0 B13R0.1213 CCC(CC)CCNCC(CC)CO c6e9b03fbb716803ab4de7cc44e15e1f [0,0,0,0,0,0|4,0,0]=4 1 B13R0.1213 CCC(CC)NCCCN(CC)CC df43a7277847462ec8bb4b1d3fbff113 [0,0,0,0,0,0|4,0,0]=4 2 B13R0.1213 CCC(CO)CNCCC(CO)CO 6e6982093408477cac957730e8559706 [0,0,0,0,0,0|4,0,0]=4 3 B13R0.1213 CCC(CO)NCCCC(OC)OC 3e006bdd3b6201a31934dc3c7cde65c9 [0,0,0,0,0,0|4,0,0]=4 4 B13R0.1213 CCC(CO)NCCCN(CC)CC cf61570e6646ee160369348e64bb9eb7 [0,0,0,0,0,0|3,0,0]=3 5 B13R0.1213 CCN(CC)CCCNC(CO)CO 4717b75797330f23e7baa366bf84f5fa [0,0,0,0,0,0|4,0,0]=4 6 B13R0.1213 CC[C@@H](CO)NCCCC(OC)OC 76ac25f0c1151ddf817fceada2e26f84 [0,0,0,0,0,0|4,0,0]=4 7 B13R0.1213 CC[C@@H](CO)NCCCN(CC)CC 10e13ddecd37cdc6be5259f307630228 [0,0,0,0,0,0|3,0,0]=3 8 B13R0.1213 CC[C@H](CO)NCCCC(OC)OC a5699af2f2244f79d7d41b1a7e8b187d [0,0,0,0,0,0|4,0,0]=4 9 B13R0.1213 CC[C@H](CO)NCCCN(CC)CC dd9f0c077516587b56d400c3508774c4 [0,0,0,0,0,0|3,0,0]=3 10 B12R0.130 CC(CO)CCCNC(CO)CO b714caf4916445352989bb77d2c03e5f [1,0,0,0,0,0|2,0,0]=3 11 B12R0.130 CCC(=O)NCCNC(CC)CC b86f2f70e910126fc4e401049c553ddb [1,0,0,0,0,0|1,0,2]=4 12 B12R0.130 CCC(=O)NCCNC(CC)CO 0efdbe3a54b3cd485e35409bc3089e7a [1,0,0,0,0,0|0,0,2]=3 13 B12R0.130 CCC(=O)NCCNC(CO)CO 038810ec6e341df220f5063afa92df5b [1,0,0,0,0,0|1,0,2]=4 14 B12R0.130 CCC(C)CCCOC(CC)CC 55a2667d510c47c833c9b76aa2ec8d45 [1,0,0,0,0,0|3,0,0]=4 15 B12R0.130 CCC(C)CCCOC(CO)CO 88aff033cc3a46657e2643aa9c27cdcb [1,0,0,0,0,0|3,0,0]=4 16 B12R0.130 CCC(C)CCNCC(CC)CO e669896efeb7b4a416e1621861894b6f [1,0,0,0,0,0|3,0,0]=4 17 B12R0.130 CCC(C)NCCCN(CC)CC 9410404b16680c11bdb8b5393120718f [1,0,0,0,0,0|3,0,0]=4 18 B12R0.130 CCC(C=O)NCCCC(C)CO be80145681fdb3f4419523dd40bc7753 [1,0,0,0,0,0|1,0,2]=4 19 B12R0.130 CCC(CC)NCCCC(C)CO 833530de8412c898e523f88d825d268e [1,0,0,0,0,0|2,0,0]=3 20 B12R0.130 CCC(CC)NCCCN(C)CC 371ee1b93d810bc25bc3936aeafc292c [1,0,0,0,0,0|3,0,0]=4 21 B12R0.130 CCC(CC)OCCC[C@@H](C)CC 38b674b622b5d3fe6799c3076365caf1 [1,0,0,0,0,0|3,0,0]=4 22 B12R0.130 CCC(CO)CNCCC(C)CO d17dea8fdb74ae8610ba61bcfe571424 [1,0,0,0,0,0|3,0,0]=4 23 B12R0.130 CCC(CO)CNCC[C@@H](C)CO b84cdb6a5b77e11d834ce90aa92f7dd4 [1,0,0,0,0,0|3,0,0]=4 24 B12R0.130 CCC(CO)NCCCC(C)CO b23d12b6346f55d3103dd66f908fd39a [1,0,0,0,0,0|1,0,0]=2 25 B12R0.130 CCC(CO)NCCCN(C)CC 111de0b313f79c6ce7048bed75f5a61c [1,0,0,0,0,0|2,0,0]=3 26 B12R0.130 CCC(CO)NCCOC(C)C#N d395bb39073f65041b869b231719bf96 [1,0,0,0,0,0|2,0,1]=4 27 B12R0.130 CCN(C)CCCNC(CO)CO 1635f3aa42bc0145029469f47e1ef529 [1,0,0,0,0,0|3,0,0]=4 28 B12R0.130 CCN(CC)CCCNC(C)CO 27a02b37651613eaeba0f39fc40ed851 [1,0,0,0,0,0|3,0,0]=4 29 B12R0.130 CCN(CC)CCCN[C@@H](C)CO 786e3ba0949f4e7acd5076f431ff425c [1,0,0,0,0,0|3,0,0]=4 30 B12R0.130 CCN(CC)CCCN[C@H](C)CO bc3f768903451a635fe7e462cede4311 [1,0,0,0,0,0|3,0,0]=4 31 B12R0.130 CC[C@@H](C)NCCCN(CC)CC 554ff52ceb8631b9626e2414addfe353 [1,0,0,0,0,0|3,0,0]=4 32 B12R0.130 CC[C@@H](CO)NCCOC(C)C#N 6608b428f2628f0f25af85e8b0ea8952 [1,0,0,0,0,0|2,0,1]=4 33 B12R0.130 CC[C@H](C)CCCOC(CO)CO a2eac2fb238987821bfdb9031c21d63a [1,0,0,0,0,0|3,0,0]=4 34 B12R0.130 CC[C@H](C)NCCCN(CC)CC 125d40ec8bab8f791bc117d09376887e [1,0,0,0,0,0|3,0,0]=4 35 B12R0.130 CC[C@H](CO)NCCOC(C)C#N 33bd3e2cf265c89453b393d1032f692a [1,0,0,0,0,0|2,0,1]=4 36 B14R0.600 CCC(CC)C(=O)OCN[C@@H](CC)CO 016523c368a6fbea698d4a673bb6c6e7 [0,1,0,0,0,0|3,0,0]=4 37 B14R0.600 CCC(CC)C(=O)OCN[C@H](CC)CO 51f3f807e485c63925c84edcfd7b7551 [0,1,0,0,0,0|3,0,0]=4 38 B14R0.600 CCC(CO)N(C)CCCN(CC)CC 0f40292d4d4e783db2f113c7bb7df8fc [0,1,0,0,0,0|3,0,0]=4 39 B14R0.600 CCC(CO)NCCC(=O)N(CC)CC 5d64f11b25278097fdc688a35fc9d776 [0,1,0,0,0,0|3,0,0]=4 40 B14R0.600 CCC(CO)NCOC(=O)C(CC)CC e467b4f5a1a51509ecbfee0f649a92c5 [0,1,0,0,0,0|3,0,0]=4 41 B14R0.600 CC[C@@H](CO)NCCC(=O)N(CC)CC c8b5e7a65dd0b8d61b079c269b1b4367 [0,1,0,0,0,0|3,0,0]=4 42 B14R0.600 CC[C@H](CO)NCCC(=O)N(CC)CC 33c874e6ce68a5e2c36a83b1616a00a2 [0,1,0,0,0,0|3,0,0]=4 43 B14R0.2054 CCC(COC)NCCCN(CC)CC 5bcdc235d16249e485ad3a70b1b36c35 [0,1,0,0,0,0|3,0,0]=4 44 B14R0.2054 CCCC(CO)NCCCN(CC)CC ad2cd7e575fba050e3e2de608abe23a0 [0,1,0,0,0,0|3,0,0]=4 45 B14R0.2054 CCC[C@@H](CO)NCCCN(CC)CC 0c0731908fc878fc8dd39896abacc826 [0,1,0,0,0,0|3,0,0]=4 46 B14R0.2054 CCC[C@H](CO)NCCCN(CC)CC a56cb34531c903696336c1240db3b254 [0,1,0,0,0,0|3,0,0]=4 47 B14R0.2054 CCN(CC)CCCNC(CO)CCO 5b43728fb54389c5dfae1d36275e25cd [0,1,0,0,0,0|3,0,0]=4 48 B14R0.2054 CCN(CC)CCCNC(CO)COC be118b0e962c913c5a182dce40a78508 [0,1,0,0,0,0|3,0,0]=4 49 B14R0.2054 CCN(CC)CCCNC(CO)CSC 359e47c20111dd5683518de6e4eba7d5 [0,1,0,0,0,0|3,0,0]=4 50 B14R0.2054 CCN(CC)CCCN[C@@H](CO)CCO 1ecdcb15e7b5d8f319c8f59f37f7dec0 [0,1,0,0,0,0|3,0,0]=4 51 B14R0.2200 CCC(CC)CCC(=O)NC(CC)CO da810b7fe9ce6b8dc37abc093b58ef0b [0,1,0,0,0,0|2,0,1]=4 52 B14R0.2200 CCC(CC)CCC(=O)N[C@@H](CC)CO ed29d8a485c2c12ce9fec585811fccd1 [0,1,0,0,0,0|2,0,1]=4 53 B14R0.2200 CCC(CC)CCC(=O)N[C@H](CC)CO 7a9500cd96d3a0c77518b2e71ca96672 [0,1,0,0,0,0|2,0,1]=4 54 B14R0.2200 CCC(CC)OCC(=O)N[C@@H](CC)CO a8ab36dd4e5850e51ce8fd6a8a1dab0f [0,1,0,0,0,0|2,0,1]=4 55 B14R0.2200 CCC(CC)OCC(=O)N[C@H](CC)CO 348bc943436bc0fd7bdc90d94007bfab [0,1,0,0,0,0|2,0,1]=4 56 B14R0.2200 CCC(CO)CNC(=O)NC(CC)CO 46eb28eef613179f2d96d6a04481313f [0,1,0,0,0,0|2,0,1]=4 57 B14R0.2200 CCC(CO)CNC(=O)N[C@@H](CC)CO b796d771fada1f8758bcc0cc92214ad4 [0,1,0,0,0,0|2,0,1]=4 58 B14R0.2200 CCC(CO)CNC(=O)N[C@H](CC)CO ac1002a5100ee051b2d478453935923a [0,1,0,0,0,0|2,0,1]=4 59 B14R0.2200 CCC(CO)CNC(=S)NC(CC)CO ff294c10027bf6667d0d0e29adfd3b1f [0,1,0,0,0,0|2,0,1]=4 60 B14R0.2200 CCC(CO)CNC(=S)N[C@@H](CC)CO 3ab0e1a8eb3a4349ae69df88803f39b9 [0,1,0,0,0,0|2,0,1]=4 61 B14R0.2200 CCC(CO)CNC(=S)N[C@H](CC)CO 27f756704f8d9fb62e5e3d6757ac5386 [0,1,0,0,0,0|2,0,1]=4 62 B14R0.2200 CCC(CO)NC(=O)COC(CC)CC 5c1644f19af4370c1e7490555c55447f [0,1,0,0,0,0|2,0,1]=4 63 B14R0.2293 CCN(CC)CCCNC(CO)C(C)C 11d07bcca2797dd41efd3d001d9a0c26 [0,1,0,0,0,0|3,0,0]=4 64 B14R0.2293 CCN(CC)CCCNC(CO)C(C)O 760aee71e4e3dcc082cb02f9c71fbfed [0,1,0,0,0,0|3,0,0]=4 65 B14R0.2293 CCN(CC)CCCN[C@@H](CO)C(C)C ea887870eac69831be83acf6e84a8c2d [0,1,0,0,0,0|3,0,0]=4 66 B14R0.2293 CCN(CC)CCCN[C@@H](CO)[C@@H](C)O a60be91d23646830d7656c856aece005 [0,1,0,0,0,0|3,0,0]=4 67 B14R0.2293 CCN(CC)CCCN[C@@H](CO)[C@H](C)O b380421b4b8dcaaec71a527493056de7 [0,1,0,0,0,0|3,0,0]=4 68 B14R0.2293 CCN(CC)CCCN[C@H](CO)C(C)C cfbf28f879178aa18231e8ac631ad4ee [0,1,0,0,0,0|3,0,0]=4 69 B14R0.2293 CCN(CC)CCCN[C@H](CO)[C@@H](C)O 4c469db700a7c708b5c08069ef626499 [0,1,0,0,0,0|3,0,0]=4 70 B14R0.2293 CCN(CC)CCCN[C@H](CO)[C@H](C)O 1cb685c52be5142b61f309c045492045 [0,1,0,0,0,0|3,0,0]=4 71 B14R0.2293 CC[C@@H](NCCCN(CC)CC)[C@@H](C)O bea385605fed70d1440f662485092d2b [0,1,0,0,0,0|3,0,0]=4 72 B14R0.2293 CC[C@@H](NCCCN(CC)CC)[C@H](C)O 9d374eeb0726aad82876b657b5a92ac7 [0,1,0,0,0,0|3,0,0]=4 73 B14R0.2293 CC[C@H](NCCCN(CC)CC)[C@@H](C)O e04622e9ef6bf2de80bf6199c3d4145e [0,1,0,0,0,0|3,0,0]=4 74 B14R0.4160 CCN(CC)CCCNC(C)(CC)CO 5bbb27bdf54a75551d1e6418d248cdbb [0,1,0,0,0,0|3,0,0]=4 75 B14R1.6 C#CC1CCC(CC1)NC(CC)CO e1d4602e1b4e0a10d6cea6535fdb1d67 [0,0,0,1,0,0|2,0,1]=4 76 B14R1.6 C=C[C@@H](CO)NC1CCC(CC1)CO 2049a82184789fb8a6aaded6fdb38604 [0,0,0,1,0,0|1,0,2]=4 77 B14R1.6 CCC(C=O)NC1CCC(CC1)CO 72bb523e597ac3370943e2575a6e8fb5 [0,0,0,1,0,0|1,0,2]=4 78 B14R1.6 CCC(C=O)N[C@H]1CC[C@@H](CC1)CO 4660e746109925a2f54a68d91cd49cef [0,0,0,1,0,0|1,0,2]=4 79 B14R1.6 CCC(C=O)N[C@H]1CC[C@H](CC1)CO 06a902da01c1f9c3a7bd6c4b78b6f6d3 [0,0,0,1,0,0|1,0,2]=4 80 B14R1.6 CCC(CC)NC1CCC(CC1)CO 2a95c5340b5f768a30ead7f4d149196b [0,0,0,1,0,0|2,0,0]=3 81 B14R1.6 CCC(CC)N[C@H]1CC[C@@H](CC1)CO 3abd5f71dc34cce5cfcbc8dd1a011e15 [0,0,0,1,0,0|2,0,0]=3 82 B14R1.6 CCC(CC)N[C@H]1CC[C@H](CC1)CO 2efcc2e1df8b9fe906aba7aa613a97a2 [0,0,0,1,0,0|2,0,0]=3 83 B14R1.6 CCC(CO)CN1CCC(CC1)CO a63ffd481455d69c915126d5726f9e7f [0,0,0,1,0,0|3,0,0]=4 84 B14R1.6 CCC(CO)NC1CCC(CC1)C#N 4a4a931a5c470adad74255735aea1939 [0,0,0,1,0,0|2,0,1]=4 85 B14R1.6 CCC(CO)NC1CCC(CC1)C=O f8cdd55ef8d4b72358617ee6eca63353 [0,0,0,1,0,0|1,0,2]=4 86 B14R1.6 CCC(CO)NC1CCC(CC1)CO 8d88fed3635ecccdab9aecab245b3f85 [0,0,0,1,0,0|1,0,0]=2 87 B14R1.6 CCC(CO)NC1CCC(CC1)OC 339b47f26687fc25b38019f8d23b40ec [0,0,0,1,0,0|3,0,0]=4 88 B14R1.6 CCC(CO)NC1CCN(CC1)CC 4929403639e9a12f8ec793fc17cc7cbf [0,0,0,1,0,0|3,0,0]=4 89 B14R1.6 CCC(CO)N[C@H]1CC[C@@H](CC1)C#N a6aa213abe71ecf49f9028a50c1d3501 [0,0,0,1,0,0|2,0,1]=4 90 B14R1.6 CCC(CO)N[C@H]1CC[C@@H](CC1)CO ff8b53e77ecc268cdddad2cb44c3dfc5 [0,0,0,1,0,0|1,0,0]=2 91 B14R1.6 CCC(CO)N[C@H]1CC[C@@H](CC1)OC f2002238e8f94573ca4627301d30bc66 [0,0,0,1,0,0|3,0,0]=4 92 B14R1.6 CCC(CO)N[C@H]1CC[C@H](CC1)CO 5841579ca9c0943aa15ed987d63bf359 [0,0,0,1,0,0|1,0,0]=2 93 B14R1.6 CCC(CO)N[C@H]1CC[C@H](CC1)OC 2ac0f4d7007986330e5aef5875961e22 [0,0,0,1,0,0|3,0,0]=4 94 B14R1.6 CCC1CCC(CC1)NC(CC)CC 3cc07d2f09ba5bc9aafe190efdc8796b [0,0,0,1,0,0|3,0,0]=4 95 B14R1.6 CCC1CCC(CC1)NC(CC)CO 7648f11ac7911a662048bb61479db30a [0,0,0,1,0,0|2,0,0]=3 96 B14R1.6 CCC1CCC(CC1)NC(CO)CO 58685c84bc45116ec918c130f30ad8d2 [0,0,0,1,0,0|3,0,0]=4 97 B14R1.6 CC[C@@H](CO)NC1CCC(CC1)C=O a41728a500a334a38f14c2b3715d5dce [0,0,0,1,0,0|1,0,2]=4 98 B14R1.6 CC[C@@H](CO)NC1CCC(CC1)CO 96047d62f90398b404770cf09b21af65 [0,0,0,1,0,0|1,0,0]=2 99 B14R1.6 CC[C@H](CO)NC1CCC(CC1)C=O 53193d1d4700acea6e8aacfb97ff5b98 [0,0,0,1,0,0|1,0,2]=4 100 B14R1.6 CC[C@H](CO)NC1CCC(CC1)CO ef89801f057c37a4183b5fb3075dcf53 [0,0,0,1,0,0|1,0,0]=2 101 B14R1.6 OCC(CO)N[C@H]1CC[C@@H](CC1)CO a0278dff935bf4aa02835476b5b52014 [0,0,0,1,0,0|2,0,0]=3 102 B14R1.6 OCC(CO)N[C@H]1CC[C@H](CC1)CO a44ed9341247e85b0be08337f6386046 [0,0,0,1,0,0|2,0,0]=3 103 B14R1.6 OCC1CCC(CC1)NC(CF)CF 67997510117e8ad4a55c4e54449eed7a [0,0,0,1,0,0|3,0,0]=4 104 B14R1.6 OCC1CCC(CC1)NC(CO)CO ddedf6238879c82e4052b3be4e4ca93e [0,0,0,1,0,0|2,0,0]=3 105 B14R1.6 OC[C@H]1CC[C@@H](CC1)NC(CF)CF 9a32f2ac4883ef5bc231fb6fadd3361b [0,0,0,1,0,0|3,0,0]=4 106 B14R1.6 OC[C@H]1CC[C@H](CC1)NC(CF)CF b0a4f2bf69d273ed7b231347a6b3ab0a [0,0,0,1,0,0|3,0,0]=4 107 B14R1.394 C=C[C@@H](CO)NCCOC1CCOC1 c67f49feb59790fd156fa5d4e0398268 [0,0,0,1,0,0|1,0,2]=4 108 B14R1.394 CCC(C=O)NCCCC1CCOC1 a0d41de35d4a00d029495b4b980790f4 [0,0,0,1,0,0|1,0,2]=4 109 B14R1.394 CCC(CC)NCCCC1CCCC1 4f440e3fc40b2691635dc43f9b10fc0b [0,0,0,1,0,0|3,0,0]=4 110 B14R1.394 CCC(CC)NCCCC1CCOC1 9c788704a9d8ee5e92f577b5b0c9af8a [0,0,0,1,0,0|2,0,0]=3 111 B14R1.394 CCC(CC)NCCOC1CCCC1 b007cd41a02365e85240e16cd5504a98 [0,0,0,1,0,0|3,0,0]=4 112 B14R1.394 CCC(CC)NCCOC1CCOC1 833d3f8f7c501f01bfa433fe19f0f4a2 [0,0,0,1,0,0|2,0,0]=3 113 B14R1.394 CCC(CC)NCCSC1CCCC1 ba5e3625167cf4c05daf018ac9985b1c [0,0,0,1,0,0|3,0,0]=4 114 B14R1.394 CCC(CC)OCCOC1CCOC1 46b221eecff6e75d0f63ed32ed62b194 [0,0,0,1,0,0|3,0,0]=4 115 B14R1.394 CCC(CO)CNCCC1CCOC1 cb8c3de514909ecfca15cd824fb28f08 [0,0,0,1,0,0|3,0,0]=4 116 B14R1.394 CCC(CO)NCCCC1CCCC1 a3ece2d448b8b468f91ab7636cf8249f [0,0,0,1,0,0|2,0,0]=3 117 B14R1.394 CCC(CO)NCCCC1CCOC1 c3abbb3ce18f97e45bc86ba33e4b172b [0,0,0,1,0,0|1,0,0]=2 118 B14R1.394 CCC(CO)NCCCN1CCCC1 f0ed39d223c3aeeac5e078f1659f3086 [0,0,0,1,0,0|3,0,0]=4 119 B14R1.394 CCC(CO)NCCOC1CCCC1 04912b15f3e1673c61ba4ac873cc2b22 [0,0,0,1,0,0|2,0,0]=3 120 B14R1.394 CCC(CO)NCCOC1CCOC1 0de1902ef6dcb6c04bf6666dbb0a1e4d [0,0,0,1,0,0|1,0,0]=2 121 B14R1.394 CCC(CO)NCCSC1CCCC1 c43e4ac1dc0cd5918c2c4793b4ced912 [0,0,0,1,0,0|2,0,0]=3 122 B14R1.394 CCN(CC)CCCNC1CCOC1 159b9690c7affa8ab1f87cfcaa156252 [0,0,0,1,0,0|3,0,0]=4 123 B14R1.394 CCN(CC)CCCN[C@@H]1CCOC1 6f4821147982cdd5eaeed4345a4b0d66 [0,0,0,1,0,0|3,0,0]=4 124 B14R1.394 CCN(CC)CCCN[C@H]1CCOC1 a22194cd11c9517ca7b4590d1ecbe2ae [0,0,0,1,0,0|3,0,0]=4 125 B14R1.394 CC[C@@H](CO)NCCCC1CCCC1 8d6f9826b88ca138a526e10dcba0a0f6 [0,0,0,1,0,0|2,0,0]=3 126 B14R1.394 CC[C@@H](CO)NCCCN1CCCC1 1b5023c482f5a1b6e895850aa6c29900 [0,0,0,1,0,0|3,0,0]=4 127 B14R1.394 CC[C@@H](CO)NCCOC1CCOC1 7d1f337805839b4836bfaf3a126cc134 [0,0,0,1,0,0|1,0,0]=2 128 B14R1.394 CC[C@H](CO)NCCCC1CCCC1 73758102592021f20b5cd85443db4c8d [0,0,0,1,0,0|2,0,0]=3 129 B14R1.394 CC[C@H](CO)NCCCN1CCCC1 be1393360f4990436970f955770d3c07 [0,0,0,1,0,0|3,0,0]=4 130 B14R1.394 CC[C@H](CO)NCCOC1CCOC1 31ed1b28566dc1f7d04011005abfb098 [0,0,0,1,0,0|1,0,0]=2 131 B14R1.394 FCC(CF)NCCCC1CCOC1 8175f948f509f2dcbb6052b35179eda4 [0,0,0,1,0,0|3,0,0]=4 132 B14R1.394 OCC(CO)NCCCC1CCCC1 7a61676601657086e96451ccd7e52211 [0,0,0,1,0,0|3,0,0]=4 133 B14R1.394 OCC(CO)NCCCC1CCOC1 e26f2ad0eee59bad0c302c8ec9b32747 [0,0,0,1,0,0|2,0,0]=3 134 B14R1.394 OCC(CO)NCCOC1CCCC1 079c1feeaad6c89cbf7a0ac6e83975e0 [0,0,0,1,0,0|3,0,0]=4 135 B14R1.394 OCC(CO)NCCOC1CCOC1 2dadcf69937971ef5c08cb6e3fc74cb1 [0,0,0,1,0,0|2,0,0]=3 136 B14R1.394 OCC(CO)NCCSC1CCCC1 712acc17fa13146393b576b208fbb028 [0,0,0,1,0,0|3,0,0]=4 137 B14R1.1730 CC1C(CCCN1C(CF)CF)CO d9849c57f26bf27a148eae63279ac71d [0,0,0,1,0,0|3,0,0]=4 138 B14R1.1730 CC1C(CCCN1C(CO)CO)CO d521bd087d0292ba0311ee165369419d [0,0,0,1,0,0|2,0,0]=3 139 B14R1.1730 CCC(C=O)N1CCCC(C1C)CO 2a7e0b30859fbe7c84ea4572deab657e [0,0,0,1,0,0|1,0,2]=4 140 B14R1.1730 CCC(C=O)N1CCC[C@@H]([C@@H]1C)CO 3e3a22d79834eb07a186774a9686083b [0,0,0,1,0,0|1,0,2]=4 141 B14R1.1730 CCC(C=O)N1CCC[C@@H]([C@H]1C)CO 3f4b3deae351c62a2144fcbd187ce2df [0,0,0,1,0,0|1,0,2]=4 142 B14R1.1730 CCC(C=O)N1CCC[C@H]([C@H]1C)CO ac6e26a6bf9086e48c02cd20a09e8374 [0,0,0,1,0,0|1,0,2]=4 143 B14R1.1730 CCC(CC)N1CCCC(C1C)CO c49f7132efcfea6dbbff1b2741ed7a81 [0,0,0,1,0,0|2,0,0]=3 144 B14R1.1730 CCC(CC)N1CCC[C@@H]([C@@H]1C)CO f1360f57f0f62e8efdc51ac9d913b6bc [0,0,0,1,0,0|2,0,0]=3 145 B14R1.1730 CCC(CC)N1CCC[C@@H]([C@H]1C)CO 7fdbdcdda00fea49bb82c376f1c10242 [0,0,0,1,0,0|2,0,0]=3 146 B14R1.1730 CCC(CC)N1CCC[C@H]([C@H]1C)CO 4707f068f84eb7a95834765a17f320ca [0,0,0,1,0,0|2,0,0]=3 147 B14R1.1730 CCC(CO)N1CCCC(C1C)CO 103efd894b8fe475bf3bd1708542aeb7 [0,0,0,1,0,0|1,0,0]=2 148 B14R1.1730 CCC(CO)N1CCC[C@@H]([C@@H]1C)CO 602bcaa041025d2813578cc5c9864457 [0,0,0,1,0,0|1,0,0]=2 149 B14R1.1730 CCC(CO)N1CCC[C@@H]([C@H]1C)CO 80a420e641704683b718d424e683bc04 [0,0,0,1,0,0|1,0,0]=2 150 B14R1.1730 CCC(CO)N1CCC[C@H]([C@H]1C)CO 872ac86866b1d129ae2a1f3400c4d542 [0,0,0,1,0,0|1,0,0]=2 151 B14R1.1730 C[C@@H]1[C@@H](CCCN1C(CF)CF)CO 8e61d07e3190ac50bbc49b5aca98d192 [0,0,0,1,0,0|3,0,0]=4 152 B14R1.1730 C[C@@H]1[C@@H](CCCN1C(CO)CO)CO 4fe7aaed959b0011a484cbdbd2a79725 [0,0,0,1,0,0|2,0,0]=3 153 B14R1.1730 C[C@@H]1[C@H](CCCN1C(CF)CF)CO 64df6ddb86fc1a1693d6bb44c136acfd [0,0,0,1,0,0|3,0,0]=4 154 B14R1.1730 C[C@@H]1[C@H](CCCN1C(CO)CO)CO 45e734e7c7c265934c9ec910eda9a48c [0,0,0,1,0,0|2,0,0]=3 155 B14R1.1730 C[C@H]1[C@H](CCCN1C(CF)CF)CO b070e1cf22e63acc1e74f98479a94e91 [0,0,0,1,0,0|3,0,0]=4 156 B14R1.1730 C[C@H]1[C@H](CCCN1C(CO)CO)CO 92cf0eefd59ad0b6fe94a1f72a92b3a8 [0,0,0,1,0,0|2,0,0]=3 157 B14R1.1797 CCC(CO)N1CCCC(CC1)C#N b9d9f0892ff4f1b69f637a4d73eb266f [0,0,0,1,0,0|2,0,1]=4 158 B14R1.1797 CCC(CO)N1CCCC(CC1)OC 9b3526e21fb5035a6ff9e7812684b3db [0,0,0,1,0,0|3,0,0]=4 159 B14R1.1797 CCC(CO)N1CCCN(CC1)CC d00d6d824790bf31ce7bd2106e6d9fe9 [0,0,0,1,0,0|3,0,0]=4 160 B14R1.1797 CCC(CO)N1CCC[C@@H](CC1)OC 301344b831a26e45ff2c492b2a02e942 [0,0,0,1,0,0|3,0,0]=4 161 B14R1.1797 CCC(CO)N1CCC[C@H](CC1)OC 87fd940c78c53aa22c22aa1a98377224 [0,0,0,1,0,0|3,0,0]=4 162 B14R1.1797 CCC1CCCN(CC1)C(CC)CC 3f4cbfb1304e3e80059a2440ce81f376 [0,0,0,1,0,0|3,0,0]=4 163 B14R1.1797 CCC1CCCN(CC1)C(CC)CO 13989e62cd626e124229f2a5f8e8f8f7 [0,0,0,1,0,0|2,0,0]=3 164 B14R1.1797 CCC1CCCN(CC1)C(CO)CO 7977fa13cca4d3540625ee53050d4d89 [0,0,0,1,0,0|3,0,0]=4 165 B14R1.3428 CCC(CO)CNC1CCC(C1)CO 5b3b75ad7cd66a104446eaa506a78083 [0,0,0,1,0,0|3,0,0]=4 166 B14R1.3428 CCC(CO)CN[C@@H]1CC[C@@H](C1)CO 0e39710eb873f87d0192941362ab69f4 [0,0,0,1,0,0|3,0,0]=4 167 B14R1.3428 CCC(CO)CN[C@@H]1CC[C@H](C1)CO 07d48e03df21024407e039db61ae43b2 [0,0,0,1,0,0|3,0,0]=4 168 B14R1.3428 CCC(CO)CN[C@H]1CC[C@@H](C1)CO ab280bd9a0e43ec963bb4a4c459cd483 [0,0,0,1,0,0|3,0,0]=4 169 B14R1.3428 CCC(CO)CN[C@H]1CC[C@H](C1)CO eb02039b3617f6f90c5b7827ca435349 [0,0,0,1,0,0|3,0,0]=4 170 B14R1.3428 CCC(CO)NCC1CCN(C1)CC eb6391f5902e5e9a23672d70fa2313e0 [0,0,0,1,0,0|3,0,0]=4 171 B14R1.3428 CCC(CO)NC[C@@H]1CCN(C1)CC 5b2632fcaadd4d7b6daa8a4b3ccbc9d6 [0,0,0,1,0,0|3,0,0]=4 172 B14R1.3428 CC[C@@H](CO)NCC1CCN(C1)CC eb0bdeb4812b60e5f9de73758044b14f [0,0,0,1,0,0|3,0,0]=4 173 B14R1.3428 CC[C@H](CO)NCC1CCN(C1)CC 627aea557c1902671bf5b1367fb25985 [0,0,0,1,0,0|3,0,0]=4 174 B14R1.3591 CCN(CC)CCCN1CCC1CO 13696cd7223c85c0b28c650b5fc5d0c1 [0,0,0,1,0,0|3,0,0]=4 175 B14R1.3591 CCN(CC)CCCN1CC[C@@H]1CO c9661aee906d005d7fe93852b206dbf7 [0,0,0,1,0,0|3,0,0]=4 176 B14R1.3591 CCN(CC)CCCN1CC[C@H]1CO 6246114012ac499fcfd281f6b2894d0d [0,0,0,1,0,0|3,0,0]=4 177 B14R1.4396 CCN(CC)CCCNC1CCC1O 9ef169147b2302b82d6d19aaca23362f [0,0,0,1,0,0|3,0,0]=4 178 B14R1.4396 CCN(CC)CCCNC1COC1C a5523b301eb1f409643c3addbe943067 [0,0,0,1,0,0|3,0,0]=4 179 B14R1.4396 CCN(CC)CCCN[C@@H]1CC[C@@H]1O 6ec6629e9ffff25fbf5b6585284bcd95 [0,0,0,1,0,0|3,0,0]=4 180 B14R1.4396 CCN(CC)CCCN[C@@H]1CC[C@H]1O 488fc4c5b5e57f15031ae7ad0104cb63 [0,0,0,1,0,0|3,0,0]=4 181 B14R1.4396 CCN(CC)CCCN[C@H]1CC[C@@H]1O dd09f0cb9b5dc0e131381249ef83a2f0 [0,0,0,1,0,0|3,0,0]=4 182 B14R1.4396 CCN(CC)CCCN[C@H]1CC[C@H]1O 7fe23954d4e6a59bbc1da6efabc0dc4c [0,0,0,1,0,0|3,0,0]=4 183 B14R1.6145 CCC(CC)NCC1CC1(CC)CC 3d6c8735e6316aa063dda5ddfba6ede8 [0,0,0,1,0,0|3,0,0]=4 184 B14R1.6145 CCC(CO)NCC1CC1(CC)CC 3824ee8001bc00b467ef3092d6199692 [0,0,0,1,0,0|2,0,0]=3 185 B14R1.6145 CCC1(CC1CNC(CO)CO)CC 491977f3b5288c8777d073698ccb696e [0,0,0,1,0,0|3,0,0]=4 186 B14R1.6286 CCC(C=O)N1CCCC1(CC)CO e5328ff542415c032d2f81d751832a1e [0,0,0,1,0,0|1,0,2]=4 187 B14R1.6286 CCC(CO)N1CCCC1(CC)CO 4e2d4c022269430639cb6e3e2ae02438 [0,0,0,1,0,0|1,0,0]=2 188 B14R1.6286 CCC1(CCCN1C(CO)CO)CO 9f4931f5a7d6c8086bdbf376f84583bd [0,0,0,1,0,0|2,0,0]=3 189 B14R1.12632 CCC(CO)CN1CCC(C1C)CO a9ca787a7f21402aefe8bb67698bd021 [0,0,0,1,0,0|3,0,0]=4 190 B14R1.12632 CCC(CO)CN1CC[C@@H]([C@@H]1C)CO da0671e64c7f0c672598ecf9fc99b5cf [0,0,0,1,0,0|3,0,0]=4 191 B14R1.12632 CCC(CO)CN1CC[C@H]([C@@H]1C)CO ed329a6cff1c3f9fdd6a2109af4cd99f [0,0,0,1,0,0|3,0,0]=4 192 B14R1.16096 CCC(CO)CNCCC1(CC1)CO 8f542201c02e458f064415183c46d13c [0,0,0,1,0,0|3,0,0]=4 193 B14R1.16096 CCN(CC)CCCNC1(CC1)CO 40cccf67fd3ef9be017cabf651450912 [0,0,0,1,0,0|3,0,0]=4 194 B12R0.334 CCC(C=O)NCCC(CO)CO b78bdbe157a4271f0f473a967499d0ac [0,0,0,0,1,0|1,0,2]=4 195 B12R0.334 CCC(CC)CCNC(C=O)CC 1e345ec9a9222e103e2d0f3ff9b72080 [0,0,0,0,1,0|1,0,2]=4 196 B12R0.334 CCC(CC)CCNC(CC)CC c2d92ea6b59fe234a22f9f430e8834b3 [0,0,0,0,1,0|2,0,0]=3 197 B12R0.334 CCC(CC)CCNC(CC)CO c252baa027c5c353392761a192488458 [0,0,0,0,1,0|1,0,0]=2 198 B12R0.334 CCC(CC)CCNC(CO)CO 7b4dad97c8e1b76b348ea0350f88c43f [0,0,0,0,1,0|2,0,0]=3 199 B12R0.334 CCC(CC)CNCC(CC)CO 172209920a2eb743a856858decf46b0f [0,0,0,0,1,0|3,0,0]=4 200 B12R0.334 CCC(CC)NCCC(CO)CO 0d277130ca351bd893b9081c5fb01774 [0,0,0,0,1,0|2,0,0]=3 201 B12R0.334 CCC(CC)NCCN(CC)CC dea48faab0236b3289a46f107c2c1432 [0,0,0,0,1,0|3,0,0]=4 202 B12R0.334 CCC(CO)CNCC(CC)CO 0ab3646165acfe8eca9b282e55c85398 [0,0,0,0,1,0|2,0,0]=3 203 B12R0.334 CCC(CO)CNCC(CO)CO 980b5da3e9545b4067bce1017e6283b0 [0,0,0,0,1,0|3,0,0]=4 204 B12R0.334 CCC(CO)CNC[C@H](CO)OC 248de22f236245d4df17c0e6a5228638 [0,0,0,0,1,0|3,0,0]=4 205 B12R0.334 CCC(CO)NCCC(CO)CO 1a98e0cf1fa4d04734a59c64332fc021 [0,0,0,0,1,0|1,0,0]=2 206 B12R0.334 CCC(CO)NCCC(OC)OC 5dd94269bc435c99cda06607561f0bdb [0,0,0,0,1,0|3,0,0]=4 207 B12R0.334 CCC(CO)NCCN(CC)CC fe897e00b7981886a6340e51eb48ffc7 [0,0,0,0,1,0|2,0,0]=3 208 B12R0.334 CCN(CC)CCNC(CO)CO 7109595f9fb9bcac99986df35f082097 [0,0,0,0,1,0|3,0,0]=4 209 B12R0.334 CC[C@@H](CO)NCCC(OC)OC 3685037f365bf654ba798505341180a9 [0,0,0,0,1,0|3,0,0]=4 210 B12R0.334 CC[C@H](CO)NCCC(OC)OC dfedf4090d09367b0c19ce900893e457 [0,0,0,0,1,0|3,0,0]=4 211 B12R0.334 OCC(CO)CCNC(CO)CO 3dc90544902079e588f2bbfd9b0e5d9e [0,0,0,0,1,0|2,0,0]=3 212 B14R0.2143 CCC(CC)NCCCCC(CO)CO 5d1a9404b8bd51cbd9c09037b4ad35fe [0,0,0,0,0,1|3,0,0]=4 213 B14R0.2143 CCC(CO)CNCCCN(CC)CC bf5a49ab3c31b7d564da371b95c3ecfb [0,0,0,0,0,1|3,0,0]=4 214 B14R0.2143 CCC(CO)NCCCCC(CO)CO f4e4c60fd19f86ae29c1ee7dbf72474c [0,0,0,0,0,1|2,0,0]=3 215 B14R0.2143 CCC(CO)NCCCCN(CC)CC ae56b8c5de0166764162d7a646fef0ad [0,0,0,0,0,1|3,0,0]=4 216 B14R0.2143 OCC(CO)CCCCNC(CO)CO 298b72ede01843aa1d884b1bb55debb4 [0,0,0,0,0,1|3,0,0]=4 217 B11R0.22 CC(C)CCCNC(CO)CO 591d1c41cbd9caa97c0664d2e0e861d5 [2,0,0,0,0,0|2,0,0]=4 218 B11R0.22 CC(C)OCCNC(CO)CO 1acc2f4e083798a035387cc54143583b [2,0,0,0,0,0|2,0,0]=4 219 B11R0.22 CC(C)SCCNC(CO)CO 075bbd9707a2a994c5eb4c3b0866ad51 [2,0,0,0,0,0|2,0,0]=4 220 B11R0.22 CC(O)CCCNC(CO)CO 55cbdf72a923448591006cf0f7088752 [2,0,0,0,0,0|2,0,0]=4 221 B11R0.22 CCC(CC)NCCCC(C)C d5b67a6375e91b729c6debfdb401b284 [2,0,0,0,0,0|2,0,0]=4 222 B11R0.22 CCC(CC)NCCCC(C)O 127c7a710cdb7a70b595311b90a44b97 [2,0,0,0,0,0|2,0,0]=4 223 B11R0.22 CCC(CC)NCCOC(C)C 0c7fafe36cfbc864acb7bff595dbc778 [2,0,0,0,0,0|2,0,0]=4 224 B11R0.22 CCC(CC)NCCSC(C)C 604910ae074fe8c6a0993854e1ac37ab [2,0,0,0,0,0|2,0,0]=4 225 B11R0.22 CCC(CO)NC/C=C/C(C)C a0fd8400889b17e75fe3d7413cc3c3fc [2,0,0,0,0,0|1,0,1]=4 226 B11R0.22 CCC(CO)NCCC=C(C)C 7dc3a2efa99474146abe93786241e5c3 [2,0,0,0,0,0|1,0,1]=4 227 B11R0.22 CCC(CO)NCCCC(C)C 490ff3f8bd312d9d81e6651229f67f4a [2,0,0,0,0,0|1,0,0]=3 228 B11R0.22 CCC(CO)NCCCC(C)O b2270d13244e406cee5f0549ac67fe8a [2,0,0,0,0,0|1,0,0]=3 229 B11R0.22 CCC(CO)NCCCN(C)C 078ef81bf4fa55a88a5e95148fc9cf91 [2,0,0,0,0,0|2,0,0]=4 230 B11R0.22 CCC(CO)NCCNC(=O)C 30eafd92a537bde8154f32363baa7b3f [2,0,0,0,0,0|0,0,2]=4 231 B11R0.22 CCC(CO)NCCOC(C)C a29c2f2808c2ab2edda2b194b779b2bc [2,0,0,0,0,0|1,0,0]=3 232 B11R0.22 CCC(CO)NCCSC(C)C bd9bcfa7d75bc27ba355d503fd03960d [2,0,0,0,0,0|1,0,0]=3 233 B11R0.22 CC[C@@H](CO)NC/C=C/C(C)C f9b6d15a6492f453f091da520aff34f0 [2,0,0,0,0,0|1,0,1]=4 234 B11R0.22 CC[C@@H](CO)NCCC=C(C)C c11a6ad0fca96e5542526f8acf5b6543 [2,0,0,0,0,0|1,0,1]=4 235 B11R0.22 CC[C@@H](CO)NCCCC(C)C 18c37b927cd18a6beaabb0d732a0dc6c [2,0,0,0,0,0|1,0,0]=3 236 B11R0.22 CC[C@@H](CO)NCCCC(C)O d471bebdb34806b9c6849768f6dc32ca [2,0,0,0,0,0|1,0,0]=3 237 B11R0.22 CC[C@@H](CO)NCCCN(C)C e7a5a3aedd7e25d1357f81b445020b4f [2,0,0,0,0,0|2,0,0]=4 238 B11R0.22 CC[C@@H](CO)NCCNC(=O)C b43b36ab7544751d38385563a8501820 [2,0,0,0,0,0|0,0,2]=4 239 B11R0.22 CC[C@@H](CO)NCCOC(C)C 8e21260c841a79b32c6382ccdd3c7280 [2,0,0,0,0,0|1,0,0]=3 240 B11R0.22 CC[C@@H](CO)NCCSC(C)C 0bbb2a128c5d659b1ff35636fde3bebd [2,0,0,0,0,0|1,0,0]=3 241 B11R0.22 CC[C@H](CO)NC/C=C/C(C)C 62245aef4a3ed22b8a73749e21cf1a1d [2,0,0,0,0,0|1,0,1]=4 242 B11R0.22 CC[C@H](CO)NCCC=C(C)C feeb8d8f7bf7c96c3c768efe741bb85a [2,0,0,0,0,0|1,0,1]=4 243 B11R0.22 CC[C@H](CO)NCCCC(C)C 6bff4d34bd317a5783f2be888c871c54 [2,0,0,0,0,0|1,0,0]=3 244 B11R0.22 CC[C@H](CO)NCCCC(C)O 37dbe9e2911d6b2a185b9ce4de2d8f7a [2,0,0,0,0,0|1,0,0]=3 245 B11R0.22 CC[C@H](CO)NCCCN(C)C 467860f08c78236e403642bf5b83bc92 [2,0,0,0,0,0|2,0,0]=4 246 B11R0.22 CC[C@H](CO)NCCNC(=O)C 6ee850bebe7c42e9c2f0504d6e4af7c8 [2,0,0,0,0,0|0,0,2]=4 247 B11R0.22 CC[C@H](CO)NCCOC(C)C 5b1b6a2f5a595fb5499e96580e9b5bcf [2,0,0,0,0,0|1,0,0]=3 248 B11R0.22 CC[C@H](CO)NCCSC(C)C 39ee4846d50e6817a38c33549635b86d [2,0,0,0,0,0|1,0,0]=3 249 B11R0.106 CC(CO)CCCNC(C)CO cc470b75feff7bf0c3ef217875e5f4cd [2,0,0,0,0,0|1,0,0]=3 250 B11R0.106 CC(CO)CCCN[C@@H](C)CO 67a78b71842dd851cca66723fbf023cc [2,0,0,0,0,0|1,0,0]=3 251 B11R0.106 CC(CO)CCCN[C@H](C)CO 0fe855cac16c786eb86df011cb2c6572 [2,0,0,0,0,0|1,0,0]=3 252 B11R0.106 CCC(=O)NCCNC(C)CC c19ce562c189cf20a9e164027f672ff6 [2,0,0,0,0,0|0,0,2]=4 253 B11R0.106 CCC(=O)NCCNC(C)CO 666b1243ffcf82a72f078549bc404f37 [2,0,0,0,0,0|0,0,2]=4 254 B11R0.106 CCC(=O)NCCN[C@@H](C)CO c6648dc44478ca75697f08c69257b604 [2,0,0,0,0,0|0,0,2]=4 255 B11R0.106 CCC(=O)NCCN[C@H](C)CO c88a088309bd78bdf2dd14e4f1929843 [2,0,0,0,0,0|0,0,2]=4 256 B11R0.106 CCC(C)CCCOC(C)CC 877dbff3613f08c83570ee3db82e576c [2,0,0,0,0,0|2,0,0]=4 257 B11R0.106 CCC(C)NCCCC(C)CO 31b36d22d11b5d066ee68883f2af7cfe [2,0,0,0,0,0|1,0,0]=3 258 B11R0.106 CCC(C)NCCCN(C)CC 4d965ca5af157778c029fab0192531fa [2,0,0,0,0,0|2,0,0]=4 259 B11R0.106 CCC(C)OCCC[C@@H](C)CC 36cdaa0d803eb89690f77cfa671545ca [2,0,0,0,0,0|2,0,0]=4 260 B11R0.106 CCN(C)CCCNC(C)CO 7c54b543b5e3c037b505c52b812039bd [2,0,0,0,0,0|2,0,0]=4 261 B11R0.106 CCN(C)CCCN[C@@H](C)CO 7f7c0c3c89c01ef8dfd7328728a4febe [2,0,0,0,0,0|2,0,0]=4 262 B11R0.106 CCN(C)CCCN[C@H](C)CO fd4e7d61c638ba989c2d47f3277d5ea0 [2,0,0,0,0,0|2,0,0]=4 263 B11R0.124 CC/C=C\CCNC(CC)CO 121a8c191da54856cd55caba33d1780b [2,0,0,0,0,0|1,0,1]=4 264 B11R0.124 CC/C=C\CCN[C@@H](CC)CO e2852540668ed348deae7c14f97c67fa [2,0,0,0,0,0|1,0,1]=4 265 B11R0.124 CC/C=C\CCN[C@H](CC)CO c5550f752c08f2fff665db98a0837dd8 [2,0,0,0,0,0|1,0,1]=4 266 B11R0.124 CCC(CC)NCCCCCO d44381cc892b6c513d26039bd44ccc58 [2,0,0,0,0,0|2,0,0]=4 267 B11R0.124 CCC(CC)NCCOCCO 2b9e2b1e80e021f2c41127b9ba201bd6 [2,0,0,0,0,0|2,0,0]=4 268 B11R0.124 CCC(CC)NCCSCCO e4d77e18f5a451d0303cf7a9a9ed364f [2,0,0,0,0,0|2,0,0]=4 269 B11R0.124 CCC(CO)NCCCCCCl 06dc4070f04a221f388e70a0015cc4a1 [2,0,0,0,0,0|2,0,0]=4 270 B11R0.124 CCC(CO)NCCCCCF 204d092c62fe71caf5b9224650b98afd [2,0,0,0,0,0|2,0,0]=4 271 B11R0.124 CCC(CO)NCCCCCO ec432b34993bd296b08ee9a5cd705176 [2,0,0,0,0,0|1,0,0]=3 272 B11R0.124 CCC(CO)NCCCCOC f0f8b93c5bd07beee8f35e4f96464d06 [2,0,0,0,0,0|2,0,0]=4 273 B11R0.124 CCC(CO)NCCCCSC 8b577498eff4ba1d9a830bbfa3d85994 [2,0,0,0,0,0|2,0,0]=4 274 B11R0.124 CCC(CO)NCCOCCO 19225878e7113d4944cb61d8c4ac3005 [2,0,0,0,0,0|1,0,0]=3 275 B11R0.124 CCC(CO)NCCOCCS 19419655ea0491ece98429585f29a3b3 [2,0,0,0,0,0|1,1,0]=4 276 B11R0.124 CCC(CO)NCCOCOC ed0f36b29bbfca6d2d3bce1556ca0702 [2,0,0,0,0,0|2,0,0]=4 277 B11R0.124 CCC(CO)NCCSCCO bdbc103dad83bfed63d5f21cc72caf66 [2,0,0,0,0,0|1,0,0]=3 278 B11R0.124 CCC/C=C/CNC(CC)CO 7c2c7bb71e2753204f69bb39677c71ac [2,0,0,0,0,0|1,0,1]=4 279 B11R0.124 CCC/C=C/CN[C@@H](CC)CO de79a49d1f78d65f85408aecf23fb1e3 [2,0,0,0,0,0|1,0,1]=4 280 B11R0.124 CCC/C=C/CN[C@H](CC)CO c82f06ffafe22392fc37d4d28de869c1 [2,0,0,0,0,0|1,0,1]=4 281 B11R0.124 CCC/C=C\CNC(CC)CO 20d330a7c4ee0750d08c5b3d72f1313a [2,0,0,0,0,0|1,0,1]=4 282 B11R0.124 CCC/C=C\CN[C@@H](CC)CO 66998c9956a841dfb789c8df7109ceac [2,0,0,0,0,0|1,0,1]=4 283 B11R0.124 CCC/C=C\CN[C@H](CC)CO 16a7b7de94187c5bf7fe3e62d59f6e16 [2,0,0,0,0,0|1,0,1]=4 284 B11R0.124 CCCCCCNC(CC)CC 759130a4e14a9a05f4bfe8c2ce43125a [2,0,0,0,0,0|2,0,0]=4 285 B11R0.124 CCCCCCNC(CC)CO d76689b329408fff8335d132e8058c87 [2,0,0,0,0,0|1,0,0]=3 286 B11R0.124 CCCCCCNC(CO)CO d5a77f3d7632f00ca0e010a43b0a2392 [2,0,0,0,0,0|2,0,0]=4 287 B11R0.124 CCCCCCN[C@@H](CC)CO f825b21dd451cd6582ecee94b389c59c [2,0,0,0,0,0|1,0,0]=3 288 B11R0.124 CCCCCCN[C@H](CC)CO 3af3789a93eaf824fc809df72e198843 [2,0,0,0,0,0|1,0,0]=3 289 B11R0.124 CCCCOCNC(CC)CO 77ccdd603c55d0ec2e9a96cc52a31a85 [2,0,0,0,0,0|2,0,0]=4 290 B11R0.124 CCCCOCN[C@@H](CC)CO 0d4f8d1b51ac749756d81a34b98990ba [2,0,0,0,0,0|2,0,0]=4 291 B11R0.124 CCCCOCN[C@H](CC)CO da22c4e2693fd2b719bc6fc18720bf70 [2,0,0,0,0,0|2,0,0]=4 292 B11R0.124 CCCOCCNC(CC)CC 2d5672c73be4e8ab4634a0185cf1d369 [2,0,0,0,0,0|2,0,0]=4 293 B11R0.124 CCCOCCNC(CC)CO 9214631176ce0ede883b8b941ab23429 [2,0,0,0,0,0|1,0,0]=3 294 B11R0.124 CCCOCCNC(CO)CO 82f3600a0a6d9bda566e13b21ae012ba [2,0,0,0,0,0|2,0,0]=4 295 B11R0.124 CCCOCCN[C@@H](CC)CO ebac6b4b1357b1e69e8159c739d6c3be [2,0,0,0,0,0|1,0,0]=3 296 B11R0.124 CCCOCCN[C@H](CC)CO c2f36e671f1c5aa0aa196dafdcd23fba [2,0,0,0,0,0|1,0,0]=3 297 B11R0.124 CCOCCCNC(CC)CO e865cdcd7422a9113f11d2c927b16c65 [2,0,0,0,0,0|2,0,0]=4 298 B11R0.124 CCOCCCN[C@@H](CC)CO 54168f0478e7d22cb275afec96f49b29 [2,0,0,0,0,0|2,0,0]=4 299 B11R0.124 CCOCCCN[C@H](CC)CO a8aa060f43b2d774da154411802984bb [2,0,0,0,0,0|2,0,0]=4 300 B11R0.124 CCSCCCNC(CC)CO 40cb8f49a354ac4fc3964932f3ef7a55 [2,0,0,0,0,0|2,0,0]=4 301 B11R0.124 CCSCCCN[C@@H](CC)CO e06daf59325357816d311e3b82add90f [2,0,0,0,0,0|2,0,0]=4 302 B11R0.124 CCSCCCN[C@H](CC)CO 6ba17ffecfb80f6828b198b751311110 [2,0,0,0,0,0|2,0,0]=4 303 B11R0.124 CC[C@@H](CO)NCCCCCF 4f0a1c9a46a985c1f5ffea86abd2b51a [2,0,0,0,0,0|2,0,0]=4 304 B11R0.124 CC[C@@H](CO)NCCCCCO 999ca85a3c5eb688b0714f723f01bc93 [2,0,0,0,0,0|1,0,0]=3 305 B11R0.124 CC[C@@H](CO)NCCCCOC c87a340c43328c981266153de671ca85 [2,0,0,0,0,0|2,0,0]=4 306 B11R0.124 CC[C@@H](CO)NCCOCCO 82a8fa0f8aa0d34e6873e3639a3d2581 [2,0,0,0,0,0|1,0,0]=3 307 B11R0.124 CC[C@@H](CO)NCCOCOC aadfe15a0717a33e54c3d4872afdac04 [2,0,0,0,0,0|2,0,0]=4 308 B11R0.124 CC[C@H](CO)NCCCCCF 8dbb07e07fd63fb4b798674f306c204e [2,0,0,0,0,0|2,0,0]=4 309 B11R0.124 CC[C@H](CO)NCCCCCO db6f09e7dba01656339ba076568efbcb [2,0,0,0,0,0|1,0,0]=3 310 B11R0.124 CC[C@H](CO)NCCCCOC c5798c127cb2958ea0aca6c180b5b7c8 [2,0,0,0,0,0|2,0,0]=4 311 B11R0.124 CC[C@H](CO)NCCOCCO 68eed529012acb9bc1f19ad275f90a04 [2,0,0,0,0,0|1,0,0]=3 312 B11R0.124 CC[C@H](CO)NCCOCOC bb88dd3d6b757b2a8b55197f3912d1f8 [2,0,0,0,0,0|2,0,0]=4 313 B11R0.124 OCCCCCNC(CO)CO 24482236d6775d574319fd8154fdba82 [2,0,0,0,0,0|2,0,0]=4 314 B11R0.124 OCCOCCNC(CO)CO 6d3e84d6240d0966b655ec30eb7008bf [2,0,0,0,0,0|2,0,0]=4 315 B11R0.124 OCCSCCNC(CO)CO ca155e62a94a42085243d9092ab5f20c [2,0,0,0,0,0|2,0,0]=4 316 B13R0.308 CC(CO)CCCN[C@@H](CO)CCO 80205b000c748a74df1e8c0075ee986b [1,1,0,0,0,0|1,0,0]=3 317 B13R0.308 CCC(=O)NCCN[C@@H](CO)CCO ed715d630cd90a16224bed010f3fde70 [1,1,0,0,0,0|0,0,2]=4 318 B13R0.308 CCC(C)CCCO[C@@H](CO)CCO 955bea01bb15bd82a58972c445034e79 [1,1,0,0,0,0|2,0,0]=4 319 B13R0.308 CCCC(CC)NCCCC(C)CO c9a00fee8a36ad96706578c94626b835 [1,1,0,0,0,0|2,0,0]=4 320 B13R0.308 CCN(C)CCCN[C@@H](CO)CCO 829fb6e1e2128a7ed12144b9def7f0ae [1,1,0,0,0,0|2,0,0]=4 321 B13R0.308 CC[C@H](C)CCCO[C@@H](CO)CCO eb2f92ba797261280d53f4ad75794fc0 [1,1,0,0,0,0|2,0,0]=4 322 B13R0.481 CCC(C)CCC(=O)NC(CC)CO ae6376a45b16e2699233def8dba2f268 [1,1,0,0,0,0|1,0,1]=4 323 B13R0.481 CCC(C)CCC(=O)N[C@@H](CC)CO 5897b2bde75c4f79d202ce32e426c486 [1,1,0,0,0,0|1,0,1]=4 324 B13R0.481 CCC(C)CCC(=O)N[C@H](CC)CO 67f4810347e770f9750149d869dbea37 [1,1,0,0,0,0|1,0,1]=4 325 B13R0.481 CCC(C)OCC(=O)N[C@@H](CC)CO 24eb327d03928c4bb8959cadc43ce35d [1,1,0,0,0,0|1,0,1]=4 326 B13R0.481 CCC(C)OCC(=O)N[C@H](CC)CO 46844e173241b81a364063c6717e03ab [1,1,0,0,0,0|1,0,1]=4 327 B13R0.481 CCC(CO)NC(=O)COC(C)CC f369003777bc045079534fd1b285bee5 [1,1,0,0,0,0|1,0,1]=4 328 B13R0.1115 CCC(CO)NCCCN(C)CCO 62c88dfa8bae14a9772eb945c53ba816 [1,1,0,0,0,0|2,0,0]=4 329 B13R0.1121 CCC(CO)NCCCC(C)C(=O)O 8b7d4c9789dc1578303ebeb8c77a5ea8 [1,1,0,0,0,0|1,0,1]=4 330 B13R0.1121 CC[C@@H](CO)NCCCC(C)C(=O)O 79592d7e04663b9b19c41a4032448f35 [1,1,0,0,0,0|1,0,1]=4 331 B13R0.1121 CC[C@H](CO)NCCCC(C)C(=O)O 6bf5e708f1070aca6b7e13c88e70d1ba [1,1,0,0,0,0|1,0,1]=4 332 B13R0.1127 CC(C)(CO)CCCNC(CO)CO a5a2fa33ee8198be9b9c35d626f2e9ad [1,1,0,0,0,0|2,0,0]=4 333 B13R0.1127 CCC(CC)NCCCC(C)(C)CO dc327e58933cdfe1272ee5ffb6ca60aa [1,1,0,0,0,0|2,0,0]=4 334 B13R0.1127 CCC(CO)NCCCC(C)(C)CO 4ec9b07e791bfea491cbc905a732d1d5 [1,1,0,0,0,0|1,0,0]=3 335 B13R0.1220 CC(CO)NC(=O)CNC(CO)CO 6290e103f1f098ed94789177802c0df6 [1,1,0,0,0,0|1,0,1]=4 336 B13R0.1220 CCC(C)NC(=O)CNC(CC)CC 4fdb27c27887ee81f4abe7defadc9bb4 [1,1,0,0,0,0|1,0,1]=4 337 B13R0.1220 CCC(C)NC(=O)CNC(CC)CO 97bb3f63485c1cf9e80ef123c50042d6 [1,1,0,0,0,0|0,0,1]=3 338 B13R0.1220 CCC(C)NC(=O)CNC(CO)CO 974144e61b0bb6b31a869fb1dc026d9c [1,1,0,0,0,0|1,0,1]=4 339 B13R0.1220 CCC(C)NC(=O)CN[C@@H](CC)CO eba0d2ca02bde273fd56534393bd7f5b [1,1,0,0,0,0|0,0,1]=3 340 B13R0.1220 CCC(C)NC(=O)CN[C@H](CC)CO 63831e1a83c81a0a4866ee0d0746c900 [1,1,0,0,0,0|0,0,1]=3 341 B13R0.1220 CCC(CC)NCC(=O)NC(C)CO 0d8979553f0f370839ea5d4b04d09e68 [1,1,0,0,0,0|1,0,1]=4 342 B13R0.1220 CCC(CO)NCC(=O)NC(C)CO 209fa946eb971b27226566a05af0939d [1,1,0,0,0,0|0,0,1]=3 343 B13R0.1220 CCC(CO)NCC(C)CN(C)CC 8dddb8bc3a0b98e3bac6a350a54c9637 [1,1,0,0,0,0|2,0,0]=4 344 B13R0.1220 CC[C@@H](CO)NCC(=O)NC(C)CO 352dc68b8ad9ada21d44d5d5942165bf [1,1,0,0,0,0|0,0,1]=3 345 B13R0.1220 CC[C@H](CO)NCC(=O)NC(C)CO b3eb40095ea12ebc25f0a8717da2e955 [1,1,0,0,0,0|0,0,1]=3 346 B13R0.1239 CCC(C)N(C)CCNC(CO)CO a7bd371f853366d0ebb2ac8c7951fc75 [1,1,0,0,0,0|1,0,0]=3 347 B13R0.1239 CCC(C=O)NCCN(C)C(C)CC a4e29fb07e6df0c03349c11711c1e575 [1,1,0,0,0,0|0,0,2]=4 348 B13R0.1239 CCC(CC)NCCN(C)C(C)CC 7e19797a7a261823eadd49469efecc35 [1,1,0,0,0,0|1,0,0]=3 349 B13R0.1239 CCC(CO)NCCC(C)N(C)CC 12bdb6e264f6490cbfcc1e69eead445d [1,1,0,0,0,0|2,0,0]=4 350 B13R0.1239 CCC(CO)NCCN(C)C(C)CC 2e765c4e0b47860886b0375ab088099d [1,1,0,0,0,0|0,0,0]=2 351 B13R0.1247 CCC(NCCCC(C)CO)C(=O)O c511782d9c4b2d78817c40f38bc73f3d [1,1,0,0,0,0|1,0,1]=4 352 B13R0.1247 CC[C@@H](NCCCC(C)CO)C(=O)O 28343cbd7907687861a5f25edf01b929 [1,1,0,0,0,0|1,0,1]=4 353 B13R0.1247 CC[C@H](NCCCC(C)CO)C(=O)O 6a97ed01adbf6a308d6f00b45b1922f0 [1,1,0,0,0,0|1,0,1]=4 354 B13R0.469 CCC(CO)CNCC(CO)C(C)C 82a97b59f796be58d256d00f076ad00f [0,1,0,0,1,0|2,0,0]=4 355 B13R0.469 CCC(CO)NCCC(OC)C(=O)O 0fac3068f5398788acff2b80a7f42fa3 [0,1,0,0,1,0|1,0,1]=4 356 B13R0.469 CCC(NCCC(CO)CO)C(=O)O d932a291585d70372ab61d990002adbf [0,1,0,0,1,0|1,0,1]=4 357 B13R0.469 CC[C@@H](NCCC(CO)CO)C(=O)O 9fcdd383e0ea1429f45afbb49289a20e [0,1,0,0,1,0|1,0,1]=4 358 B13R0.469 CC[C@H](NCCC(CO)CO)C(=O)O 19c83b6ffe7fa415bec1fd54f6827390 [0,1,0,0,1,0|1,0,1]=4 359 B13R0.1068 CCC(CC)CC(=O)NC(CC)CO e8a04b2fe68c76a8729782cdd59c9ff8 [0,1,0,0,1,0|1,0,1]=4 360 B13R0.1068 CCC(CC)CC(=O)N[C@@H](CC)CO 1094d2fe301ba4740cd2b3a4996c151e [0,1,0,0,1,0|1,0,1]=4 361 B13R0.1068 CCC(CC)CC(=O)N[C@H](CC)CO a384d9e40f1aeea2163339fe54d31b4b [0,1,0,0,1,0|1,0,1]=4 362 B13R0.1068 CCC(CC)NC(=O)NC(CC)CO 54493eec91be994eb4881105c503e0fd [0,1,0,0,1,0|1,0,1]=4 363 B13R0.1068 CCC(CC)NC(=O)N[C@@H](CC)CO 73f553bf67f967e4c431375f2ec0f967 [0,1,0,0,1,0|1,0,1]=4 364 B13R0.1068 CCC(CC)NC(=O)N[C@H](CC)CO 879701cf17537a461d159077d266bbd9 [0,1,0,0,1,0|1,0,1]=4 365 B13R0.1068 CCC(CC)NC(=S)NC(CC)CO ae2a1761c92f312a61e8c85f9114cb65 [0,1,0,0,1,0|1,0,1]=4 366 B13R0.1068 CCC(CC)NC(=S)N[C@@H](CC)CO 905858126580d88468da3e7210d1c44b [0,1,0,0,1,0|1,0,1]=4 367 B13R0.1068 CCC(CC)NC(=S)N[C@H](CC)CO 014b124b331aa6fe79285845db067b86 [0,1,0,0,1,0|1,0,1]=4 368 B13R0.1068 CCC(CO)NC(=O)NC(CC)CO 048fcbfb864fc6d4ca055460bd04449d [0,1,0,0,1,0|0,0,1]=3 369 B13R0.1068 CCC(CO)NC(=O)NC(CO)CO c7ebbf26b05d9b777c6f19daa018726f [0,1,0,0,1,0|1,0,1]=4 370 B13R0.1068 CCC(CO)NC(=O)N[C@@H](CC)CO 13060c93ec3bc321a4965fa3d8bd29ba [0,1,0,0,1,0|0,0,1]=3 371 B13R0.1068 CCC(CO)NC(=O)N[C@H](CC)CO 022267b8f6c463df19eed18d9cdd32c5 [0,1,0,0,1,0|0,0,1]=3 372 B13R0.1068 CCC(CO)NC(=S)NC(CC)CO 6a355f68674f30d1b38d25efddf367bc [0,1,0,0,1,0|0,0,1]=3 373 B13R0.1068 CCC(CO)NC(=S)NC(CO)CO 93c8b9d89c75856c628f5e9b1c7fd0fa [0,1,0,0,1,0|1,0,1]=4 374 B13R0.1068 CCC(CO)NC(=S)N[C@@H](CC)CO 5a9bc496428e1ef3e33691074a3c6cd3 [0,1,0,0,1,0|0,0,1]=3 375 B13R0.1068 CCC(CO)NC(=S)N[C@H](CC)CO 93be51d68a957f5393cece6a0c76f58b [0,1,0,0,1,0|0,0,1]=3 376 B13R0.1068 CCC(CO)NC(C)CN(CC)CC 7e8079e94a99f28d731c698e01356ee1 [0,1,0,0,1,0|2,0,0]=4 377 B13R0.1068 CC[C@@H](CO)NC(=O)NC(CO)CO d4fb503c0f1b5df91a2584c37b0fd7cc [0,1,0,0,1,0|1,0,1]=4 378 B13R0.1068 CC[C@@H](CO)NC(=O)N[C@@H](CC)CO 52fe5a04e67482e5a531ab8ba3ae7978 [0,1,0,0,1,0|0,0,1]=3 379 B13R0.1068 CC[C@@H](CO)NC(=S)NC(CO)CO 2d5eff30382647a2ee693ae19a37cbf8 [0,1,0,0,1,0|1,0,1]=4 380 B13R0.1068 CC[C@@H](CO)NC(=S)N[C@@H](CC)CO db2ad44fac74cf6833d517dcc0f3f31f [0,1,0,0,1,0|0,0,1]=3 381 B13R0.1068 CC[C@H](CO)NC(=O)NC(CO)CO 9929d396cb3bed3864c3f2446aec93b3 [0,1,0,0,1,0|1,0,1]=4 382 B13R0.1068 CC[C@H](CO)NC(=O)N[C@@H](CC)CO 1fe4cc764bab680c940d468203dd5ec2 [0,1,0,0,1,0|0,0,1]=3 383 B13R0.1068 CC[C@H](CO)NC(=O)N[C@H](CC)CO dc20c52ff359909b5c916392e2f0876d [0,1,0,0,1,0|0,0,1]=3 384 B13R0.1068 CC[C@H](CO)NC(=S)NC(CO)CO a1d771c9f91f0125aa45ffd2fed71309 [0,1,0,0,1,0|1,0,1]=4 385 B13R0.1068 CC[C@H](CO)NC(=S)N[C@@H](CC)CO 961c1c1615604b2e0e342235120f9313 [0,1,0,0,1,0|0,0,1]=3 386 B13R0.1068 CC[C@H](CO)NC(=S)N[C@H](CC)CO fb299950d7c5dc851183d9b1b040162b [0,1,0,0,1,0|0,0,1]=3 387 B13R0.1225 CCC(CO)N(C)CCN(CC)CC d134a400d50f4ff3acc5c19077f36f97 [0,1,0,0,1,0|2,0,0]=4 388 B13R0.1264 CCC(CC)CCN[C@@H](CO)CCO acd3bc0ab750d4a5ee67b623fc43fb8e [0,1,0,0,1,0|1,0,0]=3 389 B13R0.1264 CCC(CC)NCCN(CC)CCO 9185302445032bfd16418fd8baf94595 [0,1,0,0,1,0|2,0,0]=4 390 B13R0.1264 CCC(CO)NCCN(CC)CCO b9ed38aaee1ad09db495d0f845a71157 [0,1,0,0,1,0|1,0,0]=3 391 B13R0.1264 CCCC(CC)NCCC(CC)CC 097afc584c7e6834e4ad9723d7662989 [0,1,0,0,1,0|2,0,0]=4 392 B13R0.1264 CCCC(CC)NCCC(CO)CO bac1dc175ac28c66a397cad1f5276ea3 [0,1,0,0,1,0|2,0,0]=4 393 B13R0.1264 CCN(CC)CCN[C@@H](CO)CCO 20a74c547a9f15e48d2e19ae1c716aa7 [0,1,0,0,1,0|2,0,0]=4 394 B13R0.1264 OCC[C@H](CO)NCCC(CO)CO 7d3bb8b9c176a88780a4dc5f0ec74131 [0,1,0,0,1,0|1,0,0]=3 395 B15R0.4266 OCC[C@H](CO)NCCCCC(CO)CO 9ff62907ea021b61dcd41865ab79d783 [0,1,0,0,0,1|2,0,0]=4 396 B15R0.4275 CCC(CO)NCCCN(CCO)CCO 6b70dae077ebed50cb47a9bac47938a6 [0,2,0,0,0,0|2,0,0]=4 397 B15R0.4275 CCOC(CCCNC(CC)CO)OCC 0eaa7613886eb9ce796d5f86a0feb002 [0,2,0,0,0,0|2,0,0]=4 398 B15R0.4275 CCOC(CCCN[C@@H](CC)CO)OCC 7e8a0003ff461a5f68799a4f07ff8ab8 [0,2,0,0,0,0|2,0,0]=4 399 B15R0.4275 CCOC(CCCN[C@H](CC)CO)OCC 1a23b2836fdb26fc853adc55b397a43a [0,2,0,0,0,0|2,0,0]=4 400 B15R0.1866 CCC(CO)NCC(=O)NC(CC)C(=O)O cdfb6f44add916f53f5616b3625de0ab [0,2,0,0,0,0|0,0,2]=4 401 B15R0.1866 CCC(CO)NCC(=O)N[C@@H](CC)C(=O)O 3a0d78611a36a4806c9b615e47fc16e9 [0,2,0,0,0,0|0,0,2]=4 402 B15R0.1866 CCC(NC(=O)CN[C@@H](CC)CO)C(=O)O 5e0120c8cf9f70a242de4a870900f4df [0,2,0,0,0,0|0,0,2]=4 403 B15R0.1866 CCC(NC(=O)CN[C@H](CC)CO)C(=O)O eb5a9efc27514298f760f757a8a9b382 [0,2,0,0,0,0|0,0,2]=4 404 B13R1.5 CC(CO)NC1CCC(CC1)CO 5bbccc6f65e43f5b21db2db801d148e8 [1,0,0,1,0,0|1,0,0]=3 405 B13R1.5 CC(CO)N[C@H]1CC[C@@H](CC1)CO 452beeca24e0ce5a3c9b5962e2e974be [1,0,0,1,0,0|1,0,0]=3 406 B13R1.5 CC(CO)N[C@H]1CC[C@H](CC1)CO 9e948477bdcbd0fc03049ed3717bc7d6 [1,0,0,1,0,0|1,0,0]=3 407 B13R1.5 CCC(C)NC1CCC(CC1)CO eef9ac698e83d327f276a9098a67a64e [1,0,0,1,0,0|1,0,0]=3 408 B13R1.5 CCC(C)N[C@H]1CC[C@@H](CC1)CO 9dac294aca4d0baddbcb4ecee0b8dc24 [1,0,0,1,0,0|1,0,0]=3 409 B13R1.5 CCC(C)N[C@H]1CC[C@H](CC1)CO 6f17fb188e6e611d77af1752b30aedc1 [1,0,0,1,0,0|1,0,0]=3 410 B13R1.5 CCC1CCC(CC1)NC(C)CC 8872ff37c1fb3016316945c967c6d1b9 [1,0,0,1,0,0|2,0,0]=4 411 B13R1.5 CCC1CCC(CC1)NC(C)CO e30f91bee5dafd3a3898f3968eb85926 [1,0,0,1,0,0|2,0,0]=4 412 B13R1.5 CCC1CCC(CC1)N[C@@H](C)CO a6e5f54d03be719883c30aac3311558d [1,0,0,1,0,0|2,0,0]=4 413 B13R1.5 CCC1CCC(CC1)N[C@H](C)CO dd7d2159c28a57ae2371a1eb14a5c62e [1,0,0,1,0,0|2,0,0]=4 414 B13R1.5 CC[C@@H](C)NC1CCC(CC1)CO 53ca75b66388a46a57f5a48b4761df6b [1,0,0,1,0,0|1,0,0]=3 415 B13R1.5 CC[C@H](C)NC1CCC(CC1)CO cc2d5d3c1783c99f5a45e67c1804de83 [1,0,0,1,0,0|1,0,0]=3 416 B13R1.5 C[C@@H](CO)NC1CCC(CC1)CO 8eb37dcc5644a008d68df76eddfa80e5 [1,0,0,1,0,0|1,0,0]=3 417 B13R1.5 C[C@@H](CO)N[C@H]1CC[C@@H](CC1)CO a0b381cf511adcd813ddd63397015131 [1,0,0,1,0,0|1,0,0]=3 418 B13R1.5 C[C@@H](CO)N[C@H]1CC[C@H](CC1)CO 87a4b2d33e22f4d204e9d1632f613b54 [1,0,0,1,0,0|1,0,0]=3 419 B13R1.5 C[C@H](CO)NC1CCC(CC1)CO 1797379cb56e47fc83d2853bd43a802a [1,0,0,1,0,0|1,0,0]=3 420 B13R1.5 C[C@H](CO)N[C@H]1CC[C@@H](CC1)CO f119664d2870769c433cc2fa65ed7d87 [1,0,0,1,0,0|1,0,0]=3 421 B13R1.5 C[C@H](CO)N[C@H]1CC[C@H](CC1)CO eae8b7df54e43e1b19c4fcefc484eef6 [1,0,0,1,0,0|1,0,0]=3 422 B13R1.8 CC1C(CCCN1C(CO)CO)O a0037c1ff299a230cdb29da69a2483d3 [1,0,0,1,0,0|2,0,0]=4 423 B13R1.8 CC1OCCN(C1C)C(CO)CO 33e0b7da44920fb1be5fbad803daf0a7 [1,0,0,1,0,0|2,0,0]=4 424 B13R1.8 CCC(CC)N1CCCC(C1C)O 86b1efd7bd450757626f06b825948c9c [1,0,0,1,0,0|2,0,0]=4 425 B13R1.8 CCC(CC)N1CCC[C@@H]([C@H]1C)O d6a2a03aa8b03e8db839158d11bf6191 [1,0,0,1,0,0|2,0,0]=4 426 B13R1.8 CCC(CC)N1CCC[C@H]([C@@H]1C)O fa0cfb6f2c82a257aa683948ea552141 [1,0,0,1,0,0|2,0,0]=4 427 B13R1.8 CCC(CC)N1CCOC(C1C)C 04a63d6227f211e81fec1305d45d0cec [1,0,0,1,0,0|2,0,0]=4 428 B13R1.8 CCC(CO)N1CCCC(C1C)O 7e94757533edf9d219ff71c98aafa600 [1,0,0,1,0,0|1,0,0]=3 429 B13R1.8 CCC(CO)N1CCC[C@@H]([C@H]1C)O 0afe8bcbaf3f4a4bd274b21f2df941bc [1,0,0,1,0,0|1,0,0]=3 430 B13R1.8 CCC(CO)N1CCC[C@H]([C@@H]1C)O 100f9ebc8fe9c2db34ef015dc9feb276 [1,0,0,1,0,0|1,0,0]=3 431 B13R1.8 CCC(CO)N1CCNC(=O)C1C a1996115343e5d2d46a851c5186f21ca [1,0,0,1,0,0|0,0,2]=4 432 B13R1.8 CCC(CO)N1CCNC(=O)[C@@H]1C 894895cf70ce0d74527218da8082296c [1,0,0,1,0,0|0,0,2]=4 433 B13R1.8 CCC(CO)N1CCNC(=O)[C@H]1C fe2098570eab2bd49acd0f5b1f847b7d [1,0,0,1,0,0|0,0,2]=4 434 B13R1.8 CCC(CO)N1CCOC(C1C)C 9b99073d99bb7befe68a755aa79a5e98 [1,0,0,1,0,0|1,0,0]=3 435 B13R1.8 C[C@@H]1[C@H](CCCN1C(CO)CO)O 6e0c2a7e592cf74b17821c11ed3fb828 [1,0,0,1,0,0|2,0,0]=4 436 B13R1.8 C[C@H]1[C@@H](CCCN1C(CO)CO)O 6104353a5d5a97c7fc21a873019b668f [1,0,0,1,0,0|2,0,0]=4 437 B13R1.62 CCC(CC)NC1CCC(C1)CO 8a63c8ee5aa02ebb11c270dedd4168a0 [1,0,0,1,0,0|2,0,0]=4 438 B13R1.62 CCC(CC)N[C@@H]1CC[C@@H](C1)CO 187813a7bfd4c9ed7e889543d6339f7a [1,0,0,1,0,0|2,0,0]=4 439 B13R1.62 CCC(CC)N[C@@H]1CC[C@H](C1)CO c0c7e456dd3bcfde3f157160b4a6b4ac [1,0,0,1,0,0|2,0,0]=4 440 B13R1.62 CCC(CC)N[C@H]1CC[C@@H](C1)CO 292b46643dc67dae002e13925c11ab43 [1,0,0,1,0,0|2,0,0]=4 441 B13R1.62 CCC(CC)N[C@H]1CC[C@H](C1)CO 26b3b07c54a6805ac21649cfa1a71ce1 [1,0,0,1,0,0|2,0,0]=4 442 B13R1.62 CCC(CO)NC1CCC(C1)CO 1d36ad64811a158ee231c4cb4bf5ed56 [1,0,0,1,0,0|1,0,0]=3 443 B13R1.62 CCC(CO)NC1CCC(C1)OC fdf3aa286b1b33f63553b43514b7b893 [1,0,0,1,0,0|2,0,0]=4 444 B13R1.62 CCC(CO)NC1CCN(C1)CC 009e0880d194d2c4458cebf0c1cfbae7 [1,0,0,1,0,0|2,0,0]=4 445 B13R1.62 CCC(CO)N[C@@H]1CCN(C1)CC 759c73e14f4df5f8500ca953632b01ab [1,0,0,1,0,0|2,0,0]=4 446 B13R1.62 CCC(CO)N[C@@H]1CC[C@@H](C1)CO 3214dd2321f51ca2045b2ff1205295ce [1,0,0,1,0,0|1,0,0]=3 447 B13R1.62 CCC(CO)N[C@@H]1CC[C@@H](C1)OC 4ce5027224d6460dd6b9994e503fc20d [1,0,0,1,0,0|2,0,0]=4 448 B13R1.62 CCC(CO)N[C@@H]1CC[C@H](C1)CO fee628fad213b2a6ea3f526abbe4503c [1,0,0,1,0,0|1,0,0]=3 449 B13R1.62 CCC(CO)N[C@H]1CCN(C1)CC 14b085c8108edd98fee6389c677e56c3 [1,0,0,1,0,0|2,0,0]=4 450 B13R1.62 CCC(CO)N[C@H]1CC[C@@H](C1)CO d0c2105ae9c04235e87842a5dc6cd750 [1,0,0,1,0,0|1,0,0]=3 451 B13R1.62 CCC(CO)N[C@H]1CC[C@H](C1)CO ce831b0bb1141e00a3459c080460ff99 [1,0,0,1,0,0|1,0,0]=3 452 B13R1.62 CC[C@@H](CO)NC1CCC(C1)OC 2e341a6f6c16869da19d03bbb0b8e0a7 [1,0,0,1,0,0|2,0,0]=4 453 B13R1.62 CC[C@@H](CO)NC1CCN(C1)CC 08483a7a0a6b7ec378e16fdd0e28816a [1,0,0,1,0,0|2,0,0]=4 454 B13R1.62 CC[C@H](CO)NC1CCC(C1)OC 30a3dda8f13cc67d8f03e3a69236cfba [1,0,0,1,0,0|2,0,0]=4 455 B13R1.62 CC[C@H](CO)NC1CCN(C1)CC 459f6cd9c68fa5cb0a336ef106e9b53e [1,0,0,1,0,0|2,0,0]=4 456 B13R1.62 OCC(CO)N[C@@H]1CC[C@@H](C1)CO 56b2ddbf1a14feb172bcdbae3c29b774 [1,0,0,1,0,0|2,0,0]=4 457 B13R1.62 OCC(CO)N[C@@H]1CC[C@H](C1)CO 59a3f9ebbafd7ca25f0e3916e7be7861 [1,0,0,1,0,0|2,0,0]=4 458 B13R1.62 OCC(CO)N[C@H]1CC[C@@H](C1)CO 6b509b4db15e394a4992929fd6bc1b8e [1,0,0,1,0,0|2,0,0]=4 459 B13R1.62 OCC(CO)N[C@H]1CC[C@H](C1)CO dc9c5791159e80f69db3807028b1b0df [1,0,0,1,0,0|2,0,0]=4 460 B13R1.62 OCC1CCC(C1)NC(CO)CO 7c6af06d59965cee628e4ab201e3993d [1,0,0,1,0,0|2,0,0]=4 461 B13R1.82 CC(CO)N1CCCC(C1C)CO af56cec6565a4a7cf21fcd0e72df92c0 [1,0,0,1,0,0|1,0,0]=3 462 B13R1.82 CC(CO)N1CCC[C@@H]([C@@H]1C)CO c3113061f1ce8c3e051137cf11d78ef9 [1,0,0,1,0,0|1,0,0]=3 463 B13R1.82 CC(CO)N1CCC[C@@H]([C@H]1C)CO 1c48244bdd0c4d6c3b5f59e20fed66ac [1,0,0,1,0,0|1,0,0]=3 464 B13R1.82 CC(CO)N1CCC[C@H]([C@H]1C)CO 1ab3600f78ed8adec24279fd04bf2b97 [1,0,0,1,0,0|1,0,0]=3 465 B13R1.82 CC1C(CCCN1[C@@H](C)CO)CO f2887c6d0f0a93e385c17fa6263fcd7f [1,0,0,1,0,0|1,0,0]=3 466 B13R1.82 CC1C(CCCN1[C@H](C)CO)CO 37724ff5db95579d89197b61f8478a3a [1,0,0,1,0,0|1,0,0]=3 467 B13R1.82 CCC(C)N1CCCC(C1C)CO 77157a01ca83f44167acade9997bd95f [1,0,0,1,0,0|1,0,0]=3 468 B13R1.82 CCC(C)N1CCC[C@@H]([C@@H]1C)CO 13f357db3e62db7c1906c1d5ee7d149a [1,0,0,1,0,0|1,0,0]=3 469 B13R1.82 CCC(C)N1CCC[C@@H]([C@H]1C)CO 4124d34aec9664d1f235df5510ba232f [1,0,0,1,0,0|1,0,0]=3 470 B13R1.82 CCC(C)N1CCC[C@H]([C@H]1C)CO 5735639b8fed07a828b0f12dcd68a4db [1,0,0,1,0,0|1,0,0]=3 471 B13R1.82 C[C@@H](CO)N1CCC[C@@H]([C@@H]1C)CO 70430d3a699b80fda246a2c789586f1b [1,0,0,1,0,0|1,0,0]=3 472 B13R1.82 C[C@@H]1[C@@H](CCCN1[C@@H](C)CO)CO 51ec97b913331e7497d2e5dc7d11957c [1,0,0,1,0,0|1,0,0]=3 473 B13R1.82 C[C@@H]1[C@H](CCCN1[C@@H](C)CO)CO e3eefcbc0623c2f17893fd7bb01c968a [1,0,0,1,0,0|1,0,0]=3 474 B13R1.82 C[C@H](CO)N1CCC[C@@H]([C@@H]1C)CO 5fed0acd64f941b223e47d14088df1ac [1,0,0,1,0,0|1,0,0]=3 475 B13R1.82 C[C@H](CO)N1CCC[C@@H]([C@H]1C)CO f5c44383333b415113443c605e3c3535 [1,0,0,1,0,0|1,0,0]=3 476 B13R1.82 C[C@H](CO)N1CCC[C@H]([C@H]1C)CO 0f8a921737b5ff50a5e57a2c36df76df [1,0,0,1,0,0|1,0,0]=3 477 B13R1.145 CC1CCC(CC1)NC(CO)CO 46d2bf8cdadd6fd44d16a45ed35e9f78 [1,0,0,1,0,0|2,0,0]=4 478 B13R1.145 CCC(CC)NC1CCC(CC1)C 3774971547334b8247ab5a07744452fd [1,0,0,1,0,0|2,0,0]=4 479 B13R1.145 CCC(CC)NC1CCC(CC1)O 17bfa9bfd5c0547c49ee7c89e4465d94 [1,0,0,1,0,0|2,0,0]=4 480 B13R1.145 CCC(CC)N[C@H]1CC[C@@H](CC1)C c7dd9cbe25c04fc41a8c4a05651baea3 [1,0,0,1,0,0|2,0,0]=4 481 B13R1.145 CCC(CC)N[C@H]1CC[C@@H](CC1)O 891875bb25c833c11b2f46ff01b8a7ed [1,0,0,1,0,0|2,0,0]=4 482 B13R1.145 CCC(CC)N[C@H]1CC[C@H](CC1)C 37e7180c3af739f3fe2982e2254ff99d [1,0,0,1,0,0|2,0,0]=4 483 B13R1.145 CCC(CC)N[C@H]1CC[C@H](CC1)O 931ee9d6c36e761d3aa248d3e63cb1e6 [1,0,0,1,0,0|2,0,0]=4 484 B13R1.145 CCC(CO)NC1CCC(=O)NC1 8c66775ea957cfaf84e922254180f145 [1,0,0,1,0,0|0,0,2]=4 485 B13R1.145 CCC(CO)NC1CCC(CC1)C 1cca0a3983af7522f2afbb76219f395a [1,0,0,1,0,0|1,0,0]=3 486 B13R1.145 CCC(CO)NC1CCC(CC1)Cl 101a7ac6610a7554d0c4cd6a013843ce [1,0,0,1,0,0|2,0,0]=4 487 B13R1.145 CCC(CO)NC1CCC(CC1)O 7ea32877f6b5927614784c0a7390a324 [1,0,0,1,0,0|1,0,0]=3 488 B13R1.145 CCC(CO)NC1CCN(CC1)C 72543c5ed270a9c77f3800974da63ccc [1,0,0,1,0,0|2,0,0]=4 489 B13R1.145 CCC(CO)N[C@@H]1CCC(=O)NC1 75e34a7453a5a83331db4c420cd35cfd [1,0,0,1,0,0|0,0,2]=4 490 B13R1.145 CCC(CO)N[C@H]1CCC(=O)NC1 842a2b45b4faeda68ffc93d3f516a3aa [1,0,0,1,0,0|0,0,2]=4 491 B13R1.145 CCC(CO)N[C@H]1CC[C@@H](CC1)C 076641f2abd4afdc25a10995ab05e1ed [1,0,0,1,0,0|1,0,0]=3 492 B13R1.145 CCC(CO)N[C@H]1CC[C@@H](CC1)Cl 953c7a955cef281b60896ae5413fa34d [1,0,0,1,0,0|2,0,0]=4 493 B13R1.145 CCC(CO)N[C@H]1CC[C@@H](CC1)O d008351c25f77b7030b6c14ea72791a0 [1,0,0,1,0,0|1,0,0]=3 494 B13R1.145 CCC(CO)N[C@H]1CC[C@H](CC1)C 17975f2c3fd967386efb5b16cbf615ee [1,0,0,1,0,0|1,0,0]=3 495 B13R1.145 CCC(CO)N[C@H]1CC[C@H](CC1)Cl ed6215022c3073928869bd6e0cc83f11 [1,0,0,1,0,0|2,0,0]=4 496 B13R1.145 CCC(CO)N[C@H]1CC[C@H](CC1)O b0584feebd6fa2a93fc0e26593a1f341 [1,0,0,1,0,0|1,0,0]=3 497 B13R1.145 CC[C@@H](CO)NC1CCC(CC1)C 39939693be3ce619d9072500a0c41a15 [1,0,0,1,0,0|1,0,0]=3 498 B13R1.145 CC[C@@H](CO)NC1CCC(CC1)O 52903fb130916e421d1098e7b7ed6024 [1,0,0,1,0,0|1,0,0]=3 499 B13R1.145 CC[C@@H](CO)NC1CCN(CC1)C 3f17a91c5462d27e82803a2d498b7e50 [1,0,0,1,0,0|2,0,0]=4 500 B13R1.145 CC[C@H](CO)NC1CCC(CC1)C b4e5c32fb95651b6b72614e9dbc0e7b3 [1,0,0,1,0,0|1,0,0]=3 501 B13R1.145 CC[C@H](CO)NC1CCC(CC1)O 40ceb80b6f1f6b58ff92365de6793c5d [1,0,0,1,0,0|1,0,0]=3 502 B13R1.145 CC[C@H](CO)NC1CCN(CC1)C 32e1b5db8e51a3af5f239a3e312003da [1,0,0,1,0,0|2,0,0]=4 503 B13R1.145 C[C@H]1CC[C@@H](CC1)NC(CO)CO 01a4550fdbddf3bf8de11eedf0037e9a [1,0,0,1,0,0|2,0,0]=4 504 B13R1.145 C[C@H]1CC[C@H](CC1)NC(CO)CO 88c2d2fa0d59ca7c35699d582c1c2ad2 [1,0,0,1,0,0|2,0,0]=4 505 B13R1.145 OCC(CO)NC1CCC(CC1)O 6727a3bcbed858918bdf63af3a7ae00b [1,0,0,1,0,0|2,0,0]=4 506 B13R1.145 OCC(CO)N[C@H]1CC[C@@H](CC1)O e4a6a775429b2e09501d5a336ff46cf2 [1,0,0,1,0,0|2,0,0]=4 507 B13R1.145 OCC(CO)N[C@H]1CC[C@H](CC1)O 175b7c36dfec15bce168353212308643 [1,0,0,1,0,0|2,0,0]=4 508 B13R1.319 CCC(CC)NCCOC1CCC1 e039bf03cf1f9be439381c0f78538957 [1,0,0,1,0,0|2,0,0]=4 509 B13R1.319 CCC(CO)NCCCN1CCC1 22ce3323407db4215dd7bea95f545b81 [1,0,0,1,0,0|2,0,0]=4 510 B13R1.319 CCC(CO)NCCOC1CCC1 83183124c929c3efc388a13cb16bec8f [1,0,0,1,0,0|1,0,0]=3 511 B13R1.319 CC[C@@H](CO)NCCOC1CCC1 16d86d87631aaefc31fdbaafbd727b4f [1,0,0,1,0,0|1,0,0]=3 512 B13R1.319 CC[C@H](CO)NCCOC1CCC1 7df7a7f6a0cf9a01f32e07f713cd6ad2 [1,0,0,1,0,0|1,0,0]=3 513 B13R1.319 OCC(CO)NCCOC1CCC1 fd54a80a035991f65198d3599e37e01e [1,0,0,1,0,0|2,0,0]=4 514 B13R1.333 CC1(CCCN1C(CO)CO)CO e45fdd532f378ce0e89da66848c781fc [1,0,0,1,0,0|2,0,0]=4 515 B13R1.333 CCC(CO)N1CCCC1(C)CO 0d5e79d2d2b89cc0f7c8c3a9f5567a90 [1,0,0,1,0,0|1,0,0]=3 516 B13R1.416 CCC(CC)NCC1CCC(C1)O 38fc52f86f095ebcece6fb1a9e4cc498 [1,0,0,1,0,0|2,0,0]=4 517 B13R1.416 CCC(CO)NCC1CCC(=O)N1 9dd95facc26cde9585ab986aaa0a50ee [1,0,0,1,0,0|0,0,2]=4 518 B13R1.416 CCC(CO)NCC1CCC(C1)O f1654f7b42bee282efa176e19006bcfe [1,0,0,1,0,0|1,0,0]=3 519 B13R1.416 CCC(CO)NCC1CCN(C1)C 9da2becbfedb1a49aa529335cd237b3a [1,0,0,1,0,0|2,0,0]=4 520 B13R1.416 CCC(CO)NC[C@@H]1CCC(=O)N1 76e0abbc9a75234cdabeb64ac29e331d [1,0,0,1,0,0|0,0,2]=4 521 B13R1.416 CCC(CO)NC[C@@H]1CCN(C1)C 7933a26e8b01980fa5b7138cd049acd2 [1,0,0,1,0,0|2,0,0]=4 522 B13R1.416 CCC(CO)NC[C@H]1CCC(=O)N1 1b3ac0a592f24ff0330776daacd1c21e [1,0,0,1,0,0|0,0,2]=4 523 B13R1.416 CCC(CO)NC[C@H]1CCN(C1)C 8d3bbe27407ab49c4a6674b33185cd70 [1,0,0,1,0,0|2,0,0]=4 524 B13R1.416 CC[C@@H](CO)NCC1CCC(=O)N1 cfa78896bc0dccc32f7377a5125acddf [1,0,0,1,0,0|0,0,2]=4 525 B13R1.416 CC[C@@H](CO)NCC1CCN(C1)C 00528700dc7af1b0b39e138030498488 [1,0,0,1,0,0|2,0,0]=4 526 B13R1.416 CC[C@@H](CO)NC[C@@H]1CCC(=O)N1 a04a50a96b848324731491434bc9f14b [1,0,0,1,0,0|0,0,2]=4 527 B13R1.416 CC[C@@H](CO)NC[C@H]1CCC(=O)N1 4e4641cc81f5f64855ca1f1638c9ad53 [1,0,0,1,0,0|0,0,2]=4 528 B13R1.416 CC[C@H](CO)NCC1CCC(=O)N1 55264b71f4656cb18eb750c7ed6e835d [1,0,0,1,0,0|0,0,2]=4 529 B13R1.416 CC[C@H](CO)NCC1CCN(C1)C bf8fe2351a41308b21b72ac61d5d976a [1,0,0,1,0,0|2,0,0]=4 530 B13R1.416 CC[C@H](CO)NC[C@@H]1CCC(=O)N1 23f1c6ea738e0720c3d7d9c66e7e6eee [1,0,0,1,0,0|0,0,2]=4 531 B13R1.416 CC[C@H](CO)NC[C@H]1CCC(=O)N1 8e49fbb8a0db9cf03fa22ec7ac982a45 [1,0,0,1,0,0|0,0,2]=4 532 B13R1.416 OCC(CO)NCC1CCC(C1)O 770f6aa2d9e99de7c934d2359c2fb76e [1,0,0,1,0,0|2,0,0]=4 533 B13R1.536 CC(CO)CCCNC1CCCC1 3029cd7aa341f4c82954ad7128b6b31d [1,0,0,1,0,0|2,0,0]=4 534 B13R1.536 CC(CO)CCCNC1CCOC1 ec8ac6758f368bb0cdd67f3df4f1a4ef [1,0,0,1,0,0|1,0,0]=3 535 B13R1.536 CC(CO)CCCN[C@@H]1CCOC1 f117205c88f86f02b2dec500d16079fb [1,0,0,1,0,0|1,0,0]=3 536 B13R1.536 CC(CO)CCCN[C@H]1CCOC1 56ae1a1b3762d00221516ad3caec1b39 [1,0,0,1,0,0|1,0,0]=3 537 B13R1.536 CC(CO)NCCCC1CCCC1 de2da13511a023fdb0cb8f9323747f6d [1,0,0,1,0,0|2,0,0]=4 538 B13R1.536 CC(CO)NCCCC1CCOC1 547cb1783f2af1d5206113b09cb820d0 [1,0,0,1,0,0|1,0,0]=3 539 B13R1.536 CC(CO)NCCOC1CCCC1 90dca6223c1abbc517a7989bb1b3dd2d [1,0,0,1,0,0|2,0,0]=4 540 B13R1.536 CC(CO)NCCOC1CCOC1 4d304baa25646889cb8ea177002bb6e6 [1,0,0,1,0,0|1,0,0]=3 541 B13R1.536 CC(CO)NCCSC1CCCC1 47f21e2b76ea76da0044ea607344b20d [1,0,0,1,0,0|2,0,0]=4 542 B13R1.536 CCC(=O)NCCNC1CCOC1 627849f756f3f537de536d8e94ce0ce3 [1,0,0,1,0,0|0,0,2]=4 543 B13R1.536 CCC(=O)NCCN[C@@H]1CCOC1 c585be0995424ae0bd19a6d4cac16030 [1,0,0,1,0,0|0,0,2]=4 544 B13R1.536 CCC(=O)NCCN[C@H]1CCOC1 040516d06d9a30265674f153ff626a5d [1,0,0,1,0,0|0,0,2]=4 545 B13R1.536 CCC(C)CCCOC1CCOC1 98920300d6aeb079ae6d9b454fc42bb1 [1,0,0,1,0,0|2,0,0]=4 546 B13R1.536 CCC(C)CCCO[C@@H]1CCOC1 c2547e7ee456ed41a73908b6169c5417 [1,0,0,1,0,0|2,0,0]=4 547 B13R1.536 CCC(C)CCCO[C@H]1CCOC1 d77cc25c8bd28f30d658258ffab512cd [1,0,0,1,0,0|2,0,0]=4 548 B13R1.536 CCC(C)NCCCC1CCCC1 be727344bde13c70fbba86476243a1ac [1,0,0,1,0,0|2,0,0]=4 549 B13R1.536 CCC(C)NCCCC1CCOC1 dd353d384cf116bee9d8898a706fcf73 [1,0,0,1,0,0|1,0,0]=3 550 B13R1.536 CCC(C)NCCOC1CCCC1 504a89592a164fec13173c1370dbd428 [1,0,0,1,0,0|2,0,0]=4 551 B13R1.536 CCC(C)NCCOC1CCOC1 63a3b5f557475ce90f35ec1c7137eeb6 [1,0,0,1,0,0|1,0,0]=3 552 B13R1.536 CCC(C)NCCSC1CCCC1 1f309d7812745af7d6ac351b39f4e591 [1,0,0,1,0,0|2,0,0]=4 553 B13R1.536 CCC(C)OCCOC1CCOC1 af4814a83c54c3148c0c5a8780ae5b63 [1,0,0,1,0,0|2,0,0]=4 554 B13R1.536 CCN(C)CCCNC1CCOC1 35e65d956e20396ab9e41b9f29849523 [1,0,0,1,0,0|2,0,0]=4 555 B13R1.536 CCN(C)CCCN[C@@H]1CCOC1 b99119dd3c84cfd6bbdabb0f52c0769b [1,0,0,1,0,0|2,0,0]=4 556 B13R1.536 CCN(C)CCCN[C@H]1CCOC1 377ac48466f6ff01874253a05f60cf4f [1,0,0,1,0,0|2,0,0]=4 557 B13R1.536 CC[C@@H](C)NCCCC1CCCC1 6a70dcc9f117b48b120a8f45d9f3a484 [1,0,0,1,0,0|2,0,0]=4 558 B13R1.536 CC[C@@H](C)NCCOC1CCOC1 a76e3db6390eb8ad382c5fb6a2458f05 [1,0,0,1,0,0|1,0,0]=3 559 B13R1.536 CC[C@@H](C)OCCOC1CCOC1 425ab1fcae139a4e2840bf31459463fe [1,0,0,1,0,0|2,0,0]=4 560 B13R1.536 CC[C@H](C)CCCOC1CCOC1 bff3f6f9558930800c906f79e068a65d [1,0,0,1,0,0|2,0,0]=4 561 B13R1.536 CC[C@H](C)CCCO[C@@H]1CCOC1 7243a688b0a4d3d6bd83b8f63722d850 [1,0,0,1,0,0|2,0,0]=4 562 B13R1.536 CC[C@H](C)CCCO[C@H]1CCOC1 b174d94439025931e29c40470814c2f6 [1,0,0,1,0,0|2,0,0]=4 563 B13R1.536 CC[C@H](C)NCCCC1CCCC1 868889d77464348df7ad5e91cf5436f5 [1,0,0,1,0,0|2,0,0]=4 564 B13R1.536 CC[C@H](C)NCCOC1CCOC1 01c07b6bb900250ddc3018bdbeebcf1e [1,0,0,1,0,0|1,0,0]=3 565 B13R1.536 CC[C@H](C)OCCOC1CCOC1 1d414b9540bb476de7837a8c4e3b63d0 [1,0,0,1,0,0|2,0,0]=4 566 B13R1.536 C[C@@H](CO)NCCCC1CCCC1 fb3b04c88ec4c9f798386705833087a5 [1,0,0,1,0,0|2,0,0]=4 567 B13R1.536 C[C@@H](CO)NCCCC1CCOC1 90430b80265129eff8eeac0424a0654e [1,0,0,1,0,0|1,0,0]=3 568 B13R1.536 C[C@@H](CO)NCCOC1CCCC1 6a65a13dcdb589b9b50bd18a999a1856 [1,0,0,1,0,0|2,0,0]=4 569 B13R1.536 C[C@@H](CO)NCCOC1CCOC1 394f14a0bb4dca382b35086f2b0ac2ca [1,0,0,1,0,0|1,0,0]=3 570 B13R1.536 C[C@@H](CO)NCCSC1CCCC1 408e92031db2ebc408d7739c330aa220 [1,0,0,1,0,0|2,0,0]=4 571 B13R1.536 C[C@H](CO)NCCCC1CCCC1 abe2322d870f5150b5c76af599e83531 [1,0,0,1,0,0|2,0,0]=4 572 B13R1.536 C[C@H](CO)NCCCC1CCOC1 21d162c8411b9da8b597960c8c9fb02f [1,0,0,1,0,0|1,0,0]=3 573 B13R1.536 C[C@H](CO)NCCOC1CCCC1 23d282095b10aefb8df3371770435655 [1,0,0,1,0,0|2,0,0]=4 574 B13R1.536 C[C@H](CO)NCCOC1CCOC1 af2b8b287aaf47a491fa9902f2dabced [1,0,0,1,0,0|1,0,0]=3 575 B13R1.536 C[C@H](CO)NCCSC1CCCC1 7b76b7daf1cf8a1ed496a4919ef754e5 [1,0,0,1,0,0|2,0,0]=4 576 B13R1.646 CCC(CC)N1CCCC(C1)CO 6ee869af8076a9ac92132efb097cd8d0 [1,0,0,1,0,0|2,0,0]=4 577 B13R1.646 CCC(CC)N1CCC[C@@H](C1)CO dfdbbedb847e4d982fd0ddfa4a3c61ca [1,0,0,1,0,0|2,0,0]=4 578 B13R1.646 CCC(CC)N1CCC[C@H](C1)CO 133d5559107b7486517f431521c129ba [1,0,0,1,0,0|2,0,0]=4 579 B13R1.646 CCC(CC)N1CCOC(C1)CO 3b36ab1c3f0c381551eda17a4106936b [1,0,0,1,0,0|2,0,0]=4 580 B13R1.646 CCC(CC)N1CCO[C@@H](C1)CC 52e60e5a5ad6d0f226d3aec061b75511 [1,0,0,1,0,0|2,0,0]=4 581 B13R1.646 CCC(CC)N1CCO[C@@H](C1)CO 56e7378b77c62b151c8795b2d69ccb17 [1,0,0,1,0,0|2,0,0]=4 582 B13R1.646 CCC(CC)N1CCO[C@H](C1)CC d0f6e0b6f523709b9ba8cff2d4bc2662 [1,0,0,1,0,0|2,0,0]=4 583 B13R1.646 CCC(CC)N1CCO[C@H](C1)CO 8f01ff24844dc7f328e65c7f07e675f9 [1,0,0,1,0,0|2,0,0]=4 584 B13R1.646 CCC(CO)N1CCCC(C1)CO a9c0d0a47f4068327d371700f7c13fdc [1,0,0,1,0,0|1,0,0]=3 585 B13R1.646 CCC(CO)N1CCCC(C1)OC 3a3a96a1de780cb7a602a8adcc95b68a [1,0,0,1,0,0|2,0,0]=4 586 B13R1.646 CCC(CO)N1CCC[C@@H](C1)CO 47a46e12472f514be50891d60075eb29 [1,0,0,1,0,0|1,0,0]=3 587 B13R1.646 CCC(CO)N1CCC[C@@H](C1)OC 973f5322ebf9c71425bceedcd5102d52 [1,0,0,1,0,0|2,0,0]=4 588 B13R1.646 CCC(CO)N1CCC[C@H](C1)CO 7f5c5e6080462636a5c7d684a7fa07d7 [1,0,0,1,0,0|1,0,0]=3 589 B13R1.646 CCC(CO)N1CCC[C@H](C1)OC e6feffe337543e3f03856eb07951ccd0 [1,0,0,1,0,0|2,0,0]=4 590 B13R1.646 CCC(CO)N1CCOC(C1)CCl d5fd653c06d3138582701a0abb333160 [1,0,0,1,0,0|2,0,0]=4 591 B13R1.646 CCC(CO)N1CCOC(C1)CO ff6216a8839b5e7bf8fc019effbc2be4 [1,0,0,1,0,0|1,0,0]=3 592 B13R1.646 CCC(CO)N1CCO[C@@H](C1)CC ea9add6bb38151d0255c3cf5046b3ca5 [1,0,0,1,0,0|1,0,0]=3 593 B13R1.646 CCC(CO)N1CCO[C@@H](C1)CO 210b8e47f2be3bac169bcdb3f9a71e18 [1,0,0,1,0,0|1,0,0]=3 594 B13R1.646 CCC(CO)N1CCO[C@H](C1)CC 6c232d26496745bd7e9d5e627f3584af [1,0,0,1,0,0|1,0,0]=3 595 B13R1.646 CCC(CO)N1CCO[C@H](C1)CO f23fa8415922a2c1d4648c6a76efc83a [1,0,0,1,0,0|1,0,0]=3 596 B13R1.646 CCC1CCCN(C1)C(CC)CC abdb34a44387cc6d0e23e44c9c78c030 [1,0,0,1,0,0|2,0,0]=4 597 B13R1.646 CCC1CCCN(C1)C(CC)CO deddf669e5f156baafb747cfacb5e05c [1,0,0,1,0,0|1,0,0]=3 598 B13R1.646 CCC1CCCN(C1)C(CO)CO b8c3e33754227ec430e90a50b101e440 [1,0,0,1,0,0|2,0,0]=4 599 B13R1.646 CCC1CN(CCO1)C(CC)CC 461621d870f20e609a9a64706f8d376c [1,0,0,1,0,0|2,0,0]=4 600 B13R1.646 CCC1CN(CCO1)C(CC)CO d7ad3e68d3738630c156f2233e6a7203 [1,0,0,1,0,0|1,0,0]=3 601 B13R1.646 CCC1CN(CCO1)C(CO)CO 9f51f93e982206406775c5e429ee2492 [1,0,0,1,0,0|2,0,0]=4 602 B13R1.646 CC[C@@H]1CN(CCO1)C(CO)CO c6439118695b67ff44c64f88b6df66cd [1,0,0,1,0,0|2,0,0]=4 603 B13R1.646 CC[C@H]1CN(CCO1)C(CO)CO d8fcb3e6381d3eab2e21863301fc6087 [1,0,0,1,0,0|2,0,0]=4 604 B13R1.646 OCC(CO)N1CCC[C@@H](C1)CO 7a7f20136a7086a070f77810ed662565 [1,0,0,1,0,0|2,0,0]=4 605 B13R1.646 OCC(CO)N1CCC[C@H](C1)CO 180350edf0e3ad41dadbb31f89dd7dd4 [1,0,0,1,0,0|2,0,0]=4 606 B13R1.646 OCC(CO)N1CCO[C@@H](C1)CO ea2bde4819d6c23f3351ede222f41c15 [1,0,0,1,0,0|2,0,0]=4 607 B13R1.646 OCC(CO)N1CCO[C@H](C1)CO 1f3dfebf8a1887685961bf355d62beb8 [1,0,0,1,0,0|2,0,0]=4 608 B13R1.646 OCC1CCCN(C1)C(CO)CO 40ddb1d2be7620105e1fb80e4401da19 [1,0,0,1,0,0|2,0,0]=4 609 B13R1.646 OCC1CN(CCO1)C(CO)CO e4f48c559935049a0a9e585b5a87626e [1,0,0,1,0,0|2,0,0]=4 610 B13R1.917 CC1CCCN(CC1)C(CO)CO 4f5beae17613015c755f19a92bee06d6 [1,0,0,1,0,0|2,0,0]=4 611 B13R1.917 CCC(CC)N1CCCC(CC1)C 6d02331a2d75d3164f04e210a6b32a91 [1,0,0,1,0,0|2,0,0]=4 612 B13R1.917 CCC(CC)N1CCCC(CC1)O 6f02f3516712aee0110b89d9a991e3d1 [1,0,0,1,0,0|2,0,0]=4 613 B13R1.917 CCC(CC)N1CCC[C@@H](CC1)O b4c272d603dde15611bf52ec34620dda [1,0,0,1,0,0|2,0,0]=4 614 B13R1.917 CCC(CC)N1CCC[C@H](CC1)O f5acf318841dc38363209e6658faf9e0 [1,0,0,1,0,0|2,0,0]=4 615 B13R1.917 CCC(CO)N1CCCC(CC1)C 26140886dedb3649f3bdcac9f6865593 [1,0,0,1,0,0|1,0,0]=3 616 B13R1.917 CCC(CO)N1CCCC(CC1)F d60a6de404846e2583382ccbcab15aa8 [1,0,0,1,0,0|2,0,0]=4 617 B13R1.917 CCC(CO)N1CCCC(CC1)O 5b7b68368c03442767ca9ebaf5bd250f [1,0,0,1,0,0|1,0,0]=3 618 B13R1.917 CCC(CO)N1CCCN(CC1)C 6ba43370a7555b6584f4127b65154796 [1,0,0,1,0,0|2,0,0]=4 619 B13R1.917 CCC(CO)N1CCC[C@@H](CC1)O 6b1352ed9ed824c18b3d65487a24be6d [1,0,0,1,0,0|1,0,0]=3 620 B13R1.917 CCC(CO)N1CCC[C@H](CC1)O 2d12d32f9ca741180e7974d85ffe409b [1,0,0,1,0,0|1,0,0]=3 621 B13R1.917 CCC(CO)N1CCNC(=O)CC1 1e71568fbc842d4872a112eb8685c418 [1,0,0,1,0,0|0,0,2]=4 622 B13R1.917 OCC(CO)N1CCCC(CC1)O 2a87e3e749b6ed5ffbafea5470cd1a64 [1,0,0,1,0,0|2,0,0]=4 623 B13R1.917 OCC(CO)N1CCC[C@@H](CC1)O 261c55a6ba0fcb06f93dc577bb8038cc [1,0,0,1,0,0|2,0,0]=4 624 B13R1.917 OCC(CO)N1CCC[C@H](CC1)O bff7cef841beaea3201d45e9eb12ed8f [1,0,0,1,0,0|2,0,0]=4 625 B13R1.1720 CCC(C)NCC1CC1(CC)CC 375a7ac42df937eae4c359acb8e92afe [1,0,0,1,0,0|2,0,0]=4 626 B13R1.1720 CCC1(CC1CNC(C)CO)CC 42c7dff1ce109e2946d57c24d08ef272 [1,0,0,1,0,0|2,0,0]=4 627 B13R1.1720 CCC1(CC1CN[C@@H](C)CO)CC 36247a8ab104e92641e552c7de273cdd [1,0,0,1,0,0|2,0,0]=4 628 B13R1.1720 CCC1(CC1CN[C@H](C)CO)CC 57b76c99357704b2cdc3b765e24bf23b [1,0,0,1,0,0|2,0,0]=4 629 B13R1.1859 CCC(C)N1CCCC1(CC)CO 97e31120b5ce0bd7709969555c3793c1 [1,0,0,1,0,0|1,0,0]=3 630 B13R1.2171 CCC1CCCN(CC1)C(C)CC 78fefc6fdcc1dc6b98372414e83ba192 [1,0,0,1,0,0|2,0,0]=4 631 B13R1.2171 CCC1CCCN(CC1)C(C)CO 4310389a3c9b048863884238a505e0fd [1,0,0,1,0,0|2,0,0]=4 632 B13R1.2171 CCC1CCCN(CC1)[C@@H](C)CO 9c2fbd5c5025d6487c79cb45f96cf9cc [1,0,0,1,0,0|2,0,0]=4 633 B13R1.2171 CCC1CCCN(CC1)[C@H](C)CO 673252b749161f827b2c1843b8e66c19 [1,0,0,1,0,0|2,0,0]=4 634 B13R1.2330 CCC(CC)NCC1CC(C1)CO 13ccbfe08fef1c25321a4d9a065e23b0 [1,0,0,1,0,0|2,0,0]=4 635 B13R1.2330 CCC(CO)NCC1CC(C1)CO 23dc87f2e5a21577b291e380d054b685 [1,0,0,1,0,0|1,0,0]=3 636 B13R1.2330 CCC(CO)NCC1CC(C1)OC 5d8f4206834f20cfd84ed6877f987d88 [1,0,0,1,0,0|2,0,0]=4 637 B13R1.2330 CCC(CO)NCC1CN(C1)CC 866e75ac3124bd9cb47f57d9f02bc7bc [1,0,0,1,0,0|2,0,0]=4 638 B13R1.2330 CC[C@@H](CO)NCC1CC(C1)CO 3808aac8121314a0467f9e39f2184757 [1,0,0,1,0,0|1,0,0]=3 639 B13R1.2330 CC[C@@H](CO)NCC1CC(C1)OC acba10e223632b4aea0d1744002ad689 [1,0,0,1,0,0|2,0,0]=4 640 B13R1.2330 CC[C@H](CO)NCC1CC(C1)CO 545db469a4b76469584987ef7837a10c [1,0,0,1,0,0|1,0,0]=3 641 B13R1.2330 CC[C@H](CO)NCC1CC(C1)OC 8999e91a1254216572ea5eaf5a5658ac [1,0,0,1,0,0|2,0,0]=4 642 B13R1.2330 OCC1CC(C1)CNC(CO)CO c45337a3dc02e5cf181c86857ed41e4b [1,0,0,1,0,0|2,0,0]=4 643 B13R1.39 CCC(C=O)N1CCC(CC1)CO 74d4a67a546931f656410b26f29fdbb0 [0,0,0,1,1,0|0,0,2]=4 644 B13R1.39 CCC(CC)N1CCC(CC1)CF 86f23f1429385f7c988cc30b7530f02c [0,0,0,1,1,0|2,0,0]=4 645 B13R1.39 CCC(CC)N1CCC(CC1)CO 727f2b64af7b839dde7a0ea01ca51f06 [0,0,0,1,1,0|1,0,0]=3 646 B13R1.39 CCC(CC)N1CCN(CC1)CO 1caa974b69acadcd1730964bdee4e467 [0,0,0,1,1,0|2,0,0]=4 647 B13R1.39 CCC(CO)N1CCC(CC1)C#N dcdba88ef5c1c3610029e484bd93f2fb [0,0,0,1,1,0|1,0,1]=4 648 B13R1.39 CCC(CO)N1CCC(CC1)C=O c2239e64c222eed58fe89e8ce16ac8fb [0,0,0,1,1,0|0,0,2]=4 649 B13R1.39 CCC(CO)N1CCC(CC1)CF 98acf6713d4e4e055c5eab66a8250f1b [0,0,0,1,1,0|1,0,0]=3 650 B13R1.39 CCC(CO)N1CCC(CC1)CO ccecd9e2f05985b78df26d4dedcf16b2 [0,0,0,1,1,0|0,0,0]=2 651 B13R1.39 CCC(CO)N1CCC(CC1)OC 0c4e98ebfb3d955942203f905fa24424 [0,0,0,1,1,0|2,0,0]=4 652 B13R1.39 CCC(CO)N1CCC(CC1)SC bff44212a3fa90413903be6b84c7d17b [0,0,0,1,1,0|2,0,0]=4 653 B13R1.39 CCC(CO)N1CCN(CC1)CC 747a78d131e531a5d48bcd0ca67af86d [0,0,0,1,1,0|2,0,0]=4 654 B13R1.39 CCC1CCN(CC1)C(CC)CC 436148d4f9fa04795d18d409fd3f9a35 [0,0,0,1,1,0|2,0,0]=4 655 B13R1.39 CCC1CCN(CC1)C(CC)CO f7d3b677d32d70095527fe6c57cac2cf [0,0,0,1,1,0|1,0,0]=3 656 B13R1.39 CCC1CCN(CC1)C(CO)CO 2bddc4e80b44a5c63489972dab9c763d [0,0,0,1,1,0|2,0,0]=4 657 B13R1.39 OCC(CO)N1CCC(CC1)CF 4c03f1684f8cc46c7d44a390bf564654 [0,0,0,1,1,0|2,0,0]=4 658 B13R1.39 OCC1CCN(CC1)C(CF)CF d29e9f6a9bff558f0a09b5b25561139f [0,0,0,1,1,0|2,0,0]=4 659 B13R1.39 OCC1CCN(CC1)C(CO)CO 28dc59b113f93845ceb2fa8552b50209 [0,0,0,1,1,0|1,0,0]=3 660 B13R1.415 C=C[C@@H](CO)NCCC1CCOC1 b460860318d015c88ec499ea0e487ebb [0,0,0,1,1,0|0,0,2]=4 661 B13R1.415 CCC(C=O)NCCC1CCOC1 7729790e7a3b2c0c4ae74aa81ad6607d [0,0,0,1,1,0|0,0,2]=4 662 B13R1.415 CCC(CC)CCNC1CCCC1 2ba425932c11022596398ccb23a1cade [0,0,0,1,1,0|2,0,0]=4 663 B13R1.415 CCC(CC)CCNC1CCOC1 ffe2a3d0da7c46197df1f8a8e0ca6c87 [0,0,0,1,1,0|1,0,0]=3 664 B13R1.415 CCC(CC)CCN[C@@H]1CCOC1 c3ac5fd66a0013f44673d8d4373aa361 [0,0,0,1,1,0|1,0,0]=3 665 B13R1.415 CCC(CC)CCN[C@H]1CCOC1 93de6892227ac80114a9a8e3bcd17bcc [0,0,0,1,1,0|1,0,0]=3 666 B13R1.415 CCC(CC)NCCC1CCCC1 4143047f463d41b4c4fcd48b9d913a56 [0,0,0,1,1,0|2,0,0]=4 667 B13R1.415 CCC(CC)NCCC1CCOC1 a58a4ef2295cc56d8ce331b2c2ffbdfe [0,0,0,1,1,0|1,0,0]=3 668 B13R1.415 CCC(CC)OCCC1CCOC1 da7652e26bfcee3042f12fb4757c13aa [0,0,0,1,1,0|2,0,0]=4 669 B13R1.415 CCC(CO)CNCC1CCOC1 73970e23e3e9931865f5e56ddfb3e3ec [0,0,0,1,1,0|2,0,0]=4 670 B13R1.415 CCC(CO)CNC[C@@H]1CCOC1 ab88a5f06c5ea121ca30435ecc75f08b [0,0,0,1,1,0|2,0,0]=4 671 B13R1.415 CCC(CO)CNC[C@H]1CCOC1 2780dd52fdbe5525d51a5f7be58e282f [0,0,0,1,1,0|2,0,0]=4 672 B13R1.415 CCC(CO)NCCC1CCCC1 51aec678904ca1a3f7f3cdf31e757034 [0,0,0,1,1,0|1,0,0]=3 673 B13R1.415 CCC(CO)NCCC1CCCO1 1914e9dfa1de871bfcabaf0a39754d8b [0,0,0,1,1,0|2,0,0]=4 674 B13R1.415 CCC(CO)NCCC1CCOC1 f0746cf758ca0af1470de39c39c616e8 [0,0,0,1,1,0|0,0,0]=2 675 B13R1.415 CCC(CO)NCCN1CCCC1 8a180e02df3d64079f9a75929f1421fe [0,0,0,1,1,0|2,0,0]=4 676 B13R1.415 CCN(CC)CCNC1CCOC1 59f0b112a0fbe46369ad11c4657f210f [0,0,0,1,1,0|2,0,0]=4 677 B13R1.415 CCN(CC)CCN[C@@H]1CCOC1 846e70ceb6960197200d41b3018e4571 [0,0,0,1,1,0|2,0,0]=4 678 B13R1.415 CCN(CC)CCN[C@H]1CCOC1 290a9d49c1a4cca6ac7c21b16e727a53 [0,0,0,1,1,0|2,0,0]=4 679 B13R1.415 CC[C@@H](CO)NCCC1CCCC1 c73ce7402672c1fb8212a81be964a179 [0,0,0,1,1,0|1,0,0]=3 680 B13R1.415 CC[C@@H](CO)NCCC1CCCO1 8d1bc7fa02421a0559e094f8c279d96d [0,0,0,1,1,0|2,0,0]=4 681 B13R1.415 CC[C@@H](CO)NCCC1CCOC1 44f555dc9b51afe59816a9b6f646db18 [0,0,0,1,1,0|0,0,0]=2 682 B13R1.415 CC[C@@H](CO)NCCN1CCCC1 882b790edc669e7b9fd55845cd982847 [0,0,0,1,1,0|2,0,0]=4 683 B13R1.415 CC[C@H](CO)NCCC1CCCC1 c25dec10fb4d2efdc92d71de8cd7e27d [0,0,0,1,1,0|1,0,0]=3 684 B13R1.415 CC[C@H](CO)NCCC1CCCO1 a55618beb3d0853d52eb14ff40759456 [0,0,0,1,1,0|2,0,0]=4 685 B13R1.415 CC[C@H](CO)NCCC1CCOC1 d12e8e3193a4cb0d0a10f1929fcc85bc [0,0,0,1,1,0|0,0,0]=2 686 B13R1.415 CC[C@H](CO)NCCN1CCCC1 8d77f2c6d15190f8d15b8d89cee3b0bf [0,0,0,1,1,0|2,0,0]=4 687 B13R1.415 FCC(CF)NCCC1CCOC1 1d299ae969ac25adb29119a370aa8cd9 [0,0,0,1,1,0|2,0,0]=4 688 B13R1.415 OCC(CO)CCNC1CCCC1 278fee15d2fc8c5646c45754f200c04a [0,0,0,1,1,0|2,0,0]=4 689 B13R1.415 OCC(CO)CCNC1CCOC1 6fd51329fbe44942f233652a3902c0d0 [0,0,0,1,1,0|1,0,0]=3 690 B13R1.415 OCC(CO)CCN[C@@H]1CCOC1 9e37824d4ed03a02cd156f18652aa9df [0,0,0,1,1,0|1,0,0]=3 691 B13R1.415 OCC(CO)CCN[C@H]1CCOC1 7c482db6497bbf75626908bfb54e8b71 [0,0,0,1,1,0|1,0,0]=3 692 B13R1.415 OCC(CO)NCCC1CCCC1 6ad16542f9f3fd3e51911380667448e3 [0,0,0,1,1,0|2,0,0]=4 693 B13R1.415 OCC(CO)NCCC1CCOC1 d2edeebb09f982aaca11f5f40782e8dd [0,0,0,1,1,0|1,0,0]=3 694 B13R1.415 OCC(CO)OCCC1CCOC1 7d1f7aec5e38e407c6164e28ee1eb3dd [0,0,0,1,1,0|2,0,0]=4 695 B13R1.3046 CC1C(CCN1C(CF)CF)CO ff2050660fffd1e2cb50d68f5a8e3e59 [0,0,0,1,1,0|2,0,0]=4 696 B13R1.3046 CC1C(CCN1C(CO)CO)CO fdb966a750cd2aa16e543ed0174a43d9 [0,0,0,1,1,0|1,0,0]=3 697 B13R1.3046 CCC(C=O)N1CCC(C1C)CO 0c32d573993ddba17ad88d5ea0e965de [0,0,0,1,1,0|0,0,2]=4 698 B13R1.3046 CCC(C=O)N1CC[C@@H]([C@@H]1C)CO bf5ec050b135ee659c2cb199ee2bff2a [0,0,0,1,1,0|0,0,2]=4 699 B13R1.3046 CCC(C=O)N1CC[C@H]([C@@H]1C)CO bb9d43a7f8604a5072d9c1d3c7f656aa [0,0,0,1,1,0|0,0,2]=4 700 B13R1.3046 CCC(CC)N1CCC(C1C)CO 6f84da4462762455bc1b4c97d18cecd6 [0,0,0,1,1,0|1,0,0]=3 701 B13R1.3046 CCC(CC)N1CC[C@@H]([C@@H]1C)CO fdd040ec78fdc1df7ef2b8df6258e149 [0,0,0,1,1,0|1,0,0]=3 702 B13R1.3046 CCC(CC)N1CC[C@H]([C@@H]1C)CO 4783022455b1ff6835ccf2e3d5250e9b [0,0,0,1,1,0|1,0,0]=3 703 B13R1.3046 CCC(CO)N1CCC(C1C)CO 2277deaabf8141d1809caa16c80c3f84 [0,0,0,1,1,0|0,0,0]=2 704 B13R1.3046 CCC(CO)N1CC[C@@H]([C@@H]1C)CO 037de295a0bfc641bc97b7a2ae9a944d [0,0,0,1,1,0|0,0,0]=2 705 B13R1.3046 CCC(CO)N1CC[C@H]([C@@H]1C)CO 2519a8529a46cb6b05cb4693340727dd [0,0,0,1,1,0|0,0,0]=2 706 B13R1.3046 C[C@H]1[C@@H](CCN1C(CF)CF)CO 26d332347d1b9ad94638c68d877a523d [0,0,0,1,1,0|2,0,0]=4 707 B13R1.3046 C[C@H]1[C@@H](CCN1C(CO)CO)CO 120a745551fe250e4e613843de8c3bc3 [0,0,0,1,1,0|1,0,0]=3 708 B13R1.3046 C[C@H]1[C@H](CCN1C(CF)CF)CO 68a8a3b015262adbcd70f2061567eaec [0,0,0,1,1,0|2,0,0]=4 709 B13R1.3046 C[C@H]1[C@H](CCN1C(CO)CO)CO aff99ebe9825b44b021471f5fdd7a93a [0,0,0,1,1,0|1,0,0]=3 710 B13R1.4410 CCC(C=O)NCCC1(CC1)CO 72f884f53e16ed624b5ef28626d1eede [0,0,0,1,1,0|0,0,2]=4 711 B13R1.4410 CCC(CC)NCCC1(CC1)CO 70de533dc30825e7b80a6056e0089136 [0,0,0,1,1,0|1,0,0]=3 712 B13R1.4410 CCC(CO)CNCC1(CC1)CO dd9ac09d4e272d3bcedadc66e43329ae [0,0,0,1,1,0|2,0,0]=4 713 B13R1.4410 CCC(CO)NCCC1(CC1)CO 7a5b3dcdc2cb0575476e7bc919c9d49c [0,0,0,1,1,0|0,0,0]=2 714 B13R1.4410 OCC(CO)NCCC1(CC1)CO abcb72f6cc5bc8d356ca7726059f2a22 [0,0,0,1,1,0|1,0,0]=3 715 B15R1.72 CCC(CC)CN1CCCC(C1C)CO 8ea3cfea2da0b7b2d71238e6f6f55bbc [0,0,0,1,0,1|2,0,0]=4 716 B15R1.72 CCC(CC)CN1CCC[C@@H]([C@@H]1C)CO 1ed2397d59bd76c20f50e223400bc2f2 [0,0,0,1,0,1|2,0,0]=4 717 B15R1.72 CCC(CC)CN1CCC[C@@H]([C@H]1C)CO 9dea16f7908e285cceb78f9afc3581e9 [0,0,0,1,0,1|2,0,0]=4 718 B15R1.72 CCC(CC)CN1CCC[C@H]([C@H]1C)CO 201f252c4bb607d089ae1eb5f4e745ab [0,0,0,1,0,1|2,0,0]=4 719 B15R1.72 CCC(CO)CN1CCCC(C1C)CO e144de37e752cc495a60a6164bd8de78 [0,0,0,1,0,1|1,0,0]=3 720 B15R1.72 CCC(CO)CN1CCC[C@@H]([C@@H]1C)CO 6619d597c280163d22df4266b5142fba [0,0,0,1,0,1|1,0,0]=3 721 B15R1.72 CCC(CO)CN1CCC[C@@H]([C@H]1C)CO e03b216b59df4805cbeb879b3dc09b0b [0,0,0,1,0,1|1,0,0]=3 722 B15R1.72 CCC(CO)CN1CCC[C@H]([C@H]1C)CO 918789c11c4d864ecda7fd94f2a53fe0 [0,0,0,1,0,1|1,0,0]=3 723 B15R1.207 CCC(CC)CNC1CCC(CC1)CO fe9c42149f0159dba7c4c2f2062c9f6f [0,0,0,1,0,1|2,0,0]=4 724 B15R1.207 CCC(CC)CN[C@H]1CC[C@@H](CC1)CO a76129be1da60fd1fad4b18f0119376b [0,0,0,1,0,1|2,0,0]=4 725 B15R1.207 CCC(CC)CN[C@H]1CC[C@H](CC1)CO 31298e46c3cd2ccc9f186c411dbc90f1 [0,0,0,1,0,1|2,0,0]=4 726 B15R1.207 CCC(CC)NCC1CCC(CC1)CO 9c182264105b86a2628d65194f6ad083 [0,0,0,1,0,1|2,0,0]=4 727 B15R1.207 CCC(CC)NC[C@H]1CC[C@@H](CC1)CO 04d33b9bbebf85ab2e15277addb5eeb6 [0,0,0,1,0,1|2,0,0]=4 728 B15R1.207 CCC(CO)CNC1CCC(CC1)CO 1ab85df3eb975b1cc40205e3f5c7001a [0,0,0,1,0,1|1,0,0]=3 729 B15R1.207 CCC(CO)CN[C@H]1CC[C@@H](CC1)CO 9163515206f56860c1133c4815cd2126 [0,0,0,1,0,1|1,0,0]=3 730 B15R1.207 CCC(CO)CN[C@H]1CC[C@H](CC1)CO 29067b425872330ca8a6a6171935984f [0,0,0,1,0,1|1,0,0]=3 731 B15R1.207 CCC(CO)NCC1CCC(CC1)CO 2a3c8201c99106ad478168fda0059411 [0,0,0,1,0,1|1,0,0]=3 732 B15R1.207 CCC(CO)NC[C@H]1CC[C@@H](CC1)CC 50acc12ee3142ae042a3a81ebf286b27 [0,0,0,1,0,1|2,0,0]=4 733 B15R1.207 CCC(CO)NC[C@H]1CC[C@@H](CC1)CO 9bb631a6e9792d517b810fd85e819e0c [0,0,0,1,0,1|1,0,0]=3 734 B15R1.207 CCC1CCC(CC1)NCC(CC)CO 9f3f2ddb41e8a0d25960218dee07491c [0,0,0,1,0,1|2,0,0]=4 735 B15R1.207 CC[C@@H](CO)NC[C@H]1CC[C@@H](CC1)CC bbff860ce57b5c467b49f2ba905e3392 [0,0,0,1,0,1|2,0,0]=4 736 B15R1.207 CC[C@H](CO)NC[C@H]1CC[C@@H](CC1)CC ba851f6de56f7d1c2fbae1ddd0b86dad [0,0,0,1,0,1|2,0,0]=4 737 B15R1.207 CO[C@@H](CO)CNC1CCC(CC1)CO 3bfb71bde89d6f3472fed43f1ac8145c [0,0,0,1,0,1|2,0,0]=4 738 B15R1.207 OCC(CO)NC[C@H]1CC[C@@H](CC1)CO 30d7d4be498eb85c591569334cb90e26 [0,0,0,1,0,1|2,0,0]=4 739 B15R1.207 OCC1CCC(CC1)CNC(CO)CO 23549c78f06f469287f967fd966044c5 [0,0,0,1,0,1|2,0,0]=4 740 B15R1.207 OCC1CCC(CC1)NCC(CO)CO 8ad53bb1e684b6df94548277baf3c6e1 [0,0,0,1,0,1|2,0,0]=4 741 B15R1.465 CCC(CC)CNCCCC1CCOC1 5c8d6331045cc3699bb0b79b3a556faa [0,0,0,1,0,1|2,0,0]=4 742 B15R1.465 CCC(CC)CNCCOC1CCOC1 488d7dfaf87b3d8b9d748a8c65bd2fd0 [0,0,0,1,0,1|2,0,0]=4 743 B15R1.465 CCC(CO)CNCCCC1CCCC1 facd925f81ee4db224c2bf8806a52163 [0,0,0,1,0,1|2,0,0]=4 744 B15R1.465 CCC(CO)CNCCCC1CCOC1 28d4985d5e878193f2da3ecaee790172 [0,0,0,1,0,1|1,0,0]=3 745 B15R1.465 CCC(CO)CNCCOC1CCCC1 4ee062d6074a0db2516dc217fd11f0b1 [0,0,0,1,0,1|2,0,0]=4 746 B15R1.465 CCC(CO)CNCCOC1CCOC1 d827f22df1a95259a8ffae2fac10c73e [0,0,0,1,0,1|1,0,0]=3 747 B15R1.465 CCC(CO)CNCCSC1CCCC1 b8f739eed7bb9dccd2bd2e48a5f04977 [0,0,0,1,0,1|2,0,0]=4 748 B15R1.465 CCC(CO)NCCCCC1CCCC1 3f60ad715e5f6e331ab48f3f2322d706 [0,0,0,1,0,1|2,0,0]=4 749 B15R1.465 CCC(CO)NCCCOC1CCCC1 2d2f25bf1735644ae4c137cadf2af150 [0,0,0,1,0,1|2,0,0]=4 750 B15R1.465 CO[C@@H](CO)CNCCOC1CCOC1 4db0f41f5341ec2db3c3ea7f52d036b1 [0,0,0,1,0,1|2,0,0]=4 751 B15R1.465 OCC(CO)CCCCNC1CCOC1 6bb6ac1002869836895f812fe7065a74 [0,0,0,1,0,1|2,0,0]=4 752 B15R1.465 OCC(CO)CCCCN[C@@H]1CCOC1 f2a95f67ccc9a16d3035c4956c43cf23 [0,0,0,1,0,1|2,0,0]=4 753 B15R1.465 OCC(CO)CCCCN[C@H]1CCOC1 cc48538a31e9f88dacd2cba686f29c6e [0,0,0,1,0,1|2,0,0]=4 754 B15R1.465 OCC(CO)CNCCOC1CCOC1 f154c84ed329855950ae7f60c2e296b3 [0,0,0,1,0,1|2,0,0]=4 755 B15R1.8727 CCC(CO)CNCC1CC1(CC)CC 6b15ac9b1d5b6c93b1b4b4c5e2f25833 [0,0,0,1,0,1|2,0,0]=4 756 B15R1.15385 CCC1CCCN(CC1)CC(CC)CO df22f353dfbc89aefe480d440d87af2d [0,0,0,1,0,1|2,0,0]=4 757 B15R1.30765 CCC(CC)CN1CCCC1(CC)CO eea8e3be8b0060ec79a3746b5b257579 [0,0,0,1,0,1|2,0,0]=4 758 B15R1.30765 CCC(CO)CN1CCCC1(CC)CO 874ad094193000b201822cf581202d5d [0,0,0,1,0,1|1,0,0]=3 759 B15R1.218 CCC(CC)N(C)C1CCC(CC1)CO 9cb56628bad33296ed7b5bfc0f372830 [0,1,0,1,0,0|2,0,0]=4 760 B15R1.218 CCC(CC)N(C)[C@H]1CC[C@@H](CC1)CO 7dd2d3eaed59283f3f1288e1bdf73b6b [0,1,0,1,0,0|2,0,0]=4 761 B15R1.218 CCC(CC)N(C)[C@H]1CC[C@H](CC1)CO 2fe68f314490517d333267ef0383625e [0,1,0,1,0,0|2,0,0]=4 762 B15R1.218 CCC(CO)N(C)C1CCC(CC1)CO 8f9a5af0fbcc93433eab50fce467e119 [0,1,0,1,0,0|1,0,0]=3 763 B15R1.218 CCC(CO)N(C)[C@H]1CC[C@@H](CC1)CO 2b67a6d19724f145bdd960ed0ffdf0cf [0,1,0,1,0,0|1,0,0]=3 764 B15R1.218 CCC(CO)N(C)[C@H]1CC[C@H](CC1)CO cb89daf642feb02e6ffde06e420909cc [0,1,0,1,0,0|1,0,0]=3 765 B15R1.218 CCC1CCC(CC1)N(C)C(CC)CO 42bc49776602b2543bd91fbdeb245a35 [0,1,0,1,0,0|2,0,0]=4 766 B15R1.218 CN(C(CO)CO)C1CCC(CC1)CO c7ced380620f2ae07e533a7e77577dfc [0,1,0,1,0,0|2,0,0]=4 767 B15R1.218 CN(C(CO)CO)[C@H]1CC[C@@H](CC1)CO 4cd4c3d7d96b9128b8ce62470b14f99a [0,1,0,1,0,0|2,0,0]=4 768 B15R1.218 CN(C(CO)CO)[C@H]1CC[C@H](CC1)CO 3014659ba87fae4ca5cf9a74a7992866 [0,1,0,1,0,0|2,0,0]=4 769 B15R1.10076 CCC(CC)N(C)CCOC1CCOC1 5aca59a9b6d7570a46deba5edc7408e9 [0,1,0,1,0,0|2,0,0]=4 770 B15R1.30470 CCC(CO)N1CCOC(C1)(CC)CC 5e8541c75330b27cf68bd0649377a598 [0,1,0,1,0,0|2,0,0]=4 771 B15R1.19 CCC(CC)NC1CCC(CC1)CCO 8b6f6d23ba1ad672df06bbbd8032845d [0,1,0,1,0,0|2,0,0]=4 772 B15R1.19 CCC(CC)N[C@H]1CC[C@@H](CC1)CCO 99a16be7cafa93351dc24fa8b6a22af7 [0,1,0,1,0,0|2,0,0]=4 773 B15R1.19 CCC(CO)NC1CCC(CC1)CCO 9ab875d1be26b09d011499502826b024 [0,1,0,1,0,0|1,0,0]=3 774 B15R1.19 CCC(CO)NC1CCN(CC1)CCO d3ace310e15db6c17ade49d63d8a8528 [0,1,0,1,0,0|2,0,0]=4 775 B15R1.19 CCC(CO)N[C@H]1CC[C@@H](CC1)CC#N a22a52c361f3f20f99f352623f3b0963 [0,1,0,1,0,0|2,0,0]=4 776 B15R1.19 CCC(CO)N[C@H]1CC[C@@H](CC1)CCO 1b44b496edb4a236dc32f8546a99a221 [0,1,0,1,0,0|1,0,0]=3 777 B15R1.19 CCC(CO)N[C@H]1CC[C@H](CC1)CC#N e6e26cfab576e7e7fab01696f8cf5577 [0,1,0,1,0,0|2,0,0]=4 778 B15R1.19 CCCC1CCC(CC1)NC(CC)CO b6bc1d36447ed8223c93d5d5434c9b3c [0,1,0,1,0,0|2,0,0]=4 779 B15R1.19 CCOC1CCC(CC1)NC(CC)CO 7624e650254d7a91752ec94809bf6805 [0,1,0,1,0,0|2,0,0]=4 780 B15R1.19 OCCC1CCC(CC1)NC(CO)CO 69c78647e0551a38bc15c9920753233b [0,1,0,1,0,0|2,0,0]=4 781 B15R1.19 OCC[C@H]1CC[C@@H](CC1)NC(CO)CO 55a147e65212e0eed1894af4abb07fe1 [0,1,0,1,0,0|2,0,0]=4 782 B15R1.179 CCC(CC#N)NCCOC1CCOC1 dfdb7961799195a984a61cd6a1652324 [0,1,0,1,0,0|2,0,0]=4 783 B15R1.179 CCC(COC)NCCCC1CCCC1 4fdc5693f7e58cdff24481f86d5e17dd [0,1,0,1,0,0|2,0,0]=4 784 B15R1.179 CCC(COC)NCCOC1CCOC1 82eac2cd214016c2c19029261067c076 [0,1,0,1,0,0|1,0,0]=3 785 B15R1.179 CCC(COC)OCCOC1CCOC1 a15e3fa5c84d61ae074f01ed643975a2 [0,1,0,1,0,0|2,0,0]=4 786 B15R1.179 CCCC(CC)NCCCC1CCOC1 39b39dedec2b176fe59dc72cedb79252 [0,1,0,1,0,0|2,0,0]=4 787 B15R1.179 CCCC(CO)NCCCC1CCCC1 fe36414e4708d57fd706807273dc3c3a [0,1,0,1,0,0|2,0,0]=4 788 B15R1.179 CCCC(CO)NCCOC1CCOC1 9f3a97ac0858d021216bece7375e4a25 [0,1,0,1,0,0|1,0,0]=3 789 B15R1.179 CCC[C@@H](CO)NCCCC1CCCC1 1e8944fc15c430a1c2d8d027edb04bfb [0,1,0,1,0,0|2,0,0]=4 790 B15R1.179 CCC[C@@H](CO)NCCOC1CCOC1 f5d3ad62549a67c3e2db1a22cfb7f431 [0,1,0,1,0,0|1,0,0]=3 791 B15R1.179 CCC[C@H](CO)NCCCC1CCCC1 b07b0ba884226082df7b684feb895f48 [0,1,0,1,0,0|2,0,0]=4 792 B15R1.179 CCC[C@H](CO)NCCOC1CCOC1 89343b955e5af1efbc9d6d5fe7539d2d [0,1,0,1,0,0|1,0,0]=3 793 B15R1.179 CC[C@@H](CC#N)NCCOC1CCOC1 61c64ac7eff75df039ca15a20aee9a11 [0,1,0,1,0,0|2,0,0]=4 794 B15R1.179 CC[C@H](CC#N)NCCOC1CCOC1 ec86486e0f4912329b3f7c76df6ad172 [0,1,0,1,0,0|2,0,0]=4 795 B15R1.179 COCC(CO)NCCCC1CCCC1 c3c58ac478516664ae88627b4b90d53c [0,1,0,1,0,0|2,0,0]=4 796 B15R1.179 COCC(CO)NCCOC1CCOC1 2c4de13699d04893f83b2b70e2e460d9 [0,1,0,1,0,0|1,0,0]=3 797 B15R1.179 CSCC(CO)NCCCC1CCCC1 06476736990a2901497b806765e535c1 [0,1,0,1,0,0|2,0,0]=4 798 B15R1.179 CSCC(CO)NCCOC1CCOC1 2b8e85dbe924ccdac469780f9ab04196 [0,1,0,1,0,0|1,0,0]=3 799 B15R1.179 OCCC(CO)NCCCC1CCCC1 cd5cd34fa38cdb9484b107112699873e [0,1,0,1,0,0|2,0,0]=4 800 B15R1.179 OCCC(CO)NCCOC1CCOC1 c2f0bf41b7bfd2211b109824338ee25c [0,1,0,1,0,0|1,0,0]=3 801 B15R1.179 OCC[C@H](CO)NCCCC1CCCC1 03b29e51ce006dfe6bf9074fbcc6f16c [0,1,0,1,0,0|2,0,0]=4 802 B15R1.179 OCC[C@H](CO)NCCCC1CCOC1 21f352b42939958f7aedc5fcb1e8acd9 [0,1,0,1,0,0|1,0,0]=3 803 B15R1.179 OCC[C@H](CO)NCCOC1CCCC1 4b6178c62d646c0175b1333577fb435d [0,1,0,1,0,0|2,0,0]=4 804 B15R1.179 OCC[C@H](CO)NCCOC1CCOC1 3e0e756491bf257bfdb2d968771bc928 [0,1,0,1,0,0|1,0,0]=3 805 B15R1.179 OCC[C@H](CO)NCCSC1CCCC1 7d4e56d5b36ef7c664f66eae5cf1cadb [0,1,0,1,0,0|2,0,0]=4 806 B15R1.188 CC1C(CCCN1[C@@H](CO)CCO)CO 865091b2b6addb60756ac3085bc1208a [0,1,0,1,0,0|1,0,0]=3 807 B15R1.188 CCCC(CC)N1CCCC(C1C)CO dd081d04ebf22c5c9b7f389b490fdc68 [0,1,0,1,0,0|2,0,0]=4 808 B15R1.188 CCCC(CC)N1CCC[C@@H]([C@@H]1C)CO 3203a819ccedd11c4b30906f54efd6a2 [0,1,0,1,0,0|2,0,0]=4 809 B15R1.188 CCCC(CC)N1CCC[C@@H]([C@H]1C)CO f0dec3980fd4f7aeaac7e1d8ce19def9 [0,1,0,1,0,0|2,0,0]=4 810 B15R1.188 CCCC(CC)N1CCC[C@H]([C@H]1C)CO 403d7622619e5a70100923f4c741166d [0,1,0,1,0,0|2,0,0]=4 811 B15R1.188 C[C@@H]1[C@@H](CCCN1[C@@H](CO)CCO)CO ece79b07cbd39343bf77da85a368a395 [0,1,0,1,0,0|1,0,0]=3 812 B15R1.188 C[C@@H]1[C@H](CCCN1[C@@H](CO)CCO)CO 31e80d6efc32c71e6ef89d404b75a015 [0,1,0,1,0,0|1,0,0]=3 813 B15R1.188 C[C@H]1[C@H](CCCN1[C@@H](CO)CCO)CO 956561c9397e5de8ded93bb2814d0250 [0,1,0,1,0,0|1,0,0]=3 814 B15R1.452 CCC(CC)NCCCC1CCOCC1 8715afae26fc58d3ca72a14b5e15f66d [0,1,0,1,0,0|2,0,0]=4 815 B15R1.452 CCC(CO)NCCCC1CCCCC1 5632d164cd3206df81d511dd908a93a6 [0,1,0,1,0,0|2,0,0]=4 816 B15R1.452 CCC(CO)NCCCC1CCOCC1 cd99ee5972a8030dbf491cb34c34cb3c [0,1,0,1,0,0|1,0,0]=3 817 B15R1.452 CCC(CO)NCCCN1CCOCC1 8c7869854ee173b7d4155ad86f0677b6 [0,1,0,1,0,0|2,0,0]=4 818 B15R1.452 CCC(CO)NCCOC1CCCCC1 3b4a35d12e08873ef1b4a6d1bc24a8b7 [0,1,0,1,0,0|2,0,0]=4 819 B15R1.452 CCC(CO)NCCOC1CCCCO1 1aa51f0e34967d8f4d043b92f91a1b85 [0,1,0,1,0,0|2,0,0]=4 820 B15R1.452 CCC(CO)NCCSC1CCCCC1 d80827085b251f055685a408e38724f6 [0,1,0,1,0,0|2,0,0]=4 821 B15R1.452 CC[C@@H](CO)NCCCC1CCCCC1 52eb09ca46fb057d5c3b1e6dafc69ccb [0,1,0,1,0,0|2,0,0]=4 822 B15R1.452 CC[C@@H](CO)NCCCC1CCOCC1 128afc48cf2517531c446db3a5a58c4e [0,1,0,1,0,0|1,0,0]=3 823 B15R1.452 CC[C@@H](CO)NCCCN1CCOCC1 2a3cb778f46b69243566f3aabffb1a51 [0,1,0,1,0,0|2,0,0]=4 824 B15R1.452 CC[C@@H](CO)NCCOC1CCCCC1 e9c5879d1c8485fd0a9426a642681d46 [0,1,0,1,0,0|2,0,0]=4 825 B15R1.452 CC[C@@H](CO)NCCOC1CCCCO1 905631a4f290074d150cacbd4f772f64 [0,1,0,1,0,0|2,0,0]=4 826 B15R1.452 CC[C@H](CO)NCCCC1CCCCC1 f8691067294439e8c2f0757a4a8e9474 [0,1,0,1,0,0|2,0,0]=4 827 B15R1.452 CC[C@H](CO)NCCCC1CCOCC1 2a0de7bd4596f9bc469da7e7db4c90fa [0,1,0,1,0,0|1,0,0]=3 828 B15R1.452 CC[C@H](CO)NCCCN1CCOCC1 b61a004f5e6edb55b848e3cb0fa09ebc [0,1,0,1,0,0|2,0,0]=4 829 B15R1.452 CC[C@H](CO)NCCOC1CCCCC1 5be8849ec0ce501d1eaa4c2ea2c0a892 [0,1,0,1,0,0|2,0,0]=4 830 B15R1.452 CC[C@H](CO)NCCOC1CCCCO1 598d4818eaf5a3595ada0ac4ddede69f [0,1,0,1,0,0|2,0,0]=4 831 B15R1.452 OCC(CO)NCCCC1CCOCC1 8ee02b4f27f61c836e819e4e05efd46a [0,1,0,1,0,0|2,0,0]=4 832 B15R1.1580 CCC(CC)N1CCCC(C1CO)CO 3396fc66235b2824e87a0f44a99a2838 [0,1,0,1,0,0|2,0,0]=4 833 B15R1.1580 CCC(CO)N1CCCC(C1CO)CO 6a4066d9135eecc3cde20f927be4a7bb [0,1,0,1,0,0|1,0,0]=3 834 B15R1.1580 OCC1CCCN(C1CO)C(CO)CO a6cce0cfb43398b1c92a020799272573 [0,1,0,1,0,0|2,0,0]=4 835 B15R1.2624 CCC(CC#N)NC1CCC(CC1)CO ca7b648a93229665defa920bedb1ebf2 [0,1,0,1,0,0|2,0,0]=4 836 B15R1.2624 CCC(COC)NC1CCC(CC1)CO a55c650b8a89cadfed7019ff1c59ad89 [0,1,0,1,0,0|1,0,0]=3 837 B15R1.2624 CCC1CCC(CC1)N[C@@H](CO)CCO 6ea6c2a70d764263a0795410176a8c24 [0,1,0,1,0,0|2,0,0]=4 838 B15R1.2624 CCCC(CC)NC1CCC(CC1)CO 99c5a10b05d8fe67f8b1b98660177b9d [0,1,0,1,0,0|2,0,0]=4 839 B15R1.2624 CCCC(CC)N[C@H]1CC[C@@H](CC1)CO 5e330041c2bc35d5dc401d387d9d1053 [0,1,0,1,0,0|2,0,0]=4 840 B15R1.2624 CCCC(CC)N[C@H]1CC[C@H](CC1)CO df3bedccc9fa264620ea051e3bb94610 [0,1,0,1,0,0|2,0,0]=4 841 B15R1.2624 CCCC(CO)NC1CCC(CC1)CO 45a052ee3dc8664e0251eb34d0ae7efc [0,1,0,1,0,0|1,0,0]=3 842 B15R1.2624 CCC[C@@H](CO)NC1CCC(CC1)CO 4d39ba714eee713169bcd175f4d0778b [0,1,0,1,0,0|1,0,0]=3 843 B15R1.2624 CCC[C@H](CO)NC1CCC(CC1)CO de9ab8c7fff1174b7d181a6c8d9468b3 [0,1,0,1,0,0|1,0,0]=3 844 B15R1.2624 CC[C@@H](CC#N)NC1CCC(CC1)CO fa142f134019cf4b0d4839db18aea14b [0,1,0,1,0,0|2,0,0]=4 845 B15R1.2624 CC[C@H](CC#N)NC1CCC(CC1)CO 61f9a8754256db9005f2ac1eefafa510 [0,1,0,1,0,0|2,0,0]=4 846 B15R1.2624 COCC(CO)NC1CCC(CC1)CO e52bce45d8774d58431284aeea8a6af5 [0,1,0,1,0,0|1,0,0]=3 847 B15R1.2624 CSCC(CO)NC1CCC(CC1)CO ee34f03b63594e5d5fc6b7720b35712a [0,1,0,1,0,0|1,0,0]=3 848 B15R1.2624 OCCC(CO)NC1CCC(CC1)CO 0da50db8648777b92808bf7144a58d72 [0,1,0,1,0,0|1,0,0]=3 849 B15R1.2624 OCC[C@H](CO)NC1CCC(CC1)CO c66cd31016376804116eb6e55e682b4f [0,1,0,1,0,0|1,0,0]=3 850 B15R1.2624 OCC[C@H](CO)N[C@H]1CC[C@@H](CC1)CO 88adedb761dbb540874d8cabbc2a716d [0,1,0,1,0,0|1,0,0]=3 851 B15R1.2624 OCC[C@H](CO)N[C@H]1CC[C@H](CC1)CO 21ccaf8faa647ec413336828c0614bcb [0,1,0,1,0,0|1,0,0]=3 852 B15R1.6105 CCC1(CC1CN[C@@H](CO)CCO)CC 5a5265b8002c0b17467f313d2afb1250 [0,1,0,1,0,0|2,0,0]=4 853 B15R1.6289 CCC1(CCCN1[C@@H](CO)CCO)CO c4016bd632b685ed93dc2736bd090e1b [0,1,0,1,0,0|1,0,0]=3 854 B15R1.6289 CCCC(CC)N1CCCC1(CC)CO 80f21f79f527283fb29d16e5843b1ecc [0,1,0,1,0,0|2,0,0]=4 855 B15R1.7656 CCC(CO)N1CCCN(CC1)CCO 6abd3c476d6a3cc0dc52f79a2ddcc93f [0,1,0,1,0,0|2,0,0]=4 856 B15R1.24458 CCC1CCCN(CC1)[C@@H](CO)CCO 6af8b11e032a208f1fb79b468a7a103b [0,1,0,1,0,0|2,0,0]=4 857 B15R1.466 CCC(CO)NCC(=O)NC1CCCC1 f5c444f015e24783c18fb8c3e030fb35 [0,1,0,1,0,0|1,0,1]=4 858 B15R1.466 CC[C@@H](CO)NCC(=O)NC1CCCC1 520c834da182799480a92bf1bae5d5f9 [0,1,0,1,0,0|1,0,1]=4 859 B15R1.466 CC[C@H](CO)NCC(=O)NC1CCCC1 a36d25dd0559ca6e089ad45b6f6aee51 [0,1,0,1,0,0|1,0,1]=4 860 B15R1.5726 CCC(CO)NC(=O)CCC1CCOC1 d9fa0ae61ba0897b472bdb8e3b22f08d [0,1,0,1,0,0|1,0,1]=4 861 B15R1.5726 CC[C@@H](CO)NC(=O)CCC1CCOC1 4b6467745b7f482779c88c78062b61d9 [0,1,0,1,0,0|1,0,1]=4 862 B15R1.5726 CC[C@H](CO)NC(=O)CCC1CCOC1 c429d17692411b1e5ff2f2ee239228e0 [0,1,0,1,0,0|1,0,1]=4 863 B15R1.74 CCC(C(=O)O)N1CCCC(C1C)CO d09f6700b7204aea08ffaf69da186b52 [0,1,0,1,0,0|1,0,1]=4 864 B15R1.74 CCC(C(=O)O)N1CCC[C@@H]([C@@H]1C)CO 6d17dd2c54ee2d4d092585f1c2932147 [0,1,0,1,0,0|1,0,1]=4 865 B15R1.74 CCC(C(=O)O)N1CCC[C@@H]([C@H]1C)CO 3b6089cdfc16fa83db3f5fc701d551bd [0,1,0,1,0,0|1,0,1]=4 866 B15R1.74 CCC(C(=O)O)N1CCC[C@H]([C@H]1C)CO 4b664014a4730275946446610908d7e0 [0,1,0,1,0,0|1,0,1]=4 867 B15R1.74 CC[C@@H](C(=O)O)N1CCCC(C1C)CO e048015250461ec97ee4c939c9a08d86 [0,1,0,1,0,0|1,0,1]=4 868 B15R1.74 CC[C@@H](C(=O)O)N1CCC[C@@H]([C@@H]1C)CO 3d0920398cf915e291b74a8f52c8e375 [0,1,0,1,0,0|1,0,1]=4 869 B15R1.74 CC[C@@H](C(=O)O)N1CCC[C@@H]([C@H]1C)CO 709b52ab6d983edee8275d46c885d11d [0,1,0,1,0,0|1,0,1]=4 870 B15R1.74 CC[C@@H](C(=O)O)N1CCC[C@H]([C@H]1C)CO bf8464f36420c2d1f4be2d249ac5fb31 [0,1,0,1,0,0|1,0,1]=4 871 B15R1.74 CC[C@H](C(=O)O)N1CCCC(C1C)CO c736e33db1a0208476d07688674dd98f [0,1,0,1,0,0|1,0,1]=4 872 B15R1.74 CC[C@H](C(=O)O)N1CCC[C@@H]([C@@H]1C)CO ec358f42299af86b83a0c0154c338e57 [0,1,0,1,0,0|1,0,1]=4 873 B15R1.74 CC[C@H](C(=O)O)N1CCC[C@@H]([C@H]1C)CO 6a9cbc215f600e3da69234def552694c [0,1,0,1,0,0|1,0,1]=4 874 B15R1.74 CC[C@H](C(=O)O)N1CCC[C@H]([C@H]1C)CO 321f50930ceab47b6d93b947423a4b45 [0,1,0,1,0,0|1,0,1]=4 875 B15R1.208 CC(C)C(CO)NC1CCC(CC1)CO 0eabb649e655fba263f5605330e886d9 [0,1,0,1,0,0|1,0,0]=3 876 B15R1.208 CC(C)[C@@H](CO)NC1CCC(CC1)CO 15936df739649af9e2a80cab7163e8ee [0,1,0,1,0,0|1,0,0]=3 877 B15R1.208 CC(C)[C@H](CO)NC1CCC(CC1)CO cea058adf9c69047c5025ec5a254ff64 [0,1,0,1,0,0|1,0,0]=3 878 B15R1.208 CC(O)C(CO)NC1CCC(CC1)CO 80588576b87c2bebdcc547a9aa98493b [0,1,0,1,0,0|1,0,0]=3 879 B15R1.208 CCC(NC1CCC(CC1)CO)C(=O)O 7327d846af7e41ba12af270d08a37e41 [0,1,0,1,0,0|1,0,1]=4 880 B15R1.208 CCC(NC1CCC(CC1)CO)C(C)C 2a5dc3d4287a623ca38ac24bb1e948bb [0,1,0,1,0,0|2,0,0]=4 881 B15R1.208 CCC(N[C@H]1CC[C@@H](CC1)CO)C(=O)O 07a602f9b9744f8e60d172ed9daca962 [0,1,0,1,0,0|1,0,1]=4 882 B15R1.208 CCC(N[C@H]1CC[C@H](CC1)CO)C(=O)O d3f52930bc3995e751d2b117bc465d96 [0,1,0,1,0,0|1,0,1]=4 883 B15R1.208 CC[C@@H](NC1CCC(CC1)CO)C(=O)O 4782baa6b3e8600ad5f9396b06eba444 [0,1,0,1,0,0|1,0,1]=4 884 B15R1.208 CC[C@@H](NC1CCC(CC1)CO)[C@@H](C)O c40d1a499507835ba420f9546485eefb [0,1,0,1,0,0|1,0,0]=3 885 B15R1.208 CC[C@@H](NC1CCC(CC1)CO)[C@H](C)O aa08eb936539bcde56e63106143555b6 [0,1,0,1,0,0|1,0,0]=3 886 B15R1.208 CC[C@@H](N[C@H]1CC[C@@H](CC1)CO)C(=O)O 3899af6d60928d6e3bc5de03055a8e43 [0,1,0,1,0,0|1,0,1]=4 887 B15R1.208 CC[C@@H](N[C@H]1CC[C@H](CC1)CO)C(=O)O 4c756ec0e7772b7e741f081dc4c3ebda [0,1,0,1,0,0|1,0,1]=4 888 B15R1.208 CC[C@H](NC1CCC(CC1)CO)C(=O)O c9d1c1021305f42870d74915bd768b68 [0,1,0,1,0,0|1,0,1]=4 889 B15R1.208 CC[C@H](NC1CCC(CC1)CO)[C@@H](C)O 2210d3074155a9cc1748cb97d9934277 [0,1,0,1,0,0|1,0,0]=3 890 B15R1.208 CC[C@H](N[C@H]1CC[C@@H](CC1)CO)C(=O)O 5beddbf75789032be900becce04a1832 [0,1,0,1,0,0|1,0,1]=4 891 B15R1.208 CC[C@H](N[C@H]1CC[C@H](CC1)CO)C(=O)O f383beb00e47486b06bcda6132e7ddd8 [0,1,0,1,0,0|1,0,1]=4 892 B15R1.208 C[C@@H](O)[C@@H](CO)NC1CCC(CC1)CO 41b40488c0c7abb563f1a12751baf1af [0,1,0,1,0,0|1,0,0]=3 893 B15R1.208 C[C@@H](O)[C@H](CO)NC1CCC(CC1)CO bcaac74fad82b305371979957dc7b6f8 [0,1,0,1,0,0|1,0,0]=3 894 B15R1.208 C[C@H](O)[C@@H](CO)NC1CCC(CC1)CO 81bf3cc1e8a9fa776734bda4e8ed8c1a [0,1,0,1,0,0|1,0,0]=3 895 B15R1.208 C[C@H](O)[C@H](CO)NC1CCC(CC1)CO 9953f1213648f07d6e55b315b12489fc [0,1,0,1,0,0|1,0,0]=3 896 B15R1.470 CCC(CO)N1CCCC([C@@H]1C)C(=O)O 2c81ba89656767daa3e78d96825c7793 [0,1,0,1,0,0|1,0,1]=4 897 B15R1.470 CCC(CO)N1CCCC([C@H]1C)C(=O)O effe1f6015a41c5e000ff5e127642572 [0,1,0,1,0,0|1,0,1]=4 898 B15R1.470 CCC(CO)N1CCC[C@@H]([C@H]1C)C(=O)O 570c52fdcaf9355056141b3f455795b3 [0,1,0,1,0,0|1,0,1]=4 899 B15R1.470 CCC(CO)N1CCC[C@H]([C@@H]1C)C(=O)O 3575fb1f00ffc956512b740fbae6fde6 [0,1,0,1,0,0|1,0,1]=4 900 B15R1.3056 CC(C)C(CO)NCCCC1CCCC1 404e4c0b3304ebd9f3fd9fd5b1218c84 [0,1,0,1,0,0|2,0,0]=4 901 B15R1.3056 CC(C)C(CO)NCCOC1CCOC1 a0e953a9a9b514c9f9f0c8e78d9affda [0,1,0,1,0,0|1,0,0]=3 902 B15R1.3056 CC(C)[C@@H](CO)NCCCC1CCCC1 355e96ad7d3077f7043fc6e0c605001f [0,1,0,1,0,0|2,0,0]=4 903 B15R1.3056 CC(C)[C@@H](CO)NCCOC1CCOC1 19a4fd25651f4b86a7dbc7e218ee7f80 [0,1,0,1,0,0|1,0,0]=3 904 B15R1.3056 CC(C)[C@H](CO)NCCCC1CCCC1 4c21135fe4b394c0f9fc0209a443275a [0,1,0,1,0,0|2,0,0]=4 905 B15R1.3056 CC(C)[C@H](CO)NCCOC1CCOC1 f598759179f082f29682ee6a1935a072 [0,1,0,1,0,0|1,0,0]=3 906 B15R1.3056 CC(O)C(CO)NCCCC1CCCC1 99bafe3df23bb1e5f32d1be7503d8803 [0,1,0,1,0,0|2,0,0]=4 907 B15R1.3056 CC(O)C(CO)NCCOC1CCOC1 5ddb4539db4a2fbc2c60d69ce150e1f7 [0,1,0,1,0,0|1,0,0]=3 908 B15R1.3056 CCC(NCCCC1CCOC1)C(=O)O 626e5e8eed2adf4b71e15974d65babe8 [0,1,0,1,0,0|1,0,1]=4 909 B15R1.3056 CCC(NCCOC1CCOC1)C(=O)O cdbeeac7fff73719da1986aa13c9375e [0,1,0,1,0,0|1,0,1]=4 910 B15R1.3056 CCC(NCCOC1CCOC1)C(C)C 75b3d0462240b10eaba990ea7e2d2865 [0,1,0,1,0,0|2,0,0]=4 911 B15R1.3056 CC[C@@H](NCCCC1CCCC1)[C@@H](C)O 1925cc76d1726d83b76c3200d6243b91 [0,1,0,1,0,0|2,0,0]=4 912 B15R1.3056 CC[C@@H](NCCCC1CCCC1)[C@H](C)O 677def6cdc08339ae54bc3e585f73b03 [0,1,0,1,0,0|2,0,0]=4 913 B15R1.3056 CC[C@@H](NCCCC1CCOC1)C(=O)O ff421246f94fcc0422a464724be4da03 [0,1,0,1,0,0|1,0,1]=4 914 B15R1.3056 CC[C@@H](NCCOC1CCOC1)C(=O)O 280ced49987af0c9beaa64e4fd5f8e20 [0,1,0,1,0,0|1,0,1]=4 915 B15R1.3056 CC[C@@H](NCCOC1CCOC1)[C@@H](C)O 9b00396ec0e56d7ee6bf43da162536bc [0,1,0,1,0,0|1,0,0]=3 916 B15R1.3056 CC[C@@H](NCCOC1CCOC1)[C@H](C)O f410f0f7a60c6c08367ee7d5d1c9b2e5 [0,1,0,1,0,0|1,0,0]=3 917 B15R1.3056 CC[C@H](NCCCC1CCCC1)[C@@H](C)O 9330a65db697a3a4da2304336adb848f [0,1,0,1,0,0|2,0,0]=4 918 B15R1.3056 CC[C@H](NCCCC1CCOC1)C(=O)O cdae5fc5f8f90cf51dfc0c6cdf069eab [0,1,0,1,0,0|1,0,1]=4 919 B15R1.3056 CC[C@H](NCCOC1CCOC1)C(=O)O 1357756579cdd3dc084eff3e42873711 [0,1,0,1,0,0|1,0,1]=4 920 B15R1.3056 CC[C@H](NCCOC1CCOC1)[C@@H](C)O d02a1b296b185fe109852e1c3e6aaf55 [0,1,0,1,0,0|1,0,0]=3 921 B15R1.3056 C[C@@H](O)[C@@H](CO)NCCCC1CCCC1 91daa36f3636f0f9b31690b7078d05e9 [0,1,0,1,0,0|2,0,0]=4 922 B15R1.3056 C[C@@H](O)[C@@H](CO)NCCOC1CCOC1 49456220b5564a136a9c160aa8304bcf [0,1,0,1,0,0|1,0,0]=3 923 B15R1.3056 C[C@@H](O)[C@H](CO)NCCCC1CCCC1 0d7c80476a3c201b6486419b0d3f0c98 [0,1,0,1,0,0|2,0,0]=4 924 B15R1.3056 C[C@@H](O)[C@H](CO)NCCOC1CCOC1 76bd56670768f7e7544c427998a650f4 [0,1,0,1,0,0|1,0,0]=3 925 B15R1.3056 C[C@H](O)[C@@H](CO)NCCCC1CCCC1 134077b1a04c053622262d7125af266e [0,1,0,1,0,0|2,0,0]=4 926 B15R1.3056 C[C@H](O)[C@@H](CO)NCCOC1CCOC1 abd45446f7c4d646912bf5e7c62ba4e1 [0,1,0,1,0,0|1,0,0]=3 927 B15R1.3056 C[C@H](O)[C@H](CO)NCCCC1CCCC1 e1a6a079b472f8856e20a15a93deac08 [0,1,0,1,0,0|2,0,0]=4 928 B15R1.3056 C[C@H](O)[C@H](CO)NCCOC1CCOC1 182b3ec69c8a710c5fdea90e52688914 [0,1,0,1,0,0|1,0,0]=3 929 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[0,0,0,2,0,0|1,0,0]=3 970 B15R2.456 OCC1CCC(CC1)NC2(CC2)CO 1f0abe2ec18ae1060dcc027585c32016 [0,0,0,2,0,0|1,0,0]=3 971 B15R2.159552 CCC(CO)NC12CCC(CC1)CC2 9502cb57142b6933529081af8bd160f3 [0,0,0,2,0,0|2,0,0]=4 972 B15R2.170397 CCC(CO)NC1CCC2(CC1)CC2 76a2b7f265c59f9279c7fe5018f771e2 [0,0,0,2,0,0|2,0,0]=4 973 B15R2.170397 CCC(CO)NC1CCC2(CC2)OC1 70b3f2c5da6b03fe2485183e6a75890b [0,0,0,2,0,0|2,0,0]=4 974 B15R2.19 CC1C(CCCN1C2CCOC2)CO da4c28d655aed909bec544b469e4b826 [0,0,0,2,0,0|1,0,0]=3 975 B15R2.19 CC1C(CCCN1[C@@H]2CCOC2)CO d505ad8d25e186a6715a50662a0bfd74 [0,0,0,2,0,0|1,0,0]=3 976 B15R2.19 CC1C(CCCN1[C@H]2CCOC2)CO b1c931bff3ca55917c753707327b32b3 [0,0,0,2,0,0|1,0,0]=3 977 B15R2.19 C[C@@H]1[C@@H](CCCN1C2CCOC2)CO 0ca87a56e62f68e4f470a9f074ad68ce [0,0,0,2,0,0|1,0,0]=3 978 B15R2.19 C[C@@H]1[C@@H](CCCN1[C@@H]2CCOC2)CO e56d0724d7dccda1c6d0046d771f1ffb [0,0,0,2,0,0|1,0,0]=3 979 B15R2.19 C[C@@H]1[C@@H](CCCN1[C@H]2CCOC2)CO ac3931395a4650b0a61e52f01954d758 [0,0,0,2,0,0|1,0,0]=3 980 B15R2.19 C[C@@H]1[C@H](CCCN1C2CCOC2)CO b337c87acd919e33e3fbf96d4e5597da [0,0,0,2,0,0|1,0,0]=3 981 B15R2.19 C[C@@H]1[C@H](CCCN1[C@@H]2CCOC2)CO 8e2640cee31e845fccc91b442ac9b745 [0,0,0,2,0,0|1,0,0]=3 982 B15R2.19 C[C@@H]1[C@H](CCCN1[C@H]2CCOC2)CO bf4c56dc758953cc1e5f3966503bf115 [0,0,0,2,0,0|1,0,0]=3 983 B15R2.19 C[C@H]1[C@H](CCCN1C2CCOC2)CO fb32eaf38b1396c4c0b5cf622780fcfb [0,0,0,2,0,0|1,0,0]=3 984 B15R2.19 C[C@H]1[C@H](CCCN1[C@@H]2CCOC2)CO 0903f2b94ee905bbfa83475e0e08bd60 [0,0,0,2,0,0|1,0,0]=3 985 B15R2.19 C[C@H]1[C@H](CCCN1[C@H]2CCOC2)CO 51afe7c3c90c9abf42ebb346f5032bcd [0,0,0,2,0,0|1,0,0]=3 986 B15R2.58 CCC(CO)N1CCCC12CCCC2 5e44243f6c038ab2614a7a6fa88c52ac [0,0,0,2,0,0|2,0,0]=4 987 B15R2.1134 CC1OCC1NCCCC2CCCC2 8c54aa522ab2e12838bf7b2b4bf39c58 [0,0,0,2,0,0|2,0,0]=4 988 B15R2.1134 CC1OCC1NCCOC2CCOC2 f5bfe356f8120f314f8ad8ad61dd0410 [0,0,0,2,0,0|1,0,0]=3 989 B15R2.1134 CC1OCC1OCCOC2CCOC2 6e0596b12b46a176ddc8402202bd72cc [0,0,0,2,0,0|2,0,0]=4 990 B15R2.1134 C[C@@H]1CC[C@@H]1NCCOC2CCOC2 ca40a2c729291252214d7575de989bed [0,0,0,2,0,0|2,0,0]=4 991 B15R2.1134 C[C@@H]1CC[C@H]1NCCOC2CCOC2 841c1ec0ad362e6f5c2c7f27ed602014 [0,0,0,2,0,0|2,0,0]=4 992 B15R2.1134 FC1CCC1NCCOC2CCOC2 9ffe48d3df209637c876cdb37235fdfe [0,0,0,2,0,0|2,0,0]=4 993 B15R2.1134 OC1CCC1NCCCC2CCCC2 3893e6d60a7ae26bfa4ed026bb494388 [0,0,0,2,0,0|2,0,0]=4 994 B15R2.1134 OC1CCC1NCCOC2CCOC2 2bac60e3442263040223420d1d21fe7a [0,0,0,2,0,0|1,0,0]=3 995 B15R2.1134 O[C@@H]1CC[C@@H]1NCCCC2CCCC2 9356ed73ed5ef6d7e603ea1fad39782f [0,0,0,2,0,0|2,0,0]=4 996 B15R2.1134 O[C@@H]1CC[C@@H]1NCCOC2CCOC2 e90bf02b5fd08e2c27044c0023201371 [0,0,0,2,0,0|1,0,0]=3 997 B15R2.1134 O[C@@H]1CC[C@H]1NCCCC2CCCC2 8ef072e8d9c8532a2485e2319ee914b3 [0,0,0,2,0,0|2,0,0]=4 998 B15R2.1134 O[C@@H]1CC[C@H]1NCCOC2CCOC2 d3ea67cdfb44131814dfe89bf297f932 [0,0,0,2,0,0|1,0,0]=3 999 B15R2.1134 O[C@H]1CC[C@@H]1NCCCC2CCCC2 16a505de313f8486af7eafa14daff8d3 [0,0,0,2,0,0|2,0,0]=4 1000 B15R2.1134 O[C@H]1CC[C@@H]1NCCOC2CCOC2 2577ad7c5367d54a8f3a2c9359262779 [0,0,0,2,0,0|1,0,0]=3 1001 B15R2.1134 O[C@H]1CC[C@H]1NCCCC2CCCC2 9d95276c7c4fca257b4167a6d4cbd532 [0,0,0,2,0,0|2,0,0]=4 1002 B15R2.1134 O[C@H]1CC[C@H]1NCCOC2CCOC2 50939d997e69779e8d857193bca8c543 [0,0,0,2,0,0|1,0,0]=3 1003 B15R2.1193 CCC(CO)NC1CCC12CCCC2 ada1ef77336bf6621c6f9faa495b1902 [0,0,0,2,0,0|2,0,0]=4 1004 B15R2.2075 CCC1CCN1CCOC2CCOC2 68605e964848078366cf5e384cee985b [0,0,0,2,0,0|2,0,0]=4 1005 B15R2.2075 OCC1CCN1CCCC2CCCC2 96925c523c3975add14f18e1b4430c0a [0,0,0,2,0,0|2,0,0]=4 1006 B15R2.2075 OCC1CCN1CCOC2CCOC2 306b73723345ae3df7d472d7c5d88ba7 [0,0,0,2,0,0|1,0,0]=3 1007 B15R2.2075 OC[C@@H]1CCN1CCCC2CCCC2 c9e38ed214bd631096cf7de38ec87c0b [0,0,0,2,0,0|2,0,0]=4 1008 B15R2.2075 OC[C@@H]1CCN1CCOC2CCOC2 0ee1accbc9e552fdd3b80a0760f7aa55 [0,0,0,2,0,0|1,0,0]=3 1009 B15R2.2075 OC[C@H]1CCN1CCCC2CCCC2 70720e5cf78bf58312221d5f5161fbd9 [0,0,0,2,0,0|2,0,0]=4 1010 B15R2.2075 OC[C@H]1CCN1CCOC2CCOC2 8084ae270fd0cba2e1f5b91b86b80ef5 [0,0,0,2,0,0|1,0,0]=3 1011 B15R2.2194 C(CNC1CCCC1)CC2CCOC2 269ec726d3e2d4a3dab7cfa5e025bbe0 [0,0,0,2,0,0|2,0,0]=4 1012 B15R2.2194 C(CNC1CCOC1)CC2CCOC2 a05ab3543dfd87578db1febced2b8051 [0,0,0,2,0,0|1,0,0]=3 1013 B15R2.2194 C(CN[C@@H]1CCOC1)CC2CCOC2 7cca458b8ae50ad89a98d84e40874288 [0,0,0,2,0,0|1,0,0]=3 1014 B15R2.2194 C(CN[C@H]1CCOC1)CC2CCOC2 e68037c3f112e02306789d3968867d97 [0,0,0,2,0,0|1,0,0]=3 1015 B15R2.2194 C(COC1CCOC1)NC2CCOC2 1de32b60b81aef15cdf6071b3e4c0bb9 [0,0,0,2,0,0|1,0,0]=3 1016 B15R2.2194 C(COC1CCOC1)NC2CCSC2 b6fd7ec46592413a9f28dc8db6256ae1 [0,0,0,2,0,0|1,1,0]=4 1017 B15R2.2194 C(COC1CCOC1)N[C@@H]2CCOC2 2e17767f067c5d4c0f1cf3e9122717a3 [0,0,0,2,0,0|1,0,0]=3 1018 B15R2.2194 C(COC1CCOC1)N[C@H]2CCOC2 5dacae52bf3d887b2f2717a582ee8a3e [0,0,0,2,0,0|1,0,0]=3 1019 B15R2.2194 C1CC(CO1)OCCOC2CCOC2 b42e9550587559b00bf46d1e63fca38a [0,0,0,2,0,0|2,0,0]=4 1020 B15R2.2194 C1CC(CO1)OCCO[C@@H]2CCOC2 138a9030daeb1ab823498f9d36e4f6a3 [0,0,0,2,0,0|2,0,0]=4 1021 B15R2.2194 C1CC(CO1)OCCO[C@H]2CCOC2 ec40323f498b274cfb2cc2382347aa1f [0,0,0,2,0,0|2,0,0]=4 1022 B15R2.2194 C1CCC(C1)CCCNC2CCOC2 68217abbc6c3182f17561a6a8c403142 [0,0,0,2,0,0|2,0,0]=4 1023 B15R2.2194 C1CCC(C1)CCCN[C@@H]2CCOC2 4a09284c1c6e07c6651f4a842e815639 [0,0,0,2,0,0|2,0,0]=4 1024 B15R2.2194 C1CCC(C1)CCCN[C@H]2CCOC2 f735ce2d941975174ef3f8eb9c067022 [0,0,0,2,0,0|2,0,0]=4 1025 B15R2.2194 C1CCC(C1)NCCOC2CCOC2 f8265188e8c0c0bfd80f266c79a08a05 [0,0,0,2,0,0|2,0,0]=4 1026 B15R2.2194 C1CCC(C1)OCCNC2CCOC2 c15bc50a41c1586f920427376cbf9ee0 [0,0,0,2,0,0|2,0,0]=4 1027 B15R2.2194 C1CCC(C1)OCCN[C@@H]2CCOC2 7e950db1a700e387f8d3cf2fd8303b63 [0,0,0,2,0,0|2,0,0]=4 1028 B15R2.2194 C1CCC(C1)OCCN[C@H]2CCOC2 313e050c2422a0920c8da8010ab6547e [0,0,0,2,0,0|2,0,0]=4 1029 B15R2.2194 C1CCC(C1)SCCNC2CCOC2 ed920992b2210e4802d43ff35d13e10f [0,0,0,2,0,0|2,0,0]=4 1030 B15R2.2194 C1CCC(C1)SCCN[C@@H]2CCOC2 5307df91279cbbe7e2a7e35826b0fe0f [0,0,0,2,0,0|2,0,0]=4 1031 B15R2.2194 C1CCC(C1)SCCN[C@H]2CCOC2 7e756a9cd750ed3516827224ab9ebde8 [0,0,0,2,0,0|2,0,0]=4 1032 B15R2.4119 CCC1CCCN(CC1)C2CCOC2 9a6cd4b8bcae36bfde33c8af0482cc7f [0,0,0,2,0,0|2,0,0]=4 1033 B15R2.4119 CCC1CCCN(CC1)[C@@H]2CCOC2 ccde607d1b7d2d7e3c1e54e8199a81a5 [0,0,0,2,0,0|2,0,0]=4 1034 B15R2.4119 CCC1CCCN(CC1)[C@H]2CCOC2 fbc136b0739e10d099758b1f981b36f6 [0,0,0,2,0,0|2,0,0]=4 1035 B15R2.5090 OCC1(CC1)NCCCC2CCCC2 795ab8f06df63996e2fc7e96c209b301 [0,0,0,2,0,0|2,0,0]=4 1036 B15R2.5090 OCC1(CC1)NCCOC2CCOC2 8386a889ed7cff449336c1dd833d2c4f [0,0,0,2,0,0|1,0,0]=3 1037 B15R2.15922 CCC(CO)NCC1CC2CCC1C2 ab463de6d1a4d173997b806530655ed1 [0,0,0,2,0,0|2,0,0]=4 1038 B15R2.15922 CC[C@@H](CO)NCC1CC2CCC1C2 991a87d5cf295f93e869b40dd9d1677f [0,0,0,2,0,0|2,0,0]=4 1039 B15R2.15922 CC[C@H](CO)NCC1CC2CCC1C2 cb165e495469b452275b52fdac37bf65 [0,0,0,2,0,0|2,0,0]=4 1040 B15R2.15972 CCC(CO)N1CCCC2C1CCC2 0bb99f0cedb63fe7ddd76bceb0d74b4b [0,0,0,2,0,0|2,0,0]=4 1041 B15R2.15972 CCC(CO)N1CCO[C@H]2[C@H]1CCC2 30dfb3fdf92b5dd64fbf9f1880a2091e [0,0,0,2,0,0|2,0,0]=4 1042 B15R2.16083 CCC(CC)NC1CCC2C1COC2 1d6bc5bc76e64108dea29cb4b3fcdde9 [0,0,0,2,0,0|2,0,0]=4 1043 B15R2.16083 CCC(CO)NC1CCC2C1COC2 76616a6eac84d23590960bdc9a6c185f [0,0,0,2,0,0|1,0,0]=3 1044 B15R2.16083 CCC(CO)N[C@@H]1CC[C@@H]2[C@H]1CCC2 522ada25e0536d8cf3eb73b1f10df0b5 [0,0,0,2,0,0|2,0,0]=4 1045 B15R2.16083 CCC(CO)N[C@H]1CC[C@H]2[C@@H]1CCC2 6a7758fd8aa0682dc9b05e93a4900b6e [0,0,0,2,0,0|2,0,0]=4 1046 B15R2.16083 OCC(CO)NC1CCC2C1COC2 b574cf684b601ceaab17d2670996ae77 [0,0,0,2,0,0|2,0,0]=4 1047 B15R2.26572 CCC1(CC1CNC2CCOC2)CC 43176463138143f9e8f02a529275fe08 [0,0,0,2,0,0|2,0,0]=4 1048 B15R2.26572 CCC1(CC1CN[C@@H]2CCOC2)CC 9f84c70c5b669b12292b3c3252fb9078 [0,0,0,2,0,0|2,0,0]=4 1049 B15R2.26572 CCC1(CC1CN[C@H]2CCOC2)CC 3c2a2a1bf65104e27ca00dda5294f6fb [0,0,0,2,0,0|2,0,0]=4 1050 B15R2.66667 CCC(CO)NCC12CCC(O1)CC2 af19f2992df0e6f9a22ed11ee298df5c [0,0,0,2,0,0|2,0,0]=4 1051 B15R2.66667 CC[C@@H](CO)NCC12CCC(O1)CC2 dcd67a674f5ef26e43dc7341825a0a3d [0,0,0,2,0,0|2,0,0]=4 1052 B15R2.66667 CC[C@H](CO)NCC12CCC(O1)CC2 7dfd7f8c6022794c2d106105229b835b [0,0,0,2,0,0|2,0,0]=4 1053 B15R2.66718 CCC(CC)NCC1CC2(CC2)CO1 48c92da38e4120697cc9a62bad387d39 [0,0,0,2,0,0|2,0,0]=4 1054 B15R2.66718 CCC(CO)NCC1CC2(CC2)CO1 6bcd314cc9516d65ab88795ad4d263a9 [0,0,0,2,0,0|1,0,0]=3 1055 B15R2.66718 CC[C@@H](CO)NCC1CC2(CC2)CO1 4000c6f1d80917ef1b8184bb16408eee [0,0,0,2,0,0|1,0,0]=3 1056 B15R2.66718 CC[C@H](CO)NCC1CC2(CC2)CO1 7f9060c3f3e1a4e0c1faf8d35fd4a27c [0,0,0,2,0,0|1,0,0]=3 1057 B15R2.66718 OCC(CO)NCC1CC2(CC2)CO1 5384c788fb6ffa8d27b531c540abea68 [0,0,0,2,0,0|2,0,0]=4 1058 B11R0.200 C=C[C@@H](CO)NCCC(C)CC d424a15d885a162536b10c168062d476 [1,0,0,0,1,0|0,0,2]=4 1059 B11R0.200 C=C[C@@H](CO)NCCC(C)CO 0425df06d46010c02b345331e3a2f27e [1,0,0,0,1,0|0,0,2]=4 1060 B11R0.200 CC(CO)CCNC(CO)CO 587d1633b345575f088310d54804062c [1,0,0,0,1,0|1,0,0]=3 1061 B11R0.200 CC(CO)NCCC(CO)CO 95f61c22536cd341406d6621570e62d3 [1,0,0,0,1,0|1,0,0]=3 1062 B11R0.200 CCC(C)CCNC(C=O)CC d66374ad66929a3b48c13bdbe33ba735 [1,0,0,0,1,0|0,0,2]=4 1063 B11R0.200 CCC(C)CCNC(CC)CC 4093e95f2a22d29ff44cdd939465910e [1,0,0,0,1,0|1,0,0]=3 1064 B11R0.200 CCC(C)CCNC(CC)CO 88bc765029d3d3007a0cd01a08aa3566 [1,0,0,0,1,0|0,0,0]=2 1065 B11R0.200 CCC(C)CCNC(CO)CO 6202c4db333e0e1fc82291802b18e0ab [1,0,0,0,1,0|1,0,0]=3 1066 B11R0.200 CCC(C)CCN[C@@H](CC)CO 800ee208997df3f5181813d8a68f7991 [1,0,0,0,1,0|0,0,0]=2 1067 B11R0.200 CCC(C)CCN[C@H](CC)CO 73e82a70bd92bdcfdeb0656368f28294 [1,0,0,0,1,0|0,0,0]=2 1068 B11R0.200 CCC(C)CCOC(CC)CC 7a8d213d9ca967d14930377b5ec2e42d [1,0,0,0,1,0|2,0,0]=4 1069 B11R0.200 CCC(C)CCOC(CO)CO 9edf33ca9b2d5610bb0aa82646166285 [1,0,0,0,1,0|2,0,0]=4 1070 B11R0.200 CCC(C)CNCC(CC)CO eefcc66d5187cef5d1598e526b9151df [1,0,0,0,1,0|2,0,0]=4 1071 B11R0.200 CCC(C)NCCC(CO)CO 71db8618b82f0805d14f9e0971a5a3df [1,0,0,0,1,0|1,0,0]=3 1072 B11R0.200 CCC(C)NCCN(CC)CC 84082d87868cb13856f57654f8556050 [1,0,0,0,1,0|2,0,0]=4 1073 B11R0.200 CCC(C=O)NCCC(C)CO e1fcac317226f63feb9a1e874570a1a9 [1,0,0,0,1,0|0,0,2]=4 1074 B11R0.200 CCC(C=O)NCC[C@@H](C)CO 8c092224a6767dc86668b39e4eadaf31 [1,0,0,0,1,0|0,0,2]=4 1075 B11R0.200 CCC(CC)CCNC(C)CC f0ef9979b02124169bdad5bca0fa8bf4 [1,0,0,0,1,0|1,0,0]=3 1076 B11R0.200 CCC(CC)CCNC(C)CO 2ea6930c71cc0e94ea0aa13baa426a54 [1,0,0,0,1,0|1,0,0]=3 1077 B11R0.200 CCC(CC)CCN[C@@H](C)CO 027755a70085be532cd0fb93316d65b5 [1,0,0,0,1,0|1,0,0]=3 1078 B11R0.200 CCC(CC)CCN[C@H](C)CO 2a9aba5e71c7a7cd6310d0dac55b4035 [1,0,0,0,1,0|1,0,0]=3 1079 B11R0.200 CCC(CC)NCCC(C)CO a4bf5c8dcbeee64590d6f090d5166d2b [1,0,0,0,1,0|1,0,0]=3 1080 B11R0.200 CCC(CC)NCCC(O)CO 5ce6ee353bbd41b018fad44617d667b0 [1,0,0,0,1,0|2,0,0]=4 1081 B11R0.200 CCC(CC)NCC[C@@H](C)CO 529f5eac4d4d1be200185ee49a66a1f2 [1,0,0,0,1,0|1,0,0]=3 1082 B11R0.200 CCC(CC)OCC[C@@H](C)CC c221c5e2d8a48bf414a7200fab80ff66 [1,0,0,0,1,0|2,0,0]=4 1083 B11R0.200 CCC(CO)CNCC(C)CO c8fc54f1660c0e6703fa87b702ac56bf [1,0,0,0,1,0|2,0,0]=4 1084 B11R0.200 CCC(CO)CNC[C@@H](C)CC 03b3ef4b9a75c7db36087726b5c36924 [1,0,0,0,1,0|2,0,0]=4 1085 B11R0.200 CCC(CO)CNC[C@@H](C)CO 104bfb53e06cecd28ade97411077320e [1,0,0,0,1,0|2,0,0]=4 1086 B11R0.200 CCC(CO)CNC[C@H](C)CC 25f29f95c4774577d95ee05477406d4a [1,0,0,0,1,0|2,0,0]=4 1087 B11R0.200 CCC(CO)CNC[C@H](C)CO 7eb4f76eff6c1abb847097de4f00b355 [1,0,0,0,1,0|2,0,0]=4 1088 B11R0.200 CCC(CO)CNC[C@H](O)CC 6266fda303acdd9607dfdf664cf60975 [1,0,0,0,1,0|2,0,0]=4 1089 B11R0.200 CCC(CO)NCCC(C)CO 1b1baa0e517b7e5a1ac591288948b60c [1,0,0,0,1,0|0,0,0]=2 1090 B11R0.200 CCC(CO)NCCC(O)CO bbba1f0e072db615eca196271479b955 [1,0,0,0,1,0|1,0,0]=3 1091 B11R0.200 CCC(CO)NCCS(=O)CC fb902b899aec3a7d48aa49ce899b7f0c [1,0,0,0,1,0|1,0,1]=4 1092 B11R0.200 CCC(CO)NCC[C@@H](C)CO 57c6ee5420923fe60e42b553002e344f [1,0,0,0,1,0|0,0,0]=2 1093 B11R0.200 CCC(O)CNCC(CC)CO 5c1b19f313ed32479bb27a55f39a376c [1,0,0,0,1,0|2,0,0]=4 1094 B11R0.200 CCN(CC)CCNC(C)CO 46a50347bb64384f51e3c647fcd56947 [1,0,0,0,1,0|2,0,0]=4 1095 B11R0.200 CCN(CC)CCN[C@@H](C)CO a534ec5d78b111582b9435e4ad748940 [1,0,0,0,1,0|2,0,0]=4 1096 B11R0.200 CCN(CC)CCN[C@H](C)CO 708d3c8afd265b647d897bb149ef6cfe [1,0,0,0,1,0|2,0,0]=4 1097 B11R0.200 CC[C@@H](CO)NCCC(C)CO dbd0f6d94bcb2cf61cbad6e50d91af8e [1,0,0,0,1,0|0,0,0]=2 1098 B11R0.200 CC[C@@H](CO)NCCS(=O)CC c4f88e69516f4639a5353c29c2bd01d6 [1,0,0,0,1,0|1,0,1]=4 1099 B11R0.200 CC[C@H](C)CCOC(CO)CO 52a08d11c62a99bfe696bc96b9d1d9bd [1,0,0,0,1,0|2,0,0]=4 1100 B11R0.200 CC[C@H](CO)NCCC(C)CO 42ae018c97d8914887ec8e98f345ed5d [1,0,0,0,1,0|0,0,0]=2 1101 B11R0.200 CC[C@H](CO)NCCS(=O)CC 656e0e0710678ab6861f787fb6056cf0 [1,0,0,0,1,0|1,0,1]=4 1102 B11R0.200 C[C@@H](CO)CCNC(CO)CO 245472ca7e6c76e47aafa2bf73541915 [1,0,0,0,1,0|1,0,0]=3 1103 B11R0.200 C[C@@H](CO)NCCC(CO)CO 08249dc94c473eeacf2132a807af4e9e [1,0,0,0,1,0|1,0,0]=3 1104 B11R0.200 C[C@H](CO)NCCC(CO)CO 9cd8c07c6b339f88fb2f701c964fa291 [1,0,0,0,1,0|1,0,0]=3 1105 B11R0.200 OCC(O)CCNC(CO)CO 2c5449f840cfee010ce206533719bbbd [1,0,0,0,1,0|2,0,0]=4 1106 B11R0.314 C=C[C@@H](CO)NCC(CC)CO da13550a2c56bcfe38438f3f481eb7c5 [0,0,0,0,2,0|0,0,2]=4 1107 B11R0.314 CCC(CC)CNC(CC)CC c6e6670a708c3263023e0dd1384d7948 [0,0,0,0,2,0|2,0,0]=4 1108 B11R0.314 CCC(CC)CNC(CC)CO 901e7f378178e8f7fb9828e8c3d30b10 [0,0,0,0,2,0|1,0,0]=3 1109 B11R0.314 CCC(CC)CNC(CO)CO 906eed2e763f2754a17c75055fd88461 [0,0,0,0,2,0|2,0,0]=4 1110 B11R0.314 CCC(CC)CN[C@@H](CC)CO df289cd6d4d35b69b4f6cf9b44810898 [0,0,0,0,2,0|1,0,0]=3 1111 B11R0.314 CCC(CC)CN[C@H](CC)CO dde5c4d4a41693d37d76aee9834763a5 [0,0,0,0,2,0|1,0,0]=3 1112 B11R0.314 CCC(CC)NC[C@H](CO)OC 4ee9de54c72d754b4f0b3be9a9aa5d5a [0,0,0,0,2,0|2,0,0]=4 1113 B11R0.314 CCC(CO)CNC(C=O)CC a63d9bdde07181057eb36a735640e373 [0,0,0,0,2,0|0,0,2]=4 1114 B11R0.314 CCC(CO)CNC(CC)CC 00d2a3d263465f3e99c33cc90c7de98c [0,0,0,0,2,0|1,0,0]=3 1115 B11R0.314 CCC(CO)CNC(CC)CO 385cce011e66e01db4caf2d587a4932c [0,0,0,0,2,0|0,0,0]=2 1116 B11R0.314 CCC(CO)CNC(CO)CO d16c92519a819e741eff7ff18b5b0710 [0,0,0,0,2,0|1,0,0]=3 1117 B11R0.314 CCC(CO)CN[C@@H](CC)CO aa73099a6ecc643af2df5a6a09af19c7 [0,0,0,0,2,0|0,0,0]=2 1118 B11R0.314 CCC(CO)CN[C@H](CC)CO b3fef2858ee88cde682dc3adcca868e9 [0,0,0,0,2,0|0,0,0]=2 1119 B11R0.314 CCC(CO)NC[C@H](CO)OC 7eef9e7d150519aa78d447e24ce3996a [0,0,0,0,2,0|1,0,0]=3 1120 B11R0.314 CO[C@@H](CO)CNC(CO)CO e0d4fb28d12dd2caeae34e14b5556457 [0,0,0,0,2,0|2,0,0]=4 1121 B13R0.163 CC(CO)NCCCCC(CO)CO 095d2442b221242b62d4f44014d393b5 [1,0,0,0,0,1|2,0,0]=4 1122 B13R0.163 CCC(=O)NCCNCC(CC)CO 2341926632c46bd6d43b1c08fe50a12d [1,0,0,0,0,1|0,0,2]=4 1123 B13R0.163 CCC(C)NCCCCC(CO)CO 357972d014d6c823803fcec0179944db [1,0,0,0,0,1|2,0,0]=4 1124 B13R0.163 CCC(CC)CNCCCC(C)CO 4f7514fbb821735b9f5e4b456eb9b100 [1,0,0,0,0,1|2,0,0]=4 1125 B13R0.163 CCC(CO)CNCCCC(C)CO a38c4039ee130101fadc5997b6763482 [1,0,0,0,0,1|1,0,0]=3 1126 B13R0.163 CCC(CO)CNCCCN(C)CC 0e7cd5baa8fc39945a06258996a489b3 [1,0,0,0,0,1|2,0,0]=4 1127 B13R0.163 C[C@@H](CO)NCCCCC(CO)CO 6520a4d4c7bc14cbe54aab29823c3189 [1,0,0,0,0,1|2,0,0]=4 1128 B13R0.163 C[C@H](CO)NCCCCC(CO)CO d3ff8471f36097fecdcd181432efba05 [1,0,0,0,0,1|2,0,0]=4 1129 B15R0.3939 CCC(CO)CNCCCCC(CO)CO 6c60c0f33ba9a28386dd21b5239d3b97 [0,0,0,0,0,2|2,0,0]=4