0 B10R1.245 CC1CCCC(N1C=O)C 1a30b5cb607c77faa4597603dd875d8f [0,1,0,0,0,0|2,0,1]=4 1 B10R1.245 C[C@@H]1CCC[C@@H](N1C=O)C a6d663435f3f86501af6d316ae61f032 [0,1,0,0,0,0|2,0,1]=4 2 B10R1.245 C[C@@H]1CCC[C@H](N1C=O)C 854deca45d05ea72b33eea6028c2f268 [0,1,0,0,0,0|2,0,1]=4 3 B10R1.245 C[C@H]1CCC[C@@H](N1C=O)C 622b818546739aa55bd37329ec1c59c9 [0,1,0,0,0,0|2,0,1]=4 4 B8R0.2 C=C(Br)C(=O)N(C)CC 499ad51b72bc9fbfae6b7a8a6ef82289 [0,0,1,0,0,0|2,0,1]=4 5 B8R0.2 C=C(C)C(=O)N(C)CC 6ad58cb6364f07a649e141535260901d [0,0,1,0,0,0|2,0,0]=3 6 B8R0.2 C=C(Cl)C(=O)N(C)CC 68660d5b096ebe21061ad8093614bb89 [0,0,1,0,0,0|2,0,1]=4 7 B8R0.2 C=C(F)C(=O)N(C)CC c4e15bc9d415156035a5b26d7d6c9574 [0,0,1,0,0,0|2,0,1]=4 8 B8R0.2 CC(=O)N(C)C(C)CO 954909c32608c887b20279d0f2f3780c [0,0,1,0,0,0|3,0,0]=4 9 B8R0.2 CC(=O)N(C)[C@@H](C)CO 225dc8a4ffcea4cd61a90a38a4080118 [0,0,1,0,0,0|3,0,0]=4 10 B8R0.2 CC(=O)N(C)[C@H](C)CO de33b62e9836c68164793809e4e8e5b1 [0,0,1,0,0,0|3,0,0]=4 11 B8R0.2 CC(C)N(C)C(=O)CO d1898419d3ec12ff050916a4a6cb896f [0,0,1,0,0,0|3,0,0]=4 12 B8R0.2 CCC(=O)N(C)C(C)C 3feb699597734e703dbc4fe539ecb6bb [0,0,1,0,0,0|2,0,0]=3 13 B8R0.2 CCC(C)N(C)C(=O)C 086f7eb815f719734067083abba6aada [0,0,1,0,0,0|2,0,0]=3 14 B8R0.2 CCN(C)C(=O)C(=O)C f60b3512bf731817ed8f594771284a74 [0,0,1,0,0,0|1,0,0]=2 15 B8R0.2 CCN(C)C(=O)C(=O)N 7875f40b4ff30daf1968926d7731bc9e [0,0,1,0,0,0|2,0,0]=3 16 B8R0.2 CCN(C)C(=O)C(C)F 19b9ff8d46076997b028bc3c05129e24 [0,0,1,0,0,0|2,0,1]=4 17 B8R0.2 CCN(C)C(=O)C(C)O a5352a247e4fbdbde43951bdd76212cf [0,0,1,0,0,0|1,0,2]=4 18 B8R0.2 CCN(C)C(=O)C(C)S 90f65a1dd234927c177aa83dd88742df [0,0,1,0,0,0|1,1,1]=4 19 B8R0.2 CCN(C)C(=O)[C@@H](C)F 98c85f2c98da43a1b0d0fc26fa39c6bb [0,0,1,0,0,0|2,0,1]=4 20 B8R0.2 CCN(C)C(=O)[C@@H](C)O c93f85b1b0b9a2ae0efa6c73e0a102c2 [0,0,1,0,0,0|1,0,2]=4 21 B8R0.2 CCN(C)C(=O)[C@H](C)F aea23cf9051deae31a359b32bf8bf1d7 [0,0,1,0,0,0|2,0,1]=4 22 B8R0.2 CCN(C)C(=O)[C@H](C)O fffa58851af97e9d3a93b166b97ca289 [0,0,1,0,0,0|1,0,2]=4 23 B8R0.2 CCN(C)C(C)C(=O)C b0aebe8e13e2528b49b039e15b578c7c [0,0,1,0,0,0|2,0,1]=4 24 B8R0.3 C#CC(=O)N(C)CCC e31f79932e58626d6b59443bb0ca318b [0,0,1,0,0,0|2,0,1]=4 25 B8R0.3 C#CCN(C)C(=O)C=O 87e6040aea9f98cbeeb3c99697aa90eb [0,0,1,0,0,0|1,0,2]=4 26 B8R0.3 C=CC(=O)N(C)CCC f05c81ec6e4b8b88c210d66f3d63ec26 [0,0,1,0,0,0|2,0,0]=3 27 B8R0.3 C=CC(=O)N(C)CCF b16d2ea003d5b2c85b6c28e1501fbd65 [0,0,1,0,0,0|3,0,0]=4 28 B8R0.3 C=CC(=O)N(C)CCO 8f82665d433f37172e45b06c716f6150 [0,0,1,0,0,0|3,0,0]=4 29 B8R0.3 C=CCN(C)C(=O)C=O 88d2eeb760a91774868c013686b4311e [0,0,1,0,0,0|1,0,2]=4 30 B8R0.3 CC(CCO)N(C)C=O 5555bcf9461e7743273bcd7e0352a154 [0,0,1,0,0,0|3,0,0]=4 31 B8R0.3 CCC(=O)C(=O)NC#N b79908edefc1d4286650401c0b6ff174 [0,0,1,0,0,0|2,0,1]=4 32 B8R0.3 CCC(=O)N(C)CCF 318a2530a556961418490c44b6c90fdd [0,0,1,0,0,0|3,0,0]=4 33 B8R0.3 CCC(=O)N(C)CCO e0dd9f4a6beab4473ee465efb09f2b8e [0,0,1,0,0,0|3,0,0]=4 34 B8R0.3 CCCC(=O)N(C)CC d5f34bd9db3ccc82fc95365990f29579 [0,0,1,0,0,0|2,0,0]=3 35 B8R0.3 CCCN(C)C(=O)C=O ae9046810fc57b836f1225fb4fa409a0 [0,0,1,0,0,0|1,0,0]=2 36 B8R0.3 CCCN(C)C(=O)CC ad1ab8a0f5c07e6ab73ee22aeb9c71a9 [0,0,1,0,0,0|2,0,0]=3 37 B8R0.3 CCCN(C)C(=O)CF 080c0d4ce746cadf5e3f0d9a56835299 [0,0,1,0,0,0|2,0,1]=4 38 B8R0.3 CCCN(C)C(=O)CO daa5d896fade5a1be51c39257fa3d5b8 [0,0,1,0,0,0|1,0,2]=4 39 B8R0.3 CCCN(C)C(=O)CS bcfb0bbfdb716f32aeb6ae13debe4701 [0,0,1,0,0,0|1,1,1]=4 40 B8R0.3 CCCN(C)C(C)C=O e6473a1a6d02a5e82b6c038acd576da0 [0,0,1,0,0,0|2,0,1]=4 41 B8R0.3 CCCN(C)[C@H](C)C=O 3790552277429781db5f53610a8878f0 [0,0,1,0,0,0|2,0,1]=4 42 B8R0.3 CCN(C)C(=O)CCF e5a9ff21e8c2fcaad476896c3478fe71 [0,0,1,0,0,0|3,0,0]=4 43 B8R0.3 CCN(C)C(=O)CCO a768fc1ddb9cd71dd31e098b1227291c [0,0,1,0,0,0|3,0,0]=4 44 B8R0.3 CCN(C)C(=O)CCS 9063f4e5b939dc91c720aeb631377d8b [0,0,1,0,0,0|3,0,0]=4 45 B8R0.3 CCN(C)C(=O)COC bc075abf9590b9fbb9912b8588e5739b [0,0,1,0,0,0|3,0,0]=4 46 B8R0.3 CCN(C)C(=O)CSC de841dcb44287d75dce30d4bffb7e292 [0,0,1,0,0,0|3,0,0]=4 47 B8R0.3 CCNC(C)C(=O)NC 54efcfcba9f244b93d368cc4afd291fa [0,0,1,0,0,0|3,0,0]=4 48 B8R0.3 CCOC(C)C(=O)OC 80e77c6690e50b9ea6c936f76ec2b497 [0,0,1,0,0,0|3,0,0]=4 49 B8R0.3 CCO[C@@H](C)C(=O)OC 0a1ea57ffacb6be3b6716af86dc8a3ee [0,0,1,0,0,0|3,0,0]=4 50 B8R0.3 CCO[C@H](C)C(=O)OC e42a135486ef83da240a803941dd4003 [0,0,1,0,0,0|3,0,0]=4 51 B8R0.3 CN(CC#N)C(=O)C=O a2a41f21b3e21ac41c307da71cf76a4f [0,0,1,0,0,0|2,0,1]=4 52 B8R0.3 CN(CCF)C(=O)C=O 2d4d6c036bfaae5cf5ff4b8af5585f86 [0,0,1,0,0,0|2,0,0]=3 53 B8R0.3 CN(CCO)C(=O)C=O c424f369a46eb37de0e242add0fa3921 [0,0,1,0,0,0|2,0,0]=3 54 B8R0.3 C[C@@H](CCO)N(C)C=O 745e3e839cb6abf8e6c7990ccbf7d930 [0,0,1,0,0,0|3,0,0]=4 55 B8R0.6 C#CC(=O)NCCCC 7b05ebf03d7d7168df7348c28a985d62 [0,0,1,0,0,0|2,0,1]=4 56 B8R0.6 C#CC(C)NCCC=O b9c5b6ba8cfb4703ce184973d7d00c34 [0,0,1,0,0,0|2,0,1]=4 57 B8R0.6 C#CC(C)OCCC=O b4f26efb44146120dac4c2f499518b75 [0,0,1,0,0,0|2,0,1]=4 58 B8R0.6 C#CCCNC(=O)C=O e9bf6e501e557dffa4e32772e34af582 [0,0,1,0,0,0|1,0,2]=4 59 B8R0.6 C#CCCNC(C)C=O ea754782fa55ced8189bbcc7eaa92b40 [0,0,1,0,0,0|2,0,1]=4 60 B8R0.6 C#CCCN[C@H](C)C=O eb1b7b635f9c185e8e4fe6309fe8ab77 [0,0,1,0,0,0|2,0,1]=4 61 B8R0.6 C#CCCOC(C)C=O 6d0394650a52cdfe9e130a150fee6f84 [0,0,1,0,0,0|2,0,1]=4 62 B8R0.6 C#CCCO[C@H](C)C=O ba4c2f460be01a31770f9ee439a60bc0 [0,0,1,0,0,0|2,0,1]=4 63 B8R0.6 C#C[C@@H](C)NCCC=O b812c862625c4e6478a179cd48b74fa0 [0,0,1,0,0,0|2,0,1]=4 64 B8R0.6 C#C[C@@H](C)OCCC=O 1b5d14ca063cbe7e9022b4c05ac12aee [0,0,1,0,0,0|2,0,1]=4 65 B8R0.6 C#C[C@H](C)NCCC=O 60f4e36e697fd4ebabd9745a90d09b82 [0,0,1,0,0,0|2,0,1]=4 66 B8R0.6 C#C[C@H](C)OCCC=O 69494d0b919c0bc0fbbc271ade219f3c [0,0,1,0,0,0|2,0,1]=4 67 B8R0.6 C/C(=C\I)/COCC=O d24ecd4e9d90b27c0cfbb39972f8ce8c [0,0,1,0,0,0|2,0,1]=4 68 B8R0.6 C/C=C/COC(C)C=O fa131e4f23e9c9657b7f6224894d03d7 [0,0,1,0,0,0|2,0,1]=4 69 B8R0.6 C/C=C/CO[C@H](C)C=O 72678772068428946892afa70dba2cac [0,0,1,0,0,0|2,0,1]=4 70 B8R0.6 C/C=C\COC(C)C=O 0c0befa84e3b57906471d374030127b5 [0,0,1,0,0,0|2,0,1]=4 71 B8R0.6 C/C=C\CO[C@H](C)C=O 8d26d4e9027cf2c34d2202ac82180bcf [0,0,1,0,0,0|2,0,1]=4 72 B8R0.6 C=C(C=O)OCCC=O 03e3b0f30dff9e6e201239f7fce37dcd [0,0,1,0,0,0|1,0,2]=4 73 B8R0.6 C=C(C=O)OCCCC 6ce71ca855175b3f8b8b50951f61cb4c [0,0,1,0,0,0|2,0,0]=3 74 B8R0.6 C=C(C=O)OCCCF 0eb811d6f95a63d3bfd1c30c0420353a [0,0,1,0,0,0|3,0,0]=4 75 B8R0.6 C=C(C=O)OCCCS f4c5b5b4eb066d1dde7e640ae8b83d6c [0,0,1,0,0,0|3,0,0]=4 76 B8R0.6 C=C(C=O)OCCOC 8adae63bd2505248918f320832a88b6d [0,0,1,0,0,0|3,0,0]=4 77 B8R0.6 C=C(C=O)OCCSC bcf62c6c6fadd7ac5b12dbbe58c89f04 [0,0,1,0,0,0|3,0,0]=4 78 B8R0.6 C=C(C=O)OCOCC a43dcefe7b49a952ac6bc79bdf8dad34 [0,0,1,0,0,0|3,0,0]=4 79 B8R0.6 C=CC(=O)NCCCC 4c95ec79288c2f88fcb23d3a93f15b5c [0,0,1,0,0,0|2,0,0]=3 80 B8R0.6 C=CC(=O)NCCCCl b3fefab619db0213f8f1d61d24e52747 [0,0,1,0,0,0|3,0,0]=4 81 B8R0.6 C=CC(=O)NCCCO 971fc82f543bd7f497b8eaa8021aa4fb [0,0,1,0,0,0|3,0,0]=4 82 B8R0.6 C=CC(=O)NCCOC b4d5b95024e0e2b99e47a72a56678c9c [0,0,1,0,0,0|3,0,0]=4 83 B8R0.6 C=CC(=O)NCCSC a0da03e1803175b8dbc6aea3d0fc86fe [0,0,1,0,0,0|3,0,0]=4 84 B8R0.6 C=CC(=O)NCOCC a3acdb74bd061db7f0f50fdf176f3404 [0,0,1,0,0,0|3,0,0]=4 85 B8R0.6 C=CC(C)COCC=O 6e7f92fb51e32c59e36957f0b0308468 [0,0,1,0,0,0|2,0,0]=3 86 B8R0.6 C=CC(C)NCCC=O 34ccac889a8fddd78b8149315d5fbb67 [0,0,1,0,0,0|2,0,0]=3 87 B8R0.6 C=CC(C)OCCC=O c2fb39e17e89251aad102f8067a79d7c [0,0,1,0,0,0|2,0,0]=3 88 B8R0.6 C=CC(O)CNCC=O eea2ac5deb572c6334fda4b1caa7fa47 [0,0,1,0,0,0|3,0,0]=4 89 B8R0.6 C=CCCCN(C)C=O d5e163454d96a5cac685f2316e8ed7d5 [0,0,1,0,0,0|2,0,0]=3 90 B8R0.6 C=CCCNC(=O)C=O 23097845b717dd837d809bf208462661 [0,0,1,0,0,0|1,0,2]=4 91 B8R0.6 C=CCCNC(C)C=C 179131ef32d265cc53bf24485b5dc8f2 [0,0,1,0,0,0|3,0,0]=4 92 B8R0.6 C=CCCNC(C)C=O 7dacb78bf89ffaf9ebc02f1a6b584ebc [0,0,1,0,0,0|2,0,0]=3 93 B8R0.6 C=CCCN[C@H](C)C=O dfd9cd749dbab5a4cf001a3d7fe8d25c [0,0,1,0,0,0|2,0,0]=3 94 B8R0.6 C=CCCOC(C)C=C 91a0dff969d2c8970d5b63def8a13bb6 [0,0,1,0,0,0|3,0,0]=4 95 B8R0.6 C=CCCOC(C)C=O d89bf43d83f4e504ad136803d884ddc7 [0,0,1,0,0,0|2,0,0]=3 96 B8R0.6 C=CCCO[C@@H](C)C=C 56271c33fd2bf9c171b07a61fece43cc [0,0,1,0,0,0|3,0,0]=4 97 B8R0.6 C=CCCO[C@H](C)C=O 37010ca691c058fe96201b55449e1382 [0,0,1,0,0,0|2,0,0]=3 98 B8R0.6 C=CCOCC(C)C=C 5db5d2f554c677cc7c48ba3eef3d0aaa [0,0,1,0,0,0|3,0,0]=4 99 B8R0.6 C=C[C@H](C)OCCC=O d2528d5f8182afb1ad2ed844bb3b4d34 [0,0,1,0,0,0|2,0,0]=3 100 B8R0.6 CC#CCNC(=O)C=O 18043b6764c6c40cc4161ee1254a0704 [0,0,1,0,0,0|1,0,2]=4 101 B8R0.6 CC(=CI)COCC=O 8c68d906ad094a22395e991c01c39108 [0,0,1,0,0,0|2,0,1]=4 102 B8R0.6 CC(C#N)CNCC=O 07dd87324302dc639b7e40a71a6d2b89 [0,0,1,0,0,0|2,0,1]=4 103 B8R0.6 CC(C#N)COCC=O bdc1cb68eac2034044d1af91bed9168f [0,0,1,0,0,0|2,0,1]=4 104 B8R0.6 CC(C#N)NCCC=O 17f5eafdd4ffc04728989125a0e2f64a [0,0,1,0,0,0|2,0,1]=4 105 B8R0.6 CC(C#N)OCCC=O 99235743f38a0ed59261f8b08a8ebe83 [0,0,1,0,0,0|2,0,1]=4 106 B8R0.6 CC(C=O)NCCC#N 62c8c25c0f52310b2f0562a74f5a7c89 [0,0,1,0,0,0|2,0,1]=4 107 B8R0.6 CC(C=O)NCCCCl 0d8db3a83469f62234c1856a431acaf4 [0,0,1,0,0,0|2,0,1]=4 108 B8R0.6 CC(C=O)NCCCO f3e3ec90d7bece69f286a3910d2673a3 [0,0,1,0,0,0|1,0,2]=4 109 B8R0.6 CC(C=O)NCCON 74e37fbd94732254048517739053fcdc [0,0,1,0,0,0|3,0,0]=4 110 B8R0.6 CC(C=O)OC/C=C/Cl 56d591fa2f43f9557b51c1b3e8e078de [0,0,1,0,0,0|2,0,1]=4 111 B8R0.6 CC(C=O)OC/C=C\Cl b9ccdab87911bd60bb11df462d8fbb33 [0,0,1,0,0,0|2,0,1]=4 112 B8R0.6 CC(C=O)OCC=CCl 6d415b733bc2a4b1c6963a4406c5905c [0,0,1,0,0,0|2,0,1]=4 113 B8R0.6 CC(C=O)OCCC#N 7afeaf47c6151f74950b75e9bb192784 [0,0,1,0,0,0|2,0,1]=4 114 B8R0.6 CC(C=O)OCCC=O 33ed4daad58f2a66394ebc2ecb1ab8c7 [0,0,1,0,0,0|1,0,0]=2 115 B8R0.6 CC(C=O)OCCCF 408a8a894fa836110edbe4772bda1c05 [0,0,1,0,0,0|2,0,1]=4 116 B8R0.6 CC(C=O)OCCCS 1b21635ff592fc3c755d4caa250cdcb4 [0,0,1,0,0,0|1,1,1]=4 117 B8R0.6 CC(CF)OCCC=O b17ff84b04efc05e93964ee25e1ae59e [0,0,1,0,0,0|2,0,1]=4 118 B8R0.6 CC(CO)CCNC=O 39cb296f33f08cf60badb1105cd0e264 [0,0,1,0,0,0|1,0,2]=4 119 B8R0.6 CC(CO)CNCC=O 18b721b702015f9166f9e0a533c4ee44 [0,0,1,0,0,0|1,0,2]=4 120 B8R0.6 CC(CO)NCCC=O 2a49eedaae162f27c224c004e49e642c [0,0,1,0,0,0|1,0,2]=4 121 B8R0.6 CC(CS)OCCC=O b15e712b3203e46c10248532ab426545 [0,0,1,0,0,0|1,1,1]=4 122 B8R0.6 CC=CCNC(=O)C=O 2619bd06651b9bd7fad594d339b07422 [0,0,1,0,0,0|1,0,2]=4 123 B8R0.6 CC=CCNC(C)C=O 91835a46141d208cf4a38dbda5acfa3b [0,0,1,0,0,0|2,0,1]=4 124 B8R0.6 CC=CCN[C@H](C)C=O 3de25320dcc5b60b7ab82c87a4cf69d7 [0,0,1,0,0,0|2,0,1]=4 125 B8R0.6 CC=CCOC(C)C=O 3d8a3f728c7148d7fc326eca893206e0 [0,0,1,0,0,0|2,0,1]=4 126 B8R0.6 CC=CCO[C@H](C)C=O a976498a0880bb231380bbb58cfae4a2 [0,0,1,0,0,0|2,0,1]=4 127 B8R0.6 CCC(C)CCNC=O 558581aaa032d77ec9625244f37a5ff2 [0,0,1,0,0,0|2,0,1]=4 128 B8R0.6 CCC(C)CNCC=O d00b0f81a0565e49d0bc6374b24732a9 [0,0,1,0,0,0|2,0,1]=4 129 B8R0.6 CCC(C)COCC=O aceccf78c40e809dde74393b828702d0 [0,0,1,0,0,0|2,0,1]=4 130 B8R0.6 CCC(C)NCCC=O 315da1f228cd97e2635c09e3abdec4cc [0,0,1,0,0,0|2,0,1]=4 131 B8R0.6 CCC(C)OCCC=O f072f162ee9d24e1b36d781e9499869c [0,0,1,0,0,0|2,0,1]=4 132 B8R0.6 CCCCCN(C)C=O 7b286f721a9c6a91b513309dd89d81c0 [0,0,1,0,0,0|2,0,0]=3 133 B8R0.6 CCCCNC(=O)C=O f208026ec74ccdc3b90201942951f82d [0,0,1,0,0,0|1,0,0]=2 134 B8R0.6 CCCCNC(=O)CC 285e0c69f0d3b13983c95eed26c8d721 [0,0,1,0,0,0|2,0,1]=4 135 B8R0.6 CCCCNC(=O)CF ccc4967a8e0a27400c7d0139924f7409 [0,0,1,0,0,0|2,0,1]=4 136 B8R0.6 CCCCNC(=O)CO a7ebdf854bf2900347fbb690e8e35978 [0,0,1,0,0,0|1,0,2]=4 137 B8R0.6 CCCCNC(=O)CS c89622d02eae8eb9fb1a47fc8bb6fb10 [0,0,1,0,0,0|1,1,1]=4 138 B8R0.6 CCCCNC(C)C=O c990dbf02cb6f8344eb0c4b5b1c5bf1a [0,0,1,0,0,0|2,0,1]=4 139 B8R0.6 CCCCN[C@H](C)C=O a8c57992d16bbaafdc8ecce6752aa20e [0,0,1,0,0,0|2,0,1]=4 140 B8R0.6 CCCCOC(C)C=O 3da272a8eb2eb108a59ce2b6af2c590a [0,0,1,0,0,0|2,0,1]=4 141 B8R0.6 CCCCO[C@H](C)C=O e407b3f8d89671debf616b7fa7dc0ddb [0,0,1,0,0,0|2,0,1]=4 142 B8R0.6 CCCNC/C(=C/Cl)/Cl f1f7c339e4b876083db2ade75f21e5c2 [0,0,1,0,0,0|3,0,0]=4 143 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [0,0,1,0,0,0|2,0,1]=4 144 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [0,0,1,0,0,0|1,0,2]=4 145 B8R0.6 CCCNCC(=O)NC eb0d012f1c9ad7dec4f4287f037196b3 [0,0,1,0,0,0|3,0,0]=4 146 B8R0.6 CCCNCC(=O)NO ef6f70702891ae45e4d4bb0573b2f089 [0,0,1,0,0,0|2,0,1]=4 147 B8R0.6 CCCNCC(=O)OC 3b0745436e6aac5047a752faa3629f9d [0,0,1,0,0,0|3,0,0]=4 148 B8R0.6 CCCOC/C(=C/Cl)/Cl a465139a0b7ab6d0987e779c3247a97c [0,0,1,0,0,0|3,0,0]=4 149 B8R0.6 CCCOC/C(=C/I)/C dc8f9e85d6578ff08977a63eedf944cc [0,0,1,0,0,0|3,0,0]=4 150 B8R0.6 CCCOCC(=CI)C b3b55d96dd2a298243d83d73d18b42c8 [0,0,1,0,0,0|3,0,0]=4 151 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [0,0,1,0,0,0|2,0,1]=4 152 B8R0.6 CCCOCC(=O)NC 58f4813a2cc9a1be45793f06ebe468ea [0,0,1,0,0,0|3,0,0]=4 153 B8R0.6 CCCOCC(=O)OC c6e77fb768013ea608698b73991c1be0 [0,0,1,0,0,0|3,0,0]=4 154 B8R0.6 CCN(C)CCCC=O 3dbfe5dc5050d94978ae64e6b9604998 [0,0,1,0,0,0|2,0,1]=4 155 B8R0.6 CCNCCC(=O)NC 1e9b17ee02ba0e5b6aaaa347b3dcbe57 [0,0,1,0,0,0|3,0,0]=4 156 B8R0.6 CCNCCC(=O)NO 160d8ac572661099c06b72037ca2e0ea [0,0,1,0,0,0|2,0,1]=4 157 B8R0.6 CCNCCC(=O)OC bbd99f235af5ec44deb263c1fbced8c5 [0,0,1,0,0,0|3,0,0]=4 158 B8R0.6 CCOCCC(=O)NC 04f56cfd8d6885a7e2cb20782e900533 [0,0,1,0,0,0|3,0,0]=4 159 B8R0.6 CCOCCC(=O)OC 6c8ac8346f4b448f7b384f7ba30dc419 [0,0,1,0,0,0|3,0,0]=4 160 B8R0.6 CCOCCN(C)C=O 150e28d8c1b8a1d219f5e81a871d89a8 [0,0,1,0,0,0|3,0,0]=4 161 B8R0.6 CC[C@@H](C)COCC=O c20d93b7abbfab6c6470d540cd7a9908 [0,0,1,0,0,0|2,0,1]=4 162 B8R0.6 CC[C@@H](C)NCCC=O 7e1102ccaaec525d37867fc7a78c5909 [0,0,1,0,0,0|2,0,1]=4 163 B8R0.6 CC[C@@H](C)OCCC=O 368bcae871eba79a6fc9cfc4628ca9f3 [0,0,1,0,0,0|2,0,1]=4 164 B8R0.6 CC[C@H](C)CNCC=O 2b0760fdc9935c799222d1a5925541c3 [0,0,1,0,0,0|2,0,1]=4 165 B8R0.6 CC[C@H](C)COCC=O 96abd8316d02f524642d5d119877059b [0,0,1,0,0,0|2,0,1]=4 166 B8R0.6 CC[C@H](C)NCCC=O a962ffc26cc849df8f10ed5a3a3f3407 [0,0,1,0,0,0|2,0,1]=4 167 B8R0.6 CC[C@H](C)OCCC=O 663f558856e5f356903f7f6932db0707 [0,0,1,0,0,0|2,0,1]=4 168 B8R0.6 CN(C=O)CCCCO 7f619f7f07602d0a1e936e8e17f35450 [0,0,1,0,0,0|1,0,2]=4 169 B8R0.6 COC(C)COCC=O d60b36a618df9b4241244f9566ecdc5f [0,0,1,0,0,0|3,0,0]=4 170 B8R0.6 COCCCN(C)C=O 2dd2589e4563c98a7952d017ac8fb720 [0,0,1,0,0,0|3,0,0]=4 171 B8R0.6 COCCNC(=O)C=O 479a8f4f41f775ca2b6ce8e0cf56b6b2 [0,0,1,0,0,0|2,0,0]=3 172 B8R0.6 COCCNC(C)C=O b04cbb0a4cdf90a8659326a2cf39eb2e [0,0,1,0,0,0|3,0,0]=4 173 B8R0.6 COCCN[C@H](C)C=O 07f0113f3333cc700db2bdba012dc811 [0,0,1,0,0,0|3,0,0]=4 174 B8R0.6 COCCOC(C)C=O 2a67c0ff4cec0a7502a789fa42942c5d [0,0,1,0,0,0|3,0,0]=4 175 B8R0.6 COCCO[C@H](C)C=O 0298f0978f907e5e704651f508aa22b0 [0,0,1,0,0,0|3,0,0]=4 176 B8R0.6 CO[C@@H](C)CNCC=O 2b4a7e30da32bc7234bd11589f11e153 [0,0,1,0,0,0|3,0,0]=4 177 B8R0.6 CO[C@@H](C)COCC=O 07ee3a6b4ceb80665f98c8f198456fc5 [0,0,1,0,0,0|3,0,0]=4 178 B8R0.6 CO[C@H](C)CNCC=O 7ca0dc6a01650113664fa48ed0e0ea51 [0,0,1,0,0,0|3,0,0]=4 179 B8R0.6 CO[C@H](C)COCC=O 8da8ed3e6726a83c5f05e475965abd23 [0,0,1,0,0,0|3,0,0]=4 180 B8R0.6 CSCCNC(=O)C=O 7c8e4143d4355f24a51fc16bfc32d9a1 [0,0,1,0,0,0|2,0,0]=3 181 B8R0.6 CSCCNC(C)C=O 286c4e550db8cb5119661e7962d8357e [0,0,1,0,0,0|3,0,0]=4 182 B8R0.6 CSCCN[C@H](C)C=O 768bae1d4934c91a34c8e3922ada33b7 [0,0,1,0,0,0|3,0,0]=4 183 B8R0.6 CSCCOC(C)C=O 8eef5310c6a16cef75ae44a0d99083e0 [0,0,1,0,0,0|3,0,0]=4 184 B8R0.6 CSCCO[C@H](C)C=O 9648e4c84642a1c7a6b140c2bb515679 [0,0,1,0,0,0|3,0,0]=4 185 B8R0.6 C[C@@H](CO)CCNC=O 3feffe28caaaf0dbda7fb0990299be3b [0,0,1,0,0,0|1,0,2]=4 186 B8R0.6 C[C@@H](CO)NCCC=O 608fd81196e1155374938b5ce9be9d11 [0,0,1,0,0,0|1,0,2]=4 187 B8R0.6 C[C@H](C=O)NCCC#N efcafa617aed5d65bd0b18abc94bad42 [0,0,1,0,0,0|2,0,1]=4 188 B8R0.6 C[C@H](C=O)NCCCCl c9aa0b7b106e210f3da0b2a7b7b494b0 [0,0,1,0,0,0|2,0,1]=4 189 B8R0.6 C[C@H](C=O)NCCCO 8f472ce1305fcb3f83b357c37349df87 [0,0,1,0,0,0|1,0,2]=4 190 B8R0.6 C[C@H](C=O)NCCON 5f36436e9f2e76846c3319840ed43a3d [0,0,1,0,0,0|3,0,0]=4 191 B8R0.6 C[C@H](C=O)OC/C=C/Cl 1eb56d6e417cd8a1beacdb742f1b9656 [0,0,1,0,0,0|2,0,1]=4 192 B8R0.6 C[C@H](C=O)OCC=CCl 5640ca9961a6d89f96d4fba89fa37a7a [0,0,1,0,0,0|2,0,1]=4 193 B8R0.6 C[C@H](C=O)OCCC#N 4acfd2696f9ab4623946b701bc5066cf [0,0,1,0,0,0|2,0,1]=4 194 B8R0.6 C[C@H](C=O)OCCC=O 87e4ed47a9b86d975af2139f6b104017 [0,0,1,0,0,0|1,0,0]=2 195 B8R0.6 C[C@H](C=O)OCCCF bdc4dc4cbe2cde044d3c10a313632ac7 [0,0,1,0,0,0|2,0,1]=4 196 B8R0.6 C[C@H](C=O)OCCCS 9971ffaf5c0c56ccc1660bb6715f0a74 [0,0,1,0,0,0|1,1,1]=4 197 B8R0.6 C[C@H](CO)CNCC=O ce3576180443b7d133df7f39370d8756 [0,0,1,0,0,0|1,0,2]=4 198 B8R0.6 C[C@H](CO)NCCC=O c6b2b9a5a05147f280b25371b2bca5f0 [0,0,1,0,0,0|1,0,2]=4 199 B8R0.6 C[C@H](CS)OCCC=O 59b0d090dd51e3a701804a923bcfc9bf [0,0,1,0,0,0|1,1,1]=4 200 B8R0.6 N#CCCNC(=O)C=O 92b2be929382eebf0729bd6959b1bae3 [0,0,1,0,0,0|2,0,1]=4 201 B8R0.6 NOCCNC(=O)C=O f5610ceeebf529895b18c2be26cd2513 [0,0,1,0,0,0|3,0,0]=4 202 B8R0.6 O=CC(=O)NCCCCl 64f1b2357217366e1bf6fcb0b40fa18e [0,0,1,0,0,0|2,0,0]=3 203 B8R0.6 O=CC(=O)NCCCO c7baf2e22cfdb49043ef0f7982d363e4 [0,0,1,0,0,0|2,0,0]=3 204 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [1,0,1,0,0,0|2,0,0]=4 205 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [1,0,1,0,0,0|2,0,0]=4 206 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [1,0,1,0,0,0|2,0,0]=4 207 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [1,0,1,0,0,0|1,0,0]=3 208 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [1,0,1,0,0,0|1,0,0]=3 209 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [1,0,1,0,0,0|1,0,0]=3 210 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [1,0,1,0,0,0|1,0,1]=4 211 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [1,0,1,0,0,0|2,0,0]=4 212 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [1,0,1,0,0,0|1,0,1]=4 213 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [1,0,1,0,0,0|2,0,0]=4 214 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [1,0,1,0,0,0|1,0,1]=4 215 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [1,0,1,0,0,0|2,0,0]=4 216 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [1,0,1,0,0,0|1,0,1]=4 217 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [1,0,1,0,0,0|1,0,1]=4 218 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [1,0,1,0,0,0|2,0,0]=4 219 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [1,0,1,0,0,0|1,0,1]=4 220 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [1,0,1,0,0,0|2,0,0]=4 221 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [1,0,1,0,0,0|1,0,1]=4 222 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [1,0,1,0,0,0|2,0,0]=4 223 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [1,0,1,0,0,0|1,0,1]=4 224 B7R0.10 C=CC(=O)N(C)CC 5cdce1a1cd893d8ab1284f8177670f55 [1,0,1,0,0,0|1,0,1]=4 225 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [1,0,1,0,0,0|1,0,1]=4 226 B7R0.10 CCC(C)N(C)C=O aaa2a77e867aed83923621e3629d674e [1,0,1,0,0,0|2,0,0]=4 227 B7R0.10 CCN(C)C(=O)C=O db5732fec82020b1e06387d47e0f63dc [1,0,1,0,0,0|1,0,0]=3 228 B7R0.16 CC(=O)N(C)C(C)C 68e786e7c5c4f60e8b7c36108316ab9e [1,0,1,0,0,0|2,0,0]=4 229 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [1,0,1,0,0,0|2,0,0]=4 230 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [1,0,1,0,0,0|2,0,0]=4 231 B7R0.3 C=CC(C)NCC=O 39b14e3f69e0eb05b9593b7c40c09aad [1,0,1,0,0,0|2,0,0]=4 232 B7R0.3 C=CC(C)OCC=O cb8ab1e26c946580cb2eacb238eceadb [1,0,1,0,0,0|2,0,0]=4 233 B7R0.3 C=CCCN(C)C=O adf6557a42cae72b9ac47eaa39c6c3f7 [1,0,1,0,0,0|1,0,1]=4 234 B7R0.3 C=CCOC(C)C=O 6657ba082e9c102df1bd1e051b83669e [1,0,1,0,0,0|1,0,1]=4 235 B7R0.3 C=C[C@H](C)OCC=O 1b1ed3039c6605fda21f2d5059ac888e [1,0,1,0,0,0|2,0,0]=4 236 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [1,0,1,0,0,0|2,0,0]=4 237 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [1,0,1,0,0,0|2,0,0]=4 238 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [1,0,1,0,0,0|2,0,0]=4 239 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [1,0,1,0,0,0|1,0,1]=4 240 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [1,0,1,0,0,0|1,1,0]=4 241 B7R0.3 CC(C=O)OCC=O 216dc0b62aef64aacebb34095641e5d6 [1,0,1,0,0,0|1,0,0]=3 242 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [1,0,1,0,0,0|2,0,0]=4 243 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [1,0,1,0,0,0|1,1,0]=4 244 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [1,0,1,0,0,0|2,0,0]=4 245 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [1,0,1,0,0,0|2,0,0]=4 246 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [1,0,1,0,0,0|2,0,0]=4 247 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [1,0,1,0,0,0|2,0,0]=4 248 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [1,0,1,0,0,0|2,0,0]=4 249 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [1,0,1,0,0,0|1,0,1]=4 250 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [1,0,1,0,0,0|1,0,0]=3 251 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [1,0,1,0,0,0|1,0,0]=3 252 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [1,0,1,0,0,0|2,0,0]=4 253 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [1,0,1,0,0,0|2,0,0]=4 254 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [1,0,1,0,0,0|2,0,0]=4 255 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [1,0,1,0,0,0|1,0,1]=4 256 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [1,0,1,0,0,0|1,0,1]=4 257 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [1,0,1,0,0,0|1,0,1]=4 258 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [1,0,1,0,0,0|1,0,1]=4 259 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [1,0,1,0,0,0|1,0,1]=4 260 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [1,0,1,0,0,0|1,0,1]=4 261 B7R0.3 C[C@H](C=O)NCCBr 1c88aafc7cf0e6ecf5a695c971d96c26 [1,0,1,0,0,0|2,0,0]=4 262 B7R0.3 C[C@H](C=O)NCCF 312336c63755d0cb499e935eb3842567 [1,0,1,0,0,0|2,0,0]=4 263 B7R0.3 C[C@H](C=O)NCCI 365ac184287fbb3cff12bb64cb86f31d [1,0,1,0,0,0|2,0,0]=4 264 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [1,0,1,0,0,0|1,0,1]=4 265 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [1,0,1,0,0,0|1,1,0]=4 266 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [1,0,1,0,0,0|2,0,0]=4 267 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [1,0,1,0,0,0|1,1,0]=4 268 B7R0.3 O=CC(=O)NCCBr 2e764955e5b027229dc47aa131dbf662 [1,0,1,0,0,0|2,0,0]=4 269 B7R0.3 O=CC(=O)NCCF fc9621fe97219629ab963b2546f4b25a [1,0,1,0,0,0|2,0,0]=4 270 B7R0.3 O=CC(=O)NCCI e0a4f5a8499d8d769053243c1c1c0e74 [1,0,1,0,0,0|2,0,0]=4 271 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [1,0,1,0,0,0|2,0,0]=4 272 B7R0.3 O=CC(=O)NCCS 8f21f47feaeb7f9710321d6778c69f89 [1,0,1,0,0,0|2,0,0]=4 273 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [1,0,1,0,0,0|2,0,0]=4 274 B7R0.7 CC(CCO)NC=O 892cc7a0d08c79535b8216399ec9a52d [1,0,1,0,0,0|2,0,0]=4 275 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [1,0,1,0,0,0|2,0,0]=4 276 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [1,0,1,0,0,0|1,1,0]=4 277 B7R0.7 CCCC(C)NC=O 3b3fdc3aff176c80def2c27de1055661 [1,0,1,0,0,0|1,0,0]=3 278 B7R0.7 CCCN(C)CC=O 1c62a002dac50aaed88f0fc6ab9f5e8c [1,0,1,0,0,0|1,0,1]=4 279 B7R0.7 CCC[C@H](C)NC=O d7593154c1a9fc5db070af269735e419 [1,0,1,0,0,0|1,0,0]=3 280 B7R0.7 COCC(C)NC=O 45a0b649e4600219d555cc1f9498bdc8 [1,0,1,0,0,0|2,0,0]=4 281 B7R0.7 COC[C@@H](C)NC=O d1500602ed7da53624fa7ed4337a50c3 [1,0,1,0,0,0|2,0,0]=4 282 B7R0.7 COC[C@H](C)NC=O 9ace0af38b8cac4dc5e5d6d9564d36a8 [1,0,1,0,0,0|2,0,0]=4 283 B7R0.7 C[C@@H](CCO)NC=O eb95ec52954fcdf5dbae515a1b580040 [1,0,1,0,0,0|2,0,0]=4 284 B7R0.7 C[C@H](CCO)NC=O b74e456417922c93cc7901b1f7160ec1 [1,0,1,0,0,0|2,0,0]=4 285 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [1,0,1,0,0,0|2,0,0]=4 286 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [1,0,1,0,0,0|2,0,0]=4 287 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [1,0,1,0,0,0|2,0,0]=4 288 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [1,0,1,0,0,0|2,0,0]=4 289 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [1,0,1,0,0,0|2,0,0]=4 290 B7R0.1 C=CCCCNC=O 1cec4421bae4af7df60106eb6ddcfad0 [1,0,1,0,0,0|2,0,0]=4 291 B7R0.1 C=CCCNCC=O c2b6ae4db4c393ea2eb8af295ed3c4e1 [1,0,1,0,0,0|2,0,0]=4 292 B7R0.1 C=CCCOCC=O 6dd80ffa9b8242d7dabff7bfee08f19c [1,0,1,0,0,0|2,0,0]=4 293 B7R0.1 C=CCOCCC=O cc02b0802c9074f33779663465b59ae3 [1,0,1,0,0,0|2,0,0]=4 294 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [1,0,1,0,0,0|2,0,0]=4 295 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [1,0,1,0,0,0|2,0,0]=4 296 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [1,0,1,0,0,0|1,0,0]=3 297 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [1,0,1,0,0,0|1,0,1]=4 298 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [1,0,1,0,0,0|1,0,1]=4 299 B7R0.1 CCCNC/C=C/Cl 068dc98fe609c9c151e063bc566fe8b0 [1,0,1,0,0,0|2,0,0]=4 300 B7R0.1 CCCNC/C=C\Cl 1de2b8db3d2cb8ee291f72277aea6119 [1,0,1,0,0,0|2,0,0]=4 301 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [1,0,1,0,0,0|1,0,1]=4 302 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [1,0,1,0,0,0|1,0,1]=4 303 B7R0.1 CCCOC/C=C/Cl ac6f5b75f59032db0e82f6993bf6a55c [1,0,1,0,0,0|2,0,0]=4 304 B7R0.1 CCCOC/C=C\Cl a8c372c85087aeb02f1742f790100e7d [1,0,1,0,0,0|2,0,0]=4 305 B7R0.1 CCCOCC=CCl 112f7fa1593ff5cb62f7ea8ebc707a53 [1,0,1,0,0,0|2,0,0]=4 306 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [1,0,1,0,0,0|1,0,1]=4 307 B7R0.1 CCOC/C=C/C=O 3d6951e444130c3127ae3a39ab2f79f2 [1,0,1,0,0,0|1,0,1]=4 308 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [1,0,1,0,0,0|1,0,1]=4 309 B7R0.1 CCOCCNC=O 5ff8b0f631a008d336c5b5d059941e52 [1,0,1,0,0,0|2,0,0]=4 310 B7R0.1 CCOCCOC=O 13c874dc60dfb3d1f6f6a29b0d060101 [1,0,1,0,0,0|2,0,0]=4 311 B7R0.1 CCSCCNC=O 385ec0536f2dafb781a8f3aea079d78c [1,0,1,0,0,0|2,0,0]=4 312 B7R0.1 COCCCNC=O 8b809f06a028927c1bb77d4ce795b6c6 [1,0,1,0,0,0|2,0,0]=4 313 B7R0.1 CSCCCNC=O 7314f13ceee46dd5e864578ae6458630 [1,0,1,0,0,0|2,0,0]=4 314 B7R0.1 O=CCCOCC=O 8abc222377ef79acc62e6e971cef3b5b [1,0,1,0,0,0|1,0,0]=3 315 B7R0.1 O=CNCCCCCl f92f31577db7c76752d74048c9613e26 [1,0,1,0,0,0|2,0,0]=4 316 B7R0.1 O=CNCCCCO 2b728fba12236cded175996b460e95da [1,0,1,0,0,0|2,0,0]=4 317 B7R0.1 O=CNCCCCS 8f7648f8a23508fcd6d57892fa9ccef7 [1,0,1,0,0,0|2,0,0]=4 318 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [1,0,1,0,0,0|2,0,0]=4 319 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [1,0,1,0,0,0|2,0,0]=4 320 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [1,0,1,0,0,0|2,0,0]=4 321 B7R0.4 C=C(C)CCNC=O 4d615a3112b965fa05f258614a56fe4d [1,0,1,0,0,0|1,0,1]=4 322 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [1,0,1,0,0,0|2,0,0]=4 323 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [1,0,1,0,0,0|2,0,0]=4 324 B7R0.4 C=C(C)CNCC=O 9d28817af531c4aeff91a0e804528258 [1,0,1,0,0,0|1,0,1]=4 325 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [1,0,1,0,0,0|2,0,0]=4 326 B7R0.4 C=C(C)COCC=O ac319c323600422cf8ad488ebe56732b [1,0,1,0,0,0|1,0,1]=4 327 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [1,0,1,0,0,0|2,0,0]=4 328 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [1,0,1,0,0,0|2,0,0]=4 329 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [1,0,1,0,0,0|2,0,0]=4 330 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [1,0,1,0,0,0|2,0,0]=4 331 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [1,0,1,0,0,0|2,0,0]=4 332 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [1,0,1,0,0,0|2,0,0]=4 333 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [1,0,1,0,0,0|1,0,1]=4 334 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [1,0,1,0,0,0|1,0,1]=4 335 B7R0.4 CC(C)CCNC=O 8fb8d2f77b8e7548ff10a901f65a6a2b [1,0,1,0,0,0|1,0,1]=4 336 B7R0.4 CC(C)CNCC=O e2e655e4d2528bc07c0e7e73f520729a [1,0,1,0,0,0|1,0,1]=4 337 B7R0.4 CC(C)COCC=O bd41a1e672abb592bd026a120b038c2b [1,0,1,0,0,0|1,0,1]=4 338 B7R0.4 CC(C)OCCC=O ccbf2d62dbd49bddcfe1567d50bb806b [1,0,1,0,0,0|1,0,1]=4 339 B7R0.4 CC(F)COCC=O b46e29d4101a17f157843c4bdc730f6e [1,0,1,0,0,0|2,0,0]=4 340 B7R0.4 CC(O)CCNC=O 7d16a38d54e5204f080aee8a4fea20ce [1,0,1,0,0,0|1,0,1]=4 341 B7R0.4 CC(O)CNCC=O 944b3483ce03d29e552c3844291f44b6 [1,0,1,0,0,0|1,0,1]=4 342 B7R0.4 CC(S)COCC=O 15ebcb7a251dae8d81b8432f521474d6 [1,0,1,0,0,0|1,1,0]=4 343 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [1,0,1,0,0,0|1,0,1]=4 344 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [1,0,1,0,0,0|1,0,1]=4 345 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [1,0,1,0,0,0|2,0,0]=4 346 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [1,0,1,0,0,0|1,0,1]=4 347 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [1,0,1,0,0,0|1,0,1]=4 348 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [1,0,1,0,0,0|2,0,0]=4 349 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [1,0,1,0,0,0|1,0,1]=4 350 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [1,0,1,0,0,0|2,0,0]=4 351 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [1,0,1,0,0,0|1,0,1]=4 352 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [1,0,1,0,0,0|1,0,1]=4 353 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [1,0,1,0,0,0|2,0,0]=4 354 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [1,0,1,0,0,0|1,0,1]=4 355 B7R0.4 CS(=O)CCNC=O 16cc205a7133a7d223ff6dc33bd772e5 [1,0,1,0,0,0|2,0,0]=4 356 B7R0.4 C[C@@H](F)COCC=O dfd322669411a585629980eb6b5be0dd [1,0,1,0,0,0|2,0,0]=4 357 B7R0.4 C[C@@H](O)CCNC=O 063b940170a2cb4a98efeca14a33a52e [1,0,1,0,0,0|1,0,1]=4 358 B7R0.4 C[C@@H](O)CNCC=O ae52f375140c99168e4849031ee267c7 [1,0,1,0,0,0|1,0,1]=4 359 B7R0.4 C[C@H](F)COCC=O 41a7eddb5d50f5c0a8a1cffec2a2d618 [1,0,1,0,0,0|2,0,0]=4 360 B7R0.4 C[C@H](O)CCNC=O cef20fefdcc1f37d90fc224277e1f868 [1,0,1,0,0,0|1,0,1]=4 361 B7R0.4 C[C@H](O)CNCC=O 58f727508ba2f4be3dc454ceda8497a8 [1,0,1,0,0,0|1,0,1]=4 362 B9R0.6 C#CCN(C)C(=O)C(=O)C 207cf8e1f7c44548ec3840705f8b593e [0,1,1,0,0,0|1,0,1]=4 363 B9R0.6 C=C(C)C(=O)N(C)CCC f91a452181c0eaeb8fa3f57abfd75228 [0,1,1,0,0,0|2,0,0]=4 364 B9R0.6 C=C(C)C(=O)N(C)CCF cee2735e0cb771a5713af8faddbd24b1 [0,1,1,0,0,0|2,0,0]=4 365 B9R0.6 C=C(C)C(=O)N(C)CCO 5f8a5bfd9fc992f4265aaaf731b3b530 [0,1,1,0,0,0|2,0,0]=4 366 B9R0.6 C=CCN(C)C(=O)C(=O)C 3635e54558b93a08d09bd302e4783bf4 [0,1,1,0,0,0|1,0,1]=4 367 B9R0.6 CC(=O)C(=O)C(C)NC#N 24bfe94c2bc8d63eef5537cbfe99871e [0,1,1,0,0,0|1,0,1]=4 368 B9R0.6 CC(=O)C(=O)N(C)CC#N 5a3cab25c462842f1376f3a2f18354da [0,1,1,0,0,0|1,0,1]=4 369 B9R0.6 CC(=O)C(=O)N(C)CCF c892a70dbbd89cdcb76c2c1b62b4e4bb [0,1,1,0,0,0|1,0,0]=3 370 B9R0.6 CC(=O)C(=O)N(C)CCO 8eec33b34c954245bef8c1ffac874b64 [0,1,1,0,0,0|1,0,0]=3 371 B9R0.6 CC(=O)N(C)C(C)CCO 4f10b5938b38e7850ab030a78481e11d [0,1,1,0,0,0|2,0,0]=4 372 B9R0.6 CC(=O)N(C)[C@@H](C)CCO 367a67f3edf3ca0be8496dbb55d3d759 [0,1,1,0,0,0|2,0,0]=4 373 B9R0.6 CC(C)C(=O)C(=O)NC#N 2bdabef8910f7b52c30008da14ab555d [0,1,1,0,0,0|1,0,1]=4 374 B9R0.6 CC(C)N(C)C(=O)CCF def377bf35704187f8f135740782fa66 [0,1,1,0,0,0|2,0,0]=4 375 B9R0.6 CC(C)N(C)C(=O)CCO eb4b9a959ea9bc4492d1d1d9953b010e [0,1,1,0,0,0|2,0,0]=4 376 B9R0.6 CCCC(=O)N(C)C(C)C ad95bb06ca801adf4bec9bbbf68ab199 [0,1,1,0,0,0|2,0,0]=4 377 B9R0.6 CCCN(C)C(=O)C(=O)C b1f86c94d2bf9784f5bc56d2f713d016 [0,1,1,0,0,0|1,0,0]=3 378 B9R0.6 CCCN(C)C(=O)C(=O)N b5ca33672af963ef01efeb0a7e1f9575 [0,1,1,0,0,0|2,0,0]=4 379 B9R0.6 CCNC(C)C(=O)N(C)C 296cbb80207ffcac45641baac50d983e [0,1,1,0,0,0|2,0,0]=4 380 B9R0.6 CCN[C@@H](C)C(=O)N(C)C a59bf0a446bc25fef7ca2374c2e73699 [0,1,1,0,0,0|2,0,0]=4 381 B9R0.6 CCOC(C)C(=O)N(C)C dee4d9612b773cf3966a29a28694a5b1 [0,1,1,0,0,0|2,0,0]=4 382 B9R0.6 CCO[C@H](C)C(=O)N(C)C 13cc5b07395d8a254ef5fa9be7bf6a14 [0,1,1,0,0,0|2,0,0]=4 383 B9R0.6 CN(CCF)C(=O)C(=O)N b0ae8985936b9b9dde80baf0ca6a1ff0 [0,1,1,0,0,0|2,0,0]=4 384 B9R0.6 CN(CCO)C(=O)C(=O)N 0403c5fbd0342906b5b79a47937592c5 [0,1,1,0,0,0|2,0,0]=4 385 B9R0.6 COCC(=O)N(C)C(C)C cfe16f8f5f6cc7a9ccd181b7a68eaa00 [0,1,1,0,0,0|2,0,0]=4 386 B9R0.6 CSCC(=O)N(C)C(C)C 88834a6fd10873df170ac1e7582e3465 [0,1,1,0,0,0|2,0,0]=4 387 B9R0.25 CCC(=O)N(C)C(C)(C)C db4831d502ada3cd02575a44895a4ec7 [0,1,1,0,0,0|2,0,0]=4 388 B9R0.27 C/C=C(/C)\C(=O)N(C)CC 9fa91b4515146cf54ea34af546995fd9 [0,1,1,0,0,0|2,0,0]=4 389 B9R0.27 C/C=C(\Br)/C(=O)N(C)CC 6a86ab85fd917d6cf53e345f01d204da [0,1,1,0,0,0|2,0,0]=4 390 B9R0.27 C/C=C(\C)/C(=O)N(C)CC 11c603d098729895dfc9cfd34404e259 [0,1,1,0,0,0|2,0,0]=4 391 B9R0.27 C/C=C(\Cl)/C(=O)N(C)CC ef52ad2e180c7ee6c15cd807b6f8c07a [0,1,1,0,0,0|2,0,0]=4 392 B9R0.27 C/C=C(\O)/C(=O)N(C)CC 98683799e8eae7b0ec85e8b0bcc5e212 [0,1,1,0,0,0|1,0,1]=4 393 B9R0.27 C=C(CC)C(=O)N(C)CC a8e60904281356ee3dd7316e1c7588a5 [0,1,1,0,0,0|2,0,0]=4 394 B9R0.27 C=C(CO)C(=O)N(C)CC 5e33ec7db73e1e518b6b08db32e20d63 [0,1,1,0,0,0|2,0,0]=4 395 B9R0.27 C=CC(=O)C(=O)N(C)CC d4e4cccc5501d2700ff4e5b5cdff130a [0,1,1,0,0,0|1,0,1]=4 396 B9R0.27 CC=C(C)C(=O)N(C)CC b9dda0c6e4d62f196d8479f711dec547 [0,1,1,0,0,0|2,0,0]=4 397 B9R0.27 CCC(=O)C(=O)N(C)CC 163ee20f26d0da3f1298e14f27aacbf4 [0,1,1,0,0,0|1,0,0]=3 398 B9R0.27 CCC(=O)N(C)C(C)CC bde5342d9c864dc0699d63b7cff28f18 [0,1,1,0,0,0|2,0,0]=4 399 B9R0.27 CCC(=O)N(C)C(C)CO deac93d960d380b00b0d03e2324588b4 [0,1,1,0,0,0|2,0,0]=4 400 B9R0.27 CCC(=O)N(C)[C@@H](C)CO bbcf1f8a938da4b793b6a77a33a0a25d [0,1,1,0,0,0|2,0,0]=4 401 B9R0.27 CCC(=O)N(C)[C@H](C)CO 8ec8500015333216fbc2a1b00052cdc7 [0,1,1,0,0,0|2,0,0]=4 402 B9R0.27 CCC(C)N(C)C(=O)CF e43dfa86386439596c426a66353ddcb0 [0,1,1,0,0,0|2,0,0]=4 403 B9R0.27 CCC(C)N(C)C(=O)CO ef362ee6f991bb046944a1b9fa10b4f7 [0,1,1,0,0,0|2,0,0]=4 404 B9R0.27 CCC(C)N(C)C(=O)CS 3757dadd571f58b805e75edc1a42e8db [0,1,1,0,0,0|2,0,0]=4 405 B9R0.27 CCN(C)C(=O)C(=O)CS 393884064298aa4750dcc2768bb6d0cd [0,1,1,0,0,0|1,0,0]=3 406 B9R0.27 CCN(C)C(=O)C(=O)NC 1b0579ca1003148c13deaa4534fac5a4 [0,1,1,0,0,0|1,0,0]=3 407 B9R0.27 CCN(C)C(=O)C(=O)OC 356657e2714d07f9eafe225612663087 [0,1,1,0,0,0|1,0,0]=3 408 B9R0.27 CCN(C)C(=O)C(C)OC 211dd707973b87e848baf4f2e38e7798 [0,1,1,0,0,0|2,0,0]=4 409 B9R0.27 CCN(C)C(=O)C(C)SC 10d14e4f7c5aa7b80696475b415028b6 [0,1,1,0,0,0|2,0,0]=4 410 B9R0.27 CCN(C)C(=O)[C@@H](C)OC 46cafddcb58855a963bbcd898d87a9bd [0,1,1,0,0,0|2,0,0]=4 411 B9R0.27 CCN(C)C(=O)[C@H](C)OC 17b047e52faf48ac63a731cc919ebcd5 [0,1,1,0,0,0|2,0,0]=4 412 B9R0.29 CCC(=O)N(CC)C(C)C 0ed2039b2f1d7e42a246ce98a3db647c [0,1,1,0,0,0|2,0,0]=4 413 B9R0.32 CCC(C)(C)N(C)C(=O)C f2c4ae77096d94b88ddc69431025d77b [0,1,1,0,0,0|2,0,0]=4 414 B9R0.41 CCC(CC)N(C)C(=O)C 05867eee83c6fc8b84fb88234814322e [0,1,1,0,0,0|2,0,0]=4 415 B9R0.79 C=C(C)C(=O)N(C)C(C)C f679e3d6f65ca6159355cc837ef1d7ec [0,1,1,0,0,0|2,0,0]=4 416 B9R0.79 CC(=O)C(=O)N(C)C(C)C c3e6c5d5fbc9b0d628b5fa2d3ff9665c [0,1,1,0,0,0|1,0,0]=3 417 B9R0.79 CC(=O)N(C)C(C)C(C)C 36fb0da84ce96436c1f6865fe92b6f6f [0,1,1,0,0,0|2,0,0]=4 418 B9R0.79 CC(C)N(C)C(=O)C(=O)N ed9d8ba2b6b4713da68fe65e5a84f664 [0,1,1,0,0,0|2,0,0]=4 419 B9R0.79 CC(S)C(=O)N(C)C(C)C 7f4e96f2593e7bd8e88b1243b32e7c37 [0,1,1,0,0,0|2,0,0]=4 420 B9R0.8 C#CCCN(C)C(=O)C=O df78df4b625050c7b18d14c383fa4210 [0,1,1,0,0,0|1,0,1]=4 421 B9R0.8 C#CCNC(=O)C(=O)CC 86cb4131eb139cb1e9927317d3252112 [0,1,1,0,0,0|0,0,2]=4 422 B9R0.8 C/C=C(/C)\C(=O)NCCC 76bee184509c6b407a5f278dad37cd89 [0,1,1,0,0,0|1,0,1]=4 423 B9R0.8 C/C=C(\Br)/C(=O)NCCC 6ac93f175cf18b4a0f6eef070e4cfa24 [0,1,1,0,0,0|1,0,1]=4 424 B9R0.8 C/C=C(\C)/C(=O)NCCC 8612f7fe245bdda74a48ef20b2ceffdb [0,1,1,0,0,0|1,0,1]=4 425 B9R0.8 C/C=C(\Cl)/C(=O)NCCC 6736ed1a11a628b0b687c7dc68880baf [0,1,1,0,0,0|1,0,1]=4 426 B9R0.8 C/C=C(\O)/C(=O)NCCC 23ea8aa451a9786ffb4e55e9ca0b886c [0,1,1,0,0,0|0,0,2]=4 427 B9R0.8 C=C(CC)C(=O)NCCBr f32967722aa2c8624bf6abe1938b030d [0,1,1,0,0,0|2,0,0]=4 428 B9R0.8 C=C(CC)C(=O)NCCC 198297579d2c46e6f527f9db79959810 [0,1,1,0,0,0|1,0,0]=3 429 B9R0.8 C=C(CC)C(=O)NCCF 7d0a8defb76d3ce471b9549aa071dc94 [0,1,1,0,0,0|2,0,0]=4 430 B9R0.8 C=C(CC)C(=O)NCCI ce4a346bb104410d15875747df2935cc [0,1,1,0,0,0|2,0,0]=4 431 B9R0.8 C=C(CC)C(=O)NCCO 928b82dc2c09249dc53ce85c56cac0e4 [0,1,1,0,0,0|2,0,0]=4 432 B9R0.8 C=C(CC)C(=O)NCCS aa5b7fd43f45b1e227eeee918050ad3e [0,1,1,0,0,0|2,0,0]=4 433 B9R0.8 C=C(CO)C(=O)NCCC c3504c3ea7e29f01a12531c42d19d98e [0,1,1,0,0,0|2,0,0]=4 434 B9R0.8 C=C(COCC)C(=O)OC ae9c69942d2175975ce6919e23e76991 [0,1,1,0,0,0|2,0,0]=4 435 B9R0.8 C=CC(=O)C(=O)NCCC 927918b9fb07236d08cee9294dd952b5 [0,1,1,0,0,0|0,0,2]=4 436 B9R0.8 C=CC(=O)N(C)CCCC b6746789bae1db9fe64148b7a62e68a4 [0,1,1,0,0,0|2,0,0]=4 437 B9R0.8 C=CC(=O)N(C)CCCO 34c5e819a15dd4e82be51e723b0d308e [0,1,1,0,0,0|2,0,0]=4 438 B9R0.8 C=CC(=O)N(C)CCOC c87a2a4d55ac86aa7523a60fdc086c79 [0,1,1,0,0,0|2,0,0]=4 439 B9R0.8 C=CC(=O)N(C)CCSC 678c2a94ed9ef7a615308b14c2ecd056 [0,1,1,0,0,0|2,0,0]=4 440 B9R0.8 C=CCCN(C)C(=O)C=O bebab2406dc4d68c2549dec71e705b19 [0,1,1,0,0,0|1,0,1]=4 441 B9R0.8 CC=C(C)C(=O)NCCC 9666b21f195424042b6e24bf8eb9f5b9 [0,1,1,0,0,0|1,0,1]=4 442 B9R0.8 CCC(=O)C(=O)NCC#N 68e67991b77746534799ffb04c192140 [0,1,1,0,0,0|1,0,1]=4 443 B9R0.8 CCC(=O)C(=O)NCCBr 84fc4faee770c4e2b17d9a450509f7c4 [0,1,1,0,0,0|1,0,0]=3 444 B9R0.8 CCC(=O)C(=O)NCCF 45f7aaa2290833f2ebffca2080080c8b [0,1,1,0,0,0|1,0,0]=3 445 B9R0.8 CCC(=O)C(=O)NCCI c47ec07c95fd9869aa39fe7c7de0290c [0,1,1,0,0,0|1,0,0]=3 446 B9R0.8 CCC(=O)C(=O)NCCO a7e0c4499eee6af2b5e9b45765eda93b [0,1,1,0,0,0|1,0,0]=3 447 B9R0.8 CCC(=O)C(=O)NCCS d8d72c0868c2b4d59d8957abf2f00ed5 [0,1,1,0,0,0|1,0,0]=3 448 B9R0.8 CCC(=O)N(C)CCCO abe1c532feffa5d924432cc826e9ba1a [0,1,1,0,0,0|2,0,0]=4 449 B9R0.8 CCC(=O)N(C)CCOC f7bd9d478d8c782d3736c126b1486194 [0,1,1,0,0,0|2,0,0]=4 450 B9R0.8 CCC(=O)N(C)CCSC aab6c2a6f5f967173dcbf121b5f2b04a [0,1,1,0,0,0|2,0,0]=4 451 B9R0.8 CCCCC(=O)N(C)CC 3b76ee884ca3badac26f8203708e917a [0,1,1,0,0,0|2,0,0]=4 452 B9R0.8 CCCCN(C)C(=O)C=O ed88baf3777d406fb62edc639f2ad7fc [0,1,1,0,0,0|1,0,0]=3 453 B9R0.8 CCCCN(C)C(=O)CC 0e002209ec811d39c4d1fc3cb831356f [0,1,1,0,0,0|2,0,0]=4 454 B9R0.8 CCCNC(=O)C(=O)CC 50c3528e2a3a36795036ff6fd39f19ea [0,1,1,0,0,0|0,0,0]=2 455 B9R0.8 CCCNC(=O)C(=O)CS f77a300a00a8626828cedcc47e555849 [0,1,1,0,0,0|1,0,0]=3 456 B9R0.8 CCCNC(=O)C(=O)NC e46f12d3c545490ec9dbfc1a136b4b02 [0,1,1,0,0,0|1,0,0]=3 457 B9R0.8 CCCNC(=O)C(=O)OC 4b33c548ce70d1a847225c6eb880f588 [0,1,1,0,0,0|1,0,0]=3 458 B9R0.8 CCCNC(=O)C(O)CC edd04219b33ab5e22cf9bff2adb8263b [0,1,1,0,0,0|0,0,2]=4 459 B9R0.8 CCCNC(=O)N(C)CC 8cc4e3845201ed6a5f54aeb0c58369f2 [0,1,1,0,0,0|2,0,0]=4 460 B9R0.8 CCCNC(=O)[C@@H](O)CC 6213de286f3cc084357619621a240c57 [0,1,1,0,0,0|0,0,2]=4 461 B9R0.8 CCCNC(=O)[C@@H](S)CC 307adf8ab625a0844c694fbfab2ae1cc [0,1,1,0,0,0|0,1,1]=4 462 B9R0.8 CCCNC(=O)[C@H](O)CC af51f60b56be4879c2275bcf120b5462 [0,1,1,0,0,0|0,0,2]=4 463 B9R0.8 CCCNC(C)C(=O)CC 0217f82457b5f9eb91d7c99d41f3f7e0 [0,1,1,0,0,0|1,0,1]=4 464 B9R0.8 CCCNC(C)C(=O)NC 7e671fb821570ee51777de2cb4346876 [0,1,1,0,0,0|2,0,0]=4 465 B9R0.8 CCCNC(C)C(=O)OC 31247040e57fcd82f8a5006ea35f44b3 [0,1,1,0,0,0|2,0,0]=4 466 B9R0.8 CCCN[C@@H](C)C(=O)OC 59d491ac2868b6f8a0c3d1e8728d0ebe [0,1,1,0,0,0|2,0,0]=4 467 B9R0.8 CCCN[C@H](C)C(=O)OC 341714f23671a6f279f2ba9d2fc394e9 [0,1,1,0,0,0|2,0,0]=4 468 B9R0.8 CCCOC(C)C(=O)CC 8ed9139bb3e33585a0fa3a410f80c3d4 [0,1,1,0,0,0|1,0,1]=4 469 B9R0.8 CCCOC(C)C(=O)NC 6c6db500b3d123e7885d4c8a3542da86 [0,1,1,0,0,0|2,0,0]=4 470 B9R0.8 CCCOC(C)C(=O)OC 6aeb6cf87a11cad68a57c617fd4dd6b3 [0,1,1,0,0,0|2,0,0]=4 471 B9R0.8 CCCO[C@@H](C)C(=O)OC 74882931e69b82142f87fd9cd5771d40 [0,1,1,0,0,0|2,0,0]=4 472 B9R0.8 CCCO[C@H](C)C(=O)OC df7cac25b325230b3fd4729465a84aae [0,1,1,0,0,0|2,0,0]=4 473 B9R0.8 CCN(C)C(=O)CCCF 71a0c344902e76af27c94c81ecfb5689 [0,1,1,0,0,0|2,0,0]=4 474 B9R0.8 CCN(C)C(=O)CCCS ebcb8168812b12d3e6201ff6520bbfde [0,1,1,0,0,0|2,0,0]=4 475 B9R0.8 CCN(C)C(=O)CCOC 12efcb8903fa8774b65e426d72faaa46 [0,1,1,0,0,0|2,0,0]=4 476 B9R0.8 CCN(C)C(=O)CCSC fb6bfe34974fe6f4d63bc1e3eca693e5 [0,1,1,0,0,0|2,0,0]=4 477 B9R0.8 CCNCC(=O)N(C)CC 5cf52a07cf1f87dade5004287639de93 [0,1,1,0,0,0|2,0,0]=4 478 B9R0.8 CCNCC(C)C(=O)OC 23788628878427ebf06f8ab1848fc209 [0,1,1,0,0,0|2,0,0]=4 479 B9R0.8 CCOCC(=O)N(C)CC 3add8cdab6a5ad857d619a20fc9f3f22 [0,1,1,0,0,0|2,0,0]=4 480 B9R0.8 CCOCC(C)C(=O)OC 80236c9332b15389a08a7441e9591cd6 [0,1,1,0,0,0|2,0,0]=4 481 B9R0.8 CCOC[C@@H](C)C(=O)OC 906e0220267f0d94eef2fb7d2be7e97d [0,1,1,0,0,0|2,0,0]=4 482 B9R0.8 CCOC[C@H](C)C(=O)OC d76376f8be763bf61f075f3cd3189478 [0,1,1,0,0,0|2,0,0]=4 483 B9R0.8 CCSCC(=O)N(C)CC 0877064f4b888cfcb3222fa75ee19001 [0,1,1,0,0,0|2,0,0]=4 484 B9R0.8 CN(CCC#N)C(=O)C=O 1c3b5f69c342a672869c7a5d4e1e960a [0,1,1,0,0,0|1,0,1]=4 485 B9R0.8 CN(CCCO)C(=O)C=O 20a911cd4e654fe5d61782dffc3b9167 [0,1,1,0,0,0|1,0,0]=3 486 B9R0.8 CN(CCON)C(=O)C=O 2878148ff23ff47cef663525fb8e933e [0,1,1,0,0,0|2,0,0]=4 487 B9R0.8 CNC(=O)C(=O)NCCBr f8c63594bf47348149f74d45109933bf [0,1,1,0,0,0|2,0,0]=4 488 B9R0.8 CNC(=O)C(=O)NCCF 697dd0ff4e4e824bd392cb165edd2d97 [0,1,1,0,0,0|2,0,0]=4 489 B9R0.8 CNC(=O)C(=O)NCCI 79969295ddf67bb8ea5100823a97e3ab [0,1,1,0,0,0|2,0,0]=4 490 B9R0.8 CNC(=O)C(=O)NCCO 0faeaeeb75e067b34fa6aae2cf031742 [0,1,1,0,0,0|2,0,0]=4 491 B9R0.8 CNC(=O)C(=O)NCCS e026e8ab3abe5a671931ba14a8395c38 [0,1,1,0,0,0|2,0,0]=4 492 B9R0.8 COC(=O)C(=O)NCCBr 8767aa6d98ff9d853f8410f1b29b8d95 [0,1,1,0,0,0|2,0,0]=4 493 B9R0.8 COC(=O)C(=O)NCCF 7400fc8b15c2ce19bc52ed1c216b9ad5 [0,1,1,0,0,0|2,0,0]=4 494 B9R0.8 COC(=O)C(=O)NCCI 0df42588091d055b1188e4ae0243eb0c [0,1,1,0,0,0|2,0,0]=4 495 B9R0.8 COC(=O)C(=O)NCCO c95a2a1ebbe11de2b9a41a25c915d3ee [0,1,1,0,0,0|2,0,0]=4 496 B9R0.8 COC(=O)C(=O)NCCS df5b83bbed2d7e5f3575f51f891b322f [0,1,1,0,0,0|2,0,0]=4 497 B9R0.8 COCCN(C)C(=O)C=O c07dc6c6722601adad15ec6f7a798a1a [0,1,1,0,0,0|1,0,0]=3 498 B9R0.8 CSCCN(C)C(=O)C=O b6062168d5c130d510edba05705a19b6 [0,1,1,0,0,0|1,0,0]=3 499 B9R0.8 O=C(CS)C(=O)NCCBr 340a3bb1044c34f19149637f0ce02852 [0,1,1,0,0,0|2,0,0]=4 500 B9R0.8 O=C(CS)C(=O)NCCF 6e22085c087cc201e19be165fc8d323c [0,1,1,0,0,0|2,0,0]=4 501 B9R0.8 O=C(CS)C(=O)NCCI 91853e693f5f480eaba79de8acd88642 [0,1,1,0,0,0|2,0,0]=4 502 B9R0.8 O=C(CS)C(=O)NCCO dcc1c6d5c654a6b221cd9d032edbaf11 [0,1,1,0,0,0|2,0,0]=4 503 B9R0.8 O=C(CS)C(=O)NCCS ebd815b9d550d75dda5475bb6e23572e [0,1,1,0,0,0|2,0,0]=4 504 B9R0.12 C=CC(=O)N(CC)CCC 65eb831993d87b34fe266e3220a8d19b [0,1,1,0,0,0|2,0,0]=4 505 B9R0.12 CCCN(CC)C(=O)C=O a19f97e09aa2fe0ef98428a0a9f1811e [0,1,1,0,0,0|1,0,0]=3 506 B9R0.12 CCCN(CC)C(=O)CC cb71ae41710f8d3a5ad167a9d95c6ac7 [0,1,1,0,0,0|2,0,0]=4 507 B9R0.12 CCN(CCCl)C(=O)C=O d063f14addfac3100a591f73245457f0 [0,1,1,0,0,0|2,0,0]=4 508 B9R0.12 CCN(CCO)C(=O)C=O c651a865665fe712095eeb20f7e806e3 [0,1,1,0,0,0|2,0,0]=4 509 B9R0.12 O=CC(=O)N(CO)CCO 07497cb3fe8c47003a3baa291fe4dfc5 [0,1,1,0,0,0|2,0,0]=4 510 B9R0.23 C=CC(=O)N(C)CC(C)C edef3bb28a5d1b94d1c5bc31317b0ef4 [0,1,1,0,0,0|2,0,0]=4 511 B9R0.23 C=CC(=O)N(C)CC(C)O cff3d17cbab17e623ebdc7ee13fc5266 [0,1,1,0,0,0|2,0,0]=4 512 B9R0.23 C=CC(=O)N(C)C[C@H](C)O ef91621ff4744593726174dcaa013192 [0,1,1,0,0,0|2,0,0]=4 513 B9R0.23 CC(C)CN(C)C(=O)C=O 3fbd8f77e28632c1c16e75a7d36551d2 [0,1,1,0,0,0|1,0,0]=3 514 B9R0.23 CC(O)CC(C)N(C)C=O a5d82ccb6d57274c76bfa3c79a73fcf9 [0,1,1,0,0,0|2,0,0]=4 515 B9R0.23 CC(O)CN(C)C(=O)C=O b2a722c61bc48e8f1953c83dc2654cef [0,1,1,0,0,0|1,0,0]=3 516 B9R0.23 CCC(=O)N(C)CC(C)C cde337ffe0e19d9cd079efccf11733b4 [0,1,1,0,0,0|2,0,0]=4 517 B9R0.23 CCC(=O)N(C)CC(C)O b37926e3e0139f5802fffee824863659 [0,1,1,0,0,0|2,0,0]=4 518 B9R0.23 CCC(=O)N(C)C[C@H](C)O d094a8f9fbd58446360aa9a2aa1c6626 [0,1,1,0,0,0|2,0,0]=4 519 B9R0.23 CCN(C)C(=O)CC(C)C f5aa9c983521ea19a241f566d93b8cfe [0,1,1,0,0,0|2,0,0]=4 520 B9R0.23 CCN(C)C(=O)CC(C)O 79286a139a82e16689440e15446c3090 [0,1,1,0,0,0|2,0,0]=4 521 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 8eb99e0152f4508f4faade829e02b3f3 [0,1,1,0,0,0|2,0,0]=4 522 B9R0.23 CCN(C)C(=O)C[C@H](C)O ad454d3c45b697685e93ab87b03c70c6 [0,1,1,0,0,0|2,0,0]=4 523 B9R0.23 CN(CC(F)F)C(=O)C=O dbba0e78f91225a9c71354b3b770870d [0,1,1,0,0,0|2,0,0]=4 524 B9R0.23 C[C@H](O)CN(C)C(=O)C=O e8c6d88bb0382d446d3184bf6f9329cd [0,1,1,0,0,0|1,0,0]=3 525 B9R0.35 C/C=C/C(=O)N(C)CCC 7176acd508d8bda847e992f2438ce3b5 [0,1,1,0,0,0|2,0,0]=4 526 B9R0.35 C=CCC(=O)N(C)CCC d804da72f85ca58458cb9a8dec056216 [0,1,1,0,0,0|2,0,0]=4 527 B9R0.35 CCCC(=O)C(=O)NC#N b0e31a923e401cdffbd3c05c090cb38f [0,1,1,0,0,0|1,0,1]=4 528 B9R0.35 CCCC(=O)N(C)CCC 4f10a4b8ce3fe8d6db7f1b42323fcb3d [0,1,1,0,0,0|2,0,0]=4 529 B9R0.35 CCCC(=O)N(C)CCF 0119d351f9e71eb6e041402128a58ddc [0,1,1,0,0,0|2,0,0]=4 530 B9R0.35 CCCC(=O)N(C)CCO f0b5ab6bc74bbd3ffd5f7deea09303f1 [0,1,1,0,0,0|2,0,0]=4 531 B9R0.35 CCCN(C)C(=O)/C=C/Br fc814f761577aa3d4f02f719a5d202ef [0,1,1,0,0,0|2,0,0]=4 532 B9R0.35 CCCN(C)C(=O)/C=C/Cl 1283073d4cd42cd3e455ed09342c0bf1 [0,1,1,0,0,0|2,0,0]=4 533 B9R0.35 CCCN(C)C(=O)/C=C/I 1e115d4908d9c1288cffe40af76dfe42 [0,1,1,0,0,0|2,0,0]=4 534 B9R0.35 CCCN(C)C(=O)/C=C\Br c5a8a06ce189211d048e26eafd7d3eb7 [0,1,1,0,0,0|2,0,0]=4 535 B9R0.35 CCCN(C)C(=O)/C=C\Cl 0aea5df2ccb43e4731b068267f648ce9 [0,1,1,0,0,0|2,0,0]=4 536 B9R0.35 CCCN(C)C(=O)/C=C\I 48dd8bdd5a41adfc2aad2a516b6b5d98 [0,1,1,0,0,0|2,0,0]=4 537 B9R0.35 CCCN(C)C(=O)C=CBr 4027752ba16a85b4bb9b95cede57ae13 [0,1,1,0,0,0|2,0,0]=4 538 B9R0.35 CCCN(C)C(=O)C=CI 0b31b5e766f37f2a15f2d3d37ae69ef2 [0,1,1,0,0,0|2,0,0]=4 539 B9R0.35 CCCN(C)C(=O)CC=O 53b9d999b44048d70cd71c5e038ea488 [0,1,1,0,0,0|1,0,0]=3 540 B9R0.35 CCCN(C)C(=O)CCF 3692c7802f2ced3890f500b9fb96e349 [0,1,1,0,0,0|2,0,0]=4 541 B9R0.35 CCCN(C)C(=O)CCO 2c358179ff5e9410b64eb75b4194687e [0,1,1,0,0,0|2,0,0]=4 542 B9R0.35 CCCN(C)C(=O)CCS 44da94222c71c297c4c39e3067e08a51 [0,1,1,0,0,0|2,0,0]=4 543 B9R0.35 CCCN(C)C(=O)COC 762ec05ebc48f693f57ef51bddec7e34 [0,1,1,0,0,0|2,0,0]=4 544 B9R0.35 CCCN(C)C(=O)CSC e3dfaf5f0c7e0f5fe72ae4765f7b6e0e [0,1,1,0,0,0|2,0,0]=4 545 B9R0.35 CN(CCF)C(=O)CC=O 493fcf932b56fbd226f2382d2c9a5b2a [0,1,1,0,0,0|2,0,0]=4 546 B9R0.35 CN(CCO)C(=O)CC=O e1da679da82ee002bdb993620ad12c11 [0,1,1,0,0,0|2,0,0]=4 547 B9R0.37 CCCN(C)C(C=O)C=O c6b9c5378e51e6a1bd538b5a39e772ba [0,1,1,0,0,0|1,0,1]=4 548 B9R0.1 C=C(Br)CCOC(C)C=O 9ff77753eecf21a264dfa740128adf17 [0,1,1,0,0,0|2,0,0]=4 549 B9R0.1 C=C(Br)CCO[C@H](C)C=O 28da0717b13dc7d3f09c6a1aa321b32b [0,1,1,0,0,0|2,0,0]=4 550 B9R0.1 C=C(C)CCNC(=O)C=O 9148a6ce8e756b969aa569b20bbfa438 [0,1,1,0,0,0|1,0,1]=4 551 B9R0.1 C=C(C)CCNC(C)C=O 43df71f67deba1e9670d934a997b28ba [0,1,1,0,0,0|2,0,0]=4 552 B9R0.1 C=C(C)CCN[C@H](C)C=O 9f6aefe3784797b8d1eda46fd27c5d92 [0,1,1,0,0,0|2,0,0]=4 553 B9R0.1 C=C(C)CCOC(C)C=O 4cb57bc5ca557f8d37494c9f5d99b4d8 [0,1,1,0,0,0|2,0,0]=4 554 B9R0.1 C=C(C)CCO[C@H](C)C=O 3b4054d59e34118a5304e6ec77e57580 [0,1,1,0,0,0|2,0,0]=4 555 B9R0.1 C=C(C=O)OCCC(C)C 993d6c44e913d202317615362ca5bde2 [0,1,1,0,0,0|2,0,0]=4 556 B9R0.1 C=CC(=O)NCCC(C)C 3eac58699bc526229809032762dcd7ee [0,1,1,0,0,0|2,0,0]=4 557 B9R0.1 C=CC(=O)NCCC(C)O 008a52cf2dca8e7c1e23b81639bb6755 [0,1,1,0,0,0|2,0,0]=4 558 B9R0.1 C=CC(=O)NCC[C@@H](C)O 28dba9c045f1f465900b10b663ac039a [0,1,1,0,0,0|2,0,0]=4 559 B9R0.1 C=CC(=O)NCC[C@H](C)O 6c52302fd5dd8f1ddb807dd5e32c4406 [0,1,1,0,0,0|2,0,0]=4 560 B9R0.1 C=CC(C)COCC(=O)N ae9bc94dd26e7a18053afc948b9436c9 [0,1,1,0,0,0|2,0,0]=4 561 B9R0.1 C=CC(C)COCC(=O)O b37de9a6da072d47f216f61c5cd125d6 [0,1,1,0,0,0|2,0,0]=4 562 B9R0.1 C=CC(C)NCCC(=O)C 457f6d262ba13d08c71dcb593daa26f2 [0,1,1,0,0,0|2,0,0]=4 563 B9R0.1 C=CC(C)NCCC(=O)N cfbfcca6230e3217dcae6bc69c125632 [0,1,1,0,0,0|2,0,0]=4 564 B9R0.1 C=CC(C)NCCC(=O)O 79ff7d3cdb6746c9598fe1cfb61269b1 [0,1,1,0,0,0|2,0,0]=4 565 B9R0.1 C=CC(C)OCCC(=O)C dfb65db25ab8c59bf238c7e9df2821b1 [0,1,1,0,0,0|2,0,0]=4 566 B9R0.1 C=CC(C)OCCC(=O)N 2a4682cec24a6b5042cd59f60759f4b9 [0,1,1,0,0,0|2,0,0]=4 567 B9R0.1 C=CC(C)OCCC(=O)O 715e83dec8bd7b5ea255c0588e4ec66b [0,1,1,0,0,0|2,0,0]=4 568 B9R0.1 C=C[C@H](C)OCCC(=O)C 9bbd1cc0e46dfd5c6e8db01fc1773cb1 [0,1,1,0,0,0|2,0,0]=4 569 B9R0.1 C=C[C@H](C)OCCC(=O)N a469ad7a9ee6069799852369b28bf27c [0,1,1,0,0,0|2,0,0]=4 570 B9R0.1 C=C[C@H](C)OCCC(=O)O 713b61bf87b3acb53853822b10178bd4 [0,1,1,0,0,0|2,0,0]=4 571 B9R0.1 CC(=O)CCOC(C)C=O cb160a994c939e385607c4106d0006ba [0,1,1,0,0,0|1,0,0]=3 572 B9R0.1 CC(=O)CCO[C@H](C)C=O 0cefdf85f806832833faf787e48b718b [0,1,1,0,0,0|1,0,0]=3 573 B9R0.1 CC(=O)NCOC(C)C=O 75e9242d70e19121f7e9ffb1590863f4 [0,1,1,0,0,0|2,0,0]=4 574 B9R0.1 CC(=O)NCO[C@H](C)C=O 4c274d543100dcd740277d98c68b4856 [0,1,1,0,0,0|2,0,0]=4 575 B9R0.1 CC(=O)OCOC(C)C=O 4ebfdbd82ff0ba4ca8de8863722a8986 [0,1,1,0,0,0|2,0,0]=4 576 B9R0.1 CC(C)CCNC(=O)C=O 3e18bda81d0213cfda084da64572a73c [0,1,1,0,0,0|1,0,0]=3 577 B9R0.1 CC(C=O)NCCC(=O)N 0a497b65732dd54e85210165ecae12a6 [0,1,1,0,0,0|1,0,0]=3 578 B9R0.1 CC(C=O)NCCC(=O)O c047f24fc3d15f3badbf76260054cc9f [0,1,1,0,0,0|1,0,0]=3 579 B9R0.1 CC(C=O)NCCC(=S)N 23845ed92f575b277c88a99312069c75 [0,1,1,0,0,0|1,1,0]=4 580 B9R0.1 CC(C=O)NCCS(=O)C 3edf3dc3e6e9aec19119179e90a20987 [0,1,1,0,0,0|2,0,0]=4 581 B9R0.1 CC(C=O)NCCS(=O)O 6315fcac9ac91eb3ba34381bd1615fc2 [0,1,1,0,0,0|2,0,0]=4 582 B9R0.1 CC(C=O)OCCC(=O)N 723758d0da03869338ad7f140180561f [0,1,1,0,0,0|1,0,0]=3 583 B9R0.1 CC(C=O)OCCC(=O)O 056bb2d7d93cc893e2815e75c928f63b [0,1,1,0,0,0|1,0,0]=3 584 B9R0.1 CC(C=O)OCCS(=O)C ca679856f7f7abe1bc7fc88b1c13f4f0 [0,1,1,0,0,0|2,0,0]=4 585 B9R0.1 CC(C=O)OCC[N+](=O)[O-] 70f8d430de6def0a31326eb8b9e0376d [0,1,1,0,0,0|2,0,0]=4 586 B9R0.1 CC(C=O)OCNC(=O)N 21f976e43fd24f3f94e7742dc774a0ad [0,1,1,0,0,0|2,0,0]=4 587 B9R0.1 CC(C=O)OCSC(=O)N 44ccd712cca292309ea8189bf97bd3cf [0,1,1,0,0,0|2,0,0]=4 588 B9R0.1 CC(O)CCNC(=O)C=O 500a57bebfd5261d3f0f8c9320411135 [0,1,1,0,0,0|1,0,0]=3 589 B9R0.1 CN(C)CCNC(=O)C=O 9dc9d3b724acd2e6b420a7e485bc3a3e [0,1,1,0,0,0|2,0,0]=4 590 B9R0.1 CN(C=O)CCCC(=O)N 1039857edbd9480a91f0e32a53a7887d [0,1,1,0,0,0|1,0,0]=3 591 B9R0.1 CS(=O)CCNC(=O)C=O 7830c85f33fa3012be2e77975f62a5ea [0,1,1,0,0,0|2,0,0]=4 592 B9R0.1 C[C@@H](O)CCNC(=O)C=O 39832c64815f6d3c92ea5a825a51a324 [0,1,1,0,0,0|1,0,0]=3 593 B9R0.1 C[C@H](C=O)NCCC(=O)N 57a3c92d9100fb4c15bb11d07cab3b3b [0,1,1,0,0,0|1,0,0]=3 594 B9R0.1 C[C@H](C=O)NCCC(=O)O 568b307ebcb4ab5b4df113dd91c9a6dc [0,1,1,0,0,0|1,0,0]=3 595 B9R0.1 C[C@H](C=O)NCCC(=S)N ecf4b3758c134105ccdc7de29e912465 [0,1,1,0,0,0|1,1,0]=4 596 B9R0.1 C[C@H](C=O)NCCS(=O)C 159b52598adc92c1b324676fa3664080 [0,1,1,0,0,0|2,0,0]=4 597 B9R0.1 C[C@H](C=O)NCCS(=O)O 16c57c2a89c360c6e6357bad716217cd [0,1,1,0,0,0|2,0,0]=4 598 B9R0.1 C[C@H](C=O)OCCC(=O)N 6c390f4a6745397018a94d322ce456f3 [0,1,1,0,0,0|1,0,0]=3 599 B9R0.1 C[C@H](C=O)OCCC(=O)O 6123759046df411af3794a1ca6644131 [0,1,1,0,0,0|1,0,0]=3 600 B9R0.1 C[C@H](C=O)OCCS(=O)C 30df767ceccbd7dd3ee62395c6733f9a [0,1,1,0,0,0|2,0,0]=4 601 B9R0.1 C[C@H](C=O)OCC[N+](=O)[O-] f7b86c29c9302c4d34e667f24829b9d6 [0,1,1,0,0,0|2,0,0]=4 602 B9R0.1 C[C@H](C=O)OCNC(=O)N 65f342f9bd7f67972fbcb1c1f0c40724 [0,1,1,0,0,0|2,0,0]=4 603 B9R0.1 C[C@H](O)CCNC(=O)C=O 3260c79bc167bb2c467ba0f7ea799ebb [0,1,1,0,0,0|1,0,0]=3 604 B9R0.1 O=CC(=O)NCCC(F)F 4aef439b30ac382523f72aa9cd781160 [0,1,1,0,0,0|2,0,0]=4 605 B9R0.5 C/C=C/C(=O)NCCCC 44c051192513db47c1c826c71178c208 [0,1,1,0,0,0|2,0,0]=4 606 B9R0.5 C/C=C/C(C)OCCC=O 098e07306232c4b5e0a6a64a272f21a0 [0,1,1,0,0,0|2,0,0]=4 607 B9R0.5 C=CCC(=O)NCCCC aa4e9cc01c944a911bc93657ec8591fa [0,1,1,0,0,0|2,0,0]=4 608 B9R0.5 C=CCC(C)COCC=O 0a27cf807748afa98ec504f01efdfb3e [0,1,1,0,0,0|2,0,0]=4 609 B9R0.5 C=CCC(C)OCCC=O 075717c6b737a26bc4f1ca9d182c2a9f [0,1,1,0,0,0|2,0,0]=4 610 B9R0.5 C=CCCCN(C)CC=O 54c08b3cc769514e19a6e57f3c1f2880 [0,1,1,0,0,0|2,0,0]=4 611 B9R0.5 C=CCN(C)CCCC=O 8f683f6be8681be3eeb754483aee9e14 [0,1,1,0,0,0|2,0,0]=4 612 B9R0.5 C=CC[C@@H](C)OCCC=O 5461e887c54c109feab2d5d21960028e [0,1,1,0,0,0|2,0,0]=4 613 B9R0.5 C=CC[C@H](C)OCCC=O 0a0d46b0c3bae4994294bf461cec11b6 [0,1,1,0,0,0|2,0,0]=4 614 B9R0.5 C=COC(=O)CNCCC 3fcb2e78c6d37ddb589d8fb06a6c54d6 [0,1,1,0,0,0|2,0,0]=4 615 B9R0.5 C=COC(=O)COCCC 5f1ff34a229b00591eee62972bb38422 [0,1,1,0,0,0|2,0,0]=4 616 B9R0.5 CC=CC(C)OCCC=O ae07f3a7f2e0590e653192f5c0c5c1be [0,1,1,0,0,0|2,0,0]=4 617 B9R0.5 CCCCCC(=O)NC#N 608ac8706cb8f7927089caf9f4c8964c [0,1,1,0,0,0|1,0,1]=4 618 B9R0.5 CCCCCC(C)NC=O 8ebcf0f9aaad2891aad2d805d5730b90 [0,1,1,0,0,0|1,0,1]=4 619 B9R0.5 CCCCCN(C)CC=O 78bb5a09a7732691e4b2ef4ef4683cdd [0,1,1,0,0,0|2,0,0]=4 620 B9R0.5 CCCCC[C@H](C)NC=O e9ec5cd528aff38be097392db8efa5ac [0,1,1,0,0,0|1,0,1]=4 621 B9R0.5 CCCCNC(=O)/C=C/Br 0dbf6af00ee33ccc94775c9b10e14f2d [0,1,1,0,0,0|2,0,0]=4 622 B9R0.5 CCCCNC(=O)/C=C/Cl fb70afe77876110b5a0d3d6f58130074 [0,1,1,0,0,0|2,0,0]=4 623 B9R0.5 CCCCNC(=O)/C=C/I 08fac6c7b0e84b5c53498e160a252913 [0,1,1,0,0,0|2,0,0]=4 624 B9R0.5 CCCCNC(=O)/C=C\Br 110d3567aadc8708039726a6bf79929a [0,1,1,0,0,0|2,0,0]=4 625 B9R0.5 CCCCNC(=O)/C=C\Cl 64b3a61ed02d229a647bad55a8000a4d [0,1,1,0,0,0|2,0,0]=4 626 B9R0.5 CCCCNC(=O)/C=C\I dae7cd6cc453b79a863443f276a900b7 [0,1,1,0,0,0|2,0,0]=4 627 B9R0.5 CCCCNC(=O)C=CBr 8793bc76d4d65e4bf0ad7dc4bd382289 [0,1,1,0,0,0|2,0,0]=4 628 B9R0.5 CCCCNC(=O)C=CI bfc7d529d3d35a1a9f3c76e20f482d83 [0,1,1,0,0,0|2,0,0]=4 629 B9R0.5 CCCCNC(=O)CC=O 836473a80945117a02207b121e995b64 [0,1,1,0,0,0|1,0,0]=3 630 B9R0.5 COCCNC(=O)CC=O 81087711cd9c58b7bafc5f3494527ebc [0,1,1,0,0,0|2,0,0]=4 631 B9R0.5 CSCCNC(=O)CC=O b34a42cb893ad3b4e843f506c4e63d42 [0,1,1,0,0,0|2,0,0]=4 632 B9R0.5 O=CCC(=O)NCCCCl be5d0a6ee6b488f1a038651da8808abf [0,1,1,0,0,0|2,0,0]=4 633 B9R0.5 O=CCC(=O)NCCCO 57159a12ad587b1d7ae726c989e182f7 [0,1,1,0,0,0|2,0,0]=4 634 B9R0.20 C=CC(C)(C)COCC=O e74a12ac42e4c4ab3d710626651d1c07 [0,1,1,0,0,0|2,0,0]=4 635 B9R0.20 C=CCOCC(C)(C)C=O 14a82d3ff81b868d329cb58e0f843d0a [0,1,1,0,0,0|2,0,0]=4 636 B9R0.20 CC(C)(C=O)COCC=O 519a1b65908666b5b07f155ddb669c65 [0,1,1,0,0,0|1,0,0]=3 637 B9R0.24 C=C(C=O)OCC(C)CC 94076fbb637be2099fefe5bb74ab7631 [0,1,1,0,0,0|2,0,0]=4 638 B9R0.24 C=C(C=O)OC[C@@H](C)CC c92820c9001e5f184f75d6985b3ac715 [0,1,1,0,0,0|2,0,0]=4 639 B9R0.24 C=C(C=O)OC[C@H](C)CC acdcdc2ceb58caf2909e400b4e88cdbc [0,1,1,0,0,0|2,0,0]=4 640 B9R0.24 C=CC(=O)NCC(C)CC 741b92221edb49a5786b80da6b26f931 [0,1,1,0,0,0|2,0,0]=4 641 B9R0.24 C=CC(=O)NCC(O)CC b7e1f3cdc2c992d954fae7c24caef83b [0,1,1,0,0,0|2,0,0]=4 642 B9R0.24 C=CC(=O)NC[C@@H](C)CC ed2dd0e0ee88d18345665ce5dc441f7e [0,1,1,0,0,0|2,0,0]=4 643 B9R0.24 C=CC(=O)NC[C@H](O)CC 1eef8d96e2aed42a7bc2a42dc790e786 [0,1,1,0,0,0|2,0,0]=4 644 B9R0.24 C=CC(C)COC(C)C=O 1fd48ca94cb88b5521f90c79e04bbee4 [0,1,1,0,0,0|2,0,0]=4 645 B9R0.24 C=CC(C)CO[C@H](C)C=O 2de3e4ecb1eb92127e58706b1e119a38 [0,1,1,0,0,0|2,0,0]=4 646 B9R0.24 C=CC(O)CNC(C)C=O 59afe4c6f2779d21fab3c6e0646bac52 [0,1,1,0,0,0|2,0,0]=4 647 B9R0.24 C=CC(O)CN[C@H](C)C=O dbbe9c32bdeae38f7f247e971c796a37 [0,1,1,0,0,0|2,0,0]=4 648 B9R0.24 CC(CO)CNC(=O)C=O 0c184885911fbc71450e3ddd6b5f3577 [0,1,1,0,0,0|2,0,0]=4 649 B9R0.24 CCC(C)CNC(=O)C=O 91d514cf28991274b1ca6d31974e5e31 [0,1,1,0,0,0|1,0,0]=3 650 B9R0.24 CCC(O)CNC(=O)C=O 589325bffb56b969b1f67eea67c8d0cc [0,1,1,0,0,0|1,0,0]=3 651 B9R0.24 CC[C@@H](O)CNC(=O)C=O b2c16a451601358949d787dd856420b3 [0,1,1,0,0,0|1,0,0]=3 652 B9R0.24 CC[C@H](C)CNC(=O)C=O b152f22fd6d2bdaa800d838b41994c4f [0,1,1,0,0,0|1,0,0]=3 653 B9R0.24 CO[C@@H](C)CNC(=O)C=O 416ce50d5667fe2c054d92fe8e1ae3ca [0,1,1,0,0,0|2,0,0]=4 654 B9R0.24 CO[C@H](C)CNC(=O)C=O 5d92e88f5294d4eba46afe3bad3297db [0,1,1,0,0,0|2,0,0]=4 655 B9R0.24 C[C@H](CO)CNC(=O)C=O 8889175de452081f82deb5969c2399f0 [0,1,1,0,0,0|2,0,0]=4 656 B9R0.24 O=CC(=O)NCC(Br)CBr ba168b3f8e6e2e14267ff87a52298124 [0,1,1,0,0,0|2,0,0]=4 657 B9R0.24 O=CC(=O)NCC(F)CO d5709568a496ce3364d25a897bca9430 [0,1,1,0,0,0|2,0,0]=4 658 B9R0.24 O=CC(=O)NCC(O)CO cd190eb9855cda279cd5b5c335c726c6 [0,1,1,0,0,0|2,0,0]=4 659 B9R0.24 O=CC(=O)NC[C@@H](F)CO 82e4c5b3923a3285904ab66d4323d1e4 [0,1,1,0,0,0|2,0,0]=4 660 B9R0.24 O=CC(=O)NC[C@@H](O)CO f9306079213e908ec1f491bd2ec973cc [0,1,1,0,0,0|2,0,0]=4 661 B9R0.24 O=CC(=O)NC[C@H](F)CO a2b955370c306b7a5ab4fcc9ba45ba70 [0,1,1,0,0,0|2,0,0]=4 662 B9R0.24 O=CC(=O)NC[C@H](O)CO 9f916b4696bf8650f11c198f47196a1e [0,1,1,0,0,0|2,0,0]=4 663 B9R0.34 C=C(C=O)OC(C)CCC 979f90834a5eca82fa0a112573062881 [0,1,1,0,0,0|2,0,0]=4 664 B9R0.34 C=CC(=O)NC(C)CCC 5ac77412dce7bf0021b564aebcc19f5a [0,1,1,0,0,0|2,0,0]=4 665 B9R0.34 C=CC(=O)N[C@@H](C)CCC 679261b3434e976ef3fab88d3604d028 [0,1,1,0,0,0|2,0,0]=4 666 B9R0.34 C=CCC(C)OC(C)C=O cab24638ab4ff1fde8cfaa6f9485c44e [0,1,1,0,0,0|2,0,0]=4 667 B9R0.34 C=CCC(C)O[C@H](C)C=O 10d8c85d4152e73c880158a6bd623385 [0,1,1,0,0,0|2,0,0]=4 668 B9R0.34 C=CC[C@@H](C)OC(C)C=O fec816d96446c6c5a3b9841fca80e9a4 [0,1,1,0,0,0|2,0,0]=4 669 B9R0.34 C=CC[C@@H](C)O[C@H](C)C=O 86d231458c1fc14d455e2a71542abbe3 [0,1,1,0,0,0|2,0,0]=4 670 B9R0.34 C=CC[C@H](C)OC(C)C=O c208b950a3005de755de4e852f4c811d [0,1,1,0,0,0|2,0,0]=4 671 B9R0.34 C=CC[C@H](C)O[C@H](C)C=O 50a75a4808e110af85edcc7c39e2487a [0,1,1,0,0,0|2,0,0]=4 672 B9R0.34 CC(CCO)NC(=O)C=O d8e672fa6e85dba5b6356f3f455ae6ed [0,1,1,0,0,0|2,0,0]=4 673 B9R0.34 CCCC(C)NC(=O)C=O dc38ba5950699f1803639c5140fa8f50 [0,1,1,0,0,0|1,0,0]=3 674 B9R0.34 CCC[C@H](C)NC(=O)C=O 81441a404e2525c1e98a6c56f6b1e7e7 [0,1,1,0,0,0|1,0,0]=3 675 B9R0.34 COCC(C)NC(=O)C=O 7c6101c88d393f86ef52b3d00a97740e [0,1,1,0,0,0|2,0,0]=4 676 B9R0.34 COC[C@@H](C)NC(=O)C=O 1c118e5f298277fe11bcf5721dadc36a [0,1,1,0,0,0|2,0,0]=4 677 B9R0.34 COC[C@H](C)NC(=O)C=O e71153b1401d9ff78fd5472327f20638 [0,1,1,0,0,0|2,0,0]=4 678 B9R0.34 C[C@@H](CCO)NC(=O)C=O 414b7153b4d6feae3ebd6684523827cf [0,1,1,0,0,0|2,0,0]=4 679 B9R0.34 C[C@H](CCO)NC(=O)C=O 685a2cc4150d23a946d51f098e0839fd [0,1,1,0,0,0|2,0,0]=4 680 B9R0.46 C#CC(=O)NCCCCC 55fc13b7f9003645b4c9dcf569b4fc58 [0,1,1,0,0,0|1,0,1]=4 681 B9R0.46 C#CC(C)NCCCC=O d1ac297fddb60173903a6fd3b70a445f [0,1,1,0,0,0|1,0,1]=4 682 B9R0.46 C#CC(C)OCCCC=O 9ffbf0b532c58ba823934d4ed499186e [0,1,1,0,0,0|1,0,1]=4 683 B9R0.46 C#CCCCNC(=O)C=O 41c71e40b105a3335609f183c2d4f226 [0,1,1,0,0,0|0,0,2]=4 684 B9R0.46 C#CCCCNC(C)C=O b87db027dca7b3cd4d72aad242f370cd [0,1,1,0,0,0|1,0,1]=4 685 B9R0.46 C#CCCCN[C@H](C)C=O 73d6ef0702af7d1ead800aa48e005eed [0,1,1,0,0,0|1,0,1]=4 686 B9R0.46 C#CCCCOC(C)C=O 621b5bb2926b9ba84c30a782a2e8d203 [0,1,1,0,0,0|1,0,1]=4 687 B9R0.46 C#CCCCO[C@H](C)C=O ac85badae5c63aa3576acbc441b7a763 [0,1,1,0,0,0|1,0,1]=4 688 B9R0.46 C#C[C@@H](C)NCCCC=O 030380ccb819c6bd983103f0301383b3 [0,1,1,0,0,0|1,0,1]=4 689 B9R0.46 C#C[C@@H](C)OCCCC=O ccb1ca3d63cbbf880294800d4adbbc8b [0,1,1,0,0,0|1,0,1]=4 690 B9R0.46 C#C[C@H](C)NCCCC=O 77516fb4108743b53263b1df3f5099b5 [0,1,1,0,0,0|1,0,1]=4 691 B9R0.46 C#C[C@H](C)OCCCC=O cff0e67dbc0f909efcaf1853c5d40efd [0,1,1,0,0,0|1,0,1]=4 692 B9R0.46 C/C(=C\I)/COCCC=O 93958d036f1900951a42b7d7b7d30852 [0,1,1,0,0,0|1,0,1]=4 693 B9R0.46 C/C=C/CCOC(C)C=O 3ad4da93be98069af5793980e01a210a [0,1,1,0,0,0|1,0,1]=4 694 B9R0.46 C/C=C/CCO[C@H](C)C=O d30e75c82fb917355dec843613f68c7e [0,1,1,0,0,0|1,0,1]=4 695 B9R0.46 C=C(C=O)OCCCC=O 8c43d5d71752865089a773ab9c529009 [0,1,1,0,0,0|0,0,2]=4 696 B9R0.46 C=C(C=O)OCCCCC 73f23f9026875d2248a24c18d18361c4 [0,1,1,0,0,0|1,0,0]=3 697 B9R0.46 C=C(C=O)OCCCCF 8d400df337a58e1ceb6bd7f7af37aef7 [0,1,1,0,0,0|2,0,0]=4 698 B9R0.46 C=C(C=O)OCCCOC a7e10a6b7893363a34f234fe99f6d0a8 [0,1,1,0,0,0|2,0,0]=4 699 B9R0.46 C=C(C=O)OCCCSC 234b14463c3e346d12feb8fafbbb4546 [0,1,1,0,0,0|2,0,0]=4 700 B9R0.46 C=C(C=O)OCCOCC 06963c60068c2ced5ea76633006ea325 [0,1,1,0,0,0|2,0,0]=4 701 B9R0.46 C=C(C=O)OCCSCC 96f672738e2630286ff8bb377631ed54 [0,1,1,0,0,0|2,0,0]=4 702 B9R0.46 C=C=CCCOC(C)C=O 54dd1c7a2a06ca1af1c841e524403b7a [0,1,1,0,0,0|2,0,0]=4 703 B9R0.46 C=C=CCCO[C@H](C)C=O b0867ecef817b53fdc3f31e4447235c0 [0,1,1,0,0,0|2,0,0]=4 704 B9R0.46 C=CC(=O)NCCCCC 3b0f86819ad9750509b8e015b4922164 [0,1,1,0,0,0|1,0,0]=3 705 B9R0.46 C=CC(=O)NCCCCCl 037fbe1d4b2f181463bbb289db3ca074 [0,1,1,0,0,0|2,0,0]=4 706 B9R0.46 C=CC(=O)NCCCCO ca93ef7e5445c9fdf6ec709699f55973 [0,1,1,0,0,0|2,0,0]=4 707 B9R0.46 C=CC(=O)NCCCCS 92deec0ca07db651598afe9c510332d4 [0,1,1,0,0,0|2,0,0]=4 708 B9R0.46 C=CC(=O)NCCCOC 8b1f992198a1c4b96b17b7923d7e394a [0,1,1,0,0,0|2,0,0]=4 709 B9R0.46 C=CC(=O)NCCCSC c58aa27bbce2f539a76f326796f00759 [0,1,1,0,0,0|2,0,0]=4 710 B9R0.46 C=CC(=O)NCCNCC efb87fcfc433bd5d917a12277ea2ff69 [0,1,1,0,0,0|2,0,0]=4 711 B9R0.46 C=CC(=O)NCCOCC 31ad53c610530c8fb6f02d759d193915 [0,1,1,0,0,0|2,0,0]=4 712 B9R0.46 C=CC(=O)NCCSCC db86a330ee341813a3c9eeeae4927fb3 [0,1,1,0,0,0|2,0,0]=4 713 B9R0.46 C=CC(=O)NCOCCC 53f7efb31eae4af464fa455eda13bdab [0,1,1,0,0,0|2,0,0]=4 714 B9R0.46 C=CC(=O)OCCOCC a7267376030751357e0b12ad264c9728 [0,1,1,0,0,0|2,0,0]=4 715 B9R0.46 C=CC(C)COCCC=O d326f0fa7437fbc0a1c298c153fbde83 [0,1,1,0,0,0|1,0,0]=3 716 B9R0.46 C=CC(C)NCCCC=O e5d4027ef9d2300a7ed5efa7d96256a7 [0,1,1,0,0,0|1,0,0]=3 717 B9R0.46 C=CC(C)OCCCC=O e3fac3a438be00548cf06e77a9a3cc0f [0,1,1,0,0,0|1,0,0]=3 718 B9R0.46 C=CC(C)OCCNC=O d1ff6a17ee34edfbf55cd95f198b36d2 [0,1,1,0,0,0|2,0,0]=4 719 B9R0.46 C=CC(C)OCCOC=O 11455df079d59d5d85132299320af11d [0,1,1,0,0,0|2,0,0]=4 720 B9R0.46 C=CC(O)CNCCC=O 1ed01f45a8251d038587c0a490c4f721 [0,1,1,0,0,0|2,0,0]=4 721 B9R0.46 C=CCCCCN(C)C=O fb88825adf426b3afaffcb86eef7196b [0,1,1,0,0,0|2,0,0]=4 722 B9R0.46 C=CCCCNC(=O)C=O 89bf481ae5ff9899c1cff6b6f6dda7da [0,1,1,0,0,0|0,0,2]=4 723 B9R0.46 C=CCCCNC(C)C=C 2780bc8170097192e184e61955dbd757 [0,1,1,0,0,0|2,0,0]=4 724 B9R0.46 C=CCCCNC(C)C=O 59c0c92674c55399647b0ed64c79283b [0,1,1,0,0,0|1,0,0]=3 725 B9R0.46 C=CCCCN[C@H](C)C=O 2828f177481a652fa86431be78bfb98a [0,1,1,0,0,0|1,0,0]=3 726 B9R0.46 C=CCCCOC(C)C=C 1c31366b8e42b740a1c50bebae1885de [0,1,1,0,0,0|2,0,0]=4 727 B9R0.46 C=CCCCOC(C)C=O 0d3b57c48d11263bb29fbe3d1711e4f6 [0,1,1,0,0,0|1,0,0]=3 728 B9R0.46 C=CCCCO[C@@H](C)C=C bc2d9cce416710af0ec2a6a34d6c4be9 [0,1,1,0,0,0|2,0,0]=4 729 B9R0.46 C=CCCCO[C@H](C)C=O 9bcfd1d4d3f44a169a8584e77cafa925 [0,1,1,0,0,0|1,0,0]=3 730 B9R0.46 C=CCCOCC(C)C=C 028b3545fff814921bb6bb4104daba32 [0,1,1,0,0,0|2,0,0]=4 731 B9R0.46 C=CCOCCN(C)C=O 6c46bddc28ed92ee2f49c2674e298e4c [0,1,1,0,0,0|2,0,0]=4 732 B9R0.46 C=COCCNC(C)C=O 953d5d9749af174f07eee6280ac1bdfa [0,1,1,0,0,0|2,0,0]=4 733 B9R0.46 C=COCCN[C@H](C)C=O 6e16177e4a35b52da1489ac6c242bef7 [0,1,1,0,0,0|2,0,0]=4 734 B9R0.46 C=COCCOC(C)C=O dee716d5c0db1df991651f867e447c24 [0,1,1,0,0,0|2,0,0]=4 735 B9R0.46 C=COCCO[C@H](C)C=O f8d2d9262d24a242c0b0c53b5e3c1bd4 [0,1,1,0,0,0|2,0,0]=4 736 B9R0.46 C=C[C@H](C)OCCCC=O 7cce1b7c183177af9aa0a9f34aff0343 [0,1,1,0,0,0|1,0,0]=3 737 B9R0.46 CC(=CI)COCCC=O 729189713f2a7d2286b6291afdc6178f [0,1,1,0,0,0|1,0,1]=4 738 B9R0.46 CC(C#N)CNCCC=O 70102e6cba48d9c9c370ce1bf50c4389 [0,1,1,0,0,0|1,0,1]=4 739 B9R0.46 CC(C#N)COCCC=O 51378ed26f15e9f343b3423172a16322 [0,1,1,0,0,0|1,0,1]=4 740 B9R0.46 CC(C#N)NCCCC=O a006f9389b4af42410e529df61d84e05 [0,1,1,0,0,0|1,0,1]=4 741 B9R0.46 CC(C#N)OCCCC=O 2a5ee4c2c4dbef4ba2e6ddd091e392a6 [0,1,1,0,0,0|1,0,1]=4 742 B9R0.46 CC(C=O)NCCCC#N 4500e8f150e09c56e6829add45f1688c [0,1,1,0,0,0|1,0,1]=4 743 B9R0.46 CC(C=O)NCCCCCl 578f8df0cf2c2ec3a9947a8bdfdd4c9a [0,1,1,0,0,0|1,0,1]=4 744 B9R0.46 CC(C=O)NCCCCO 058005ffd19202b24a3052385e7ba593 [0,1,1,0,0,0|0,0,2]=4 745 B9R0.46 CC(C=O)NCCCCS 7d52d0d2462682eef85c367a61b7f060 [0,1,1,0,0,0|0,1,1]=4 746 B9R0.46 CC(C=O)OC/C=C/C=O f910a75b39d29451b58b645fb543947e [0,1,1,0,0,0|0,0,2]=4 747 B9R0.46 CC(C=O)OCCCC#N 82cebbdf9b73111ca4aa4ed43d44bada [0,1,1,0,0,0|1,0,1]=4 748 B9R0.46 CC(C=O)OCCCC=O d633d3435ea5f9bb7489126b53fd169c [0,1,1,0,0,0|0,0,0]=2 749 B9R0.46 CC(C=O)OCCCCF b779475fea9936c9a40116733fadd837 [0,1,1,0,0,0|1,0,1]=4 750 B9R0.46 CC(C=O)OCCCCS ee511cea976ef5b499265a61524eedbd [0,1,1,0,0,0|0,1,1]=4 751 B9R0.46 CC(C=O)OCCNC=O 570d1e225a9c105bc7c6d9c9bd504a1e [0,1,1,0,0,0|1,0,0]=3 752 B9R0.46 CC(C=O)OCCOC=O df0f8585c5aaf5ac01759a30e8bf9781 [0,1,1,0,0,0|1,0,0]=3 753 B9R0.46 CC(CF)OCCCC=O 62afa987f228ca725705744b4bb44d2e [0,1,1,0,0,0|1,0,1]=4 754 B9R0.46 CC(CO)CCCNC=O 2da4c407608a3357ec193b0031a8c7cf [0,1,1,0,0,0|0,0,2]=4 755 B9R0.46 CC(CO)CCNCC=O f81509e853ced68a1db26871973b826a [0,1,1,0,0,0|0,0,2]=4 756 B9R0.46 CC(CO)CNCCC=O 85b41041e2d8fa633e0ab0a6be7a3fa0 [0,1,1,0,0,0|0,0,2]=4 757 B9R0.46 CC(CO)NCCCC=O 2ff549803205bf2e5767b6eb5ecad836 [0,1,1,0,0,0|0,0,2]=4 758 B9R0.46 CC(CS)OCCCC=O 6cc5334f315ad6dccb161036aee6dfb0 [0,1,1,0,0,0|0,1,1]=4 759 B9R0.46 CCC(C)CCNCC=O a6e7e31b7174e33afbb2e49091f71799 [0,1,1,0,0,0|1,0,1]=4 760 B9R0.46 CCC(C)CCOCC=O ffa804ef82eba2baed5b236b8174cc5b [0,1,1,0,0,0|1,0,1]=4 761 B9R0.46 CCC(C)CNCCC=O d1c23829c335ff019dcbfacafd5d0460 [0,1,1,0,0,0|1,0,1]=4 762 B9R0.46 CCC(C)COCCC=O 2d73e4df98095e84f26e8630b8c1ab90 [0,1,1,0,0,0|1,0,1]=4 763 B9R0.46 CCC(C)NCCCC=O ed3b198797f9907d63520eb2a7b47340 [0,1,1,0,0,0|1,0,1]=4 764 B9R0.46 CCC(C)OCCCC=O 490e4bd62c6c0bc054893d7857d462c9 [0,1,1,0,0,0|1,0,1]=4 765 B9R0.46 CCCCCCN(C)C=O bb80d4044c0f59026002adf38475cf21 [0,1,1,0,0,0|2,0,0]=4 766 B9R0.46 CCCCCNC(=O)C=O f4e49d97916bc3a259206e9c19346054 [0,1,1,0,0,0|0,0,0]=2 767 B9R0.46 CCCCCNC(=O)CC 849a8920618781fdb82a0336e223971a [0,1,1,0,0,0|1,0,1]=4 768 B9R0.46 CCCCCNC(=O)CF a05eb2568b07d5cb7d8de0ce30087de3 [0,1,1,0,0,0|1,0,1]=4 769 B9R0.46 CCCCCNC(=O)CO ec7a3042859a9f12ba052c0da8e4a7aa [0,1,1,0,0,0|0,0,2]=4 770 B9R0.46 CCCCCNC(=O)CS 03156480cccef12f02d921dd33cd4590 [0,1,1,0,0,0|0,1,1]=4 771 B9R0.46 CCCCCNC(C)C=O a1e76f644541968a2425e9e5ecba0c50 [0,1,1,0,0,0|1,0,1]=4 772 B9R0.46 CCCCCN[C@H](C)C=O f165fdff1e1cb70bd9666da848ba80ab [0,1,1,0,0,0|1,0,1]=4 773 B9R0.46 CCCCCOC(C)C=O e16af054a8530937c558322756befd3b [0,1,1,0,0,0|1,0,1]=4 774 B9R0.46 CCCCCO[C@H](C)C=O a119465539c723056c69d3cef66a5d39 [0,1,1,0,0,0|1,0,1]=4 775 B9R0.46 CCCCNC/C(=C/Cl)/Cl 0d680ba256822cfdaae23913bca8ee4c [0,1,1,0,0,0|2,0,0]=4 776 B9R0.46 CCCCNCC(=O)CC b2e0d743393b788f6d80972415374097 [0,1,1,0,0,0|1,0,1]=4 777 B9R0.46 CCCCNCC(=O)CO 849bb04887baec980d5ebdd3d5bc69d7 [0,1,1,0,0,0|0,0,2]=4 778 B9R0.46 CCCCNCC(=O)NC 1e17cf9400576df78ba3d0bbd5e004b2 [0,1,1,0,0,0|2,0,0]=4 779 B9R0.46 CCCCNCC(=O)NO 967297a833a30ade90d2c8a822ad4789 [0,1,1,0,0,0|1,0,1]=4 780 B9R0.46 CCCCNCC(=O)OC 90edefb6d3a3ca213013f1f09af4da63 [0,1,1,0,0,0|2,0,0]=4 781 B9R0.46 CCCCOC/C(=C/Cl)/Cl 1cf0ffa034e56f45def6de04f86cf1ce [0,1,1,0,0,0|2,0,0]=4 782 B9R0.46 CCCCOC/C(=C/I)/C 134f408ad86b4fa216de6242485f53ce [0,1,1,0,0,0|2,0,0]=4 783 B9R0.46 CCCCOCC(=CI)C 92bbc597016e9492eb2cbf4ef70e5f3e [0,1,1,0,0,0|2,0,0]=4 784 B9R0.46 CCCCOCC(=O)CC 389316566cd1a1fc2f85978e15274242 [0,1,1,0,0,0|1,0,1]=4 785 B9R0.46 CCCCOCC(=O)NC cf030b05ed543e346a9154767a28bae4 [0,1,1,0,0,0|2,0,0]=4 786 B9R0.46 CCCCOCC(=O)OC 3a258f28efc16859d84bb30eb200cc4d [0,1,1,0,0,0|2,0,0]=4 787 B9R0.46 CCCNCCC(=O)NC 15c9bd5d976b45d01c0fa363e53c356e [0,1,1,0,0,0|2,0,0]=4 788 B9R0.46 CCCNCCC(=O)NO 87fbbffe3fecd81db10ce5cd573c8fee [0,1,1,0,0,0|1,0,1]=4 789 B9R0.46 CCCNCCC(=O)OC 05bc030a2f2408fd65b5ffca8abeab98 [0,1,1,0,0,0|2,0,0]=4 790 B9R0.46 CCCOCCC(=O)NC 08e49cdbe7f26a9ed53ba2c0be49d187 [0,1,1,0,0,0|2,0,0]=4 791 B9R0.46 CCCOCCC(=O)OC 630bff407b7c5972cdb6361bdad86547 [0,1,1,0,0,0|2,0,0]=4 792 B9R0.46 CCCOCCN(C)C=O 1992e4eb6f9e42487b54ea3b9d8f7b64 [0,1,1,0,0,0|2,0,0]=4 793 B9R0.46 CCNCCCC(=O)OC 8791db4546254853c1d2c8daf04e29f1 [0,1,1,0,0,0|2,0,0]=4 794 B9R0.46 CCOCCCC(=O)NC 8b277ae760d242e65f64127caa0bf565 [0,1,1,0,0,0|2,0,0]=4 795 B9R0.46 CCOCCNC(=O)C=O 966071d4cf498dd5a511ec54d32c5f46 [0,1,1,0,0,0|1,0,0]=3 796 B9R0.46 CCSCCNC(=O)C=O 3415b748537b6650cc2320e075e8660e [0,1,1,0,0,0|1,0,0]=3 797 B9R0.46 CC[C@@H](C)COCCC=O 73ea6284a99d686bca8912bc4d397db8 [0,1,1,0,0,0|1,0,1]=4 798 B9R0.46 CC[C@@H](C)NCCCC=O e1be8b6d98f789c65613c869a985540c [0,1,1,0,0,0|1,0,1]=4 799 B9R0.46 CC[C@@H](C)OCCCC=O affc126d70813ac032232a3d21f0923c [0,1,1,0,0,0|1,0,1]=4 800 B9R0.46 CC[C@H](C)CCOCC=O 80dda8846c63ca08a849cc59acf34bed [0,1,1,0,0,0|1,0,1]=4 801 B9R0.46 CC[C@H](C)CNCCC=O e358f485d099c641cfa1fcd506941f98 [0,1,1,0,0,0|1,0,1]=4 802 B9R0.46 CC[C@H](C)COCCC=O 02998a6cb7d56226c823a7da35ede65f [0,1,1,0,0,0|1,0,1]=4 803 B9R0.46 CC[C@H](C)NCCCC=O 27877691633ef91afbfdce76ea02c29f [0,1,1,0,0,0|1,0,1]=4 804 B9R0.46 CC[C@H](C)OCCCC=O 0bd2ba4d0329602504b9b03e6e85ee4b [0,1,1,0,0,0|1,0,1]=4 805 B9R0.46 CN(C=O)CCCCCO c53771f4b7aac7f2d7cf4ff756dc1493 [0,1,1,0,0,0|2,0,0]=4 806 B9R0.46 CN(C=O)CCOCC=O 3f5cce65311d471d8705911fd40a00b6 [0,1,1,0,0,0|1,0,0]=3 807 B9R0.46 COC(C)CCOCC=O 0b0c48ce86b0d4306b127755a8a5c6f8 [0,1,1,0,0,0|2,0,0]=4 808 B9R0.46 COC(C)COCCC=O 1c36be6f84a622a44fb09ef73d1e8b0b [0,1,1,0,0,0|2,0,0]=4 809 B9R0.46 COCCCCN(C)C=O c4af9136179b3511052f27a49eec2e11 [0,1,1,0,0,0|2,0,0]=4 810 B9R0.46 COCCCNC(=O)C=O 290a8c213bc9c4ea2729eb9887e718d1 [0,1,1,0,0,0|1,0,0]=3 811 B9R0.46 COCCCNC(C)C=O d0b57509a08585728203c70aacad460e [0,1,1,0,0,0|2,0,0]=4 812 B9R0.46 COCCCN[C@H](C)C=O f09d9480a60b0665d83e9a9347e5a5da [0,1,1,0,0,0|2,0,0]=4 813 B9R0.46 COCCCOC(C)C=O 9a5f6e6c676de8d2d1f397929db56613 [0,1,1,0,0,0|2,0,0]=4 814 B9R0.46 COCCCO[C@H](C)C=O d25ebb3e6fd7ff8cf98932d3166da8ba [0,1,1,0,0,0|2,0,0]=4 815 B9R0.46 CO[C@@H](C)CNCCC=O d42d6f1bdf5c47bd7bf630f292bb9b89 [0,1,1,0,0,0|2,0,0]=4 816 B9R0.46 CO[C@@H](C)COCCC=O 2d8c32f25fa94583e225dee2b9906562 [0,1,1,0,0,0|2,0,0]=4 817 B9R0.46 CO[C@H](C)CNCCC=O 3bcce37fdb9b08a0f72bbf2efda5f9ee [0,1,1,0,0,0|2,0,0]=4 818 B9R0.46 CO[C@H](C)COCCC=O db37f78f0a842b040b6f83c3ddcdcebc [0,1,1,0,0,0|2,0,0]=4 819 B9R0.46 CSCCCNC(=O)C=O 28d590702e0165389862aff03ca57c7e [0,1,1,0,0,0|1,0,0]=3 820 B9R0.46 CSCCCNC(C)C=O 76f568b0480b2d9069e3a33a7387861a [0,1,1,0,0,0|2,0,0]=4 821 B9R0.46 CSCCCN[C@H](C)C=O b9b57ee4edd5974d5a56a770a1225d56 [0,1,1,0,0,0|2,0,0]=4 822 B9R0.46 CSCCCOC(C)C=O 85ce6f2df0bf4eb3046e0837d7f2a789 [0,1,1,0,0,0|2,0,0]=4 823 B9R0.46 CSCCCO[C@H](C)C=O ac3078874cb1236d51f37e300aadddf1 [0,1,1,0,0,0|2,0,0]=4 824 B9R0.46 C[C@@H](CO)CCNCC=O a4e4182d6caae77f60047b228eea3c9e [0,1,1,0,0,0|0,0,2]=4 825 B9R0.46 C[C@@H](CO)NCCCC=O 32999263e3d3a4c5346151fa32e8decd [0,1,1,0,0,0|0,0,2]=4 826 B9R0.46 C[C@H](C=O)NCCCC#N a62cdeee276fc9b45a8a6c0794bea7a7 [0,1,1,0,0,0|1,0,1]=4 827 B9R0.46 C[C@H](C=O)NCCCCCl e6c8baff8c1d12bdc1a6f40a2a3826b8 [0,1,1,0,0,0|1,0,1]=4 828 B9R0.46 C[C@H](C=O)NCCCCO eb09c7f19ebf18215ec378c737164712 [0,1,1,0,0,0|0,0,2]=4 829 B9R0.46 C[C@H](C=O)NCCCCS 87575fcf87743d54375253c008709169 [0,1,1,0,0,0|0,1,1]=4 830 B9R0.46 C[C@H](C=O)OC/C=C/C=O 63619737e028b366f19c909fc0f52b40 [0,1,1,0,0,0|0,0,2]=4 831 B9R0.46 C[C@H](C=O)OCCCC#N 1ae83477ec8e3feb339ce59105922150 [0,1,1,0,0,0|1,0,1]=4 832 B9R0.46 C[C@H](C=O)OCCCC=O 112281841a29386b55fa57fda49059d9 [0,1,1,0,0,0|0,0,0]=2 833 B9R0.46 C[C@H](C=O)OCCCCF f7bf3d2a1c35392a291f6751000fb4da [0,1,1,0,0,0|1,0,1]=4 834 B9R0.46 C[C@H](C=O)OCCCCS 5d26a25ff8edfe0f5f9804badd01e01e [0,1,1,0,0,0|0,1,1]=4 835 B9R0.46 C[C@H](C=O)OCCNC=O 677429e6dcf3d87d65cd19982b322e2a [0,1,1,0,0,0|1,0,0]=3 836 B9R0.46 C[C@H](C=O)OCCOC=O 97abaacfd3b002050536b4330ed8028c [0,1,1,0,0,0|1,0,0]=3 837 B9R0.46 C[C@H](CO)CNCCC=O c835017ff9056078e703d1da50ffe107 [0,1,1,0,0,0|0,0,2]=4 838 B9R0.46 C[C@H](CO)NCCCC=O a5dd3b34cfb9d476a44ac4ee4e2c185d [0,1,1,0,0,0|0,0,2]=4 839 B9R0.46 C[C@H](CS)OCCCC=O d09a6f242723d9211fa1abbf74bce5bb [0,1,1,0,0,0|0,1,1]=4 840 B9R0.46 N#CCCCNC(=O)C=O 9b0d18c53fea8c8df177b503e88e3464 [0,1,1,0,0,0|1,0,1]=4 841 B9R0.46 O=CC(=O)NCCCCCl 2c631277b132dc9b6613657e3eccfe36 [0,1,1,0,0,0|1,0,0]=3 842 B9R0.46 O=CC(=O)NCCCCO 5fd0c54a12d8e68e68b582ab82f25438 [0,1,1,0,0,0|1,0,0]=3 843 B9R0.46 O=CC(=O)NCCCCS 8f6bba6de16ad95183bd9d73abba60eb [0,1,1,0,0,0|1,0,0]=3 844 B9R0.47 C=C(Br)C(=O)NCCCC a63699a68aa22227103f5d8e65213d42 [0,1,1,0,0,0|2,0,0]=4 845 B9R0.47 C=C(C)C(=O)NCCCC 9633bcca99f1bcc8d8b16f91ececec4f [0,1,1,0,0,0|2,0,0]=4 846 B9R0.47 C=C(CNCCC)C(=O)O cc82fa0972a2a8db8be4ec490c803358 [0,1,1,0,0,0|2,0,0]=4 847 B9R0.47 C=C(COCCC)C(=O)O 6349e1fecc0027622ab4063869db7ad1 [0,1,1,0,0,0|2,0,0]=4 848 B9R0.47 C=C(Cl)C(=O)NCCCC df2fd604f008e64fca1a4ccf36dda2cb [0,1,1,0,0,0|2,0,0]=4 849 B9R0.47 C=C(F)C(=O)NCCCC 68a3dfc300c4b4a8a941583a9530da97 [0,1,1,0,0,0|2,0,0]=4 850 B9R0.47 C=CCCCN(C)C(=O)C 8cdba7fc415cdcfc639a7246093b1b99 [0,1,1,0,0,0|2,0,0]=4 851 B9R0.47 C=CCCNC(C)C(=O)C 3e4eac1536a448085cb2069f36698707 [0,1,1,0,0,0|2,0,0]=4 852 B9R0.47 C=CCCNC(C)C(=O)N d7b0a0ce1a276a7c5c3a60bdd1529c29 [0,1,1,0,0,0|2,0,0]=4 853 B9R0.47 C=CCCNC(C)C(=O)O 26a70bb4d2f33579271331ae009f6a81 [0,1,1,0,0,0|2,0,0]=4 854 B9R0.47 C=CCCN[C@@H](C)C(=O)N cd2eac92d0527fb2fbd416c00e01290e [0,1,1,0,0,0|2,0,0]=4 855 B9R0.47 C=CCCN[C@@H](C)C(=O)O 044ba7ce2fb9fbcf7092137b59af1cf0 [0,1,1,0,0,0|2,0,0]=4 856 B9R0.47 C=CCCN[C@H](C)C(=O)N 83eacac6835dc7a9e3be20c3c53d4013 [0,1,1,0,0,0|2,0,0]=4 857 B9R0.47 C=CCCN[C@H](C)C(=O)O e1f2570210ff080b19e47098f3e700d1 [0,1,1,0,0,0|2,0,0]=4 858 B9R0.47 C=CCCOC(C)C(=O)C a6fb25b2aa243624e8ae58accfb0aacf [0,1,1,0,0,0|2,0,0]=4 859 B9R0.47 C=CCCOC(C)C(=O)N 72e678a763965e22f6edd3b391a0926c [0,1,1,0,0,0|2,0,0]=4 860 B9R0.47 C=CCCOC(C)C(=O)O 57cdb48a5adbb16866e6a82a9c1bb90e [0,1,1,0,0,0|2,0,0]=4 861 B9R0.47 C=CCCO[C@@H](C)C(=O)N e458c56a276f892528e2f529788d0565 [0,1,1,0,0,0|2,0,0]=4 862 B9R0.47 C=CCCO[C@@H](C)C(=O)O b82b39af7ffc1e7e2e0d24264d4e2374 [0,1,1,0,0,0|2,0,0]=4 863 B9R0.47 C=CCCO[C@H](C)C(=O)N a69ee34f70c1dea06ffe7c6450630412 [0,1,1,0,0,0|2,0,0]=4 864 B9R0.47 C=CCCO[C@H](C)C(=O)O 880f91efa72b41348d06c5dfb14bde1f [0,1,1,0,0,0|2,0,0]=4 865 B9R0.47 C=CCNCC(C)C(=O)O 84492b534636ae050906a3c2f79aecde [0,1,1,0,0,0|2,0,0]=4 866 B9R0.47 C=CCNC[C@@H](C)C(=O)O 96ca9646b5f126126b51aa9d04bea846 [0,1,1,0,0,0|2,0,0]=4 867 B9R0.47 C=CCNC[C@H](C)C(=O)O 8893f7663122e8c8db2ad1594660c127 [0,1,1,0,0,0|2,0,0]=4 868 B9R0.47 C=CCOCC(C)C(=O)C 68b4b0c139f2d8f46d91606b130d7b4f [0,1,1,0,0,0|2,0,0]=4 869 B9R0.47 C=CCOCC(C)C(=O)O bff45a2935ad0970b2a16430db69c0a5 [0,1,1,0,0,0|2,0,0]=4 870 B9R0.47 C=CCOC[C@@H](C)C(=O)O 420778358ae53f0e37997308c9dff5bb [0,1,1,0,0,0|2,0,0]=4 871 B9R0.47 C=CCOC[C@H](C)C(=O)O 95baadb47b38b50d45cb9d4e989165fc [0,1,1,0,0,0|2,0,0]=4 872 B9R0.47 CC(=O)C(=O)CNCCBr 1d114d2c3229e5b561cf3a692b590852 [0,1,1,0,0,0|2,0,0]=4 873 B9R0.47 CC(=O)C(=O)CNCCF b5c5172bd20b88a08dc77f81006d13f8 [0,1,1,0,0,0|2,0,0]=4 874 B9R0.47 CC(=O)C(=O)CNCCI 541de3fbaad1da9fec6fbd5095630a6a [0,1,1,0,0,0|2,0,0]=4 875 B9R0.47 CC(=O)C(=O)CNCCO 2d16b85b7fabe2e3b215c005f728463d [0,1,1,0,0,0|2,0,0]=4 876 B9R0.47 CC(=O)C(=O)CNCCS 87b42f265888e8df4a9ea1dbbef125d7 [0,1,1,0,0,0|2,0,0]=4 877 B9R0.47 CC(=O)C(=O)COCCF 378c06b0db0803ebcd6c97d1b308e70a [0,1,1,0,0,0|2,0,0]=4 878 B9R0.47 CC(=O)C(=O)COCCS 97aafe4148347becc65789acfd98e2d3 [0,1,1,0,0,0|2,0,0]=4 879 B9R0.47 CC(=O)C(=O)NCCCCl 1f11616c914494eaff8a5c5e77f3591e [0,1,1,0,0,0|2,0,0]=4 880 B9R0.47 CC(=O)C(=O)NCCCO 07a7bb6909cab345c32ae2fba7f9de80 [0,1,1,0,0,0|2,0,0]=4 881 B9R0.47 CC(=O)C(C)COCC=O d54d440898f4bb5a1ba49bf3923c568b [0,1,1,0,0,0|1,0,0]=3 882 B9R0.47 CC(=O)C(C)OCCC=O c4c6596677726b85cf0e89845c13c144 [0,1,1,0,0,0|1,0,0]=3 883 B9R0.47 CC(CNCC=O)C(=O)O dac1078447c82894577f75973cfad279 [0,1,1,0,0,0|1,0,0]=3 884 B9R0.47 CC(COCC=O)C(=O)O 7fbd7b6d90109bc51c632e75ba7efddb [0,1,1,0,0,0|1,0,0]=3 885 B9R0.47 CC(COCC=O)[N+](=O)[O-] 21212a2d111157fedea6e145499dad61 [0,1,1,0,0,0|2,0,0]=4 886 B9R0.47 CC(NCCC=O)C(=O)N d359c54582ad8b1b86e63175f152882f [0,1,1,0,0,0|1,0,0]=3 887 B9R0.47 CC(NCCC=O)C(=O)O 9032b6ae341ecc05ab9895d4e328be23 [0,1,1,0,0,0|1,0,0]=3 888 B9R0.47 CC(OCCC=O)C(=O)N 5332efa9f0379ba279f2128ef73d42e8 [0,1,1,0,0,0|1,0,0]=3 889 B9R0.47 CC(OCCC=O)C(=O)O fafa8fe4978583817caa63220fee9dd0 [0,1,1,0,0,0|1,0,0]=3 890 B9R0.47 CCCCCN(C)C(=O)C 2c74dcf8a8d2f2ed76b3ed946ed64f15 [0,1,1,0,0,0|2,0,0]=4 891 B9R0.47 CCCCNC(=O)C(=O)C e2af56b2a4daa16b7084e7fa0ba1fc1b [0,1,1,0,0,0|1,0,0]=3 892 B9R0.47 CCCCNC(=O)C(=O)N b915f31213bcde5e67bb9bcc60169849 [0,1,1,0,0,0|1,0,0]=3 893 B9R0.47 CCCNCC(=O)C(=O)C 7ba1a39130517d9740af6669e15ee16e [0,1,1,0,0,0|1,0,0]=3 894 B9R0.47 CCCNCC(=O)C(=O)O 4e1ace0c3acec461be076667f808e14c [0,1,1,0,0,0|1,0,0]=3 895 B9R0.47 CCCOCC(=O)C(=O)C ab7906fc53dd4771247d3e1650b32b1f [0,1,1,0,0,0|1,0,0]=3 896 B9R0.47 CCCOCC(=O)C(=O)O 3444cb5fc32d35bbafaf1d62d3b1c125 [0,1,1,0,0,0|1,0,0]=3 897 B9R0.47 COCCNC(=O)C(=O)C f846514379f6b702aa68a0ceacb0fbaf [0,1,1,0,0,0|2,0,0]=4 898 B9R0.47 COCCNC(=O)C(=O)N 02ea1879b5090eba3eb98153a8a0bab1 [0,1,1,0,0,0|2,0,0]=4 899 B9R0.47 COCOCC(=O)C(=O)C 6fb590035196a179937faad388dc9d16 [0,1,1,0,0,0|2,0,0]=4 900 B9R0.47 COCOCC(=O)C(=O)O a42fc4526b86b815783bc412827ed67f [0,1,1,0,0,0|2,0,0]=4 901 B9R0.47 CSCCNC(=O)C(=O)C 2bbabd291a0fdfcfdf5281a9d3814734 [0,1,1,0,0,0|2,0,0]=4 902 B9R0.47 CSCCNC(=O)C(=O)N 26a21f63aa2ab3367d77d9f5bd3605aa [0,1,1,0,0,0|2,0,0]=4 903 B9R0.47 C[C@@H](CNCC=O)C(=O)O e33654e8187b4ae8c324725881dce1c7 [0,1,1,0,0,0|1,0,0]=3 904 B9R0.47 C[C@@H](COCC=O)C(=O)O 1d4ab92eb66f81b2707c37ddbb75112f [0,1,1,0,0,0|1,0,0]=3 905 B9R0.47 C[C@@H](NCCC=O)C(=O)N 88d175926d145cf4f7aeb262603319cf [0,1,1,0,0,0|1,0,0]=3 906 B9R0.47 C[C@@H](NCCC=O)C(=O)O 3ea3bd5fc346f6142e2da74891d56706 [0,1,1,0,0,0|1,0,0]=3 907 B9R0.47 C[C@@H](OCCC=O)C(=O)N c6eaad34233e4e6a272de347bd83976e [0,1,1,0,0,0|1,0,0]=3 908 B9R0.47 C[C@@H](OCCC=O)C(=O)O 7d9692e827fc76ead2734fd35af8b1bf [0,1,1,0,0,0|1,0,0]=3 909 B9R0.47 C[C@H](CNCC=O)C(=O)O 554921e31b1acc8c59730b9fdc0f5b4c [0,1,1,0,0,0|1,0,0]=3 910 B9R0.47 C[C@H](COCC=O)C(=O)O eccd5f9a3d30ec5d0288d5705997f9dc [0,1,1,0,0,0|1,0,0]=3 911 B9R0.47 C[C@H](NCCC=O)C(=O)N a01df9abb02a4ad1f8b5578566737e0e [0,1,1,0,0,0|1,0,0]=3 912 B9R0.47 C[C@H](NCCC=O)C(=O)O 65f084f1001e100255a73258e44616cc [0,1,1,0,0,0|1,0,0]=3 913 B9R0.47 C[C@H](OCCC=O)C(=O)N 204c83ab0197ff6420b915570938b636 [0,1,1,0,0,0|1,0,0]=3 914 B9R0.47 C[C@H](OCCC=O)C(=O)O 17a38e6749eb2ce6ebbf5c57cc327ebd [0,1,1,0,0,0|1,0,0]=3 915 B9R0.47 NC(=O)C(=O)NCCCCl 29267aec42cdc8865e1439c335efa388 [0,1,1,0,0,0|2,0,0]=4 916 B9R0.47 NC(=O)C(=O)NCCCO e5205e423f2535c87aaf80b677641fbd [0,1,1,0,0,0|2,0,0]=4 917 B9R0.47 NC(=O)C(F)OCCC=O 568b52ba269065025614f11a7c47c5fb [0,1,1,0,0,0|2,0,0]=4 918 B9R0.47 O=C(O)C(=O)CNCCBr f6651853e52af775211a93fc42b73664 [0,1,1,0,0,0|2,0,0]=4 919 B9R0.47 O=C(O)C(=O)CNCCF a5eef4c013481978b3e177e7376126bb [0,1,1,0,0,0|2,0,0]=4 920 B9R0.47 O=C(O)C(=O)CNCCI c428e759e713f445f24952fbd8bf0823 [0,1,1,0,0,0|2,0,0]=4 921 B9R0.47 O=C(O)C(=O)CNCCO fd1bcde29292cc872de9cc5361703dcf [0,1,1,0,0,0|2,0,0]=4 922 B9R0.47 O=C(O)C(=O)CNCCS b31fbb8366edfe8e4009c3f2bb659eed [0,1,1,0,0,0|2,0,0]=4 923 B9R0.47 O=C(O)C(=O)COCCS 217dd678c30b71c11c4400350b430f7f [0,1,1,0,0,0|2,0,0]=4 924 B9R0.47 O=CCCNC(O)C(=O)O 4e588261d8c718aec57a1325859dcc05 [0,1,1,0,0,0|2,0,0]=4 925 B9R0.47 O=CCNCC(F)C(=O)O 3f0bf8fcf5035a43a4afc58572288589 [0,1,1,0,0,0|2,0,0]=4 926 B9R0.47 O=CCNCC(O)C(=O)O 6d274d8b5f82feb8a38e2005a642350d [0,1,1,0,0,0|2,0,0]=4 927 B9R0.47 O=CCNC[C@@H](O)C(=O)O 927801bc9fed5ca554f9ee4c79b9bd46 [0,1,1,0,0,0|2,0,0]=4 928 B9R0.47 O=CCNC[C@H](O)C(=O)O c9237b4f784ae2a0bbd471ccfc266b51 [0,1,1,0,0,0|2,0,0]=4 929 B9R0.50 C=CC(CC)OCCC=O 245b52fb9da0542a99dcde22cfc8baa1 [0,1,1,0,0,0|2,0,0]=4 930 B9R0.50 C=CCCNC(C=O)CC 88fb7fc74d4ffa1dd95483cbe964fddc [0,1,1,0,0,0|2,0,0]=4 931 B9R0.50 C=CCCOC(C=O)CC bb56ab03b94fb70c2ef5fecf3acee9ba [0,1,1,0,0,0|2,0,0]=4 932 B9R0.50 C=C[C@@H](CO)NCCC=O ac3858809024734f2ed0c7359e4c27ee [0,1,1,0,0,0|2,0,0]=4 933 B9R0.50 CCC(C=O)OCCC=O 0d40cbc122613e23525f77d36df3c914 [0,1,1,0,0,0|1,0,0]=3 934 B9R0.50 CCCCNC(C=O)C=O 63540bca94a0be06aa8526b5a5000aa6 [0,1,1,0,0,0|1,0,1]=4 935 B9R0.50 CCCCOC(C=O)C=O 71af65ac7e054dcce5db17c58539e1ee [0,1,1,0,0,0|1,0,1]=4 936 B9R0.50 O=CCCOC(C=O)C=O afdd3310da09887819d4161e40699baf [0,1,1,0,0,0|1,0,1]=4 937 B9R1.2 CC1CCCN(C1)C=O 5a06aa6b42e18f18aee9823269dae409 [1,1,0,0,0,0|1,0,1]=4 938 B9R1.2 CCN1CCCC(=O)C1 b0afeee675d5ec52ec51d9d2cdcf36a5 [1,1,0,0,0,0|1,0,1]=4 939 B9R1.2 C[C@@H]1CCCN(C1)C=O b5e680c9235a8f69b3718f41b577e428 [1,1,0,0,0,0|1,0,1]=4 940 B9R1.2 C[C@H]1CCCN(C1)C=O 4dab749a75683c45748ebdcac3ae2c8b [1,1,0,0,0,0|1,0,1]=4 941 B9R1.2 O=C1CCCN(C1)CF 4a3aadad28924fa951595c84af73b014 [1,1,0,0,0,0|1,0,1]=4 942 B9R1.2 O=C1CCCN(C1)CO 6d0678682a57a081022f992f70f98004 [1,1,0,0,0,0|1,0,1]=4 943 B9R1.15 CC1CCCCN1C=O 5edffbe7b981e62d376cf463cc81b5a0 [1,1,0,0,0,0|1,0,1]=4 944 B9R1.15 C[C@@H]1CCCCN1C=O a3eec1c9235da9d654fdc4f1cd619716 [1,1,0,0,0,0|1,0,1]=4 945 B9R1.15 C[C@H]1CCCCN1C=O ca092eb4253ff1332fa8641d72ce7d5e [1,1,0,0,0,0|1,0,1]=4 946 B11R1.384 CN1CCCN(CC1=O)C=O 5a019e25948519c05c8bb1db466f8919 [0,1,0,0,0,1|2,0,0]=4 947 B11R1.13 CCNC1CCCN(C1=O)C ccd4f9fb53da2e6269db4a190a842de6 [0,2,0,0,0,0|2,0,0]=4 948 B11R1.13 CCN[C@@H]1CCCN(C1=O)C c84a245eb1ff6af1affc242e83079afc [0,2,0,0,0,0|2,0,0]=4 949 B11R1.13 CCN[C@H]1CCCN(C1=O)C 4c86c381e77047a06ab28b717a3492ec [0,2,0,0,0,0|2,0,0]=4 950 B11R1.13 CCOC1=C(C(=O)CCC1)Cl 5625c8c1392b8113c645b41d1e5d2c60 [0,2,0,0,0,0|1,0,1]=4 951 B11R1.13 CCOC1=C(C(=O)CCC1)I 48d1eead44a904f96a6068b00d108855 [0,2,0,0,0,0|1,0,1]=4 952 B11R1.13 CN1CCCC(C1=O)NCF f3211b45bb142ede2d5169f65d41a946 [0,2,0,0,0,0|2,0,0]=4 953 B11R1.13 CN1CCCC(C1=O)NCO 258d963eb0c2839f47e4c85a48538c75 [0,2,0,0,0,0|2,0,0]=4 954 B11R1.13 CN1CCC[C@@H](C1=O)NCF 906840f7eadbfcf197467e1508bfc86d [0,2,0,0,0,0|2,0,0]=4 955 B11R1.13 CN1CCC[C@@H](C1=O)NCO 837c4c044cb6383d73badfe3b253a269 [0,2,0,0,0,0|2,0,0]=4 956 B11R1.13 CN1CCC[C@H](C1=O)NCF 7ce2e35423210f537a8723372cabd4a7 [0,2,0,0,0,0|2,0,0]=4 957 B11R1.13 CN1CCC[C@H](C1=O)NCO 3f17786ee6edcaf23b6ff5cffedb069e [0,2,0,0,0,0|2,0,0]=4 958 B11R1.13 O=C1CCCC(=C1Cl)OCF 06656518b71595554df5c4e2fcbd67a2 [0,2,0,0,0,0|1,0,1]=4 959 B11R1.13 O=C1CCCC(=C1I)OCF 45f91a4ead369486406bdb85f799c2eb [0,2,0,0,0,0|1,0,1]=4 960 B9R1.41 CC(=O)N1CCCC1C f3ed72e102a18b3ca7365fff10aeb6f8 [0,0,1,1,0,0|2,0,0]=4 961 B9R1.41 CC(=O)N1CCC[C@@H]1C 45c9778b44581f9933633398df3c02d2 [0,0,1,1,0,0|2,0,0]=4 962 B9R1.41 CC(=O)N1CCC[C@H]1C 77e41bde24aa3c51a340cfebe6f455b1 [0,0,1,1,0,0|2,0,0]=4 963 B9R1.96 CCC1CCN1C(=O)C f8a8c2660e185a53a38bd009b5fd9a1e [0,0,1,1,0,0|2,0,0]=4 964 B9R1.101 CCC(=O)N(C)C1CC1 4ece58f79bc14395a841bae67334e13b [0,0,1,1,0,0|2,0,0]=4 965 B9R1.110 C=C(C)C(=O)N1CCC1 227bbdfdec6432a916fba8f13b2aff4a [0,0,1,1,0,0|2,0,0]=4 966 B9R1.110 CC(=O)C(=O)N1CCC1 662b3c75fc1a1268e8773cb4c5de0ecc [0,0,1,1,0,0|1,0,0]=3 967 B9R1.110 CC(=O)N(C)C1CCC1 a2c06594b7418a1a27e295f2f752df67 [0,0,1,1,0,0|2,0,0]=4 968 B9R1.110 NC(=O)C(=O)N1CCC1 fa83fbb69005a0c5560f014547aee20a [0,0,1,1,0,0|2,0,0]=4 969 B9R1.111 CC(=O)N(C)C1(CC1)C 909fc378e24ad2f8e2bdea930f458528 [0,0,1,1,0,0|2,0,0]=4 970 B9R1.185 CCC(=O)N1CC1(C)C 4c36646e748a5e93c74fddfbc10f7054 [0,0,1,1,0,0|2,0,0]=4 971 B9R1.11 O=CC(=O)N1CCSC1 02d916dd4e464b645172bc4a3b594cce [0,0,1,1,0,0|2,0,0]=4 972 B9R1.33 CCOC1=CCCC1=O 9fef6e163e059a9e927a72209e5c8e3f [0,0,1,1,0,0|2,0,0]=4 973 B9R1.73 CCCC(=O)N1CCC1 b9e876839971b187f661e113b9a53ca2 [0,0,1,1,0,0|2,0,0]=4 974 B9R1.82 O=CC(=O)N1CC(C1)F f26ec43ccd3d298e8a33883f1658ce25 [0,0,1,1,0,0|2,0,0]=4 975 B9R1.82 O=CC(=O)N1CC(C1)O 0b99c3fb4f08a3df0e55f13fcb2c048e [0,0,1,1,0,0|2,0,0]=4 976 B9R1.7 CCOC1C=CC(=O)C1 cf7dcc6d5bb52c2dbe964e53d7a14001 [0,0,1,1,0,0|2,0,0]=4 977 B9R1.7 CCO[C@H]1C=CC(=O)C1 b0e331b85aadab1f09429088fdf1cc58 [0,0,1,1,0,0|2,0,0]=4 978 B9R1.16 C=C1CC1COCC=O 7f6ec6e86d366d9e7d9e644038616b90 [0,0,1,1,0,0|2,0,0]=4 979 B9R1.21 C=CC1CCN(C1)C=O ae03312cd24b5a84053b721422fed410 [0,0,1,1,0,0|2,0,0]=4 980 B9R1.21 CCC1CCN(C1)C=O 511eb19254d8c6b5ffcb350a73123905 [0,0,1,1,0,0|2,0,0]=4 981 B9R1.58 CCCC1CN(C1)C=O 867bf4f5c760470bb9b1b8cee8c6b82b [0,0,1,1,0,0|2,0,0]=4 982 B9R1.78 C=CC(=O)NC1CC1C ac4ea5e99803f2642639241cf2296460 [0,0,1,1,0,0|2,0,0]=4 983 B9R1.78 CC1CC1NC(=O)C=O 11e45b3c0cb4be1c030cc515c6ac51d7 [0,0,1,1,0,0|1,0,0]=3 984 B9R1.78 O=CC(=O)N[C@@H]1C[C@H]1F 28bb9802f6d1910830ed1dc355247732 [0,0,1,1,0,0|2,0,0]=4 985 B9R1.78 O=CC(=O)N[C@H]1C[C@@H]1F 02fb21aabf31d0a486b5cc7c8970702b [0,0,1,1,0,0|2,0,0]=4 986 B9R1.78 O=CC(=O)N[C@H]1C[C@H]1F 62689a6a63c38a18f1b0f9ea9ceda62f [0,0,1,1,0,0|2,0,0]=4 987 B9R1.79 C=C(C=O)OC1CCC1 3ce60f8c8bdab9f4b265cf15cc89a954 [0,0,1,1,0,0|2,0,0]=4 988 B9R1.79 C=CC(=O)NC1CCC1 c318e34de80e137dfb71a9410142317d [0,0,1,1,0,0|2,0,0]=4 989 B9R1.79 CN(C=O)CC1CCC1 7067673fcd6b5e288a96434bde2c4213 [0,0,1,1,0,0|2,0,0]=4 990 B9R1.79 O=CC(=O)NC1CCC1 42e01e0dbbe276ce23cdaf55d5bdf28d [0,0,1,1,0,0|1,0,0]=3 991 B9R1.79 O=CC(=O)NC1COC1 4a01fcba87b795332c933b5c02dd00ec [0,0,1,1,0,0|2,0,0]=4 992 B9R1.80 C=C(C=O)OCC1CC1 19c54a69dca512d54cd8a6a00bb7ed8b [0,0,1,1,0,0|2,0,0]=4 993 B9R1.80 C=CC(=O)NCC1CC1 c82d60596d8326f64870dc97f1275895 [0,0,1,1,0,0|2,0,0]=4 994 B9R1.80 O=CC(=O)NCC1CC1 f85b85f0b158ad0ed7afad1789eae3f6 [0,0,1,1,0,0|1,0,0]=3 995 B9R1.89 O=CN1CCCCCC1 4a543573026aecbb7f088b43cea970d5 [0,0,1,1,0,0|2,0,0]=4 996 B9R0.42 C#CC(C)NC(=O)C(=O)C ad0b883f4f139a629302a5d13b6e2e76 [0,0,1,0,0,1|0,0,2]=4 997 B9R0.42 C#C[C@@H](C)NC(=O)C(=O)C 0a955f294c6de3f7cff02e2ef64cae45 [0,0,1,0,0,1|0,0,2]=4 998 B9R0.42 C#C[C@H](C)NC(=O)C(=O)C 6ca4ff7692da2ccf7d9dee0191bedfed [0,0,1,0,0,1|0,0,2]=4 999 B9R0.42 C=C(Br)C(=O)NC(C)CC 9b44d82e554cbc882cf1112ab4972150 [0,0,1,0,0,1|1,0,1]=4 1000 B9R0.42 C=C(Br)C(=O)N[C@@H](C)CC 3d8394265913907614cc2b3d14b33aab [0,0,1,0,0,1|1,0,1]=4 1001 B9R0.42 C=C(Br)C(=O)N[C@H](C)CC 02731b5c9f730f2a86cb82e6d0dda85e [0,0,1,0,0,1|1,0,1]=4 1002 B9R0.42 C=C(C)C(=O)NC(C)CC 44fd1d7c8b36a239f8cfcdc8fcc591f4 [0,0,1,0,0,1|1,0,0]=3 1003 B9R0.42 C=C(C)C(=O)NC(C)CO 1a6d85cbba61bbebc8e92fbc6151887f [0,0,1,0,0,1|2,0,0]=4 1004 B9R0.42 C=C(C)C(=O)N[C@@H](C)CC 1c7e9305db890c47924d3022381d76b6 [0,0,1,0,0,1|1,0,0]=3 1005 B9R0.42 C=C(C)C(=O)N[C@@H](C)CO 9d66ee277e8d279be01645fa33cee12b [0,0,1,0,0,1|2,0,0]=4 1006 B9R0.42 C=C(C)C(=O)N[C@H](C)CC 980daea2adc65e6baa814ee0a203ae85 [0,0,1,0,0,1|1,0,0]=3 1007 B9R0.42 C=C(C)C(=O)N[C@H](C)CO 47ad5bef6d51523401cec84d2b7bc4f4 [0,0,1,0,0,1|2,0,0]=4 1008 B9R0.42 C=C(Cl)C(=O)NC(C)CC cbafa3f01e475abb82bc42dc2cf9ba8d [0,0,1,0,0,1|1,0,1]=4 1009 B9R0.42 C=C(Cl)C(=O)N[C@@H](C)CC 669f4c29c8d65f2cb944a0f3270403a4 [0,0,1,0,0,1|1,0,1]=4 1010 B9R0.42 C=C(Cl)C(=O)N[C@H](C)CC 24d46e5981f6192afeca3dc7e93d57ff [0,0,1,0,0,1|1,0,1]=4 1011 B9R0.42 C=C(F)C(=O)NC(C)CC 27171180cd8f947549246960b67030c5 [0,0,1,0,0,1|1,0,1]=4 1012 B9R0.42 C=C(F)C(=O)N[C@@H](C)CC 619b462b2f5d259df70f53eabde4db19 [0,0,1,0,0,1|1,0,1]=4 1013 B9R0.42 C=C(F)C(=O)N[C@H](C)CC 1726b3e5baef99d81a3228e2d579878f [0,0,1,0,0,1|1,0,1]=4 1014 B9R0.42 C=CC(C)NC(=O)C(=O)C 818fec27ddefba04956db68480302e88 [0,0,1,0,0,1|0,0,2]=4 1015 B9R0.42 CC(=O)C(=O)NC(C)C#N 1e90611c42a7a83e90f5a584c513fd1c [0,0,1,0,0,1|1,0,1]=4 1016 B9R0.42 CC(=O)C(=O)NC(C)CO 5a5c39969f862d30f121c04111ebfa87 [0,0,1,0,0,1|1,0,0]=3 1017 B9R0.42 CC(=O)C(=O)N[C@@H](C)CO 9569a2680f767015fde6d0b0539cf153 [0,0,1,0,0,1|1,0,0]=3 1018 B9R0.42 CC(=O)C(=O)N[C@H](C)CO b5213d0d1c49ac7c2edcbf8d16dee1e3 [0,0,1,0,0,1|1,0,0]=3 1019 B9R0.42 CC(CO)NC(=O)C(=O)N 981419116bd330c4ca6478c64604cdd8 [0,0,1,0,0,1|2,0,0]=4 1020 B9R0.42 CCC(=O)CN(C)C(C)C 99daef966fceeed4a58cb23206d56767 [0,0,1,0,0,1|2,0,0]=4 1021 B9R0.42 CCC(=O)NC(C)C(C)C 90abb99ba41d057de5d9ee398dc22d45 [0,0,1,0,0,1|1,0,1]=4 1022 B9R0.42 CCC(=O)N[C@@H](C)C(C)C 151855739681a1cd1df07c6a683972f7 [0,0,1,0,0,1|1,0,1]=4 1023 B9R0.42 CCC(=O)N[C@H](C)C(C)C 7a02b90234d22e2dd127262c353645d7 [0,0,1,0,0,1|1,0,1]=4 1024 B9R0.42 CCC(C)NC(=O)C(=O)C b88dde23e48efe99aafeecc7cda67b85 [0,0,1,0,0,1|0,0,0]=2 1025 B9R0.42 CCC(C)NC(=O)C(=O)N ea46c26843a960839fd848eedcbbb779 [0,0,1,0,0,1|1,0,0]=3 1026 B9R0.42 CCC(C)NC(=O)C(C)F 8af1d49c697f0aced4a054e975b70858 [0,0,1,0,0,1|1,0,1]=4 1027 B9R0.42 CCC(C)NC(=O)C(C)O b528fef17ea9a1a4c2132e5346199642 [0,0,1,0,0,1|0,0,2]=4 1028 B9R0.42 CCC(C)NC(=O)C(C)S 03802aba7687420d3d50483aeb1f79e6 [0,0,1,0,0,1|0,1,1]=4 1029 B9R0.42 CCC(C)NC(=O)[C@@H](C)F 75a083c3aaa5b0798c2b52f27426e086 [0,0,1,0,0,1|1,0,1]=4 1030 B9R0.42 CCC(C)NC(=O)[C@@H](C)O b1f727fc820c8aa8747807588aa67545 [0,0,1,0,0,1|0,0,2]=4 1031 B9R0.42 CCC(C)NC(=O)[C@H](C)F a28df232bf1e8b8db77b1a07db5d19ac [0,0,1,0,0,1|1,0,1]=4 1032 B9R0.42 CCC(C)NC(=O)[C@H](C)O 428a01b3553540ee5463123f47988de0 [0,0,1,0,0,1|0,0,2]=4 1033 B9R0.42 CCC(C)NC(C)C(=O)C d2076d1ba3d94792c9c6038946ccef31 [0,0,1,0,0,1|1,0,1]=4 1034 B9R0.42 CCC(C)OC(C)C(=O)C 869490a476a05fd9f4215591c2108bcf [0,0,1,0,0,1|1,0,1]=4 1035 B9R0.42 CCN(C)CC(=O)C(=O)C 2604ddc77473b543234427eb838b9328 [0,0,1,0,0,1|1,0,0]=3 1036 B9R0.42 CCN(C)CC(=O)C(=O)O 69b21dc210a575cfa14653a614f06f44 [0,0,1,0,0,1|2,0,0]=4 1037 B9R0.42 CCN(C)CC(=O)C(C)C 8ab4bbd65013e0c42aa87e3083dce164 [0,0,1,0,0,1|2,0,0]=4 1038 B9R0.42 CC[C@@H](C)NC(=O)C(=O)C 6feb51e3f091d8424d5a2a7666ce09bb [0,0,1,0,0,1|0,0,0]=2 1039 B9R0.42 CC[C@@H](C)NC(=O)C(=O)N 80cc930d2405733be40030e5f6cb1eb9 [0,0,1,0,0,1|1,0,0]=3 1040 B9R0.42 CC[C@@H](C)NC(=O)C(C)F 15ce8abb06713bd18ea6cf1b33b33dd6 [0,0,1,0,0,1|1,0,1]=4 1041 B9R0.42 CC[C@@H](C)NC(=O)C(C)O 70a022a219485c5f4bf5f811ec968bf4 [0,0,1,0,0,1|0,0,2]=4 1042 B9R0.42 CC[C@@H](C)NC(=O)C(C)S d5424adbc5535a6361e29943b243571e [0,0,1,0,0,1|0,1,1]=4 1043 B9R0.42 CC[C@@H](C)NC(=O)[C@@H](C)F 787f1cf854acc2a7cc5e5afd133a9347 [0,0,1,0,0,1|1,0,1]=4 1044 B9R0.42 CC[C@@H](C)NC(=O)[C@@H](C)O 712f45a8fab3ebdd7ad34e28a8985593 [0,0,1,0,0,1|0,0,2]=4 1045 B9R0.42 CC[C@@H](C)NC(=O)[C@H](C)F b87931679e72959e6f51227f18c8e5e6 [0,0,1,0,0,1|1,0,1]=4 1046 B9R0.42 CC[C@@H](C)NC(=O)[C@H](C)O 9c5e4babce57b980591d6b6da310c319 [0,0,1,0,0,1|0,0,2]=4 1047 B9R0.42 CC[C@@H](C)NC(C)C(=O)C b24456cc36463141fbd5e75c825a37f1 [0,0,1,0,0,1|1,0,1]=4 1048 B9R0.42 CC[C@@H](C)OC(C)C(=O)C 295eb013673e453ac32386a805e93771 [0,0,1,0,0,1|1,0,1]=4 1049 B9R0.42 CC[C@H](C)NC(=O)C(=O)C 02a97ab8c9ee5fd4e7a804cd14237c27 [0,0,1,0,0,1|0,0,0]=2 1050 B9R0.42 CC[C@H](C)NC(=O)C(=O)N f18718c3a127bec4f2e8f31b0a844663 [0,0,1,0,0,1|1,0,0]=3 1051 B9R0.42 CC[C@H](C)NC(=O)C(C)F 2dbaa3b038f200d99da821f110ce2f6b [0,0,1,0,0,1|1,0,1]=4 1052 B9R0.42 CC[C@H](C)NC(=O)C(C)O 1cb6c55d86dad68f790f2bd2fe156349 [0,0,1,0,0,1|0,0,2]=4 1053 B9R0.42 CC[C@H](C)NC(=O)C(C)S 00b981dbeff48a12a9cd68611523d0c1 [0,0,1,0,0,1|0,1,1]=4 1054 B9R0.42 CC[C@H](C)NC(=O)[C@@H](C)F 396f816836963625d74912a267b8e11c [0,0,1,0,0,1|1,0,1]=4 1055 B9R0.42 CC[C@H](C)NC(=O)[C@@H](C)O 7282aaeb8ba8196fd23ce1dd7381c080 [0,0,1,0,0,1|0,0,2]=4 1056 B9R0.42 CC[C@H](C)NC(=O)[C@H](C)F 540fef7bce8269ae78c3ccbb7be1607c [0,0,1,0,0,1|1,0,1]=4 1057 B9R0.42 CC[C@H](C)NC(=O)[C@H](C)O 8958a13cde5caf7f7958e94cdd8f5ecb [0,0,1,0,0,1|0,0,2]=4 1058 B9R0.42 CC[C@H](C)NC(C)C(=O)C 7113b1598f00dc879293959ff877ca42 [0,0,1,0,0,1|1,0,1]=4 1059 B9R0.42 CC[C@H](C)OC(C)C(=O)C 6af11b8669d1b3b219988957a2f45060 [0,0,1,0,0,1|1,0,1]=4 1060 B9R0.42 C[C@@H](CO)NC(=O)C(=O)N 6d5caaf306105ccc595b4304019de9a4 [0,0,1,0,0,1|2,0,0]=4 1061 B9R0.42 C[C@H](CO)NC(=O)C(=O)N 442b84cac48dc01b1a046cfb8f583325 [0,0,1,0,0,1|2,0,0]=4