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df628b2fb59d020a233c7468342e16c7 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.1 C#C[C@@H](C)NC=O 4fee702505a1fdefb270b5b6e9eb7aa3 [0,1,0,0,0,0|0,0,2]=3 15 B6R0.1 C#C[C@@H](C)NCC 500769c3a32c8a4fe4bacf70b2bb6f30 [0,1,0,0,0,0|1,0,1]=3 16 B6R0.1 C#C[C@@H](C)NCF d903cf47df658ea1d98269383cb3d315 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.1 C#C[C@@H](C)NCO 126db25e0e4cf6691fb1b82389d3a95e [0,1,0,0,0,0|2,0,1]=4 18 B6R0.1 C#C[C@@H](C)OCC c7465ab1da07bbdf42877ee57642c1cd [0,1,0,0,0,0|1,0,1]=3 19 B6R0.1 C#C[C@@H](C)OCF 84c9a69113565387c92718924a808d76 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.1 C#C[C@H](C)NC=O 55f7e717dc246fc1c154a9332387447d [0,1,0,0,0,0|0,0,2]=3 21 B6R0.1 C#C[C@H](C)NCC 996961b9a4ddcbb2cfb9dcd81ac9d63f [0,1,0,0,0,0|1,0,1]=3 22 B6R0.1 C#C[C@H](C)NCF f03102ed4263cb5dbc188dbc384a5e8f [0,1,0,0,0,0|2,0,1]=4 23 B6R0.1 C#C[C@H](C)NCO debd11bbb9ca9c2de8c9f91e833e2b10 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.1 C#C[C@H](C)OCC e1b8dec53e104261dd95078ad7e6d539 [0,1,0,0,0,0|1,0,1]=3 25 B6R0.1 C#C[C@H](C)OCF 8667845c9da8dd8e24b1d3a8f6a93aa8 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,1,0,0,0,0|0,0,2]=3 27 B6R0.1 C=C(C=O)OCF d1643e67cfe1838c4e32b694bc3648e2 [0,1,0,0,0,0|1,0,2]=4 28 B6R0.1 C=CC(C)NC#N 2a7109b4baa8d6cba377db19db0fc72f [0,1,0,0,0,0|2,0,1]=4 29 B6R0.1 C=CC(C)NC=O ea3bd8a0f1437d84f5ea96318c16e9bd [0,1,0,0,0,0|0,0,2]=3 30 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [0,1,0,0,0,0|1,0,0]=2 31 B6R0.1 C=CC(C)NCF fcb68bb0ad98322ede2090ffb8982d5c [0,1,0,0,0,0|2,0,0]=3 32 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [0,1,0,0,0,0|1,0,0]=2 34 B6R0.1 C=CC(C)OCF 703d6773683044b537087d8c1dd5b1e2 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.1 C=CCN(C)C=O 45f12923080415e1dfc85b1fcae28d16 [0,1,0,0,0,0|1,0,1]=3 36 B6R0.1 C=CCN(C)CC 66590de6b708bb2b2b2945a656dd0b8f [0,1,0,0,0,0|2,0,0]=3 37 B6R0.1 C=CCN(C)CF 7e02e3a96da7141f47b832fca75c32a8 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.1 C=CCN(C)CO e638b434bf874996eb81f2689695f38f [0,1,0,0,0,0|3,0,0]=4 39 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [0,1,0,0,0,0|1,0,0]=2 40 B6R0.1 C=C[C@H](C)OCF c364441950765d3e5b6d38d7dfe0e6ea [0,1,0,0,0,0|2,0,0]=3 41 B6R0.1 CC(C#N)NC=O bab971dbe2c7155864d30c197f73349b [0,1,0,0,0,0|1,0,1]=3 42 B6R0.1 CC(C#N)NCF b8014a86217c2b8a6f13da005da0a028 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.1 CC(C#N)NCO b7d0900ad4a8bef1fe42d0e02db02103 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.1 CC(C=O)NC#N 4334a96823d7b333d7c55841b70479fe [0,1,0,0,0,0|1,0,1]=3 45 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [0,1,0,0,0,0|1,0,0]=2 46 B6R0.1 CC(CF)OCF 32adde0cda0df7ca13f616d81360f718 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.1 CC(CO)NC#N b6bfa3976d2a6a9619606ed55bd1d96b [0,1,0,0,0,0|2,0,1]=4 48 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [0,1,0,0,0,0|1,0,0]=2 49 B6R0.1 CC(CO)NCF ab7f612930dc9a706824818dda371d27 [0,1,0,0,0,0|1,0,2]=4 50 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [0,1,0,0,0,0|1,0,2]=4 51 B6R0.1 CC(CS)OCF 3aa76e588b94fa8c0abffd230ad3c80a [0,1,0,0,0,0|1,1,1]=4 52 B6R0.1 CCC(C)NC#N c755bc17a86225b89fbcb7b323cbfbb8 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [0,1,0,0,0,0|0,0,0]=1 54 B6R0.1 CCC(C)NCF cd789606d14d277b4095dc11d6d1f629 [0,1,0,0,0,0|1,0,1]=3 55 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [0,1,0,0,0,0|0,0,2]=3 56 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [0,1,0,0,0,0|1,0,1]=3 57 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,1,0,0,0,0|1,0,0]=2 58 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [0,1,0,0,0,0|2,0,1]=4 59 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [0,1,0,0,0,0|1,0,2]=4 61 B6R0.1 CCN(C)CC#N 2853a7af5707f71aff1eef2c0f44a019 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [0,1,0,0,0,0|1,0,0]=2 63 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [0,1,0,0,0,0|2,0,1]=4 64 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [0,1,0,0,0,0|1,0,2]=4 65 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [0,1,0,0,0,0|1,1,1]=4 66 B6R0.1 CCN(C)COC 2dba1e0fec030895fe26248c793df52e [0,1,0,0,0,0|1,0,2]=4 67 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [0,1,0,0,0,0|1,1,1]=4 68 B6R0.1 CCNC(C)C#N c11bb97931a96bb8667e2c19bb27e47b [0,1,0,0,0,0|1,0,1]=3 69 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [0,1,0,0,0,0|1,0,1]=3 70 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [0,1,0,0,0,0|0,0,2]=3 71 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [0,1,0,0,0,0|1,0,1]=3 72 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [0,1,0,0,0,0|0,0,2]=3 73 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [0,1,0,0,0,0|1,0,1]=3 74 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [0,1,0,0,0,0|0,0,2]=3 75 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,1,0,0,0,0|0,0,0]=1 76 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [0,1,0,0,0,0|1,0,1]=3 77 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [0,1,0,0,0,0|1,0,1]=3 78 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [0,1,0,0,0,0|0,1,1]=3 79 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [0,1,0,0,0,0|1,0,1]=3 80 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [0,1,0,0,0,0|1,0,1]=3 81 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [0,1,0,0,0,0|0,1,1]=3 82 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [0,1,0,0,0,0|0,0,0]=1 83 B6R0.1 CC[C@@H](C)NCF 6dbb95a50e3976893bdb1627db012fbb [0,1,0,0,0,0|1,0,1]=3 84 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [0,1,0,0,0,0|0,0,2]=3 85 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [0,1,0,0,0,0|1,0,1]=3 86 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [0,1,0,0,0,0|0,0,0]=1 87 B6R0.1 CC[C@H](C)NCF 5d430afc33b47de08bdee5a967987e85 [0,1,0,0,0,0|1,0,1]=3 88 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [0,1,0,0,0,0|0,0,2]=3 89 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [0,1,0,0,0,0|1,0,1]=3 90 B6R0.1 CN(C=O)CC#N a7a395c841bf1c778a7b432155652f5f [0,1,0,0,0,0|1,0,1]=3 91 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [0,1,0,0,0,0|1,0,0]=2 92 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,1,0,0,0,0|1,0,0]=2 93 B6R0.1 CN(CF)CCF 3637d23f051ca2593a5a5b98ee47a1b5 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.1 CN(CF)CCO 45c87519ddef71b395da19084a38f5b6 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.1 CN(CO)CCF e5dd1ecfdd1f28e155abf2012a360c21 [0,1,0,0,0,0|1,0,2]=4 96 B6R0.1 CN(CO)CCO 54f662b94257417f82a22aa2c84d65c3 [0,1,0,0,0,0|1,0,2]=4 97 B6R0.1 C[C@@H](CO)NC#N 139f5cc18c10fce938a3acd4b6e91304 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [0,1,0,0,0,0|1,0,0]=2 99 B6R0.1 C[C@@H](CO)NCF 2b92b0d94fc310efd060ea85fc1ec030 [0,1,0,0,0,0|1,0,2]=4 100 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [0,1,0,0,0,0|1,0,2]=4 101 B6R0.1 C[C@H](C=O)NC#N 561b679827239db41a575e4f622826ae [0,1,0,0,0,0|1,0,1]=3 102 B6R0.1 C[C@H](CO)NC#N 169e9f99802281ff5010262eba8da425 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [0,1,0,0,0,0|1,0,0]=2 104 B6R0.1 C[C@H](CO)NCF 769b646e43e30d6b70ca628125c680bc [0,1,0,0,0,0|1,0,2]=4 105 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [0,1,0,0,0,0|1,0,2]=4 106 B6R0.1 C[C@H](CS)OCF db899319a56836cd7d73603a0da16225 [0,1,0,0,0,0|1,1,1]=4 107 B6R0.3 CC(C)N(C)C=O ed819c6af0078a1de69f07f4fd8d9ee5 [0,1,0,0,0,0|1,0,0]=2 108 B6R0.3 CC(C)N(C)CF d3c40e8bfc08dfa1b44a8a87aef31e93 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.3 CC(C)N(C)CO 68aaa92996932618c2ea955d854bb5c7 [0,1,0,0,0,0|1,0,2]=4 110 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,1,0,0,0,0|1,0,0]=2 111 B6R0.3 CCN(C)C(C)C 515b7690a64e89945d29d623804849df [0,1,0,0,0,0|2,0,1]=4 112 B6R1.6 CCN1CCC1 23b7abd822d5f351048cbd744915c161 [0,0,0,1,0,0|2,0,1]=4 113 B6R1.6 FCN1CCC1 be36fe433e3b5fde99e14f4c177c697e [0,0,0,1,0,0|2,0,1]=4 114 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [0,0,0,1,0,0|1,0,0]=2 115 B6R1.6 OCN1CCC1 f3cac714768fc30717bf6da5686dc581 [0,0,0,1,0,0|1,0,2]=4 116 B5R0.1 CC(C)NC#N ca654f29c9678ccae3e6761ddb91602e [1,1,0,0,0,0|1,0,1]=4 117 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [1,1,0,0,0,0|1,0,1]=4 118 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,1,0,0,0,0|0,0,1]=3 119 B5R0.2 C#CCNCC b7f456a7c0046d69162917c7df90472c [1,1,0,0,0,0|1,0,1]=4 120 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [1,1,0,0,0,0|1,0,1]=4 121 B5R0.2 CCCNC#N e55413a0eea711c89a0029efe46eb0b1 [1,1,0,0,0,0|1,0,1]=4 122 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,1,0,0,0,0|0,0,0]=2 123 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,1,0,0,0,0|1,0,1]=4 124 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,1,0,0,0,0|1,0,1]=4 125 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,1,0,0,0,0|0,0,2]=4 126 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,1,0,0,0,0|1,0,1]=4 127 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,1,0,0,0,0|1,0,1]=4 128 B5R0.2 CCNCC#N 8afea2f1bf8bfbfa2907ffe05f260d21 [1,1,0,0,0,0|1,0,1]=4 129 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [1,1,0,0,0,0|1,0,1]=4 130 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [1,1,0,0,0,0|1,0,1]=4 131 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [1,1,0,0,0,0|1,0,1]=4 132 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,1,0,0,0,0|0,0,2]=4 133 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,1,0,0,0,0|0,1,1]=4 134 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [1,1,0,0,0,0|1,0,1]=4 135 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,1,0,0,0,0|1,0,1]=4 136 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,1,0,0,0,0|0,1,1]=4 137 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,1,0,0,0,0|2,0,0]=4 138 B5R0.2 N#CCNC=O 80b3c5a6fd13156c1522f1a3270bb14c [1,1,0,0,0,0|1,0,1]=4 139 B5R0.2 N#CNCC=O 3856e5cdadd94d32cd8b2d487f474d44 [1,1,0,0,0,0|1,0,1]=4 140 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [1,1,0,0,0,0|1,0,0]=3 141 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [1,1,0,0,0,0|1,0,0]=3 142 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [1,1,0,0,0,0|1,0,0]=3 143 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,1,0,0,0,0|1,0,0]=3 144 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,1,0,0,0,0|1,0,0]=3 145 B7R0.2 C#CC(C)NC(=O)C 30a91f9e689320cab67e7176279a027a [0,2,0,0,0,0|0,0,2]=4 146 B7R0.2 C#CC(C)NC(C)C 1adfd08d21a60fe3922bad2a8cac6fc5 [0,2,0,0,0,0|1,0,1]=4 147 B7R0.2 C#CC(C)OC(C)C bd395c473397c0df03907e2995614562 [0,2,0,0,0,0|1,0,1]=4 148 B7R0.2 C#C[C@@H](C)NC(=O)C b5f4cb4c2ca82f0d4e132f2977db08a6 [0,2,0,0,0,0|0,0,2]=4 149 B7R0.2 C#C[C@@H](C)NC(C)C 4fb0ba4a4d14b34bf0f7402f8af0e7a0 [0,2,0,0,0,0|1,0,1]=4 150 B7R0.2 C#C[C@@H](C)OC(C)C 57b406fc1bff6e055637741c210d864a [0,2,0,0,0,0|1,0,1]=4 151 B7R0.2 C#C[C@H](C)NC(=O)C adfc3d71c946a289355ab55f3775ec5f [0,2,0,0,0,0|0,0,2]=4 152 B7R0.2 C#C[C@H](C)NC(C)C 9a0729fd31b9e7a065041f3f67ecd743 [0,2,0,0,0,0|1,0,1]=4 153 B7R0.2 C#C[C@H](C)OC(C)C 20fe24039694ac0ddbbae904a1c50c14 [0,2,0,0,0,0|1,0,1]=4 154 B7R0.2 C=C(Br)CN(C)CC a95e900b3ccec6668bc411630f5decf3 [0,2,0,0,0,0|2,0,0]=4 155 B7R0.2 C=C(C)CN(C)CC f46aa4737385fde5ecca127cfe0fb11b [0,2,0,0,0,0|2,0,0]=4 156 B7R0.2 C=C(C=O)OC(C)C 1024bdfd369573a0f4c5c31da01d34c1 [0,2,0,0,0,0|0,0,2]=4 157 B7R0.2 C=C(Cl)CN(C)CC 85a42652568d865a3db0ed61404dde1c [0,2,0,0,0,0|2,0,0]=4 158 B7R0.2 C=CC(C)NC(=O)C da0f45e746fe5ddfb85b752dba1a7d5c [0,2,0,0,0,0|0,0,2]=4 159 B7R0.2 C=CC(C)NC(C)C 538c1af40a959f36dd21007158f94b60 [0,2,0,0,0,0|1,0,0]=3 160 B7R0.2 C=CC(C)OC(C)C 532c4624b978961a1c4eda7e3050b228 [0,2,0,0,0,0|1,0,0]=3 161 B7R0.2 C=C[C@H](C)OC(C)C 0e0bab0a84cd6e94202f911cf430b03e [0,2,0,0,0,0|1,0,0]=3 162 B7R0.2 CC(=O)NC(C)C#N 5c82a898464bc97e12136e75988ac4b5 [0,2,0,0,0,0|1,0,1]=4 163 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [0,2,0,0,0,0|1,0,0]=3 164 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [0,2,0,0,0,0|1,0,0]=3 165 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [0,2,0,0,0,0|1,0,0]=3 166 B7R0.2 CC(C)CN(C)C=O b4351ddc68e0590149228e0a5cd05648 [0,2,0,0,0,0|1,0,0]=3 167 B7R0.2 CC(C)NC(C)C#N 67530a843e87041c95d3c81be4de1aa8 [0,2,0,0,0,0|1,0,1]=4 168 B7R0.2 CC(C)NC(C)CO 7d97b958c7e2d8819c7c1f63bb18ce94 [0,2,0,0,0,0|0,0,2]=4 169 B7R0.2 CC(C)N[C@@H](C)CO cb1d68f0941324aa0f3206f5b48bd94c [0,2,0,0,0,0|0,0,2]=4 170 B7R0.2 CC(C)N[C@H](C)CO f1b0a39369263dcbc11a080cbeb93c35 [0,2,0,0,0,0|0,0,2]=4 171 B7R0.2 CC(C)OC(C)C#N d367aad557142d52591f863ae6f1ec70 [0,2,0,0,0,0|1,0,1]=4 172 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [0,2,0,0,0,0|0,0,0]=2 173 B7R0.2 CC(C)OC(C)CF 4c1a23ea77490e2b6e1f5f1f7c7a9ead [0,2,0,0,0,0|1,0,1]=4 174 B7R0.2 CC(C)OC(C)CS f89a38446eb00d60fe9fa60b597f2b73 [0,2,0,0,0,0|0,1,1]=4 175 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [0,2,0,0,0,0|0,0,0]=2 176 B7R0.2 CC(C)O[C@H](C)CS 75e7bc7c54e109d0d519f886fee3300f [0,2,0,0,0,0|0,1,1]=4 177 B7R0.2 CC(O)CN(C)C=O 327f1a278ffacbbe3e88f0ce0c9edbdc [0,2,0,0,0,0|1,0,0]=3 178 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [0,2,0,0,0,0|0,0,0]=2 179 B7R0.2 CCC(C)NC(C)C 0cb605662148972b343a2865e41d2f95 [0,2,0,0,0,0|1,0,1]=4 180 B7R0.2 CCC(C)OC(C)C 06c7f52afdb28395f9fa9574a364e474 [0,2,0,0,0,0|1,0,1]=4 181 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [0,2,0,0,0,0|1,0,0]=3 182 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [0,2,0,0,0,0|1,0,0]=3 183 B7R0.2 CCN(C)C[N+](=O)[O-] 1747c815c0bddd9b3eea2e8a91b60fbe [0,2,0,0,0,0|1,0,1]=4 184 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [0,2,0,0,0,0|0,0,0]=2 185 B7R0.2 CC[C@@H](C)NC(C)C fbd46dfde63f10a9f545bd04d72d3565 [0,2,0,0,0,0|1,0,1]=4 186 B7R0.2 CC[C@@H](C)OC(C)C be2816eab25b2a9101da766270106c57 [0,2,0,0,0,0|1,0,1]=4 187 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [0,2,0,0,0,0|0,0,0]=2 188 B7R0.2 CC[C@H](C)NC(C)C df85b8e0c4ded03d149c43327f4a7c4a [0,2,0,0,0,0|1,0,1]=4 189 B7R0.2 CC[C@H](C)OC(C)C 2c6d159b250df3bb005afd7417a4b5dc [0,2,0,0,0,0|1,0,1]=4 190 B7R0.2 CN(C=O)CC(=O)N 647b1daaec1cafb5c97dc5a4d13d2291 [0,2,0,0,0,0|1,0,1]=4 191 B7R0.2 CN(C=O)CC(F)F 404a25a6927f94afdcbf48eb95fbc13d [0,2,0,0,0,0|1,0,0]=3 192 B7R0.2 CN(CF)CC(=O)N 35f09c99eb4485b888503c93a96568a5 [0,2,0,0,0,0|2,0,0]=4 193 B7R0.2 CN(CF)CC(=O)O 7d1eb1d71c500640f6029a70869bff49 [0,2,0,0,0,0|2,0,0]=4 194 B7R0.2 CN(CO)CC(=O)N 731e626c7cf4b35c02c8b97f3321d2b5 [0,2,0,0,0,0|2,0,0]=4 195 B7R0.2 CN(CO)CC(=O)O e8788fe9a5132c43f9e5136dbe3278ce [0,2,0,0,0,0|2,0,0]=4 196 B7R0.2 C[C@H](O)CN(C)C=O 25d41e47dcdadeb17ce6f98cdd60ebbc [0,2,0,0,0,0|1,0,0]=3 197 B7R0.3 C#CC(C)NCC=O ee5942f89b23fd86f41ead0eb91f1f2e [0,2,0,0,0,0|0,0,2]=4 198 B7R0.3 C#CC(C)NCCBr 9f42b4006e47fe369c2f3107df33b480 [0,2,0,0,0,0|1,0,1]=4 199 B7R0.3 C#CC(C)NCCC 0f597b1bca0c5618e6a85d1db7ea6731 [0,2,0,0,0,0|1,0,1]=4 200 B7R0.3 C#CC(C)NCCF fd51cf145bf51fb8f190e2a94657f5ec [0,2,0,0,0,0|1,0,1]=4 201 B7R0.3 C#CC(C)NCCI af50158c9b957a00bc39c9afdd4565fc [0,2,0,0,0,0|1,0,1]=4 202 B7R0.3 C#CC(C)NCCO bbba0c1d2ecd1db2e38885169cb41ae5 [0,2,0,0,0,0|1,0,1]=4 203 B7R0.3 C#CC(C)NCCS b58af2565a34ae4c8683d861488fa2fd [0,2,0,0,0,0|1,0,1]=4 204 B7R0.3 C#CC(C)NCOC 1d5be434cad6021f3ae75f538f01d843 [0,2,0,0,0,0|1,0,1]=4 205 B7R0.3 C#CC(C)NCSC 434c4c9786a3911e5c250e046533c62b [0,2,0,0,0,0|1,0,1]=4 206 B7R0.3 C#CC(C)OCC=O ba88f9e6c584cf37d447c8f942df3466 [0,2,0,0,0,0|0,0,2]=4 207 B7R0.3 C#CC(C)OCCC c2d572d3a7d4f8e4badc3f3253860e31 [0,2,0,0,0,0|1,0,1]=4 208 B7R0.3 C#CC(C)OCCF 7774b00cacd5f01f93b97c582c22aebc [0,2,0,0,0,0|1,0,1]=4 209 B7R0.3 C#CC(C)OCCS 677d2cf41c5776b9322f569b2e20ad78 [0,2,0,0,0,0|1,0,1]=4 210 B7R0.3 C#CC(C)OCOC f493f96c2be9b9205978c019e3195ea7 [0,2,0,0,0,0|1,0,1]=4 211 B7R0.3 C#CC(C)OCSC a9126d93da8afb9e755338e1f2ad5cd7 [0,2,0,0,0,0|1,0,1]=4 212 B7R0.3 C#CCCN(C)C=O 125766f3203296343dccf9d807927bcd [0,2,0,0,0,0|1,0,0]=3 213 B7R0.3 C#CCNC(C)C=C d8b354c113299f6016f99071889ca40d [0,2,0,0,0,0|1,0,1]=4 214 B7R0.3 C#CCNC(C)C=O 8a80a6d3188851c8aa12e1e598927010 [0,2,0,0,0,0|0,0,1]=3 215 B7R0.3 C#CCNC(C)CC 1c8cf786a7bf62a91e9eb3f09e0e4cb9 [0,2,0,0,0,0|1,0,1]=4 216 B7R0.3 C#CCN[C@@H](C)CC 48b5b4e4c3419c4d390c7be2cfb833e7 [0,2,0,0,0,0|1,0,1]=4 217 B7R0.3 C#CCN[C@H](C)C=O 8faab6e2c8060fcb11bf9cb31dde2a6b [0,2,0,0,0,0|0,0,1]=3 218 B7R0.3 C#CCN[C@H](C)CC 301aa888349cf4ee28848f6c9d611572 [0,2,0,0,0,0|1,0,1]=4 219 B7R0.3 C#CCOC(C)C=C e6ff6e85d796cdae2d545ee222db4a28 [0,2,0,0,0,0|1,0,1]=4 220 B7R0.3 C#CCOC(C)C=O 5e078bffbbf24660e1e42ec455de06b7 [0,2,0,0,0,0|0,0,1]=3 221 B7R0.3 C#CCOC(C)CC 59388fb49cbbdba7f912f977834cecae [0,2,0,0,0,0|1,0,1]=4 222 B7R0.3 C#CCO[C@@H](C)C=C 48a89e2f373160fd6c17148e75feea17 [0,2,0,0,0,0|1,0,1]=4 223 B7R0.3 C#CCO[C@@H](C)CC 0638932b66273b5968485ec5247ca338 [0,2,0,0,0,0|1,0,1]=4 224 B7R0.3 C#CCO[C@H](C)C=O 3dffa8d1b413bae459ea6e9776898d1a [0,2,0,0,0,0|0,0,1]=3 225 B7R0.3 C#CCO[C@H](C)CC 846e054615825e240b725005682063ae [0,2,0,0,0,0|1,0,1]=4 226 B7R0.3 C#C[C@@H](C)NCC=O 5e75d1c6c4c57369266bed642bd09c8c [0,2,0,0,0,0|0,0,2]=4 227 B7R0.3 C#C[C@@H](C)NCCC 27ba225c67029d8236c87fc6721fad3a [0,2,0,0,0,0|1,0,1]=4 228 B7R0.3 C#C[C@@H](C)NCCF e0c1990c39ed030f0d8b393a1e64d078 [0,2,0,0,0,0|1,0,1]=4 229 B7R0.3 C#C[C@@H](C)NCCO e9414cfb46cc033f4806e66f84d2f19c [0,2,0,0,0,0|1,0,1]=4 230 B7R0.3 C#C[C@@H](C)NCCS da71f9d45152d302b76aca07f2f11d0d [0,2,0,0,0,0|1,0,1]=4 231 B7R0.3 C#C[C@@H](C)NCOC 2ba0e1451bb24cea5ca970d61b987735 [0,2,0,0,0,0|1,0,1]=4 232 B7R0.3 C#C[C@@H](C)NCSC 8f6e840d3701f2c63b7704ceead9241a [0,2,0,0,0,0|1,0,1]=4 233 B7R0.3 C#C[C@@H](C)OCC=O e5dc09536c65fde58fa0a450d6db7a37 [0,2,0,0,0,0|0,0,2]=4 234 B7R0.3 C#C[C@@H](C)OCCC a39fbb6b92cf783620dba7ac3eacba0f [0,2,0,0,0,0|1,0,1]=4 235 B7R0.3 C#C[C@@H](C)OCCF 3310abc989f1679a61ca80b2a539306c [0,2,0,0,0,0|1,0,1]=4 236 B7R0.3 C#C[C@@H](C)OCCS 4e04a11dc65e84e3c6145d59508cdb0d [0,2,0,0,0,0|1,0,1]=4 237 B7R0.3 C#C[C@@H](C)OCOC b5f2510f611fba5c0b90597284089504 [0,2,0,0,0,0|1,0,1]=4 238 B7R0.3 C#C[C@@H](C)OCSC 060fcb199844a627b435f5fafc8ceb52 [0,2,0,0,0,0|1,0,1]=4 239 B7R0.3 C#C[C@H](C)NCC=O a08e4dd67e9c6ea8e5647895c6d0c01d [0,2,0,0,0,0|0,0,2]=4 240 B7R0.3 C#C[C@H](C)NCCC 870e3ac73d57aa9963af4d33ccaf86fd [0,2,0,0,0,0|1,0,1]=4 241 B7R0.3 C#C[C@H](C)NCCF 91841d87b09af0e4d1ea5c7e42ff8931 [0,2,0,0,0,0|1,0,1]=4 242 B7R0.3 C#C[C@H](C)NCCO 1a07e9f5216c88dd837e816c5c857fca [0,2,0,0,0,0|1,0,1]=4 243 B7R0.3 C#C[C@H](C)NCCS ad5eb5d5c390d7b62d5a78c32a63c091 [0,2,0,0,0,0|1,0,1]=4 244 B7R0.3 C#C[C@H](C)NCOC 08b281a3f645396c68d81ab72641dee6 [0,2,0,0,0,0|1,0,1]=4 245 B7R0.3 C#C[C@H](C)NCSC 30c5342dedc1c53040a94f0706e543bc [0,2,0,0,0,0|1,0,1]=4 246 B7R0.3 C#C[C@H](C)OCC=O 0416c8a6869357496f6fa27d6441617b [0,2,0,0,0,0|0,0,2]=4 247 B7R0.3 C#C[C@H](C)OCCC 8d5793d1e4a3c963bf10c09c5da5ac91 [0,2,0,0,0,0|1,0,1]=4 248 B7R0.3 C#C[C@H](C)OCCF 16f3c962063cbc9a1612a19a77fc207b [0,2,0,0,0,0|1,0,1]=4 249 B7R0.3 C#C[C@H](C)OCCS 42ab997997a9001ee9da9446c6900cb0 [0,2,0,0,0,0|1,0,1]=4 250 B7R0.3 C#C[C@H](C)OCOC 7a874ba6eb8c315241b513f50f519c90 [0,2,0,0,0,0|1,0,1]=4 251 B7R0.3 C#C[C@H](C)OCSC f64fdd53dcb15fef3872aae26753e4e1 [0,2,0,0,0,0|1,0,1]=4 252 B7R0.3 C/C(=C\I)/COCF fbb2d4ba845303b213c9d89902813b40 [0,2,0,0,0,0|1,0,1]=4 253 B7R0.3 C/C=C/CN(C)CC a833def0c5a9483904429a6d4fa647bf [0,2,0,0,0,0|2,0,0]=4 254 B7R0.3 C/C=C\CN(C)CC 0d52835f1d4ec546901139cc9ef0efe3 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [0,2,0,0,0,0|0,0,2]=4 256 B7R0.3 C=C(C=O)OCCF f36f281a47e9b29afb82a09d8a3f6a4b [0,2,0,0,0,0|0,0,2]=4 257 B7R0.3 C=C(C=O)OCCS 77fec4c96c514d23c04a525ff34b91e2 [0,2,0,0,0,0|0,0,2]=4 258 B7R0.3 C=C(C=O)OCOC fd2d010df8589efa2d493b57390022d2 [0,2,0,0,0,0|0,0,2]=4 259 B7R0.3 C=C(C=O)OCSC c329dc66e0c8ef5c815429253c081723 [0,2,0,0,0,0|0,0,2]=4 260 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [0,2,0,0,0,0|1,0,0]=3 261 B7R0.3 C=CC(C)COCF 94166e7d56c97db7f73328a301d86af6 [0,2,0,0,0,0|1,0,0]=3 262 B7R0.3 C=CC(C)NCC#N 1b5b3f0a2e623d05694422618a44cc9e [0,2,0,0,0,0|1,0,1]=4 263 B7R0.3 C=CC(C)NCC=O 39b14e3f69e0eb05b9593b7c40c09aad [0,2,0,0,0,0|0,0,2]=4 264 B7R0.3 C=CC(C)NCCBr b356883a0dc70704108470357c5d7d32 [0,2,0,0,0,0|1,0,0]=3 265 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [0,2,0,0,0,0|1,0,0]=3 266 B7R0.3 C=CC(C)NCCF 077bbc22cd0a8dcb78cded6a2db45aa7 [0,2,0,0,0,0|1,0,0]=3 267 B7R0.3 C=CC(C)NCCI ac7ae81e417980ca8ecb87af514042e3 [0,2,0,0,0,0|1,0,0]=3 268 B7R0.3 C=CC(C)NCCO 86960b6d278df2bdab9b0f12b5036032 [0,2,0,0,0,0|1,0,0]=3 269 B7R0.3 C=CC(C)NCCS f0ada7e973c6d56f24d465f4dbaba074 [0,2,0,0,0,0|1,0,0]=3 270 B7R0.3 C=CC(C)NCOC d8682dad21d615dadf36671471b4c9fe [0,2,0,0,0,0|1,0,0]=3 271 B7R0.3 C=CC(C)NCSC 00b0f67e17f5d1856f1ea6c73d24d2b6 [0,2,0,0,0,0|1,0,0]=3 272 B7R0.3 C=CC(C)OCC#N 87e0eff24f93b5f1a0aea138d5825835 [0,2,0,0,0,0|1,0,1]=4 273 B7R0.3 C=CC(C)OCC=O cb8ab1e26c946580cb2eacb238eceadb [0,2,0,0,0,0|0,0,2]=4 274 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [0,2,0,0,0,0|1,0,0]=3 275 B7R0.3 C=CC(C)OCCF c4042df7cc19bde943cbddaef845e060 [0,2,0,0,0,0|1,0,0]=3 276 B7R0.3 C=CC(C)OCCS 678429951381d6b0018777cbf0867dfc [0,2,0,0,0,0|1,0,0]=3 277 B7R0.3 C=CC(C)OCOC 7dfff84d56617c217e04946b11681e6b [0,2,0,0,0,0|1,0,0]=3 278 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [0,2,0,0,0,0|1,0,0]=3 279 B7R0.3 C=CC(O)CNCC 6606560bfc6ac678a6e77f699b5ea9b4 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.3 C=CC(O)CNCF 45fea0cdfc9533f811af25c5a7464b1f [0,2,0,0,0,0|2,0,0]=4 281 B7R0.3 C=CC(O)CNCO 3d7c6c2844077ac45767c2f09e74a1be [0,2,0,0,0,0|2,0,0]=4 282 B7R0.3 C=CCCN(C)C=O adf6557a42cae72b9ac47eaa39c6c3f7 [0,2,0,0,0,0|1,0,0]=3 283 B7R0.3 C=CCCN(C)CC 224a5773b1b84beacfc8f44066799c60 [0,2,0,0,0,0|2,0,0]=4 284 B7R0.3 C=CCNC(C)C=C 643449ce57adfb0e4dd3cbf4c6e5eff3 [0,2,0,0,0,0|1,0,1]=4 285 B7R0.3 C=CCNC(C)CC d45d48be61d418ef3d95cad9c5582bbe [0,2,0,0,0,0|1,0,0]=3 286 B7R0.3 C=CCNC(C)CO a948e20f9bd4754ec87302b6fdce81b3 [0,2,0,0,0,0|2,0,0]=4 287 B7R0.3 C=CCN[C@@H](C)CC c610fd310f1909b965f637191eeb2b15 [0,2,0,0,0,0|1,0,0]=3 288 B7R0.3 C=CCN[C@@H](C)CO e3ac2dff9fa8b94ad1bb6f4b16ad0799 [0,2,0,0,0,0|2,0,0]=4 289 B7R0.3 C=CCN[C@H](C)CC 0c789cf00460bd8cdb23c51009c4742c [0,2,0,0,0,0|1,0,0]=3 290 B7R0.3 C=CCN[C@H](C)CO 45438ab57072f0e042c82a4659374125 [0,2,0,0,0,0|2,0,0]=4 291 B7R0.3 C=CCOC(C)C=C a1650d51ca3c5bc9bbb4242a057bd09a [0,2,0,0,0,0|1,0,1]=4 292 B7R0.3 C=CCOC(C)C=O 6657ba082e9c102df1bd1e051b83669e [0,2,0,0,0,0|0,0,1]=3 293 B7R0.3 C=CCOC(C)CC 787a9267d8fe014db706087d78f6c857 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.3 C=CCOC(C)CF fb11bf0cefab4ea0e38b93cfcee01743 [0,2,0,0,0,0|2,0,0]=4 295 B7R0.3 C=CCOC(C)CS 0ddb9af989e9e9c33b24b66863a996b5 [0,2,0,0,0,0|2,0,0]=4 296 B7R0.3 C=CCO[C@@H](C)C=C 346d3a0f77fdd9102666716758056241 [0,2,0,0,0,0|1,0,1]=4 297 B7R0.3 C=CCO[C@@H](C)CC b304fc3faf864b09563f01310febaac7 [0,2,0,0,0,0|1,0,0]=3 298 B7R0.3 C=CCO[C@H](C)CC 15018d65de2076ec221d9660c184c296 [0,2,0,0,0,0|1,0,0]=3 299 B7R0.3 C=CCO[C@H](C)CS fd43ed19bf853317b3a063b2977abf8d [0,2,0,0,0,0|2,0,0]=4 300 B7R0.3 C=C[C@H](C)OCC#N 87ed494e61b6a628355bc93049d8b261 [0,2,0,0,0,0|1,0,1]=4 301 B7R0.3 C=C[C@H](C)OCC=O 1b1ed3039c6605fda21f2d5059ac888e [0,2,0,0,0,0|0,0,2]=4 302 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [0,2,0,0,0,0|1,0,0]=3 303 B7R0.3 C=C[C@H](C)OCCF 7f042cd75a5ba0def48be8560ce23a60 [0,2,0,0,0,0|1,0,0]=3 304 B7R0.3 C=C[C@H](C)OCCS db8d09200d0a97bd0c688972016cc7f4 [0,2,0,0,0,0|1,0,0]=3 305 B7R0.3 C=C[C@H](C)OCOC 7f6d09d69f15e79837c2da39f85862eb [0,2,0,0,0,0|1,0,0]=3 306 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [0,2,0,0,0,0|1,0,0]=3 307 B7R0.3 CC(=CI)COCF e6e0a6a2b924cee37e772cc08be340ea [0,2,0,0,0,0|1,0,1]=4 308 B7R0.3 CC(C#N)CNCF 02f8a851e28be19b2d3117630e8e3370 [0,2,0,0,0,0|1,0,1]=4 309 B7R0.3 CC(C#N)CNCO cdcd1d8e558d8fe031d84eda06590263 [0,2,0,0,0,0|1,0,1]=4 310 B7R0.3 CC(C#N)COCF 5bd96783c2c616ddb9bb1c10857135df [0,2,0,0,0,0|1,0,1]=4 311 B7R0.3 CC(C#N)NCC=O 69c055aa64463f8147e8c2a5cf4caa1a [0,2,0,0,0,0|1,0,1]=4 312 B7R0.3 CC(C#N)NCCF 6450985545dd0e0dd5088eee8ecc2f46 [0,2,0,0,0,0|1,0,1]=4 313 B7R0.3 CC(C#N)NCCI 54ae9bb95a89c9caa452fd5f086326eb [0,2,0,0,0,0|1,0,1]=4 314 B7R0.3 CC(C#N)NCCO 55b7405319dad98407f3509b935a08d4 [0,2,0,0,0,0|1,0,1]=4 315 B7R0.3 CC(C#N)NCCS adfd8836ca4622423073fd00e5aa980d [0,2,0,0,0,0|1,0,1]=4 316 B7R0.3 CC(C#N)OCCS 54ef71d430fa96d7cb92c30410fb9da9 [0,2,0,0,0,0|1,0,1]=4 317 B7R0.3 CC(C=O)NCC#N 127301cbe7cdf76d3d0981fbc706d46e [0,2,0,0,0,0|0,0,1]=3 318 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [0,2,0,0,0,0|0,0,0]=2 319 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [0,2,0,0,0,0|0,0,0]=2 320 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [0,2,0,0,0,0|0,0,0]=2 321 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [0,2,0,0,0,0|0,0,0]=2 322 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [0,2,0,0,0,0|0,0,0]=2 323 B7R0.3 CC(C=O)OCC#N 63783513853e77240eef1d91c3d59345 [0,2,0,0,0,0|0,0,1]=3 324 B7R0.3 CC(C=O)OCC=O 216dc0b62aef64aacebb34095641e5d6 [0,2,0,0,0,0|0,0,1]=3 325 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [0,2,0,0,0,0|0,0,0]=2 326 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [0,2,0,0,0,0|0,0,0]=2 327 B7R0.3 CC(CF)OCC=O 41897813684ca2355d787ae430508b45 [0,2,0,0,0,0|1,0,0]=3 328 B7R0.3 CC(CF)OCCF 61970d4a8d2156da592b0c1d02226f38 [0,2,0,0,0,0|1,0,1]=4 329 B7R0.3 CC(CF)OCCS 1b0e427f947de38ae03c6161eb7f3753 [0,2,0,0,0,0|1,0,1]=4 330 B7R0.3 CC(CO)CNC=O 24fbd7aa61fab8c89f8d9333e1a09567 [0,2,0,0,0,0|1,0,0]=3 331 B7R0.3 CC(CO)CNCF 8062cd63b1d1a450c851a630bc24bbef [0,2,0,0,0,0|0,0,2]=4 332 B7R0.3 CC(CO)CNCO 21fb23aa708a9b1afe928be1d7d3777a [0,2,0,0,0,0|0,0,2]=4 333 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [0,2,0,0,0,0|1,0,0]=3 334 B7R0.3 CC(CO)NCCBr 9d4fd176b9f7156afcd17616b9df73f4 [0,2,0,0,0,0|0,0,2]=4 335 B7R0.3 CC(CO)NCCF 3fb2f9d7a1fb44ff3a81b0f43c3cecd1 [0,2,0,0,0,0|0,0,2]=4 336 B7R0.3 CC(CO)NCCI 5c0bfbc53939f51e926c19c25f286c71 [0,2,0,0,0,0|0,0,2]=4 337 B7R0.3 CC(CO)NCCO 5cd093cef9425d970f2779cfd472d185 [0,2,0,0,0,0|0,0,2]=4 338 B7R0.3 CC(CO)NCCS 7e1b4b642ac91e5af00fd08799aa6e2e [0,2,0,0,0,0|0,0,2]=4 339 B7R0.3 CC(CS)OCC=O 4070359928b4f2d4ef682a3d0e169b5c [0,2,0,0,0,0|1,0,0]=3 340 B7R0.3 CC(CS)OCCF 5a14cb2acfb2d6d25be1b8f12b44b6ed [0,2,0,0,0,0|0,1,1]=4 341 B7R0.3 CC(CS)OCCS 4c5a0494234ba5cfb20d857e8ce0ca08 [0,2,0,0,0,0|0,1,1]=4 342 B7R0.3 CCC(C)CNC#N 2745cea8547630c0663889b1b93db18f [0,2,0,0,0,0|1,0,1]=4 343 B7R0.3 CCC(C)CNC=O ebd419a28eb79e00a55acb30bf712ff2 [0,2,0,0,0,0|0,0,0]=2 344 B7R0.3 CCC(C)CNCF b50ea40d2446dde4a785720e8c9ab76e [0,2,0,0,0,0|1,0,1]=4 345 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [0,2,0,0,0,0|0,0,2]=4 346 B7R0.3 CCC(C)COCF d83d0a95392ef09a2490e51164140783 [0,2,0,0,0,0|0,0,2]=4 347 B7R0.3 CCC(C)NCC#N 9dccc3b7b0f5034900215eb41b1410b6 [0,2,0,0,0,0|1,0,1]=4 348 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [0,2,0,0,0,0|0,0,0]=2 349 B7R0.3 CCC(C)NCCBr a824f3363a2868a7206559546a3484f0 [0,2,0,0,0,0|1,0,1]=4 350 B7R0.3 CCC(C)NCCF 2a8d3394dec4d41ce38c860bf4ab17dd [0,2,0,0,0,0|1,0,1]=4 351 B7R0.3 CCC(C)NCCI 6c2db2487fbf25506eed8cabe391bbb0 [0,2,0,0,0,0|1,0,1]=4 352 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [0,2,0,0,0,0|0,0,2]=4 353 B7R0.3 CCC(C)NCCS 7a8d315a94e5493fa661ae8da8c0d7d5 [0,2,0,0,0,0|0,1,1]=4 354 B7R0.3 CCC(C)NCOC 7706fa764743624f662862fda01b7a28 [0,2,0,0,0,0|0,0,2]=4 355 B7R0.3 CCC(C)NCSC c04eb7da5ed0a2a03e68485c2016666a [0,2,0,0,0,0|0,1,1]=4 356 B7R0.3 CCC(C)OCC#N 50ba24c28a608cb499d346735f93665e [0,2,0,0,0,0|1,0,1]=4 357 B7R0.3 CCC(C)OCC=O 3048fa7b9eb03a623d9ab002261defa2 [0,2,0,0,0,0|0,0,0]=2 358 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [0,2,0,0,0,0|1,0,1]=4 359 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [0,2,0,0,0,0|0,1,1]=4 360 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [0,2,0,0,0,0|0,0,2]=4 361 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [0,2,0,0,0,0|0,1,1]=4 362 B7R0.3 CCC(O)CNC=O 3e7e1c1d57179570b5ce8a6f87ec4444 [0,2,0,0,0,0|1,0,0]=3 363 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [0,2,0,0,0,0|1,0,0]=3 364 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,2,0,0,0,0|1,0,1]=4 365 B7R0.3 CCCNC(C)C#N e68d5a808283376392b45cfe49aa2551 [0,2,0,0,0,0|1,0,1]=4 366 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [0,2,0,0,0,0|0,0,0]=2 367 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [0,2,0,0,0,0|1,0,1]=4 368 B7R0.3 CCCNC(C)CO ef58a4cf57fdde87a0f1c08020c4e142 [0,2,0,0,0,0|0,0,2]=4 369 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [0,2,0,0,0,0|1,0,1]=4 370 B7R0.3 CCCN[C@@H](C)CO 9717e8befa87e4e1275959dce684e068 [0,2,0,0,0,0|0,0,2]=4 371 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [0,2,0,0,0,0|0,0,0]=2 372 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [0,2,0,0,0,0|1,0,1]=4 373 B7R0.3 CCCN[C@H](C)CO 7bbdc293a56e3b9e5394e782c67eaddd [0,2,0,0,0,0|0,0,2]=4 374 B7R0.3 CCCOC(C)C#N 3bbed55fa64cdbf50db9e06b38c864a7 [0,2,0,0,0,0|1,0,1]=4 375 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [0,2,0,0,0,0|0,0,0]=2 376 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,2,0,0,0,0|1,0,1]=4 377 B7R0.3 CCCOC(C)CF 9754423e03bd9c1680aa4f64130d3218 [0,2,0,0,0,0|1,0,1]=4 378 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [0,2,0,0,0,0|0,1,1]=4 379 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,2,0,0,0,0|1,0,1]=4 380 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [0,2,0,0,0,0|0,0,0]=2 381 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,2,0,0,0,0|1,0,1]=4 382 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [0,2,0,0,0,0|0,1,1]=4 383 B7R0.3 CCN(C)C/C=C/Cl 823585dad91397251f5e992cc63297db [0,2,0,0,0,0|2,0,0]=4 384 B7R0.3 CCN(C)C/C=C\Cl c5e2db65672dae81ab8ccdee907a4957 [0,2,0,0,0,0|2,0,0]=4 385 B7R0.3 CCN(C)C/C=C\O 60deab8000357700021216d9934790c2 [0,2,0,0,0,0|1,0,1]=4 386 B7R0.3 CCN(C)CCC=O 7943cc4d9a1ab8d439ad27cf7b079146 [0,2,0,0,0,0|1,0,0]=3 387 B7R0.3 CCNCC(C)C#N 1b59514d6c984e33a792bbce41493380 [0,2,0,0,0,0|1,0,1]=4 388 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [0,2,0,0,0,0|1,0,1]=4 389 B7R0.3 CCNCC(C)CO ded6e5c82cb05dc8e16cf8630e1ca3b5 [0,2,0,0,0,0|0,0,2]=4 390 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [0,2,0,0,0,0|1,0,1]=4 391 B7R0.3 CCNC[C@@H](C)OC 6e88fe4f7175c837d5238f2168d0e9a3 [0,2,0,0,0,0|2,0,0]=4 392 B7R0.3 CCNC[C@H](C)CO ef051a7bca96170e9f6bad04a99231e7 [0,2,0,0,0,0|0,0,2]=4 393 B7R0.3 CCNC[C@H](C)OC 0584eeded494335d50fae9461e407d42 [0,2,0,0,0,0|2,0,0]=4 394 B7R0.3 CCOC/C(=C/I)/C 92df24ec990a3895db2ac49e1b5a7038 [0,2,0,0,0,0|1,0,1]=4 395 B7R0.3 CCOCC(=CI)C fb53346fffa55ab558f152fe4ff2ec43 [0,2,0,0,0,0|1,0,1]=4 396 B7R0.3 CCOCC(C)C#N fb9ba785541d03acabb35183d7927e09 [0,2,0,0,0,0|1,0,1]=4 397 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [0,2,0,0,0,0|0,0,2]=4 398 B7R0.3 CCOCC(C)OC 00214de46f1604d32f121bd91c115789 [0,2,0,0,0,0|2,0,0]=4 399 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [0,2,0,0,0,0|0,0,2]=4 400 B7R0.3 CCOC[C@@H](C)OC ecceb3df9b78b58b5b76fdc0f6911e92 [0,2,0,0,0,0|2,0,0]=4 401 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [0,2,0,0,0,0|0,0,2]=4 402 B7R0.3 CCOC[C@H](C)OC fd13d8de7d92a89af8eab0e711a6bd02 [0,2,0,0,0,0|2,0,0]=4 403 B7R0.3 CC[C@@H](C)CNC#N c544182635f262c6345531d07f549545 [0,2,0,0,0,0|1,0,1]=4 404 B7R0.3 CC[C@@H](C)COCF 27ee9a97e87757a57bbd2473b47c8a0b [0,2,0,0,0,0|0,0,2]=4 405 B7R0.3 CC[C@@H](C)NCC#N 349bbcd477486d683d830b5721177924 [0,2,0,0,0,0|1,0,1]=4 406 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [0,2,0,0,0,0|0,0,0]=2 407 B7R0.3 CC[C@@H](C)NCCF 93d07692499e3b9aec2552214e2ff53f [0,2,0,0,0,0|1,0,1]=4 408 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [0,2,0,0,0,0|0,0,2]=4 409 B7R0.3 CC[C@@H](C)NCCS 34946916ab9d46b94332e25fb6d97f4b [0,2,0,0,0,0|0,1,1]=4 410 B7R0.3 CC[C@@H](C)NCOC 6f18e43812c50f5929ea1f0282d55276 [0,2,0,0,0,0|0,0,2]=4 411 B7R0.3 CC[C@@H](C)NCSC b2ccc0121f9ed49266567b6f15a655a0 [0,2,0,0,0,0|0,1,1]=4 412 B7R0.3 CC[C@@H](C)OCC#N 967f2c3fca95251181598ab565d2caef [0,2,0,0,0,0|1,0,1]=4 413 B7R0.3 CC[C@@H](C)OCC=O fcdaaaea8501897d08b7daa2ec02db5c [0,2,0,0,0,0|0,0,0]=2 414 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [0,2,0,0,0,0|1,0,1]=4 415 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [0,2,0,0,0,0|0,1,1]=4 416 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [0,2,0,0,0,0|0,0,2]=4 417 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [0,2,0,0,0,0|0,1,1]=4 418 B7R0.3 CC[C@@H](O)CNC=O 35e0b928eef0050ada3a4c2a6cc4db4c [0,2,0,0,0,0|1,0,0]=3 419 B7R0.3 CC[C@H](C)CNC#N 2d01ca5f7fbda4ac4ea7b7d65717717e [0,2,0,0,0,0|1,0,1]=4 420 B7R0.3 CC[C@H](C)CNC=O 8ddf4a7afc076d1492904a4e2d1a92ee [0,2,0,0,0,0|0,0,0]=2 421 B7R0.3 CC[C@H](C)CNCF d271465589c016cce21e3753bb72dfde [0,2,0,0,0,0|1,0,1]=4 422 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [0,2,0,0,0,0|0,0,2]=4 423 B7R0.3 CC[C@H](C)COCF 4d1b50442964dee0f36120907b5bf9ca [0,2,0,0,0,0|0,0,2]=4 424 B7R0.3 CC[C@H](C)NCC#N 79fe87b82bd2f5a7dcac84c0d29fce58 [0,2,0,0,0,0|1,0,1]=4 425 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [0,2,0,0,0,0|0,0,0]=2 426 B7R0.3 CC[C@H](C)NCCF c11007e79ee49cb1e974e79b53eb68c8 [0,2,0,0,0,0|1,0,1]=4 427 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [0,2,0,0,0,0|0,0,2]=4 428 B7R0.3 CC[C@H](C)NCCS e1691e0903c1eea23ce2232b4f4ff483 [0,2,0,0,0,0|0,1,1]=4 429 B7R0.3 CC[C@H](C)NCOC 487baefd593a366fd401fe5a0b33d07a [0,2,0,0,0,0|0,0,2]=4 430 B7R0.3 CC[C@H](C)NCSC b4999c020810a33e4d86f949175dda2d [0,2,0,0,0,0|0,1,1]=4 431 B7R0.3 CC[C@H](C)OCC#N ea9aeb285d0ece3233263861719aeec4 [0,2,0,0,0,0|1,0,1]=4 432 B7R0.3 CC[C@H](C)OCC=O 1749dffdbae3c22c50ca54c1db5fd2b4 [0,2,0,0,0,0|0,0,0]=2 433 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [0,2,0,0,0,0|1,0,1]=4 434 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [0,2,0,0,0,0|0,1,1]=4 435 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [0,2,0,0,0,0|0,0,2]=4 436 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [0,2,0,0,0,0|0,1,1]=4 437 B7R0.3 CN(C=O)CCC#N c9fb209356e5efd88139356a9a10ffcc [0,2,0,0,0,0|1,0,0]=3 438 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [0,2,0,0,0,0|1,0,0]=3 439 B7R0.3 CN(C=O)CCON d47ef5089d159dbeeea35383bc86b277 [0,2,0,0,0,0|1,0,0]=3 440 B7R0.3 COC(C)COCF c722a3f5401ca397f89df05f571bb3b2 [0,2,0,0,0,0|2,0,0]=4 441 B7R0.3 COCCN(C)C=O 31e1cd7ac14afa72fee2870fbd09d003 [0,2,0,0,0,0|1,0,0]=3 442 B7R0.3 COCNC(C)C#N ba246a7aa0bebb2f328a27e597041eea [0,2,0,0,0,0|1,0,1]=4 443 B7R0.3 COCNC(C)CO d9fc4f8dca5bf8aac173b2beda690449 [0,2,0,0,0,0|0,0,2]=4 444 B7R0.3 COCN[C@@H](C)CO 9f63bce992902a4f83c57ec0b08063e7 [0,2,0,0,0,0|0,0,2]=4 445 B7R0.3 COCN[C@H](C)CO c2d3c8f32c0c9b24129dc2255add4931 [0,2,0,0,0,0|0,0,2]=4 446 B7R0.3 COCOC(C)C#N 85e904d8cb0c25f94e972581402e1470 [0,2,0,0,0,0|1,0,1]=4 447 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [0,2,0,0,0,0|0,0,0]=2 448 B7R0.3 COCOC(C)CF 6a9dcf8f1b1aaa2624756f79d32e8649 [0,2,0,0,0,0|1,0,1]=4 449 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [0,2,0,0,0,0|0,0,0]=2 450 B7R0.3 CO[C@@H](C)CNC=O cbdf409ea735afb7a574d69375fb28db [0,2,0,0,0,0|1,0,0]=3 451 B7R0.3 CO[C@@H](C)CNCF d565ed3e1243bb1223e9664c2fc97af8 [0,2,0,0,0,0|2,0,0]=4 452 B7R0.3 CO[C@@H](C)CNCO ff28fd2c886f6ee1545aaf943963c99e [0,2,0,0,0,0|2,0,0]=4 453 B7R0.3 CO[C@@H](C)COCF 6e6ff1c74d26861c98bac3895e10d598 [0,2,0,0,0,0|2,0,0]=4 454 B7R0.3 CO[C@H](C)CNC=O 943b01dc3bd1c6157c7dfb62f870e0a6 [0,2,0,0,0,0|1,0,0]=3 455 B7R0.3 CO[C@H](C)CNCF ceaa416f9fa3f4676b4c6f05e53da533 [0,2,0,0,0,0|2,0,0]=4 456 B7R0.3 CO[C@H](C)CNCO ef2aaae2be2c576592de749a4d18a6e8 [0,2,0,0,0,0|2,0,0]=4 457 B7R0.3 CO[C@H](C)COCF 0c169ac11c6c9290a799aeebebac70a7 [0,2,0,0,0,0|2,0,0]=4 458 B7R0.3 CSCCN(C)C=O a6a4e8ea5b94212ce62d31147e5f4a78 [0,2,0,0,0,0|1,0,0]=3 459 B7R0.3 CSCNC(C)C#N 909ed7ecab76fb168afeb2c1846e5c40 [0,2,0,0,0,0|1,0,1]=4 460 B7R0.3 CSCNC(C)CO 6d4e5438054fc7d727ab269c682f1f18 [0,2,0,0,0,0|0,0,2]=4 461 B7R0.3 CSCN[C@@H](C)CO 902809602258c785ac8e71bdd59c992c [0,2,0,0,0,0|0,0,2]=4 462 B7R0.3 CSCN[C@H](C)CO a6e9f797fabfba51a16375762c3c5872 [0,2,0,0,0,0|0,0,2]=4 463 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [0,2,0,0,0,0|0,0,0]=2 464 B7R0.3 CSCOC(C)CF 65e26bd5fd3fba937ab56c5fd2b72624 [0,2,0,0,0,0|1,0,1]=4 465 B7R0.3 CSCOC(C)CS e72ba884b9015d7996527663a2b23dcf [0,2,0,0,0,0|0,1,1]=4 466 B7R0.3 CSCO[C@H](C)CS f2b1cd8743208a95078103d175668411 [0,2,0,0,0,0|0,1,1]=4 467 B7R0.3 C[C@@H](CO)NCC=O 20c7bf02d372e36cba042ac5b28907f5 [0,2,0,0,0,0|1,0,0]=3 468 B7R0.3 C[C@@H](CO)NCCBr 5bfdda3a2e7eed27dfaa991ff0ef97da [0,2,0,0,0,0|0,0,2]=4 469 B7R0.3 C[C@@H](CO)NCCF c52aa10a04722f940d2009fa7a4930ad [0,2,0,0,0,0|0,0,2]=4 470 B7R0.3 C[C@@H](CO)NCCI 6bdc75e50c6dc3234bc69f090327544f [0,2,0,0,0,0|0,0,2]=4 471 B7R0.3 C[C@@H](CO)NCCO f533b151726db8df114b2e138c242e75 [0,2,0,0,0,0|0,0,2]=4 472 B7R0.3 C[C@@H](CO)NCCS 7391d6153b1cb03960b0fd4a99934217 [0,2,0,0,0,0|0,0,2]=4 473 B7R0.3 C[C@H](C=O)NCC#N 9b1d30d7284bc89f6f0ba6960b607cac [0,2,0,0,0,0|0,0,1]=3 474 B7R0.3 C[C@H](C=O)NCCBr 1c88aafc7cf0e6ecf5a695c971d96c26 [0,2,0,0,0,0|0,0,0]=2 475 B7R0.3 C[C@H](C=O)NCCF 312336c63755d0cb499e935eb3842567 [0,2,0,0,0,0|0,0,0]=2 476 B7R0.3 C[C@H](C=O)NCCI 365ac184287fbb3cff12bb64cb86f31d [0,2,0,0,0,0|0,0,0]=2 477 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [0,2,0,0,0,0|0,0,0]=2 478 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [0,2,0,0,0,0|0,0,0]=2 479 B7R0.3 C[C@H](C=O)OCC#N a51c72275e2be0c3e4b80eaa109e7244 [0,2,0,0,0,0|0,0,1]=3 480 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [0,2,0,0,0,0|0,0,0]=2 481 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [0,2,0,0,0,0|0,0,0]=2 482 B7R0.3 C[C@H](CO)CNC=O 32037413a41facbb9dd3661f525eb476 [0,2,0,0,0,0|1,0,0]=3 483 B7R0.3 C[C@H](CO)CNCF f5548f2764a66a9258eff90a77f81616 [0,2,0,0,0,0|0,0,2]=4 484 B7R0.3 C[C@H](CO)CNCO e7c0a7e8a9580f5a7445a0921a5a0780 [0,2,0,0,0,0|0,0,2]=4 485 B7R0.3 C[C@H](CO)NCC=O 1a3e3f6cab470e0221e0a223d10de41c [0,2,0,0,0,0|1,0,0]=3 486 B7R0.3 C[C@H](CO)NCCBr cfab7907db9e63f890c879384e24e5b4 [0,2,0,0,0,0|0,0,2]=4 487 B7R0.3 C[C@H](CO)NCCF cb91bb5edb2a0c63c570d34f11071d1c [0,2,0,0,0,0|0,0,2]=4 488 B7R0.3 C[C@H](CO)NCCI 7e2db315aeaaac49480cb09083a749f2 [0,2,0,0,0,0|0,0,2]=4 489 B7R0.3 C[C@H](CO)NCCO 57e737113b903a53b0864be81471f1e6 [0,2,0,0,0,0|0,0,2]=4 490 B7R0.3 C[C@H](CO)NCCS ca2eaea9731c563c60cf01430832dca9 [0,2,0,0,0,0|0,0,2]=4 491 B7R0.3 C[C@H](CS)OCC=O 54b8c633a4f5d8e7a615987326df81f2 [0,2,0,0,0,0|1,0,0]=3 492 B7R0.3 C[C@H](CS)OCCF e802a848389fb605db8d861c1c53c8bb [0,2,0,0,0,0|0,1,1]=4 493 B7R0.3 C[C@H](CS)OCCS f4b2ba60b9ef84050b5c98d7dfd70389 [0,2,0,0,0,0|0,1,1]=4 494 B7R0.3 O=CC(=O)NCCBr 2e764955e5b027229dc47aa131dbf662 [0,2,0,0,0,0|1,0,1]=4 495 B7R0.3 O=CC(=O)NCCF fc9621fe97219629ab963b2546f4b25a [0,2,0,0,0,0|1,0,1]=4 496 B7R0.3 O=CC(=O)NCCI e0a4f5a8499d8d769053243c1c1c0e74 [0,2,0,0,0,0|1,0,1]=4 497 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [0,2,0,0,0,0|1,0,1]=4 498 B7R0.3 O=CC(=O)NCCS 8f21f47feaeb7f9710321d6778c69f89 [0,2,0,0,0,0|1,0,1]=4 499 B7R0.3 O=CNCC(Br)CBr 93597cc22f25c51d1dc8b5845ef56682 [0,2,0,0,0,0|2,0,0]=4 500 B7R0.3 O=CNCC(F)CO 20b10b91868850c2fa4696a502438329 [0,2,0,0,0,0|2,0,0]=4 501 B7R0.3 O=CNCC(O)CO f07ee978b5361099ae5463db2d8284c6 [0,2,0,0,0,0|2,0,0]=4 502 B7R0.3 O=CNC[C@@H](F)CO fe3e6de1ebe35bf08c36352dbce26e10 [0,2,0,0,0,0|2,0,0]=4 503 B7R0.3 O=CNC[C@@H](O)CO 4afeec0bbb868f60f0a97c37149bb7ed [0,2,0,0,0,0|2,0,0]=4 504 B7R0.3 O=CNC[C@H](F)CO 22ed73e19a0bc3d8fec3d0ab621da9c9 [0,2,0,0,0,0|2,0,0]=4 505 B7R0.3 O=CNC[C@H](O)CO bac710e216d9ff7e3114b1f469852b76 [0,2,0,0,0,0|2,0,0]=4 506 B7R0.5 C#CCN(C)C(=O)C 4c2838202c8d4a7447032fb8e60c10bd [0,2,0,0,0,0|1,0,1]=4 507 B7R0.5 C=CCN(C)C(=O)C 77714e98bf9639848b13a6be6674f5f4 [0,2,0,0,0,0|1,0,1]=4 508 B7R0.5 C=CCN(C)C(C)C 96de01368c533ec0e3507154958af2ed [0,2,0,0,0,0|2,0,0]=4 509 B7R0.5 CC(=O)C(C)NC#N e4d49c900f9d6cdb7977169c84d66254 [0,2,0,0,0,0|1,0,1]=4 510 B7R0.5 CC(=O)C(C)OCF 7c6a7a2752d146ccb367c2a6ec272a5d [0,2,0,0,0,0|1,0,0]=3 511 B7R0.5 CC(=O)N(C)CC#N cce5ba08a0b5b4e42f2a8adc17c92fd8 [0,2,0,0,0,0|1,0,1]=4 512 B7R0.5 CC(=O)N(C)CCF 4c9e9e2bb017d5fcf5d5113705af3b65 [0,2,0,0,0,0|1,0,0]=3 513 B7R0.5 CC(=O)N(C)CCO ba457e3be79fea19f791558c60ef2a77 [0,2,0,0,0,0|1,0,0]=3 514 B7R0.5 CC(C)C(C)NC#N c1d5db6fd1627cb82f8f7326c8a6c7a2 [0,2,0,0,0,0|1,0,1]=4 515 B7R0.5 CC(C)C(C)NC=O 4e819ff0160e7ed0f2ff22f1b3980c8f [0,2,0,0,0,0|0,0,0]=2 516 B7R0.5 CC(C)C(C)NCF 643136cdaccdc2c2feaceaf8387098cb [0,2,0,0,0,0|1,0,1]=4 517 B7R0.5 CC(C)C(C)NCO 3e5c534ac08ff52ad797b9ecde6db54e [0,2,0,0,0,0|0,0,2]=4 518 B7R0.5 CC(C)C(C)OCF 80276d10e0b66e37d961ea14d47b0969 [0,2,0,0,0,0|1,0,1]=4 519 B7R0.5 CC(C)N(C)CC=O dce9ec45ecad4267effdc3296bdfc642 [0,2,0,0,0,0|1,0,0]=3 520 B7R0.5 CC(C)[C@@H](C)NC=O 83a0d0bfb3b7ec5a070ad221a7115b67 [0,2,0,0,0,0|0,0,0]=2 521 B7R0.5 CC(C)[C@@H](C)NCF b41e18f15d7a7a980d0fe6a1eba98267 [0,2,0,0,0,0|1,0,1]=4 522 B7R0.5 CC(C)[C@@H](C)NCO dae9283d092fb775f557bbf40fd5342a [0,2,0,0,0,0|0,0,2]=4 523 B7R0.5 CC(C)[C@@H](C)OCF 424651f56e9c7a59f079f55fb4486da5 [0,2,0,0,0,0|1,0,1]=4 524 B7R0.5 CC(C)[C@H](C)NC=O bcc2ba4727ee5d240548f8fc29a1480b [0,2,0,0,0,0|0,0,0]=2 525 B7R0.5 CC(C)[C@H](C)NCF e48701e9d3440c0ecd05eac322b8d2d3 [0,2,0,0,0,0|1,0,1]=4 526 B7R0.5 CC(C)[C@H](C)NCO 8adad5810c92a16d836b9deea9f0a802 [0,2,0,0,0,0|0,0,2]=4 527 B7R0.5 CC(C)[C@H](C)OCF 6f8956e151353b4df44e100c25e804da [0,2,0,0,0,0|1,0,1]=4 528 B7R0.5 CC(NC#N)C(=O)N ac65e4a211d66fd767be0e1f95765b62 [0,2,0,0,0,0|1,0,1]=4 529 B7R0.5 CC(NC#N)C(=O)O 392de9697c4a5dcddc67adbe8abaabb3 [0,2,0,0,0,0|1,0,1]=4 530 B7R0.5 CC(NC=O)C(=O)N 46e3df0da90011f803541e030709e2d3 [0,2,0,0,0,0|1,0,1]=4 531 B7R0.5 CC(NCF)C(=O)N f0a5cc6cd244223372790316f7e61f94 [0,2,0,0,0,0|1,0,0]=3 532 B7R0.5 CC(NCF)C(=O)O 678d57d218e04263cf06f7d55d31cd1d [0,2,0,0,0,0|1,0,0]=3 533 B7R0.5 CC(NCO)C(=O)N f8080c17d94f9bd121a85d094899f029 [0,2,0,0,0,0|1,0,0]=3 534 B7R0.5 CC(NCO)C(=O)O fe4a7856b889669392c300fb3cd4873c [0,2,0,0,0,0|1,0,0]=3 535 B7R0.5 CC(O)C(C)NC=O 260810e8bba0286df97574f1b44d4d22 [0,2,0,0,0,0|0,0,0]=2 536 B7R0.5 CC(O)C(C)NCF bf97ad3ecde72b9ce907773444f2ac7d [0,2,0,0,0,0|1,0,1]=4 537 B7R0.5 CC(O)C(C)NCO f5ad7a8ea3ea402c77cd7eb338910db7 [0,2,0,0,0,0|0,0,2]=4 538 B7R0.5 CC(OCF)C(=O)N 6a877ba17ca7a0aa924ab8a787d3d31c [0,2,0,0,0,0|1,0,0]=3 539 B7R0.5 CC(OCF)C(=O)O 98938b6366d5b1644ffb60bc89cae3d5 [0,2,0,0,0,0|1,0,0]=3 540 B7R0.5 CC(S)C(C)OCF c7099e5b1e3a4f16ef567413c6077b3f [0,2,0,0,0,0|1,0,1]=4 541 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [0,2,0,0,0,0|1,0,0]=3 542 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [0,2,0,0,0,0|0,0,0]=2 543 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [0,2,0,0,0,0|0,0,0]=2 544 B7R0.5 CCNC(C)C(C)C 6ff6c70a41ff0de8b891e50966ef9339 [0,2,0,0,0,0|1,0,1]=4 545 B7R0.5 CCNC(C)C(C)O 392d96cf423ba6d8f5882a82ddace883 [0,2,0,0,0,0|0,0,2]=4 546 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [0,2,0,0,0,0|1,0,0]=3 547 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [0,2,0,0,0,0|0,0,0]=2 548 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [0,2,0,0,0,0|0,0,0]=2 549 B7R0.5 CCN[C@@H](C)C(C)C 54d4aa17c71caa18f971b7cc220c5c61 [0,2,0,0,0,0|1,0,1]=4 550 B7R0.5 CCN[C@@H](C)C(F)F f76fde6ed819e493c6854180a8253124 [0,2,0,0,0,0|1,0,1]=4 551 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [0,2,0,0,0,0|0,0,0]=2 552 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [0,2,0,0,0,0|0,0,0]=2 553 B7R0.5 CCN[C@H](C)C(C)C 26ce300d7da809c460e59e21a4343853 [0,2,0,0,0,0|1,0,1]=4 554 B7R0.5 CCN[C@H](C)C(F)F 9d31d6515dd78ca74d9458514fa1e8c8 [0,2,0,0,0,0|1,0,1]=4 555 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,2,0,0,0,0|0,0,0]=2 556 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [0,2,0,0,0,0|0,0,0]=2 557 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [0,2,0,0,0,0|0,0,0]=2 558 B7R0.5 CCOC(C)C(C)C bb142acd6bd0d3536405c513b06eea53 [0,2,0,0,0,0|1,0,1]=4 559 B7R0.5 CCOC(C)C(C)S e76d621ef1113c6e6d1e86237ce3aa29 [0,2,0,0,0,0|0,1,1]=4 560 B7R0.5 CCOC(C)C(F)F 6f25fcdcd396a613a3486f9e7e152366 [0,2,0,0,0,0|1,0,1]=4 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[0,2,0,0,0,0|1,0,0]=3 573 B7R0.5 C[C@@H](NCO)C(=O)N 40aeb7a188f95caf183e4558e0c9a7d0 [0,2,0,0,0,0|1,0,0]=3 574 B7R0.5 C[C@@H](NCO)C(=O)O a97b9962f90d67259e383605fc714644 [0,2,0,0,0,0|1,0,0]=3 575 B7R0.5 C[C@@H](OCF)C(=O)N a8a242c6e5e7f1df942e8a00c665aaa2 [0,2,0,0,0,0|1,0,0]=3 576 B7R0.5 C[C@@H](OCF)C(=O)O eca3562769119aefebca30b8cb46ef3d [0,2,0,0,0,0|1,0,0]=3 577 B7R0.5 C[C@H](NC#N)C(=O)N d3e535a73ffb5f5f8cce46f54c0d5583 [0,2,0,0,0,0|1,0,1]=4 578 B7R0.5 C[C@H](NC#N)C(=O)O 001f1128fc667ba9af909598a06ab98b [0,2,0,0,0,0|1,0,1]=4 579 B7R0.5 C[C@H](NC=O)C(=O)N 16bf5f670688c6b3e99af2484506540e [0,2,0,0,0,0|1,0,1]=4 580 B7R0.5 C[C@H](NC=O)C(F)F 5e0cefc125bbd8fa20819b1d21e2b0ce [0,2,0,0,0,0|1,0,0]=3 581 B7R0.5 C[C@H](NCF)C(=O)N ec9ad2764694c43582e2759286389cce [0,2,0,0,0,0|1,0,0]=3 582 B7R0.5 C[C@H](NCF)C(=O)O 8f95fb8302879a9840726de50eb63034 [0,2,0,0,0,0|1,0,0]=3 583 B7R0.5 C[C@H](NCO)C(=O)N e220146cab979067711359ee78003370 [0,2,0,0,0,0|1,0,0]=3 584 B7R0.5 C[C@H](NCO)C(=O)O 22dff04db3c7b130eddc4a545a3e505d [0,2,0,0,0,0|1,0,0]=3 585 B7R0.5 C[C@H](OCF)C(=O)N cc20e1724629715f568aafa6de2ccb26 [0,2,0,0,0,0|1,0,0]=3 586 B7R0.5 C[C@H](OCF)C(=O)O 3b1dcb29a34b79a18541896ae618cad0 [0,2,0,0,0,0|1,0,0]=3 587 B7R0.5 O=C(O)C(O)NCF debbdbf9e1d3d8838357ca1b62835c9a [0,2,0,0,0,0|2,0,0]=4 588 B7R0.5 O=C(O)C(O)NCO 6aca03582d286fba98508921a1d70ae3 [0,2,0,0,0,0|2,0,0]=4 589 B7R0.7 C#CCC(C)OCC c1f6c314cdd73a7fa8ad58ddb797863b [0,2,0,0,0,0|1,0,1]=4 590 B7R0.7 C#CCN(C)CC=O dff01d702c39ab67a4f96703b4d65557 [0,2,0,0,0,0|1,0,1]=4 591 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [0,2,0,0,0,0|1,0,0]=3 592 B7R0.7 C/C=C/C(C)OCF 3320ba4ae2d9fdbf44f9979a869dffee [0,2,0,0,0,0|2,0,0]=4 593 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [0,2,0,0,0,0|1,0,0]=3 594 B7R0.7 C=CCC(C)OCF 2ea57e9504db84bdaa251cea2b6d235a [0,2,0,0,0,0|2,0,0]=4 595 B7R0.7 C=CCN(C)CC=O 0a0a0470779380dc482d888ec7270821 [0,2,0,0,0,0|1,0,1]=4 596 B7R0.7 C=CCN(C)CCC 4db190253ad01fc85a9136b104142548 [0,2,0,0,0,0|2,0,0]=4 597 B7R0.7 C=CCN(C)CCF b31bc09de38c09b7eacc67cab349dd8e [0,2,0,0,0,0|2,0,0]=4 598 B7R0.7 C=CCN(C)CCO 979ac659399c5cc5526a5ffaafb300dd [0,2,0,0,0,0|2,0,0]=4 599 B7R0.7 C=CCN(C)CCS 39ef2c909095bde90a27bd83d01eb339 [0,2,0,0,0,0|2,0,0]=4 600 B7R0.7 C=CCN(C)COC 36534bf3b31eb577cc61ba87a9d55a6b [0,2,0,0,0,0|2,0,0]=4 601 B7R0.7 C=CCN(C)CSC f1be06c214da72bca84cecc462a1a3ad [0,2,0,0,0,0|2,0,0]=4 602 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [0,2,0,0,0,0|1,0,0]=3 603 B7R0.7 C=CC[C@@H](C)OCF 51977b3390daf4ec7d8c8b67e41f6ec4 [0,2,0,0,0,0|2,0,0]=4 604 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [0,2,0,0,0,0|1,0,0]=3 605 B7R0.7 C=CC[C@H](C)OCF e1a26aac47576e318dc06827e291df9a [0,2,0,0,0,0|2,0,0]=4 606 B7R0.7 CC#CC(C)OCC 7d169bd73109df0adecd56f315bb5686 [0,2,0,0,0,0|1,0,1]=4 607 B7R0.7 CC(CC#N)NC=O dfc1f8290024fbf8549fe517f54abe5f [0,2,0,0,0,0|0,0,1]=3 608 B7R0.7 CC(CCO)NC#N e70b82d41e1ede507c7c5722bde31959 [0,2,0,0,0,0|1,0,1]=4 609 B7R0.7 CC(CCO)NC=O 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CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [0,2,0,0,0,0|1,0,1]=4 623 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [0,2,0,0,0,0|1,0,1]=4 624 B7R0.7 CCC[C@H](C)NC=O d7593154c1a9fc5db070af269735e419 [0,2,0,0,0,0|0,0,0]=2 625 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [0,2,0,0,0,0|1,0,1]=4 626 B7R0.7 CCC[C@H](C)NCF bb5a2f2a6bcb2a0616cca7690ac17090 [0,2,0,0,0,0|1,0,1]=4 627 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [0,2,0,0,0,0|0,0,2]=4 628 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [0,2,0,0,0,0|1,0,1]=4 629 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [0,2,0,0,0,0|1,0,1]=4 630 B7R0.7 CCNC(C)CC#N 896c231cd495c6357e72819fab470c66 [0,2,0,0,0,0|1,0,1]=4 631 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [0,2,0,0,0,0|0,0,2]=4 632 B7R0.7 CCNC(C)COC af3d09b9c16b18b44031a6b489b2fd56 [0,2,0,0,0,0|0,0,2]=4 633 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [0,2,0,0,0,0|0,0,2]=4 634 B7R0.7 CCN[C@@H](C)COC 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[0,2,0,0,0,0|1,0,0]=3 647 B7R0.7 COCC(C)NC#N 871d3e288a7c4756795571eac781bef6 [0,2,0,0,0,0|1,0,1]=4 648 B7R0.7 COCC(C)NC=O 45a0b649e4600219d555cc1f9498bdc8 [0,2,0,0,0,0|0,0,0]=2 649 B7R0.7 COCC(C)NCF 37ce3660c3b090e9f9edd5124bcdcd9a [0,2,0,0,0,0|1,0,1]=4 650 B7R0.7 COCC(C)NCO 6c5d5187b65d28bd76ca5cd109efad49 [0,2,0,0,0,0|0,0,2]=4 651 B7R0.7 COCC(C)OCF ba759e057fe1b6bc36072f0ed66c672a [0,2,0,0,0,0|1,0,1]=4 652 B7R0.7 COC[C@@H](C)NC=O d1500602ed7da53624fa7ed4337a50c3 [0,2,0,0,0,0|0,0,0]=2 653 B7R0.7 COC[C@@H](C)NCF a6548424f9201b13ac58df133eb2a24a [0,2,0,0,0,0|1,0,1]=4 654 B7R0.7 COC[C@@H](C)NCO 5b123b6ebd0e85051da558c3ea88e6ed [0,2,0,0,0,0|0,0,2]=4 655 B7R0.7 COC[C@@H](C)OCF 8f42f68524f58334b9b291fd96846ba2 [0,2,0,0,0,0|1,0,1]=4 656 B7R0.7 COC[C@H](C)NC=O 9ace0af38b8cac4dc5e5d6d9564d36a8 [0,2,0,0,0,0|0,0,0]=2 657 B7R0.7 COC[C@H](C)NCF 7304476e002e28def6ba549158f64fb0 [0,2,0,0,0,0|1,0,1]=4 658 B7R0.7 COC[C@H](C)NCO d58653f64afc5f3d3534e35a74eeeaa8 [0,2,0,0,0,0|0,0,2]=4 659 B7R0.7 COC[C@H](C)OCF a6a8493c8eb55af12b084ba1e2d842c6 [0,2,0,0,0,0|1,0,1]=4 660 B7R0.7 CSCC(C)OCF 689a149956402544a2d3e6be9443efc2 [0,2,0,0,0,0|1,0,1]=4 661 B7R0.7 C[C@@H](CCO)NC=O eb95ec52954fcdf5dbae515a1b580040 [0,2,0,0,0,0|0,0,0]=2 662 B7R0.7 C[C@@H](CCO)NCF 35f1d2cdbf2c5b52cb9e37f48197b555 [0,2,0,0,0,0|1,0,1]=4 663 B7R0.7 C[C@@H](CCO)NCO d1bf1253e6c406f96778567e6d5de8e7 [0,2,0,0,0,0|0,0,2]=4 664 B7R0.7 C[C@H](CCO)NC=O b74e456417922c93cc7901b1f7160ec1 [0,2,0,0,0,0|0,0,0]=2 665 B7R0.7 C[C@H](CCO)NCF dcb503816f0fded4b6581421c9c4b10d [0,2,0,0,0,0|1,0,1]=4 666 B7R0.7 C[C@H](CCO)NCO ccd004333d3de23c28e090d6ff4977aa [0,2,0,0,0,0|0,0,2]=4 667 B7R0.10 C#CC(=O)N(C)CC 4f67029623c6e5ee152bff61a129616e [0,2,0,0,0,0|1,0,0]=3 668 B7R0.10 C#CC(C)N(C)CC da354114903036d1fea5b0938f681f0b [0,2,0,0,0,0|1,0,1]=4 669 B7R0.10 C=CC(=O)N(C)CC 5cdce1a1cd893d8ab1284f8177670f55 [0,2,0,0,0,0|1,0,0]=3 670 B7R0.10 C=CC(C)N(C)CC 4e19c64cea3fd4c093ea40cd82bb7bd4 [0,2,0,0,0,0|1,0,0]=3 671 B7R0.10 CC(CO)N(C)C=O 4659927dd4489ef42e67e78276d3b1b4 [0,2,0,0,0,0|1,0,0]=3 672 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [0,2,0,0,0,0|1,0,0]=3 673 B7R0.10 CCC(C)N(C)C=O aaa2a77e867aed83923621e3629d674e [0,2,0,0,0,0|0,0,0]=2 674 B7R0.10 CCC(C)N(C)CC 7f98f3cb5d001a509589f6f457ffe6ca [0,2,0,0,0,0|1,0,1]=4 675 B7R0.10 CCC(C)N(C)CF d256e2823039dc8016c48630c6e9d811 [0,2,0,0,0,0|1,0,1]=4 676 B7R0.10 CCC(C)N(C)CO 1b36e6675b647f3c2b421b00c5b597a7 [0,2,0,0,0,0|0,0,2]=4 677 B7R0.10 CCN(C)C(=O)C=O db5732fec82020b1e06387d47e0f63dc [0,2,0,0,0,0|1,0,0]=3 678 B7R0.10 CCN(C)C(=O)CF 54aaf1a54644f658afd3f400769d8763 [0,2,0,0,0,0|1,0,0]=3 679 B7R0.10 CCN(C)C(=O)CO ed09d31f2cea5da5288bffcd06a685cb [0,2,0,0,0,0|1,0,0]=3 680 B7R0.10 CCN(C)C(=O)CS 733bcf40a4acbb7ca1e0cf3589cee1e7 [0,2,0,0,0,0|1,0,0]=3 681 B7R0.10 CCN(C)C(C)C=O 3a064273f8f7f25930c79a89d95b0e17 [0,2,0,0,0,0|0,0,0]=2 682 B7R0.10 CCN(C)C(C)CO bebabfe649434d11c02db23f8c999491 [0,2,0,0,0,0|0,0,2]=4 683 B7R0.10 CCN(C)[C@@H](C)CO 0928581d52d4c504aa98f7d51aa86889 [0,2,0,0,0,0|0,0,2]=4 684 B7R0.10 CCN(C)[C@H](C)C=O 193bc5a546dbc7ad240f6d8ae5d9f8d3 [0,2,0,0,0,0|0,0,0]=2 685 B7R0.10 CCN(C)[C@H](C)CO 9f8b649df632bf19345f656ecd33a6ed [0,2,0,0,0,0|0,0,2]=4 686 B7R0.10 C[C@@H](CO)N(C)C=O b94b965b512745cf284fdc052a9474ae [0,2,0,0,0,0|1,0,0]=3 687 B7R0.10 C[C@H](CO)N(C)C=O c4c1d9e89c0731cbc76ea32ef421fbca [0,2,0,0,0,0|1,0,0]=3 688 B7R0.11 C#CC(C)(C)NC=O eec20f4791fae3c1459af6a385ff52d7 [0,2,0,0,0,0|0,0,2]=4 689 B7R0.11 C#CC(C)(C)NCC 4e7a2dc62b6da47e4e55e15fbb84ccfc [0,2,0,0,0,0|1,0,1]=4 690 B7R0.11 CC(C)(C#N)NC=O bdc2e7f7dc73aab830e5294af0434498 [0,2,0,0,0,0|1,0,1]=4 691 B7R0.11 CC(C)(CF)NC=O ff7fc0b5fb780004ba739902f541960d [0,2,0,0,0,0|1,0,0]=3 692 B7R0.11 CC(C)(CO)NC=O b948c4623b1c99369aaa53f2724551dc [0,2,0,0,0,0|1,0,0]=3 693 B7R0.11 CCC(C)(C)NC=O 467bc47a116e7d37bf8e07bc1f187838 [0,2,0,0,0,0|0,0,0]=2 694 B7R0.11 CCC(C)(C)NCF 43464e32d81406c57eda8518b346c632 [0,2,0,0,0,0|1,0,1]=4 695 B7R0.11 CCC(C)(C)NCO 5370363c3b1f98f0757110805d0db933 [0,2,0,0,0,0|0,0,2]=4 696 B7R0.11 CCNC(C)(C)C#N a6aa7c2beec82958604a84b90bc324e8 [0,2,0,0,0,0|1,0,1]=4 697 B7R0.11 CCNC(C)(C)CC adae57986ab49a20b402c3b11b898ff8 [0,2,0,0,0,0|1,0,1]=4 698 B7R0.11 CCNC(C)(C)CF bb534d52eb5abb944f47ed497fecbe74 [0,2,0,0,0,0|1,0,1]=4 699 B7R0.11 CCNC(C)(C)CO cfe1036a3afdbdcb353cbcf66ecedd65 [0,2,0,0,0,0|0,0,2]=4 700 B7R0.12 C#CC(C=C)OCC 709b537a4e9a5b4501f9d5eca1f1cb34 [0,2,0,0,0,0|1,0,1]=4 701 B7R0.12 C#CC(CC)OCC 6abeb838fcea8b6a2cba4e33dc1c0f32 [0,2,0,0,0,0|1,0,1]=4 702 B7R0.12 C#CC(CC)OCF 8bef453312f7ac6f09d4b91d036d83cb [0,2,0,0,0,0|1,0,1]=4 703 B7R0.12 C=CC(C=C)OCC 7de0118a4df6b31edc8ac929ff93e6e2 [0,2,0,0,0,0|1,0,1]=4 704 B7R0.12 C=CC(CC)OCC 3384f4e6ac585bde2972dae19026fd2c [0,2,0,0,0,0|1,0,0]=3 705 B7R0.12 C=CC(CC)OCF ee733990df23ecaaae0d0e8a90e9d715 [0,2,0,0,0,0|1,0,0]=3 706 B7R0.12 C=C[C@@H](CO)NC=O 5d09ef4825c604a2efc4917c4ac324ba [0,2,0,0,0,0|0,0,2]=4 707 B7R0.12 C=C[C@@H](CO)NCC 2b9f74d6ae3c2b74c3cb02472da25462 [0,2,0,0,0,0|1,0,0]=3 708 B7R0.12 C=C[C@@H](CO)NCF 45f46d0e2d45b5ffe56c443ad856d301 [0,2,0,0,0,0|2,0,0]=4 709 B7R0.12 C=C[C@@H](CO)NCO d2fd6b67e1270056665850c4f76e47e8 [0,2,0,0,0,0|2,0,0]=4 710 B7R0.12 CCC(C#N)OCF c9ae646c0f0951391fec3ccfa891e7b4 [0,2,0,0,0,0|1,0,1]=4 711 B7R0.12 CCC(C=O)NC#N 8782a547e3cb0e5e449a7e26af3b8936 [0,2,0,0,0,0|0,0,1]=3 712 B7R0.12 CCC(CC)NC#N 656055097bc6f06330a152946e9b48af [0,2,0,0,0,0|1,0,1]=4 713 B7R0.12 CCC(CC)NC=O 4175bd0bc40e9e83245363507b336b46 [0,2,0,0,0,0|0,0,0]=2 714 B7R0.12 CCC(CC)NCF 3d9bfd0de6efff0c7eb71abdfe1f3338 [0,2,0,0,0,0|1,0,1]=4 715 B7R0.12 CCC(CC)NCO 63242e3a6c349fa4dc8099f989675ea6 [0,2,0,0,0,0|0,0,2]=4 716 B7R0.12 CCC(CC)OCF 636355b0b109acffc3ac81270024a401 [0,2,0,0,0,0|1,0,1]=4 717 B7R0.12 CCC(CO)NC#N cb7de5b96a5581c4dc7a1322b8ea92a1 [0,2,0,0,0,0|1,0,1]=4 718 B7R0.12 CCC(CO)NC=O 742cd9cb7df8523077fcd6bd9de1d480 [0,2,0,0,0,0|0,0,0]=2 719 B7R0.12 CCC(CO)NCF 78a0b6c825ca62e5f537e0313224ae30 [0,2,0,0,0,0|0,0,2]=4 720 B7R0.12 CCC(CO)NCO 3c794c1fdc16d6ba628977ba610b2f38 [0,2,0,0,0,0|0,0,2]=4 721 B7R0.12 CCCN(C=O)CC c9c4d92e42201b75307332d9c7692aa9 [0,2,0,0,0,0|1,0,0]=3 722 B7R0.12 CCN(C=O)CC#N 5144a4fd650d7585538e4f3d90f2669b [0,2,0,0,0,0|1,0,0]=3 723 B7R0.12 CCN(C=O)CCCl 03512ce3018e8845973ab6d439faef81 [0,2,0,0,0,0|1,0,0]=3 724 B7R0.12 CCN(C=O)CCO f06d113e63228ddd0fbad99b8e842127 [0,2,0,0,0,0|1,0,0]=3 725 B7R0.12 CCNC(CC)CC dd1a7011b4f855f8c1ad87e5ad908f9a [0,2,0,0,0,0|1,0,1]=4 726 B7R0.12 CCNC(CC)CO 69eb8cb0bab039daf9654224be723bd4 [0,2,0,0,0,0|0,0,2]=4 727 B7R0.12 CCNC(CO)CO c3e79c4c97ee2b42d70122fc2549f86f [0,2,0,0,0,0|0,0,2]=4 728 B7R0.12 CCN[C@@H](CC)CO 58754a8a804d698e6257db6bc4cb95b3 [0,2,0,0,0,0|0,0,2]=4 729 B7R0.12 CCN[C@H](CC)CO 5b608cb220323f541c9afa99df78f847 [0,2,0,0,0,0|0,0,2]=4 730 B7R0.12 CCOC(C#N)CC 7e047b05d0e19c947a2b74261d14c997 [0,2,0,0,0,0|1,0,1]=4 731 B7R0.12 CCOC(CBr)CBr d03e7afda2ca8d59d0335adb3716d943 [0,2,0,0,0,0|1,0,1]=4 732 B7R0.12 CCOC(CC)CC 60351d1ac9a51febe159ba00076742a6 [0,2,0,0,0,0|1,0,1]=4 733 B7R0.12 CCOC(CCl)CBr 76ba5a657a7ea572d523f589d344dc39 [0,2,0,0,0,0|1,0,1]=4 734 B7R0.12 CCOC(CCl)CCl ce294a182f4713785d493074caf459e2 [0,2,0,0,0,0|1,0,1]=4 735 B7R0.12 CCOC(CF)CF ce94a3a5b0a102e0773db6b18934a605 [0,2,0,0,0,0|1,0,1]=4 736 B7R0.12 CCO[C@@H](CCl)CI 960e9d223c1c4a6537b1692e0aa03922 [0,2,0,0,0,0|1,0,1]=4 737 B7R0.12 CCO[C@H](CCl)CI eaef576ad3d7bec19924ce3c27aa4ce5 [0,2,0,0,0,0|1,0,1]=4 738 B7R0.12 CC[C@@H](CO)NC=O 637c953e48cb45b4be088640a9f26fb2 [0,2,0,0,0,0|0,0,0]=2 739 B7R0.12 CC[C@@H](CO)NCF 839ec889c8fe0848d31935b9dbdfcd38 [0,2,0,0,0,0|0,0,2]=4 740 B7R0.12 CC[C@@H](CO)NCO c3ea7a2fb8cac1d4f9b9352f27d46e24 [0,2,0,0,0,0|0,0,2]=4 741 B7R0.12 CC[C@H](CO)NC=O c5c2fc5e70a5e94955887b0f6db6a1a2 [0,2,0,0,0,0|0,0,0]=2 742 B7R0.12 CC[C@H](CO)NCF f04a8d368ea68193b9688c8e4f4f4f35 [0,2,0,0,0,0|0,0,2]=4 743 B7R0.12 CC[C@H](CO)NCO 31d6dbcb1b8a1065d54c94ad93fd2f0d [0,2,0,0,0,0|0,0,2]=4 744 B7R0.12 O=CN(CO)CCO 04adc48d7b0506cc852e54ed640113a1 [0,2,0,0,0,0|1,0,0]=3 745 B7R0.12 O=CNC(CO)CO cf9304986c9a1419edf6773dbe4f0207 [0,2,0,0,0,0|1,0,0]=3 746 B7R0.15 CCN(C=O)C(C)C 86649df767a092150d1d82b73f12f48f [0,2,0,0,0,0|1,0,0]=3 747 B7R0.16 CC(=O)N(C)C(C)C 68e786e7c5c4f60e8b7c36108316ab9e [0,2,0,0,0,0|1,0,0]=3 748 B7R1.1 CCN1CC=CC1 6c4c19a4974c3e71b2e06f869bc9eb5b [0,1,0,1,0,0|2,0,0]=4 749 B7R1.1 O=CN1CC=CC1 00c83ff9220e787a4c487ae8b9d72ecb [0,1,0,1,0,0|1,0,1]=4 750 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [0,1,0,1,0,0|1,0,0]=3 751 B7R1.5 CC1CC1NC=O 11d2e4098455fa895a61be5d2e846089 [0,1,0,1,0,0|0,0,0]=2 752 B7R1.5 CC1CC1NCF a80d6604729f7f2bce9bccef0f1b4434 [0,1,0,1,0,0|1,0,1]=4 753 B7R1.5 CC1CC1NCO d401c45702bc5f310a419d102b35b78c [0,1,0,1,0,0|0,0,2]=4 754 B7R1.5 CCNC1CC1C f508b0aca7d0eee090ca628f208f8e9f [0,1,0,1,0,0|1,0,1]=4 755 B7R1.5 CCN[C@@H]1C[C@H]1F a9ed78f8f4d6551b032eaf6c64ed3753 [0,1,0,1,0,0|1,0,1]=4 756 B7R1.5 CCN[C@H]1C[C@@H]1F c6b3e7162a2649713fb720ae5883a3e7 [0,1,0,1,0,0|1,0,1]=4 757 B7R1.5 CCN[C@H]1C[C@H]1F f495a57898c13a33e7cadc888da3307f [0,1,0,1,0,0|1,0,1]=4 758 B7R1.6 C=CCN1CCC1 e2cc8c962668cfacc8166017adc3ac9b [0,1,0,1,0,0|2,0,0]=4 759 B7R1.6 CCNC1CCC1 70dad6b0302b94a460da5136f772c3a8 [0,1,0,1,0,0|1,0,1]=4 760 B7R1.6 CCNC1COC1 43258951421d9554a9c394ad23b1cfb7 [0,1,0,1,0,0|0,0,2]=4 761 B7R1.6 CCOC1CCC1 1be1aa1621ba0b71d53802beb6ef9946 [0,1,0,1,0,0|1,0,1]=4 762 B7R1.6 CCOC1COC1 5ee51175a5d1fbea3fd7b3b34e98d1ce [0,1,0,1,0,0|0,0,2]=4 763 B7R1.6 CCOC1CSC1 e43094097e190583d3451ab95271420f [0,1,0,1,0,0|0,1,1]=4 764 B7R1.6 FCNC1CCC1 0b3b99e19517ff72296b77b01d86ca54 [0,1,0,1,0,0|1,0,1]=4 765 B7R1.6 FCOC1CCC1 9e1f264b6931548d5472d7bf95e89d96 [0,1,0,1,0,0|1,0,1]=4 766 B7R1.6 N#CNC1CCC1 df21ae79cac4678f13f10027af64cd57 [0,1,0,1,0,0|1,0,1]=4 767 B7R1.6 O=CCN1CCC1 c2093fa3a09c779905e30743087db6d6 [0,1,0,1,0,0|1,0,0]=3 768 B7R1.6 O=CNC1COC1 910edb395eecbce8af210d974d8d054c [0,1,0,1,0,0|1,0,0]=3 769 B7R1.6 OCNC1CCC1 8514f35646cacb22efc5d7fadc2f3b2f [0,1,0,1,0,0|0,0,2]=4 770 B7R1.10 O=CN1CC(C1)F 10673579aa5b90bc9fa1305ce11b0f6e [0,1,0,1,0,0|1,0,0]=3 771 B7R1.10 O=CN1CC(C1)O c56a5fb25f079a78b4196509b3241e16 [0,1,0,1,0,0|1,0,0]=3 772 B7R1.21 CC1(CC1)NC=O 07b8dc5a3dd0a56dffd330aa7b75c69f [0,1,0,1,0,0|0,0,0]=2 773 B7R1.21 CC1(CC1)NCF ca95094546b9f047a7e9abc6602efda5 [0,1,0,1,0,0|1,0,1]=4 774 B7R1.21 CC1(CC1)NCO 531fb08d002be0f82ba9f2a9eeb36d37 [0,1,0,1,0,0|0,0,2]=4 775 B7R1.21 CCNC1(CC1)C 49ee171fcc771c5e16d08c11c421eefd [0,1,0,1,0,0|1,0,1]=4 776 B7R1.22 CN(C=O)C1CC1 928f5a4e3607cba3f0183c684f92be70 [0,1,0,1,0,0|1,0,0]=3 777 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [0,1,0,1,0,0|1,0,0]=3 778 B7R1.23 CC1(CN1C=O)C 554667b638ac8d632390465d91f13ad0 [0,1,0,1,0,0|1,0,0]=3