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B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.6 CC=CCNCO c2d6aa2f6263348f8e93d5ad39fb9704 [1,0,0,0,0,0|1,0,2]=4 17 B8R0.6 C#CC(=O)NCC=CC d629596377fa9df6d699e065ce125d51 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.6 C=C(C=O)OC/C=C/C 2dcc3110c86a6a555816f9e93568f805 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.6 C=C(C=O)OC/C=C\C 93550c76437bdb34f8fb27ee7eff4467 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.6 C=CC(=O)NCC=CC 7bfd6f39a10cac7561bd29c81bebed41 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.6 CC=CCNC(=O)C=O 2619bd06651b9bd7fad594d339b07422 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.6 CC=CCNC(=O)CC 0567aadeecba276bde20c091c56d95d3 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.6 CC=CCNC(=O)CF 0d5f7fd26f945e36e8c6eecf363d8b30 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.6 CC=CCNC(=O)CO 89f535fd64f7fddf0a20907685f7be1f [0,1,0,0,0,0|1,0,1]=3 25 B8R0.6 CC=CCNC(=O)CS a2418ca7c15d5fb8667c73be3fb859b5 [0,1,0,0,0,0|1,1,1]=4 26 B8R0.7 C/C=C/CNCC(=O)C d08365ea544d9b1f5f738627bd1655a4 [0,1,0,0,0,0|1,0,2]=4 27 B8R0.7 C/C=C/CNCC(=O)N 35bccb5c6f26f8bea4b235e26562bb8f [0,1,0,0,0,0|1,0,2]=4 28 B8R0.7 C/C=C/CNCC(=O)O c42f2b1a73316da9e67d3841e3bba390 [0,1,0,0,0,0|0,0,2]=3 29 B8R0.7 C/C=C/COCC(=O)C 8704cfa8ea1b508d264e8fc5e5c29d85 [0,1,0,0,0,0|1,0,2]=4 30 B8R0.7 C/C=C/COCC(=O)N 5a789f9788fb0b39c2772356abc11d01 [0,1,0,0,0,0|1,0,2]=4 31 B8R0.7 C/C=C/COCC(=O)O 226b10d27bfff6e38810e52e502a3510 [0,1,0,0,0,0|0,0,2]=3 32 B8R0.7 C/C=C/COCS(=O)O 8f948a2ea386382c9b970dc6d7543956 [0,1,0,0,0,0|1,0,2]=4 33 B8R0.7 C/C=C\CNCC(=O)C 6a6c9d418c0891c2fa3bf4c597c04764 [0,1,0,0,0,0|1,0,2]=4 34 B8R0.7 C/C=C\CNCC(=O)N 986aed96850afbf455a00521096423c9 [0,1,0,0,0,0|1,0,2]=4 35 B8R0.7 C/C=C\CNCC(=O)O f297a0a2509c5e78c48c40fb1dbd770d [0,1,0,0,0,0|0,0,2]=3 36 B8R0.7 C/C=C\COCC(=O)C 2779d7a42d72df0b04bf874f0b76bd29 [0,1,0,0,0,0|1,0,2]=4 37 B8R0.7 C/C=C\COCC(=O)N 946717a3036575b064e54b5e93162f10 [0,1,0,0,0,0|1,0,2]=4 38 B8R0.7 C/C=C\COCC(=O)O e58cd13c0ed7a7febac3a76fdbabc6bc [0,1,0,0,0,0|0,0,2]=3 39 B8R0.7 C/C=C\COCS(=O)O 4b2a40c27272c651830af668304424f7 [0,1,0,0,0,0|1,0,2]=4 40 B8R0.7 CC=CCNCC(=O)N 7efd7732ed8821f9c7210004bad86f98 [0,1,0,0,0,0|1,0,2]=4 41 B8R0.7 CC=CCNCC(=O)O ca4b4f47c78da4f7c20abbf90afdb294 [0,1,0,0,0,0|0,0,2]=3 42 B8R0.7 CC=CCOCC(=O)N 88e8dd09adb68044e374d93bc6b3c79e [0,1,0,0,0,0|1,0,2]=4 43 B8R0.7 CC=CCOCC(=O)O c8d8ca65cbc2c5e4d49fda8c8e6e7f5b [0,1,0,0,0,0|0,0,2]=3 44 B8R0.7 CCNC/C=C/C(=O)O d0499e3991f67013ba9a4ec4c13f446c [0,1,0,0,0,0|0,0,2]=3 45 B8R0.7 CCNCC=CC(=O)O e5cbdf981b4630f2923b926612b3f826 [0,1,0,0,0,0|0,0,2]=3 46 B8R0.7 CCOC/C=C/C(=O)O a4d627c90e9b839f6af237bc31e6e15a [0,1,0,0,0,0|0,0,2]=3 47 B8R0.7 CCOCC=CC(=O)O fa82522b856262d89b9f085f9d67d294 [0,1,0,0,0,0|0,0,2]=3 48 B8R0.7 N#CNC/C=C/C(=O)O 917c035ac4501d7b94c08fd15eb36b27 [0,1,0,0,0,0|1,0,2]=4 49 B8R0.7 N#CNCC=CC(=O)O 36157bd0fc8f8536ac65283b8d7be8b2 [0,1,0,0,0,0|1,0,2]=4 50 B8R0.7 O=C(O)/C=C/CNCF bf1a500decef8c303d3f6a742fbbad66 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.7 O=C(O)/C=C/CNCO 636d80fa901fc7691204fa365c3594e9 [0,1,0,0,0,0|1,0,1]=3 52 B8R0.7 O=C(O)/C=C/COCF ebed56b3d2d90acdfdb36d8c22e5f4aa [0,1,0,0,0,0|1,0,1]=3 53 B8R0.7 O=C(O)C=CCNCF 3f514297543f3f20f01aa027e709b899 [0,1,0,0,0,0|1,0,1]=3 54 B8R0.7 O=C(O)C=CCNCO d0e67b57ae84da8c5e0237ae3ec49a86 [0,1,0,0,0,0|1,0,1]=3 55 B8R0.7 O=C(O)C=CCOCF ff531e5fc8f016fd8f892ee935d373af [0,1,0,0,0,0|1,0,1]=3 56 B8R0.7 O=C(O)CNC/C=C/Cl a02c0fde949bfab42ff175ce598a29df [0,1,0,0,0,0|1,0,2]=4 57 B8R0.7 O=C(O)CNC/C=C\Cl daa8db9a6890a10062e4294c482e15c4 [0,1,0,0,0,0|1,0,2]=4 58 B8R0.7 O=C(O)CNC/C=C\O fcaf4aee7217c0e4fd5dd5a9fcf238f8 [0,1,0,0,0,0|1,0,2]=4 59 B8R0.7 O=C(O)COC/C=C/Cl c3f3f7ffc75efe73a4f3269177d5d6f7 [0,1,0,0,0,0|1,0,2]=4 60 B8R0.7 O=C(O)COC/C=C\Cl 606e0e0eece79d7db405143c5a9c7049 [0,1,0,0,0,0|1,0,2]=4 61 B8R0.7 O=C(O)COCC=CCl 0752457ce4c981dbe25441df90db13c7 [0,1,0,0,0,0|1,0,2]=4 62 B8R0.8 C=C(COCC)C(=O)O b3208edc35f04bc3c761d3282605ef24 [0,1,0,0,0,0|1,0,2]=4 63 B8R0.9 C=C(C=O)OCC(=O)O 51cf25f24ad7581d33b70bddaf0e4f72 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.28 C=C(C)CNCC(=O)O d2fb071764818c27006da68838bfc61e [0,1,0,0,0,0|1,0,2]=4 65 B8R0.28 C=C(C)COCC(=O)O 832789ca495f30d4ff4e6ddd8693aa4b [0,1,0,0,0,0|1,0,2]=4 66 B8R0.28 CC(=O)CNCC(=O)O 3b62ba43bac1c68066fe81a9d9795c10 [0,1,0,0,0,0|1,0,2]=4 67 B8R0.28 CC(=O)COCC(=O)O f81228ab107345361ebd98034538304d [0,1,0,0,0,0|1,0,2]=4 68 B8R0.28 CC(=O)NCC=C(C)C 7c7868b44759d01e31a9aacecfcd8b3c [0,1,0,0,0,0|2,0,1]=4 69 B8R1.7 CC(=O)N1CC=CC1 e11b9582e24204de984b55633fe5316e [0,0,0,1,0,0|2,0,1]=4 70 B7R0.1 C/C=C/COCC=O a04196aefd24112eb562a3e675cacb10 [1,1,0,0,0,0|0,0,2]=4 71 B7R0.1 C/C=C\COCC=O 5966da7a2bd6e7b944d12afa3bfd6d4d [1,1,0,0,0,0|0,0,2]=4 72 B7R0.1 CC=CCNCC=O 5d9538246e7192cf7f10ceb0474b57c9 [1,1,0,0,0,0|0,0,2]=4 73 B7R0.1 CC=CCOCC=O 98aa3aa2b695c739d9bf5f08ad0f7dbd [1,1,0,0,0,0|0,0,2]=4 74 B7R0.1 CCOC/C=C/C=O 3d6951e444130c3127ae3a39ab2f79f2 [1,1,0,0,0,0|0,0,2]=4 75 B7R0.1 O=C/C=C/COCF 0572373d316df776b943df80b0e38288 [1,1,0,0,0,0|1,0,1]=4 76 B9R0.4 C/C=C/CN(C)CC(=O)O 23ac9de1d2dde35b4e407697595e4c31 [0,2,0,0,0,0|0,0,2]=4 77 B9R0.4 C/C=C\CN(C)CC(=O)O f33e8e9cccae63a33fb2ea55fc4083d8 [0,2,0,0,0,0|0,0,2]=4 78 B9R0.1 CC(=CCNC(=O)CO)C 99de69a27f56e0717a5c36bd796a7f00 [0,2,0,0,0,0|1,0,1]=4 79 B9R0.1 CCN(C)C/C=C/C(=O)O c59393b71dfbf874e824ace25c6dde8a [0,2,0,0,0,0|0,0,2]=4 80 B9R0.1 CCN(C)CC=CC(=O)O 2b5cd669133f9500117e44a88402af2e [0,2,0,0,0,0|0,0,2]=4 81 B9R0.5 C/C=C/C=C/C(=O)NC#N 1ba2b9d5c8b70a6648b3ddb0ce6f99d4 [0,2,0,0,0,0|1,0,0]=3 82 B9R0.5 CC=CC=CC(=O)NC#N 1427c3a01524716eab6907b470833086 [0,2,0,0,0,0|1,0,0]=3 83 B9R0.5 CC=CCNC(=O)CCO 2e495d23d3680cc81a36c441c44b65ce [0,2,0,0,0,0|1,0,1]=4 84 B9R0.5 CC=CCNC(=O)COC a1a4cd7248c5a0e045fc4c87be71c275 [0,2,0,0,0,0|1,0,1]=4 85 B9R0.5 CC=CCNC(=O)CON 0337b89b019198672ee8eb82054248b9 [0,2,0,0,0,0|1,0,1]=4 86 B9R0.8 CCOC=C(F)C(=O)OC 8533dc5da2314954488a7df259a72902 [0,2,0,0,0,0|1,0,1]=4 87 B9R0.46 C/C=C/CNCC(=O)NO c15fcaf6f81cbb882e0d22e07a186140 [0,2,0,0,0,0|0,0,2]=4 88 B9R0.46 C/C=C/CNCC(=O)OC 6f3d3544007b0e7617d15f94db3edb22 [0,2,0,0,0,0|0,0,2]=4 89 B9R0.46 C/C=C/COCC(=O)OC 5b8108bef0d1608d3bf5154a5bad1927 [0,2,0,0,0,0|0,0,2]=4 90 B9R0.46 C/C=C\CNCC(=O)NO ae756aa7efe0a146669dd3b19bde4c3b [0,2,0,0,0,0|0,0,2]=4 91 B9R0.46 C/C=C\CNCC(=O)OC 32a295fd0ddc1865d36e4b6355b75208 [0,2,0,0,0,0|0,0,2]=4 92 B9R0.46 C/C=C\COCC(=O)OC add1663ee33822f498b3a7c7964f86ff [0,2,0,0,0,0|0,0,2]=4 93 B9R0.46 CC=CCNCC(=O)CO e517718e4100543468260cf3c3dac5f9 [0,2,0,0,0,0|0,0,2]=4 94 B9R0.46 CC=CCNCC(=O)OC 87a5ef408de8dabff44eb18793f2a2b4 [0,2,0,0,0,0|0,0,2]=4 95 B9R0.46 CC=CCOCC(=O)OC d0e0bfd862a552b349cd9e0bc933c965 [0,2,0,0,0,0|0,0,2]=4 96 B9R0.46 CCOC/C=C/C(=O)OC 768298698af36b745bc9dad60b33bf97 [0,2,0,0,0,0|0,0,2]=4 97 B9R0.46 COC(=O)/C=C/COCF 14619ecef9c0e27816532aca1dafa54e [0,2,0,0,0,0|1,0,1]=4 98 B9R0.47 C/C=C/CNC(C)C(=O)O 4aa46a6a5b61d83e51c186b50e9ba54a [0,2,0,0,0,0|0,0,2]=4 99 B9R0.47 C/C=C/CNC(O)C(=O)O 906b892f63784cb8f60b4e51381e3384 [0,2,0,0,0,0|0,0,2]=4 100 B9R0.47 C/C=C/CN[C@@H](C)C(=O)O 5231e64c4a03a159432e9adc2388905b [0,2,0,0,0,0|0,0,2]=4 101 B9R0.47 C/C=C/CN[C@H](C)C(=O)O 14a0d063c94c883c6dd352b5e508e926 [0,2,0,0,0,0|0,0,2]=4 102 B9R0.47 C/C=C/COC(C)C(=O)O 82f7f061ae93bda52c10b753eafcfd87 [0,2,0,0,0,0|0,0,2]=4 103 B9R0.47 C/C=C/CO[C@@H](C)C(=O)O 2e5b4c3aa12c6e83da48403889a5aa01 [0,2,0,0,0,0|0,0,2]=4 104 B9R0.47 C/C=C/CO[C@H](C)C(=O)O 0c38ee8b384c69e12654325f05d511a8 [0,2,0,0,0,0|0,0,2]=4 105 B9R0.47 C/C=C\CNC(C)C(=O)O 6cc6e7dc976a9bf206c62be4d75f5c54 [0,2,0,0,0,0|0,0,2]=4 106 B9R0.47 C/C=C\CNC(O)C(=O)O c843741f3db062a6d8bd8a00ce21063c [0,2,0,0,0,0|0,0,2]=4 107 B9R0.47 C/C=C\CN[C@@H](C)C(=O)O 627408bf100813bc560a3ea189e5b402 [0,2,0,0,0,0|0,0,2]=4 108 B9R0.47 C/C=C\CN[C@H](C)C(=O)O 4120306531d8303b31c02a20de66cc17 [0,2,0,0,0,0|0,0,2]=4 109 B9R0.47 C/C=C\COC(C)C(=O)O 6041bc3ab5a06eb384f19d1362651c9c [0,2,0,0,0,0|0,0,2]=4 110 B9R0.47 C/C=C\CO[C@@H](C)C(=O)O 1c574a56decf07d593019585e9afaa12 [0,2,0,0,0,0|0,0,2]=4 111 B9R0.47 C/C=C\CO[C@H](C)C(=O)O bbbea57a557d0d6446da76d0a42c4a63 [0,2,0,0,0,0|0,0,2]=4 112 B9R0.47 CC=CCNC(=O)C(=O)C 7ec7ded94a2b7899cf7876932181fb94 [0,2,0,0,0,0|1,0,1]=4 113 B9R0.47 CC=CCNC(=O)C(=O)N 792973965a7c079de2a0d7fe2b14ff8d [0,2,0,0,0,0|1,0,1]=4 114 B9R0.47 CC=CCNC(=O)C(C)O c28253caedfd89b3e9028d418fa2b7f3 [0,2,0,0,0,0|1,0,1]=4 115 B9R0.47 CC=CCNC(=O)C(O)O 402ed7aa011126e6345455ddbc9b64b3 [0,2,0,0,0,0|1,0,1]=4 116 B9R0.47 CC=CCNC(=O)[C@@H](C)O 2edc32fa9e700719f49f219f688c81c2 [0,2,0,0,0,0|1,0,1]=4 117 B9R0.47 CC=CCNC(=O)[C@H](C)O 7f0c42df980ff5b419e7a53a830bf50f [0,2,0,0,0,0|1,0,1]=4 118 B9R0.47 CC=CCNC(C)C(=O)O a9cc2297cb35b1ad3fe9ee799944523a [0,2,0,0,0,0|0,0,2]=4 119 B9R0.47 CC=CCNC(F)C(=O)O 3ecf0f914efe5924171372f807348f45 [0,2,0,0,0,0|0,0,2]=4 120 B9R0.47 CC=CCN[C@@H](C)C(=O)O 4a9509e144e13e18f69befac1ba24c23 [0,2,0,0,0,0|0,0,2]=4 121 B9R0.47 CC=CCN[C@@H](F)C(=O)O fc19f739ebe6dac724c715ade1a6c25e [0,2,0,0,0,0|0,0,2]=4 122 B9R0.47 CC=CCN[C@H](C)C(=O)O 887a52c63b6151c564386459e4c72979 [0,2,0,0,0,0|0,0,2]=4 123 B9R0.2 C#CCNC/C=C/C(=O)O be98af70d6da1f877b1f595caabb5803 [0,2,0,0,0,0|1,0,1]=4 124 B9R0.2 C#CCNCC=CC(=O)O a1f76c6058a6a81654c574183e81685b [0,2,0,0,0,0|1,0,1]=4 125 B9R0.2 C#CCOC/C=C/C(=O)O e24154ba2c22ad3854e3dce8d007ed14 [0,2,0,0,0,0|1,0,1]=4 126 B9R0.2 C#CCOCC=CC(=O)O 1dd99327b65bc7276937f4c64209f95d [0,2,0,0,0,0|1,0,1]=4 127 B9R0.2 C/C=C/CCOCC(=O)O d02eb75e5aadfb9961c8467e0504d028 [0,2,0,0,0,0|0,0,2]=4 128 B9R0.2 C/C=C/CNCCC(=O)O 320ccfadee70343ec534463874adee9c [0,2,0,0,0,0|0,0,2]=4 129 B9R0.2 C/C=C/COCCC(=O)O de4483f9043c4323aa635f969181027c [0,2,0,0,0,0|0,0,2]=4 130 B9R0.2 C/C=C\CNCCC(=O)O 3db27db0f3bf53817103cf733a337082 [0,2,0,0,0,0|0,0,2]=4 131 B9R0.2 C/C=C\COCCC(=O)O 77884cf4196c6ee578ac2dc56b34854b [0,2,0,0,0,0|0,0,2]=4 132 B9R0.2 C=CCNC/C=C/C(=O)O 636992344ad4cc5c0805bc5588e83c40 [0,2,0,0,0,0|0,0,2]=4 133 B9R0.2 C=CCNCC=CC(=O)O 6366a056fc5f421ff29841bcd01bc941 [0,2,0,0,0,0|0,0,2]=4 134 B9R0.2 C=CCOC/C=C/C(=O)O 1f8cd64a72cdcfc5032c523eb9c51e0c [0,2,0,0,0,0|0,0,2]=4 135 B9R0.2 C=CCOCC=CC(=O)O ee8389b68c24cebb495b0c3b85f03986 [0,2,0,0,0,0|0,0,2]=4 136 B9R0.2 CC/C=C/CNCC(=O)O 608fca61d210069d4fe6cf3ba8d9b082 [0,2,0,0,0,0|0,0,2]=4 137 B9R0.2 CC/C=C/COCC(=O)O 47aadf9bd1a62be7751b0a2fca80ef8b [0,2,0,0,0,0|0,0,2]=4 138 B9R0.2 CC/C=C\COCC(=O)O 21a75a85140d898476b2fb3f38c071e1 [0,2,0,0,0,0|0,0,2]=4 139 B9R0.2 CC=CCNCCC(=O)O 5c13e7fcfabbe27240aa9f1486a09b86 [0,2,0,0,0,0|0,0,2]=4 140 B9R0.2 CC=CCOCCC(=O)O 34847ee459642c229d44db8cb0176d10 [0,2,0,0,0,0|0,0,2]=4 141 B9R0.2 CCCNC/C=C/C(=O)O 2dd1b47b43d39c78f5fbca7c7571ff45 [0,2,0,0,0,0|0,0,2]=4 142 B9R0.2 CCCNCC=CC(=O)O f6d198a3c4819b4eb753a38590475072 [0,2,0,0,0,0|0,0,2]=4 143 B9R0.2 CCCOC/C=C/C(=O)O 687938439e6711299f4c9234a05e83ff [0,2,0,0,0,0|0,0,2]=4 144 B9R0.2 CCCOCC=CC(=O)O 08e8672bb8b818ca24be0e027803b17f [0,2,0,0,0,0|0,0,2]=4 145 B9R0.2 COCNC/C=C/C(=O)O 0fa427a6486acbb4d373241fedb0a10e [0,2,0,0,0,0|0,0,2]=4 146 B9R0.2 COCNCC=CC(=O)O 6df88093ebd1ff3e1f049de99a96ca09 [0,2,0,0,0,0|0,0,2]=4 147 B9R0.2 COCOC/C=C/C(=O)O 54f81693b4cd346c35998d208561a80c [0,2,0,0,0,0|0,0,2]=4 148 B9R0.2 COCOCC=CC(=O)O ad57febf4e8b32f0fa5c10f2425d4372 [0,2,0,0,0,0|0,0,2]=4 149 B9R0.2 CSCNC/C=C/C(=O)O 7c226f0048c34d5bb97b0870c0873d3b [0,2,0,0,0,0|0,0,2]=4 150 B9R0.2 CSCNCC=CC(=O)O b8b6d8f69bf1687618553648a2d97d05 [0,2,0,0,0,0|0,0,2]=4 151 B9R0.2 CSCOC/C=C/C(=O)O d0647dc68632bd0d847ac45201ae5914 [0,2,0,0,0,0|0,0,2]=4 152 B9R0.2 CSCOCC=CC(=O)O 37540b99283d1f3b0431d790f6db1d9c [0,2,0,0,0,0|0,0,2]=4 153 B9R0.2 N#CCNC/C=C/C(=O)O bcfb21d5d2a8a9bbb04a08b54fa9c3f9 [0,2,0,0,0,0|1,0,1]=4 154 B9R0.2 N#CCNCC=CC(=O)O 195ab10e2ffd0db9e1d32d78a2100a3f [0,2,0,0,0,0|1,0,1]=4 155 B9R0.2 N#CCOC/C=C/C(=O)O 16d40f5623b34b35f1288f397c27a7fa [0,2,0,0,0,0|1,0,1]=4 156 B9R0.2 N#CCOCC=CC(=O)O 99fca6548a92b079018e5952cba57a4f [0,2,0,0,0,0|1,0,1]=4 157 B9R0.2 O=C(O)/C=C/CNCCBr 9d755d7205a20dbe522663a089879b3a [0,2,0,0,0,0|0,0,2]=4 158 B9R0.2 O=C(O)/C=C/CNCCF b3131ced97b234b1289a5013b1e1c61c [0,2,0,0,0,0|0,0,2]=4 159 B9R0.2 O=C(O)/C=C/CNCCI ce769c9f0428b17440c76351c7e11247 [0,2,0,0,0,0|0,0,2]=4 160 B9R0.2 O=C(O)/C=C/CNCCO 93a89649b619dea89e7c11dfa7f7aa9d [0,2,0,0,0,0|0,0,2]=4 161 B9R0.2 O=C(O)/C=C/CNCCS 92abc05d6e84073df2dee1d135db5373 [0,2,0,0,0,0|0,0,2]=4 162 B9R0.2 O=C(O)/C=C/COCCF db5f7eff06251f8978f4f7d07daa01c2 [0,2,0,0,0,0|0,0,2]=4 163 B9R0.2 O=C(O)/C=C/COCCS 8a3013d354f5503b5682b578d368f0da [0,2,0,0,0,0|0,0,2]=4 164 B9R0.2 O=C(O)C=CCNCCBr cf334d8d753b9386bfc69e4cfdf7de70 [0,2,0,0,0,0|0,0,2]=4 165 B9R0.2 O=C(O)C=CCNCCF 777a9c85e85fbc73694a5651e8be607e [0,2,0,0,0,0|0,0,2]=4 166 B9R0.2 O=C(O)C=CCNCCI 1b842602153f6c762c46e27cd24adee8 [0,2,0,0,0,0|0,0,2]=4 167 B9R0.2 O=C(O)C=CCNCCO 9ade19e93c03b7906f649b0ba2e47aaa [0,2,0,0,0,0|0,0,2]=4 168 B9R0.2 O=C(O)C=CCNCCS 6895181496316641d5fbe1ba3f2cbad9 [0,2,0,0,0,0|0,0,2]=4 169 B9R0.2 O=C(O)C=CCOCCF 6a1cced9ceb263fe986a90f4d7cb48be [0,2,0,0,0,0|0,0,2]=4 170 B9R0.2 O=C(O)C=CCOCCS 129f928d26e6fb7bee7caf0418eb6896 [0,2,0,0,0,0|0,0,2]=4 171 B9R0.2 O=C/C=C/COCC(=O)O 284385ade96d614298a0526c494c4c74 [0,2,0,0,0,0|1,0,1]=4 172 B9R0.2 O=CCNC/C=C/C(=O)O 0560a7cc80ce2066b7203fc1ceaf2098 [0,2,0,0,0,0|1,0,1]=4 173 B9R0.2 O=CCNCC=CC(=O)O 0850b99cd9ada6f722f3655e709b2c39 [0,2,0,0,0,0|1,0,1]=4 174 B9R0.2 O=CCOC/C=C/C(=O)O 08e2e473a556aa712c3a07a614d12573 [0,2,0,0,0,0|1,0,1]=4 175 B9R0.2 O=CCOCC=CC(=O)O 57edcebe4ea005db580dd8770b232662 [0,2,0,0,0,0|1,0,1]=4 176 B9R0.48 C/C=C/C(=O)NCC(=O)C 4bd41d84ba8243cdd2ab45f2a8dbcd77 [0,2,0,0,0,0|1,0,1]=4 177 B9R0.48 C/C=C/C(=O)NCC(=O)N 2b1cf945c4501bf02a4c304c04c1c271 [0,2,0,0,0,0|1,0,1]=4 178 B9R0.48 C/C=C/C(C)OCC(=O)O faebc3261e3a36af1d31713fdea4082c [0,2,0,0,0,0|0,0,2]=4 179 B9R0.48 CC=CC(C)OCC(=O)O 4f9396fcfa89905cdd40c7dc857f21fd [0,2,0,0,0,0|0,0,2]=4 180 B9R0.55 C/C(=C/CNCC(=O)O)/I a76d6dbc0e5328a9b8aa64ebd1b6c194 [0,2,0,0,0,0|0,0,2]=4 181 B9R0.55 C/C(=C/COCC(=O)O)/Cl bdea4f5aeb03cc258b24f376652d8a21 [0,2,0,0,0,0|0,0,2]=4 182 B9R0.55 C/C(=C/COCC(=O)O)/I 6bfad94351ed127d47214e042271c08e [0,2,0,0,0,0|0,0,2]=4 183 B9R0.55 C/C(=C\CNCC(=O)O)/Cl 33489f0d342c5536f81ea090a2f820e8 [0,2,0,0,0,0|0,0,2]=4 184 B9R0.55 C/C(=C\COCC(=O)O)/Cl 4fa34096288c6e1175d96996004a7d69 [0,2,0,0,0,0|0,0,2]=4 185 B9R0.55 CC(=CCNCC(=O)O)C eb2d4cd02024c6dd2f4bde47f5d99d0f [0,2,0,0,0,0|0,0,2]=4 186 B9R0.55 CC(=CCNCC(=O)O)Cl 6d8afa17fed8b33a695b60b47587d586 [0,2,0,0,0,0|0,0,2]=4 187 B9R0.55 CC(=CCNCC(=O)O)I e657b86155224eb6f1335bfe7dfa415c [0,2,0,0,0,0|0,0,2]=4 188 B9R0.55 CC(=CCOCC(=O)O)C dd5792ad54701fa0e3373ee19c312e10 [0,2,0,0,0,0|0,0,2]=4 189 B9R0.55 CC(=CCOCC(=O)O)Cl 694c1884a37ad5555ea5d980bc801c56 [0,2,0,0,0,0|0,0,2]=4 190 B9R0.55 CC(=CCOCC(=O)O)I be3e61200a84664bfac9ff931641085e [0,2,0,0,0,0|0,0,2]=4 191 B9R0.55 CC(C)NC/C=C/C(=O)O ae9dbd87f20c6972a3670d953188c3ce [0,2,0,0,0,0|0,0,2]=4 192 B9R0.55 CC(C)NCC=CC(=O)O 8c3eb5e4ab7e707382a244b29e0cbb5e [0,2,0,0,0,0|0,0,2]=4 193 B9R0.55 CC(C)OC/C=C/C(=O)O 6bbca3c32dd54059c9ebefbdb83a4677 [0,2,0,0,0,0|0,0,2]=4 194 B9R0.55 CC(C)OCC=CC(=O)O 0c0c6ff71b7a84b51cfd84c6c96dabb5 [0,2,0,0,0,0|0,0,2]=4 195 B7R1.1 O=CN1CC=CC1 00c83ff9220e787a4c487ae8b9d72ecb [1,0,0,1,0,0|1,0,1]=4 196 B9R1.7 CCNc1cc(=O)[nH]o1 7c0777fc5b1ddb34d4b644f60c6c25e3 [0,1,0,1,0,0|1,0,1]=4 197 B9R1.7 CCOC1C=CC(=O)O1 29891b23a7e06859f351008a27b82b00 [0,1,0,1,0,0|0,0,2]=4 198 B9R1.7 O=C1C=CC(O1)OCF 854166bbbf25e5d5b8db2221f93769c5 [0,1,0,1,0,0|1,0,1]=4 199 B9R1.13 CC(=O)Nc1cccs1 f70dc40a2b7a68d7210198fbab697918 [0,1,0,1,0,0|2,0,0]=4 200 B9R1.13 O=C(O)CN1CC=CC1 95a23d44a7c175c2727202d3f21e547e [0,1,0,1,0,0|0,0,2]=4 201 B9R1.11 O=C(CO)N1CC=CC1 1273ade47c8439e3864480831b12c15d [0,1,0,1,0,0|1,0,1]=4