1,0,1]=4 2654 B11R1.897 C[C@@H](CO)NC1CC(C1)(C)O 8260577dcbd71a79fe81ecdb69968d83 [1,0,0,1,0,0|1,0,1]=4 2655 B11R1.897 C[C@@H](CO)N[C@H]1C[C@@](C1)(C)O 6fba4ad5f544c846a44f3d74495d5b3b [1,0,0,1,0,0|1,0,1]=4 2656 B11R1.897 C[C@H](C=O)NC1CC(C1)(C)O e0c0492627ba1c8ebdf9a16602816dc6 [1,0,0,1,0,0|1,0,0]=3 2657 B11R1.897 C[C@H](C=O)N[C@H]1C[C@@](C1)(C)O df45e607a92e88b3534e3e73d690ebba [1,0,0,1,0,0|1,0,0]=3 2658 B11R1.897 C[C@H](C=O)OC1CC(C1)(C)C 479025a0e1f4a586c041982bcc6981c7 [1,0,0,1,0,0|2,0,0]=4 2659 B11R1.897 C[C@H](CO)CN1CC(C1)(C)O 3df61e09cf0d5aa25cad6ea431b5a9f3 [1,0,0,1,0,0|1,0,1]=4 2660 B11R1.897 C[C@H](CO)NC1CC(C1)(C)O b8a301015bd418fa674c95cae06decfa [1,0,0,1,0,0|1,0,1]=4 2661 B11R1.897 C[C@H](CO)N[C@H]1C[C@@](C1)(C)O 4f5981a8b9ae824c9aed28f7dfc7927e [1,0,0,1,0,0|1,0,1]=4 2662 B11R1.950 CC1(CCCN(CC1)C=O)C 5dcc4fcb12dbdb3243b253713c1887f6 [1,0,0,1,0,0|2,0,0]=4 2663 B11R1.950 CC1(CCCN(CC1)C=O)O 180ca2eda4df1d3b217db05b1b0c369f [1,0,0,1,0,0|1,0,0]=3 2664 B11R1.950 CC1(CCCN(CC1)CF)O 7c5e94a6b01b58af4df97a69f4a868cb [1,0,0,1,0,0|2,0,0]=4 2665 B11R1.950 CC1(CCCN(CC1)CO)O b1ed4ccf07b8ea2035335efb51e66191 [1,0,0,1,0,0|1,0,1]=4 2666 B11R1.950 CCN1CCCC(CC1)(C)O 62c1395cb6565dcdb722b9bb6975d9e9 [1,0,0,1,0,0|1,0,1]=4 2667 B11R1.1029 C=CC(C)NCCC1(CC1)O 162b383da12ee91f26b3c75d09290127 [1,0,0,1,0,0|1,0,1]=4 2668 B11R1.1029 CC(C=O)NCCC1(CC1)O 4f7b1205515b6193b5fc968d5025115a [1,0,0,1,0,0|1,0,0]=3 2669 B11R1.1029 CC(C=O)OCCC1(CC1)C 9c6f8e5bc8adcb57152b992fde0f982e [1,0,0,1,0,0|2,0,0]=4 2670 B11R1.1029 CC(CO)CNCC1(CC1)O 0200a05d5390e34e59a2d70b97b8c31c [1,0,0,1,0,0|1,0,1]=4 2671 B11R1.1029 CC(CO)NCCC1(CC1)O 35e09ca8fd9e9b53949383af1290761b [1,0,0,1,0,0|1,0,1]=4 2672 B11R1.1029 CCC(C)CNCC1(CC1)O 6a155f17d2f28ec4108697145799de75 [1,0,0,1,0,0|1,0,1]=4 2673 B11R1.1029 CCC(C)NCCC1(CC1)O 68c5a73eeacaffbdfa1d36dbdacc6e4a [1,0,0,1,0,0|1,0,1]=4 2674 B11R1.1029 CC[C@@H](C)CNCC1(CC1)O af36249430da095a805dc0981d6d7e9c [1,0,0,1,0,0|1,0,1]=4 2675 B11R1.1029 CC[C@H](C)CNCC1(CC1)O ef289943c4fcf7b44d7221f7b89913cc [1,0,0,1,0,0|1,0,1]=4 2676 B11R1.1029 C[C@@H](CO)CNCC1(CC1)O d848e6bd2898d254ef2b44954c40b57d [1,0,0,1,0,0|1,0,1]=4 2677 B11R1.1029 C[C@@H](CO)NCCC1(CC1)O 59266de6b60ef82468855c1c01fd9eb1 [1,0,0,1,0,0|1,0,1]=4 2678 B11R1.1029 C[C@H](C=O)NCCC1(CC1)O 9015c625b222f3a8d86ff84c0ab19e1b [1,0,0,1,0,0|1,0,0]=3 2679 B11R1.1029 C[C@H](C=O)OCCC1(CC1)C ff562cac42ee4dfb15972f5e5c67f643 [1,0,0,1,0,0|2,0,0]=4 2680 B11R1.1029 C[C@H](CO)CNCC1(CC1)O 47c462fbec621bfbf9ecbca212b6624e [1,0,0,1,0,0|1,0,1]=4 2681 B11R1.1029 C[C@H](CO)NCCC1(CC1)O 8c0113e7e51332b1b5a35dd20f8e5f99 [1,0,0,1,0,0|1,0,1]=4 2682 B11R1.82 C=CCN1CCC(CC1)(C)O 32505b357a6ec6c75018427a540ef8e7 [0,0,0,1,1,0|2,0,0]=4 2683 B11R1.82 CC1(CCC(CC1)NC=O)C 0dfdb9530d26622dd09e8bc3c927ba9d [0,0,0,1,1,0|2,0,0]=4 2684 B11R1.82 CC1(CCC(CC1)NC=O)O a6de811cb61b1381d0ff4359d8b17461 [0,0,0,1,1,0|1,0,0]=3 2685 B11R1.82 CC1(CCC(CO1)NC=O)C 3fbf83ef08a46f9f14617b26045c52ea [0,0,0,1,1,0|1,0,0]=3 2686 B11R1.82 CC1(CCN(CC1)CC=O)C 5b4b99744366486dc4f0c5499c635ac4 [0,0,0,1,1,0|2,0,0]=4 2687 B11R1.82 CC1(CCN(CC1)CC=O)O 0e9e75b6e496b3702e2f55c26988dea8 [0,0,0,1,1,0|1,0,0]=3 2688 B11R1.82 C[C@@]1(CC[C@@H](CC1)NC=O)O 9e116c89ac45c4ee0ee1ba6b14ee3b01 [0,0,0,1,1,0|1,0,0]=3 2689 B11R1.82 C[C@@]1(CC[C@H](CC1)NC=O)O 45d61310f663646eeec112a8fe6f1e83 [0,0,0,1,1,0|1,0,0]=3 2690 B11R1.122 C=CCN1CC(C1)C(C)(C)O 980255a7c739a18507068d0236dcdc91 [0,0,0,1,1,0|2,0,0]=4 2691 B11R1.122 CC(C)(O)C1CN(C1)CC=O 137a16db0c5676b504587084719b7a33 [0,0,0,1,1,0|1,0,0]=3 2692 B11R1.577 CC(C)(C)CNC1CC(=O)C1 9c04faccbf4776d2443a9d1ba67857eb [0,0,0,1,1,0|2,0,0]=4 2693 B11R1.577 CC(C)(C)COC1CC(=O)C1 0e5faff47b13b0cb4821309bb70ae532 [0,0,0,1,1,0|2,0,0]=4 2694 B11R1.577 CC(C)(C)NCC1CC(=O)C1 18d912391965960c82a29ff5b77e4aa2 [0,0,0,1,1,0|2,0,0]=4 2695 B11R1.577 CC(C)(F)COC1CC(=O)C1 61248934594e1cd933da8e44a57837bf [0,0,0,1,1,0|2,0,0]=4 2696 B11R1.577 CC(C)(O)CNC1CC(=O)C1 5c3524e475d3c0347433c688addaf8a5 [0,0,0,1,1,0|1,0,0]=3 2697 B11R1.577 CC(C)(O)COC1CC(=O)C1 8beb4cdc0ba293dae9f1832200bf607b [0,0,0,1,1,0|1,0,0]=3 2698 B13R1.195 CC1CCCC1COCC(C)(C)O 8b1b6f94a3037e66384ec4830c253a15 [0,0,0,1,0,1|1,0,1]=4 2699 B13R1.195 CC1CCCC1OCCC(C)(C)O 5d5048c3f5c2c8e8173901ac48f1f4d7 [0,0,0,1,0,1|1,0,1]=4 2700 B13R1.195 CC1CCCN1CCCC(C)(C)O 48d7eb45d39ba09385a4de545dc72773 [0,0,0,1,0,1|1,0,1]=4 2701 B13R1.195 CC1CCOC1COCC(C)(C)O 7c2dbaedffb9410dacfe72e8cb6fa6a1 [0,0,0,1,0,1|0,0,2]=4 2702 B13R1.195 CC1COCC1CNCC(C)(C)O 144d2927b4f4049b42975dd5cf96236f [0,0,0,1,0,1|2,0,0]=4 2703 B13R1.195 CC1COCC1COCC(C)(C)O ea3b25a44c32f3c6fcf86a03fea6e030 [0,0,0,1,0,1|2,0,0]=4 2704 B13R1.195 CC1COCC1OCCC(C)(C)O 88147fada173b7ddf7029fb69aa9372f [0,0,0,1,0,1|2,0,0]=4 2705 B13R1.195 C[C@@H]1CCCN1CCCC(C)(C)O 3f2a46da46d0e96b5167a2046e61288d [0,0,0,1,0,1|1,0,1]=4 2706 B13R1.195 C[C@@H]1CCC[C@@H]1OCCC(C)(C)O cbb81ace7e2565bccefbb22e2af03490 [0,0,0,1,0,1|1,0,1]=4 2707 B13R1.195 C[C@@H]1CCC[C@H]1OCCC(C)(C)O 560326f4cc860eb14482b38d24237bb9 [0,0,0,1,0,1|1,0,1]=4 2708 B13R1.195 C[C@@H]1COC[C@@H]1OCCC(C)(C)O a4caaa8302f010c792cae1a0daa7b42b [0,0,0,1,0,1|2,0,0]=4 2709 B13R1.195 C[C@H]1CCCN1CCCC(C)(C)O 4cd431bdd6cf5513259b712be632391a [0,0,0,1,0,1|1,0,1]=4 2710 B13R1.195 C[C@H]1CCC[C@@H]1OCCC(C)(C)O 049309ba07ab222d434cff388cce2e8f [0,0,0,1,0,1|1,0,1]=4 2711 B13R1.195 C[C@H]1CCC[C@H]1OCCC(C)(C)O 90ca551d54f0aab0bd823ff8604a776b [0,0,0,1,0,1|1,0,1]=4 2712 B13R1.195 C[C@H]1COC[C@@H]1OCCC(C)(C)O 9c9d8025d17d2f889f2b4bea2d4045e5 [0,0,0,1,0,1|2,0,0]=4 2713 B13R1.195 C[C@H]1COC[C@H]1OCCC(C)(C)O 55aa0a2e8212a3431e8fc99f44888c81 [0,0,0,1,0,1|2,0,0]=4 2714 B13R1.210 COC[C@@H]1C[C@@H]1NCCC(C)(C)O a19027db85060f79f60563bf1d2dca2f [0,0,0,1,0,1|2,0,0]=4 2715 B13R1.210 COC[C@H]1C[C@@H]1NCCC(C)(C)O 0e6b7c91d72e83abf4ba922fd799ef96 [0,0,0,1,0,1|2,0,0]=4 2716 B13R1.359 CC(C)(C)CN1CC[C@@H](C1)NC=O 9a8d28c9ad3759f2faa10cb06ce3f157 [0,0,0,1,0,1|2,0,0]=4 2717 B13R1.359 CC(C)(O)CN1CCC(C1)CC#N 8499bbc6edc166acb28fe9b8e92bf678 [0,0,0,1,0,1|1,0,1]=4 2718 B13R1.359 CC(C)(O)CN1CCC(C1)CCO ec2c1e271c9d22c4a0b5c6c96e0f2d68 [0,0,0,1,0,1|0,0,2]=4 2719 B13R1.359 CC(C)(O)CN1CC[C@@H](C1)CC#N be9638e3b3ae3b5a247900fea26b23e0 [0,0,0,1,0,1|1,0,1]=4 2720 B13R1.359 CC(C)(O)CN1CC[C@H](C1)CC#N 6580e61f84740d353b5597a30ecf2a3c [0,0,0,1,0,1|1,0,1]=4 2721 B13R1.359 CCCC1CCN(C1)CC(C)(C)O c3e9acb3c2136b11bffdd805394c97df [0,0,0,1,0,1|1,0,1]=4 2722 B13R1.359 COCC1CCN(C1)CC(C)(C)O 6a1cdcf13395bb4a1fbc0ff19899849b [0,0,0,1,0,1|2,0,0]=4 2723 B13R1.359 COC[C@@H]1CCN(C1)CC(C)(C)O 39fee7d90eb780080d4292199056a68a [0,0,0,1,0,1|2,0,0]=4 2724 B13R1.359 COC[C@H]1CCN(C1)CC(C)(C)O 9f54b8a79c546f2f3da254f8e9859582 [0,0,0,1,0,1|2,0,0]=4 2725 B13R1.375 C=CCN1CCCC(C1)C(C)(C)O 3c2435c74629a41af421d184c3519c2c [0,0,0,1,0,1|2,0,0]=4 2726 B13R1.375 C=CCN1CCO[C@H](C1)C(C)(C)O 373a8db8239d2aa99a46f85c29af3113 [0,0,0,1,0,1|2,0,0]=4 2727 B13R1.375 CC(C)(O)C1CCCN(C1)CC=O 8789601653e0ce47a13adc97f8cfb092 [0,0,0,1,0,1|1,0,0]=3 2728 B13R1.375 CC(C)(O)[C@H]1CN(CCO1)CC=O ad1520348f4b3fdfd7c6cf8a17da1d91 [0,0,0,1,0,1|1,0,0]=3 2729 B13R1.625 C#C[C@H]1C[C@H]1COCCC(C)(C)O b42222c83157bc923849b3090185ac82 [0,0,0,1,0,1|1,0,1]=4 2730 B13R1.625 CC(C)(C)CCCNC1CC1C=O 1c637729b536195cd2d2047b4e5fdb38 [0,0,0,1,0,1|1,0,0]=3 2731 B13R1.625 CC(C)(C)CCCOC1CC1C=O 403397fbccc05c37e98086688328e09f [0,0,0,1,0,1|1,0,0]=3 2732 B13R1.625 CC(C)(C)OCCNC1CC1C=O 8a3152b77da7962875d6550b2f986968 [0,0,0,1,0,1|2,0,0]=4 2733 B13R1.625 CC(C)(C)OCCOC1CC1C=O 289ffb1f90ed3e3d0c312d79b8c603a3 [0,0,0,1,0,1|2,0,0]=4 2734 B13R1.625 CC(C)(C)SCCNC1CC1C=O bc81eb12260ac6a6c3cea7d5c532c9d5 [0,0,0,1,0,1|2,0,0]=4 2735 B13R1.625 CC(C)(C)SCCOC1CC1C=O e977626b2a8faf599bd4f8c764452df4 [0,0,0,1,0,1|2,0,0]=4 2736 B13R1.625 CC(C)(O)CCCNC1CC1C=O c86cea46d5975dba259578a9faac5382 [0,0,0,1,0,1|0,0,0]=2 2737 B13R1.625 CC(C)(O)CCCN[C@@H]1C[C@H]1CO b444bc585231b9e4ac88ab98459db2f4 [0,0,0,1,0,1|0,0,2]=4 2738 B13R1.625 CC(C)(O)CCCN[C@H]1C[C@@H]1CO 342dfd2d16653c2f2439fa304d6923cb [0,0,0,1,0,1|0,0,2]=4 2739 B13R1.625 CC(C)(O)CCCN[C@H]1C[C@H]1CO 5ad053a5c9e53370526a38a2dd44f444 [0,0,0,1,0,1|0,0,2]=4 2740 B13R1.625 CC(C)(O)CCNCC1CC1CO d36ebed5eea8de6f5c93c8354ecd3cba [0,0,0,1,0,1|0,0,2]=4 2741 B13R1.625 CC(C)(O)CCOCC1CC1C#N 30cf386283affbb30ffaba54e500290f [0,0,0,1,0,1|1,0,1]=4 2742 B13R1.625 CO[C@H]1C[C@H]1NCCCC(C)(C)O a26b21e9ee8955b1dc8c467e4f40306b [0,0,0,1,0,1|2,0,0]=4 2743 B13R1.838 CC1CCCC(C1)NCC(C)(C)O feded2172521f461acf12b04d9ef5cd1 [0,0,0,1,0,1|1,0,1]=4 2744 B13R1.838 CC1CCCC(C1)OCC(C)(C)O 5df34487fa56356392c2f36e8ab9a136 [0,0,0,1,0,1|1,0,1]=4 2745 B13R1.838 CC1CCCN(C1)CCC(C)(C)O 6ccb2e3f081b0cb83bf2766434547174 [0,0,0,1,0,1|1,0,1]=4 2746 B13R1.838 C[C@@H]1CCCN(C1)CCC(C)(C)O 7313eff860cab4cbb5dcc17a797cfca7 [0,0,0,1,0,1|1,0,1]=4 2747 B13R1.838 C[C@@H]1CCC[C@@H](C1)OCC(C)(C)O 229f8a8397570be2d2a3d2d0f9062b54 [0,0,0,1,0,1|1,0,1]=4 2748 B13R1.838 C[C@@H]1CCC[C@H](C1)NCC(C)(C)O 6976bde7042af7c74dd84daa54a0c1e8 [0,0,0,1,0,1|1,0,1]=4 2749 B13R1.838 C[C@H]1CCCN(C1)CCC(C)(C)O a76880a0db288b0df0fe5dad0dfaad38 [0,0,0,1,0,1|1,0,1]=4 2750 B13R1.838 C[C@H]1CCC[C@@H](C1)OCC(C)(C)O 1bdea4152790403d127e21ff4fd179fb [0,0,0,1,0,1|1,0,1]=4 2751 B13R1.838 C[C@H]1CCC[C@H](C1)OCC(C)(C)O 445632a09ae060caa3b38ddaef6d4d51 [0,0,0,1,0,1|1,0,1]=4 2752 B13R1.883 CC1CCN(C(C1)C)CC(C)(C)O 91bd00799c46b6595f553b0cc9fab6ad [0,0,0,1,0,1|1,0,1]=4 2753 B13R1.883 C[C@@H]1CCN([C@@H](C1)C)CC(C)(C)O 0f6ffec9ac4ddb59d40f7cc4518b38b6 [0,0,0,1,0,1|1,0,1]=4 2754 B13R1.883 C[C@H]1CCN([C@H](C1)C)CC(C)(C)O a7ec13c8e2f581f97e232420a2743585 [0,0,0,1,0,1|1,0,1]=4 2755 B13R1.1479 C=CCC(C)CN1CCC(C1)(C)C 19afe8171afd07ff29490be7b015db4f [0,0,0,1,0,1|2,0,0]=4 2756 B13R1.1479 C=CCC(C)CN1CCC(C1)(C)F eeb24a37aab05f3baeae04331f961c1a [0,0,0,1,0,1|2,0,0]=4 2757 B13R1.1479 C=CCC(C)CN1CCC(C1)(C)O 83a8f021c37ca9a3a48d994875f05231 [0,0,0,1,0,1|1,0,0]=3 2758 B13R1.1479 C=CCC(C)CN1CC[C@@](C1)(C)O 1cee9ea27d1b650768fefe0dfa1c8591 [0,0,0,1,0,1|1,0,0]=3 2759 B13R1.1479 C=CCC(C)CN1CC[C@](C1)(C)O c3eb45c2d50e0c5d14a67a5db6c94576 [0,0,0,1,0,1|1,0,0]=3 2760 B13R1.1479 C=CCC(C)OC1CCC(C1)(C)C 03fb416927b72326cdc91ae321583dd9 [0,0,0,1,0,1|2,0,0]=4 2761 B13R1.1479 C=CC[C@@H](C)OC1CCC(C1)(C)C 5dbaa9c4aa8d48ea1fc8a458a365920d [0,0,0,1,0,1|2,0,0]=4 2762 B13R1.1479 C=CC[C@H](C)OC1CCC(C1)(C)C 7dabb7e218c2916198db7994260f170f [0,0,0,1,0,1|2,0,0]=4 2763 B13R1.1479 CCCC(C)CN1CCC(C1)(C)O a4ee989a360571b77da8cdf27c3c4368 [0,0,0,1,0,1|1,0,1]=4 2764 B13R1.1479 CCCC(C)CN1CC[C@@](C1)(C)O 0ee8ac2077e22be4a3a247f21be6ba91 [0,0,0,1,0,1|1,0,1]=4 2765 B13R1.1479 CCCC(C)CN1CC[C@](C1)(C)O 30555a03e1b9f0bba78ebdfdbb829473 [0,0,0,1,0,1|1,0,1]=4 2766 B13R1.1485 C=CCC(C)CNC1CC(C1)(C)O ece56568c69d7636ceb712fae4d7cc5a [0,0,0,1,0,1|1,0,0]=3 2767 B13R1.1485 C=CCC(C)CN[C@H]1C[C@@](C1)(C)O f470fcfef3c80277fcb4d798f28a333e [0,0,0,1,0,1|1,0,0]=3 2768 B13R1.1485 C=CCC(C)COC1CC(C1)(C)C 918a67885df313c8247105e20a05102d [0,0,0,1,0,1|2,0,0]=4 2769 B13R1.1485 C=CCC(C)OCC1CC(C1)(C)C 8d45e3e403c77a449deda6c4c2735caf [0,0,0,1,0,1|2,0,0]=4 2770 B13R1.1485 C=CC[C@@H](C)OCC1CC(C1)(C)C a8c1bf9be547f675030e89832f845453 [0,0,0,1,0,1|2,0,0]=4 2771 B13R1.1485 C=CC[C@H](C)OCC1CC(C1)(C)C aa9d24c77c7f281e4543e2b62757182a [0,0,0,1,0,1|2,0,0]=4 2772 B13R1.1485 CC(CC#N)NCC1CC(O1)(C)C c2a5d8a8ffa12c2cb64385d52ff035cb [0,0,0,1,0,1|1,0,1]=4 2773 B13R1.1485 CC(CC#N)NC[C@H]1C[C@@](C1)(C)O 2d30c1ea43bbc828d4ab4d0506aea2fa [0,0,0,1,0,1|1,0,1]=4 2774 B13R1.1485 CC(CC#N)NC[C@H]1C[C@](C1)(C)O b687ba696f60aac2605bed6c755e0f87 [0,0,0,1,0,1|1,0,1]=4 2775 B13R1.1485 CC(CC#N)OCC1CC(O1)(C)C e22ad54b90d4b8833048db4d4b9672e0 [0,0,0,1,0,1|1,0,1]=4 2776 B13R1.1485 CC(CCO)NCC1CC(O1)(C)C 3d1e4ed2da1140d8de00317dcc32d0e9 [0,0,0,1,0,1|0,0,2]=4 2777 B13R1.1485 CC(CCO)NC[C@H]1C[C@@](C1)(C)O 8b81c5a0a47c68d5e6497ba244582968 [0,0,0,1,0,1|0,0,2]=4 2778 B13R1.1485 CC(CCO)NC[C@H]1C[C@](C1)(C)O d7133eda9fb6f3be43fc5e3ec1a1efb1 [0,0,0,1,0,1|0,0,2]=4 2779 B13R1.1485 CC1(CC(O1)CNC(=O)CC=O)C 804e319e92bde46c509d8b9546300416 [0,0,0,1,0,1|1,0,1]=4 2780 B13R1.1485 CCCC(C)CNC1CC(C1)(C)O 08de8b48d84247c99d50307e1ce66b0e [0,0,0,1,0,1|1,0,1]=4 2781 B13R1.1485 CCCC(C)CN[C@H]1C[C@@](C1)(C)O 2cc38568f0326603f0580052977f3e03 [0,0,0,1,0,1|1,0,1]=4 2782 B13R1.1485 CCCC(C)NCC1CC(O1)(C)C 2ace22a62b2029ef712c2c2e2d939687 [0,0,0,1,0,1|1,0,1]=4 2783 B13R1.1485 CCCC(C)NC[C@H]1C[C@@](C1)(C)O 4a1961ebcf85b56bb82a0291867fd0ae [0,0,0,1,0,1|1,0,1]=4 2784 B13R1.1485 CCCC(C)NC[C@H]1C[C@](C1)(C)O 8b46eb86ec3f51fe5ef246577c1fcf8b [0,0,0,1,0,1|1,0,1]=4 2785 B13R1.1485 CCCC(C)OCC1CC(O1)(C)C 9d77db52e6c74d311db128d90389dffc [0,0,0,1,0,1|1,0,1]=4 2786 B13R1.1485 COCC(C)NCC1CC(O1)(C)C 17c653e94002bd76d068af355ba543d9 [0,0,0,1,0,1|2,0,0]=4 2787 B13R1.1485 COCC(C)NC[C@H]1C[C@@](C1)(C)O 92fde9419d0f79780aa94f73c9d9a4d4 [0,0,0,1,0,1|2,0,0]=4 2788 B13R1.1485 COCC(C)NC[C@H]1C[C@](C1)(C)O 911b576f7ae63eefb36a8ba45ba34886 [0,0,0,1,0,1|2,0,0]=4 2789 B13R1.1485 COCC(C)OCC1CC(O1)(C)C 3660d3f9e4c68adb0d138f6dbccdf0b4 [0,0,0,1,0,1|2,0,0]=4 2790 B13R1.1485 C[C@@]1(C[C@@H](C1)CNC(=O)CC=O)O e1326a0d403ae1c62b32a53fc4473321 [0,0,0,1,0,1|1,0,1]=4 2791 B13R1.1485 C[C@@]1(C[C@H](C1)CNC(=O)CC=O)O 88dafbf5bdad347746c2ba5949d62534 [0,0,0,1,0,1|1,0,1]=4 2792 B13R1.1493 C=CCC(C)CNCCC1(CC1)O 4f002fce411ee2cec4450a6fac67627f [0,0,0,1,0,1|1,0,0]=3 2793 B13R1.1493 C=CCC(C)COCCC1(CC1)C 72176be5e4cc2e1d6b8550539a37bd23 [0,0,0,1,0,1|2,0,0]=4 2794 B13R1.1493 CCCC(C)CNCCC1(CC1)O 4043f94ad4a28a59968a023678e35dc6 [0,0,0,1,0,1|1,0,1]=4 2795 B13R1.1517 CC(CC#N)N1CCCC(C1)(C)O 8055af8df9c784b9bff2ecd283cb604f [0,0,0,1,0,1|1,0,1]=4 2796 B13R1.1517 CC(CC#N)N1CCC[C@@](C1)(C)O 5991fc1fe599f6f78b52e36b716deab1 [0,0,0,1,0,1|1,0,1]=4 2797 B13R1.1517 CC(CC#N)N1CCC[C@](C1)(C)O eb25b0c1305b3e71db982f0266767378 [0,0,0,1,0,1|1,0,1]=4 2798 B13R1.1517 CC(CCO)N1CCCC(C1)(C)O 54a636aec90839de543f4fd192a82f9c [0,0,0,1,0,1|0,0,2]=4 2799 B13R1.1517 CC(CCO)N1CCC[C@@](C1)(C)O d11787db892739051215c564a1e31c7c [0,0,0,1,0,1|0,0,2]=4 2800 B13R1.1517 CC(CCO)N1CCC[C@](C1)(C)O 6f58fba65da656de34f2bab87b2c509b [0,0,0,1,0,1|0,0,2]=4 2801 B13R1.1517 CC1(CCCN(C1)C(=O)CC=O)O b44106a704c68347be49d41534cdcf16 [0,0,0,1,0,1|1,0,1]=4 2802 B13R1.1517 CCCC(C)N1CCCC(C1)(C)O 569330b5125b1c607876cb484e23f51f [0,0,0,1,0,1|1,0,1]=4 2803 B13R1.1517 CCCC(C)N1CCC[C@@](C1)(C)O a31ce817638d19876e34e7424f8a4a38 [0,0,0,1,0,1|1,0,1]=4 2804 B13R1.1517 CCCC(C)N1CCC[C@](C1)(C)O c0fbac0076adb22a526b2b515c2818b7 [0,0,0,1,0,1|1,0,1]=4 2805 B13R1.1517 CN(CC=O)C1CCOC(C1)(C)C b0b15da4b73337b3f41e1dcfb8ad9031 [0,0,0,1,0,1|2,0,0]=4 2806 B13R1.1517 COCC(C)N1CCCC(C1)(C)O 0c0984f4f38f66d8500e763e32ef2061 [0,0,0,1,0,1|2,0,0]=4 2807 B13R1.1517 COCC(C)N1CCC[C@@](C1)(C)O 7af901aac7a87b85ff037adf46194a38 [0,0,0,1,0,1|2,0,0]=4 2808 B13R1.1517 COCC(C)N1CCC[C@](C1)(C)O 6e6f9a595c4a809663f9115df21367c0 [0,0,0,1,0,1|2,0,0]=4 2809 B13R1.1517 C[C@@]1(CCCN(C1)C(=O)CC=O)O 45c456886696c03f427673f4660df5c2 [0,0,0,1,0,1|1,0,1]=4 2810 B13R1.1517 C[C@]1(CCCN(C1)C(=O)CC=O)O a215124b666b4f9b70be9dc34f7b33e1 [0,0,0,1,0,1|1,0,1]=4 2811 B13R1.2553 C=CCC(C)CNC[C@@H]1CC1(C)C 24a20efaeca2854c60cb21c0014a0f46 [0,0,0,1,0,1|2,0,0]=4 2812 B13R1.2553 C=CCC(C)CNC[C@H]1CC1(C)C 7bac511f7305aa0102d52b08957dab6a [0,0,0,1,0,1|2,0,0]=4 2813 B13R1.2553 C=CCC(C)COCC1CC1(C)C d89a299680e1ffb34568fadba0cb46cb [0,0,0,1,0,1|2,0,0]=4 2814 B13R1.2553 C=CCC(C)COC[C@@H]1CC1(C)C fe5a3cc6d0eacf1d4778e5aaf763ded4 [0,0,0,1,0,1|2,0,0]=4 2815 B13R1.2553 C=CCC(C)COC[C@H]1CC1(C)C 92798eda579190e2761b05ed625c4c93 [0,0,0,1,0,1|2,0,0]=4 2816 B13R1.2904 CC(C)(C)CCNCC1CC=CC1 789168f2c1a0c52df9ea25e62650b014 [0,0,0,1,0,1|2,0,0]=4 2817 B13R1.2904 CC(C)(C)CCOCC1CC=CC1 5bd275a69d76af368bc3ae068dd00520 [0,0,0,1,0,1|2,0,0]=4 2818 B13R1.2904 CC(C)(O)CCCNC1CC=CC1 ac0b4dc668d27dfe25b0fdc7fa37cb51 [0,0,0,1,0,1|1,0,0]=3 2819 B13R1.2904 CC(C)(O)CCCNC1CCCC1 6fef8334b6dfc09e8782c904fd117d50 [0,0,0,1,0,1|1,0,1]=4 2820 B13R1.2904 CC(C)(O)CCCNC1CCOC1 83d3ca72277baab7019cc358d6df423b [0,0,0,1,0,1|0,0,2]=4 2821 B13R1.2904 CC(C)(O)CCCNC1CCSC1 d3394793a62ef485e215764469c141c2 [0,0,0,1,0,1|0,1,1]=4 2822 B13R1.2904 CC(C)(O)CCCN[C@@H]1CCOC1 92d70036209d75ab16dd49198c70f5e7 [0,0,0,1,0,1|0,0,2]=4 2823 B13R1.2904 CC(C)(O)CCCN[C@H]1CCOC1 f2407b39c9a2eb59f145bb203b591073 [0,0,0,1,0,1|0,0,2]=4 2824 B13R1.2904 CC(C)(O)CCCOC1C=CCC1 cb1badd1151802417a9f3e250fff18ed [0,0,0,1,0,1|1,0,1]=4 2825 B13R1.2904 CC(C)(O)CCCOC1CC=CC1 27c61cbd83ca8261b30f3076c7a6701b [0,0,0,1,0,1|1,0,0]=3 2826 B13R1.2904 CC(C)(O)CCCOC1CCCC1 bd396b4d4e22d72f8c9f8f7c17fd04ee [0,0,0,1,0,1|1,0,1]=4 2827 B13R1.2904 CC(C)(O)CCCOC1CCOC1 332f5eed2263a98e76037f6ba12dce45 [0,0,0,1,0,1|0,0,2]=4 2828 B13R1.2904 CC(C)(O)CCCOC1CCSC1 51b546b3299700fd7ddf8ac78467b4a9 [0,0,0,1,0,1|0,1,1]=4 2829 B13R1.2904 CC(C)(O)CCCO[C@@H]1CCOC1 d5ffc2307ca867c061a2f2009c249b1b [0,0,0,1,0,1|0,0,2]=4 2830 B13R1.2904 CC(C)(O)CCCO[C@@H]1CCSC1 0c1ea713ff4599832e26512b44d42be9 [0,0,0,1,0,1|0,1,1]=4 2831 B13R1.2904 CC(C)(O)CCCO[C@H]1CCOC1 676cde4439b14552b537034220a64963 [0,0,0,1,0,1|0,0,2]=4 2832 B13R1.2904 CC(C)(O)CCCO[C@H]1CCSC1 cd51d539b8784afc4ea693103603184a [0,0,0,1,0,1|0,1,1]=4 2833 B13R1.2904 CC(C)(O)CCNCC1CC=CC1 7b9ba8672f3b23610a9c2579cc9d1653 [0,0,0,1,0,1|1,0,0]=3 2834 B13R1.2904 CC(C)(O)CCNCC1CCCC1 0fe65d98e115e71e19f52f75a0ee93d0 [0,0,0,1,0,1|1,0,1]=4 2835 B13R1.2904 CC(C)(O)CCNCC1CCOC1 a3fe52e1b05ed0dafb1314527a0b9975 [0,0,0,1,0,1|0,0,2]=4 2836 B13R1.2904 CC(C)(O)CCNC[C@@H]1CCOC1 45c40090c50c2231e509dd0b44541e6f [0,0,0,1,0,1|0,0,2]=4 2837 B13R1.2904 CC(C)(O)CCNC[C@H]1CCOC1 e85a04efcab9aa4e1637c1ea779fb2bd [0,0,0,1,0,1|0,0,2]=4 2838 B13R1.2904 CC(C)(O)CCOCC1C=CCC1 d69f6490dbc048e525837552217f9d50 [0,0,0,1,0,1|1,0,1]=4 2839 B13R1.2904 CC(C)(O)CCOCC1CC=CC1 b06f9cc8053b3c5478b6a7687f4577a9 [0,0,0,1,0,1|1,0,0]=3 2840 B13R1.2904 CC(C)(O)CCOCC1CCCC1 36126f1187f6fb056d70e89d5211611e [0,0,0,1,0,1|1,0,1]=4 2841 B13R1.2904 CC(C)(O)CCOCC1CCOC1 13b82648d12e51f31afbb65efa18ac17 [0,0,0,1,0,1|0,0,2]=4 2842 B13R1.2904 CC(C)(O)CCOC[C@@H]1CCOC1 6ff3babe6ce3499aa3240d0986b345a2 [0,0,0,1,0,1|0,0,2]=4 2843 B13R1.2904 CC(C)(O)CCOC[C@H]1CCOC1 f1d84e8f08244ea67a6ca9698610be9f [0,0,0,1,0,1|0,0,2]=4 2844 B13R1.2904 CC(C)(O)CNCCC1CCCC1 e02438c4e53b6096b240bcbf7a173cef [0,0,0,1,0,1|1,0,1]=4 2845 B13R1.2904 CC(C)(O)CNCCC1CCOC1 86fac94bf308de5f34b6153fe917d2af [0,0,0,1,0,1|0,0,2]=4 2846 B13R1.2904 CC(C)(O)COCCC1CCCC1 ddc756b35de1912120e51155cb97e13c [0,0,0,1,0,1|1,0,1]=4 2847 B13R1.2904 CC(C)(O)COCCC1CCOC1 d7fc629fa32ece2734fb26c5fd1b939f [0,0,0,1,0,1|0,0,2]=4 2848 B13R1.2904 CC(C)(S)CCOCC1CC=CC1 e005044d217e6ca58534c739bbc72b0f [0,0,0,1,0,1|1,1,0]=4 2849 B13R1.3486 CC1CC(C(=O)O1)NCC(C)(C)C a1dbf02b2b6c010e8de613e379de1284 [0,0,0,1,0,1|2,0,0]=4 2850 B13R1.3486 CC1CC(C(=O)O1)NCC(C)(C)O 7a70697abb40c2a1d311398d829f5745 [0,0,0,1,0,1|1,0,0]=3 2851 B13R1.3486 CC1CC(C(=O)O1)OCC(C)(C)Br cd549e69e94c98ee521856123d5c5ad1 [0,0,0,1,0,1|2,0,0]=4 2852 B13R1.3486 CC1CC(C(=O)O1)OCC(C)(C)C 49ee44ccd30ae6aeb94364933669f80f [0,0,0,1,0,1|2,0,0]=4 2853 B13R1.3486 CC1CC(C(=O)O1)OCC(C)(C)F 973c130e913e6fde36f5d48b92f77d25 [0,0,0,1,0,1|2,0,0]=4 2854 B13R1.3486 CC1CC(C(=O)O1)OCC(C)(C)S 8e1f81445f7b85feed1b908fe3ebf745 [0,0,0,1,0,1|1,1,0]=4 2855 B13R1.3486 C[C@H]1C[C@H](C(=O)N1)OCC(C)(C)C ab94b2dc44a490e9a999ba4f4133ff1e [0,0,0,1,0,1|2,0,0]=4 2856 B13R1.3486 C[C@H]1C[C@H](C(=O)N1)OCC(C)(C)F ebfacc7c4fa8fe99b896ddca3699520c [0,0,0,1,0,1|2,0,0]=4 2857 B13R1.3486 C[C@H]1C[C@H](C(=O)N1)OCC(C)(C)O a3566e1853b834bfbc135cebf328f777 [0,0,0,1,0,1|1,0,0]=3 2858 B13R1.3719 CC(C)(O)CCOCC1(CC1F)C 2834885d9d187ce72d39f247af7a8cdf [0,0,0,1,0,1|1,0,1]=4 2859 B13R1.3782 CC1CCCN(CC1)CC(C)(C)O f65a58712f0cdfbca4fb30083d03d4f5 [0,0,0,1,0,1|1,0,1]=4 2860 B13R1.3855 CC1CC(N1CCCC(C)(C)O)C 12cb1923868a47e23f1addedbee91453 [0,0,0,1,0,1|1,0,1]=4 2861 B13R1.3855 C[C@@H]1C[C@@H](N1CCCC(C)(C)O)C e478d2d9eae40ffe3d8ca7ffd84048ee [0,0,0,1,0,1|1,0,1]=4 2862 B13R1.3855 C[C@@H]1C[C@H](N1CCCC(C)(C)O)C 568b2c01cf4539c404f57572f7609445 [0,0,0,1,0,1|1,0,1]=4 2863 B13R1.3855 C[C@H]1C[C@@H](N1CCCC(C)(C)O)C 6d9d03461cf307ddb43025aa56183d41 [0,0,0,1,0,1|1,0,1]=4 2864 B13R1.3864 C=C1CC(C1)CNCCC(C)(C)C 61004f590797dbac91a82de52a6d53d6 [0,0,0,1,0,1|2,0,0]=4 2865 B13R1.3864 C=C1CC(C1)CNCCC(C)(C)F 89b762ef83e8cfa5f59b7b3a1c6a86c1 [0,0,0,1,0,1|2,0,0]=4 2866 B13R1.3864 C=C1CC(C1)CNCCC(C)(C)O d974ac3a32af16ccd0771f6e325122a5 [0,0,0,1,0,1|1,0,0]=3 2867 B13R1.3864 C=C1CC(C1)COCCC(C)(C)C a259c282d79209b2d688fbbcdb8b4db7 [0,0,0,1,0,1|2,0,0]=4 2868 B13R1.3864 C=C1CC(C1)COCCC(C)(C)O 6075e9f86f05d426ac954ce19a061386 [0,0,0,1,0,1|1,0,0]=3 2869 B13R1.3864 C=C1CC(C1)COCCC(C)(C)S ffdaa3167cdb9d644df55d1f7f8ff744 [0,0,0,1,0,1|1,1,0]=4 2870 B13R1.3864 CC(C)(C)CCCNC1CC(=O)C1 1f4e0d851e68d2dae9cff93bfdaca181 [0,0,0,1,0,1|1,0,0]=3 2871 B13R1.3864 CC(C)(C)CCCOC1CC(=O)C1 3d5433e211b60028be06a708b3b67616 [0,0,0,1,0,1|1,0,0]=3 2872 B13R1.3864 CC(C)(C)CCNCC1CC(=O)C1 c7bdcbba4d912870268d2f6edc0f7032 [0,0,0,1,0,1|1,0,0]=3 2873 B13R1.3864 CC(C)(C)CCNCC1CC(=O)N1 5bb12196cd1553075cb64f2e52677651 [0,0,0,1,0,1|2,0,0]=4 2874 B13R1.3864 CC(C)(C)CCNCC1CC(=O)O1 bebc416099fe52ae36bad7bcee16a0b1 [0,0,0,1,0,1|2,0,0]=4 2875 B13R1.3864 CC(C)(C)CCOCC1CC(=O)C1 6155a0d082b92bdbf3b080ed90db08bd [0,0,0,1,0,1|1,0,0]=3 2876 B13R1.3864 CC(C)(C)CCOCC1CC(=O)N1 a3cb4dd17a31b2ae3bc85af8fbace6f3 [0,0,0,1,0,1|2,0,0]=4 2877 B13R1.3864 CC(C)(C)CCOCC1CC(=O)O1 3ca7275fa3bb1eb11f9f6a98ef4cc2f0 [0,0,0,1,0,1|2,0,0]=4 2878 B13R1.3864 CC(C)(C)CCOC[C@@H]1CC(=O)N1 1a8f7fb8f235e759be7c51222853949a [0,0,0,1,0,1|2,0,0]=4 2879 B13R1.3864 CC(C)(C)CCOC[C@H]1CC(=O)N1 447beebf4722cfac16d6509c957d4e42 [0,0,0,1,0,1|2,0,0]=4 2880 B13R1.3864 CC(C)(C)OCCOC1CC(=O)C1 8c72ac061cc9b37f7bd88dfbb0c5b624 [0,0,0,1,0,1|2,0,0]=4 2881 B13R1.3864 CC(C)(C)SCCNC1CC(=O)C1 2854e59418f219d3423b327ef99ca498 [0,0,0,1,0,1|2,0,0]=4 2882 B13R1.3864 CC(C)(C)SCCOC1CC(=O)C1 4c5ae4b94accab305787925f2ada1d30 [0,0,0,1,0,1|2,0,0]=4 2883 B13R1.3864 CC(C)(F)CCNCC1CC(=O)C1 c9bde78053b8ccc9cc9c16a6ff37b83b [0,0,0,1,0,1|1,0,0]=3 2884 B13R1.3864 CC(C)(F)CCNCC1CC(=O)N1 e8b5873a8f7936b4dfa00085132c6d96 [0,0,0,1,0,1|2,0,0]=4 2885 B13R1.3864 CC(C)(F)CCNCC1CC(=O)O1 ec75e3554f9057ea3c656e04e98f35ff [0,0,0,1,0,1|2,0,0]=4 2886 B13R1.3864 CC(C)(O)CCCNC1CC(=O)C1 69c9bf6620af8801f8f2fa3ab1a64b6c [0,0,0,1,0,1|0,0,0]=2 2887 B13R1.3864 CC(C)(O)CCCNC1CC(C1)F 99302fac5df5e1010baf6cfb69e2f2c4 [0,0,0,1,0,1|1,0,1]=4 2888 B13R1.3864 CC(C)(O)CCCNC1CC(C1)O 95def1b86c246c5b3f0d8844f9868bc8 [0,0,0,1,0,1|0,0,2]=4 2889 B13R1.3864 CC(C)(O)CCCN[C@H]1C[C@@H](C1)F 0b8e262549da27082f5bc34880e9579c [0,0,0,1,0,1|1,0,1]=4 2890 B13R1.3864 CC(C)(O)CCCN[C@H]1C[C@@H](C1)O c79480136203ec6309338fa39d8a8747 [0,0,0,1,0,1|0,0,2]=4 2891 B13R1.3864 CC(C)(O)CCCN[C@H]1C[C@H](C1)F 8836d2a4c220c7eb405cbb8b0fca0e70 [0,0,0,1,0,1|1,0,1]=4 2892 B13R1.3864 CC(C)(O)CCCN[C@H]1C[C@H](C1)O 9ab497fcd12b565f899c1b9f9c37a93e [0,0,0,1,0,1|0,0,2]=4 2893 B13R1.3864 CC(C)(O)CCCOC1CC(=O)C1 984f4b33faed48dce1323e33ecea6a72 [0,0,0,1,0,1|0,0,0]=2 2894 B13R1.3864 CC(C)(O)CCCOC1CC(C1)F 5c5e869a4b608e617dd67b685abf2baa [0,0,0,1,0,1|1,0,1]=4 2895 B13R1.3864 CC(C)(O)CCCO[C@H]1C[C@@H](C1)F 35e0fa28950573ce0a8a2b72a16e5a9c [0,0,0,1,0,1|1,0,1]=4 2896 B13R1.3864 CC(C)(O)CCCO[C@H]1C[C@H](C1)F ed213784aabfba73630169665a650d42 [0,0,0,1,0,1|1,0,1]=4 2897 B13R1.3864 CC(C)(O)CCNCC1CC(=O)C1 c545eca11d9ed4b4fe68798ad66fbc0a [0,0,0,1,0,1|0,0,0]=2 2898 B13R1.3864 CC(C)(O)CCNCC1CC(=O)N1 c4ca7a2ffd299f670c8fc690c7e24b70 [0,0,0,1,0,1|1,0,0]=3 2899 B13R1.3864 CC(C)(O)CCNCC1CC(=O)O1 5d57f98add5196f300945c312e1d6fff [0,0,0,1,0,1|1,0,0]=3 2900 B13R1.3864 CC(C)(O)CCNCC1CC(C1)O 6bce2936167340c02b170babc20f1409 [0,0,0,1,0,1|0,0,2]=4 2901 B13R1.3864 CC(C)(O)CCNC[C@H]1C[C@@H](C1)O f908f03b3264fcde0a52086221c4d77a [0,0,0,1,0,1|0,0,2]=4 2902 B13R1.3864 CC(C)(O)CCNC[C@H]1C[C@H](C1)F d4df7c6fbd8659256096845e4d34d399 [0,0,0,1,0,1|1,0,1]=4 2903 B13R1.3864 CC(C)(O)CCNC[C@H]1C[C@H](C1)O 7a77b4c3a63c6ebf0f7c27ee42b6ebbb [0,0,0,1,0,1|0,0,2]=4 2904 B13R1.3864 CC(C)(O)CCOCC1CC(=O)C1 fb5a2f5902e150f0a6484b10e92ee208 [0,0,0,1,0,1|0,0,0]=2 2905 B13R1.3864 CC(C)(O)CCOCC1CC(=O)N1 a98562c7cc653241b8d2ff169d95bdca [0,0,0,1,0,1|1,0,0]=3 2906 B13R1.3864 CC(C)(O)CCOCC1CC(C1)F 4c4330a57b1524fc42c9762599143fa4 [0,0,0,1,0,1|1,0,1]=4 2907 B13R1.3864 CC(C)(O)CCOC[C@@H]1CC(=O)N1 9b6b65a4961fb10c40ad86c6544ed0c7 [0,0,0,1,0,1|1,0,0]=3 2908 B13R1.3864 CC(C)(O)CCOC[C@H]1CC(=O)N1 f99ed8597c87366a4f981134a8699c11 [0,0,0,1,0,1|1,0,0]=3 2909 B13R1.3864 CC(C)(O)CCOC[C@H]1C[C@@H](C1)C 66e60db7c489ed4df1fe4b4c8ead152f [0,0,0,1,0,1|1,0,1]=4 2910 B13R1.3864 CC(C)(S)CCOCC1CC(=O)C1 480a1ce65a9ccb5855e1896400fab97f [0,0,0,1,0,1|0,1,0]=3 2911 B13R1.3864 CC(C)(S)CCOCC1CC(=O)N1 dd1e1244018aca570ad027a4e5fe0f73 [0,0,0,1,0,1|1,1,0]=4 2912 B13R1.3864 CC(C)(S)CCOCC1CC(=O)O1 e47f5007c8e63977fd0b89b7e87700a3 [0,0,0,1,0,1|1,1,0]=4 2913 B13R1.3864 CC(F)(F)CCCOC1CC(=O)C1 5e78ea61d751a0a0e20af62afa911966 [0,0,0,1,0,1|2,0,0]=4 2914 B13R1.3864 CC(F)(F)CCOCC1CC(=O)C1 283f98c626f5f1fc6131910b887447a8 [0,0,0,1,0,1|2,0,0]=4 2915 B13R1.3864 CC1CC(C1)CNCCC(C)(C)O 5e8746413e436149bfcc912380c95a45 [0,0,0,1,0,1|1,0,1]=4 2916 B13R1.3864 CC1CC(C1)COCCC(C)(C)O 810380b547899ec99d1baa6f42cb3fbd [0,0,0,1,0,1|1,0,1]=4 2917 B13R1.3864 CC1CC(C1)OCCCC(C)(C)O 5bb898a50ef8598ada6bc410755b6ffe [0,0,0,1,0,1|1,0,1]=4 2918 B13R1.3864 CN1CC(C1)CCNCC(C)(C)O 859fdb2116d9f33b81ea8876edd89ee4 [0,0,0,1,0,1|2,0,0]=4 2919 B13R1.3864 CN1CC(C1)CCOCC(C)(C)O 34ee62b7ada154a88dd9959eb7debc5f [0,0,0,1,0,1|2,0,0]=4 2920 B13R1.3864 CN1CC(C1)CNCCC(C)(C)O badfeae383ce5e7aee0140c9077de5b6 [0,0,0,1,0,1|2,0,0]=4 2921 B13R1.3864 CN1CC(C1)COCCC(C)(C)O 55fe15bb826b5f5e230bca7804936a40 [0,0,0,1,0,1|2,0,0]=4 2922 B13R1.3864 CN1CC(C1)NCCCC(C)(C)O fddfeb2415df9ffd3528346835ee33a5 [0,0,0,1,0,1|2,0,0]=4 2923 B13R1.3864 CN1CC(C1)OCCCC(C)(C)O 3c4aeacfe929ac28803e17ce844ccb6e [0,0,0,1,0,1|2,0,0]=4 2924 B13R1.4033 CC(C)(O)CO[C@H]1C[C@@H](C1)CC#N ff977fdac64c5c25aca2a95ada65a502 [0,0,0,1,0,1|1,0,1]=4 2925 B13R1.4033 CCCC1CN(C1)CCC(C)(C)O 07dc8bad49f5bd3b9ad324bf56b7511a [0,0,0,1,0,1|1,0,1]=4 2926 B13R1.4033 COCC1CC(C1)NCC(C)(C)O 60b452b4f56a8e149cc8af3145499e9f [0,0,0,1,0,1|2,0,0]=4 2927 B13R1.4033 COCC1CN(C1)CCC(C)(C)O 329c41d1517464bb45963c6e3a459471 [0,0,0,1,0,1|2,0,0]=4 2928 B13R1.4033 COC[C@H]1C[C@@H](C1)OCC(C)(C)O 343080ab9d03ce534fcf7806c8fb9604 [0,0,0,1,0,1|2,0,0]=4 2929 B13R1.4033 COC[C@H]1C[C@H](C1)OCC(C)(C)O 54f8af6ae996632b70dd0fbeedd36b1d [0,0,0,1,0,1|2,0,0]=4 2930 B13R1.7702 CC(C)(O)CCCNC1(CCC1)C 10dfc31ebb13dc971e097646e17ec8ba [0,0,0,1,0,1|1,0,1]=4 2931 B13R1.7702 CC(C)(O)CCCNC1(COC1)C 0ae9433f3af00eccedcebffe26ad801a [0,0,0,1,0,1|2,0,0]=4 2932 B13R1.7702 CC(C)(O)CCCNC1(CSC1)C b0299a0d8af26223e1a382cf591cec36 [0,0,0,1,0,1|2,0,0]=4 2933 B13R1.7702 CC(C)(O)CCNCC1(CCC1)C db6cd46f65d505e87d5ba930c54c29f8 [0,0,0,1,0,1|1,0,1]=4 2934 B13R1.7702 CC(C)(O)CCNCC1(CCO1)C 250ba3d0750a6e5b8f3ce14769569c94 [0,0,0,1,0,1|0,0,2]=4 2935 B13R1.7702 CC(C)(O)CCNCC1(COC1)C 5e5d43872cdd15bda29807360b6fc7d7 [0,0,0,1,0,1|2,0,0]=4 2936 B13R1.7702 CC(C)(O)CCNC[C@@]1(CCO1)C 8e9ef45d561d018f672951cb28580ba0 [0,0,0,1,0,1|0,0,2]=4 2937 B13R1.7702 CC(C)(O)CCOCC1(CCC1)C 84cea60dc542af67d0da432b5cb133c4 [0,0,0,1,0,1|1,0,1]=4 2938 B13R1.7702 CC(C)(O)CCOCC1(CCO1)C 52b4011640da3a02db4f37bf68038d0b [0,0,0,1,0,1|0,0,2]=4 2939 B13R1.7702 CC(C)(O)CCOCC1(COC1)C 003c1cd6a1cf94d278da4a31af72f1c3 [0,0,0,1,0,1|2,0,0]=4 2940 B13R1.7702 CC(C)(O)CCOCC1(CSC1)C aef56edf5a1d0d97d75f8d114881e653 [0,0,0,1,0,1|2,0,0]=4 2941 B13R1.7702 CC(C)(O)CCOC[C@@]1(CCO1)C c077178a39a127a08d9fc8ffe50a3b3a [0,0,0,1,0,1|0,0,2]=4 2942 B13R1.7702 CC(C)(O)CCOC[C@]1(CCO1)C c597a6e4b885935a39de93886954a0b9 [0,0,0,1,0,1|0,0,2]=4 2943 B13R1.8875 CC(COCCC(C)(C)O)C1CC1 1ac1a3577acaef69e20dea1eba5d1f80 [0,0,0,1,0,1|1,0,1]=4 2944 B13R1.8875 CC(NCCCC(C)(C)O)C1CC1 c72d0a94241e2508e2851f8c131923d8 [0,0,0,1,0,1|1,0,1]=4 2945 B13R1.8875 CC(OCCCC(C)(C)O)C1CC1 9a1d1525ae65d6f5842707a42c0a4e50 [0,0,0,1,0,1|1,0,1]=4 2946 B13R1.8875 C[C@@H](NCCCC(C)(C)O)C1CC1 565d78249db25b69c391dffeeb5a2941 [0,0,0,1,0,1|1,0,1]=4 2947 B13R1.8875 C[C@@H](OCCCC(C)(C)O)C1CC1 1430246a1ecc1b527ca2f0d357e84699 [0,0,0,1,0,1|1,0,1]=4 2948 B13R1.8875 C[C@H](NCCCC(C)(C)O)C1CC1 c511a04b3896e649923a951ad6416940 [0,0,0,1,0,1|1,0,1]=4 2949 B13R1.8875 C[C@H](OCCCC(C)(C)O)C1CC1 e8c0d31e216e32371e37920dde90718d [0,0,0,1,0,1|1,0,1]=4 2950 B13R1.140 C=CCN1CCC(CC1)C(C)(C)O 80ad259917e718430caf210f4378483a [0,1,0,1,0,0|2,0,0]=4 2951 B13R1.140 CC(C)(C)C1CCC(CC1)NC=O 6ef80bb602cb9ddc754de37058cd040f [0,1,0,1,0,0|2,0,0]=4 2952 B13R1.140 CC(C)(C)C1CCN(CC1)CC=O 0e66d026668f0955c60c6fb3cfcfbc22 [0,1,0,1,0,0|2,0,0]=4 2953 B13R1.140 CC(C)(C)[C@H]1CC[C@@H](CC1)NC=O 69f138a37b37cce6cda598677c9543fd [0,1,0,1,0,0|2,0,0]=4 2954 B13R1.140 CC(C)(C)[C@H]1CC[C@H](CC1)NC=O e797d977727ed9a6c787a332b34d202e [0,1,0,1,0,0|2,0,0]=4 2955 B13R1.140 CC(C)(O)C1CCC(CC1)NC=O 459cc310ca6dc6d970470dfc953732c6 [0,1,0,1,0,0|1,0,0]=3 2956 B13R1.140 CC(C)(O)C1CCN(CC1)CC=O 8d43a1cdaca047204b7fd34f09c6380d [0,1,0,1,0,0|1,0,0]=3 2957 B13R1.140 CC(C)(O)[C@H]1CC[C@@H](CC1)NC=O 97891c4d874a0d2a36b33a1fe7b62847 [0,1,0,1,0,0|1,0,0]=3 2958 B13R1.140 CC(C)(O)[C@H]1CC[C@H](CC1)NC=O df6722407f237c2d0320c208e0d63846 [0,1,0,1,0,0|1,0,0]=3 2959 B13R1.624 CC(C)(C)C(O)CNC1CC1C=O e40c8ade68ba34a65120df87e429f7f0 [0,1,0,1,0,0|2,0,0]=4 2960 B13R1.624 CC(C)(O)C(O)CNC1CC1C=O 5f1cef7571fca70b8d970611c47c6dea [0,1,0,1,0,0|1,0,0]=3 2961 B13R1.624 CC(C)(O)[C@@H](F)CNC1CC1C=O 85f007713557a3586d03b4fa4405e3fc [0,1,0,1,0,0|1,0,0]=3 2962 B13R1.624 CC(C)(O)[C@H](F)CNC1CC1C=O fff62f997a6611a03b91e783a1eb3eeb [0,1,0,1,0,0|1,0,0]=3 2963 B13R1.624 CC(COC1CC1C=O)C(C)(C)C 610a3de970dcd369a860db5580e5cd89 [0,1,0,1,0,0|2,0,0]=4 2964 B13R1.2551 C=CCC(C)CNC1COC1(C)C 445a405fb68d52268f939dbc3326d0af [0,1,0,1,0,0|2,0,0]=4 2965 B13R1.2551 C=CCC(C)COC1COC1(C)C d78fb609c2d510965f81cb59d1e29df5 [0,1,0,1,0,0|2,0,0]=4 2966 B13R1.2781 CC(NCC1CC=CC1)C(C)(C)O 480a09317a3f5d64475d544b27468dc9 [0,1,0,1,0,0|2,0,0]=4 2967 B13R1.2781 CC(OCC1CC=CC1)C(C)(C)O 9a10ab52dca707f1a58fe1e754137d14 [0,1,0,1,0,0|2,0,0]=4 2968 B13R1.2781 C[C@@H](NCC1CC=CC1)C(C)(C)O 9e980af5bf57cce3874e0b320af9c95c [0,1,0,1,0,0|2,0,0]=4 2969 B13R1.2781 C[C@H](NCC1CC=CC1)C(C)(C)O eab766cea6b94fd96c23b8c48cd935d5 [0,1,0,1,0,0|2,0,0]=4 2970 B13R1.3131 C=CCC(C)CNC(C)C1(CC1)O 3fb26d00f6214a163cf195aafaa834a2 [0,1,0,1,0,0|2,0,0]=4 2971 B13R1.3131 C=CCC(C)CN[C@@H](C)C1(CC1)O f809fabc53bb3fa4aac26695b9747fda [0,1,0,1,0,0|2,0,0]=4 2972 B13R1.3845 C=C1CC(C1)CNC(C)C(C)(C)O 50e9ebeccde0b447ed3bcac0da89e6a9 [0,1,0,1,0,0|2,0,0]=4 2973 B13R1.3845 C=C1CC(C1)CN[C@@H](C)C(C)(C)O 3cd9e8d886ec19e86a2bcf59be9cebbd [0,1,0,1,0,0|2,0,0]=4 2974 B13R1.3845 C=C1CC(C1)CN[C@H](C)C(C)(C)O c5059b5f6f31c29ad064c37e595fe090 [0,1,0,1,0,0|2,0,0]=4 2975 B13R1.3845 C=C1CC(C1)COC(C)C(C)(C)O 85fee2aab3ac2d797676db03418c60a2 [0,1,0,1,0,0|2,0,0]=4 2976 B13R1.3845 CC(C)(O)C(=O)COC1CC(=O)C1 4c4aa2bb6d0f5fec7822844babaf8583 [0,1,0,1,0,0|1,0,1]=4 2977 B13R1.3845 CC(C)(O)C(O)CNC1CC(=O)C1 64299a81120dea829ad0854804fb8fd9 [0,1,0,1,0,0|1,0,0]=3 2978 B13R1.3845 CC(C)(O)[C@@H](F)CNC1CC(=O)C1 e0edf88c0d6489669408e5f82c151da5 [0,1,0,1,0,0|1,0,0]=3 2979 B13R1.3845 CC(C)(O)[C@H](F)CNC1CC(=O)C1 4a67ed76869bf4656fd859340547b65f [0,1,0,1,0,0|1,0,0]=3 2980 B13R1.3845 CC(NCC1CC(=O)C1)C(C)(C)C 89f8f36884d0022ff729df6ee3e65a3d [0,1,0,1,0,0|2,0,0]=4 2981 B13R1.3845 CC(NCC1CC(=O)C1)C(C)(C)O 5cb1d6355792dea66e334f4d4f1a7182 [0,1,0,1,0,0|1,0,0]=3 2982 B13R1.3845 CC(NCC1CC(=O)N1)C(C)(C)O 8566f647dc6bb97f0f4a2e23457788b4 [0,1,0,1,0,0|2,0,0]=4 2983 B13R1.3845 CC(NCC1CC(=O)O1)C(C)(C)O 41f0e89c0e729df8d27095a579465186 [0,1,0,1,0,0|2,0,0]=4 2984 B13R1.3845 CC(OCC1CC(=O)C1)C(C)(C)O ec87aa8a3a81eda51eb1d2b79757034b [0,1,0,1,0,0|1,0,0]=3 2985 B13R1.3845 CC(OCC1CC(=O)N1)C(C)(C)O 3a19e9722dd723a3386d1a5b9d13f0d5 [0,1,0,1,0,0|2,0,0]=4 2986 B13R1.3845 CC(OC[C@@H]1CC(=O)N1)C(C)(C)O 2120a38076c5a8a39346af3e8ade8d16 [0,1,0,1,0,0|2,0,0]=4 2987 B13R1.3845 CC(OC[C@H]1CC(=O)N1)C(C)(C)O 2e1a7b353d322f83b34e53ca8d766908 [0,1,0,1,0,0|2,0,0]=4 2988 B13R1.3845 C[C@@H](NCC1CC(=O)C1)C(C)(C)C 26c2d75bd3868f388e0fbea45990afa0 [0,1,0,1,0,0|2,0,0]=4 2989 B13R1.3845 C[C@@H](NCC1CC(=O)C1)C(C)(C)O c972bb1cfa2630f91382a306abcbcc00 [0,1,0,1,0,0|1,0,0]=3 2990 B13R1.3845 C[C@@H](NCC1CC(=O)N1)C(C)(C)O dbccabad21c334edc2eb020f705f2325 [0,1,0,1,0,0|2,0,0]=4 2991 B13R1.3845 C[C@@H](NCC1CC(=O)O1)C(C)(C)O e32f73d2271eb2db082def0eb95a0262 [0,1,0,1,0,0|2,0,0]=4 2992 B13R1.3845 C[C@H](NCC1CC(=O)C1)C(C)(C)C 353344a5c25740f74e9205677bf8aa37 [0,1,0,1,0,0|2,0,0]=4 2993 B13R1.3845 C[C@H](NCC1CC(=O)C1)C(C)(C)O 1f338d54deed8cf7fa02d867b0fd41fe [0,1,0,1,0,0|1,0,0]=3 2994 B13R1.3845 C[C@H](NCC1CC(=O)N1)C(C)(C)O d1df9f275cc5939d98cd8cd5433a46b8 [0,1,0,1,0,0|2,0,0]=4 2995 B13R1.3845 C[C@H](NCC1CC(=O)O1)C(C)(C)O d47525c882b1e142f815679ccec50662 [0,1,0,1,0,0|2,0,0]=4 2996 B13R1.127 CC(C)(Br)COCC1CNC(=O)C1 3315123bb629b65e1ac268d3bb57a052 [0,1,0,1,0,0|2,0,0]=4 2997 B13R1.127 CC(C)(C)CCNC1CNC(=O)C1 6f5840fd0f82cb8da50ac1e920514c3a [0,1,0,1,0,0|2,0,0]=4 2998 B13R1.127 CC(C)(C)CCN[C@@H]1CNC(=O)C1 8b5d0dae5ec55d57518b61c5cca4d4ee [0,1,0,1,0,0|2,0,0]=4 2999 B13R1.127 CC(C)(C)CCN[C@H]1CNC(=O)C1 a185386521c53deb717ecaa4077160db [0,1,0,1,0,0|2,0,0]=4 3000 B13R1.127 CC(C)(C)CCOC1CCC(=O)C1 f4ea0b4970863e6dea5bf4b7553f33b1 [0,1,0,1,0,0|2,0,0]=4 3001 B13R1.127 CC(C)(C)CCOC1CNC(=O)C1 ad52d5efc89379244e5d38e5817c85e9 [0,1,0,1,0,0|2,0,0]=4 3002 B13R1.127 CC(C)(C)CCOC1COC(=O)C1 942fb51ec6dcb1f8f5136deabcc5e9b2 [0,1,0,1,0,0|2,0,0]=4 3003 B13R1.127 CC(C)(C)CCO[C@@H]1CNC(=O)C1 8f34ac1464d9163f4c30f51bc3bca6cd [0,1,0,1,0,0|2,0,0]=4 3004 B13R1.127 CC(C)(C)CCO[C@@H]1COC(=O)C1 c87d54b0e3512cb7d04aba329dcfe871 [0,1,0,1,0,0|2,0,0]=4 3005 B13R1.127 CC(C)(C)CCO[C@H]1CNC(=O)C1 f7e1f0ab3caf44ebbc852bb2fa96e27e [0,1,0,1,0,0|2,0,0]=4 3006 B13R1.127 CC(C)(C)CCO[C@H]1COC(=O)C1 eccba60b3757f4e39044b456113b978d [0,1,0,1,0,0|2,0,0]=4 3007 B13R1.127 CC(C)(C)CNCC1CNC(=O)C1 ce67b4b520f95854c63884fd18426738 [0,1,0,1,0,0|2,0,0]=4 3008 B13R1.127 CC(C)(C)CNC[C@@H]1CNC(=O)C1 4d9e15b4851bef58aac8034174704a34 [0,1,0,1,0,0|2,0,0]=4 3009 B13R1.127 CC(C)(C)COCC1CCC(=O)C1 39a6b04d8c86e1960276f752bbcb8af8 [0,1,0,1,0,0|2,0,0]=4 3010 B13R1.127 CC(C)(C)COCC1CNC(=O)C1 43aa40034aaede622a9886dff4c4d9de [0,1,0,1,0,0|2,0,0]=4 3011 B13R1.127 CC(C)(C)COCC1COC(=O)C1 3dd95413115667dca77fc89e3b2cfe1a [0,1,0,1,0,0|2,0,0]=4 3012 B13R1.127 CC(C)(C)COC[C@@H]1CCC(=O)C1 1a143e96a84b74d240ee333fd58ef559 [0,1,0,1,0,0|2,0,0]=4 3013 B13R1.127 CC(C)(C)COC[C@@H]1CNC(=O)C1 e1f508946ee1404c761342c8d34b38e8 [0,1,0,1,0,0|2,0,0]=4 3014 B13R1.127 CC(C)(C)COC[C@H]1CNC(=O)C1 e1112fc14ed072051e2a8352aee220dc [0,1,0,1,0,0|2,0,0]=4 3015 B13R1.127 CC(C)(F)CNCC1CNC(=O)C1 e401caf47a4c48f23c09b0d36faa256a [0,1,0,1,0,0|2,0,0]=4 3016 B13R1.127 CC(C)(F)CNC[C@@H]1CNC(=O)C1 7e8c37755ae63da537dab8c2f0f01def [0,1,0,1,0,0|2,0,0]=4 3017 B13R1.127 CC(C)(F)COCC1CCC(=O)C1 87e7bc7a5343db75eda3c118bcdfecb8 [0,1,0,1,0,0|2,0,0]=4 3018 B13R1.127 CC(C)(F)COCC1CNC(=O)C1 33e21af378a441777766bfd918008061 [0,1,0,1,0,0|2,0,0]=4 3019 B13R1.127 CC(C)(F)COCC1COC(=O)C1 339728e0af00196d20b5544b7e06632b [0,1,0,1,0,0|2,0,0]=4 3020 B13R1.127 CC(C)(F)COC[C@@H]1CCC(=O)C1 ce52df8c974ced99b0d2ff8a0be9b056 [0,1,0,1,0,0|2,0,0]=4 3021 B13R1.127 CC(C)(F)COC[C@@H]1CNC(=O)C1 ef51d19a7d71ff6833103b94cee76fe7 [0,1,0,1,0,0|2,0,0]=4 3022 B13R1.127 CC(C)(F)COC[C@H]1CNC(=O)C1 74be25f4057e5507b399537c9a4e5a7e [0,1,0,1,0,0|2,0,0]=4 3023 B13R1.127 CC(C)(O)CCCN1CNC(=O)C1 6948f475a443a973f81579369bf6ab3a [0,1,0,1,0,0|1,0,0]=3 3024 B13R1.127 CC(C)(O)CCNC1CNC(=O)C1 7adef9649db370382f156407ed934844 [0,1,0,1,0,0|1,0,0]=3 3025 B13R1.127 CC(C)(O)CCN[C@@H]1CNC(=O)C1 9e90bea15b87bd5a1d01bfee36e4b730 [0,1,0,1,0,0|1,0,0]=3 3026 B13R1.127 CC(C)(O)CCN[C@H]1CNC(=O)C1 fefb350d4435c0d97db0fc4587b332cb [0,1,0,1,0,0|1,0,0]=3 3027 B13R1.127 CC(C)(O)CCOC1C=CC(=O)C1 f67c7a18e02869a4f89a7deb2600abec [0,1,0,1,0,0|1,0,1]=4 3028 B13R1.127 CC(C)(O)CCOC1CCC(=O)C1 617aba5989a19db0fd58ff44ef93cb38 [0,1,0,1,0,0|1,0,0]=3 3029 B13R1.127 CC(C)(O)CCOC1CNC(=O)C1 e797dbd87280f0a2a7471ce4cce2fdb5 [0,1,0,1,0,0|1,0,0]=3 3030 B13R1.127 CC(C)(O)CCOC1COC(=O)C1 db27f09658735e2a6a6f95820184d9a4 [0,1,0,1,0,0|1,0,0]=3 3031 B13R1.127 CC(C)(O)CCO[C@@H]1CNC(=O)C1 8633e95fe6eec0479bb03058ecd7e586 [0,1,0,1,0,0|1,0,0]=3 3032 B13R1.127 CC(C)(O)CCO[C@@H]1COC(=O)C1 c7ca2c44b25b13cccdbe45a66fe7fb81 [0,1,0,1,0,0|1,0,0]=3 3033 B13R1.127 CC(C)(O)CCO[C@H]1C=CC(=O)C1 421af01457f739061820e97536558e98 [0,1,0,1,0,0|1,0,1]=4 3034 B13R1.127 CC(C)(O)CCO[C@H]1CNC(=O)C1 5d722f6abac82ab0544873a29a3446a9 [0,1,0,1,0,0|1,0,0]=3 3035 B13R1.127 CC(C)(O)CCO[C@H]1COC(=O)C1 e17e8c3f673c04da57bf8022d1767527 [0,1,0,1,0,0|1,0,0]=3 3036 B13R1.127 CC(C)(O)CNCC1CCC(=O)N1 5231c308eedfb759973d6209a5d60191 [0,1,0,1,0,0|2,0,0]=4 3037 B13R1.127 CC(C)(O)CNCC1CCC(=O)O1 82cebcf74eb65cb51c290c4738ae93ad [0,1,0,1,0,0|2,0,0]=4 3038 B13R1.127 CC(C)(O)CNCC1CNC(=O)C1 7ad7600abd2da373b242da1891c1613f [0,1,0,1,0,0|1,0,0]=3 3039 B13R1.127 CC(C)(O)CNC[C@@H]1CCC(=O)N1 eea4b3d0948d62a84d9e2ffb477dccf5 [0,1,0,1,0,0|2,0,0]=4 3040 B13R1.127 CC(C)(O)CNC[C@@H]1CNC(=O)C1 0b2d121e2f6afb66b9dc88fdcf11016b [0,1,0,1,0,0|1,0,0]=3 3041 B13R1.127 CC(C)(O)CNC[C@H]1CCC(=O)N1 452611cb4b8be829e49a873c82b7cd5b [0,1,0,1,0,0|2,0,0]=4 3042 B13R1.127 CC(C)(O)COCC1CCC(=O)C1 1cecab25b1be7150c0d1153cfb8d6d2d [0,1,0,1,0,0|1,0,0]=3 3043 B13R1.127 CC(C)(O)COCC1CCC(=O)N1 024b52731352207add169b2486515be3 [0,1,0,1,0,0|2,0,0]=4 3044 B13R1.127 CC(C)(O)COCC1CCC(=O)O1 f358aa6a89058074c23120065317bc2b [0,1,0,1,0,0|2,0,0]=4 3045 B13R1.127 CC(C)(O)COCC1CNC(=O)C1 44b8d7a9a349f6adaaf6b2636786e354 [0,1,0,1,0,0|1,0,0]=3 3046 B13R1.127 CC(C)(O)COCC1CNC(=O)N1 9b6ae844b2ff5f9d69beaeab3300f8a3 [0,1,0,1,0,0|2,0,0]=4 3047 B13R1.127 CC(C)(O)COCC1COC(=O)C1 53fe006d562356796fcdfad8cf3e872a [0,1,0,1,0,0|1,0,0]=3 3048 B13R1.127 CC(C)(O)COC[C@@H]1CCC(=O)C1 d59e6d3c279e72ba78871c0d0ce8891e [0,1,0,1,0,0|1,0,0]=3 3049 B13R1.127 CC(C)(O)COC[C@@H]1CCC(=O)N1 a31ceda53ef40b4dbec374a4c099bf3e [0,1,0,1,0,0|2,0,0]=4 3050 B13R1.127 CC(C)(O)COC[C@@H]1CCC(=O)O1 ba3c7b8c6361ce45402905568b422379 [0,1,0,1,0,0|2,0,0]=4 3051 B13R1.127 CC(C)(O)COC[C@@H]1CNC(=O)C1 3fb17f5806283b1f81d6644a9e8800c4 [0,1,0,1,0,0|1,0,0]=3 3052 B13R1.127 CC(C)(O)COC[C@H]1CCC(=O)N1 cfc767226c025fe0382e5909204ca7e3 [0,1,0,1,0,0|2,0,0]=4 3053 B13R1.127 CC(C)(O)COC[C@H]1CCC(=O)O1 2429c5b08b8f6c101283c755cff89068 [0,1,0,1,0,0|2,0,0]=4 3054 B13R1.127 CC(C)(O)COC[C@H]1CNC(=O)C1 d06a0392454ef79178444ae1ec47aece [0,1,0,1,0,0|1,0,0]=3 3055 B13R1.127 CC(C)(S)COCC1CNC(=O)C1 b6fc234de68c267de638c3afc24e8d7b [0,1,0,1,0,0|1,1,0]=4 3056 B13R1.584 C=C(Br)CN1CCC(C1)C(C)(C)O 8b52d40ce25a426511a6e69334458f6b [0,1,0,1,0,0|2,0,0]=4 3057 B13R1.584 C=C(Br)CN1CC[C@@H](C1)C(C)(C)O 3dd89a7789b2f278643454aeb2b5aa10 [0,1,0,1,0,0|2,0,0]=4 3058 B13R1.584 C=C(Br)CN1CC[C@H](C1)C(C)(C)O d00e5f7777e7202bf18e38676bb3a375 [0,1,0,1,0,0|2,0,0]=4 3059 B13R1.584 C=C(C)CN1CCC(C1)C(C)(C)O 832b6df2fa507b10f0e95264559e4e45 [0,1,0,1,0,0|2,0,0]=4 3060 B13R1.584 C=C(C)CN1CC[C@@H](C1)C(C)(C)O b0be78cf6c1fab34a012967e5f0e77ea [0,1,0,1,0,0|2,0,0]=4 3061 B13R1.584 C=C(C)CN1CC[C@H](C1)C(C)(C)O 829ca7c14c9e00cd6c3b830a5c0fcc68 [0,1,0,1,0,0|2,0,0]=4 3062 B13R1.584 C=C(Cl)CN1CCC(C1)C(C)(C)O eff0f683f2f9a361a6bdf113057ee51e [0,1,0,1,0,0|2,0,0]=4 3063 B13R1.584 C=C(Cl)CN1CC[C@@H](C1)C(C)(C)O e821c4659db53d476a7267fc4d16d2c4 [0,1,0,1,0,0|2,0,0]=4 3064 B13R1.584 C=C(Cl)CN1CC[C@H](C1)C(C)(C)O 0d68c40e565dcf168b67daa81810ef65 [0,1,0,1,0,0|2,0,0]=4 3065 B13R1.584 C=C(F)CN1CCC(C1)C(C)(C)O 44e230a3abfb83606bb1735fed564af7 [0,1,0,1,0,0|2,0,0]=4 3066 B13R1.584 C=C(F)CN1CC[C@@H](C1)C(C)(C)O 38e3f6835c0b95498fa5cffbc099f279 [0,1,0,1,0,0|2,0,0]=4 3067 B13R1.584 C=C(F)CN1CC[C@H](C1)C(C)(C)O 6a1c984e2e847a5fda751b30f397cd82 [0,1,0,1,0,0|2,0,0]=4 3068 B13R1.584 CC(C)(O)C1CCN(C1)CC(=O)N 804e9e1c5d6008a731f54226bc7ef86f [0,1,0,1,0,0|1,0,0]=3 3069 B13R1.584 CC(C)(O)C1CCN(C1)CC(=O)O f96c65cb61fbfb6791aa2a8e784357d8 [0,1,0,1,0,0|1,0,0]=3 3070 B13R1.584 CC(C)(O)C1CCN(C1)C[N+](=O)[O-] 828b135a8d198bc620009800426b5df5 [0,1,0,1,0,0|2,0,0]=4 3071 B13R1.584 CC(C)(O)[C@@H]1CCN(C1)CC(=O)N 0ddccb72554ac8b201dd0c302f0c5542 [0,1,0,1,0,0|1,0,0]=3 3072 B13R1.584 CC(C)(O)[C@@H]1CCN(C1)CC(=O)O 98f3bb83587124d1421ce49830b358df [0,1,0,1,0,0|1,0,0]=3 3073 B13R1.584 CC(C)(O)[C@@H]1CCN(C1)C[N+](=O)[O-] 04ad9f0cdc3b9123a23d4166daf76c43 [0,1,0,1,0,0|2,0,0]=4 3074 B13R1.584 CC(C)(O)[C@H]1CCN(C1)CC(=O)N 45d306af502c4310169d029075335104 [0,1,0,1,0,0|1,0,0]=3 3075 B13R1.584 CC(C)(O)[C@H]1CCN(C1)CC(=O)O 22037ad2607328e5c0dbd6020e90527e [0,1,0,1,0,0|1,0,0]=3 3076 B13R1.584 CC(C)(O)[C@H]1CCN(C1)C[N+](=O)[O-] 26ab7fc36a319a67d56f6037c3d3af65 [0,1,0,1,0,0|2,0,0]=4 3077 B13R1.1018 CC(=O)NC1CN(C1)CC(C)(C)O e77e1d291c6a72650d4bdf9a85071c4a [0,1,0,1,0,0|2,0,0]=4 3078 B13R1.1018 CC(=O)OC1CN(C1)CC(C)(C)O 590999ce1c6bbecfac84db506e8b520e [0,1,0,1,0,0|2,0,0]=4 3079 B13R1.1018 CC(=O)SC1CN(C1)CC(C)(C)O c3845b5cc09988c6b9ba6845dc9af77b [0,1,0,1,0,0|2,0,0]=4 3080 B13R1.1018 CC(C)(C)CN1CC(C1)CC(=O)O 2084445b54ba349822e7844b926c2978 [0,1,0,1,0,0|2,0,0]=4 3081 B13R1.1018 CC(C)(F)CN1CC(C1)CC(=O)O 839d3ac6c68f05efa0f3cc7e8da0b7ad [0,1,0,1,0,0|2,0,0]=4 3082 B13R1.1018 CC(C)(O)CN1CC(C1)CC(=O)O 99b917d9c2a32ae76f4f7f2b42e013d5 [0,1,0,1,0,0|1,0,0]=3 3083 B13R1.1083 CC(C)(Br)COCC1CC1C(=O)O 574eb3baff813063847cae3216787a0a [0,1,0,1,0,0|2,0,0]=4 3084 B13R1.1083 CC(C)(Br)COC[C@@H]1C[C@H]1C(=O)O d7afb04078108c175271cd0a55b72cc6 [0,1,0,1,0,0|2,0,0]=4 3085 B13R1.1083 CC(C)(C)CCN[C@@H]1C[C@@H]1C(=O)O 028684990867628994a79fa3546403d3 [0,1,0,1,0,0|2,0,0]=4 3086 B13R1.1083 CC(C)(C)CCN[C@H]1C[C@@H]1C(=O)O 0a6f64953a2dd509d1f09aa1a7b79d53 [0,1,0,1,0,0|2,0,0]=4 3087 B13R1.1083 CC(C)(C)CCN[C@H]1C[C@H]1C(=O)O 7953b422a9df42862daa23e3cbebe705 [0,1,0,1,0,0|2,0,0]=4 3088 B13R1.1083 CC(C)(C)CCO[C@@H]1C[C@@H]1C(=O)O dbc74663b78daa70c316e5c71d2a4c50 [0,1,0,1,0,0|2,0,0]=4 3089 B13R1.1083 CC(C)(C)CCO[C@H]1C[C@@H]1C(=O)O 27836aca43ac96e9151eca63e50d8f49 [0,1,0,1,0,0|2,0,0]=4 3090 B13R1.1083 CC(C)(C)CCO[C@H]1C[C@H]1C(=O)O 1282dc6baedcfa60434f842a75413e8f [0,1,0,1,0,0|2,0,0]=4 3091 B13R1.1083 CC(C)(C)CNCC1CC1C(=O)O 2efbd4eb690f2a9211be4e1cce3e8765 [0,1,0,1,0,0|2,0,0]=4 3092 B13R1.1083 CC(C)(C)CNC[C@@H]1C[C@H]1C(=O)O 7332859a06a8b27033e6a771cd384947 [0,1,0,1,0,0|2,0,0]=4 3093 B13R1.1083 CC(C)(C)COCC1CC1C(=O)O 1cf613e465715a865cf7fe641f2d3ebb [0,1,0,1,0,0|2,0,0]=4 3094 B13R1.1083 CC(C)(C)COC[C@@H]1C[C@H]1C(=O)O 514c88c54afe908465fe7ea6457549f9 [0,1,0,1,0,0|2,0,0]=4 3095 B13R1.1083 CC(C)(C)COC[C@H]1C[C@@H]1C(=O)O 2ae79a0acece302ed338c06a8833a3c7 [0,1,0,1,0,0|2,0,0]=4 3096 B13R1.1083 CC(C)(C)COC[C@H]1C[C@H]1C(=O)O b187245eb73bfdda65503f5c22e294f4 [0,1,0,1,0,0|2,0,0]=4 3097 B13R1.1083 CC(C)(F)CCN[C@@H]1C[C@@H]1C(=O)O 223447872f0088996f8aaac96ca0a3b6 [0,1,0,1,0,0|2,0,0]=4 3098 B13R1.1083 CC(C)(F)CCN[C@H]1C[C@@H]1C(=O)O fe818231f09258b5fc44ff830a0efefb [0,1,0,1,0,0|2,0,0]=4 3099 B13R1.1083 CC(C)(F)CCN[C@H]1C[C@H]1C(=O)O ac794f2c5e5dc3cf7e8366d2bb86d775 [0,1,0,1,0,0|2,0,0]=4 3100 B13R1.1083 CC(C)(F)CNC[C@@H]1C[C@H]1C(=O)O 0613d1250d805b83e86795e72dfe8b9c [0,1,0,1,0,0|2,0,0]=4 3101 B13R1.1083 CC(C)(F)COCC1CC1C(=O)O 523c241db4994b829dee5b6cfc5825f9 [0,1,0,1,0,0|2,0,0]=4 3102 B13R1.1083 CC(C)(F)COC[C@@H]1C[C@H]1C(=O)O 870634d04b98466735d766e832a769b6 [0,1,0,1,0,0|2,0,0]=4 3103 B13R1.1083 CC(C)(F)COC[C@H]1C[C@@H]1C(=O)O 3cf41f757812a1e7bde2f255a8b0a72f [0,1,0,1,0,0|2,0,0]=4 3104 B13R1.1083 CC(C)(F)COC[C@H]1C[C@H]1C(=O)O df72e0ebff5dd5e82f5a3b2dfd7605f5 [0,1,0,1,0,0|2,0,0]=4 3105 B13R1.1083 CC(C)(O)CCN[C@@H]1C[C@@H]1C(=O)O 658b29245366c73fa9a640ac681528d2 [0,1,0,1,0,0|1,0,0]=3 3106 B13R1.1083 CC(C)(O)CCN[C@H]1C[C@@H]1C(=O)O 58c94820ec154580bfa1cb0970e8a0b9 [0,1,0,1,0,0|1,0,0]=3 3107 B13R1.1083 CC(C)(O)CCN[C@H]1C[C@H]1C(=O)O 0cc62bef2a2f762848e1f78ab7b37eda [0,1,0,1,0,0|1,0,0]=3 3108 B13R1.1083 CC(C)(O)CNCC1CC1C(=O)O 3b156e2d3c4e921797903b56ed32e1d8 [0,1,0,1,0,0|1,0,0]=3 3109 B13R1.1083 CC(C)(O)CNC[C@@H]1C[C@H]1C(=O)O 405f9400259666789a7001606bb33e93 [0,1,0,1,0,0|1,0,0]=3 3110 B13R1.1083 CC(C)(O)COCC1CC1C(=O)O e2c16aaa9f9482ee18f5b87faabc00a8 [0,1,0,1,0,0|1,0,0]=3 3111 B13R1.1083 CC(C)(O)COC[C@@H]1C[C@H]1C(=O)O 8fa00516c3b4017c9c4bec00db60732d [0,1,0,1,0,0|1,0,0]=3 3112 B13R1.1083 CC(C)(O)COC[C@H]1C[C@@H]1C(=O)O 1cbd040c671a115bedf9d9b827eb8642 [0,1,0,1,0,0|1,0,0]=3 3113 B13R1.1083 CC(C)(O)COC[C@H]1C[C@H]1C(=O)O f83adf53a8c1bda0d9e702bff9e39453 [0,1,0,1,0,0|1,0,0]=3 3114 B13R1.1083 CC(C)(S)CCO[C@@H]1C[C@@H]1C(=O)O a0d0adf14b972446739146480ff2ef5b [0,1,0,1,0,0|1,1,0]=4 3115 B13R1.1083 CC(C)(S)CCO[C@H]1C[C@@H]1C(=O)O a4062192b39e8b5da91bda45158df05e [0,1,0,1,0,0|1,1,0]=4 3116 B13R1.1083 CC(C)(S)CCO[C@H]1C[C@H]1C(=O)O f49bc25ad95796cbe862265350558b22 [0,1,0,1,0,0|1,1,0]=4 3117 B13R1.1083 CC(C)(S)COCC1CC1C(=O)O b28d696d67f2823267db366aa36ba894 [0,1,0,1,0,0|1,1,0]=4 3118 B13R1.1083 CC(C)(S)COC[C@@H]1C[C@H]1C(=O)O 5b07878a164a9b5f499ff39b4cf9aed3 [0,1,0,1,0,0|1,1,0]=4 3119 B13R1.3421 CC1CN(CC(=O)N1)CC(C)(C)O 3c2410f01d567561a38ecd2bde9fb0d3 [0,1,0,1,0,0|2,0,0]=4 3120 B13R1.3421 C[C@@H]1CN(CC(=O)N1)CC(C)(C)O 3d6a3cd1452b7a497931a4a322c24b24 [0,1,0,1,0,0|2,0,0]=4 3121 B13R1.3421 C[C@H]1CN(CC(=O)N1)CC(C)(C)O 582b3f21fa0235a4204902d1cba28a64 [0,1,0,1,0,0|2,0,0]=4 3122 B13R1.3846 C=C1CC(C1)(C)COCC(C)(C)O 45f3f615ab6c5648f608c731c963a504 [0,1,0,1,0,0|2,0,0]=4 3123 B13R1.3846 CC(C)(C)COCC1(CC(=O)C1)C 782164ae911616146fc84d0476e78cd1 [0,1,0,1,0,0|2,0,0]=4 3124 B13R1.3846 CC(C)(F)COCC1(CC(=O)C1)C f0fb5f69a8ef8ee5e7ca9eb6ccca2ee8 [0,1,0,1,0,0|2,0,0]=4 3125 B13R1.3846 CC(C)(O)COCC1(CC(=O)C1)C 5cc71a7e8b6ef339e9e135a0c21e5e65 [0,1,0,1,0,0|1,0,0]=3 3126 B13R1.3861 C[C@@H]1CN([C@@H]1C(=O)O)CC(C)(C)C d82fc99bde02ee32213d4ce944820019 [0,1,0,1,0,0|2,0,0]=4 3127 B13R1.3861 C[C@@H]1CN([C@@H]1C(=O)O)CC(C)(C)F 24482f328ce88e1328558029d3369930 [0,1,0,1,0,0|2,0,0]=4 3128 B13R1.3861 C[C@@H]1CN([C@@H]1C(=O)O)CC(C)(C)O cab10cbaa30e2421f55e88926dcb0089 [0,1,0,1,0,0|1,0,0]=3 3129 B13R1.4201 CC(=O)OC(C)NC1CC(C1)(C)O 65f749b2f051e5721eea3723185b77c3 [0,1,0,1,0,0|2,0,0]=4 3130 B13R1.4201 CC(=O)OC(C)N[C@H]1C[C@@](C1)(C)O 9861a56d7773ada984a6da773427b90c [0,1,0,1,0,0|2,0,0]=4 3131 B13R1.4201 CC(CC(=O)N)OC1CC(C1)(C)C d74d62ee3e849ba5cf812551505d2437 [0,1,0,1,0,0|2,0,0]=4 3132 B13R1.4201 CC(CC(=O)O)NC1CC(C1)(C)C d6403a7f3ea285c309275bd60a05013d [0,1,0,1,0,0|2,0,0]=4 3133 B13R1.4201 CC(CC(=O)O)NC1CC(C1)(C)O fd4394f33ed32cd2a770f39451dbbfe4 [0,1,0,1,0,0|1,0,0]=3 3134 B13R1.4201 CC(CC(=O)O)N[C@H]1C[C@@](C1)(C)O 6f06a0a355242d51b4d8144a0e151215 [0,1,0,1,0,0|1,0,0]=3 3135 B13R1.4201 CC(CC(=O)O)OC1CC(C1)(C)C 6c04d846e53fbb6ff1fac72f8832feb6 [0,1,0,1,0,0|2,0,0]=4 3136 B13R1.4201 CN(CC(=O)N)CC1CC(C1)(C)C b5da87bc6ccf315a93f88c9e90b1e67c [0,1,0,1,0,0|2,0,0]=4 3137 B13R1.4201 CN(CC(=O)O)CC1CC(C1)(C)C 2f14a1f5a48a1dcc5916eed1eb10a945 [0,1,0,1,0,0|2,0,0]=4 3138 B13R1.4201 C[C@@H](CC(=O)O)NC1CC(C1)(C)C 6b518e44726ada2586e7f4505bb9132f [0,1,0,1,0,0|2,0,0]=4 3139 B13R1.4201 C[C@H](CC(=O)O)NC1CC(C1)(C)C 2ebeb833cd173c6db9d00181da0355b1 [0,1,0,1,0,0|2,0,0]=4 3140 B13R1.7459 CC(CC(=O)O)NC[C@@H]1CC1(C)C f7e7fb7918354b85062139bb4581e876 [0,1,0,1,0,0|2,0,0]=4 3141 B13R1.7459 CC(CC(=O)O)NC[C@H]1CC1(C)C 54c421ee12c3fbbba116d3d08638fe65 [0,1,0,1,0,0|2,0,0]=4 3142 B13R1.7459 CC(CC(=O)O)OCC1CC1(C)C e0c4f96d3f95d7d1481b5dd75b16e722 [0,1,0,1,0,0|2,0,0]=4 3143 B13R1.7459 CC(CC(=O)O)OC[C@@H]1CC1(C)C b8564d19f9b65179ee0cb5f9dbe3767a [0,1,0,1,0,0|2,0,0]=4 3144 B13R1.7459 CC(CC(=O)O)OC[C@H]1CC1(C)C a2aa90628a1a2ed82bd63a5bbf2c9caf [0,1,0,1,0,0|2,0,0]=4 3145 B13R1.7459 CC(CCN1CC1(C)C)CC(=O)O d064367baaf70fa5659f29ae1699a489 [0,1,0,1,0,0|2,0,0]=4 3146 B13R1.7463 CC(=O)OC(C)N1CCC(C1)(C)O 2625386ae14521f8cb6a56f92bbb0b8a [0,1,0,1,0,0|2,0,0]=4 3147 B13R1.7463 CC(=O)OC(C)N1CC[C@@](C1)(C)O ed01d2cb14effa57c8e7f6cf0dde5a3b [0,1,0,1,0,0|2,0,0]=4 3148 B13R1.7463 CC(=O)OC(C)N1CC[C@](C1)(C)O 5dc433957c06d16def3984e47538113e [0,1,0,1,0,0|2,0,0]=4 3149 B13R1.7463 CC(CC(=O)O)N1CCC(C1)(C)C 42a7dd7cf563b84f649fcb110926af9f [0,1,0,1,0,0|2,0,0]=4 3150 B13R1.7463 CC(CC(=O)O)N1CCC(C1)(C)F 2d33206941adf784e9901ff23769cec7 [0,1,0,1,0,0|2,0,0]=4 3151 B13R1.7463 CC(CC(=O)O)N1CCC(C1)(C)O 65b7cd1d95b5c76a86baa4309a2cbab9 [0,1,0,1,0,0|1,0,0]=3 3152 B13R1.7463 CC(CC(=O)O)N1CC[C@@](C1)(C)O a7bee49042ad65afeb386cb009d3345d [0,1,0,1,0,0|1,0,0]=3 3153 B13R1.7463 CC(CC(=O)O)N1CC[C@](C1)(C)O aa3bb3b31fae09966bd02bdbb4450492 [0,1,0,1,0,0|1,0,0]=3 3154 B13R1.7463 CN(CC(=O)N)C1CCC(C1)(C)C 3aaabacd71b6e4145e8438feae77569f [0,1,0,1,0,0|2,0,0]=4 3155 B13R1.7463 CN(CC(=O)O)C1CCC(C1)(C)C 174084e08daa0fb16b8fd1956c25560c [0,1,0,1,0,0|2,0,0]=4 3156 B13R1.7867 CC(C)(O)CCNC1CS(=O)(=O)C1 b9bdc1ed738648c93b788321408681c7 [0,1,0,1,0,0|2,0,0]=4 3157 B13R1.7867 CC(C)(O)CCOC1CS(=O)(=O)C1 ece8d4fb93fb61964337a1fadc1146ea [0,1,0,1,0,0|2,0,0]=4 3158 B13R1.7867 CC(C)(O)CNCC1CS(=O)(=O)C1 4b5fab70ad8f134a3472527697e3ab70 [0,1,0,1,0,0|2,0,0]=4 3159 B13R1.7867 CC(C)(O)COCC1CS(=O)(=O)C1 516d28b6f15627328fb6291625c5db17 [0,1,0,1,0,0|2,0,0]=4 3160 B13R1.8833 C=C(Br)CN1CCCC(CC1)(C)O 3c7c84f761e474d9d027630365b39a07 [0,1,0,1,0,0|2,0,0]=4 3161 B13R1.8833 C=C(C)CN1CCCC(CC1)(C)O 599c7cfe3d59ab729d52b0e8ef4a9b34 [0,1,0,1,0,0|2,0,0]=4 3162 B13R1.8833 C=C(Cl)CN1CCCC(CC1)(C)O 80535ebb5e8d26d6b9161ab1b3b18e1b [0,1,0,1,0,0|2,0,0]=4 3163 B13R1.8833 C=C(F)CN1CCCC(CC1)(C)O e76729e1badcc5ef27db41d4c28c8a77 [0,1,0,1,0,0|2,0,0]=4 3164 B13R1.8833 CC1(CCCN(CC1)CC(=O)N)C ba45af5042e7b2744236650b03559361 [0,1,0,1,0,0|2,0,0]=4 3165 B13R1.8833 CC1(CCCN(CC1)CC(=O)N)O 4711a42af0a451ccc329534bbfa46878 [0,1,0,1,0,0|1,0,0]=3 3166 B13R1.8833 CC1(CCCN(CC1)CC(=O)O)C 1d3a8a0413a8cf538e2c9b0be2c2a844 [0,1,0,1,0,0|2,0,0]=4 3167 B13R1.8833 CC1(CCCN(CC1)CC(=O)O)O 3214651ffc089bc7395b095fdfce0822 [0,1,0,1,0,0|1,0,0]=3 3168 B13R1.8833 CC1(CCCN(CC1)C[N+](=O)[O-])O 32b769dcac072442cb218c93e972fd24 [0,1,0,1,0,0|2,0,0]=4 3169 B13R1.8856 CC(=O)OC(C)NCCC1(CC1)O b90fee18eceffb90b4ea58dbe3dff9a9 [0,1,0,1,0,0|2,0,0]=4 3170 B13R1.8856 CC(CC(=O)O)NCCC1(CC1)O b2ba48fccd65f15895df2477bc8065eb [0,1,0,1,0,0|1,0,0]=3 3171 B13R1.8856 CC(CCNC1(CC1)C)CC(=O)O c9542d63e0ce6a54c9f2acf1b49aa143 [0,1,0,1,0,0|2,0,0]=4 3172 B13R1.1116 CC(C)(O)CC(O)CN1CC=CC1 48a43dc2aa08cc5f72f5441e3d26cc61 [0,1,0,1,0,0|2,0,0]=4 3173 B13R1.1116 CN(CC1CC=CC1)CC(C)(C)O 92342b3b5b066696c8725db24736fece [0,1,0,1,0,0|2,0,0]=4 3174 B13R1.2096 CC(CC(C)(C)C)OC1CC1C=O 96a524a6d02448a4854de4dfb0f5159d [0,1,0,1,0,0|2,0,0]=4 3175 B13R1.2096 CC(CC(C)(C)S)OC1CC1C=O 217c254698d270c13cdd73607e544c97 [0,1,0,1,0,0|1,1,0]=4 3176 B13R1.3868 C=C1CC(C1)CN(C)CC(C)(C)O 09e2a12f1083ed3ea201c044218691fe [0,1,0,1,0,0|2,0,0]=4 3177 B13R1.3868 CN(CC1CC(=O)C1)CC(C)(C)C ab14c0ace8256ed44dfcdf8b49e758a8 [0,1,0,1,0,0|2,0,0]=4 3178 B13R1.3868 CN(CC1CC(=O)C1)CC(C)(C)O 8599d2aecd6f5bf79e0958e7f4f63b21 [0,1,0,1,0,0|1,0,0]=3 3179 B13R1.3868 CN(CC1CC(=O)N1)CC(C)(C)O 2beebf75e148c32f45bd17f036916902 [0,1,0,1,0,0|2,0,0]=4 3180 B13R1.3868 CN(CC1CC(=O)O1)CC(C)(C)O 51bc2cc03a52b27aefd7f36a6803259a [0,1,0,1,0,0|2,0,0]=4 3181 B13R1.535 C=CC(C)N1CCC(C1)C(C)(C)O d4fa1e3a76002391a65fcfc4715e188e [0,1,0,1,0,0|2,0,0]=4 3182 B13R1.535 C=CC(C)N1CC[C@@H](C1)C(C)(C)O ec714679920c9cb15b75e94628165549 [0,1,0,1,0,0|2,0,0]=4 3183 B13R1.535 C=CC(C)N1CC[C@H](C1)C(C)(C)O c19851a6a164fd2d67cdb16e764630ef [0,1,0,1,0,0|2,0,0]=4 3184 B13R1.535 CC(C)(O)C1CCN(C1)C(=O)C=O 124ac2af9b92a8024ba2cf1454b35a3f [0,1,0,1,0,0|1,0,1]=4 3185 B13R1.535 CC(C)(O)[C@@H]1CCN(C1)C(=O)C=O f3c8b51ec753e8fd8afb69aa7c7d8cda [0,1,0,1,0,0|1,0,1]=4 3186 B13R1.535 CC(C)(O)[C@H]1CCN(C1)C(=O)C=O ed078463861ea1a33367a624b9323fbc [0,1,0,1,0,0|1,0,1]=4 3187 B13R1.535 CC(C=O)N1CCC(C1)C(C)(C)O efbab7db392ee86a7ff82d9fc2b5dcd5 [0,1,0,1,0,0|1,0,0]=3 3188 B13R1.535 CC(C=O)N1CC[C@@H](C1)C(C)(C)O 9b263b6475a52462c6b7bfa6198d6444 [0,1,0,1,0,0|1,0,0]=3 3189 B13R1.535 CC(C=O)N1CC[C@H](C1)C(C)(C)O 705bb0309e3744aab3d6a3d53c23e4b1 [0,1,0,1,0,0|1,0,0]=3 3190 B13R1.535 C[C@H](C=O)N1CCC(C1)C(C)(C)O 3e90c6a6b9ee0995d150933babda2762 [0,1,0,1,0,0|1,0,0]=3 3191 B13R1.535 C[C@H](C=O)N1CC[C@@H](C1)C(C)(C)O ae0d9a904ace7eaa2baa2ff98db852f8 [0,1,0,1,0,0|1,0,0]=3 3192 B13R1.535 C[C@H](C=O)N1CC[C@H](C1)C(C)(C)O 310d6f60d6ce71fc4aaa1affc245544c [0,1,0,1,0,0|1,0,0]=3 3193 B13R1.4648 C=CC(C)N1CCCC(CC1)(C)O 090784b9d341b585f51850fc57e933b7 [0,1,0,1,0,0|2,0,0]=4 3194 B13R1.4648 CC(C=O)N1CCCC(CC1)(C)C 726f1f770fdd5638fd61f8528acfe1ab [0,1,0,1,0,0|2,0,0]=4 3195 B13R1.4648 CC(C=O)N1CCCC(CC1)(C)O 4c3d0beafc8dc48d7a2faa2a36b7bc3e [0,1,0,1,0,0|1,0,0]=3 3196 B13R1.4648 CC1(CCCN(CC1)C(=O)C=O)O a2d4ba9efa5011081c9a392db01f40cb [0,1,0,1,0,0|1,0,1]=4 3197 B13R1.4648 C[C@H](C=O)N1CCCC(CC1)(C)C 524095c76c4c5b5da14ee05318bb171c [0,1,0,1,0,0|2,0,0]=4 3198 B13R1.4648 C[C@H](C=O)N1CCCC(CC1)(C)O ef3d6ad3443e591ab32abfebf51c9f26 [0,1,0,1,0,0|1,0,0]=3 3199 B13R1.496 C/C=C/CN1CCC(C1)C(C)(C)O d06c25e55b1fd7b1a7260b58d9687d92 [0,1,0,1,0,0|2,0,0]=4 3200 B13R1.496 C/C=C/CN1CC[C@@H](C1)C(C)(C)O 5634c48c0146dc5deeebedbfe1f370fb [0,1,0,1,0,0|2,0,0]=4 3201 B13R1.496 C/C=C/CN1CC[C@H](C1)C(C)(C)O 7f5fc127131c87fbeecbbb0c2641f27c [0,1,0,1,0,0|2,0,0]=4 3202 B13R1.496 C/C=C\CN1CCC(C1)C(C)(C)O 03bcb545b374dbfde7e24f43d17a9fd4 [0,1,0,1,0,0|2,0,0]=4 3203 B13R1.496 C/C=C\CN1CC[C@@H](C1)C(C)(C)O 745ba73d335fb8f9d68619c183b92b1c [0,1,0,1,0,0|2,0,0]=4 3204 B13R1.496 C/C=C\CN1CC[C@H](C1)C(C)(C)O b4e2cfb1e1a1aed20dc85c113fb899cc [0,1,0,1,0,0|2,0,0]=4 3205 B13R1.496 C=CCCN1CCC(C1)C(C)(C)O cbe9c15698daf81a8472d33040d6ca0f [0,1,0,1,0,0|2,0,0]=4 3206 B13R1.496 C=CCCN1CC[C@@H](C1)C(C)(C)O aa351d7a1666373e493a7d97be905a38 [0,1,0,1,0,0|2,0,0]=4 3207 B13R1.496 C=CCCN1CC[C@H](C1)C(C)(C)O e662ff1ba42695bc1ed38797946eb96b [0,1,0,1,0,0|2,0,0]=4 3208 B13R1.496 CC(C)(C)N1CCC(C1)CNC=O 6e5e8728695efa5b870da385c50acf6a [0,1,0,1,0,0|2,0,0]=4 3209 B13R1.496 CC(C)(C)N1CCC(C1)NCC=O dbbf1ef9d80d63910cf8f842798c53b7 [0,1,0,1,0,0|2,0,0]=4 3210 B13R1.496 CC(C)(C)N1CC[C@@H](C1)NCC=O b1a2de2bc74e7f799ea9be3134fe9a48 [0,1,0,1,0,0|2,0,0]=4 3211 B13R1.496 CC(C)(O)C1CCN(C1)C/C=C/Cl 0faf7572f8dbdec49582275129acb772 [0,1,0,1,0,0|2,0,0]=4 3212 B13R1.496 CC(C)(O)C1CCN(C1)C/C=C\Cl 424d131c3df223edc1de688e0c58ad0b [0,1,0,1,0,0|2,0,0]=4 3213 B13R1.496 CC(C)(O)C1CCN(C1)C/C=C\O bdb36e0e4cf3ffd81cb31205b2282312 [0,1,0,1,0,0|1,0,1]=4 3214 B13R1.496 CC(C)(O)C1CCN(C1)CCC=O 873eb3267b9223710ee0245cbfe92680 [0,1,0,1,0,0|1,0,0]=3 3215 B13R1.496 CC(C)(O)[C@@H]1CCN(C1)C/C=C/Cl 85dfa41660b5cda90b5ad8f1b1cac913 [0,1,0,1,0,0|2,0,0]=4 3216 B13R1.496 CC(C)(O)[C@@H]1CCN(C1)C/C=C\Cl da4417c5b8d4ca4778c7b021363ff1e7 [0,1,0,1,0,0|2,0,0]=4 3217 B13R1.496 CC(C)(O)[C@@H]1CCN(C1)C/C=C\O a780743ad14d9d1949c60adcae8d6a6a [0,1,0,1,0,0|1,0,1]=4 3218 B13R1.496 CC(C)(O)[C@@H]1CCN(C1)CCC=O 8b327435e6ff70ff1c4a255465c1157a [0,1,0,1,0,0|1,0,0]=3 3219 B13R1.496 CC(C)(O)[C@H]1CCN(C1)C/C=C/Cl 7d0d2f445e21daa7193a80ea0b7fe607 [0,1,0,1,0,0|2,0,0]=4 3220 B13R1.496 CC(C)(O)[C@H]1CCN(C1)C/C=C\Cl 062a906e8baeb4874005c4d09112be22 [0,1,0,1,0,0|2,0,0]=4 3221 B13R1.496 CC(C)(O)[C@H]1CCN(C1)C/C=C\O 0c33a9232f58e5495697d76846b4cce3 [0,1,0,1,0,0|1,0,1]=4 3222 B13R1.496 CC(C)(O)[C@H]1CCN(C1)CCC=O b0216fa6a7e662cee452feae527af74b [0,1,0,1,0,0|1,0,0]=3 3223 B13R1.634 CC(C)(Br)COCC1CC(C1)C=O eae4ab3cff5ebe1a5533c65189a5f463 [0,1,0,1,0,0|2,0,0]=4 3224 B13R1.634 CC(C)(C)CNCC1CC(C1)C=O f11481d5c40c37d07c0b28fc8bf0af20 [0,1,0,1,0,0|2,0,0]=4 3225 B13R1.634 CC(C)(C)COCC1CC(C1)C=O d02ed08c08b860835ecfe8bb9b77bc0d [0,1,0,1,0,0|2,0,0]=4 3226 B13R1.634 CC(C)(F)COCC1CC(C1)C=O 58da095f21dbe57a7d801b97e3ee57a0 [0,1,0,1,0,0|2,0,0]=4 3227 B13R1.634 CC(C)(O)CNCC1CC(C1)C=O 73bd54e30a3e4b0a1e317bd15170f511 [0,1,0,1,0,0|1,0,0]=3 3228 B13R1.634 CC(C)(S)COCC1CC(C1)C=O 0af16aec71e38cf108aa12e105a17414 [0,1,0,1,0,0|1,1,0]=4 3229 B13R1.1651 C/C=C/CN1CCCC(CC1)(C)O 286f9315ef3e1f8beb5f25e68c0313cd [0,1,0,1,0,0|2,0,0]=4 3230 B13R1.1651 C/C=C\CN1CCCC(CC1)(C)O 05e6cc0c09e8051b89777b14c6f18c4a [0,1,0,1,0,0|2,0,0]=4 3231 B13R1.1651 C=CCCN1CCCC(CC1)(C)O ffe530b8297105e126e8ce00a351f6e6 [0,1,0,1,0,0|2,0,0]=4 3232 B13R1.1651 CC1(CCCN(CC1)C/C=C/Cl)O b44864e8c366c69f1ff708f999555152 [0,1,0,1,0,0|2,0,0]=4 3233 B13R1.1651 CC1(CCCN(CC1)C/C=C\Cl)O d32ec1ed0f9825e99a8e8d1e533c01b5 [0,1,0,1,0,0|2,0,0]=4 3234 B13R1.1651 CC1(CCCN(CC1)C/C=C\O)O d6486d211fb6f73f3a1c7eff22819358 [0,1,0,1,0,0|1,0,1]=4 3235 B13R1.1651 CC1(CCCN(CC1)CCC=O)C 98cadf7311c707638f7ae4ad99eee108 [0,1,0,1,0,0|2,0,0]=4 3236 B13R1.1651 CC1(CCCN(CC1)CCC=O)O bbac4dccf20b5fb217378c421e844e11 [0,1,0,1,0,0|1,0,0]=3 3237 B13R1.2506 C=CCCC(C)N1CCC(C1)(C)O 99ebc2201593696af89aa52e733bd22a [0,1,0,1,0,0|2,0,0]=4 3238 B13R1.2506 C=CCCC(C)N1CC[C@@](C1)(C)O 1a30350fcbc44bd9e3ae8e0ab216256c [0,1,0,1,0,0|2,0,0]=4 3239 B13R1.2506 C=CCCC(C)N1CC[C@](C1)(C)O 8c973c6a7b21a79994efd7bd7201f9b8 [0,1,0,1,0,0|2,0,0]=4 3240 B13R1.2549 C=CCCC(C)NC1CC(C1)(C)O d4c5c883eae2bb5ec0176955ca82434d [0,1,0,1,0,0|2,0,0]=4 3241 B13R1.2549 C=CCCC(C)N[C@H]1C[C@@](C1)(C)O 9803623ea8cb7789ffbe90f270cdf52d [0,1,0,1,0,0|2,0,0]=4 3242 B13R1.3523 CC(C)(O)CCCN1CC=CCC1 354e8d49446a4c978bc988f4a8f93730 [0,1,0,1,0,0|2,0,0]=4 3243 B13R1.3523 CC(C)(O)CCOC1CC=CCC1 5410b013933d45fd4aa2896b6b071b79 [0,1,0,1,0,0|2,0,0]=4 3244 B13R1.3523 CC(C)(O)CNCC1CC=CCC1 5e4054efdfe1d3d3529320504e863328 [0,1,0,1,0,0|2,0,0]=4 3245 B13R1.3523 CC(C)(O)COCC1CC=CCC1 f77c63cea1d95dfb2a9d6d5e61b62110 [0,1,0,1,0,0|2,0,0]=4 3246 B13R1.3523 CC(C)(O)COC[C@@H]1CC=CCC1 341e6136838e1ea0635e709f8cfd3ab1 [0,1,0,1,0,0|2,0,0]=4 3247 B13R1.3523 CC(C)(O)COC[C@H]1CC=CCC1 593f962caea22f39b48704880f5d7cc4 [0,1,0,1,0,0|2,0,0]=4 3248 B13R1.3530 CC(C)(O)CN[C@@H]1C(=O)NC[C@H]1O 68dc99578635d28760b6b9b6f8a08282 [0,1,0,1,0,0|2,0,0]=4 3249 B13R1.3530 CC(C)(O)CN[C@@H]1C(=O)OC[C@@H]1O a194f578807239c567e16685a9ed5f04 [0,1,0,1,0,0|2,0,0]=4 3250 B13R1.3603 C=CCCC(C)NCCC1(CC1)O 48b14ce0790a391f9cf1e6fd693c2402 [0,1,0,1,0,0|2,0,0]=4 3251 B13R1.3822 CC(C)(O)CCNC1(CC=CC1)C d334f45fd89898e56f8be5fea3b28d6a [0,1,0,1,0,0|2,0,0]=4 3252 B13R1.6422 CC1(CCCC(C1)(C)CNC=O)C 12f5240a90cc2e67b3c0a62ae689371c [0,1,0,1,0,0|1,0,0]=3 3253 B13R1.2291 CN(CCC(C)(C)C)C1CC1C=O 93e1ef7b70752f02fc0cc14d5408c52a [0,1,0,1,0,0|2,0,0]=4 3254 B13R1.2291 CN(CCC(C)(C)O)C1CC1C=O 80d54e553a2b2adc0f1a73976d829abb [0,1,0,1,0,0|1,0,0]=3 3255 B13R1.2780 CN(CCC(C)(C)O)C1CC=CC1 7453f5254a04a63548d0ff3a39e2a16c [0,1,0,1,0,0|2,0,0]=4 3256 B13R1.3842 C=C1CC(C1)C(C)OCC(C)(C)O 014eb6f61cff7f17127b23050c00448c [0,1,0,1,0,0|2,0,0]=4 3257 B13R1.3842 CC(OCC(C)(C)C)C1CC(=O)C1 c117f37ae2dc177d6a251aef0dee5f5f [0,1,0,1,0,0|2,0,0]=4 3258 B13R1.3842 CC(OCC(C)(C)F)C1CC(=O)C1 7c2b3a0ab20a089458b04b20551d4e97 [0,1,0,1,0,0|2,0,0]=4 3259 B13R1.3842 CC(OCC(C)(C)O)C1CC(=O)C1 33384b327f445d7e8267dca88130cec9 [0,1,0,1,0,0|1,0,0]=3 3260 B13R1.3842 CN(CCC(C)(C)C)C1CC(=O)C1 186c5af2d266edb1dcc0b1e307f35841 [0,1,0,1,0,0|2,0,0]=4 3261 B13R1.3842 CN(CCC(C)(C)O)C1CC(=O)C1 c681e3afefc55d2036df73753d5a62ca [0,1,0,1,0,0|1,0,0]=3 3262 B13R1.3958 CC1(OC[C@@H]([C@H](CO1)O)NC=O)C 7ab8c6fc50defeb68e2bba4096422091 [0,1,0,1,0,0|2,0,0]=4 3263 B13R1.252 CC(C)(CO)CNCC1CC=CC1 c5139e0697c8cd4aa93dbaacfbdea5d8 [0,1,0,1,0,0|2,0,0]=4 3264 B13R1.252 CCC(C)(O)CNCC1CC=CC1 fa672ab68e0a8e41694017cb93b11903 [0,1,0,1,0,0|2,0,0]=4 3265 B13R1.252 COC(C)(C)CNCC1CC=CC1 dc905ee3025e9fb19bc428dd11472fd9 [0,1,0,1,0,0|2,0,0]=4 3266 B13R1.252 COC(C)(C)COCC1CC=CC1 014e8c7f1709ff45db46fed4f2935806 [0,1,0,1,0,0|2,0,0]=4 3267 B13R1.269 C#CC(C)(C)COCC1CC(=O)C1 24d9fd43115898d250dbeeb4eb7f58b6 [0,1,0,1,0,0|2,0,0]=4 3268 B13R1.269 C=C1CC(C1)CNCC(C)(C)CO 11d4ba28d1a874885d0bfcefd166f5a4 [0,1,0,1,0,0|2,0,0]=4 3269 B13R1.269 C=C1CC(C1)CNCC(C)(C)OC bd990c43e4f1275e18f91c80c6a0012d [0,1,0,1,0,0|2,0,0]=4 3270 B13R1.269 C=C1CC(C1)CNCC(C)(O)CC b9d7f825947d03f6720909f58b00526c [0,1,0,1,0,0|2,0,0]=4 3271 B13R1.269 C=C1CC(C1)COCC(C)(C)OC f87bd823fa832266fba45e8fdbb0b73e [0,1,0,1,0,0|2,0,0]=4 3272 B13R1.269 C=CC(C)(C)COCC1CC(=O)C1 058b10ceb65a3593f35546b09fb06a4b [0,1,0,1,0,0|2,0,0]=4 3273 B13R1.269 CC(C)(C#N)CCOC1CC(=O)C1 e1a0df42b36a9143224ed8139c882f3a [0,1,0,1,0,0|2,0,0]=4 3274 B13R1.269 CC(C)(C#N)CNCC1CC(=O)C1 b6883c1812c13c08772ae6b4ddbd6a2c [0,1,0,1,0,0|2,0,0]=4 3275 B13R1.269 CC(C)(C#N)COCC1CC(=O)C1 ec46ab37504e069564c2d5e7a2de63c0 [0,1,0,1,0,0|2,0,0]=4 3276 B13R1.269 CC(C)(C=O)COCC1CC(=O)C1 f4149632c2709c3a450c4be75a58925c [0,1,0,1,0,0|1,0,1]=4 3277 B13R1.269 CC(C)(CF)CNCC1CC(=O)C1 12ff0e941dfc07bfae703870aa1a4b5f [0,1,0,1,0,0|2,0,0]=4 3278 B13R1.269 CC(C)(CF)COCC1CC(=O)C1 b8b41b9b8b30964745dab400b674ba30 [0,1,0,1,0,0|2,0,0]=4 3279 B13R1.269 CC(C)(CO)CNCC1CC(=O)C1 4f73e9b19ec758c5ac6c13e7a70ca7f4 [0,1,0,1,0,0|1,0,0]=3 3280 B13R1.269 CC(C)(CO)CNCC1CC(=O)N1 a190ca344e30d26d18e94476e66bed00 [0,1,0,1,0,0|2,0,0]=4 3281 B13R1.269 CC(C)(CO)CNCC1CC(=O)O1 fd3cbade8424e473f9c4ee2171634e64 [0,1,0,1,0,0|2,0,0]=4 3282 B13R1.269 CCC(C)(C)CCOC1CC(=O)C1 d0a78e9dda884c6004bf25810e66b302 [0,1,0,1,0,0|2,0,0]=4 3283 B13R1.269 CCC(C)(C)CNCC1CC(=O)C1 b51da55cf0eb845d1b6cd7b2a0d23f20 [0,1,0,1,0,0|2,0,0]=4 3284 B13R1.269 CCC(C)(O)CNCC1CC(=O)C1 7315c7342733e73d90350b28d676daa5 [0,1,0,1,0,0|1,0,0]=3 3285 B13R1.269 CCC(C)(O)CNCC1CC(=O)N1 3af76ff24a5974773e85d83e67cb960d [0,1,0,1,0,0|2,0,0]=4 3286 B13R1.269 CCC(C)(O)CNCC1CC(=O)O1 4b71bc8e4012ef77d7e58b0ff3ad5920 [0,1,0,1,0,0|2,0,0]=4 3287 B13R1.269 COC(C)(C)CCNC1CC(=O)C1 8098dcf7d3fb8cb350973f154deee562 [0,1,0,1,0,0|1,0,0]=3 3288 B13R1.269 COC(C)(C)CCOC1CC(=O)C1 8dea9101e36265c158efdf51f16e04de [0,1,0,1,0,0|1,0,0]=3 3289 B13R1.269 COC(C)(C)CNCC1CC(=O)C1 5f1944dfbc7964ac0021fbbf33869cee [0,1,0,1,0,0|1,0,0]=3 3290 B13R1.269 COC(C)(C)CNCC1CC(=O)N1 f49e27f363ee8432fc48d3c97e8c2a91 [0,1,0,1,0,0|2,0,0]=4 3291 B13R1.269 COC(C)(C)CNCC1CC(=O)O1 17eebb4cd88dfc32603504405b3bc3c3 [0,1,0,1,0,0|2,0,0]=4 3292 B13R1.269 COC(C)(C)COCC1CC(=O)C1 d999468b85bb3f50f4391b1a9db8206c [0,1,0,1,0,0|1,0,0]=3 3293 B13R1.269 COC(C)(C)COCC1CC(=O)N1 56c8b0a4294999e8a2b8ec3f696a43ad [0,1,0,1,0,0|2,0,0]=4 3294 B13R1.269 COC(C)(C)COCC1CC(=O)O1 88fbbf78f46eaca43b4f89617e98df73 [0,1,0,1,0,0|2,0,0]=4 3295 B13R1.269 COC(C)(C)COC[C@@H]1CC(=O)N1 a5f05f0f9a5e42517a2b558f0c9af3f7 [0,1,0,1,0,0|2,0,0]=4 3296 B13R1.269 COC(C)(C)COC[C@H]1CC(=O)N1 a24068b84102837ad2ed769e0934ea26 [0,1,0,1,0,0|2,0,0]=4 3297 B13R1.2268 CC(C)(C#N)CCOC1CC1C=O 94eb8b96f76503e6b7532c61913834c7 [0,1,0,1,0,0|2,0,0]=4 3298 B13R1.2268 COC(C)(C)CCNC1CC1C=O 552a9f7fb28679365450942656a8bc3b [0,1,0,1,0,0|1,0,0]=3 3299 B13R1.2268 COC(C)(C)CCOC1CC1C=O aa8d95a030f8a3a3d4723a2684269777 [0,1,0,1,0,0|1,0,0]=3 3300 B13R1.2554 C=CCC(C)CNCC1(CCC1)O 37626e3c288a5e50273d25eec13b4c6f [0,1,0,1,0,0|2,0,0]=4 3301 B13R1.2554 C=CCC(C)CNCC1(CCO1)C 3ce82b73fbe2612e5c9cec71dc3dc291 [0,1,0,1,0,0|2,0,0]=4 3302 B13R1.2554 C=CCC(C)CNCC1(COC1)C e71cdaf573921d5c48f522cede3eefb5 [0,1,0,1,0,0|2,0,0]=4 3303 B13R1.2554 C=CCC(C)CNCC1(COC1)O 2b8011694d47165c4fe701cf36fab399 [0,1,0,1,0,0|2,0,0]=4 3304 B13R1.2554 C=CCC(C)CNC[C@@]1(CCO1)C f8909634c55ceb912ae69081465e0114 [0,1,0,1,0,0|2,0,0]=4 3305 B13R1.2554 C=CCC(C)COCC1(CCO1)C bb1b6297631f41444536049de88cc099 [0,1,0,1,0,0|2,0,0]=4 3306 B13R1.2554 C=CCC(C)COCC1(COC1)C ea8ff4d230e88a375e7e9acf2e5b0144 [0,1,0,1,0,0|2,0,0]=4 3307 B13R1.2554 C=CCC(C)COC[C@@]1(CCO1)C 6b4b93f7a503c383fb6a271011d0f419 [0,1,0,1,0,0|2,0,0]=4 3308 B13R1.2554 C=CCC(C)COC[C@]1(CCO1)C 1573d76be1a6c621f2cd79db9318b0de [0,1,0,1,0,0|2,0,0]=4 3309 B13R1.4126 CC1CC(C(=O)O1)NC(C)(C)CO e8f1bfdd7dd6f847929e49fbc63deb96 [0,1,0,1,0,0|2,0,0]=4 3310 B13R1.4568 C=CCC(C)CN1CC(C1)(C)CO 680d4e9e354b92d06124ae74e82bc41c [0,1,0,1,0,0|2,0,0]=4 3311 B13R1.4568 C=CCC(C)CN1CC(C1)(C)OC 89d912be65620e3ac74fb0b19a78e052 [0,1,0,1,0,0|2,0,0]=4 3312 B13R1.5525 C=CCC(C)CNCC1(CC1)CO 26cf9818c6abfe82e154e210a364a8ac [0,1,0,1,0,0|2,0,0]=4 3313 B13R1.5525 C=CCC(C)COCC1(CC1)OC 4c435116b9254b600e82e6f5b8cda671 [0,1,0,1,0,0|2,0,0]=4 3314 B13R2.12402 CC1(CC2(C1)CN(C2)CC=O)C 9272f6a8a419446140a8447b23ea7fad [0,0,0,2,0,0|2,0,0]=4 3315 B13R2.3841 C=C1CC(C1)CNCC2(CC2)O 430bf64f62fb9b0fcc234afe14616402 [0,0,0,2,0,0|2,0,0]=4 3316 B13R2.3841 CC1(CC1)COCC2CC(=O)C2 ef78a0079f1f13637fdb23a084f9e355 [0,0,0,2,0,0|2,0,0]=4 3317 B13R2.3841 O=C1CC(C1)CNCC2(CC2)F 44ea760d11bd09dc50b2f8d37a489bb5 [0,0,0,2,0,0|2,0,0]=4 3318 B13R2.3841 O=C1CC(C1)CNCC2(CC2)O 936fd0f0600af97262fc37e44c0a59d2 [0,0,0,2,0,0|1,0,0]=3 3319 B13R2.3841 O=C1CC(C1)COCC2(CC2)Br 9bc0e533dfec3324a8b76b2b9f3461b8 [0,0,0,2,0,0|2,0,0]=4 3320 B13R2.3841 O=C1CC(C1)COCC2(CC2)Cl 5fb87f3dfabc4bdea6eeef9663ef4156 [0,0,0,2,0,0|2,0,0]=4 3321 B13R2.3841 O=C1CC(C1)COCC2(CC2)F 090d94dc4e79fac5c077a7991da4a33c [0,0,0,2,0,0|2,0,0]=4 3322 B13R2.3841 O=C1CC(N1)CNCC2(CC2)O ae446d728ac70b1e09dc377551921a69 [0,0,0,2,0,0|2,0,0]=4 3323 B13R2.3841 O=C1CC(O1)CNCC2(CC2)O 961ef890fb42f0ae6924a282d0c85ad3 [0,0,0,2,0,0|2,0,0]=4 3324 B13R2.5289 CC1(CC1NCC2CC(=O)C2)C 08d676d7a45bbca574fc9715a0daac18 [0,0,0,2,0,0|2,0,0]=4 3325 B13R2.5289 CC1(CC1OCC2CC(=O)C2)C edd27a1a793d19506e050d545635cd1a [0,0,0,2,0,0|2,0,0]=4 3326 B13R2.5289 CC1(C[C@@H]1NCC2CC(=O)C2)C eccf11bc64b2faa89476a62c6e75c732 [0,0,0,2,0,0|2,0,0]=4 3327 B13R2.5289 CC1(C[C@H]1NCC2CC(=O)C2)C 1d5163ecd559de7d42756b935a012254 [0,0,0,2,0,0|2,0,0]=4 3328 B13R2.5291 C=C1CC(C1)CN2CC(C2)(C)O 784e2d5a6653ac895310df6e6ba505a4 [0,0,0,2,0,0|2,0,0]=4 3329 B13R2.5291 CC1(CC(C1)NC2CC(=O)C2)O 0969b60217af2754568a514b622ed700 [0,0,0,2,0,0|1,0,0]=3 3330 B13R2.5291 CC1(CN(C1)CC2CC(=O)C2)C 7f4d40e26d4fd23b7efcefd2f0dcd169 [0,0,0,2,0,0|2,0,0]=4 3331 B13R2.5291 CC1(CN(C1)CC2CC(=O)C2)O 3f5047f8f2b1c2e997526668d2afabe7 [0,0,0,2,0,0|1,0,0]=3 3332 B13R2.5291 CC1(CN(C1)CC2CC(=O)N2)O 0292abf195cd0f9914ce89b00ec68fa6 [0,0,0,2,0,0|2,0,0]=4 3333 B13R2.5291 CC1(CN(C1)CC2CC(=O)O2)O 1b499c08604270cf24e3d0c3435fd303 [0,0,0,2,0,0|2,0,0]=4 3334 B13R2.5291 C[C@@]1(C[C@H](C1)NC2CC(=O)C2)O 409b7bac2e9a99292df9a40526f560e9 [0,0,0,2,0,0|1,0,0]=3 3335 B13R2.11698 CC1(CCN(C1)C2CC(=O)C2)F da14029a506f9b9597b8828546db1a3a [0,0,0,2,0,0|2,0,0]=4 3336 B13R2.620 CC1(CC1)CCOC2CC2C=O fbe4aee5870d6e739413067fe7d687b6 [0,0,0,2,0,0|2,0,0]=4 3337 B13R2.620 O=CC1CC1NCCC2(CC2)O e5a425f0697e46973ce3dd57a1c3fd74 [0,0,0,2,0,0|1,0,0]=3 3338 B13R2.1416 CC1(CCN(C1)C2CC2C=O)C d189b067c3877a68c0793e0092bc0e0c [0,0,0,2,0,0|2,0,0]=4 3339 B13R2.1416 CC1(CCN(C1)C2CC2C=O)F 90ff4dd6a4265fa0a917bdc1335898cc [0,0,0,2,0,0|2,0,0]=4 3340 B13R2.1416 CC1(CCN(C1)C2CC2C=O)O cce700e934c4fed2506bedca7ebb1d1b [0,0,0,2,0,0|1,0,0]=3 3341 B13R2.1416 C[C@@]1(CCN(C1)C2CC2C=O)O 7db96fe3daf2ce9a6602ba44eb9e692b [0,0,0,2,0,0|1,0,0]=3 3342 B13R2.1416 C[C@]1(CCN(C1)C2CC2C=O)O 04bb48d2eac485ee33ba9c1254bc1211 [0,0,0,2,0,0|1,0,0]=3 3343 B13R2.1928 CC1(CC1COC2CC2C=O)C c5b96e7251d95d6c4dc091aad3c2ea4b [0,0,0,2,0,0|2,0,0]=4 3344 B13R2.1928 CC1(C[C@@H]1CNC2CC2C=O)C 443b6f2d99793b18365e7ee7fee0e022 [0,0,0,2,0,0|2,0,0]=4 3345 B13R2.1928 CC1(C[C@@H]1COC2CC2C=O)C fee4ab0fe139a1bfdf3bbafe1b2e370a [0,0,0,2,0,0|2,0,0]=4 3346 B13R2.1928 CC1(C[C@H]1CNC2CC2C=O)C 13d513aac07525ca67f42ed94e4eb8cb [0,0,0,2,0,0|2,0,0]=4 3347 B13R2.1928 CC1(C[C@H]1COC2CC2C=O)C f13f10d1c85fd801a890989eb40ab8d2 [0,0,0,2,0,0|2,0,0]=4 3348 B13R2.1959 CC1(CC(C1)NC2CC2C=O)O 55869cd38ed0dffea1ee8d09e10f12f9 [0,0,0,2,0,0|1,0,0]=3 3349 B13R2.1959 CC1(CC(C1)OC2CC2C=O)C 2774ae6ba52971903e82dc61b9ed4856 [0,0,0,2,0,0|2,0,0]=4 3350 B13R2.1959 C[C@@]1(C[C@H](C1)NC2CC2C=O)O a7695c2d9992542725923a3b806061ca [0,0,0,2,0,0|1,0,0]=3 3351 B13R2.3205 OC1(CC1)CNCC2CC=CC2 ec2cc21472b1d18499a7d949e4c9cd33 [0,0,0,2,0,0|2,0,0]=4 3352 B13R2.10514 CC1(CN(C1)CC2CC=CC2)O d548da3358dbbea40024b85b31b44cb3 [0,0,0,2,0,0|2,0,0]=4 3353 B13R2.14888 C=CCN(C)CC12CC(C1)(C2)O 561307ed8004170745014e1e2a58c240 [0,0,0,2,0,0|2,0,0]=4 3354 B9R0.48 C=CCC(C)COC(C)C fc0f99fd5c1fda1e556c133e8fb9db21 [1,0,0,0,1,0|2,0,0]=4 3355 B9R0.48 C=CCC(C)OCC(C)C e3417de933793529d47bef6ae7fb87ec [1,0,0,0,1,0|2,0,0]=4 3356 B9R0.48 C=CCN(C)CCC(C)C b8b436287e8ebefcf85fe7df0c39c1bc [1,0,0,0,1,0|2,0,0]=4 3357 B9R0.48 C=CCN(C)CCC(C)O 44d86d9a5c5b6ff5cd8fb1c633fd654b [1,0,0,0,1,0|2,0,0]=4 3358 B9R0.48 C=CC[C@@H](C)OCC(C)C ce5a65308cf16c8b755bfe119532f4f9 [1,0,0,0,1,0|2,0,0]=4 3359 B9R0.48 C=CC[C@H](C)OCC(C)C 48f910ff99dac321abfd4391492c038e [1,0,0,0,1,0|2,0,0]=4 3360 B9R0.48 CC(C)CCC(C)NC=O 0e29263a1badab455d9e9ecb6f4fc6bd [1,0,0,0,1,0|1,0,0]=3 3361 B9R0.48 CC(C)CCN(C)CC=O 63e9028e1872ca734b43a3e2f79564b8 [1,0,0,0,1,0|1,0,0]=3 3362 B9R0.48 CC(CCN(C)C)NC=O 85ac04c2bfc3fcba95d660dd80bebe67 [1,0,0,0,1,0|2,0,0]=4 3363 B9R0.48 CC(O)CCN(C)CC=O 68d5890db2cadede87ecf10404f7c147 [1,0,0,0,1,0|1,0,0]=3 3364 B9R0.48 CN(C)CCN(C)CC=O fab879f9e9a5e94f3bece60139ce985d [1,0,0,0,1,0|2,0,0]=4 3365 B9R0.48 C[C@@H](CCN(C)C)NC=O 5b57fd99dc1bb12d18329d62ec4f7e81 [1,0,0,0,1,0|2,0,0]=4 3366 B9R0.48 C[C@H](CCN(C)C)NC=O 4e8c3bebb153fd5965552aebb697c744 [1,0,0,0,1,0|2,0,0]=4 3367 B9R0.21 C=CC(C)NCC(C)(C)O 862741c0f794a83a4d4392c9af7141e9 [1,0,0,0,1,0|1,0,1]=4 3368 B9R0.21 C=CC(C)OCC(C)(C)O 7fe08c0a8ab5afea49a733ec3e593613 [1,0,0,0,1,0|1,0,1]=4 3369 B9R0.21 C=C[C@H](C)OCC(C)(C)O 2c105538fd00b0454d536c1d6b97f392 [1,0,0,0,1,0|1,0,1]=4 3370 B9R0.21 CC(C=O)NCC(C)(C)C 3838356c7e214c381d0dd4db03444aad [1,0,0,0,1,0|2,0,0]=4 3371 B9R0.21 CC(C=O)NCC(C)(C)O a13894859979fb0a5b794a34400ee308 [1,0,0,0,1,0|1,0,0]=3 3372 B9R0.21 CC(C=O)OCC(C)(C)Br 0b56112ce3de547afed224fa140b0e24 [1,0,0,0,1,0|2,0,0]=4 3373 B9R0.21 CC(C=O)OCC(C)(C)C f9b857e89b3f7c2f1032c1f3405e7fe0 [1,0,0,0,1,0|2,0,0]=4 3374 B9R0.21 CC(C=O)OCC(C)(C)F 9a494567e2524ab6031a878183632632 [1,0,0,0,1,0|2,0,0]=4 3375 B9R0.21 CC(C=O)OCC(C)(C)O 5f52dd56479144f5a1ea86765b0343e2 [1,0,0,0,1,0|1,0,0]=3 3376 B9R0.21 CC(C=O)OCC(C)(C)S 25db606b360e67b647f80b9f0138ff0b [1,0,0,0,1,0|1,1,0]=4 3377 B9R0.21 CC(CF)OCC(C)(C)O 381f904dcbd368831768925eda4ccdbe [1,0,0,0,1,0|2,0,0]=4 3378 B9R0.21 CC(CO)NCC(C)(C)O aaf24e8c0d829aa8209ba08fc8192aa0 [1,0,0,0,1,0|1,0,1]=4 3379 B9R0.21 CC(CS)OCC(C)(C)O fbe54a58ad021bdb060a07ad363d3740 [1,0,0,0,1,0|1,1,0]=4 3380 B9R0.21 CCC(C)NCC(C)(C)O aba34fafe35994e0d517ee431ffd9a9f [1,0,0,0,1,0|1,0,1]=4 3381 B9R0.21 CCC(C)OCC(C)(C)O a9ea2b1e14c4931bb196c9059da7380e [1,0,0,0,1,0|1,0,1]=4 3382 B9R0.21 CCN(C)CCC(C)(C)O 34f0ca543efe285c567edf5e7712a4ad [1,0,0,0,1,0|1,0,1]=4 3383 B9R0.21 CC[C@@H](C)NCC(C)(C)O 966229d52d67d58a4739436737b6261a [1,0,0,0,1,0|1,0,1]=4 3384 B9R0.21 CC[C@@H](C)OCC(C)(C)O ca51c114d8dbc7005ea491e687a9c300 [1,0,0,0,1,0|1,0,1]=4 3385 B9R0.21 CC[C@H](C)NCC(C)(C)O 25791454de8f27753e9f9b905d3678ca [1,0,0,0,1,0|1,0,1]=4 3386 B9R0.21 CC[C@H](C)OCC(C)(C)O 68592e8d00916883495ce7132be519d1 [1,0,0,0,1,0|1,0,1]=4 3387 B9R0.21 CN(C=O)CCC(C)(C)C 28729b9ee27a1bca3590f7c2a9c7079b [1,0,0,0,1,0|2,0,0]=4 3388 B9R0.21 CN(C=O)CCC(C)(C)O 9f278b93d435b174c6624f0adde7d228 [1,0,0,0,1,0|1,0,0]=3 3389 B9R0.21 CN(CF)CCC(C)(C)O a70587be26c44812468a669a56992625 [1,0,0,0,1,0|2,0,0]=4 3390 B9R0.21 CN(CO)CCC(C)(C)O 8aee7cd09e2aa985cca5f51a3220be45 [1,0,0,0,1,0|1,0,1]=4 3391 B9R0.21 C[C@@H](CO)NCC(C)(C)O 15dd465e00415d4e27c84afcf0f86ccf [1,0,0,0,1,0|1,0,1]=4 3392 B9R0.21 C[C@H](C=O)NCC(C)(C)C bb021133604ac303dde791f68b83541c [1,0,0,0,1,0|2,0,0]=4 3393 B9R0.21 C[C@H](C=O)NCC(C)(C)O 520aa1df5578975730173f782955fb1d [1,0,0,0,1,0|1,0,0]=3 3394 B9R0.21 C[C@H](C=O)OCC(C)(C)Br b8f7dfdf7b11f730d833f8bad031e903 [1,0,0,0,1,0|2,0,0]=4 3395 B9R0.21 C[C@H](C=O)OCC(C)(C)C 2cc776a3b2a0a79646dbd11011aa2d7a [1,0,0,0,1,0|2,0,0]=4 3396 B9R0.21 C[C@H](C=O)OCC(C)(C)F b713835827eb46d5eff7929df85ba818 [1,0,0,0,1,0|2,0,0]=4 3397 B9R0.21 C[C@H](C=O)OCC(C)(C)S b25e7baa4132e64c2cd9b4945c4f329b [1,0,0,0,1,0|1,1,0]=4 3398 B9R0.21 C[C@H](CO)NCC(C)(C)O 23dccb85c524457429daf8d85a5e404e [1,0,0,0,1,0|1,0,1]=4 3399 B9R0.21 C[C@H](CS)OCC(C)(C)O 4ddb0f57264506b93b080ed31526d693 [1,0,0,0,1,0|1,1,0]=4 3400 B9R0.44 C=CCN(C)CC(C)(C)O aa9be1a7064759ab88324ccfcf5e090c [0,0,0,0,2,0|2,0,0]=4 3401 B9R0.44 CN(CC=O)CC(C)(C)C 8578bf5b851e8c827be864aa178233d3 [0,0,0,0,2,0|2,0,0]=4 3402 B9R0.44 CN(CC=O)CC(C)(C)O f1040cb1a3cca6af4c3dfa4c21c52979 [0,0,0,0,2,0|1,0,0]=3 3403 B11R0.176 C#CCC(C)OCCCC(C)C 163a4a071feaa377f881e0f838dc25c8 [1,0,0,0,0,1|1,0,1]=4 3404 B11R0.176 C/C=C/C(C)OCCCC(C)C 0e76cf0f2bf9cc1cc0a6f6332b5498e9 [1,0,0,0,0,1|1,0,1]=4 3405 B11R0.176 C=CCC(C)CNCCC(C)C 685c3cbc7f208b354d3f6f2a248a1f80 [1,0,0,0,0,1|1,0,0]=3 3406 B11R0.176 C=CCC(C)CNCCC(C)O cfd3422702fc3a66fc8f22860176b951 [1,0,0,0,0,1|1,0,0]=3 3407 B11R0.176 C=CCC(C)CNCCN(C)C c1d6a034112df424078a67d17264ee8f [1,0,0,0,0,1|2,0,0]=4 3408 B11R0.176 C=CCC(C)CNCC[C@@H](C)O 4c1b097329be3becef8bc353b2d9c620 [1,0,0,0,0,1|1,0,0]=3 3409 B11R0.176 C=CCC(C)CNCC[C@H](C)O 17d54cba527e9a88a87982b76437a850 [1,0,0,0,0,1|1,0,0]=3 3410 B11R0.176 C=CCC(C)COCCC(C)C b369b2167e3be196a38ca486436ac2cc [1,0,0,0,0,1|1,0,0]=3 3411 B11R0.176 C=CCC(C)COCCN(C)C e9d641c56a18ecbf3d0aaeb1372cff56 [1,0,0,0,0,1|2,0,0]=4 3412 B11R0.176 C=CCC(C)COCOC(C)C 1cdd1572beecd4a0532bbe0bb669cb71 [1,0,0,0,0,1|2,0,0]=4 3413 B11R0.176 C=CCC(C)OCCCC(C)C 20dc0dc5bcd382919c3ac45514fa55f1 [1,0,0,0,0,1|1,0,0]=3 3414 B11R0.176 C=CCC(C)OCCCN(C)C 5a9c52fe35c9af0abc347a970ca11b26 [1,0,0,0,0,1|2,0,0]=4 3415 B11R0.176 C=CCC(C)OCCOC(C)C 0f35b0044d50eee18a72738343761f9c [1,0,0,0,0,1|2,0,0]=4 3416 B11R0.176 C=CCC(C)OCCSC(C)C e72470248ec90b7102b9b210ec244bbe [1,0,0,0,0,1|2,0,0]=4 3417 B11R0.176 C=CCC(O)CNCCC(C)C fa44a863ff1bc6abb22ee2a1e4fe0f94 [1,0,0,0,0,1|2,0,0]=4 3418 B11R0.176 C=CCC(O)CNCCC(C)O 22f600c9005ea38c43456761d7b1700f [1,0,0,0,0,1|2,0,0]=4 3419 B11R0.176 C=CCN(C)CCCCC(C)C 0ff5c693695ad7accc904041104f7016 [1,0,0,0,0,1|2,0,0]=4 3420 B11R0.176 C=CCN(C)CCCCC(C)O 9fd43f516b25f0d1a56ebc5c18843cf1 [1,0,0,0,0,1|2,0,0]=4 3421 B11R0.176 C=CCN(C)CCCC[C@@H](C)O 43ccfe8e3b9b531b2450238040853e8f [1,0,0,0,0,1|2,0,0]=4 3422 B11R0.176 C=CCN(C)CCOCC(C)C da5233b49c07bf467f9409ba94616985 [1,0,0,0,0,1|2,0,0]=4 3423 B11R0.176 C=CC[C@@H](C)OCCCC(C)C c667603455271c566ca59f015472650d [1,0,0,0,0,1|1,0,0]=3 3424 B11R0.176 C=CC[C@@H](C)OCCCN(C)C 2cc619509d93aa7688d7799a5e8ab2c5 [1,0,0,0,0,1|2,0,0]=4 3425 B11R0.176 C=CC[C@@H](C)OCCOC(C)C db65fcada3dedef594accb223d43fc1f [1,0,0,0,0,1|2,0,0]=4 3426 B11R0.176 C=CC[C@@H](C)OCCSC(C)C 7269b17766749b40e38d9db11679e828 [1,0,0,0,0,1|2,0,0]=4 3427 B11R0.176 C=CC[C@H](C)OCCCC(C)C d4124d9a328e2ba756acde1c6142ffa1 [1,0,0,0,0,1|1,0,0]=3 3428 B11R0.176 C=CC[C@H](C)OCCCN(C)C c9312d114ee85bde7818d35dbdb92cd8 [1,0,0,0,0,1|2,0,0]=4 3429 B11R0.176 C=CC[C@H](C)OCCOC(C)C fc88241038e26df91b6bc0133cd17a4b [1,0,0,0,0,1|2,0,0]=4 3430 B11R0.176 C=CC[C@H](C)OCCSC(C)C 9e2429676d478d86434ee8c5e8398612 [1,0,0,0,0,1|2,0,0]=4 3431 B11R0.176 CC(C)CCCNC(=O)CC=O 193ec567d5a6df0438b824f7cad0f246 [1,0,0,0,0,1|1,0,1]=4 3432 B11R0.176 CC(C)CCCNC(C)CC#N d88da3eb69a4b3465ba0598a985f88ca [1,0,0,0,0,1|1,0,1]=4 3433 B11R0.176 CC(C)CCCNC(C)CCO e9593a1773819ec49a75c1ce16c4a2b7 [1,0,0,0,0,1|0,0,2]=4 3434 B11R0.176 CC(C)CCCN[C@@H](C)CCO ae685661ac0f9b3783e74a495ca3b53b [1,0,0,0,0,1|0,0,2]=4 3435 B11R0.176 CC(C)CCCN[C@H](C)CCO 1af63397775272e10adcb1d0fd4f408c [1,0,0,0,0,1|0,0,2]=4 3436 B11R0.176 CC(C)CCCOC(C)CC#N 1c479f0eacad9ced61d16adb8746998a [1,0,0,0,0,1|1,0,1]=4 3437 B11R0.176 CC(C)CCCO[C@@H](C)CC#N 24274150527c144746f9fc0312377545 [1,0,0,0,0,1|1,0,1]=4 3438 B11R0.176 CC(C)CCCO[C@H](C)CC#N 6194ff4cd6b37fcdd9e35a3bccc061fd [1,0,0,0,0,1|1,0,1]=4 3439 B11R0.176 CC(C)CCNCC(C)CCO f8a31410be1e715041ca8486fcd3ceb1 [1,0,0,0,0,1|0,0,2]=4 3440 B11R0.176 CC(O)CCCNC(C)CC#N c8a1dacd91a308a3b71de88f7d7df1c0 [1,0,0,0,0,1|1,0,1]=4 3441 B11R0.176 CC(O)CCCNC(C)CCO 432a8f1558ecc4a98b69788e3ca6f2ad [1,0,0,0,0,1|0,0,2]=4 3442 B11R0.176 CC(O)CCCN[C@@H](C)CCO 8053057166ef96a5c3e2021435d12ff8 [1,0,0,0,0,1|0,0,2]=4 3443 B11R0.176 CC(O)CCCN[C@H](C)CCO df91f3a10dd51cc9c2fe9f2159f950cf [1,0,0,0,0,1|0,0,2]=4 3444 B11R0.176 CC(O)CCNCC(C)CCO e3898eeb48243b26969d11578721bb9a [1,0,0,0,0,1|0,0,2]=4 3445 B11R0.176 CC=CC(C)OCCCC(C)C ed274d38b5e056f4bde33f46c3e9ab41 [1,0,0,0,0,1|1,0,1]=4 3446 B11R0.176 CCCC(C)CCCOC(C)C 4e67ae063fe600322af6e7b5cb499c37 [1,0,0,0,0,1|1,0,1]=4 3447 B11R0.176 CCCC(C)CCOCC(C)C 24b9b43e7ec029c4bd58d608f2baafb7 [1,0,0,0,0,1|1,0,1]=4 3448 B11R0.176 CCCC(C)CNCCC(C)C 22d9c31b764614257e5c7b451810e48f [1,0,0,0,0,1|1,0,1]=4 3449 B11R0.176 CCCC(C)CNCCC(C)O ab2f4999a5158b8e897c018cd358cfd8 [1,0,0,0,0,1|1,0,1]=4 3450 B11R0.176 CCCC(C)CNCC[C@@H](C)O dc89991e487d286fff7953d069965ac5 [1,0,0,0,0,1|1,0,1]=4 3451 B11R0.176 CCCC(C)CNCC[C@H](C)O 174303d10f536105779af286b4fca2ad [1,0,0,0,0,1|1,0,1]=4 3452 B11R0.176 CCCC(C)COCCC(C)C 642c71fb9d9145d111051a747da01b73 [1,0,0,0,0,1|1,0,1]=4 3453 B11R0.176 CCCC(C)NCCCC(C)C f04bfc19f42e9a7285570ee0ba396bbb [1,0,0,0,0,1|1,0,1]=4 3454 B11R0.176 CCCC(C)NCCCC(C)O 631edea0bdce64152542720db6e368b5 [1,0,0,0,0,1|1,0,1]=4 3455 B11R0.176 CCCC(C)OCCCC(C)C e3bb3c4c8fbb375bcd15bfb88c1609db [1,0,0,0,0,1|1,0,1]=4 3456 B11R0.176 CCC[C@@H](C)OCCCC(C)C 0b786c8e8da7f8b561a35fef44b01d3d [1,0,0,0,0,1|1,0,1]=4 3457 B11R0.176 CCC[C@H](C)NCCCC(C)C 139f65992f072b653f78a5c203bdf2cc [1,0,0,0,0,1|1,0,1]=4 3458 B11R0.176 CCC[C@H](C)NCCCC(C)O 890848f965f22eb1f5f5fa5a61063d5c [1,0,0,0,0,1|1,0,1]=4 3459 B11R0.176 CCC[C@H](C)OCCCC(C)C 15284732fe8408fe58ec6d13ea3db5d1 [1,0,0,0,0,1|1,0,1]=4 3460 B11R0.176 COCC(C)COCCC(C)C 2b2ffca473ae3834a1364518c5b14ef1 [1,0,0,0,0,1|2,0,0]=4 3461 B11R0.176 COCC(C)NCCCC(C)C e777ea4ff5d3c5d329d1f1eab34386bb [1,0,0,0,0,1|2,0,0]=4 3462 B11R0.176 COCC(C)NCCCC(C)O 1353861cc3ce9435871226ec63be9185 [1,0,0,0,0,1|2,0,0]=4 3463 B11R0.176 COCC(C)OCCCC(C)C 6cde69930856067e191de77a9c1379d4 [1,0,0,0,0,1|2,0,0]=4 3464 B11R0.176 COC[C@@H](C)NCCCC(C)C 4c6a44247e6fb5d83c4b7c811a0290e4 [1,0,0,0,0,1|2,0,0]=4 3465 B11R0.176 COC[C@@H](C)NCCCC(C)O 26828a7ca24764f3b6e96038a6f58f61 [1,0,0,0,0,1|2,0,0]=4 3466 B11R0.176 COC[C@@H](C)OCCCC(C)C 9f422459cb133fe87c760e3d899e76c5 [1,0,0,0,0,1|2,0,0]=4 3467 B11R0.176 COC[C@H](C)COCCC(C)C cd97c0f72afa8df456cca783aaa9d9c5 [1,0,0,0,0,1|2,0,0]=4 3468 B11R0.176 COC[C@H](C)NCCCC(C)C 97c9db49ee77f0d1589c83045fea5874 [1,0,0,0,0,1|2,0,0]=4 3469 B11R0.176 COC[C@H](C)NCCCC(C)O 1bad7b80ea43f698bb2d596c2ea7195b [1,0,0,0,0,1|2,0,0]=4 3470 B11R0.176 COC[C@H](C)OCCCC(C)C f6db9e1d68bca5b6c580f6e9994a5007 [1,0,0,0,0,1|2,0,0]=4 3471 B11R0.176 CSCC(C)OCCCC(C)C dc8ddf62544f1c21365dadd6c65519b0 [1,0,0,0,0,1|2,0,0]=4 3472 B13R0.21 C=CCC(C)CNCCCC(C)(C)C 488483657be7f87012f06e5ef8d1045d [0,0,0,0,0,2|2,0,0]=4 3473 B13R0.21 C=CCC(C)CNCCCC(C)(C)O ea7b8c2ad33136de646d2d0e7fbbf702 [0,0,0,0,0,2|1,0,0]=3 3474 B13R0.21 C=CCC(C)CNCCOC(C)(C)C 7883161289742426777a5fd9126fa6f3 [0,0,0,0,0,2|2,0,0]=4 3475 B13R0.21 C=CCC(C)CNCCSC(C)(C)C be32fcce6503fe621654892ff4a179e1 [0,0,0,0,0,2|2,0,0]=4 3476 B13R0.21 C=CCC(C)COCCCC(C)(C)C fbd4fb21e82b4b81ddacfb1f3fdd571e [0,0,0,0,0,2|2,0,0]=4 3477 B13R0.21 C=CCC(C)COCCCC(C)(C)O 51bcd5826321d281dc4711d53e829b1a [0,0,0,0,0,2|1,0,0]=3 3478 B13R0.21 C=CCC(C)COCCOC(C)(C)C b6b9275b7089f9c4cdeb338bea101465 [0,0,0,0,0,2|2,0,0]=4 3479 B13R0.21 C=CCC(C)COCCSC(C)(C)C af919fe7c75e65275c9e2b4e5e412600 [0,0,0,0,0,2|2,0,0]=4 3480 B13R0.21 C=CCC(C)OCCCSC(C)(C)C d79cfafce029f899ddd4e4081e02e0a3 [0,0,0,0,0,2|2,0,0]=4 3481 B13R0.21 C=CCC(O)CNCCCC(C)(C)O e724c89335f3d713aa6b1c2f19731510 [0,0,0,0,0,2|2,0,0]=4 3482 B13R0.21 C=CCN(C)CCCCCC(C)(C)O 449d6ea5053b13050575c87823bce0a5 [0,0,0,0,0,2|2,0,0]=4 3483 B13R0.21 C=CCN(C)CCOCCC(C)(C)O 0948007f4f056f78db346fbdc6187145 [0,0,0,0,0,2|2,0,0]=4 3484 B13R0.21 C=CC[C@@H](C)OCCCSC(C)(C)C bc6e90a6776a57c00adc701f9ef2c35f [0,0,0,0,0,2|2,0,0]=4 3485 B13R0.21 C=CC[C@H](C)OCCCSC(C)(C)C 2540c1943e3b74487de30a9e0da50000 [0,0,0,0,0,2|2,0,0]=4 3486 B13R0.21 CC(CCO)CNCCCC(C)(C)O 78d3067d9d8e9b396b01d652608df968 [0,0,0,0,0,2|0,0,2]=4 3487 B13R0.21 CCCC(C)CCCOCC(C)(C)O 2692fea1c9eb168a46e9b6b266646b40 [0,0,0,0,0,2|1,0,1]=4 3488 B13R0.21 CCCC(C)CCOCCC(C)(C)O ab7ada8f1953d86f0f90f4d53c6fb96e [0,0,0,0,0,2|1,0,1]=4 3489 B13R0.21 CCCC(C)CNCCCC(C)(C)O 1dc558129b4eb9de4bc9e0d23b834ed4 [0,0,0,0,0,2|1,0,1]=4 3490 B13R0.21 CCCC(C)COCCCC(C)(C)O 82fcc1e31848f6653f833a64a3da3bde [0,0,0,0,0,2|1,0,1]=4 3491 B13R0.21 COCC(C)COCCCC(C)(C)O 3b20100b664375e14ae17b5784997321 [0,0,0,0,0,2|2,0,0]=4 3492 B13R0.21 COC[C@H](C)COCCCC(C)(C)O 7c83e261c5b796423e4553d315fcd74e [0,0,0,0,0,2|2,0,0]=4