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O=C(C(O)CO)N1CCC(C1)O 0b79d7d3a936262b90b594dd5ad4b029 [1,0,1,0,0,0|0,0,2]=4 12 B12R1.33 O=C(C(O)CO)N1CC[C@@H](C1)O 7a4b092f8c452ad1b540ace6fb78bbaa [1,0,1,0,0,0|0,0,2]=4 13 B12R1.33 O=C(C(O)CO)N1CC[C@H](C1)O 67abc7fbb134f280f6424bec8e68f468 [1,0,1,0,0,0|0,0,2]=4 14 B12R1.33 O=C([C@@H](O)CO)N1CCC(C1)O a4b161bdf6f48ef2051d31f5547bc4ac [1,0,1,0,0,0|0,0,2]=4 15 B12R1.33 O=C([C@@H](O)CO)N1CC[C@@H](C1)O b86689b8e81fe6d0dbb544b6dc799a25 [1,0,1,0,0,0|0,0,2]=4 16 B12R1.33 O=C([C@@H](O)CO)N1CC[C@H](C1)O ca4068f32b6535ece95ffde1ef369483 [1,0,1,0,0,0|0,0,2]=4 17 B12R1.472 O=C(O)C(CO)N1CCC(C1)O c2ff0eb07a87b0fed2ccd75688374ef5 [1,0,1,0,0,0|0,0,2]=4 18 B12R1.472 O=C(O)C(CO)N1CC[C@@H](C1)O c55fd51d042568a23c01bdd843ff28b0 [1,0,1,0,0,0|0,0,2]=4 19 B12R1.472 O=C(O)C(CO)N1CC[C@H](C1)O 0acd521613f51d1b51b22245caebca26 [1,0,1,0,0,0|0,0,2]=4 20 B12R1.472 O=C(O)[C@@H](CO)N1CCC(C1)O b2999cc8e326b112ea06e99a97a59562 [1,0,1,0,0,0|0,0,2]=4 21 B12R1.472 O=C(O)[C@@H](CO)N1CC[C@@H](C1)O 7a226bb67460622e59c7066108682368 [1,0,1,0,0,0|0,0,2]=4 22 B12R1.472 O=C(O)[C@@H](CO)N1CC[C@H](C1)O 24b099cef02f680e575371a5ed583f41 [1,0,1,0,0,0|0,0,2]=4 23 B12R1.472 O=C(O)[C@H](CO)N1CCC(C1)O c9279c16fa6e7c90b925f9ac102bcaf0 [1,0,1,0,0,0|0,0,2]=4 24 B12R1.472 O=C(O)[C@H](CO)N1CC[C@@H](C1)O 47b39467a9960f850fe91547876224e6 [1,0,1,0,0,0|0,0,2]=4 25 B12R1.472 O=C(O)[C@H](CO)N1CC[C@H](C1)O 95d55cdaebb102f9878f56f50050c8a3 [1,0,1,0,0,0|0,0,2]=4 26 B12R1.181 O=C(O)C1C(CCN1CCO)O bfa728bd2496b017b2390607bf29372c [1,0,1,0,0,0|0,0,2]=4 27 B12R1.181 O=C(O)[C@@H]1[C@@H](CCN1CCO)O d749989c6ef7b9e2cee3c1499b2c7d44 [1,0,1,0,0,0|0,0,2]=4 28 B12R1.181 O=C(O)[C@@H]1[C@H](CCN1CCO)O 674f7d73e0353b4f5855d2e1410ecb91 [1,0,1,0,0,0|0,0,2]=4 29 B12R1.181 O=C(O)[C@H]1[C@@H](CCN1CCO)O b1016272b3889067ffd8a54a78f707dd [1,0,1,0,0,0|0,0,2]=4 30 B12R1.181 O=C(O)[C@H]1[C@H](CCN1CCO)O 28203638e3b80e19e9394cb543aeac4f [1,0,1,0,0,0|0,0,2]=4 31 B12R1.376 C#CCCN1CC(CC1CO)O e8c18d3bcd7c6a1882c217d3d81d4247 [1,0,1,0,0,0|1,0,1]=4 32 B12R1.376 C=CCCN1CC(CC1CO)O 8ef4c4b795f022ab6e9633f8d5cc6bfc [1,0,1,0,0,0|1,0,1]=4 33 B12R1.376 CCCCN1CC(CC1CO)O 9dfa6eddcdab0b3f8e91715662241c91 [1,0,1,0,0,0|1,0,0]=3 34 B12R1.376 CCOCN1CC(CC1CO)O 3ff9e2c72b5bbed31672e21cb087fd58 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.376 COCCN1CC(CC1CO)O b44673822b5033a865d0e5024b495513 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.376 CSCCN1CC(CC1CO)O 4a604acca08677bdd7a289526094fc7b [1,0,1,0,0,0|2,0,0]=4 37 B12R1.376 N#CCCN1CC(CC1CO)O 4060755d735c59245385d273aeeb2595 [1,0,1,0,0,0|1,0,1]=4 38 B12R1.376 O/C=C\CN1CC(CC1CO)O b7cd99af5cf5888b21949abbd38f1dff [1,0,1,0,0,0|0,0,2]=4 39 B12R1.376 O=CCCN1CC(CC1CO)O 6ae90355607f232afa839f6ec379604b [1,0,1,0,0,0|0,0,2]=4 40 B12R1.376 OCC1CC(CN1CCCF)O 1954b5ce727ae50d1ea28496b17f3c86 [1,0,1,0,0,0|1,0,0]=3 41 B12R1.376 OCC1CC(CN1CCCS)O b5db201aa3cd64e3d4874ebc183065f3 [1,0,1,0,0,0|0,1,0]=3 42 B12R1.376 OCCCN1CC(CC1CO)O ef465cf2ae5b290f358d85a73e708a3b [1,0,1,0,0,0|0,0,0]=2 43 B12R1.318 OCC[C@H](O)CN1CCCC1O 23d9f39e78c77b99faf8f6b5018f5e12 [1,0,1,0,0,0|2,0,0]=4 44 B12R1.83 C#CC1CCCN1C(CO)CO c2734ca626920a0f72268ebd3700d628 [1,0,1,0,0,0|1,0,1]=4 45 B12R1.83 CCC(CC)N1CCCC1CO 83f41ba1b368a7a57c748574908243fe [1,0,1,0,0,0|2,0,0]=4 46 B12R1.83 CCC(CC)N1CCC[C@@H]1CO 6dacead1726a9583eae96af31b859e86 [1,0,1,0,0,0|2,0,0]=4 47 B12R1.83 CCC(CC)N1CCC[C@H]1CO 94153b55474eda71eb7542271f17951c [1,0,1,0,0,0|2,0,0]=4 48 B12R1.83 CCC(CO)N1CCCC1CC 8a40f3519b1ddff1d4903368c2bbe428 [1,0,1,0,0,0|2,0,0]=4 49 B12R1.83 CCC(CO)N1CCCC1CO e0df7bcd77253af79250bc04ce9670bb [1,0,1,0,0,0|1,0,0]=3 50 B12R1.83 CCC(CO)N1CCC[C@@H]1CF 9908a83f90eb732b9e2246293204a4f6 [1,0,1,0,0,0|2,0,0]=4 51 B12R1.83 CCC(CO)N1CCC[C@@H]1CO 8c470a13255bd4308d4d1be8bc81669c [1,0,1,0,0,0|1,0,0]=3 52 B12R1.83 CCC(CO)N1CCC[C@H]1CC 25b4935987cad42d7b4324eb4c72d15d [1,0,1,0,0,0|2,0,0]=4 53 B12R1.83 CCC(CO)N1CCC[C@H]1CF 407370abbef46757ec743f3e908474a9 [1,0,1,0,0,0|2,0,0]=4 54 B12R1.83 CCC(CO)N1CCC[C@H]1CO 2f9360a6e9c81cf110781116292aa1f5 [1,0,1,0,0,0|1,0,0]=3 55 B12R1.83 CCC1CCCN1C(CO)CO 41816eef3d5e1f3bdf29dfb326e18cd7 [1,0,1,0,0,0|1,0,0]=3 56 B12R1.83 CC[C@@H]1CCCN1C(CO)CO 722c2d6f670d2abf55bfcce35d3cf721 [1,0,1,0,0,0|1,0,0]=3 57 B12R1.83 COC1CCCN1C(CO)CO 815da740cc0331a2069e02d5c758c968 [1,0,1,0,0,0|2,0,0]=4 58 B12R1.83 N#CC1CCCN1C(CO)CO c0c3865bb17d4cde1e7d67c383d5cf31 [1,0,1,0,0,0|1,0,1]=4 59 B12R1.83 N#C[C@@H]1CCCN1C(CO)CO d6abdb8e3ca0f0e5cb57c32203384f8c [1,0,1,0,0,0|1,0,1]=4 60 B12R1.83 OCC(CO)N1CCCC1CO 0f94baea34b6f96cfa3a6c90d68d188d [1,0,1,0,0,0|0,0,0]=2 61 B12R1.83 OCC(CO)N1CCC[C@@H]1CF b3efe28227304504788a1692d1a40a30 [1,0,1,0,0,0|1,0,0]=3 62 B12R1.83 OCC(CO)N1CCC[C@@H]1CO 8267fc5eacbd2a5f33e8d0d9133a2a3e [1,0,1,0,0,0|0,0,0]=2 63 B12R1.83 OCC(CO)N1CCC[C@H]1CF 424badf0e2d8d2e7d5e0183d8fd3addd [1,0,1,0,0,0|1,0,0]=3 64 B12R1.83 OCC(CO)N1CCC[C@H]1CO c12120256c47a2b131b9f6e9ee481eb6 [1,0,1,0,0,0|0,0,0]=2 65 B12R1.83 OCC1C=CCN1C(CO)CO 0888d909a45584f09d054489f716d174 [1,0,1,0,0,0|0,0,2]=4 66 B12R1.83 OCC1CCCN1C(CF)CF ffda677480a4c9026458c61e0961140c [1,0,1,0,0,0|2,0,0]=4 67 B12R1.83 OC[C@@H]1CCCN1C(CF)CF 55c669731b1bab8d28b021a03bef162e [1,0,1,0,0,0|2,0,0]=4 68 B12R1.83 OC[C@H]1CCCN1C(CF)CF 4692593f62a95aaccb047bf3d6fc314b [1,0,1,0,0,0|2,0,0]=4 69 B12R1.1300 CC1C(CCN1C(CF)CF)O 249ec678c4894f293ede221a538c0a36 [1,0,1,0,0,0|2,0,0]=4 70 B12R1.1300 CC1C(CCN1C(CO)CO)O b59b2a4b8eb47a786d7656056e4fb2b5 [1,0,1,0,0,0|0,0,0]=2 71 B12R1.1300 CCC(CC)N1CCC(C1C)O ffbdd7ea6ff84e87b17e4514cdfe7379 [1,0,1,0,0,0|2,0,0]=4 72 B12R1.1300 CCC(CC)N1CC[C@@H]([C@@H]1C)O 95bf73497351b559075c88dc93d626b4 [1,0,1,0,0,0|2,0,0]=4 73 B12R1.1300 CCC(CC)N1CC[C@H]([C@H]1C)O 1c06f27fc79658d36c9a34eea548be75 [1,0,1,0,0,0|2,0,0]=4 74 B12R1.1300 CCC(CO)N1CCC(C1C)O fe845eb3cefed7187f13918c9a16f6a7 [1,0,1,0,0,0|1,0,0]=3 75 B12R1.1300 CCC(CO)N1CC[C@@H]([C@@H]1C)O 97a3193c6cb51564325b224ef457e672 [1,0,1,0,0,0|1,0,0]=3 76 B12R1.1300 CCC(CO)N1CC[C@H]([C@H]1C)O b52a62310ac8f904bfe351544953639f [1,0,1,0,0,0|1,0,0]=3 77 B12R1.1300 C[C@@H]1[C@@H](CCN1C(CF)CF)O 480a2816ee7f4b8b79c0b8b534965a1c [1,0,1,0,0,0|2,0,0]=4 78 B12R1.1300 C[C@@H]1[C@@H](CCN1C(CO)CO)O b8c4b1041a193c49e17d0475f47d9c9d [1,0,1,0,0,0|0,0,0]=2 79 B12R1.1300 C[C@H]1[C@H](CCN1C(CF)CF)O f9ba0760e8d7d2a19d38648ec9b8e5fe [1,0,1,0,0,0|2,0,0]=4 80 B12R1.1300 C[C@H]1[C@H](CCN1C(CO)CO)O 62b2ba5dafb1cacc7d666e4ad26eec14 [1,0,1,0,0,0|0,0,0]=2 81 B14R1.6208 C[C@H]1CCN([C@@H]1C(=O)O)C(CO)CO f34cb6b7cd724f2058355054d87f5ba6 [0,1,1,0,0,0|1,0,1]=4 82 B14R1.6208 NC(=O)[C@@H]1[C@H](CCN1C(CO)CO)O cfac51fa45e9b1a97e3cbc34c12ac449 [0,1,1,0,0,0|0,0,2]=4 83 B14R1.6208 O=C(O)C1C(CCN1C(CO)CO)O d1e0928cc9f8ac1db5ef209745625859 [0,1,1,0,0,0|0,0,1]=3 84 B14R1.6208 O=C(O)[C@@H]1[C@@H](CCN1C(CO)CO)F 5418f3c7d19d57d11b292bd962094f55 [0,1,1,0,0,0|1,0,1]=4 85 B14R1.6208 O=C(O)[C@@H]1[C@@H](CCN1C(CO)CO)O 761ab64512e1fe0e5ae5bc3da14ce61d [0,1,1,0,0,0|0,0,1]=3 86 B14R1.6208 O=C(O)[C@@H]1[C@H](CCN1C(CO)CO)O 3d94243febb7c44ee85d26c965cf7385 [0,1,1,0,0,0|0,0,1]=3 87 B14R1.6208 O=C(O)[C@H]1[C@@H](CCN1C(CO)CO)O 091c4626b0556728be43077e78a2bec8 [0,1,1,0,0,0|0,0,1]=3 88 B14R1.6208 O=C(O)[C@H]1[C@H](CCN1C(CO)CO)F 86305eb95690d4870cbe54d7bbf6c9f9 [0,1,1,0,0,0|1,0,1]=4 89 B14R1.6208 O=C(O)[C@H]1[C@H](CCN1C(CO)CO)O 9b48d06c48f243f8a0c5819fb7587ed7 [0,1,1,0,0,0|0,0,1]=3 90 B12R0.188 CCC(C)C(CO)NCCC(C)O 72955883950532e3ea01544c4cbc35a2 [0,0,2,0,0,0|2,0,0]=4 91 B12R0.188 CCC(O)C(CC)NCCC(C)O 12bdb4b68e4b937fd2182bbd16d4b0f1 [0,0,2,0,0,0|2,0,0]=4 92 B12R0.188 CC[C@@H](C)[C@H](CO)NCCC(C)O f68781ac6e73cdfc90c9083de7f63a7d [0,0,2,0,0,0|2,0,0]=4 93 B12R0.188 CC[C@H](C)[C@@H](CO)NCCC(C)O 305b2795520d828afaf8b71b944a820e [0,0,2,0,0,0|2,0,0]=4 94 B12R0.319 CCC(O)CNC(CC)C(O)CC a38f35987dc221ada76dfbb78c96c5b0 [0,0,2,0,0,0|2,0,0]=4 95 B12R0.319 CCC(O)CNC(CO)C(C)CC c616ef04c67dcd9a5a1e79dbef5016cc [0,0,2,0,0,0|2,0,0]=4 96 B12R0.319 CCC(O)CN[C@@H](CO)[C@H](C)CC 1d969db71e9c8e6e2ecc3d1757b24660 [0,0,2,0,0,0|2,0,0]=4 97 B12R0.319 CCC(O)CN[C@H](CO)[C@@H](C)CC 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