0 B19R0.149 CCCCC/C=C/COCCCCCCCCC(=O)O bfb392132f17d176b41c8c43e73a1cf0 [0,0,0,0,0,0|1,0,3]=4 1 B19R0.149 CCCCC/C=C\CCCOCCCCCCC(=O)O 6eeecb19ca040a4f144e2c8b981b9c75 [0,0,0,0,0,0|1,0,3]=4 2 B19R0.149 CCCCC/C=C\CCOCCCCCCCC(=O)O e216d90b837ecd3a4026341fe21d18fe [0,0,0,0,0,0|1,0,3]=4 3 B19R0.149 CCCCCC/C=C/C=C/COCCCCCC(=O)C 1f4e30b44a4dcb096cf9d66ec72ff429 [0,0,0,0,0,0|2,0,2]=4 4 B19R0.149 CCCCCC/C=C/C=C/COCCCCCC(=O)N 432e3bad65ae9482b65e8a28359e987e [0,0,0,0,0,0|2,0,2]=4 5 B19R0.149 CCCCCC/C=C/C=C/COCCCCCC(=O)O 8ce3c7d36990da5daaa9b4f3765990fb [0,0,0,0,0,0|1,0,2]=3 6 B19R0.149 CCCCCC/C=C/C=C/COCCCOCC(=O)O 9fb19582b46dc95169b35f825a911ef4 [0,0,0,0,0,0|2,0,2]=4 7 B19R0.149 CCCCCC/C=C/C=C/COCCOCCC(=O)O f9478185b8097ae783c7086c5693b524 [0,0,0,0,0,0|2,0,2]=4 8 B19R0.149 CCCCCC/C=C/COCCCCCCCC(=O)O f381bf515a5f611a471964681ae4f256 [0,0,0,0,0,0|1,0,3]=4 9 B19R0.149 CCCCCC/C=C\COCCCCCCCC(=O)O 02e8a60e3716de9e47fdfd7fb5e0a882 [0,0,0,0,0,0|1,0,3]=4 10 B19R0.149 CCCCCC=CCCCOCCCCCCC(=O)O de48c0d8fbe5a497daf6d38956c231d0 [0,0,0,0,0,0|1,0,3]=4 11 B19R0.149 CCCCCCC/C=C/C=C/COCCCCC(=O)C 2f6108b0a36f5e86d244f15bbfd85340 [0,0,0,0,0,0|2,0,2]=4 12 B19R0.149 CCCCCCC/C=C/C=C/COCCCCC(=O)N 09d7e74d0778716b22fa0e6b07d5c416 [0,0,0,0,0,0|2,0,2]=4 13 B19R0.149 CCCCCCC/C=C/C=C/COCCCCC(=O)O adc5a0dbe51cce0d305fb08b1e54c2b7 [0,0,0,0,0,0|1,0,2]=3 14 B19R0.149 CCCCCCC/C=C/C=C/COCCOCC(=O)O d85a983c25809091a2df0f985aec2053 [0,0,0,0,0,0|2,0,2]=4 15 B18R0.176 CCCC/C=C/C=C\CCCCOCCCC(=O)O 0c5d67a7d50459ab22df25dd936b4491 [1,0,0,0,0,0|1,0,2]=4 16 B18R0.176 CCCCC/C=C/COCCCCCCCC(=O)O 370db528e7baafee356eef2994dbf980 [1,0,0,0,0,0|1,0,2]=4 17 B18R0.176 CCCCC/C=C\CCOCCCCCCC(=O)O a64dc3d169aa3bff64c1aee04b31a1ae [1,0,0,0,0,0|1,0,2]=4 18 B18R0.176 CCCCCC/C=C/C=C/COCCCCC(=O)C b0029a70ea135341f768fe1b3f27850d [1,0,0,0,0,0|2,0,1]=4 19 B18R0.176 CCCCCC/C=C/C=C/COCCCCC(=O)N c352942b74ea0ba03632ba73e7a992ae [1,0,0,0,0,0|2,0,1]=4 20 B18R0.176 CCCCCC/C=C/C=C/COCCCCC(=O)O 53afda48063c66b3f6b2f8f04ea048f5 [1,0,0,0,0,0|1,0,1]=3 21 B18R0.176 CCCCCC/C=C/C=C/COCCOCC(=O)O dc3cf791191d5d128c77c4e69ef68a39 [1,0,0,0,0,0|2,0,1]=4 22 B18R0.176 CCCCCC/C=C/COCCCCCCC(=O)O 87dcbf90077f8a95eea44a743023adbe [1,0,0,0,0,0|1,0,2]=4 23 B18R0.176 CCCCCC/C=C\COCCCCCCC(=O)O 15900fe7264ea01159b245a23b2bfeaf [1,0,0,0,0,0|1,0,2]=4 24 B18R0.176 CCCCCCC/C=C/C=C/COCCCC(=O)O d1aca0eee2fed1b9a9a5bf38488714af [1,0,0,0,0,0|1,0,2]=4 25 B18R0.221 CCCCCC/C=C/C=C/COCCCCCC=O aa8190108beb0d8e983d083eb045c90f [1,0,0,0,0,0|1,0,2]=4 26 B18R0.221 CCCCCCC/C=C/C=C/COCCCCC=O c11deb6812b66a9fa530ad65990f3303 [1,0,0,0,0,0|1,0,2]=4 27 B20R0.2931 CCCCCCC/C=C/C=C/COCCC(C)CC(=O)O d7f0620f672995d7c48c9fab722543c7 [0,1,0,0,0,0|1,0,2]=4 28 B20R0.3034 CCCCCC/C=C/C=C/COCCCCCC(=O)OC f1332a7663b28f67008dfadf0967e9c0 [0,1,0,0,0,0|1,0,2]=4 29 B20R0.3034 CCCCCCC/C=C/C=C/COCCCCC(=O)OC eb20cf5fc0bc71dcad683e3afe11fd49 [0,1,0,0,0,0|1,0,2]=4 30 B20R0.3037 CCCCCCC/C=C/C=C/COCCCC(C)C(=O)O 41d6496ecb55cf18a8bd513639903e44 [0,1,0,0,0,0|1,0,2]=4 31 B20R0.31940 CCCCCC/C=C/C=C/COCCCCCCC(=O)O bf4e71c1e4328f956d46b85921c88688 [0,1,0,0,0,0|0,0,2]=3 32 B20R0.31940 CCCCCCC/C=C/C=C/COCCCCCC(=O)C 5847e3739e590e1770ff30ce5be45cae [0,1,0,0,0,0|1,0,2]=4 33 B20R0.31940 CCCCCCC/C=C/C=C/COCCCCCC(=O)N 71931dd9e7d8e2b2a8304e5c2c80e164 [0,1,0,0,0,0|1,0,2]=4 34 B20R0.31940 CCCCCCC/C=C/C=C/COCCCCCC(=O)O 1fb7a09ad6ae8600746a84c22b24d601 [0,1,0,0,0,0|0,0,2]=3 35 B20R0.31940 CCCCCCC/C=C/C=C/COCCCOCC(=O)O 1c71381914347bad1d28af2f80350fab [0,1,0,0,0,0|1,0,2]=4 36 B20R0.31940 CCCCCCC/C=C/C=C/COCCOCCC(=O)O 818ed213eacb96b1e42120e719b65ab9 [0,1,0,0,0,0|1,0,2]=4 37 B20R1.281 CCCCCSc1ccccc1NCCCCC(=O)O dd6fa4de0cc2aaff20ad10602fe48d61 [0,0,0,1,0,0|2,0,1]=4 38 B20R1.3309 CCCCCCC/C=C/C=C/COCC1CCC(=O)O1 d1f227e58652a7a69225d3cfee0114b7 [0,0,0,1,0,0|1,0,2]=4 39 B20R1.9671 CCCOc1ccccc1NCCCCCCC(=O)O f29df365c6e47b028c2475fd13a282e0 [0,0,0,1,0,0|2,0,1]=4 40 B20R1.9671 CCCSc1ccccc1NCCCCCCC(=O)O b364365b2be927bd6d5108eb30ca66fe [0,0,0,1,0,0|2,0,1]=4 41 B20R1.9671 CCOCc1ccccc1NCCCCCCC(=O)O f1449ea0cf5da8c6156c10300976b89b [0,0,0,1,0,0|2,0,1]=4 42 B20R1.9671 CCSCc1ccccc1NCCCCCCC(=O)O d0e847a4b3064dcb7ec8b3a0e94600a6 [0,0,0,1,0,0|2,0,1]=4 43 B20R1.9671 COCCc1ccccc1NCCCCCCC(=O)O f520789b2d420932e2aea28caac0ca46 [0,0,0,1,0,0|2,0,1]=4 44 B20R1.9671 O=C(O)CCCCCCNc1ccccc1CCCO a18fcaa297398c2ce81d0cde0d979c89 [0,0,0,1,0,0|2,0,1]=4 45 B20R1.32794 CCCCOc1ccccc1COCCCCC(=O)C c58f11293d4bfc3209f32d358cc67e0e [0,0,0,1,0,0|3,0,0]=4 46 B20R1.32794 CCCCOc1ccccc1COCCOCC(=O)O 686ffc031a5c8a273e67474fd09292a9 [0,0,0,1,0,0|3,0,0]=4 47 B20R1.32794 CCCCOc1ccccc1NCCCCCC(=O)C 31e2eeae91f8b837b58a7c94bd3edbd3 [0,0,0,1,0,0|3,0,0]=4 48 B20R1.32794 CCCCOc1ccccc1NCCCCCC(=O)N 0894ae2681757f91478726ec1b4ddadb [0,0,0,1,0,0|3,0,0]=4 49 B20R1.32794 CCCCOc1ccccc1NCCOCCC(=O)O 8fa9347ff7adc0e861e7c3beacc5730c [0,0,0,1,0,0|3,0,0]=4 50 B20R1.32794 CCCCOc1cccnc1NCCCCCC(=O)O c8ebe7a69e5d411a760da724407b1f8f [0,0,0,1,0,0|3,0,0]=4 51 B20R1.32794 CCCCOc1ncccc1NCCCCCC(=O)O d8d54976f9f5bd573fc0555b70376f51 [0,0,0,1,0,0|3,0,0]=4 52 B20R1.32794 CCCOCc1ccccc1CNCCCCC(=O)C 1bd8fb16d6d20dba87ed3403a22169c2 [0,0,0,1,0,0|3,0,0]=4 53 B20R1.32794 CCCOCc1ccccc1CNCCCCC(=O)N 68048a622405318d0a33a852401a42b5 [0,0,0,1,0,0|3,0,0]=4 54 B20R1.32794 CCCOCc1ccccc1CNCCOCC(=O)O 3a8b3d189d7f98cfd7f1ae4764193168 [0,0,0,1,0,0|3,0,0]=4 55 B20R1.32794 CCCSCc1ccccc1NCCCCCC(=O)N b85595b9efdfc6a36fadcec2266ba92f [0,0,0,1,0,0|3,0,0]=4 56 B20R1.32794 CCCSCc1ccccc1NCCCCCC(=O)O d70a5afa34246d85b972cfbdc6c97bfb [0,0,0,1,0,0|2,0,0]=3 57 B20R1.32794 CCCSCc1ccccc1NCCOCCC(=O)O d3f5471d81c7e3ac70694a47d99e9026 [0,0,0,1,0,0|3,0,0]=4 58 B20R1.32794 CCOCCc1ccccc1NCCCCCC(=O)N e07b01bb1436b84931647f59478310fd [0,0,0,1,0,0|3,0,0]=4 59 B20R1.32794 CCOCCc1ccccc1NCCCCCC(=O)O 7b4f7eb7dc36367e47af7ac5f96ebcaa [0,0,0,1,0,0|2,0,0]=3 60 B20R1.32794 CCOCCc1ccccc1NCCOCCC(=O)O b80b891c6416f5d92d98dc6aed769f3d [0,0,0,1,0,0|3,0,0]=4 61 B20R1.32794 COCCOc1ccccc1NCCCCCC(=O)O 8a9b56ac6f75c9d6bb610555826299b7 [0,0,0,1,0,0|3,0,0]=4 62 B20R1.32794 COCCSc1ccccc1NCCCCCC(=O)O 0d9e2e5eb56284fe0bc6ebb700fdfdca [0,0,0,1,0,0|3,0,0]=4 63 B20R1.32794 NC(=O)CCCCCNc1ccccc1CCCCO 0e8554afd4c79a87b3da6c2aac353ecd [0,0,0,1,0,0|3,0,0]=4 64 B20R1.32794 NCCNCc1ccccc1NCCCCCC(=O)O d0f57e7cd0db87bb6117df6ec1008038 [0,0,0,1,0,0|3,0,0]=4 65 B20R1.32794 O=C(O)CCCCCNc1ccccc1CCCCO f1b81d4617852892a44769d2e3ce6c65 [0,0,0,1,0,0|2,0,0]=3 66 B20R1.32794 O=C(O)CCCCCNc1ccccc1COCCO bf8893c7f06d0ea6ee1909baf0326510 [0,0,0,1,0,0|3,0,0]=4 67 B20R1.32794 O=C(O)CCCCCNc1ccccc1OCCCO cf93a0a768f4cf372de8c657ee757157 [0,0,0,1,0,0|3,0,0]=4 68 B20R1.32794 O=C(O)CCOCCNc1ccccc1CCCCO 43eb3fc006f6d1e10107930ac5a6a082 [0,0,0,1,0,0|3,0,0]=4 69 B20R1.58016 CCCCCCc1ccsc1NCCCCCC(=O)O 5aa1ef4af7b1b1f6aed188f00458fc6c [0,0,0,1,0,0|2,0,1]=4 70 B20R1.768542 CCCCCCC/C=C/C=C/COCC1CC1C(=O)O 4ad1d5135677ccb7efbfe4777b07d38d [0,0,0,1,0,0|1,0,2]=4 71 B20R1.768542 CCCCCCC/C=C/C=C/COC[C@@H]1C[C@H]1C(=O)O 13859fde218502debd873f35a5e00705 [0,0,0,1,0,0|1,0,2]=4 72 B17R0.43 CCC/C=C/C=C/COCCCCCCC(=O)O 0757b46c696532fa8e48fe56dc776e6e [2,0,0,0,0,0|1,0,1]=4 73 B17R0.43 CCCC/C=C/C=C\CCCCOCCC(=O)O 9ba36c15b03a9f58e8f8ea00beef9402 [2,0,0,0,0,0|1,0,1]=4 74 B17R0.43 CCCCC/C=C/COCCCCCCC(=O)O 59717f4f5c7a5969eacf51e7133f1d70 [2,0,0,0,0,0|1,0,1]=4 75 B17R0.43 CCCCCC/C=C/C=C/COCCCC(=O)O 2814072d4348e78cddc0a40381c6bdd1 [2,0,0,0,0,0|1,0,1]=4 76 B17R0.117 CCCCCC/C=C/C=C/COCCCCC=O 4406ecdd2b10e49845d2256ceefcfd8d [2,0,0,0,0,0|1,0,1]=4 77 B19R0.35 CCCCCC/C=C/C=C/COCCC(C)CC(=O)O 4c4b094d5cd0c6dff5c3b2812977fc4b [1,1,0,0,0,0|1,0,1]=4 78 B19R0.148 CCCCCC/C=C/C=C/COCCCCC(=O)OC f950ec83fbaf757ad7180e1c76f45b88 [1,1,0,0,0,0|1,0,1]=4 79 B19R0.153 CCCCCC/C=C/C=C/COCCCC(C)C(=O)O a77b86a2c5cc1d06fe636175820319bf [1,1,0,0,0,0|1,0,1]=4 80 B19R0.36 CCCCCC/C=C/C=C/COCCCCCCC=O 2db1600e71676b504ea1588ebf2e72dd [1,1,0,0,0,0|0,0,2]=4 81 B19R0.36 CCCCCCC/C=C/C=C/COCCCCCC=O eb02e8d300cac1b005244a57d968415c [1,1,0,0,0,0|0,0,2]=4 82 B21R0.36766 CCCCCC/C=C/C=C/COCCCCCCC(=O)OC 9af3aef3476d255bc110283315723533 [0,2,0,0,0,0|0,0,2]=4 83 B21R0.36766 CCCCCCC/C=C/C=C/COCCCCCC(=O)OC 6478a2adf31482da88700e271d1874ff [0,2,0,0,0,0|0,0,2]=4 84 B21R0.81 CCCCCC/C=C/C=C/COCCCCCCCC(=O)O 0b08caea74983b3d939b1c2527c89673 [0,2,0,0,0,0|0,0,2]=4 85 B21R0.81 CCCCCCC/C=C/C=C/COCCCCCCC(=O)O d5de1bdd2433d553c3095a4ce4632f22 [0,2,0,0,0,0|0,0,2]=4 86 B19R1.274 CCCCCC/C=C/C=C/COCC1CCC(=O)O1 d2dff2fd8bac69a966a66ba37c1a3275 [1,0,0,1,0,0|1,0,1]=4 87 B19R1.735 CCCCc1ccccc1NCCCCCC(=O)C 54b87245fbe012a164248af27afc8d5e [1,0,0,1,0,0|2,0,0]=4 88 B19R1.735 CCCCc1ccccc1NCCCCCC(=O)N 2d1b1da4681496a23d2abc7e1b045446 [1,0,0,1,0,0|2,0,0]=4 89 B19R1.735 CCCCc1ccccc1NCCOCCC(=O)O f7819ad4f81736bb36b5f158a480a7b5 [1,0,0,1,0,0|2,0,0]=4 90 B19R1.735 CCCOc1ccccc1CNCCCCC(=O)O 64ac8fd2fe0ef8a8bacc622fa1980c65 [1,0,0,1,0,0|2,0,0]=4 91 B19R1.735 CCCOc1ccccc1COCCCCC(=O)O 3ddd36e61768b36d6c86c68fe15af062 [1,0,0,1,0,0|2,0,0]=4 92 B19R1.735 CCCOc1ccccc1NCCCCCC(=O)O 6ed7d35c5cbf2455511b86734ac8db48 [1,0,0,1,0,0|2,0,0]=4 93 B19R1.735 CCCSc1ccccc1NCCCCCC(=O)O dc451801b03aa63c1fb17a8c1446f964 [1,0,0,1,0,0|2,0,0]=4 94 B19R1.735 CCOCc1ccccc1NCCCCCC(=O)O 08b82b2c509c2a0895cf4ab32f8eddb2 [1,0,0,1,0,0|2,0,0]=4 95 B19R1.735 CCSCc1ccccc1NCCCCCC(=O)O 48c191b2bd450ae1e146bbd6e76d526e [1,0,0,1,0,0|2,0,0]=4 96 B19R1.735 COCCc1ccccc1NCCCCCC(=O)O 83f6f23df9277be08f2b78d3e92c18c7 [1,0,0,1,0,0|2,0,0]=4 97 B19R1.735 O=C(O)CCCCCNc1ccccc1CCCO 12958f9f4080d4f9d759f0d1cbef46b2 [1,0,0,1,0,0|2,0,0]=4 98 B19R1.742 CCCCc1ccsc1NCCCCCCC(=O)O 01b1f939013be69a421d8c0f8d94918b [1,0,0,1,0,0|2,0,0]=4 99 B19R1.1001 CCCSCc1ccccc1NCCCCC(=O)O 07aa823c2f0c5f35561932bae993eb38 [1,0,0,1,0,0|2,0,0]=4 100 B19R1.1001 CCOCCc1ccccc1NCCCCC(=O)O 5f99bbf5fdfdadb0e7ccd4e4d63457ad [1,0,0,1,0,0|2,0,0]=4 101 B19R1.1001 O=C(O)CCCCNc1ccccc1CCCCO 65eec7a2c5fbd9f1c454ee596a8b117b [1,0,0,1,0,0|2,0,0]=4 102 B19R1.4540 CCCc1ccccc1NCCCCCCC(=O)O ff286cc2f929041fba3d8ae6a5ef3f2b [1,0,0,1,0,0|1,0,1]=4 103 B19R1.418903 CCCCCC/C=C/C=C/COCC1CC1C(=O)O b615dc77d1351a1c0222b1a0c03324d3 [1,0,0,1,0,0|1,0,1]=4 104 B19R1.418903 CCCCCC/C=C/C=C/COC[C@@H]1C[C@H]1C(=O)O 13a0371eb19a9279e6062a8b86e18149 [1,0,0,1,0,0|1,0,1]=4 105 B19R1.5168 CCCCc1ccccc1NCCCCCCC=O 94a22f00af044e5ccd9228aa4fe850b2 [1,0,0,1,0,0|1,0,1]=4 106 B19R1.8986 CCCCOc1ccccc1COCCCCC=O 4898ae298994f9511fdbc7713e243121 [1,0,0,1,0,0|2,0,0]=4 107 B19R1.8986 CCCCOc1ccccc1NCCCCCC=O 278d04efec7616ac85259884bd42415e [1,0,0,1,0,0|2,0,0]=4 108 B19R1.8986 CCCOCc1ccccc1CNCCCCC=O d6d80395ba6543457ec3e884a93af974 [1,0,0,1,0,0|2,0,0]=4 109 B21R1.38845 CCCCOc1ccc(cc1NCCCCCC(=O)O)F 4feaf8e757bdc4a460851a11d98e3c91 [0,1,0,1,0,0|2,0,0]=4 110 B21R1.215 CCCCCCc1cccc(c1)NCCCCCC(=O)O 2b8fc48c871d199b61d7f6ba6d993b84 [0,1,0,1,0,0|1,0,1]=4 111 B21R1.18284 CCCCCCc1ccc(s1)NCCCCCCC(=O)O 74ed956bd114c257f919a6d7724f3ea3 [0,1,0,1,0,0|1,0,1]=4 112 B21R1.152387 CCCCOc1c(cccc1NCCCCCC(=O)O)F 174dd8bcdb2812868f96a087c504fc9d [0,1,0,1,0,0|2,0,0]=4 113 B21R1.152387 CCCCSc1c(cccc1NCCCCCC(=O)O)F 3d857a158b65b5f76cf306494b2ea581 [0,1,0,1,0,0|2,0,0]=4 114 B21R1.57253 CCCC(O)c1ccccc1NCCCCCCC(=O)O 3d27ea23a4f85178858e686639e34558 [0,1,0,1,0,0|1,0,1]=4 115 B21R1.5617 CCCOCc1ccccc1CNCCC(C)CC(=O)O f2063a91498f277def3d7aceba45b4be [0,1,0,1,0,0|2,0,0]=4 116 B21R1.69595 CCCCc1ccccc1NCCCCCCC(=O)OC 60f69927da879871856d3485f965bb55 [0,1,0,1,0,0|1,0,1]=4 117 B21R1.78200 CCCCOc1ccccc1COCCCCC(=O)OC 27f9b456520d3d43824cb9cfd1987eb6 [0,1,0,1,0,0|2,0,0]=4 118 B21R1.78200 CCCCOc1ccccc1NCCCCCC(=O)OC 75bc358d9501e1ff4d8ddfef3a3a51b6 [0,1,0,1,0,0|2,0,0]=4 119 B21R1.78200 CCCOCc1ccccc1CNCCCCC(=O)OC 27b7eb9c6708a315c12fb32eaaafcbca [0,1,0,1,0,0|2,0,0]=4 120 B21R1.78200 CCCSCc1ccccc1NCCCCCC(=O)OC 9b73230f7179d5304348f291df7b96ca [0,1,0,1,0,0|2,0,0]=4 121 B21R1.78200 CCOCCc1ccccc1NCCCCCC(=O)OC f451bc27423d06139c0e63dfa4d36c0b [0,1,0,1,0,0|2,0,0]=4 122 B21R1.78200 COC(=O)CCCCCNc1ccccc1CCCCO 0941f87a361044ac297c9587ea92cc53 [0,1,0,1,0,0|2,0,0]=4 123 B21R1.77494 CCCCCc1ccnc(c1)NCCCCCCC(=O)O 0b08ae5ec2d55094b8e42293edcb2ed1 [0,1,0,1,0,0|2,0,0]=4 124 B21R1.77494 CCCCOc1cccc(c1)NCCCCCCC(=O)O f9e14491da98e4710dd01e955168c2b6 [0,1,0,1,0,0|2,0,0]=4 125 B21R1.77494 CCCCOc1cccc(n1)NCCCCCCC(=O)O c0ef1f679d62dd5cd430317e28382eec [0,1,0,1,0,0|2,0,0]=4 126 B21R1.77494 CCCCSc1cccc(c1)NCCCCCCC(=O)O 014db53417788b9a7acd0cbc67f7df83 [0,1,0,1,0,0|2,0,0]=4 127 B21R1.77494 CCOCCc1cccc(c1)NCCCCCCC(=O)O f6952c38b80b6e84f712732a1869b341 [0,1,0,1,0,0|2,0,0]=4 128 B21R1.77494 O=C(O)CCCCCCNc1cccc(c1)CCCCO 8c5f44ae9b7fa6aad12aa32dee5b1d4a [0,1,0,1,0,0|2,0,0]=4 129 B21R1.5618 CCCCOc1ccccc1COCCCCCC(=O)C 0b25acb6780f47922303d52a4d0ba5a7 [0,1,0,1,0,0|2,0,0]=4 130 B21R1.5618 CCCCOc1ccccc1COCCCCCC(=O)N fe4b9d576e46a07c548713542f9ba627 [0,1,0,1,0,0|2,0,0]=4 131 B21R1.5618 CCCCOc1ccccc1COCCOCCC(=O)O 5f94165c3bb5822efc6db9833bb80665 [0,1,0,1,0,0|2,0,0]=4 132 B21R1.5618 CCCCOc1cccnc1NCCCCCCC(=O)O 21353edb02a76fe39ed66e246bc2a3f3 [0,1,0,1,0,0|2,0,0]=4 133 B21R1.5618 CCCCOc1ncccc1NCCCCCCC(=O)O 7316699208df2710de3a91787d8bb3d5 [0,1,0,1,0,0|2,0,0]=4 134 B21R1.5618 CCCOCc1ccccc1CNCCCCCC(=O)C 8c4d6fa238db7d52601f844d7231d018 [0,1,0,1,0,0|2,0,0]=4 135 B21R1.5618 CCCOCc1ccccc1CNCCCCCC(=O)N 4e271473dcdc1f9f82b97e2681a3de41 [0,1,0,1,0,0|2,0,0]=4 136 B21R1.5618 CCCOCc1ccccc1CNCCOCCC(=O)O a071eec21ff7c536281c0c3a8c7a98c6 [0,1,0,1,0,0|2,0,0]=4 137 B21R1.5618 CCCSCc1ccccc1NCCCCCCC(=O)O 1dd8fc0d7a401980089e50ccce73b118 [0,1,0,1,0,0|1,0,0]=3 138 B21R1.5618 CCOCCc1ccccc1NCCCCCCC(=O)O 99969e486eff6ca01ebc7de8443e65f0 [0,1,0,1,0,0|1,0,0]=3 139 B21R1.5618 COCCOc1ccccc1NCCCCCCC(=O)O f6a05f520f5c91fb027588316d694949 [0,1,0,1,0,0|2,0,0]=4 140 B21R1.5618 COCCSc1ccccc1NCCCCCCC(=O)O 3fb3133396066612cc71f04c36aa935a [0,1,0,1,0,0|2,0,0]=4 141 B21R1.5618 NCCNCc1ccccc1NCCCCCCC(=O)O fb89e4877d0473986431680da9688ba0 [0,1,0,1,0,0|2,0,0]=4 142 B21R1.5618 O=C(O)CCCCCCNc1ccccc1CCCCO e7b007a9bc7e812653d06277901a091d [0,1,0,1,0,0|1,0,0]=3 143 B21R1.5618 O=C(O)CCCCCCNc1ccccc1COCCO 2b7c1d856007b2f0016c32d75e4ff579 [0,1,0,1,0,0|2,0,0]=4 144 B21R1.5618 O=C(O)CCCCCCNc1ccccc1OCCCO b8c4effe7a9bc1a95f72740b9be2c423 [0,1,0,1,0,0|2,0,0]=4 145 B21R1.7608 CCCCCCc1ccsc1NCCCCCCC(=O)O d424d8937e4762bb4b948d619e0698d7 [0,1,0,1,0,0|1,0,1]=4 146 B21R1.66750 CCCCCSc1ccccc1NCCCCCC(=O)N 72213c1f69fcb67d5aabbf76944c3b5e [0,1,0,1,0,0|2,0,0]=4 147 B21R1.66750 CCCCCSc1ccccc1NCCCCCC(=O)O a08909cbe5f44866779278cb92c7f5b3 [0,1,0,1,0,0|1,0,0]=3 148 B21R1.66750 CCCCCSc1ccccc1NCCOCCC(=O)O 1a59e13b37c56fe19e66a83612caf0a9 [0,1,0,1,0,0|2,0,0]=4 149 B21R1.66750 CCCCSCc1ccccc1NCCCCCC(=O)N 8eb0c76e69440f2192bbd23ecad4de7c [0,1,0,1,0,0|2,0,0]=4 150 B21R1.66750 CCCCSCc1ccccc1NCCCCCC(=O)O e5ffd2562992b7e40bfd62de555a5ea6 [0,1,0,1,0,0|1,0,0]=3 151 B21R1.66750 CCCCSCc1ccccc1NCCOCCC(=O)O de92b9e973cd11398c6fa19e17f740ab [0,1,0,1,0,0|2,0,0]=4 152 B21R1.66750 CCOCCOc1ccccc1NCCCCCC(=O)O d08c32a0481ea2fe412bd5e045eb7a6f [0,1,0,1,0,0|2,0,0]=4 153 B21R1.66750 COCCCOc1ccccc1NCCCCCC(=O)O c315f89de476ab76a1b94916c74d2f56 [0,1,0,1,0,0|2,0,0]=4 154 B21R1.66750 COCCOCc1ccccc1CNCCCCC(=O)O b6e7fa46ec3872be142f62510b2a26cc [0,1,0,1,0,0|2,0,0]=4 155 B21R1.66750 COCCOCc1ccccc1NCCCCCC(=O)O 0f46da1097d8ffc6853fdf7e8d551e09 [0,1,0,1,0,0|2,0,0]=4 156 B21R1.75826 CCCCOc1cc(ccc1NCCCCCC(=O)O)F 8caf6305ff567fe72ece3b0eb268c736 [0,1,0,1,0,0|2,0,0]=4 157 B21R1.79143 CCCCC(=O)c1ccccc1NCCCCCC(=O)O ce443a7fe2c9f91c7cfb2ebf6c173fbe [0,1,0,1,0,0|1,0,1]=4 158 B21R1.900864 CCCCc1c(cccc1NCCCCCCC(=O)O)F 3ecc750d299988f2ed229582049c80ba [0,1,0,1,0,0|1,0,1]=4 159 B21R1.35210 CC(C)CCOc1ccccc1NCCCCCC(=O)O 70a660ad966e2a6fbd1ed84685cd2bd3 [0,1,0,1,0,0|2,0,0]=4 160 B21R2.24838 CCCOCc1ccccc1CNCC2CCC(=O)O2 f567e07fe8d3870550ed60e183fe22e0 [0,0,0,2,0,0|2,0,0]=4 161 B21R2.4313 COC1CCc2c1cccc2NCCCCCC(=O)O 6644cb66274cebc46dff6ef4667b5a7e [0,0,0,2,0,0|2,0,0]=4 162 B21R2.139377 CC1CC1c2ccccc2NCCCCCCC(=O)O 4e23d284914a4b77a38c20c567a02e6c [0,0,0,2,0,0|1,0,1]=4 163 B21R2.4792673 O=C(O)CCCCCCNc1ccccc1C2CCC2 9b24c5bb1ae19244a0ac767d5dd9ef4e [0,0,0,2,0,0|1,0,1]=4 164 B21R2.12618075 O=C(O)CCCCCCNc1cccc2c1CCCC2 f5920bdccfe2acca95ed2582cf627ae3 [0,0,0,2,0,0|1,0,1]=4 165 B21R2.206331 O=C(O)CCCCCNc1cccc2c1CCCC2O 46f03d8b4fb228a6458203f2c88e8ae5 [0,0,0,2,0,0|2,0,0]=4 166 B21R2.104926 O=C(O)CCCCNC1c2ccccc2CCCC1O 2af63e304f0e0d0d49e82087215227d2 [0,0,0,2,0,0|2,0,0]=4 167 B21R2.19814934 CC(=O)CCCCCN1CCCCCc2c1cccc2 c3a27e5368a01e457217b4cdbd8860bd [0,0,0,2,0,0|2,0,0]=4 168 B21R2.19814934 NC(=O)CCCCCN1CCCCCc2c1cccc2 774b9f4001afcff95002f3197cf2e7be [0,0,0,2,0,0|2,0,0]=4 169 B21R2.22406 CC(=O)CCCCCNc1ccccc1C2CCCC2 9f9c1158a906982f916598ae5f75322b [0,0,0,2,0,0|2,0,0]=4 170 B21R2.22406 CC(=O)CCCCCOc1ccccc1C2CCCC2 b9dd10516d255782e6e6e21fd54998d4 [0,0,0,2,0,0|2,0,0]=4 171 B21R2.22406 NC(=O)CCCCCNc1ccccc1C2CCCC2 90b23f8f5cc3f3716f947110b4cde535 [0,0,0,2,0,0|2,0,0]=4 172 B21R2.22406 NC(=O)CCCCCOc1ccccc1C2CCCC2 785e385e3c2107310295dd41b8bea12d [0,0,0,2,0,0|2,0,0]=4 173 B21R2.22406 O=C(O)CCCCCNc1ccccc1C2CCCC2 5c614a00f141b6a8e34b2375f9c964fe [0,0,0,2,0,0|1,0,0]=3 174 B21R2.22406 O=C(O)CCCCCNc1ccccc1C2CCCN2 cc92703d055c3e82910cfd072fe2bd0b [0,0,0,2,0,0|2,0,0]=4 175 B21R2.22406 O=C(O)CCCCCNc1ccccc1C2CCNC2 06a03453922a03ad8f4c222bf339c7ec [0,0,0,2,0,0|2,0,0]=4 176 B21R2.22406 O=C(O)CCCCCNc1ccccc1[C@@H]2CCCN2 c7f0131d2f3619bdefe8de9bae7121dd [0,0,0,2,0,0|2,0,0]=4 177 B21R2.22406 O=C(O)CCCCCNc1ccccc1[C@H]2CCCN2 bfedbef56708e14a63d907153f4caf49 [0,0,0,2,0,0|2,0,0]=4 178 B21R2.22406 O=C(O)CCCCNCc1ccccc1N2CCCC2 69d4be7d9b985750a67cb2628d423c51 [0,0,0,2,0,0|2,0,0]=4 179 B21R2.22406 O=C(O)CCOCCNc1ccccc1C2CCCC2 b8134d1f9df40ad0c7066675fe0d3c56 [0,0,0,2,0,0|2,0,0]=4 180 B21R2.22406 O=C(O)CCOCCOc1ccccc1C2CCCC2 df68455a367eaeaa5fff91a4a50f9afa [0,0,0,2,0,0|2,0,0]=4 181 B21R2.22406 O=C(O)COCCCNc1ccccc1C2CCCC2 ffcf4c1c89e37b8ae32c8078fc85b5eb [0,0,0,2,0,0|2,0,0]=4 182 B21R2.57390 CCCSCc1ccccc1N[C@@H]2CCC[C@@H]2C(=O)O bbf533780aa761c7ec576dd93a801be1 [0,0,0,2,0,0|2,0,0]=4 183 B21R2.57390 CCCSCc1ccccc1N[C@H]2CCC[C@@H]2C(=O)O 6edfe34b891530aacb227b74b0ad1aad [0,0,0,2,0,0|2,0,0]=4 184 B21R2.57390 CCCSCc1ccccc1N[C@H]2CCC[C@H]2C(=O)O 34aacace368f1137f66040a835e726b9 [0,0,0,2,0,0|2,0,0]=4 185 B21R2.57390 CCOCCc1ccccc1N[C@@H]2CCC[C@@H]2C(=O)O 17e4843b2754d50280f7841331f3c864 [0,0,0,2,0,0|2,0,0]=4 186 B21R2.57390 CCOCCc1ccccc1N[C@H]2CCC[C@@H]2C(=O)O de9d48ca7f62dbbb7c9126917a29a6da [0,0,0,2,0,0|2,0,0]=4 187 B21R2.57390 CCOCCc1ccccc1N[C@H]2CCC[C@H]2C(=O)O 3ab945d6a8481aa8673aa766eca38d13 [0,0,0,2,0,0|2,0,0]=4 188 B21R2.57390 O=C(O)[C@@H]1CCC[C@@H]1Nc2ccccc2CCCCO cdef6ec7da29e8a2cd279f5995fd65fc [0,0,0,2,0,0|2,0,0]=4 189 B21R2.57390 O=C(O)[C@H]1CCC[C@@H]1Nc2ccccc2CCCCO 8ef464307c8b1ce0fd89056f00540f83 [0,0,0,2,0,0|2,0,0]=4 190 B21R2.57390 O=C(O)[C@H]1CCC[C@H]1Nc2ccccc2CCCCO bbe356f6b16779e838c6b40764209597 [0,0,0,2,0,0|2,0,0]=4 191 B21R2.1109393 O=C(O)CCCCCNc1ccccc1OCC2CC2 ea5670e42cb5ade9d5a55e0baf69010a [0,0,0,2,0,0|2,0,0]=4 192 B21R2.1109393 O=C(O)CCCCCNc1ccccc1SCC2CC2 bb709807be6aa674796427374d7184bf [0,0,0,2,0,0|2,0,0]=4 193 B21R2.1109393 O=C(O)CCCCNCc1ccccc1OCC2CC2 c84d69fbaadf5750b0db315ebd8d60ab [0,0,0,2,0,0|2,0,0]=4 194 B21R2.1109588 O=C(O)CCCCCNc1cccc2c1CCCCN2 ef2e6e05487cb1a8a69f6097da3460e7 [0,0,0,2,0,0|2,0,0]=4 195 B21R2.1109588 O=C(O)CCCCCNc1cccc2c1OCCCC2 ff3e1e8ab464862338e9ba690e5283e7 [0,0,0,2,0,0|2,0,0]=4 196 B21R2.1971207 CCCCOc1ccccc1COCC2CC2C(=O)O f343a3e73cf4ec8f3f484060b2e5851c [0,0,0,2,0,0|2,0,0]=4 197 B21R2.1971207 CCCCOc1ccccc1COC[C@@H]2C[C@H]2C(=O)O 33104c611a49afb4cb120113d8c50de6 [0,0,0,2,0,0|2,0,0]=4 198 B21R2.1971207 CCCOCc1ccccc1CNCC2CC2C(=O)O d5ec13d0c1904683d886b41e66bdfb04 [0,0,0,2,0,0|2,0,0]=4 199 B21R2.1971207 CCCOCc1ccccc1CNC[C@@H]2C[C@H]2C(=O)O e59011d25313efbf95d52bc209c1f0f5 [0,0,0,2,0,0|2,0,0]=4 200 B21R2.4815840 O=C(O)CCCCCNc1ccccc1CC2COC2 355b34aa6733f63e854365fd292b3bf1 [0,0,0,2,0,0|2,0,0]=4 201 B21R2.4815840 O=C(O)CCCCCNc1ccccc1OC2CCC2 b42a4f0b8d80e5de302eeb1e10acd5ec [0,0,0,2,0,0|2,0,0]=4