0 B6R0.3 CC(C)N(C)C=O ed819c6af0078a1de69f07f4fd8d9ee5 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.3 CC(C)N(C)CF d3c40e8bfc08dfa1b44a8a87aef31e93 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.3 CC(C)N(C)CO 68aaa92996932618c2ea955d854bb5c7 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.3 CCN(C)C(C)C 515b7690a64e89945d29d623804849df [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 CC(C)NC#N ca654f29c9678ccae3e6761ddb91602e [1,0,0,0,0,0|2,0,1]=4 5 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.3 CCN(C)CF f1609b6f0307b235e83ada8bb1f6ec70 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.5 C#CCN(C)C(C)C 3dbde8408e4d2a075d256a7d30b5765d [0,1,0,0,0,0|3,0,0]=4 11 B7R0.5 C=CCN(C)C(C)C 96de01368c533ec0e3507154958af2ed [0,1,0,0,0,0|3,0,0]=4 12 B7R0.5 CC(C)C(C)NC#N c1d5db6fd1627cb82f8f7326c8a6c7a2 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.5 CC(C)C(C)NC=O 4e819ff0160e7ed0f2ff22f1b3980c8f [0,1,0,0,0,0|1,0,2]=4 14 B7R0.5 CC(C)C(C)NCF 643136cdaccdc2c2feaceaf8387098cb [0,1,0,0,0,0|2,0,0]=3 15 B7R0.5 CC(C)C(C)NCO 3e5c534ac08ff52ad797b9ecde6db54e [0,1,0,0,0,0|1,0,0]=2 16 B7R0.5 CC(C)C(C)OCF 80276d10e0b66e37d961ea14d47b0969 [0,1,0,0,0,0|2,0,0]=3 17 B7R0.5 CC(C)N(C)CC#N d0d15547a218aac9b3147a62c8b0ad53 [0,1,0,0,0,0|3,0,0]=4 18 B7R0.5 CC(C)N(C)CC=O dce9ec45ecad4267effdc3296bdfc642 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.5 CC(C)N(C)CCF bb72ad0b6f8866b4436bef306a64fc30 [0,1,0,0,0,0|3,0,0]=4 20 B7R0.5 CC(C)N(C)CCO 81a28f5ee4f12e11b2d2f617ef1d3581 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.5 CC(C)N(C)CCS c1764d6a23c86a90688037664afc4e82 [0,1,0,0,0,0|2,1,0]=4 22 B7R0.5 CC(C)[C@@H](C)NC=O 83a0d0bfb3b7ec5a070ad221a7115b67 [0,1,0,0,0,0|1,0,2]=4 23 B7R0.5 CC(C)[C@@H](C)NCF b41e18f15d7a7a980d0fe6a1eba98267 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.5 CC(C)[C@@H](C)NCO dae9283d092fb775f557bbf40fd5342a [0,1,0,0,0,0|1,0,0]=2 25 B7R0.5 CC(C)[C@@H](C)OCF 424651f56e9c7a59f079f55fb4486da5 [0,1,0,0,0,0|2,0,0]=3 26 B7R0.5 CC(C)[C@H](C)NC=O bcc2ba4727ee5d240548f8fc29a1480b [0,1,0,0,0,0|1,0,2]=4 27 B7R0.5 CC(C)[C@H](C)NCF e48701e9d3440c0ecd05eac322b8d2d3 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.5 CC(C)[C@H](C)NCO 8adad5810c92a16d836b9deea9f0a802 [0,1,0,0,0,0|1,0,0]=2 29 B7R0.5 CC(C)[C@H](C)OCF 6f8956e151353b4df44e100c25e804da [0,1,0,0,0,0|2,0,0]=3 30 B7R0.5 CC(O)C(C)NCF bf97ad3ecde72b9ce907773444f2ac7d [0,1,0,0,0,0|3,0,0]=4 31 B7R0.5 CC(O)C(C)NCO f5ad7a8ea3ea402c77cd7eb338910db7 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.5 CC(S)C(C)OCF c7099e5b1e3a4f16ef567413c6077b3f [0,1,0,0,0,0|3,0,0]=4 33 B7R0.5 CCCN(C)C(C)C 3141e8fbdc6c20712cffde27068901ab [0,1,0,0,0,0|3,0,0]=4 34 B7R0.5 CCNC(C)C(C)C 6ff6c70a41ff0de8b891e50966ef9339 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.5 CCNC(C)C(C)O 392d96cf423ba6d8f5882a82ddace883 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.5 CCN[C@@H](C)C(C)C 54d4aa17c71caa18f971b7cc220c5c61 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.5 CCN[C@H](C)C(C)C 26ce300d7da809c460e59e21a4343853 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.5 CCOC(C)C(C)C bb142acd6bd0d3536405c513b06eea53 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.5 CCOC(C)C(C)S e76d621ef1113c6e6d1e86237ce3aa29 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.5 CCO[C@@H](C)C(C)C 730945e6bcfbc2b11622279903eef1de [0,1,0,0,0,0|2,0,0]=3 41 B7R0.5 CCO[C@H](C)C(C)C 443e2922f1cca86413940e6d728bd16d [0,1,0,0,0,0|2,0,0]=3 42 B7R0.5 COCN(C)C(C)C 56238f6328cf364463db0f0876210615 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.5 CSCN(C)C(C)C 6bade958cb762672bfe3ad82fb307ca1 [0,1,0,0,0,0|2,1,0]=4 44 B7R0.5 C[C@@H](NCO)C(F)F 38642516c345d28e61569cfbe9318217 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.5 C[C@H](NCO)C(F)F 5e56f11b7a9591f06cfba0d673d3d347 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.10 CC(CO)N(C)C=O 4659927dd4489ef42e67e78276d3b1b4 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.10 CCC(C)N(C)CC 7f98f3cb5d001a509589f6f457ffe6ca [0,1,0,0,0,0|3,0,0]=4 48 B7R0.10 CCC(C)N(C)CF d256e2823039dc8016c48630c6e9d811 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.10 CCC(C)N(C)CO 1b36e6675b647f3c2b421b00c5b597a7 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.10 CCN(C)C(=O)CO ed09d31f2cea5da5288bffcd06a685cb [0,1,0,0,0,0|2,0,1]=4 51 B7R0.10 CCN(C)C(C)CO bebabfe649434d11c02db23f8c999491 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.10 CCN(C)[C@@H](C)CO 0928581d52d4c504aa98f7d51aa86889 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.10 CCN(C)[C@H](C)CO 9f8b649df632bf19345f656ecd33a6ed [0,1,0,0,0,0|2,0,0]=3 54 B7R0.10 C[C@@H](CO)N(C)C=O b94b965b512745cf284fdc052a9474ae [0,1,0,0,0,0|2,0,1]=4 55 B7R0.10 C[C@H](CO)N(C)C=O c4c1d9e89c0731cbc76ea32ef421fbca [0,1,0,0,0,0|2,0,1]=4 56 B7R0.14 CCN(C)C(C)(C)C b713cbd327d098cb797fd38b303de500 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.14 CN(CF)C(C)(C)C 4c8ae3f84dc11de32f781b27fe629ecc [0,1,0,0,0,0|3,0,0]=4 58 B7R0.14 CN(CO)C(C)(C)C 3ca3e9150fd005aa114afb95e9a613ad [0,1,0,0,0,0|2,0,0]=3 59 B7R0.15 CCN(C=O)C(C)C 86649df767a092150d1d82b73f12f48f [0,1,0,0,0,0|3,0,0]=4 60 B7R0.15 CCN(CC)C(C)C 3f01a351ede1b688c65b6abfdefd7c48 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.15 CCN(CF)C(C)C 9d5cf24a52f779b8159ba787e901de86 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.15 CCN(CO)C(C)C 2e5cc72f2eec9d2d5cbf0a379e663ee8 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.16 CC(C)N(C)C(C)C abe10f19eddfed4a9330962779694b9d [0,1,0,0,0,0|3,0,0]=4 64 B7R1.18 CC(C)N1CCC1 d44ed514bb3d90dbfe71cc985ec56a8b [0,0,0,1,0,0|3,0,0]=4 65 B7R1.22 CCN(C)C1CC1 476aa428dda8fdb06e16725a89d0042d [0,0,0,1,0,0|3,0,0]=4 66 B7R1.22 CN(CF)C1CC1 54383ec2d9da18df279ed6de4a3d8d6d [0,0,0,1,0,0|3,0,0]=4 67 B7R1.22 CN(CO)C1CC1 6f2172a1520d8d373b29f297b52bc26d [0,0,0,1,0,0|2,0,0]=3 68 B7R1.23 CC1(CN1CF)C fef1f23f1b47177073871a5580ee83cf [0,0,0,1,0,0|3,0,0]=4 69 B7R1.23 CC1(CN1CO)C e0279fee84fe6f7f5186cbf1fccd93be [0,0,0,1,0,0|2,0,0]=3 70 B7R1.23 CCN1CC1(C)C c470c4a7bc80dec5721690a60993dfb1 [0,0,0,1,0,0|3,0,0]=4 71 B7R0.2 C#CC(C)NC(C)C 1adfd08d21a60fe3922bad2a8cac6fc5 [0,0,0,0,0,1|2,0,1]=4 72 B7R0.2 C#CC(C)OC(C)C bd395c473397c0df03907e2995614562 [0,0,0,0,0,1|2,0,1]=4 73 B7R0.2 C#C[C@@H](C)NC(C)C 4fb0ba4a4d14b34bf0f7402f8af0e7a0 [0,0,0,0,0,1|2,0,1]=4 74 B7R0.2 C#C[C@@H](C)OC(C)C 57b406fc1bff6e055637741c210d864a [0,0,0,0,0,1|2,0,1]=4 75 B7R0.2 C#C[C@H](C)NC(C)C 9a0729fd31b9e7a065041f3f67ecd743 [0,0,0,0,0,1|2,0,1]=4 76 B7R0.2 C#C[C@H](C)OC(C)C 20fe24039694ac0ddbbae904a1c50c14 [0,0,0,0,0,1|2,0,1]=4 77 B7R0.2 C=CC(C)NC(C)C 538c1af40a959f36dd21007158f94b60 [0,0,0,0,0,1|2,0,1]=4 78 B7R0.2 C=CC(C)OC(C)C 532c4624b978961a1c4eda7e3050b228 [0,0,0,0,0,1|2,0,1]=4 79 B7R0.2 C=C[C@H](C)OC(C)C 0e0bab0a84cd6e94202f911cf430b03e [0,0,0,0,0,1|2,0,1]=4 80 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [0,0,0,0,0,1|2,0,1]=4 81 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [0,0,0,0,0,1|2,0,1]=4 82 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [0,0,0,0,0,1|2,0,1]=4 83 B7R0.2 CC(C)CN(C)CF f2a6b79f5877628929a1b31fd183a5d0 [0,0,0,0,0,1|3,0,0]=4 84 B7R0.2 CC(C)CN(C)CO 0b6bf7cc82aa91188fc000497729e3d4 [0,0,0,0,0,1|2,0,0]=3 85 B7R0.2 CC(C)NC(C)C#N 67530a843e87041c95d3c81be4de1aa8 [0,0,0,0,0,1|2,0,1]=4 86 B7R0.2 CC(C)NC(C)CO 7d97b958c7e2d8819c7c1f63bb18ce94 [0,0,0,0,0,1|1,0,0]=2 87 B7R0.2 CC(C)N[C@@H](C)CO cb1d68f0941324aa0f3206f5b48bd94c [0,0,0,0,0,1|1,0,0]=2 88 B7R0.2 CC(C)N[C@H](C)CO f1b0a39369263dcbc11a080cbeb93c35 [0,0,0,0,0,1|1,0,0]=2 89 B7R0.2 CC(C)OC(C)C#N d367aad557142d52591f863ae6f1ec70 [0,0,0,0,0,1|2,0,1]=4 90 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [0,0,0,0,0,1|1,0,2]=4 91 B7R0.2 CC(C)OC(C)CF 4c1a23ea77490e2b6e1f5f1f7c7a9ead [0,0,0,0,0,1|2,0,0]=3 92 B7R0.2 CC(C)OC(C)CS f89a38446eb00d60fe9fa60b597f2b73 [0,0,0,0,0,1|1,1,0]=3 93 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [0,0,0,0,0,1|1,0,2]=4 94 B7R0.2 CC(C)O[C@H](C)CS 75e7bc7c54e109d0d519f886fee3300f [0,0,0,0,0,1|1,1,0]=3 95 B7R0.2 CC(O)CN(C)CO 3b7f6558a4b553a3af9a1035d866a39e [0,0,0,0,0,1|3,0,0]=4 96 B7R0.2 CCC(C)NC(C)C 0cb605662148972b343a2865e41d2f95 [0,0,0,0,0,1|2,0,0]=3 97 B7R0.2 CCC(C)OC(C)C 06c7f52afdb28395f9fa9574a364e474 [0,0,0,0,0,1|2,0,0]=3 98 B7R0.2 CCN(C)CC(C)C b1801f5d5c3a2fe65e0c5338da1b288f [0,0,0,0,0,1|3,0,0]=4 99 B7R0.2 CC[C@@H](C)NC(C)C fbd46dfde63f10a9f545bd04d72d3565 [0,0,0,0,0,1|2,0,0]=3 100 B7R0.2 CC[C@@H](C)OC(C)C be2816eab25b2a9101da766270106c57 [0,0,0,0,0,1|2,0,0]=3 101 B7R0.2 CC[C@H](C)NC(C)C df85b8e0c4ded03d149c43327f4a7c4a [0,0,0,0,0,1|2,0,0]=3 102 B7R0.2 CC[C@H](C)OC(C)C 2c6d159b250df3bb005afd7417a4b5dc [0,0,0,0,0,1|2,0,0]=3 103 B7R0.2 C[C@H](O)CN(C)CO c3ae4b5b307547a59cb2b787e087330e [0,0,0,0,0,1|3,0,0]=4 104 B6R0.1 C#CC(C)NCO 3c70e727e0061dbce9cbda47181daecb [1,1,0,0,0,0|1,0,1]=4 105 B6R0.1 C#C[C@@H](C)NCO 126db25e0e4cf6691fb1b82389d3a95e [1,1,0,0,0,0|1,0,1]=4 106 B6R0.1 C#C[C@H](C)NCO debd11bbb9ca9c2de8c9f91e833e2b10 [1,1,0,0,0,0|1,0,1]=4 107 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [1,1,0,0,0,0|1,0,1]=4 108 B6R0.1 CC(C#N)NCO b7d0900ad4a8bef1fe42d0e02db02103 [1,1,0,0,0,0|1,0,1]=4 109 B6R0.1 CC(CF)OCF 32adde0cda0df7ca13f616d81360f718 [1,1,0,0,0,0|2,0,0]=4 110 B6R0.1 CC(CO)NCF ab7f612930dc9a706824818dda371d27 [1,1,0,0,0,0|2,0,0]=4 111 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [1,1,0,0,0,0|1,0,0]=3 112 B6R0.1 CC(CS)OCF 3aa76e588b94fa8c0abffd230ad3c80a [1,1,0,0,0,0|2,0,0]=4 113 B6R0.1 CCC(C)NCF cd789606d14d277b4095dc11d6d1f629 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [1,1,0,0,0,0|1,0,0]=3 115 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [1,1,0,0,0,0|2,0,0]=4 116 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [1,1,0,0,0,0|2,0,0]=4 117 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [1,1,0,0,0,0|2,0,0]=4 118 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [1,1,0,0,0,0|2,0,0]=4 119 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [1,1,0,0,0,0|2,0,0]=4 120 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [1,1,0,0,0,0|1,0,0]=3 121 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [1,1,0,0,0,0|1,1,0]=4 122 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [1,1,0,0,0,0|2,0,0]=4 123 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [1,1,0,0,0,0|2,0,0]=4 124 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [1,1,0,0,0,0|2,0,0]=4 125 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [1,1,0,0,0,0|2,0,0]=4 126 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [1,1,0,0,0,0|2,0,0]=4 127 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [1,1,0,0,0,0|2,0,0]=4 129 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [1,1,0,0,0,0|2,0,0]=4 130 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [1,1,0,0,0,0|2,0,0]=4 131 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [1,1,0,0,0,0|2,0,0]=4 132 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [1,1,0,0,0,0|2,0,0]=4 134 B6R0.1 CC[C@@H](C)NCF 6dbb95a50e3976893bdb1627db012fbb [1,1,0,0,0,0|2,0,0]=4 135 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [1,1,0,0,0,0|1,0,0]=3 136 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [1,1,0,0,0,0|2,0,0]=4 137 B6R0.1 CC[C@H](C)NCF 5d430afc33b47de08bdee5a967987e85 [1,1,0,0,0,0|2,0,0]=4 138 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [1,1,0,0,0,0|1,0,0]=3 139 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [1,1,0,0,0,0|2,0,0]=4 140 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [1,1,0,0,0,0|1,0,1]=4 141 B6R0.1 CN(CF)CCF 3637d23f051ca2593a5a5b98ee47a1b5 [1,1,0,0,0,0|2,0,0]=4 142 B6R0.1 CN(CF)CCO 45c87519ddef71b395da19084a38f5b6 [1,1,0,0,0,0|1,0,0]=3 143 B6R0.1 CN(CO)CCF e5dd1ecfdd1f28e155abf2012a360c21 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.1 CN(CO)CCO 54f662b94257417f82a22aa2c84d65c3 [1,1,0,0,0,0|1,0,0]=3 145 B6R0.1 C[C@@H](CO)NCF 2b92b0d94fc310efd060ea85fc1ec030 [1,1,0,0,0,0|2,0,0]=4 146 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [1,1,0,0,0,0|1,0,0]=3 147 B6R0.1 C[C@H](CO)NCF 769b646e43e30d6b70ca628125c680bc [1,1,0,0,0,0|2,0,0]=4 148 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [1,1,0,0,0,0|1,0,0]=3 149 B6R0.1 C[C@H](CS)OCF db899319a56836cd7d73603a0da16225 [1,1,0,0,0,0|2,0,0]=4 150 B6R0.2 CC(C)OC(C)C ca12c9680239690a47d96d71519e9e05 [1,1,0,0,0,0|2,0,0]=4 151 B6R0.4 C#CCNC(C)C cd1408fc1dae47155e40a1bc6beb1606 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.4 C#CCOC(C)C f06fe85c789040b5be09600decc77ea1 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [1,1,0,0,0,0|0,0,2]=4 154 B6R0.4 C=CCOC(C)C 041109637968f56803a7bcb6b6bd0ab7 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,1,0,0,0,0|1,0,1]=4 156 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,1,0,0,0,0|1,0,1]=4 157 B6R0.4 CC(C)CNC#N 4669aa11e322ca513b1e9ea16868c159 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [1,1,0,0,0,0|0,0,2]=4 159 B6R0.4 CC(C)CNCF 8978b44d87fa42438515590def89eb79 [1,1,0,0,0,0|1,0,0]=3 160 B6R0.4 CC(C)CNCO c3b5fde83cdd81c2f0ea167064fd2c5c [1,1,0,0,0,0|0,0,0]=2 161 B6R0.4 CC(C)COCF b089fa536e65fca20df885ea5dacd9f2 [1,1,0,0,0,0|1,0,0]=3 162 B6R0.4 CC(C)NCC#N 8d9c5f2bbdfd2e60c34ddc5972663be0 [1,1,0,0,0,0|1,0,1]=4 163 B6R0.4 CC(C)NCCBr a3900e505497b08f4c9baca17b4fa185 [1,1,0,0,0,0|1,0,0]=3 164 B6R0.4 CC(C)NCCF 3152aefd56bd5a8bc9f6ac7f33a6fcdb [1,1,0,0,0,0|1,0,0]=3 165 B6R0.4 CC(C)NCCI 61300b723cb63b92262a59e1c054336d [1,1,0,0,0,0|1,0,0]=3 166 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [1,1,0,0,0,0|0,0,0]=2 167 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [1,1,0,0,0,0|0,1,0]=3 168 B6R0.4 CC(C)OCC#N 1be7e1885bd3670d21ecc2d4422857b0 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [1,1,0,0,0,0|0,0,2]=4 170 B6R0.4 CC(C)OCCF 102209588400e8045c1b7317560b3baf [1,1,0,0,0,0|1,0,0]=3 171 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [1,1,0,0,0,0|0,1,0]=3 172 B6R0.4 CC(F)COCF 184378aa5cda319f35eff5a374bd7b36 [1,1,0,0,0,0|2,0,0]=4 173 B6R0.4 CC(O)CNCF 144c0c9eef2933c1009167efe9e078a9 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [1,1,0,0,0,0|1,0,0]=3 175 B6R0.4 CC(S)COCF f0912ffde29b0e269706eb1406d36aad [1,1,0,0,0,0|2,0,0]=4 176 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [1,1,0,0,0,0|1,0,0]=3 177 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [1,1,0,0,0,0|1,0,0]=3 178 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [1,1,0,0,0,0|1,0,0]=3 179 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [1,1,0,0,0,0|2,0,0]=4 180 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [1,1,0,0,0,0|1,0,0]=3 183 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [1,1,0,0,0,0|2,0,0]=4 185 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [1,1,0,0,0,0|2,0,0]=4 186 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [1,1,0,0,0,0|2,0,0]=4 187 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [1,1,0,0,0,0|1,0,0]=3 188 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [1,1,0,0,0,0|1,1,0]=4 189 B6R0.4 C[C@@H](F)COCF 2fceb23c1851fd728d248a746424d5d7 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.4 C[C@@H](O)CNCF 8bc2039df53fc164c6fcbe4ce553b9bc [1,1,0,0,0,0|2,0,0]=4 191 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [1,1,0,0,0,0|1,0,0]=3 192 B6R0.4 C[C@H](F)COCF e3a81502e05212c96edfcd9edba6a43c [1,1,0,0,0,0|2,0,0]=4 193 B6R0.4 C[C@H](O)CNCF 7add29147fcdb7b1f2a2a32e12f20796 [1,1,0,0,0,0|2,0,0]=4 194 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [1,1,0,0,0,0|1,0,0]=3 195 B6R0.4 OCNCC(F)F 3ed4ca35ec506c3014c6127dbef8f462 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.5 CC(C)(C)NCF 3cacbed1609b720894d3f72aa5b5474f [1,1,0,0,0,0|2,0,0]=4 197 B6R0.5 CC(C)(C)NCO 98c610d421d69102d9fd33b99f13912a [1,1,0,0,0,0|1,0,0]=3 198 B6R0.5 CCNC(C)(C)C 075494290386c2ca265fcbc967febc26 [1,1,0,0,0,0|2,0,0]=4 199 B8R0.2 CC(C)C(C)N(C)CO a0f7721529d98d8e106c3a529f205f31 [0,1,0,0,0,1|2,0,0]=4 200 B8R0.2 CC(C)N(C)C(=O)CO d1898419d3ec12ff050916a4a6cb896f [0,1,0,0,0,1|1,0,1]=4 201 B8R0.2 CC(C)N(C)C(C)CO b60439f996f8f5ff3d91e698655098f7 [0,1,0,0,0,1|1,0,0]=3 202 B8R0.2 CC(C)N(C)[C@@H](C)CO 25d3e04c31fbd67c8f535923ba80d8e3 [0,1,0,0,0,1|1,0,0]=3 203 B8R0.2 CC(C)N(C)[C@H](C)CO 862d0a8f59766771f7aab35aa32d54b0 [0,1,0,0,0,1|1,0,0]=3 204 B8R0.2 CCC(C)N(C)C(C)C 5cfcc2695d4d86b7b3e42635fc9a7caa [0,1,0,0,0,1|2,0,0]=4 205 B8R0.5 C#CCC(C)OC(C)C afbbe4bf479830c6b3a3b7622166a000 [0,1,0,0,0,1|2,0,0]=4 206 B8R0.5 C=CCC(C)OC(C)C 45825ae26f455c78095404e7f4d38fa0 [0,1,0,0,0,1|2,0,0]=4 207 B8R0.5 C=CC[C@@H](C)OC(C)C d81df3e229a2355212eeaf2dac2b4426 [0,1,0,0,0,1|2,0,0]=4 208 B8R0.5 C=CC[C@H](C)OC(C)C 2ebaf3f133b5c58d9bd9bf758c41b800 [0,1,0,0,0,1|2,0,0]=4 209 B8R0.5 CC(C)CC(C)NCF 2947eae3bc5a2ca3b413e712dc2d17ba [0,1,0,0,0,1|2,0,0]=4 210 B8R0.5 CC(C)CC(C)NCO fda8b77345a43971581a5fdf198496ed [0,1,0,0,0,1|1,0,0]=3 211 B8R0.5 CC(C)CC(C)OCF df3d77bcb70b379ba02111d4ab191925 [0,1,0,0,0,1|2,0,0]=4 212 B8R0.5 CC(C)CN(C)CCO 88c09d521cd5d8864d09de40f53a5749 [0,1,0,0,0,1|2,0,0]=4 213 B8R0.5 CC(C)C[C@@H](C)OCF f59d7cb8778da0cafb571f6f713e384e [0,1,0,0,0,1|2,0,0]=4 214 B8R0.5 CC(C)C[C@H](C)OCF 2266bd706cca147fe8369e224957217a [0,1,0,0,0,1|2,0,0]=4 215 B8R0.5 CC(C)NC(C)CC#N 9aa6718f11f51184dc95e7131790f60c [0,1,0,0,0,1|2,0,0]=4 216 B8R0.5 CC(C)NC(C)CCO 9e72e2294640a5a5bdd47c8c15fa6ebc [0,1,0,0,0,1|1,0,0]=3 217 B8R0.5 CC(C)N[C@@H](C)CCO f00801b59b355a8660dff24ba4f60f20 [0,1,0,0,0,1|1,0,0]=3 218 B8R0.5 CC(C)N[C@H](C)CCO 17f4d157c114d55502ca3004b5471931 [0,1,0,0,0,1|1,0,0]=3 219 B8R0.5 CC(C)OC(C)CC#N c9ef763e5a09e3ed3df0571f62e6ec78 [0,1,0,0,0,1|2,0,0]=4 220 B8R0.5 CC(C)O[C@@H](C)CC#N f8cf9d498e19656d68bd3d2c30607228 [0,1,0,0,0,1|2,0,0]=4 221 B8R0.5 CC(C)O[C@H](C)CC#N 3e54a0d621de3dc498eb64990dd193a9 [0,1,0,0,0,1|2,0,0]=4 222 B8R0.5 CC(CN(C)C)NCO 86317f4a1c7ddfe5ccc0d892a8d8baa8 [0,1,0,0,0,1|2,0,0]=4 223 B8R0.5 CC(O)CC(C)NCO a3e3cf347616fa2466ad965e211d77eb [0,1,0,0,0,1|2,0,0]=4 224 B8R0.5 CCCC(C)NC(C)C f8bb5c8de6d4ec16bb81d8451bfb16da [0,1,0,0,0,1|2,0,0]=4 225 B8R0.5 CCCC(C)OC(C)C af28c67907ad8e9b80a1443e1881a09f [0,1,0,0,0,1|2,0,0]=4 226 B8R0.5 CCC[C@@H](C)OC(C)C 38af500727caf5ac56759d6ba34645ea [0,1,0,0,0,1|2,0,0]=4 227 B8R0.5 CCC[C@H](C)NC(C)C f5cc882f68b964118786668968029765 [0,1,0,0,0,1|2,0,0]=4 228 B8R0.5 CCC[C@H](C)OC(C)C 39fe789680e7206034f6b275f2ba377c [0,1,0,0,0,1|2,0,0]=4 229 B8R0.5 CCNC(C)CC(C)C 865caec34869d14200fe8a23ded15c61 [0,1,0,0,0,1|2,0,0]=4 230 B8R0.5 CCOC(C)CC(C)C 30e2f8e558cfdda4b507d2297dd2dc70 [0,1,0,0,0,1|2,0,0]=4 231 B8R0.5 CCO[C@@H](C)CC(C)C 1e2bdc5c56411fd3cd17ac1c2858063c [0,1,0,0,0,1|2,0,0]=4 232 B8R0.5 CCO[C@H](C)CC(C)C 914881db7ee4a9dab17d292ad412afd8 [0,1,0,0,0,1|2,0,0]=4 233 B8R0.5 COCC(C)NC(C)C f325acefc3a4b4e0a2584e9b15f5748d [0,1,0,0,0,1|1,0,0]=3 234 B8R0.5 COCC(C)OC(C)C 42224fedc69e8b9186e7b6a47072d544 [0,1,0,0,0,1|1,0,0]=3 235 B8R0.5 COCN(C)CC(C)C ccfc06333099a194fdf9a9972dfaab0f [0,1,0,0,0,1|2,0,0]=4 236 B8R0.5 COC[C@@H](C)NC(C)C 77969946784bfff00792344cde0e266f [0,1,0,0,0,1|1,0,0]=3 237 B8R0.5 COC[C@@H](C)OC(C)C 55e39c13b20d1d01aae9f00d8a695fef [0,1,0,0,0,1|1,0,0]=3 238 B8R0.5 COC[C@H](C)NC(C)C bc3fa56fdda5cf62da7a7ae0ce122b0a [0,1,0,0,0,1|1,0,0]=3 239 B8R0.5 COC[C@H](C)OC(C)C 937e8d4809322b8fa6634d0115399612 [0,1,0,0,0,1|1,0,0]=3 240 B8R0.5 CSCC(C)OC(C)C f21107a5d5a62c97312908cbb5e0f355 [0,1,0,0,0,1|1,1,0]=4 241 B8R0.5 C[C@@H](CN(C)C)NCO 483617ff20000e2595aa9dc0be74f33e [0,1,0,0,0,1|2,0,0]=4 242 B8R0.5 C[C@H](CN(C)C)NCO 568346fcb0e59c831142035b0fe67d54 [0,1,0,0,0,1|2,0,0]=4 243 B8R0.16 C#CC(CC)OC(C)C fafefd8139325c645cb6f4f774c8e195 [0,1,0,0,0,1|2,0,0]=4 244 B8R0.16 C=CC(CC)OC(C)C 54a2ef8638860ea6d3922727d18450c8 [0,1,0,0,0,1|2,0,0]=4 245 B8R0.16 C=C[C@@H](CO)NC(C)C 0ba4a157b4c2e9c46c8446adb8942bfc [0,1,0,0,0,1|1,0,0]=3 246 B8R0.16 CC(C)NC(CO)CO dd32b73b95b23c77e6b7f7195c5cfbed [0,1,0,0,0,1|1,0,0]=3 247 B8R0.16 CC(C)OC(CBr)CBr a736619378894b2cf0135679f294c6d7 [0,1,0,0,0,1|2,0,0]=4 248 B8R0.16 CC(C)OC(CCl)CBr 91fbdd20269cf7ce50dff9a7a24f95e9 [0,1,0,0,0,1|2,0,0]=4 249 B8R0.16 CC(C)OC(CCl)CCl 969ec29937edf09fee85b8a298c9343f [0,1,0,0,0,1|2,0,0]=4 250 B8R0.16 CC(C)OC(CF)CF 98c9cd08092d825b50e5bb51e632fdcc [0,1,0,0,0,1|2,0,0]=4 251 B8R0.16 CC(C)OC(CO)CO 937cd6ebbf8ac7b55a2e944216a1a49b [0,1,0,0,0,1|1,0,0]=3 252 B8R0.16 CC(C)O[C@@H](CCl)CI 4e0a70d4275a5ba18f9fed2e079f6161 [0,1,0,0,0,1|2,0,0]=4 253 B8R0.16 CC(C)O[C@H](CCl)CI e37e37b9f09100cc5502309a31469db3 [0,1,0,0,0,1|2,0,0]=4 254 B8R0.16 CCC(C#N)OC(C)C d5d3070054c18a661e03431a5e7ee891 [0,1,0,0,0,1|1,0,1]=4 255 B8R0.16 CCC(C=O)OC(C)C 64971e54da0bc5dd8c61368ff4482427 [0,1,0,0,0,1|2,0,0]=4 256 B8R0.16 CCC(CC)NC(C)C 8e569a16a5a022835444ad9b9b666832 [0,1,0,0,0,1|2,0,0]=4 257 B8R0.16 CCC(CC)OC(C)C 0d36ea4bc357375b974f87de9390eb5f [0,1,0,0,0,1|2,0,0]=4 258 B8R0.16 CCC(CO)NC(C)C 6d2b06241841be179656caac4c009868 [0,1,0,0,0,1|1,0,0]=3 259 B8R0.16 CCN(CO)CC(C)C f806f0f6352a8332de429236acf734d1 [0,1,0,0,0,1|2,0,0]=4 260 B8R0.16 CC[C@@H](CO)NC(C)C 13f186e709769d2121c3d0296f257911 [0,1,0,0,0,1|1,0,0]=3 261 B8R0.16 CC[C@H](CO)NC(C)C b6223ac7c8fb08c8210a0aedb029ff0d [0,1,0,0,0,1|1,0,0]=3 262 B8R0.19 C#CC(C)NC(C)CO db3c3520d43d8cb580a73a91b29abd02 [0,1,0,0,0,1|1,0,1]=4 263 B8R0.19 C#CC(C)N[C@@H](C)CO ed1a9aae1e9026b99b97732b22b1c567 [0,1,0,0,0,1|1,0,1]=4 264 B8R0.19 C#CC(C)N[C@H](C)CO 9577f4122e6549e2c638a403ec90f871 [0,1,0,0,0,1|1,0,1]=4 265 B8R0.19 C#C[C@@H](C)NC(C)CO 41713db6341a8215808d8a9de044b065 [0,1,0,0,0,1|1,0,1]=4 266 B8R0.19 C#C[C@@H](C)N[C@@H](C)CO 5dbbae8a36ae96d26ddeee7784a5cd68 [0,1,0,0,0,1|1,0,1]=4 267 B8R0.19 C#C[C@@H](C)N[C@H](C)CO 84792f3a1af7012da0567233976c9dbb [0,1,0,0,0,1|1,0,1]=4 268 B8R0.19 C#C[C@H](C)NC(C)CO dac54b1be8668e2be5cb8e7c05091095 [0,1,0,0,0,1|1,0,1]=4 269 B8R0.19 C#C[C@H](C)N[C@@H](C)CO 2db6be72059aaa11d7783ba520546328 [0,1,0,0,0,1|1,0,1]=4 270 B8R0.19 C#C[C@H](C)N[C@H](C)CO 321aa1a0df29e959f35d98f222e93004 [0,1,0,0,0,1|1,0,1]=4 271 B8R0.19 C=CC(C)NC(C)CO 16bfb84f1a59540a82679309d4dc3f25 [0,1,0,0,0,1|1,0,1]=4 272 B8R0.19 C=CC(C)N[C@@H](C)CO 9318e8c97a9de64d7856b7d040f6852d [0,1,0,0,0,1|1,0,1]=4 273 B8R0.19 C=CC(C)N[C@H](C)CO f4599183896b7f79d673f6126dc6f883 [0,1,0,0,0,1|1,0,1]=4 274 B8R0.19 CC(C#N)NC(C)CO 16082fa4756ff6d1573b756948c8ce77 [0,1,0,0,0,1|1,0,1]=4 275 B8R0.19 CC(C#N)N[C@@H](C)CO 249fdaf9d78e7e7e010cb6092b61ceb7 [0,1,0,0,0,1|1,0,1]=4 276 B8R0.19 CC(C#N)N[C@H](C)CO 4a5acb203d1f22d973c43b88d3d54075 [0,1,0,0,0,1|1,0,1]=4 277 B8R0.19 CC(C=O)NC(C)CO 33e7f07b39146db1e5a0ba16f083ffe9 [0,1,0,0,0,1|1,0,1]=4 278 B8R0.19 CC(C=O)N[C@@H](C)CO b551d034652d5a0aade3db27ae92c027 [0,1,0,0,0,1|1,0,1]=4 279 B8R0.19 CC(C=O)N[C@H](C)CO d056900d3448704df85098fe9630c446 [0,1,0,0,0,1|1,0,1]=4 280 B8R0.19 CC(CO)CN(C)CF 6eb37773006d0cdffdf3b4e57a53b52e [0,1,0,0,0,1|2,0,0]=4 281 B8R0.19 CC(CO)CN(C)CO 88f6462de4aacc7ccc10f96b517f63b5 [0,1,0,0,0,1|2,0,0]=4 282 B8R0.19 CC(CO)NC(=O)CO 36e7f0a9d41f765505ec00dee787948b [0,1,0,0,0,1|1,0,1]=4 283 B8R0.19 CC(CO)NC(C)CO a797e2683d0d8b0723f461d57dc15931 [0,1,0,0,0,1|1,0,0]=3 284 B8R0.19 CC(CO)N[C@@H](C)CO 437bc2abee5a28d7e18b65b84a1a202f [0,1,0,0,0,1|1,0,0]=3 285 B8R0.19 CC(CO)N[C@H](C)C=O f1fdc52cb9f42032fc71654c1bb8453d [0,1,0,0,0,1|1,0,1]=4 286 B8R0.19 CC(CO)N[C@H](C)CO 20cc874b2ccebbeb27007a523d899b24 [0,1,0,0,0,1|1,0,0]=3 287 B8R0.19 CCC(C)NC(=O)CO 33a44afa4449469b04b268f3719a3e59 [0,1,0,0,0,1|1,0,1]=4 288 B8R0.19 CCC(C)NC(C)CC 876c9dcdc0f8168933f9842ebfb49dcc [0,1,0,0,0,1|2,0,0]=4 289 B8R0.19 CCC(C)NC(C)CO 39c372ea4cef1456332b0e4a891f2be4 [0,1,0,0,0,1|1,0,0]=3 290 B8R0.19 CCC(C)N[C@@H](C)CC 07e48a2963d6dfeaa91702f20bef1cab [0,1,0,0,0,1|2,0,0]=4 291 B8R0.19 CCC(C)N[C@@H](C)CO 03a0460ae5de8db8276fc6c4f3d9cea4 [0,1,0,0,0,1|1,0,0]=3 292 B8R0.19 CCC(C)N[C@H](C)CC a2f8af3677e9bd218ed8125518b8e1d7 [0,1,0,0,0,1|2,0,0]=4 293 B8R0.19 CCC(C)N[C@H](C)CO 9839a5c86ff60244cdc275d1b4d9331f [0,1,0,0,0,1|1,0,0]=3 294 B8R0.19 CCC(C)OC(C)CC 3470543b91d3e4ca0bc1a393ace3b2b7 [0,1,0,0,0,1|2,0,0]=4 295 B8R0.19 CCC(C)OC(C)CF 49125939c81cefb4adc19d8dfa0139ae [0,1,0,0,0,1|2,0,0]=4 296 B8R0.19 CCC(C)OC(C)CS 3de39661c837590ac35f0513edf5ff4f [0,1,0,0,0,1|1,1,0]=4 297 B8R0.19 CCC(C)O[C@@H](C)CC 5b5f6724583f0bba5fdaf3b11471f3c4 [0,1,0,0,0,1|2,0,0]=4 298 B8R0.19 CCC(C)O[C@H](C)CC 0baa98fec5db8845d4182fe89ad327a5 [0,1,0,0,0,1|2,0,0]=4 299 B8R0.19 CCC(C)O[C@H](C)CS d30039869670687a3f43f613444a1033 [0,1,0,0,0,1|1,1,0]=4 300 B8R0.19 CCN(C)CC(C)CO 57aed0ddb41a49ac36f9f8539801655e [0,1,0,0,0,1|2,0,0]=4 301 B8R0.19 CCN(C)CC(O)CO 1d1312ada3c341da8de27cc3789abca2 [0,1,0,0,0,1|2,0,0]=4 302 B8R0.19 CCN(C)C[C@@H](C)CO ddade9d6e3ba337d6b393a00c773647d [0,1,0,0,0,1|2,0,0]=4 303 B8R0.19 CCN(C)C[C@@H](O)CO e64e4131d671816539b2429b245cd316 [0,1,0,0,0,1|2,0,0]=4 304 B8R0.19 CCN(C)C[C@H](C)CO 0a9476f9cc602f73744eac4366c36b7c [0,1,0,0,0,1|2,0,0]=4 305 B8R0.19 CCN(C)C[C@H](O)CO f45fa40fd7de9da18f9df806f59986f2 [0,1,0,0,0,1|2,0,0]=4 306 B8R0.19 CC[C@@H](C)NC(=O)CO 102bc53795a33daa61b0e6c2cdbc40e6 [0,1,0,0,0,1|1,0,1]=4 307 B8R0.19 CC[C@@H](C)NC(C)CO 18ed6fc25b8c14c4191fbfb8a29f3353 [0,1,0,0,0,1|1,0,0]=3 308 B8R0.19 CC[C@@H](C)N[C@@H](C)CO 007782dc3ac7f491d3f6b8d8f3339b58 [0,1,0,0,0,1|1,0,0]=3 309 B8R0.19 CC[C@@H](C)N[C@H](C)CO b5aae793b89cbba911f055e04d55acb2 [0,1,0,0,0,1|1,0,0]=3 310 B8R0.19 CC[C@H](C)NC(=O)CO 7070ce3ef500a05442ee4538ea055e46 [0,1,0,0,0,1|1,0,1]=4 311 B8R0.19 CC[C@H](C)NC(C)CO 3726c8f35150bd5080044acffa8a570c [0,1,0,0,0,1|1,0,0]=3 312 B8R0.19 CC[C@H](C)N[C@@H](C)CO 762e9a16ea4b3bc73b0f3048e55d1b5d [0,1,0,0,0,1|1,0,0]=3 313 B8R0.19 CC[C@H](C)N[C@H](C)CO 3fb6e84edfa80d94f40bae64bba9a957 [0,1,0,0,0,1|1,0,0]=3 314 B8R0.19 CN(CF)CC(O)CO e5af9cf15dc9b92cdae5f0a721c2cafb [0,1,0,0,0,1|2,0,0]=4 315 B8R0.19 CN(CO)CC(O)CO 1a34678058bb2fafa9e7a74b3a9971bd [0,1,0,0,0,1|2,0,0]=4 316 B8R0.19 C[C@@H](CO)NC(=O)CO 4ef5922646eca2409cc0528bbe495536 [0,1,0,0,0,1|1,0,1]=4 317 B8R0.19 C[C@@H](CO)N[C@@H](C)CO 5675e96daa4862935422ad260e619d0c [0,1,0,0,0,1|1,0,0]=3 318 B8R0.19 C[C@H](C=O)N[C@@H](C)CO 6a73e6801be902d0186bda4c7101036d [0,1,0,0,0,1|1,0,1]=4 319 B8R0.19 C[C@H](C=O)N[C@H](C)CO 0187f83f0b42c2fe626fa88a206aa3ec [0,1,0,0,0,1|1,0,1]=4 320 B8R0.19 C[C@H](CO)NC(=O)CO 02a86c975d92184b3a8afd5bdd788d80 [0,1,0,0,0,1|1,0,1]=4 321 B8R0.19 C[C@H](CO)N[C@@H](C)CO 1ed3347a7be08a59515553d205dc80cf [0,1,0,0,0,1|1,0,0]=3 322 B8R0.19 C[C@H](CO)N[C@H](C)CO abfb150be98f4f9d5d1d2b00478e462d [0,1,0,0,0,1|1,0,0]=3 323 B8R0.23 CC(C)NC(C)C(=O)O 14fb43a096987787a4c4cfde0de411d4 [0,1,0,0,0,1|1,0,1]=4 324 B8R0.23 CC(C)NC(C)C(C)C fa991c1dc0945b7acb983b75408f7a46 [0,1,0,0,0,1|2,0,0]=4 325 B8R0.23 CC(C)NC(C)C(C)O 01387dcbac0883ebe4aacdad9c9a44bc [0,1,0,0,0,1|1,0,0]=3 326 B8R0.23 CC(C)NC(O)C(=O)O 9854a2bbdccc28b8651cc97fd5606c53 [0,1,0,0,0,1|1,0,1]=4 327 B8R0.23 CC(C)N[C@@H](C)C(=O)O 97090174d192ee499ea4beaa2fe31161 [0,1,0,0,0,1|1,0,1]=4 328 B8R0.23 CC(C)N[C@@H](C)C(C)C a6de3f912a6cce2ee6718acd406a9037 [0,1,0,0,0,1|2,0,0]=4 329 B8R0.23 CC(C)N[C@@H](C)C(F)F 09497d63c42300f4d96a3593a3f4e28b [0,1,0,0,0,1|2,0,0]=4 330 B8R0.23 CC(C)N[C@H](C)C(=O)O 1a6c2905adf438d6c173d7efe8c0cadc [0,1,0,0,0,1|1,0,1]=4 331 B8R0.23 CC(C)N[C@H](C)C(C)C 6e0218adcec204e905784158905a9384 [0,1,0,0,0,1|2,0,0]=4 332 B8R0.23 CC(C)N[C@H](C)C(F)F 4bc13adc2c01133fc0f83fc7584dc02c [0,1,0,0,0,1|2,0,0]=4 333 B8R0.23 CC(C)OC(C)C(=O)O 0a58b34c739ceb5a5963c9b3548f472a [0,1,0,0,0,1|1,0,1]=4 334 B8R0.23 CC(C)OC(C)C(C)C f910c97d1e3fc31ceadbec63396d96d4 [0,1,0,0,0,1|2,0,0]=4 335 B8R0.23 CC(C)OC(C)C(C)S c5a4043ec4c85dd966d520e3bdc0abba [0,1,0,0,0,1|1,1,0]=4 336 B8R0.23 CC(C)OC(C)C(F)F 946cfc8bc4849ff3db2d8039ebab74f4 [0,1,0,0,0,1|2,0,0]=4 337 B8R0.23 CC(C)O[C@@H](C)C(=O)O 3e6aa85ab276fb2f3b41c452e067b375 [0,1,0,0,0,1|1,0,1]=4 338 B8R0.23 CC(C)O[C@@H](C)C(C)C 444255d792edbc9dc89a2ace48652e7b [0,1,0,0,0,1|2,0,0]=4 339 B8R0.23 CC(C)O[C@H](C)C(=O)O 3c1a1d8dc45ffece35d6cbe571959a73 [0,1,0,0,0,1|1,0,1]=4 340 B8R0.23 CC(C)O[C@H](C)C(C)C ee15d6361bb13960f2a62772caaee08e [0,1,0,0,0,1|2,0,0]=4 341 B8R0.24 CC(C)(C)NC(=O)CO 036f0d5d96292df8d1908352e5576a0c [0,1,0,0,0,1|1,0,1]=4 342 B8R0.24 CC(CO)NC(C)(C)C 11f9cd87e7e88779d0448afb38346b3b [0,1,0,0,0,1|1,0,0]=3 343 B8R0.24 CCC(C)NC(C)(C)C 9130a28867ae8af859d638502ee1fe58 [0,1,0,0,0,1|2,0,0]=4 344 B8R0.24 CN(CO)CC(C)(C)C 020da0d415bacf8f04d9191e1f548d64 [0,1,0,0,0,1|2,0,0]=4 345 B8R0.24 CN(CO)CC(C)(C)O 4ec4b35ea89b8c212dd6b9dcb2ce0dcc [0,1,0,0,0,1|2,0,0]=4 346 B8R0.24 C[C@@H](CO)NC(C)(C)C d141aaf7a6b2a27fe74c0077e47372d6 [0,1,0,0,0,1|1,0,0]=3 347 B8R0.24 C[C@H](CO)NC(C)(C)C 3d362a32d372c4ca0a319e4e204feae6 [0,1,0,0,0,1|1,0,0]=3 348 B8R0.34 CC(C)NC(C)(C)CF 97ce621ca4ea2c1e508e146ffbb20217 [0,1,0,0,0,1|2,0,0]=4 349 B8R0.34 CC(C)NC(C)(C)CO 2cd04f210ad1294c88e31fc866235976 [0,1,0,0,0,1|1,0,0]=3 350 B8R0.34 CCC(C)(C)NC(C)C bf8717aff18d75f51ab336d0c7ed7326 [0,1,0,0,0,1|2,0,0]=4 351 B8R0.3 C#CCN(C)C(C)CO 831dfbf69f31cac8c12a16ec233b0eb7 [0,2,0,0,0,0|2,0,0]=4 352 B8R0.3 C#CCN(C)[C@@H](C)CO cf4937c96d578f935d86348a972d7119 [0,2,0,0,0,0|2,0,0]=4 353 B8R0.3 C#CCN(C)[C@H](C)CO 8fc66eb2fa3c6d6824064c16ddce3a03 [0,2,0,0,0,0|2,0,0]=4 354 B8R0.3 C=CCN(C)C(C)CO 8c715e862453448fc3e3b9ba82e04fb0 [0,2,0,0,0,0|2,0,0]=4 355 B8R0.3 C=CCN(C)[C@@H](C)CO d79fe830e812ab0c31e5c84552fe2303 [0,2,0,0,0,0|2,0,0]=4 356 B8R0.3 C=CCN(C)[C@H](C)CO 53cb334437435e8137dbb2e1f03423ab [0,2,0,0,0,0|2,0,0]=4 357 B8R0.3 CC(CCO)N(C)CF af965da8b1e8392ca654092286b19de1 [0,2,0,0,0,0|2,0,0]=4 358 B8R0.3 CC(CCO)N(C)CO dfc2a34852129d44194b0c77031219a0 [0,2,0,0,0,0|2,0,0]=4 359 B8R0.3 CC(CO)N(C)CC#N f3835d35ebc258d13f9bb2451152c4c4 [0,2,0,0,0,0|2,0,0]=4 360 B8R0.3 CC(CO)N(C)CC=O 0f8d2e48b5ce1eda5ef71ae8a2fbea8d [0,2,0,0,0,0|2,0,0]=4 361 B8R0.3 CC(CO)N(C)CCF 2f42d2145118d088f5c34c9fa76e855c [0,2,0,0,0,0|2,0,0]=4 362 B8R0.3 CC(CO)N(C)CCO 0d720b41f9c26087e9ba690031a17d7f [0,2,0,0,0,0|2,0,0]=4 363 B8R0.3 CC(CO)N(C)CCS ea8d2ec093ea4db2b234a45c3c938a86 [0,2,0,0,0,0|2,0,0]=4 364 B8R0.3 CCC(C)C(C)NCF fe9d4e9529464615b54d2d41b186082b [0,2,0,0,0,0|2,0,0]=4 365 B8R0.3 CCC(C)C(C)NCO 277f53ad262119755b7dcc96cccca676 [0,2,0,0,0,0|1,0,0]=3 366 B8R0.3 CCC(C)C(C)OCF 30627d9b103d83cf836466428f65b8c3 [0,2,0,0,0,0|2,0,0]=4 367 B8R0.3 CCC(C)N(C)CCO ce9dc1d5d90d70d93850fd69ffcd5f10 [0,2,0,0,0,0|2,0,0]=4 368 B8R0.3 CCC(C)N(C)COC fd54180cf301b5af5c09b4bd26add3bd [0,2,0,0,0,0|2,0,0]=4 369 B8R0.3 CCCN(C)C(C)CO 8beda8059033dea1a0c2a56f23876ffd [0,2,0,0,0,0|2,0,0]=4 370 B8R0.3 CCCN(C)[C@@H](C)CO ea309c3d5effa1e0573b19703dee4a64 [0,2,0,0,0,0|2,0,0]=4 371 B8R0.3 CCCN(C)[C@H](C)CO db553edf061f0eb78c1b59d7ccaebc82 [0,2,0,0,0,0|2,0,0]=4 372 B8R0.3 CCN(C)C(C)CCO 147ef76c8fa4150e2aaf31d64798013d [0,2,0,0,0,0|2,0,0]=4 373 B8R0.3 CCN(C)C(C)COC 46ed6fe0facd15cfd7b3a6c78dfc34e0 [0,2,0,0,0,0|2,0,0]=4 374 B8R0.3 CCN(C)[C@@H](C)CCO 24ac5e527b3f4820ff3091cd834d29a1 [0,2,0,0,0,0|2,0,0]=4 375 B8R0.3 CCNC(C)C(C)CC 9ef4d65391d7628df65d08a9e996100f [0,2,0,0,0,0|2,0,0]=4 376 B8R0.3 CCOC(C)C(C)CC bb6404bf405bb18f7200bca5bcafe98a [0,2,0,0,0,0|2,0,0]=4 377 B8R0.3 CCOC(C)C(C)OC 9c4f80364c61bd6b6d6dccb09e64f357 [0,2,0,0,0,0|2,0,0]=4 378 B8R0.3 COC(C)C(C)OCF 9d0e23209b95532a7256c20203a8f5b2 [0,2,0,0,0,0|2,0,0]=4 379 B8R0.3 C[C@@H](CCO)N(C)CF b908056731d66f2e5f557dc0e7fd0755 [0,2,0,0,0,0|2,0,0]=4 380 B8R0.3 C[C@@H](CCO)N(C)CO eaa5b713431519b13dcab703d6cf2eed [0,2,0,0,0,0|2,0,0]=4 381 B8R0.3 C[C@@H](CO)N(C)CC#N 27e24838a969c34ac7f69659971b24b0 [0,2,0,0,0,0|2,0,0]=4 382 B8R0.3 C[C@@H](CO)N(C)CC=O 7ec30cd81e597e1bd2a1af4676ffad1f [0,2,0,0,0,0|2,0,0]=4 383 B8R0.3 C[C@@H](CO)N(C)CCF d0b50a4bef6f13f7f71e2135e591757e [0,2,0,0,0,0|2,0,0]=4 384 B8R0.3 C[C@@H](CO)N(C)CCO 729f863a62ac580365e6214fb52d9363 [0,2,0,0,0,0|2,0,0]=4 385 B8R0.3 C[C@@H](CO)N(C)CCS 0c2c9795c224099295c549595950946b [0,2,0,0,0,0|2,0,0]=4 386 B8R0.3 C[C@H](CO)N(C)CC#N aab4dcd9a9ab8c15d05fefdc206dc7de [0,2,0,0,0,0|2,0,0]=4 387 B8R0.3 C[C@H](CO)N(C)CC=O 549d4707c245d0d43b050d1c44958445 [0,2,0,0,0,0|2,0,0]=4 388 B8R0.3 C[C@H](CO)N(C)CCF d93739fd0ee357fe37675726a99e0541 [0,2,0,0,0,0|2,0,0]=4 389 B8R0.3 C[C@H](CO)N(C)CCO 00675577d891833e5fc324a18acc436a [0,2,0,0,0,0|2,0,0]=4 390 B8R0.3 C[C@H](CO)N(C)CCS 7d8624a5efff16dd22a46cc757f3632e [0,2,0,0,0,0|2,0,0]=4 391 B8R0.8 C#CCNC(C)C(C)C 4e9bcb0327adc0883cd89bfc250ac851 [0,2,0,0,0,0|2,0,0]=4 392 B8R0.8 C#CCN[C@@H](C)C(C)C c895a44bc1bd37185aa7b8b834f8cffc [0,2,0,0,0,0|2,0,0]=4 393 B8R0.8 C#CCN[C@H](C)C(C)C a44fb943f752f31e4bcfaa59b742787d [0,2,0,0,0,0|2,0,0]=4 394 B8R0.8 C#CCOC(C)C(C)C 322301fceb00c0aeabebc9620cf56bcd [0,2,0,0,0,0|2,0,0]=4 395 B8R0.8 C#CCO[C@@H](C)C(C)C cf9d1c64e8d673c98adb0fb737b85f1d [0,2,0,0,0,0|2,0,0]=4 396 B8R0.8 C#CCO[C@H](C)C(C)C e90fe6c55cbfed018a1b6c9ac8adf2f8 [0,2,0,0,0,0|2,0,0]=4 397 B8R0.8 C=CCNC(C)C(C)C aa6dca52f8f7036289360e5e3602fa9f [0,2,0,0,0,0|2,0,0]=4 398 B8R0.8 C=CCN[C@@H](C)C(C)C 5b1a97f01f322fc50ca513c9b9d7d1df [0,2,0,0,0,0|2,0,0]=4 399 B8R0.8 C=CCN[C@H](C)C(C)C a756fd8bb791b035f4648efddcd7fe78 [0,2,0,0,0,0|2,0,0]=4 400 B8R0.8 C=CCOC(C)C(C)C df599d8f0a3e3227a2f32e12d329969e [0,2,0,0,0,0|2,0,0]=4 401 B8R0.8 C=CCO[C@@H](C)C(C)C 7dd431dc0ac33224bf589664a60f33d6 [0,2,0,0,0,0|2,0,0]=4 402 B8R0.8 C=CCO[C@H](C)C(C)C 92f8c5c268803a32ca406f92c9c094af [0,2,0,0,0,0|2,0,0]=4 403 B8R0.8 CC(C)C(C)CNC#N 49ab306b0d4ca6018c98eeb6ba231c62 [0,2,0,0,0,0|2,0,0]=4 404 B8R0.8 CC(C)C(C)COCF 2541c57b93fd6c072ddc95460a0a66bf [0,2,0,0,0,0|1,0,0]=3 405 B8R0.8 CC(C)C(C)NCC#N 7cd86480709587e64850855ec8ed19b1 [0,2,0,0,0,0|2,0,0]=4 406 B8R0.8 CC(C)C(C)NCC=O 7480596882376427695ab906c9a7bfb0 [0,2,0,0,0,0|1,0,1]=4 407 B8R0.8 CC(C)C(C)NCCBr eb08a6f23b04d7963282ada64fd60fc9 [0,2,0,0,0,0|2,0,0]=4 408 B8R0.8 CC(C)C(C)NCCF 0c619b966fcb93f87e84f637101a239a [0,2,0,0,0,0|2,0,0]=4 409 B8R0.8 CC(C)C(C)NCCI ec22e706582c512896d748c8ff0eb9fd [0,2,0,0,0,0|2,0,0]=4 410 B8R0.8 CC(C)C(C)NCCO 1619d105daf7c51230c4b6257a710c36 [0,2,0,0,0,0|1,0,0]=3 411 B8R0.8 CC(C)C(C)NCCS 4357d99eb054f24fdc6923cbebed884d [0,2,0,0,0,0|1,1,0]=4 412 B8R0.8 CC(C)C(C)OCC#N 367b412b353728daea45e3f031612c59 [0,2,0,0,0,0|2,0,0]=4 413 B8R0.8 CC(C)C(C)OCC=O ce23aaf71e4025cbdc74369cbf39ec61 [0,2,0,0,0,0|1,0,1]=4 414 B8R0.8 CC(C)C(C)OCCF aef6329c2514e1f7d1f35c650ce41f30 [0,2,0,0,0,0|2,0,0]=4 415 B8R0.8 CC(C)C(C)OCCS fbc2dd63702c9f86e1d48d918357ddc9 [0,2,0,0,0,0|1,1,0]=4 416 B8R0.8 CC(C)C(O)CNC=O 60e39351432db3e8d29156b9b9cbfea4 [0,2,0,0,0,0|1,0,1]=4 417 B8R0.8 CC(C)C(O)CNCF 593891618ea50d41485a5c2f2fa1d84e [0,2,0,0,0,0|2,0,0]=4 418 B8R0.8 CC(C)C(O)CNCO f409a810f32d0de494f8d587b41b69c6 [0,2,0,0,0,0|1,0,0]=3 419 B8R0.8 CC(C)N(C)C/C=C\O 83c8cd39f1868355787bb5fcf1d70530 [0,2,0,0,0,0|2,0,0]=4 420 B8R0.8 CC(C)N(C)CCCO e3fdd0b9c377308db32c72e64584dc65 [0,2,0,0,0,0|2,0,0]=4 421 B8R0.8 CC(C)N(C)CCON 27767ed387756687906db7c81e3e2918 [0,2,0,0,0,0|2,0,0]=4 422 B8R0.8 CC(C)[C@@H](C)NCC#N 1f9035512d6a5eca175cf92d76f22690 [0,2,0,0,0,0|2,0,0]=4 423 B8R0.8 CC(C)[C@@H](C)NCC=O fe4cca6e9187eefae56d7c7e9b333cad [0,2,0,0,0,0|1,0,1]=4 424 B8R0.8 CC(C)[C@@H](C)NCCF ad763ed47489e5d06433dfca079785aa [0,2,0,0,0,0|2,0,0]=4 425 B8R0.8 CC(C)[C@@H](C)NCCO 93e06873f6ef60f625c37b13a6ebb5e9 [0,2,0,0,0,0|1,0,0]=3 426 B8R0.8 CC(C)[C@@H](C)NCCS 4283fb7c2456a2749935f5d5a24d75b7 [0,2,0,0,0,0|1,1,0]=4 427 B8R0.8 CC(C)[C@@H](C)OCC#N e431694a30e83e54098dba14383b2719 [0,2,0,0,0,0|2,0,0]=4 428 B8R0.8 CC(C)[C@@H](C)OCC=O 8cb7fc9ac2c6caf3bd0148655550849f [0,2,0,0,0,0|1,0,1]=4 429 B8R0.8 CC(C)[C@@H](C)OCCF b8b398f5963c29dec612780eaf598104 [0,2,0,0,0,0|2,0,0]=4 430 B8R0.8 CC(C)[C@@H](C)OCCS 2f03599c9706c072c081b87656bf78df [0,2,0,0,0,0|1,1,0]=4 431 B8R0.8 CC(C)[C@H](C)NCC#N 141f26c2ca6d71f324160f1e0400d9b9 [0,2,0,0,0,0|2,0,0]=4 432 B8R0.8 CC(C)[C@H](C)NCC=O b91fe17b3c92a1482d1cf7254f00a408 [0,2,0,0,0,0|1,0,1]=4 433 B8R0.8 CC(C)[C@H](C)NCCF 63a7bfceec1a072dd33a9b71a5a0759b [0,2,0,0,0,0|2,0,0]=4 434 B8R0.8 CC(C)[C@H](C)NCCO 4837ecbe37600d9a357778ac43fef7f9 [0,2,0,0,0,0|1,0,0]=3 435 B8R0.8 CC(C)[C@H](C)NCCS 79a56a1f468737d2a742a14baed7afd7 [0,2,0,0,0,0|1,1,0]=4 436 B8R0.8 CC(C)[C@H](C)OCC#N 2b813a30c81274f803c10a9cca83ab39 [0,2,0,0,0,0|2,0,0]=4 437 B8R0.8 CC(C)[C@H](C)OCC=O 42c325ee3d5f7ae3be802a85dcd7d5a5 [0,2,0,0,0,0|1,0,1]=4 438 B8R0.8 CC(C)[C@H](C)OCCF 977ea77aa40f6bf381c111177dcefc23 [0,2,0,0,0,0|2,0,0]=4 439 B8R0.8 CC(C)[C@H](C)OCCS af428ac45dba53ed497056ececced485 [0,2,0,0,0,0|1,1,0]=4 440 B8R0.8 CC(CNCO)N(C)C 755f69d44539e6f74e0cd806d3be351f [0,2,0,0,0,0|2,0,0]=4 441 B8R0.8 CC(COCF)N(C)C 828da36acbbf6f55b6a2bd50d9979146 [0,2,0,0,0,0|2,0,0]=4 442 B8R0.8 CC(O)C(C)NCCO 469f70f9bc699e5eb472875791d52d81 [0,2,0,0,0,0|2,0,0]=4 443 B8R0.8 CCCNC(C)C(C)C 83fa3f7bca0f40e346b81c4ebe9a6195 [0,2,0,0,0,0|2,0,0]=4 444 B8R0.8 CCCN[C@@H](C)C(C)C 5a80b176866eb6d633457f0bc9e03270 [0,2,0,0,0,0|2,0,0]=4 445 B8R0.8 CCCN[C@H](C)C(C)C 51af879c22cb35c22f0cd191096adc82 [0,2,0,0,0,0|2,0,0]=4 446 B8R0.8 CCCOC(C)C(C)C 86f84b43e39046a302b7ae55be48399d [0,2,0,0,0,0|2,0,0]=4 447 B8R0.8 CCCO[C@@H](C)C(C)C 2f41c5c2bb860ee77833a11f23aa4350 [0,2,0,0,0,0|2,0,0]=4 448 B8R0.8 CCCO[C@H](C)C(C)C 90a86ce0fea165a8278a7b9623fa00c4 [0,2,0,0,0,0|2,0,0]=4 449 B8R0.8 CCNCC(O)C(C)C f8af42d48f65ab067207d55022c8343a [0,2,0,0,0,0|2,0,0]=4 450 B8R0.8 CCOCC(C)C(C)C cc9eb3a68371ce091c3a8ee0b2e15210 [0,2,0,0,0,0|1,0,0]=3 451 B8R0.8 CCOCC(C)N(C)C 4cf9d1e108061eb0db86c5bbc2dadd81 [0,2,0,0,0,0|2,0,0]=4 452 B8R0.8 CCOC[C@@H](C)N(C)C 8ebcbc9e4042f7c7c8c24355d5f74677 [0,2,0,0,0,0|2,0,0]=4 453 B8R0.8 CCOC[C@H](C)N(C)C e984cb81fb175d841726dde504cbd605 [0,2,0,0,0,0|2,0,0]=4 454 B8R0.8 COCCN(C)C(C)C 0679adae730b00ff4d5c9af3a927053f [0,2,0,0,0,0|2,0,0]=4 455 B8R0.8 COCNC(C)C(C)C 80beb0ef586dcbb2fc0636113e052cf1 [0,2,0,0,0,0|1,0,0]=3 456 B8R0.8 COCNC(C)C(C)O d7e5822464b4c17df026f3154a34adc6 [0,2,0,0,0,0|2,0,0]=4 457 B8R0.8 COCN[C@@H](C)C(C)C f97999bc5d715d3dd982c539fe7c1a7a [0,2,0,0,0,0|1,0,0]=3 458 B8R0.8 COCN[C@H](C)C(C)C 05378f3b0c03c24f7be959ca535e8aba [0,2,0,0,0,0|1,0,0]=3 459 B8R0.8 COCOC(C)C(C)C 21c22708868643f5c58d9c8d9e4d5112 [0,2,0,0,0,0|1,0,0]=3 460 B8R0.8 COCOC(C)C(C)S 07c83a99f164a6ba91e29c6a58d6c482 [0,2,0,0,0,0|2,0,0]=4 461 B8R0.8 COCO[C@@H](C)C(C)C 43cf5a88e304b0d0b2e116e908ba6767 [0,2,0,0,0,0|1,0,0]=3 462 B8R0.8 COCO[C@H](C)C(C)C 518108af54305583edbdcb71272e465c [0,2,0,0,0,0|1,0,0]=3 463 B8R0.8 CSCNC(C)C(C)C 51acb59e1f0fbf5f5b25df1165f572ec [0,2,0,0,0,0|1,1,0]=4 464 B8R0.8 CSCN[C@@H](C)C(C)C 4ab9b679ebc9a80bf01bcaae89dc4661 [0,2,0,0,0,0|1,1,0]=4 465 B8R0.8 CSCN[C@H](C)C(C)C 2d29b2303be9f4b27e85050f3501c685 [0,2,0,0,0,0|1,1,0]=4 466 B8R0.8 CSCOC(C)C(C)C d3d5c1c5fc376ef75120aa6a80e9e5e0 [0,2,0,0,0,0|1,1,0]=4 467 B8R0.8 CSCO[C@@H](C)C(C)C 1f6c87538b58f348bd73f4584a70b0aa [0,2,0,0,0,0|1,1,0]=4 468 B8R0.8 CSCO[C@H](C)C(C)C e348fa0294055e95f739da0de03754bd [0,2,0,0,0,0|1,1,0]=4 469 B8R0.8 C[C@@H](COCF)N(C)C 4c18d2eb733c9347db74ee95e11c411b [0,2,0,0,0,0|2,0,0]=4 470 B8R0.8 C[C@H](COCF)N(C)C 7c881b0f4568fef9d0e56ce55a4dbbb4 [0,2,0,0,0,0|2,0,0]=4 471 B8R0.12 CC(C)C(C)(C)NCF 156d3d9854ae00014af9191b597ed7c7 [0,2,0,0,0,0|2,0,0]=4 472 B8R0.12 CC(C)C(C)(C)NCO 2875f554b53b194911bc37d47f5c06eb [0,2,0,0,0,0|1,0,0]=3 473 B8R0.12 CC(O)C(C)(C)NCO 4c5bb84bc31d6332c9413507df128c68 [0,2,0,0,0,0|2,0,0]=4 474 B8R0.12 CCNC(C)(C)C(C)C 1b90590cdd2d006fd1300aafa0facb9c [0,2,0,0,0,0|2,0,0]=4 475 B8R0.14 CC(NCF)C(C)(C)C 358579537b59ee8a655532d4ec35c633 [0,2,0,0,0,0|2,0,0]=4 476 B8R0.14 CC(NCF)C(C)(C)O eaee9d73564aa3affed73474085c519d [0,2,0,0,0,0|2,0,0]=4 477 B8R0.14 CC(NCO)C(C)(C)C e898d32148e1d41f73c7743f50b1d335 [0,2,0,0,0,0|1,0,0]=3 478 B8R0.14 CC(NCO)C(C)(C)O 71ff243ea13d00b7435eb35a2a2a7e35 [0,2,0,0,0,0|1,0,0]=3 479 B8R0.14 CCNC(C)C(C)(C)C a395de719817a451126741a1a8b9089d [0,2,0,0,0,0|2,0,0]=4 480 B8R0.14 CCNC(C)C(C)(C)O c2b220c60842fefa41a65d95c0957306 [0,2,0,0,0,0|2,0,0]=4 481 B8R0.14 CCN[C@@H](C)C(C)(C)C 60b26636abd93febc2e508bb5b4ae081 [0,2,0,0,0,0|2,0,0]=4 482 B8R0.14 CCN[C@@H](C)C(C)(C)O 4cdfa28dee0510e65665c3d7949f63d0 [0,2,0,0,0,0|2,0,0]=4 483 B8R0.14 CCN[C@H](C)C(C)(C)C 83dbf732df99f79e7de5b923e43b9126 [0,2,0,0,0,0|2,0,0]=4 484 B8R0.14 CCN[C@H](C)C(C)(C)O 9dd976226d1cb1ad5fe6d4e6329a3f53 [0,2,0,0,0,0|2,0,0]=4 485 B8R0.14 CN(CCO)C(C)(C)C 71dcaf6ccf6bbe15ff9c5ed7bb381990 [0,2,0,0,0,0|2,0,0]=4 486 B8R0.14 COCN(C)C(C)(C)C 1a84af87c8aa0aac3aa862672bfd6657 [0,2,0,0,0,0|2,0,0]=4 487 B8R0.14 C[C@@H](NCF)C(C)(C)C 97bb4d692c9d9075061d72297e89be92 [0,2,0,0,0,0|2,0,0]=4 488 B8R0.14 C[C@@H](NCF)C(C)(C)O 70b8769a8823feb5f3e81d9ff59527ca [0,2,0,0,0,0|2,0,0]=4 489 B8R0.14 C[C@@H](NCO)C(C)(C)C a1b062293a2904a6c3b021f972e21f75 [0,2,0,0,0,0|1,0,0]=3 490 B8R0.14 C[C@@H](NCO)C(C)(C)O 8d565bfda78ddff256229fd3eca78c75 [0,2,0,0,0,0|1,0,0]=3 491 B8R0.14 C[C@H](NCF)C(C)(C)C 714ba11ea25c1569250ef74b02a87240 [0,2,0,0,0,0|2,0,0]=4 492 B8R0.14 C[C@H](NCF)C(C)(C)O 1d9d28517c832134e1e84c9f85e0da08 [0,2,0,0,0,0|2,0,0]=4 493 B8R0.14 C[C@H](NCO)C(C)(C)C 69711e3f8de7c35c651ecadf6a69f683 [0,2,0,0,0,0|1,0,0]=3 494 B8R0.14 C[C@H](NCO)C(C)(C)O f3b28e41e9e45504211cdfe657b0d9fb [0,2,0,0,0,0|1,0,0]=3 495 B8R0.15 C#CC(OCC)C(C)C 6a8af3f4cdd0bc066a863986d074c26b [0,2,0,0,0,0|2,0,0]=4 496 B8R0.15 C#CC(OCF)C(C)C 004fbbbb1010a79c31cadd2b1275cf99 [0,2,0,0,0,0|2,0,0]=4 497 B8R0.15 C#CCN(CO)C(C)C c82c3ecc698edf38350b967e12e0e11e [0,2,0,0,0,0|2,0,0]=4 498 B8R0.15 C=CC(OCC)C(C)C 27434b9578280007aa064ab6388289aa [0,2,0,0,0,0|2,0,0]=4 499 B8R0.15 C=CC(OCF)C(C)C bdb3e5fe3394ae47e9bead5d0e49e6e6 [0,2,0,0,0,0|2,0,0]=4 500 B8R0.15 C=CCN(CO)C(C)C 0742656f0b1084b901db4bee5db7a3f4 [0,2,0,0,0,0|2,0,0]=4 501 B8R0.15 CC(C)C(C#N)OCF e39e15ccf5158ff3274f45401cfca3b9 [0,2,0,0,0,0|1,0,1]=4 502 B8R0.15 CC(C)C(C=O)NC#N 65145daf4245550f406d6d3cdb8b93ee [0,2,0,0,0,0|0,0,2]=4 503 B8R0.15 CC(C)C(CO)NC=O 4599dc089ca4ab41dc809b8f9c57ccf3 [0,2,0,0,0,0|0,0,0]=2 504 B8R0.15 CC(C)C(CO)NCF 243b8826116558a5b9789a95264a1b20 [0,2,0,0,0,0|0,0,0]=2 505 B8R0.15 CC(C)C(CO)NCO 5241925a0f4e98d3bc933873cf4222bc [0,2,0,0,0,0|0,0,0]=2 506 B8R0.15 CC(C)N(C=O)CCO 1344fe535ad12ab3e47a62841ebe0545 [0,2,0,0,0,0|2,0,0]=4 507 B8R0.15 CC(C)N(CF)CCO d21d93bdc86b905986771b4f4b1e003c [0,2,0,0,0,0|2,0,0]=4 508 B8R0.15 CC(C)N(CO)CCO 5b23efe9fcbfe16fe17729c1b9a087b6 [0,2,0,0,0,0|2,0,0]=4 509 B8R0.15 CC(C)[C@@H](CO)NC=O 0d34adc915a51568adfe220e0d745358 [0,2,0,0,0,0|0,0,0]=2 510 B8R0.15 CC(C)[C@@H](CO)NCF f81390d3c0e82e89d572520f8e2a48e2 [0,2,0,0,0,0|0,0,0]=2 511 B8R0.15 CC(C)[C@@H](CO)NCO 695b101d2a69acac062230c1c476fd33 [0,2,0,0,0,0|0,0,0]=2 512 B8R0.15 CC(C)[C@H](CO)NC=O da96439986266663459f7b0f7a55fa34 [0,2,0,0,0,0|0,0,0]=2 513 B8R0.15 CC(C)[C@H](CO)NCF ffe26ee24ee6bc4646a2f8ce01321563 [0,2,0,0,0,0|0,0,0]=2 514 B8R0.15 CC(C)[C@H](CO)NCO 1ea1d275830a729843c5b65fcc5ef8eb [0,2,0,0,0,0|0,0,0]=2 515 B8R0.15 CC(O)C(CO)NC=O a83bc38d243cc7dd66411dfc7cf616cd [0,2,0,0,0,0|1,0,0]=3 516 B8R0.15 CC(O)C(CO)NCF 282b7bce375c8ef68ffaeb9d05e4f222 [0,2,0,0,0,0|1,0,0]=3 517 B8R0.15 CC(O)C(CO)NCO 96053f0b0fe026e99cffa02c8a08ffd7 [0,2,0,0,0,0|1,0,0]=3 518 B8R0.15 CCC(NC=O)C(C)C 86a28708d965127a5e35d4108bf4acb6 [0,2,0,0,0,0|1,0,0]=3 519 B8R0.15 CCC(NCF)C(C)C 9eff5f9660820f9c877d3a3472e4639b [0,2,0,0,0,0|1,0,0]=3 520 B8R0.15 CCC(NCO)C(C)C 39ba9a4710beec3811b0b3d81003bc42 [0,2,0,0,0,0|1,0,0]=3 521 B8R0.15 CCC(OCF)C(C)C 00571321126fa738b7f56d2abdd5da87 [0,2,0,0,0,0|2,0,0]=4 522 B8R0.15 CCCN(CO)C(C)C 9a6ca5d22a743648e8e0f87c1f823109 [0,2,0,0,0,0|2,0,0]=4 523 B8R0.15 CCN(CCO)C(C)C 83c6109915e76aa5a7a721197ef6a0df [0,2,0,0,0,0|2,0,0]=4 524 B8R0.15 CCN(COC)C(C)C ae1f3901b5da4c31a4ff384af0ebf7e6 [0,2,0,0,0,0|2,0,0]=4 525 B8R0.15 CCNC(CC)C(C)C f4db5a514b7a19e99d5d676c90be24b4 [0,2,0,0,0,0|1,0,0]=3 526 B8R0.15 CCNC(CO)C(C)C a20bb1d195ffef6f110d61f40dff75dd [0,2,0,0,0,0|0,0,0]=2 527 B8R0.15 CCNC(CO)C(C)O ad7aae7bb760d2e1b98c8ce7819bdc47 [0,2,0,0,0,0|1,0,0]=3 528 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 9437a38f8b758cb0a592817dd3b24faf [0,2,0,0,0,0|2,0,0]=4 529 B8R0.15 CCN[C@@H](CO)C(C)C ce7761cdb6cf52ca9ed9a6d5f228dd14 [0,2,0,0,0,0|0,0,0]=2 530 B8R0.15 CCN[C@@H](CO)[C@@H](C)O 5e0a77cb5e13b8d713dfcb4bffbd9580 [0,2,0,0,0,0|1,0,0]=3 531 B8R0.15 CCN[C@@H](CO)[C@H](C)O e989700e5854e8bb09de2d57ba60972e [0,2,0,0,0,0|1,0,0]=3 532 B8R0.15 CCN[C@H](CC)[C@@H](C)O 43ee27f39678641d94beb29c7dca4d14 [0,2,0,0,0,0|2,0,0]=4 533 B8R0.15 CCN[C@H](CC)[C@H](C)O 642a6caece15e7ad19edf53bc1e5c46e [0,2,0,0,0,0|2,0,0]=4 534 B8R0.15 CCN[C@H](CO)C(C)C 25b3d22a77656145ec4fbc4cf7315048 [0,2,0,0,0,0|0,0,0]=2 535 B8R0.15 CCN[C@H](CO)[C@@H](C)O 6b6bcea404a72286553397ddb2dfec02 [0,2,0,0,0,0|1,0,0]=3 536 B8R0.15 CCN[C@H](CO)[C@H](C)O 63a966a5dd9e2873bf611f5e8b1501b7 [0,2,0,0,0,0|1,0,0]=3 537 B8R0.15 CCOC(C#N)C(C)C a046b093d6b831211c4840ca5f8a2d99 [0,2,0,0,0,0|1,0,1]=4 538 B8R0.15 CCOC(CC)C(C)C 18c5bc69d3aa8233a4f89cf882d20a96 [0,2,0,0,0,0|2,0,0]=4 539 B8R0.15 CC[C@@H](NC=O)[C@@H](C)O dcbfa4659400af50282bc5c1c117a823 [0,2,0,0,0,0|2,0,0]=4 540 B8R0.15 CC[C@@H](NC=O)[C@H](C)O c5c798676e16c000997108bcf4ad0269 [0,2,0,0,0,0|2,0,0]=4 541 B8R0.15 CC[C@@H](NCF)[C@@H](C)O f0fd448cb9e035454b0f90d59a9df267 [0,2,0,0,0,0|2,0,0]=4 542 B8R0.15 CC[C@@H](NCF)[C@H](C)O da5b1c564a16b45eb6e3836d1c8f0c0d [0,2,0,0,0,0|2,0,0]=4 543 B8R0.15 CC[C@@H](NCO)[C@@H](C)O e456664fb0191ec56e73ac198ac306c0 [0,2,0,0,0,0|2,0,0]=4 544 B8R0.15 CC[C@@H](NCO)[C@H](C)O c6f34c6592d25a01cb9f45bf6a5a523b [0,2,0,0,0,0|2,0,0]=4 545 B8R0.15 CC[C@H](NC=O)[C@@H](C)O 42d26958659efe0c5f860a37090bf7bf [0,2,0,0,0,0|2,0,0]=4 546 B8R0.15 CC[C@H](NCF)[C@@H](C)O 5a655332e5811b022df99da8446bad0c [0,2,0,0,0,0|2,0,0]=4 547 B8R0.15 CC[C@H](NCO)[C@@H](C)O ca58a0526b0145bbe1fae3064916e54a [0,2,0,0,0,0|2,0,0]=4 548 B8R0.15 C[C@@H](O)[C@@H](CO)NC=O 71ce75effa13d34289145c161a9a07ed [0,2,0,0,0,0|1,0,0]=3 549 B8R0.15 C[C@@H](O)[C@@H](CO)NCF 9bda1fac69da0d6167f612069b3bf8b3 [0,2,0,0,0,0|1,0,0]=3 550 B8R0.15 C[C@@H](O)[C@@H](CO)NCO 7ced69b30dfa8ef695135791e278ca0e [0,2,0,0,0,0|1,0,0]=3 551 B8R0.15 C[C@@H](O)[C@H](CO)NC=O 436bf598ce041da1afe592374d3894b2 [0,2,0,0,0,0|1,0,0]=3 552 B8R0.15 C[C@@H](O)[C@H](CO)NCF b25e4fdf178bdc573b3c8c3e18106264 [0,2,0,0,0,0|1,0,0]=3 553 B8R0.15 C[C@@H](O)[C@H](CO)NCO 7d002bff78c58db3422f26951dbe61e0 [0,2,0,0,0,0|1,0,0]=3 554 B8R0.15 C[C@H](O)[C@@H](CO)NC=O 99a1ba04e6ecf906863dabb1ce42f800 [0,2,0,0,0,0|1,0,0]=3 555 B8R0.15 C[C@H](O)[C@@H](CO)NCF 4b5c76cc4b2681a3d2179eb78119e016 [0,2,0,0,0,0|1,0,0]=3 556 B8R0.15 C[C@H](O)[C@@H](CO)NCO 300e87844d1d429506cf445a2d4a2191 [0,2,0,0,0,0|1,0,0]=3 557 B8R0.15 C[C@H](O)[C@H](CO)NC=O e7ebcffbd2ba75496d597e99f574d8f3 [0,2,0,0,0,0|1,0,0]=3 558 B8R0.15 C[C@H](O)[C@H](CO)NCF a55a7b3ad09c62a2d2971bb99220b82d [0,2,0,0,0,0|1,0,0]=3 559 B8R0.15 C[C@H](O)[C@H](CO)NCO af3f0af477fe0b726ae79665dc4b463f [0,2,0,0,0,0|1,0,0]=3 560 B8R0.13 CCC(C)(C)N(C)CO d0703ea5bab7bc0966dd29588efe5fb9 [0,2,0,0,0,0|2,0,0]=4 561 B8R0.13 CCN(C)C(C)(C)CO 3d94a14cec163e3433b88790d9d42eea [0,2,0,0,0,0|2,0,0]=4 562 B8R0.13 CN(CF)C(C)(C)CO f38719b4716447b5aa1b8b8871be65e7 [0,2,0,0,0,0|2,0,0]=4 563 B8R0.13 CN(CO)C(C)(C)CO a635a6bd9126094d509c7364ffed5d8e [0,2,0,0,0,0|2,0,0]=4 564 B8R0.20 CCC(CC)N(C)CO 4dd0b0b1fc7723f77dc1db0429cbe365 [0,2,0,0,0,0|2,0,0]=4 565 B8R0.20 CCC(CO)N(C)CC 968123e9756e6c80ad15043b5c89d160 [0,2,0,0,0,0|2,0,0]=4 566 B8R0.20 CCN(C)C(CO)CO d243de07764594d8107e135d02a85a1d [0,2,0,0,0,0|2,0,0]=4 567 B8R0.20 CCN(CC)C(C)CO 5b978e591d671976c12f72e61d3eb8c9 [0,2,0,0,0,0|2,0,0]=4 568 B8R0.20 CCN(CF)C(C)CO 3646d37e45cd570c35d56417896e219c [0,2,0,0,0,0|2,0,0]=4 569 B8R0.20 CCN(CO)C(C)CO 47eee170e7725609d855069cf15d4d62 [0,2,0,0,0,0|2,0,0]=4 570 B8R0.26 CC(C)(C)N(C#N)CO a9f4a76549c851b1f489d3de6fa40fa0 [0,2,0,0,0,0|1,0,1]=4 571 B8R0.26 CCN(CO)C(C)(C)C 394f4de2c3dc1cb23fb4299c59cdb8c5 [0,2,0,0,0,0|2,0,0]=4 572 B8R0.18 CC(C)N(CO)C(C)C ca7a0cd72cac157f5eb07ce67632f640 [0,2,0,0,0,0|2,0,0]=4 573 B6R1.3 CCNC1CC1 ac3981af76d7269974e900b3cfc5de71 [1,0,0,1,0,0|2,0,0]=4 574 B6R1.3 CCOC1CC1 2c69a519fd7808244f9f88e8c40da7c1 [1,0,0,1,0,0|2,0,0]=4 575 B6R1.3 FCNC1CC1 1715feed97cb051cb760323cf608febe [1,0,0,1,0,0|2,0,0]=4 576 B6R1.3 FCOC1CC1 c80b7a723f6ace17df2859b2130f1eb6 [1,0,0,1,0,0|2,0,0]=4 577 B6R1.3 OCNC1CC1 101960c0f522708da07270474b234f44 [1,0,0,1,0,0|1,0,0]=3 578 B6R1.6 OCN1CCC1 f3cac714768fc30717bf6da5686dc581 [1,0,0,1,0,0|2,0,0]=4 579 B8R1.1 CC1CCN(C1)CO 35ec454f519cadc0e2b5b2b07f513132 [0,0,0,1,0,1|2,0,0]=4 580 B8R1.20 CC(C)NC1CC1C abccfd7ee353db4e1bbbc4dbe367e3e5 [0,0,0,1,0,1|2,0,0]=4 581 B8R1.20 CC(C)N[C@@H]1C[C@H]1F e65d02673ee32aff6c70934dc3da7e24 [0,0,0,1,0,1|2,0,0]=4 582 B8R1.20 CC(C)N[C@H]1C[C@@H]1F 1393df251979181d98c09bbcd4004866 [0,0,0,1,0,1|2,0,0]=4 583 B8R1.20 CC(C)N[C@H]1C[C@H]1F 951f1399a33917a3821bcfd9d1590a56 [0,0,0,1,0,1|2,0,0]=4 584 B8R1.34 CC(C)NC1CCC1 c4700c83194fa65555595d2ad57dbc32 [0,0,0,1,0,1|2,0,0]=4 585 B8R1.34 CC(C)NC1COC1 d17f82a7370ef97b25be449f743e8261 [0,0,0,1,0,1|1,0,0]=3 586 B8R1.34 CC(C)OC1CCC1 48443e3318a1759f4b9f0cc03f7ce9f5 [0,0,0,1,0,1|2,0,0]=4 587 B8R1.34 CC(C)OC1COC1 32a956515674200eab69d53784a53442 [0,0,0,1,0,1|1,0,0]=3 588 B8R1.34 CC(C)OC1CSC1 0f80c8ae8ac6e64e127bfe2c23fbf2f7 [0,0,0,1,0,1|1,1,0]=4 589 B8R1.40 CC(CF)OC1CC1 9d22c40342837e285679ed10b765ed68 [0,0,0,1,0,1|2,0,0]=4 590 B8R1.40 CC(CO)NC1CC1 f6311cf67b6ba2204bab0dbb44a50bbc [0,0,0,1,0,1|1,0,0]=3 591 B8R1.40 CC(CS)OC1CC1 1cc1fbd573f5592ba9ac6a9c397c7ffe [0,0,0,1,0,1|1,1,0]=4 592 B8R1.40 CCC(C)NC1CC1 94875b9551eba0e9bd26195acf68922b [0,0,0,1,0,1|2,0,0]=4 593 B8R1.40 CCC(C)OC1CC1 68ed2fdfe0b177445d70e3d5225b65a4 [0,0,0,1,0,1|2,0,0]=4 594 B8R1.40 CC[C@@H](C)NC1CC1 410d7c870d4447260edc03bb5a83de89 [0,0,0,1,0,1|2,0,0]=4 595 B8R1.40 CC[C@@H](C)OC1CC1 c589c35c96af6e1ebe99b6ae61ff931b [0,0,0,1,0,1|2,0,0]=4 596 B8R1.40 CC[C@H](C)NC1CC1 ebb7f6954df91dc6276951b58ca4e4c7 [0,0,0,1,0,1|2,0,0]=4 597 B8R1.40 CC[C@H](C)OC1CC1 382e57974f1b3878c3e0abed45ea3f80 [0,0,0,1,0,1|2,0,0]=4 598 B8R1.40 CN(CO)CC1CC1 72ad48a4f4008a698952e2e0f78177c8 [0,0,0,1,0,1|2,0,0]=4 599 B8R1.40 C[C@@H](CO)NC1CC1 7e427586366729fe4f61e71114561a17 [0,0,0,1,0,1|1,0,0]=3 600 B8R1.40 C[C@H](CO)NC1CC1 3cceec23b2cf4de9d69e8ea47c15666a [0,0,0,1,0,1|1,0,0]=3 601 B8R1.40 C[C@H](CS)OC1CC1 50918c01cc5c7ddcaaabeee7f9e80488 [0,0,0,1,0,1|1,1,0]=4 602 B8R1.40 O=C(CO)NC1CC1 bb096758b55cfb0505bd2d10961bc923 [0,0,0,1,0,1|1,0,1]=4 603 B8R1.42 CC(C)NC1(CC1)C 7a8a390875d91770b0cf03a65134594a [0,0,0,1,0,1|2,0,0]=4 604 B8R1.53 CC1(CN(C1)CO)C d014fde87d0d760662d74625985dd8e9 [0,0,0,1,0,1|2,0,0]=4 605 B8R1.13 CC1OCC1NCO 9cfb96188a625e9112cbf03494a5058b [0,1,0,1,0,0|2,0,0]=4 606 B8R1.13 CCN[C@@H]1CC[C@H]1C b2a7a1306f6d284a439c237328784f14 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.13 CCN[C@H]1CC[C@H]1C afc3ebb3c9df554bbf3e4778dd720d68 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.13 C[C@@H]1CC[C@@H]1NCF 6b38eed80c01be6c9debc46a3a554bff [0,1,0,1,0,0|2,0,0]=4 609 B8R1.13 C[C@@H]1CC[C@@H]1NCO 2960d592a0e513b93c75efb384f4f549 [0,1,0,1,0,0|1,0,0]=3 610 B8R1.13 C[C@@H]1CC[C@H]1NCF 942b8307f34c60e7d4ef1a19714a9740 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.13 C[C@@H]1CC[C@H]1NCO 451b99fc958d625f841e0dfd131356c8 [0,1,0,1,0,0|1,0,0]=3 612 B8R1.13 OCNC1CCC1F ac2d6566e7c5b3bc373e327a47cf999c [0,1,0,1,0,0|2,0,0]=4 613 B8R1.13 OCNC1CCC1O ee3d1ca48a3a8027104c31b638f55ef5 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.13 OCN[C@@H]1CC[C@@H]1O fc73bae007c62d0d044e9a1d9eb62eb2 [0,1,0,1,0,0|2,0,0]=4 615 B8R1.13 OCN[C@@H]1CC[C@H]1O 06327c2896ffa6f771953b4ac9aab6b0 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.13 OCN[C@H]1CC[C@@H]1O 7e11d05646534378fc00e5b3d5382683 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.13 OCN[C@H]1CC[C@H]1O 6cb11bc302f667e46ffb6e15bc1b294f [0,1,0,1,0,0|2,0,0]=4 618 B8R1.23 CC(C)N1CC(C1)O 19e365516feb7ed51e529f5f1cf8feb5 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.27 CC1(CC1NCF)C ea374f7c9e5f3c0b2b5e2f419336e743 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.27 CC1(CC1NCO)C cb0b6f24609ddb35c244d59af169b5f2 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.27 CC1(CN1CCO)C 617d1ee8716018a9f67b571bc1788b25 [0,1,0,1,0,0|2,0,0]=4 622 B8R1.27 CC1(C[C@@H]1NCF)C 328944cb71cc830c45968be936f971b8 [0,1,0,1,0,0|2,0,0]=4 623 B8R1.27 CC1(C[C@@H]1NCO)C 8776160ae447ba4a0be869eb874c121e [0,1,0,1,0,0|1,0,0]=3 624 B8R1.27 CC1(C[C@H]1NCF)C 45534cc0aca61fbb4c2e915287c57ea1 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.27 CC1(C[C@H]1NCO)C b1cd2ba6f353b0856ac6e67d6b285e85 [0,1,0,1,0,0|1,0,0]=3 626 B8R1.27 CCNC1CC1(C)C 377200e905bd427dd476cb502c8985e2 [0,1,0,1,0,0|2,0,0]=4 627 B8R1.27 CCN[C@@H]1CC1(C)C 4b31feb8a82d17b08f36ac488ea58a04 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.27 CCN[C@H]1CC1(C)C 5da310dc656323b6a5464b290f757f38 [0,1,0,1,0,0|2,0,0]=4 629 B8R1.27 COCN1CC1(C)C df80ce0d3b8943fe57462e570a840ca3 [0,1,0,1,0,0|2,0,0]=4 630 B8R1.37 CC(OCF)C1CC1 fdfda646e62029811343f42e17866105 [0,1,0,1,0,0|2,0,0]=4 631 B8R1.37 CCN[C@@H](C)C1CC1 85a51bcbc9c68e01caf4bec9670fa8b0 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.37 CCN[C@H](C)C1CC1 dec2ed19b3db3f3a8d17077be18767e3 [0,1,0,1,0,0|2,0,0]=4 633 B8R1.37 CCOC(C)C1CC1 526fc3f0c823fc41b9199d1aa6541386 [0,1,0,1,0,0|2,0,0]=4 634 B8R1.37 CCO[C@@H](C)C1CC1 b9ad01da095d4dd4d383aa1d3c7eee6a [0,1,0,1,0,0|2,0,0]=4 635 B8R1.37 CCO[C@H](C)C1CC1 9827b3948c8d24070570177d9e2b7efe [0,1,0,1,0,0|2,0,0]=4 636 B8R1.37 CN(CCO)C1CC1 80457e02321af0fbdb8d8ff6f9046346 [0,1,0,1,0,0|2,0,0]=4 637 B8R1.37 COCN(C)C1CC1 6dd9bf20afcc76b2166e7bbf95e1166b [0,1,0,1,0,0|2,0,0]=4 638 B8R1.37 C[C@@H](NCF)C1CC1 055bff5f2bd8215f610b2ac5e4f9afdc [0,1,0,1,0,0|2,0,0]=4 639 B8R1.37 C[C@@H](NCO)C1CC1 a8252d7ff28f78efa26a1275681d8891 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.37 C[C@@H](OCF)C1CC1 0b8c2a64c96de3b0209f5e698fd7dcff [0,1,0,1,0,0|2,0,0]=4 641 B8R1.37 C[C@H](NCF)C1CC1 1abe0de3c2e4e2f1159cb9ae8e365632 [0,1,0,1,0,0|2,0,0]=4 642 B8R1.37 C[C@H](NCO)C1CC1 e2c3fe94ce0d8db741d7237664f9e7a1 [0,1,0,1,0,0|1,0,0]=3 643 B8R1.37 C[C@H](OCF)C1CC1 dd71818f1bf1adfa35802aaa479603bf [0,1,0,1,0,0|2,0,0]=4 644 B8R1.11 CC1CCCN1CO 54974954fab0e072c3e5d67d217551d6 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.11 CC1SCCN1CO b0a76bbb389aad74120dd519ae652ff1 [0,1,0,1,0,0|2,0,0]=4 646 B8R1.11 C[C@@H]1CCCN1CO 4fcb8232d21346615f4cbb83427dc320 [0,1,0,1,0,0|2,0,0]=4 647 B8R1.11 C[C@H]1CCCN1CO 2f61618a874473c8038742f46c63e99b [0,1,0,1,0,0|2,0,0]=4 648 B8R1.12 CCC1CCN1CO caf0ac1fced23c53f6877050d9fa7187 [0,1,0,1,0,0|2,0,0]=4 649 B8R1.12 CCN1CCC1CO 4a86a7023e5eed3f4bee98bf807599f5 [0,1,0,1,0,0|2,0,0]=4 650 B8R1.12 CCN1CC[C@@H]1CO 889ccfb257cad18d8dd60c85bff286ee [0,1,0,1,0,0|2,0,0]=4 651 B8R1.12 CCN1CC[C@H]1CO 7975cca06fafca3d5a4bc8349f95250e [0,1,0,1,0,0|2,0,0]=4 652 B8R1.12 OCC1CCN1CF 54c9da261877e12e7953220dc99ac886 [0,1,0,1,0,0|2,0,0]=4 653 B8R1.12 OCC1CCN1CO 6f5999e2d6210a45899e16922fbbca8c [0,1,0,1,0,0|2,0,0]=4 654 B8R1.12 OC[C@@H]1CCN1CF 3ace3005e70dcc5f7c624bd2ca1ff323 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.12 OC[C@@H]1CCN1CO a558872b42b196932e71111ad2bff9a1 [0,1,0,1,0,0|2,0,0]=4 656 B8R1.12 OC[C@H]1CCN1CF ad8d3d64cf5f70e33b7fd74857a35e0d [0,1,0,1,0,0|2,0,0]=4 657 B8R1.12 OC[C@H]1CCN1CO 340168ce4e6427066968812c13eb91da [0,1,0,1,0,0|2,0,0]=4 658 B8R1.38 CC(CO)N1CCC1 17406c9203d8e72d48f6ddab3efe5d12 [0,1,0,1,0,0|2,0,0]=4 659 B8R1.38 CCN(C)C1COC1 da9a6247ddb5760e53780832feb6c9df [0,1,0,1,0,0|2,0,0]=4 660 B8R1.38 CN(CF)C1COC1 3e9033ebf6cb1a9a42f7619bd27eb8aa [0,1,0,1,0,0|2,0,0]=4 661 B8R1.38 CN(CO)C1CCC1 a870c0945f9b171d7c0b452eacea3131 [0,1,0,1,0,0|2,0,0]=4 662 B8R1.38 CN(CO)C1COC1 1207e6612a2fb924727d09a78daa6d9c [0,1,0,1,0,0|2,0,0]=4 663 B8R1.38 C[C@@H](CO)N1CCC1 a5183cd4689b71df517e19607edfa1f6 [0,1,0,1,0,0|2,0,0]=4 664 B8R1.38 C[C@H](CO)N1CCC1 1eed403494a16ee2f239b1a58a50fdd6 [0,1,0,1,0,0|2,0,0]=4 665 B8R1.39 CN(CO)C1(CC1)C ce02e177c697cd7f99c2fdb5c61f693d [0,1,0,1,0,0|2,0,0]=4 666 B8R1.16 CC1CC(N1CO)C 0d2cc050f7f7306033a09e6f9a4e942c [0,1,0,1,0,0|2,0,0]=4 667 B8R1.16 C[C@@H]1C[C@@H](N1CO)C 18f7bbadc01c95286f3cf39c2fbf1570 [0,1,0,1,0,0|2,0,0]=4 668 B8R1.16 C[C@@H]1C[C@H](N1CO)C 41ebbbcfbee3186005b95ab10e69c145 [0,1,0,1,0,0|2,0,0]=4 669 B8R1.16 C[C@H]1C[C@@H](N1CO)C 2e0ec9fe5aa6c39451de63c0534f47eb [0,1,0,1,0,0|2,0,0]=4 670 B8R1.33 CCN(CO)C1CC1 f84b0e969411df23ddfa09dc1cc6fa33 [0,1,0,1,0,0|2,0,0]=4 671 B8R0.9 CC(C)CCN(C)CO f141a62767fa31ad71a19f797e7ee8f2 [0,0,0,0,0,2|2,0,0]=4 672 B8R0.9 CC(C)CNC(=O)CO 748dd4a1556e9d036080c13c38338fdb [0,0,0,0,0,2|1,0,1]=4 673 B8R0.9 CC(C)CNC(C)CO aeb39a69125a8116b2d666aabffee368 [0,0,0,0,0,2|1,0,0]=3 674 B8R0.9 CC(C)CN[C@@H](C)CO a48e86d82c35fbf8dc46c7829eb1eaf7 [0,0,0,0,0,2|1,0,0]=3 675 B8R0.9 CC(C)CN[C@H](C)CO de58f1f480131f7b21c40f2c3fccea42 [0,0,0,0,0,2|1,0,0]=3 676 B8R0.9 CC(C)COC(C)CF 0be8e06678504191ee4b6626cac08c2c [0,0,0,0,0,2|2,0,0]=4 677 B8R0.9 CC(C)COC(C)CS cb10ee8a511da43c5e6113f578a84515 [0,0,0,0,0,2|1,1,0]=4 678 B8R0.9 CC(C)CO[C@H](C)CS 7373a4fac1ad6f05f5272187b0df6f4e [0,0,0,0,0,2|1,1,0]=4 679 B8R0.9 CC(C)NCC(Br)CBr 203183e6f7489b9df942324caedc0e46 [0,0,0,0,0,2|2,0,0]=4 680 B8R0.9 CC(C)NCC(F)CO 57945639b2aa5eadc3925f215efa7d75 [0,0,0,0,0,2|1,0,0]=3 681 B8R0.9 CC(C)NCC(O)CO c4c4b95ef9e7e99b58507370307de3cd [0,0,0,0,0,2|1,0,0]=3 682 B8R0.9 CC(C)NC[C@@H](F)CO f5fc97f4a19a821fbb0f5991a2377115 [0,0,0,0,0,2|1,0,0]=3 683 B8R0.9 CC(C)NC[C@@H](O)CO 4ed7ffd88ee5a4ec2e5ace2cbcdac84e [0,0,0,0,0,2|1,0,0]=3 684 B8R0.9 CC(C)NC[C@H](C)CO e9adf2a77c54dea0e47e774e7144a50c [0,0,0,0,0,2|1,0,0]=3 685 B8R0.9 CC(C)NC[C@H](F)CO 80e5cd77bb3f635b441bec4926980c30 [0,0,0,0,0,2|1,0,0]=3 686 B8R0.9 CC(C)NC[C@H](O)CO a6cbe2fe699ae5eae98d67fbc9aac7de [0,0,0,0,0,2|1,0,0]=3 687 B8R0.9 CC(C)OCC(Br)CBr 6d1bf3b075957d7631a5bda8a5b311de [0,0,0,0,0,2|2,0,0]=4 688 B8R0.9 CC(C)OCC(Cl)CCl 2bba0a1995aba4d0bfb03e3b7feb705a [0,0,0,0,0,2|2,0,0]=4 689 B8R0.9 CC(C)OCC(O)CO 0e89e061c2e4cf11ff7262059210fdde [0,0,0,0,0,2|1,0,0]=3 690 B8R0.9 CC(C)OCC(S)CS 0450a00653980b07d552e8842ebfd89b [0,0,0,0,0,2|1,1,0]=4 691 B8R0.9 CC(C)OC[C@@H](O)CO 3849c2737d80ec90a6ea6c8da3ef06fb [0,0,0,0,0,2|1,0,0]=3 692 B8R0.9 CC(C)OC[C@H](O)CO 24bdf2b3dd73700f7d482e7b53b23924 [0,0,0,0,0,2|1,0,0]=3 693 B8R0.9 CC(CO)CNC(C)C 8a23f9be65dcc9a39c28dfdb6031b0d4 [0,0,0,0,0,2|1,0,0]=3 694 B8R0.9 CC(CO)NCN(C)C 9f334c9a32600ad6ec37d22a14ae3c93 [0,0,0,0,0,2|2,0,0]=4 695 B8R0.9 CC(CO)NC[C@@H](C)O b3b457ca8971b770f5960d70ecaa3b4d [0,0,0,0,0,2|2,0,0]=4 696 B8R0.9 CC(CO)NC[C@H](C)O 4b77979cdca58e53e46d0a0730b80eb6 [0,0,0,0,0,2|2,0,0]=4 697 B8R0.9 CC(O)CNC(C)CO a1b9fd4e4c8e5407d8f4c38ea7432000 [0,0,0,0,0,2|2,0,0]=4 698 B8R0.9 CC(O)CN[C@@H](C)CO fa8ddd2915181b209ca8cd0f4cac931d [0,0,0,0,0,2|2,0,0]=4 699 B8R0.9 CC(O)CN[C@H](C)CO 0a4874882b4a2730c218e76ea399d233 [0,0,0,0,0,2|2,0,0]=4 700 B8R0.9 CCC(C)CNC(C)C 9b22fec9421f72c4c7069f08eeceb961 [0,0,0,0,0,2|2,0,0]=4 701 B8R0.9 CCC(C)COC(C)C 89140aa94488bac2672b51951396900c [0,0,0,0,0,2|2,0,0]=4 702 B8R0.9 CCC(C)NCC(C)C 0af4d6f3dad4a1fd6ba7feec2c98edc9 [0,0,0,0,0,2|2,0,0]=4 703 B8R0.9 CCC(C)OCC(C)C 94adce536ef43774d73b8b91df56b54a [0,0,0,0,0,2|2,0,0]=4 704 B8R0.9 CCC(O)CNC(C)C 71d0e78d5d3d6ddfb7afb7fb5ab010cd [0,0,0,0,0,2|2,0,0]=4 705 B8R0.9 CC[C@@H](C)COC(C)C dc0c1657b56896a2f1684dba0e5f4146 [0,0,0,0,0,2|2,0,0]=4 706 B8R0.9 CC[C@@H](C)NCC(C)C a85721f9bf2f20f81d144de1a37e6fff [0,0,0,0,0,2|2,0,0]=4 707 B8R0.9 CC[C@@H](C)OCC(C)C 555334e47789bc366cc5b9b7c24f502e [0,0,0,0,0,2|2,0,0]=4 708 B8R0.9 CC[C@@H](O)CNC(C)C 0b13dd23b5427cc29a52929b73be7d43 [0,0,0,0,0,2|2,0,0]=4 709 B8R0.9 CC[C@H](C)CNC(C)C 51bac89f8a94c583d3620c5691a65724 [0,0,0,0,0,2|2,0,0]=4 710 B8R0.9 CC[C@H](C)COC(C)C 4c1bf27a91b2a1be4e163836e33843e7 [0,0,0,0,0,2|2,0,0]=4 711 B8R0.9 CC[C@H](C)NCC(C)C 3e34629dbba78b6d192ded3bac89ba6f [0,0,0,0,0,2|2,0,0]=4 712 B8R0.9 CC[C@H](C)OCC(C)C 5cf0f20f2e3b8b673a5127012ceee597 [0,0,0,0,0,2|2,0,0]=4 713 B8R0.9 C[C@@H](CO)NCN(C)C 760502b538f2077bccfcc9e3d0290502 [0,0,0,0,0,2|2,0,0]=4 714 B8R0.9 C[C@@H](O)CN[C@@H](C)CO 3ae1deb582924f94cf5f62861ba15598 [0,0,0,0,0,2|2,0,0]=4 715 B8R0.9 C[C@H](CO)NCN(C)C ac64443f3863360bbcaabbdf1fd1065c [0,0,0,0,0,2|2,0,0]=4 716 B8R0.9 C[C@H](CO)NC[C@@H](C)O 0c791e5e7d94d2a38d5f859dad7628f0 [0,0,0,0,0,2|2,0,0]=4 717 B8R0.9 C[C@H](O)CN[C@@H](C)CO ccedc2ee6039e5ae689a515db1821b9d [0,0,0,0,0,2|2,0,0]=4 718 B8R0.9 C[C@H](O)CN[C@H](C)CO 16e70066eda8e6ba0018098e6ed94053 [0,0,0,0,0,2|2,0,0]=4