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788c44cbb46959d6943b8cac1e896fa7 [0,2,0,0,0,0|1,0,1]=4 14 B6R0.1 C#CC(C)OCF 49e9b130a26815265491d4c3a424ec61 [0,2,0,0,0,0|1,0,1]=4 15 B6R0.1 C#CCN(C)C=O ddfa5ba776054c2a7c5ce6a0cde7a3ee [0,2,0,0,0,0|1,0,0]=3 16 B6R0.1 C#C[C@@H](C)NC=O 4fee702505a1fdefb270b5b6e9eb7aa3 [0,2,0,0,0,0|0,0,1]=3 17 B6R0.1 C#C[C@@H](C)NCC 500769c3a32c8a4fe4bacf70b2bb6f30 [0,2,0,0,0,0|1,0,1]=4 18 B6R0.1 C#C[C@@H](C)NCF d903cf47df658ea1d98269383cb3d315 [0,2,0,0,0,0|1,0,1]=4 19 B6R0.1 C#C[C@@H](C)NCO 126db25e0e4cf6691fb1b82389d3a95e [0,2,0,0,0,0|1,0,1]=4 20 B6R0.1 C#C[C@@H](C)OCC c7465ab1da07bbdf42877ee57642c1cd [0,2,0,0,0,0|1,0,1]=4 21 B6R0.1 C#C[C@@H](C)OCF 84c9a69113565387c92718924a808d76 [0,2,0,0,0,0|1,0,1]=4 22 B6R0.1 C#C[C@H](C)NC=O 55f7e717dc246fc1c154a9332387447d [0,2,0,0,0,0|0,0,1]=3 23 B6R0.1 C#C[C@H](C)NCC 996961b9a4ddcbb2cfb9dcd81ac9d63f [0,2,0,0,0,0|1,0,1]=4 24 B6R0.1 C#C[C@H](C)NCF f03102ed4263cb5dbc188dbc384a5e8f [0,2,0,0,0,0|1,0,1]=4 25 B6R0.1 C#C[C@H](C)NCO debd11bbb9ca9c2de8c9f91e833e2b10 [0,2,0,0,0,0|1,0,1]=4 26 B6R0.1 C#C[C@H](C)OCC e1b8dec53e104261dd95078ad7e6d539 [0,2,0,0,0,0|1,0,1]=4 27 B6R0.1 C#C[C@H](C)OCF 8667845c9da8dd8e24b1d3a8f6a93aa8 [0,2,0,0,0,0|1,0,1]=4 28 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,2,0,0,0,0|0,0,2]=4 29 B6R0.1 C=C(C=O)OCF d1643e67cfe1838c4e32b694bc3648e2 [0,2,0,0,0,0|0,0,2]=4 30 B6R0.1 C=CC(C)NC#N 2a7109b4baa8d6cba377db19db0fc72f [0,2,0,0,0,0|1,0,1]=4 31 B6R0.1 C=CC(C)NC=O ea3bd8a0f1437d84f5ea96318c16e9bd [0,2,0,0,0,0|0,0,1]=3 32 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [0,2,0,0,0,0|1,0,0]=3 33 B6R0.1 C=CC(C)NCF fcb68bb0ad98322ede2090ffb8982d5c [0,2,0,0,0,0|1,0,0]=3 34 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [0,2,0,0,0,0|1,0,0]=3 35 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [0,2,0,0,0,0|1,0,0]=3 36 B6R0.1 C=CC(C)OCF 703d6773683044b537087d8c1dd5b1e2 [0,2,0,0,0,0|1,0,0]=3 37 B6R0.1 C=CCN(C)C=O 45f12923080415e1dfc85b1fcae28d16 [0,2,0,0,0,0|1,0,0]=3 38 B6R0.1 C=CCN(C)CC 66590de6b708bb2b2b2945a656dd0b8f [0,2,0,0,0,0|2,0,0]=4 39 B6R0.1 C=CCN(C)CF 7e02e3a96da7141f47b832fca75c32a8 [0,2,0,0,0,0|2,0,0]=4 40 B6R0.1 C=CCN(C)CO e638b434bf874996eb81f2689695f38f [0,2,0,0,0,0|2,0,0]=4 41 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [0,2,0,0,0,0|1,0,0]=3 42 B6R0.1 C=C[C@H](C)OCF c364441950765d3e5b6d38d7dfe0e6ea [0,2,0,0,0,0|1,0,0]=3 43 B6R0.1 CC(C#N)NC=O bab971dbe2c7155864d30c197f73349b [0,2,0,0,0,0|0,0,1]=3 44 B6R0.1 CC(C#N)NCF b8014a86217c2b8a6f13da005da0a028 [0,2,0,0,0,0|1,0,1]=4 45 B6R0.1 CC(C#N)NCO b7d0900ad4a8bef1fe42d0e02db02103 [0,2,0,0,0,0|1,0,1]=4 46 B6R0.1 CC(C=O)NC#N 4334a96823d7b333d7c55841b70479fe [0,2,0,0,0,0|0,0,1]=3 47 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [0,2,0,0,0,0|0,0,0]=2 48 B6R0.1 CC(CF)OCF 32adde0cda0df7ca13f616d81360f718 [0,2,0,0,0,0|1,0,1]=4 49 B6R0.1 CC(CO)NC#N b6bfa3976d2a6a9619606ed55bd1d96b [0,2,0,0,0,0|1,0,1]=4 50 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [0,2,0,0,0,0|0,0,0]=2 51 B6R0.1 CC(CO)NCF ab7f612930dc9a706824818dda371d27 [0,2,0,0,0,0|0,0,2]=4 52 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [0,2,0,0,0,0|0,0,2]=4 53 B6R0.1 CC(CS)OCF 3aa76e588b94fa8c0abffd230ad3c80a [0,2,0,0,0,0|0,1,1]=4 54 B6R0.1 CCC(C)NC#N c755bc17a86225b89fbcb7b323cbfbb8 [0,2,0,0,0,0|1,0,1]=4 55 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [0,2,0,0,0,0|0,0,0]=2 56 B6R0.1 CCC(C)NCF cd789606d14d277b4095dc11d6d1f629 [0,2,0,0,0,0|1,0,1]=4 57 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [0,2,0,0,0,0|0,0,2]=4 58 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [0,2,0,0,0,0|1,0,1]=4 59 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,2,0,0,0,0|1,0,0]=3 60 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [0,2,0,0,0,0|1,0,0]=3 61 B6R0.1 CCNC(C)C#N c11bb97931a96bb8667e2c19bb27e47b [0,2,0,0,0,0|1,0,1]=4 62 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [0,2,0,0,0,0|1,0,1]=4 63 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [0,2,0,0,0,0|0,0,2]=4 64 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [0,2,0,0,0,0|1,0,1]=4 65 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [0,2,0,0,0,0|0,0,2]=4 66 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [0,2,0,0,0,0|1,0,1]=4 67 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [0,2,0,0,0,0|0,0,2]=4 68 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,2,0,0,0,0|0,0,0]=2 69 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [0,2,0,0,0,0|1,0,1]=4 70 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [0,2,0,0,0,0|1,0,1]=4 71 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [0,2,0,0,0,0|0,1,1]=4 72 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [0,2,0,0,0,0|1,0,1]=4 73 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [0,2,0,0,0,0|1,0,1]=4 74 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [0,2,0,0,0,0|0,1,1]=4 75 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [0,2,0,0,0,0|0,0,0]=2 76 B6R0.1 CC[C@@H](C)NCF 6dbb95a50e3976893bdb1627db012fbb [0,2,0,0,0,0|1,0,1]=4 77 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [0,2,0,0,0,0|0,0,2]=4 78 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [0,2,0,0,0,0|1,0,1]=4 79 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [0,2,0,0,0,0|0,0,0]=2 80 B6R0.1 CC[C@H](C)NCF 5d430afc33b47de08bdee5a967987e85 [0,2,0,0,0,0|1,0,1]=4 81 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [0,2,0,0,0,0|0,0,2]=4 82 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [0,2,0,0,0,0|1,0,1]=4 83 B6R0.1 CN(C=O)CC#N a7a395c841bf1c778a7b432155652f5f [0,2,0,0,0,0|1,0,0]=3 84 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [0,2,0,0,0,0|1,0,0]=3 85 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,2,0,0,0,0|1,0,0]=3 86 B6R0.1 C[C@@H](CO)NC#N 139f5cc18c10fce938a3acd4b6e91304 [0,2,0,0,0,0|1,0,1]=4 87 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [0,2,0,0,0,0|0,0,0]=2 88 B6R0.1 C[C@@H](CO)NCF 2b92b0d94fc310efd060ea85fc1ec030 [0,2,0,0,0,0|0,0,2]=4 89 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [0,2,0,0,0,0|0,0,2]=4 90 B6R0.1 C[C@H](C=O)NC#N 561b679827239db41a575e4f622826ae [0,2,0,0,0,0|0,0,1]=3 91 B6R0.1 C[C@H](CO)NC#N 169e9f99802281ff5010262eba8da425 [0,2,0,0,0,0|1,0,1]=4 92 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [0,2,0,0,0,0|0,0,0]=2 93 B6R0.1 C[C@H](CO)NCF 769b646e43e30d6b70ca628125c680bc [0,2,0,0,0,0|0,0,2]=4 94 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [0,2,0,0,0,0|0,0,2]=4 95 B6R0.1 C[C@H](CS)OCF db899319a56836cd7d73603a0da16225 [0,2,0,0,0,0|0,1,1]=4 96 B6R0.2 CC(C)OC(C)C ca12c9680239690a47d96d71519e9e05 [0,2,0,0,0,0|1,0,1]=4 97 B6R0.3 CC(C)N(C)C=O ed819c6af0078a1de69f07f4fd8d9ee5 [0,2,0,0,0,0|0,0,0]=2 98 B6R0.3 CC(C)N(C)CF d3c40e8bfc08dfa1b44a8a87aef31e93 [0,2,0,0,0,0|1,0,1]=4 99 B6R0.3 CC(C)N(C)CO 68aaa92996932618c2ea955d854bb5c7 [0,2,0,0,0,0|0,0,2]=4 100 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,2,0,0,0,0|1,0,0]=3 101 B6R0.3 CCN(C)C(C)C 515b7690a64e89945d29d623804849df [0,2,0,0,0,0|1,0,1]=4 102 B6R0.4 C#CCNC(C)C cd1408fc1dae47155e40a1bc6beb1606 [0,2,0,0,0,0|1,0,1]=4 103 B6R0.4 C#CCOC(C)C f06fe85c789040b5be09600decc77ea1 [0,2,0,0,0,0|1,0,1]=4 104 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [0,2,0,0,0,0|0,0,2]=4 105 B6R0.4 C=CCOC(C)C 041109637968f56803a7bcb6b6bd0ab7 [0,2,0,0,0,0|1,0,0]=3 106 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,2,0,0,0,0|1,0,1]=4 107 B6R0.4 CC(C)CNC#N 4669aa11e322ca513b1e9ea16868c159 [0,2,0,0,0,0|1,0,1]=4 108 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [0,2,0,0,0,0|0,0,0]=2 109 B6R0.4 CC(C)CNCF 8978b44d87fa42438515590def89eb79 [0,2,0,0,0,0|1,0,1]=4 110 B6R0.4 CC(C)CNCO c3b5fde83cdd81c2f0ea167064fd2c5c [0,2,0,0,0,0|0,0,2]=4 111 B6R0.4 CC(C)COCF b089fa536e65fca20df885ea5dacd9f2 [0,2,0,0,0,0|0,0,2]=4 112 B6R0.4 CC(C)NCC#N 8d9c5f2bbdfd2e60c34ddc5972663be0 [0,2,0,0,0,0|1,0,1]=4 113 B6R0.4 CC(C)NCCBr a3900e505497b08f4c9baca17b4fa185 [0,2,0,0,0,0|1,0,1]=4 114 B6R0.4 CC(C)NCCF 3152aefd56bd5a8bc9f6ac7f33a6fcdb [0,2,0,0,0,0|1,0,1]=4 115 B6R0.4 CC(C)NCCI 61300b723cb63b92262a59e1c054336d [0,2,0,0,0,0|1,0,1]=4 116 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [0,2,0,0,0,0|0,0,2]=4 117 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [0,2,0,0,0,0|0,1,1]=4 118 B6R0.4 CC(C)OCC#N 1be7e1885bd3670d21ecc2d4422857b0 [0,2,0,0,0,0|1,0,1]=4 119 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [0,2,0,0,0,0|0,0,0]=2 120 B6R0.4 CC(C)OCCF 102209588400e8045c1b7317560b3baf [0,2,0,0,0,0|1,0,1]=4 121 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [0,2,0,0,0,0|0,1,1]=4 122 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [0,2,0,0,0,0|1,0,0]=3 123 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [0,2,0,0,0,0|1,0,1]=4 124 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [0,2,0,0,0,0|1,0,1]=4 125 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [0,2,0,0,0,0|1,0,1]=4 126 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [0,2,0,0,0,0|0,0,2]=4 127 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [0,2,0,0,0,0|0,0,2]=4 128 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [0,2,0,0,0,0|0,1,1]=4 129 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [0,2,0,0,0,0|1,0,0]=3 130 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [0,2,0,0,0,0|1,0,0]=3 131 B6R0.4 O=CNCC(F)F b205fb0d823ccdf5423d257101ba187a [0,2,0,0,0,0|2,0,0]=4 132 B6R0.5 CC(C)(C)NC=O fd731f01e449e88bdf1e84dfcee6c8d2 [0,2,0,0,0,0|0,0,0]=2 133 B6R0.5 CC(C)(C)NCF 3cacbed1609b720894d3f72aa5b5474f [0,2,0,0,0,0|1,0,1]=4 134 B6R0.5 CC(C)(C)NCO 98c610d421d69102d9fd33b99f13912a [0,2,0,0,0,0|0,0,2]=4 135 B6R0.5 CCNC(C)(C)C 075494290386c2ca265fcbc967febc26 [0,2,0,0,0,0|1,0,1]=4 136 B6R1.3 CCNC1CC1 ac3981af76d7269974e900b3cfc5de71 [0,1,0,1,0,0|1,0,1]=4 137 B6R1.3 CCOC1CC1 2c69a519fd7808244f9f88e8c40da7c1 [0,1,0,1,0,0|1,0,1]=4 138 B6R1.3 FCNC1CC1 1715feed97cb051cb760323cf608febe [0,1,0,1,0,0|1,0,1]=4 139 B6R1.3 FCOC1CC1 c80b7a723f6ace17df2859b2130f1eb6 [0,1,0,1,0,0|1,0,1]=4 140 B6R1.3 N#CNC1CC1 e16d88e60b8af9226032f06df181743e [0,1,0,1,0,0|1,0,1]=4 141 B6R1.3 O=CNC1CC1 8f8618d92d234287e5df05f6330bfc1f [0,1,0,1,0,0|0,0,0]=2 142 B6R1.3 OCNC1CC1 101960c0f522708da07270474b234f44 [0,1,0,1,0,0|0,0,2]=4 143 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [0,1,0,1,0,0|1,0,0]=3