0 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [0,0,0,0,0,0|3,0,0]=3 1 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 CCN(C)CF f1609b6f0307b235e83ada8bb1f6ec70 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 CCNC#N d0f03dd102d2d8b7abe705087df6ba79 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.1 C#CC(C)NCC 85cc62c068fe8347941753880600425b [0,1,0,0,0,0|1,0,2]=4 6 B6R0.1 C#CC(C)OCC 788c44cbb46959d6943b8cac1e896fa7 [0,1,0,0,0,0|1,0,2]=4 7 B6R0.1 C#C[C@@H](C)NCC 500769c3a32c8a4fe4bacf70b2bb6f30 [0,1,0,0,0,0|1,0,2]=4 8 B6R0.1 C#C[C@@H](C)OCC c7465ab1da07bbdf42877ee57642c1cd [0,1,0,0,0,0|1,0,2]=4 9 B6R0.1 C#C[C@H](C)NCC 996961b9a4ddcbb2cfb9dcd81ac9d63f [0,1,0,0,0,0|1,0,2]=4 10 B6R0.1 C#C[C@H](C)OCC e1b8dec53e104261dd95078ad7e6d539 [0,1,0,0,0,0|1,0,2]=4 11 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.1 C=CC(C)NC#N 2a7109b4baa8d6cba377db19db0fc72f [0,1,0,0,0,0|2,0,1]=4 13 B6R0.1 C=CC(C)NC=O ea3bd8a0f1437d84f5ea96318c16e9bd [0,1,0,0,0,0|2,0,1]=4 14 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [0,1,0,0,0,0|1,0,0]=2 15 B6R0.1 C=CC(C)NCF fcb68bb0ad98322ede2090ffb8982d5c [0,1,0,0,0,0|2,0,0]=3 16 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [0,1,0,0,0,0|2,0,0]=3 17 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [0,1,0,0,0,0|1,0,0]=2 18 B6R0.1 C=CC(C)OCF 703d6773683044b537087d8c1dd5b1e2 [0,1,0,0,0,0|2,0,0]=3 19 B6R0.1 C=CCN(C)CC 66590de6b708bb2b2b2945a656dd0b8f [0,1,0,0,0,0|2,0,0]=3 20 B6R0.1 C=CCN(C)CF 7e02e3a96da7141f47b832fca75c32a8 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.1 C=CCN(C)CO e638b434bf874996eb81f2689695f38f [0,1,0,0,0,0|3,0,0]=4 22 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [0,1,0,0,0,0|1,0,0]=2 23 B6R0.1 C=C[C@H](C)OCF c364441950765d3e5b6d38d7dfe0e6ea [0,1,0,0,0,0|2,0,0]=3 24 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [0,1,0,0,0,0|3,0,0]=4 25 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [0,1,0,0,0,0|3,0,0]=4 26 B6R0.1 CCC(C)NC#N c755bc17a86225b89fbcb7b323cbfbb8 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [0,1,0,0,0,0|2,0,0]=3 28 B6R0.1 CCC(C)NCF cd789606d14d277b4095dc11d6d1f629 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,1,0,0,0,0|3,0,0]=4 32 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [0,1,0,0,0,0|2,0,1]=4 33 B6R0.1 CCNC(C)C#N c11bb97931a96bb8667e2c19bb27e47b [0,1,0,0,0,0|2,0,1]=4 34 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [0,1,0,0,0,0|1,0,2]=4 35 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [0,1,0,0,0,0|2,0,1]=4 36 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [0,1,0,0,0,0|1,0,2]=4 37 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [0,1,0,0,0,0|1,0,2]=4 39 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [0,1,0,0,0,0|1,0,2]=4 42 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [0,1,0,0,0,0|2,0,1]=4 44 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [0,1,0,0,0,0|1,0,2]=4 45 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [0,1,0,0,0,0|1,0,2]=4 46 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [0,1,0,0,0,0|2,0,0]=3 48 B6R0.1 CC[C@@H](C)NCF 6dbb95a50e3976893bdb1627db012fbb [0,1,0,0,0,0|2,0,1]=4 49 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [0,1,0,0,0,0|2,0,0]=3 52 B6R0.1 CC[C@H](C)NCF 5d430afc33b47de08bdee5a967987e85 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [0,1,0,0,0,0|2,0,1]=4 55 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,1,0,0,0,0|3,0,0]=4 57 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [0,1,0,0,0,0|3,0,0]=4 59 B6R0.3 CC(C)N(C)C=O ed819c6af0078a1de69f07f4fd8d9ee5 [0,1,0,0,0,0|3,0,0]=4 60 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,1,0,0,0,0|2,0,1]=4 61 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [0,0,0,1,0,0|3,0,0]=4 62 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,1,0,0,0,0|1,0,1]=4 63 B5R0.2 C#CCNCC b7f456a7c0046d69162917c7df90472c [1,1,0,0,0,0|0,0,2]=4 64 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [1,1,0,0,0,0|0,0,2]=4 65 B5R0.2 C=CCNC#N e8c6da75dd11dcee984b80ea6a85e924 [1,1,0,0,0,0|1,0,1]=4 66 B5R0.2 CCCNC#N e55413a0eea711c89a0029efe46eb0b1 [1,1,0,0,0,0|1,0,1]=4 67 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,1,0,0,0,0|1,0,0]=3 68 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,1,0,0,0,0|0,0,2]=4 69 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,1,0,0,0,0|1,0,1]=4 70 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,1,0,0,0,0|1,0,1]=4 71 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,1,0,0,0,0|0,0,2]=4 72 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,1,0,0,0,0|1,0,1]=4 73 B5R0.2 CCNCC#N 8afea2f1bf8bfbfa2907ffe05f260d21 [1,1,0,0,0,0|1,0,1]=4 74 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [1,1,0,0,0,0|1,0,1]=4 75 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [1,1,0,0,0,0|1,0,1]=4 76 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [1,1,0,0,0,0|1,0,1]=4 77 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,1,0,0,0,0|1,0,1]=4 79 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [1,1,0,0,0,0|1,0,1]=4 80 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,1,0,0,0,0|1,0,1]=4 82 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,1,0,0,0,0|1,0,1]=4 83 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [1,1,0,0,0,0|2,0,0]=4 84 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [1,1,0,0,0,0|2,0,0]=4 86 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,1,0,0,0,0|2,0,0]=4 87 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,1,0,0,0,0|2,0,0]=4 88 B7R0.2 C=C(Br)CN(C)CC a95e900b3ccec6668bc411630f5decf3 [0,2,0,0,0,0|2,0,0]=4 89 B7R0.2 C=C(C)CN(C)CC f46aa4737385fde5ecca127cfe0fb11b [0,2,0,0,0,0|2,0,0]=4 90 B7R0.2 C=C(Cl)CN(C)CC 85a42652568d865a3db0ed61404dde1c [0,2,0,0,0,0|2,0,0]=4 91 B7R0.2 C=CC(C)NC(=O)C da0f45e746fe5ddfb85b752dba1a7d5c [0,2,0,0,0,0|1,0,1]=4 92 B7R0.2 C=CC(C)NC(C)C 538c1af40a959f36dd21007158f94b60 [0,2,0,0,0,0|1,0,0]=3 93 B7R0.2 C=CC(C)OC(C)C 532c4624b978961a1c4eda7e3050b228 [0,2,0,0,0,0|1,0,0]=3 94 B7R0.2 C=C[C@H](C)OC(C)C 0e0bab0a84cd6e94202f911cf430b03e [0,2,0,0,0,0|1,0,0]=3 95 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [0,2,0,0,0,0|1,0,1]=4 98 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [0,2,0,0,0,0|1,0,1]=4 99 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [0,2,0,0,0,0|1,0,1]=4 100 B7R0.3 C#CCNC(C)C=C d8b354c113299f6016f99071889ca40d [0,2,0,0,0,0|1,0,1]=4 101 B7R0.3 C#CCOC(C)C=C e6ff6e85d796cdae2d545ee222db4a28 [0,2,0,0,0,0|1,0,1]=4 102 B7R0.3 C#CCO[C@@H](C)C=C 48a89e2f373160fd6c17148e75feea17 [0,2,0,0,0,0|1,0,1]=4 103 B7R0.3 C/C=C/CN(C)CC a833def0c5a9483904429a6d4fa647bf [0,2,0,0,0,0|2,0,0]=4 104 B7R0.3 C/C=C\CN(C)CC 0d52835f1d4ec546901139cc9ef0efe3 [0,2,0,0,0,0|2,0,0]=4 105 B7R0.3 C=CC(=O)NCCBr e6f6b86f13e8187fabc94be948b883a9 [0,2,0,0,0,0|0,0,2]=4 106 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,2,0,0,0,0|0,0,2]=4 107 B7R0.3 C=CC(=O)NCCF 603b2638e9cfb8f5ec21de15aad5486a [0,2,0,0,0,0|0,0,2]=4 108 B7R0.3 C=CC(=O)NCCI 3eb791874c2ca04ded681849c87dc345 [0,2,0,0,0,0|0,0,2]=4 109 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [0,2,0,0,0,0|0,0,2]=4 110 B7R0.3 C=CC(=O)NCCS 9889ebe2d1bfba26b1d473fa334f8376 [0,2,0,0,0,0|0,0,2]=4 111 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [0,2,0,0,0,0|1,0,0]=3 112 B7R0.3 C=CC(C)COCF 94166e7d56c97db7f73328a301d86af6 [0,2,0,0,0,0|1,0,0]=3 113 B7R0.3 C=CC(C)NCC#N 1b5b3f0a2e623d05694422618a44cc9e [0,2,0,0,0,0|1,0,1]=4 114 B7R0.3 C=CC(C)NCC=O 39b14e3f69e0eb05b9593b7c40c09aad [0,2,0,0,0,0|1,0,1]=4 115 B7R0.3 C=CC(C)NCCBr b356883a0dc70704108470357c5d7d32 [0,2,0,0,0,0|1,0,0]=3 116 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [0,2,0,0,0,0|1,0,0]=3 117 B7R0.3 C=CC(C)NCCF 077bbc22cd0a8dcb78cded6a2db45aa7 [0,2,0,0,0,0|1,0,0]=3 118 B7R0.3 C=CC(C)NCCI ac7ae81e417980ca8ecb87af514042e3 [0,2,0,0,0,0|1,0,0]=3 119 B7R0.3 C=CC(C)NCCO 86960b6d278df2bdab9b0f12b5036032 [0,2,0,0,0,0|1,0,0]=3 120 B7R0.3 C=CC(C)NCCS f0ada7e973c6d56f24d465f4dbaba074 [0,2,0,0,0,0|1,0,0]=3 121 B7R0.3 C=CC(C)NCOC d8682dad21d615dadf36671471b4c9fe [0,2,0,0,0,0|1,0,0]=3 122 B7R0.3 C=CC(C)NCSC 00b0f67e17f5d1856f1ea6c73d24d2b6 [0,2,0,0,0,0|1,0,0]=3 123 B7R0.3 C=CC(C)OCC#N 87e0eff24f93b5f1a0aea138d5825835 [0,2,0,0,0,0|1,0,1]=4 124 B7R0.3 C=CC(C)OCC=O cb8ab1e26c946580cb2eacb238eceadb [0,2,0,0,0,0|1,0,1]=4 125 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [0,2,0,0,0,0|1,0,0]=3 126 B7R0.3 C=CC(C)OCCF c4042df7cc19bde943cbddaef845e060 [0,2,0,0,0,0|1,0,0]=3 127 B7R0.3 C=CC(C)OCCS 678429951381d6b0018777cbf0867dfc [0,2,0,0,0,0|1,0,0]=3 128 B7R0.3 C=CC(C)OCOC 7dfff84d56617c217e04946b11681e6b [0,2,0,0,0,0|1,0,0]=3 129 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [0,2,0,0,0,0|1,0,0]=3 130 B7R0.3 C=CC(O)CNC=O f2c9977b6c02b5fa6463f931ed217f56 [0,2,0,0,0,0|0,0,1]=3 131 B7R0.3 C=CC(O)CNCC 6606560bfc6ac678a6e77f699b5ea9b4 [0,2,0,0,0,0|0,0,0]=2 132 B7R0.3 C=CC(O)CNCF 45fea0cdfc9533f811af25c5a7464b1f [0,2,0,0,0,0|0,0,0]=2 133 B7R0.3 C=CC(O)CNCO 3d7c6c2844077ac45767c2f09e74a1be [0,2,0,0,0,0|0,0,0]=2 134 B7R0.3 C=CCCN(C)CC 224a5773b1b84beacfc8f44066799c60 [0,2,0,0,0,0|2,0,0]=4 135 B7R0.3 C=CCNC(C)C=C 643449ce57adfb0e4dd3cbf4c6e5eff3 [0,2,0,0,0,0|1,0,1]=4 136 B7R0.3 C=CCNC(C)CC d45d48be61d418ef3d95cad9c5582bbe [0,2,0,0,0,0|1,0,0]=3 137 B7R0.3 C=CCNC(C)CO a948e20f9bd4754ec87302b6fdce81b3 [0,2,0,0,0,0|2,0,0]=4 138 B7R0.3 C=CCN[C@@H](C)CC c610fd310f1909b965f637191eeb2b15 [0,2,0,0,0,0|1,0,0]=3 139 B7R0.3 C=CCN[C@@H](C)CO e3ac2dff9fa8b94ad1bb6f4b16ad0799 [0,2,0,0,0,0|2,0,0]=4 140 B7R0.3 C=CCN[C@H](C)CC 0c789cf00460bd8cdb23c51009c4742c [0,2,0,0,0,0|1,0,0]=3 141 B7R0.3 C=CCN[C@H](C)CO 45438ab57072f0e042c82a4659374125 [0,2,0,0,0,0|2,0,0]=4 142 B7R0.3 C=CCOC(C)C=C a1650d51ca3c5bc9bbb4242a057bd09a [0,2,0,0,0,0|1,0,1]=4 143 B7R0.3 C=CCOC(C)CC 787a9267d8fe014db706087d78f6c857 [0,2,0,0,0,0|1,0,0]=3 144 B7R0.3 C=CCOC(C)CF fb11bf0cefab4ea0e38b93cfcee01743 [0,2,0,0,0,0|2,0,0]=4 145 B7R0.3 C=CCOC(C)CS 0ddb9af989e9e9c33b24b66863a996b5 [0,2,0,0,0,0|2,0,0]=4 146 B7R0.3 C=CCO[C@@H](C)C=C 346d3a0f77fdd9102666716758056241 [0,2,0,0,0,0|1,0,1]=4 147 B7R0.3 C=CCO[C@@H](C)CC b304fc3faf864b09563f01310febaac7 [0,2,0,0,0,0|1,0,0]=3 148 B7R0.3 C=CCO[C@H](C)CC 15018d65de2076ec221d9660c184c296 [0,2,0,0,0,0|1,0,0]=3 149 B7R0.3 C=CCO[C@H](C)CS fd43ed19bf853317b3a063b2977abf8d [0,2,0,0,0,0|2,0,0]=4 150 B7R0.3 C=C[C@H](C)OCC#N 87ed494e61b6a628355bc93049d8b261 [0,2,0,0,0,0|1,0,1]=4 151 B7R0.3 C=C[C@H](C)OCC=O 1b1ed3039c6605fda21f2d5059ac888e [0,2,0,0,0,0|1,0,1]=4 152 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [0,2,0,0,0,0|1,0,0]=3 153 B7R0.3 C=C[C@H](C)OCCF 7f042cd75a5ba0def48be8560ce23a60 [0,2,0,0,0,0|1,0,0]=3 154 B7R0.3 C=C[C@H](C)OCCS db8d09200d0a97bd0c688972016cc7f4 [0,2,0,0,0,0|1,0,0]=3 155 B7R0.3 C=C[C@H](C)OCOC 7f6d09d69f15e79837c2da39f85862eb [0,2,0,0,0,0|1,0,0]=3 156 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [0,2,0,0,0,0|1,0,0]=3 157 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [0,2,0,0,0,0|2,0,0]=4 158 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [0,2,0,0,0,0|2,0,0]=4 159 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [0,2,0,0,0,0|2,0,0]=4 160 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [0,2,0,0,0,0|2,0,0]=4 161 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [0,2,0,0,0,0|2,0,0]=4 162 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [0,2,0,0,0,0|2,0,0]=4 163 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [0,2,0,0,0,0|2,0,0]=4 164 B7R0.3 CCC(C)CNC=O ebd419a28eb79e00a55acb30bf712ff2 [0,2,0,0,0,0|1,0,1]=4 165 B7R0.3 CCC(C)NCC=O 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[0,2,0,0,0,0|2,0,0]=4 178 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [0,2,0,0,0,0|0,0,2]=4 179 B7R0.3 CCNCC(O)CO 912f6e9829a436a31980d4e7e51ccc17 [0,2,0,0,0,0|1,0,1]=4 180 B7R0.3 CCNC[C@@H](O)CO 3dd3012db0550f06ef7a0ae24c6afc49 [0,2,0,0,0,0|1,0,1]=4 181 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [0,2,0,0,0,0|0,0,2]=4 182 B7R0.3 CCNC[C@H](O)CO f2bf6c02d84b0a754d29868d7e541576 [0,2,0,0,0,0|1,0,1]=4 183 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [0,2,0,0,0,0|1,0,1]=4 184 B7R0.3 CC[C@@H](C)OCC=O fcdaaaea8501897d08b7daa2ec02db5c [0,2,0,0,0,0|1,0,1]=4 185 B7R0.3 CC[C@@H](O)CNC=O 35e0b928eef0050ada3a4c2a6cc4db4c [0,2,0,0,0,0|0,0,1]=3 186 B7R0.3 CC[C@@H](O)CNCF 7d1b814c6cda97ec1056049a0891a12c [0,2,0,0,0,0|0,0,2]=4 187 B7R0.3 CC[C@@H](O)CNCO 3c3de5c9d0ff6c16983c8a1b36ce8a94 [0,2,0,0,0,0|0,0,2]=4 188 B7R0.3 CC[C@H](C)CNC=O 8ddf4a7afc076d1492904a4e2d1a92ee [0,2,0,0,0,0|1,0,1]=4 189 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [0,2,0,0,0,0|1,0,1]=4 190 B7R0.3 CC[C@H](C)OCC=O 1749dffdbae3c22c50ca54c1db5fd2b4 [0,2,0,0,0,0|1,0,1]=4 191 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [0,2,0,0,0,0|2,0,0]=4 192 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [0,2,0,0,0,0|2,0,0]=4 193 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [0,2,0,0,0,0|2,0,0]=4 194 B7R0.3 C[C@H](C=O)NCCBr 1c88aafc7cf0e6ecf5a695c971d96c26 [0,2,0,0,0,0|2,0,0]=4 195 B7R0.3 C[C@H](C=O)NCCF 312336c63755d0cb499e935eb3842567 [0,2,0,0,0,0|2,0,0]=4 196 B7R0.3 C[C@H](C=O)NCCI 365ac184287fbb3cff12bb64cb86f31d [0,2,0,0,0,0|2,0,0]=4 197 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [0,2,0,0,0,0|2,0,0]=4 198 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [0,2,0,0,0,0|2,0,0]=4 199 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [0,2,0,0,0,0|2,0,0]=4 200 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [0,2,0,0,0,0|2,0,0]=4 201 B7R0.3 O=CNCC(O)CO f07ee978b5361099ae5463db2d8284c6 [0,2,0,0,0,0|1,0,1]=4 202 B7R0.3 O=CNC[C@@H](O)CO 4afeec0bbb868f60f0a97c37149bb7ed [0,2,0,0,0,0|1,0,1]=4 203 B7R0.3 O=CNC[C@H](O)CO bac710e216d9ff7e3114b1f469852b76 [0,2,0,0,0,0|1,0,1]=4 204 B7R0.3 OCC(O)CNCF 54971f62d7287b56e74fe02f927edb77 [0,2,0,0,0,0|1,0,1]=4 205 B7R0.3 OCNCC(O)CO ad4847d74dfd25e9300f25de22da97d8 [0,2,0,0,0,0|1,0,1]=4 206 B7R0.3 OCNC[C@@H](O)CO 6469a515a17b686ce644b12380429cda [0,2,0,0,0,0|1,0,1]=4 207 B7R0.3 OCNC[C@H](O)CO 89675afb1a2671c32b6a45a2d43885a6 [0,2,0,0,0,0|1,0,1]=4 208 B7R0.3 OC[C@@H](O)CNCF 1a0547f242500a499661bc379e80c14b [0,2,0,0,0,0|1,0,1]=4 209 B7R0.3 OC[C@H](O)CNCF 46f2aba6770b910f7cb8b43985603267 [0,2,0,0,0,0|1,0,1]=4 210 B7R0.5 C=CCN(C)C(C)C 96de01368c533ec0e3507154958af2ed [0,2,0,0,0,0|2,0,0]=4 211 B7R0.5 CC(C)C(C)NC=O 4e819ff0160e7ed0f2ff22f1b3980c8f [0,2,0,0,0,0|2,0,0]=4 212 B7R0.5 CC(C)[C@@H](C)NC=O 83a0d0bfb3b7ec5a070ad221a7115b67 [0,2,0,0,0,0|2,0,0]=4 213 B7R0.5 CC(C)[C@H](C)NC=O bcc2ba4727ee5d240548f8fc29a1480b [0,2,0,0,0,0|2,0,0]=4 214 B7R0.5 CC(O)C(C)NC=O 260810e8bba0286df97574f1b44d4d22 [0,2,0,0,0,0|2,0,0]=4 215 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [0,2,0,0,0,0|2,0,0]=4 216 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [0,2,0,0,0,0|2,0,0]=4 217 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [0,2,0,0,0,0|1,0,0]=3 218 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [0,2,0,0,0,0|2,0,0]=4 219 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [0,2,0,0,0,0|2,0,0]=4 220 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [0,2,0,0,0,0|2,0,0]=4 221 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [0,2,0,0,0,0|2,0,0]=4 222 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,2,0,0,0,0|1,0,1]=4 223 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [0,2,0,0,0,0|2,0,0]=4 224 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [0,2,0,0,0,0|2,0,0]=4 225 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [0,2,0,0,0,0|2,0,0]=4 226 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [0,2,0,0,0,0|2,0,0]=4 227 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [0,2,0,0,0,0|2,0,0]=4 228 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [0,2,0,0,0,0|2,0,0]=4 229 B7R0.5 O=C(O)C(O)NCF debbdbf9e1d3d8838357ca1b62835c9a [0,2,0,0,0,0|2,0,0]=4 230 B7R0.5 O=C(O)C(O)NCO 6aca03582d286fba98508921a1d70ae3 [0,2,0,0,0,0|2,0,0]=4 231 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [0,2,0,0,0,0|1,0,0]=3 232 B7R0.7 C/C=C/C(C)OCF 3320ba4ae2d9fdbf44f9979a869dffee [0,2,0,0,0,0|2,0,0]=4 233 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [0,2,0,0,0,0|1,0,0]=3 234 B7R0.7 C=CCC(C)OCF 2ea57e9504db84bdaa251cea2b6d235a [0,2,0,0,0,0|2,0,0]=4 235 B7R0.7 C=CCN(C)CCC 4db190253ad01fc85a9136b104142548 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.7 C=CCN(C)CCF b31bc09de38c09b7eacc67cab349dd8e [0,2,0,0,0,0|2,0,0]=4 237 B7R0.7 C=CCN(C)CCO 979ac659399c5cc5526a5ffaafb300dd [0,2,0,0,0,0|2,0,0]=4 238 B7R0.7 C=CCN(C)CCS 39ef2c909095bde90a27bd83d01eb339 [0,2,0,0,0,0|2,0,0]=4 239 B7R0.7 C=CCN(C)COC 36534bf3b31eb577cc61ba87a9d55a6b [0,2,0,0,0,0|2,0,0]=4 240 B7R0.7 C=CCN(C)CSC f1be06c214da72bca84cecc462a1a3ad [0,2,0,0,0,0|2,0,0]=4 241 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [0,2,0,0,0,0|1,0,0]=3 242 B7R0.7 C=CC[C@@H](C)OCF 51977b3390daf4ec7d8c8b67e41f6ec4 [0,2,0,0,0,0|2,0,0]=4 243 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [0,2,0,0,0,0|1,0,0]=3 244 B7R0.7 C=CC[C@H](C)OCF e1a26aac47576e318dc06827e291df9a [0,2,0,0,0,0|2,0,0]=4 245 B7R0.7 CC(CCO)NC=O 892cc7a0d08c79535b8216399ec9a52d [0,2,0,0,0,0|2,0,0]=4 246 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [0,2,0,0,0,0|1,0,0]=3 247 B7R0.7 CC=CC(C)OCF 320a75cf236278cddb0a50a5acdd75bf [0,2,0,0,0,0|2,0,0]=4 248 B7R0.7 CCCC(C)NC=O 3b3fdc3aff176c80def2c27de1055661 [0,2,0,0,0,0|2,0,0]=4 249 B7R0.7 CCC[C@H](C)NC=O d7593154c1a9fc5db070af269735e419 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.7 COCC(C)NC=O 45a0b649e4600219d555cc1f9498bdc8 [0,2,0,0,0,0|2,0,0]=4 251 B7R0.7 COC[C@@H](C)NC=O d1500602ed7da53624fa7ed4337a50c3 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.7 COC[C@H](C)NC=O 9ace0af38b8cac4dc5e5d6d9564d36a8 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.7 C[C@@H](CCO)NC=O eb95ec52954fcdf5dbae515a1b580040 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.7 C[C@H](CCO)NC=O b74e456417922c93cc7901b1f7160ec1 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.10 C=CC(=O)N(C)CC 5cdce1a1cd893d8ab1284f8177670f55 [0,2,0,0,0,0|0,0,2]=4 256 B7R0.10 C=CC(C)N(C)CC 4e19c64cea3fd4c093ea40cd82bb7bd4 [0,2,0,0,0,0|1,0,0]=3 257 B7R0.10 CCC(C)N(C)C=O aaa2a77e867aed83923621e3629d674e [0,2,0,0,0,0|2,0,0]=4 258 B7R0.10 CCN(C)C(=O)C=O db5732fec82020b1e06387d47e0f63dc [0,2,0,0,0,0|2,0,0]=4 259 B7R0.10 CCN(C)C(C)C=O 3a064273f8f7f25930c79a89d95b0e17 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.10 CCN(C)[C@H](C)C=O 193bc5a546dbc7ad240f6d8ae5d9f8d3 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.11 CCC(C)(C)NC=O 467bc47a116e7d37bf8e07bc1f187838 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.12 C#CC(C=C)OCC 709b537a4e9a5b4501f9d5eca1f1cb34 [0,2,0,0,0,0|1,0,0]=3 263 B7R0.12 C#CC(C=C)OCF 1638b7a3d70bcf7e50d6b59cef687704 [0,2,0,0,0,0|0,0,2]=4 264 B7R0.12 C#CC(CC)OCC 6abeb838fcea8b6a2cba4e33dc1c0f32 [0,2,0,0,0,0|0,0,2]=4 265 B7R0.12 C#CC(CC)OCF 8bef453312f7ac6f09d4b91d036d83cb [0,2,0,0,0,0|0,0,2]=4 266 B7R0.12 C=CC(C=C)OCC 7de0118a4df6b31edc8ac929ff93e6e2 [0,2,0,0,0,0|1,0,0]=3 267 B7R0.12 C=CC(C=C)OCF b220aa0fb5154e59155cc47011e4e4f2 [0,2,0,0,0,0|0,0,2]=4 268 B7R0.12 C=CC(CC)OCC 3384f4e6ac585bde2972dae19026fd2c [0,2,0,0,0,0|0,0,0]=2 269 B7R0.12 C=CC(CC)OCF ee733990df23ecaaae0d0e8a90e9d715 [0,2,0,0,0,0|0,0,0]=2 270 B7R0.12 C=CCN(C#N)CC 509273b16884202440fd3995b8d1b166 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.12 C=C[C@@H](CO)NC=O 5d09ef4825c604a2efc4917c4ac324ba [0,2,0,0,0,0|1,0,1]=4 272 B7R0.12 C=C[C@@H](CO)NCC 2b9f74d6ae3c2b74c3cb02472da25462 [0,2,0,0,0,0|0,0,0]=2 273 B7R0.12 C=C[C@@H](CO)NCF 45f46d0e2d45b5ffe56c443ad856d301 [0,2,0,0,0,0|1,0,0]=3 274 B7R0.12 C=C[C@@H](CO)NCO d2fd6b67e1270056665850c4f76e47e8 [0,2,0,0,0,0|1,0,0]=3 275 B7R0.12 CCC(C#N)OCF c9ae646c0f0951391fec3ccfa891e7b4 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.12 CCC(C=O)NC#N 8782a547e3cb0e5e449a7e26af3b8936 [0,2,0,0,0,0|2,0,0]=4 277 B7R0.12 CCC(CC)NC=O 4175bd0bc40e9e83245363507b336b46 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.12 CCC(CC)NCO 63242e3a6c349fa4dc8099f989675ea6 [0,2,0,0,0,0|0,0,2]=4 279 B7R0.12 CCC(CC)OCF 636355b0b109acffc3ac81270024a401 [0,2,0,0,0,0|0,0,2]=4 280 B7R0.12 CCC(CO)NC#N cb7de5b96a5581c4dc7a1322b8ea92a1 [0,2,0,0,0,0|1,0,1]=4 281 B7R0.12 CCC(CO)NC=O 742cd9cb7df8523077fcd6bd9de1d480 [0,2,0,0,0,0|1,0,0]=3 282 B7R0.12 CCC(CO)NCF 78a0b6c825ca62e5f537e0313224ae30 [0,2,0,0,0,0|1,0,1]=4 283 B7R0.12 CCC(CO)NCO 3c794c1fdc16d6ba628977ba610b2f38 [0,2,0,0,0,0|1,0,1]=4 284 B7R0.12 CCN(C=O)CCO f06d113e63228ddd0fbad99b8e842127 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.12 CCNC(CC)CO 69eb8cb0bab039daf9654224be723bd4 [0,2,0,0,0,0|0,0,2]=4 286 B7R0.12 CCNC(CO)CO c3e79c4c97ee2b42d70122fc2549f86f [0,2,0,0,0,0|1,0,1]=4 287 B7R0.12 CCN[C@@H](CC)CO 58754a8a804d698e6257db6bc4cb95b3 [0,2,0,0,0,0|0,0,2]=4 288 B7R0.12 CCN[C@H](CC)CO 5b608cb220323f541c9afa99df78f847 [0,2,0,0,0,0|0,0,2]=4 289 B7R0.12 CCOC(C#N)CC 7e047b05d0e19c947a2b74261d14c997 [0,2,0,0,0,0|1,0,1]=4 290 B7R0.12 CCOC(CC)CC 60351d1ac9a51febe159ba00076742a6 [0,2,0,0,0,0|0,0,2]=4 291 B7R0.12 CC[C@@H](CO)NC=O 637c953e48cb45b4be088640a9f26fb2 [0,2,0,0,0,0|1,0,0]=3 292 B7R0.12 CC[C@@H](CO)NCF 839ec889c8fe0848d31935b9dbdfcd38 [0,2,0,0,0,0|1,0,1]=4 293 B7R0.12 CC[C@@H](CO)NCO c3ea7a2fb8cac1d4f9b9352f27d46e24 [0,2,0,0,0,0|1,0,1]=4 294 B7R0.12 CC[C@H](CO)NC=O c5c2fc5e70a5e94955887b0f6db6a1a2 [0,2,0,0,0,0|1,0,0]=3 295 B7R0.12 CC[C@H](CO)NCF f04a8d368ea68193b9688c8e4f4f4f35 [0,2,0,0,0,0|1,0,1]=4 296 B7R0.12 CC[C@H](CO)NCO 31d6dbcb1b8a1065d54c94ad93fd2f0d [0,2,0,0,0,0|1,0,1]=4 297 B7R0.12 O=CN(CO)CCO 04adc48d7b0506cc852e54ed640113a1 [0,2,0,0,0,0|2,0,0]=4 298 B7R0.12 O=CNC(CO)CO cf9304986c9a1419edf6773dbe4f0207 [0,2,0,0,0,0|2,0,0]=4 299 B7R1.1 CCN1CC=CC1 6c4c19a4974c3e71b2e06f869bc9eb5b [0,1,0,1,0,0|2,0,0]=4 300 B7R1.5 CC1CC1NC=O 11d2e4098455fa895a61be5d2e846089 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.6 C=CCN1CCC1 e2cc8c962668cfacc8166017adc3ac9b [0,1,0,1,0,0|2,0,0]=4 302 B7R1.21 CC1(CC1)NC=O 07b8dc5a3dd0a56dffd330aa7b75c69f [0,1,0,1,0,0|2,0,0]=4