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C[C@H](OCF)C(=O)N cc20e1724629715f568aafa6de2ccb26 [0,0,0,0,0,0|3,0,0]=3 62 B7R0.5 C[C@H](OCF)C(=O)O 3b1dcb29a34b79a18541896ae618cad0 [0,0,0,0,0,0|2,0,0]=2 63 B7R0.5 O=C(O)C(O)NCF debbdbf9e1d3d8838357ca1b62835c9a [0,0,0,0,0,0|3,0,0]=3 64 B7R0.5 O=C(O)C(O)NCO 6aca03582d286fba98508921a1d70ae3 [0,0,0,0,0,0|3,0,0]=3 65 B6R0.1 C#CC(C)NCC 85cc62c068fe8347941753880600425b [1,0,0,0,0,0|2,0,1]=4 66 B6R0.1 C#CC(C)OCC 788c44cbb46959d6943b8cac1e896fa7 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.1 C#CCN(C)C=O ddfa5ba776054c2a7c5ce6a0cde7a3ee [1,0,0,0,0,0|1,0,2]=4 68 B6R0.1 C#C[C@@H](C)NCC 500769c3a32c8a4fe4bacf70b2bb6f30 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.1 C#C[C@@H](C)OCC c7465ab1da07bbdf42877ee57642c1cd [1,0,0,0,0,0|2,0,1]=4 70 B6R0.1 C#C[C@H](C)NCC 996961b9a4ddcbb2cfb9dcd81ac9d63f [1,0,0,0,0,0|2,0,1]=4 71 B6R0.1 C#C[C@H](C)OCC e1b8dec53e104261dd95078ad7e6d539 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [1,0,0,0,0,0|1,0,2]=4 73 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [1,0,0,0,0,0|2,0,0]=3 74 B6R0.1 C=CC(C)NCF fcb68bb0ad98322ede2090ffb8982d5c [1,0,0,0,0,0|3,0,0]=4 75 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [1,0,0,0,0,0|3,0,0]=4 76 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [1,0,0,0,0,0|2,0,0]=3 77 B6R0.1 C=CC(C)OCF 703d6773683044b537087d8c1dd5b1e2 [1,0,0,0,0,0|3,0,0]=4 78 B6R0.1 C=CCN(C)C=O 45f12923080415e1dfc85b1fcae28d16 [1,0,0,0,0,0|1,0,2]=4 79 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [1,0,0,0,0,0|2,0,0]=3 80 B6R0.1 C=C[C@H](C)OCF c364441950765d3e5b6d38d7dfe0e6ea [1,0,0,0,0,0|3,0,0]=4 81 B6R0.1 CC(C=O)NC#N 4334a96823d7b333d7c55841b70479fe [1,0,0,0,0,0|2,0,1]=4 82 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [1,0,0,0,0,0|2,0,0]=3 83 B6R0.1 CC(CO)NCF ab7f612930dc9a706824818dda371d27 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [1,0,0,0,0,0|1,0,0]=2 86 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [1,0,0,0,0,0|2,0,1]=4 87 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [1,0,0,0,0,0|1,0,1]=3 89 B6R0.1 CCNC(C)C#N c11bb97931a96bb8667e2c19bb27e47b [1,0,0,0,0,0|2,0,1]=4 90 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [1,0,0,0,0,0|1,0,1]=3 92 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [1,0,0,0,0,0|2,0,1]=4 93 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [1,0,0,0,0,0|1,0,1]=3 94 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [1,0,0,0,0,0|1,0,1]=3 96 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [1,0,0,0,0,0|1,0,0]=2 97 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [1,0,0,0,0,0|2,0,1]=4 98 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [1,0,0,0,0,0|2,0,1]=4 99 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [1,0,0,0,0,0|1,1,1]=4 100 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [1,0,0,0,0,0|2,0,1]=4 101 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [1,0,0,0,0,0|2,0,1]=4 102 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [1,0,0,0,0,0|1,1,1]=4 103 B6R0.1 CN(C=O)CC#N a7a395c841bf1c778a7b432155652f5f [1,0,0,0,0,0|2,0,1]=4 104 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [1,0,0,0,0,0|2,0,0]=3 105 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [1,0,0,0,0,0|2,0,0]=3 106 B6R0.1 CN(CO)CCF e5dd1ecfdd1f28e155abf2012a360c21 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.1 CN(CO)CCO 54f662b94257417f82a22aa2c84d65c3 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.1 C[C@@H](CO)NCF 2b92b0d94fc310efd060ea85fc1ec030 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [1,0,0,0,0,0|2,0,1]=4 110 B6R0.1 C[C@H](C=O)NC#N 561b679827239db41a575e4f622826ae [1,0,0,0,0,0|2,0,1]=4 111 B6R0.1 C[C@H](CO)NCF 769b646e43e30d6b70ca628125c680bc [1,0,0,0,0,0|2,0,1]=4 112 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [1,0,0,0,0,0|2,0,1]=4 113 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [1,0,0,0,0,0|2,0,0]=3 114 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [1,0,0,0,0,0|3,0,0]=4 115 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,0,0,0,0,0|3,0,0]=4 117 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,0,0,0,0,0|3,0,0]=4 118 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [1,0,0,0,0,0|3,0,0]=4 120 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [1,0,0,0,0,0|3,0,0]=4 121 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [1,0,0,0,0,0|3,0,0]=4 122 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,0,0,0,0,0|3,0,0]=4 123 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [1,0,0,0,0,0|3,0,0]=4 124 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [1,0,0,0,0,0|3,0,0]=4 125 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [1,0,0,0,0,0|3,0,0]=4 126 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [1,0,0,0,0,0|3,0,0]=4 127 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,0,0,0,0,0|3,0,0]=4 128 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [1,0,0,0,0,0|3,0,0]=4 129 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,0,0,0,0,0|2,0,0]=3 130 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,0,0,0,0,0|2,0,0]=3 131 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,0,0,0,0,0|2,0,0]=3 132 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,0,0,0,0,0|1,0,0]=2 133 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,0,0,0,0,0|2,0,0]=3 137 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,0,0,0,0,0|2,0,0]=3 138 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,0,0,0,0,0|1,0,0]=2 139 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [1,0,0,0,0,0|2,1,0]=4 140 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,0,0,0,0,0|2,0,0]=3 141 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [1,0,0,0,0,0|3,0,0]=4 143 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [1,0,0,0,0,0|3,0,0]=4 144 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [1,0,0,0,0,0|3,0,0]=4 145 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [1,0,0,0,0,0|2,0,0]=3 146 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [1,0,0,0,0,0|2,0,0]=3 147 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [1,0,0,0,0,0|2,0,0]=3 148 B6R0.4 O=S(O)COCF bc49b5a9355facf362625f551c5693d0 [1,0,0,0,0,0|3,0,0]=4 149 B8R0.2 CC(=O)N(C)C(C)CO 954909c32608c887b20279d0f2f3780c [0,1,0,0,0,0|3,0,0]=4 150 B8R0.2 CC(=O)N(C)[C@@H](C)CO 225dc8a4ffcea4cd61a90a38a4080118 [0,1,0,0,0,0|3,0,0]=4 151 B8R0.2 CC(=O)N(C)[C@H](C)CO de33b62e9836c68164793809e4e8e5b1 [0,1,0,0,0,0|3,0,0]=4 152 B8R0.2 CC(C(=O)N)N(C)CF 3c3f87bed206a80640b27644de62b85a [0,1,0,0,0,0|3,0,0]=4 153 B8R0.2 CC(C(=O)N)N(C)CO ae4ba5bba1f3ebfc5e18a030b582da9e [0,1,0,0,0,0|3,0,0]=4 154 B8R0.2 CC(C(=O)O)N(C)CF a3094bf427f297ebd8902941068ac9f2 [0,1,0,0,0,0|2,0,0]=3 155 B8R0.2 CC(C(=O)O)N(C)CO b0a7b81e88a446de30ff43a7aa3ff0e5 [0,1,0,0,0,0|2,0,0]=3 156 B8R0.2 CCC(C)N(C)C(=O)C 086f7eb815f719734067083abba6aada [0,1,0,0,0,0|2,0,0]=3 157 B8R0.2 CCN(C)C(C)C(=O)C b0aebe8e13e2528b49b039e15b578c7c [0,1,0,0,0,0|2,0,0]=3 158 B8R0.2 CCN(C)C(C)C(=O)N c9d5fe87f550d78b666f9d69e7149698 [0,1,0,0,0,0|2,0,0]=3 159 B8R0.2 CCN(C)C(C)C(=O)O 6f2a7033474106426aec9bd9ed3b37aa [0,1,0,0,0,0|1,0,0]=2 160 B8R0.2 CCN(C)C(C)C(=S)N 8c98954ac4fb316d45fe3a223278fa1a [0,1,0,0,0,0|2,1,0]=4 161 B8R0.2 CCN(C)C(F)C(=O)N 38943317264fb5f4bb1b8ecb07aa912e [0,1,0,0,0,0|3,0,0]=4 162 B8R0.2 CCN(C)[C@@H](C)C(=O)N e92486f9a20f42ba27598bb897bbfb89 [0,1,0,0,0,0|2,0,0]=3 163 B8R0.2 CCN(C)[C@@H](C)C(=O)O ccda40b7947e3ec868172b2d11a39e32 [0,1,0,0,0,0|1,0,0]=2 164 B8R0.2 CCN(C)[C@H](C)C(=O)N 00061aa619b17a93e01c3e5051412b52 [0,1,0,0,0,0|2,0,0]=3 165 B8R0.2 CCN(C)[C@H](C)C(=O)O a423cd91a719c568f85e9128b6162ae1 [0,1,0,0,0,0|1,0,0]=2 166 B8R0.2 C[C@@H](C(=O)N)N(C)CF 2f40c584e866979365837219f15e6868 [0,1,0,0,0,0|3,0,0]=4 167 B8R0.2 C[C@@H](C(=O)N)N(C)CO 3a3fef6cb3764aa486ea0f1fb8393e88 [0,1,0,0,0,0|3,0,0]=4 168 B8R0.2 C[C@@H](C(=O)O)N(C)CF 0d6ed7ad4ea7484d5b39a392e405ff32 [0,1,0,0,0,0|2,0,0]=3 169 B8R0.2 C[C@@H](C(=O)O)N(C)CO c3f75a694235527c6388e6d7e2f17c01 [0,1,0,0,0,0|2,0,0]=3 170 B8R0.2 C[C@H](C(=O)O)N(C)CF 61c68bea78cdcd7c2b85cec5a91e35a8 [0,1,0,0,0,0|2,0,0]=3 171 B8R0.2 C[C@H](C(=O)O)N(C)CO 5d794c52438840dfb85878a5327b44ff [0,1,0,0,0,0|2,0,0]=3 172 B8R0.3 C#CC(=O)N(C)CCC e31f79932e58626d6b59443bb0ca318b [0,1,0,0,0,0|2,0,0]=3 173 B8R0.3 C#CC(=O)N(C)CCF d6e1b0c65a8b22a8b23dedc12cae9633 [0,1,0,0,0,0|3,0,0]=4 174 B8R0.3 C#CC(=O)N(C)CCO 507f094ff6eae45efef37994e19c331a [0,1,0,0,0,0|3,0,0]=4 175 B8R0.3 C#CCN(C)C(=O)CO aa9633bc0cf19afbfa6f6178bb468ce9 [0,1,0,0,0,0|1,0,2]=4 176 B8R0.3 C=CC(=O)N(C)CCC f05c81ec6e4b8b88c210d66f3d63ec26 [0,1,0,0,0,0|2,0,0]=3 177 B8R0.3 C=CC(=O)N(C)CCF b16d2ea003d5b2c85b6c28e1501fbd65 [0,1,0,0,0,0|3,0,0]=4 178 B8R0.3 C=CC(=O)N(C)CCO 8f82665d433f37172e45b06c716f6150 [0,1,0,0,0,0|3,0,0]=4 179 B8R0.3 C=CCN(C)C(=O)CO a722095437cf1308eaaefa408cf9d5fa [0,1,0,0,0,0|1,0,2]=4 180 B8R0.3 CC(CCO)N(C)C=O 5555bcf9461e7743273bcd7e0352a154 [0,1,0,0,0,0|3,0,0]=4 181 B8R0.3 CC(CCO)N(C)CO dfc2a34852129d44194b0c77031219a0 [0,1,0,0,0,0|3,0,0]=4 182 B8R0.3 CCC(=O)N(C)CCF 318a2530a556961418490c44b6c90fdd [0,1,0,0,0,0|3,0,0]=4 183 B8R0.3 CCC(=O)N(C)CCO e0dd9f4a6beab4473ee465efb09f2b8e [0,1,0,0,0,0|3,0,0]=4 184 B8R0.3 CCCC(C)N(C)CC 6499897a93030fa97deb05cc92a0b8e3 [0,1,0,0,0,0|3,0,0]=4 185 B8R0.3 CCCN(C)C(=O)C=O ae9046810fc57b836f1225fb4fa409a0 [0,1,0,0,0,0|1,0,1]=3 186 B8R0.3 CCCN(C)C(=O)CC ad1ab8a0f5c07e6ab73ee22aeb9c71a9 [0,1,0,0,0,0|2,0,0]=3 187 B8R0.3 CCCN(C)C(=O)CF 080c0d4ce746cadf5e3f0d9a56835299 [0,1,0,0,0,0|2,0,0]=3 188 B8R0.3 CCCN(C)C(=O)CO daa5d896fade5a1be51c39257fa3d5b8 [0,1,0,0,0,0|1,0,0]=2 189 B8R0.3 CCCN(C)C(=O)CS bcfb0bbfdb716f32aeb6ae13debe4701 [0,1,0,0,0,0|1,1,0]=3 190 B8R0.3 CCCN(C)C(C)C=O e6473a1a6d02a5e82b6c038acd576da0 [0,1,0,0,0,0|2,0,1]=4 191 B8R0.3 CCCN(C)C(C)CO 8beda8059033dea1a0c2a56f23876ffd [0,1,0,0,0,0|2,0,1]=4 192 B8R0.3 CCCN(C)[C@@H](C)CO ea309c3d5effa1e0573b19703dee4a64 [0,1,0,0,0,0|2,0,1]=4 193 B8R0.3 CCCN(C)[C@H](C)C=O 3790552277429781db5f53610a8878f0 [0,1,0,0,0,0|2,0,1]=4 194 B8R0.3 CCCN(C)[C@H](C)CO db553edf061f0eb78c1b59d7ccaebc82 [0,1,0,0,0,0|2,0,1]=4 195 B8R0.3 CCNC(C)C(=O)NC 54efcfcba9f244b93d368cc4afd291fa [0,1,0,0,0,0|2,0,0]=3 196 B8R0.3 CCOC(C)C(=O)OC 80e77c6690e50b9ea6c936f76ec2b497 [0,1,0,0,0,0|1,0,0]=2 197 B8R0.3 CCOC(C)C(C)OC 9c4f80364c61bd6b6d6dccb09e64f357 [0,1,0,0,0,0|2,0,1]=4 198 B8R0.3 CCO[C@@H](C)C(=O)OC 0a1ea57ffacb6be3b6716af86dc8a3ee [0,1,0,0,0,0|1,0,0]=2 199 B8R0.3 CCO[C@H](C)C(=O)OC e42a135486ef83da240a803941dd4003 [0,1,0,0,0,0|1,0,0]=2 200 B8R0.3 CN(CC#N)C(=O)CO a0b3a74918d32d735c9368aab018b96f [0,1,0,0,0,0|2,0,1]=4 201 B8R0.3 CN(CCF)C(=O)C=O 2d4d6c036bfaae5cf5ff4b8af5585f86 [0,1,0,0,0,0|2,0,1]=4 202 B8R0.3 CN(CCF)C(=O)CF 35c532d814bbb3a47d3ee2db2b778162 [0,1,0,0,0,0|3,0,0]=4 203 B8R0.3 CN(CCF)C(=O)CO ddf97572daeb555520ada3a08ed124af [0,1,0,0,0,0|2,0,0]=3 204 B8R0.3 CN(CCF)C(=O)CS cb4353eb02a664ba7768514381ab8f5f [0,1,0,0,0,0|2,1,0]=4 205 B8R0.3 CN(CCO)C(=O)C=O c424f369a46eb37de0e242add0fa3921 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.3 CN(CCO)C(=O)CF 8eee296041fdc56c535d63fb7b27b7a2 [0,1,0,0,0,0|3,0,0]=4 207 B8R0.3 CN(CCO)C(=O)CO 8de638bdca0f8ac1cf08b4f0e65806cd [0,1,0,0,0,0|2,0,0]=3 208 B8R0.3 CN(CCO)C(=O)CS 797e71b888991b0f90a9d8c6273c3ef5 [0,1,0,0,0,0|2,1,0]=4 209 B8R0.3 CNC(=O)C(C)NCF 36961f48791e8b3196a594acce9c8e8a [0,1,0,0,0,0|3,0,0]=4 210 B8R0.3 CNC(=O)C(C)NCO a34e41a62dab697e3cedeec3c087b7b0 [0,1,0,0,0,0|3,0,0]=4 211 B8R0.3 COC(=O)C(C)NC#N 0da26f030d7cbb617c3d102fad361d22 [0,1,0,0,0,0|2,0,1]=4 212 B8R0.3 COC(=O)C(C)OCF 225188b3064670e98f4e80d2140895bc [0,1,0,0,0,0|2,0,0]=3 213 B8R0.3 COC(=O)[C@@H](C)NC#N c796307ff0b9ba8fc5b9db354520dce4 [0,1,0,0,0,0|2,0,1]=4 214 B8R0.3 COC(=O)[C@@H](C)OCF 91f7505b58320e2d5e72e03fb5b0d0c5 [0,1,0,0,0,0|2,0,0]=3 215 B8R0.3 COC(=O)[C@H](C)NC#N 33f198992691a24d8b15f51815640099 [0,1,0,0,0,0|2,0,1]=4 216 B8R0.3 COC(=O)[C@H](C)OCF 1dbcfe62c201ad25840f7e5329cbdc78 [0,1,0,0,0,0|2,0,0]=3 217 B8R0.3 C[C@@H](CCO)N(C)C=O 745e3e839cb6abf8e6c7990ccbf7d930 [0,1,0,0,0,0|3,0,0]=4 218 B8R0.3 C[C@@H](CCO)N(C)CO eaa5b713431519b13dcab703d6cf2eed [0,1,0,0,0,0|3,0,0]=4 219 B8R0.8 C#CCCN(C)C(=O)C 3fdf2b9b619b3ddbb35b9c21b779044f [0,1,0,0,0,0|2,0,1]=4 220 B8R0.8 C#CCNC(C)C(=O)C 567e703e6a9161893158d07669a6a608 [0,1,0,0,0,0|1,0,2]=4 221 B8R0.8 C#CCNC(C)C(=O)N b2c550a5526a906ac94f581b68fe9a32 [0,1,0,0,0,0|1,0,2]=4 222 B8R0.8 C#CCNC(C)C(=O)O 4b99b7020e460036fc14906401430936 [0,1,0,0,0,0|0,0,2]=3 223 B8R0.8 C#CCNC(O)C(=O)O c2f87445089f25c4b184d132413f8006 [0,1,0,0,0,0|1,0,2]=4 224 B8R0.8 C#CCN[C@@H](C)C(=O)N 716041837483c441ea60a7ae51948bf3 [0,1,0,0,0,0|1,0,2]=4 225 B8R0.8 C#CCN[C@@H](C)C(=O)O 10bbfb92e2c549f58f291f130d16578f [0,1,0,0,0,0|0,0,2]=3 226 B8R0.8 C#CCN[C@H](C)C(=O)N a502ea176cf1282028709af5779796d3 [0,1,0,0,0,0|1,0,2]=4 227 B8R0.8 C#CCN[C@H](C)C(=O)O c45ede9d1e43611c768a8090380c1868 [0,1,0,0,0,0|0,0,2]=3 228 B8R0.8 C#CCOC(C)C(=O)C 92d9c5c0219a15f7e11b9f6ec066d343 [0,1,0,0,0,0|1,0,2]=4 229 B8R0.8 C#CCOC(C)C(=O)N 6c3503b814067573f6ce022ff6c14c8c [0,1,0,0,0,0|1,0,2]=4 230 B8R0.8 C#CCOC(C)C(=O)O 1adaa60fa476d6dc220f161b33abd609 [0,1,0,0,0,0|0,0,2]=3 231 B8R0.8 C#CCO[C@@H](C)C(=O)N 01367606177a818740dba644d937f74a [0,1,0,0,0,0|1,0,2]=4 232 B8R0.8 C#CCO[C@@H](C)C(=O)O 79781b9b2e6b822211278354159e2687 [0,1,0,0,0,0|0,0,2]=3 233 B8R0.8 C#CCO[C@H](C)C(=O)N 77c65e7fcac557ef545612a586bc473c [0,1,0,0,0,0|1,0,2]=4 234 B8R0.8 C#CCO[C@H](C)C(=O)O 19885536196a71978196625cd8e9f2d3 [0,1,0,0,0,0|0,0,2]=3 235 B8R0.8 C=C(COCC)C(=O)O b3208edc35f04bc3c761d3282605ef24 [0,1,0,0,0,0|0,0,2]=3 236 B8R0.8 C=C(COCF)C(=O)O 482b63a8a7d21f3e3de9eb1368a89112 [0,1,0,0,0,0|1,0,2]=4 237 B8R0.8 C=CCCN(C)C(=O)C 851a28f530c13f40a194c5bcebcd03fc [0,1,0,0,0,0|2,0,1]=4 238 B8R0.8 C=CCNC(C)C(=O)N d23d3e7d17b048913bbef97e5f4447f5 [0,1,0,0,0,0|1,0,2]=4 239 B8R0.8 C=CCNC(C)C(=O)O 4027c27acb0fdf3aaf8b355f1a408423 [0,1,0,0,0,0|0,0,2]=3 240 B8R0.8 C=CCNC(O)C(=O)O 0ecf31d72e8de05d5ba28c50354b10f9 [0,1,0,0,0,0|1,0,2]=4 241 B8R0.8 C=CCN[C@@H](C)C(=O)N 14e80c0d6381e9fde93b9866d76ae313 [0,1,0,0,0,0|1,0,2]=4 242 B8R0.8 C=CCN[C@@H](C)C(=O)O a2a3215161cedaeb69cecc40398800bc [0,1,0,0,0,0|0,0,2]=3 243 B8R0.8 C=CCN[C@H](C)C(=O)N eb3c3df88a54e711810c3aab2f1130f0 [0,1,0,0,0,0|1,0,2]=4 244 B8R0.8 C=CCN[C@H](C)C(=O)O 9c9e167784ec1fd5265aa094a42d05d8 [0,1,0,0,0,0|0,0,2]=3 245 B8R0.8 C=CCOC(C)C(=O)C 67a80f394e84cf94a6ded2477a1d988b [0,1,0,0,0,0|1,0,2]=4 246 B8R0.8 C=CCOC(C)C(=O)N 2c5104c1d37249d8a6858861948db0aa [0,1,0,0,0,0|1,0,2]=4 247 B8R0.8 C=CCOC(C)C(=O)O 950b3a8c28d6da5c53fb492d3fdc807b [0,1,0,0,0,0|0,0,2]=3 248 B8R0.8 C=CCO[C@@H](C)C(=O)N ace47d071d29c7c7c1633196643eb933 [0,1,0,0,0,0|1,0,2]=4 249 B8R0.8 C=CCO[C@@H](C)C(=O)O 25467a59582a2906ce4ce45146ee1287 [0,1,0,0,0,0|0,0,2]=3 250 B8R0.8 C=CCO[C@H](C)C(=O)N 1d420bc3401d279f525ddda584537dee [0,1,0,0,0,0|1,0,2]=4 251 B8R0.8 C=CCO[C@H](C)C(=O)O 0b91c4aaff97cd63715f015c1d0c9e20 [0,1,0,0,0,0|0,0,2]=3 252 B8R0.8 CC(=O)C(C)COCF c45f8ad47bb47acfc61ca43baa4a6417 [0,1,0,0,0,0|2,0,0]=3 253 B8R0.8 CC(=O)C(C)NCC#N 456b6713f365a1b6642d314cad0263c9 [0,1,0,0,0,0|2,0,1]=4 254 B8R0.8 CC(=O)C(C)NCCBr 3210bd9423ad5a5155327281550f5f25 [0,1,0,0,0,0|2,0,0]=3 255 B8R0.8 CC(=O)C(C)NCCF ddfa9965dd9a8b7bc370014a7270bc24 [0,1,0,0,0,0|2,0,0]=3 256 B8R0.8 CC(=O)C(C)NCCI a2fabb97dc000dda6bc097c4a9247332 [0,1,0,0,0,0|2,0,0]=3 257 B8R0.8 CC(=O)C(C)NCCO 2aeb3f0703a454ddc9d76e39bdb7fb76 [0,1,0,0,0,0|2,0,0]=3 258 B8R0.8 CC(=O)C(C)NCCS ec2fcb162cf9fe04c53dc8de339e343c [0,1,0,0,0,0|2,0,0]=3 259 B8R0.8 CC(=O)C(C)OCC#N 6ceb6afe72983951abf67fa79d909e5b [0,1,0,0,0,0|2,0,1]=4 260 B8R0.8 CC(=O)C(C)OCC=O b74e7c61b80a0c717901ca8c420abcfa [0,1,0,0,0,0|2,0,1]=4 261 B8R0.8 CC(=O)C(C)OCCF 2400feff3997df18334864838c96453f [0,1,0,0,0,0|2,0,0]=3 262 B8R0.8 CC(=O)C(C)OCCS 8423f1e18d91a46ab22e3647b29e1625 [0,1,0,0,0,0|2,0,0]=3 263 B8R0.8 CC(=O)N(C)CCC#N 151e9e71ecbd3af558b8b7d0c38784a7 [0,1,0,0,0,0|2,0,1]=4 264 B8R0.8 CC(=O)N(C)CCCO f1b608083519b3981f39547632d628d0 [0,1,0,0,0,0|2,0,0]=3 265 B8R0.8 CC(=O)N(C)CCON 0222a89a982d3c098f88961a474eac69 [0,1,0,0,0,0|3,0,0]=4 266 B8R0.8 CC(CNC#N)C(=O)O bf116ef387bf30d93fcd9d2397a5d029 [0,1,0,0,0,0|1,0,1]=3 267 B8R0.8 CC(CNCF)C(=O)O 81c40ac360e7f6cce7aa3313199a6d5d [0,1,0,0,0,0|1,0,0]=2 268 B8R0.8 CC(CNCO)C(=O)O e22ad5b294faf2e87974a8321cb31821 [0,1,0,0,0,0|1,0,0]=2 269 B8R0.8 CC(COCF)C(=O)O 415e8d45727d24f32c3b9f930225f08d [0,1,0,0,0,0|1,0,0]=2 270 B8R0.8 CC(COCF)[N+](=O)[O-] 35319c4972ac1e909228f06c42286ddd [0,1,0,0,0,0|2,0,1]=4 271 B8R0.8 CC(NCC#N)C(=O)N 87d01f4fc015ed09a24a5e81b41b1acb [0,1,0,0,0,0|2,0,1]=4 272 B8R0.8 CC(NCC#N)C(=O)O 7e0caa8ab91252d82a8f6abf878f244d [0,1,0,0,0,0|1,0,1]=3 273 B8R0.8 CC(NCC=O)C(=O)N 1d42c305ffe98b6316c972cab7d333c6 [0,1,0,0,0,0|2,0,1]=4 274 B8R0.8 CC(NCC=O)C(=O)O 68b69b45ee2126dd65ee50d2916637e9 [0,1,0,0,0,0|1,0,1]=3 275 B8R0.8 CC(NCCBr)C(=O)N e1b4730b5fd9d92a2dbd4fe63157cabb [0,1,0,0,0,0|2,0,0]=3 276 B8R0.8 CC(NCCF)C(=O)N 953b8e834ec847c492e06ef848bdb316 [0,1,0,0,0,0|2,0,0]=3 277 B8R0.8 CC(NCCF)C(=O)O 826059aa4ee48cb4b37668249087cac6 [0,1,0,0,0,0|1,0,0]=2 278 B8R0.8 CC(NCCI)C(=O)N 7681945bc88c2670e6d790ebc46806ce [0,1,0,0,0,0|2,0,0]=3 279 B8R0.8 CC(NCCI)C(=O)O dee732c464e42a2d1492bb4c77f9d546 [0,1,0,0,0,0|1,0,0]=2 280 B8R0.8 CC(NCCO)C(=O)N 013333cfcf1fc8f500c98b282dda89b3 [0,1,0,0,0,0|2,0,0]=3 281 B8R0.8 CC(NCCO)C(=O)O d02ed597872d2f4c546187db89f2f220 [0,1,0,0,0,0|1,0,0]=2 282 B8R0.8 CC(NCCS)C(=O)N 572f0555a75dff8d0ea622872a8a561f [0,1,0,0,0,0|2,0,0]=3 283 B8R0.8 CC(NCCS)C(=O)O c86172ae088a1a89a361e8a05cbb9a1a [0,1,0,0,0,0|1,0,0]=2 284 B8R0.8 CC(O)C(C)NCCF 9cfe548625b157e19c5439799990e702 [0,1,0,0,0,0|2,0,1]=4 285 B8R0.8 CC(O)C(C)NCCO 469f70f9bc699e5eb472875791d52d81 [0,1,0,0,0,0|2,0,1]=4 286 B8R0.8 CC(O)C(C)NCCS e8cacdd9ca1fd87fea75773d8f3ca780 [0,1,0,0,0,0|2,0,1]=4 287 B8R0.8 CC(OCC#N)C(=O)N 992addf68f1c126470afa3112ae41cce [0,1,0,0,0,0|2,0,1]=4 288 B8R0.8 CC(OCC#N)C(=O)O 9e60d39e5d4e06a279fadb11fff707cb [0,1,0,0,0,0|1,0,1]=3 289 B8R0.8 CC(OCC=O)C(=O)N fb4af7c9278676830eac88903131ad15 [0,1,0,0,0,0|2,0,1]=4 290 B8R0.8 CC(OCC=O)C(=O)O f7d574d73325531577cc3be3ba579ff3 [0,1,0,0,0,0|1,0,1]=3 291 B8R0.8 CC(OCCF)C(=O)N 05325469e5b636b3a46e12613a8ebafe [0,1,0,0,0,0|2,0,0]=3 292 B8R0.8 CC(OCCF)C(=O)O 6fd5e9a19867c7867b238e7d51a1feb1 [0,1,0,0,0,0|1,0,0]=2 293 B8R0.8 CC(OCCS)C(=O)N becba3e4bd5ddd0256495d0b8cb5436f [0,1,0,0,0,0|2,0,0]=3 294 B8R0.8 CC(OCCS)C(=O)O c6314cdd016da9ce267602a4c2560a24 [0,1,0,0,0,0|1,0,0]=2 295 B8R0.8 CCCCN(C)C(=O)C 88d1b3a05bc92700007f7660d5b84e56 [0,1,0,0,0,0|2,0,0]=3 296 B8R0.8 CCCNC(=O)C(=O)C 6616f52ba2db0bc51edea61ef0a86e36 [0,1,0,0,0,0|2,0,1]=4 297 B8R0.8 CCCNC(=O)C(=O)N 13b9d7246a4f43d25f7b6094605e09c1 [0,1,0,0,0,0|2,0,1]=4 298 B8R0.8 CCCNC(C)C(=O)C 6c20f55484fcd603f7867a7e61cb3d7e [0,1,0,0,0,0|1,0,0]=2 299 B8R0.8 CCCNC(C)C(=O)N b2fc625c38ab8c709841d5c7372d4adf [0,1,0,0,0,0|1,0,0]=2 300 B8R0.8 CCCNC(C)C(=O)O 0bb3e38e8c1f88931a7fe4405f55b48f [0,1,0,0,0,0|0,0,0]=1 301 B8R0.8 CCCNC(C)C(C)C 83fa3f7bca0f40e346b81c4ebe9a6195 [0,1,0,0,0,0|2,0,1]=4 302 B8R0.8 CCCNC(C)C(C)O d6d39af3e50c17151ef5fe5638b0cdf5 [0,1,0,0,0,0|1,0,1]=3 303 B8R0.8 CCCNC(F)C(=O)N 887433dddf04b7504891cb2e153136a8 [0,1,0,0,0,0|2,0,0]=3 304 B8R0.8 CCCNC(O)C(=O)O cc97d4d167b9765bc7e9641f2f876d2e [0,1,0,0,0,0|1,0,0]=2 305 B8R0.8 CCCN[C@@H](C)C(=O)N 02dd18b86b56ba975cc40a36af64e278 [0,1,0,0,0,0|1,0,0]=2 306 B8R0.8 CCCN[C@@H](C)C(=O)O ef0370d06100564dc30ac92abf332f2f [0,1,0,0,0,0|0,0,0]=1 307 B8R0.8 CCCN[C@@H](C)C(C)C 5a80b176866eb6d633457f0bc9e03270 [0,1,0,0,0,0|2,0,1]=4 308 B8R0.8 CCCN[C@@H](C)C(F)F 789979c5f5dfa95359bedca093c22b00 [0,1,0,0,0,0|2,0,1]=4 309 B8R0.8 CCCN[C@H](C)C(=O)N 99c67abc53ca408bd7a07e11216e0931 [0,1,0,0,0,0|1,0,0]=2 310 B8R0.8 CCCN[C@H](C)C(=O)O a8f2478751dbbc6b16132b4c2221ee6f [0,1,0,0,0,0|0,0,0]=1 311 B8R0.8 CCCN[C@H](C)C(C)C 51af879c22cb35c22f0cd191096adc82 [0,1,0,0,0,0|2,0,1]=4 312 B8R0.8 CCCN[C@H](C)C(F)F 2fad1b8a41c4a9fe84aee9262a077e94 [0,1,0,0,0,0|2,0,1]=4 313 B8R0.8 CCCOC(C)C(=O)C f2ac291285b506c3aa995ed18a49b95f [0,1,0,0,0,0|1,0,0]=2 314 B8R0.8 CCCOC(C)C(=O)N 960017c2975c35a65e9a919d09986bae [0,1,0,0,0,0|1,0,0]=2 315 B8R0.8 CCCOC(C)C(=O)O 1322f7b5e7c49e969524d97c6c86e731 [0,1,0,0,0,0|0,0,0]=1 316 B8R0.8 CCCOC(C)C(C)C 86f84b43e39046a302b7ae55be48399d [0,1,0,0,0,0|2,0,1]=4 317 B8R0.8 CCCOC(C)C(C)S 2259d80f2d369dc01415bcec83767bc2 [0,1,0,0,0,0|1,1,1]=4 318 B8R0.8 CCCOC(C)C(F)F 165e4dd3f64552172704afe9815da1fe [0,1,0,0,0,0|2,0,1]=4 319 B8R0.8 CCCOC(F)C(=O)N e307f7bcd27dd26468887c129da73e20 [0,1,0,0,0,0|2,0,0]=3 320 B8R0.8 CCCO[C@@H](C)C(=O)N b8c1d5a3f29f788c88f92112d4a6c2ab [0,1,0,0,0,0|1,0,0]=2 321 B8R0.8 CCCO[C@@H](C)C(=O)O 6d34f6dc5dea70a72e909784584aa3d0 [0,1,0,0,0,0|0,0,0]=1 322 B8R0.8 CCCO[C@@H](C)C(C)C 2f41c5c2bb860ee77833a11f23aa4350 [0,1,0,0,0,0|2,0,1]=4 323 B8R0.8 CCCO[C@H](C)C(=O)N ca342d08f32f80afdbcc627d7b3ff5e4 [0,1,0,0,0,0|1,0,0]=2 324 B8R0.8 CCCO[C@H](C)C(=O)O c80966cb853c5464154df7c1b20e2fad [0,1,0,0,0,0|0,0,0]=1 325 B8R0.8 CCCO[C@H](C)C(C)C 90a86ce0fea165a8278a7b9623fa00c4 [0,1,0,0,0,0|2,0,1]=4 326 B8R0.8 CCNCC(C)C(=O)O f1d53d3e850c3e5f7eacfd1722a00821 [0,1,0,0,0,0|0,0,0]=1 327 B8R0.8 CCNCC(C)N(C)C 41bb194af53b725ea7dd9a3b0acc22cb [0,1,0,0,0,0|3,0,0]=4 328 B8R0.8 CCNCC(F)C(=O)O 3b295cc4c966015ef89d181bb2cf0fd1 [0,1,0,0,0,0|1,0,0]=2 329 B8R0.8 CCNCC(O)C(=O)O 199a2ff9ee4d2808377aac2de3a1300d [0,1,0,0,0,0|1,0,0]=2 330 B8R0.8 CCNC[C@@H](C)C(=O)O c248e05b45d9e657c31f93c9072982c9 [0,1,0,0,0,0|0,0,0]=1 331 B8R0.8 CCNC[C@@H](O)C(=O)O 0b3a1c0d41c6b74588ef5eb637fd0fb0 [0,1,0,0,0,0|1,0,0]=2 332 B8R0.8 CCNC[C@H](C)C(=O)O 0c2e6d5b0da6964440e6e3ec89c9de07 [0,1,0,0,0,0|0,0,0]=1 333 B8R0.8 CCNC[C@H](O)C(=O)O 8f48edbc7af4278b5a62e9966729660b [0,1,0,0,0,0|1,0,0]=2 334 B8R0.8 CCOCC(C)C(=O)C 7ed02ca7a024702f528cad10b88a8859 [0,1,0,0,0,0|1,0,0]=2 335 B8R0.8 CCOCC(C)C(=O)O c058fb39790cebd08b409e3f0067a53c [0,1,0,0,0,0|0,0,0]=1 336 B8R0.8 CCOCC(C)C(C)C cc9eb3a68371ce091c3a8ee0b2e15210 [0,1,0,0,0,0|2,0,1]=4 337 B8R0.8 CCOCC(C)N(C)C 4cf9d1e108061eb0db86c5bbc2dadd81 [0,1,0,0,0,0|3,0,0]=4 338 B8R0.8 CCOCC(C)[N+](=O)[O-] 1b1cffe18e1cd53903bec7f8cc4fd4b0 [0,1,0,0,0,0|1,0,1]=3 339 B8R0.8 CCOC[C@@H](C)C(=O)O caa5ba1722b2330e21dcd6c456bf8574 [0,1,0,0,0,0|0,0,0]=1 340 B8R0.8 CCOC[C@@H](C)N(C)C 8ebcbc9e4042f7c7c8c24355d5f74677 [0,1,0,0,0,0|3,0,0]=4 341 B8R0.8 CCOC[C@H](C)C(=O)O 3f7f39bbd0ce3dcf45d784eca89b738a [0,1,0,0,0,0|0,0,0]=1 342 B8R0.8 CCOC[C@H](C)N(C)C e984cb81fb175d841726dde504cbd605 [0,1,0,0,0,0|3,0,0]=4 343 B8R0.8 COCCN(C)C(=O)C 1c56ee19503977f51009b726340315a1 [0,1,0,0,0,0|2,0,0]=3 344 B8R0.8 COCNC(C)C(=O)N b4b2ce7b06452726f40d29c12e1e2d45 [0,1,0,0,0,0|2,0,0]=3 345 B8R0.8 COCNC(C)C(=O)O e8a36179375a090804a3295d43a4edc8 [0,1,0,0,0,0|1,0,0]=2 346 B8R0.8 COCNC(C)C(C)O d7e5822464b4c17df026f3154a34adc6 [0,1,0,0,0,0|2,0,1]=4 347 B8R0.8 COCNC(O)C(=O)O c63f3dcbd9e54c8057b6fa82b7adfdd8 [0,1,0,0,0,0|2,0,0]=3 348 B8R0.8 COCN[C@@H](C)C(=O)N 8b55f42ca22daaaacb13727c1eeadb78 [0,1,0,0,0,0|2,0,0]=3 349 B8R0.8 COCN[C@@H](C)C(=O)O 97f34448d198c44b13a9de86cde207b4 [0,1,0,0,0,0|1,0,0]=2 350 B8R0.8 COCN[C@H](C)C(=O)N eb2e7ecb7d7c9931c4aafa21b2d3cf84 [0,1,0,0,0,0|2,0,0]=3 351 B8R0.8 COCN[C@H](C)C(=O)O aa63150e151b1d92e3b97d3faa08a6a0 [0,1,0,0,0,0|1,0,0]=2 352 B8R0.8 COCOC(C)C(=O)C 9af88437e924837e1175779254d8725f [0,1,0,0,0,0|2,0,0]=3 353 B8R0.8 COCOC(C)C(=O)N 6aefe489f48a65cd7d148c440618ab78 [0,1,0,0,0,0|2,0,0]=3 354 B8R0.8 COCOC(F)C(=O)N 98a6ca63ec0ae5ce3f5f79ce7b3d2ebf [0,1,0,0,0,0|3,0,0]=4 355 B8R0.8 COCO[C@@H](C)C(=O)N 49acefa7331c8c6665c0cba142f65a5a [0,1,0,0,0,0|2,0,0]=3 356 B8R0.8 COCO[C@H](C)C(=O)N 3b246b4b4317637d3b566960fa55f353 [0,1,0,0,0,0|2,0,0]=3 357 B8R0.8 CSCCN(C)C(=O)C f3dc0247d8f8741adf15cb67ead23b7f [0,1,0,0,0,0|2,0,0]=3 358 B8R0.8 CSCNC(C)C(=O)N 09e6b1dc62b63e7473b01cdc2aa52418 [0,1,0,0,0,0|2,0,0]=3 359 B8R0.8 CSCNC(C)C(=O)O ea815da10516e5245f4fabfad2c1e236 [0,1,0,0,0,0|1,0,0]=2 360 B8R0.8 CSCNC(C)C(C)O ef3911d562ab7b6e3e64e8a81fc52be6 [0,1,0,0,0,0|2,0,1]=4 361 B8R0.8 CSCNC(O)C(=O)O 1719d5d27357fbe544a3b6bde16529a0 [0,1,0,0,0,0|2,0,0]=3 362 B8R0.8 CSCN[C@@H](C)C(=O)N b433645c30d8ea8eea7e0c7ef027def3 [0,1,0,0,0,0|2,0,0]=3 363 B8R0.8 CSCN[C@@H](C)C(=O)O 7e48161f385aeb967c83dfdd3dbc82ac [0,1,0,0,0,0|1,0,0]=2 364 B8R0.8 CSCN[C@H](C)C(=O)N c7892432661f557a4875bbc0c66dca2f [0,1,0,0,0,0|2,0,0]=3 365 B8R0.8 CSCN[C@H](C)C(=O)O b9423e8ae3b110bd616b166a6c8e3236 [0,1,0,0,0,0|1,0,0]=2 366 B8R0.8 CSCOC(C)C(=O)C c95aac72a50d87c47012f14e7a8068b2 [0,1,0,0,0,0|2,0,0]=3 367 B8R0.8 CSCOC(C)C(=O)N 635f1a0e17addb469496239feb26d434 [0,1,0,0,0,0|2,0,0]=3 368 B8R0.8 CSCOC(C)C(=O)O 57d7ce1dd854a328c5975793704ea7b1 [0,1,0,0,0,0|1,0,0]=2 369 B8R0.8 CSCO[C@@H](C)C(=O)N d697806df06282cb5644132872e9ee59 [0,1,0,0,0,0|2,0,0]=3 370 B8R0.8 CSCO[C@@H](C)C(=O)O 864b5a29ecb73704069778c9f0e179d1 [0,1,0,0,0,0|1,0,0]=2 371 B8R0.8 CSCO[C@H](C)C(=O)N 52e95303bdf45ec980659949a87a26d8 [0,1,0,0,0,0|2,0,0]=3 372 B8R0.8 CSCO[C@H](C)C(=O)O f7ab39fe068e7fa68aead9a01d1128af [0,1,0,0,0,0|1,0,0]=2 373 B8R0.8 C[C@@H](CNCF)C(=O)O 4d9173719fc4f49e4611760c33799bb2 [0,1,0,0,0,0|1,0,0]=2 374 B8R0.8 C[C@@H](CNCO)C(=O)O 129419d76dc5f85eaf247a7f67fc6cef [0,1,0,0,0,0|1,0,0]=2 375 B8R0.8 C[C@@H](COCF)C(=O)O aa505f32f4e5eedb1609c9fa6ceb286b [0,1,0,0,0,0|1,0,0]=2 376 B8R0.8 C[C@@H](NCC#N)C(=O)N d560bf21da9b01dbda4fa979f4ab8fbf [0,1,0,0,0,0|2,0,1]=4 377 B8R0.8 C[C@@H](NCC#N)C(=O)O 972d08b332f352aa44c3e39d4ac17eb7 [0,1,0,0,0,0|1,0,1]=3 378 B8R0.8 C[C@@H](NCC=O)C(=O)N 2d5a9db2ba27ee52295d46b8f6ba96f4 [0,1,0,0,0,0|2,0,1]=4 379 B8R0.8 C[C@@H](NCC=O)C(=O)O a9f70b757fe4612e75dea21e3835d008 [0,1,0,0,0,0|1,0,1]=3 380 B8R0.8 C[C@@H](NCCBr)C(=O)N 5f0fef2d25c875361a1c1fb6719cbf97 [0,1,0,0,0,0|2,0,0]=3 381 B8R0.8 C[C@@H](NCCF)C(=O)N 2c520067e170d47a3eab9e4fbe585908 [0,1,0,0,0,0|2,0,0]=3 382 B8R0.8 C[C@@H](NCCF)C(=O)O c985c930a75dd7ef32b597383fbe6b60 [0,1,0,0,0,0|1,0,0]=2 383 B8R0.8 C[C@@H](NCCI)C(=O)N 76a020fa2d2de1a12301f9ed6a01f3a0 [0,1,0,0,0,0|2,0,0]=3 384 B8R0.8 C[C@@H](NCCI)C(=O)O 8a10c2dc2b0ccfee702f35e3cbddbf0d [0,1,0,0,0,0|1,0,0]=2 385 B8R0.8 C[C@@H](NCCO)C(=O)N 11b4a7b8afa7b38c3221de9b75563071 [0,1,0,0,0,0|2,0,0]=3 386 B8R0.8 C[C@@H](NCCO)C(=O)O 773cefab23e4277c3fec27f25db9fd3e [0,1,0,0,0,0|1,0,0]=2 387 B8R0.8 C[C@@H](NCCS)C(=O)N eaed8a8bc3443962f8e57846d7a55f89 [0,1,0,0,0,0|2,0,0]=3 388 B8R0.8 C[C@@H](NCCS)C(=O)O 19d484937376b7d19ec4ad31c032ffd8 [0,1,0,0,0,0|1,0,0]=2 389 B8R0.8 C[C@@H](OCC#N)C(=O)N ab827984b06d0d7fc587bfd561539236 [0,1,0,0,0,0|2,0,1]=4 390 B8R0.8 C[C@@H](OCC#N)C(=O)O c705a7a20d6bb82ff2eff911b8d9b552 [0,1,0,0,0,0|1,0,1]=3 391 B8R0.8 C[C@@H](OCC=O)C(=O)N e465ae40c93d3e47e6e818eeacdad913 [0,1,0,0,0,0|2,0,1]=4 392 B8R0.8 C[C@@H](OCC=O)C(=O)O ec661864679508fe308079c34ba0d948 [0,1,0,0,0,0|1,0,1]=3 393 B8R0.8 C[C@@H](OCCF)C(=O)N d40441105176013d30c8b95424c00d97 [0,1,0,0,0,0|2,0,0]=3 394 B8R0.8 C[C@@H](OCCF)C(=O)O c9253212131f04406411165ed9fada60 [0,1,0,0,0,0|1,0,0]=2 395 B8R0.8 C[C@@H](OCCS)C(=O)N 88943ada137c1f0b099f509dc8869f73 [0,1,0,0,0,0|2,0,0]=3 396 B8R0.8 C[C@@H](OCCS)C(=O)O ac3bfc55d41f7a030484bfd593511e60 [0,1,0,0,0,0|1,0,0]=2 397 B8R0.8 C[C@H](CNCF)C(=O)O 9d81b94206f75ee21b4db163708e8702 [0,1,0,0,0,0|1,0,0]=2 398 B8R0.8 C[C@H](CNCO)C(=O)O 722d39fe0a80aec373909ca981cc2ac2 [0,1,0,0,0,0|1,0,0]=2 399 B8R0.8 C[C@H](COCF)C(=O)O 45766ea01c28bb0aca00c5be08dc9be3 [0,1,0,0,0,0|1,0,0]=2 400 B8R0.8 C[C@H](NCC#N)C(=O)N b1bd4affae1676d8c00295ee999f67c9 [0,1,0,0,0,0|2,0,1]=4 401 B8R0.8 C[C@H](NCC#N)C(=O)O e4147ba99646ec3a91b79b66bb7623a1 [0,1,0,0,0,0|1,0,1]=3 402 B8R0.8 C[C@H](NCC=O)C(=O)N a2b63a020c9792264aa745567c78af14 [0,1,0,0,0,0|2,0,1]=4 403 B8R0.8 C[C@H](NCC=O)C(=O)O 8f3e3a2e655b122b5dbf67e5312baae9 [0,1,0,0,0,0|1,0,1]=3 404 B8R0.8 C[C@H](NCCBr)C(=O)N c654f0586f8c23ee904ea4efbdaa6282 [0,1,0,0,0,0|2,0,0]=3 405 B8R0.8 C[C@H](NCCF)C(=O)N e75d3c5e3e987293ab038f42699088fd [0,1,0,0,0,0|2,0,0]=3 406 B8R0.8 C[C@H](NCCF)C(=O)O fd1f98b23619529732be37e8295a849a [0,1,0,0,0,0|1,0,0]=2 407 B8R0.8 C[C@H](NCCI)C(=O)N 67fe932a80a9eec1720ad4855692ad60 [0,1,0,0,0,0|2,0,0]=3 408 B8R0.8 C[C@H](NCCI)C(=O)O 14879b70406900d3b9c0aef15c8804ba [0,1,0,0,0,0|1,0,0]=2 409 B8R0.8 C[C@H](NCCO)C(=O)N ead3141575cb05538a172d8fe0fd315f [0,1,0,0,0,0|2,0,0]=3 410 B8R0.8 C[C@H](NCCO)C(=O)O 76808623850f5a1065c978caf5c977ca [0,1,0,0,0,0|1,0,0]=2 411 B8R0.8 C[C@H](NCCS)C(=O)N 66f3a08d77bb976c0eb5f803b01afeb5 [0,1,0,0,0,0|2,0,0]=3 412 B8R0.8 C[C@H](NCCS)C(=O)O f9c7d821f3499388f2c0c427911263cd [0,1,0,0,0,0|1,0,0]=2 413 B8R0.8 C[C@H](OCC#N)C(=O)N 4f525c9166c6cf297404b8db8e8590ff [0,1,0,0,0,0|2,0,1]=4 414 B8R0.8 C[C@H](OCC#N)C(=O)O ba12b08c57ed09456d47d6e99832077b [0,1,0,0,0,0|1,0,1]=3 415 B8R0.8 C[C@H](OCC=O)C(=O)N 57080ccd63218164a41db63cdd44c4c7 [0,1,0,0,0,0|2,0,1]=4 416 B8R0.8 C[C@H](OCC=O)C(=O)O 4ebe59700e459820040abe9c03f70752 [0,1,0,0,0,0|1,0,1]=3 417 B8R0.8 C[C@H](OCCF)C(=O)N 4e9bb5644f38dd86d9dd9823a1b49742 [0,1,0,0,0,0|2,0,0]=3 418 B8R0.8 C[C@H](OCCF)C(=O)O 743b16156cee7adc3f15423098970a5c [0,1,0,0,0,0|1,0,0]=2 419 B8R0.8 C[C@H](OCCS)C(=O)N b69b46e96c27664eee2ef8d1ebb4d82d [0,1,0,0,0,0|2,0,0]=3 420 B8R0.8 C[C@H](OCCS)C(=O)O b485ed5c5773edd40292f7e36c453e29 [0,1,0,0,0,0|1,0,0]=2 421 B8R0.8 N#CCNC(O)C(=O)O eec7ef83cf88af6ac7f289ccc2020fe0 [0,1,0,0,0,0|2,0,1]=4 422 B8R0.8 N#CNCC(O)C(=O)O 0943bc10363ee8c75700054dcf2c9843 [0,1,0,0,0,0|2,0,1]=4 423 B8R0.8 N#CNC[C@H](O)C(=O)O c374ceb0d5a55141801d235bcfbf9087 [0,1,0,0,0,0|2,0,1]=4 424 B8R0.8 NC(=O)C(F)NCCBr 7b2f59324313e93e737f5e8d44c95a2c [0,1,0,0,0,0|3,0,0]=4 425 B8R0.8 NC(=O)C(F)NCCI 4fa570523e6226333623796420bfec05 [0,1,0,0,0,0|3,0,0]=4 426 B8R0.8 NC(=O)C(F)NCCO 8ea465c04b3d341359f3e0754df88307 [0,1,0,0,0,0|3,0,0]=4 427 B8R0.8 NC(=O)C(F)OCCS 5172c9b0bf8c5357fae11cb57618deab [0,1,0,0,0,0|3,0,0]=4 428 B8R0.8 O=C(O)C(F)CNCF f1a9030b4e84b2808ed1cc96323a1748 [0,1,0,0,0,0|2,0,0]=3 429 B8R0.8 O=C(O)C(F)CNCO c5cb63252e280c78105d540035d06dac [0,1,0,0,0,0|2,0,0]=3 430 B8R0.8 O=C(O)C(O)CNCF b50e1442b5c6266934863854576a8d3d [0,1,0,0,0,0|2,0,0]=3 431 B8R0.8 O=C(O)C(O)CNCO 898dc7e3ebc74408e9fbb99b51d98f75 [0,1,0,0,0,0|2,0,0]=3 432 B8R0.8 O=C(O)C(O)NCCF f448ef4ffbf11843dbee1bb8436d2a0c [0,1,0,0,0,0|2,0,0]=3 433 B8R0.8 O=C(O)C(O)NCCO 698911e1d3457f5b9e37a340d950957a [0,1,0,0,0,0|2,0,0]=3 434 B8R0.8 O=C(O)C(O)NCCS 5346421c4abaa0529702e1282d1c5a95 [0,1,0,0,0,0|2,0,0]=3 435 B8R0.8 O=C(O)[C@@H](O)CNCF dfc3ee5c735555d7aca49144f695826d [0,1,0,0,0,0|2,0,0]=3 436 B8R0.8 O=C(O)[C@@H](O)CNCO cdd1082cc3946b226b2ffbc1066fef89 [0,1,0,0,0,0|2,0,0]=3 437 B8R0.8 O=C(O)[C@H](O)CNCF 5dbad60ab052faf0f2f5f615bfe59344 [0,1,0,0,0,0|2,0,0]=3 438 B8R0.8 O=C(O)[C@H](O)CNCO 71211b0d7c7b20837b97e49988848369 [0,1,0,0,0,0|2,0,0]=3 439 B8R0.8 O=CCNC(O)C(=O)O 8520717b1a1e11d4c35b09a14aaf7e93 [0,1,0,0,0,0|2,0,1]=4 440 B8R0.12 CC(=O)C(C)(C)NCF ee1ad614b6deda63a05f91d38cc61108 [0,1,0,0,0,0|3,0,0]=4 441 B8R0.12 CC(=O)C(C)(C)NCO 3e068c30a895bb404d4fab2097612865 [0,1,0,0,0,0|3,0,0]=4 442 B8R0.12 CC(C)(NCF)C(=O)N e78e887fdd3c0b7785df5e19b3cfc6da [0,1,0,0,0,0|3,0,0]=4 443 B8R0.12 CC(C)(NCF)C(=O)O f9e92278861b7cfa6593cc57e317672c [0,1,0,0,0,0|2,0,0]=3 444 B8R0.12 CC(C)(NCO)C(=O)N 2bac90466422ccd2972ee0c62ce071d4 [0,1,0,0,0,0|3,0,0]=4 445 B8R0.12 CC(C)(NCO)C(=O)O b9fb05c46397d03ef9aa863b94853bfb [0,1,0,0,0,0|2,0,0]=3 446 B8R0.12 CCNC(C)(C)C(=O)C cc6332268668580c950a0bb19a912075 [0,1,0,0,0,0|2,0,0]=3 447 B8R0.12 CCNC(C)(C)C(=O)N c9d91f1d91cd057da4582a1b54997e63 [0,1,0,0,0,0|2,0,0]=3 448 B8R0.12 CCNC(C)(C)C(=O)O 6a4bebf8bb98ff706835230f86b4cd13 [0,1,0,0,0,0|1,0,0]=2 449 B8R0.12 CCNC(C)(C)C(C)O 22b397df5f25ad3f637025e1a5979f01 [0,1,0,0,0,0|2,0,1]=4 450 B8R0.14 CCNC(C)C(C)(C)O c2b220c60842fefa41a65d95c0957306 [0,1,0,0,0,0|2,0,1]=4 451 B8R0.14 CCN[C@@H](C)C(C)(C)O 4cdfa28dee0510e65665c3d7949f63d0 [0,1,0,0,0,0|2,0,1]=4 452 B8R0.14 CCN[C@H](C)C(C)(C)O 9dd976226d1cb1ad5fe6d4e6329a3f53 [0,1,0,0,0,0|2,0,1]=4 453 B8R0.15 C#CC(OCC)C(=O)O ad5f5db2dc84c44b6973fc430054569b [0,1,0,0,0,0|1,0,1]=3 454 B8R0.15 C#CC(OCF)C(=O)O da8616f2b4b95281efb315c25eed2430 [0,1,0,0,0,0|2,0,1]=4 455 B8R0.15 C/C=C(\OCC)/C(=O)O ed3460e0bbe0f0b117145ec3b6c6a2c3 [0,1,0,0,0,0|1,0,1]=3 456 B8R0.15 C/C=C(\OCF)/C(=O)O af209843a60ee7b531c468eec34edb23 [0,1,0,0,0,0|2,0,1]=4 457 B8R0.15 C=CC(NCC)C(=O)O b4ac7d60381bf72b1b23118f771cafec [0,1,0,0,0,0|1,0,1]=3 458 B8R0.15 C=CC(NCF)C(=O)O 3b1cadf10156d31d21dabae90070459b [0,1,0,0,0,0|2,0,1]=4 459 B8R0.15 C=CC(NCO)C(=O)O 02434f0cc2ab88a157fbbfde94d9a490 [0,1,0,0,0,0|2,0,1]=4 460 B8R0.15 C=C[C@H](NCC)C(=O)O 5c2988d6d8a73101b114f1f85def6c90 [0,1,0,0,0,0|1,0,1]=3 461 B8R0.15 C=C[C@H](NCF)C(=O)O d143ab86678a93c80c8a056198d3e9e0 [0,1,0,0,0,0|2,0,1]=4 462 B8R0.15 C=C[C@H](NCO)C(=O)O 91a74614650e784312c5d23758a5a16b [0,1,0,0,0,0|2,0,1]=4 463 B8R0.15 CC(=O)N(CO)CCO acb82ab984ba21a7687fd8bef952a2a8 [0,1,0,0,0,0|3,0,0]=4 464 B8R0.15 CCC(NC#N)C(=O)O 76cd02262d29071da13818be79e9be49 [0,1,0,0,0,0|2,0,1]=4 465 B8R0.15 CCC(NCF)C(=O)N 9ab0d3256eb996f9dacf81a5a2263835 [0,1,0,0,0,0|3,0,0]=4 466 B8R0.15 CCC(NCF)C(=O)O 850ee032ff8e5d86c20bab43e234fbb6 [0,1,0,0,0,0|2,0,0]=3 467 B8R0.15 CCC(NCO)C(=O)N 956554908595c50f2bdd7ffbe771073d [0,1,0,0,0,0|3,0,0]=4 468 B8R0.15 CCC(NCO)C(=O)O db363ec4295a86c2fa409aac06a566a2 [0,1,0,0,0,0|2,0,0]=3 469 B8R0.15 CCC(OCF)C(=O)N ed707e77c84b0235027acde4f51a4a72 [0,1,0,0,0,0|3,0,0]=4 470 B8R0.15 CCC(OCF)C(=O)O ef6f04d4d4b7d499812df6ebe4668f47 [0,1,0,0,0,0|2,0,0]=3 471 B8R0.15 CCCN(CC)C(=O)C aaa318fb9f18848accdb9fbfd1cf28a8 [0,1,0,0,0,0|2,0,0]=3 472 B8R0.15 CCN(CCCl)C(=O)C 10dbbc5db7469d566a3048f4a18456a3 [0,1,0,0,0,0|3,0,0]=4 473 B8R0.15 CCN(CCO)C(=O)C 7d70110607468d775832ae23e9934092 [0,1,0,0,0,0|3,0,0]=4 474 B8R0.15 CCNC(C#N)C(=O)N 5c6cc89f2f2e4217355988ae0d5eb4aa [0,1,0,0,0,0|2,0,1]=4 475 B8R0.15 CCNC(CC)C(=O)N 4d4bbfd758d3d1406449d11a7d12f485 [0,1,0,0,0,0|2,0,0]=3 476 B8R0.15 CCNC(CC)C(=O)O 811bed40f759e9415b190b45b938f031 [0,1,0,0,0,0|1,0,0]=2 477 B8R0.15 CCNC(CCl)C(=O)O a1a6122a812437e412d0d064cc9dd1e8 [0,1,0,0,0,0|1,0,0]=2 478 B8R0.15 CCNC(CF)C(=O)O 017cf9dba405ee85cd9a648c4507e326 [0,1,0,0,0,0|1,0,0]=2 479 B8R0.15 CCNC(CO)C(=O)N 4333fef656a065c1ba68ae2f13ae5e8b [0,1,0,0,0,0|2,0,0]=3 480 B8R0.15 CCNC(CO)C(=O)O ebf98372f13717a9df2df682387bdc5a [0,1,0,0,0,0|1,0,0]=2 481 B8R0.15 CCNC(CO)C(C)O ad7aae7bb760d2e1b98c8ce7819bdc47 [0,1,0,0,0,0|2,0,1]=4 482 B8R0.15 CCNC(CS)C(=O)O 8d04389a625618eb9889b3cd17b2e8e6 [0,1,0,0,0,0|1,0,0]=2 483 B8R0.15 CCN[C@@H](CC)C(=O)N 2ecd0466ce0392cdd810df37e1818d79 [0,1,0,0,0,0|2,0,0]=3 484 B8R0.15 CCN[C@@H](CC)C(=O)O ad39164e8fc918d5e58308b586171474 [0,1,0,0,0,0|1,0,0]=2 485 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 9437a38f8b758cb0a592817dd3b24faf [0,1,0,0,0,0|2,0,1]=4 486 B8R0.15 CCN[C@@H](CCl)C(=O)O 81a0c413a80ec8dc4a086548b2e2f8a3 [0,1,0,0,0,0|1,0,0]=2 487 B8R0.15 CCN[C@@H](CO)C(=O)N 3e6763ebcb86b94e60fc4ae0e4be563a [0,1,0,0,0,0|2,0,0]=3 488 B8R0.15 CCN[C@@H](CO)C(=O)O e2d91799e466e2d5ad0fbeab938b0c5a [0,1,0,0,0,0|1,0,0]=2 489 B8R0.15 CCN[C@@H](CO)[C@@H](C)O 5e0a77cb5e13b8d713dfcb4bffbd9580 [0,1,0,0,0,0|2,0,1]=4 490 B8R0.15 CCN[C@@H](CO)[C@H](C)O e989700e5854e8bb09de2d57ba60972e [0,1,0,0,0,0|2,0,1]=4 491 B8R0.15 CCN[C@@H](CS)C(=O)O ecb0401bca4bb7db9d87809814f9d4f3 [0,1,0,0,0,0|1,0,0]=2 492 B8R0.15 CCN[C@H](CC)C(=O)O f7f7d1d8bf30d5fe2da91fe96021fe3c [0,1,0,0,0,0|1,0,0]=2 493 B8R0.15 CCN[C@H](CC)[C@@H](C)O 43ee27f39678641d94beb29c7dca4d14 [0,1,0,0,0,0|2,0,1]=4 494 B8R0.15 CCN[C@H](CC)[C@H](C)O 642a6caece15e7ad19edf53bc1e5c46e [0,1,0,0,0,0|2,0,1]=4 495 B8R0.15 CCN[C@H](CCl)C(=O)O 26dcc066f21950a5ba1142c74ad60cbc [0,1,0,0,0,0|1,0,0]=2 496 B8R0.15 CCN[C@H](CO)C(=O)O ceca2f5f870f50fddc0292e18011d619 [0,1,0,0,0,0|1,0,0]=2 497 B8R0.15 CCN[C@H](CO)[C@@H](C)O 6b6bcea404a72286553397ddb2dfec02 [0,1,0,0,0,0|2,0,1]=4 498 B8R0.15 CCN[C@H](CO)[C@H](C)O 63a966a5dd9e2873bf611f5e8b1501b7 [0,1,0,0,0,0|2,0,1]=4 499 B8R0.15 CCN[C@H](CS)C(=O)O 7c010ea0d3f5055c0e7214a8d340a87c [0,1,0,0,0,0|1,0,0]=2 500 B8R0.15 CCOC(CC)C(=O)N cc881244ff63cfdfd012c91254de1749 [0,1,0,0,0,0|2,0,0]=3 501 B8R0.15 CCOC(CC)C(=O)O 382aa920ebdd6f2bbe768902640ad9e2 [0,1,0,0,0,0|1,0,0]=2 502 B8R0.15 CCO[C@@H](CC)C(=O)O 94f5195873e16b29cb1b8369b5daad14 [0,1,0,0,0,0|1,0,0]=2 503 B8R0.15 CCO[C@H](CC)C(=O)O b8c9ca25086a8c61d2a1f7aecbcec13d [0,1,0,0,0,0|1,0,0]=2 504 B8R0.15 CCO[C@H](CF)C(=O)O afbab515ead87d58e6c9f68e24ff80d8 [0,1,0,0,0,0|1,0,0]=2 505 B8R0.15 CC[C@@H](NC#N)C(=O)O 88a898e4203ef234e769571e9f416da9 [0,1,0,0,0,0|2,0,1]=4 506 B8R0.15 CC[C@@H](NCF)C(=O)O 9592ba18488e06d007c56e3bb749b243 [0,1,0,0,0,0|2,0,0]=3 507 B8R0.15 CC[C@@H](NCO)C(=O)O 97715112de1ce5ecb2509133cc9cdaa1 [0,1,0,0,0,0|2,0,0]=3 508 B8R0.15 CC[C@@H](OCF)C(=O)O 04c614c037a7fb2cad756976721bea17 [0,1,0,0,0,0|2,0,0]=3 509 B8R0.15 CC[C@H](NC#N)C(=O)O 980ab87570d499158253b3f0ba64409b [0,1,0,0,0,0|2,0,1]=4 510 B8R0.15 CC[C@H](NCF)C(=O)N 75c0f415f49388ef58931a8345c05589 [0,1,0,0,0,0|3,0,0]=4 511 B8R0.15 CC[C@H](NCF)C(=O)O 92c72ae7fc2c9386004189c4ccda19a9 [0,1,0,0,0,0|2,0,0]=3 512 B8R0.15 CC[C@H](NCO)C(=O)N 447f79d1a4a79d049ea2d6100ab9facb [0,1,0,0,0,0|3,0,0]=4 513 B8R0.15 CC[C@H](NCO)C(=O)O 095847387652246d94b75d260940e322 [0,1,0,0,0,0|2,0,0]=3 514 B8R0.15 CC[C@H](OCF)C(=O)O c3e3503168943a92d052ee029c13c59a [0,1,0,0,0,0|2,0,0]=3 515 B8R0.15 N#CNC(CF)C(=O)O 1ac94b0909e5a5aec24ef75b1ca0ca1e [0,1,0,0,0,0|2,0,1]=4 516 B8R0.15 N#CNC(CO)C(=O)O 85541225f0b1b83215ba7d69a43d3feb [0,1,0,0,0,0|2,0,1]=4 517 B8R0.15 N#CN[C@@H](CO)C(=O)O 556ac31197e1570c7728b498d8b9b2f2 [0,1,0,0,0,0|2,0,1]=4 518 B8R0.15 N#CN[C@H](CO)C(=O)O 4cda9fa99b7d10a472e331756f21fbbe [0,1,0,0,0,0|2,0,1]=4 519 B8R0.15 NC(=O)C(CO)NCF 1c40122b6c01e2e59939fc3015ef9422 [0,1,0,0,0,0|3,0,0]=4 520 B8R0.15 NC(=O)C(CO)NCO e3c4b26575b76381928138874dd01f53 [0,1,0,0,0,0|3,0,0]=4 521 B8R0.15 NC(=O)[C@H](CO)NCF b5c869e8f2cc447978f8f59cdacbf863 [0,1,0,0,0,0|3,0,0]=4 522 B8R0.15 NC(=O)[C@H](CO)NCO 1ce572a1ecbf5c38dff74acb76ef6193 [0,1,0,0,0,0|3,0,0]=4 523 B8R0.15 O=C(O)C(CCl)NCF 345f20f31e3e9323b766d08f3e4d0312 [0,1,0,0,0,0|2,0,0]=3 524 B8R0.15 O=C(O)C(CCl)NCO 87909341b2a2401adb94a3e449acbeeb [0,1,0,0,0,0|2,0,0]=3 525 B8R0.15 O=C(O)C(CF)NCF 3c68b2ec2d74233cffc4fb4e71bbb94b [0,1,0,0,0,0|2,0,0]=3 526 B8R0.15 O=C(O)C(CF)NCO 8882ba16164d78cec81fe4b00fda2ae1 [0,1,0,0,0,0|2,0,0]=3 527 B8R0.15 O=C(O)C(CO)NCF 9eea1e72a00cd3dd12c33ca4052b702a [0,1,0,0,0,0|2,0,0]=3 528 B8R0.15 O=C(O)C(CO)NCO 81ff67930a96f8f373a876534f5a354d [0,1,0,0,0,0|2,0,0]=3 529 B8R0.15 O=C(O)C(CS)NCF d2bcc921a07d6c66ec8feced8008b3d2 [0,1,0,0,0,0|2,0,0]=3 530 B8R0.15 O=C(O)C(CS)NCO b3a632b39e14452fb76e40a3b45f1330 [0,1,0,0,0,0|2,0,0]=3 531 B8R0.15 O=C(O)[C@@H](CCl)NCF 0f4882ad0f84646d0776c613bf998da9 [0,1,0,0,0,0|2,0,0]=3 532 B8R0.15 O=C(O)[C@@H](CCl)NCO a657e82377b90be09b01db5df6746084 [0,1,0,0,0,0|2,0,0]=3 533 B8R0.15 O=C(O)[C@@H](CF)OCF 5ca8d51c8b5d5b379a86da0372761524 [0,1,0,0,0,0|2,0,0]=3 534 B8R0.15 O=C(O)[C@@H](CO)NCF b58ae15b4649cf9eff033a92ba589b35 [0,1,0,0,0,0|2,0,0]=3 535 B8R0.15 O=C(O)[C@@H](CO)NCO cfec0a60446fa32f24138a7f54bc9bb8 [0,1,0,0,0,0|2,0,0]=3 536 B8R0.15 O=C(O)[C@@H](CS)NCF f755fd948c7a145e65bf11358747b457 [0,1,0,0,0,0|2,0,0]=3 537 B8R0.15 O=C(O)[C@@H](CS)NCO 0f499f5952378dffba3785ff4ae4c019 [0,1,0,0,0,0|2,0,0]=3 538 B8R0.15 O=C(O)[C@H](CCl)NCF 750706009ff6f282f1ca980848f7e16b [0,1,0,0,0,0|2,0,0]=3 539 B8R0.15 O=C(O)[C@H](CCl)NCO 45f6f42413f314b49f1c79dfa3cea815 [0,1,0,0,0,0|2,0,0]=3 540 B8R0.15 O=C(O)[C@H](CO)NCF e3967553d1a093cbd0dce0f9d6a1e608 [0,1,0,0,0,0|2,0,0]=3 541 B8R0.15 O=C(O)[C@H](CO)NCO 08a1cdec07261d180e41b733dfd606d7 [0,1,0,0,0,0|2,0,0]=3 542 B8R0.15 O=C(O)[C@H](CS)NCF acd5dd73331d3e22705923fab1a8feaf [0,1,0,0,0,0|2,0,0]=3 543 B8R0.15 O=C(O)[C@H](CS)NCO 1ed62aac1780461a449b2c14b61eaf37 [0,1,0,0,0,0|2,0,0]=3 544 B8R0.23 CC(=O)C(C)OC(C)C 2d86abe06727762a40b9ab2fefeb12d2 [0,1,0,0,0,0|2,0,0]=3 545 B8R0.23 CC(=O)N(C)CC(C)C 89cec52088ed29050ddede06aaad4a16 [0,1,0,0,0,0|2,0,0]=3 546 B8R0.23 CC(=O)N(C)CC(C)O 4e9ef38fdc27d4895833669b87ebf855 [0,1,0,0,0,0|2,0,0]=3 547 B8R0.23 CC(=O)N(C)CC(F)F b0ba98dc396dbab8e5e9f0bdf2b1b2d6 [0,1,0,0,0,0|3,0,0]=4 548 B8R0.23 CC(=O)N(C)C[C@H](C)O 021150eee8136a4b9cf5a9a8729a45c5 [0,1,0,0,0,0|2,0,0]=3 549 B8R0.23 CC(=O)NC(C)C(=O)N 69ea1b0fb4e1891bc844e1c81cd6f7ed [0,1,0,0,0,0|2,0,1]=4 550 B8R0.23 CC(=O)N[C@@H](C)C(=O)N 1daed479b13f5a4dee80df6bef80207a [0,1,0,0,0,0|2,0,1]=4 551 B8R0.23 CC(=O)N[C@H](C)C(=O)N d4ac5a93c8007d546d5eddc7f5fb26e4 [0,1,0,0,0,0|2,0,1]=4 552 B8R0.23 CC(C)NC(C)C(=O)N a5bc7ca7b26f70e25af65a6a1a9f3a6a [0,1,0,0,0,0|2,0,0]=3 553 B8R0.23 CC(C)NC(C)C(=O)O 14fb43a096987787a4c4cfde0de411d4 [0,1,0,0,0,0|1,0,0]=2 554 B8R0.23 CC(C)NC(C)C(C)O 01387dcbac0883ebe4aacdad9c9a44bc [0,1,0,0,0,0|2,0,1]=4 555 B8R0.23 CC(C)NC(O)C(=O)O 9854a2bbdccc28b8651cc97fd5606c53 [0,1,0,0,0,0|2,0,0]=3 556 B8R0.23 CC(C)N[C@@H](C)C(=O)N 5f6838b5769e3be13957b346a9b1c5a9 [0,1,0,0,0,0|2,0,0]=3 557 B8R0.23 CC(C)N[C@@H](C)C(=O)O 97090174d192ee499ea4beaa2fe31161 [0,1,0,0,0,0|1,0,0]=2 558 B8R0.23 CC(C)N[C@H](C)C(=O)N 218299f571bd8ab6e55ebde7f90f3dc6 [0,1,0,0,0,0|2,0,0]=3 559 B8R0.23 CC(C)N[C@H](C)C(=O)O 1a6c2905adf438d6c173d7efe8c0cadc [0,1,0,0,0,0|1,0,0]=2 560 B8R0.23 CC(C)OC(C)C(=O)N 3cee39f49921ab19917bac674ad05970 [0,1,0,0,0,0|2,0,0]=3 561 B8R0.23 CC(C)OC(C)C(=O)O 0a58b34c739ceb5a5963c9b3548f472a [0,1,0,0,0,0|1,0,0]=2 562 B8R0.23 CC(C)OC(F)C(=O)N 4e500a655b0251a68623c9a9bac567cd [0,1,0,0,0,0|3,0,0]=4 563 B8R0.23 CC(C)O[C@@H](C)C(=O)N 57a65b88062516ea8512ca985e4b20b1 [0,1,0,0,0,0|2,0,0]=3 564 B8R0.23 CC(C)O[C@@H](C)C(=O)O 3e6aa85ab276fb2f3b41c452e067b375 [0,1,0,0,0,0|1,0,0]=2 565 B8R0.23 CC(C)O[C@H](C)C(=O)N 15e236e43a73c1d83142b60899c44aff [0,1,0,0,0,0|2,0,0]=3 566 B8R0.23 CC(C)O[C@H](C)C(=O)O 3c1a1d8dc45ffece35d6cbe571959a73 [0,1,0,0,0,0|1,0,0]=2 567 B8R1.7 CC(=O)N1CCSC1 df98add89dd15161c9f678ec3ecd18ec [0,0,0,1,0,0|3,0,0]=4 568 B8R1.13 CCNC1CCC1O fb70cd93332b5942b9400efe3b54dca5 [0,0,0,1,0,0|2,0,1]=4 569 B8R1.13 CCNC1COC1C 374ee97892517da30cf5002a479f4531 [0,0,0,1,0,0|2,0,1]=4 570 B8R1.13 CCN[C@@H]1CC[C@@H]1O a44a1131ac7553e4f969af4276e28d55 [0,0,0,1,0,0|2,0,1]=4 571 B8R1.13 CCN[C@@H]1CC[C@H]1O 4f0278655b9d968ff2d102bbaed0b37a [0,0,0,1,0,0|2,0,1]=4 572 B8R1.13 CCN[C@H]1CC[C@@H]1O 3bed658078592c5d2659e64ff05d8887 [0,0,0,1,0,0|2,0,1]=4 573 B8R1.13 CCN[C@H]1CC[C@H]1O 89451e4a9e80a1548ed036e94f478963 [0,0,0,1,0,0|2,0,1]=4 574 B8R1.13 CCN[C@H]1CNC1=O f3f57bd052f649487c4a2d7e92b0d01a [0,0,0,1,0,0|2,0,0]=3 575 B8R1.13 CCOC1CCC1=O 3dbc6f04881f51171a4de09e2024a401 [0,0,0,1,0,0|2,0,0]=3 576 B8R1.13 CCOC1COC1C 292e3380dc65ec96d8cfb63b3a1d4796 [0,0,0,1,0,0|2,0,1]=4 577 B8R1.13 O=C1CCC1OCF acbe5648e5fa1bf2d12fcf8dac78f593 [0,0,0,1,0,0|3,0,0]=4 578 B8R1.13 O=C1NC[C@@H]1NCF 0d76b77004abe2bde2fffde83ac370da [0,0,0,1,0,0|3,0,0]=4 579 B8R1.13 O=C1NC[C@@H]1NCO 13e7ef24d5bda6a447193e9ab8c1b3ed [0,0,0,1,0,0|3,0,0]=4 580 B8R1.23 CC(=O)N1CC(C1)F cba0abc01d5766c34fe5531513946933 [0,0,0,1,0,0|3,0,0]=4 581 B8R1.23 CC(=O)N1CC(C1)O 77ab01a2253fd049b876c0a3e724463e [0,0,0,1,0,0|3,0,0]=4 582 B8R1.54 CC(=O)N(C)C1CC1 61fc6600543372561e48e4dacdc6032f [0,0,0,1,0,0|2,0,0]=3 583 B8R0.5 C#CCN(C)CC(=O)O 9abb39fbf4cdcac02269d67e50e724b5 [0,0,0,0,0,1|1,0,2]=4 584 B8R0.5 C=C(Br)CN(C)CCC fb2b399db1881507b03f49296dad3a42 [0,0,0,0,0,1|3,0,0]=4 585 B8R0.5 C=C(C)CN(C)CCC 67a547626d9fe48bc4d555dd9d8ee25d [0,0,0,0,0,1|3,0,0]=4 586 B8R0.5 C=C(Cl)CN(C)CCC 40fce807c5ffbcb654536672bed9a3b8 [0,0,0,0,0,1|3,0,0]=4 587 B8R0.5 C=CCN(C)CC(=O)O 7ee8ca05079b6f72d0f00781a2b17cdf [0,0,0,0,0,1|1,0,2]=4 588 B8R0.5 CC(=O)NC(C)CC#N 4c1eec26fa88af811b86b8c3ab1a2be6 [0,0,0,0,0,1|2,0,1]=4 589 B8R0.5 CC(=O)NC(C)CCO 31015bb8805fb64762d130a6b4b7d734 [0,0,0,0,0,1|2,0,0]=3 590 B8R0.5 CC(=O)N[C@@H](C)CCO 4818866c214b230552dc5531d2d7dacb [0,0,0,0,0,1|2,0,0]=3 591 B8R0.5 CC(=O)N[C@H](C)CCO d4f1175f550aed36e673eb7917598f76 [0,0,0,0,0,1|2,0,0]=3 592 B8R0.5 CC(CC(=O)N)OCF 3e264f2c27636c1a0f540c1f468797f4 [0,0,0,0,0,1|3,0,0]=4 593 B8R0.5 CC(CC(=O)O)NC#N 2707038014831afc2ce40ae6d3c44c2b [0,0,0,0,0,1|2,0,1]=4 594 B8R0.5 CC(CC(=O)O)NCF 84d4be16e4ac304aaa68ed4d36823324 [0,0,0,0,0,1|2,0,0]=3 595 B8R0.5 CC(CC(=O)O)NCO 10996b09f91fab84edb45bd9880e2318 [0,0,0,0,0,1|2,0,0]=3 596 B8R0.5 CC(CC(=O)O)OCF 14e16352da0b978e8e37b50cbc803026 [0,0,0,0,0,1|2,0,0]=3 597 B8R0.5 CCCC(C)NC(=O)C 1ed0caa6bab6b1d79a8ed0b0c0e539ad [0,0,0,0,0,1|1,0,0]=2 598 B8R0.5 CCCC(C)NC(C)C f8bb5c8de6d4ec16bb81d8451bfb16da [0,0,0,0,0,1|2,0,1]=4 599 B8R0.5 CCCC(C)OC(C)C af28c67907ad8e9b80a1443e1881a09f [0,0,0,0,0,1|2,0,1]=4 600 B8R0.5 CCCN(C)CC(=O)N eac556bb053ce72a83d81df49c8f321b [0,0,0,0,0,1|2,0,0]=3 601 B8R0.5 CCCN(C)CC(=O)O afce971a9549e09777d29f9620e7b765 [0,0,0,0,0,1|1,0,0]=2 602 B8R0.5 CCCN(C)CC(C)O ba71d19aa94a205bc2a8e63dac164472 [0,0,0,0,0,1|2,0,1]=4 603 B8R0.5 CCCN(C)C[C@@H](C)O e21d8a4c9925e7ebdd999960638ddfd2 [0,0,0,0,0,1|2,0,1]=4 604 B8R0.5 CCCN(C)C[C@H](C)O 8866f4aefe80bbaf9ef0e79e608206ab [0,0,0,0,0,1|2,0,1]=4 605 B8R0.5 CCCN(C)C[N+](=O)[O-] 1da16b4d827595081bb5ff08735265aa [0,0,0,0,0,1|2,0,1]=4 606 B8R0.5 CCC[C@@H](C)OC(C)C 38af500727caf5ac56759d6ba34645ea [0,0,0,0,0,1|2,0,1]=4 607 B8R0.5 CCC[C@H](C)NC(=O)C 95c9eaebbb0a0de223f5b617f08585d8 [0,0,0,0,0,1|1,0,0]=2 608 B8R0.5 CCC[C@H](C)NC(C)C f5cc882f68b964118786668968029765 [0,0,0,0,0,1|2,0,1]=4 609 B8R0.5 CCC[C@H](C)OC(C)C 39fe789680e7206034f6b275f2ba377c [0,0,0,0,0,1|2,0,1]=4 610 B8R0.5 CCNC(C)CC(=O)O 29ac9bd89e468a34801bb550215ba942 [0,0,0,0,0,1|1,0,0]=2 611 B8R0.5 CCNC(C)CC(C)O 43b202ae8ff1647314607d5a8e6eab62 [0,0,0,0,0,1|2,0,1]=4 612 B8R0.5 CCN[C@@H](C)CC(=O)O 40a529d5929c8901c8f2b9599ed898cd [0,0,0,0,0,1|1,0,0]=2 613 B8R0.5 CCN[C@H](C)CC(=O)O 2f28d4f7bc57f1ad1bf5a4eebcdf11f3 [0,0,0,0,0,1|1,0,0]=2 614 B8R0.5 CCOC(C)CC(=O)N a247fc098cd9bc50b0c7b9371cf4fcb5 [0,0,0,0,0,1|2,0,0]=3 615 B8R0.5 CCOC(C)CC(=O)O 20f52735b4f115013d658aa30fd851a1 [0,0,0,0,0,1|1,0,0]=2 616 B8R0.5 CCOC(C)C[N+](=O)[O-] b27ec23ecb023bda7a5b2b5d22939688 [0,0,0,0,0,1|2,0,1]=4 617 B8R0.5 CCO[C@@H](C)CC(=O)O 2297bbd28bfec2b7a3315f1a1eca242e [0,0,0,0,0,1|1,0,0]=2 618 B8R0.5 CCO[C@H](C)CC(=O)O ccc8e46cafa360247330bb81a3001d13 [0,0,0,0,0,1|1,0,0]=2 619 B8R0.5 CN(CC#N)CC(=O)O bc896e10abdeff2aa8e14b2e3c6e86cb [0,0,0,0,0,1|2,0,1]=4 620 B8R0.5 CN(CC=O)CC(=O)O 4f16c2423e66def517d0d42510089596 [0,0,0,0,0,1|2,0,1]=4 621 B8R0.5 CN(CCF)CC(=O)N d26c9ff0c6aeb9650633740b8e8fbdd2 [0,0,0,0,0,1|3,0,0]=4 622 B8R0.5 CN(CCF)CC(=O)O 378a586b4ce9b0291e7e9d64e15c1748 [0,0,0,0,0,1|2,0,0]=3 623 B8R0.5 CN(CCO)CC(=O)N 0888a0a37efb8cd042350a61e8c75fb4 [0,0,0,0,0,1|3,0,0]=4 624 B8R0.5 CN(CCO)CC(=O)O e22eedcab85615a7cb9a01481995f5a1 [0,0,0,0,0,1|2,0,0]=3 625 B8R0.5 CN(CCS)CC(=O)N ac27f0a2a25a3457ae9c334515a984f5 [0,0,0,0,0,1|3,0,0]=4 626 B8R0.5 CN(CCS)CC(=O)O 20a126cdeaa5b2f572a540b4b00dcdb8 [0,0,0,0,0,1|2,0,0]=3 627 B8R0.5 COCC(C)NC(=O)C d3030be71efb57415a6640caba792cb5 [0,0,0,0,0,1|2,0,0]=3 628 B8R0.5 COCN(C)CC(=O)N 883b5fd21ac0fa4c080e391aedf41537 [0,0,0,0,0,1|3,0,0]=4 629 B8R0.5 COCN(C)CC(=O)O 38182438be3a4fb938d35352c6bcaa17 [0,0,0,0,0,1|2,0,0]=3 630 B8R0.5 COC[C@@H](C)NC(=O)C e26de4ebd7327dac480ea010b3a6df2f [0,0,0,0,0,1|2,0,0]=3 631 B8R0.5 COC[C@H](C)NC(=O)C 4d6a771b34650f584286aeb4b67fe92b [0,0,0,0,0,1|2,0,0]=3 632 B8R0.5 CSCN(C)CC(=O)N 95b0cce82a1be92513ca60f76f2c4e94 [0,0,0,0,0,1|3,0,0]=4 633 B8R0.5 CSCN(C)CC(=O)O f4126c72edd8ab40e4f0e1149e0c0772 [0,0,0,0,0,1|2,0,0]=3 634 B8R0.5 C[C@@H](CC(=O)O)NCF 7b4409b263377324cee992cead4d4496 [0,0,0,0,0,1|2,0,0]=3 635 B8R0.5 C[C@@H](CC(=O)O)NCO 6f9af837429cbf13d74a82abb33116db [0,0,0,0,0,1|2,0,0]=3 636 B8R0.5 C[C@@H](CC(=O)O)OCF 3a1dfbb8c5aec4e4079809a87b6b3981 [0,0,0,0,0,1|2,0,0]=3 637 B8R0.5 C[C@H](CC(=O)O)NCF 6a82f1327e74ba81c2a6e57eb4cb9aac [0,0,0,0,0,1|2,0,0]=3 638 B8R0.5 C[C@H](CC(=O)O)NCO 3ee6882c6b18b0aec7272fad595282f5 [0,0,0,0,0,1|2,0,0]=3 639 B8R0.5 C[C@H](CC(=O)O)OCF 913e08b306bc95c6771408b42aad5ed2 [0,0,0,0,0,1|2,0,0]=3 640 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [2,0,0,0,0,0|1,0,1]=4 641 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [2,0,0,0,0,0|1,0,0]=3 642 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [2,0,0,0,0,0|1,0,1]=4 643 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [2,0,0,0,0,0|1,0,1]=4 644 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [2,0,0,0,0,0|2,0,0]=4 645 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [2,0,0,0,0,0|2,0,0]=4 646 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [2,0,0,0,0,0|2,0,0]=4 647 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [2,0,0,0,0,0|2,0,0]=4 648 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [2,0,0,0,0,0|2,0,0]=4 649 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [2,0,0,0,0,0|1,0,0]=3 650 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [2,0,0,0,0,0|1,0,1]=4 651 B7R0.2 C=CC(C)NC(C)C 538c1af40a959f36dd21007158f94b60 [1,1,0,0,0,0|2,0,0]=4 652 B7R0.2 C=CC(C)OC(C)C 532c4624b978961a1c4eda7e3050b228 [1,1,0,0,0,0|2,0,0]=4 653 B7R0.2 C=C[C@H](C)OC(C)C 0e0bab0a84cd6e94202f911cf430b03e [1,1,0,0,0,0|2,0,0]=4 654 B7R0.2 CC(C)CN(C)C=O b4351ddc68e0590149228e0a5cd05648 [1,1,0,0,0,0|1,0,0]=3 655 B7R0.2 CC(C)CN(C)CO 0b6bf7cc82aa91188fc000497729e3d4 [1,1,0,0,0,0|1,0,1]=4 656 B7R0.2 CC(C)NC(C)CO 7d97b958c7e2d8819c7c1f63bb18ce94 [1,1,0,0,0,0|1,0,1]=4 657 B7R0.2 CC(C)N[C@@H](C)CO cb1d68f0941324aa0f3206f5b48bd94c [1,1,0,0,0,0|1,0,1]=4 658 B7R0.2 CC(C)N[C@H](C)CO f1b0a39369263dcbc11a080cbeb93c35 [1,1,0,0,0,0|1,0,1]=4 659 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [1,1,0,0,0,0|1,0,0]=3 660 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [1,1,0,0,0,0|1,0,0]=3 661 B7R0.2 CC(O)CN(C)C=O 327f1a278ffacbbe3e88f0ce0c9edbdc [1,1,0,0,0,0|1,0,0]=3 662 B7R0.2 CC(O)CN(C)CO 3b7f6558a4b553a3af9a1035d866a39e [1,1,0,0,0,0|1,0,1]=4 663 B7R0.2 CN(C=O)CC(F)F 404a25a6927f94afdcbf48eb95fbc13d [1,1,0,0,0,0|2,0,0]=4 664 B7R0.2 C[C@H](O)CN(C)C=O 25d41e47dcdadeb17ce6f98cdd60ebbc [1,1,0,0,0,0|1,0,0]=3 665 B7R0.2 C[C@H](O)CN(C)CO c3ae4b5b307547a59cb2b787e087330e [1,1,0,0,0,0|1,0,1]=4 666 B7R0.3 C#CC(C)NCCC 0f597b1bca0c5618e6a85d1db7ea6731 [1,1,0,0,0,0|1,0,1]=4 667 B7R0.3 C#CC(C)OCCC c2d572d3a7d4f8e4badc3f3253860e31 [1,1,0,0,0,0|1,0,1]=4 668 B7R0.3 C#CCCN(C)C=O 125766f3203296343dccf9d807927bcd [1,1,0,0,0,0|1,0,1]=4 669 B7R0.3 C#CCNC(C)C=O 8a80a6d3188851c8aa12e1e598927010 [1,1,0,0,0,0|0,0,2]=4 670 B7R0.3 C#CCN[C@H](C)C=O 8faab6e2c8060fcb11bf9cb31dde2a6b [1,1,0,0,0,0|0,0,2]=4 671 B7R0.3 C#CCOC(C)C=O 5e078bffbbf24660e1e42ec455de06b7 [1,1,0,0,0,0|0,0,2]=4 672 B7R0.3 C#CCO[C@H](C)C=O 3dffa8d1b413bae459ea6e9776898d1a [1,1,0,0,0,0|0,0,2]=4 673 B7R0.3 C#C[C@@H](C)NCCC 27ba225c67029d8236c87fc6721fad3a [1,1,0,0,0,0|1,0,1]=4 674 B7R0.3 C#C[C@@H](C)OCCC a39fbb6b92cf783620dba7ac3eacba0f [1,1,0,0,0,0|1,0,1]=4 675 B7R0.3 C#C[C@H](C)NCCC 870e3ac73d57aa9963af4d33ccaf86fd [1,1,0,0,0,0|1,0,1]=4 676 B7R0.3 C#C[C@H](C)OCCC 8d5793d1e4a3c963bf10c09c5da5ac91 [1,1,0,0,0,0|1,0,1]=4 677 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [1,1,0,0,0,0|0,0,2]=4 678 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [1,1,0,0,0,0|1,0,0]=3 679 B7R0.3 C=CC(C)COCF 94166e7d56c97db7f73328a301d86af6 [1,1,0,0,0,0|2,0,0]=4 680 B7R0.3 C=CC(C)NCCBr b356883a0dc70704108470357c5d7d32 [1,1,0,0,0,0|2,0,0]=4 681 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [1,1,0,0,0,0|1,0,0]=3 682 B7R0.3 C=CC(C)NCCF 077bbc22cd0a8dcb78cded6a2db45aa7 [1,1,0,0,0,0|2,0,0]=4 683 B7R0.3 C=CC(C)NCCI ac7ae81e417980ca8ecb87af514042e3 [1,1,0,0,0,0|2,0,0]=4 684 B7R0.3 C=CC(C)NCCO 86960b6d278df2bdab9b0f12b5036032 [1,1,0,0,0,0|2,0,0]=4 685 B7R0.3 C=CC(C)NCCS f0ada7e973c6d56f24d465f4dbaba074 [1,1,0,0,0,0|2,0,0]=4 686 B7R0.3 C=CC(C)NCOC d8682dad21d615dadf36671471b4c9fe [1,1,0,0,0,0|2,0,0]=4 687 B7R0.3 C=CC(C)NCSC 00b0f67e17f5d1856f1ea6c73d24d2b6 [1,1,0,0,0,0|2,0,0]=4 688 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [1,1,0,0,0,0|1,0,0]=3 689 B7R0.3 C=CC(C)OCCF c4042df7cc19bde943cbddaef845e060 [1,1,0,0,0,0|2,0,0]=4 690 B7R0.3 C=CC(C)OCCS 678429951381d6b0018777cbf0867dfc [1,1,0,0,0,0|2,0,0]=4 691 B7R0.3 C=CC(C)OCOC 7dfff84d56617c217e04946b11681e6b [1,1,0,0,0,0|2,0,0]=4 692 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [1,1,0,0,0,0|2,0,0]=4 693 B7R0.3 C=CC(O)CNCC 6606560bfc6ac678a6e77f699b5ea9b4 [1,1,0,0,0,0|2,0,0]=4 694 B7R0.3 C=CCCN(C)C=O adf6557a42cae72b9ac47eaa39c6c3f7 [1,1,0,0,0,0|1,0,1]=4 695 B7R0.3 C=CCOC(C)C=O 6657ba082e9c102df1bd1e051b83669e [1,1,0,0,0,0|0,0,2]=4 696 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [1,1,0,0,0,0|1,0,0]=3 697 B7R0.3 C=C[C@H](C)OCCF 7f042cd75a5ba0def48be8560ce23a60 [1,1,0,0,0,0|2,0,0]=4 698 B7R0.3 C=C[C@H](C)OCCS db8d09200d0a97bd0c688972016cc7f4 [1,1,0,0,0,0|2,0,0]=4 699 B7R0.3 C=C[C@H](C)OCOC 7f6d09d69f15e79837c2da39f85862eb [1,1,0,0,0,0|2,0,0]=4 700 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [1,1,0,0,0,0|2,0,0]=4 701 B7R0.3 CC(C=O)NCC#N 127301cbe7cdf76d3d0981fbc706d46e [1,1,0,0,0,0|1,0,1]=4 702 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [1,1,0,0,0,0|1,0,0]=3 703 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [1,1,0,0,0,0|1,0,0]=3 704 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [1,1,0,0,0,0|1,0,0]=3 705 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [1,1,0,0,0,0|1,0,0]=3 706 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [1,1,0,0,0,0|1,0,0]=3 707 B7R0.3 CC(C=O)OCC#N 63783513853e77240eef1d91c3d59345 [1,1,0,0,0,0|1,0,1]=4 708 B7R0.3 CC(C=O)OCC=O 216dc0b62aef64aacebb34095641e5d6 [1,1,0,0,0,0|1,0,1]=4 709 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [1,1,0,0,0,0|1,0,0]=3 710 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [1,1,0,0,0,0|1,0,0]=3 711 B7R0.3 CC(CO)CNCF 8062cd63b1d1a450c851a630bc24bbef [1,1,0,0,0,0|1,0,1]=4 712 B7R0.3 CC(CO)CNCO 21fb23aa708a9b1afe928be1d7d3777a [1,1,0,0,0,0|1,0,1]=4 713 B7R0.3 CC(CO)NCCBr 9d4fd176b9f7156afcd17616b9df73f4 [1,1,0,0,0,0|1,0,1]=4 714 B7R0.3 CC(CO)NCCF 3fb2f9d7a1fb44ff3a81b0f43c3cecd1 [1,1,0,0,0,0|1,0,1]=4 715 B7R0.3 CC(CO)NCCI 5c0bfbc53939f51e926c19c25f286c71 [1,1,0,0,0,0|1,0,1]=4 716 B7R0.3 CC(CO)NCCO 5cd093cef9425d970f2779cfd472d185 [1,1,0,0,0,0|1,0,1]=4 717 B7R0.3 CC(CO)NCCS 7e1b4b642ac91e5af00fd08799aa6e2e [1,1,0,0,0,0|1,0,1]=4 718 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [1,1,0,0,0,0|1,0,0]=3 719 B7R0.3 CCCCN(C)CO 3f062a8d7718607e7a9f891ee2c89bec [1,1,0,0,0,0|1,0,1]=4 720 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [1,1,0,0,0,0|1,0,1]=4 721 B7R0.3 CCCNC(C)C#N e68d5a808283376392b45cfe49aa2551 [1,1,0,0,0,0|1,0,1]=4 722 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [1,1,0,0,0,0|0,0,0]=2 723 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [1,1,0,0,0,0|1,0,1]=4 724 B7R0.3 CCCNC(C)CO ef58a4cf57fdde87a0f1c08020c4e142 [1,1,0,0,0,0|0,0,1]=3 725 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [1,1,0,0,0,0|1,0,1]=4 726 B7R0.3 CCCN[C@@H](C)CO 9717e8befa87e4e1275959dce684e068 [1,1,0,0,0,0|0,0,1]=3 727 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [1,1,0,0,0,0|0,0,0]=2 728 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [1,1,0,0,0,0|1,0,1]=4 729 B7R0.3 CCCN[C@H](C)CO 7bbdc293a56e3b9e5394e782c67eaddd [1,1,0,0,0,0|0,0,1]=3 730 B7R0.3 CCCOC(C)C#N 3bbed55fa64cdbf50db9e06b38c864a7 [1,1,0,0,0,0|1,0,1]=4 731 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [1,1,0,0,0,0|0,0,0]=2 732 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [1,1,0,0,0,0|1,0,1]=4 733 B7R0.3 CCCOC(C)CF 9754423e03bd9c1680aa4f64130d3218 [1,1,0,0,0,0|1,0,1]=4 734 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [1,1,0,0,0,0|0,1,1]=4 735 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [1,1,0,0,0,0|1,0,1]=4 736 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [1,1,0,0,0,0|0,0,0]=2 737 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [1,1,0,0,0,0|1,0,1]=4 738 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [1,1,0,0,0,0|0,1,1]=4 739 B7R0.3 CCNCC(C)C#N 1b59514d6c984e33a792bbce41493380 [1,1,0,0,0,0|1,0,1]=4 740 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [1,1,0,0,0,0|1,0,1]=4 741 B7R0.3 CCNCC(C)CO ded6e5c82cb05dc8e16cf8630e1ca3b5 [1,1,0,0,0,0|0,0,1]=3 742 B7R0.3 CCNCC(F)CO 117f22342a13aa75ee6537d043ca9a79 [1,1,0,0,0,0|1,0,1]=4 743 B7R0.3 CCNCC(O)CO 912f6e9829a436a31980d4e7e51ccc17 [1,1,0,0,0,0|1,0,1]=4 744 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [1,1,0,0,0,0|1,0,1]=4 745 B7R0.3 CCNC[C@@H](C)OC 6e88fe4f7175c837d5238f2168d0e9a3 [1,1,0,0,0,0|2,0,0]=4 746 B7R0.3 CCNC[C@@H](F)CO 67c2661f5a7f3a3662b0ed433a86c18e [1,1,0,0,0,0|1,0,1]=4 747 B7R0.3 CCNC[C@@H](O)CO 3dd3012db0550f06ef7a0ae24c6afc49 [1,1,0,0,0,0|1,0,1]=4 748 B7R0.3 CCNC[C@H](C)CO ef051a7bca96170e9f6bad04a99231e7 [1,1,0,0,0,0|0,0,1]=3 749 B7R0.3 CCNC[C@H](C)OC 0584eeded494335d50fae9461e407d42 [1,1,0,0,0,0|2,0,0]=4 750 B7R0.3 CCNC[C@H](F)CO f2842022ba0aab28ac2537444b2b8a9e [1,1,0,0,0,0|1,0,1]=4 751 B7R0.3 CCNC[C@H](O)CO f2bf6c02d84b0a754d29868d7e541576 [1,1,0,0,0,0|1,0,1]=4 752 B7R0.3 CCOC/C(=C/I)/C 92df24ec990a3895db2ac49e1b5a7038 [1,1,0,0,0,0|1,0,1]=4 753 B7R0.3 CCOCC(=CI)C fb53346fffa55ab558f152fe4ff2ec43 [1,1,0,0,0,0|1,0,1]=4 754 B7R0.3 CCOCC(C)C#N fb9ba785541d03acabb35183d7927e09 [1,1,0,0,0,0|1,0,1]=4 755 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [1,1,0,0,0,0|1,0,1]=4 756 B7R0.3 CCOCC(C)OC 00214de46f1604d32f121bd91c115789 [1,1,0,0,0,0|2,0,0]=4 757 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [1,1,0,0,0,0|1,0,1]=4 758 B7R0.3 CCOC[C@@H](C)OC ecceb3df9b78b58b5b76fdc0f6911e92 [1,1,0,0,0,0|2,0,0]=4 759 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [1,1,0,0,0,0|1,0,1]=4 760 B7R0.3 CCOC[C@H](C)OC fd13d8de7d92a89af8eab0e711a6bd02 [1,1,0,0,0,0|2,0,0]=4 761 B7R0.3 CN(C=O)CCC#N c9fb209356e5efd88139356a9a10ffcc [1,1,0,0,0,0|1,0,1]=4 762 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [1,1,0,0,0,0|1,0,0]=3 763 B7R0.3 CN(C=O)CCON d47ef5089d159dbeeea35383bc86b277 [1,1,0,0,0,0|2,0,0]=4 764 B7R0.3 CN(CO)CCCO 50d216450d408b356dcec2a42a299a65 [1,1,0,0,0,0|1,0,1]=4 765 B7R0.3 COCCN(C)C=O 31e1cd7ac14afa72fee2870fbd09d003 [1,1,0,0,0,0|1,0,0]=3 766 B7R0.3 COCCN(C)CO f3ab77dcf49e4ea629dcebe32a49a2b1 [1,1,0,0,0,0|1,0,1]=4 767 B7R0.3 COCNC(C)CO d9fc4f8dca5bf8aac173b2beda690449 [1,1,0,0,0,0|1,0,1]=4 768 B7R0.3 COCN[C@@H](C)CO 9f63bce992902a4f83c57ec0b08063e7 [1,1,0,0,0,0|1,0,1]=4 769 B7R0.3 COCN[C@H](C)CO c2d3c8f32c0c9b24129dc2255add4931 [1,1,0,0,0,0|1,0,1]=4 770 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [1,1,0,0,0,0|1,0,0]=3 771 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [1,1,0,0,0,0|1,0,0]=3 772 B7R0.3 CSCCN(C)C=O a6a4e8ea5b94212ce62d31147e5f4a78 [1,1,0,0,0,0|1,0,0]=3 773 B7R0.3 CSCCN(C)CO 3bce2c59e540fe3e66c7fb7a4d29cc3f [1,1,0,0,0,0|1,0,1]=4 774 B7R0.3 CSCNC(C)CO 6d4e5438054fc7d727ab269c682f1f18 [1,1,0,0,0,0|1,0,1]=4 775 B7R0.3 CSCN[C@@H](C)CO 902809602258c785ac8e71bdd59c992c [1,1,0,0,0,0|1,0,1]=4 776 B7R0.3 CSCN[C@H](C)CO a6e9f797fabfba51a16375762c3c5872 [1,1,0,0,0,0|1,0,1]=4 777 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [1,1,0,0,0,0|1,0,0]=3 778 B7R0.3 C[C@@H](CO)NCCBr 5bfdda3a2e7eed27dfaa991ff0ef97da [1,1,0,0,0,0|1,0,1]=4 779 B7R0.3 C[C@@H](CO)NCCF c52aa10a04722f940d2009fa7a4930ad [1,1,0,0,0,0|1,0,1]=4 780 B7R0.3 C[C@@H](CO)NCCI 6bdc75e50c6dc3234bc69f090327544f [1,1,0,0,0,0|1,0,1]=4 781 B7R0.3 C[C@@H](CO)NCCO f533b151726db8df114b2e138c242e75 [1,1,0,0,0,0|1,0,1]=4 782 B7R0.3 C[C@@H](CO)NCCS 7391d6153b1cb03960b0fd4a99934217 [1,1,0,0,0,0|1,0,1]=4 783 B7R0.3 C[C@H](C=O)NCC#N 9b1d30d7284bc89f6f0ba6960b607cac [1,1,0,0,0,0|1,0,1]=4 784 B7R0.3 C[C@H](C=O)NCCBr 1c88aafc7cf0e6ecf5a695c971d96c26 [1,1,0,0,0,0|1,0,0]=3 785 B7R0.3 C[C@H](C=O)NCCF 312336c63755d0cb499e935eb3842567 [1,1,0,0,0,0|1,0,0]=3 786 B7R0.3 C[C@H](C=O)NCCI 365ac184287fbb3cff12bb64cb86f31d [1,1,0,0,0,0|1,0,0]=3 787 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [1,1,0,0,0,0|1,0,0]=3 788 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [1,1,0,0,0,0|1,0,0]=3 789 B7R0.3 C[C@H](C=O)OCC#N a51c72275e2be0c3e4b80eaa109e7244 [1,1,0,0,0,0|1,0,1]=4 790 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [1,1,0,0,0,0|1,0,0]=3 791 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [1,1,0,0,0,0|1,0,0]=3 792 B7R0.3 C[C@H](CO)CNCF f5548f2764a66a9258eff90a77f81616 [1,1,0,0,0,0|1,0,1]=4 793 B7R0.3 C[C@H](CO)CNCO e7c0a7e8a9580f5a7445a0921a5a0780 [1,1,0,0,0,0|1,0,1]=4 794 B7R0.3 C[C@H](CO)NCCBr cfab7907db9e63f890c879384e24e5b4 [1,1,0,0,0,0|1,0,1]=4 795 B7R0.3 C[C@H](CO)NCCF cb91bb5edb2a0c63c570d34f11071d1c [1,1,0,0,0,0|1,0,1]=4 796 B7R0.3 C[C@H](CO)NCCI 7e2db315aeaaac49480cb09083a749f2 [1,1,0,0,0,0|1,0,1]=4 797 B7R0.3 C[C@H](CO)NCCO 57e737113b903a53b0864be81471f1e6 [1,1,0,0,0,0|1,0,1]=4 798 B7R0.3 C[C@H](CO)NCCS ca2eaea9731c563c60cf01430832dca9 [1,1,0,0,0,0|1,0,1]=4 799 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [1,1,0,0,0,0|2,0,0]=4 800 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [1,1,0,0,0,0|2,0,0]=4 801 B7R0.7 C=CCN(C)CCC 4db190253ad01fc85a9136b104142548 [1,1,0,0,0,0|2,0,0]=4 802 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [1,1,0,0,0,0|2,0,0]=4 803 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [1,1,0,0,0,0|2,0,0]=4 804 B7R0.7 CC(CC#N)NC=O dfc1f8290024fbf8549fe517f54abe5f [1,1,0,0,0,0|1,0,1]=4 805 B7R0.7 CC(CCO)NC=O 892cc7a0d08c79535b8216399ec9a52d [1,1,0,0,0,0|1,0,0]=3 806 B7R0.7 CC(CCO)NCO dcf0cce30bbba94ae1bdb2661837885d [1,1,0,0,0,0|1,0,1]=4 807 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [1,1,0,0,0,0|2,0,0]=4 808 B7R0.7 CCCC(C)NC#N 6ccb4a7f9bfbd442a47f4d4e2e5f0f39 [1,1,0,0,0,0|1,0,1]=4 809 B7R0.7 CCCC(C)NC=O 3b3fdc3aff176c80def2c27de1055661 [1,1,0,0,0,0|0,0,0]=2 810 B7R0.7 CCCC(C)NCC 30687af6c4de8dad0ff98831d5157fbe [1,1,0,0,0,0|1,0,1]=4 811 B7R0.7 CCCC(C)NCF 6fe7178c87e8240823259ce8a94eea0d [1,1,0,0,0,0|1,0,1]=4 812 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [1,1,0,0,0,0|0,0,1]=3 813 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [1,1,0,0,0,0|1,0,1]=4 814 B7R0.7 CCCC(C)OCF e53aa9a0be571d844376e05ef43b0243 [1,1,0,0,0,0|1,0,1]=4 815 B7R0.7 CCCN(C)CC=O 1c62a002dac50aaed88f0fc6ab9f5e8c [1,1,0,0,0,0|1,0,0]=3 816 B7R0.7 CCCN(C)CCO 78d0d1ebbc45bccd6d086b71283c0541 [1,1,0,0,0,0|1,0,1]=4 817 B7R0.7 CCCN(C)COC 1bec3c8fb3df3a096c65e4d1b6c5e3f1 [1,1,0,0,0,0|1,0,1]=4 818 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [1,1,0,0,0,0|1,0,1]=4 819 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [1,1,0,0,0,0|1,0,1]=4 820 B7R0.7 CCC[C@H](C)NC=O d7593154c1a9fc5db070af269735e419 [1,1,0,0,0,0|0,0,0]=2 821 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [1,1,0,0,0,0|1,0,1]=4 822 B7R0.7 CCC[C@H](C)NCF bb5a2f2a6bcb2a0616cca7690ac17090 [1,1,0,0,0,0|1,0,1]=4 823 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [1,1,0,0,0,0|0,0,1]=3 824 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [1,1,0,0,0,0|1,0,1]=4 825 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [1,1,0,0,0,0|1,0,1]=4 826 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [1,1,0,0,0,0|1,0,1]=4 827 B7R0.7 CCNC(C)COC af3d09b9c16b18b44031a6b489b2fd56 [1,1,0,0,0,0|1,0,1]=4 828 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [1,1,0,0,0,0|1,0,1]=4 829 B7R0.7 CCN[C@@H](C)COC 3587673ce83b198299c531f233570bde [1,1,0,0,0,0|1,0,1]=4 830 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [1,1,0,0,0,0|1,0,1]=4 831 B7R0.7 CCN[C@H](C)COC 769259f23e0c7be858a9664721e9e588 [1,1,0,0,0,0|1,0,1]=4 832 B7R0.7 CCOC(C)COC fe243350564a7dc6ae1ae7113d5524f6 [1,1,0,0,0,0|1,0,1]=4 833 B7R0.7 CCO[C@@H](C)COC f439908527642fb0fb69029fa9f8bc89 [1,1,0,0,0,0|1,0,1]=4 834 B7R0.7 CCO[C@H](C)COC 9a86a7ea1ccd0f751a8074ffc2bb4277 [1,1,0,0,0,0|1,0,1]=4 835 B7R0.7 CN(CC=O)CCF e000d0184f9f374c5d6d2759945d9138 [1,1,0,0,0,0|2,0,0]=4 836 B7R0.7 CN(CC=O)CCO c9392a8ee79c46afd21599c8df016274 [1,1,0,0,0,0|2,0,0]=4 837 B7R0.7 COCC(C)NC=O 45a0b649e4600219d555cc1f9498bdc8 [1,1,0,0,0,0|1,0,0]=3 838 B7R0.7 COCC(C)NCO 6c5d5187b65d28bd76ca5cd109efad49 [1,1,0,0,0,0|1,0,1]=4 839 B7R0.7 COC[C@@H](C)NC=O d1500602ed7da53624fa7ed4337a50c3 [1,1,0,0,0,0|1,0,0]=3 840 B7R0.7 COC[C@@H](C)NCO 5b123b6ebd0e85051da558c3ea88e6ed [1,1,0,0,0,0|1,0,1]=4 841 B7R0.7 COC[C@H](C)NC=O 9ace0af38b8cac4dc5e5d6d9564d36a8 [1,1,0,0,0,0|1,0,0]=3 842 B7R0.7 COC[C@H](C)NCO d58653f64afc5f3d3534e35a74eeeaa8 [1,1,0,0,0,0|1,0,1]=4 843 B7R0.7 C[C@@H](CCO)NC=O eb95ec52954fcdf5dbae515a1b580040 [1,1,0,0,0,0|1,0,0]=3 844 B7R0.7 C[C@@H](CCO)NCO d1bf1253e6c406f96778567e6d5de8e7 [1,1,0,0,0,0|1,0,1]=4 845 B7R0.7 C[C@H](CCO)NC=O b74e456417922c93cc7901b1f7160ec1 [1,1,0,0,0,0|1,0,0]=3 846 B7R0.7 C[C@H](CCO)NCO ccd004333d3de23c28e090d6ff4977aa [1,1,0,0,0,0|1,0,1]=4 847 B7R0.10 C=CC(C)N(C)CC 4e19c64cea3fd4c093ea40cd82bb7bd4 [1,1,0,0,0,0|2,0,0]=4 848 B7R0.10 CC(CO)N(C)C=O 4659927dd4489ef42e67e78276d3b1b4 [1,1,0,0,0,0|2,0,0]=4 849 B7R0.10 CCC(C)N(C)C=O aaa2a77e867aed83923621e3629d674e [1,1,0,0,0,0|1,0,0]=3 850 B7R0.10 CCC(C)N(C)CO 1b36e6675b647f3c2b421b00c5b597a7 [1,1,0,0,0,0|1,0,1]=4 851 B7R0.10 CCN(C)C(C)C=O 3a064273f8f7f25930c79a89d95b0e17 [1,1,0,0,0,0|1,0,0]=3 852 B7R0.10 CCN(C)C(C)CO bebabfe649434d11c02db23f8c999491 [1,1,0,0,0,0|1,0,1]=4 853 B7R0.10 CCN(C)[C@@H](C)CO 0928581d52d4c504aa98f7d51aa86889 [1,1,0,0,0,0|1,0,1]=4 854 B7R0.10 CCN(C)[C@H](C)C=O 193bc5a546dbc7ad240f6d8ae5d9f8d3 [1,1,0,0,0,0|1,0,0]=3 855 B7R0.10 CCN(C)[C@H](C)CO 9f8b649df632bf19345f656ecd33a6ed [1,1,0,0,0,0|1,0,1]=4 856 B7R0.10 C[C@@H](CO)N(C)C=O b94b965b512745cf284fdc052a9474ae [1,1,0,0,0,0|2,0,0]=4 857 B7R0.10 C[C@H](CO)N(C)C=O c4c1d9e89c0731cbc76ea32ef421fbca [1,1,0,0,0,0|2,0,0]=4 858 B7R0.11 CCNC(C)(C)CO cfe1036a3afdbdcb353cbcf66ecedd65 [1,1,0,0,0,0|1,0,1]=4 859 B7R0.12 C=CC(CC)OCC 3384f4e6ac585bde2972dae19026fd2c [1,1,0,0,0,0|2,0,0]=4 860 B7R0.12 C=C[C@@H](CO)NCC 2b9f74d6ae3c2b74c3cb02472da25462 [1,1,0,0,0,0|2,0,0]=4 861 B7R0.12 CCCN(C=O)CC c9c4d92e42201b75307332d9c7692aa9 [1,1,0,0,0,0|1,0,0]=3 862 B7R0.12 CCCN(CC)CO 0db6153d76ded508e5655e9e69753d11 [1,1,0,0,0,0|1,0,1]=4 863 B7R0.12 CCN(C=O)CCCl 03512ce3018e8845973ab6d439faef81 [1,1,0,0,0,0|2,0,0]=4 864 B7R0.12 CCN(C=O)CCO f06d113e63228ddd0fbad99b8e842127 [1,1,0,0,0,0|2,0,0]=4 865 B7R0.12 CCNC(CC)CO 69eb8cb0bab039daf9654224be723bd4 [1,1,0,0,0,0|1,0,1]=4 866 B7R0.12 CCNC(CO)CO c3e79c4c97ee2b42d70122fc2549f86f [1,1,0,0,0,0|1,0,1]=4 867 B7R0.12 CCN[C@@H](CC)CO 58754a8a804d698e6257db6bc4cb95b3 [1,1,0,0,0,0|1,0,1]=4 868 B7R0.12 CCN[C@H](CC)CO 5b608cb220323f541c9afa99df78f847 [1,1,0,0,0,0|1,0,1]=4 869 B7R0.12 O=CN(CO)CCO 04adc48d7b0506cc852e54ed640113a1 [1,1,0,0,0,0|2,0,0]=4 870 B7R0.16 CC(=O)N(C)C(C)C 68e786e7c5c4f60e8b7c36108316ab9e [1,1,0,0,0,0|2,0,0]=4 871 B7R0.4 C#CCNCC(=O)O 343eb4150e1f97e741a1efc40a4c68ea [1,1,0,0,0,0|0,0,2]=4 872 B7R0.4 C#CCOCC(=O)O 3bcfd2fb505271f199367374d77863ed [1,1,0,0,0,0|0,0,2]=4 873 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [1,1,0,0,0,0|2,0,0]=4 874 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [1,1,0,0,0,0|2,0,0]=4 875 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [1,1,0,0,0,0|2,0,0]=4 876 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [1,1,0,0,0,0|2,0,0]=4 877 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [1,1,0,0,0,0|2,0,0]=4 878 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [1,1,0,0,0,0|2,0,0]=4 879 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [1,1,0,0,0,0|2,0,0]=4 880 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [1,1,0,0,0,0|2,0,0]=4 881 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [1,1,0,0,0,0|2,0,0]=4 882 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [1,1,0,0,0,0|2,0,0]=4 883 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [1,1,0,0,0,0|2,0,0]=4 884 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [1,1,0,0,0,0|2,0,0]=4 885 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [1,1,0,0,0,0|0,0,2]=4 886 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [1,1,0,0,0,0|0,0,2]=4 887 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [1,1,0,0,0,0|2,0,0]=4 888 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [1,1,0,0,0,0|2,0,0]=4 889 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [1,1,0,0,0,0|2,0,0]=4 890 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [1,1,0,0,0,0|2,0,0]=4 891 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [1,1,0,0,0,0|2,0,0]=4 892 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [1,1,0,0,0,0|2,0,0]=4 893 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [1,1,0,0,0,0|2,0,0]=4 894 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [1,1,0,0,0,0|2,0,0]=4 895 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [1,1,0,0,0,0|1,0,0]=3 896 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [1,1,0,0,0,0|1,0,0]=3 897 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [1,1,0,0,0,0|1,0,0]=3 898 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [1,1,0,0,0,0|0,0,0]=2 899 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [1,1,0,0,0,0|1,0,1]=4 900 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [1,1,0,0,0,0|1,0,1]=4 901 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [1,1,0,0,0,0|1,0,1]=4 902 B7R0.4 CCCNC[N+](=O)[O-] 419587d101301b41277d69884923c893 [1,1,0,0,0,0|1,0,1]=4 903 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [1,1,0,0,0,0|1,0,0]=3 904 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [1,1,0,0,0,0|1,0,0]=3 905 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [1,1,0,0,0,0|0,0,0]=2 906 B7R0.4 CCCOCC(=S)N de4cf6b87e1a0924ce6659273b2f578f [1,1,0,0,0,0|1,1,0]=4 907 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [1,1,0,0,0,0|1,0,0]=3 908 B7R0.4 CCCOC[N+](=O)[O-] 57fc1d5897b3bb3312e1a8c9c07caf8c [1,1,0,0,0,0|1,0,1]=4 909 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [1,1,0,0,0,0|1,0,0]=3 910 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [1,1,0,0,0,0|0,0,0]=2 911 B7R0.4 CCNCCC(=S)N 76a84de3aae7ce57b9732b2228d88da8 [1,1,0,0,0,0|1,1,0]=4 912 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [1,1,0,0,0,0|1,0,1]=4 913 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [1,1,0,0,0,0|2,0,0]=4 914 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [1,1,0,0,0,0|1,0,0]=3 915 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [1,1,0,0,0,0|1,0,1]=4 916 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [1,1,0,0,0,0|1,0,1]=4 917 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [1,1,0,0,0,0|1,0,0]=3 918 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [1,1,0,0,0,0|1,0,0]=3 919 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [1,1,0,0,0,0|0,0,0]=2 920 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [1,1,0,0,0,0|2,0,0]=4 921 B7R0.4 CCOCC[N+](=O)[O-] 8e5e0c25af9383a49962ecbafeaf1cdb [1,1,0,0,0,0|1,0,1]=4 922 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [1,1,0,0,0,0|2,0,0]=4 923 B7R0.4 CCOCNC(=O)N 7f110a3bce734439d6da5de9a8afdb1c [1,1,0,0,0,0|2,0,0]=4 924 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [1,1,0,0,0,0|2,0,0]=4 925 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [1,1,0,0,0,0|2,0,0]=4 926 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [1,1,0,0,0,0|2,0,0]=4 927 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [1,1,0,0,0,0|1,0,0]=3 928 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [1,1,0,0,0,0|2,0,0]=4 929 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [1,1,0,0,0,0|2,0,0]=4 930 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [1,1,0,0,0,0|1,0,0]=3 931 B7R0.4 COCOCS(=O)O 5b78f1d6000a1c6ff13d9dbfa3cb959d [1,1,0,0,0,0|2,0,0]=4 932 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [1,1,0,0,0,0|2,0,0]=4 933 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [1,1,0,0,0,0|2,0,0]=4 934 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [1,1,0,0,0,0|2,0,0]=4 935 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [1,1,0,0,0,0|1,0,0]=3 936 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [1,1,0,0,0,0|2,0,0]=4 937 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [1,1,0,0,0,0|2,0,0]=4 938 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [1,1,0,0,0,0|1,0,0]=3 939 B7R0.4 CSCOCS(=O)O 10c14278cf265246d24f329a9e0b0189 [1,1,0,0,0,0|2,0,0]=4 940 B7R0.4 N#CCNCC(=O)O 809e9a9d58d178eb22e9b3ea8c029b46 [1,1,0,0,0,0|1,0,1]=4 941 B7R0.4 N#CCOCC(=O)O f440efea3522112d8965a680edd84309 [1,1,0,0,0,0|1,0,1]=4 942 B7R0.4 N#CNCCC(=O)O aa8f36504cb81f27d3e027833d30b74a [1,1,0,0,0,0|1,0,1]=4 943 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [1,1,0,0,0,0|2,0,0]=4 944 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [1,1,0,0,0,0|2,0,0]=4 945 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [1,1,0,0,0,0|2,0,0]=4 946 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [1,1,0,0,0,0|2,0,0]=4 947 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [1,1,0,0,0,0|2,0,0]=4 948 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [1,1,0,0,0,0|2,0,0]=4 949 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [1,1,0,0,0,0|2,0,0]=4 950 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [1,1,0,0,0,0|2,0,0]=4 951 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [1,1,0,0,0,0|2,0,0]=4 952 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [1,1,0,0,0,0|2,0,0]=4 953 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [1,1,0,0,0,0|1,0,0]=3 954 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [1,1,0,0,0,0|1,0,0]=3 955 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [1,1,0,0,0,0|1,0,0]=3 956 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [1,1,0,0,0,0|1,0,0]=3 957 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [1,1,0,0,0,0|1,0,0]=3 958 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [1,1,0,0,0,0|1,0,0]=3 959 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [1,1,0,0,0,0|1,0,0]=3 960 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [1,1,0,0,0,0|1,0,0]=3 961 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [1,1,0,0,0,0|1,0,0]=3 962 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [1,1,0,0,0,0|1,0,0]=3 963 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [1,1,0,0,0,0|1,0,1]=4 964 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [1,1,0,0,0,0|1,0,1]=4 965 B7R0.4 O=S(O)CCNCF 5944b9373ff00d58b6529129c165d8a2 [1,1,0,0,0,0|2,0,0]=4 966 B7R0.4 O=S(O)CCNCO fb9e10441f05965bf0dcfe0aab296669 [1,1,0,0,0,0|2,0,0]=4 967 B7R0.4 O=S(O)COCCF c36497384bf0c1557cb58aa4b3a78d7a [1,1,0,0,0,0|2,0,0]=4 968 B7R0.4 O=S(O)COCCS 210a74b93542982df908b08eade068db [1,1,0,0,0,0|2,0,0]=4 969 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [1,1,0,0,0,0|2,0,0]=4 970 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [1,1,0,0,0,0|2,0,0]=4 971 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [1,1,0,0,0,0|2,0,0]=4 972 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [1,1,0,0,0,0|2,0,0]=4 973 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [1,1,0,0,0,0|2,0,0]=4 974 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [1,1,0,0,0,0|2,0,0]=4 975 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [1,1,0,0,0,0|2,0,0]=4 976 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [1,1,0,0,0,0|1,0,0]=3 977 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [1,1,0,0,0,0|2,0,0]=4 978 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [1,1,0,0,0,0|1,0,0]=3 979 B7R0.6 CC(C)OCS(=O)O dcec0ddacfe27b8d3be4af6ba949ffc8 [1,1,0,0,0,0|2,0,0]=4 980 B7R0.8 CCNCS(=O)(=O)O bbcfc5d6d557b34dea0908a35a8ee7e3 [1,1,0,0,0,0|2,0,0]=4 981 B9R0.4 C#CCCN(C)CC(=O)O c342fc1eae056e6a4f78801859bc9f02 [0,1,0,0,0,1|1,0,1]=4 982 B9R0.4 C#CCNC(C)CC(=O)O e88c4b46a26cab7526b69bf619ffd97e [0,1,0,0,0,1|0,0,2]=4 983 B9R0.4 C#CCN[C@@H](C)CC(=O)O e4cbba3f0406b208247d46092df228cc [0,1,0,0,0,1|0,0,2]=4 984 B9R0.4 C#CCN[C@H](C)CC(=O)O f96ee44735fe8a0a7543e042b18f148e [0,1,0,0,0,1|0,0,2]=4 985 B9R0.4 C#CCOC(C)CC(=O)O d03427f80a956cc816f509672bb000dc [0,1,0,0,0,1|0,0,2]=4 986 B9R0.4 C#CCO[C@@H](C)CC(=O)O 44b33f5be83a64ff06d3732c99a80179 [0,1,0,0,0,1|0,0,2]=4 987 B9R0.4 C#CCO[C@H](C)CC(=O)O 469413630488a2a850e98ad978ab272d [0,1,0,0,0,1|0,0,2]=4 988 B9R0.4 C/C=C/CN(C)CC(=O)O 23ac9de1d2dde35b4e407697595e4c31 [0,1,0,0,0,1|1,0,1]=4 989 B9R0.4 C/C=C\CN(C)CC(=O)O f33e8e9cccae63a33fb2ea55fc4083d8 [0,1,0,0,0,1|1,0,1]=4 990 B9R0.4 C=CCCN(C)CC(=O)O c45dddea24cad7bcd2fe878b0aa2a882 [0,1,0,0,0,1|1,0,1]=4 991 B9R0.4 C=CCNC(C)CC(=O)O 6ae10b64077133545f3d91156e398a8c [0,1,0,0,0,1|0,0,2]=4 992 B9R0.4 C=CCN[C@@H](C)CC(=O)O e24fbde4dfaa347b67a58faa90e875fd [0,1,0,0,0,1|0,0,2]=4 993 B9R0.4 C=CCN[C@H](C)CC(=O)O 68d1d33710689e20c468e0a1bf3fde2f [0,1,0,0,0,1|0,0,2]=4 994 B9R0.4 C=CCOC(C)CC(=O)O 6aa6c0b2ae081456bfb4b15bc98ff0b4 [0,1,0,0,0,1|0,0,2]=4 995 B9R0.4 C=CCO[C@@H](C)CC(=O)O 2f3de0688fccb90592132bae9389e4e8 [0,1,0,0,0,1|0,0,2]=4 996 B9R0.4 C=CCO[C@H](C)CC(=O)O 82558ab3b4b44d284dc8a385450a58eb [0,1,0,0,0,1|0,0,2]=4 997 B9R0.4 CC(=O)NC(C)CCCO a409476001ef0aff88161eb86bbe5db4 [0,1,0,0,0,1|1,0,0]=3 998 B9R0.4 CC(=O)NC(C)COCF 43d67978ba504f4a6c3b09ca55c43049 [0,1,0,0,0,1|2,0,0]=4 999 B9R0.4 CC(=O)N[C@H](C)CCCO 9a046063324b070dedfa3d3739745edc [0,1,0,0,0,1|1,0,0]=3 1000 B9R0.4 CC(=O)N[C@H](C)COCF 268619c282af458800db37ffa5982322 [0,1,0,0,0,1|2,0,0]=4 1001 B9R0.4 CC(=O)OC(C)NCCBr 3f1c204a59be950e15bd4feaa3675001 [0,1,0,0,0,1|2,0,0]=4 1002 B9R0.4 CC(=O)OC(C)NCCF 228736a205797ea15b61fd8e68b87e67 [0,1,0,0,0,1|2,0,0]=4 1003 B9R0.4 CC(=O)OC(C)NCCI c286c8d763aee4f3868d0f17a0d94c3b [0,1,0,0,0,1|2,0,0]=4 1004 B9R0.4 CC(=O)OC(C)NCCO ac5b0ecf8a083e3beb0c0204a7207851 [0,1,0,0,0,1|2,0,0]=4 1005 B9R0.4 CC(=O)OC(C)NCCS 7d5c0fa70919a52ddfecf5135d6ca3d7 [0,1,0,0,0,1|2,0,0]=4 1006 B9R0.4 CC(=O)OC(C)OCCF da7affa6b14ff4a99be2b6049cc00c20 [0,1,0,0,0,1|2,0,0]=4 1007 B9R0.4 CC(=O)OC(C)OCCS 4f606964d17daf8060dfd0795b3ba543 [0,1,0,0,0,1|2,0,0]=4 1008 B9R0.4 CC(CC(=O)N)OCCF 33c76992ff5934781e3515f9fc43f0ec [0,1,0,0,0,1|2,0,0]=4 1009 B9R0.4 CC(CC(=O)N)OCCS b93b22eba38e053f131c509a795ffec2 [0,1,0,0,0,1|2,0,0]=4 1010 B9R0.4 CC(CC(=O)O)NCC#N b141632e27612f0c1515a54a70fedc87 [0,1,0,0,0,1|1,0,1]=4 1011 B9R0.4 CC(CC(=O)O)NCC=O 0b9db54dda8ed6cd9b17284ce8476910 [0,1,0,0,0,1|1,0,1]=4 1012 B9R0.4 CC(CC(=O)O)NCCBr e7e4b6e2fc1ea75d46b4b42316397fca [0,1,0,0,0,1|1,0,0]=3 1013 B9R0.4 CC(CC(=O)O)NCCF d1685d2be3fcc9d24c11d15d0d1d1325 [0,1,0,0,0,1|1,0,0]=3 1014 B9R0.4 CC(CC(=O)O)NCCI 94de66baab7b311efb40a9409058838e [0,1,0,0,0,1|1,0,0]=3 1015 B9R0.4 CC(CC(=O)O)NCCO 363ffb708fc7cb9d3ee89320c343223e [0,1,0,0,0,1|1,0,0]=3 1016 B9R0.4 CC(CC(=O)O)NCCS cdbc52c158398597a14b9e2a91a129d1 [0,1,0,0,0,1|1,0,0]=3 1017 B9R0.4 CC(CC(=O)O)OCC#N 21562a890821fc012e09d5d22bab806a [0,1,0,0,0,1|1,0,1]=4 1018 B9R0.4 CC(CC(=O)O)OCC=O 9fd72e4383abedaf34b13def7c8a057b [0,1,0,0,0,1|1,0,1]=4 1019 B9R0.4 CC(CC(=O)O)OCCF 9f416da46c9c293ab23e60b18d16f471 [0,1,0,0,0,1|1,0,0]=3 1020 B9R0.4 CC(CC(=O)O)OCCS 3dd9e26375cdcf4681c093bf5c86e3fc [0,1,0,0,0,1|1,0,0]=3 1021 B9R0.4 CCCCC(C)NC(=O)C 8c6d1ed0c215b53ce5178d84ca54f179 [0,1,0,0,0,1|1,0,0]=3 1022 B9R0.4 CCCCN(C)CC(=O)N 11a1371995cbb23558bde2849897cd1f [0,1,0,0,0,1|2,0,0]=4 1023 B9R0.4 CCCCN(C)CC(=O)O 2ab0d2e55fe8aec010bf103a963bc69a [0,1,0,0,0,1|1,0,0]=3 1024 B9R0.4 CCCC[C@@H](C)NC(=O)C 438042d33778c53023e503021e96ec24 [0,1,0,0,0,1|1,0,0]=3 1025 B9R0.4 CCCNC(C)CC(=O)O 2d5bf9ae8b9d33e8e5f89637131f543d [0,1,0,0,0,1|0,0,0]=2 1026 B9R0.4 CCCNC(C)CC(C)O 98aedfcb0c4404029eedc1338854ce8c [0,1,0,0,0,1|1,0,1]=4 1027 B9R0.4 CCCNC(C)OC(=O)C 284b4f4f851898134a79c6bd0e68afcb [0,1,0,0,0,1|1,0,0]=3 1028 B9R0.4 CCCN[C@@H](C)CC(=O)O 7dd12827a70b6d0f3eb1d105dd87e0f1 [0,1,0,0,0,1|0,0,0]=2 1029 B9R0.4 CCCN[C@H](C)CC(=O)O 49558fe427823d5af7fc8494312831dd [0,1,0,0,0,1|0,0,0]=2 1030 B9R0.4 CCCOC(C)CC(=O)N 7cf4be07e7dc937d6ecb8463967854c0 [0,1,0,0,0,1|1,0,0]=3 1031 B9R0.4 CCCOC(C)CC(=O)O 464f5b57c4d27de1c96f770591eff582 [0,1,0,0,0,1|0,0,0]=2 1032 B9R0.4 CCCOC(C)C[N+](=O)[O-] ad8354c1f5266ca94ef2b943016280b5 [0,1,0,0,0,1|1,0,1]=4 1033 B9R0.4 CCCOC(C)OC(=O)C 6c8b7c881ac77e2983b8764698a63829 [0,1,0,0,0,1|1,0,0]=3 1034 B9R0.4 CCCO[C@@H](C)CC(=O)O 672c62b3f5b285724de30ca7be3b4175 [0,1,0,0,0,1|0,0,0]=2 1035 B9R0.4 CCCO[C@H](C)CC(=O)O 78d34951f815792f2a0561852a75d7ea [0,1,0,0,0,1|0,0,0]=2 1036 B9R0.4 CCNCC(O)CC(=O)O 02bb2a3b8bce33db43c21894720f909a [0,1,0,0,0,1|1,0,0]=3 1037 B9R0.4 CCNC[C@@H](O)CC(=O)O 54b4ddf2085c3305103a3bf1339d420e [0,1,0,0,0,1|1,0,0]=3 1038 B9R0.4 CCNC[C@H](O)CC(=O)O 4584b045ec61df30c14bf052bebdc4b7 [0,1,0,0,0,1|1,0,0]=3 1039 B9R0.4 CCOCC(C)NC(=O)C 891e676bd6e096c9e78b579a4d42a446 [0,1,0,0,0,1|1,0,0]=3 1040 B9R0.4 CCOCN(C)CC(=O)N 3f2fa03280875450069a7ca45bb5a142 [0,1,0,0,0,1|2,0,0]=4 1041 B9R0.4 CCOCN(C)CC(=O)O 4256c877b9befd6c7672b731e0ef19d3 [0,1,0,0,0,1|1,0,0]=3 1042 B9R0.4 CCOC[C@@H](C)NC(=O)C 82a9a914977322c59ad71ebab295e094 [0,1,0,0,0,1|1,0,0]=3 1043 B9R0.4 CN(CCC#N)CC(=O)O b6189c60dab8da7d0e37557ba3a3ab51 [0,1,0,0,0,1|1,0,1]=4 1044 B9R0.4 CN(CCC=O)CC(=O)O 59fa05e094f7be06a59bae3f1cb68898 [0,1,0,0,0,1|1,0,1]=4 1045 B9R0.4 CN(CCCF)CC(=O)N 1f272e5a874222b3e12c264d3c0393df [0,1,0,0,0,1|2,0,0]=4 1046 B9R0.4 CN(CCCF)CC(=O)O daae18585a4edad046d8e7cf5857ea62 [0,1,0,0,0,1|1,0,0]=3 1047 B9R0.4 CN(CCCO)CC(=O)N 2cf8473631d181ba7fe335e6287fbf91 [0,1,0,0,0,1|2,0,0]=4 1048 B9R0.4 CN(CCCO)CC(=O)O 92663a30e18fe103a2042493da2adef9 [0,1,0,0,0,1|1,0,0]=3 1049 B9R0.4 CN(CCCS)CC(=O)N de9d018ded98578e94220b2608394c9d [0,1,0,0,0,1|2,0,0]=4 1050 B9R0.4 CN(CCCS)CC(=O)O e6cefed2a7241559ae7d60ae4a2c5333 [0,1,0,0,0,1|1,0,0]=3 1051 B9R0.4 CN(CCON)CC(=O)O 9d7e8e288045c2c2df5e20efd431910a [0,1,0,0,0,1|2,0,0]=4 1052 B9R0.4 COCCN(C)CC(=O)N 448db3e3b58a5685e8588e13dc93be67 [0,1,0,0,0,1|2,0,0]=4 1053 B9R0.4 COCCN(C)CC(=O)O 3ec55bcb2ffdbac5ba2cd2153b901598 [0,1,0,0,0,1|1,0,0]=3 1054 B9R0.4 COCNC(C)CC(=O)O bdd3c4ac12ec667d560eb5ade66eadf9 [0,1,0,0,0,1|1,0,0]=3 1055 B9R0.4 COCN[C@@H](C)CC(=O)O 4b81306ee6db218e1b372a75a0b0c2f0 [0,1,0,0,0,1|1,0,0]=3 1056 B9R0.4 COCN[C@H](C)CC(=O)O 818aa4572c41952106f807fa5cf3ab38 [0,1,0,0,0,1|1,0,0]=3 1057 B9R0.4 COCOC(C)CC(=O)O e4795a30f6180746c828b10734be8c74 [0,1,0,0,0,1|1,0,0]=3 1058 B9R0.4 COCOC(C)OC(=O)C c73ebf630a8c2a58943bc42724d4d8d9 [0,1,0,0,0,1|2,0,0]=4 1059 B9R0.4 COCO[C@@H](C)CC(=O)O 49833e6f04b5f2fdf75e458c967a7948 [0,1,0,0,0,1|1,0,0]=3 1060 B9R0.4 COCO[C@H](C)CC(=O)O 765396246824776e46490c64897c4638 [0,1,0,0,0,1|1,0,0]=3 1061 B9R0.4 CSCCN(C)CC(=O)N 8e2d1a7102cd8411ae44c2d7e50835dd [0,1,0,0,0,1|2,0,0]=4 1062 B9R0.4 CSCCN(C)CC(=O)O 0f0cc55bdca109b4ba7871c4d09278eb [0,1,0,0,0,1|1,0,0]=3 1063 B9R0.4 CSCNC(C)CC(=O)O 4241a9c2ff111280db351016191e8370 [0,1,0,0,0,1|1,0,0]=3 1064 B9R0.4 CSCN[C@@H](C)CC(=O)O 726b4fd612fce34bc66b4c1104c65f69 [0,1,0,0,0,1|1,0,0]=3 1065 B9R0.4 CSCN[C@H](C)CC(=O)O 93bb6ece58999a9701d836c8d56af5da [0,1,0,0,0,1|1,0,0]=3 1066 B9R0.4 CSCOC(C)CC(=O)N af4c2afd288a15ee14238dc19e02472e [0,1,0,0,0,1|2,0,0]=4 1067 B9R0.4 CSCOC(C)CC(=O)O 8960316d76a52d36cff0632f6a8a6a82 [0,1,0,0,0,1|1,0,0]=3 1068 B9R0.4 CSCO[C@@H](C)CC(=O)O 950648eb7385f49e6308659ead0c2a76 [0,1,0,0,0,1|1,0,0]=3 1069 B9R0.4 CSCO[C@H](C)CC(=O)O e5cb5d5e67dbe01167902ba3b365c14b [0,1,0,0,0,1|1,0,0]=3 1070 B9R0.4 C[C@@H](CC(=O)O)NCC#N 8535603aa506265d93611dda2c62f654 [0,1,0,0,0,1|1,0,1]=4 1071 B9R0.4 C[C@@H](CC(=O)O)NCC=O 61f815c552e042769d4d4f90edfce438 [0,1,0,0,0,1|1,0,1]=4 1072 B9R0.4 C[C@@H](CC(=O)O)NCCF 618a0c24e5c55843ce8edb4caec723f0 [0,1,0,0,0,1|1,0,0]=3 1073 B9R0.4 C[C@@H](CC(=O)O)NCCO f1302a077d62282b824321ee35a8059e [0,1,0,0,0,1|1,0,0]=3 1074 B9R0.4 C[C@@H](CC(=O)O)NCCS 5d7d40247ddb99f3d68b90786e69ddbb [0,1,0,0,0,1|1,0,0]=3 1075 B9R0.4 C[C@@H](CC(=O)O)OCC#N a1560da538dacec812ad2b648ec86ec5 [0,1,0,0,0,1|1,0,1]=4 1076 B9R0.4 C[C@@H](CC(=O)O)OCC=O afad9ddae2004cc03830c79908d592c0 [0,1,0,0,0,1|1,0,1]=4 1077 B9R0.4 C[C@@H](CC(=O)O)OCCF 5c0f2e4119dfa55ab335c16ab0367197 [0,1,0,0,0,1|1,0,0]=3 1078 B9R0.4 C[C@@H](CC(=O)O)OCCS 95108e5655092fc4113468a510808654 [0,1,0,0,0,1|1,0,0]=3 1079 B9R0.4 C[C@H](CC(=O)O)NCC#N 2c1f0cf9b9f687284995abb8dc7844fc [0,1,0,0,0,1|1,0,1]=4 1080 B9R0.4 C[C@H](CC(=O)O)NCC=O 8ad60e5c3f750e74022ec085d11788c1 [0,1,0,0,0,1|1,0,1]=4 1081 B9R0.4 C[C@H](CC(=O)O)NCCF 20751cb9b29a347f4c1a5217e86a8518 [0,1,0,0,0,1|1,0,0]=3 1082 B9R0.4 C[C@H](CC(=O)O)NCCO 5a022e1cde4048f3a447d9f460edd75d [0,1,0,0,0,1|1,0,0]=3 1083 B9R0.4 C[C@H](CC(=O)O)NCCS 0e4f4fa60a5012cf1fca3e5091c18f41 [0,1,0,0,0,1|1,0,0]=3 1084 B9R0.4 C[C@H](CC(=O)O)OCC#N cef74b7d39d1261d6940bb08c5c2b71a [0,1,0,0,0,1|1,0,1]=4 1085 B9R0.4 C[C@H](CC(=O)O)OCC=O 5898615cb0e02bab189a5a3da6d20aec [0,1,0,0,0,1|1,0,1]=4 1086 B9R0.4 C[C@H](CC(=O)O)OCCF f5b48f7a21ef3e4b18c68d6fc0bb22c6 [0,1,0,0,0,1|1,0,0]=3 1087 B9R0.4 C[C@H](CC(=O)O)OCCS a1e94870d79cddf896a1bd4028514c04 [0,1,0,0,0,1|1,0,0]=3 1088 B9R0.4 O=C(O)CC(O)CNCF 9de17aeb8156f9b30eae4a928d55d408 [0,1,0,0,0,1|2,0,0]=4 1089 B9R0.4 O=C(O)CC(O)CNCO d51ade6d66756563bbc84453fda67d62 [0,1,0,0,0,1|2,0,0]=4 1090 B9R0.4 O=C(O)C[C@@H](O)CNCF e06fd31c8d2997a1f63214946e26a10a [0,1,0,0,0,1|2,0,0]=4 1091 B9R0.4 O=C(O)C[C@@H](O)CNCO aa032d8b3fc8a184994c5d27aeeb5075 [0,1,0,0,0,1|2,0,0]=4 1092 B9R0.4 O=C(O)C[C@H](O)CNCF 8c3349543124a531516a5ca6a55a4ab6 [0,1,0,0,0,1|2,0,0]=4 1093 B9R0.4 O=C(O)C[C@H](O)CNCO 19fadec569eb61b632db1521edc1b9f2 [0,1,0,0,0,1|2,0,0]=4 1094 B9R0.6 CC(=O)N(C)C(C)CCO 4f10b5938b38e7850ab030a78481e11d [0,1,0,0,0,1|2,0,0]=4 1095 B9R0.6 CC(=O)N(C)[C@@H](C)CCO 367a67f3edf3ca0be8496dbb55d3d759 [0,1,0,0,0,1|2,0,0]=4 1096 B9R0.6 CC(C(=O)O)N(C)CCF e44cd4cbe19f77a1288c72785e09d4ca [0,1,0,0,0,1|2,0,0]=4 1097 B9R0.6 CC(C(=O)O)N(C)CCO 24a541fd10360206d0222569d1abf7e3 [0,1,0,0,0,1|2,0,0]=4 1098 B9R0.6 CC(C(=O)O)N(C)CCS 59424363d2350ed7fde780fb4de14e27 [0,1,0,0,0,1|2,0,0]=4 1099 B9R0.6 CC(OCF)C(C)C(=O)O 65d47df94c61384b516882aa40a31329 [0,1,0,0,0,1|2,0,0]=4 1100 B9R0.6 CCCN(C)C(=O)C(=O)C b1f86c94d2bf9784f5bc56d2f713d016 [0,1,0,0,0,1|2,0,0]=4 1101 B9R0.6 CCCN(C)C(=O)C(=O)N b5ca33672af963ef01efeb0a7e1f9575 [0,1,0,0,0,1|2,0,0]=4 1102 B9R0.6 CCCN(C)C(C)C(=O)C 0ed03c9188e77740bffc26f0c2820448 [0,1,0,0,0,1|2,0,0]=4 1103 B9R0.6 CCCN(C)C(C)C(=O)N 48f19b616238debf7809f80535f95c35 [0,1,0,0,0,1|2,0,0]=4 1104 B9R0.6 CCCN(C)C(C)C(=O)O f70fec3653f8caa91c122702576f4a6d [0,1,0,0,0,1|1,0,0]=3 1105 B9R0.6 CCCN(C)C(F)C(=O)N aa6c72104d8d518f3861ce06834c9755 [0,1,0,0,0,1|2,0,0]=4 1106 B9R0.6 CCCN(C)[C@@H](C)C(=O)N 17553a457ad1447714697d601bac57ee [0,1,0,0,0,1|2,0,0]=4 1107 B9R0.6 CCCN(C)[C@@H](C)C(=O)O 33f2c0d3908618aac995bd4430161391 [0,1,0,0,0,1|1,0,0]=3 1108 B9R0.6 CCCN(C)[C@H](C)C(=O)N 77eba5d5b60bad6e1f7fa42ad8b17a9f [0,1,0,0,0,1|2,0,0]=4 1109 B9R0.6 CCCN(C)[C@H](C)C(=O)O 5c8b184c0ab62c90ff99df884739207b [0,1,0,0,0,1|1,0,0]=3 1110 B9R0.6 CCOC(C)C(C)C(=O)O 0340fa6b71e090f1b398080bd25b7143 [0,1,0,0,0,1|1,0,0]=3 1111 B9R0.6 COCN(C)C(C)C(=O)O 58493b6e50645657ba85e8c482465391 [0,1,0,0,0,1|2,0,0]=4 1112 B9R0.6 COCN(C)[C@@H](C)C(=O)O 73a054d8912c72cb95dce991aab29537 [0,1,0,0,0,1|2,0,0]=4 1113 B9R0.6 COCN(C)[C@H](C)C(=O)O f51663443e14d28b46b54ec9d30f1173 [0,1,0,0,0,1|2,0,0]=4 1114 B9R0.6 CSCN(C)C(C)C(=O)O 614a73aead9c5ac8d865975d6529b701 [0,1,0,0,0,1|2,0,0]=4 1115 B9R0.6 CSCN(C)[C@@H](C)C(=O)O b9e680512af92360df7a1d0bb832e1bf [0,1,0,0,0,1|2,0,0]=4 1116 B9R0.6 CSCN(C)[C@H](C)C(=O)O 97ca591a395fb45fb0d3c825d20c81ac [0,1,0,0,0,1|2,0,0]=4 1117 B9R0.6 C[C@@H](C(=O)O)N(C)CCF b7bd913ce83947407cb082115140a640 [0,1,0,0,0,1|2,0,0]=4 1118 B9R0.6 C[C@@H](C(=O)O)N(C)CCO 321cb42b3f4d5036ff661e1050f70812 [0,1,0,0,0,1|2,0,0]=4 1119 B9R0.6 C[C@@H](C(=O)O)N(C)CCS 4a5a8539b9d5e852a5c8fd15b8863ea4 [0,1,0,0,0,1|2,0,0]=4 1120 B9R0.6 C[C@H](C(=O)O)N(C)CCF ef3ec66328511d59c447568526ce02a1 [0,1,0,0,0,1|2,0,0]=4 1121 B9R0.6 C[C@H](C(=O)O)N(C)CCO 65459b20ae0e22507258b13b8a6201b1 [0,1,0,0,0,1|2,0,0]=4 1122 B9R0.6 C[C@H](C(=O)O)N(C)CCS 7304b6ec7cb9add7c3c1faf010cc60e8 [0,1,0,0,0,1|2,0,0]=4 1123 B9R0.14 CC(=O)NC(CO)CCO 2ca85a82cbe9cc591bc306e37053f306 [0,1,0,0,0,1|2,0,0]=4 1124 B9R0.14 CC(=O)N[C@@H](CO)CCO 120a9546a4368a319df273961922dccd [0,1,0,0,0,1|2,0,0]=4 1125 B9R0.14 CCC(CC(=O)O)NCF c8416d3387249110d906445dfd47021b [0,1,0,0,0,1|2,0,0]=4 1126 B9R0.14 CCC(CC(=O)O)NCO 854a3f707e850876fb09e8e934a0addc [0,1,0,0,0,1|2,0,0]=4 1127 B9R0.14 CCC(CC(=O)O)OCF 468103e807211f2b09b87714cb52c75b [0,1,0,0,0,1|2,0,0]=4 1128 B9R0.14 CCC(COC)NC(=O)C 33391342a5047426c06babf996f3c088 [0,1,0,0,0,1|2,0,0]=4 1129 B9R0.14 CCCC(CO)NC(=O)C f3bf17abc83f73293b80dc3dfcb282f9 [0,1,0,0,0,1|1,0,0]=3 1130 B9R0.14 CCCN(CC)CC(=O)N 9bf9e40bad95314a8a84e74e0471e384 [0,1,0,0,0,1|2,0,0]=4 1131 B9R0.14 CCCN(CC)CC(=O)O 3343166bff6a93f1a85ce8253803b19e [0,1,0,0,0,1|1,0,0]=3 1132 B9R0.14 CCCN(CF)CC(=O)O 21355191fdc7ce92b7c643dead498d77 [0,1,0,0,0,1|1,0,0]=3 1133 B9R0.14 CCCN(CO)CC(=O)O a14f517247eea95393f8f124f075bdf9 [0,1,0,0,0,1|1,0,0]=3 1134 B9R0.14 CCC[C@@H](CO)NC(=O)C 1f7828ff873e7c1f12c0daf2d17463c6 [0,1,0,0,0,1|1,0,0]=3 1135 B9R0.14 CCC[C@H](CO)NC(=O)C da4d526e59be455b3e6f6ae6f972462b [0,1,0,0,0,1|1,0,0]=3 1136 B9R0.14 CCN(CCCl)CC(=O)O 403f715f5c6fe36d21bf6c5696a15127 [0,1,0,0,0,1|2,0,0]=4 1137 B9R0.14 CCN(CCF)CC(=O)O 9363597ee4b976e54757cc5583545bd2 [0,1,0,0,0,1|2,0,0]=4 1138 B9R0.14 CCN(CCO)CC(=O)O a910f1ae38fa7155c7b0579d5026162e [0,1,0,0,0,1|2,0,0]=4 1139 B9R0.14 CCN(CCS)CC(=O)O 6ec05f62d2e444c0ffbe9eee263c8a2c [0,1,0,0,0,1|2,0,0]=4 1140 B9R0.14 CCN(COC)CC(=O)O 396b8dfa8e235ba68ab33cc02ba85b2f [0,1,0,0,0,1|2,0,0]=4 1141 B9R0.14 CCN(CSC)CC(=O)O b9cab41d30c096602678e37256675821 [0,1,0,0,0,1|2,0,0]=4 1142 B9R0.14 CCNC(CC)CC(=O)O 46b3094fad7cebceb8943df84913f37e [0,1,0,0,0,1|1,0,0]=3 1143 B9R0.14 CCNC(CO)CC(=O)O de42f1ec16e1fb0c1f9931b1f91f5c75 [0,1,0,0,0,1|1,0,0]=3 1144 B9R0.14 CCN[C@@H](CC)CC(=O)O 21df25326eabd4481a004736f4916afa [0,1,0,0,0,1|1,0,0]=3 1145 B9R0.14 CCN[C@@H](CO)CC(=O)O 4c04f88414ade284e774f0dd3cf1d8d4 [0,1,0,0,0,1|1,0,0]=3 1146 B9R0.14 CCN[C@H](CC)CC(=O)O a15a38745d4cdc3a3747943041323451 [0,1,0,0,0,1|1,0,0]=3 1147 B9R0.14 CCN[C@H](CO)CC(=O)O a308a18a97c9f53f7fd9fcb31e04fbd8 [0,1,0,0,0,1|1,0,0]=3 1148 B9R0.14 CCOC(CC)CC(=O)O 067fe73a7b822a47a7ba0f3d160fbef0 [0,1,0,0,0,1|1,0,0]=3 1149 B9R0.14 CCO[C@@H](CC)CC(=O)O 33e42c57d3d148d94f92e79e109828f9 [0,1,0,0,0,1|1,0,0]=3 1150 B9R0.14 CCO[C@H](CC)CC(=O)O 455a3fd4e9034df148e3bfd48e87cfe6 [0,1,0,0,0,1|1,0,0]=3 1151 B9R0.14 CC[C@@H](CC(=O)O)NCF 2b6e17b5c5543b7aef94a495b74ba341 [0,1,0,0,0,1|2,0,0]=4 1152 B9R0.14 CC[C@@H](CC(=O)O)NCO 8aae4f0e6ae84c7880313232076671d3 [0,1,0,0,0,1|2,0,0]=4 1153 B9R0.14 CC[C@@H](CC(=O)O)OCF a3bfff8ada89b4fc30e51ffe3516e980 [0,1,0,0,0,1|2,0,0]=4 1154 B9R0.14 CC[C@H](CC(=O)O)NCF 4e32572c5ac7213e41a4a7032c96c0a8 [0,1,0,0,0,1|2,0,0]=4 1155 B9R0.14 CC[C@H](CC(=O)O)NCO fcd4074b59e4e3418d62793abb6ab9e1 [0,1,0,0,0,1|2,0,0]=4 1156 B9R0.14 CC[C@H](CC(=O)O)OCF 6ffc009862a12455bfd233e2a3930c6c [0,1,0,0,0,1|2,0,0]=4 1157 B9R0.14 COCC(CO)NC(=O)C 4af97eace3aa2ab3670eea26459a3b10 [0,1,0,0,0,1|2,0,0]=4 1158 B9R0.14 CSCC(CO)NC(=O)C 5371a65779c19ffcb4bdce7024de7c98 [0,1,0,0,0,1|2,0,0]=4 1159 B9R0.14 O=C(O)CC(CO)NCF d868a67ad17b2ba73c7196121d8595d2 [0,1,0,0,0,1|2,0,0]=4 1160 B9R0.14 O=C(O)CC(CO)NCO 2421ad8190ddf6be09dd84a049df16b7 [0,1,0,0,0,1|2,0,0]=4 1161 B9R0.14 O=C(O)CN(CF)CCO baf48b2902b74d482cb2bc2e8eafd3f9 [0,1,0,0,0,1|2,0,0]=4 1162 B9R0.14 O=C(O)CN(CO)CCO ff99656facc30a5de7e795faadbd43ba [0,1,0,0,0,1|2,0,0]=4 1163 B9R0.14 O=C(O)C[C@@H](CO)NCF 3ead710aa9b1f38be25e9a5df8bfb86a [0,1,0,0,0,1|2,0,0]=4 1164 B9R0.14 O=C(O)C[C@@H](CO)NCO 85d31f6650b2aea90a9f2b7d501c474f [0,1,0,0,0,1|2,0,0]=4 1165 B9R0.14 O=C(O)C[C@H](CO)NCF 67bbe1bf3929fcdaf15089f77de15dd0 [0,1,0,0,0,1|2,0,0]=4 1166 B9R0.14 O=C(O)C[C@H](CO)NCO c8916738da5cc0d97bcb967090995c68 [0,1,0,0,0,1|2,0,0]=4 1167 B9R0.23 CC(CC(=O)O)N(C)CF 86c04df1cbc3118a36f6456c0382068b [0,1,0,0,0,1|2,0,0]=4 1168 B9R0.23 CC(CC(=O)O)N(C)CO c6b41a1684495ec12e16617ae033a720 [0,1,0,0,0,1|2,0,0]=4 1169 B9R0.23 CC(CO)N(C)CC(=O)O 9e070eef5f318fe46c235cf3ef744af9 [0,1,0,0,0,1|2,0,0]=4 1170 B9R0.23 CCC(C)C(C)NC(=O)C c6415ea83b7186fa422502fb21dba14b [0,1,0,0,0,1|1,0,0]=3 1171 B9R0.23 CCC(C)N(C)CC(=O)N bde7733eb8ed4c41132bbdb1311c2abf [0,1,0,0,0,1|2,0,0]=4 1172 B9R0.23 CCC(C)N(C)CC(=O)O 75aef3e777568a148fc6457fb567c3e8 [0,1,0,0,0,1|1,0,0]=3 1173 B9R0.23 CCN(C)C(C)CC(=O)O abeb707970b255b95a0917af44198a47 [0,1,0,0,0,1|1,0,0]=3 1174 B9R0.23 C[C@@H](CO)N(C)CC(=O)O 28f9fcefb5baf6112312a5544f0c6757 [0,1,0,0,0,1|2,0,0]=4 1175 B9R0.23 C[C@H](CO)N(C)CC(=O)O 506d89a3b4907e205d467d9fb789b7c5 [0,1,0,0,0,1|2,0,0]=4 1176 B9R0.34 C#CC(=O)NC(C)CCC 9ef6b2a06bd3e21b68b6e6b9a4d6e65c [0,1,0,0,0,1|1,0,0]=3 1177 B9R0.34 C#CC(=O)NC(C)CCO 5fb27ea3eb214df2cc66bcd5018de573 [0,1,0,0,0,1|2,0,0]=4 1178 B9R0.34 C#CC(=O)NC(C)COC 661013f0345457a8b039663bd38d9022 [0,1,0,0,0,1|2,0,0]=4 1179 B9R0.34 C#CC(=O)N[C@@H](C)CCC c9717a49753ea79f46cf92ea3c41222f [0,1,0,0,0,1|1,0,0]=3 1180 B9R0.34 C#CC(=O)N[C@@H](C)CCO a146525047b009699a3d26760406fe78 [0,1,0,0,0,1|2,0,0]=4 1181 B9R0.34 C#CC(=O)N[C@@H](C)COC 715f707c4bf77843923547a71ca1c6e9 [0,1,0,0,0,1|2,0,0]=4 1182 B9R0.34 C#CC(=O)N[C@H](C)CCO 6909bed6885e23f8807e434dea95cbf5 [0,1,0,0,0,1|2,0,0]=4 1183 B9R0.34 C#CC(=O)N[C@H](C)COC b3d460a5ec2985e230dceda798eb561c [0,1,0,0,0,1|2,0,0]=4 1184 B9R0.34 C=C(C=O)OC(C)CCC 979f90834a5eca82fa0a112573062881 [0,1,0,0,0,1|1,0,0]=3 1185 B9R0.34 C=C(C=O)OC(C)COC 1d97b37a7578d82741e578e0db2ef36e [0,1,0,0,0,1|2,0,0]=4 1186 B9R0.34 C=C(CN(C)CCC)OC 4b1347482598cf292a1ac84b6f7cec98 [0,1,0,0,0,1|2,0,0]=4 1187 B9R0.34 C=C(CO)CN(C)CCC 517b6ab86ed3cd7a6be3ba32d3b63364 [0,1,0,0,0,1|2,0,0]=4 1188 B9R0.34 C=CC(=O)NC(C)CCC 5ac77412dce7bf0021b564aebcc19f5a [0,1,0,0,0,1|1,0,0]=3 1189 B9R0.34 C=CC(=O)NC(C)CCO ad2e9774473b75af208003aa0540eccf [0,1,0,0,0,1|2,0,0]=4 1190 B9R0.34 C=CC(=O)NC(C)COC 21c2ee0b68b9aeded2d38719f7e2f491 [0,1,0,0,0,1|2,0,0]=4 1191 B9R0.34 C=CC(=O)N[C@@H](C)CCC 679261b3434e976ef3fab88d3604d028 [0,1,0,0,0,1|1,0,0]=3 1192 B9R0.34 C=CC(=O)N[C@@H](C)CCO de81f2e0244b795f631d2a322e51316b [0,1,0,0,0,1|2,0,0]=4 1193 B9R0.34 C=CC(=O)N[C@@H](C)COC c167ba499b81471d2a1d90c284791358 [0,1,0,0,0,1|2,0,0]=4 1194 B9R0.34 C=CC(=O)N[C@H](C)CCO 917f194ba1c773997180ace42f828825 [0,1,0,0,0,1|2,0,0]=4 1195 B9R0.34 C=CC(=O)N[C@H](C)COC b32d325b973567a1e283d201b1875276 [0,1,0,0,0,1|2,0,0]=4 1196 B9R0.34 CC(CC#N)NC(=O)CO 24fa7109777a9284fc41612ab64874d3 [0,1,0,0,0,1|1,0,1]=4 1197 B9R0.34 CC(CCO)NC(=O)C=O d8e672fa6e85dba5b6356f3f455ae6ed [0,1,0,0,0,1|1,0,1]=4 1198 B9R0.34 CC(CCO)NC(=O)CF addcb767053ed3d6461a0258663939dd [0,1,0,0,0,1|2,0,0]=4 1199 B9R0.34 CC(CCO)NC(=O)CO 0427225a7df4f14d3ecf575fbe1c2ca8 [0,1,0,0,0,1|1,0,0]=3 1200 B9R0.34 CC(CCO)NC(=O)CS 36d7e03a5d1c1fe348a7804019d7d313 [0,1,0,0,0,1|1,1,0]=4 1201 B9R0.34 CCC(=O)NC(C)CCO a883fc34859346abd88179101d515e1d [0,1,0,0,0,1|2,0,0]=4 1202 B9R0.34 CCC(=O)NC(C)COC 9d038691261b178e2c31a5ae222e85e5 [0,1,0,0,0,1|2,0,0]=4 1203 B9R0.34 CCC(=O)N[C@@H](C)CCO f39b1caa19cceb4e390c6db1cb780fdc [0,1,0,0,0,1|2,0,0]=4 1204 B9R0.34 CCC(=O)N[C@@H](C)COC 18b9f52b18f606df44997eabf4ae8872 [0,1,0,0,0,1|2,0,0]=4 1205 B9R0.34 CCC(=O)N[C@H](C)CCO b8d67ac64c2350c7e7098139ad8e20ec [0,1,0,0,0,1|2,0,0]=4 1206 B9R0.34 CCC(=O)N[C@H](C)COC 4456c5ca59fc7a24d1313850c49ec7c2 [0,1,0,0,0,1|2,0,0]=4 1207 B9R0.34 CCCC(C)NC(=O)C=O dc38ba5950699f1803639c5140fa8f50 [0,1,0,0,0,1|0,0,1]=3 1208 B9R0.34 CCCC(C)NC(=O)CC 1c5e7d013b6d8314fad6ff12635fab4a [0,1,0,0,0,1|1,0,0]=3 1209 B9R0.34 CCCC(C)NC(=O)CF cd7744f1d589c1a7b205a0234a07d025 [0,1,0,0,0,1|1,0,0]=3 1210 B9R0.34 CCCC(C)NC(=O)CO 984314b099c12612925dab4544371cf9 [0,1,0,0,0,1|0,0,0]=2 1211 B9R0.34 CCCC(C)NC(=O)CS 3bb1ac3eb0af8520569c681c11dd1e08 [0,1,0,0,0,1|0,1,0]=3 1212 B9R0.34 CCCC(C)NC(C)C=O fa7cc0e9df731059b4fa525e747f4a8b [0,1,0,0,0,1|1,0,1]=4 1213 B9R0.34 CCCC(C)NC(C)CO f1b546c082b3150399b3dedc92b1eb25 [0,1,0,0,0,1|1,0,1]=4 1214 B9R0.34 CCCC(C)N[C@@H](C)CO 924415c8c7ffeea5e9aae77fd8583429 [0,1,0,0,0,1|1,0,1]=4 1215 B9R0.34 CCCC(C)N[C@H](C)C=O 149fb08ab35e8b46e1b2f1a31d97c163 [0,1,0,0,0,1|1,0,1]=4 1216 B9R0.34 CCCC(C)N[C@H](C)CO 5a544ae6ee20df77e2fddc7612154f1b [0,1,0,0,0,1|1,0,1]=4 1217 B9R0.34 CCCC(C)OC(C)C=O daa250189bd969a5f64dfbc8ab581207 [0,1,0,0,0,1|1,0,1]=4 1218 B9R0.34 CCCC(C)O[C@H](C)C=O b8de606158b860c81fe72374e1d555f3 [0,1,0,0,0,1|1,0,1]=4 1219 B9R0.34 CCCN(C)CC(=O)CC c80c7d6de1d5253ede7d75a7d9fc6b4c [0,1,0,0,0,1|2,0,0]=4 1220 B9R0.34 CCCN(C)CC(=O)CO 1841a828916dd36659413f240ce49dae [0,1,0,0,0,1|1,0,0]=3 1221 B9R0.34 CCCN(C)CC(=O)NC d85e1507ae005559e38ddcbdbef008c1 [0,1,0,0,0,1|2,0,0]=4 1222 B9R0.34 CCCN(C)CC(=O)OC c724ec5b9ab34c00a457a6a511b7bf14 [0,1,0,0,0,1|1,0,0]=3 1223 B9R0.34 CCC[C@@H](C)OC(C)C=O 1bce1d2e6c195c4eb320e943394be0de [0,1,0,0,0,1|1,0,1]=4 1224 B9R0.34 CCC[C@@H](C)O[C@H](C)C=O eabc786dfb91bb3793575b2f2a9a66e4 [0,1,0,0,0,1|1,0,1]=4 1225 B9R0.34 CCC[C@H](C)NC(=O)C=O 81441a404e2525c1e98a6c56f6b1e7e7 [0,1,0,0,0,1|0,0,1]=3 1226 B9R0.34 CCC[C@H](C)NC(=O)CC ad5f66cc617489af6f8b7c428b7d7795 [0,1,0,0,0,1|1,0,0]=3 1227 B9R0.34 CCC[C@H](C)NC(=O)CF dfb674c0934ab272546ec19a7393ba83 [0,1,0,0,0,1|1,0,0]=3 1228 B9R0.34 CCC[C@H](C)NC(=O)CO d75a0e1acfe3e1874736f9eab8d0c961 [0,1,0,0,0,1|0,0,0]=2 1229 B9R0.34 CCC[C@H](C)NC(=O)CS b9cba590ec9acd80841d765b6372692b [0,1,0,0,0,1|0,1,0]=3 1230 B9R0.34 CCC[C@H](C)NC(C)C=O 7853cb57b661b3764e5cd13b85390ea4 [0,1,0,0,0,1|1,0,1]=4 1231 B9R0.34 CCC[C@H](C)NC(C)CO ad55917cb5ce1236d23db4754b17fe8d [0,1,0,0,0,1|1,0,1]=4 1232 B9R0.34 CCC[C@H](C)N[C@@H](C)CO 75c6dfae577b49818c81dc68b6bb5836 [0,1,0,0,0,1|1,0,1]=4 1233 B9R0.34 CCC[C@H](C)N[C@H](C)C=O a16ab6302ebec20e2ae941420595fc8b [0,1,0,0,0,1|1,0,1]=4 1234 B9R0.34 CCC[C@H](C)N[C@H](C)CO 2f2589b097c3a35f7ca59e5aba74fde7 [0,1,0,0,0,1|1,0,1]=4 1235 B9R0.34 CCC[C@H](C)OC(C)C=O 4077e235063d1423f053353f1b4acd6b [0,1,0,0,0,1|1,0,1]=4 1236 B9R0.34 CCC[C@H](C)O[C@H](C)C=O 24eb961676ef2f8d752e620686c5118c [0,1,0,0,0,1|1,0,1]=4 1237 B9R0.34 CCNC(C)CC(=O)OC 8f5a36e5208499c391d24b252a12bf38 [0,1,0,0,0,1|1,0,0]=3 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1aad489fa1b45518825201dd6f7c38ac [0,1,0,0,0,1|2,0,0]=4 1250 B9R0.34 COC(=O)CN(C)CCS 8a8c2fe6c6a87cff3965790c5275f6ca [0,1,0,0,0,1|2,0,0]=4 1251 B9R0.34 COC(=O)CN(C)CSC 0d6887e7a7c91b703c53f416b59021da [0,1,0,0,0,1|2,0,0]=4 1252 B9R0.34 COC(=O)C[C@@H](C)NCF e8a318d42732337cd2ff2138a3efff74 [0,1,0,0,0,1|2,0,0]=4 1253 B9R0.34 COC(=O)C[C@@H](C)NCO d777fda6d4f2319c41cbabe57c5b3877 [0,1,0,0,0,1|2,0,0]=4 1254 B9R0.34 COC(=O)C[C@@H](C)OCF 7f7d1856387b433cec9b5e54411bfa81 [0,1,0,0,0,1|2,0,0]=4 1255 B9R0.34 COC(=O)C[C@H](C)NCF 2e3f06d4fde4df2be2e62c70eb519f8b [0,1,0,0,0,1|2,0,0]=4 1256 B9R0.34 COC(=O)C[C@H](C)NCO 3fd4d27b51ca9c405e6a5685f286ea0c [0,1,0,0,0,1|2,0,0]=4 1257 B9R0.34 COC(=O)C[C@H](C)OCF 5de665b9654f96b29e1d14acbc21116f [0,1,0,0,0,1|2,0,0]=4 1258 B9R0.34 COCC(C)NC(=O)C=O 7c6101c88d393f86ef52b3d00a97740e [0,1,0,0,0,1|1,0,1]=4 1259 B9R0.34 COCC(C)NC(=O)CF 987bb52ad626c5cacae313be3b87c3d8 [0,1,0,0,0,1|2,0,0]=4 1260 B9R0.34 COCC(C)NC(=O)CO d3dec175a25d21bb24b4de7fa1880277 [0,1,0,0,0,1|1,0,0]=3 1261 B9R0.34 COCC(C)NC(=O)CS e1a8fcf792a039bb68555ce2ecb8a2ab [0,1,0,0,0,1|1,1,0]=4 1262 B9R0.34 COCN(C)CC(=O)OC 33349a2663dda1be891b3184c8c7f1e3 [0,1,0,0,0,1|2,0,0]=4 1263 B9R0.34 COC[C@@H](C)NC(=O)C=O 1c118e5f298277fe11bcf5721dadc36a [0,1,0,0,0,1|1,0,1]=4 1264 B9R0.34 COC[C@@H](C)NC(=O)CF 2608f5636407b701c542c7126f9685e7 [0,1,0,0,0,1|2,0,0]=4 1265 B9R0.34 COC[C@@H](C)NC(=O)CO 405e40dd9fb1508be50d272312b405f6 [0,1,0,0,0,1|1,0,0]=3 1266 B9R0.34 COC[C@@H](C)NC(=O)CS 4c3d8a5b5c3e1741f0ac0f706bde4c21 [0,1,0,0,0,1|1,1,0]=4 1267 B9R0.34 COC[C@H](C)NC(=O)C=O e71153b1401d9ff78fd5472327f20638 [0,1,0,0,0,1|1,0,1]=4 1268 B9R0.34 COC[C@H](C)NC(=O)CF f9d31f6878f92070cf14188f5f1885c7 [0,1,0,0,0,1|2,0,0]=4 1269 B9R0.34 COC[C@H](C)NC(=O)CO c178bb49851d9a839be1a7cecd60fa18 [0,1,0,0,0,1|1,0,0]=3 1270 B9R0.34 COC[C@H](C)NC(=O)CS 6a2f3ccbf83d54c745d9a5f1b7695908 [0,1,0,0,0,1|1,1,0]=4 1271 B9R0.34 C[C@@H](CCO)NC(=O)C=O 414b7153b4d6feae3ebd6684523827cf [0,1,0,0,0,1|1,0,1]=4 1272 B9R0.34 C[C@@H](CCO)NC(=O)CF d59362538fad05ee537a74044bdb6ca8 [0,1,0,0,0,1|2,0,0]=4 1273 B9R0.34 C[C@@H](CCO)NC(=O)CO 492e5a8b88c4346847f95b6840bbc2bb [0,1,0,0,0,1|1,0,0]=3 1274 B9R0.34 C[C@@H](CCO)NC(=O)CS 19199c98226f0ea1ccccd53e8012f2f3 [0,1,0,0,0,1|1,1,0]=4 1275 B9R0.34 C[C@H](CCO)NC(=O)C=O 685a2cc4150d23a946d51f098e0839fd [0,1,0,0,0,1|1,0,1]=4 1276 B9R0.34 C[C@H](CCO)NC(=O)CF 1c8757b1815ed13ca8c25e84deec4738 [0,1,0,0,0,1|2,0,0]=4 1277 B9R0.34 C[C@H](CCO)NC(=O)CO 5fe807d3416590bf88e86606c4b71e27 [0,1,0,0,0,1|1,0,0]=3 1278 B9R0.34 C[C@H](CCO)NC(=O)CS 00d65270f4c8bc713377849a4a318268 [0,1,0,0,0,1|1,1,0]=4 1279 B9R0.44 CCCN(C)CS(=O)(=O)O fabf78212daa1b7d67db98d922dbe2f1 [0,1,0,0,0,1|2,0,0]=4 1280 B9R0.53 C=C(C)CN(C)CC(=O)O 4cf70052902d112170b9898763232e96 [0,1,0,0,0,1|1,0,1]=4 1281 B9R0.53 CC(=O)NC(C)CC(C)C 8d45cf038526f1f1b21f03625b96bc5a [0,1,0,0,0,1|1,0,0]=3 1282 B9R0.53 CC(=O)NC(C)CC(C)O 63f7a0b1a21e0057f34d593522b48745 [0,1,0,0,0,1|1,0,0]=3 1283 B9R0.53 CC(=O)NC(C)CN(C)C 080d07f4f5beebe3409fa257fb59297b [0,1,0,0,0,1|2,0,0]=4 1284 B9R0.53 CC(=O)N[C@@H](C)CN(C)C 43014c5d20c5c62fe7948d957118d7da [0,1,0,0,0,1|2,0,0]=4 1285 B9R0.53 CC(=O)N[C@H](C)CN(C)C 5230f06fe9ab231ef1d6e54a2b222624 [0,1,0,0,0,1|2,0,0]=4 1286 B9R0.53 CC(=O)OC(C)OC(C)C 15386f8b89c66ca0048e9c86cc06f7a3 [0,1,0,0,0,1|2,0,0]=4 1287 B9R0.53 CC(C)CN(C)CC(=O)N 5c9cc70a1c45a460bca69f8e74d95b33 [0,1,0,0,0,1|2,0,0]=4 1288 B9R0.53 CC(C)CN(C)CC(=O)O 8c62f4b6b1fb144868fb4d2e68a9ef67 [0,1,0,0,0,1|1,0,0]=3 1289 B9R0.53 CC(C)NC(C)CC(=O)O 3f158c2507a9d14e5e314adf36bf882d [0,1,0,0,0,1|1,0,0]=3 1290 B9R0.53 CC(C)N[C@@H](C)CC(=O)O a9f55dfe91b2c83d047ae147d6dcde4a [0,1,0,0,0,1|1,0,0]=3 1291 B9R0.53 CC(C)N[C@H](C)CC(=O)O be43bec59f1dc06e78d63a1757b9b9df [0,1,0,0,0,1|1,0,0]=3 1292 B9R0.53 CC(C)OC(C)CC(=O)N 1a3f71026defdb4bc1466fbd6846828b [0,1,0,0,0,1|2,0,0]=4 1293 B9R0.53 CC(C)OC(C)CC(=O)O acd7e8b77db52152b38441c0f09dd249 [0,1,0,0,0,1|1,0,0]=3 1294 B9R0.53 CC(C)O[C@@H](C)CC(=O)O dc36387ca698e3189cbbcbaa8e6d5745 [0,1,0,0,0,1|1,0,0]=3 1295 B9R0.53 CC(C)O[C@H](C)CC(=O)O f085fe61e3ea06f844e5841e23963683 [0,1,0,0,0,1|1,0,0]=3 1296 B9R0.53 CC(O)CN(C)CC(=O)N 0789383bf3113b2b66ba2f420a1c9ffa [0,1,0,0,0,1|2,0,0]=4 1297 B9R0.53 CC(O)CN(C)CC(=O)O 36b5f303d7d498b862a96e5f52dfaaee [0,1,0,0,0,1|1,0,0]=3 1298 B9R0.53 CN(C)CN(C)CC(=O)O 607e109ef7149c2b024c53aa781b5121 [0,1,0,0,0,1|2,0,0]=4 1299 B9R0.53 CN(CC(=O)O)CC(F)F c47cd36c81b539c29f59925d8656ca52 [0,1,0,0,0,1|2,0,0]=4 1300 B9R0.53 C[C@@H](O)CN(C)CC(=O)N 64d4e45be8472fd0e9cbc6e5a9974573 [0,1,0,0,0,1|2,0,0]=4 1301 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 5af70c256fb5937ef5e9d353811b57e0 [0,1,0,0,0,1|1,0,0]=3 1302 B9R0.53 C[C@H](O)CN(C)CC(=O)N 816fbfffe2b5a7af4d98a7fbc3565c00 [0,1,0,0,0,1|2,0,0]=4 1303 B9R0.53 C[C@H](O)CN(C)CC(=O)O be06a32a46d065021265c880ebd02b82 [0,1,0,0,0,1|1,0,0]=3 1304 B9R0.58 CC(=O)NC(C)(C)CCO 6f591a6da6ad2c58b1d89083defd953d [0,1,0,0,0,1|2,0,0]=4 1305 B9R0.58 CC(C)(CC(=O)O)NCF 230342c0b6536257d64c9b6641dc9f32 [0,1,0,0,0,1|2,0,0]=4 1306 B9R0.58 CC(C)(CC(=O)O)NCO e214872f61baefd9a58667932f0a622a [0,1,0,0,0,1|2,0,0]=4 1307 B9R0.58 CCNC(C)(C)CC(=O)C 0a483d9b0e78dfb99f3239cddd5bae6f [0,1,0,0,0,1|2,0,0]=4 1308 B9R0.58 CCNC(C)(C)CC(=O)N 7de0c734444bf18f757afb453ba7c286 [0,1,0,0,0,1|2,0,0]=4 1309 B9R0.58 CCNC(C)(C)CC(=O)O c2e011573111aa7d9c8a484914b52077 [0,1,0,0,0,1|1,0,0]=3 1310 B9R0.58 COCC(C)(C)NC(=O)C 73aefcebf8e7dd4ac9da18ea047b5c42 [0,1,0,0,0,1|2,0,0]=4 1311 B9R0.58 CSCC(C)(C)NC(=O)C 09c0a230744cc58d4c5fa344f033c97d [0,1,0,0,0,1|2,0,0]=4 1312 B9R0.27 C#CC(=O)N(C)C(C)CC 3b1cb0ba2560414dd952f5a9f7aec810 [0,2,0,0,0,0|2,0,0]=4 1313 B9R0.27 C=CC(=O)N(C)C(C)CC a677ec492c6555ab25d79cf2410fce86 [0,2,0,0,0,0|2,0,0]=4 1314 B9R0.27 CC(CO)N(C)C(=O)CO 0e0d41cd8235a5bb1e331b63041202cf [0,2,0,0,0,0|2,0,0]=4 1315 B9R0.27 CCC(=O)C(C)N(C)CC 80d04c9c6919b30b17f31203560fa1e5 [0,2,0,0,0,0|2,0,0]=4 1316 B9R0.27 CCC(=O)N(C)C(C)CC bde5342d9c864dc0699d63b7cff28f18 [0,2,0,0,0,0|2,0,0]=4 1317 B9R0.27 CCC(C)N(C)C(=O)C=O 10e0bf5a5249547d7a881a52aa31bf2d [0,2,0,0,0,0|1,0,1]=4 1318 B9R0.27 CCC(C)N(C)C(=O)CF e43dfa86386439596c426a66353ddcb0 [0,2,0,0,0,0|2,0,0]=4 1319 B9R0.27 CCC(C)N(C)C(=O)CO ef362ee6f991bb046944a1b9fa10b4f7 [0,2,0,0,0,0|1,0,0]=3 1320 B9R0.27 CCC(C)N(C)C(=O)CS 3757dadd571f58b805e75edc1a42e8db [0,2,0,0,0,0|1,1,0]=4 1321 B9R0.27 CCN(C)C(C)C(=O)NC 07964eb143b612726fe0fce8a508cb23 [0,2,0,0,0,0|2,0,0]=4 1322 B9R0.27 CCN(C)C(C)C(=O)OC 2ce66a10778347f29731811a6719d051 [0,2,0,0,0,0|1,0,0]=3 1323 B9R0.27 CCN(C)[C@@H](C)C(=O)OC 6d44433b9c40980fb7ee5f9a4bba1762 [0,2,0,0,0,0|1,0,0]=3 1324 B9R0.27 CCN(C)[C@H](C)C(=O)OC 66b78c8403f67c8c0912bf60edf2a5f6 [0,2,0,0,0,0|1,0,0]=3 1325 B9R0.27 COC(=O)C(C)N(C)CF 30dc338c99925ba3f8390d22507c7f66 [0,2,0,0,0,0|2,0,0]=4 1326 B9R0.27 COC(=O)C(C)N(C)CO 34ab813a548bcdd69a229f8ba1cde927 [0,2,0,0,0,0|2,0,0]=4 1327 B9R0.27 C[C@@H](CO)N(C)C(=O)CO 7f2a103be4c3380dd665fb78ca7a759e [0,2,0,0,0,0|2,0,0]=4 1328 B9R0.27 C[C@H](CO)N(C)C(=O)CO a01bd9532746c87410d1650810bb9b1f [0,2,0,0,0,0|2,0,0]=4 1329 B9R0.28 CCN(C)C(C)(C)C(=O)O 1e7680116e5aae1a3c72454887e9adcf [0,2,0,0,0,0|1,0,0]=3 1330 B9R0.28 CN(CF)C(C)(C)C(=O)O 63f00042f4f11eea0152cb8076c9036c [0,2,0,0,0,0|2,0,0]=4 1331 B9R0.28 CN(CO)C(C)(C)C(=O)O 0eb728d936ac185b6189d2299b5d327f [0,2,0,0,0,0|2,0,0]=4 1332 B9R0.29 CCC(C(=O)N)N(C)CC a0b5ed413496d5f723bff238156ad164 [0,2,0,0,0,0|2,0,0]=4 1333 B9R0.29 CCC(C(=O)O)N(C)CC c538e4ae24aa046d2fdd00f89123f5e1 [0,2,0,0,0,0|1,0,0]=3 1334 B9R0.29 CCN(C)C(CF)C(=O)O 50aa66999b6bb8755ee5455f2976838d [0,2,0,0,0,0|1,0,0]=3 1335 B9R0.29 CCN(C)C(CO)C(=O)O ab79be6b84ef910271315a0e4bf3fd4b [0,2,0,0,0,0|1,0,0]=3 1336 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 4d23087bc5092b5eb7d30309317f714a [0,2,0,0,0,0|1,0,0]=3 1337 B9R0.29 CCN(C)[C@H](CO)C(=O)O c41ee58e427dee9f5257488488b326e5 [0,2,0,0,0,0|1,0,0]=3 1338 B9R0.29 CC[C@@H](C(=O)O)N(C)CC 930dcde365defb38750fba331d85d8d8 [0,2,0,0,0,0|1,0,0]=3 1339 B9R0.29 CC[C@@H](C(=O)O)N(C)CF ea4e660119149f896726d6e737437832 [0,2,0,0,0,0|2,0,0]=4 1340 B9R0.29 CC[C@@H](C(=O)O)N(C)CO fae2afed70cb93f8e439e6c6e3a18d7b [0,2,0,0,0,0|2,0,0]=4 1341 B9R0.29 CC[C@H](C(=O)O)N(C)CC 3fb76b84154a63fac65a55ab1fde4b7d [0,2,0,0,0,0|1,0,0]=3 1342 B9R0.29 CN(CF)C(CO)C(=O)O ac3156df1d1b4db14e09df76b099057d [0,2,0,0,0,0|2,0,0]=4 1343 B9R0.29 CN(CF)[C@@H](CO)C(=O)O d853899711a9d0acb207c5598e25dd49 [0,2,0,0,0,0|2,0,0]=4 1344 B9R0.29 CN(CF)[C@H](CO)C(=O)O 6e585aab916e9eee9aafdfe1f798deb1 [0,2,0,0,0,0|2,0,0]=4 1345 B9R0.29 CN(CO)C(CO)C(=O)O 04f3893027376334cc866c2531ad77be [0,2,0,0,0,0|2,0,0]=4 1346 B9R0.29 CN(CO)[C@@H](CO)C(=O)O 6f382b68e618b85fa27e92b855241f3b [0,2,0,0,0,0|2,0,0]=4 1347 B9R0.29 CN(CO)[C@H](CO)C(=O)O 83db36faa7573b1117281e20842bb034 [0,2,0,0,0,0|2,0,0]=4 1348 B9R0.32 CCC(C)(C)N(C)C(=O)C f2c4ae77096d94b88ddc69431025d77b [0,2,0,0,0,0|2,0,0]=4 1349 B9R0.41 CCC(C#N)N(C)C(=O)C f34a410796fb132d3b843a12379f305e [0,2,0,0,0,0|2,0,0]=4 1350 B9R0.41 CCC(CC)N(C)C(=O)C 05867eee83c6fc8b84fb88234814322e [0,2,0,0,0,0|2,0,0]=4 1351 B9R0.41 CCN(CC)C(C)C(=O)O d0101ec35a87cbc02df1bafa51ac3540 [0,2,0,0,0,0|1,0,0]=3 1352 B9R0.41 CCN(CC)[C@@H](C)C(=O)O b293752e872bff7809db3f4999e13ed4 [0,2,0,0,0,0|1,0,0]=3 1353 B9R0.41 CCN(CC)[C@H](C)C(=O)O 4fad9fcac6c0bafd99691a6eb1b0ba2a [0,2,0,0,0,0|1,0,0]=3 1354 B9R0.41 CCN(CF)C(C)C(=O)O 11187c55a9fa3a1f00ebca063e5eb7f5 [0,2,0,0,0,0|1,0,0]=3 1355 B9R0.41 CCN(CF)[C@@H](C)C(=O)O 0bb66ee39bc122d2eff8007852f955ea [0,2,0,0,0,0|1,0,0]=3 1356 B9R0.41 CCN(CF)[C@H](C)C(=O)O f3004c27813452be49a3cf5ee642d8cc [0,2,0,0,0,0|1,0,0]=3 1357 B9R0.41 CCN(CO)C(C)C(=O)O dcebe1327b88d91fbf46b604427648b3 [0,2,0,0,0,0|1,0,0]=3 1358 B9R0.41 CCN(CO)[C@@H](C)C(=O)O 2cf8e096294829744e401d0958772926 [0,2,0,0,0,0|1,0,0]=3 1359 B9R0.41 CCN(CO)[C@H](C)C(=O)O a98a367bfdf0574e9735d0d74e6e0690 [0,2,0,0,0,0|1,0,0]=3 1360 B9R0.79 CC(=O)C(C)N(C)C(C)C 671bf142c263466554d58da0036009a5 [0,2,0,0,0,0|2,0,0]=4 1361 B9R0.79 CC(=O)N(C)C(C)C(C)C 36fb0da84ce96436c1f6865fe92b6f6f [0,2,0,0,0,0|2,0,0]=4 1362 B9R0.79 CC(C)N(C)C(C)C(=O)N 0675d0f0926bd17bd5837ef1933daf76 [0,2,0,0,0,0|2,0,0]=4 1363 B9R0.79 CC(C)N(C)C(C)C(=O)O e86e3ef885a98e9581732e5b4fd4673a [0,2,0,0,0,0|1,0,0]=3 1364 B9R0.79 CC(C)N(C)[C@@H](C)C(=O)N 76b9e738bcd2d6424cf7ba5358b318f3 [0,2,0,0,0,0|2,0,0]=4 1365 B9R0.79 CC(C)N(C)[C@@H](C)C(=O)O 801e51c74bed5f1ec1af558778f654a6 [0,2,0,0,0,0|1,0,0]=3 1366 B9R0.79 CC(C)N(C)[C@H](C)C(=O)N 0bcd1554faa8672651c4dce38f8a1bbf [0,2,0,0,0,0|2,0,0]=4 1367 B9R0.79 CC(C)N(C)[C@H](C)C(=O)O 92464dee844224f6dd9bbc5f0671fad7 [0,2,0,0,0,0|1,0,0]=3 1368 B9R0.8 C#CC(=O)N(C)CCCC 982193d7698117672f4d7e3567180a56 [0,2,0,0,0,0|2,0,0]=4 1369 B9R0.8 C#CC(=O)N(C)CCCO d704efe2f48ab059030ba2b7464d908d [0,2,0,0,0,0|2,0,0]=4 1370 B9R0.8 C#CC(=O)N(C)CCOC 416f87b5d995c804fb9b0eec9c4bf227 [0,2,0,0,0,0|2,0,0]=4 1371 B9R0.8 C#CC(=O)N(C)CCSC 9c1c34841cb6008fc5131a358e0d48f5 [0,2,0,0,0,0|2,0,0]=4 1372 B9R0.8 C#CCCN(C)C(=O)CO 9391f004358539ddeeb0c44ec9330682 [0,2,0,0,0,0|1,0,1]=4 1373 B9R0.8 C#CCNC(C)C(=O)OC 79493a8714d347ee0d461b9b042951bb [0,2,0,0,0,0|0,0,2]=4 1374 B9R0.8 C#CCN[C@@H](C)C(=O)OC 8b8f97a83c723d443b206638bfb34ea5 [0,2,0,0,0,0|0,0,2]=4 1375 B9R0.8 C#CCN[C@H](C)C(=O)OC 86cd9bde80b45cd85e071a58d37ec0b4 [0,2,0,0,0,0|0,0,2]=4 1376 B9R0.8 C#CCOC(C)C(=O)OC cd145511d3569e22f0340b1c4bdbc77e [0,2,0,0,0,0|0,0,2]=4 1377 B9R0.8 C#CCO[C@@H](C)C(=O)OC 14e66cc1de076cf8124483d618acb933 [0,2,0,0,0,0|0,0,2]=4 1378 B9R0.8 C#CCO[C@H](C)C(=O)OC 9cd4c2dd8efdf42c441a65cb6361db43 [0,2,0,0,0,0|0,0,2]=4 1379 B9R0.8 C=C(COCC)C(=O)OC ae9c69942d2175975ce6919e23e76991 [0,2,0,0,0,0|0,0,2]=4 1380 B9R0.8 C=CC(=O)N(C)CCCC b6746789bae1db9fe64148b7a62e68a4 [0,2,0,0,0,0|2,0,0]=4 1381 B9R0.8 C=CC(=O)N(C)CCCO 34c5e819a15dd4e82be51e723b0d308e [0,2,0,0,0,0|2,0,0]=4 1382 B9R0.8 C=CC(=O)N(C)CCOC c87a2a4d55ac86aa7523a60fdc086c79 [0,2,0,0,0,0|2,0,0]=4 1383 B9R0.8 C=CC(=O)N(C)CCSC 678c2a94ed9ef7a615308b14c2ecd056 [0,2,0,0,0,0|2,0,0]=4 1384 B9R0.8 C=CCCN(C)C(=O)CO ff36baaecd7bd8206bd12a66c60feddd [0,2,0,0,0,0|1,0,1]=4 1385 B9R0.8 C=CCOC(C)C(=O)OC 0a7875fb2a25b273f84335b6e58236de [0,2,0,0,0,0|0,0,2]=4 1386 B9R0.8 C=CCO[C@@H](C)C(=O)OC 88d79d5d7d17fe2b83159311c71ded61 [0,2,0,0,0,0|0,0,2]=4 1387 B9R0.8 C=CCO[C@H](C)C(=O)OC d121fcdbf30bfc10a7ac2529b9eaad73 [0,2,0,0,0,0|0,0,2]=4 1388 B9R0.8 CCC(=O)C(C)NCCBr 64e34f4df5f4e8d1bef3f4978862f1f8 [0,2,0,0,0,0|2,0,0]=4 1389 B9R0.8 CCC(=O)C(C)NCCF 5e70f984eb2d5dc4c1903fcb0a3e2f41 [0,2,0,0,0,0|2,0,0]=4 1390 B9R0.8 CCC(=O)C(C)NCCI bc4fd901bdb585c117088feb170c7ea7 [0,2,0,0,0,0|2,0,0]=4 1391 B9R0.8 CCC(=O)C(C)NCCO a6ca7b75b4dcee243dcdf60254103368 [0,2,0,0,0,0|2,0,0]=4 1392 B9R0.8 CCC(=O)C(C)NCCS bb59428fe74c12422654a92f73d8b77f [0,2,0,0,0,0|2,0,0]=4 1393 B9R0.8 CCC(=O)C(C)OCCF a2a3e7db9ccfd3c538c971c8b56be4b0 [0,2,0,0,0,0|2,0,0]=4 1394 B9R0.8 CCC(=O)C(C)OCCS 972e0b806873bc366e31ae5f8572a7b3 [0,2,0,0,0,0|2,0,0]=4 1395 B9R0.8 CCC(=O)C(C)OCOC 3addba24d482e33b3f3ace5923030d28 [0,2,0,0,0,0|2,0,0]=4 1396 B9R0.8 CCC(=O)N(C)CCCO abe1c532feffa5d924432cc826e9ba1a [0,2,0,0,0,0|2,0,0]=4 1397 B9R0.8 CCC(=O)N(C)CCOC f7bd9d478d8c782d3736c126b1486194 [0,2,0,0,0,0|2,0,0]=4 1398 B9R0.8 CCC(=O)N(C)CCSC aab6c2a6f5f967173dcbf121b5f2b04a [0,2,0,0,0,0|2,0,0]=4 1399 B9R0.8 CCCCN(C)C(=O)C=O ed88baf3777d406fb62edc639f2ad7fc [0,2,0,0,0,0|1,0,1]=4 1400 B9R0.8 CCCCN(C)C(=O)CC 0e002209ec811d39c4d1fc3cb831356f [0,2,0,0,0,0|2,0,0]=4 1401 B9R0.8 CCCCN(C)C(=O)CF f74557b45a03626a8ff166c34b446fd4 [0,2,0,0,0,0|2,0,0]=4 1402 B9R0.8 CCCCN(C)C(=O)CO 4ba88839945a674ab9ac3fbe8c51fb1c [0,2,0,0,0,0|1,0,0]=3 1403 B9R0.8 CCCCN(C)C(=O)CS 062af0d1684fb716d13d17c60980012b [0,2,0,0,0,0|1,1,0]=4 1404 B9R0.8 CCCNC(=O)C(=O)OC 4b33c548ce70d1a847225c6eb880f588 [0,2,0,0,0,0|1,0,1]=4 1405 B9R0.8 CCCNC(C)C(=O)CC 0217f82457b5f9eb91d7c99d41f3f7e0 [0,2,0,0,0,0|1,0,0]=3 1406 B9R0.8 CCCNC(C)C(=O)NC 7e671fb821570ee51777de2cb4346876 [0,2,0,0,0,0|1,0,0]=3 1407 B9R0.8 CCCNC(C)C(=O)OC 31247040e57fcd82f8a5006ea35f44b3 [0,2,0,0,0,0|0,0,0]=2 1408 B9R0.8 CCCN[C@@H](C)C(=O)OC 59d491ac2868b6f8a0c3d1e8728d0ebe [0,2,0,0,0,0|0,0,0]=2 1409 B9R0.8 CCCN[C@H](C)C(=O)OC 341714f23671a6f279f2ba9d2fc394e9 [0,2,0,0,0,0|0,0,0]=2 1410 B9R0.8 CCCOC(C)C(=O)CC 8ed9139bb3e33585a0fa3a410f80c3d4 [0,2,0,0,0,0|1,0,0]=3 1411 B9R0.8 CCCOC(C)C(=O)NC 6c6db500b3d123e7885d4c8a3542da86 [0,2,0,0,0,0|1,0,0]=3 1412 B9R0.8 CCCOC(C)C(=O)OC 6aeb6cf87a11cad68a57c617fd4dd6b3 [0,2,0,0,0,0|0,0,0]=2 1413 B9R0.8 CCCOC(C)C(C)OC fd3176827a21545dd285f6fc06157a6f [0,2,0,0,0,0|1,0,1]=4 1414 B9R0.8 CCCO[C@@H](C)C(=O)OC 74882931e69b82142f87fd9cd5771d40 [0,2,0,0,0,0|0,0,0]=2 1415 B9R0.8 CCCO[C@H](C)C(=O)OC df7cac25b325230b3fd4729465a84aae [0,2,0,0,0,0|0,0,0]=2 1416 B9R0.8 CCNCC(C)C(=O)OC 23788628878427ebf06f8ab1848fc209 [0,2,0,0,0,0|0,0,0]=2 1417 B9R0.8 CCOCC(C)C(=O)OC 80236c9332b15389a08a7441e9591cd6 [0,2,0,0,0,0|0,0,0]=2 1418 B9R0.8 CCOCC(F)C(=O)OC 293289f16cf9b946a849bc2001cde08d [0,2,0,0,0,0|1,0,0]=3 1419 B9R0.8 CCOC[C@@H](C)C(=O)OC 906e0220267f0d94eef2fb7d2be7e97d [0,2,0,0,0,0|0,0,0]=2 1420 B9R0.8 CCOC[C@H](C)C(=O)OC d76376f8be763bf61f075f3cd3189478 [0,2,0,0,0,0|0,0,0]=2 1421 B9R0.8 CN(CCC#N)C(=O)CO d69cbcdfe97f70ec8d85125b20cdd58d [0,2,0,0,0,0|1,0,1]=4 1422 B9R0.8 CN(CCCO)C(=O)C=O 20a911cd4e654fe5d61782dffc3b9167 [0,2,0,0,0,0|1,0,1]=4 1423 B9R0.8 CN(CCCO)C(=O)CF 331a784d555995c4c9b3b3a6d4d4236d [0,2,0,0,0,0|2,0,0]=4 1424 B9R0.8 CN(CCCO)C(=O)CO 5a4e94ffd18aedd02762a4d4101b67f7 [0,2,0,0,0,0|1,0,0]=3 1425 B9R0.8 CN(CCCO)C(=O)CS 0092eea06cdd168118c6208d31901dbb [0,2,0,0,0,0|1,1,0]=4 1426 B9R0.8 CN(CCON)C(=O)CO 5875ce0cf32db215ca5cf564c12658bd [0,2,0,0,0,0|2,0,0]=4 1427 B9R0.8 CNC(=O)C(C)NCCBr 04d70022f61dc3985f03392a1ed02fef [0,2,0,0,0,0|2,0,0]=4 1428 B9R0.8 CNC(=O)C(C)NCCF 6975bc8f18a0b322fa3dad951c9d2ede [0,2,0,0,0,0|2,0,0]=4 1429 B9R0.8 CNC(=O)C(C)NCCI f861448d15ed8e9fc626cc94e80002ed [0,2,0,0,0,0|2,0,0]=4 1430 B9R0.8 CNC(=O)C(C)NCCO 6f83d014da645ae22e5c0822e45b17b2 [0,2,0,0,0,0|2,0,0]=4 1431 B9R0.8 CNC(=O)C(C)NCCS 8ec31e91c5f181165dde530c6dd4fb83 [0,2,0,0,0,0|2,0,0]=4 1432 B9R0.8 CNC(=O)C(C)NCOC f457961c38fd2aae6d29e1b3fd385826 [0,2,0,0,0,0|2,0,0]=4 1433 B9R0.8 CNC(=O)C(C)NCSC ea1716faf340f1818806a7abcc0c6840 [0,2,0,0,0,0|2,0,0]=4 1434 B9R0.8 COC(=O)C(C)CNC#N 47351a0c5ed270af094358da8ef45703 [0,2,0,0,0,0|1,0,1]=4 1435 B9R0.8 COC(=O)C(C)CNC=O 08ab41b0f2d4b1534c0f9bd051c36c82 [0,2,0,0,0,0|1,0,1]=4 1436 B9R0.8 COC(=O)C(C)CNCF cb798ae47354359e4aa3ce08e5780b21 [0,2,0,0,0,0|1,0,0]=3 1437 B9R0.8 COC(=O)C(C)CNCO 39ae0c3a7f42291995fad179d22a5a37 [0,2,0,0,0,0|1,0,0]=3 1438 B9R0.8 COC(=O)C(C)COCF 44c811abb8c01f8301de11413ac270b8 [0,2,0,0,0,0|1,0,0]=3 1439 B9R0.8 COC(=O)C(C)NCC#N f08d4fdbcc4eb133ab632275c153f6a3 [0,2,0,0,0,0|1,0,1]=4 1440 B9R0.8 COC(=O)C(C)NCCBr 318217e792ebb1d973731bba243d49af [0,2,0,0,0,0|1,0,0]=3 1441 B9R0.8 COC(=O)C(C)NCCF 71d141bda7d2e6224ae3a7dfa1cc21b5 [0,2,0,0,0,0|1,0,0]=3 1442 B9R0.8 COC(=O)C(C)NCCI 808cf0c74c9ef45588975ce10780d025 [0,2,0,0,0,0|1,0,0]=3 1443 B9R0.8 COC(=O)C(C)NCCO 3704bd53df6df337c4b06e83d714ea07 [0,2,0,0,0,0|1,0,0]=3 1444 B9R0.8 COC(=O)C(C)NCCS d967f38e4459ed498d224e4b3cdd61d6 [0,2,0,0,0,0|1,0,0]=3 1445 B9R0.8 COC(=O)C(C)OCC#N b8c7a08fa202e0cca2d3921c24270ded [0,2,0,0,0,0|1,0,1]=4 1446 B9R0.8 COC(=O)C(C)OCC=O 544d16fbbef4927eadcf41fbbdf31009 [0,2,0,0,0,0|1,0,1]=4 1447 B9R0.8 COC(=O)C(C)OCCF 100059756fd900098c62556a2ae1ce35 [0,2,0,0,0,0|1,0,0]=3 1448 B9R0.8 COC(=O)C(C)OCCS e7025bf903a8d5f820d0296de478345d [0,2,0,0,0,0|1,0,0]=3 1449 B9R0.8 COC(=O)C(C)OCSC ebd918713d697a3d130a3e5b592f95ea [0,2,0,0,0,0|1,0,0]=3 1450 B9R0.8 COC(=O)C(F)COCF 2dc6959195a5fe8d4df94c060794b142 [0,2,0,0,0,0|2,0,0]=4 1451 B9R0.8 COC(=O)[C@@H](C)CNC#N d020303d424b8630e827e3884d162e09 [0,2,0,0,0,0|1,0,1]=4 1452 B9R0.8 COC(=O)[C@@H](C)COCF 1a2bfc633e0045cecdf11723a1d5a8ff [0,2,0,0,0,0|1,0,0]=3 1453 B9R0.8 COC(=O)[C@@H](C)NCC#N 9a1a982e5ecc8763e7fd5f330da8c87a [0,2,0,0,0,0|1,0,1]=4 1454 B9R0.8 COC(=O)[C@@H](C)NCCBr a7727686203549a3c6c9f0e726c31918 [0,2,0,0,0,0|1,0,0]=3 1455 B9R0.8 COC(=O)[C@@H](C)NCCF 854f6045fdda5f63c114321a012dcb77 [0,2,0,0,0,0|1,0,0]=3 1456 B9R0.8 COC(=O)[C@@H](C)NCCI bff6d9e508b7c6d11972d1a2df59cf2b [0,2,0,0,0,0|1,0,0]=3 1457 B9R0.8 COC(=O)[C@@H](C)NCCO b68c9ce4d70e10c92b29d39f736b232c [0,2,0,0,0,0|1,0,0]=3 1458 B9R0.8 COC(=O)[C@@H](C)NCCS 16fd58839d6241df4620a33b0b32294f [0,2,0,0,0,0|1,0,0]=3 1459 B9R0.8 COC(=O)[C@@H](C)OCC#N 2d5df1c12733f602f863ea4b764b26eb [0,2,0,0,0,0|1,0,1]=4 1460 B9R0.8 COC(=O)[C@@H](C)OCC=O 3fa6ef2247221ceccdf82915172d9dd4 [0,2,0,0,0,0|1,0,1]=4 1461 B9R0.8 COC(=O)[C@@H](C)OCCF d1c1991f25a8b884548cfd60d33876dd [0,2,0,0,0,0|1,0,0]=3 1462 B9R0.8 COC(=O)[C@@H](C)OCCS 9ef70f4f282a66cce9dfb1e835575055 [0,2,0,0,0,0|1,0,0]=3 1463 B9R0.8 COC(=O)[C@@H](C)OCSC 28e79a44863d047cc528276a78c0c9cd [0,2,0,0,0,0|1,0,0]=3 1464 B9R0.8 COC(=O)[C@H](C)CNC#N 71434f13b9fe517e9aa675c0bf6dfd95 [0,2,0,0,0,0|1,0,1]=4 1465 B9R0.8 COC(=O)[C@H](C)COCF 2f05fad9d2d30bccec9db2790e196eb9 [0,2,0,0,0,0|1,0,0]=3 1466 B9R0.8 COC(=O)[C@H](C)NCC#N e11abdcf62651e521fc666960c5a413f [0,2,0,0,0,0|1,0,1]=4 1467 B9R0.8 COC(=O)[C@H](C)NCCBr 931d0ff08d117885f89eb4b7587512d9 [0,2,0,0,0,0|1,0,0]=3 1468 B9R0.8 COC(=O)[C@H](C)NCCF 74e88c5906e78f07303f636bab0e6889 [0,2,0,0,0,0|1,0,0]=3 1469 B9R0.8 COC(=O)[C@H](C)NCCI 8a19482f865475e7e3188051cf1bf197 [0,2,0,0,0,0|1,0,0]=3 1470 B9R0.8 COC(=O)[C@H](C)NCCO cdd55a005482a8e8a4c2e356ff4de70b [0,2,0,0,0,0|1,0,0]=3 1471 B9R0.8 COC(=O)[C@H](C)NCCS 908f3e3fb039ce6a81955ab5f0462302 [0,2,0,0,0,0|1,0,0]=3 1472 B9R0.8 COC(=O)[C@H](C)OCC#N ab508d98c49678dbcfcdfbef7a0754e0 [0,2,0,0,0,0|1,0,1]=4 1473 B9R0.8 COC(=O)[C@H](C)OCC=O 2b1944f43b7a0d9412d824c87b148e35 [0,2,0,0,0,0|1,0,1]=4 1474 B9R0.8 COC(=O)[C@H](C)OCCF 29fbfe09a06b54c89987b94c571cc4e4 [0,2,0,0,0,0|1,0,0]=3 1475 B9R0.8 COC(=O)[C@H](C)OCCS cacca195083b683b3e20b6ded7274a88 [0,2,0,0,0,0|1,0,0]=3 1476 B9R0.8 COC(=O)[C@H](C)OCSC 18a62ed2db31e4b687bb63a6d3283424 [0,2,0,0,0,0|1,0,0]=3 1477 B9R0.8 COCCN(C)C(=O)C=O c07dc6c6722601adad15ec6f7a798a1a [0,2,0,0,0,0|1,0,1]=4 1478 B9R0.8 COCCN(C)C(=O)CF 7937ca482b2f185bd80ac6bc33399e44 [0,2,0,0,0,0|2,0,0]=4 1479 B9R0.8 COCCN(C)C(=O)CO b05ec1e125c3dab3c2c7c0e1019757c0 [0,2,0,0,0,0|1,0,0]=3 1480 B9R0.8 COCCN(C)C(=O)CS 9c2e6dd070fa16c8ded86707c4115603 [0,2,0,0,0,0|1,1,0]=4 1481 B9R0.8 COCOC(C)C(=O)OC 9848f05d221db1285aa396c5cdb54009 [0,2,0,0,0,0|1,0,0]=3 1482 B9R0.8 COCO[C@@H](C)C(=O)OC d3164128e1fe62adbc450c7289f3cf7d [0,2,0,0,0,0|1,0,0]=3 1483 B9R0.8 COCO[C@H](C)C(=O)OC 17521579f3e79d24afec0b769bf2889d [0,2,0,0,0,0|1,0,0]=3 1484 B9R0.8 CSCCN(C)C(=O)C=O b6062168d5c130d510edba05705a19b6 [0,2,0,0,0,0|1,0,1]=4 1485 B9R0.8 CSCCN(C)C(=O)CF 30138cc738fe153c7dc4905c7992f55d [0,2,0,0,0,0|2,0,0]=4 1486 B9R0.8 CSCCN(C)C(=O)CO 82f74320f315c444aa3bc2b7091c9fd8 [0,2,0,0,0,0|1,0,0]=3 1487 B9R0.8 CSCCN(C)C(=O)CS 3b3e818ac6200d69e4af12be898541f0 [0,2,0,0,0,0|1,1,0]=4 1488 B9R0.12 C#CC(=O)N(CC)CCC a3ef3c531a80ffd27139b60458c30b9c [0,2,0,0,0,0|2,0,0]=4 1489 B9R0.12 C=CC(=O)N(CC)CCC 65eb831993d87b34fe266e3220a8d19b [0,2,0,0,0,0|2,0,0]=4 1490 B9R0.12 C=CC(OCC)C(=O)OC ba17400c182b6eb52292b1acf453e8ee [0,2,0,0,0,0|1,0,1]=4 1491 B9R0.12 CCC(NCF)C(=O)NO d1288e73761138de1874c0d00b064ecf [0,2,0,0,0,0|2,0,0]=4 1492 B9R0.12 CCC(NCO)C(=O)NO 328ad804c05b893753f5e98994727068 [0,2,0,0,0,0|2,0,0]=4 1493 B9R0.12 CCC(OCF)C(=O)OC 55687e90d4b2f1392f8b02b104acbf03 [0,2,0,0,0,0|2,0,0]=4 1494 B9R0.12 CCCN(CC)C(=O)C=O a19f97e09aa2fe0ef98428a0a9f1811e [0,2,0,0,0,0|1,0,1]=4 1495 B9R0.12 CCCN(CC)C(=O)CC cb71ae41710f8d3a5ad167a9d95c6ac7 [0,2,0,0,0,0|2,0,0]=4 1496 B9R0.12 CCCN(CC)C(=O)CF 3d2f2763b8a620aa56d6ebbecfb48f96 [0,2,0,0,0,0|2,0,0]=4 1497 B9R0.12 CCCN(CC)C(=O)CO 560b89c92582f9173a4199876e21858a [0,2,0,0,0,0|1,0,0]=3 1498 B9R0.12 CCCN(CC)C(=O)CS f1a6f4306ac96c5ec9491d28032a38ac [0,2,0,0,0,0|1,1,0]=4 1499 B9R0.12 CCN(CCCl)C(=O)CO 23f47ce523979d586745acfe6892faf0 [0,2,0,0,0,0|2,0,0]=4 1500 B9R0.12 CCN(CCO)C(=O)CO 8b9c20fafbba720038e4305ee509853b [0,2,0,0,0,0|2,0,0]=4 1501 B9R0.12 CCNC(C#N)C(=O)OC 2a2b6bcd48014bb369c11522fdd4163a [0,2,0,0,0,0|1,0,1]=4 1502 B9R0.12 CCNC(CC)C(=O)NC 2e9e59786ec48c057ad8574cac760264 [0,2,0,0,0,0|2,0,0]=4 1503 B9R0.12 CCNC(CC)C(=O)NO 3c750cdb20865e825ba5bda1da9e8f2a [0,2,0,0,0,0|1,0,0]=3 1504 B9R0.12 CCNC(CO)C(=O)NC a8a743f54ce5e65411957d3e2de1f0b1 [0,2,0,0,0,0|2,0,0]=4 1505 B9R0.12 CCNC(CO)C(=O)NO 58673d142b30f61f6d9ff737ce2ae32d [0,2,0,0,0,0|1,0,0]=3 1506 B9R0.12 CCNC(CO)C(=O)OC 70d20069b7c2c33b6735ce5c2d2d9890 [0,2,0,0,0,0|1,0,0]=3 1507 B9R0.12 CCN[C@@H](CC)C(=O)OC 999d31d45781ad98aaae06f410e03277 [0,2,0,0,0,0|1,0,0]=3 1508 B9R0.12 CCN[C@@H](CO)C(=O)OC 783f1436070e4ef27e239c2bc5ae76f8 [0,2,0,0,0,0|1,0,0]=3 1509 B9R0.12 CCN[C@@H](CS)C(=O)OC a3ae20d2eca73c3d6eb7c5baec80f314 [0,2,0,0,0,0|1,0,0]=3 1510 B9R0.12 CCN[C@H](CC)C(=O)OC 56b2ee816420f8b5360e16d9be2a9530 [0,2,0,0,0,0|1,0,0]=3 1511 B9R0.12 CCN[C@H](CO)C(=O)OC 7e7907490e3448d34d068e96647db937 [0,2,0,0,0,0|1,0,0]=3 1512 B9R0.12 CCOC(C#N)C(=O)OC 7550b9a56c75dcfedb89f20d340f3156 [0,2,0,0,0,0|1,0,1]=4 1513 B9R0.12 CCOC(CC)C(=O)CC dc229763be7b8d495a3c742a2765e48c [0,2,0,0,0,0|2,0,0]=4 1514 B9R0.12 CCOC(CC)C(=O)OC dafeac8a9e49a0ca9bcc192bdedd1ece [0,2,0,0,0,0|1,0,0]=3 1515 B9R0.12 CCOC(OC)C(=O)OC 739d4987749edc9d825824bfb39658eb [0,2,0,0,0,0|1,0,0]=3 1516 B9R0.12 CCO[C@@H](CC)C(=O)OC 5a2831785b533bb4fd647aebbcb4d403 [0,2,0,0,0,0|1,0,0]=3 1517 B9R0.12 CCO[C@H](CC)C(=O)OC 46c21ea7eed63401aa22bf6ce0cd90ba [0,2,0,0,0,0|1,0,0]=3 1518 B9R0.12 CC[C@@H](NCF)C(=O)OC b99a81de7d006795f75701e16779bfe5 [0,2,0,0,0,0|2,0,0]=4 1519 B9R0.12 CC[C@@H](NCO)C(=O)OC e3105b67df5bad4f92666a3b6e1173c4 [0,2,0,0,0,0|2,0,0]=4 1520 B9R0.12 CC[C@@H](OCF)C(=O)OC 45b802a0d43e9cd94252abf26ce09d6a [0,2,0,0,0,0|2,0,0]=4 1521 B9R0.12 CC[C@H](NCF)C(=O)OC fe09686712e657a883068fd953ef01ba [0,2,0,0,0,0|2,0,0]=4 1522 B9R0.12 CC[C@H](NCO)C(=O)OC 8463a4624e847aa288aa293e75dbf577 [0,2,0,0,0,0|2,0,0]=4 1523 B9R0.12 CC[C@H](OCF)C(=O)OC d6495aac60b87cd28fd4ef32e8fedf64 [0,2,0,0,0,0|2,0,0]=4 1524 B9R0.12 COC(=O)C(CO)NCF 05a3cdbef1c43bbbbb750972720cce7f [0,2,0,0,0,0|2,0,0]=4 1525 B9R0.12 COC(=O)C(CO)NCO 490a01e735ac8beed75787032171bfd0 [0,2,0,0,0,0|2,0,0]=4 1526 B9R0.12 COC(=O)C(OC)OCF 35701b00d6eacb6776bf0026fcf9efab [0,2,0,0,0,0|2,0,0]=4 1527 B9R0.12 COC(=O)[C@@H](CO)NCF 5a4f29f3b864a135ca88e819d5197e28 [0,2,0,0,0,0|2,0,0]=4 1528 B9R0.12 COC(=O)[C@@H](CO)NCO b6672a3c8bf1a26774fa3fabbfd28c44 [0,2,0,0,0,0|2,0,0]=4 1529 B9R0.12 COC(=O)[C@H](CO)NCF c5a3b4340058b0343db6536181caf138 [0,2,0,0,0,0|2,0,0]=4 1530 B9R0.12 COC(=O)[C@H](CO)NCO 9d0486434e441b0c73b71f38fe1e9b35 [0,2,0,0,0,0|2,0,0]=4 1531 B9R0.12 COC(=O)[C@H](CS)NCF 179f28a0e2ef956d74ac4b4057c8a7bc [0,2,0,0,0,0|2,0,0]=4 1532 B9R0.12 COC(=O)[C@H](CS)NCO 6d645cba1b3428d2851946128e307ff2 [0,2,0,0,0,0|2,0,0]=4 1533 B9R0.12 O=C(CO)N(CO)CCO 20743a5b2f0860813a3db243d1c93ab8 [0,2,0,0,0,0|2,0,0]=4 1534 B9R0.12 O=C(NO)C(CO)NCF 7e4d8f382ff283ebaa9fc2a2a34f0edc [0,2,0,0,0,0|2,0,0]=4 1535 B9R0.12 O=C(NO)C(CO)NCO 34bb5020fbb93d093dbee4e9dabb2a6d [0,2,0,0,0,0|2,0,0]=4 1536 B9R0.35 C#CCC(=O)N(C)CCC 711dbd662e53c3eddc8a5b357e4417db [0,2,0,0,0,0|2,0,0]=4 1537 B9R0.35 C/C=C/C(=O)N(C)CCC 7176acd508d8bda847e992f2438ce3b5 [0,2,0,0,0,0|2,0,0]=4 1538 B9R0.35 C=CCC(=O)N(C)CCC d804da72f85ca58458cb9a8dec056216 [0,2,0,0,0,0|2,0,0]=4 1539 B9R0.35 CC#CC(=O)N(C)CCC 79b4e949f88cb049edf25ebd5795c85c [0,2,0,0,0,0|2,0,0]=4 1540 B9R0.35 CCCC(=O)N(C)CCC 4f10a4b8ce3fe8d6db7f1b42323fcb3d [0,2,0,0,0,0|2,0,0]=4 1541 B9R0.35 CCCC(C)N(C)CCO 888508bb16d0b867fea74648d386b675 [0,2,0,0,0,0|2,0,0]=4 1542 B9R0.35 CCCC(O)C(=O)NC#N 65490c200432dec3cbe0b07b8ca95d15 [0,2,0,0,0,0|2,0,0]=4 1543 B9R0.35 CCCN(C)C(=O)/C=C/Br fc814f761577aa3d4f02f719a5d202ef [0,2,0,0,0,0|2,0,0]=4 1544 B9R0.35 CCCN(C)C(=O)/C=C/Cl 1283073d4cd42cd3e455ed09342c0bf1 [0,2,0,0,0,0|2,0,0]=4 1545 B9R0.35 CCCN(C)C(=O)/C=C/I 1e115d4908d9c1288cffe40af76dfe42 [0,2,0,0,0,0|2,0,0]=4 1546 B9R0.35 CCCN(C)C(=O)/C=C\Br c5a8a06ce189211d048e26eafd7d3eb7 [0,2,0,0,0,0|2,0,0]=4 1547 B9R0.35 CCCN(C)C(=O)/C=C\Cl 0aea5df2ccb43e4731b068267f648ce9 [0,2,0,0,0,0|2,0,0]=4 1548 B9R0.35 CCCN(C)C(=O)/C=C\I 48dd8bdd5a41adfc2aad2a516b6b5d98 [0,2,0,0,0,0|2,0,0]=4 1549 B9R0.35 CCCN(C)C(=O)C#CBr 4756c9c913379836372025d8453728f4 [0,2,0,0,0,0|2,0,0]=4 1550 B9R0.35 CCCN(C)C(=O)C=CBr 4027752ba16a85b4bb9b95cede57ae13 [0,2,0,0,0,0|2,0,0]=4 1551 B9R0.35 CCCN(C)C(=O)C=CI 0b31b5e766f37f2a15f2d3d37ae69ef2 [0,2,0,0,0,0|2,0,0]=4 1552 B9R0.35 CCCN(C)C(=O)CC#N 4deacd5d240ddbe97703bc6b6d285eef [0,2,0,0,0,0|2,0,0]=4 1553 B9R0.35 CCCN(C)C(=O)CC=O 53b9d999b44048d70cd71c5e038ea488 [0,2,0,0,0,0|1,0,1]=4 1554 B9R0.35 CCCN(C)C(=O)CCF 3692c7802f2ced3890f500b9fb96e349 [0,2,0,0,0,0|2,0,0]=4 1555 B9R0.35 CCCN(C)C(=O)CCO 2c358179ff5e9410b64eb75b4194687e [0,2,0,0,0,0|1,0,0]=3 1556 B9R0.35 CCCN(C)C(=O)CCS 44da94222c71c297c4c39e3067e08a51 [0,2,0,0,0,0|1,1,0]=4 1557 B9R0.35 CCCN(C)C(=O)COC 762ec05ebc48f693f57ef51bddec7e34 [0,2,0,0,0,0|1,0,0]=3 1558 B9R0.35 CCCN(C)C(=O)CON 496444fb7508d8e566586767e5c7fa5a [0,2,0,0,0,0|1,0,0]=3 1559 B9R0.35 CCCN(C)C(=O)CSC e3dfaf5f0c7e0f5fe72ae4765f7b6e0e [0,2,0,0,0,0|1,1,0]=4 1560 B9R0.35 CCCN(C)C(=O)NC#N 2f80c1e73d1c49b73c6492e5dab0a223 [0,2,0,0,0,0|2,0,0]=4 1561 B9R0.35 CCC[C@@H](O)C(=O)NC#N fc1b48e3d37878e20edbf51e911309b4 [0,2,0,0,0,0|2,0,0]=4 1562 B9R0.35 CCC[C@H](O)C(=O)NC#N 360f9b2e4ba3a51521ab9c08d289d644 [0,2,0,0,0,0|2,0,0]=4 1563 B9R0.35 CCNC(=O)[C@H](C)NCC 214401333582d701d8596737f61e8294 [0,2,0,0,0,0|2,0,0]=4 1564 B9R0.35 CCN[C@H](C)C(=O)OCC 6875bcc526feb7ae66bd8400bcf3b7da [0,2,0,0,0,0|1,0,0]=3 1565 B9R0.35 CCOC(=O)C(C)OCC f445527160852fc0c43d12c8fe5320cc [0,2,0,0,0,0|1,0,0]=3 1566 B9R0.35 CCOC(=O)C(C)OCF b72a5184b9f7f92b79234cb6ae816d22 [0,2,0,0,0,0|2,0,0]=4 1567 B9R0.35 CCOC(=O)[C@@H](C)NCF a34a0072dde6c8449b3b5e27f2813cc5 [0,2,0,0,0,0|2,0,0]=4 1568 B9R0.35 CCOC(=O)[C@@H](C)NCO 3ba9ba881d44f88d48cc363193979b75 [0,2,0,0,0,0|2,0,0]=4 1569 B9R0.35 CCOC(=O)[C@@H](C)OCC 631e97abb6fd65233abf22b379a869bf [0,2,0,0,0,0|1,0,0]=3 1570 B9R0.35 CCOC(=O)[C@@H](C)OCF db29af7be0cd6ce5187adc16610b9c75 [0,2,0,0,0,0|2,0,0]=4 1571 B9R0.35 CCOC(=O)[C@H](C)OCC 62fff8344bfc0cb3adfb9e62dd68064a [0,2,0,0,0,0|1,0,0]=3 1572 B9R0.35 CCOC(=O)[C@H](C)OCF 58d923bf5f6e3bf0a31b0bd24fb6ba13 [0,2,0,0,0,0|2,0,0]=4 1573 B9R0.35 CCSC(C)C(=O)NC#N 1856b282eadc816858aa6bf93164875d [0,2,0,0,0,0|2,0,0]=4 1574 B9R0.35 CN(CCF)C(=O)CCO ab6ebd69967f06b7cbfb1fa6efe4d493 [0,2,0,0,0,0|2,0,0]=4 1575 B9R0.35 CN(CCF)C(=O)CON 56350feb5d45b903d27871c9003dedc7 [0,2,0,0,0,0|2,0,0]=4 1576 B9R0.35 CN(CCO)C(=O)CCO 803eef3c81993423a839946e938fba06 [0,2,0,0,0,0|2,0,0]=4 1577 B9R0.35 CN(CCO)C(=O)CON 592d31a016728a66dee40f1dbdceae4f [0,2,0,0,0,0|2,0,0]=4 1578 B9R0.35 COCC(=O)N(C)CCF c28a5e3a370fcb77ee9921c22547f82e [0,2,0,0,0,0|2,0,0]=4 1579 B9R0.35 COCC(=O)N(C)CCO 29d155f9161609862360955786640ca3 [0,2,0,0,0,0|2,0,0]=4 1580 B9R0.60 CCNC(C)(C)C(=O)OC de68fe61a044feebd40569c7fa579e60 [0,2,0,0,0,0|1,0,0]=3 1581 B9R0.60 COC(=O)C(C)(C)NCF 0dea610a7c52f5bdd4f13839b8127c6e [0,2,0,0,0,0|2,0,0]=4 1582 B9R0.60 COC(=O)C(C)(C)NCO 5a3cecd4c261eaca342e63cedbd0f6b9 [0,2,0,0,0,0|2,0,0]=4 1583 B9R0.3 CCCNC(C)C(C)(C)O 359e83c3dbbb4da8fd25eac1a06ef3ae [0,2,0,0,0,0|1,0,1]=4 1584 B9R0.3 CCCN[C@@H](C)C(C)(C)O 6f2b05ce3e9c8eb94b3a581fee8e7c74 [0,2,0,0,0,0|1,0,1]=4 1585 B9R0.3 CCCN[C@H](C)C(C)(C)O 65cd6b9244f3f424e5b7baa60b9efb7c [0,2,0,0,0,0|1,0,1]=4 1586 B9R0.3 CCCOC(C)C(C)(C)O a3f4fb93cc2f81b92573d847cf3b21c0 [0,2,0,0,0,0|1,0,1]=4 1587 B9R0.7 C=C(Br)CNC(C)C(=O)O 4b4b833b0923408e022a05775b239322 [0,2,0,0,0,0|0,0,2]=4 1588 B9R0.7 C=C(Br)CN[C@@H](C)C(=O)O c90358467ea0b56e6c191c6df9f74b1f [0,2,0,0,0,0|0,0,2]=4 1589 B9R0.7 C=C(Br)CN[C@H](C)C(=O)O d8adcc4e0215fdbc5391473a8aa71ebc [0,2,0,0,0,0|0,0,2]=4 1590 B9R0.7 C=C(C)CNC(C)C(=O)C ba902c8c453edf6ed16b9e43d5cc3444 [0,2,0,0,0,0|1,0,1]=4 1591 B9R0.7 C=C(C)CNC(C)C(=O)N 0ee70db62d5cb05efb86b225e6750084 [0,2,0,0,0,0|1,0,1]=4 1592 B9R0.7 C=C(C)CNC(C)C(=O)O 71c7739e8b991e4abf0435840a700d0a [0,2,0,0,0,0|0,0,1]=3 1593 B9R0.7 C=C(C)CNC(O)C(=O)O 94b0a208e5c50adf06a4627f23c6b8af [0,2,0,0,0,0|1,0,1]=4 1594 B9R0.7 C=C(C)CN[C@@H](C)C(=O)N 82de9d76949c88e9733dd040e2b1231c [0,2,0,0,0,0|1,0,1]=4 1595 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O e7bfbf33da3040405841b806d36ec309 [0,2,0,0,0,0|0,0,1]=3 1596 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 844c5f37e1a94a8b35172521f47a8a23 [0,2,0,0,0,0|1,0,1]=4 1597 B9R0.7 C=C(C)CN[C@H](C)C(=O)O cd53bb67574651329e24959a91da937e [0,2,0,0,0,0|0,0,1]=3 1598 B9R0.7 C=C(C)COC(C)C(=O)C a9624bc15e55dae782589a6cc8163e2f [0,2,0,0,0,0|1,0,1]=4 1599 B9R0.7 C=C(C)COC(C)C(=O)N 37ad684549bc59ea0f9760911abb3d1e [0,2,0,0,0,0|1,0,1]=4 1600 B9R0.7 C=C(C)COC(C)C(=O)O ed04993e273c116d7e5f18b49ab43ad1 [0,2,0,0,0,0|0,0,1]=3 1601 B9R0.7 C=C(C)CO[C@@H](C)C(=O)N 08fdaf758750dde7bbb69edc3c1adafe [0,2,0,0,0,0|1,0,1]=4 1602 B9R0.7 C=C(C)CO[C@@H](C)C(=O)O a50f171d31d69d7b32f91370f5a6fc24 [0,2,0,0,0,0|0,0,1]=3 1603 B9R0.7 C=C(C)CO[C@H](C)C(=O)N f7e49aad462fc678336c75951cf3abf1 [0,2,0,0,0,0|1,0,1]=4 1604 B9R0.7 C=C(C)CO[C@H](C)C(=O)O c708914884c2538adc7cf2cddac67a9b [0,2,0,0,0,0|0,0,1]=3 1605 B9R0.7 C=C(COC(C)C)C(=O)O 08af2dc39e62b65e4314b95084281cb8 [0,2,0,0,0,0|0,0,2]=4 1606 B9R0.7 C=C(Cl)CNC(C)C(=O)O 02718e80e93fe98eb1ff5478307d6c36 [0,2,0,0,0,0|0,0,2]=4 1607 B9R0.7 C=C(Cl)CN[C@@H](C)C(=O)O 37f8e6538c7ee1a3cbee956899fb12c5 [0,2,0,0,0,0|0,0,2]=4 1608 B9R0.7 C=C(Cl)CN[C@H](C)C(=O)O 42e250ec14ba01035d59dbf8319004fa [0,2,0,0,0,0|0,0,2]=4 1609 B9R0.7 C=C(Cl)COC(C)C(=O)O 26f257e38ca3714915ce59cd8bb66d72 [0,2,0,0,0,0|0,0,2]=4 1610 B9R0.7 C=C(Cl)CO[C@@H](C)C(=O)O 995e458269b8e2aae8fa9540c89458c7 [0,2,0,0,0,0|0,0,2]=4 1611 B9R0.7 C=C(Cl)CO[C@H](C)C(=O)O a0d5dabcab99774054f62d770ba3fbae [0,2,0,0,0,0|0,0,2]=4 1612 B9R0.7 C=C(F)CNC(C)C(=O)O 5561b129a7713849bedffff3fa68eced [0,2,0,0,0,0|0,0,2]=4 1613 B9R0.7 C=C(F)CN[C@@H](C)C(=O)O 0d1198cdf44620e161e507566e03c846 [0,2,0,0,0,0|0,0,2]=4 1614 B9R0.7 C=C(F)CN[C@H](C)C(=O)O 2d73552c9ce59fea30b19426f027d96b [0,2,0,0,0,0|0,0,2]=4 1615 B9R0.7 C=C(I)[C@H](C)COC(C)C adafd3def08fbf6030c2e2e40de6f55c [0,2,0,0,0,0|2,0,0]=4 1616 B9R0.7 CC(=O)C(C)COC(C)C 1df3af33bb10f4130bd5a1f178c7f9bf [0,2,0,0,0,0|1,0,0]=3 1617 B9R0.7 CC(=O)C(C)NCC(C)C 6c7b0a051632092ac486b69a0f1d681e [0,2,0,0,0,0|1,0,0]=3 1618 B9R0.7 CC(=O)C(C)NCC(C)O 356fd4969f309cd17504ab4716b94b6b [0,2,0,0,0,0|1,0,0]=3 1619 B9R0.7 CC(=O)C(C)NCC(F)F 2632f47ae89a220f94581cf4354ca760 [0,2,0,0,0,0|2,0,0]=4 1620 B9R0.7 CC(=O)C(C)NC[C@@H](C)O 4d15f3f2bfa0fb88c4597ad63dd7383a [0,2,0,0,0,0|1,0,0]=3 1621 B9R0.7 CC(=O)C(C)NC[C@H](C)O 9f16d7df284b4ed6122cd930dc772e91 [0,2,0,0,0,0|1,0,0]=3 1622 B9R0.7 CC(=O)C(C)OCC(C)C b597db97ba4a1b37c01b4596aa7d0e32 [0,2,0,0,0,0|1,0,0]=3 1623 B9R0.7 CC(=O)C(C)OCC(C)F 4b45b9d962ab1d259ccbdd28caf6e6fa [0,2,0,0,0,0|1,0,0]=3 1624 B9R0.7 CC(=O)C(C)OCC(C)S 17627540e8ffdc051ce55846de2b0596 [0,2,0,0,0,0|1,0,0]=3 1625 B9R0.7 CC(=O)C(C)OCC(F)F 01292f329a15add4759d50c8f6a9525d [0,2,0,0,0,0|2,0,0]=4 1626 B9R0.7 CC(=O)C(C)OCN(C)C 4a9ba59316231dd2931d4f58984dee40 [0,2,0,0,0,0|2,0,0]=4 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a22cb8ae531445da2a841089e0f36632 [0,2,0,0,0,0|2,0,0]=4 1639 B9R0.7 CC(=O)N(C)CCC(F)F 73dc677f663c24b9413bb7d00cbb5fb1 [0,2,0,0,0,0|2,0,0]=4 1640 B9R0.7 CC(=O)N(C)CCN(C)C 0a555203862ba23ae43e50cdeba6d1b7 [0,2,0,0,0,0|2,0,0]=4 1641 B9R0.7 CC(C)CNC(C)C(=O)N b020f738ddfc755301327996ecd3ef34 [0,2,0,0,0,0|1,0,0]=3 1642 B9R0.7 CC(C)CNC(C)C(=O)O 95f3f70da5c52d8fcff64d575b644cc6 [0,2,0,0,0,0|0,0,0]=2 1643 B9R0.7 CC(C)CNC(C)C(C)O 48d5d29b69b968b5ec8066bff1a02714 [0,2,0,0,0,0|1,0,1]=4 1644 B9R0.7 CC(C)CNC(F)C(=O)N 0339fc1ba5c23da33be8a11e3517bd33 [0,2,0,0,0,0|2,0,0]=4 1645 B9R0.7 CC(C)CNC(F)C(=O)O 3711a9670c069b61c1c67d7849298242 [0,2,0,0,0,0|1,0,0]=3 1646 B9R0.7 CC(C)CNC(O)C(=O)O 56c2775cf664a9536ae56c2e0f8fb5b9 [0,2,0,0,0,0|1,0,0]=3 1647 B9R0.7 CC(C)CN[C@@H](C)C(=O)N 42140e145de8857ee09b4399c82aa419 [0,2,0,0,0,0|1,0,0]=3 1648 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 8a76b9132fa71c37af073ea71f14d908 [0,2,0,0,0,0|0,0,0]=2 1649 B9R0.7 CC(C)CN[C@@H](F)C(=O)O ce55718c38f59931fe6cf543c7b3ebcf [0,2,0,0,0,0|1,0,0]=3 1650 B9R0.7 CC(C)CN[C@H](C)C(=O)N 066a1edbe5493c95d2f93d2ae1adc4dc [0,2,0,0,0,0|1,0,0]=3 1651 B9R0.7 CC(C)CN[C@H](C)C(=O)O 3f45bea020626ccc8ec99438f12126a4 [0,2,0,0,0,0|0,0,0]=2 1652 B9R0.7 CC(C)COC(C)C(=O)N a1b7d9c719cf4ab29d4aaac34c154695 [0,2,0,0,0,0|1,0,0]=3 1653 B9R0.7 CC(C)COC(C)C(=O)O 9c7c1c3df2d77d8f248ac9d91af8f53d [0,2,0,0,0,0|0,0,0]=2 1654 B9R0.7 CC(C)COC(F)C(=O)N 58a672aeeaaa49bf3ad9373858067d5d [0,2,0,0,0,0|2,0,0]=4 1655 B9R0.7 CC(C)CO[C@@H](C)C(=O)N 848f1c557bc303adf7829c20e448f4c2 [0,2,0,0,0,0|1,0,0]=3 1656 B9R0.7 CC(C)CO[C@@H](C)C(=O)O fd5777f1e2b1dc60074ed75e7679298b [0,2,0,0,0,0|0,0,0]=2 1657 B9R0.7 CC(C)CO[C@H](C)C(=O)N e11f5adb143cf401b3a7137fa2dbca3e [0,2,0,0,0,0|1,0,0]=3 1658 B9R0.7 CC(C)CO[C@H](C)C(=O)O a69c599a7201e956cef10d92e6f06c1a [0,2,0,0,0,0|0,0,0]=2 1659 B9R0.7 CC(C)NCC(C)C(=O)O 48514b1b15d268c29686084b8a8d2d09 [0,2,0,0,0,0|0,0,0]=2 1660 B9R0.7 CC(C)NCC(F)C(=O)O 861691fa5d69b6285a7fb70768f89e36 [0,2,0,0,0,0|1,0,0]=3 1661 B9R0.7 CC(C)NCC(O)C(=O)O 3c07f41ba869fad28628ce0e0eb9eb4d [0,2,0,0,0,0|1,0,0]=3 1662 B9R0.7 CC(C)NC[C@@H](C)C(=O)O eeb01880b97f7b36610e05c2883a075b [0,2,0,0,0,0|0,0,0]=2 1663 B9R0.7 CC(C)NC[C@@H](O)C(=O)O eb6cf8a2e9cb3af443f150092edec970 [0,2,0,0,0,0|1,0,0]=3 1664 B9R0.7 CC(C)NC[C@H](C)C(=O)O 5780cd753c39f96a6d86de7929d8156a [0,2,0,0,0,0|0,0,0]=2 1665 B9R0.7 CC(C)NC[C@H](O)C(=O)O 84ab021a3398610ee2c835c2429ab0e4 [0,2,0,0,0,0|1,0,0]=3 1666 B9R0.7 CC(C)OCC(C)C(=O)O c21654bda41cff34c31217652ae24bef [0,2,0,0,0,0|0,0,0]=2 1667 B9R0.7 CC(C)OCC(C)[N+](=O)[O-] 370dce454080ef6510bab3f7b08245ba [0,2,0,0,0,0|1,0,1]=4 1668 B9R0.7 CC(C)OC[C@@H](C)C(=O)O 2e5187b7924c997fdbb6d21d5f5bf05b [0,2,0,0,0,0|0,0,0]=2 1669 B9R0.7 CC(C)OC[C@H](C)C(=O)O ea6a1b5296e92549506a331182057b42 [0,2,0,0,0,0|0,0,0]=2 1670 B9R0.7 CC(F)COC(C)C(=O)N 98c8a00ae14f563f0337d21036fbe5be [0,2,0,0,0,0|1,0,0]=3 1671 B9R0.7 CC(F)COC(F)C(=O)N 614d72af69f61515fb9454c1456e53bc [0,2,0,0,0,0|2,0,0]=4 1672 B9R0.7 CC(F)CO[C@@H](C)C(=O)N 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CC(O)CN[C@H](C)C(=O)O 4d91ad475557f6f0126eddf20ec91d26 [0,2,0,0,0,0|0,0,0]=2 1696 B9R0.7 CC(OCC(=O)N)C(=O)O b03fb8a7fd862f258b619b4cc7880cfb [0,2,0,0,0,0|1,0,1]=4 1697 B9R0.7 CC(OCC(=O)O)C(=O)O 703dd626490aec635a09876bfd310d6e [0,2,0,0,0,0|1,0,1]=4 1698 B9R0.7 CC(OCC(F)F)C(=O)N e1b0b404acca712a67dd78a5169a7e05 [0,2,0,0,0,0|2,0,0]=4 1699 B9R0.7 CC(OCC(F)F)C(=O)O e5edbf28279b0de930381832beee983b [0,2,0,0,0,0|1,0,0]=3 1700 B9R0.7 CC(OCN(C)C)C(=O)N f8460304f50cd15bfa371430d825e6fb [0,2,0,0,0,0|2,0,0]=4 1701 B9R0.7 CC(OCN(C)C)C(=O)O 830922da04f3fb2cfe42d9f413964017 [0,2,0,0,0,0|1,0,0]=3 1702 B9R0.7 CC(OC[C@@H](C)F)C(=O)N aa25dffa85057ef5176776ad82f0a677 [0,2,0,0,0,0|1,0,0]=3 1703 B9R0.7 CC(OC[C@H](C)F)C(=O)N f14dd6863ef2a8fca3946ee24735fd1d [0,2,0,0,0,0|1,0,0]=3 1704 B9R0.7 CC(S)COC(C)C(=O)N 09a06861be9e8ad49b4c6bdb7fe03de6 [0,2,0,0,0,0|1,0,0]=3 1705 B9R0.7 CC(S)COC(F)C(=O)N 9f518d1e1cee86b0aa01924652d21137 [0,2,0,0,0,0|2,0,0]=4 1706 B9R0.7 CC(S)CO[C@@H](C)C(=O)N a1c5c8427fce425ae0a19b1122bc7cb8 [0,2,0,0,0,0|1,0,0]=3 1707 B9R0.7 CC(S)CO[C@H](C)C(=O)N ed5ae73cd216eceac126282692a31b49 [0,2,0,0,0,0|1,0,0]=3 1708 B9R0.7 CN(C)CNC(O)C(=O)O 514e27cf974abcb81fa8750ea67f9650 [0,2,0,0,0,0|2,0,0]=4 1709 B9R0.7 C[C@@H](F)COC(F)C(=O)N 143a987405ccdf9ef63ab99e0a6ac4fe [0,2,0,0,0,0|2,0,0]=4 1710 B9R0.7 C[C@@H](F)CO[C@H](C)C(=O)N 85186707520c9bdcceaaeeb0dd6bdd98 [0,2,0,0,0,0|1,0,0]=3 1711 B9R0.7 C[C@@H](NCC(=O)N)C(=O)O f4c5292da88c22300ec1d7a42633c357 [0,2,0,0,0,0|1,0,1]=4 1712 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O 415a0334860aefb2a3620bf8fdc363b7 [0,2,0,0,0,0|1,0,1]=4 1713 B9R0.7 C[C@@H](NCC(F)F)C(=O)N 636da618f7296269fa50f596befbcb55 [0,2,0,0,0,0|2,0,0]=4 1714 B9R0.7 C[C@@H](NCC(F)F)C(=O)O b2e3e342b09fa553ce7a034846648c5f [0,2,0,0,0,0|1,0,0]=3 1715 B9R0.7 C[C@@H](NCN(C)C)C(=O)N 24542fa4f900cf957d378a7a38858e9d [0,2,0,0,0,0|2,0,0]=4 1716 B9R0.7 C[C@@H](NCN(C)C)C(=O)O b71bf2ae1b9b1319ba65f4a4616917da [0,2,0,0,0,0|1,0,0]=3 1717 B9R0.7 C[C@@H](NC[N+](=O)[O-])C(=O)O faf87dceade95b43fb0fce2617e5437f [0,2,0,0,0,0|2,0,0]=4 1718 B9R0.7 C[C@@H](O)CNC(F)C(=O)N 593851b37a3ea210c7783cb07d8d2d4f [0,2,0,0,0,0|2,0,0]=4 1719 B9R0.7 C[C@@H](O)CNC(O)C(=O)O 53522750083f40c42a75c8d1a51d10e1 [0,2,0,0,0,0|1,0,0]=3 1720 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 85ad88f174223beb7c09005bbe91d8ed [0,2,0,0,0,0|1,0,0]=3 1721 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)O 6c09363025908b429c9f6a9c87360a44 [0,2,0,0,0,0|0,0,0]=2 1722 B9R0.7 C[C@@H](OCC(=O)N)C(=O)O 86c2c5417278aae756f6aeca523ec66d [0,2,0,0,0,0|1,0,1]=4 1723 B9R0.7 C[C@@H](OCC(=O)O)C(=O)O 4a8d16a0c243ab4716ea82e35fa33547 [0,2,0,0,0,0|1,0,1]=4 1724 B9R0.7 C[C@@H](OCC(F)F)C(=O)N e1b94f086eba83c5b70b4448db08cfca [0,2,0,0,0,0|2,0,0]=4 1725 B9R0.7 C[C@@H](OCC(F)F)C(=O)O 6b29f1fb1d84cecb31689a877498506f [0,2,0,0,0,0|1,0,0]=3 1726 B9R0.7 C[C@@H](OCN(C)C)C(=O)N e5bdaef1dd42343862797ab3b606e050 [0,2,0,0,0,0|2,0,0]=4 1727 B9R0.7 C[C@@H](OCN(C)C)C(=O)O 11c670991f4825d9b999539a20aaf0a4 [0,2,0,0,0,0|1,0,0]=3 1728 B9R0.7 C[C@H](F)COC(F)C(=O)N 21aa3b8be7d08c844234a8e13c1a3ff8 [0,2,0,0,0,0|2,0,0]=4 1729 B9R0.7 C[C@H](F)CO[C@@H](C)C(=O)N 1d1e26f31b0ede8a1a4173619d58d1a9 [0,2,0,0,0,0|1,0,0]=3 1730 B9R0.7 C[C@H](F)CO[C@H](C)C(=O)N 4978980db04779f6f9d07f2c78a33b9e [0,2,0,0,0,0|1,0,0]=3 1731 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 60afe78c4eedef790de6ca6532beb156 [0,2,0,0,0,0|1,0,1]=4 1732 B9R0.7 C[C@H](NCC(=O)O)C(=O)O f9625cec5eb0d5af5124541dcd344e57 [0,2,0,0,0,0|1,0,1]=4 1733 B9R0.7 C[C@H](NCC(F)F)C(=O)N 97304b5aa9d219f140167554fffbe9d4 [0,2,0,0,0,0|2,0,0]=4 1734 B9R0.7 C[C@H](NCC(F)F)C(=O)O 251d020a984c1cb72d88d234a8a17a99 [0,2,0,0,0,0|1,0,0]=3 1735 B9R0.7 C[C@H](NCN(C)C)C(=O)N f7d7611584e1f59276fc40186a8eeb84 [0,2,0,0,0,0|2,0,0]=4 1736 B9R0.7 C[C@H](NCN(C)C)C(=O)O 890cc561e2705dfd45b43ad18d204e90 [0,2,0,0,0,0|1,0,0]=3 1737 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)N 9186b0bf879390b7e6b1216544f3941d [0,2,0,0,0,0|1,0,0]=3 1738 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O e4a79b78aaf76db8d949999ecfcb00bc [0,2,0,0,0,0|0,0,0]=2 1739 B9R0.7 C[C@H](NC[N+](=O)[O-])C(=O)O 0192ca9ea8752d43981f02bd779e8978 [0,2,0,0,0,0|2,0,0]=4 1740 B9R0.7 C[C@H](O)CNC(F)C(=O)N f51b654f9028e5bb7d95c497de0982c6 [0,2,0,0,0,0|2,0,0]=4 1741 B9R0.7 C[C@H](O)CNC(O)C(=O)O 2718c7b8bbc967e12d5b2f298426a47e [0,2,0,0,0,0|1,0,0]=3 1742 B9R0.7 C[C@H](O)CN[C@@H](C)C(=O)N 522623e7e0ef55aac4b5cf57f54b5583 [0,2,0,0,0,0|1,0,0]=3 1743 B9R0.7 C[C@H](O)CN[C@@H](C)C(=O)O 6a6c67ca6662759fc2db97e0c2faf3d9 [0,2,0,0,0,0|0,0,0]=2 1744 B9R0.7 C[C@H](O)CN[C@H](C)C(=O)N 90fad3e449890eb1c9ace917dfcc4c86 [0,2,0,0,0,0|1,0,0]=3 1745 B9R0.7 C[C@H](O)CN[C@H](C)C(=O)O 43b98191e964d18ae40cd9f3d82f80ac [0,2,0,0,0,0|0,0,0]=2 1746 B9R0.7 C[C@H](OCC(=O)N)C(=O)O 85d8e2a0406c89a85ba163325cddb16a [0,2,0,0,0,0|1,0,1]=4 1747 B9R0.7 C[C@H](OCC(=O)O)C(=O)O fee1967c0e07a40963d81dc0d0074185 [0,2,0,0,0,0|1,0,1]=4 1748 B9R0.7 C[C@H](OCC(F)F)C(=O)N 5bfe66972ea1883ec47c028d53a2227b [0,2,0,0,0,0|2,0,0]=4 1749 B9R0.7 C[C@H](OCC(F)F)C(=O)O 9fe44fc5de2fc8e2e139e64adb563814 [0,2,0,0,0,0|1,0,0]=3 1750 B9R0.7 C[C@H](OCN(C)C)C(=O)N 507e95f7ca3bdfa73a55acf92016088b [0,2,0,0,0,0|2,0,0]=4 1751 B9R0.7 C[C@H](OCN(C)C)C(=O)O 9b0ce417c0ddb18430edfd9d891dd393 [0,2,0,0,0,0|1,0,0]=3 1752 B9R0.7 C[C@H](OC[C@@H](C)F)C(=O)N 8ec6553325b7f67e8d559bbcc89e4eac [0,2,0,0,0,0|1,0,0]=3 1753 B9R0.7 O=C(O)C(O)NCC(F)F 8aaf22bb2a60dc1efd0ad1eda063e065 [0,2,0,0,0,0|2,0,0]=4 1754 B9R0.13 C#CC(OCCC)C(=O)O dd15e5c0f35b2a3183ad7ea7f1abbd0f [0,2,0,0,0,0|0,0,1]=3 1755 B9R0.13 C#CC(OCCF)C(=O)O f84050bdafe0fa3c5267d49c74d8fc40 [0,2,0,0,0,0|1,0,1]=4 1756 B9R0.13 C#CC(OCCS)C(=O)O 9158ed7f98f696de8788484a9217c2b7 [0,2,0,0,0,0|1,0,1]=4 1757 B9R0.13 C#CC(OCOC)C(=O)O b51a68b0f2ba429ffbc7c625fd3a4334 [0,2,0,0,0,0|1,0,1]=4 1758 B9R0.13 C#CC(OCSC)C(=O)O 01344e113df06301e50e38b0d289844d [0,2,0,0,0,0|1,0,1]=4 1759 B9R0.13 C#CCNC(CC)C(=O)O 4464d11a0d2df25da2b429b81c350a01 [0,2,0,0,0,0|0,0,2]=4 1760 B9R0.13 C#CCNC(CCl)C(=O)O 12181ad5c67fd6d42429d2c2d454cbe9 [0,2,0,0,0,0|0,0,2]=4 1761 B9R0.13 C#CCNC(CF)C(=O)O 9b8f6a3432905bcddbfcd4ff17a971bf [0,2,0,0,0,0|0,0,2]=4 1762 B9R0.13 C#CCNC(CO)C(=O)O ff87d7488f1c24e3d86266ad51aa4090 [0,2,0,0,0,0|0,0,2]=4 1763 B9R0.13 C#CCNC(CS)C(=O)O 4dcace9b1465b6d266ca671c1776eff3 [0,2,0,0,0,0|0,0,2]=4 1764 B9R0.13 C#CCN[C@@H](CC)C(=O)O 3a91883e326d70a06c0a02c608789032 [0,2,0,0,0,0|0,0,2]=4 1765 B9R0.13 C#CCN[C@@H](CCl)C(=O)O 4fc5ddedf44c84aa5c57aa90190e951c [0,2,0,0,0,0|0,0,2]=4 1766 B9R0.13 C#CCN[C@@H](CO)C(=O)O 8a7a1e4486fbc85944cc2ce864047935 [0,2,0,0,0,0|0,0,2]=4 1767 B9R0.13 C#CCN[C@@H](CS)C(=O)O f1bbd7835a68b8b84e6058d4f032fbb8 [0,2,0,0,0,0|0,0,2]=4 1768 B9R0.13 C#CCN[C@H](CC)C(=O)O 0ed1e889e8b9f62105ff3482f421c816 [0,2,0,0,0,0|0,0,2]=4 1769 B9R0.13 C#CCN[C@H](CCl)C(=O)O 1e58fdc62e2372194a0baf469fc30f4b [0,2,0,0,0,0|0,0,2]=4 1770 B9R0.13 C#CCN[C@H](CO)C(=O)O 3a8d0166700cedbe1525bb8e5362ae93 [0,2,0,0,0,0|0,0,2]=4 1771 B9R0.13 C#CCN[C@H](CS)C(=O)O eb62e77482822cbce03f1784a5da89da [0,2,0,0,0,0|0,0,2]=4 1772 B9R0.13 C#CCOC(CC)C(=O)O a3f01bac70705d9fd752ea27609cfc36 [0,2,0,0,0,0|0,0,2]=4 1773 B9R0.13 C#CCOC(CF)C(=O)O 338c8fd6832470177f64f44ad547698b [0,2,0,0,0,0|0,0,2]=4 1774 B9R0.13 C#CCO[C@@H](CC)C(=O)O 5195c555473f47309885db715e2843c8 [0,2,0,0,0,0|0,0,2]=4 1775 B9R0.13 C#CCO[C@H](CC)C(=O)O 3a40c3bd56a34a665b2791a598b188e4 [0,2,0,0,0,0|0,0,2]=4 1776 B9R0.13 C#CCO[C@H](CF)C(=O)O 4525a471f7d9a55bed58d1c44bd47086 [0,2,0,0,0,0|0,0,2]=4 1777 B9R0.13 C/C=C(\OCCC)/C(=O)O 805835d2fd7a7175bc2df69132bafc8c [0,2,0,0,0,0|0,0,1]=3 1778 B9R0.13 C/C=C(\OCCF)/C(=O)O 4c391258a63af4912dc1a19cc30f3f17 [0,2,0,0,0,0|1,0,1]=4 1779 B9R0.13 C/C=C(\OCCS)/C(=O)O dc4d3470500c2b5f90dbe050d8f95d15 [0,2,0,0,0,0|1,0,1]=4 1780 B9R0.13 C/C=C(\OCOC)/C(=O)O ecdcb7748e59f7015e37a61c03c6e3e7 [0,2,0,0,0,0|1,0,1]=4 1781 B9R0.13 C/C=C(\OCSC)/C(=O)O 9c894bfd9598c733e4f3bb22ad8e947c [0,2,0,0,0,0|1,0,1]=4 1782 B9R0.13 C=CC(NCCC)C(=O)O a2cd77405add7f9bda10928ee4ee78ab [0,2,0,0,0,0|0,0,1]=3 1783 B9R0.13 C=CC(NCCF)C(=O)O 2274d5d013dbde9e7754c74741150d4b [0,2,0,0,0,0|1,0,1]=4 1784 B9R0.13 C=CC(NCCO)C(=O)O 8aa13b59b3196d2c99a7f409c2a0117a [0,2,0,0,0,0|1,0,1]=4 1785 B9R0.13 C=CC(NCCS)C(=O)O 826bd1dc7ddc11b4b881bd76293ff91d [0,2,0,0,0,0|1,0,1]=4 1786 B9R0.13 C=CC(NCOC)C(=O)O 925eb70f3b3184ff26582e650163f37b [0,2,0,0,0,0|1,0,1]=4 1787 B9R0.13 C=CC(NCSC)C(=O)O 42b13b1d6b85d5c40bef45753bd0f82d [0,2,0,0,0,0|1,0,1]=4 1788 B9R0.13 C=CCNC(CC)C(=O)O de481e2466eaff6f0a27732f6dfc352c [0,2,0,0,0,0|0,0,2]=4 1789 B9R0.13 C=CCNC(CCl)C(=O)O 51d569ab421a7c730ad7e561c39f69e0 [0,2,0,0,0,0|0,0,2]=4 1790 B9R0.13 C=CCNC(CF)C(=O)O 97345d50ac0f4b1a6a6d8829153c5052 [0,2,0,0,0,0|0,0,2]=4 1791 B9R0.13 C=CCNC(CO)C(=O)O ebd5ac6e6c53346c54b338bece00fb23 [0,2,0,0,0,0|0,0,2]=4 1792 B9R0.13 C=CCNC(CS)C(=O)O b4129a0343234a5d5329e18d3c102a77 [0,2,0,0,0,0|0,0,2]=4 1793 B9R0.13 C=CCN[C@@H](CC)C(=O)O f74085695e69590e183acfa0aa7f80ba [0,2,0,0,0,0|0,0,2]=4 1794 B9R0.13 C=CCN[C@@H](CCl)C(=O)O 9b5b719bda2bc91c4b4b7e7c9187da1d [0,2,0,0,0,0|0,0,2]=4 1795 B9R0.13 C=CCN[C@@H](CO)C(=O)O b29aca030e09865f65325baf1c255358 [0,2,0,0,0,0|0,0,2]=4 1796 B9R0.13 C=CCN[C@@H](CS)C(=O)O 36ae2e4970c8d105a6d95b29eb80d440 [0,2,0,0,0,0|0,0,2]=4 1797 B9R0.13 C=CCN[C@H](CC)C(=O)O 7c854a9c251bf6bc5a5bfa1dcc576f30 [0,2,0,0,0,0|0,0,2]=4 1798 B9R0.13 C=CCN[C@H](CCl)C(=O)O 083db315671b359169888092e2d4fd21 [0,2,0,0,0,0|0,0,2]=4 1799 B9R0.13 C=CCN[C@H](CO)C(=O)O 1cf51ca28fd4c1d8fb4c1e05f8afb943 [0,2,0,0,0,0|0,0,2]=4 1800 B9R0.13 C=CCN[C@H](CS)C(=O)O edfcc72971c264a736a8fb5f40c3ca0d [0,2,0,0,0,0|0,0,2]=4 1801 B9R0.13 C=CCOC(CC)C(=O)O 12409b9eb4eba52a2e88ae57af39313b [0,2,0,0,0,0|0,0,2]=4 1802 B9R0.13 C=CCO[C@@H](CC)C(=O)O c4783edc56f8b5c2c19ad9c9b07b9c02 [0,2,0,0,0,0|0,0,2]=4 1803 B9R0.13 C=CCO[C@H](CC)C(=O)O 70a5ce7549ed58c5a9a74e77d4d2f7d4 [0,2,0,0,0,0|0,0,2]=4 1804 B9R0.13 C=CCO[C@H](CF)C(=O)O 5385b95a414979d84d7f63e5f835f858 [0,2,0,0,0,0|0,0,2]=4 1805 B9R0.13 C=C[C@H](NCCC)C(=O)O 9277832a0fa493055dd9f58c3067ce63 [0,2,0,0,0,0|0,0,1]=3 1806 B9R0.13 C=C[C@H](NCCF)C(=O)O d7cdefe6db65838182333b1049775429 [0,2,0,0,0,0|1,0,1]=4 1807 B9R0.13 C=C[C@H](NCCO)C(=O)O 9e8aff036e8322c992299cc5f158d332 [0,2,0,0,0,0|1,0,1]=4 1808 B9R0.13 C=C[C@H](NCCS)C(=O)O f0a6ea05df12ce6b900461830ee807d7 [0,2,0,0,0,0|1,0,1]=4 1809 B9R0.13 C=C[C@H](NCOC)C(=O)O 94fc09154eaa55a3d1e41fb09517ffef [0,2,0,0,0,0|1,0,1]=4 1810 B9R0.13 C=C[C@H](NCSC)C(=O)O d81e78bcd81ed207e1ffa22caf957f20 [0,2,0,0,0,0|1,0,1]=4 1811 B9R0.13 CCC(NCC#N)C(=O)O e10882a1c386e3aa6590707cf4e760bc [0,2,0,0,0,0|1,0,1]=4 1812 B9R0.13 CCC(NCC=O)C(=O)O eab17cc26ff44ad781fc369a930cc922 [0,2,0,0,0,0|1,0,1]=4 1813 B9R0.13 CCC(NCCBr)C(=O)N 9d98281ceda880e1dcaeab24f6bc75e1 [0,2,0,0,0,0|2,0,0]=4 1814 B9R0.13 CCC(NCCBr)C(=O)O 60b3a5cec1771b7f3abdb67726cb92d4 [0,2,0,0,0,0|1,0,0]=3 1815 B9R0.13 CCC(NCCF)C(=O)N 9d7980189f37d456ed15f61f4ee67347 [0,2,0,0,0,0|2,0,0]=4 1816 B9R0.13 CCC(NCCF)C(=O)O f00d042b671287c74e43c494b5cb091f [0,2,0,0,0,0|1,0,0]=3 1817 B9R0.13 CCC(NCCI)C(=O)N c0115b77b4f46b846461f6bc6a2a5ec5 [0,2,0,0,0,0|2,0,0]=4 1818 B9R0.13 CCC(NCCI)C(=O)O e2ba567d8906f9f386d4d3c7d9da02d9 [0,2,0,0,0,0|1,0,0]=3 1819 B9R0.13 CCC(NCCO)C(=O)N 2489f70578494e60c9c27d8e919c4b89 [0,2,0,0,0,0|2,0,0]=4 1820 B9R0.13 CCC(NCCO)C(=O)O 1243b32011dafc3df4fb73416c3d434f [0,2,0,0,0,0|1,0,0]=3 1821 B9R0.13 CCC(NCCS)C(=O)N 18eca7cc918b80b5ea16493698ca11a4 [0,2,0,0,0,0|2,0,0]=4 1822 B9R0.13 CCC(NCCS)C(=O)O cf45ba956b95450629f68d6bc51c2075 [0,2,0,0,0,0|1,0,0]=3 1823 B9R0.13 CCC(NCOC)C(=O)N 8f4286d06e0c4bfcd3da0489a315619c [0,2,0,0,0,0|2,0,0]=4 1824 B9R0.13 CCC(NCOC)C(=O)O 29bdf399d9540f3750b5dbde7f57f2de [0,2,0,0,0,0|1,0,0]=3 1825 B9R0.13 CCC(NCSC)C(=O)N 6d3a975d8c330495737ae1e2b78ace1f [0,2,0,0,0,0|2,0,0]=4 1826 B9R0.13 CCC(NCSC)C(=O)O d79342730ef2d3fa4148bd4194f0c1b1 [0,2,0,0,0,0|1,0,0]=3 1827 B9R0.13 CCC(OCC#N)C(=O)O c8281ede134b6034964e18377fc6d243 [0,2,0,0,0,0|1,0,1]=4 1828 B9R0.13 CCC(OCC=O)C(=O)O b84c6aa9cf2186d81f40497f56dcc686 [0,2,0,0,0,0|1,0,1]=4 1829 B9R0.13 CCC(OCCF)C(=O)N 4a5af37347955d9cc6474b77ce0c4feb [0,2,0,0,0,0|2,0,0]=4 1830 B9R0.13 CCC(OCCF)C(=O)O c00ad7906612369696071846d56d58d6 [0,2,0,0,0,0|1,0,0]=3 1831 B9R0.13 CCC(OCCS)C(=O)N eb6b012c5810bf7e1f5a030c5dccf517 [0,2,0,0,0,0|2,0,0]=4 1832 B9R0.13 CCC(OCCS)C(=O)O e3af5c4fd79a95335149ab48b00e4e02 [0,2,0,0,0,0|1,0,0]=3 1833 B9R0.13 CCC(OCOC)C(=O)N 3fa5c522652bf4cc0728aac721ee9f80 [0,2,0,0,0,0|2,0,0]=4 1834 B9R0.13 CCC(OCOC)C(=O)O e6b9c845d6bb5735a4f158a19827bbda [0,2,0,0,0,0|1,0,0]=3 1835 B9R0.13 CCC(OCSC)C(=O)N 1b463fc2a4b5915ea8e737397216a65d [0,2,0,0,0,0|2,0,0]=4 1836 B9R0.13 CCC(OCSC)C(=O)O ccd4ff15a6e6eec5f462ba7c168ece60 [0,2,0,0,0,0|1,0,0]=3 1837 B9R0.13 CCCCN(CC)C(=O)C 6dcc903ab553d1d8d7c18d1a9b5cfc71 [0,2,0,0,0,0|2,0,0]=4 1838 B9R0.13 CCCNC(C#N)C(=O)N b6a8dcb80899a6172537883ce49d6668 [0,2,0,0,0,0|1,0,1]=4 1839 B9R0.13 CCCNC(CC)C(=O)N 667caeb7a94f8d9ae9b36913fbb97e0d [0,2,0,0,0,0|1,0,0]=3 1840 B9R0.13 CCCNC(CC)C(=O)O f069c353f507c75e209c8348074371d9 [0,2,0,0,0,0|0,0,0]=2 1841 B9R0.13 CCCNC(CCl)C(=O)O 83d744b2a78bac7ef1fc1246b7f75153 [0,2,0,0,0,0|0,0,0]=2 1842 B9R0.13 CCCNC(CF)C(=O)O 2674f23278ea23c1a3fd9e79cc64f417 [0,2,0,0,0,0|0,0,0]=2 1843 B9R0.13 CCCNC(CO)C(=O)N 9c2b75e44bd4651497cab3304501dc4c [0,2,0,0,0,0|1,0,0]=3 1844 B9R0.13 CCCNC(CO)C(=O)O f78fc4da322d7ff361a6dd4f22023970 [0,2,0,0,0,0|0,0,0]=2 1845 B9R0.13 CCCNC(CO)C(C)O d489fcf895fde99860c1b2f19ee6f881 [0,2,0,0,0,0|1,0,1]=4 1846 B9R0.13 CCCNC(CS)C(=O)O 7ab935d1954160e0fa48d269e73468b7 [0,2,0,0,0,0|0,0,0]=2 1847 B9R0.13 CCCN[C@@H](CC)C(=O)N bb80f4d26611993ee0bd284d09039684 [0,2,0,0,0,0|1,0,0]=3 1848 B9R0.13 CCCN[C@@H](CC)C(=O)O 4af529648ddb980425c401ff5a4b13f1 [0,2,0,0,0,0|0,0,0]=2 1849 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 0834a6fcf27e3845318fbc3dfc52345e [0,2,0,0,0,0|1,0,1]=4 1850 B9R0.13 CCCN[C@@H](CCl)C(=O)O dab0665f81f97191818ff25180caa069 [0,2,0,0,0,0|0,0,0]=2 1851 B9R0.13 CCCN[C@@H](CO)C(=O)N 6615855b472bab65ebca7f72bd3cddd9 [0,2,0,0,0,0|1,0,0]=3 1852 B9R0.13 CCCN[C@@H](CO)C(=O)O ddf3b03c8510fbc5ca4e2daff87a28f4 [0,2,0,0,0,0|0,0,0]=2 1853 B9R0.13 CCCN[C@@H](CO)[C@@H](C)O b3cc2745f1ec3d936799c982ad387149 [0,2,0,0,0,0|1,0,1]=4 1854 B9R0.13 CCCN[C@@H](CO)[C@H](C)O c1b11270682562767066fb4514bd8b42 [0,2,0,0,0,0|1,0,1]=4 1855 B9R0.13 CCCN[C@@H](CS)C(=O)O e3a74b3aff5bc12b4b6807001695fe2d [0,2,0,0,0,0|0,0,0]=2 1856 B9R0.13 CCCN[C@H](CC)C(=O)O 61d39a4878aa39f0678d7acfbc68cb8c [0,2,0,0,0,0|0,0,0]=2 1857 B9R0.13 CCCN[C@H](CC)[C@@H](C)O 9f7d767220556d24a34d0957783cd0cc [0,2,0,0,0,0|1,0,1]=4 1858 B9R0.13 CCCN[C@H](CC)[C@H](C)O 01968a52ca1e61279e0a659928fb1f77 [0,2,0,0,0,0|1,0,1]=4 1859 B9R0.13 CCCN[C@H](CCl)C(=O)O 4dc35c1012b0d0bb7903731dd1c16a51 [0,2,0,0,0,0|0,0,0]=2 1860 B9R0.13 CCCN[C@H](CO)C(=O)O 8cf55344ec2a8ea73259764a0785501b [0,2,0,0,0,0|0,0,0]=2 1861 B9R0.13 CCCN[C@H](CO)[C@@H](C)O 479076897cfb3d6a4fb1965ff73f1a25 [0,2,0,0,0,0|1,0,1]=4 1862 B9R0.13 CCCN[C@H](CO)[C@H](C)O 4547fbd6cae0cbcba2baa1eea5a89b5d [0,2,0,0,0,0|1,0,1]=4 1863 B9R0.13 CCCN[C@H](CS)C(=O)O a0487dcbe4739001e1f7043af5abb830 [0,2,0,0,0,0|0,0,0]=2 1864 B9R0.13 CCCOC(CC)C(=O)N 9fda2f7e2d6a6a11459fa617236d25bc [0,2,0,0,0,0|1,0,0]=3 1865 B9R0.13 CCCOC(CC)C(=O)O 3313398866cda9d19c5a77c88cc36eb1 [0,2,0,0,0,0|0,0,0]=2 1866 B9R0.13 CCCO[C@@H](CC)C(=O)O cc9a140b3b6be041090ec10f8ce0cd25 [0,2,0,0,0,0|0,0,0]=2 1867 B9R0.13 CCCO[C@H](CC)C(=O)O 8d217e6f2224fafe55f85fa98a7934d5 [0,2,0,0,0,0|0,0,0]=2 1868 B9R0.13 CCCO[C@H](CF)C(=O)O 29086d9c9cd694f8fc4088578e463f2a [0,2,0,0,0,0|0,0,0]=2 1869 B9R0.13 CCN(CCCO)C(=O)C e7ae570efef2e6ba7964a40dfee99a87 [0,2,0,0,0,0|2,0,0]=4 1870 B9R0.13 CCN(CCOC)C(=O)C 859fe7d575d98ccb55858cdb23984d45 [0,2,0,0,0,0|2,0,0]=4 1871 B9R0.13 CCNCC(C#N)C(=O)O ed3bc2e351117cd0351a1e7f1428a95d [0,2,0,0,0,0|0,0,1]=3 1872 B9R0.13 CCNC[C@H](CC)C(=O)O cffe2fea12875251a32367199af5f540 [0,2,0,0,0,0|0,0,0]=2 1873 B9R0.13 CCNC[C@H](CO)C(=O)O a286bd4559b6a8b5982e2ab8701c93f1 [0,2,0,0,0,0|0,0,0]=2 1874 B9R0.13 CC[C@@H](CNCF)C(=O)O 981bb3911586f255abbfb5961cfb78eb [0,2,0,0,0,0|1,0,0]=3 1875 B9R0.13 CC[C@@H](CNCO)C(=O)O 68f9ed5f73d960fd989ccce413eebff8 [0,2,0,0,0,0|1,0,0]=3 1876 B9R0.13 CC[C@@H](NCC#N)C(=O)O 3d674124ab682d35997b10b1012f6eaa [0,2,0,0,0,0|1,0,1]=4 1877 B9R0.13 CC[C@@H](NCC=O)C(=O)O 870e753934b636a93784181fc4eacdb9 [0,2,0,0,0,0|1,0,1]=4 1878 B9R0.13 CC[C@@H](NCCBr)C(=O)O bb6c187dee35d2ba390554d16dc4aa9c [0,2,0,0,0,0|1,0,0]=3 1879 B9R0.13 CC[C@@H](NCCF)C(=O)O b0e08cededed6f6c7a36fd6ec86e9e11 [0,2,0,0,0,0|1,0,0]=3 1880 B9R0.13 CC[C@@H](NCCI)C(=O)O 6c91d06ea51585e4b95ef8a66d270abe [0,2,0,0,0,0|1,0,0]=3 1881 B9R0.13 CC[C@@H](NCCO)C(=O)O e99f1fcc90431ea7ee28ab87555e864d [0,2,0,0,0,0|1,0,0]=3 1882 B9R0.13 CC[C@@H](NCCS)C(=O)O 14a5bfc0158c777ba30bd0f0cd7926c2 [0,2,0,0,0,0|1,0,0]=3 1883 B9R0.13 CC[C@@H](NCOC)C(=O)O afdab15192460f324c62f62289f5efe2 [0,2,0,0,0,0|1,0,0]=3 1884 B9R0.13 CC[C@@H](NCSC)C(=O)O 5454d4f202e581954955a2783886044d [0,2,0,0,0,0|1,0,0]=3 1885 B9R0.13 CC[C@@H](OCC#N)C(=O)O 519f96a44a3b14011d65a6b7c8c23a81 [0,2,0,0,0,0|1,0,1]=4 1886 B9R0.13 CC[C@@H](OCC=O)C(=O)O c5aa19a1147775fd73c0d33f9486ca56 [0,2,0,0,0,0|1,0,1]=4 1887 B9R0.13 CC[C@@H](OCCF)C(=O)O 4399f51e9aa45bac3aec0e2f73a04ce4 [0,2,0,0,0,0|1,0,0]=3 1888 B9R0.13 CC[C@@H](OCCS)C(=O)O 66d55e860e2b27d00267a7f39525c672 [0,2,0,0,0,0|1,0,0]=3 1889 B9R0.13 CC[C@@H](OCOC)C(=O)O eaf672c9caead4abfc19e8f6a11051c8 [0,2,0,0,0,0|1,0,0]=3 1890 B9R0.13 CC[C@@H](OCSC)C(=O)O f1b1aa50116639e72a339c9ead522291 [0,2,0,0,0,0|1,0,0]=3 1891 B9R0.13 CC[C@H](NCC#N)C(=O)O 6cc8d557b5a6f0b3fd670bb0ecab1db1 [0,2,0,0,0,0|1,0,1]=4 1892 B9R0.13 CC[C@H](NCC=O)C(=O)O 831eb7092855698fae849c3baaf3f89e [0,2,0,0,0,0|1,0,1]=4 1893 B9R0.13 CC[C@H](NCCBr)C(=O)O e8e22504c7ea9404e3c376c4c793bb5c [0,2,0,0,0,0|1,0,0]=3 1894 B9R0.13 CC[C@H](NCCF)C(=O)N 6b11b54dd459b0953fa7781edc0c8018 [0,2,0,0,0,0|2,0,0]=4 1895 B9R0.13 CC[C@H](NCCF)C(=O)O d1f8996afde19b0565d59a42f964550f [0,2,0,0,0,0|1,0,0]=3 1896 B9R0.13 CC[C@H](NCCI)C(=O)O 3a6efc8b485391f685b4ae297821e21f [0,2,0,0,0,0|1,0,0]=3 1897 B9R0.13 CC[C@H](NCCO)C(=O)N 3b8b40a08f0784848e957ed8fa1fd003 [0,2,0,0,0,0|2,0,0]=4 1898 B9R0.13 CC[C@H](NCCO)C(=O)O 1c6b8d756acf8f1db276283748fda969 [0,2,0,0,0,0|1,0,0]=3 1899 B9R0.13 CC[C@H](NCCS)C(=O)N 1fe943a78a5557e1f383d0dd293a801c [0,2,0,0,0,0|2,0,0]=4 1900 B9R0.13 CC[C@H](NCCS)C(=O)O c38a05c741bf6a8c2505ebb00a626765 [0,2,0,0,0,0|1,0,0]=3 1901 B9R0.13 CC[C@H](NCOC)C(=O)N 9ddeabc9457b2d934bae311dafef643d [0,2,0,0,0,0|2,0,0]=4 1902 B9R0.13 CC[C@H](NCOC)C(=O)O 8ff3b44341478cbcc46f6485e982ee40 [0,2,0,0,0,0|1,0,0]=3 1903 B9R0.13 CC[C@H](NCSC)C(=O)N c506a023b16717655fa19ccbb8c02389 [0,2,0,0,0,0|2,0,0]=4 1904 B9R0.13 CC[C@H](NCSC)C(=O)O 215e8fc56b12daa5ff5365fc69da45a2 [0,2,0,0,0,0|1,0,0]=3 1905 B9R0.13 CC[C@H](OCC#N)C(=O)O 405cad0b0c5e8707cb2af2a4aa352fe3 [0,2,0,0,0,0|1,0,1]=4 1906 B9R0.13 CC[C@H](OCC=O)C(=O)O 72ee9feb0307fda9a3dab1459709064b [0,2,0,0,0,0|1,0,1]=4 1907 B9R0.13 CC[C@H](OCCF)C(=O)O 516044a5d658494039eb40ae3a9e3d22 [0,2,0,0,0,0|1,0,0]=3 1908 B9R0.13 CC[C@H](OCCS)C(=O)O d0432edc92842a426feefec6e58ff53e [0,2,0,0,0,0|1,0,0]=3 1909 B9R0.13 CC[C@H](OCOC)C(=O)O 986ecf86f31a1bbe015cd3e780e6ebfd [0,2,0,0,0,0|1,0,0]=3 1910 B9R0.13 CC[C@H](OCSC)C(=O)O f2917a5a83a3472b302dcc248b0acae0 [0,2,0,0,0,0|1,0,0]=3 1911 B9R0.13 COCNC(CCl)C(=O)O bc2b7911e3ffc38a92b959db45b56fcb [0,2,0,0,0,0|1,0,0]=3 1912 B9R0.13 COCNC(CF)C(=O)O 17ec9c581488b2178360a6bce64540b8 [0,2,0,0,0,0|1,0,0]=3 1913 B9R0.13 COCNC(CO)C(=O)N 9b9fd338943fb2095ce4806ab988a606 [0,2,0,0,0,0|2,0,0]=4 1914 B9R0.13 COCNC(CO)C(=O)O 1874cc910ed4120aa974979dfc2178b5 [0,2,0,0,0,0|1,0,0]=3 1915 B9R0.13 COCNC(CS)C(=O)O 41e8540589127498359276d1b0f8c4ba [0,2,0,0,0,0|1,0,0]=3 1916 B9R0.13 COCN[C@@H](CCl)C(=O)O 93b9c2b6ee76ff370f501f28f0ac1d50 [0,2,0,0,0,0|1,0,0]=3 1917 B9R0.13 COCN[C@@H](CO)C(=O)N e87d0710ac77ff96c030cec67d1fc8f7 [0,2,0,0,0,0|2,0,0]=4 1918 B9R0.13 COCN[C@@H](CO)C(=O)O f3f941c7e24dfb49cce56dee2c18d303 [0,2,0,0,0,0|1,0,0]=3 1919 B9R0.13 COCN[C@@H](CS)C(=O)O 8da3d51ce198a49de27ff81351b0b750 [0,2,0,0,0,0|1,0,0]=3 1920 B9R0.13 COCN[C@H](CCl)C(=O)O dbb070c5669c8a55f00439f1bd0b8b35 [0,2,0,0,0,0|1,0,0]=3 1921 B9R0.13 COCN[C@H](CO)C(=O)O 0f9a5cca444ea82fb1e59bae4feb5296 [0,2,0,0,0,0|1,0,0]=3 1922 B9R0.13 COCN[C@H](CS)C(=O)O d62af15c7a5bd0b261774146bb080d2c [0,2,0,0,0,0|1,0,0]=3 1923 B9R0.13 COCOC(CF)C(=O)O 94e92cfb4c12fe57f8acc7ee6e110092 [0,2,0,0,0,0|1,0,0]=3 1924 B9R0.13 COCO[C@H](CF)C(=O)O 2f275ecca5c84160a3ea0d26836161b7 [0,2,0,0,0,0|1,0,0]=3 1925 B9R0.13 CSCNC(CCl)C(=O)O 8b432fd4d7ab94eb2fef292cec2f8574 [0,2,0,0,0,0|1,0,0]=3 1926 B9R0.13 CSCNC(CF)C(=O)O 87551dde60a2852bcfabb1f782c8f400 [0,2,0,0,0,0|1,0,0]=3 1927 B9R0.13 CSCNC(CO)C(=O)N 8c7e3d8bb02c322a83fc1226d55fa537 [0,2,0,0,0,0|2,0,0]=4 1928 B9R0.13 CSCNC(CO)C(=O)O 26eca2ee3edb87492e36d46cf8f563c3 [0,2,0,0,0,0|1,0,0]=3 1929 B9R0.13 CSCNC(CS)C(=O)O 432d322a6e29321faf1a7699f31504fc [0,2,0,0,0,0|1,0,0]=3 1930 B9R0.13 CSCN[C@@H](CCl)C(=O)O 4605fb1c2c2e1fd8b9ba8a49da9e5191 [0,2,0,0,0,0|1,0,0]=3 1931 B9R0.13 CSCN[C@@H](CO)C(=O)N e86e764ef6118b7c59776a625e9ad5a8 [0,2,0,0,0,0|2,0,0]=4 1932 B9R0.13 CSCN[C@@H](CO)C(=O)O e37d633930a82736e21ad053cf8e946e [0,2,0,0,0,0|1,0,0]=3 1933 B9R0.13 CSCN[C@@H](CS)C(=O)O 215b1839987bf53e53872012d9450e77 [0,2,0,0,0,0|1,0,0]=3 1934 B9R0.13 CSCN[C@H](CCl)C(=O)O be9e78e0fd6beb1acc74e9f9a31792b1 [0,2,0,0,0,0|1,0,0]=3 1935 B9R0.13 CSCN[C@H](CO)C(=O)O 6102b7530d697e4e2c526f3c409a0740 [0,2,0,0,0,0|1,0,0]=3 1936 B9R0.13 CSCN[C@H](CS)C(=O)O bbfe372e1340b90367d8d9611995aed6 [0,2,0,0,0,0|1,0,0]=3 1937 B9R0.13 CSCO[C@H](CF)C(=O)O 76403544799d82ad1e367aa1ebec3c9c [0,2,0,0,0,0|1,0,0]=3 1938 B9R0.13 N#CC(CNCF)C(=O)O 4f3f3645b3605c436c28e16657dd7192 [0,2,0,0,0,0|1,0,1]=4 1939 B9R0.13 N#CC(CNCO)C(=O)O 1f16e1d299e63a9e18a808f83ddc1938 [0,2,0,0,0,0|1,0,1]=4 1940 B9R0.13 N#CCNC(CCl)C(=O)O ff61cec9aeaf85afbb74977d46bfa75d [0,2,0,0,0,0|1,0,1]=4 1941 B9R0.13 N#CCNC(CF)C(=O)O bb8fe84089ae6b4a775b5012358d6bf7 [0,2,0,0,0,0|1,0,1]=4 1942 B9R0.13 N#CCNC(CO)C(=O)O 524599b6b8c983dd6b923cbb162a6949 [0,2,0,0,0,0|1,0,1]=4 1943 B9R0.13 N#CCNC(CS)C(=O)O 0de74e5a92f43e4290ab9df841c7168e [0,2,0,0,0,0|1,0,1]=4 1944 B9R0.13 N#CCN[C@@H](CCl)C(=O)O 2c160ea8b4f5fbe5878e919bc8ee095e [0,2,0,0,0,0|1,0,1]=4 1945 B9R0.13 N#CCN[C@@H](CO)C(=O)O d35d2284037f22ef0bcf2b9e44c1d8da [0,2,0,0,0,0|1,0,1]=4 1946 B9R0.13 N#CCN[C@@H](CS)C(=O)O 673b5584d379fdfc80bafc3d2c720224 [0,2,0,0,0,0|1,0,1]=4 1947 B9R0.13 N#CCN[C@H](CCl)C(=O)O 8178e1f6e2704a6f202ec742ad0a587e [0,2,0,0,0,0|1,0,1]=4 1948 B9R0.13 N#CCN[C@H](CO)C(=O)O 893ef204087a92ad72d0b3a846217c1e [0,2,0,0,0,0|1,0,1]=4 1949 B9R0.13 N#CCN[C@H](CS)C(=O)O ff7b8924b2321106ab8fa866dbbb3600 [0,2,0,0,0,0|1,0,1]=4 1950 B9R0.13 N#CCO[C@H](CF)C(=O)O 038a9047b76dbbc82aa0d5b35342889d [0,2,0,0,0,0|1,0,1]=4 1951 B9R0.13 NC(=O)C(CO)NCCF ffcbe71203fd831c2a58245f5a84bad2 [0,2,0,0,0,0|2,0,0]=4 1952 B9R0.13 NC(=O)C(CO)NCCO 357eab16944229b8afeff7658437e19c [0,2,0,0,0,0|2,0,0]=4 1953 B9R0.13 NC(=O)C(CO)NCCS 314195d6e7156a61705e9dbbc697294f [0,2,0,0,0,0|2,0,0]=4 1954 B9R0.13 NC(=O)[C@H](CO)NCCF 47379f08e678d2ad6f844124c90432bc [0,2,0,0,0,0|2,0,0]=4 1955 B9R0.13 NC(=O)[C@H](CO)NCCO cc81a1804ce2b1e23e58c4cf9ee22ce6 [0,2,0,0,0,0|2,0,0]=4 1956 B9R0.13 NC(=O)[C@H](CO)NCCS c117ed7c2cce1b0d041623e7e4af6326 [0,2,0,0,0,0|2,0,0]=4 1957 B9R0.13 O=C(O)C(CCl)NCCF 2c356734ffa57a8ab01a6197f99924a8 [0,2,0,0,0,0|1,0,0]=3 1958 B9R0.13 O=C(O)C(CCl)NCCO 89432e1e94632c718ca9304944935825 [0,2,0,0,0,0|1,0,0]=3 1959 B9R0.13 O=C(O)C(CCl)NCCS 8728dc05b732117ec73cc397bf0eea04 [0,2,0,0,0,0|1,0,0]=3 1960 B9R0.13 O=C(O)C(CF)NCCBr d2ef9044f513a02ba584c8c7c0202984 [0,2,0,0,0,0|1,0,0]=3 1961 B9R0.13 O=C(O)C(CF)NCCF e02745f04a0c3033fc1180de8def0881 [0,2,0,0,0,0|1,0,0]=3 1962 B9R0.13 O=C(O)C(CF)NCCI ce2ffae01d82a5b2c282c3f0433546cb [0,2,0,0,0,0|1,0,0]=3 1963 B9R0.13 O=C(O)C(CF)NCCO ef1748e871a96430d1bbfcaeeb0406e1 [0,2,0,0,0,0|1,0,0]=3 1964 B9R0.13 O=C(O)C(CF)NCCS 137089b9205aa24aa4d053cc0acdb432 [0,2,0,0,0,0|1,0,0]=3 1965 B9R0.13 O=C(O)C(CO)NCCBr 6abeca60a692b77b8cafe2e1d5024709 [0,2,0,0,0,0|1,0,0]=3 1966 B9R0.13 O=C(O)C(CO)NCCF 42b897e2015457b5f1a8278cc6e9f98f [0,2,0,0,0,0|1,0,0]=3 1967 B9R0.13 O=C(O)C(CO)NCCI c013faa7207d1068c214275e44ad694f [0,2,0,0,0,0|1,0,0]=3 1968 B9R0.13 O=C(O)C(CO)NCCO bfe41a164d92a5f6b0d206689c9a7fc3 [0,2,0,0,0,0|1,0,0]=3 1969 B9R0.13 O=C(O)C(CO)NCCS d8b54897a765204f458bbb487a30d60f [0,2,0,0,0,0|1,0,0]=3 1970 B9R0.13 O=C(O)C(CS)NCCF 0cc74e5ec9173c5198c65cca795a074f [0,2,0,0,0,0|1,0,0]=3 1971 B9R0.13 O=C(O)C(CS)NCCO b71131bc323b098a63fc9bcd8fee3114 [0,2,0,0,0,0|1,0,0]=3 1972 B9R0.13 O=C(O)C(CS)NCCS 7fd89674f7e9e714139863244612756e [0,2,0,0,0,0|1,0,0]=3 1973 B9R0.13 O=C(O)[C@@H](CCl)NCCF bf6c3b5146c5ba94fddf07b4e8dfc4b0 [0,2,0,0,0,0|1,0,0]=3 1974 B9R0.13 O=C(O)[C@@H](CCl)NCCO 48085f9ce948efd84392bda3bd2573c9 [0,2,0,0,0,0|1,0,0]=3 1975 B9R0.13 O=C(O)[C@@H](CCl)NCCS 83b06f2b39fdaa5d599bc42ec139eddd [0,2,0,0,0,0|1,0,0]=3 1976 B9R0.13 O=C(O)[C@@H](CF)OCCF 14b26ccffb963c47140936305b5b668e [0,2,0,0,0,0|1,0,0]=3 1977 B9R0.13 O=C(O)[C@@H](CF)OCCS 3e7c3fe0277bb5a08c4236554d2575ce [0,2,0,0,0,0|1,0,0]=3 1978 B9R0.13 O=C(O)[C@@H](CO)CNCF 3f8b47e92de8a93bfb76ae51f604bd81 [0,2,0,0,0,0|1,0,0]=3 1979 B9R0.13 O=C(O)[C@@H](CO)CNCO 6e77cb6bdff4ed28b745627da4a136b5 [0,2,0,0,0,0|1,0,0]=3 1980 B9R0.13 O=C(O)[C@@H](CO)NCCBr e4699c050f38deacbed430f05c1ea3a2 [0,2,0,0,0,0|1,0,0]=3 1981 B9R0.13 O=C(O)[C@@H](CO)NCCF 88040c617eda2b79543ae30e3e2d3412 [0,2,0,0,0,0|1,0,0]=3 1982 B9R0.13 O=C(O)[C@@H](CO)NCCI 853e5f6e4d311f764b49240c6b77fe80 [0,2,0,0,0,0|1,0,0]=3 1983 B9R0.13 O=C(O)[C@@H](CO)NCCO 670f1f2a54107e4d4bcaf78e06749564 [0,2,0,0,0,0|1,0,0]=3 1984 B9R0.13 O=C(O)[C@@H](CO)NCCS bfe9a49ff89df4bb89311e9014748431 [0,2,0,0,0,0|1,0,0]=3 1985 B9R0.13 O=C(O)[C@@H](CS)NCCF 546e80fe98f67cd7783a6a9ebc57d5e8 [0,2,0,0,0,0|1,0,0]=3 1986 B9R0.13 O=C(O)[C@@H](CS)NCCO 9a6c592976d8d96c63cb2ba59dcb7659 [0,2,0,0,0,0|1,0,0]=3 1987 B9R0.13 O=C(O)[C@@H](CS)NCCS efa76c163b3c2e732eca5b20d281a7ee [0,2,0,0,0,0|1,0,0]=3 1988 B9R0.13 O=C(O)[C@H](CCl)NCCF 79e348ea5069b9361756829012479e16 [0,2,0,0,0,0|1,0,0]=3 1989 B9R0.13 O=C(O)[C@H](CCl)NCCO 5ea34cedfe171ab9b8d182198555b88b [0,2,0,0,0,0|1,0,0]=3 1990 B9R0.13 O=C(O)[C@H](CCl)NCCS 5cb50d3894aae6d654c60b5efce01c14 [0,2,0,0,0,0|1,0,0]=3 1991 B9R0.13 O=C(O)[C@H](CO)NCCBr 393e61a19466d6012b105acb08f3cad8 [0,2,0,0,0,0|1,0,0]=3 1992 B9R0.13 O=C(O)[C@H](CO)NCCF c420e3fd7ac084e98ac03a57cb0ac3a1 [0,2,0,0,0,0|1,0,0]=3 1993 B9R0.13 O=C(O)[C@H](CO)NCCI cd1d0d14d509ac97a9123fc02de0d406 [0,2,0,0,0,0|1,0,0]=3 1994 B9R0.13 O=C(O)[C@H](CO)NCCO 9f5445a8f6084763a850ab50de0e58dd [0,2,0,0,0,0|1,0,0]=3 1995 B9R0.13 O=C(O)[C@H](CO)NCCS 20b558cef6374ce69d26012c6a99aae2 [0,2,0,0,0,0|1,0,0]=3 1996 B9R0.13 O=C(O)[C@H](CS)NCCF 4c79677bbb685854a60d74446e9f57cc [0,2,0,0,0,0|1,0,0]=3 1997 B9R0.13 O=C(O)[C@H](CS)NCCO 0fb8ac4d248688818503cf49bb7e48e3 [0,2,0,0,0,0|1,0,0]=3 1998 B9R0.13 O=C(O)[C@H](CS)NCCS 4880754d17409338cf7658a9fdd61a29 [0,2,0,0,0,0|1,0,0]=3 1999 B9R0.13 O=CCNC(CCl)C(=O)O 6e42a339f1c2dfdc3f27906b3fe81b2d [0,2,0,0,0,0|1,0,1]=4 2000 B9R0.13 O=CCNC(CF)C(=O)O df0ff32a44472360823725f00f36b0fb [0,2,0,0,0,0|1,0,1]=4 2001 B9R0.13 O=CCNC(CO)C(=O)O 644af6f02a97d576b0546439f99809f0 [0,2,0,0,0,0|1,0,1]=4 2002 B9R0.13 O=CCNC(CS)C(=O)O 62ecbbeb7c135bc7457c3433b1964097 [0,2,0,0,0,0|1,0,1]=4 2003 B9R0.13 O=CCN[C@@H](CCl)C(=O)O f71a7adf8a7371cf0e562a8fbf241a72 [0,2,0,0,0,0|1,0,1]=4 2004 B9R0.13 O=CCN[C@@H](CO)C(=O)O 443054017810622d4b3d0a3eff2db752 [0,2,0,0,0,0|1,0,1]=4 2005 B9R0.13 O=CCN[C@@H](CS)C(=O)O 611554754fe5c355d539847bda5906ae [0,2,0,0,0,0|1,0,1]=4 2006 B9R0.13 O=CCN[C@H](CCl)C(=O)O 35767ae2dc8854a5e14e28afd2338764 [0,2,0,0,0,0|1,0,1]=4 2007 B9R0.13 O=CCN[C@H](CO)C(=O)O fa3623fe702f1507fbeea9ad645b09f2 [0,2,0,0,0,0|1,0,1]=4 2008 B9R0.13 O=CCN[C@H](CS)C(=O)O 145490e7a7063ac07736f5b905dca850 [0,2,0,0,0,0|1,0,1]=4 2009 B9R0.13 O=CCO[C@H](CF)C(=O)O 785474b092ec8458896717f4fc4715d7 [0,2,0,0,0,0|1,0,1]=4 2010 B9R0.42 C#CC(C)NC(C)C(=O)C 500d8157a42feece2c6d2a494d75e403 [0,2,0,0,0,0|2,0,0]=4 2011 B9R0.42 C#CC(C)NC(C)C(=O)N 8cbb5b17c8ec0cb31f2e25efd0fa62dd [0,2,0,0,0,0|2,0,0]=4 2012 B9R0.42 C#CC(C)NC(C)C(=O)O 47412c0503f341919877078a4de3b15b [0,2,0,0,0,0|1,0,0]=3 2013 B9R0.42 C#CC(C)NC(O)C(=O)O b7acf73e8148e88a7816d02761728c70 [0,2,0,0,0,0|2,0,0]=4 2014 B9R0.42 C#CC(C)N[C@@H](C)C(=O)N 3680486d2644fabdd9c7c15bec93a3ac [0,2,0,0,0,0|2,0,0]=4 2015 B9R0.42 C#CC(C)N[C@@H](C)C(=O)O 3269fe6bbad23670c46cb1b49d0bf083 [0,2,0,0,0,0|1,0,0]=3 2016 B9R0.42 C#CC(C)N[C@H](C)C(=O)N 2514d3b30eafabd48f14887ebfbf42d6 [0,2,0,0,0,0|2,0,0]=4 2017 B9R0.42 C#CC(C)N[C@H](C)C(=O)O 2df8ca07c5b3a2e429ec6180cebd0ff1 [0,2,0,0,0,0|1,0,0]=3 2018 B9R0.42 C#CC(C)OC(C)C(=O)C d67cc68d6942fd399d80f7f873045c4f [0,2,0,0,0,0|2,0,0]=4 2019 B9R0.42 C#CC(C)OC(C)C(=O)N 8032057aa7aeffa97d0d7ef28c97a1a2 [0,2,0,0,0,0|2,0,0]=4 2020 B9R0.42 C#CC(C)O[C@@H](C)C(=O)N ef6dbceafc201e3701e64e5d80f2713b [0,2,0,0,0,0|2,0,0]=4 2021 B9R0.42 C#CC(C)O[C@H](C)C(=O)N cc9c3dc5ae0dda5c627d22ddaae022fa [0,2,0,0,0,0|2,0,0]=4 2022 B9R0.42 C#C[C@@H](C)NC(C)C(=O)C 7fe247dc4b8223b5ac2b308e96709fa0 [0,2,0,0,0,0|2,0,0]=4 2023 B9R0.42 C#C[C@@H](C)NC(C)C(=O)N 0abeb31ce4e752fb63ff815a881a0c23 [0,2,0,0,0,0|2,0,0]=4 2024 B9R0.42 C#C[C@@H](C)NC(C)C(=O)O 434172b16639df33027afc7a81c556b7 [0,2,0,0,0,0|1,0,0]=3 2025 B9R0.42 C#C[C@@H](C)N[C@@H](C)C(=O)N 93e5c1570cd05a97d0a6e9b4c0fea92b [0,2,0,0,0,0|2,0,0]=4 2026 B9R0.42 C#C[C@@H](C)N[C@@H](C)C(=O)O c56a51179a366073685e661195b7ddae [0,2,0,0,0,0|1,0,0]=3 2027 B9R0.42 C#C[C@@H](C)N[C@H](C)C(=O)N d95f746c32091fee4e8827d48b672fc3 [0,2,0,0,0,0|2,0,0]=4 2028 B9R0.42 C#C[C@@H](C)N[C@H](C)C(=O)O 67046238bd4ab30b8bb5eca429d2549b [0,2,0,0,0,0|1,0,0]=3 2029 B9R0.42 C#C[C@@H](C)OC(C)C(=O)C c6c83b7d9e01c5899dc0569ec0f529fa [0,2,0,0,0,0|2,0,0]=4 2030 B9R0.42 C#C[C@@H](C)OC(C)C(=O)N 3c01a1c49779d2c1b1f36b44e2417988 [0,2,0,0,0,0|2,0,0]=4 2031 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B9R0.47 C/C=C/CN[C@@H](C)C(=O)N c13fc8af1cc7636a7b9cee28cdfa60a4 [0,2,0,0,0,0|1,0,1]=4 2239 B9R0.47 C/C=C/CN[C@@H](C)C(=O)O 5231e64c4a03a159432e9adc2388905b [0,2,0,0,0,0|0,0,1]=3 2240 B9R0.47 C/C=C/CN[C@H](C)C(=O)N 2463a2b53f80adac3daed625fdb4fea6 [0,2,0,0,0,0|1,0,1]=4 2241 B9R0.47 C/C=C/CN[C@H](C)C(=O)O 14a0d063c94c883c6dd352b5e508e926 [0,2,0,0,0,0|0,0,1]=3 2242 B9R0.47 C/C=C/COC(C)C(=O)C 442f6ba7ccb618b44ece9e7543fb1ba1 [0,2,0,0,0,0|1,0,1]=4 2243 B9R0.47 C/C=C/COC(C)C(=O)N 7436950fdfaacd1de00ab1c70cd06dfc [0,2,0,0,0,0|1,0,1]=4 2244 B9R0.47 C/C=C/COC(C)C(=O)O 82f7f061ae93bda52c10b753eafcfd87 [0,2,0,0,0,0|0,0,1]=3 2245 B9R0.47 C/C=C/CO[C@@H](C)C(=O)N 0da06ce42bd6ffe4d79490023671d667 [0,2,0,0,0,0|1,0,1]=4 2246 B9R0.47 C/C=C/CO[C@@H](C)C(=O)O 2e5b4c3aa12c6e83da48403889a5aa01 [0,2,0,0,0,0|0,0,1]=3 2247 B9R0.47 C/C=C/CO[C@H](C)C(=O)N 405ed4e797d83f59f1b099d612247e44 [0,2,0,0,0,0|1,0,1]=4 2248 B9R0.47 C/C=C/CO[C@H](C)C(=O)O 0c38ee8b384c69e12654325f05d511a8 [0,2,0,0,0,0|0,0,1]=3 2249 B9R0.47 C/C=C\CNC(C)C(=O)N 67327b1af32b8fdd6f9b94f6088f4334 [0,2,0,0,0,0|1,0,1]=4 2250 B9R0.47 C/C=C\CNC(C)C(=O)O 6cc6e7dc976a9bf206c62be4d75f5c54 [0,2,0,0,0,0|0,0,1]=3 2251 B9R0.47 C/C=C\CNC(O)C(=O)O c843741f3db062a6d8bd8a00ce21063c [0,2,0,0,0,0|1,0,1]=4 2252 B9R0.47 C/C=C\CN[C@@H](C)C(=O)N bd999ca2d2582ac11bc3bf47c148ad6f [0,2,0,0,0,0|1,0,1]=4 2253 B9R0.47 C/C=C\CN[C@@H](C)C(=O)O 627408bf100813bc560a3ea189e5b402 [0,2,0,0,0,0|0,0,1]=3 2254 B9R0.47 C/C=C\CN[C@H](C)C(=O)N 3c8a7c74a4aa5a1a4216671b6b8ab751 [0,2,0,0,0,0|1,0,1]=4 2255 B9R0.47 C/C=C\CN[C@H](C)C(=O)O 4120306531d8303b31c02a20de66cc17 [0,2,0,0,0,0|0,0,1]=3 2256 B9R0.47 C/C=C\COC(C)C(=O)C eb57a6060cd0a32764cc48aa3240bc7e [0,2,0,0,0,0|1,0,1]=4 2257 B9R0.47 C/C=C\COC(C)C(=O)N 438124818618661f0a775856dfb26764 [0,2,0,0,0,0|1,0,1]=4 2258 B9R0.47 C/C=C\COC(C)C(=O)O 6041bc3ab5a06eb384f19d1362651c9c [0,2,0,0,0,0|0,0,1]=3 2259 B9R0.47 C/C=C\CO[C@@H](C)C(=O)N a4f43c20c58b8e3aef256f9b6b129e45 [0,2,0,0,0,0|1,0,1]=4 2260 B9R0.47 C/C=C\CO[C@@H](C)C(=O)O 1c574a56decf07d593019585e9afaa12 [0,2,0,0,0,0|0,0,1]=3 2261 B9R0.47 C/C=C\CO[C@H](C)C(=O)N e6fd1f36090dd58d28ab6a5e9c2e85fc [0,2,0,0,0,0|1,0,1]=4 2262 B9R0.47 C/C=C\CO[C@H](C)C(=O)O bbbea57a557d0d6446da76d0a42c4a63 [0,2,0,0,0,0|0,0,1]=3 2263 B9R0.47 C=C(CNCCBr)C(=O)O c2988fd0f1c2ff5b40abfbf5100d37f2 [0,2,0,0,0,0|0,0,2]=4 2264 B9R0.47 C=C(CNCCC)C(=O)O cc82fa0972a2a8db8be4ec490c803358 [0,2,0,0,0,0|0,0,2]=4 2265 B9R0.47 C=C(CNCCF)C(=O)O 791053d442571eec44ea42a595c51f93 [0,2,0,0,0,0|0,0,2]=4 2266 B9R0.47 C=C(CNCCI)C(=O)O 1550abda08210dcfc820980fc4556b50 [0,2,0,0,0,0|0,0,2]=4 2267 B9R0.47 C=C(CNCCO)C(=O)O 927d3c374dca002677ce011f1f1589f4 [0,2,0,0,0,0|0,0,2]=4 2268 B9R0.47 C=C(CNCCS)C(=O)O 7b229baff524caf3fcc37a51ebbcbfe5 [0,2,0,0,0,0|0,0,2]=4 2269 B9R0.47 C=C(COCCC)C(=O)O 6349e1fecc0027622ab4063869db7ad1 [0,2,0,0,0,0|0,0,2]=4 2270 B9R0.47 C=C(COCCF)C(=O)O 8e5f19ef7ea198153a766caad601e6d3 [0,2,0,0,0,0|0,0,2]=4 2271 B9R0.47 C=C(COCCS)C(=O)O d26062daf53a0693123b55ae449b4416 [0,2,0,0,0,0|0,0,2]=4 2272 B9R0.47 C=C(COCOC)C(=O)O db9a1d87974cd7afb451a971dc800c29 [0,2,0,0,0,0|0,0,2]=4 2273 B9R0.47 C=C(COCSC)C(=O)O e48cab1f5cec74e7f20a44e87bb004f7 [0,2,0,0,0,0|0,0,2]=4 2274 B9R0.47 C=C(I)[C@H](C)CNCCBr 7af7d8981e0fe52b5f718d82ee889314 [0,2,0,0,0,0|2,0,0]=4 2275 B9R0.47 C=C(I)[C@H](C)CNCCC cfce1aff3b51edb52ecbc394f78b09b0 [0,2,0,0,0,0|2,0,0]=4 2276 B9R0.47 C=C(I)[C@H](C)CNCCF 484375dfcf0202f2d0ddf41312a6b9d2 [0,2,0,0,0,0|2,0,0]=4 2277 B9R0.47 C=C(I)[C@H](C)CNCCI 12a47989fa68b560c548a3c2fd9d160c [0,2,0,0,0,0|2,0,0]=4 2278 B9R0.47 C=C(I)[C@H](C)CNCCO 6129a812b74969aae151aa41435cdf91 [0,2,0,0,0,0|2,0,0]=4 2279 B9R0.47 C=C(I)[C@H](C)CNCCS 5467f2748b1dfd74e81355414a42f4cd [0,2,0,0,0,0|2,0,0]=4 2280 B9R0.47 C=C(I)[C@H](C)COCCC 7ccc91e89ed0d92904c3b8e98bbd8d5a [0,2,0,0,0,0|2,0,0]=4 2281 B9R0.47 C=C(I)[C@H](C)COCCS f0b381fc27b36fe0277e2b43c83aa581 [0,2,0,0,0,0|2,0,0]=4 2282 B9R0.47 C=C(I)[C@H](C)COCOC 79e219b17b3cb66e0206c89a60021746 [0,2,0,0,0,0|2,0,0]=4 2283 B9R0.47 C=CCCCN(C)C(=O)C 8cdba7fc415cdcfc639a7246093b1b99 [0,2,0,0,0,0|2,0,0]=4 2284 B9R0.47 C=CCCNC(C)C(=O)C 3e4eac1536a448085cb2069f36698707 [0,2,0,0,0,0|1,0,1]=4 2285 B9R0.47 C=CCCNC(C)C(=O)N d7b0a0ce1a276a7c5c3a60bdd1529c29 [0,2,0,0,0,0|1,0,1]=4 2286 B9R0.47 C=CCCNC(C)C(=O)O 26a70bb4d2f33579271331ae009f6a81 [0,2,0,0,0,0|0,0,1]=3 2287 B9R0.47 C=CCCNC(F)C(=O)O 2589ea31654413bfd887a6ad2e117fca [0,2,0,0,0,0|1,0,1]=4 2288 B9R0.47 C=CCCNC(O)C(=O)O e3e53d3dacb790ef31edd6e49426c1e5 [0,2,0,0,0,0|1,0,1]=4 2289 B9R0.47 C=CCCN[C@@H](C)C(=O)N cd2eac92d0527fb2fbd416c00e01290e [0,2,0,0,0,0|1,0,1]=4 2290 B9R0.47 C=CCCN[C@@H](C)C(=O)O 044ba7ce2fb9fbcf7092137b59af1cf0 [0,2,0,0,0,0|0,0,1]=3 2291 B9R0.47 C=CCCN[C@@H](F)C(=O)O 96b7aed512c42a295536c0e726e00b43 [0,2,0,0,0,0|1,0,1]=4 2292 B9R0.47 C=CCCN[C@H](C)C(=O)N 83eacac6835dc7a9e3be20c3c53d4013 [0,2,0,0,0,0|1,0,1]=4 2293 B9R0.47 C=CCCN[C@H](C)C(=O)O e1f2570210ff080b19e47098f3e700d1 [0,2,0,0,0,0|0,0,1]=3 2294 B9R0.47 C=CCCOC(C)C(=O)C a6fb25b2aa243624e8ae58accfb0aacf [0,2,0,0,0,0|1,0,1]=4 2295 B9R0.47 C=CCCOC(C)C(=O)N 72e678a763965e22f6edd3b391a0926c [0,2,0,0,0,0|1,0,1]=4 2296 B9R0.47 C=CCCOC(C)C(=O)O 57cdb48a5adbb16866e6a82a9c1bb90e [0,2,0,0,0,0|0,0,1]=3 2297 B9R0.47 C=CCCO[C@@H](C)C(=O)N e458c56a276f892528e2f529788d0565 [0,2,0,0,0,0|1,0,1]=4 2298 B9R0.47 C=CCCO[C@@H](C)C(=O)O b82b39af7ffc1e7e2e0d24264d4e2374 [0,2,0,0,0,0|0,0,1]=3 2299 B9R0.47 C=CCCO[C@H](C)C(=O)N a69ee34f70c1dea06ffe7c6450630412 [0,2,0,0,0,0|1,0,1]=4 2300 B9R0.47 C=CCCO[C@H](C)C(=O)O 880f91efa72b41348d06c5dfb14bde1f [0,2,0,0,0,0|0,0,1]=3 2301 B9R0.47 C=CCNCC(C)C(=O)O 84492b534636ae050906a3c2f79aecde [0,2,0,0,0,0|0,0,1]=3 2302 B9R0.47 C=CCNCC(F)C(=O)O 8bb4b9f5796e1fb72b9c930f66d63559 [0,2,0,0,0,0|1,0,1]=4 2303 B9R0.47 C=CCNCC(O)C(=O)O 113c8c6476de3c8c39183572c17a7ff2 [0,2,0,0,0,0|1,0,1]=4 2304 B9R0.47 C=CCNC[C@@H](C)C(=O)O 96ca9646b5f126126b51aa9d04bea846 [0,2,0,0,0,0|0,0,1]=3 2305 B9R0.47 C=CCNC[C@@H](O)C(=O)O fb06ce30f20ff3d6367d039a1cc13f82 [0,2,0,0,0,0|1,0,1]=4 2306 B9R0.47 C=CCNC[C@H](C)C(=O)O 8893f7663122e8c8db2ad1594660c127 [0,2,0,0,0,0|0,0,1]=3 2307 B9R0.47 C=CCNC[C@H](O)C(=O)O b05a4975a0b75cf54afa0681ca52b2be [0,2,0,0,0,0|1,0,1]=4 2308 B9R0.47 C=CCOCC(C)C(=O)C 68b4b0c139f2d8f46d91606b130d7b4f [0,2,0,0,0,0|1,0,1]=4 2309 B9R0.47 C=CCOCC(C)C(=O)O bff45a2935ad0970b2a16430db69c0a5 [0,2,0,0,0,0|0,0,1]=3 2310 B9R0.47 C=CCOC[C@@H](C)C(=O)O 420778358ae53f0e37997308c9dff5bb [0,2,0,0,0,0|0,0,1]=3 2311 B9R0.47 C=CCOC[C@H](C)C(=O)O 95baadb47b38b50d45cb9d4e989165fc [0,2,0,0,0,0|0,0,1]=3 2312 B9R0.47 CC#CCOC(C)C(=O)C 591500881bc7c95c2ccc6362441f53b4 [0,2,0,0,0,0|1,0,1]=4 2313 B9R0.47 CC#CCOC(C)C(=O)N b89f77bf282976b94fe9e69474ded7d8 [0,2,0,0,0,0|1,0,1]=4 2314 B9R0.47 CC#CCO[C@@H](C)C(=O)N 41ee4657695b55657abbfb32b35305a1 [0,2,0,0,0,0|1,0,1]=4 2315 B9R0.47 CC#CCO[C@H](C)C(=O)N 9a4289f86c3016980cf7666239d1e469 [0,2,0,0,0,0|1,0,1]=4 2316 B9R0.47 CC(=O)C(C)COCC#N fd02f2d44f64205c72d0ef6151868ef9 [0,2,0,0,0,0|1,0,1]=4 2317 B9R0.47 CC(=O)C(C)COCC=O d54d440898f4bb5a1ba49bf3923c568b [0,2,0,0,0,0|1,0,1]=4 2318 B9R0.47 CC(=O)C(C)COCCF d9199bd35eb3a0d86d7196c7edaf28a6 [0,2,0,0,0,0|1,0,0]=3 2319 B9R0.47 CC(=O)C(C)COCCS b5792902c335fbc91a99c92c76f4a3db [0,2,0,0,0,0|1,0,0]=3 2320 B9R0.47 CC(=O)C(C)NCCC#N bc192f2c3e2abd49c65cb1d9b66fab10 [0,2,0,0,0,0|1,0,1]=4 2321 B9R0.47 CC(=O)C(C)NCCCCl eda7aa9cc1bea1a5b1053123f010acb1 [0,2,0,0,0,0|1,0,0]=3 2322 B9R0.47 CC(=O)C(C)NCCCO 4f1c0cc14cb97d06145440a0908ade4f [0,2,0,0,0,0|1,0,0]=3 2323 B9R0.47 CC(=O)C(C)NCCON 107198f40fbd3f005c703399f2190f6f [0,2,0,0,0,0|2,0,0]=4 2324 B9R0.47 CC(=O)C(C)OCCC#N abbadef77fefaa76b8565a4e745d3fb8 [0,2,0,0,0,0|1,0,1]=4 2325 B9R0.47 CC(=O)C(C)OCCC=O c4c6596677726b85cf0e89845c13c144 [0,2,0,0,0,0|1,0,1]=4 2326 B9R0.47 CC(=O)C(C)OCCCF ae1bb5f07026ca335c76712e926bea04 [0,2,0,0,0,0|1,0,0]=3 2327 B9R0.47 CC(=O)C(C)OCCCS 94b5d5985bff151041a96c5eff5a3497 [0,2,0,0,0,0|1,0,0]=3 2328 B9R0.47 CC(=O)N(C)CCCCO 0cdea0fc1398458c07cce2a7b6874e07 [0,2,0,0,0,0|2,0,0]=4 2329 B9R0.47 CC(=O)N(C)CCOCF 02535713cfd6ba7488b21d9387586260 [0,2,0,0,0,0|2,0,0]=4 2330 B9R0.47 CC(CNCC#N)C(=O)O 06beec1be4ccc5ab7b53bd210f063e32 [0,2,0,0,0,0|0,0,1]=3 2331 B9R0.47 CC(CNCC=O)C(=O)O dac1078447c82894577f75973cfad279 [0,2,0,0,0,0|0,0,1]=3 2332 B9R0.47 CC(CNCCBr)C(=O)O c7d1487fde4ea4cc6653ff5635f8ed6d [0,2,0,0,0,0|0,0,0]=2 2333 B9R0.47 CC(CNCCF)C(=O)O 4255c25247e223f121134f538e55471f [0,2,0,0,0,0|0,0,0]=2 2334 B9R0.47 CC(CNCCI)C(=O)O 92baf5147337d51bf46031c8dc51d184 [0,2,0,0,0,0|0,0,0]=2 2335 B9R0.47 CC(CNCCO)C(=O)O 1240dbd52a9116186b4b4b867d423d4f [0,2,0,0,0,0|0,0,0]=2 2336 B9R0.47 CC(CNCCS)C(=O)O 8bec92f1ed20dfa81c8b7d9a96584477 [0,2,0,0,0,0|0,0,0]=2 2337 B9R0.47 CC(COCC#N)C(=O)O bb25d367218c4bb6dd91f62f9c372809 [0,2,0,0,0,0|0,0,1]=3 2338 B9R0.47 CC(COCC=O)C(=O)O 7fbd7b6d90109bc51c632e75ba7efddb [0,2,0,0,0,0|0,0,1]=3 2339 B9R0.47 CC(COCCF)C(=O)O 01ce687756d0dd1ab9f72a0c7b92f276 [0,2,0,0,0,0|0,0,0]=2 2340 B9R0.47 CC(COCCF)[N+](=O)[O-] f5d3dedd59bf27fe464903c64b62f741 [0,2,0,0,0,0|1,0,1]=4 2341 B9R0.47 CC(COCCS)C(=O)O 7f379f5afd379c32c0e55dbfb90e0420 [0,2,0,0,0,0|0,0,0]=2 2342 B9R0.47 CC(COCCS)[N+](=O)[O-] b666de11b990b8ba09fd5b2c8842a198 [0,2,0,0,0,0|1,0,1]=4 2343 B9R0.47 CC(NC/C=C/Cl)C(=O)O dc37aa01371dbe8e5a1db520369ee8da [0,2,0,0,0,0|0,0,2]=4 2344 B9R0.47 CC(NC/C=C\Cl)C(=O)O c4b7409b9dcc092c6bf444d660ad5366 [0,2,0,0,0,0|0,0,2]=4 2345 B9R0.47 CC(NC/C=C\O)C(=O)O 209d4f1aea988fe0fe8cd27bc55e16a8 [0,2,0,0,0,0|0,0,2]=4 2346 B9R0.47 CC(NCCC#N)C(=O)N edf91cd4a5aee23abcb39980f8ff1b7e [0,2,0,0,0,0|1,0,1]=4 2347 B9R0.47 CC(NCCC#N)C(=O)O f08ac4c050cf0d949e5c076776460fd6 [0,2,0,0,0,0|0,0,1]=3 2348 B9R0.47 CC(NCCC=O)C(=O)N d359c54582ad8b1b86e63175f152882f [0,2,0,0,0,0|1,0,1]=4 2349 B9R0.47 CC(NCCC=O)C(=O)O 9032b6ae341ecc05ab9895d4e328be23 [0,2,0,0,0,0|0,0,1]=3 2350 B9R0.47 CC(NCCCCl)C(=O)N f5a98205529afc2d2b7f3e95a53b4a32 [0,2,0,0,0,0|1,0,0]=3 2351 B9R0.47 CC(NCCCCl)C(=O)O 87c1b2f8eb75c9e344e6bd77fe97f7fa [0,2,0,0,0,0|0,0,0]=2 2352 B9R0.47 CC(NCCCF)C(=O)N fec4cc2d89c16cb3b6ed1d6a581bf9fb [0,2,0,0,0,0|1,0,0]=3 2353 B9R0.47 CC(NCCCF)C(=O)O e8e044f4c6f4318f6c04584f0c35c239 [0,2,0,0,0,0|0,0,0]=2 2354 B9R0.47 CC(NCCCO)C(=O)N 5e7d07d625d4dee5ce2af32a1ba9f08c [0,2,0,0,0,0|1,0,0]=3 2355 B9R0.47 CC(NCCCO)C(=O)O 85f38683fe4195dd46b335aca2a1e7a5 [0,2,0,0,0,0|0,0,0]=2 2356 B9R0.47 CC(NCCCS)C(=O)N 09452753cc0b7d5adbc6724ec4843f57 [0,2,0,0,0,0|1,0,0]=3 2357 B9R0.47 CC(NCCCS)C(=O)O 754798345f16a24354356fb98070b0ee [0,2,0,0,0,0|0,0,0]=2 2358 B9R0.47 CC(NCCON)C(=O)N 91547290876cec8e32a2f4a633a72c5a [0,2,0,0,0,0|2,0,0]=4 2359 B9R0.47 CC(O)C(C)NCCCF 314dcf0ecf996c9e531c5fe73f5d90f8 [0,2,0,0,0,0|1,0,1]=4 2360 B9R0.47 CC(O)C(C)NCCCO cf03c63e56577ece61b49fa26702c8ff [0,2,0,0,0,0|1,0,1]=4 2361 B9R0.47 CC(O)C(C)NCCCS 9de6784e2954697c78f5ecd74dfac414 [0,2,0,0,0,0|1,0,1]=4 2362 B9R0.47 CC(OC/C=C/Cl)C(=O)O b6f6f55ce91da6e5c3da3a18735f53da [0,2,0,0,0,0|0,0,2]=4 2363 B9R0.47 CC(OC/C=C\Cl)C(=O)O 0cd64d8f2459a3fc39c7ce90344567f7 [0,2,0,0,0,0|0,0,2]=4 2364 B9R0.47 CC(OCCC#N)C(=O)N d31118cfad301a399fc1d26ca1e50316 [0,2,0,0,0,0|1,0,1]=4 2365 B9R0.47 CC(OCCC#N)C(=O)O bbd2d1951d5114c74ac432ecbefe3543 [0,2,0,0,0,0|0,0,1]=3 2366 B9R0.47 CC(OCCC=O)C(=O)N 5332efa9f0379ba279f2128ef73d42e8 [0,2,0,0,0,0|1,0,1]=4 2367 B9R0.47 CC(OCCC=O)C(=O)O fafa8fe4978583817caa63220fee9dd0 [0,2,0,0,0,0|0,0,1]=3 2368 B9R0.47 CC(OCCCF)C(=O)N 115fa6612158c3f5455938cc81967f0c [0,2,0,0,0,0|1,0,0]=3 2369 B9R0.47 CC(OCCCF)C(=O)O ddfcf78dbb1fe50f64d18343e663a33b [0,2,0,0,0,0|0,0,0]=2 2370 B9R0.47 CC(OCCCS)C(=O)N d452490b7dac2324046271c5da09bfcd [0,2,0,0,0,0|1,0,0]=3 2371 B9R0.47 CC(OCSC#N)C(=O)O 1a28f505a828a8bee3f9b4581ae1e6bc [0,2,0,0,0,0|1,0,1]=4 2372 B9R0.47 CC=CCNC(C)C(=O)C 2c5bf53b272681a88a7e3f66ee7e4a2a [0,2,0,0,0,0|1,0,1]=4 2373 B9R0.47 CC=CCNC(C)C(=O)N ea91956343081956a2c7707eab12c4ba [0,2,0,0,0,0|1,0,1]=4 2374 B9R0.47 CC=CCNC(C)C(=O)O a9cc2297cb35b1ad3fe9ee799944523a [0,2,0,0,0,0|0,0,1]=3 2375 B9R0.47 CC=CCNC(F)C(=O)O 3ecf0f914efe5924171372f807348f45 [0,2,0,0,0,0|1,0,1]=4 2376 B9R0.47 CC=CCN[C@@H](C)C(=O)N 923134c4efb1a48dd39e79bc868a4d00 [0,2,0,0,0,0|1,0,1]=4 2377 B9R0.47 CC=CCN[C@@H](C)C(=O)O 4a9509e144e13e18f69befac1ba24c23 [0,2,0,0,0,0|0,0,1]=3 2378 B9R0.47 CC=CCN[C@@H](F)C(=O)O fc19f739ebe6dac724c715ade1a6c25e [0,2,0,0,0,0|1,0,1]=4 2379 B9R0.47 CC=CCN[C@H](C)C(=O)N 93d0f1442129c178db4e29cb51253aec [0,2,0,0,0,0|1,0,1]=4 2380 B9R0.47 CC=CCN[C@H](C)C(=O)O 887a52c63b6151c564386459e4c72979 [0,2,0,0,0,0|0,0,1]=3 2381 B9R0.47 CC=CCOC(C)C(=O)C 179b5ad7798aa93cc9ad151bc7a75771 [0,2,0,0,0,0|1,0,1]=4 2382 B9R0.47 CC=CCOC(C)C(=O)N b85e921fcc0aa41d9d05a630ec83a154 [0,2,0,0,0,0|1,0,1]=4 2383 B9R0.47 CC=CCO[C@@H](C)C(=O)N feb79ee7a2f48f32f970db382fbf7e80 [0,2,0,0,0,0|1,0,1]=4 2384 B9R0.47 CC=CCO[C@H](C)C(=O)N cf9dff0b862a9adb3f7247946a645c54 [0,2,0,0,0,0|1,0,1]=4 2385 B9R0.47 CCCCCN(C)C(=O)C 2c74dcf8a8d2f2ed76b3ed946ed64f15 [0,2,0,0,0,0|2,0,0]=4 2386 B9R0.47 CCCCNC(C)C(=O)C d47055cc2a147dbd562c227dbc7db49f [0,2,0,0,0,0|1,0,0]=3 2387 B9R0.47 CCCCNC(C)C(=O)N c1d89b7252340bc9da2585b545e036ca [0,2,0,0,0,0|1,0,0]=3 2388 B9R0.47 CCCCNC(C)C(=O)O 5312a5a4ac0d505f773570b1c1dc7471 [0,2,0,0,0,0|0,0,0]=2 2389 B9R0.47 CCCCNC(C)C(C)O d27a7bb84c0da776e41862fdd9de899e [0,2,0,0,0,0|1,0,1]=4 2390 B9R0.47 CCCCNC(F)C(=O)N 3ff69ecd1c639241490ed859b671e0fc [0,2,0,0,0,0|2,0,0]=4 2391 B9R0.47 CCCCNC(O)C(=O)O 374139cd4b934cd91b6a9ec96c5a0b99 [0,2,0,0,0,0|1,0,0]=3 2392 B9R0.47 CCCCN[C@@H](C)C(=O)N 6a337a73927e9aeefb9d4f7b78d7ceaa [0,2,0,0,0,0|1,0,0]=3 2393 B9R0.47 CCCCN[C@@H](C)C(=O)O 519d28cb2ff838f7dcf305efd2de1951 [0,2,0,0,0,0|0,0,0]=2 2394 B9R0.47 CCCCN[C@H](C)C(=O)N f7a764574606da7e80ffbc0019505c38 [0,2,0,0,0,0|1,0,0]=3 2395 B9R0.47 CCCCN[C@H](C)C(=O)O cd795f2ef98308f6ebf803867211dca8 [0,2,0,0,0,0|0,0,0]=2 2396 B9R0.47 CCCCOC(C)C(=O)C 3b3363fbf77442cb469e854d17d868a5 [0,2,0,0,0,0|1,0,0]=3 2397 B9R0.47 CCCCOC(C)C(=O)N 93ffcc07fd8ca6c83cba6693932eaa12 [0,2,0,0,0,0|1,0,0]=3 2398 B9R0.47 CCCCOC(C)C(=O)O db49def1ae579c60f3b0671857091689 [0,2,0,0,0,0|0,0,0]=2 2399 B9R0.47 CCCCOC(F)C(=O)N 9f9586d0cf25ed0afb06f8dc8ddcc70c [0,2,0,0,0,0|2,0,0]=4 2400 B9R0.47 CCCCOC(F)C(=O)O 8211b720c423c5874363ee681b819aaa [0,2,0,0,0,0|1,0,0]=3 2401 B9R0.47 CCCCO[C@@H](C)C(=O)N 0aa9ebfb7acab02e489bdc74aacc1a54 [0,2,0,0,0,0|1,0,0]=3 2402 B9R0.47 CCCCO[C@@H](C)C(=O)O cd3f9b9b4a86455f190433fe9f8db5a9 [0,2,0,0,0,0|0,0,0]=2 2403 B9R0.47 CCCCO[C@@H](F)C(=O)O 000616a107be951056a3f838e90d9eca [0,2,0,0,0,0|1,0,0]=3 2404 B9R0.47 CCCCO[C@H](C)C(=O)N 896278da9cdaad47181bea917da86f53 [0,2,0,0,0,0|1,0,0]=3 2405 B9R0.47 CCCCO[C@H](C)C(=O)O e439b368527339689ee28968ccfcc65d [0,2,0,0,0,0|0,0,0]=2 2406 B9R0.47 CCCNCC(=O)C(=O)O 4e1ace0c3acec461be076667f808e14c [0,2,0,0,0,0|1,0,1]=4 2407 B9R0.47 CCCNCC(C)C(=O)O df101b2a4eccba21dd748dca20be9479 [0,2,0,0,0,0|0,0,0]=2 2408 B9R0.47 CCCNCC(F)C(=O)O c424bf5fdad9394b2863cdbd39db5b69 [0,2,0,0,0,0|1,0,0]=3 2409 B9R0.47 CCCNCC(O)C(=O)O 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C[C@@H](OC/C=C/Cl)C(=O)O aec3dcf01279f1fa7ffeb47a95450037 [0,2,0,0,0,0|0,0,2]=4 2524 B9R0.47 C[C@@H](OC/C=C\Cl)C(=O)O b9a4fe31de92996bdb5772df22604ace [0,2,0,0,0,0|0,0,2]=4 2525 B9R0.47 C[C@@H](OCCC#N)C(=O)N 4953193feab2985e9aa09e273113111d [0,2,0,0,0,0|1,0,1]=4 2526 B9R0.47 C[C@@H](OCCC#N)C(=O)O d71e3e479566761ad1fb33b1e3522bd4 [0,2,0,0,0,0|0,0,1]=3 2527 B9R0.47 C[C@@H](OCCC=O)C(=O)N c6eaad34233e4e6a272de347bd83976e [0,2,0,0,0,0|1,0,1]=4 2528 B9R0.47 C[C@@H](OCCC=O)C(=O)O 7d9692e827fc76ead2734fd35af8b1bf [0,2,0,0,0,0|0,0,1]=3 2529 B9R0.47 C[C@@H](OCCCF)C(=O)N 1040e2c14b400ce45c7c06b9f0579e56 [0,2,0,0,0,0|1,0,0]=3 2530 B9R0.47 C[C@@H](OCCCF)C(=O)O a8c18e800a5a23d1f1971078ddf7ebda [0,2,0,0,0,0|0,0,0]=2 2531 B9R0.47 C[C@@H](OCCCS)C(=O)N 2493bed2ecd6795582e1bf57f490a468 [0,2,0,0,0,0|1,0,0]=3 2532 B9R0.47 C[C@@H](OCSC#N)C(=O)O ce6199913bbeb48d31e61e5bfb5317ba [0,2,0,0,0,0|1,0,1]=4 2533 B9R0.47 C[C@H](CNCC#N)C(=O)O 397476d6bdbe73c7f3ffe981d563123c [0,2,0,0,0,0|0,0,1]=3 2534 B9R0.47 C[C@H](CNCC=O)C(=O)O 554921e31b1acc8c59730b9fdc0f5b4c [0,2,0,0,0,0|0,0,1]=3 2535 B9R0.47 C[C@H](CNCCF)C(=O)O 4340086171eb5cd6535ef3a219dc3758 [0,2,0,0,0,0|0,0,0]=2 2536 B9R0.47 C[C@H](CNCCO)C(=O)O 31b14c6f1bcc278cf7469081e7aa9229 [0,2,0,0,0,0|0,0,0]=2 2537 B9R0.47 C[C@H](CNCCS)C(=O)O 63087b39c7edb2644f0780996f2b6fd1 [0,2,0,0,0,0|0,0,0]=2 2538 B9R0.47 C[C@H](COCC#N)C(=O)O c1994446456c243145be9d3b84fd240b [0,2,0,0,0,0|0,0,1]=3 2539 B9R0.47 C[C@H](COCC=O)C(=O)O eccd5f9a3d30ec5d0288d5705997f9dc [0,2,0,0,0,0|0,0,1]=3 2540 B9R0.47 C[C@H](COCCF)C(=O)O 01b65224eebbd4f1edd7aef24e90fab9 [0,2,0,0,0,0|0,0,0]=2 2541 B9R0.47 C[C@H](COCCS)C(=O)O 11c95f2941d4973124e2e18e075d4c11 [0,2,0,0,0,0|0,0,0]=2 2542 B9R0.47 C[C@H](NC/C=C/Cl)C(=O)O 8a803385233ac5e2e846fec4f0ba5323 [0,2,0,0,0,0|0,0,2]=4 2543 B9R0.47 C[C@H](NC/C=C\Cl)C(=O)O 2f3763242e07aafa242291bc7e657d45 [0,2,0,0,0,0|0,0,2]=4 2544 B9R0.47 C[C@H](NC/C=C\O)C(=O)O ba16cf4b51dcebaf01f6546de819ba33 [0,2,0,0,0,0|0,0,2]=4 2545 B9R0.47 C[C@H](NCCC#N)C(=O)N 6dd2dc1479e9ef1f40925b47982d8cfe [0,2,0,0,0,0|1,0,1]=4 2546 B9R0.47 C[C@H](NCCC#N)C(=O)O 80396862e1211de5d4abcb4817bcab6d [0,2,0,0,0,0|0,0,1]=3 2547 B9R0.47 C[C@H](NCCC=O)C(=O)N a01df9abb02a4ad1f8b5578566737e0e [0,2,0,0,0,0|1,0,1]=4 2548 B9R0.47 C[C@H](NCCC=O)C(=O)O 65f084f1001e100255a73258e44616cc [0,2,0,0,0,0|0,0,1]=3 2549 B9R0.47 C[C@H](NCCCCl)C(=O)N 84bb8b46414ae7fe5d4fb03c56642131 [0,2,0,0,0,0|1,0,0]=3 2550 B9R0.47 C[C@H](NCCCCl)C(=O)O 87153e4a57ba8429a20364e258186ae9 [0,2,0,0,0,0|0,0,0]=2 2551 B9R0.47 C[C@H](NCCCF)C(=O)N 1158bbccb7c298a92b976114c2776f67 [0,2,0,0,0,0|1,0,0]=3 2552 B9R0.47 C[C@H](NCCCF)C(=O)O 455f51c1bc6306b88a3c27de650423be [0,2,0,0,0,0|0,0,0]=2 2553 B9R0.47 C[C@H](NCCCO)C(=O)N ab4eaaed3ec2e397e888b8dc6d6412ce [0,2,0,0,0,0|1,0,0]=3 2554 B9R0.47 C[C@H](NCCCO)C(=O)O dbe202cded99362dfc45aa71c39b7eb5 [0,2,0,0,0,0|0,0,0]=2 2555 B9R0.47 C[C@H](NCCCS)C(=O)N 1ae5df7a2611d29a2d013564696d0238 [0,2,0,0,0,0|1,0,0]=3 2556 B9R0.47 C[C@H](NCCCS)C(=O)O bd56693ec2b9ed459b50dfc13b1f4492 [0,2,0,0,0,0|0,0,0]=2 2557 B9R0.47 C[C@H](NCCON)C(=O)N 29e69246a4c50cb65b43e805e8eb7b87 [0,2,0,0,0,0|2,0,0]=4 2558 B9R0.47 C[C@H](OC/C=C/Cl)C(=O)O c9143fc89f482867e1958ba800a582eb [0,2,0,0,0,0|0,0,2]=4 2559 B9R0.47 C[C@H](OC/C=C\Cl)C(=O)O a22c1d332cc7ac4a2f28cb74faa2ac8f [0,2,0,0,0,0|0,0,2]=4 2560 B9R0.47 C[C@H](OCCC#N)C(=O)N c0637fafe4a45fb34341a8b518ac31f8 [0,2,0,0,0,0|1,0,1]=4 2561 B9R0.47 C[C@H](OCCC#N)C(=O)O b6118858b2de7f3501d8b90c7736a496 [0,2,0,0,0,0|0,0,1]=3 2562 B9R0.47 C[C@H](OCCC=O)C(=O)N 204c83ab0197ff6420b915570938b636 [0,2,0,0,0,0|1,0,1]=4 2563 B9R0.47 C[C@H](OCCC=O)C(=O)O 17a38e6749eb2ce6ebbf5c57cc327ebd [0,2,0,0,0,0|0,0,1]=3 2564 B9R0.47 C[C@H](OCCCF)C(=O)N 4fa038794a5490bedbf3ae6819d466c5 [0,2,0,0,0,0|1,0,0]=3 2565 B9R0.47 C[C@H](OCCCF)C(=O)O 025d1de81ef19c2829e9c715489ed779 [0,2,0,0,0,0|0,0,0]=2 2566 B9R0.47 C[C@H](OCCCS)C(=O)N 1e5babef798c8356e10c6643dabc8161 [0,2,0,0,0,0|1,0,0]=3 2567 B9R0.47 C[C@H](OCSC#N)C(=O)O 445f4f09310f6923508a176bc7a1ad37 [0,2,0,0,0,0|1,0,1]=4 2568 B9R0.47 N#CCCNC(O)C(=O)O 209e3bb9c44e9d9fd5aa9f2ea67dcc1f [0,2,0,0,0,0|1,0,1]=4 2569 B9R0.47 N#CCNCC(F)C(=O)O 1187888e290796fc59815bdc76400fa1 [0,2,0,0,0,0|1,0,1]=4 2570 B9R0.47 N#CCNCC(O)C(=O)O 49074b2380d5725c40285017d140b802 [0,2,0,0,0,0|1,0,1]=4 2571 B9R0.47 N#CCNC[C@@H](O)C(=O)O 9d8f928e8da4adafa40be4280c04d041 [0,2,0,0,0,0|1,0,1]=4 2572 B9R0.47 N#CCNC[C@H](O)C(=O)O 0881e5028e7d6fcfb3fcbc422f0aefb0 [0,2,0,0,0,0|1,0,1]=4 2573 B9R0.47 NC(=O)C(F)NCCCCl 0c8e54ce08e3b06e4c6f3161d390d0fb [0,2,0,0,0,0|2,0,0]=4 2574 B9R0.47 NC(=O)C(F)NCCCO c613bc210b55d58d0d1d9786d615f6b7 [0,2,0,0,0,0|2,0,0]=4 2575 B9R0.47 NC(=O)C(F)OCCCF 8243d678e6f4b360316037515117cebd [0,2,0,0,0,0|2,0,0]=4 2576 B9R0.47 NC(=O)C(F)OCCCS 97ba0031943eefb90621e91fb7779a04 [0,2,0,0,0,0|2,0,0]=4 2577 B9R0.47 O=C(O)C(=O)CNCCBr f6651853e52af775211a93fc42b73664 [0,2,0,0,0,0|1,0,1]=4 2578 B9R0.47 O=C(O)C(=O)CNCCF a5eef4c013481978b3e177e7376126bb [0,2,0,0,0,0|1,0,1]=4 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[0,2,0,0,0,0|1,0,0]=3 2591 B9R0.47 O=C(O)C(O)CNCCI 551ce46f1a6c4059d0ddf6cb67a2a002 [0,2,0,0,0,0|1,0,0]=3 2592 B9R0.47 O=C(O)C(O)CNCCO d2bf09f48377f15f821580767e3429b2 [0,2,0,0,0,0|1,0,0]=3 2593 B9R0.47 O=C(O)C(O)CNCCS 7a001e29e68c999b97b9febbdf61354a [0,2,0,0,0,0|1,0,0]=3 2594 B9R0.47 O=C(O)C(O)NCCCF d198fc87f8a140da8525b1f899a1d113 [0,2,0,0,0,0|1,0,0]=3 2595 B9R0.47 O=C(O)C(O)NCCCO 1964c40dd265d0751cbf6e9db2c18a82 [0,2,0,0,0,0|1,0,0]=3 2596 B9R0.47 O=C(O)C(O)NCCCS 280cf89800f0c0fb2f6939e643e90d8e [0,2,0,0,0,0|1,0,0]=3 2597 B9R0.47 O=C(O)[C@@H](O)CCNCF 752ab70d2be40a9c9af5bd04c1064498 [0,2,0,0,0,0|1,0,0]=3 2598 B9R0.47 O=C(O)[C@@H](O)CCNCO 6291bbc1a4f2e1ea1f5c3bc5f4667f5f [0,2,0,0,0,0|1,0,0]=3 2599 B9R0.47 O=C(O)[C@@H](O)CNCCF 1f722cb60445ae222b0c65467451da98 [0,2,0,0,0,0|1,0,0]=3 2600 B9R0.47 O=C(O)[C@@H](O)CNCCI 10f6f5e94768506bcf731ced65012583 [0,2,0,0,0,0|1,0,0]=3 2601 B9R0.47 O=C(O)[C@@H](O)CNCCO cb0c725a39540e509a82a31572e081bf [0,2,0,0,0,0|1,0,0]=3 2602 B9R0.47 O=C(O)[C@@H](O)CNCCS 3c37a51c4462b5737c9d42367d0b82fa [0,2,0,0,0,0|1,0,0]=3 2603 B9R0.47 O=C(O)[C@H](O)CNCCF ffdf19b8b8a4a72db66db50281457bde [0,2,0,0,0,0|1,0,0]=3 2604 B9R0.47 O=C(O)[C@H](O)CNCCO ffc079c1bb43161077e31f96585637b4 [0,2,0,0,0,0|1,0,0]=3 2605 B9R0.47 O=C(O)[C@H](O)CNCCS aac0d2989cac0e7da0faa02ccf107405 [0,2,0,0,0,0|1,0,0]=3 2606 B9R0.47 O=CCCNC(O)C(=O)O 4e588261d8c718aec57a1325859dcc05 [0,2,0,0,0,0|1,0,1]=4 2607 B9R0.47 O=CCNCC(F)C(=O)O 3f0bf8fcf5035a43a4afc58572288589 [0,2,0,0,0,0|1,0,1]=4 2608 B9R0.47 O=CCNCC(O)C(=O)O 6d274d8b5f82feb8a38e2005a642350d [0,2,0,0,0,0|1,0,1]=4 2609 B9R0.47 O=CCNC[C@@H](O)C(=O)O 927801bc9fed5ca554f9ee4c79b9bd46 [0,2,0,0,0,0|1,0,1]=4 2610 B9R0.47 O=CCNC[C@H](O)C(=O)O c9237b4f784ae2a0bbd471ccfc266b51 [0,2,0,0,0,0|1,0,1]=4 2611 B9R0.51 C#CCNC(C)(C)C(=O)O 4880e491c2e1aa8fd2179f40ead1fa12 [0,2,0,0,0,0|0,0,2]=4 2612 B9R0.51 C=CCNC(C)(C)C(=O)O 7c48e3ec7486216bc064908229fe4a3b [0,2,0,0,0,0|0,0,2]=4 2613 B9R0.51 CC(=O)C(C)(C)COCF 4d69be9e4aff4dfb568de94092954b86 [0,2,0,0,0,0|2,0,0]=4 2614 B9R0.51 CC(=O)C(C)(C)NCCF 0e236eb9723560ce58d3e075d9220630 [0,2,0,0,0,0|2,0,0]=4 2615 B9R0.51 CC(=O)C(C)(C)NCCO 0e9f1b45a1b122e15d3b2fd1dcfb3a8a [0,2,0,0,0,0|2,0,0]=4 2616 B9R0.51 CC(=O)C(C)(C)NCCS 341698b4512dda242cfa864c89fe9a96 [0,2,0,0,0,0|2,0,0]=4 2617 B9R0.51 CC(C)(CNC#N)C(=O)O 85a5a7b3c1c370a10786ed1f2ed7962c [0,2,0,0,0,0|1,0,1]=4 2618 B9R0.51 CC(C)(CNCF)C(=O)N bbda9defc38dda1d65f87429fdaedbdc [0,2,0,0,0,0|2,0,0]=4 2619 B9R0.51 CC(C)(CNCF)C(=O)O 945cfb6b876ecbe7f0204fb47d7a019c [0,2,0,0,0,0|1,0,0]=3 2620 B9R0.51 CC(C)(CNCO)C(=O)N eeddc76729b8d5270f03818bc1777816 [0,2,0,0,0,0|2,0,0]=4 2621 B9R0.51 CC(C)(CNCO)C(=O)O 23a22f3a4fdb7445b279c8f09970c772 [0,2,0,0,0,0|1,0,0]=3 2622 B9R0.51 CC(C)(COCF)C(=O)N bdf381a552d2a2f6ac3cc1b3b363408c [0,2,0,0,0,0|2,0,0]=4 2623 B9R0.51 CC(C)(COCF)C(=O)O 4ea2ee56aa8053e1eea8713bafcaccdf [0,2,0,0,0,0|1,0,0]=3 2624 B9R0.51 CC(C)(NCC#N)C(=O)O 2b332e4fc2f9ea404847facf4c153dbd [0,2,0,0,0,0|1,0,1]=4 2625 B9R0.51 CC(C)(NCC=O)C(=O)O debfd41cc79ef81bc1e91891f74f6047 [0,2,0,0,0,0|1,0,1]=4 2626 B9R0.51 CC(C)(NCCF)C(=O)N 7249cf887f7b0866af455b7f84d8e709 [0,2,0,0,0,0|2,0,0]=4 2627 B9R0.51 CC(C)(NCCF)C(=O)O 5c50cb971d4e2bb9647e168e4fc6a354 [0,2,0,0,0,0|1,0,0]=3 2628 B9R0.51 CC(C)(NCCO)C(=O)N 77780606564910b8b3e4a14d9e95ce59 [0,2,0,0,0,0|2,0,0]=4 2629 B9R0.51 CC(C)(NCCO)C(=O)O f3b691beaf25e72cca4f57215514408f [0,2,0,0,0,0|1,0,0]=3 2630 B9R0.51 CC(C)(NCCS)C(=O)N 4e7e2a99a0406d1764ba5a695de0914c [0,2,0,0,0,0|2,0,0]=4 2631 B9R0.51 CC(C)(NCCS)C(=O)O ded5741ca79332559e2bcaeec9e84ee6 [0,2,0,0,0,0|1,0,0]=3 2632 B9R0.51 CC(O)(CNC#N)C(=O)O 66ee11a911725a4cbe12550ad88c3229 [0,2,0,0,0,0|1,0,1]=4 2633 B9R0.51 CCCNC(C)(C)C(=O)C ca7c001ce0bc04dc4136178f7edd7d1e [0,2,0,0,0,0|1,0,0]=3 2634 B9R0.51 CCCNC(C)(C)C(=O)N 92d8a2ba5e822c4f60fc3bb4087ae5a0 [0,2,0,0,0,0|1,0,0]=3 2635 B9R0.51 CCCNC(C)(C)C(=O)O 5af6ccb529bc268255165812ab7324f1 [0,2,0,0,0,0|0,0,0]=2 2636 B9R0.51 CCCNC(C)(C)C(C)O e6298ed9c12af220b81e13b786d68c81 [0,2,0,0,0,0|1,0,1]=4 2637 B9R0.51 CCNCC(C)(C)C(=O)N df80fbe6a53b5aaa78a6afcfb3babb31 [0,2,0,0,0,0|1,0,0]=3 2638 B9R0.51 CCNCC(C)(C)C(=O)O ec9fd4af8b3d116e68bab4c15c62de3c [0,2,0,0,0,0|0,0,0]=2 2639 B9R0.51 CCNCC(C)(C)C(C)O 04d384c46410fd6b86f2902b76fb8963 [0,2,0,0,0,0|1,0,1]=4 2640 B9R0.51 CCNCC(F)(F)C(=O)O 64da67e8dea468f2a939a1316cacc786 [0,2,0,0,0,0|1,0,0]=3 2641 B9R0.51 CCOCC(C)(C)C(=O)C 70acf1879bfb83aa559f63dfe75c2ba1 [0,2,0,0,0,0|1,0,0]=3 2642 B9R0.51 CCOCC(C)(C)C(=O)N e19b048bf7aecb3bebfe5fa5a6e8459e [0,2,0,0,0,0|1,0,0]=3 2643 B9R0.51 CCOCC(C)(C)C(=O)O 582231cebb5c80114745be067d5573aa [0,2,0,0,0,0|0,0,0]=2 2644 B9R0.51 CCOCC(C)(C)[N+](=O)[O-] f878b9c7f73cc64bd85931e52a9c16fb [0,2,0,0,0,0|1,0,1]=4 2645 B9R0.51 COCNC(C)(C)C(=O)C 5452afd7d70ff98bb7512ef4ad8a1e1a [0,2,0,0,0,0|2,0,0]=4 2646 B9R0.51 COCNC(C)(C)C(=O)N 7d21f3f25312b429fa60a9d28ea9b1cf [0,2,0,0,0,0|2,0,0]=4 2647 B9R0.51 COCNC(C)(C)C(=O)O bffdcd9b4e3f205ec7e6c81839334980 [0,2,0,0,0,0|1,0,0]=3 2648 B9R0.51 CSCNC(C)(C)C(=O)C 8e990eb4b112084dc6f4a12849d937a7 [0,2,0,0,0,0|2,0,0]=4 2649 B9R0.51 CSCNC(C)(C)C(=O)N 51dc488f2967e4ad6e82db838e2e4695 [0,2,0,0,0,0|2,0,0]=4 2650 B9R0.51 CSCNC(C)(C)C(=O)O 7f6c76c68e77ead055e537b3ec9fcb93 [0,2,0,0,0,0|1,0,0]=3 2651 B9R0.51 C[C@@](O)(CNC#N)C(=O)O f880919929825bce631472f6dfd544b3 [0,2,0,0,0,0|1,0,1]=4 2652 B9R0.51 C[C@](O)(CNC#N)C(=O)O 036038628c17500255700f90dc8d7ba2 [0,2,0,0,0,0|1,0,1]=4 2653 B9R0.51 O=C(O)C(F)(F)CNCF a9dee19cc38c154bae0723818363cfeb [0,2,0,0,0,0|2,0,0]=4 2654 B9R0.51 O=C(O)C(F)(F)CNCO 09f2d497fe1e3b927ca774868cc95ad4 [0,2,0,0,0,0|2,0,0]=4 2655 B9R0.11 CC(=O)C(C)(C)NC(C)C db4af7c3257d0e25932ab6ce75a09d1a [0,2,0,0,0,0|2,0,0]=4 2656 B9R0.11 CC(C)NC(C)(C)C(=O)N c3ee98a68409f606b30255ab46b44884 [0,2,0,0,0,0|2,0,0]=4 2657 B9R0.11 CC(C)NC(C)(C)C(=O)O b6f14c368a38dd46f79213d90692b45e [0,2,0,0,0,0|1,0,0]=3 2658 B9R0.74 CC(CO)(NCF)C(=O)O dda8935daa8a0c7b92c19cfcaff0e628 [0,2,0,0,0,0|2,0,0]=4 2659 B9R0.74 CC(CO)(NCO)C(=O)O 8a85f709496a63b14698626b8a0b15b1 [0,2,0,0,0,0|2,0,0]=4 2660 B9R0.74 CCC(C)(NCF)C(=O)O 56148a0a68bd3830e8542d4882cf4f7c [0,2,0,0,0,0|2,0,0]=4 2661 B9R0.74 CCC(C)(NCO)C(=O)O 67a684fa7655fd3b4552dc54fa339345 [0,2,0,0,0,0|2,0,0]=4 2662 B9R0.74 CCNC(C)(CC)C(=O)N 20f7f01724338c8f2f6d15cd240c4501 [0,2,0,0,0,0|2,0,0]=4 2663 B9R0.74 CCNC(C)(CC)C(=O)O 013cc22d2ebe5789c221161e26ffea21 [0,2,0,0,0,0|1,0,0]=3 2664 B9R0.74 CCNC(C)(CO)C(=O)O 57d3e8a51368d3c37a9a4181d7227aca [0,2,0,0,0,0|1,0,0]=3 2665 B9R0.74 CCN[C@@](C)(CC)C(=O)O 54806aa5c573469b3be93da1d1e62906 [0,2,0,0,0,0|1,0,0]=3 2666 B9R0.74 CCN[C@@](C)(CO)C(=O)O f304448499e07cb9686ec77cd61b9831 [0,2,0,0,0,0|1,0,0]=3 2667 B9R0.74 CCN[C@](C)(CC)C(=O)O 7ce9c5bba28329e17839c5c18647d1b9 [0,2,0,0,0,0|1,0,0]=3 2668 B9R0.74 CCN[C@](C)(CO)C(=O)O ab31d13e415bb78138afc20d034b3169 [0,2,0,0,0,0|1,0,0]=3 2669 B9R0.74 CC[C@@](C)(NCF)C(=O)O 90ce03b49df209132193ab2becd12a71 [0,2,0,0,0,0|2,0,0]=4 2670 B9R0.74 CC[C@@](C)(NCO)C(=O)O 70da7cb3e59f382bc8b17e2731e44fe8 [0,2,0,0,0,0|2,0,0]=4 2671 B9R0.74 CC[C@](C)(NCF)C(=O)O 87fe7c49dd192bc3285700eab38eead2 [0,2,0,0,0,0|2,0,0]=4 2672 B9R0.74 CC[C@](C)(NCO)C(=O)O 024772638d8c037777552487d0e83496 [0,2,0,0,0,0|2,0,0]=4 2673 B9R0.74 C[C@@](CO)(NCF)C(=O)O 246acaa9ce4380c012922667b82a7fed [0,2,0,0,0,0|2,0,0]=4 2674 B9R0.74 C[C@@](CO)(NCO)C(=O)O 036d4b8691da15e1836d37b1c0f8ee76 [0,2,0,0,0,0|2,0,0]=4 2675 B9R0.74 C[C@](CO)(NCF)C(=O)O 6affb5b37579116246cccc1d48d66303 [0,2,0,0,0,0|2,0,0]=4 2676 B9R0.74 C[C@](CO)(NCO)C(=O)O 7e56748e8ca748d5082ea92c28d6256c [0,2,0,0,0,0|2,0,0]=4 2677 B9R0.15 C#CCC(NCC)C(=O)O 9155ea460438ba562f7591c5a2271356 [0,2,0,0,0,0|1,0,0]=3 2678 B9R0.15 C#CCC(NCF)C(=O)O ab06c61c54c5ef675437ece34d0c0ff0 [0,2,0,0,0,0|0,0,2]=4 2679 B9R0.15 C#CCC(NCO)C(=O)O 4c15c997bea6132c573f63a380525a8e [0,2,0,0,0,0|0,0,2]=4 2680 B9R0.15 C#CCC(OCC)C(=O)O 09eb56ccdc584ff4f898e0172b2d2f73 [0,2,0,0,0,0|1,0,0]=3 2681 B9R0.15 C#CCC(OCF)C(=O)O a6ce083d49bcc00053d617f98d029f07 [0,2,0,0,0,0|0,0,2]=4 2682 B9R0.15 C#CC[C@@H](NCC)C(=O)O 5cdd9a46c5f6ce07a0c5b3e4925b3a6a [0,2,0,0,0,0|1,0,0]=3 2683 B9R0.15 C#CC[C@@H](NCF)C(=O)O 049c367872aaff00689cd79881cb64ee [0,2,0,0,0,0|0,0,2]=4 2684 B9R0.15 C#CC[C@@H](NCO)C(=O)O 8fc9991b27938ecb3cefe546edd2ac15 [0,2,0,0,0,0|0,0,2]=4 2685 B9R0.15 C#CC[C@H](NCC)C(=O)O 2091e5e52fa728f14e564da788d5ce56 [0,2,0,0,0,0|1,0,0]=3 2686 B9R0.15 C#CC[C@H](NCF)C(=O)O 3f4b4d7c492931cfce73195cc5a2be53 [0,2,0,0,0,0|0,0,2]=4 2687 B9R0.15 C#CC[C@H](NCO)C(=O)O 91880b1c29d3ab227bf7c123b41d3c09 [0,2,0,0,0,0|0,0,2]=4 2688 B9R0.15 C=CCC(NCC)C(=O)O b3f29113389d44df1a0d4b3e259a33e1 [0,2,0,0,0,0|1,0,0]=3 2689 B9R0.15 C=CCC(NCF)C(=O)O 9c762411c406f0649a2af9ed6ad3b7e4 [0,2,0,0,0,0|0,0,2]=4 2690 B9R0.15 C=CCC(NCO)C(=O)O c5c07a0f2b9384b490bca7d6ad62dc43 [0,2,0,0,0,0|0,0,2]=4 2691 B9R0.15 C=CCN(CCC)C(=O)C 19aa46c6abe99516c2ace8db6d01dd0f [0,2,0,0,0,0|2,0,0]=4 2692 B9R0.15 C=CC[C@@H](NCC)C(=O)O db67da19936564e8c3e872be215c4741 [0,2,0,0,0,0|1,0,0]=3 2693 B9R0.15 C=CC[C@@H](NCF)C(=O)O 5aaf1e51ccc3809be7ec51e714da06d2 [0,2,0,0,0,0|0,0,2]=4 2694 B9R0.15 C=CC[C@@H](NCO)C(=O)O 138df747728f8cb2ddbb5e2f6f62f491 [0,2,0,0,0,0|0,0,2]=4 2695 B9R0.15 C=CC[C@H](NCC)C(=O)O 9f28a86892ba5c9cc533cac10afcbd1e [0,2,0,0,0,0|1,0,0]=3 2696 B9R0.15 C=CC[C@H](NCF)C(=O)O 573b29f4571271030cee7b9642692c53 [0,2,0,0,0,0|0,0,2]=4 2697 B9R0.15 C=CC[C@H](NCO)C(=O)O b28ebb1854ff64f7c00bc852fe26136f [0,2,0,0,0,0|0,0,2]=4 2698 B9R0.15 CCCC(NC#N)C(=O)C 14f721b3275fc6bcaf2be775639f842a [0,2,0,0,0,0|1,0,1]=4 2699 B9R0.15 CCCC(NCC)C(=O)O f2e2b8b008631e59d77116738a0c0fba [0,2,0,0,0,0|0,0,0]=2 2700 B9R0.15 CCCC(NCF)C(=O)O a761550a691b0d2033ed5a224ec0bf93 [0,2,0,0,0,0|0,0,0]=2 2701 B9R0.15 CCCC(NCO)C(=O)O d20f04e5bd0411927d8cb8b68730e158 [0,2,0,0,0,0|0,0,0]=2 2702 B9R0.15 CCCC(OCC)C(=O)N 5e17f02760d6fc55f241c2f1ab74a4ca [0,2,0,0,0,0|1,0,0]=3 2703 B9R0.15 CCCC(OCC)C(=O)O 557cdda2d42ce9925ebe94072fd2dc3e [0,2,0,0,0,0|0,0,0]=2 2704 B9R0.15 CCCC(OCF)C(=O)N 3044fe5bd459d6c16712d5aff65f04dc [0,2,0,0,0,0|1,0,0]=3 2705 B9R0.15 CCCC(OCF)C(=O)O 98eb419f114c26a949b06da0310a79b4 [0,2,0,0,0,0|0,0,0]=2 2706 B9R0.15 CCCN(CCC)C(=O)C 4894ad04f3025c39998a5aff0ae390d1 [0,2,0,0,0,0|2,0,0]=4 2707 B9R0.15 CCCN(CCO)C(=O)C 3d899f67019074a1f14df709c3376de1 [0,2,0,0,0,0|2,0,0]=4 2708 B9R0.15 CCC[C@@H](NCC)C(=O)O bcd7e5b46a98d62b8fefec1947a32cbd [0,2,0,0,0,0|0,0,0]=2 2709 B9R0.15 CCC[C@@H](NCF)C(=O)O f5fb889117053045db622dad0989ea2c [0,2,0,0,0,0|0,0,0]=2 2710 B9R0.15 CCC[C@@H](NCO)C(=O)O 44b56cdf8203a72630acb27eae0a7586 [0,2,0,0,0,0|0,0,0]=2 2711 B9R0.15 CCC[C@@H](OCC)C(=O)O e0fb7807d37784e305105182208c5882 [0,2,0,0,0,0|0,0,0]=2 2712 B9R0.15 CCC[C@@H](OCF)C(=O)O 0fddc8f62605675026660f16b0f6c451 [0,2,0,0,0,0|0,0,0]=2 2713 B9R0.15 CCC[C@H](NCC)C(=O)O 08b9411a50dce8c79cf1fe750267cab5 [0,2,0,0,0,0|0,0,0]=2 2714 B9R0.15 CCC[C@H](NCF)C(=O)O 4a11309d05dd928275914e61134cc34b [0,2,0,0,0,0|0,0,0]=2 2715 B9R0.15 CCC[C@H](NCO)C(=O)O 8ed95a9b65f6ec26fb42534a4b0d40c6 [0,2,0,0,0,0|0,0,0]=2 2716 B9R0.15 CCC[C@H](OCC)C(=O)O b55cb319009947167c9d3030186a699d [0,2,0,0,0,0|0,0,0]=2 2717 B9R0.15 CCC[C@H](OCF)C(=O)O b94eb6f69fc7fdf1f9e482b81af1a05c [0,2,0,0,0,0|0,0,0]=2 2718 B9R0.15 CCNC(CC#N)C(=O)O b593e528a3ea3783b295dff45338f1b5 [0,2,0,0,0,0|1,0,0]=3 2719 B9R0.15 CCNC(CCO)C(=O)O ec9b28400159a0f3bd4d4102030c6f94 [0,2,0,0,0,0|1,0,0]=3 2720 B9R0.15 CCNC(CCS)C(=O)O 894adeafb354342691704082b81ad183 [0,2,0,0,0,0|1,0,0]=3 2721 B9R0.15 CCNC(COC)C(=O)O 8666ffc2d75c7ef1a9c25dd7ff872719 [0,2,0,0,0,0|1,0,0]=3 2722 B9R0.15 CCNC(CSC)C(=O)O 19a2317c7b6cacebfed6854d0b061359 [0,2,0,0,0,0|1,0,0]=3 2723 B9R0.15 CCN[C@@H](CC#N)C(=O)O 87823d3a23c7cd759b53023f91b5f7b9 [0,2,0,0,0,0|1,0,0]=3 2724 B9R0.15 CCN[C@@H](CCO)C(=O)O ee1457e103a3944a0566d5c7c6bbd264 [0,2,0,0,0,0|1,0,0]=3 2725 B9R0.15 CCN[C@@H](CCS)C(=O)O eeabf13919210a3d1e14227029df672b [0,2,0,0,0,0|1,0,0]=3 2726 B9R0.15 CCN[C@@H](COC)C(=O)O fe19ee7a9399491c4ae2d5dab535745a [0,2,0,0,0,0|1,0,0]=3 2727 B9R0.15 CCN[C@@H](CSC)C(=O)O aa9492ec05f34b189864bb4d6372743a [0,2,0,0,0,0|1,0,0]=3 2728 B9R0.15 CCN[C@H](CCO)C(=O)O 27d5c4053cbd10950b990779d5c4e03c [0,2,0,0,0,0|1,0,0]=3 2729 B9R0.15 CCN[C@H](CCS)C(=O)O e4df37a7af8193f737f4aec8b2a9026e [0,2,0,0,0,0|1,0,0]=3 2730 B9R0.15 CCN[C@H](COC)C(=O)O e0a65b587066427c5ca258f9c76549c8 [0,2,0,0,0,0|1,0,0]=3 2731 B9R0.15 CCN[C@H](CSC)C(=O)O 3bbc0cc0fbe2d3b973d915bc501122dd [0,2,0,0,0,0|1,0,0]=3 2732 B9R0.15 CCOC(CSC)C(=O)O cc607665266d3b7390836d68eaea227f [0,2,0,0,0,0|1,0,0]=3 2733 B9R0.15 COCC(NC#N)C(=O)O e62f3731e6a15f3b9a82cbae1d8e7b4b [0,2,0,0,0,0|1,0,1]=4 2734 B9R0.15 COCC(NCF)C(=O)O e06e5eb50e0d3c51f196c4da212fb4ac [0,2,0,0,0,0|1,0,0]=3 2735 B9R0.15 COCC(NCO)C(=O)O 4881714a75bbcfc06341ef0a4750691c [0,2,0,0,0,0|1,0,0]=3 2736 B9R0.15 COC[C@@H](NCF)C(=O)O 6be1e1a67f9253ad7bd9e4c3a5359fd6 [0,2,0,0,0,0|1,0,0]=3 2737 B9R0.15 COC[C@@H](NCO)C(=O)O a0cdc9f58c45bf20f3bc2930897f7460 [0,2,0,0,0,0|1,0,0]=3 2738 B9R0.15 COC[C@H](NCF)C(=O)O 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[0,2,0,0,0,0|1,0,1]=4 2750 B9R0.15 N#CC[C@H](NCO)C(=O)O 0a07b4e15842af5c37713688932d784b [0,2,0,0,0,0|1,0,1]=4 2751 B9R0.15 O=C(O)C(CCO)NCF d4d90866ebc59db55967f7d0bdf11675 [0,2,0,0,0,0|1,0,0]=3 2752 B9R0.15 O=C(O)C(CCO)NCO fb714a124d86949e2b841bccdfd4fb74 [0,2,0,0,0,0|1,0,0]=3 2753 B9R0.15 O=C(O)C(CCS)NCF b1f421c633752e1de7bff0d322425e1a [0,2,0,0,0,0|1,0,0]=3 2754 B9R0.15 O=C(O)C(CCS)NCO 70c8dc8b0b45f5bcc1b48afeb69039ee [0,2,0,0,0,0|1,0,0]=3 2755 B9R0.15 O=C(O)[C@@H](CCO)NCF 281e605c9610ee8399e04decc10e78f8 [0,2,0,0,0,0|1,0,0]=3 2756 B9R0.15 O=C(O)[C@@H](CCO)NCO cce43576d0469cc14b51716d39422bde [0,2,0,0,0,0|1,0,0]=3 2757 B9R0.15 O=C(O)[C@@H](CCS)NCF b9e20d00d3b7a3d3446b644d64e94332 [0,2,0,0,0,0|1,0,0]=3 2758 B9R0.15 O=C(O)[C@@H](CCS)NCO 972abd32e07d49e5a78bd018862a3417 [0,2,0,0,0,0|1,0,0]=3 2759 B9R0.15 O=C(O)[C@H](CCO)NCF 57274abed8e6c51ed58d185b67faff0f [0,2,0,0,0,0|1,0,0]=3 2760 B9R0.15 O=C(O)[C@H](CCO)NCO 54fc6f95a1dca331a6580fef5e139ffe [0,2,0,0,0,0|1,0,0]=3 2761 B9R0.15 O=C(O)[C@H](CCS)NCF 3b270d4dd2df941f786d3788bb08b434 [0,2,0,0,0,0|1,0,0]=3 2762 B9R0.15 O=C(O)[C@H](CCS)NCO 4aabb0fb905f5a21041f432f1d3a8ead [0,2,0,0,0,0|1,0,0]=3 2763 B9R0.33 CC(C)C(NCF)C(=O)O 109df7da27dddd819fbc6b9ddefadb3e [0,2,0,0,0,0|2,0,0]=4 2764 B9R0.33 CC(C)C(NCO)C(=O)O b07b966a7e54967497cc6a35e9d90be2 [0,2,0,0,0,0|2,0,0]=4 2765 B9R0.33 CC(C)C(OCF)C(=O)O faacbe381eeec4e6467272e4b7096d3d [0,2,0,0,0,0|2,0,0]=4 2766 B9R0.33 CC(C)[C@@H](NCF)C(=O)O 0eaa16e9ac8393d4a1a27bec986c3fa3 [0,2,0,0,0,0|2,0,0]=4 2767 B9R0.33 CC(C)[C@@H](NCO)C(=O)O 993b6a55ed13c43b4aee47b6817fac5f [0,2,0,0,0,0|2,0,0]=4 2768 B9R0.33 CC(C)[C@@H](OCF)C(=O)O 6abb142250ceca611a8c7fcbc3dfefaa [0,2,0,0,0,0|2,0,0]=4 2769 B9R0.33 CC(C)[C@H](NCF)C(=O)O 73a6676296995ddda9da3d10f85f2ba9 [0,2,0,0,0,0|2,0,0]=4 2770 B9R0.33 CC(C)[C@H](NCO)C(=O)O 8519f454486fed8b7b1808452aa59697 [0,2,0,0,0,0|2,0,0]=4 2771 B9R0.33 CC(C)[C@H](OCF)C(=O)O 740154eb173df9782573a89b579e12f6 [0,2,0,0,0,0|2,0,0]=4 2772 B9R0.33 CC(F)C(NCF)C(=O)O 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e4165cc6ff0c693eea4bcdfa4b29dd24 [0,2,0,0,0,0|2,0,0]=4 2795 B9R0.33 C[C@@H](O)[C@H](NCF)C(=O)O 041fd6fa17d170fcb9c9fbbbfc5df709 [0,2,0,0,0,0|2,0,0]=4 2796 B9R0.33 C[C@@H](O)[C@H](NCO)C(=O)O a44eecdc2c3fcb200e5e8d6fec998e23 [0,2,0,0,0,0|2,0,0]=4 2797 B9R0.33 C[C@H](O)C(NCF)C(=O)O 82579d5778b1ff37d3ef3582eab6234a [0,2,0,0,0,0|2,0,0]=4 2798 B9R0.33 C[C@H](O)C(NCO)C(=O)O 60c33965c9dcda1aafe0d8b488625591 [0,2,0,0,0,0|2,0,0]=4 2799 B9R0.33 C[C@H](O)[C@@H](NCF)C(=O)O b67e13506749e064512107b802886c91 [0,2,0,0,0,0|2,0,0]=4 2800 B9R0.33 C[C@H](O)[C@@H](NCO)C(=O)O 4b755acddea367db35af71a8f8671301 [0,2,0,0,0,0|2,0,0]=4 2801 B9R0.33 C[C@H](O)[C@H](NCF)C(=O)O 6658994fdd0cb90c4700161ebc53e40a [0,2,0,0,0,0|2,0,0]=4 2802 B9R0.33 C[C@H](O)[C@H](NCO)C(=O)O 670311f708733ce3ce922f0b4964e777 [0,2,0,0,0,0|2,0,0]=4 2803 B9R0.39 C#CC(OC(C)C)C(=O)O 49bdf733e0cd18ec903fd24fcb81a3b5 [0,2,0,0,0,0|1,0,1]=4 2804 B9R0.39 C/C=C(\OC(C)C)/C(=O)O 41280ad438d668160e49a40f3c15dda1 [0,2,0,0,0,0|1,0,1]=4 2805 B9R0.39 C=CC(NC(C)C)C(=O)O 3ba3ee308a335e4378d11bd8ab8d3907 [0,2,0,0,0,0|1,0,1]=4 2806 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 46c59b96562536fd12a7228d23ca4eb1 [0,2,0,0,0,0|1,0,1]=4 2807 B9R0.39 CC(C)NC(CCl)C(=O)O 1d090088e0aaa37c9b514c387755de07 [0,2,0,0,0,0|1,0,0]=3 2808 B9R0.39 CC(C)NC(CF)C(=O)O 8b21fa6f54b141f4b6af18b3b4ffefaa [0,2,0,0,0,0|1,0,0]=3 2809 B9R0.39 CC(C)NC(CO)C(=O)N d8875318116c6631efd5fac260a88826 [0,2,0,0,0,0|2,0,0]=4 2810 B9R0.39 CC(C)NC(CO)C(=O)O 85ee10fb3bac59316ce1e6039cfeb147 [0,2,0,0,0,0|1,0,0]=3 2811 B9R0.39 CC(C)NC(CS)C(=O)O b57c23a7d3e57d92473dea61f76a2672 [0,2,0,0,0,0|1,0,0]=3 2812 B9R0.39 CC(C)N[C@@H](CCl)C(=O)O fa611d0eed26ab34111eaa7cef381b27 [0,2,0,0,0,0|1,0,0]=3 2813 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 441354e6da5d266cf7f3d04efd4729b4 [0,2,0,0,0,0|2,0,0]=4 2814 B9R0.39 CC(C)N[C@@H](CO)C(=O)O 8ae958defe682519febcc0d02a27c749 [0,2,0,0,0,0|1,0,0]=3 2815 B9R0.39 CC(C)N[C@@H](CS)C(=O)O 119dfa838d7ff3de760652ba7e666146 [0,2,0,0,0,0|1,0,0]=3 2816 B9R0.39 CC(C)N[C@H](CCl)C(=O)O 4c423d085885a287396db55e021a67f5 [0,2,0,0,0,0|1,0,0]=3 2817 B9R0.39 CC(C)N[C@H](CO)C(=O)O f97c39ed7b4137999e81b90006e7bfe4 [0,2,0,0,0,0|1,0,0]=3 2818 B9R0.39 CC(C)N[C@H](CS)C(=O)O a1a62cb98dbd812d6c6c17f2766c44c4 [0,2,0,0,0,0|1,0,0]=3 2819 B9R0.39 CC(C)OC(CF)C(=O)O 4eb539bb2e6a75f80e116d9106d066eb [0,2,0,0,0,0|1,0,0]=3 2820 B9R0.39 CC(C)O[C@H](CF)C(=O)O 8f75e8da877a6bd31a8573cc837ee428 [0,2,0,0,0,0|1,0,0]=3 2821 B9R0.39 CCC(NC(C)C)C(=O)N abcd3d2ef4a3fa1141e4f742570a9e4e [0,2,0,0,0,0|2,0,0]=4 2822 B9R0.39 CCC(NC(C)C)C(=O)O d1e2ab254f28f635f62d6836cb2971ca [0,2,0,0,0,0|1,0,0]=3 2823 B9R0.39 CCC(OC(C)C)C(=O)N cc991842340cd018cf89adfa13e82dc0 [0,2,0,0,0,0|2,0,0]=4 2824 B9R0.39 CCC(OC(C)C)C(=O)O 7fcc47a1ffa6d28a9e2f6a969b94e76f [0,2,0,0,0,0|1,0,0]=3 2825 B9R0.39 CCN(CC(C)C)C(=O)C d3afa778674478bcd045a60bd0a7d7f9 [0,2,0,0,0,0|2,0,0]=4 2826 B9R0.39 CCN(CC(C)O)C(=O)C 277afb1450bd63b784532903e9ac21b6 [0,2,0,0,0,0|2,0,0]=4 2827 B9R0.39 CCN(C[C@H](C)O)C(=O)C bad726abafa164d2249e92029a2e2c34 [0,2,0,0,0,0|2,0,0]=4 2828 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 74f2971df7036370e0da2bb233c67656 [0,2,0,0,0,0|1,0,0]=3 2829 B9R0.39 CC[C@@H](OC(C)C)C(=O)O 9e1bf9aaca44c9873fc554bb30857075 [0,2,0,0,0,0|1,0,0]=3 2830 B9R0.39 CC[C@H](NC(C)C)C(=O)N 4a970c7a5270e9ab4ceda05912ee5514 [0,2,0,0,0,0|2,0,0]=4 2831 B9R0.39 CC[C@H](NC(C)C)C(=O)O 1465e55476e138472b94d4661e4437b0 [0,2,0,0,0,0|1,0,0]=3 2832 B9R0.39 CC[C@H](OC(C)C)C(=O)O 8b12a996afa700d32afad4accf218d75 [0,2,0,0,0,0|1,0,0]=3 2833 B9R0.57 CC(=O)C(C)NC(C)(C)C 4aa071fff5decc1d4ed8276eac1749ed [0,2,0,0,0,0|2,0,0]=4 2834 B9R0.57 CC(=O)N(C)CC(C)(C)C 7f5f1ba1a5ce75a29593efebb9170e16 [0,2,0,0,0,0|2,0,0]=4 2835 B9R0.57 CC(=O)N(C)CC(C)(C)O a29fce17a73d3d46a44a5986b0cadbdf [0,2,0,0,0,0|2,0,0]=4 2836 B9R0.57 CC(C)(C)NC(F)C(=O)O caafb65aea0d94bbf30a2c8126339649 [0,2,0,0,0,0|2,0,0]=4 2837 B9R0.57 CC(C)(C)N[C@@H](F)C(=O)O dd857def7675bf92d846e473c3b96153 [0,2,0,0,0,0|2,0,0]=4 2838 B9R0.57 CC(NC(C)(C)C)C(=O)N eb85759cb04e25711e1ac7a2c45c93d9 [0,2,0,0,0,0|2,0,0]=4 2839 B9R0.57 C[C@@H](NC(C)(C)C)C(=O)N 27179207da8e50bebdddd45ab927463e [0,2,0,0,0,0|2,0,0]=4 2840 B9R0.57 C[C@H](NC(C)(C)C)C(=O)N f0e5a37056c2d7eae2b8afb8346ebd5b [0,2,0,0,0,0|2,0,0]=4 2841 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [1,0,0,1,0,0|2,0,0]=4 2842 B7R1.6 CCNC1COC1 43258951421d9554a9c394ad23b1cfb7 [1,0,0,1,0,0|1,0,1]=4 2843 B7R1.6 CCOC1COC1 5ee51175a5d1fbea3fd7b3b34e98d1ce [1,0,0,1,0,0|1,0,1]=4 2844 B7R1.10 O=CN1CC(C1)F 10673579aa5b90bc9fa1305ce11b0f6e [1,0,0,1,0,0|2,0,0]=4 2845 B7R1.10 O=CN1CC(C1)O c56a5fb25f079a78b4196509b3241e16 [1,0,0,1,0,0|2,0,0]=4 2846 B7R1.22 CN(C=O)C1CC1 928f5a4e3607cba3f0183c684f92be70 [1,0,0,1,0,0|1,0,0]=3 2847 B7R1.22 CN(CO)C1CC1 6f2172a1520d8d373b29f297b52bc26d [1,0,0,1,0,0|1,0,1]=4 2848 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [1,0,0,1,0,0|2,0,0]=4 2849 B7R1.20 CC(=O)NC1CC1 d75fb765a64005f603eb0ff25694647c [1,0,0,1,0,0|2,0,0]=4 2850 B9R1.7 CCCN1CNC(=O)C1 3c5d5a0187668e5f708d17c495c62e95 [0,0,0,1,0,1|2,0,0]=4 2851 B9R1.7 CCNC1CNC(=O)C1 f034b1c0e5aa31eff338453bd1cde7f9 [0,0,0,1,0,1|2,0,0]=4 2852 B9R1.7 CCN[C@@H]1CNC(=O)C1 53d087e66deab9a5a56ba2147c98eebb [0,0,0,1,0,1|2,0,0]=4 2853 B9R1.7 CCN[C@H]1CNC(=O)C1 a0f226362b35f34e32c6ff7f460edeb1 [0,0,0,1,0,1|2,0,0]=4 2854 B9R1.7 CCOC1CCC(=O)C1 20f868b46959ea3477a4c5711e7faca7 [0,0,0,1,0,1|2,0,0]=4 2855 B9R1.7 CCOC1CNC(=O)C1 5dfdd0a06ecc1692efd79633b6c9fdb4 [0,0,0,1,0,1|2,0,0]=4 2856 B9R1.7 CCOC1COC(=O)C1 a14609c36cb4911f4d4f0326be24482c [0,0,0,1,0,1|1,0,0]=3 2857 B9R1.7 CCO[C@@H]1CNC(=O)C1 a15700fb6c9d37d8c11af797ede2320b [0,0,0,1,0,1|2,0,0]=4 2858 B9R1.7 CCO[C@@H]1COC(=O)C1 f08fd85a64aaf6d51d762bf437e965d8 [0,0,0,1,0,1|1,0,0]=3 2859 B9R1.7 CCO[C@H]1CNC(=O)C1 442cd5fabba5f8376815e4dbe7155a78 [0,0,0,1,0,1|2,0,0]=4 2860 B9R1.7 CCO[C@H]1COC(=O)C1 b5b6c1c9b0e94e583c1e7d2706c4af7c [0,0,0,1,0,1|1,0,0]=3 2861 B9R1.7 O=C1CC(CO1)OCF 6ccdee68b23c369d52f71b4fd0fa7d68 [0,0,0,1,0,1|2,0,0]=4 2862 B9R1.7 O=C1C[C@@H](CO1)OCF 51d79eb5dd5903751f5c379bd3b2cb3a [0,0,0,1,0,1|2,0,0]=4 2863 B9R1.7 O=C1C[C@H](CO1)OCF f528bbda1523620d35f6549c89ffa164 [0,0,0,1,0,1|2,0,0]=4 2864 B9R1.13 CC(=O)NC1CCCC1 a2d6bc9cfdeb39e26a278a42ee1d6324 [0,0,0,1,0,1|1,0,0]=3 2865 B9R1.13 CC(=O)NC1CCOC1 c5177dfe9e6c084a2da585e140eb24a0 [0,0,0,1,0,1|2,0,0]=4 2866 B9R1.13 CC(=O)NC1CCSC1 730ac5b1a87c9b477c5040aed194c284 [0,0,0,1,0,1|2,0,0]=4 2867 B9R1.13 CC(=O)N[C@@H]1CCOC1 a0946b6158cd267ecce33909819f831a [0,0,0,1,0,1|2,0,0]=4 2868 B9R1.13 CC(=O)N[C@H]1CCOC1 1f47913b87a63d932081a27afac44166 [0,0,0,1,0,1|2,0,0]=4 2869 B9R1.13 O=C(O)CN1CCSC1 3cee187b91b84407a74d8a64ddd2529a [0,0,0,1,0,1|2,0,0]=4 2870 B9R1.41 CC(=O)N1CCCC1C f3ed72e102a18b3ca7365fff10aeb6f8 [0,0,0,1,0,1|1,0,0]=3 2871 B9R1.41 CC(=O)N1CCCC1O b5790fb44bfcbecb21ad5fbf05ca9a35 [0,0,0,1,0,1|2,0,0]=4 2872 B9R1.41 CC(=O)N1CCC[C@@H]1C 45c9778b44581f9933633398df3c02d2 [0,0,0,1,0,1|1,0,0]=3 2873 B9R1.41 CC(=O)N1CCC[C@H]1C 77e41bde24aa3c51a340cfebe6f455b1 [0,0,0,1,0,1|1,0,0]=3 2874 B9R1.41 CC(=O)N1CCSC1C 13a90b79e1eaed8ff645ef446550c0e3 [0,0,0,1,0,1|2,0,0]=4 2875 B9R1.52 CC(=O)N1C(CC1C)C d825f591833d5e0a442032eae5313b9d [0,0,0,1,0,1|1,0,0]=3 2876 B9R1.52 CC(=O)N1[C@@H](C[C@@H]1C)C 4e2229f8146ce5646a498c302183cf52 [0,0,0,1,0,1|1,0,0]=3 2877 B9R1.52 CC(=O)N1[C@@H](C[C@H]1C)C cade317e458702f2614a7905862507f2 [0,0,0,1,0,1|1,0,0]=3 2878 B9R1.52 CC(=O)N1[C@H](C[C@@H]1C)C 3b50e267751b2a24aac73ac831cd48fb [0,0,0,1,0,1|1,0,0]=3 2879 B9R1.53 CC(=O)NC1CC(C1)F 7223308b19c70b0e1bd9898cb652418c [0,0,0,1,0,1|2,0,0]=4 2880 B9R1.53 CC(=O)NC1CC(C1)O 8799f4af3e0b6d09fbf8b9528ac7ebaa [0,0,0,1,0,1|2,0,0]=4 2881 B9R1.53 CC(=O)NC1CN(C1)C 5352a1082a0de910e4849e8a20f416eb [0,0,0,1,0,1|2,0,0]=4 2882 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)F 181d91871be7f8e4efc6814a1c683243 [0,0,0,1,0,1|2,0,0]=4 2883 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 8a924b3dc097e65a33d640e85c34f83f [0,0,0,1,0,1|2,0,0]=4 2884 B9R1.53 CC(=O)N[C@H]1C[C@H](C1)F 44691e28cb286cfd51c0cab56e7261eb [0,0,0,1,0,1|2,0,0]=4 2885 B9R1.53 CC(=O)N[C@H]1C[C@H](C1)O fe9ddac170e9c08eaecbd11e2341ace8 [0,0,0,1,0,1|2,0,0]=4 2886 B9R1.53 O=C(O)CN1CC(C1)F bc7076e56d5dac9076928f37c7df6ae5 [0,0,0,1,0,1|2,0,0]=4 2887 B9R1.53 O=C(O)CN1CC(C1)O cd9cc5381132e3ab65c96da44eace8e8 [0,0,0,1,0,1|2,0,0]=4 2888 B9R1.86 CC(=O)N[C@@H]1C[C@H]1CO 0ac341c281dc9252b106f5d7b9e0551f [0,0,0,1,0,1|2,0,0]=4 2889 B9R1.86 CC(=O)N[C@H]1C[C@@H]1CO 228632cfd2f8d7f21118d84b7904f197 [0,0,0,1,0,1|2,0,0]=4 2890 B9R1.86 CC(=O)N[C@H]1C[C@H]1CO 38116f4ae17d91e0551dbf756c4676ef [0,0,0,1,0,1|2,0,0]=4 2891 B9R1.86 CO[C@H]1C[C@H]1NC(=O)C b71e84ef949a92b8a12e539c63f6f21c [0,0,0,1,0,1|2,0,0]=4 2892 B9R1.137 CC(=O)N[C@@H](C)C1CC1 cb52c7f3ebe5aa8b915eead0d67bbb30 [0,0,0,1,0,1|1,0,0]=3 2893 B9R1.137 CC(=O)N[C@H](C)C1CC1 691d9804742e6e549d488040ae1ee5cb [0,0,0,1,0,1|1,0,0]=3 2894 B9R1.137 CN(CC(=O)N)C1CC1 e353d6cb022b6e315f0557db77d4879c [0,0,0,1,0,1|2,0,0]=4 2895 B9R1.137 CN(CC(=O)O)C1CC1 e912d9f2a96d438402b8e9e74437ecb9 [0,0,0,1,0,1|1,0,0]=3 2896 B9R1.171 CC(=O)NC1(CSC1)C 49d237f05f5c0abd511394bd42792a4c [0,0,0,1,0,1|2,0,0]=4 2897 B9R1.96 CCC1CCN1C(=O)C f8a8c2660e185a53a38bd009b5fd9a1e [0,1,0,1,0,0|2,0,0]=4 2898 B9R1.96 CCN1CCC1C(=O)N 1cfe5ebf987ecebafa868cbdeb4b7422 [0,1,0,1,0,0|2,0,0]=4 2899 B9R1.96 CCN1CCC1C(=O)O ca0bbfd670281167636f7e4dd4cc56bf [0,1,0,1,0,0|1,0,0]=3 2900 B9R1.96 CCN1CC[C@@H]1C(=O)N d26915c9d0e6ed65803bfdf786a1b1ce [0,1,0,1,0,0|2,0,0]=4 2901 B9R1.96 CCN1CC[C@@H]1C(=O)O e809f9b39a76e5f73ee720d520f2d8da [0,1,0,1,0,0|1,0,0]=3 2902 B9R1.96 CCN1CC[C@H]1C(=O)N 32f8eb51fb894d3b554c30dd0433e814 [0,1,0,1,0,0|2,0,0]=4 2903 B9R1.96 CCN1CC[C@H]1C(=O)O 90d4ef3b77b2d2edfd444739e71a1146 [0,1,0,1,0,0|1,0,0]=3 2904 B9R1.96 O=C(O)C1CCN1CF a73c50a5747fbf1c9dcb89ff140eef56 [0,1,0,1,0,0|2,0,0]=4 2905 B9R1.96 O=C(O)C1CCN1CO dcd47fec92d7cd22c146c2f982367c0e [0,1,0,1,0,0|2,0,0]=4 2906 B9R1.96 O=C(O)[C@@H]1CCN1CF 33bf6032edb12ba6e0c6af4b3ab637c5 [0,1,0,1,0,0|2,0,0]=4 2907 B9R1.96 O=C(O)[C@@H]1CCN1CO 2d3df4b77e74f2ed1add2f1fa0f35f44 [0,1,0,1,0,0|2,0,0]=4 2908 B9R1.96 O=C(O)[C@H]1CCN1CF 732a43f42ed58b977b82331718d13123 [0,1,0,1,0,0|2,0,0]=4 2909 B9R1.96 O=C(O)[C@H]1CCN1CO 49245c491708831bcf451e59d5634aff [0,1,0,1,0,0|2,0,0]=4 2910 B9R1.101 C#CC(=O)N(C)C1CC1 933d4c97ba12a9b2e430d1a7ce87072a [0,1,0,1,0,0|2,0,0]=4 2911 B9R1.101 C=CC(=O)N(C)C1CC1 9d1eb4c98165414b4f3b77c58da83975 [0,1,0,1,0,0|2,0,0]=4 2912 B9R1.101 CC(C1CC1)N(C)C=O 91c54a05e1e55b20e76c701d5244e8f4 [0,1,0,1,0,0|2,0,0]=4 2913 B9R1.101 CC(C1CC1)N(C)CO 7aafa28bab2f869fd8b8c6b9fcddd079 [0,1,0,1,0,0|2,0,0]=4 2914 B9R1.101 CCC(=O)N(C)C1CC1 4ece58f79bc14395a841bae67334e13b [0,1,0,1,0,0|2,0,0]=4 2915 B9R1.101 CN(C(=O)C=O)C1CC1 2da9934fc88e7bdf8f8a5d8002ddf8bc [0,1,0,1,0,0|1,0,1]=4 2916 B9R1.101 CN(C(=O)CF)C1CC1 dbecb7cfa46b257a77b9f29a3ea671a2 [0,1,0,1,0,0|2,0,0]=4 2917 B9R1.101 CN(C(=O)CO)C1CC1 cd49ce8ddca1865d0413961f2270e402 [0,1,0,1,0,0|1,0,0]=3 2918 B9R1.110 CC(=O)C(C)N1CCC1 9f219de39e89ec6f8e9e33807d8dd477 [0,1,0,1,0,0|1,0,0]=3 2919 B9R1.110 CC(=O)N(C)C1CCC1 a2c06594b7418a1a27e295f2f752df67 [0,1,0,1,0,0|2,0,0]=4 2920 B9R1.110 CC(=O)N(C)C1COC1 6d43d8aaec682a477ae09995ae393699 [0,1,0,1,0,0|2,0,0]=4 2921 B9R1.110 CC(C(=O)N)N1CCC1 a1dc9b019a6e9acad5c67a5e190ec480 [0,1,0,1,0,0|1,0,0]=3 2922 B9R1.110 CC(C(=O)O)N1CCC1 ec88a5e0123d5408898cf9e078ab2e9b [0,1,0,1,0,0|0,0,0]=2 2923 B9R1.110 C[C@@H](C(=O)N)N1CCC1 dd4f35b4b6ab8335efe58846193101fd [0,1,0,1,0,0|1,0,0]=3 2924 B9R1.110 C[C@@H](C(=O)O)N1CCC1 6d9f8aa04608a34debfa26472baad0e1 [0,1,0,1,0,0|0,0,0]=2 2925 B9R1.110 C[C@H](C(=O)N)N1CCC1 b9d6d0dceb5dec389ff05336a36af3fb [0,1,0,1,0,0|1,0,0]=3 2926 B9R1.110 C[C@H](C(=O)O)N1CCC1 b83116f410ba3b08b132985605530e43 [0,1,0,1,0,0|0,0,0]=2 2927 B9R1.111 CC(=O)N(C)C1(CC1)C 909fc378e24ad2f8e2bdea930f458528 [0,1,0,1,0,0|2,0,0]=4 2928 B9R1.11 CN(CO)C1CCCC1 0b5d16fc59af1f86a07861d7fe6de384 [0,1,0,1,0,0|2,0,0]=4 2929 B9R1.11 O=C(CO)N1CCSC1 42095cf2ba0d7bb360a067bfcbd5ee52 [0,1,0,1,0,0|2,0,0]=4 2930 B9R1.15 CC1CCCCN1C=O 5edffbe7b981e62d376cf463cc81b5a0 [0,1,0,1,0,0|2,0,0]=4 2931 B9R1.15 CC1CCCCN1CO 51fa6066fe243cadf796064968abed1d [0,1,0,1,0,0|2,0,0]=4 2932 B9R1.15 C[C@@H]1CCCCN1C=O a3eec1c9235da9d654fdc4f1cd619716 [0,1,0,1,0,0|2,0,0]=4 2933 B9R1.15 C[C@@H]1CCCCN1CO 48a916b223b43cd97604cd793c27c7ee [0,1,0,1,0,0|2,0,0]=4 2934 B9R1.15 C[C@H]1CCCCN1C=O ca092eb4253ff1332fa8641d72ce7d5e [0,1,0,1,0,0|2,0,0]=4 2935 B9R1.15 C[C@H]1CCCCN1CO c9f51543a38eb85e2bdab1d085a77a87 [0,1,0,1,0,0|2,0,0]=4 2936 B9R1.33 CCNC1CCNC1=O 7ca8029da61d3d4038e53b166243ebeb [0,1,0,1,0,0|2,0,0]=4 2937 B9R1.33 CCNC1CCSC1=O b170125bf493751e42532dd86c219256 [0,1,0,1,0,0|1,1,0]=4 2938 B9R1.33 CCNC1CONC1=O d8916a3b97038fb92765b79c0c2fa307 [0,1,0,1,0,0|1,0,0]=3 2939 B9R1.33 CCN[C@@H]1CCNC1=O b778b480924bfa692e02248b56fb56cd [0,1,0,1,0,0|2,0,0]=4 2940 B9R1.33 CCN[C@@H]1CCOC1=O 74b3897799f45738d0bb44924384c10e [0,1,0,1,0,0|1,0,0]=3 2941 B9R1.33 CCN[C@@H]1CONC1=O e20045b5ef59313798e9b6a92cce0e1a [0,1,0,1,0,0|1,0,0]=3 2942 B9R1.33 CCN[C@H]1CCNC1=O 659170641ab39dc9cbd8871033438dcc [0,1,0,1,0,0|2,0,0]=4 2943 B9R1.33 CCN[C@H]1CCOC1=O 5ec21f69d9ce47df74aa6d4e2b7c83d0 [0,1,0,1,0,0|1,0,0]=3 2944 B9R1.33 CCN[C@H]1CONC1=O 12c871b200af3033c6d6052f529438ff [0,1,0,1,0,0|1,0,0]=3 2945 B9R1.33 CCOC1CCCC1=O 19fd59f8b378305519536cfc5c950157 [0,1,0,1,0,0|2,0,0]=4 2946 B9R1.33 CCOC1CCNC1=O 8fdacff95d4ce2d1c3d495fa66f75dd5 [0,1,0,1,0,0|2,0,0]=4 2947 B9R1.33 CCO[C@@H]1CCNC1=O d615de1523fb9db14752de0db1c501b4 [0,1,0,1,0,0|2,0,0]=4 2948 B9R1.33 CCO[C@H]1CCNC1=O 5eaae9c583183b85f65e479b22e5ff87 [0,1,0,1,0,0|2,0,0]=4 2949 B9R1.33 O=C1NOCC1NCF 0a36e73cf135056eab94399dd62fb2b7 [0,1,0,1,0,0|2,0,0]=4 2950 B9R1.33 O=C1NOCC1NCO c2f3865e99f65a0433812f9eb244ee42 [0,1,0,1,0,0|2,0,0]=4 2951 B9R1.33 O=C1NOC[C@@H]1NCF 2c41b6e2c787fc544f1a9192724686de [0,1,0,1,0,0|2,0,0]=4 2952 B9R1.33 O=C1NOC[C@@H]1NCO e07b6c80a0f90a89b95f72226d3b3f7c [0,1,0,1,0,0|2,0,0]=4 2953 B9R1.33 O=C1NOC[C@H]1NCF 0b09ab35afd2e9005d6d226349d6f0da [0,1,0,1,0,0|2,0,0]=4 2954 B9R1.33 O=C1NOC[C@H]1NCO 543fdad51b668c3c823f38e9c138d54a [0,1,0,1,0,0|2,0,0]=4 2955 B9R1.33 O=C1OCCC1OCF b85388f82f2377d14f86f51a66ceceb4 [0,1,0,1,0,0|2,0,0]=4 2956 B9R1.33 O=C1OCC[C@@H]1NCF e1dd4e315ccdd3ee423490069e903050 [0,1,0,1,0,0|2,0,0]=4 2957 B9R1.33 O=C1OCC[C@@H]1NCO fd71f95ebb01bbdbbb2ef25d589937b3 [0,1,0,1,0,0|2,0,0]=4 2958 B9R1.33 O=C1OCC[C@@H]1OCF 04d97e9b330871c6652fe82ab6503f03 [0,1,0,1,0,0|2,0,0]=4 2959 B9R1.33 O=C1OCC[C@H]1NCF f31145c15fd3ca3d3a6551d0366095af [0,1,0,1,0,0|2,0,0]=4 2960 B9R1.33 O=C1OCC[C@H]1NCO e4d04d631c6f331f98f78546df6deaf9 [0,1,0,1,0,0|2,0,0]=4 2961 B9R1.33 O=C1OCC[C@H]1OCF 120575dbb395d8d5ab73f91874f52789 [0,1,0,1,0,0|2,0,0]=4 2962 B9R1.82 O=C(CO)N1CC(C1)F 54804ef83ae8e910e534df47ce7c78f1 [0,1,0,1,0,0|2,0,0]=4 2963 B9R1.82 O=C(CO)N1CC(C1)O 2086dd098a2aa7cd776869cf85de5ed2 [0,1,0,1,0,0|2,0,0]=4 2964 B9R1.88 CCN1CC1C(=O)OC f034603aa7057edd7cbcbf568fb8f16a [0,1,0,1,0,0|1,0,0]=3 2965 B9R1.88 CCN1C[C@H]1C(=O)OC f91fd31959795f4d191be975337de98c [0,1,0,1,0,0|1,0,0]=3 2966 B9R1.88 COC(=O)C1CN1CF d8920555019a1b54b1f0294fbc450fb1 [0,1,0,1,0,0|2,0,0]=4 2967 B9R1.88 COC(=O)C1CN1CO 90cf4da76cb7c6fe31b6fb3dc60e8f6c [0,1,0,1,0,0|2,0,0]=4 2968 B9R1.88 COC(=O)[C@@H]1CN1CF fc01eb2b8dee62155c1b6ba0209f1261 [0,1,0,1,0,0|2,0,0]=4 2969 B9R1.88 COC(=O)[C@@H]1CN1CO 09a2b35b3698420a9a82ac9cd52accec [0,1,0,1,0,0|2,0,0]=4 2970 B9R1.6 CC(=O)N1CCCOC1 736ab4cc5910e1cdbf1f270a5cd9760a [0,1,0,1,0,0|2,0,0]=4 2971 B9R1.6 CC(=O)N1CCCSC1 1ff1106b7e69aa264320301adcb4387e [0,1,0,1,0,0|2,0,0]=4 2972 B9R1.6 CC(=O)N1CCOCC1 b274306c5ecbdaabc7e8d85c11df9df8 [0,1,0,1,0,0|2,0,0]=4 2973 B9R1.6 CC(=O)N1CCSCC1 a2a73cc62f318cd0138a717f4c94c193 [0,1,0,1,0,0|2,0,0]=4 2974 B9R1.23 CCN1CC(C(C1)O)C c9c9d5e6873216e0f55b0333b65c70fc [0,1,0,1,0,0|1,0,1]=4 2975 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 2e3b142959fc71d6a42284d936b3dab4 [0,1,0,1,0,0|1,0,1]=4 2976 B9R1.35 CC(=O)N1CCC(C1)C 62fae45163ab5fc8df8ad46633eee0ac [0,1,0,1,0,0|2,0,0]=4 2977 B9R1.35 CC(=O)N1CCC(C1)F a6d7f64dfc4ae3923d1e882541a80fe0 [0,1,0,1,0,0|2,0,0]=4 2978 B9R1.35 CC(=O)N1CCC(C1)O d6f7e3e992ee3d9bc88f42beae2651f4 [0,1,0,1,0,0|2,0,0]=4 2979 B9R1.35 CC(=O)N1CCN(C1)C 5a30c81e7d4d94bbb4d67833191502c6 [0,1,0,1,0,0|2,0,0]=4 2980 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1016d6a16006ef8ebfa1a324326808d5 [0,1,0,1,0,0|2,0,0]=4 2981 B9R1.35 CC(=O)N1CC[C@@H](C1)O eba103538f34c1984ba106a2ce04ce40 [0,1,0,1,0,0|2,0,0]=4 2982 B9R1.35 CC(=O)N1CC[C@H](C1)F 286010f93b872d924c1e32cdd70d17f3 [0,1,0,1,0,0|2,0,0]=4 2983 B9R1.35 CC(=O)N1CC[C@H](C1)O a7a4738d457ef17a95fd7f51dd477d8d [0,1,0,1,0,0|2,0,0]=4 2984 B9R1.39 CCCNC1CCC1O d155a733c41c62abda7d08da95cfc65c [0,1,0,1,0,0|1,0,1]=4 2985 B9R1.39 CCCNC1COC1C b1aaf2ab047435cf9a15478d5d560ad8 [0,1,0,1,0,0|1,0,1]=4 2986 B9R1.39 CCCN[C@@H]1CC[C@@H]1O 26f710b672dad38acbb559b9bae73466 [0,1,0,1,0,0|1,0,1]=4 2987 B9R1.39 CCCN[C@@H]1CC[C@H]1O 1240837254956ece18ef0c124fef8aba [0,1,0,1,0,0|1,0,1]=4 2988 B9R1.39 CCCN[C@H]1CC[C@@H]1O 393ffdf10510a7842b6493a44dc8cabe [0,1,0,1,0,0|1,0,1]=4 2989 B9R1.39 CCCN[C@H]1CC[C@H]1O 05a01537d0a8846f5484509481105bbc [0,1,0,1,0,0|1,0,1]=4 2990 B9R1.39 CCCN[C@H]1CNC1=O d54fb2abe7455950df3e037f3ce21945 [0,1,0,1,0,0|1,0,0]=3 2991 B9R1.39 CCCOC1CCC1=O 6747d0d4bf3ca4d2474fd2057207f365 [0,1,0,1,0,0|1,0,0]=3 2992 B9R1.39 CCCOC1COC1C 082863f32e89201820397c080e5dbba8 [0,1,0,1,0,0|1,0,1]=4 2993 B9R1.39 CCOCC1CCC1=O a06c32f97be82794ffc1ab53b750de7f [0,1,0,1,0,0|1,0,0]=3 2994 B9R1.39 COCN[C@H]1CNC1=O 79ec673944e269da0c81c295a4fdcfe4 [0,1,0,1,0,0|2,0,0]=4 2995 B9R1.39 COCOC1CCC1=O cb47f60d015388daefcfa2b6dd0ad8dd [0,1,0,1,0,0|2,0,0]=4 2996 B9R1.39 CSCN[C@H]1CNC1=O 13ab6649debaba6c049234ac9c541a81 [0,1,0,1,0,0|2,0,0]=4 2997 B9R1.39 CSCOC1CCC1=O 7048061bc11cd0d22a524721b970ff41 [0,1,0,1,0,0|2,0,0]=4 2998 B9R1.39 N#CNCC1COC1=O 508bdf99e0140a74c7a5a76be82c820d [0,1,0,1,0,0|1,0,1]=4 2999 B9R1.39 O=C1CCC1COCF 1634c48acd08b0642ca0e9a669398342 [0,1,0,1,0,0|2,0,0]=4 3000 B9R1.39 O=C1CCC1NCCI bbc9d8cfca0a3c47d4f408026b04c9ca [0,1,0,1,0,0|2,0,0]=4 3001 B9R1.39 O=C1CCC1NCCO 6ba8bc28b11ed8fcaf6b4ee2f92451e5 [0,1,0,1,0,0|2,0,0]=4 3002 B9R1.39 O=C1CCC1OCCF dd8162d9e9efdcef395b302d66117a1f [0,1,0,1,0,0|2,0,0]=4 3003 B9R1.39 O=C1CCC1OCCS 623af281b20256d582f920eb3b4a5f07 [0,1,0,1,0,0|2,0,0]=4 3004 B9R1.39 O=C1NC[C@@H]1NCCF 3b54114b322400c0f261b4adfa92d387 [0,1,0,1,0,0|2,0,0]=4 3005 B9R1.39 O=C1NC[C@@H]1NCCO a25df6bd47e1df40656516bf4b95022f [0,1,0,1,0,0|2,0,0]=4 3006 B9R1.39 O=C1NC[C@@H]1NCCS 94cfb0d26c3c333004bc9896c8a1b3ed [0,1,0,1,0,0|2,0,0]=4 3007 B9R1.95 CC(=O)N1CC(C1)CF 7e226eb25a37d0ef716532b073f9bc17 [0,1,0,1,0,0|2,0,0]=4 3008 B9R1.95 CC(=O)N1CC(C1)CO 85101a47431a7260906a7aae57e2dae8 [0,1,0,1,0,0|2,0,0]=4 3009 B9R1.95 CCC1CN(C1)C(=O)C bab914ace2e180340bf5a20b479d0aae [0,1,0,1,0,0|2,0,0]=4 3010 B9R1.95 CCN1CC(C1)C(=O)N 9f7db4592c3ec9a62c68649606469901 [0,1,0,1,0,0|1,0,0]=3 3011 B9R1.95 CCN1CC(C1)C(=O)O 081311d3c14b920e24630a696a7ba3f7 [0,1,0,1,0,0|0,0,0]=2 3012 B9R1.95 CCN1CC(C1)C(C)O cfdc4e13dfb5a35bfc0c63d7e2fbb70d [0,1,0,1,0,0|1,0,1]=4 3013 B9R1.95 COC1CN(C1)C(=O)C 8d5807765a4dcadf973d1cf1977d8745 [0,1,0,1,0,0|2,0,0]=4 3014 B9R1.95 CSC1CN(C1)C(=O)C 2894d9912f5f4ff944df13b23e87b7f5 [0,1,0,1,0,0|2,0,0]=4 3015 B9R1.95 NC(=O)C1CN(C1)CF 3dd7e05fa664fb6682f611bee3e16273 [0,1,0,1,0,0|2,0,0]=4 3016 B9R1.95 NC(=O)C1CN(C1)CO da65aa36ba119c4a6f76c2fb84a9e25a [0,1,0,1,0,0|2,0,0]=4 3017 B9R1.95 O=C(O)C1CN(C1)CF 5858d7f931a4d75f836d678fe2360033 [0,1,0,1,0,0|1,0,0]=3 3018 B9R1.95 O=C(O)C1CN(C1)CO 464a11c339a26b6ec21bbe92982237ee [0,1,0,1,0,0|1,0,0]=3 3019 B9R1.112 CC(=O)C(C)NC1CC1 578daf6a12a73f9663c981f7bceeda1f [0,1,0,1,0,0|1,0,0]=3 3020 B9R1.112 CC(=O)C(C)OC1CC1 30ddb4c797d348d98c57f0ee09328957 [0,1,0,1,0,0|1,0,0]=3 3021 B9R1.112 CC(=O)N(C)CC1CC1 aa2557343c0335a57b22c64ac85ef07a [0,1,0,1,0,0|2,0,0]=4 3022 B9R1.112 CC(NC1CC1)C(=O)N a9c7d74ade2ebdd224a39302f5d18bf9 [0,1,0,1,0,0|1,0,0]=3 3023 B9R1.112 CC(NC1CC1)C(=O)O 9f16a679f53d1b6a7c598414dcc647c1 [0,1,0,1,0,0|0,0,0]=2 3024 B9R1.112 CC(O)C(C)NC1CC1 bdd97eee332459224837ffa77b3e37ab [0,1,0,1,0,0|1,0,1]=4 3025 B9R1.112 CC(OC1CC1)C(=O)N ff199b18df903389d7880a27249a0987 [0,1,0,1,0,0|1,0,0]=3 3026 B9R1.112 CC(OC1CC1)C(=O)O c571a164b07a3b0ff7a8556f8699f4a3 [0,1,0,1,0,0|0,0,0]=2 3027 B9R1.112 C[C@@H](NC1CC1)C(=O)N 70939fc330ba98da8c1645b9a6f3fcf3 [0,1,0,1,0,0|1,0,0]=3 3028 B9R1.112 C[C@@H](NC1CC1)C(=O)O 0af862409a6887d25e25f4a186199a51 [0,1,0,1,0,0|0,0,0]=2 3029 B9R1.112 C[C@@H](OC1CC1)C(=O)N b484ddfdefe2c8309e61fe2ab731ce12 [0,1,0,1,0,0|1,0,0]=3 3030 B9R1.112 C[C@@H](OC1CC1)C(=O)O 02a1dfde219281849e31ed75d43f36ac [0,1,0,1,0,0|0,0,0]=2 3031 B9R1.112 C[C@H](NC1CC1)C(=O)N 473107cd3bb6f22d12833b7f8fb42b5a [0,1,0,1,0,0|1,0,0]=3 3032 B9R1.112 C[C@H](NC1CC1)C(=O)O 8f50576c81c731defbf87059fbc2bbc5 [0,1,0,1,0,0|0,0,0]=2 3033 B9R1.112 C[C@H](OC1CC1)C(=O)N ed60384573a6c99d11104280606c6783 [0,1,0,1,0,0|1,0,0]=3 3034 B9R1.112 C[C@H](OC1CC1)C(=O)O 3ff101290c7cafe95c2fba539b32018c [0,1,0,1,0,0|0,0,0]=2 3035 B9R1.112 NC(=O)C(F)NC1CC1 7adad0e454ca386173410c7972b3c197 [0,1,0,1,0,0|2,0,0]=4 3036 B9R1.112 NC(=O)C(F)OC1CC1 94c45270fa68d3f441203320255f3431 [0,1,0,1,0,0|2,0,0]=4 3037 B9R1.112 O=C(O)C(F)NC1CC1 ab0cb5dbff8f96a53d4ab238afd2e5b2 [0,1,0,1,0,0|1,0,0]=3 3038 B9R1.112 O=C(O)C(O)NC1CC1 5879b8d2b4559669899973f84acbc223 [0,1,0,1,0,0|1,0,0]=3 3039 B9R1.112 O=C(O)[C@H](F)NC1CC1 2357739b82c4749fceebf72401d17ad2 [0,1,0,1,0,0|1,0,0]=3 3040 B9R1.179 CCNC1(CC1)C(=O)N e593d1881c6d607250b3c7550aeff4fd [0,1,0,1,0,0|2,0,0]=4 3041 B9R1.179 CCNC1(CC1)C(=O)O 1cafb4c96edddb896ab28b54eff680f2 [0,1,0,1,0,0|1,0,0]=3 3042 B9R1.179 O=C(O)C1(CC1)NCF b533b440962bae39cc6c8a18b2abc8df [0,1,0,1,0,0|2,0,0]=4 3043 B9R1.179 O=C(O)C1(CC1)NCO af15281f3dcfcc5aef6f47c67b1bcbcb [0,1,0,1,0,0|2,0,0]=4 3044 B9R1.116 CCN(C(=O)C)C1CC1 adf3bae0c69d176b44948d48f82bf8cc [0,1,0,1,0,0|2,0,0]=4 3045 B9R1.67 CC(C)N[C@H]1CNC1=O 3974b22a7367872daaa4f688eda0456a [0,1,0,1,0,0|2,0,0]=4 3046 B9R1.67 CC(C)OC1CCC1=O 11e32319af5fad4b832da68a85d1c646 [0,1,0,1,0,0|2,0,0]=4 3047 B9R1.164 CC(=O)N1CC(C1)(C)C f18c22bebfcab65f460227a573465f7b [0,1,0,1,0,0|2,0,0]=4 3048 B9R1.164 CC(=O)N1CC(C1)(C)O 7b2fe8896654a3a11184202c1e270a66 [0,1,0,1,0,0|2,0,0]=4 3049 B9R0.48 C#CCC(C)OCC(=O)O 0835f7b07d3faca22337f7063acadc83 [0,0,0,0,0,2|0,0,2]=4 3050 B9R0.48 C/C=C/C(C)OCC(=O)O faebc3261e3a36af1d31713fdea4082c [0,0,0,0,0,2|0,0,2]=4 3051 B9R0.48 C=C(Br)CNC(C)CCC d1e87f5542f2307e864af5084642a423 [0,0,0,0,0,2|2,0,0]=4 3052 B9R0.48 C=C(Br)CN[C@@H](C)CCC 026742ec5a83c2ea5c7cdd96b7bf8515 [0,0,0,0,0,2|2,0,0]=4 3053 B9R0.48 C=C(Br)COC(C)CCC 9b42c71e18ddb5f1df0cfed1380fbc1d [0,0,0,0,0,2|2,0,0]=4 3054 B9R0.48 C=C(Br)CO[C@@H](C)CCC f5dbba56577b47c8139533bef64e6a47 [0,0,0,0,0,2|2,0,0]=4 3055 B9R0.48 C=C(Br)CO[C@H](C)CCC 31129fd17e5635d40c40e1dca48175e1 [0,0,0,0,0,2|2,0,0]=4 3056 B9R0.48 C=C(C)CNC(C)CCC 249a59065d0d74ced558dc9c9dc4f202 [0,0,0,0,0,2|2,0,0]=4 3057 B9R0.48 C=C(C)CN[C@@H](C)CCC fd09b17b6eab62ae3b8eb3ec9d6279f3 [0,0,0,0,0,2|2,0,0]=4 3058 B9R0.48 C=C(C)COC(C)CCC 8a712e3f999a984623a12b3e185e16f6 [0,0,0,0,0,2|2,0,0]=4 3059 B9R0.48 C=C(C)CO[C@@H](C)CCC e17237a765f8d2f7515c764ae18eed6b [0,0,0,0,0,2|2,0,0]=4 3060 B9R0.48 C=C(C)CO[C@H](C)CCC c07382948aa51118d6a02318fd89a90c [0,0,0,0,0,2|2,0,0]=4 3061 B9R0.48 C=C(Cl)CNC(C)CCC 439f29525e9ac53db46e03cff08e57cc [0,0,0,0,0,2|2,0,0]=4 3062 B9R0.48 C=C(Cl)CN[C@@H](C)CCC 5b1f9afd10517d211188dba56c2833fa [0,0,0,0,0,2|2,0,0]=4 3063 B9R0.48 C=C(Cl)COC(C)CCC 4469f239e88e997d5230d6906915a264 [0,0,0,0,0,2|2,0,0]=4 3064 B9R0.48 C=C(Cl)CO[C@@H](C)CCC 847077f2e15a78bac2a4d70b1ea7e8fa [0,0,0,0,0,2|2,0,0]=4 3065 B9R0.48 C=C(Cl)CO[C@H](C)CCC ff9eb95f7bb39ecffad9190ef32d24a9 [0,0,0,0,0,2|2,0,0]=4 3066 B9R0.48 C=C(I)COC(C)CCC 7041f181646a6f58588ec8a65571cde0 [0,0,0,0,0,2|2,0,0]=4 3067 B9R0.48 C=CCC(C)OCC(=O)O d4c2db20e21f45057095c6dd9b09bcfe [0,0,0,0,0,2|0,0,2]=4 3068 B9R0.48 C=CC[C@@H](C)OCC(=O)O e1ec2ca024444d722f0b6bd34535e0cd [0,0,0,0,0,2|0,0,2]=4 3069 B9R0.48 C=CC[C@H](C)OCC(=O)O 6ea8726abd2765890e4fcb26b01386e0 [0,0,0,0,0,2|0,0,2]=4 3070 B9R0.48 CC#CC(C)OCC(=O)O e813873701cea8517348ce7a075a23bc [0,0,0,0,0,2|0,0,2]=4 3071 B9R0.48 CC(=O)CNC(C)CCO 9e95fc34e5592f78b50834034d3bee25 [0,0,0,0,0,2|2,0,0]=4 3072 B9R0.48 CC(=O)NCC(C)CCO e9136906ce0994bcda960f696063f2a9 [0,0,0,0,0,2|2,0,0]=4 3073 B9R0.48 CC(CC#N)NCC(=O)O 69fba03fb5560f26359cbab13b359b1e [0,0,0,0,0,2|1,0,1]=4 3074 B9R0.48 CC(CC#N)OCC(=O)O 70ee78feb9ab6a3020a3affabc75ae0e [0,0,0,0,0,2|1,0,1]=4 3075 B9R0.48 CC(CCC(=O)O)NCF a92d39df8a126f0852271a9b340958b4 [0,0,0,0,0,2|2,0,0]=4 3076 B9R0.48 CC(CCC(=O)O)OCF 8a850024bcf506861cc56e2f4b203d76 [0,0,0,0,0,2|2,0,0]=4 3077 B9R0.48 CC(CCO)NCC(=O)N ee855d8cbfe47d902f4e0ecbc66af7f8 [0,0,0,0,0,2|2,0,0]=4 3078 B9R0.48 CC(CCO)NCC(=O)O facbaef0695b9d4fe56ffc8af771a40f [0,0,0,0,0,2|1,0,0]=3 3079 B9R0.48 CC=CC(C)OCC(=O)O 4f9396fcfa89905cdd40c7dc857f21fd [0,0,0,0,0,2|0,0,2]=4 3080 B9R0.48 CCCC(=S)OCC(=O)O 1c62169da41f2cb2acdc293fd6559f2d [0,0,0,0,0,2|1,0,1]=4 3081 B9R0.48 CCCC(C)NCC(=O)C 6b8217a6e509e4e9ac7eac79852a2211 [0,0,0,0,0,2|1,0,0]=3 3082 B9R0.48 CCCC(C)NCC(=O)N c7599e8ca497fbac7099aebf1f0f8aac [0,0,0,0,0,2|1,0,0]=3 3083 B9R0.48 CCCC(C)NCC(=O)O cc1e9c4996e6fef62cc1269e902e2107 [0,0,0,0,0,2|0,0,0]=2 3084 B9R0.48 CCCC(C)NCC(C)O 47ca46de854bc307afa51b274d820e99 [0,0,0,0,0,2|1,0,1]=4 3085 B9R0.48 CCCC(C)NC[C@@H](C)O dd3e1e5a99d06357b215baaa3e655fbd [0,0,0,0,0,2|1,0,1]=4 3086 B9R0.48 CCCC(C)NC[C@H](C)O 9331ecd30e898992036bbad5faca0440 [0,0,0,0,0,2|1,0,1]=4 3087 B9R0.48 CCCC(C)NC[N+](=O)[O-] fec979aa2692a5b6c311cad8c0dbbc6c [0,0,0,0,0,2|1,0,1]=4 3088 B9R0.48 CCCC(C)OCC(=O)C 1cb96080ad3b5f1e9dd4a42dcc86b0a0 [0,0,0,0,0,2|1,0,0]=3 3089 B9R0.48 CCCC(C)OCC(=O)N 7e6999709f4494a1ecc876c304501582 [0,0,0,0,0,2|1,0,0]=3 3090 B9R0.48 CCCC(C)OCC(=O)O 841e752dc9ac365809a80143d547b4ea [0,0,0,0,0,2|0,0,0]=2 3091 B9R0.48 CCCC(C)OCC(=S)N 53e4836c2da53eec93819a42a5b417e0 [0,0,0,0,0,2|1,1,0]=4 3092 B9R0.48 CCCC(C)OCS(=O)O 5fd3c2b57cde05de71deaa29073d7460 [0,0,0,0,0,2|1,0,0]=3 3093 B9R0.48 CCCC(C)OC[N+](=O)[O-] 46ae41b33890caee55b9c81d88ba1802 [0,0,0,0,0,2|1,0,1]=4 3094 B9R0.48 CCCC(O)CNC(=O)C 5b570a4d674c9d38425ae4777e887a42 [0,0,0,0,0,2|2,0,0]=4 3095 B9R0.48 CCCN(C)CCC(=O)C b29483cd50605788c7eef5f63dcb49c2 [0,0,0,0,0,2|2,0,0]=4 3096 B9R0.48 CCCN(C)CCC(=O)N df69e561042543f03748d6be46a7cd9c [0,0,0,0,0,2|2,0,0]=4 3097 B9R0.48 CCCN(C)CCC(=O)O c326725f005578bca676b9f1f6f13638 [0,0,0,0,0,2|1,0,0]=3 3098 B9R0.48 CCCN(C)COC(=O)C 0353bc7482d98b3c935ad94681e2352d [0,0,0,0,0,2|2,0,0]=4 3099 B9R0.48 CCCN(C)CSC(=O)N ac12b7ae18653dba20b50f3ea6b2b656 [0,0,0,0,0,2|2,0,0]=4 3100 B9R0.48 CCC[C@@H](C)OCC(=O)N c33601ccdbc26af4c94de37ccd60dbb7 [0,0,0,0,0,2|1,0,0]=3 3101 B9R0.48 CCC[C@@H](C)OCC(=O)O 51c501112f8d973994eff73221ed5619 [0,0,0,0,0,2|0,0,0]=2 3102 B9R0.48 CCC[C@@H](C)OC[N+](=O)[O-] 037447bd914f940e773e9ae4eec2b2c8 [0,0,0,0,0,2|1,0,1]=4 3103 B9R0.48 CCC[C@H](C)NCC(=O)N 2f193e4895d45290d1e4c025c650c03f [0,0,0,0,0,2|1,0,0]=3 3104 B9R0.48 CCC[C@H](C)NCC(=O)O e4aa324610e7a29c03d24a187e7b9bea [0,0,0,0,0,2|0,0,0]=2 3105 B9R0.48 CCC[C@H](C)NCC(C)O 564c6afcec40669a3c18d484e9d625f8 [0,0,0,0,0,2|1,0,1]=4 3106 B9R0.48 CCC[C@H](C)NC[C@@H](C)O f8f56b630d6b9084881f1dc1c9f6ac45 [0,0,0,0,0,2|1,0,1]=4 3107 B9R0.48 CCC[C@H](C)NC[C@H](C)O a434bea59043bb2c05076edff7a7581d [0,0,0,0,0,2|1,0,1]=4 3108 B9R0.48 CCC[C@H](C)NC[N+](=O)[O-] 5a5a7758cb713843e598c06054fa95a6 [0,0,0,0,0,2|1,0,1]=4 3109 B9R0.48 CCC[C@H](C)OCC(=O)N 838feb7f628304bf0a6aa0910dbfc330 [0,0,0,0,0,2|1,0,0]=3 3110 B9R0.48 CCC[C@H](C)OCC(=O)O 21190ebbab7da0abc6514346eed4dcf5 [0,0,0,0,0,2|0,0,0]=2 3111 B9R0.48 CCC[C@H](C)OC[N+](=O)[O-] c885816113158913d765d3fd15d0fea0 [0,0,0,0,0,2|1,0,1]=4 3112 B9R0.48 CCNC(C)CCC(=O)O 7dbe459581ff5b66cbefd9a1d696ad43 [0,0,0,0,0,2|1,0,0]=3 3113 B9R0.48 CCN[C@@H](C)CCC(=O)O c2d632f7e33174af2c524d9023ca075b [0,0,0,0,0,2|1,0,0]=3 3114 B9R0.48 CCOC(C)CCC(=O)O 31641a6cc61a92f98818e768ef37979d [0,0,0,0,0,2|1,0,0]=3 3115 B9R0.48 CCOC(C)CNC(=O)C 217fca33332c664f1a507b96c62f402a [0,0,0,0,0,2|2,0,0]=4 3116 B9R0.48 CCOC(C)COC(=O)C 9e93393c063eba810753fb5603d4fc7e [0,0,0,0,0,2|2,0,0]=4 3117 B9R0.48 CN(CCF)CCC(=O)O 98b30d2a6b798aa5402f2613938994ad [0,0,0,0,0,2|2,0,0]=4 3118 B9R0.48 CN(CCO)CCC(=O)O dff5f325047c0f022e242f8ab09a0166 [0,0,0,0,0,2|2,0,0]=4 3119 B9R0.48 CN(CCS)CCC(=O)O 834e8dabd4decc6fedd4ae2dee1a1dfb [0,0,0,0,0,2|2,0,0]=4 3120 B9R0.48 COCC(C)NCC(=O)C 66428d1fbec130ffc6abd2b2b4184289 [0,0,0,0,0,2|2,0,0]=4 3121 B9R0.48 COCC(C)NCC(=O)N 2a85402add89b33d09cee582d974122e [0,0,0,0,0,2|2,0,0]=4 3122 B9R0.48 COCC(C)NCC(=O)O e01666d87959623998976d0fafabe1b4 [0,0,0,0,0,2|1,0,0]=3 3123 B9R0.48 COCC(C)OCC(=O)C ace81521640f8e9505293b44aa1ed37f [0,0,0,0,0,2|2,0,0]=4 3124 B9R0.48 COCC(C)OCC(=O)N 7d04affdce90658a1e1f9af9f91e8fcc [0,0,0,0,0,2|2,0,0]=4 3125 B9R0.48 COCC(C)OCC(=O)O af12d17716abae98c4b6439f05d9b8db [0,0,0,0,0,2|1,0,0]=3 3126 B9R0.48 COCC(C)OCS(=O)O 8e0f3d4aa3af6e49675c6678bb54e2f6 [0,0,0,0,0,2|2,0,0]=4 3127 B9R0.48 COCN(C)CCC(=O)O 0303bd9b3e27ba66031eea0a93003c39 [0,0,0,0,0,2|2,0,0]=4 3128 B9R0.48 COC[C@@H](C)NCC(=O)N 19cec0a0d7c311317a88ea4dd58f1b22 [0,0,0,0,0,2|2,0,0]=4 3129 B9R0.48 COC[C@@H](C)NCC(=O)O e8166a8a6f9778cdf58111f239ebd7ae [0,0,0,0,0,2|1,0,0]=3 3130 B9R0.48 COC[C@@H](C)OCC(=O)N 0de9ccc6f20a88c5b21b25c17c729130 [0,0,0,0,0,2|2,0,0]=4 3131 B9R0.48 COC[C@@H](C)OCC(=O)O 98562fabe6feb10b85b2a34b6a556f9c [0,0,0,0,0,2|1,0,0]=3 3132 B9R0.48 COC[C@H](C)NCC(=O)N 38f4aae9a8b29f292cc33528055c603b [0,0,0,0,0,2|2,0,0]=4 3133 B9R0.48 COC[C@H](C)NCC(=O)O 6115e49dc0a4f10f9f15c2b7faed79c6 [0,0,0,0,0,2|1,0,0]=3 3134 B9R0.48 COC[C@H](C)OCC(=O)N dd66be63f36dd9f2bb1c38aa8a13e8db [0,0,0,0,0,2|2,0,0]=4 3135 B9R0.48 COC[C@H](C)OCC(=O)O 3f04353f9edb1d4c983cf07f5d5e3249 [0,0,0,0,0,2|1,0,0]=3 3136 B9R0.48 CSCC(C)OCC(=O)N 6815567749759bca3910689394e3339c [0,0,0,0,0,2|2,0,0]=4 3137 B9R0.48 CSCC(C)OCC(=O)O 55d35686540ec9ccedd07c412d0e4191 [0,0,0,0,0,2|1,0,0]=3 3138 B9R0.48 CSCN(C)CCC(=O)O 014d9e48ffe569c3e580b87ffc15fcd1 [0,0,0,0,0,2|2,0,0]=4 3139 B9R0.48 C[C@@H](CC#N)OCC(=O)O 8221ae7fefced7c44c448304bb0cf294 [0,0,0,0,0,2|1,0,1]=4 3140 B9R0.48 C[C@@H](CCC(=O)O)NCF b06f766ae4850f0433b3999a4509184a [0,0,0,0,0,2|2,0,0]=4 3141 B9R0.48 C[C@@H](CCO)NCC(=O)N ce9017a5837179665e14eb055febb119 [0,0,0,0,0,2|2,0,0]=4 3142 B9R0.48 C[C@@H](CCO)NCC(=O)O e3de9f2ceaa95fe96caa8265de6dee4c [0,0,0,0,0,2|1,0,0]=3 3143 B9R0.48 C[C@H](CC#N)OCC(=O)O 8b21be68c80128a2aeb313ea629aed62 [0,0,0,0,0,2|1,0,1]=4 3144 B9R0.48 C[C@H](CCO)NCC(=O)N b5d7ad76dea80bd36b6380bd7b31cf62 [0,0,0,0,0,2|2,0,0]=4 3145 B9R0.48 C[C@H](CCO)NCC(=O)O a393ad11daa1ce12621ddeee9e978586 [0,0,0,0,0,2|1,0,0]=3