0 B10R0.79 C/C=C/C(CC(C)C)OCC 83cbc543d57d5721774cad161e836cad [0,0,0,0,0,0|1,0,1]=2 1 B10R0.79 C/C=C/C(CC(C)C)OCF e843a43754c90f187c90bb2e8e6275d0 [0,0,0,0,0,0|2,0,1]=3 2 B10R0.79 CC=CC(CC(C)C)OCC a78a5573542c8b5597c65fd6209bf193 [0,0,0,0,0,0|1,0,1]=2 3 B10R0.79 CC=CC(CC(C)C)OCF ec904005a48eccb9c70b4eecc2e5baca [0,0,0,0,0,0|2,0,1]=3 4 B10R0.79 CCCC(CC(=O)O)OCC be1b338ef9e1f58acc61d9b5829ad340 [0,0,0,0,0,0|3,0,1]=4 5 B10R0.79 CCCC(CC(C)C)OCC 32677f9d445e643f7fc986f3e685d527 [0,0,0,0,0,0|1,0,0]=1 6 B10R0.79 CCCC(CC(C)C)OCF e1d83bfbcb17c762709cba93f52f6022 [0,0,0,0,0,0|2,0,0]=2 7 B10R0.79 CCCC(CCC)NC(C)C d793789ec6b3adcbb5e7169039e7619d [0,0,0,0,0,0|3,0,0]=3 8 B10R0.79 CCCC(CCC)OC(C)C ded3b496596c73657daf709428073d3a [0,0,0,0,0,0|3,0,0]=3 9 B10R0.79 CCCC(CCO)NC(C)C 203575737fb7b837c5964546e149201b [0,0,0,0,0,0|4,0,0]=4 10 B10R0.79 CCCC(C[N+](=O)[O-])OCC a840245ba7f5a391d52ff22beaff4478 [0,0,0,0,0,0|4,0,0]=4 11 B10R0.79 CCCN(CCC)CC(C)C c183f8412f91304c1a3630453276594d [0,0,0,0,0,0|3,0,0]=3 12 B10R0.79 CCCN(CCC)CC(C)O fb8194175fa90248e812428b4d6a93c0 [0,0,0,0,0,0|4,0,0]=4 13 B10R0.79 CCCN(CCC)CN(C)C ccd85c1658987da4c446cf077da55713 [0,0,0,0,0,0|4,0,0]=4 14 B10R0.79 CCCN(CCC)C[C@@H](C)O 8a1a14f72602b61f45de891bd7c16694 [0,0,0,0,0,0|4,0,0]=4 15 B10R0.79 CCCN(CCC)C[C@H](C)O 6cc8246c830a9340c402498f62a7eb15 [0,0,0,0,0,0|4,0,0]=4 16 B10R0.79 CCCN(CCF)CC(C)C 92701b18a525336e870a193ffc26f5c4 [0,0,0,0,0,0|4,0,0]=4 17 B10R0.79 CCCN(CCO)CC(C)C b3daef3df790ddbebdf5c009a47508b5 [0,0,0,0,0,0|4,0,0]=4 18 B10R0.79 CCCN(CCS)CC(C)C 12d7f846b3f2ad86152a920e781a7177 [0,0,0,0,0,0|4,0,0]=4 19 B10R0.79 CCCN(COC)CC(C)C 4aabcfdb3a8ecde018fc79ce06120e3d [0,0,0,0,0,0|4,0,0]=4 20 B10R0.79 CCCN(CSC)CC(C)C f9c316551b1fff5ccbcbad4190b1db71 [0,0,0,0,0,0|4,0,0]=4 21 B10R0.79 CCN[C@@H](COC)CC(C)C 8685d226bea71df12b45fa474275f101 [0,0,0,0,0,0|3,0,0]=3 22 B10R0.79 COC[C@@H](CC(C)C)NCF 90e92a03227f8322781ce316882fd756 [0,0,0,0,0,0|4,0,0]=4 23 B10R0.79 COC[C@@H](CC(C)C)NCO 01183dfdcdf5e99e0c8726580a0f18ad [0,0,0,0,0,0|4,0,0]=4 24 B9R0.14 C#CC(CC(C)C)OCC 6da4d62c1096ff9044e06ad8518521e5 [1,0,0,0,0,0|0,0,2]=3 25 B9R0.14 C#CC(CC(C)C)OCF d114113f9cb22f6b34a21640460f6742 [1,0,0,0,0,0|1,0,2]=4 26 B9R0.14 C=CC(CC(C)C)OCC 31644764edb043ba1624c67e20282d71 [1,0,0,0,0,0|0,0,2]=3 27 B9R0.14 C=CC(CC(C)C)OCF 1fa2b711122d08dc0c91646a0de24b59 [1,0,0,0,0,0|1,0,2]=4 28 B9R0.14 CC(C)CC(C#N)OCF 66d4fe61ac1ef5ac4150b4c9b7c7d891 [1,0,0,0,0,0|2,0,1]=4 29 B9R0.14 CC(C)CC(CO)NCF e8bc73637d5779f3a0cded188dd2e80b [1,0,0,0,0,0|3,0,0]=4 30 B9R0.14 CC(C)CC(CO)NCO ab5828cb6366a6881507332f62b0f9f1 [1,0,0,0,0,0|3,0,0]=4 31 B9R0.14 CC(C)C[C@@H](CO)NCF 6b7d06043462d284ce814258a6f81f64 [1,0,0,0,0,0|3,0,0]=4 32 B9R0.14 CC(C)C[C@@H](CO)NCO 254d16527e019af7b59cceed082f6c0a [1,0,0,0,0,0|3,0,0]=4 33 B9R0.14 CC(C)C[C@H](CO)NCF 999b6b66fa5b833a33f47e813c11bc2e [1,0,0,0,0,0|3,0,0]=4 34 B9R0.14 CC(C)C[C@H](CO)NCO 940ea2ce04efce77b0003eac2fa3d55c [1,0,0,0,0,0|3,0,0]=4 35 B9R0.14 CCC(CN(C)C)NCF a659aa59209baf3389b323d780b458f9 [1,0,0,0,0,0|3,0,0]=4 36 B9R0.14 CCC(CN(C)C)NCO 448d5ff30fcb345e34b4d23dc480db7a [1,0,0,0,0,0|3,0,0]=4 37 B9R0.14 CCC(COC)NC(C)C e41155e89f9ba26c22f734e17b8932e2 [1,0,0,0,0,0|3,0,0]=4 38 B9R0.14 CCC(COC)OC(C)C 3d38e7aba6af9c1146852026988cb428 [1,0,0,0,0,0|3,0,0]=4 39 B9R0.14 CCC(CSC)OC(C)C 135872275d396fc608448ef0edbdb1f1 [1,0,0,0,0,0|3,0,0]=4 40 B9R0.14 CCCC(CC)OC(C)C c50b63b5afd43bc9dd207a7943b338ed [1,0,0,0,0,0|2,0,0]=3 41 B9R0.14 CCCC(CO)NC(C)C bde8f178d225b392e5794634b662a237 [1,0,0,0,0,0|3,0,0]=4 42 B9R0.14 CCCN(CC)CC(C)C 1c016e170fcff8eaad5487782273abfd [1,0,0,0,0,0|2,0,0]=3 43 B9R0.14 CCCN(CC)CC(C)O fdce494f6b7ad74b25e78f00d600f5fd [1,0,0,0,0,0|3,0,0]=4 44 B9R0.14 CCCN(CC)CN(C)C fd17c90c8d4a7300efe78e7eab0211f7 [1,0,0,0,0,0|3,0,0]=4 45 B9R0.14 CCCN(CC)C[C@@H](C)O 2a7f105fa476e4363a7606e8692c64dc [1,0,0,0,0,0|3,0,0]=4 46 B9R0.14 CCCN(CC)C[C@H](C)O 474bae344e062363814d8e7a4a2cf54c [1,0,0,0,0,0|3,0,0]=4 47 B9R0.14 CCCN(CF)CC(C)C e5c06337227320d2e200e1b90266320b [1,0,0,0,0,0|3,0,0]=4 48 B9R0.14 CCCN(CO)CC(C)C 6f3756febe403b55bf9659a76e85f780 [1,0,0,0,0,0|3,0,0]=4 49 B9R0.14 CCC[C@@H](CC)OC(C)C a39a86427e11d72d6f7273e04c6ecbea [1,0,0,0,0,0|2,0,0]=3 50 B9R0.14 CCC[C@@H](CO)NC(C)C 3086af1369b93d1fa42cdeb313a2097d [1,0,0,0,0,0|3,0,0]=4 51 B9R0.14 CCC[C@H](CO)NC(C)C f970f3c821edfa2ebfbeadb11dc6ec94 [1,0,0,0,0,0|3,0,0]=4 52 B9R0.14 CCN(CCCl)CC(C)C 59b704fb2477acb7c825e47fbc772fa6 [1,0,0,0,0,0|3,0,0]=4 53 B9R0.14 CCN(CCF)CC(C)C e6938bdc80167044dd9548d3215cdf9b [1,0,0,0,0,0|3,0,0]=4 54 B9R0.14 CCN(CCO)CC(C)C 69c6ce2a3753e0345640b6339b0e78fb [1,0,0,0,0,0|3,0,0]=4 55 B9R0.14 CCN(CCS)CC(C)C bbb344d5aa329048e1bee71bc7fb2dfe [1,0,0,0,0,0|3,0,0]=4 56 B9R0.14 CCN(COC)CC(C)C d451bea6a932590ff83dbe3ea65973c9 [1,0,0,0,0,0|3,0,0]=4 57 B9R0.14 CCN(CSC)CC(C)C da92b53232db00d6de340390d51b7a3a [1,0,0,0,0,0|3,0,0]=4 58 B9R0.14 CCNC(C#N)CC(C)C 3c0fe9de3e47724440617d79d2a7d79d [1,0,0,0,0,0|2,0,1]=4 59 B9R0.14 CCNC(CC)CN(C)C f6a86f6f4619847e02ead371c59cb9f1 [1,0,0,0,0,0|2,0,0]=3 60 B9R0.14 CCNC(CO)CC(C)C 70a9aacb9463f6eae66fbd5e7509bc43 [1,0,0,0,0,0|2,0,0]=3 61 B9R0.14 CCN[C@@H](CO)CC(C)C bc3310a2f7637e679fc82e772ff0c426 [1,0,0,0,0,0|2,0,0]=3 62 B9R0.14 CCN[C@H](CO)CC(C)C 775461ae8ad7ccfcbef3b68fc90d46e8 [1,0,0,0,0,0|2,0,0]=3 63 B9R0.14 CCOC(C#N)CC(C)C f50d06d728ee86d743893eddacb2b784 [1,0,0,0,0,0|1,0,1]=3 64 B9R0.14 CCOC(CC)CC(=O)O 067fe73a7b822a47a7ba0f3d160fbef0 [1,0,0,0,0,0|2,0,1]=4 65 B9R0.14 CCO[C@@H](CC)CC(=O)O 33e42c57d3d148d94f92e79e109828f9 [1,0,0,0,0,0|2,0,1]=4 66 B9R0.14 CCO[C@H](CC)CC(=O)O 455a3fd4e9034df148e3bfd48e87cfe6 [1,0,0,0,0,0|2,0,1]=4 67 B9R0.14 CCO[C@H](CC)CN(C)C 71a83bb50de1c2497679bec56bec2549 [1,0,0,0,0,0|1,0,0]=2 68 B9R0.14 CC[C@H](CN(C)C)OCF d7f0e2f1489a3cd3a2737fd0993110c6 [1,0,0,0,0,0|2,0,0]=3 69 B9R0.17 CCCC(CCC)NCC ddd45faa5306b27a1d72b76e087036bb [1,0,0,0,0,0|2,0,0]=3 70 B9R0.17 CCCC(CCC)NCF ec5b27a8f3c2b4d0e77881907455ba8a [1,0,0,0,0,0|3,0,0]=4 71 B9R0.17 CCCC(CCC)NCO d1140e3e226f7dbd1150e43fae13223a [1,0,0,0,0,0|3,0,0]=4 72 B9R0.17 CCCC(CCC)OCC eaefef31a773bb3c066a25cae0992714 [1,0,0,0,0,0|1,0,0]=2 73 B9R0.17 CCCC(CCC)OCF ba5ef35becd613f75720a15441855b31 [1,0,0,0,0,0|2,0,0]=3 74 B9R0.17 CCCC(CCO)NCC 7cd7153d642a14f8ac7540b4f6be6734 [1,0,0,0,0,0|3,0,0]=4 75 B9R0.17 CCCN(CCC)CCC 3ee87e643e51d7f886254b78136bfbd5 [1,0,0,0,0,0|3,0,0]=4 76 B9R0.17 CCOC(COC)COC ffbe9c30e841070e47bf96dbf56bfe01 [1,0,0,0,0,0|3,0,0]=4 77 B11R0.35 C/C=C/C(CC(C)C)OC(C)C 378817b0abcf019c9a99ef4e19323a6c [0,1,0,0,0,0|1,0,1]=3 78 B11R0.35 CC(C)CC(CC(C)C)NCF ab8a88d4a9aa1c110ef59df18b8117d8 [0,1,0,0,0,0|3,0,0]=4 79 B11R0.35 CC(C)CC(CC(C)C)NCO 34f60a1743c770a5cd3f8eed8be636cb [0,1,0,0,0,0|3,0,0]=4 80 B11R0.35 CC(C)CC(CC(C)C)OCF 9276624c3d1c5c918b77966afc073721 [0,1,0,0,0,0|2,0,0]=3 81 B11R0.35 CC=CC(CC(C)C)OC(C)C 4181ac22001b3a455224f87ab9da4a85 [0,1,0,0,0,0|1,0,1]=3 82 B11R0.35 CCCC(CC(C)C)OC(C)C 979913f1c3d39a18884aa8bdb7c2d098 [0,1,0,0,0,0|1,0,0]=2 83 B11R0.35 CCCN(CC(C)C)CC(C)C 7f3832edae4d1dbf2a2c677e3bceb3ca [0,1,0,0,0,0|3,0,0]=4 84 B11R0.35 CCCN(CC(C)C)CC(C)O 91af8c803aef4d54a7026d2e69fc2da2 [0,1,0,0,0,0|3,0,0]=4 85 B11R0.35 CCCN(CC(C)C)C[C@@H](C)O 56fa7616e970370f733a2cf21ec710ba [0,1,0,0,0,0|3,0,0]=4 86 B11R0.35 CCCN(CC(C)C)C[C@H](C)O 0ad57c76e6e59f908f85a317ea3f2d59 [0,1,0,0,0,0|3,0,0]=4 87 B11R0.35 CCNC(CC(C)C)CC(C)C 718a4fb6a0e0bceb9e74c9974807d745 [0,1,0,0,0,0|2,0,0]=3 88 B11R0.35 CCN[C@@H](CC(C)C)CN(C)C 3670a11237a669235a058331fd5c2a1f [0,1,0,0,0,0|3,0,0]=4 89 B11R0.35 CCOC(CC(=O)O)CC(C)C a210a7565866f93cb89f325b1561a41c [0,1,0,0,0,0|2,0,1]=4 90 B11R0.35 CCOC(CC(C)C)CC(C)C a191c94c9f8166201417687c587d1561 [0,1,0,0,0,0|1,0,0]=2 91 B11R0.35 CCOC(CN(C)C)CN(C)C cb94f8e99accf85c2440461a8076eeb2 [0,1,0,0,0,0|3,0,0]=4 92 B11R0.35 CCOC(CN(C)C)OS(=O)O 1b17707cfccbd7d5d0b4aa73265242db [0,1,0,0,0,0|3,0,0]=4 93 B11R0.35 COC[C@@H](CC(C)C)NC(C)C 0999d7b1724739e9fddedcc75149141a [0,1,0,0,0,0|3,0,0]=4 94 B11R0.39 CCCC(OC(C)C)C(C)CC dac2e4de2f3d29c21748e33768e4ba4e [0,1,0,0,0,0|3,0,0]=4 95 B11R0.39 CCCN(CC(C)C)C(=O)CC 6a52fe0798abce892d2fe3258ec49942 [0,1,0,0,0,0|3,0,0]=4 96 B11R0.39 CCCN(CC(C)C)C(C)CC 36ccbb55ac4dcdd1b3e4a38c80858272 [0,1,0,0,0,0|3,0,0]=4 97 B11R0.39 CCN[C@@H](CC(C)C)C(=O)NC 85557be339b3bf46a8d885f4ec5f3c20 [0,1,0,0,0,0|3,0,0]=4 98 B11R0.39 CCN[C@H](CC(C)C)C(=O)NC 4dd6338229b25594b6a1934dc114e7f8 [0,1,0,0,0,0|3,0,0]=4 99 B11R0.39 CCOC(CC(C)C)C(=O)OC 671a8d11e533326ac1741f22438d6865 [0,1,0,0,0,0|2,0,0]=3 100 B11R0.39 CCO[C@H](CC(C)C)C(=O)OC 800a5451b9d1984b9645a44407a8781a [0,1,0,0,0,0|2,0,0]=3 101 B11R0.39 COC(=O)C(CC(C)C)OCF 3eb6e90eb37f114f8c0e8837cc59de6b [0,1,0,0,0,0|3,0,0]=4 102 B11R0.39 COC(=O)[C@@H](CC(C)C)OCF 9100bf3582362c74205e78929fe133ed [0,1,0,0,0,0|3,0,0]=4 103 B11R0.47 C#CCOC(/C=C/C)CC(C)C c7c2705e2acc9d21596537e5887f5b75 [0,1,0,0,0,0|1,0,2]=4 104 B11R0.47 C#CCOC(C=CC)CC(C)C 92f94953d6eb4530d222dfbdb2d65a9f [0,1,0,0,0,0|1,0,2]=4 105 B11R0.47 C#CCOC(CCC)CC(C)C 79c43435bdf07a92af6c636baeeccfd6 [0,1,0,0,0,0|1,0,1]=3 106 B11R0.47 C/C=C/C(CC(C)C)OCC#N d12fcdb67c80b19b0aa6efd3773022db [0,1,0,0,0,0|1,0,2]=4 107 B11R0.47 C/C=C/C(CC(C)C)OCC=O f544caab6eae5e9e65ea8f5c0fcfb389 [0,1,0,0,0,0|1,0,2]=4 108 B11R0.47 C/C=C/C(CC(C)C)OCCC 6772657712cd4e3d3fac7a5aa608e532 [0,1,0,0,0,0|1,0,1]=3 109 B11R0.47 C/C=C/C(CC(C)C)OCCF a5d99c14b03fafff8789af3a29e50566 [0,1,0,0,0,0|1,0,1]=3 110 B11R0.47 C/C=C/C(CC(C)C)OCCS 70bc94367eaa4afda31685784c70a258 [0,1,0,0,0,0|1,0,1]=3 111 B11R0.47 C/C=C/C(CC(C)C)OCOC 7c370b5df1a7fbf945103c68eb9e4de5 [0,1,0,0,0,0|1,0,1]=3 112 B11R0.47 C/C=C/C(CC(C)C)OCSC 97066aea63683219a89e1a249dccc36a [0,1,0,0,0,0|1,0,1]=3 113 B11R0.47 C=CCOC(/C=C/C)CC(C)C b069bf04e89d6d3d3bae7b0f11ddf121 [0,1,0,0,0,0|1,0,2]=4 114 B11R0.47 C=CCOC(C=CC)CC(C)C 16fbc1262804bf2b5e59fbbe530b2b78 [0,1,0,0,0,0|1,0,2]=4 115 B11R0.47 C=CCOC(CCC)CC(C)C d12d4d53f44f0372b2d2daf341fca125 [0,1,0,0,0,0|1,0,1]=3 116 B11R0.47 CC=CC(CC(C)C)OCC#N d0c354aa6f8b7924e6bfdca6c925a124 [0,1,0,0,0,0|1,0,2]=4 117 B11R0.47 CC=CC(CC(C)C)OCC=O 0f99dca980a4f628e836a2890154c6cc [0,1,0,0,0,0|1,0,2]=4 118 B11R0.47 CC=CC(CC(C)C)OCCC ade4b2c3da87db14513246cf5dc96060 [0,1,0,0,0,0|1,0,1]=3 119 B11R0.47 CC=CC(CC(C)C)OCCF ad838948ee933e3ee9386b225f86ae2a [0,1,0,0,0,0|1,0,1]=3 120 B11R0.47 CC=CC(CC(C)C)OCCS 0aa329616cbf087fc76a1eed401b226d [0,1,0,0,0,0|1,0,1]=3 121 B11R0.47 CC=CC(CC(C)C)OCOC c26fb06e087df7be11a449c526cc85a7 [0,1,0,0,0,0|1,0,1]=3 122 B11R0.47 CC=CC(CC(C)C)OCSC 411aa32a2634db082925b6bd632437be [0,1,0,0,0,0|1,0,1]=3 123 B11R0.47 CCCC(CC(C)C)OCC#N 981385c4d49ce7320f8e39b5df0506a4 [0,1,0,0,0,0|1,0,1]=3 124 B11R0.47 CCCC(CC(C)C)OCC=O 0945a4a92d959bd8ab6b3720ed3a022f [0,1,0,0,0,0|1,0,1]=3 125 B11R0.47 CCCC(CC(C)C)OCCF bc4bd990b1883a6458ba4de7a0d3ad32 [0,1,0,0,0,0|1,0,0]=2 126 B11R0.47 CCCC(CC(C)C)OCCS 4e99511f04add3e5dd68364cd62fc2ac [0,1,0,0,0,0|1,0,0]=2 127 B11R0.47 CCCC(CC(C)C)OCOC d85489f8c0f407f62e88b90f76c2bf22 [0,1,0,0,0,0|1,0,0]=2 128 B11R0.47 CCCC(CC(C)C)OCSC 24da53c0c29e6b9966c48c1593ce81bc [0,1,0,0,0,0|1,0,0]=2 129 B11R0.47 CCCCC(CCC)OC(C)C ce70d8f284211b7167166221aa969f03 [0,1,0,0,0,0|3,0,0]=4 130 B11R0.47 CCCCN(CCC)CC(C)C 8381397bc74b8ba5678cb0eb5918c458 [0,1,0,0,0,0|3,0,0]=4 131 B11R0.47 CCCN(CCCF)CC(C)C b6d8d0a04f6eb8af5e5f3f2faff283d7 [0,1,0,0,0,0|3,0,0]=4 132 B11R0.47 CCCN(CCCO)CC(C)C bdf22ae84b62259549a21254822dcc00 [0,1,0,0,0,0|3,0,0]=4 133 B11R0.47 CCCN(CCCS)CC(C)C 36c2c7259cc530c4dc8c37bb032b7408 [0,1,0,0,0,0|3,0,0]=4 134 B11R0.47 CCCN(CCOC)CC(C)C 00a092dd2a699fa0a75f988c44f2124c [0,1,0,0,0,0|3,0,0]=4 135 B11R0.47 CCCN(CCSC)CC(C)C 76dd734540fcc045095a0cb727d04318 [0,1,0,0,0,0|3,0,0]=4 136 B11R0.47 CCCN(COCC)CC(C)C 3b7255e21624c6bba81621f7c1ea1228 [0,1,0,0,0,0|2,0,0]=3 137 B11R0.47 CCCN(COCC)CC(C)O 04ea78ca10cb834275e7dee8777cf558 [0,1,0,0,0,0|3,0,0]=4 138 B11R0.47 CCCN[C@@H](COC)CC(C)C 0d3d675e91c2d91af7b269e37678864f [0,1,0,0,0,0|3,0,0]=4 139 B11R0.47 CCCOC(CCC)CC(C)C 8a7b9d8efc81e904e9fcd59e5a51bb2d [0,1,0,0,0,0|1,0,0]=2 140 B11R0.47 COCN[C@@H](COC)CC(C)C cf827cf6f7c0e0183955f4e0268aaef4 [0,1,0,0,0,0|3,0,0]=4 141 B11R0.47 COC[C@@H](CC(C)C)NCCF 7967ca1cff69c7a483680f6ad5affe46 [0,1,0,0,0,0|3,0,0]=4 142 B11R0.47 COC[C@@H](CC(C)C)NCCO 16b238b40159cda7daaee559dcefc5a2 [0,1,0,0,0,0|3,0,0]=4 143 B11R0.47 COC[C@@H](CC(C)C)NCCS 991e059b69c2602c10fa829f8d223de1 [0,1,0,0,0,0|3,0,0]=4 144 B11R0.47 COC[C@@H](CC(C)C)NCSC db8470e7768fcbcd7ae1b394a7a69744 [0,1,0,0,0,0|3,0,0]=4 145 B11R0.95 CCCC(CCC)NC(C)(C)C 3fa5278369de709282c6971997f45373 [0,1,0,0,0,0|3,0,0]=4 146 B11R0.95 CCCN(CCC)CC(C)(C)C 945643a8989578f0e08fcf46a8b9c321 [0,1,0,0,0,0|3,0,0]=4 147 B11R0.95 CCCN(CCC)CC(C)(C)F 91b70ee723afcfbc3b582af83d0757fd [0,1,0,0,0,0|3,0,0]=4 148 B11R0.95 CCCN(CCC)CC(C)(C)O c3be015d68a2be1940f2a3ffec86b3e6 [0,1,0,0,0,0|3,0,0]=4 149 B11R0.98 CCCC(CCC)N(C)C(C)C 170531e7c208bd53206e2eccfdfecaaf [0,1,0,0,0,0|3,0,0]=4 150 B11R0.98 CCCN(CCC)C(C)C(C)C 81c3ad3f2cd8d8f3d02542f3c5c18b56 [0,1,0,0,0,0|3,0,0]=4 151 B11R0.279 CCCC(CC(=O)OC)OCC 0166734c7df365d38f4f7c0dcdabefca [0,1,0,0,0,0|2,0,1]=4 152 B11R0.279 CCCC(CCC)CN(C)CC d88eb87f4fcd16649cfeb3fa983f3982 [0,1,0,0,0,0|3,0,0]=4 153 B11R0.279 CCCC(CCC)NC(C)CC 9c91fcd674035eb852ca0ec933033c25 [0,1,0,0,0,0|3,0,0]=4 154 B11R0.279 CCCC(CCC)NC(C)CO 80ec0bbd0aa2b1b3e0c488c6dea2d9e7 [0,1,0,0,0,0|3,0,0]=4 155 B11R0.279 CCCC(CCC)N[C@@H](C)CC bb625432fb60ff2befe6b6206756a107 [0,1,0,0,0,0|3,0,0]=4 156 B11R0.279 CCCC(CCC)N[C@@H](C)CO 5c6b89162c52eecab1a098e0512a4093 [0,1,0,0,0,0|3,0,0]=4 157 B11R0.279 CCCC(CCC)N[C@H](C)CC e4dd2476cb5ee1bfcf2c4f453c9c5bbe [0,1,0,0,0,0|3,0,0]=4 158 B11R0.279 CCCC(CCC)N[C@H](C)CO 1fd334970da420e75e9a85844e60e872 [0,1,0,0,0,0|3,0,0]=4 159 B11R0.279 CCCC(CCC)OC(C)CC d047272f760300b22ab15db8525dabbb [0,1,0,0,0,0|3,0,0]=4 160 B11R0.279 CCCC(CCC)OC(C)CF 45046d38bba1eaee92af75aed597140d [0,1,0,0,0,0|3,0,0]=4 161 B11R0.279 CCCC(CCC)OC(C)CS 28bf0c365bc3f053b3691b845777a7cd [0,1,0,0,0,0|3,0,0]=4 162 B11R0.279 CCCC(CCC)O[C@@H](C)CC 9ec97f7fbc39ffd33fddf82d94336455 [0,1,0,0,0,0|3,0,0]=4 163 B11R0.279 CCCC(CCC)O[C@H](C)CC cd46ee1dcf1b262fed4c6d7e952a8738 [0,1,0,0,0,0|3,0,0]=4 164 B11R0.279 CCCC(CCC)O[C@H](C)CS 72cbda525d7d71120a3688bfe90d0f8d [0,1,0,0,0,0|3,0,0]=4 165 B11R0.279 CCCN(CCC)CC(C)CC 69cf919f9b150a2fe1c132d3e1e4ed34 [0,1,0,0,0,0|3,0,0]=4 166 B11R0.279 CCCN(CCC)CC(C)CO ead8e529063cff5caaee8c71773d344a [0,1,0,0,0,0|3,0,0]=4 167 B11R0.279 CCCN(CCC)CC(C)OC bd8f83774c54006a0d55f7bcca249733 [0,1,0,0,0,0|3,0,0]=4 168 B11R0.279 CCCN(CCC)C[C@@H](C)CC 78d89b2757211b5ac974a3d2ed4368cf [0,1,0,0,0,0|3,0,0]=4 169 B11R0.279 CCCN(CCC)C[C@@H](C)CO 83b7076bedf04a54adb444283a0f6b57 [0,1,0,0,0,0|3,0,0]=4 170 B11R0.279 CCCN(CCC)C[C@@H](C)OC 765abb97ace55d072ec55b1da4f32bce [0,1,0,0,0,0|3,0,0]=4 171 B11R0.279 CCCN(CCC)C[C@H](C)CC 82da80ba54f35fdf7b9e1318f9dd2b16 [0,1,0,0,0,0|3,0,0]=4 172 B11R0.279 CCCN(CCC)C[C@H](C)CO 1df7799d546f0bf075e74787a2757f95 [0,1,0,0,0,0|3,0,0]=4 173 B11R0.279 CCCN(CCC)C[C@H](C)OC e49c396979c80289633040cc43f0e4cb [0,1,0,0,0,0|3,0,0]=4 174 B11R0.279 CCOC(CN(C)C=O)OCC d7747bfba6246d1bf17c8d764911f6fb [0,1,0,0,0,0|1,0,1]=3 175 B11R0.279 CCOC(CN(C)CC)OCC b4922118bc9e9daa38f3a08e3bb13a92 [0,1,0,0,0,0|1,0,0]=2 176 B11R0.279 CCOC(CN(C)CF)OCC 794334a94e6c8b2a6d341b4aebee5623 [0,1,0,0,0,0|1,0,0]=2 177 B11R0.279 CCOC(CN(C)CO)OCC 5676521cbbcb7a10e4679cc6848676bd [0,1,0,0,0,0|1,0,0]=2 178 B11R1.34 CC1=CC(CC(C1)C)OCF 2c249ce4c664750760c949c4279b5f63 [0,0,0,1,0,0|2,0,1]=4 179 B11R1.34 CC1CC(CC(C1)OCF)C dac18d5501689caa146bd913ee92f677 [0,0,0,1,0,0|2,0,0]=3 180 B11R1.34 CC1CC(CC(O1)C)OCF 2402fc1d9a2b2bbbe05489c8f4e8bc55 [0,0,0,1,0,0|3,0,0]=4 181 B11R1.34 CCCN1CC(CC(C1)C)C a3f8e2ab73bbc0c9780b9fa7497d9f81 [0,0,0,1,0,0|3,0,0]=4 182 B11R1.34 CCCN1C[C@@H](C[C@@H](C1)C)C 60abd9c29a600740729fcc152cdd65c0 [0,0,0,1,0,0|3,0,0]=4 183 B11R1.34 CCNC1C[C@H](O[C@H](C1)C)C 7851c680752bc9f73f8c8295652aba2f [0,0,0,1,0,0|3,0,0]=4 184 B11R1.34 CCN[C@@H]1C[C@H](O[C@H](C1)C)C 6bdff7eb901475e8c2f79871e9248d3d [0,0,0,1,0,0|3,0,0]=4 185 B11R1.34 CCN[C@H]1C[C@H](O[C@H](C1)C)C d789bc822075ad8d448123d0cfb24f3c [0,0,0,1,0,0|3,0,0]=4 186 B11R1.34 CCOC1C=C(CC(C1)C)C 7931a894782880c56f0c705bdbab3649 [0,0,0,1,0,0|1,0,1]=3 187 B11R1.34 CCOC1CC(CC(C1)C)C bbf851b4ec944197fe00764cb00b56fb [0,0,0,1,0,0|1,0,0]=2 188 B11R1.34 CCOC1CC(OC(C1)C)C 1deaebf1598b67799bb26e4aa016f06f [0,0,0,1,0,0|2,0,0]=3 189 B11R1.34 CCOC1C[C@H](O[C@H](C1)C)C 4832b237c58c24a9ef1dbd3364f55ac7 [0,0,0,1,0,0|2,0,0]=3 190 B11R1.34 CCO[C@@H]1C[C@@H](C[C@@H](C1)C)C 34269a398ccc6c4113d11e785891e7b2 [0,0,0,1,0,0|1,0,0]=2 191 B11R1.34 CCO[C@@H]1C[C@H](O[C@H](C1)C)C 49fb30a3324b3bceb08eefef0f7c247f [0,0,0,1,0,0|2,0,0]=3 192 B11R1.34 CCO[C@H]1C[C@H](O[C@H](C1)C)C bf2ef12e63d23e02018240c8aa5e01b4 [0,0,0,1,0,0|2,0,0]=3 193 B11R1.34 C[C@@H]1CC(C[C@@H](O1)C)OCF 0b1fe7e036c956f68676d1b188e761c2 [0,0,0,1,0,0|3,0,0]=4 194 B11R1.34 C[C@@H]1C[C@@H](C[C@@H](C1)OCF)C e1bb215a038a753b4327d2d0a514afe6 [0,0,0,1,0,0|2,0,0]=3 195 B11R1.34 C[C@@H]1C[C@@H](C[C@@H](O1)C)OCF 9a6cc95fbc6b17721095188d97261810 [0,0,0,1,0,0|3,0,0]=4 196 B11R1.34 C[C@@H]1C[C@H](C[C@@H](O1)C)OCF aef608bc7db85d62e967e5cde2b25d7d [0,0,0,1,0,0|3,0,0]=4 197 B11R1.57 CC(C)CC1CCCN1CF 22982068a3dd42879c0f03b3ce828167 [0,0,0,1,0,0|3,0,0]=4 198 B11R1.57 CC(C)CC1CCCN1CO b6a2cede77ce29d108f6d1a920f33e39 [0,0,0,1,0,0|3,0,0]=4 199 B11R1.57 CCC1CCCN1CC(C)C 1990dc38516a2124343f8fa433cd79c5 [0,0,0,1,0,0|3,0,0]=4 200 B11R1.57 CCN1CCCC1CC(C)C abe2f5c2462182020efee1ab28b7958f [0,0,0,1,0,0|2,0,0]=3 201 B11R1.57 CCN1CCC[C@@H]1CN(C)C 993d31093da021d516f8e7726061aeeb [0,0,0,1,0,0|3,0,0]=4 202 B11R1.57 CCN1CCC[C@H]1CN(C)C 7f710cee7ffa513e6b00439ec906ae82 [0,0,0,1,0,0|3,0,0]=4 203 B11R1.57 CC[C@@H]1CCCN1CC(C)C db1e90007326947555222bbc579f2e0f [0,0,0,1,0,0|3,0,0]=4 204 B11R1.57 CC[C@@H]1CCC[C@H]1NC(C)C 7d0ff8c8d45ce0f29a84581295e1d3f9 [0,0,0,1,0,0|3,0,0]=4 205 B11R1.110 CCNC1CCCCN(C1)C 52baa4667fab212940ffd79858ea1706 [0,0,0,1,0,0|3,0,0]=4 206 B11R1.110 CCN[C@@H]1CCCCN(C1)C d255ff243d48a272899cb56cd0e164e2 [0,0,0,1,0,0|3,0,0]=4 207 B11R1.110 CCN[C@H]1CCCCN(C1)C 67f8eca43e53405c189871d8fad51923 [0,0,0,1,0,0|3,0,0]=4 208 B11R1.110 CCOC1COCCN(C1)C d7ed3d6df70599e7a2b3589953749a57 [0,0,0,1,0,0|3,0,0]=4 209 B11R1.110 CCO[C@@H]1COCCN(C1)C 20ccc397b84e3ef1591f43af2eb554a7 [0,0,0,1,0,0|3,0,0]=4 210 B11R1.110 CCO[C@H]1COCCN(C1)C faca91db4c53dee20297aa3bf1ac706d [0,0,0,1,0,0|3,0,0]=4 211 B11R1.157 CC(C)CN1CCCC(C1)C b57ed9f8d350300b80e8ef25f54d1668 [0,0,0,1,0,0|3,0,0]=4 212 B11R1.157 CC(C)CN1CCC[C@@H](C1)C b998e03bd4ef3b3f39e5bb64fb4ff854 [0,0,0,1,0,0|3,0,0]=4 213 B11R1.157 CC(C)CN1CCC[C@H](C1)C caa967817f5429ae2f76fd7231b8889d [0,0,0,1,0,0|3,0,0]=4 214 B11R1.157 CC(C)N[C@@H]1CCC[C@H](C1)C 4fa2eda62d7914b122ae00277ba145e0 [0,0,0,1,0,0|3,0,0]=4 215 B11R1.157 CC(C)O[C@@H]1CCC[C@@H](C1)C 0a9915751c340c2589fb43def7e5038d [0,0,0,1,0,0|3,0,0]=4 216 B11R1.157 CC(C)O[C@H]1CCC[C@@H](C1)C 60681334e4b6c5cf81b6d113046ef928 [0,0,0,1,0,0|3,0,0]=4 217 B11R1.157 CC(C)O[C@H]1CCC[C@H](C1)C a2cf43a3be52c908712819425810f9c4 [0,0,0,1,0,0|3,0,0]=4 218 B11R1.157 CC1CCCC(C1)NC(C)C 1c7820f57acd0e28d8d0ccb2b9b09a37 [0,0,0,1,0,0|3,0,0]=4 219 B11R1.157 CC1CCCC(C1)OC(C)C c568b195209cb452caeb1f4cd28f5d68 [0,0,0,1,0,0|3,0,0]=4 220 B11R1.183 CCO[C@@H]1CN(C[C@H]1OC)C a74cc4c9074e7833bb65d0bc63c15fd0 [0,0,0,1,0,0|3,0,0]=4 221 B11R1.183 CCO[C@H]1CN(C[C@@H]1OC)C d14b429956fe447ca0286763a2b3c63a [0,0,0,1,0,0|3,0,0]=4 222 B11R1.193 CC(C)C1CCCC1OCF 471854ba36558e0d4577d4a312cae20f [0,0,0,1,0,0|2,0,0]=3 223 B11R1.193 CCCC1SCCN1C(C)C 7bc3e3051a39db6a95a4e1142bebea5f [0,0,0,1,0,0|2,1,0]=4 224 B11R1.193 CCCN1CCCC1C(C)C 678f1b8a2234adbac752868752c0d326 [0,0,0,1,0,0|3,0,0]=4 225 B11R1.193 CCCN1CCC[C@H]1C(C)C 2fab88a9da93b036d7ca5fa4c7e04532 [0,0,0,1,0,0|3,0,0]=4 226 B11R1.193 CCN[C@@H]1CCC[C@H]1N(C)C 361f3f9335f00d900905375f2982d130 [0,0,0,1,0,0|3,0,0]=4 227 B11R1.193 CCN[C@H]1CCC[C@@H]1N(C)C c8ca8d91e4b3891ffe7f6c60c1a2b619 [0,0,0,1,0,0|3,0,0]=4 228 B11R1.193 CCOC1CCCC1C(C)C a39e619ea631bec3e02dabd96add76b0 [0,0,0,1,0,0|1,0,0]=2 229 B11R1.193 CCOC1CCCC1N(C)C 810e6b5b7c5f373208a20a89d222791b [0,0,0,1,0,0|2,0,0]=3 230 B11R1.193 CCO[C@@H]1CCC[C@H]1N(C)C 75d76e004f789acbaaae6b18fbce9161 [0,0,0,1,0,0|2,0,0]=3 231 B11R1.193 CN(C)C1CCCC1OCF 4a89367dc231d520ecb10091a9ea9eba [0,0,0,1,0,0|3,0,0]=4 232 B11R1.193 CN(C)[C@@H]1CCC[C@H]1OCF 64584f04ccb0b366cdc6e36af7506a20 [0,0,0,1,0,0|3,0,0]=4 233 B11R1.342 CC1(CC(CCO1)OCF)C dc8b03cb90fe9e182230c1171e5dc60b [0,0,0,1,0,0|3,0,0]=4 234 B11R1.342 CC1(CCCC(C1)NCF)C 27bae86595233ece6443feec332513cc [0,0,0,1,0,0|3,0,0]=4 235 B11R1.342 CC1(CCCC(C1)NCO)C 9d02a103e85aba847676660becc1db6a [0,0,0,1,0,0|3,0,0]=4 236 B11R1.342 CC1(CCCC(C1)OCF)C 11289b807a5d8f31d93a28264070a651 [0,0,0,1,0,0|2,0,0]=3 237 B11R1.342 CC1(CCC[C@@H](C1)NCF)C 3632480718365d7d5a703089820d7829 [0,0,0,1,0,0|3,0,0]=4 238 B11R1.342 CC1(CCC[C@@H](C1)NCO)C 85ca501726909f77fbe651f0b85295e4 [0,0,0,1,0,0|3,0,0]=4 239 B11R1.342 CC1(CCC[C@H](C1)NCF)C 313c7546bb1e705d808c2a38bd43bb72 [0,0,0,1,0,0|3,0,0]=4 240 B11R1.342 CC1(CCC[C@H](C1)NCO)C ef81b6b9fd2b272cfa7f77c8ead46df8 [0,0,0,1,0,0|3,0,0]=4 241 B11R1.342 CC1(C[C@@H](CCO1)OCF)C 2b51edc33539cc6d0c987dfa6074964d [0,0,0,1,0,0|3,0,0]=4 242 B11R1.342 CCCN1CCCC(C1)(C)C da8d8a6e6fb979612ab48564dff49869 [0,0,0,1,0,0|3,0,0]=4 243 B11R1.342 CCNC1CCCC(C1)(C)C 19b48260fd9ffc1763c77621472251ab [0,0,0,1,0,0|2,0,0]=3 244 B11R1.342 CCNC1CCCC(C1)(C)O 549dd49aa20c1f3ede99327a18bb7bef [0,0,0,1,0,0|3,0,0]=4 245 B11R1.342 CCNC1CCOC(C1)(C)C 5794f1486a0e1e2e880b20c0f67f26ce [0,0,0,1,0,0|3,0,0]=4 246 B11R1.342 CCN[C@@H]1CCCC(C1)(C)C 72994662b9391d6da9ae231509e0ca83 [0,0,0,1,0,0|2,0,0]=3 247 B11R1.342 CCN[C@@H]1CCC[C@@](C1)(C)O b6ba98799d3f0d364910985759d73e64 [0,0,0,1,0,0|3,0,0]=4 248 B11R1.342 CCN[C@@H]1CCC[C@](C1)(C)O f3d6cd8061fcc046a14dd529e1ae9d4c [0,0,0,1,0,0|3,0,0]=4 249 B11R1.342 CCN[C@@H]1CCOC(C1)(C)C 0835e3f64d8203ff1c33eea11937833f [0,0,0,1,0,0|3,0,0]=4 250 B11R1.342 CCN[C@H]1CCCC(C1)(C)C a3cda0c7337c67f69122c74e012d0026 [0,0,0,1,0,0|2,0,0]=3 251 B11R1.342 CCN[C@H]1CCOC(C1)(C)C 3955b6530cf2c88838e0f13e6972a972 [0,0,0,1,0,0|3,0,0]=4 252 B11R1.342 CCOC1CCOC(C1)(C)C 816827ae8b1b000673828a570bdf0d47 [0,0,0,1,0,0|2,0,0]=3 253 B11R1.342 CCO[C@@H]1CCOC(C1)(C)C 8f02e71d8b2ae3c2242e8c3f99889252 [0,0,0,1,0,0|2,0,0]=3 254 B11R1.742 CC(C)CN1CCCCCC1 bddcfb09854b53e7398a70fcbd7adc6c [0,0,0,1,0,0|3,0,0]=4 255 B11R1.742 CC(C)NC1CCCCCC1 e2c3ba367683d489f8b42fe23c91b490 [0,0,0,1,0,0|3,0,0]=4 256 B11R1.742 CC(C)OC1CCCCCC1 49cd74212008956419b032828c1aeb5a [0,0,0,1,0,0|3,0,0]=4 257 B11R1.799 CCCC(CCC)NC1CC1 89efa1d4c737441466ba38c2b3ce67c9 [0,0,0,1,0,0|3,0,0]=4 258 B11R1.799 CCCC(CCC)OC1CC1 a336f109abbcd1c12d4eb2e4941056cb [0,0,0,1,0,0|3,0,0]=4 259 B11R1.799 CCCN(CCC)CC1CC1 c4c697dd3770a8f62e0e6dd396298940 [0,0,0,1,0,0|3,0,0]=4 260 B11R1.804 CCCN(CC(C)C)C1CC1 327cead20392c0ccbfacbeaffda66ca9 [0,0,0,1,0,0|3,0,0]=4 261 B9R0.15 CCCC(OCC)C(C)C e92d999be069504d5fc7f6e2735d7a96 [0,0,0,0,1,0|1,0,0]=2 262 B9R0.15 CCCC(OCF)C(C)C 0ef7c4f36b8fd0d0fc148d8413dbc8c9 [0,0,0,0,1,0|2,0,0]=3 263 B9R0.15 CCCN(CCC)C(C)C 8c512a0d433f1c6ed1adeb0669663d0d [0,0,0,0,1,0|3,0,0]=4 264 B9R0.15 CCNC(CCO)C(C)C d8e9cbf3c0409b969a09e398d2e8b9b2 [0,0,0,0,1,0|3,0,0]=4 265 B9R0.15 CCNC(COC)C(C)C 383e71bfc3866e57cf9f7c8417f3d0af [0,0,0,0,1,0|3,0,0]=4 266 B9R0.15 CCN[C@@H](COC)C(C)C ef3bd74c2384a9feea207d6e1b2ce6c7 [0,0,0,0,1,0|3,0,0]=4 267 B9R0.15 CCN[C@H](COC)C(C)C 3b633f9e0f1aa8a8729827f303eba54c [0,0,0,0,1,0|3,0,0]=4 268 B9R0.15 CCOC(OCC)C(F)F ccb9ab84ca5c6a29c68e094d3eaaec6f [0,0,0,0,1,0|2,0,0]=3 269 B9R0.15 CCOC(OCF)C(F)F 99b4ec5c2892d1966c4518a34ae56238 [0,0,0,0,1,0|3,0,0]=4 270 B11R0.280 CCCC(CCC)COC(C)C fd35213efeff70d849bf2b4fa99037c5 [0,0,0,0,0,1|2,0,0]=3 271 B11R0.280 CCCC(CCC)NCC(C)C f2b7b520202379e3ec3da580874b451c [0,0,0,0,0,1|2,0,0]=3 272 B11R0.280 CCCC(CCC)NCC(C)O 66a8bb4fed07165064787b4c5a95d191 [0,0,0,0,0,1|3,0,0]=4 273 B11R0.280 CCCC(CCC)NCN(C)C 8f8b95e81c38ecaa409e69123b10dd2c [0,0,0,0,0,1|3,0,0]=4 274 B11R0.280 CCCC(CCC)NC[C@@H](C)O f9fb895e6f81e42450bc9f84331818ff [0,0,0,0,0,1|3,0,0]=4 275 B11R0.280 CCCC(CCC)NC[C@H](C)O 8b439e287844bfbe3ad745a6722f931b [0,0,0,0,0,1|3,0,0]=4 276 B11R0.280 CCCC(CCC)OCC(C)C ebf9f986d37eba3758b83cc7fc4ae037 [0,0,0,0,0,1|2,0,0]=3 277 B11R0.280 CCCC(CCC)OCC(C)F c9384bcbdc3258b3d9ac871e28b1b4ad [0,0,0,0,0,1|3,0,0]=4 278 B11R0.280 CCCC(CCC)OCC(C)S 63fec1e5eae41f9cbdb72b731ad701ca [0,0,0,0,0,1|3,0,0]=4 279 B11R0.280 CCCC(CCC)OCN(C)C 1a2bef049781b740001b969de0296b85 [0,0,0,0,0,1|3,0,0]=4 280 B11R0.280 CCCC(CCC)OC[C@@H](C)F 1fac1995a6d168d90df17609b8317f61 [0,0,0,0,0,1|3,0,0]=4 281 B11R0.280 CCCC(CCC)OC[C@H](C)F 60d86f4737567aa70091e68d7fb49690 [0,0,0,0,0,1|3,0,0]=4 282 B11R0.280 CCCC(CCO)NCC(C)C 1970469c1b72c3f33a054d0ccf9b2d87 [0,0,0,0,0,1|3,0,0]=4 283 B11R0.280 CCCN(CCC)CCC(C)C 2fa0297e0c2d9daec23ba42fd5f965f2 [0,0,0,0,0,1|3,0,0]=4 284 B11R0.280 CCCN(CCC)COC(C)C a426e23374ef18fdc8b61c643d8436ee [0,0,0,0,0,1|3,0,0]=4 285 B11R0.280 CCOC(CNC(=O)C)OCC ffe472273d8d42569ba24a34cee346e4 [0,0,0,0,0,1|1,0,1]=3 286 B11R0.280 CCOC(CNC(C)C)OCC f326a980b8ea0cf66723664a4206ebe4 [0,0,0,0,0,1|0,0,0]=1 287 B11R0.280 CCOC(COC(C)C)OCC 6a1b8ce788d88d5d6bb3b458201ab4a7 [0,0,0,0,0,1|0,0,0]=1 288 B8R0.5 CC(C)CC(C)NCF 2947eae3bc5a2ca3b413e712dc2d17ba [2,0,0,0,0,0|2,0,0]=4 289 B8R0.5 CC(C)CC(C)NCO fda8b77345a43971581a5fdf198496ed [2,0,0,0,0,0|2,0,0]=4 290 B8R0.5 CC(C)CC(C)OCF df3d77bcb70b379ba02111d4ab191925 [2,0,0,0,0,0|1,0,0]=3 291 B8R0.5 CC(C)C[C@@H](C)OCF f59d7cb8778da0cafb571f6f713e384e [2,0,0,0,0,0|1,0,0]=3 292 B8R0.5 CC(C)C[C@H](C)OCF 2266bd706cca147fe8369e224957217a [2,0,0,0,0,0|1,0,0]=3 293 B8R0.5 CC(CN(C)C)OCF 69d4713ee06b2675e560eea99c487e4e [2,0,0,0,0,0|2,0,0]=4 294 B8R0.5 CCCC(C)NC(C)C f8bb5c8de6d4ec16bb81d8451bfb16da [2,0,0,0,0,0|2,0,0]=4 295 B8R0.5 CCCC(C)OC(C)C af28c67907ad8e9b80a1443e1881a09f [2,0,0,0,0,0|2,0,0]=4 296 B8R0.5 CCCN(C)CC(C)C 2b43726cfeef4d65e0d306fc15d81329 [2,0,0,0,0,0|2,0,0]=4 297 B8R0.5 CCC[C@@H](C)OC(C)C 38af500727caf5ac56759d6ba34645ea [2,0,0,0,0,0|2,0,0]=4 298 B8R0.5 CCC[C@H](C)NC(C)C f5cc882f68b964118786668968029765 [2,0,0,0,0,0|2,0,0]=4 299 B8R0.5 CCC[C@H](C)OC(C)C 39fe789680e7206034f6b275f2ba377c [2,0,0,0,0,0|2,0,0]=4 300 B8R0.5 CCNC(C)CC(C)C 865caec34869d14200fe8a23ded15c61 [2,0,0,0,0,0|1,0,0]=3 301 B8R0.5 CCNC(C)CC(C)O 43b202ae8ff1647314607d5a8e6eab62 [2,0,0,0,0,0|2,0,0]=4 302 B8R0.5 CCNC(C)CN(C)C 3647b655ca2afa948df2daf8e7b3863a [2,0,0,0,0,0|2,0,0]=4 303 B8R0.5 CCN[C@@H](C)CN(C)C 73dbe197bb194ada6ceef16a3da0165d [2,0,0,0,0,0|2,0,0]=4 304 B8R0.5 CCN[C@H](C)CN(C)C a51baa1074a724bab895601c4ea99cae [2,0,0,0,0,0|2,0,0]=4 305 B8R0.5 CCOC(C)CC(C)C 30e2f8e558cfdda4b507d2297dd2dc70 [2,0,0,0,0,0|0,0,0]=2 306 B8R0.5 CCOC(C)CN(C)C 37b413e4bc800fbab3da37dd4e9fe161 [2,0,0,0,0,0|1,0,0]=3 307 B8R0.5 CCO[C@@H](C)CC(C)C 1e2bdc5c56411fd3cd17ac1c2858063c [2,0,0,0,0,0|0,0,0]=2 308 B8R0.5 CCO[C@@H](C)CN(C)C ae40d79a21e92f2f1cf9ae60d7945b2b [2,0,0,0,0,0|1,0,0]=3 309 B8R0.5 CCO[C@H](C)CC(C)C 914881db7ee4a9dab17d292ad412afd8 [2,0,0,0,0,0|0,0,0]=2 310 B8R0.5 CCO[C@H](C)CN(C)C 28a6b24d1c425360d0b5ae251533cba1 [2,0,0,0,0,0|1,0,0]=3 311 B8R0.5 C[C@@H](CN(C)C)OCF 0ae620374e429262e91713db1eeeaaa0 [2,0,0,0,0,0|2,0,0]=4 312 B8R0.5 C[C@H](CN(C)C)OCF 133aec32b6e9a70d8206d9599e505baf [2,0,0,0,0,0|2,0,0]=4 313 B8R0.16 CCC(CC)NC(C)C 8e569a16a5a022835444ad9b9b666832 [2,0,0,0,0,0|1,0,0]=3 314 B8R0.16 CCC(CC)OC(C)C 0d36ea4bc357375b974f87de9390eb5f [2,0,0,0,0,0|1,0,0]=3 315 B8R0.16 CCC(CO)NC(C)C 6d2b06241841be179656caac4c009868 [2,0,0,0,0,0|2,0,0]=4 316 B8R0.16 CCN(CC)CC(C)C 87a5706d2b796b063f175db9c5e79998 [2,0,0,0,0,0|1,0,0]=3 317 B8R0.16 CCN(CC)CC(C)O d8bc58b8f382f5371f0e94bb242901d6 [2,0,0,0,0,0|2,0,0]=4 318 B8R0.16 CCN(CC)C[C@H](C)O e8ae75fa00192b49e2affddcedaf538e [2,0,0,0,0,0|2,0,0]=4 319 B8R0.16 CCN(CF)CC(C)C 744b366c959b404d2df0a0600b06b37b [2,0,0,0,0,0|2,0,0]=4 320 B8R0.16 CCN(CO)CC(C)C f806f0f6352a8332de429236acf734d1 [2,0,0,0,0,0|2,0,0]=4 321 B8R0.16 CC[C@@H](CO)NC(C)C 13f186e709769d2121c3d0296f257911 [2,0,0,0,0,0|2,0,0]=4 322 B8R0.16 CC[C@H](CO)NC(C)C b6223ac7c8fb08c8210a0aedb029ff0d [2,0,0,0,0,0|2,0,0]=4 323 B8R0.22 C#CC(CCC)OCC f22d8bf31fea2adfe9fa207ed6558425 [2,0,0,0,0,0|0,0,2]=4 324 B8R0.22 C#CCC(CC)OCC 429ada3bf02fda515e344a1961ca3855 [2,0,0,0,0,0|0,0,2]=4 325 B8R0.22 C=CC(CCC)OCC 83f7ef8d30a51e1e5c4db64e2faf14e7 [2,0,0,0,0,0|0,0,2]=4 326 B8R0.22 CCC(COC)OCF e4a3f6d1c69a2354f3937d8ddd14d68d [2,0,0,0,0,0|2,0,0]=4 327 B8R0.22 CCC(CSC)OCF 2ad6205708c499d48b4ee5a13ffd89a9 [2,0,0,0,0,0|2,0,0]=4 328 B8R0.22 CCCC(C#N)OCC a338cf0a28ea8309ca076bf548560d98 [2,0,0,0,0,0|1,0,1]=4 329 B8R0.22 CCCC(CC)OCC 2f33f90cfe6f34bcef6403a269e3e2c2 [2,0,0,0,0,0|0,0,0]=2 330 B8R0.22 CCCC(CC)OCF ce7c200aebd362fbdb26e3cffa550e7b [2,0,0,0,0,0|1,0,0]=3 331 B8R0.22 CCCC(CO)NCC b8c7f0be112f24c01dd7f8415b0a6e3f [2,0,0,0,0,0|2,0,0]=4 332 B8R0.22 CCCN(CC)CCC fbdeabbee1b9c3e90ce0dba0622f60e1 [2,0,0,0,0,0|2,0,0]=4 333 B8R0.22 CCC[C@@H](CC)OCC b58a52b0075a76b2b518807461776ed4 [2,0,0,0,0,0|0,0,0]=2 334 B8R0.22 CCC[C@@H](CC)OCF 7aa5f0ec7ab4c268dbb1cc54d34ff94b [2,0,0,0,0,0|1,0,0]=3 335 B8R0.22 CCC[C@@H](CO)NCC 56ab3d096c6223ec587ad816d0445356 [2,0,0,0,0,0|2,0,0]=4 336 B8R0.22 CCC[C@H](CO)NCC 9c47d0227f2e89819e7d2ecbd9f9d4a0 [2,0,0,0,0,0|2,0,0]=4 337 B8R0.22 CCNC(CC)COC 521c86a50c9523c65950c003b096c2ad [2,0,0,0,0,0|2,0,0]=4 338 B8R0.22 CCOC(CBr)CCBr bf0b9f756baa32efc7ef5720cc6f409c [2,0,0,0,0,0|2,0,0]=4 339 B8R0.22 CCOC(CC)CC#N b51f9a6ab553208797a0e3e5dafe2841 [2,0,0,0,0,0|1,0,1]=4 340 B8R0.22 CCOC(CC)COC 5abfd343e0b4d1c299a8c6b54e73b27d [2,0,0,0,0,0|1,0,0]=3 341 B8R0.22 CCOC(CC)CSC 8ed7b9fab73898e63015d64833b57a87 [2,0,0,0,0,0|1,0,0]=3 342 B8R0.22 CCOC(CCl)CCCl 5c073036ccca816860f171e244686a83 [2,0,0,0,0,0|2,0,0]=4 343 B8R0.22 CCO[C@H](CC)CC#N 0b719200a1cb6d6b1a758e5b97a05ecd [2,0,0,0,0,0|1,0,1]=4 344 B10R0.8 CCCC(CC)NC(C)(C)C 57eaffe258a0ee1013329330c049224f [1,1,0,0,0,0|2,0,0]=4 345 B10R0.8 CCCN(CC)CC(C)(C)C 4bde22a6a2171b4904589e2834e2a1f2 [1,1,0,0,0,0|2,0,0]=4 346 B10R0.8 CCCN(CC)CC(C)(C)F 79dabacbd396dc80d05b2c241affca12 [1,1,0,0,0,0|2,0,0]=4 347 B10R0.8 CCCN(CC)CC(C)(C)O c0b47119245ecbe4da150a6302961365 [1,1,0,0,0,0|2,0,0]=4 348 B10R0.8 CCN[C@@H](CO)CC(C)(C)C 8114078c774e2ddcf9e86b1ff2dd5451 [1,1,0,0,0,0|2,0,0]=4 349 B10R0.23 CC(C)CC(OCF)C(C)C 627c09bbc0b0dfba7936a9797730c959 [1,1,0,0,0,0|1,0,0]=3 350 B10R0.23 CCCC(OC(C)C)C(C)C 74eae23888de5b0ed1a230e7259d7981 [1,1,0,0,0,0|2,0,0]=4 351 B10R0.23 CCCN(CC(C)C)C(C)C ca18beb99cb1a7b9a6e727bf1d354702 [1,1,0,0,0,0|2,0,0]=4 352 B10R0.23 CCNC(CN(C)C)C(C)C e411ebdeff103426c914495e831e656e [1,1,0,0,0,0|2,0,0]=4 353 B10R0.23 CCOC(CC(C)C)C(=O)O e2caa3c53330a52261c49a4c1630e1ef [1,1,0,0,0,0|1,0,1]=4 354 B10R0.23 CCOC(CC(C)C)C(C)C 20b842d0f627fd83131c77b26b4f4771 [1,1,0,0,0,0|0,0,0]=2 355 B10R0.23 CCOC(OC(C)C)C(F)F 85c8c64fe77e7068c82ad50019c82bb9 [1,1,0,0,0,0|2,0,0]=4 356 B10R0.23 CCO[C@@H](CC(C)C)C(=O)O 66b4e902b7a3f9edc39f31ff04addf4f [1,1,0,0,0,0|1,0,1]=4 357 B10R0.23 CCO[C@H](CC(C)C)C(=O)O 8f3baa8613c06f36de7bbe67327be670 [1,1,0,0,0,0|1,0,1]=4 358 B10R0.25 CCCC(CC)N(C)C(C)C 84a6bac90bf07e8b3fb19663f9f145b5 [1,1,0,0,0,0|2,0,0]=4 359 B10R0.25 CCCN(CC)C(C)C(C)C aff246f731f1559fbbacb190df1b0599 [1,1,0,0,0,0|2,0,0]=4 360 B10R0.29 CCC(C)CC(CC)OCF 41a05364063d6ffd3b2c7fcb5bdb8254 [1,1,0,0,0,0|1,0,0]=3 361 B10R0.29 CCCC(CC)NC(C)CC 015d7ba89f5ffd6fd901c6062fc80b36 [1,1,0,0,0,0|2,0,0]=4 362 B10R0.29 CCCC(CC)NC(C)CO 212b2cd9ceb57880b7d0a5fca920bc7d [1,1,0,0,0,0|2,0,0]=4 363 B10R0.29 CCCC(CC)N[C@@H](C)CC 1c338e3597d29c48d385031e66de855e [1,1,0,0,0,0|2,0,0]=4 364 B10R0.29 CCCC(CC)N[C@@H](C)CO ed209cbc7556fe656f8ec724133acd17 [1,1,0,0,0,0|2,0,0]=4 365 B10R0.29 CCCC(CC)N[C@H](C)CC 22625f5898aed46581683c1ea27256e5 [1,1,0,0,0,0|2,0,0]=4 366 B10R0.29 CCCC(CC)N[C@H](C)CO e11d25d3282282b46ab4da9f80815482 [1,1,0,0,0,0|2,0,0]=4 367 B10R0.29 CCCC(CC)OC(C)CC fcd36915771bb6b32b72e52e68eabd5d [1,1,0,0,0,0|2,0,0]=4 368 B10R0.29 CCCC(CC)OC(C)CF 3585022102d61cd1f0ff308195059b5a [1,1,0,0,0,0|2,0,0]=4 369 B10R0.29 CCCC(CC)OC(C)CS b06f8b7368fdeafe75b407663ebe29a4 [1,1,0,0,0,0|2,0,0]=4 370 B10R0.29 CCCC(CC)O[C@@H](C)CC a6ca04b5ef3d4afeb3de957ee48dd049 [1,1,0,0,0,0|2,0,0]=4 371 B10R0.29 CCCC(CC)O[C@H](C)CC a30b2df966a47fbbe8b0774a68e6b527 [1,1,0,0,0,0|2,0,0]=4 372 B10R0.29 CCCC(CC)O[C@H](C)CS 762ed22a6150f59227df0c44143894ff [1,1,0,0,0,0|2,0,0]=4 373 B10R0.29 CCCN(CC)CC(C)CC 58c9018e6a0fba6380c7bcbc02a22530 [1,1,0,0,0,0|2,0,0]=4 374 B10R0.29 CCCN(CC)CC(C)CO 790d03ef0666ec96e7f4886de0d01340 [1,1,0,0,0,0|2,0,0]=4 375 B10R0.29 CCCN(CC)CC(C)OC 9c45c4b8567fab00f31f9148242bd0af [1,1,0,0,0,0|2,0,0]=4 376 B10R0.29 CCCN(CC)C[C@@H](C)CC 0de88d144911173c28c0c6696afb9f2a [1,1,0,0,0,0|2,0,0]=4 377 B10R0.29 CCCN(CC)C[C@@H](C)CO f033c2825420cad24204f981390c590a [1,1,0,0,0,0|2,0,0]=4 378 B10R0.29 CCCN(CC)C[C@@H](C)OC baa9a0f1f652aae197d188940b77224b [1,1,0,0,0,0|2,0,0]=4 379 B10R0.29 CCCN(CC)C[C@H](C)CC 84705de7e8827358ed8229fde8c5d749 [1,1,0,0,0,0|2,0,0]=4 380 B10R0.29 CCCN(CC)C[C@H](C)CO e43683e3cfcc5914fe52768c2fce97e4 [1,1,0,0,0,0|2,0,0]=4 381 B10R0.29 CCCN(CC)C[C@H](C)OC b8ecae98b564e35b2ed6b080458b59ee [1,1,0,0,0,0|2,0,0]=4 382 B10R0.29 CCC[C@@H](CC)OC(C)CC 6da8a8902947c14a1deec51d18ccd71b [1,1,0,0,0,0|2,0,0]=4 383 B10R0.29 CCOC(CC)CC(=O)OC 0ab76ded658d38832ce69989a10ab153 [1,1,0,0,0,0|1,0,1]=4 384 B10R0.29 CCOC(CC)CC(C)CC 9029eae817039680df672d77d387d244 [1,1,0,0,0,0|0,0,0]=2 385 B10R0.29 CCOC(CC)CN(C)CC 5fa1b27578809723ab19cc67efea44ed [1,1,0,0,0,0|1,0,0]=3 386 B10R0.29 CCO[C@@H](CC)CC(=O)OC 4b8d3b6cd03b05912fe4dc858affbe40 [1,1,0,0,0,0|1,0,1]=4 387 B10R0.29 CCO[C@H](CC)CC(=O)OC 5a142e6a833e5a8180041d399c0456c7 [1,1,0,0,0,0|1,0,1]=4 388 B10R0.54 CCC(=O)C(CC)OC(C)C 09fca124c8ee51831e0e413ab4479696 [1,1,0,0,0,0|2,0,0]=4 389 B10R0.54 CCC(=O)N(CC)CC(C)C 88a0ba8f5dbabc1b2233dab22d15b949 [1,1,0,0,0,0|2,0,0]=4 390 B10R0.54 CCC(C)N(CC)CC(C)C cf8e9db41cd17f86b0359134dccbaa57 [1,1,0,0,0,0|2,0,0]=4 391 B10R0.54 CCC(O)C(CC)NC(C)C b826375d586bf1491c80b52c3b5820fd [1,1,0,0,0,0|2,0,0]=4 392 B10R0.70 C#CC(CC(C)C)OC(C)C 5fcde59f96d422aaded51370fecfc5e2 [1,1,0,0,0,0|0,0,2]=4 393 B10R0.70 C=CC(CC(C)C)OC(C)C 7c45dbc7be6a95c0d485ff2bbb7c8019 [1,1,0,0,0,0|0,0,2]=4 394 B10R0.70 CC(C)CC(C#N)OC(C)C ea223070730a2e28cd9bcebcf3469c10 [1,1,0,0,0,0|1,0,1]=4 395 B10R0.70 CC(C)CC(CO)NC(C)C 569811fe3036acf596f836b8e970ac4e [1,1,0,0,0,0|2,0,0]=4 396 B10R0.70 CC(C)C[C@@H](CO)NC(C)C b9551467956c0a235785d2276deaabc7 [1,1,0,0,0,0|2,0,0]=4 397 B10R0.70 CC(C)C[C@H](CO)NC(C)C a65487576546036e2f3d704127b2b9c7 [1,1,0,0,0,0|2,0,0]=4 398 B10R0.70 CCC(CN(C)C)NC(C)C dbe81f2f81001a115b0ecdc2c62c0995 [1,1,0,0,0,0|2,0,0]=4 399 B10R0.70 CCN(CC(C)C)CC(C)C fda21cc4a4bd416ff158530e9f48ddf3 [1,1,0,0,0,0|2,0,0]=4 400 B10R0.70 CCN(CC(C)C)CC(C)O 5778b1af299c3cf9bcd0872f240bb78b [1,1,0,0,0,0|2,0,0]=4 401 B10R0.70 CCN(CC(C)C)C[C@@H](C)O c055f106040a2ecb43da04a3a1a83291 [1,1,0,0,0,0|2,0,0]=4 402 B10R0.70 CCN(CC(C)C)C[C@H](C)O f4131b3ac4303ceea35c11f70413c1e6 [1,1,0,0,0,0|2,0,0]=4 403 B10R0.70 CC[C@H](CN(C)C)OC(C)C 8fe85ec1ace48179052ff134464fc8ef [1,1,0,0,0,0|1,0,0]=3 404 B10R0.87 C#CC(CC(C)C)OCCC d7ed492f49f1411e062942f02193d04d [1,1,0,0,0,0|0,0,2]=4 405 B10R0.87 C#CC(CC(C)C)OCCF 4087346d74b09e8090e58cc8c77cb6a0 [1,1,0,0,0,0|0,0,2]=4 406 B10R0.87 C#CC(CC(C)C)OCCS 8c7c68202edf9270666f03043e1a7a80 [1,1,0,0,0,0|0,0,2]=4 407 B10R0.87 C#CC(CC(C)C)OCOC a90f5291f45aceb39ef4ebc46180a55a [1,1,0,0,0,0|0,0,2]=4 408 B10R0.87 C#CC(CC(C)C)OCSC 6b8008e136fbd9d26ffb797a65c6982d [1,1,0,0,0,0|0,0,2]=4 409 B10R0.87 C#CCO[C@H](CC)CN(C)C dafd4182e49502453d76d630ab7bcf12 [1,1,0,0,0,0|1,0,1]=4 410 B10R0.87 C=CC(CC(C)C)OCCC fe860da6e562c209407a0eb8d0990b5f [1,1,0,0,0,0|0,0,2]=4 411 B10R0.87 C=CC(CC(C)C)OCCF 5036eb74821bd4a462ce4dec9e16f01c [1,1,0,0,0,0|0,0,2]=4 412 B10R0.87 C=CC(CC(C)C)OCCS 1d3a44a0e48e2424a0047ae3f2aacde6 [1,1,0,0,0,0|0,0,2]=4 413 B10R0.87 C=CC(CC(C)C)OCOC aea02721c95419cc676ee7e245bec9d5 [1,1,0,0,0,0|0,0,2]=4 414 B10R0.87 C=CC(CC(C)C)OCSC 013337f7cd2bc1fb2f283c46d1acedaf [1,1,0,0,0,0|0,0,2]=4 415 B10R0.87 C=CCO[C@H](CC)CN(C)C d92588cd731f3ff3adb7c9a7300868a9 [1,1,0,0,0,0|1,0,1]=4 416 B10R0.87 CC(C)CC(C#N)OCCF 0f5133f2a0a10d1a5661be8c4c3edb2b [1,1,0,0,0,0|1,0,1]=4 417 B10R0.87 CC(C)CC(C#N)OCCS fbf2ed6ad2223e114dc8c5275f8d8a1d [1,1,0,0,0,0|1,0,1]=4 418 B10R0.87 CC(C)CC(CO)NCCF 9c3884ad140e8781751e339a8557cd60 [1,1,0,0,0,0|2,0,0]=4 419 B10R0.87 CC(C)CC(CO)NCCO 848bbb7c48217144e4d7350bcce0914e [1,1,0,0,0,0|2,0,0]=4 420 B10R0.87 CC(C)CC(CO)NCCS 11b2b143ecef1a12b2cb8e0e98bccdca [1,1,0,0,0,0|2,0,0]=4 421 B10R0.87 CC(C)C[C@@H](CO)NCCF dd4addbe0db4efe8cb54e88409cac409 [1,1,0,0,0,0|2,0,0]=4 422 B10R0.87 CC(C)C[C@@H](CO)NCCO 484ef1b134a9134ae1781ad59ab22579 [1,1,0,0,0,0|2,0,0]=4 423 B10R0.87 CC(C)C[C@@H](CO)NCCS ef1a3e28c6fcb5d9900d8b385ac99f0a [1,1,0,0,0,0|2,0,0]=4 424 B10R0.87 CC(C)C[C@H](CO)NCCF 4a47bcf5bcc91d424a2aee80dcd1de51 [1,1,0,0,0,0|2,0,0]=4 425 B10R0.87 CC(C)C[C@H](CO)NCCO 5f5366f97adaf9891479ed7d8179969c [1,1,0,0,0,0|2,0,0]=4 426 B10R0.87 CC(C)C[C@H](CO)NCCS f00be89b2af0f0ac15c42695bf7ff2e8 [1,1,0,0,0,0|2,0,0]=4 427 B10R0.87 CCC(CN(C)C)NCCF 5847664b1aa48a7561f52d1f7600f3f1 [1,1,0,0,0,0|2,0,0]=4 428 B10R0.87 CCC(CN(C)C)NCCO 8a524ba14509727d8641a1db93d875af [1,1,0,0,0,0|2,0,0]=4 429 B10R0.87 CCC(CN(C)C)NCCS d3b84944c3a7f084a0de5f4f8c40efc0 [1,1,0,0,0,0|2,0,0]=4 430 B10R0.87 CCC(CN(C)C)NCOC b1fc83dafd3d755fdc15e920fc82f6d8 [1,1,0,0,0,0|2,0,0]=4 431 B10R0.87 CCC(CN(C)C)NCSC edada97facdba2d556187e31330eba4f [1,1,0,0,0,0|2,0,0]=4 432 B10R0.87 CCC(COCF)CC(C)C ab7e1b5c8c94eb063834d0f799ea6079 [1,1,0,0,0,0|1,0,0]=3 433 B10R0.87 CCCCC(CC)OC(C)C 9d95422ff0931d427d6895c9fbee7ac7 [1,1,0,0,0,0|2,0,0]=4 434 B10R0.87 CCCCN(CC)CC(C)C a3b33e6e532d9c5d20f8da67bc4f1f33 [1,1,0,0,0,0|2,0,0]=4 435 B10R0.87 CCCNC(CC)CN(C)C 4dcd6c368db304cc5df14169e8518bb6 [1,1,0,0,0,0|2,0,0]=4 436 B10R0.87 CCCNC(CO)CC(C)C 66275bccc75285eb86fdf44456459cd6 [1,1,0,0,0,0|2,0,0]=4 437 B10R0.87 CCCN[C@@H](CO)CC(C)C 69afae0d420682622fead7a33098b64a [1,1,0,0,0,0|2,0,0]=4 438 B10R0.87 CCCN[C@H](CO)CC(C)C c478b203de3600efe9e5f801083b424f [1,1,0,0,0,0|2,0,0]=4 439 B10R0.87 CCCOC(C#N)CC(C)C c861b483b8687628055a9389d7eb3099 [1,1,0,0,0,0|1,0,1]=4 440 B10R0.87 CCCO[C@H](CC)CN(C)C c51c4cbaa52906aad4100b92985a4182 [1,1,0,0,0,0|1,0,0]=3 441 B10R0.87 CCN(CCCF)CC(C)C fc0f16072b2bc36953596b96b123a515 [1,1,0,0,0,0|2,0,0]=4 442 B10R0.87 CCN(CCCO)CC(C)C 5bd34f3dbba63fd322ac347e3dfc8d86 [1,1,0,0,0,0|2,0,0]=4 443 B10R0.87 CCN(CCCS)CC(C)C d86bbe970ccbca7f89abf71a764ce3fb [1,1,0,0,0,0|2,0,0]=4 444 B10R0.87 CCN(CCOC)CC(C)C fe3710e6f93b3b990155ac42b3582e10 [1,1,0,0,0,0|2,0,0]=4 445 B10R0.87 CCN(CCSC)CC(C)C 9fef917ab228626677b319287b88c56a [1,1,0,0,0,0|2,0,0]=4 446 B10R0.87 CCNCC(CO)CC(C)C f57385bfec4d9010bac0d54fea28c6d0 [1,1,0,0,0,0|2,0,0]=4 447 B10R0.87 CCOCC(C#N)CC(C)C ca601f7e0ac6d685cc1db8bd4e6b8b12 [1,1,0,0,0,0|1,0,1]=4 448 B10R0.87 CCOCC(CC)CC(C)C 2dd2f92737f041dd56969f67158c2145 [1,1,0,0,0,0|0,0,0]=2 449 B10R0.87 CCOCN(CC)CC(C)C f5d6dcea40b54383386c389d73c2d504 [1,1,0,0,0,0|1,0,0]=3 450 B10R0.87 CCOCN(CC)CC(C)O d96698211c63542aa3b883719399b277 [1,1,0,0,0,0|2,0,0]=4 451 B10R0.87 CCOCN(CC)C[C@H](C)O 6c00fc459a092f192dd5bcecb8f6df68 [1,1,0,0,0,0|2,0,0]=4 452 B10R0.87 CC[C@H](CN(C)C)OCC#N 91ec398479c1f708149c15c56b5bf66c [1,1,0,0,0,0|1,0,1]=4 453 B10R0.87 CC[C@H](CN(C)C)OCC=O fdf23756d70ddec42a1d3afc494224ed [1,1,0,0,0,0|1,0,1]=4 454 B10R0.87 CC[C@H](CN(C)C)OCCF 7209d3807536761a482bd3a37f09bea1 [1,1,0,0,0,0|1,0,0]=3 455 B10R0.87 CC[C@H](CN(C)C)OCCS 9f57cbe32b000ee5b3839a2b5acad8da [1,1,0,0,0,0|1,0,0]=3 456 B10R0.87 CC[C@H](CN(C)C)OCOC 8be1e93166f792478c303550797469ac [1,1,0,0,0,0|1,0,0]=3 457 B10R0.87 CC[C@H](CN(C)C)OCSC b2da835373a4d3d56d504493d058d569 [1,1,0,0,0,0|1,0,0]=3 458 B10R0.87 COCNC(CO)CC(C)C 0ad0246a9a2e36036de47f4d0914888d [1,1,0,0,0,0|2,0,0]=4 459 B10R0.87 COCN[C@@H](CO)CC(C)C abf0056d25b844361f097b5fe4642752 [1,1,0,0,0,0|2,0,0]=4 460 B10R0.87 COCN[C@H](CO)CC(C)C 65b29f912ff63ba7d44bc7b650265b88 [1,1,0,0,0,0|2,0,0]=4 461 B10R0.87 COCOC(C#N)CC(C)C e1d04734989c86a95689d9becbd02b46 [1,1,0,0,0,0|1,0,1]=4 462 B10R0.87 CSCNC(CO)CC(C)C 4254480353025d27bdb2a06a807873b3 [1,1,0,0,0,0|2,0,0]=4 463 B10R0.87 CSCN[C@@H](CO)CC(C)C 5d1c8765a52a0d70024cab9fdd4794f4 [1,1,0,0,0,0|2,0,0]=4 464 B10R0.87 CSCN[C@H](CO)CC(C)C bb0c5fc8a10f7ed8e66cae36ffd38393 [1,1,0,0,0,0|2,0,0]=4 465 B10R0.87 CSCOC(C#N)CC(C)C f0f586a25955bba0e45aa982a30b8cb3 [1,1,0,0,0,0|1,0,1]=4 466 B10R0.102 CCNC(C)(CO)CC(C)C 3c15256f531bcd4334e9eb9c03db4acd [1,1,0,0,0,0|2,0,0]=4 467 B10R0.102 CCN[C@](C)(CO)CC(C)C fce07e6fb457024998cc64645ba2ce52 [1,1,0,0,0,0|2,0,0]=4 468 B10R0.73 CCCC(CCC)N(C)CC 00a4266ba4e5b9ec8dc11ed1556c2cb3 [1,1,0,0,0,0|2,0,0]=4 469 B10R0.73 CCCC(OCC)C(C)CC e55636a689a6436c4a5670b05b36fc7c [1,1,0,0,0,0|1,0,0]=3 470 B10R0.73 CCCC(OCF)C(C)CC c5b21d3d2ff39f470dc326fa4730966c [1,1,0,0,0,0|2,0,0]=4 471 B10R0.90 C#CCOC(CCC)CCC 627f6644fe5352b093a86eb4188c7b26 [1,1,0,0,0,0|1,0,1]=4 472 B10R0.90 C=CCOC(CCC)CCC 9ef380b353dfa93b32fb1d0b9ce7207f [1,1,0,0,0,0|1,0,1]=4 473 B10R0.90 CCCC(CCC)COCC 77ffee4ac1787aeab8d93c1496c8b5dc [1,1,0,0,0,0|1,0,0]=3 474 B10R0.90 CCCC(CCC)COCF a4bcec1869bab3dc26b009ffd0853058 [1,1,0,0,0,0|2,0,0]=4 475 B10R0.90 CCCC(CCC)NCCBr 32ff90ec21127044e1a94c3b8ec96841 [1,1,0,0,0,0|2,0,0]=4 476 B10R0.90 CCCC(CCC)NCCF 7bb0956a4b1992e7f4dab2b690fc07cd [1,1,0,0,0,0|2,0,0]=4 477 B10R0.90 CCCC(CCC)NCCI 2378fa877e06c1f02a8b5c0453cb697c [1,1,0,0,0,0|2,0,0]=4 478 B10R0.90 CCCC(CCC)NCCO 18695cb187b2a5454731081e3dc39d14 [1,1,0,0,0,0|2,0,0]=4 479 B10R0.90 CCCC(CCC)NCCS 97d5f1c8895dffa02527487e6de00cf0 [1,1,0,0,0,0|2,0,0]=4 480 B10R0.90 CCCC(CCC)NCOC c0a8ab4edead7fb2df3d271021126a75 [1,1,0,0,0,0|2,0,0]=4 481 B10R0.90 CCCC(CCC)NCSC 91910382cb41922d6010476c6584496f [1,1,0,0,0,0|2,0,0]=4 482 B10R0.90 CCCC(CCC)OCC#N ce5ea031b0ccf315ee411bb55874c147 [1,1,0,0,0,0|1,0,1]=4 483 B10R0.90 CCCC(CCC)OCC=O 4286f9837942fd32983dc2c90b70aad4 [1,1,0,0,0,0|1,0,1]=4 484 B10R0.90 CCCC(CCC)OCCF 87684b329eacbdb9618c91689a1834a7 [1,1,0,0,0,0|1,0,0]=3 485 B10R0.90 CCCC(CCC)OCCS 369a80f5e26e560a5d352d88008dd650 [1,1,0,0,0,0|1,0,0]=3 486 B10R0.90 CCCC(CCC)OCOC cace99579b20bb534a12b596e50cbcfe [1,1,0,0,0,0|1,0,0]=3 487 B10R0.90 CCCC(CCC)OCSC 9da2bd1b7085afa87b507eff156ca840 [1,1,0,0,0,0|1,0,0]=3 488 B10R0.90 CCCCC(CCC)OCC 7572e0cccc824aa217c3aec8a6bd23e0 [1,1,0,0,0,0|1,0,0]=3 489 B10R0.90 CCCCC(CCC)OCF 1348fbc2125e146f3af9815a2756daed [1,1,0,0,0,0|2,0,0]=4 490 B10R0.90 CCCN(CCC)COCC 2a959fdb607be1d24f9bd8d94256878f [1,1,0,0,0,0|2,0,0]=4 491 B10R0.90 CCCNC(CCC)CCC a514d3851c6c5e4477ef3392cabdaf0c [1,1,0,0,0,0|2,0,0]=4 492 B10R0.90 CCCOC(CCC)CCC 62cef2d7c58c3900282ee848dba51d2e [1,1,0,0,0,0|1,0,0]=3 493 B10R0.90 CCNCC(OCC)OCC bd404d2490ffb437b699538e1ef6c965 [1,1,0,0,0,0|0,0,0]=2 494 B10R0.90 CCOC(CNC#N)OCC f443824805525c59187797aa8c6b74a9 [1,1,0,0,0,0|1,0,1]=4 495 B10R0.90 CCOC(CNC=O)OCC 59e16acde858733a8a3b7d7e855d0a16 [1,1,0,0,0,0|1,0,1]=4 496 B10R0.90 CCOC(CNCF)OCC d9ecbeaa79d39714311a398b1ae61e2e [1,1,0,0,0,0|1,0,0]=3 497 B10R0.90 CCOC(CNCO)OCC 3686836e7b627fe8f54004adbc963a45 [1,1,0,0,0,0|1,0,0]=3 498 B10R0.90 CCOC(COCF)OCC 17256885c6e25f28a36f518219f12af8 [1,1,0,0,0,0|1,0,0]=3 499 B10R0.90 CCOCC(OCC)OCC 341891c4b45763dbfd1555fa25b3e934 [1,1,0,0,0,0|0,0,0]=2 500 B10R0.30 CCOC(C(=O)OC)C(C)C da7e29f7fbd7f77c12c33505846e509c [0,1,0,0,1,0|2,0,0]=4 501 B10R0.30 CCO[C@@H](C(=O)OC)C(C)C e39c343116ff07861c34c857f00335a4 [0,1,0,0,1,0|2,0,0]=4 502 B10R0.30 CCO[C@H](C(=O)OC)C(C)C b289db1db0c037480d87fd55fc9f8978 [0,1,0,0,1,0|2,0,0]=4 503 B10R0.88 C#CCOC(CCC)C(C)C ec04284b6ac94163257d9f4785554f6c [0,1,0,0,1,0|1,0,1]=4 504 B10R0.88 C=CCOC(CCC)C(C)C 0139cc4483e1d727391497c32ea14f3e [0,1,0,0,1,0|1,0,1]=4 505 B10R0.88 CCCC(OCC#N)C(C)C ceddd6288df358e2d12433f740e716ad [0,1,0,0,1,0|1,0,1]=4 506 B10R0.88 CCCC(OCC=O)C(C)C d4cb916007b0a0ba452fcd555b8bb5bc [0,1,0,0,1,0|1,0,1]=4 507 B10R0.88 CCCC(OCCF)C(C)C 13205fa50c526b98d9ddae9c883125b4 [0,1,0,0,1,0|1,0,0]=3 508 B10R0.88 CCCC(OCCS)C(C)C 7b1446aa18228aff5165eda87d2ee67a [0,1,0,0,1,0|1,0,0]=3 509 B10R0.88 CCCC(OCOC)C(C)C bd1db90f839e36bf16e209f0642ea07a [0,1,0,0,1,0|1,0,0]=3 510 B10R0.88 CCCC(OCSC)C(C)C fb933977e813f0b3413a5a528df9ae64 [0,1,0,0,1,0|1,0,0]=3 511 B10R0.88 CCCN(COCC)C(C)C 45bd72b45613d11d9e4a0fcbc35081fa [0,1,0,0,1,0|2,0,0]=4 512 B10R0.88 CCCOC(CCC)C(C)C a9a3680667cee3197952147e3348a640 [0,1,0,0,1,0|1,0,0]=3 513 B10R0.88 CCCOC(OCC)C(F)F d00b543f8526dc0c4366819e2b4b5cd9 [0,1,0,0,1,0|2,0,0]=4 514 B10R0.88 CCOC(OCCF)C(F)F bf5971b3c49c5cc37116e3824cf79644 [0,1,0,0,1,0|2,0,0]=4 515 B10R0.88 CCOC(OCCS)C(F)F 2b09d4b2af736db582c79e4d7b5c7495 [0,1,0,0,1,0|2,0,0]=4 516 B10R0.88 CCOC(OCOC)C(F)F d437dacac3044ecec56f386a54d842ca [0,1,0,0,1,0|2,0,0]=4 517 B10R0.88 CCOC(OCSC)C(F)F df6c5c8d09f79c7adb413b059e5069cb [0,1,0,0,1,0|2,0,0]=4 518 B10R0.139 CCCC(OCC)C(C)(C)C e65c0417a5c10d7c48c4079f662cb9e9 [0,1,0,0,1,0|1,0,0]=3 519 B10R0.139 CCCC(OCF)C(C)(C)C 59cb2feb429abdd7eb86a3868eb65161 [0,1,0,0,1,0|2,0,0]=4 520 B10R0.139 CCOC(COC)C(C)(C)C 534f8af5e503e8321aa01deaffffc23e [0,1,0,0,1,0|2,0,0]=4 521 B10R0.139 CCOC(OCC)C(F)(F)F 9377ada4ab74bee932a91192b3857804 [0,1,0,0,1,0|2,0,0]=4 522 B10R0.139 CCOC(OCF)C(C)(F)F fdb3ca7992865ec03ccd35d0f5d53ae9 [0,1,0,0,1,0|2,0,0]=4 523 B12R0.12 CCCCC(CCC)COC(C)C 7b07b621d8fbbd430ff76382559c9a3f [0,1,0,0,0,1|2,0,0]=4 524 B12R0.12 CCCCC(CCC)OCC(C)C e2a6f0e19fcd211b46aa3b103793ddec [0,1,0,0,0,1|2,0,0]=4 525 B12R0.51 CCCC(OCC(C)C)C(C)CC edeae0ad8bb9f28efca0b9f33c1214b3 [0,1,0,0,0,1|2,0,0]=4 526 B12R0.52 CCCC(CC(C)C)OCC(C)C 4b935f569c39d2932a0f914fce94bb52 [0,1,0,0,0,1|2,0,0]=4 527 B12R0.159 CCCC(CCC)N(C)CC(C)C 9e5a30b6bb920ca8cb3f6c058aceaba2 [0,1,0,0,0,1|2,0,0]=4 528 B12R0.159 CCOC(OCC)C(C)NC(=O)C 2ebd5b51040787dd64e0aa689c82ab7f [0,1,0,0,0,1|1,0,1]=4 529 B12R0.159 CCOC(OCC)C(C)NC(C)C 05dd5bdf0461d3137d488c0213ca82c5 [0,1,0,0,0,1|0,0,0]=2 530 B12R0.159 CCOC(OCC)C(C)OC(C)C 1ae08229fe4dfd49c578d8ac99983d23 [0,1,0,0,0,1|0,0,0]=2 531 B12R0.160 C#CC(C)NCC(OCC)OCC 6518d01c5b01e9017837ca35973ae0af [0,1,0,0,0,1|0,0,1]=3 532 B12R0.160 C#CC(C)OCC(OCC)OCC e08143c77fde799218aa1d2dea4201d9 [0,1,0,0,0,1|0,0,1]=3 533 B12R0.160 C#C[C@@H](C)NCC(OCC)OCC ded1a2c4a20683f2d1a2ba4f036eab1c [0,1,0,0,0,1|0,0,1]=3 534 B12R0.160 C#C[C@@H](C)OCC(OCC)OCC 1417fc0b83ae27e928f0f2508f543882 [0,1,0,0,0,1|0,0,1]=3 535 B12R0.160 C#C[C@H](C)NCC(OCC)OCC 7879f4a17955b33f10dd02439a9d41d5 [0,1,0,0,0,1|0,0,1]=3 536 B12R0.160 C#C[C@H](C)OCC(OCC)OCC 9469255a36b8b2b9ec7e9465836b2d74 [0,1,0,0,0,1|0,0,1]=3 537 B12R0.160 C=CC(C)NCC(OCC)OCC 074ae8f20842cdf7263405e08d795ab8 [0,1,0,0,0,1|0,0,1]=3 538 B12R0.160 C=CC(C)OCC(OCC)OCC 5b34deb65166da0a9bfab07db631eca4 [0,1,0,0,0,1|0,0,1]=3 539 B12R0.160 C=C[C@H](C)OCC(OCC)OCC dbf0be382bcb8ce42dca0a0c61351023 [0,1,0,0,0,1|0,0,1]=3 540 B12R0.160 CCCC(CCC)CNC(C)CC e4fa1ea52b4f3f4ed2723c793af6954f [0,1,0,0,0,1|2,0,0]=4 541 B12R0.160 CCCC(CCC)CNC(C)CO 969b12250542750c5c1a5df2a30005c4 [0,1,0,0,0,1|2,0,0]=4 542 B12R0.160 CCCC(CCC)CN[C@@H](C)CC 3278de084c0c227551ddfdae25182d0c [0,1,0,0,0,1|2,0,0]=4 543 B12R0.160 CCCC(CCC)CN[C@@H](C)CO a1ad8adc09a7f958e438ca83e8d8ffce [0,1,0,0,0,1|2,0,0]=4 544 B12R0.160 CCCC(CCC)CN[C@H](C)CC aee1776e200bba61658d8b6ce3ebb1d6 [0,1,0,0,0,1|2,0,0]=4 545 B12R0.160 CCCC(CCC)CN[C@H](C)CO ef43532b0bbe6981d0a171f5033b68b5 [0,1,0,0,0,1|2,0,0]=4 546 B12R0.160 CCCC(CCC)COC(C)CC 2c322eb8ebee6de4c5e10601ec07332d [0,1,0,0,0,1|2,0,0]=4 547 B12R0.160 CCCC(CCC)COC(C)CF 548a6815dacfb404f8e41bbcd451a85f [0,1,0,0,0,1|2,0,0]=4 548 B12R0.160 CCCC(CCC)COC(C)CS 8f24fa65aee6f86f7b0892b0ed12d9c8 [0,1,0,0,0,1|2,0,0]=4 549 B12R0.160 CCCC(CCC)CO[C@@H](C)CC 35e8e220ac13fbc5b702490f34f3c74a [0,1,0,0,0,1|2,0,0]=4 550 B12R0.160 CCCC(CCC)CO[C@H](C)CC 48e7df2d87af7310fabfb5401ce99141 [0,1,0,0,0,1|2,0,0]=4 551 B12R0.160 CCCC(CCC)CO[C@H](C)CS f2d637d166026ce6054e402309c2f6ea [0,1,0,0,0,1|2,0,0]=4 552 B12R0.160 CCCC(CCC)NCC(C)CC f0b883df6db58a600753e79ad33a0d3c [0,1,0,0,0,1|2,0,0]=4 553 B12R0.160 CCCC(CCC)NCC(C)CO 462d83ecbe01c0b3b4647c95afaf10d7 [0,1,0,0,0,1|2,0,0]=4 554 B12R0.160 CCCC(CCC)NCC(C)OC 7010bd6f4fb8e62df6bc47151a1e2ff6 [0,1,0,0,0,1|2,0,0]=4 555 B12R0.160 CCCC(CCC)NC[C@@H](C)CC 6c3c387716b3223f06525237d5980827 [0,1,0,0,0,1|2,0,0]=4 556 B12R0.160 CCCC(CCC)NC[C@@H](C)CO 7726b0adf7fbd9acb6c392fcd9d095c7 [0,1,0,0,0,1|2,0,0]=4 557 B12R0.160 CCCC(CCC)NC[C@@H](C)OC 83c7ae18785fbcdba6a24e92ee1598c2 [0,1,0,0,0,1|2,0,0]=4 558 B12R0.160 CCCC(CCC)NC[C@H](C)CC a96974005084e306a7d4a6d9ab973dd7 [0,1,0,0,0,1|2,0,0]=4 559 B12R0.160 CCCC(CCC)NC[C@H](C)CO ad34e53ce24da13e05b91aceda6f8c76 [0,1,0,0,0,1|2,0,0]=4 560 B12R0.160 CCCC(CCC)NC[C@H](C)OC 31447ed58a6c151ad3cb1d141dea4c02 [0,1,0,0,0,1|2,0,0]=4 561 B12R0.160 CCCC(CCC)OCC(C)CC 2b73ec52a83ff8a4eb7f708f94aa70c4 [0,1,0,0,0,1|2,0,0]=4 562 B12R0.160 CCCC(CCC)OCC(C)OC 3db3a8defb5ccd3b275d992714cf1b3c [0,1,0,0,0,1|2,0,0]=4 563 B12R0.160 CCCC(CCC)OC[C@@H](C)CC 4b969f88fa64f84e156ef5735cf6f9ed [0,1,0,0,0,1|2,0,0]=4 564 B12R0.160 CCCC(CCC)OC[C@@H](C)OC a0c3647018411c116cdd143b1dbc31c9 [0,1,0,0,0,1|2,0,0]=4 565 B12R0.160 CCCC(CCC)OC[C@H](C)CC 8e1f24ddce985472866d7fcdac2c7c6f [0,1,0,0,0,1|2,0,0]=4 566 B12R0.160 CCCC(CCC)OC[C@H](C)OC a4b9c2190a2d6b377215e7c3a4d05864 [0,1,0,0,0,1|2,0,0]=4 567 B12R0.160 CCOC(CCN(C)CC)OCC 71a7aaa54c5b7a4236a78714979de95f [0,1,0,0,0,1|1,0,0]=3 568 B12R0.160 CCOC(CNC(=O)CC)OCC d17d50dc8f6f4a07c93b02749a78db33 [0,1,0,0,0,1|1,0,1]=4 569 B12R0.160 CCOC(CNC(=O)CF)OCC 122924a0ea73faa6345af6c7621a10ad [0,1,0,0,0,1|1,0,1]=4 570 B12R0.160 CCOC(CNC(=O)CO)OCC 51c2adef09abd2c19a21ee4e9625666e [0,1,0,0,0,1|1,0,1]=4 571 B12R0.160 CCOC(CNC(=O)CS)OCC c6073a4f228e44a295e47e758b60a62f [0,1,0,0,0,1|1,0,1]=4 572 B12R0.160 CCOC(CNC(C)C#N)OCC 3f8661f9cc966e7c45057fbba4942360 [0,1,0,0,0,1|0,0,1]=3 573 B12R0.160 CCOC(CNC(C)C=O)OCC e55d3f04c6f5261bc6d03fecb06ed8f1 [0,1,0,0,0,1|0,0,1]=3 574 B12R0.160 CCOC(CNC(C)CC)OCC bbac98ca37041e0b7feb032b9d5223ca [0,1,0,0,0,1|0,0,0]=2 575 B12R0.160 CCOC(CNC(C)CO)OCC 51e614323d7974b7f25a4389d8cc6492 [0,1,0,0,0,1|0,0,0]=2 576 B12R0.160 CCOC(CN[C@@H](C)CC)OCC daf63fc2ff270f87e16cf97d8f95a3df [0,1,0,0,0,1|0,0,0]=2 577 B12R0.160 CCOC(CN[C@@H](C)CO)OCC b0868a74f8c8c647c8f8ea0172769814 [0,1,0,0,0,1|0,0,0]=2 578 B12R0.160 CCOC(CN[C@H](C)C=O)OCC 2df7ea33126d4a7d32b1490b280e19c5 [0,1,0,0,0,1|0,0,1]=3 579 B12R0.160 CCOC(CN[C@H](C)CC)OCC 3c8f957d3cb7829c593612b1228d1782 [0,1,0,0,0,1|0,0,0]=2 580 B12R0.160 CCOC(CN[C@H](C)CO)OCC e49362d6b415f87b978a9e7937be6e59 [0,1,0,0,0,1|0,0,0]=2 581 B12R0.160 CCOC(COC(C)C#N)OCC 0c8c450750b4ad22d8a79b8339e0326a [0,1,0,0,0,1|0,0,1]=3 582 B12R0.160 CCOC(COC(C)C=O)OCC dbf974d1bbe216dd1a556b61641bb591 [0,1,0,0,0,1|0,0,1]=3 583 B12R0.160 CCOC(COC(C)CC)OCC 956c1151176aec6241cdb5ad030e6ef9 [0,1,0,0,0,1|0,0,0]=2 584 B12R0.160 CCOC(COC(C)CF)OCC 2f9c9d9a08132773524714feee471727 [0,1,0,0,0,1|0,0,0]=2 585 B12R0.160 CCOC(COC(C)CS)OCC 68620e6c629a5267ba0a6a3ebd72b979 [0,1,0,0,0,1|0,0,0]=2 586 B12R0.160 CCOC(COC(F)C#N)OCC b7e65adb2eec4d759d1df7527e243ad0 [0,1,0,0,0,1|1,0,1]=4 587 B12R0.160 CCOC(CO[C@@H](C)CC)OCC 8fca7b18e6bec21c48c30deda41a2a4c [0,1,0,0,0,1|0,0,0]=2 588 B12R0.160 CCOC(CO[C@H](C)C=O)OCC 58dc1a468b279050ee5488df8de08aab [0,1,0,0,0,1|0,0,1]=3 589 B12R0.160 CCOC(CO[C@H](C)CC)OCC 54928ad0021aa7060e9951158b3d3299 [0,1,0,0,0,1|0,0,0]=2 590 B12R0.160 CCOC(CO[C@H](C)CS)OCC 8d4aa94dedfaf4b2dcc99a72212a8ec2 [0,1,0,0,0,1|0,0,0]=2 591 B12R0.166 CCCC(CCC)CN(C)C(C)C e3840da647e1147ea76192ae0187ce48 [0,1,0,0,0,1|2,0,0]=4 592 B12R0.166 CCCC(CCC)NC(C)C(C)C a6bf87949484b3c96d2d7ecd3b530991 [0,1,0,0,0,1|2,0,0]=4 593 B12R0.166 CCCC(CCC)N[C@@H](C)C(C)C ee6397eb698ed559536bc601ee0823a1 [0,1,0,0,0,1|2,0,0]=4 594 B12R0.166 CCCC(CCC)N[C@H](C)C(C)C 527e65fa476cb444845b2834510ce6dc [0,1,0,0,0,1|2,0,0]=4 595 B12R0.166 CCCC(CCC)OC(C)C(C)C 17120cf166391a9aa95ab6811f6c656f [0,1,0,0,0,1|2,0,0]=4 596 B12R0.166 CCCC(CCC)O[C@@H](C)C(C)C 511a32a112d83f5c848b34aaee141cc2 [0,1,0,0,0,1|2,0,0]=4 597 B12R0.166 CCCC(CCC)O[C@H](C)C(C)C 22e9d10482390c375b89b2be42154f34 [0,1,0,0,0,1|2,0,0]=4 598 B12R0.166 CCOC(CN(C)C(=O)C)OCC 6e651a45d0ec9b633566dd061c7df52f [0,1,0,0,0,1|1,0,1]=4 599 B12R0.166 CCOC(CN(C)C(C)C)OCC 7aacfd34e1242af043a60c1942691d2d [0,1,0,0,0,1|0,0,0]=2 600 B12R0.547 CCCC(C#CC(C)(C)C)OCC 34d24b1939255da203c86ef1314b0dd2 [0,1,0,0,0,1|1,0,1]=4 601 B12R0.547 CCCC(CCC)CNC(C)(C)C c1b8bb17c69923107feff2c73754ae32 [0,1,0,0,0,1|2,0,0]=4 602 B12R0.547 CCCC(CCC)NCC(C)(C)C 1990ad73410cf2fcf4d2c1a6fe33a731 [0,1,0,0,0,1|2,0,0]=4 603 B12R0.547 CCCC(CCC)NCC(C)(C)F 48c22b00c212edbd49df1a4884c9a416 [0,1,0,0,0,1|2,0,0]=4 604 B12R0.547 CCCC(CCC)NCC(C)(C)O e76e636e42b0e4af028cdb30166b881f [0,1,0,0,0,1|2,0,0]=4 605 B12R0.547 CCCC(CCC)OCC(C)(C)Br 3f99ada767b30c67b012f29e851838fd [0,1,0,0,0,1|2,0,0]=4 606 B12R0.547 CCCC(CCC)OCC(C)(C)C 0b85beb2bd8db1f5fe34a45bd99511e2 [0,1,0,0,0,1|2,0,0]=4 607 B12R0.547 CCCC(CCC)OCC(C)(C)F 0540548441bd1fa38b49f44a285d8738 [0,1,0,0,0,1|2,0,0]=4 608 B12R0.547 CCCC(CCC)OCC(C)(C)O db09402e55f19dfaea1b7b461621fa7f [0,1,0,0,0,1|2,0,0]=4 609 B12R0.547 CCCC(CCC)OCC(C)(C)S fd511dc7d336419121d12c8b194caaa4 [0,1,0,0,0,1|2,0,0]=4 610 B12R0.547 CCOC(CNC(C)(C)C)OCC 08d7e9b43c00f340314aaaf34e33ae7f [0,1,0,0,0,1|0,0,0]=2 611 B12R0.41 CC(C)CC(CC(C)C)NC(C)C 820e0f8909b60b76020c44d1ad05922d [0,2,0,0,0,0|2,0,0]=4 612 B12R0.41 CC(C)CC(CC(C)C)OC(C)C f95db1415ef633f7393d365282ea1932 [0,2,0,0,0,0|1,0,0]=3 613 B12R0.180 COC(=O)C(CC(C)C)OC(C)C 35a4870b4c7eaf9b3f0ac64af92a9d7f [0,2,0,0,0,0|2,0,0]=4 614 B12R0.180 COC(=O)[C@@H](CC(C)C)OC(C)C 3e904f5df4bb08a5e7b6eb2e95e2a255 [0,2,0,0,0,0|2,0,0]=4 615 B12R0.242 C#CCOC(CC(C)C)CC(C)C bf29181efdfe4a1c755b472c8ab72d7e [0,2,0,0,0,0|1,0,1]=4 616 B12R0.242 C=CCOC(CC(C)C)CC(C)C 6ab8045be531011e1da03bd0248b64a8 [0,2,0,0,0,0|1,0,1]=4 617 B12R0.242 CC(C)CC(CC(C)C)NCCF 177bfbd4115cc6b750aa663a196d573c [0,2,0,0,0,0|2,0,0]=4 618 B12R0.242 CC(C)CC(CC(C)C)NCCO bded3f1cbc859f6040638b98c517b489 [0,2,0,0,0,0|2,0,0]=4 619 B12R0.242 CC(C)CC(CC(C)C)NCCS abc331733c9bc0dedb29b2aef62e2fd2 [0,2,0,0,0,0|2,0,0]=4 620 B12R0.242 CC(C)CC(CC(C)C)OCC#N da9efe6363705124371b85b6eae9a7f8 [0,2,0,0,0,0|1,0,1]=4 621 B12R0.242 CC(C)CC(CC(C)C)OCC=O bd977d6e9c0d13d350ad61ba4829e2f8 [0,2,0,0,0,0|1,0,1]=4 622 B12R0.242 CC(C)CC(CC(C)C)OCCF 86baa2045abc853f2b7f35fabdc978f0 [0,2,0,0,0,0|1,0,0]=3 623 B12R0.242 CC(C)CC(CC(C)C)OCCS fbe04159c93d95fbc7451839b4eda25c [0,2,0,0,0,0|1,0,0]=3 624 B12R0.242 CCCNC(CC(C)C)CC(C)C 9117a9d3876758282131e44f88dad0a4 [0,2,0,0,0,0|2,0,0]=4 625 B12R0.242 CCCOC(CC(C)C)CC(C)C eccb7b0ee84a8d384daa27f3e283b776 [0,2,0,0,0,0|1,0,0]=3 626 B12R0.242 CCOCN(CC(C)C)CC(C)C 558acee8842400d9308e061968a7105f [0,2,0,0,0,0|2,0,0]=4 627 B12R0.242 COCNC(CC(C)C)CC(C)C 69ac03bb747befd6b9adcabbbdfafeb8 [0,2,0,0,0,0|2,0,0]=4 628 B12R0.242 COCOC(CC(C)C)CC(C)C 2e40e8a2d54f917b2059684c3a5d578c [0,2,0,0,0,0|1,0,0]=3 629 B12R0.242 CSCNC(CC(C)C)CC(C)C 6c5e11e1dcd45a0b60ddd03fc8e14d8e [0,2,0,0,0,0|2,0,0]=4 630 B12R0.242 CSCOC(CC(C)C)CC(C)C 23f72383f4254f13ed785800257b7dce [0,2,0,0,0,0|1,0,0]=3 631 B12R0.399 C#CC(C)OC(/C=C/C)CC(C)C e9cbd57c060a7b1039c0bc46ecf4ca1d [0,2,0,0,0,0|1,0,1]=4 632 B12R0.399 C#CC(C)OC(C=CC)CC(C)C 61219554a73888f180ca43767daaeaf1 [0,2,0,0,0,0|1,0,1]=4 633 B12R0.399 C#CC(C)OC(CCC)CC(C)C 740e83a9e36f9472f24998c6d8d086bc [0,2,0,0,0,0|1,0,0]=3 634 B12R0.399 C/C=C/C(CC(C)C)OC(C)C#N 08edcffa1c5fe85905186ad6bc022872 [0,2,0,0,0,0|1,0,1]=4 635 B12R0.399 C/C=C/C(CC(C)C)OC(C)C=O d135ecb68e9f546fcad36263b766e116 [0,2,0,0,0,0|1,0,1]=4 636 B12R0.399 C/C=C/C(CC(C)C)OC(C)CC ce3fd69de61e815077c273300a5505ca [0,2,0,0,0,0|1,0,1]=4 637 B12R0.399 C/C=C/C(CC(C)C)O[C@H](C)C=O f07de2311561d0f6867587fc073639f2 [0,2,0,0,0,0|1,0,1]=4 638 B12R0.399 C=CC(C)OC(/C=C/C)CC(C)C 1df49dfd7b1e8ef9f70a6bf3707859a5 [0,2,0,0,0,0|1,0,1]=4 639 B12R0.399 C=CC(C)OC(C=CC)CC(C)C 24f83436d0acc2348d40ed438f3ece2e [0,2,0,0,0,0|1,0,1]=4 640 B12R0.399 C=CC(C)OC(CCC)CC(C)C 0e1a1e871de5e073c2d1956087b5908f [0,2,0,0,0,0|1,0,0]=3 641 B12R0.399 CC=CC(CC(C)C)OC(C)C#N 9bce8f2430d03c6cd44c3250c5f93bce [0,2,0,0,0,0|1,0,1]=4 642 B12R0.399 CC=CC(CC(C)C)OC(C)C=O e022345339efc433035858207273e406 [0,2,0,0,0,0|1,0,1]=4 643 B12R0.399 CC=CC(CC(C)C)OC(C)CC f5463e3cf149f2cd5621e45af3184d9e [0,2,0,0,0,0|1,0,1]=4 644 B12R0.399 CC=CC(CC(C)C)O[C@H](C)C=O 947736959aa728eb14649e2af327c289 [0,2,0,0,0,0|1,0,1]=4 645 B12R0.399 CCC(=O)CC(CC(C)C)OCF b2183d1152aad3be511a0aba9e293a45 [0,2,0,0,0,0|2,0,0]=4 646 B12R0.399 CCCC(CC(C)C)OC(C)C#N 1ac69d004094be2891c7960c8646c766 [0,2,0,0,0,0|1,0,0]=3 647 B12R0.399 CCCC(CC(C)C)OC(C)C=O 3432bb662ecdf030c7fb58ab1b3d8132 [0,2,0,0,0,0|1,0,0]=3 648 B12R0.399 CCCC(CC(C)C)OC(C)CC 424d23c968d2ef6b8da2ecc40ba7b59f [0,2,0,0,0,0|1,0,0]=3 649 B12R0.399 CCCC(CC(C)C)OC(F)C#N 8ac10c6ed663c075f9e6e736ae3196dc [0,2,0,0,0,0|1,0,1]=4 650 B12R0.399 CCCC(CC(C)C)O[C@H](C)C=O 79ef5d21a42f8b9d51fe54d797b94027 [0,2,0,0,0,0|1,0,0]=3 651 B12R0.399 CCOC(CC(=O)CC)CC(C)C 96fd54e39b7ee671dac75704c01360ee [0,2,0,0,0,0|1,0,0]=3 652 B12R0.247 CCCOC(CC(C)C)C(=O)OC 193d8df32925ded0cac14bf875a0cd86 [0,2,0,0,0,0|2,0,0]=4 653 B12R0.247 CCCO[C@H](CC(C)C)C(=O)OC ec0fcc02bd76d484999a514f33757d4f [0,2,0,0,0,0|2,0,0]=4 654 B12R0.247 COC(=O)C(CC(C)C)OCCF 2a610ad8c6157e0abdb47040f4838a1d [0,2,0,0,0,0|2,0,0]=4 655 B12R0.247 COC(=O)C(CC(C)C)OCCS 65173c4a55b98fda4029eac49b79d2c4 [0,2,0,0,0,0|2,0,0]=4 656 B12R0.247 COC(=O)C(CC(C)C)OCSC 6c3da56d69229e1d42675aba5f19ca51 [0,2,0,0,0,0|2,0,0]=4 657 B12R0.247 COC(=O)[C@@H](CC(C)C)OCCF 4796706fcab5d69d038be39a0af58f99 [0,2,0,0,0,0|2,0,0]=4 658 B12R0.247 COC(=O)[C@@H](CC(C)C)OCCS 290bce4d8c4ac928a0168fdfad2fa5eb [0,2,0,0,0,0|2,0,0]=4 659 B12R0.247 COC(=O)[C@@H](CC(C)C)OCSC c153358ef0b42aa6f08b3ca5ad9d2cf8 [0,2,0,0,0,0|2,0,0]=4 660 B12R0.247 COCOC(CC(C)C)C(=O)OC 738e851d68179560655d7a9193d5f6e7 [0,2,0,0,0,0|2,0,0]=4 661 B12R0.247 COCO[C@H](CC(C)C)C(=O)OC 644506868d71dfc8cc5bfc2c36d625cb [0,2,0,0,0,0|2,0,0]=4 662 B12R0.284 CCCC(OC(C)C)C(=O)OCC ceb1f90823aca877ae66e56a69204311 [0,2,0,0,0,0|2,0,0]=4 663 B12R0.284 CCNC(CC(C)C)C(=O)OCC d5f9c9af3ef06dec046f3028cf01a269 [0,2,0,0,0,0|1,0,0]=3 664 B12R0.284 CCN[C@@H](CC(C)C)C(=O)OCC 018bfe4843bf10fbb01370c0c0f51bdf [0,2,0,0,0,0|1,0,0]=3 665 B12R0.284 CCOC(=O)C(CC(C)C)NCF 1866507134b5f59c0cf5c9775cfe000a [0,2,0,0,0,0|2,0,0]=4 666 B12R0.284 CCOC(=O)C(CC(C)C)NCO 10dfc59e80b7814bb207191b8ae6db93 [0,2,0,0,0,0|2,0,0]=4 667 B12R0.284 CCOC(=O)C(CC(C)C)OCC c60187a4604b859b258e81eb41861543 [0,2,0,0,0,0|0,0,0]=2 668 B12R0.284 CCOC(=O)C(CC(C)C)OCF f833c48c87025fc32d02ff4df18bd8c7 [0,2,0,0,0,0|1,0,0]=3 669 B12R0.284 CCOC(=O)C(OCC)OC(C)C 8fdc6599fcc21e72e8d36e8eb0c08b64 [0,2,0,0,0,0|1,0,0]=3 670 B12R0.284 CCOC(=O)[C@H](CC(C)C)NCF f65986c20041776bc5ee712775a6ba5c [0,2,0,0,0,0|2,0,0]=4 671 B12R0.284 CCOC(=O)[C@H](CC(C)C)NCO 69bc2ec7d29f5623a61d024be9b5c9a2 [0,2,0,0,0,0|2,0,0]=4 672 B12R0.9 CCCN(COCC)CC(C)(C)O 351ba52d5bb3161e5c7c9a0000f2d82b [0,2,0,0,0,0|2,0,0]=4 673 B12R0.243 CCOCC(COCC)OC(C)C 88d884e057a83c3d50cb37a2f0810334 [0,2,0,0,0,0|1,0,0]=3 674 B12R0.256 C#CCCOC(/C=C/C)CC(C)C 7fc9007192ab91fee7af70f65256d4cc [0,2,0,0,0,0|1,0,1]=4 675 B12R0.256 C#CCCOC(C=CC)CC(C)C 28c9182f2e1eca3c44d4da9378021c84 [0,2,0,0,0,0|1,0,1]=4 676 B12R0.256 C#CCCOC(CCC)CC(C)C ff9f24eddbe47ada61120dd38d111228 [0,2,0,0,0,0|1,0,0]=3 677 B12R0.256 C/C=C/C(CC(C)C)OCCC#N 2385b7b6a3313d30f862ce2504c264aa [0,2,0,0,0,0|1,0,1]=4 678 B12R0.256 C/C=C/C(CC(C)C)OCCC=O efca71c6148d290fe0a513f715bc00f4 [0,2,0,0,0,0|1,0,1]=4 679 B12R0.256 C/C=C/C(CC(C)C)OCCCC b44cbcdb1ad345017a8a27ceedda82ee [0,2,0,0,0,0|1,0,1]=4 680 B12R0.256 C/C=C/C(CC(C)C)OCCCF 9cf292eea7c309d8d11c11a37f9111db [0,2,0,0,0,0|1,0,1]=4 681 B12R0.256 C/C=C/C(CC(C)C)OCCCS dcc9fce3dcf933d595b843365881ab3e [0,2,0,0,0,0|1,0,1]=4 682 B12R0.256 C/C=C/C(CC(C)C)OCCOC 3b93919ece020905395f8ff1a0a3923d [0,2,0,0,0,0|1,0,1]=4 683 B12R0.256 C/C=C/C(CC(C)C)OCCSC 6e198e3025bd0ccc6359e581a72562b6 [0,2,0,0,0,0|1,0,1]=4 684 B12R0.256 C/C=C/C(CC(C)C)OCOCC 6ef249aac25861134d9812f819c1a147 [0,2,0,0,0,0|1,0,1]=4 685 B12R0.256 C/C=C/COC(/C=C/C)CC(C)C bbab9b949e77b705e08d5405725a77a9 [0,2,0,0,0,0|1,0,1]=4 686 B12R0.256 C/C=C/COC(CCC)CC(C)C 94c0208f713af661d4d13b207616df43 [0,2,0,0,0,0|1,0,0]=3 687 B12R0.256 C/C=C\COC(/C=C/C)CC(C)C b2c3fe9b27720aeab15c93d7d57a23ee [0,2,0,0,0,0|1,0,1]=4 688 B12R0.256 C/C=C\COC(CCC)CC(C)C ebe66358d08ebf0aa1809b208cab218e [0,2,0,0,0,0|1,0,0]=3 689 B12R0.256 C=CCCOC(/C=C/C)CC(C)C 912792613aa61095c38cb2ac055b4196 [0,2,0,0,0,0|1,0,1]=4 690 B12R0.256 C=CCCOC(C=CC)CC(C)C 3df124468f5fdc4b82e5a36e17798f0d [0,2,0,0,0,0|1,0,1]=4 691 B12R0.256 C=CCCOC(CCC)CC(C)C 5ce9d5ec13af9166dabe5321f82f7a82 [0,2,0,0,0,0|1,0,0]=3 692 B12R0.256 CC#CCOC(/C=C/C)CC(C)C c4f8ba9446e7c0cad259e1ae4dbfe710 [0,2,0,0,0,0|1,0,1]=4 693 B12R0.256 CC#CCOC(C=CC)CC(C)C e9667ac1c38e3d468452e1e7a5d59c38 [0,2,0,0,0,0|1,0,1]=4 694 B12R0.256 CC=CC(CC(C)C)OC/C=C/C d4938b1beb5ef9d7546e966c6c81bea2 [0,2,0,0,0,0|1,0,1]=4 695 B12R0.256 CC=CC(CC(C)C)OC/C=C\C d49ab0830032f0c3db940292232f6f1b [0,2,0,0,0,0|1,0,1]=4 696 B12R0.256 CC=CC(CC(C)C)OCCC#N 7f5801e8fddc6a43a0819263e5068d1c [0,2,0,0,0,0|1,0,1]=4 697 B12R0.256 CC=CC(CC(C)C)OCCC=O dc649c16a01d400cb352418f1a285904 [0,2,0,0,0,0|1,0,1]=4 698 B12R0.256 CC=CC(CC(C)C)OCCCC 4567aead78259f6df03664c1091bbf53 [0,2,0,0,0,0|1,0,1]=4 699 B12R0.256 CC=CC(CC(C)C)OCCCF 629f999195424962c8e350d36875c8ce [0,2,0,0,0,0|1,0,1]=4 700 B12R0.256 CC=CC(CC(C)C)OCCCS 7dc89bdbdc28733ba5e75afbb01068df [0,2,0,0,0,0|1,0,1]=4 701 B12R0.256 CC=CC(CC(C)C)OCCOC 6c55da386037985a950237ea8d542cf4 [0,2,0,0,0,0|1,0,1]=4 702 B12R0.256 CC=CC(CC(C)C)OCCSC eaabc9ebe3b9502dd026e86aad054d37 [0,2,0,0,0,0|1,0,1]=4 703 B12R0.256 CC=CC(CC(C)C)OCOCC fed03f816d20ac924448f8b0d7777899 [0,2,0,0,0,0|1,0,1]=4 704 B12R0.256 CCCC(CC(C)C)OC/C=C/Cl 5e1787bbc795766324311d2d44095e63 [0,2,0,0,0,0|1,0,1]=4 705 B12R0.256 CCCC(CC(C)C)OC/C=C\Cl 994f2f2fbfaae3f4cc2f9e11b19461c6 [0,2,0,0,0,0|1,0,1]=4 706 B12R0.256 CCCC(CC(C)C)OCCC#N 5f32c3996bab88c2152e2907df126386 [0,2,0,0,0,0|1,0,0]=3 707 B12R0.256 CCCC(CC(C)C)OCCC=O 2de02c6f09b330da818946daef6fe4b7 [0,2,0,0,0,0|1,0,0]=3 708 B12R0.256 CCCC(CC(C)C)OCCCF 6259e8e45737335fe44416176ec38b1e [0,2,0,0,0,0|1,0,0]=3 709 B12R0.256 CCCC(CC(C)C)OCCCS 13e489c013485d560edac9f599f22164 [0,2,0,0,0,0|1,0,0]=3 710 B12R0.256 CCCC(CC(C)C)OCCOC 5f769970ec0844a7f002d1bc01210125 [0,2,0,0,0,0|1,0,0]=3 711 B12R0.256 CCCC(CC(C)C)OCCSC 5872623343f981219c8bc946fe9d8425 [0,2,0,0,0,0|1,0,0]=3 712 B12R0.256 CCCC(CC(C)C)OCOCC ea227f154aa41c634c67b3fb85cc8cd3 [0,2,0,0,0,0|1,0,0]=3 713 B12R0.256 CCCC(CC(C)C)OCSC#N 78326f9482d3765dd3656d5d364a1559 [0,2,0,0,0,0|1,0,1]=4 714 B12R0.256 CCCCOC(CCC)CC(C)C b693551ea33ea5f3640fbb40807a794a [0,2,0,0,0,0|1,0,0]=3 715 B12R0.256 CCCN(CCOCC)CC(C)C 47cfc97d257feeecc29a1bc1b2131bcd [0,2,0,0,0,0|2,0,0]=4 716 B12R0.256 CCOCN[C@@H](COC)CC(C)C ec2a62ab5999de73672d53069295cc42 [0,2,0,0,0,0|2,0,0]=4 717 B12R0.163 CCOC(OCC)C(=O)N(C)CC 2ff048f2e67f455314b3d7b0bdaeb449 [0,2,0,0,0,0|1,0,1]=4 718 B12R0.163 CCOC(OCC)C(C)N(C)CC 73fc0b33e5ee4511d072b2c71af3c265 [0,2,0,0,0,0|1,0,0]=3 719 B12R0.22 C#CCN(C)CC(OCC)OCC f8d32b7a6a32f75758049817f56ece52 [0,2,0,0,0,0|1,0,0]=3 720 B12R0.22 C=CCN(C)CC(OCC)OCC 98e7c4fbdf923768ce7a5a895f728aa7 [0,2,0,0,0,0|1,0,0]=3 721 B12R0.22 CCCN(C)CC(OCC)OCC f8586bde9605fb0e7a29eeaeb3a140cc [0,2,0,0,0,0|1,0,0]=3 722 B12R0.22 CCOC(CN(C)CC#N)OCC d49b8149e2bc4108e2a17dbf50998f8e [0,2,0,0,0,0|1,0,0]=3 723 B12R0.22 CCOC(CN(C)CC=O)OCC cae91f69e954931546178dde2450f108 [0,2,0,0,0,0|1,0,0]=3 724 B12R0.22 CCOC(CN(C)CCF)OCC e44f7a96f394932ddaee8ff696419f25 [0,2,0,0,0,0|1,0,0]=3 725 B12R0.22 CCOC(CN(C)CCO)OCC 3c2af6f443d1617889c6abcd01040e14 [0,2,0,0,0,0|1,0,0]=3 726 B12R0.22 CCOC(CN(C)CCS)OCC e3b9f2819467eac624c3bf6990084e66 [0,2,0,0,0,0|1,0,0]=3 727 B12R0.22 CCOC(CN(C)COC)OCC a376c305cbdede43456eb7c727d3f71b [0,2,0,0,0,0|1,0,0]=3 728 B12R0.22 CCOC(CN(C)CSC)OCC 76ce08c71ff286933b5734e12c927f74 [0,2,0,0,0,0|1,0,0]=3 729 B12R0.162 CCOC(CN(C=O)CC)OCC 5961d05027ec986b8e6c352745f434b6 [0,2,0,0,0,0|1,0,1]=4 730 B12R0.162 CCOC(CN(CC)CC)OCC b4b22ce70ff7f654850ce0a223e77c38 [0,2,0,0,0,0|1,0,0]=3 731 B12R0.162 CCOC(CN(CC)CF)OCC 6e32240213e6a9528254e05dd9e25e53 [0,2,0,0,0,0|1,0,0]=3 732 B12R0.162 CCOC(CN(CC)CO)OCC 96563ec28cccdbaacfc892588fca4e8d [0,2,0,0,0,0|1,0,0]=3 733 B10R1.8 CCN1CC(CC(C1)C)C 58116df5a0c9e005401cbb85555a9e4c [1,0,0,1,0,0|2,0,0]=4 734 B10R1.8 CCN1C[C@@H](C[C@@H](C1)C)C 56df8f8f2f1ab20a1db4b638c6b3fdb9 [1,0,0,1,0,0|2,0,0]=4 735 B10R1.10 CC1CC(CCO1)OCF 23db4e2e87cff1a153177f6d9328446a [1,0,0,1,0,0|2,0,0]=4 736 B10R1.10 CC1CCCC(C1)NCF 3a585411dc52b2db016103bbb5bbb45f [1,0,0,1,0,0|2,0,0]=4 737 B10R1.10 CC1CCCC(C1)NCO 5b990827fa9fea6446790d320ee857b3 [1,0,0,1,0,0|2,0,0]=4 738 B10R1.10 CC1CCCC(C1)OCF ee42c01f55e35e9a46ba40b0962955f9 [1,0,0,1,0,0|1,0,0]=3 739 B10R1.10 CCCN1CCCC(C1)C 10722657823b505b789ed627a8c61fd8 [1,0,0,1,0,0|2,0,0]=4 740 B10R1.10 CCCN1CCC[C@@H](C1)C 42accd0af676748aeef95475de04bd47 [1,0,0,1,0,0|2,0,0]=4 741 B10R1.10 CCCN1CCC[C@H](C1)C 3fdfd8108804c0fcef74b387a8d79dff [1,0,0,1,0,0|2,0,0]=4 742 B10R1.10 CCNC1CCCC(C1)C 77f1f79b4adaf95ab4b9ef12620388b0 [1,0,0,1,0,0|1,0,0]=3 743 B10R1.10 CCNC1CCCC(C1)O 113e722fc1e449e3e54ccf67b4ce78a7 [1,0,0,1,0,0|2,0,0]=4 744 B10R1.10 CCNC1CCCN(C1)C 13e083064425b009ca1fb2ca02711930 [1,0,0,1,0,0|2,0,0]=4 745 B10R1.10 CCNC1CCOC(C1)C 51a7c8af2ac0a49d1a68f4077df6099f [1,0,0,1,0,0|2,0,0]=4 746 B10R1.10 CCN[C@@H]1CCCN(C1)C 33ba229c4b41f28a5913014ba225fa45 [1,0,0,1,0,0|2,0,0]=4 747 B10R1.10 CCN[C@@H]1CCC[C@@H](C1)O 7f9bb0b6d56b12bb66d83f760d316ab1 [1,0,0,1,0,0|2,0,0]=4 748 B10R1.10 CCN[C@@H]1CCC[C@H](C1)C b54432e71e2a2bf8bdf4246e5c24a915 [1,0,0,1,0,0|1,0,0]=3 749 B10R1.10 CCN[C@@H]1CCC[C@H](C1)O 396290b6b5db7e9cb63a3fcf9b0c183b [1,0,0,1,0,0|2,0,0]=4 750 B10R1.10 CCN[C@@H]1CCO[C@@H](C1)C cb7dc9317fd360e840a275a540d9c5ed [1,0,0,1,0,0|2,0,0]=4 751 B10R1.10 CCN[C@@H]1CCO[C@H](C1)C 2255e0ed9e9cdbba9d9cfe64a96c97b2 [1,0,0,1,0,0|2,0,0]=4 752 B10R1.10 CCN[C@H]1CCCN(C1)C b1bf2b4d750f6bfa987f4bb4ea7572fc [1,0,0,1,0,0|2,0,0]=4 753 B10R1.10 CCN[C@H]1CCC[C@@H](C1)O 79d8666b7770f893e752839182a97ad1 [1,0,0,1,0,0|2,0,0]=4 754 B10R1.10 CCN[C@H]1CCC[C@H](C1)O 5b66beda661cb9accdacd389931ec98f [1,0,0,1,0,0|2,0,0]=4 755 B10R1.10 CCN[C@H]1CCO[C@@H](C1)C 11e85dd6c7585a5faf7863f56f31d984 [1,0,0,1,0,0|2,0,0]=4 756 B10R1.10 CCN[C@H]1CCO[C@H](C1)C 1fbdc56c9d986426365c66c751a0d446 [1,0,0,1,0,0|2,0,0]=4 757 B10R1.10 CCOC1C=C(CCC1)C d9eb6c6cd48b33da0c9d05cf485ca643 [1,0,0,1,0,0|0,0,2]=4 758 B10R1.10 CCOC1CCCC(=O)C1 7694e8ef5c808ba4dfd648fc2fdd5673 [1,0,0,1,0,0|1,0,1]=4 759 B10R1.10 CCOC1CCCC(C1)C 05d0af7621eacccee87006fe3e417b13 [1,0,0,1,0,0|0,0,0]=2 760 B10R1.10 CCOC1CCCN(C1)C 7fac3ee0c7265cd3dee0d6def2acf995 [1,0,0,1,0,0|1,0,0]=3 761 B10R1.10 CCOC1CCOC(C1)C 4995be4c683a8fc0b22c6d7c934af05f [1,0,0,1,0,0|1,0,0]=3 762 B10R1.10 CCO[C@@H]1CCCN(C1)C 8792e0ec2d00de10f4fb5369bf62dbd8 [1,0,0,1,0,0|1,0,0]=3 763 B10R1.10 CCO[C@@H]1CCC[C@@H](C1)C ce55d21559242a12587fb793cf17f8c8 [1,0,0,1,0,0|0,0,0]=2 764 B10R1.10 CCO[C@@H]1CCO[C@@H](C1)C 1f09d7291ca66f49d47f3c20ef5062e9 [1,0,0,1,0,0|1,0,0]=3 765 B10R1.10 CCO[C@@H]1CCO[C@H](C1)C 379686bf7b276e155f68e113ba0aedb8 [1,0,0,1,0,0|1,0,0]=3 766 B10R1.10 CCO[C@H]1CCCN(C1)C dc6a0d691a196305da622e2d54e468fe [1,0,0,1,0,0|1,0,0]=3 767 B10R1.10 CCO[C@H]1CCC[C@@H](C1)C 39c7f1f81843ee831419d80230008049 [1,0,0,1,0,0|0,0,0]=2 768 B10R1.10 CCO[C@H]1CCC[C@H](C1)C c3bbffbe08f75b723c5a87fe9bd00adc [1,0,0,1,0,0|0,0,0]=2 769 B10R1.10 CCO[C@H]1CCO[C@@H](C1)C fc3ea2ca42162b22b37fe3ace5558969 [1,0,0,1,0,0|1,0,0]=3 770 B10R1.10 CCO[C@H]1CCO[C@H](C1)C 5839222d06d24eb14355e03cc9a74f91 [1,0,0,1,0,0|1,0,0]=3 771 B10R1.10 CN1CCCC(C1)OCF a41355185de23693231d10dd3314a382 [1,0,0,1,0,0|2,0,0]=4 772 B10R1.10 CN1CCC[C@@H](C1)OCF 7d7b78691af2225b5d9adf493e3f3f2d [1,0,0,1,0,0|2,0,0]=4 773 B10R1.10 CN1CCC[C@H](C1)OCF 53fb15ceeed817b2752a59cc27f9f66b [1,0,0,1,0,0|2,0,0]=4 774 B10R1.10 C[C@@H]1CCC[C@@H](C1)OCF 81bb9715deaae3cbc92a9e1504fe0c1c [1,0,0,1,0,0|1,0,0]=3 775 B10R1.10 C[C@@H]1CCC[C@H](C1)NCF 40b2f07b0b83e2e23e28dfa98670612b [1,0,0,1,0,0|2,0,0]=4 776 B10R1.10 C[C@@H]1CCC[C@H](C1)NCO 0141010beb818bcf4396f3fc169829fc [1,0,0,1,0,0|2,0,0]=4 777 B10R1.10 C[C@@H]1C[C@@H](CCO1)OCF 78f1ff9a6b9a5e63f6824c6e822f61e7 [1,0,0,1,0,0|2,0,0]=4 778 B10R1.10 C[C@@H]1C[C@H](CCO1)OCF 9477be1db38586a4ccec1d645c0c8e6c [1,0,0,1,0,0|2,0,0]=4 779 B10R1.10 C[C@H]1CCC[C@@H](C1)OCF bbbcaf6195e1239bf9227a22fb623886 [1,0,0,1,0,0|1,0,0]=3 780 B10R1.10 C[C@H]1CCC[C@H](C1)OCF 36d2c58f8018d103e578ffcb512be0bc [1,0,0,1,0,0|1,0,0]=3 781 B10R1.10 C[C@H]1C[C@@H](CCO1)OCF 619142df144bc539735fce9ac5823e4f [1,0,0,1,0,0|2,0,0]=4 782 B10R1.10 C[C@H]1C[C@H](CCO1)OCF 636d22864e95592b64852bf51a6ef18e [1,0,0,1,0,0|2,0,0]=4 783 B10R1.18 CC(C)OC1CCCCC1 901407d6daa772a248b53aa4b6ac8e30 [1,0,0,1,0,0|2,0,0]=4 784 B10R1.18 CC(C)OC1CCCCO1 cd0775eac08e04c38cddc5a061e10e3a [1,0,0,1,0,0|1,0,0]=3 785 B10R1.39 CCC1CCCN1C(C)C cc62b4732a6e7f5a04b8299bc0e2343e [1,0,0,1,0,0|2,0,0]=4 786 B10R1.39 CCN1CCCC1C(C)C 9c0f27f4ef2f46fb800dcd029b9d2e60 [1,0,0,1,0,0|2,0,0]=4 787 B10R1.39 CCN1CCC[C@H]1C(C)C 80b479c687f9734bae23a3f63f622ae1 [1,0,0,1,0,0|2,0,0]=4 788 B10R1.39 CC[C@@H]1CCCN1C(C)C 821406c7e8150b2d7a7ad82202312d34 [1,0,0,1,0,0|2,0,0]=4 789 B10R1.39 COC1CCCN1C(C)C 9a08447a4fbe8ddf8fe2f223160449f8 [1,0,0,1,0,0|2,0,0]=4 790 B10R1.54 CC(C)CN1CCC(C1)C 5ddeb571bb043e70c6b5dd8f1a8ae102 [1,0,0,1,0,0|2,0,0]=4 791 B10R1.54 CC1CCC(C1)NC(C)C f41899951f0558c0e93b8497da180219 [1,0,0,1,0,0|2,0,0]=4 792 B10R1.54 CC1CCC(C1)OC(C)C cb639f9232ea57de15a717e114327102 [1,0,0,1,0,0|2,0,0]=4 793 B10R1.64 CC(C)CN1CCCC1C 60655d0bf9339128ee0c59c47faa180f [1,0,0,1,0,0|2,0,0]=4 794 B10R1.64 CC(C)CN1CCC[C@@H]1C f9257a4b233727595f8fa72243971beb [1,0,0,1,0,0|2,0,0]=4 795 B10R1.64 CC(C)CN1CCC[C@H]1C 72b3108669eb84aab066e2a007eb3336 [1,0,0,1,0,0|2,0,0]=4 796 B10R1.64 CC(C)OC1CCCC1C 32ae69ab469be9b6969ba109b3fdf80b [1,0,0,1,0,0|2,0,0]=4 797 B10R1.64 CC(C)O[C@@H]1CCC[C@@H]1C 5209a70ffd095670612e6463d5121660 [1,0,0,1,0,0|2,0,0]=4 798 B10R1.64 CC(C)O[C@@H]1CCC[C@H]1C 8adcab8a49c009a427a9f4999bfddb93 [1,0,0,1,0,0|2,0,0]=4 799 B10R1.64 CC(C)O[C@H]1CCC[C@@H]1C 13d7273ea82e8bc5af90793b7d4d37c3 [1,0,0,1,0,0|2,0,0]=4 800 B10R1.64 CC(C)O[C@H]1CCC[C@H]1C 30ac021cd32bdc111cbe68d1119e0b82 [1,0,0,1,0,0|2,0,0]=4 801 B10R1.69 CCCC(CC)NC1CC1 13f80134d7c8e1106bcf1614351f0291 [1,0,0,1,0,0|2,0,0]=4 802 B10R1.69 CCCC(CC)OC1CC1 e05958608dbe2d565c8b3702f2af9bf4 [1,0,0,1,0,0|2,0,0]=4 803 B10R1.69 CCCN(CC)CC1CC1 35870c16888d11f56efcbe75627ba095 [1,0,0,1,0,0|2,0,0]=4 804 B10R1.69 CCC[C@@H](CC)OC1CC1 7ae95bedbf228686f3e0075f1d474c14 [1,0,0,1,0,0|2,0,0]=4 805 B10R1.86 CCNC1COC1C(C)C 17ad998a3094f71cb0e241b8cd6d0197 [1,0,0,1,0,0|2,0,0]=4 806 B10R1.86 CCN[C@@H]1CO[C@@H]1C(C)C 19ca5164a3cbec5af44613b4aedaa6cd [1,0,0,1,0,0|2,0,0]=4 807 B10R1.95 CC1(CC(CO1)OCF)C 348da9229df5a0c0c83b6183321273b8 [1,0,0,1,0,0|2,0,0]=4 808 B10R1.95 CC1(CCC(C1)NCF)C 120af08931fbfd3fdd3cca0086463aa2 [1,0,0,1,0,0|2,0,0]=4 809 B10R1.95 CC1(CCC(C1)NCO)C 03d1ef6350549c352cc1d728c988e6f6 [1,0,0,1,0,0|2,0,0]=4 810 B10R1.95 CCCN1CCC(C1)(C)C d740397c32f7efad75f18990153af4b4 [1,0,0,1,0,0|2,0,0]=4 811 B10R1.95 CCNC1CCC(C1)(C)C d07bca67d99b1056d6105108dbaf7c61 [1,0,0,1,0,0|1,0,0]=3 812 B10R1.95 CCNC1COC(C1)(C)C b346dfe028015e5462a7c9a8c4fb6d35 [1,0,0,1,0,0|2,0,0]=4 813 B10R1.95 CCOC1CCC(C1)(F)F efc5a9160b336f6142713cdc6492171f [1,0,0,1,0,0|2,0,0]=4 814 B10R1.95 CCOC1COC(C1)(C)C 5b3b07d6abe9ee06852e5d7c07ec5397 [1,0,0,1,0,0|1,0,0]=3 815 B10R1.95 CCO[C@@H]1CCC(C1)(F)F 628e905d6277d3b94acafd5be3e4c362 [1,0,0,1,0,0|2,0,0]=4 816 B10R1.95 CCO[C@H]1CCC(C1)(F)F 6d62589688572653e96b7cb60e0016e3 [1,0,0,1,0,0|2,0,0]=4 817 B10R1.130 CCO[C@@H]1CN(C[C@@H]1F)C 83b6038ac0218a7aca8ba5cb86af26be [1,0,0,1,0,0|2,0,0]=4 818 B10R1.130 CCO[C@H]1CN(C[C@@H]1F)C 232e237ba56bcf8c95f19bdf4c0f2373 [1,0,0,1,0,0|2,0,0]=4 819 B10R1.171 CCN1CCCC(C1)(C)C 306b807388cc6c1e65d2be4c41b72519 [1,0,0,1,0,0|2,0,0]=4 820 B10R1.173 CCC1CCN1CC(C)C 88505123f014c6f8812cba7ffff33393 [1,0,0,1,0,0|2,0,0]=4 821 B10R1.207 CCOC1CC(C1C)(F)F 3523159b67be414ab55ae910ef164ff3 [1,0,0,1,0,0|2,0,0]=4 822 B10R1.227 CCC1(CCC1)NC(C)C d8ef95cd7d192870b09b41d9fbebb244 [1,0,0,1,0,0|2,0,0]=4 823 B10R1.374 CCC(NC(C)C)C1CC1 24c3c74b7f952c6d55f7c2de1eec3dbc [1,0,0,1,0,0|2,0,0]=4 824 B10R1.374 CCC(OC(C)C)C1CC1 c15368dedbe9989648064fab5c7cf780 [1,0,0,1,0,0|2,0,0]=4 825 B10R1.374 CCN(CC(C)C)C1CC1 7f9c6b6e1627828b1450bc18abf9e076 [1,0,0,1,0,0|2,0,0]=4 826 B10R1.394 CCCC1(CC1)NC(C)C ea6707cdd8e3788e3be7d978d45daf58 [1,0,0,1,0,0|2,0,0]=4 827 B10R1.394 CCOC1(CC1)OC(C)C b502b970ffe2845e730277c37d0a8f66 [1,0,0,1,0,0|1,0,0]=3 828 B10R1.454 CCN1C(CC1(C)C)CO 3e29ab869605588b24e521189160ec91 [1,0,0,1,0,0|2,0,0]=4 829 B10R1.5 CCCC1SCCN1CC 55f5d53e9606e42fdb59aabf482e2d59 [1,0,0,1,0,0|1,1,0]=4 830 B10R1.5 CCN[C@@H]1CCC[C@H]1CC 829046397b0448368c40c4d774afac20 [1,0,0,1,0,0|2,0,0]=4 831 B10R1.85 CCNC1CCCCCC1 0c95c29b93e32e146162fd72980d84b0 [1,0,0,1,0,0|2,0,0]=4 832 B10R1.85 CCOC1CCCCCC1 3ceaf49955c2e83c7e4ec278fd2e50f6 [1,0,0,1,0,0|1,0,0]=3 833 B10R1.85 CCOC1CCCOCC1 eb88bd3389c520df3554ee47bbccb2fe [1,0,0,1,0,0|2,0,0]=4 834 B10R1.85 FCOC1CCCCCC1 5716769f937d10c4581f0ddcaefc884e [1,0,0,1,0,0|2,0,0]=4 835 B10R1.131 CCO[C@@H]1C[C@@H](N(C1)C)C 6bc71891f9a8924702ee425ba2777815 [1,0,0,1,0,0|2,0,0]=4 836 B10R1.131 CCO[C@@H]1C[C@H](N(C1)C)C d5b7ba31671f7bd7cff99708f661387f [1,0,0,1,0,0|2,0,0]=4 837 B10R1.131 CCO[C@H]1C[C@@H](N(C1)C)C 8947967c7c8286dda91a803577a7e114 [1,0,0,1,0,0|2,0,0]=4 838 B10R1.131 CCO[C@H]1C[C@H](N(C1)C)C 82adf59fb4e986a0e3560d5bba6ee17b [1,0,0,1,0,0|2,0,0]=4 839 B10R1.4 CC1CCCCC1OCF c019e894d67eaa147137c1ce65162cdf [0,0,0,1,1,0|2,0,0]=4 840 B10R1.4 CCNC1CCCCC1C 0a6a67710a04d0a4019e93d8f358beef [0,0,0,1,1,0|2,0,0]=4 841 B10R1.4 CCN[C@@H]1CCCC[C@@H]1C e1838a3dfce1be8774030cb38cadc8a8 [0,0,0,1,1,0|2,0,0]=4 842 B10R1.4 CCN[C@@H]1CCCC[C@H]1C 615764c975ae11d6bfe89a970bd051eb [0,0,0,1,1,0|2,0,0]=4 843 B10R1.4 CCN[C@H]1CCCC[C@@H]1C be0f57ee3e667adc7604c643c6c81280 [0,0,0,1,1,0|2,0,0]=4 844 B10R1.4 CCN[C@H]1CCCC[C@H]1C fc338e738c022c0d4e1728f6dd42fc12 [0,0,0,1,1,0|2,0,0]=4 845 B10R1.4 CCOC1CCCCC1C 98a98ba096ca8cc7e27c67a7da40ad7b [0,0,0,1,1,0|1,0,0]=3 846 B10R1.4 CCOC1CCCCC1F 079d4f9d37c5ce8da3be8df805e7ccac [0,0,0,1,1,0|2,0,0]=4 847 B10R1.4 CCOC1CCOCC1C 4465e9ba3cf6422ff58321c48dabda27 [0,0,0,1,1,0|2,0,0]=4 848 B10R1.4 CCO[C@@H]1CCCC[C@@H]1C 83d8c0bfbcf5371da8c218bad9c586f9 [0,0,0,1,1,0|1,0,0]=3 849 B10R1.4 CCO[C@@H]1CCCC[C@H]1F b305ec38a4fc4688a7a568327f40ca75 [0,0,0,1,1,0|2,0,0]=4 850 B10R1.4 CCO[C@H]1CCCC[C@@H]1C ec4e8495974299370fc90a30a76e8186 [0,0,0,1,1,0|1,0,0]=3 851 B10R1.4 CCO[C@H]1CCCC[C@H]1C 4418bd5b72dfb837aa581fefe48f6627 [0,0,0,1,1,0|1,0,0]=3 852 B10R1.4 C[C@@H]1CCCC[C@@H]1OCF e6622b115f3f5e4b50d4679b00ee05c9 [0,0,0,1,1,0|2,0,0]=4 853 B10R1.4 C[C@H]1CCCC[C@@H]1OCF b3be85fd90b5dac4d2f889f15d005f32 [0,0,0,1,1,0|2,0,0]=4 854 B10R1.4 C[C@H]1CCCC[C@H]1OCF 203bd5f17e23a87bab63c93749399803 [0,0,0,1,1,0|2,0,0]=4 855 B10R1.133 CC1(CCCC1OCF)C 340a04d1e047eed69d0ab1cad260f109 [0,0,0,1,1,0|2,0,0]=4 856 B10R1.133 CC1(CCC[C@@H]1OCF)C 477400a30f9569882d6830486a66035d [0,0,0,1,1,0|2,0,0]=4 857 B10R1.133 CC1(CCC[C@H]1OCF)C f5d7bdd8d9ded2f576d66c559f0df5ba [0,0,0,1,1,0|2,0,0]=4 858 B10R1.133 CCNC1CCCC1(C)C 3de63c413762484e3b90c3529f146c4f [0,0,0,1,1,0|2,0,0]=4 859 B10R1.133 CCOC1CCCC1(C)C 2450b7a463181df255f5efe5f3266618 [0,0,0,1,1,0|1,0,0]=3 860 B10R1.133 CCO[C@@H]1CCCC1(C)C b467c1989ace4cd90af64467f0f7f0b0 [0,0,0,1,1,0|1,0,0]=3 861 B10R1.133 CCO[C@H]1CCCC1(C)C e2ab1bbc101f308603f791db3599b839 [0,0,0,1,1,0|1,0,0]=3 862 B12R1.81 CCN1CCCC1CNC(C)C dd7c9ba7dbf54cadb3d1864b883568f2 [0,0,0,1,0,1|2,0,0]=4 863 B12R1.81 CCN1CCCC1COC(C)C 14d3b99fc9f938e615dfddbcd37f90f3 [0,0,0,1,0,1|2,0,0]=4 864 B12R1.81 CCN1CCC[C@@H]1CNC(C)C b2158591be5efad162ceed236097e280 [0,0,0,1,0,1|2,0,0]=4 865 B12R1.81 CCN1CCC[C@@H]1COC(C)C 857c9b0d201d6d9d498fcfd2896495d4 [0,0,0,1,0,1|2,0,0]=4 866 B12R1.81 CCN1CCC[C@H]1CNC(C)C ca0cd0db3e5edf7ed53a5bc2f823bc9b [0,0,0,1,0,1|2,0,0]=4 867 B12R1.81 CCN1CCC[C@H]1COC(C)C 02a9d10c7b84f071cb900213fb13e724 [0,0,0,1,0,1|2,0,0]=4 868 B12R1.81 CC[C@@H]1CCC[C@H]1NCC(C)C 855931a1fa970c8ae3a628471fdfba93 [0,0,0,1,0,1|2,0,0]=4 869 B12R1.226 CC(C)CNC1CCCC(C1)C ab764aec844372423bf653004da573a9 [0,0,0,1,0,1|2,0,0]=4 870 B12R1.226 CC(C)CN[C@@H]1CCC[C@H](C1)C 62f1fa473b93956333ae930b32a45e24 [0,0,0,1,0,1|2,0,0]=4 871 B12R1.226 CC(C)COC1CCCC(C1)C b643bc958e7b035192abd9bee5245613 [0,0,0,1,0,1|2,0,0]=4 872 B12R1.226 CC(C)CO[C@@H]1CCC[C@@H](C1)C 386cc7c5c8fb6ad640bd44497b7c7047 [0,0,0,1,0,1|2,0,0]=4 873 B12R1.226 CC(C)CO[C@H]1CCC[C@@H](C1)C dd960dc72c40b51ffff9d689ad1710b9 [0,0,0,1,0,1|2,0,0]=4 874 B12R1.226 CC(C)CO[C@H]1CCC[C@H](C1)C 05f2cc12d0a1712fff02d64889488e51 [0,0,0,1,0,1|2,0,0]=4 875 B12R1.226 CC(C)NCC1CN(CCO1)C 6501fa3a9e382be56c5e2ef5d6f2fccd [0,0,0,1,0,1|2,0,0]=4 876 B12R1.226 CC(C)NC[C@@H]1CN(CCO1)C f05c808f82c8f0448253ea7fb4767d04 [0,0,0,1,0,1|2,0,0]=4 877 B12R1.226 CC(C)NC[C@H]1CN(CCO1)C 37c0a4b807b80c183a7c0892a29627db [0,0,0,1,0,1|2,0,0]=4 878 B12R1.226 CC(C)OCC1CN(CCO1)C 325cc40ede86b2195b86819fedefed03 [0,0,0,1,0,1|2,0,0]=4 879 B12R1.226 CC(C)OC[C@@H]1CN(CCO1)C dbaa54f0336d56d3b63c06482cffa4ae [0,0,0,1,0,1|2,0,0]=4 880 B12R1.226 CC(C)OC[C@H]1CN(CCO1)C 83b45d348bf9767389e63a632ff4d788 [0,0,0,1,0,1|2,0,0]=4 881 B12R1.226 CC1CCCC(C1)CNC(C)C a3f880a279e16a7a86f37d9edd6353a1 [0,0,0,1,0,1|2,0,0]=4 882 B12R1.226 CC1CCCC(C1)COC(C)C aeeeb9a62e3aa63f80bdea4ed535489c [0,0,0,1,0,1|2,0,0]=4 883 B12R1.279 CC(C)N1CCCC(C1)OCF c8f0e7155617352c336d15b102795706 [0,0,0,1,0,1|2,0,0]=4 884 B12R1.279 CC(C)N1CCOC(C1)CCO 2252b1c520b4abae8bee408c479605f4 [0,0,0,1,0,1|2,0,0]=4 885 B12R1.279 CCNC1CCCN(C1)C(C)C d6391e0f28e16d28cccb65b0d1589324 [0,0,0,1,0,1|2,0,0]=4 886 B12R1.279 CCOC1CCCN(C1)C(C)C aa1b8c2935a91e2a10f8f932476cede7 [0,0,0,1,0,1|1,0,0]=3 887 B12R1.279 CCOC1CN(CCO1)C(=O)C 1c3855ce2c8467e1ef318f1903510ad7 [0,0,0,1,0,1|1,0,1]=4 888 B12R1.279 CCOC1CN(CCO1)C(C)C c01c24b4ef2407ae6312940bbc5049e4 [0,0,0,1,0,1|0,0,0]=2 889 B12R1.279 COC[C@@H]1CN(CCO1)C(C)C 04eec14ced2d90b18829aa323d176f97 [0,0,0,1,0,1|2,0,0]=4 890 B12R1.279 COC[C@H]1CN(CCO1)C(C)C e7f9eb3ecd35c4083ebdbd8ccead8c65 [0,0,0,1,0,1|2,0,0]=4 891 B12R1.289 CCCC1SCCN1CC(C)C edcfd1a33c3e674183c651cdd2c9e27c [0,0,0,1,0,1|1,1,0]=4 892 B12R1.1343 CC(C)CNC1CCCCCC1 326b862169c42b96fad2950ab8c6a2e3 [0,0,0,1,0,1|2,0,0]=4 893 B12R1.1343 CC(C)COC1CCCCCC1 a543c67eb61bd039825940a0b227907c [0,0,0,1,0,1|2,0,0]=4 894 B12R1.1343 CC(C)NCC1CCCCCC1 c2a8e074d5a8dbafdd22e3143e2bd358 [0,0,0,1,0,1|2,0,0]=4 895 B12R1.1343 CC(C)OCC1CCCCCC1 1d7223bfc94290235c543bbf748d0778 [0,0,0,1,0,1|2,0,0]=4 896 B12R1.1465 CCCC1(CCC1)CNC(C)C aad4716948de076dd84b0f2a0332e463 [0,0,0,1,0,1|2,0,0]=4 897 B12R1.1509 CCCC(CCC)NC1CC1C 89e3f1a1f65f21c3909851baacd1b08f [0,0,0,1,0,1|2,0,0]=4 898 B12R1.1511 CCCC(CCC)CNC1CC1 457e09022ee21c4637d87163fd7460db [0,0,0,1,0,1|2,0,0]=4 899 B12R1.1511 CCCC(CCC)COC1CC1 5da8832f4aedd00369e92fe359097b5c [0,0,0,1,0,1|2,0,0]=4 900 B12R1.1511 CCCC(CCC)NCC1CC1 4503acb935fd7737f9eddad94a931946 [0,0,0,1,0,1|2,0,0]=4 901 B12R1.1511 CCCC(CCC)OCC1CC1 1df11038cbd9c2fd0ba670d71d8751ef [0,0,0,1,0,1|2,0,0]=4 902 B12R1.1511 CCOC(CNC1CC1)OCC 18cf43f5b0cd4cf87cad02fdb481f00c [0,0,0,1,0,1|0,0,0]=2 903 B12R1.1511 CCOC(COC1CC1)OCC c35ba90458aa13c47d074d782070a332 [0,0,0,1,0,1|0,0,0]=2 904 B12R1.3352 CCCC(CCC)N1CC1(C)C 2b601aaf931e47483c32311a6795795d [0,0,0,1,0,1|2,0,0]=4 905 B12R1.42 CC1CC(CC(C1)(C)C)OCF 78df43af3bcbc42938323bceaa12bef0 [0,1,0,1,0,0|2,0,0]=4 906 B12R1.42 CCNC1CC(CC(C1)(C)C)C 850779958b8c640c86d7b1f323ab990b [0,1,0,1,0,0|2,0,0]=4 907 B12R1.42 CCOC1C=C(CC(C1)(C)C)C 0ed919285101a74f0ddb4f07376d3583 [0,1,0,1,0,0|1,0,1]=4 908 B12R1.42 CCOC1CC(CC(C1)(C)C)C 51a4be62081a1b91bef007755d11bc9d [0,1,0,1,0,0|1,0,0]=3 909 B12R1.42 CCO[C@@H]1C[C@@H](CC(C1)(C)C)C 88d98ef7d2ae4b3e04c44ff1eeb1fd66 [0,1,0,1,0,0|1,0,0]=3 910 B12R1.42 CCO[C@@H]1C[C@H](CC(C1)(C)C)C d706dd72681e76c0ba2a0e3688d0b8ce [0,1,0,1,0,0|1,0,0]=3 911 B12R1.42 CCO[C@H]1C[C@@H](CC(C1)(C)C)C 54d39dd3739ea077dedffad0e17f7212 [0,1,0,1,0,0|1,0,0]=3 912 B12R1.42 CCO[C@H]1C[C@H](CC(C1)(C)C)C a873db9e0a482cb0429c0ced9f9a10ed [0,1,0,1,0,0|1,0,0]=3 913 B12R1.42 C[C@@H]1C[C@@H](CC(C1)(C)C)OCF 5416dc724e898b5b22385a2a7cf2d43d [0,1,0,1,0,0|2,0,0]=4 914 B12R1.42 C[C@@H]1C[C@H](CC(C1)(C)C)OCF 5616629c0d9d70f95b2c7f3b7f4062b6 [0,1,0,1,0,0|2,0,0]=4 915 B12R1.42 C[C@H]1C[C@@H](CC(C1)(C)C)OCF fda10cc770b3b68c0b8230c73c14ee91 [0,1,0,1,0,0|2,0,0]=4 916 B12R1.42 C[C@H]1C[C@H](CC(C1)(C)C)OCF e49e6edff9c4b55a8561df426359b38f [0,1,0,1,0,0|2,0,0]=4 917 B12R1.101 CC(C)OC1CC(OC(C1)C)C dd2373f4bfba26cdef37c552a1ad72c6 [0,1,0,1,0,0|2,0,0]=4 918 B12R1.101 CC(C)OC1C[C@H](O[C@H](C1)C)C 39e42a730825c82a8c89d95e61b9e008 [0,1,0,1,0,0|2,0,0]=4 919 B12R1.101 CC(C)O[C@@H]1C[C@@H](C[C@@H](C1)C)C a9601469dd5a7375c5e7e8a0ca4b0f62 [0,1,0,1,0,0|1,0,0]=3 920 B12R1.101 CC(C)O[C@@H]1C[C@H](O[C@H](C1)C)C c67b76cb4c00f6f7818dd3b4a6875597 [0,1,0,1,0,0|2,0,0]=4 921 B12R1.101 CC(C)O[C@H]1C[C@H](O[C@H](C1)C)C 3b88b1ad4c8a4e2c24a390f968633e27 [0,1,0,1,0,0|2,0,0]=4 922 B12R1.101 CC1=CC(CC(C1)C)OC(C)C 11b84ea03c424e15861950809e5fc199 [0,1,0,1,0,0|1,0,1]=4 923 B12R1.101 CC1CC(CC(C1)OC(C)C)C 546ec7621dad9e2fe4eb96dd2647c868 [0,1,0,1,0,0|1,0,0]=3 924 B12R1.392 CC(C)CC1CCCN1C(C)C 89f30c5d47280d84d2203584882ee454 [0,1,0,1,0,0|2,0,0]=4 925 B12R1.392 CC(C)OC1CCCC1C(C)C 87a30387397af20598b17000cd5d72c8 [0,1,0,1,0,0|1,0,0]=3 926 B12R1.392 CC(C)OC1CCCC1N(C)C 7ac58582a173028adf78759945d43251 [0,1,0,1,0,0|2,0,0]=4 927 B12R1.392 CC(C)O[C@@H]1CCC[C@H]1N(C)C 83f56e2ba71fa5446d25c40a03bdd5b1 [0,1,0,1,0,0|2,0,0]=4 928 B12R1.1531 C/C=C/C(CC(C)C)OC1CC1 7809e8eab063f6d946185ae0e0da428d [0,1,0,1,0,0|1,0,1]=4 929 B12R1.1531 CC=CC(CC(C)C)OC1CC1 318c6b335ec753c15be740a92ef3451d [0,1,0,1,0,0|1,0,1]=4 930 B12R1.1531 CCCC(CC(C)C)OC1CC1 8f8f90cd7a00c82da8408925dcf04a16 [0,1,0,1,0,0|1,0,0]=3 931 B12R1.1821 CC(C)NC1CCCC(C1)(C)C f478ac6e5d5e262e572e9c6a2bd76cf5 [0,1,0,1,0,0|2,0,0]=4 932 B12R1.1821 CC(C)N[C@@H]1CCCC(C1)(C)C 508cb312da459c8859327bbe4a94a9a8 [0,1,0,1,0,0|2,0,0]=4 933 B12R1.1821 CC(C)N[C@H]1CCCC(C1)(C)C b36a9ca8408640f655554782a7ebadfa [0,1,0,1,0,0|2,0,0]=4 934 B12R1.1821 CC(C)OC1CCCC(C1)(C)C 1afdc11078c66f90f3f056bdc2b37aba [0,1,0,1,0,0|1,0,0]=3 935 B12R1.1821 CC(C)OC1CCOC(C1)(C)C a66ec5906cea9da02524c5f894c9bb89 [0,1,0,1,0,0|2,0,0]=4 936 B12R1.1821 CC(C)O[C@@H]1CCOC(C1)(C)C cd6cda294865b0a8c20fe1146a814c5c [0,1,0,1,0,0|2,0,0]=4 937 B12R1.75 CC(C)CC1COCCN1CF 6feb1c602ae45c3ef50cf8d14603c610 [0,1,0,1,0,0|2,0,0]=4 938 B12R1.75 CC(C)CC1COCCN1CO b487601be29116b02fdcf04dc1e48ddb [0,1,0,1,0,0|2,0,0]=4 939 B12R1.75 CC(C)C[C@@H]1COCCN1CF 3488e63d6f911bfb525722a84e510b96 [0,1,0,1,0,0|2,0,0]=4 940 B12R1.75 CC(C)C[C@@H]1COCCN1CO 00073a47051a9d3a113b503c926090a6 [0,1,0,1,0,0|2,0,0]=4 941 B12R1.75 CC(C)C[C@H]1COCCN1CF 25bc49d16bfa9e2a779ab6b5e8cd11e2 [0,1,0,1,0,0|2,0,0]=4 942 B12R1.75 CC(C)C[C@H]1COCCN1CO 8979b5b379fbf07f04f38133e059837e [0,1,0,1,0,0|2,0,0]=4 943 B12R1.75 CCN1CCOCC1CC(C)C 8d39046873d89b148e52f07e186e08e8 [0,1,0,1,0,0|1,0,0]=3 944 B12R1.75 CCN1CCOCC1CN(C)C 8480bb5f0724fac8981a7e8b7c4b188e [0,1,0,1,0,0|2,0,0]=4 945 B12R1.75 CCN1CCOC[C@@H]1CC(C)C 0bf71588b7833d199f1db6bc29b93b6c [0,1,0,1,0,0|1,0,0]=3 946 B12R1.75 CCN1CCOC[C@H]1CC(C)C a7a26dc758ad04779cd65b9006fe917b [0,1,0,1,0,0|1,0,0]=3 947 B12R1.1529 CCO[C@@H](CC1CC1)C(=O)OC 8deb146aa2363609a5256f311861ca85 [0,1,0,1,0,0|2,0,0]=4 948 B12R1.1529 CCO[C@H](CC1CC1)C(=O)OC 39adbf45bd4603bf08b469582d236dcf [0,1,0,1,0,0|2,0,0]=4 949 B12R1.100 C#CCOC1CC(CC(C1)C)C 5277bebf5136c2d63e1512d0768238e8 [0,1,0,1,0,0|1,0,1]=4 950 B12R1.100 C#CCO[C@@H]1C[C@@H](C[C@@H](C1)C)C 8acf43ace5a85cb5c0e96f9a7ab72164 [0,1,0,1,0,0|1,0,1]=4 951 B12R1.100 C=CCOC1CC(CC(C1)C)C 40ffb69ffdee3113c096c2a2c655f6d2 [0,1,0,1,0,0|1,0,1]=4 952 B12R1.100 C=CCO[C@@H]1C[C@@H](C[C@@H](C1)C)C 35b670e2a701602756647505792f1fbc [0,1,0,1,0,0|1,0,1]=4 953 B12R1.100 CC1=CC(CC(C1)C)OCCF 0e68699ef5f053f251289d27c5d3f772 [0,1,0,1,0,0|1,0,1]=4 954 B12R1.100 CC1=CC(CC(C1)C)OCCS eda7f887f6f7de8bb8554c131d76347f [0,1,0,1,0,0|1,0,1]=4 955 B12R1.100 CC1CC(CC(C1)COCF)C 2d1df5064de6288748208c09b80a57cc [0,1,0,1,0,0|2,0,0]=4 956 B12R1.100 CC1CC(CC(C1)OCC#N)C e7c03dda59ffb586cb4b60e11cd15d12 [0,1,0,1,0,0|1,0,1]=4 957 B12R1.100 CC1CC(CC(C1)OCC=O)C 41253026b3dc5921fe2f1310b80e3443 [0,1,0,1,0,0|1,0,1]=4 958 B12R1.100 CC1CC(CC(C1)OCCF)C 16418da1bb3e96b9e9826ba621c9c587 [0,1,0,1,0,0|1,0,0]=3 959 B12R1.100 CC1CC(CC(C1)OCCS)C ab79a6b804d041b79585f4fa4233e1e0 [0,1,0,1,0,0|1,0,0]=3 960 B12R1.100 CC1CC(CC(O1)C)OCCF 55f66c0d46901a3140fe189e53de6fbd [0,1,0,1,0,0|2,0,0]=4 961 B12R1.100 CC1CC(CC(O1)C)OCCS f05c51214a54bb5c46d860d5294a3205 [0,1,0,1,0,0|2,0,0]=4 962 B12R1.100 CCCOC1C=C(CC(C1)C)C 3ea7d5b456ccd8129117321a793345e2 [0,1,0,1,0,0|1,0,1]=4 963 B12R1.100 CCCOC1CC(CC(C1)C)C d9ac85435c66fe36a26f93ca676f3f6c [0,1,0,1,0,0|1,0,0]=3 964 B12R1.100 CCCOC1CC(OC(C1)C)C d4e3a0873af23da6b2cc1f74b2193bac [0,1,0,1,0,0|2,0,0]=4 965 B12R1.100 CCCOC1C[C@H](O[C@H](C1)C)C bdeced56ff5bb2aa92cf533c765c2710 [0,1,0,1,0,0|2,0,0]=4 966 B12R1.100 CCCO[C@@H]1C[C@@H](C[C@@H](C1)C)C 687b8994d7d1cc29773f66d3ed1a21c6 [0,1,0,1,0,0|1,0,0]=3 967 B12R1.100 CCCO[C@@H]1C[C@H](O[C@H](C1)C)C 52166d0b6443947024ac0eaf8fde8904 [0,1,0,1,0,0|2,0,0]=4 968 B12R1.100 CCCO[C@H]1C[C@H](O[C@H](C1)C)C 7040895ac859f64dadd5e088cdc6e018 [0,1,0,1,0,0|2,0,0]=4 969 B12R1.100 CCOCC1CC(CC(C1)C)C a113fb9f8063ae3990a2b8199745c3df [0,1,0,1,0,0|1,0,0]=3 970 B12R1.100 CCOCC1CC(OC(C1)C)C c2b599c1916f5bd896a89a6a0caf7e53 [0,1,0,1,0,0|2,0,0]=4 971 B12R1.100 CCOCN1CC(CC(C1)C)C f8d865ba520ce47c72d5419ac2f51b83 [0,1,0,1,0,0|2,0,0]=4 972 B12R1.100 CCOCN1C[C@@H](C[C@@H](C1)C)C ae41d8fa9a553934ec45f2e1f29424ff [0,1,0,1,0,0|2,0,0]=4 973 B12R1.100 COCOC1C=C(CC(C1)C)C f6625890cbfc92d94a663d20ba9a6333 [0,1,0,1,0,0|1,0,1]=4 974 B12R1.100 COCOC1CC(CC(C1)C)C 005f6ce326fd885ac9615b3cfee219b9 [0,1,0,1,0,0|1,0,0]=3 975 B12R1.100 COCOC1CC(OC(C1)C)C 474ec71e9e80615402cd7f2d196f6276 [0,1,0,1,0,0|2,0,0]=4 976 B12R1.100 COCOC1C[C@H](O[C@H](C1)C)C 48796e9e4171c846ac30d9676788a8d8 [0,1,0,1,0,0|2,0,0]=4 977 B12R1.100 COCO[C@@H]1C[C@@H](C[C@@H](C1)C)C 61cce6377d80804d922b943637b06310 [0,1,0,1,0,0|1,0,0]=3 978 B12R1.100 COCO[C@@H]1C[C@H](O[C@H](C1)C)C c512916199e96e11f86a143ed45f4834 [0,1,0,1,0,0|2,0,0]=4 979 B12R1.100 COCO[C@H]1C[C@H](O[C@H](C1)C)C 2b29a6e5b97425672d10a3c4d9deed65 [0,1,0,1,0,0|2,0,0]=4 980 B12R1.100 CSCOC1C=C(CC(C1)C)C f85f2c8907054cae6c607535dd3ed31a [0,1,0,1,0,0|1,0,1]=4 981 B12R1.100 CSCOC1CC(CC(C1)C)C beb4c6193b368faaf50c88b47c27bcd8 [0,1,0,1,0,0|1,0,0]=3 982 B12R1.100 CSCOC1CC(OC(C1)C)C 77381a1102105abf8ac20a2db5213bab [0,1,0,1,0,0|2,0,0]=4 983 B12R1.100 CSCOC1C[C@H](O[C@H](C1)C)C 3d1a1518a5b724dbac00af36d70bb5e1 [0,1,0,1,0,0|2,0,0]=4 984 B12R1.100 CSCO[C@@H]1C[C@@H](C[C@@H](C1)C)C 8f4907db91bd452784b8b329e640e957 [0,1,0,1,0,0|1,0,0]=3 985 B12R1.100 CSCO[C@@H]1C[C@H](O[C@H](C1)C)C 1c8e02c90a3d90f01aa0b1d5b563d2e5 [0,1,0,1,0,0|2,0,0]=4 986 B12R1.100 CSCO[C@H]1C[C@H](O[C@H](C1)C)C 73a84147c9b36147e92e5079fe1e4c1b [0,1,0,1,0,0|2,0,0]=4 987 B12R1.100 C[C@@H]1CC(C[C@@H](O1)C)OCCF 59593b16000a87389e931afab47d05e5 [0,1,0,1,0,0|2,0,0]=4 988 B12R1.100 C[C@@H]1CC(C[C@@H](O1)C)OCCS 31f7672a3975f1c405706051bf69cbb8 [0,1,0,1,0,0|2,0,0]=4 989 B12R1.100 C[C@@H]1C[C@@H](C[C@@H](C1)OCC#N)C 89e82866cfde3e9c4ca9f340213e78eb [0,1,0,1,0,0|1,0,1]=4 990 B12R1.100 C[C@@H]1C[C@@H](C[C@@H](C1)OCC=O)C cd59d715064ff96f8c94df0bd0f2b861 [0,1,0,1,0,0|1,0,1]=4 991 B12R1.100 C[C@@H]1C[C@@H](C[C@@H](C1)OCCF)C d7490997c943577e40c8777f9a709856 [0,1,0,1,0,0|1,0,0]=3 992 B12R1.100 C[C@@H]1C[C@@H](C[C@@H](C1)OCCS)C b2c386590eb0ca3b4e2039f607003484 [0,1,0,1,0,0|1,0,0]=3 993 B12R1.100 C[C@@H]1C[C@@H](C[C@@H](O1)C)OCCF 9212dd5b92b0bea209f23d1e3f71a0b7 [0,1,0,1,0,0|2,0,0]=4 994 B12R1.100 C[C@@H]1C[C@@H](C[C@@H](O1)C)OCCS e8574ca0f718041213c66f2a64fc9207 [0,1,0,1,0,0|2,0,0]=4 995 B12R1.100 C[C@@H]1C[C@H](C[C@@H](O1)C)OCCF 612722763b5773486154f3e6777afaf5 [0,1,0,1,0,0|2,0,0]=4 996 B12R1.100 C[C@@H]1C[C@H](C[C@@H](O1)C)OCCS 62602535f9f957c7cacd9e3cfd9cb074 [0,1,0,1,0,0|2,0,0]=4 997 B12R1.283 CC(C)C1CCCCC1OCF 29aa1db01df4b0b5ed713a191469158a [0,1,0,1,0,0|2,0,0]=4 998 B12R1.283 CCCC1COCCN1C(C)C 939a2d08fb00f40df2fb6634947d77af [0,1,0,1,0,0|2,0,0]=4 999 B12R1.283 CCOC1CCCCC1C(C)C 3a59cb196f896af9454138e3c3a07ffd [0,1,0,1,0,0|1,0,0]=3 1000 B12R1.283 CCOC1CCCCC1N(C)C 4c9264c119a71a6205f3e565d5b5c667 [0,1,0,1,0,0|2,0,0]=4 1001 B12R1.283 CCO[C@@H]1CCCC[C@@H]1N(C)C 3856a4818ba945edd624d715398aab00 [0,1,0,1,0,0|2,0,0]=4 1002 B12R1.283 CCO[C@@H]1CCCC[C@H]1N(C)C 2287e0231ec6a5708695dafa0f751096 [0,1,0,1,0,0|2,0,0]=4 1003 B12R1.283 CCO[C@H]1CCCC[C@H]1N(C)C 5ea980fa96fee10b1a8d264f2700d34a [0,1,0,1,0,0|2,0,0]=4 1004 B12R1.386 C#CCOC1CCCC1C(C)C dd541828a4afaf5db948869a755a08bd [0,1,0,1,0,0|1,0,1]=4 1005 B12R1.386 C=CCOC1CCCC1C(C)C 60e985c6655acc809aab711408d5b56f [0,1,0,1,0,0|1,0,1]=4 1006 B12R1.386 CC(C)C1CCCC1OCC#N 56cc46f6489045c1496511e8d00d84f4 [0,1,0,1,0,0|1,0,1]=4 1007 B12R1.386 CC(C)C1CCCC1OCC=O a278c68cf400909cf16756242f4ee45a [0,1,0,1,0,0|1,0,1]=4 1008 B12R1.386 CC(C)C1CCCC1OCCF 1dc1c93eaf43f1afc754adfbd4f95b63 [0,1,0,1,0,0|1,0,0]=3 1009 B12R1.386 CC(C)C1CCCC1OCCS 72345d2b498dd12f3ed703eddc48f45f [0,1,0,1,0,0|1,0,0]=3 1010 B12R1.386 CCCOC1CCCC1C(C)C 9cc378b24572566613f235ff847a11a9 [0,1,0,1,0,0|1,0,0]=3 1011 B12R1.386 CCCOC1CCCC1N(C)C 2a6b58d7e4ad70effabb568a10708e32 [0,1,0,1,0,0|2,0,0]=4 1012 B12R1.386 CCCO[C@@H]1CCC[C@H]1N(C)C bc05f19f74e1fb70cb40ba6dbeb8d0ea [0,1,0,1,0,0|2,0,0]=4 1013 B12R1.386 CCOCC1CCCN1C(C)C 3e59dc1146d45a755cd403df233188f3 [0,1,0,1,0,0|2,0,0]=4 1014 B12R1.386 CCOCN1CCCC1C(C)C e5f229e3b5f0dc970dca730d8f007e80 [0,1,0,1,0,0|2,0,0]=4 1015 B12R1.386 CCOCN1CCC[C@H]1C(C)C 5194992e24c8404ddb57eda7266507ab [0,1,0,1,0,0|2,0,0]=4 1016 B12R1.386 CCOC[C@@H]1CCCN1C(C)C 48fea9a003713a7e05b1bb4465821bad [0,1,0,1,0,0|2,0,0]=4 1017 B12R1.386 CCOC[C@H]1CCCN1C(C)C 7f8d54ca1c40785fc635964baef9837a [0,1,0,1,0,0|2,0,0]=4 1018 B12R1.386 CN(C)C1CCCC1OCCF d38fd0faa8ac599734b2164b28f9cb6a [0,1,0,1,0,0|2,0,0]=4 1019 B12R1.386 CN(C)C1CCCC1OCCS 098a40164d94e872a1d4b12b7fc02232 [0,1,0,1,0,0|2,0,0]=4 1020 B12R1.386 CN(C)[C@@H]1CCC[C@H]1OCCF dadd03fc16b6ad66d064ff050fd24566 [0,1,0,1,0,0|2,0,0]=4 1021 B12R1.386 CN(C)[C@@H]1CCC[C@H]1OCCS 2819f67347a9c0c7fa1d57332247d062 [0,1,0,1,0,0|2,0,0]=4 1022 B12R1.386 COCOC1CCCC1C(C)C 52a4a68550469d36f0d909b82ed2df87 [0,1,0,1,0,0|1,0,0]=3 1023 B12R1.386 COCOC1CCCC1N(C)C 65498504e6c1128ea6f4f4a0d32daaf6 [0,1,0,1,0,0|2,0,0]=4 1024 B12R1.386 COCO[C@@H]1CCC[C@H]1N(C)C 60c780189be5de3c002335bf1f5fd6ef [0,1,0,1,0,0|2,0,0]=4 1025 B12R1.386 CSCOC1CCCC1C(C)C 952ad30a07c5adcf727a5ec5f28bb867 [0,1,0,1,0,0|1,0,0]=3 1026 B12R1.386 CSCOC1CCCC1N(C)C b5a59355b3ba3d9d54a48de5fa31a689 [0,1,0,1,0,0|2,0,0]=4 1027 B12R1.386 CSCO[C@@H]1CCC[C@H]1N(C)C e93bb082f539c956dcded07c8e4fa479 [0,1,0,1,0,0|2,0,0]=4 1028 B12R1.438 CC(C)CC1CN(CCO1)CF d417fc647c0b3b14522403c446898d88 [0,1,0,1,0,0|2,0,0]=4 1029 B12R1.438 CC(C)CC1CN(CCO1)CO 18950f9fc689ae5a8c880a0d3161c0aa [0,1,0,1,0,0|2,0,0]=4 1030 B12R1.438 CCN1CCOC(C1)CC(C)C 823cbb36aac8b64d6112ec8a75de5dd1 [0,1,0,1,0,0|1,0,0]=3 1031 B12R1.438 CCN1CCOC(C1)CN(C)C 3986d0b33dbf4bcb41eecf90f097d322 [0,1,0,1,0,0|2,0,0]=4 1032 B12R1.438 CCN1CCO[C@H](C1)CN(C)C 25a2d8ac413a65c98c6fe7dc68c98789 [0,1,0,1,0,0|2,0,0]=4 1033 B12R1.545 CCOC1CCC(=O)C(C1)(C)C 1d2d32ec4476438d6508bbd96849bdd5 [0,1,0,1,0,0|1,0,1]=4 1034 B12R1.887 C#CCOC1CCCC(C1)(C)C 873d5ffbdf2c614aced273915b09e2d4 [0,1,0,1,0,0|1,0,1]=4 1035 B12R1.887 C=CCOC1CCCC(C1)(C)C 3b142ab7fc0a6125af9c359097410f22 [0,1,0,1,0,0|1,0,1]=4 1036 B12R1.887 CC1(CC(CCO1)OCCF)C c4eeec9897e594276b1677a01e2be284 [0,1,0,1,0,0|2,0,0]=4 1037 B12R1.887 CC1(CC(CCO1)OCCS)C 18d811e1d0631323115f49db359ca212 [0,1,0,1,0,0|2,0,0]=4 1038 B12R1.887 CC1(CCCC(C1)NCCF)C a7ac41d66f0222734a0c2b2427131f19 [0,1,0,1,0,0|2,0,0]=4 1039 B12R1.887 CC1(CCCC(C1)NCCO)C fc5232644ef583324f803dde53623653 [0,1,0,1,0,0|2,0,0]=4 1040 B12R1.887 CC1(CCCC(C1)NCCS)C 08be385c6949de05a6a200f3d7371e40 [0,1,0,1,0,0|2,0,0]=4 1041 B12R1.887 CC1(CCCC(C1)OCC#N)C c28c8f66ab1d1f7df2ffd504ba904452 [0,1,0,1,0,0|1,0,1]=4 1042 B12R1.887 CC1(CCCC(C1)OCC=O)C 71cb8c4cecc36579c1a585c0cf12846e [0,1,0,1,0,0|1,0,1]=4 1043 B12R1.887 CC1(CCCC(C1)OCCF)C 447d2587f57466d6d58ce02c571a0d4e [0,1,0,1,0,0|1,0,0]=3 1044 B12R1.887 CC1(CCCC(C1)OCCS)C 673528c515ad1265cf01a7f7f3741111 [0,1,0,1,0,0|1,0,0]=3 1045 B12R1.887 CC1(CCC[C@@H](C1)NCCF)C aa3518ea649d75bbb5a97baa069fd06f [0,1,0,1,0,0|2,0,0]=4 1046 B12R1.887 CC1(CCC[C@@H](C1)NCCO)C 3d264a9470b1d6d9299622326d7c5ea5 [0,1,0,1,0,0|2,0,0]=4 1047 B12R1.887 CC1(CCC[C@@H](C1)NCCS)C d2d62b3c4a611ca585bb94f2f5d038e9 [0,1,0,1,0,0|2,0,0]=4 1048 B12R1.887 CC1(CCC[C@H](C1)NCCF)C eff6ee2933fe2855758d315ac69d9424 [0,1,0,1,0,0|2,0,0]=4 1049 B12R1.887 CC1(CCC[C@H](C1)NCCO)C 4c2a29500f6c66da9a9912fe5a889344 [0,1,0,1,0,0|2,0,0]=4 1050 B12R1.887 CC1(CCC[C@H](C1)NCCS)C ef03267ccf473ad1f723ea68a88737df [0,1,0,1,0,0|2,0,0]=4 1051 B12R1.887 CC1(C[C@@H](CCO1)OCCF)C aab06f737ef92a9c11909ae59db1d200 [0,1,0,1,0,0|2,0,0]=4 1052 B12R1.887 CC1(C[C@@H](CCO1)OCCS)C 716a25ff8cb9d06781d44ca63c8b1973 [0,1,0,1,0,0|2,0,0]=4 1053 B12R1.887 CCCNC1CCCC(C1)(C)C 9b49c6755775027b4132ccb2ecff95da [0,1,0,1,0,0|2,0,0]=4 1054 B12R1.887 CCCN[C@@H]1CCCC(C1)(C)C 103080fada8e8469ad19bd6021dfa13f [0,1,0,1,0,0|2,0,0]=4 1055 B12R1.887 CCCN[C@H]1CCCC(C1)(C)C 6afc7264c45b19c399592e86dfd41d5f [0,1,0,1,0,0|2,0,0]=4 1056 B12R1.887 CCCOC1CCOC(C1)(C)C 8a0c91f27fe1fc53a89fde348cc52585 [0,1,0,1,0,0|2,0,0]=4 1057 B12R1.887 CCCO[C@@H]1CCOC(C1)(C)C fd176bda7a442320822ef9ca361b23b8 [0,1,0,1,0,0|2,0,0]=4 1058 B12R1.887 CCOCC1CCCC(O1)(C)C 7079587f31063e58c61fd69dbd7615e9 [0,1,0,1,0,0|2,0,0]=4 1059 B12R1.887 CCOCC1CCOC(C1)(C)C 62489b9005afec0fa73254aeca9c8b4d [0,1,0,1,0,0|2,0,0]=4 1060 B12R1.887 CCOCN1CCCC(C1)(C)C 039c4c67477289a489495e0db628a242 [0,1,0,1,0,0|2,0,0]=4 1061 B12R1.887 COCNC1CCCC(C1)(C)C f00e6eff3bf4a0f0ac1064b7b121fed6 [0,1,0,1,0,0|2,0,0]=4 1062 B12R1.887 COCN[C@@H]1CCCC(C1)(C)C 74a21b69b6a6f5336eaf5687143bf022 [0,1,0,1,0,0|2,0,0]=4 1063 B12R1.887 COCN[C@H]1CCCC(C1)(C)C f7a4ef65ea33ccb3bac2963037968b0d [0,1,0,1,0,0|2,0,0]=4 1064 B12R1.887 COCOC1CCOC(C1)(C)C 869eb26bbffc29560a23980cb0f52162 [0,1,0,1,0,0|2,0,0]=4 1065 B12R1.887 COCO[C@@H]1CCOC(C1)(C)C 58a060c0cc51c68b423da89b03041558 [0,1,0,1,0,0|2,0,0]=4 1066 B12R1.887 CSCNC1CCCC(C1)(C)C b1a801a7a78ab2d4ccf4076790d5377f [0,1,0,1,0,0|2,0,0]=4 1067 B12R1.887 CSCN[C@@H]1CCCC(C1)(C)C 65162f8b513ac677eab47beae288354a [0,1,0,1,0,0|2,0,0]=4 1068 B12R1.887 CSCN[C@H]1CCCC(C1)(C)C a2582d9ead0f78575ba12995aac45ff3 [0,1,0,1,0,0|2,0,0]=4 1069 B12R1.887 CSCOC1CCOC(C1)(C)C e5d9b899727da5b9c2c3b22ef8c1f8de [0,1,0,1,0,0|2,0,0]=4 1070 B12R1.887 CSCO[C@@H]1CCOC(C1)(C)C a1fd5c6b1ae9b50bef37d2f50b353262 [0,1,0,1,0,0|2,0,0]=4 1071 B12R1.928 CCCN(COCC)CC1CC1 3778b0555e2ecdfea5bb520b615f38c7 [0,1,0,1,0,0|2,0,0]=4 1072 B12R1.933 CCOCN(CC(C)C)C1CC1 07e1498aeb8fa99b4f83e7ac2229fc38 [0,1,0,1,0,0|2,0,0]=4 1073 B12R1.1774 CC(C)CC1(CCC1)COCF 6a63bf24819e4c2ca66b41ea3c13675b [0,1,0,1,0,0|2,0,0]=4 1074 B12R1.1774 CCNCC1(CCC1)CC(C)C 176f6a023a9e97d4e0dd432bf423deff [0,1,0,1,0,0|2,0,0]=4 1075 B12R1.1774 CCOCC1(CCC1)CC(C)C 82a2259b46f513a83b5bbd071e356fe0 [0,1,0,1,0,0|1,0,0]=3 1076 B12R1.1774 CCOCC1(CCC1)CN(C)C 2ef9b4ccaaa87eb60eede79f72931051 [0,1,0,1,0,0|2,0,0]=4 1077 B12R1.1444 CCNC1CCCCC(C1)OC d10151cb114c14c9daf3a63f25347ae3 [0,1,0,1,0,0|2,0,0]=4 1078 B12R1.1510 CCOC(CN1CCC1)OCC 5688769d3c11ec05c6bb77000c66923a [0,1,0,1,0,0|1,0,0]=3 1079 B12R1.2228 CCN[C@@H]1CCC[C@](C1)(C)OC d7a2cd8dc616d672a954f618061517f9 [0,1,0,1,0,0|2,0,0]=4 1080 B12R1.2228 CCN[C@H]1CCC[C@@](C1)(C)OC ced943390d9fa64e84920e0d860a5901 [0,1,0,1,0,0|2,0,0]=4 1081 B12R2.40 CCOC1CC2CCC(C1)O2 91051f4965ad1995cda7919408ede464 [0,0,0,2,0,0|2,0,0]=4 1082 B12R2.40 CCOC1C[C@H]2CC[C@@H](C1)O2 72f07445786e75d3ff225cce7956f342 [0,0,0,2,0,0|2,0,0]=4 1083 B12R2.40 CCO[C@@H]1C[C@H]2CC[C@@H](C1)O2 97b0429c594c01b031038f170f06d81f [0,0,0,2,0,0|2,0,0]=4 1084 B12R2.40 CCO[C@H]1C[C@H]2CC[C@@H](C1)O2 d4d787ff402f038ed685d9f9d59d93e6 [0,0,0,2,0,0|2,0,0]=4 1085 B12R2.3310 CCOC1CCOC2(C1)CC2 190d85b59f0644ddcea1182bf2593e79 [0,0,0,2,0,0|2,0,0]=4 1086 B8R0.15 C#CC(OCC)C(C)C 6a8af3f4cdd0bc066a863986d074c26b [1,0,0,0,1,0|0,0,2]=4 1087 B8R0.15 C=CC(OCC)C(C)C 27434b9578280007aa064ab6388289aa [1,0,0,0,1,0|0,0,2]=4 1088 B8R0.15 CCC(NCF)C(C)C 9eff5f9660820f9c877d3a3472e4639b [1,0,0,0,1,0|2,0,0]=4 1089 B8R0.15 CCC(NCO)C(C)C 39ba9a4710beec3811b0b3d81003bc42 [1,0,0,0,1,0|2,0,0]=4 1090 B8R0.15 CCC(OCF)C(C)C 00571321126fa738b7f56d2abdd5da87 [1,0,0,0,1,0|1,0,0]=3 1091 B8R0.15 CCCN(CC)C(C)C 1c89cff2caba49a0d6b54ccb28d3894d [1,0,0,0,1,0|2,0,0]=4 1092 B8R0.15 CCNC(CC)C(C)C f4db5a514b7a19e99d5d676c90be24b4 [1,0,0,0,1,0|1,0,0]=3 1093 B8R0.15 CCNC(CO)C(C)C a20bb1d195ffef6f110d61f40dff75dd [1,0,0,0,1,0|2,0,0]=4 1094 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 9437a38f8b758cb0a592817dd3b24faf [1,0,0,0,1,0|2,0,0]=4 1095 B8R0.15 CCN[C@@H](CO)C(C)C ce7761cdb6cf52ca9ed9a6d5f228dd14 [1,0,0,0,1,0|2,0,0]=4 1096 B8R0.15 CCN[C@H](CC)[C@@H](C)O 43ee27f39678641d94beb29c7dca4d14 [1,0,0,0,1,0|2,0,0]=4 1097 B8R0.15 CCN[C@H](CC)[C@H](C)O 642a6caece15e7ad19edf53bc1e5c46e [1,0,0,0,1,0|2,0,0]=4 1098 B8R0.15 CCN[C@H](CO)C(C)C 25b3d22a77656145ec4fbc4cf7315048 [1,0,0,0,1,0|2,0,0]=4 1099 B8R0.15 CCOC(C#N)C(C)C a046b093d6b831211c4840ca5f8a2d99 [1,0,0,0,1,0|1,0,1]=4 1100 B8R0.15 CCOC(CC)C(C)C 18c5bc69d3aa8233a4f89cf882d20a96 [1,0,0,0,1,0|0,0,0]=2 1101 B10R0.27 CCC(COC)NCC(C)C c7e3e2e8f338bd7f2cdfb2c1c9079ea4 [1,0,0,0,0,1|2,0,0]=4 1102 B10R0.27 CCC(COC)OCC(C)C ac8eac27c6ca814fdaac45834a7fd593 [1,0,0,0,0,1|2,0,0]=4 1103 B10R0.27 CCC(CSC)OCC(C)C e19a41bf3bf5291e4426a7e5f5ce069c [1,0,0,0,0,1|2,0,0]=4 1104 B10R0.27 CCCC(CC)COC(C)C 54242efc74b40f89f9d5bcf3d2627983 [1,0,0,0,0,1|1,0,0]=3 1105 B10R0.27 CCCC(CC)NCC(C)C bac9e6c85b3204007a37ba115fbf5f50 [1,0,0,0,0,1|1,0,0]=3 1106 B10R0.27 CCCC(CC)NCC(C)O 9b53d82f1d03521def4ad1d62284bf87 [1,0,0,0,0,1|2,0,0]=4 1107 B10R0.27 CCCC(CC)NC[C@@H](C)O 0f5bbc32f16168ccde116f0f50575d65 [1,0,0,0,0,1|2,0,0]=4 1108 B10R0.27 CCCC(CC)NC[C@H](C)O 82f53f0bb71756df78177ae9530e3e5a [1,0,0,0,0,1|2,0,0]=4 1109 B10R0.27 CCCC(CC)OCC(C)C 4bfc2771f8984c92e43cb341a142ffd4 [1,0,0,0,0,1|1,0,0]=3 1110 B10R0.27 CCCC(CC)OCC(C)F 6547cfbd3fcff388885e9e082a806faa [1,0,0,0,0,1|2,0,0]=4 1111 B10R0.27 CCCC(CC)OCC(C)S 71f7512ac450973c528d0ff271ee9102 [1,0,0,0,0,1|2,0,0]=4 1112 B10R0.27 CCCC(CC)OCN(C)C ff0d561821555069f321c16e8d5f2e88 [1,0,0,0,0,1|2,0,0]=4 1113 B10R0.27 CCCC(CC)OC[C@@H](C)F 72df4480f0fe6867da9a9e147135cd01 [1,0,0,0,0,1|2,0,0]=4 1114 B10R0.27 CCCC(CC)OC[C@H](C)F 0eda70d997a7820a358be11a9d5d14ae [1,0,0,0,0,1|2,0,0]=4 1115 B10R0.27 CCCC(CO)NCC(C)C f4b899145616d032c797fd17172e275c [1,0,0,0,0,1|2,0,0]=4 1116 B10R0.27 CCCN(CC)CCC(C)C 66d6a63681f2ee00e899d0b208cece44 [1,0,0,0,0,1|2,0,0]=4 1117 B10R0.27 CCCN(CC)COC(C)C f994b957b51ac5170951bf54135ad7df [1,0,0,0,0,1|2,0,0]=4 1118 B10R0.27 CCC[C@@H](CC)OCC(C)C 790644aa61d9a5d25cbfcc155ca98d55 [1,0,0,0,0,1|1,0,0]=3 1119 B10R0.27 CCC[C@@H](CC)OCN(C)C dbd69fea9946c402c6b5afd7edab4f0d [1,0,0,0,0,1|2,0,0]=4 1120 B10R0.27 CCC[C@@H](CO)NCC(C)C 7828d85c0c48cd34e96a6cbeddebf9e2 [1,0,0,0,0,1|2,0,0]=4 1121 B10R0.27 CCC[C@H](CO)NCC(C)C 2216df3bee23ba15f849cb362e757821 [1,0,0,0,0,1|2,0,0]=4 1122 B10R0.27 CCOC(CC)COC(C)C 3f85bde566cc9b2c7d553db438d17c76 [1,0,0,0,0,1|0,0,0]=2 1123 B12R0.164 C=C(C)CNCC(OCC)OCC b8c4588a2a967a604db91b794d0a58a7 [0,0,0,0,0,2|0,0,2]=4 1124 B12R0.164 C=C(C)COCC(OCC)OCC a9ee2e8a6fadb520c70736be9470f195 [0,0,0,0,0,2|0,0,2]=4 1125 B12R0.164 CCCC(CCC)CNCC(C)C 8ba56495f161d3896c290b7f92b4e7bf [0,0,0,0,0,2|2,0,0]=4 1126 B12R0.164 CCCC(CCC)COCC(C)C 0008f47cf5ffdf17a5754d1ddca57874 [0,0,0,0,0,2|2,0,0]=4 1127 B12R0.164 CCCC(CCC)NCCC(C)C ea5ca631341970635131edd06617cd05 [0,0,0,0,0,2|2,0,0]=4 1128 B12R0.164 CCCC(CCC)NCOC(C)C 0fe10ec42a92d27e4f656cb504ac7d3e [0,0,0,0,0,2|2,0,0]=4 1129 B12R0.164 CCCC(CCC)OCCC(C)C d036fc005d949d1048fdac7700007b06 [0,0,0,0,0,2|2,0,0]=4 1130 B12R0.164 CCCC(CCC)OCOC(C)C 10b0e93771b8b6ed0aa36f1741c98ae3 [0,0,0,0,0,2|2,0,0]=4 1131 B12R0.164 CCOC(CCNC(=O)C)OCC ed8f6aadaa7f59d153b846ba352d1f81 [0,0,0,0,0,2|1,0,1]=4 1132 B12R0.164 CCOC(CCNC(C)C)OCC 84d9f09ca7405b58be3c5276744d0087 [0,0,0,0,0,2|0,0,0]=2 1133 B12R0.164 CCOC(CCOC(C)C)OCC 8648bda03dfa6c8cf4a4fe24f2c798b1 [0,0,0,0,0,2|0,0,0]=2 1134 B12R0.164 CCOC(CNCC(=O)C)OCC b38c63a4de647234befcd9f3403db6ad [0,0,0,0,0,2|1,0,1]=4 1135 B12R0.164 CCOC(CNCC(C)C)OCC 41711a9855e77c6a637ec23dfb808c28 [0,0,0,0,0,2|0,0,0]=2 1136 B12R0.164 CCOC(CNCC(C)O)OCC 7760c4b4c4309b9e1a0b0df401292f77 [0,0,0,0,0,2|1,0,0]=3 1137 B12R0.164 CCOC(CNCC(F)F)OCC 69e7f0c2128f24c9e964ec6de0e8f666 [0,0,0,0,0,2|2,0,0]=4 1138 B12R0.164 CCOC(CNCN(C)C)OCC dab6d46a525180425aab775752ac3bbc [0,0,0,0,0,2|1,0,0]=3 1139 B12R0.164 CCOC(CNC[C@@H](C)O)OCC 783fcf1aeb7a073e099c2f97cc988392 [0,0,0,0,0,2|1,0,0]=3 1140 B12R0.164 CCOC(CNC[C@H](C)O)OCC 1edf821e4b0e3f9da8620e5aac3c4f5d [0,0,0,0,0,2|1,0,0]=3 1141 B12R0.164 CCOC(COCC(=O)C)OCC acc2b5831e3dab77ba76199a571d1a99 [0,0,0,0,0,2|1,0,1]=4 1142 B12R0.164 CCOC(COCC(C)C)OCC 9530df6f5507c7c5eddcd5a3615cad29 [0,0,0,0,0,2|0,0,0]=2 1143 B12R0.164 CCOC(COCC(C)F)OCC 41bb1878cc5409ca602c417e67a262de [0,0,0,0,0,2|1,0,0]=3 1144 B12R0.164 CCOC(COCC(C)S)OCC 005759afc0eded35cc04a099309ee45f [0,0,0,0,0,2|1,0,0]=3 1145 B12R0.164 CCOC(COCC(F)F)OCC 48b13e8bd5a5c93f5588974a8f2780ea [0,0,0,0,0,2|2,0,0]=4 1146 B12R0.164 CCOC(COCN(C)C)OCC 14de0aba65aae67215e1bb17fd73da64 [0,0,0,0,0,2|1,0,0]=3 1147 B12R0.164 CCOC(COC[C@@H](C)F)OCC 1235db0d9a719d3ec0a83adf14469341 [0,0,0,0,0,2|1,0,0]=3 1148 B12R0.164 CCOC(COC[C@H](C)F)OCC cd1b9407bbc05214e7db2f4acfbdade2 [0,0,0,0,0,2|1,0,0]=3