0 B22R2.145584 CC(C)(C)COC(=O)COc1cccc2c1CCC(=O)N2 70436c1390768c2cc0e111dc5eb724ff [0,0,0,0,0,0|2,0,2]=4 1 B21R2.107795 CC(C)CCC(C)CNc1cccc2c1CCC(=O)N2 220632d742ba546a5405f9c1594daf1c [1,0,0,0,0,0|3,0,0]=4 2 B21R2.107795 CC(C)CCC(C)COc1cccc2c1CCC(=O)C2 d79d36c7417836481f64929b77d98cf5 [1,0,0,0,0,0|3,0,0]=4 3 B21R2.107795 CC(C)CCC(C)COc1cccc2c1CCC(=O)N2 4b38a2ec61cc299ecea3d4325e5d0d3b [1,0,0,0,0,0|2,0,0]=3 4 B21R2.107795 CC(C)OCC(O)CNc1cccc2c1NCC(=O)N2 8273bd64acc6b5457d86413cea096cfe [1,0,0,0,0,0|3,0,0]=4 5 B21R2.107795 CC(C)OCC(O)CNc1cccc2c1OCC(=O)N2 d5649429d92896eea8bfee7ada0876e9 [1,0,0,0,0,0|3,0,0]=4 6 B21R2.108159 CC(C)(C)OCCCNc1cccc2c1NCC(=O)N2 dd83e7399b5cbc7fd1241ea114d0224a [1,0,0,0,0,0|3,0,0]=4 7 B21R2.108159 CC(C)(C)OCCCNc1cccc2c1OCC(=O)N2 30ae61f1ad08a862cb43b848fcd77ac1 [1,0,0,0,0,0|3,0,0]=4 8 B21R2.108159 CC(C)(C)SCCCNc1cccc2c1CCC(=O)N2 b0e3aeef5caf756e31d111f6678472e6 [1,0,0,0,0,0|2,0,0]=3 9 B21R2.108159 CC(C)(C)SCCCNc1cccc2c1OCC(=O)N2 56ffd82c308aa9611ded57eb26249d6e [1,0,0,0,0,0|3,0,0]=4 10 B21R2.108159 CC(C)(C)SCCCOc1cccc2c1CCC(=O)C2 7dd5b0dbb1c536a80b71f7f94affb979 [1,0,0,0,0,0|2,0,0]=3 11 B21R2.108159 CC(C)(C)SCCCOc1cccc2c1CCC(=O)N2 95e6f1af04fa20c8b0fe6aa425fe9fb4 [1,0,0,0,0,0|1,0,0]=2 12 B21R2.108159 CC(C)(C)SCCCOc1cccc2c1ccc(=O)[nH]2 30d443358fbd34d3fd48d3240da39422 [1,0,0,0,0,0|1,0,2]=4 13 B23R3.8309333 CC(C)(C)N1CC(C1)CNc2cccc3c2NCC(=O)N3 c2a27484d9346beefef86c39b3ea074a [0,0,0,1,0,0|3,0,0]=4 14 B23R3.8309333 CC(C)(C)N1CC(C1)CNc2cccc3c2OCC(=O)N3 b4140bd71dbe3cc210f3b0e5ed74c0b7 [0,0,0,1,0,0|3,0,0]=4 15 B21R2.108171 CC(C)(C)NC(=O)CNc1cccc2c1CCC(=O)N2 3e319fa84d5456911ba0dd24a4d71207 [0,0,0,0,1,0|1,0,2]=4 16 B21R2.108171 CC(C)(C)NC(=O)COc1cccc2c1CCC(=O)C2 ae244d89777e6c0b1ebe860491cd7680 [0,0,0,0,1,0|1,0,2]=4 17 B21R2.108171 CC(C)(C)NC(=O)COc1cccc2c1CCC(=O)N2 873ad868d14acdfbd6d963d14bb0889c [0,0,0,0,1,0|0,0,2]=3 18 B21R2.108171 CC(C)(C)OC(=O)COc1cccc2c1CCC(=O)N2 201e66bbb8b3194e5483796a9b0454bf [0,0,0,0,1,0|1,0,2]=4 19 B21R2.108171 CC(C)(O)CC(O)CNc1cccc2c1CCC(=O)N2 b9ee3947d1d9b8b746766a93913ee46a [0,0,0,0,1,0|2,0,0]=3 20 B21R2.108171 CC(C)(O)CC(O)CNc1cccc2c1OCC(=O)N2 ef1dbed905ece8bd84c645ebfb0b544e [0,0,0,0,1,0|3,0,0]=4 21 B21R2.108171 CC(C)(O)CC(O)COc1cccc2c1CCC(=O)C2 c56fd5311a7b5d2cdd6a80b519fa5dbf [0,0,0,0,1,0|2,0,0]=3 22 B21R2.108171 CC(C)(O)CC(O)COc1cccc2c1CCC(=O)N2 8a9605a8177ba2cc9eed6adbea953c92 [0,0,0,0,1,0|1,0,0]=2 23 B21R2.108171 CC(C)(O)CC(O)COc1cccc2c1ccc(=O)[nH]2 3d918e215b8904a8b6ffbda4b61a6ac2 [0,0,0,0,1,0|1,0,2]=4 24 B20R1.108292 CCC(=O)Nc1cccc(c1)OCC(C)CCC(C)C 694cbbc05349163e94e2d24261416ad0 [1,0,1,0,0,0|2,0,0]=4 25 B20R1.108302 CCC(=O)Nc1cccc(c1)NCCCSC(C)(C)C 789334d480079f2699640d32f6dc54c7 [1,0,1,0,0,0|2,0,0]=4 26 B20R1.108302 CCC(=O)Nc1cccc(c1)OCCCSC(C)(C)C d3e75095bfaea42d954efe0028b84d21 [1,0,1,0,0,0|1,0,0]=3 27 B20R1.30700 CC(C)CCC(C)COc1ccccc1CCC(=O)N 106c1b8f9aea9c0a5845b011bbbe62bb [1,0,1,0,0,0|2,0,0]=4 28 B20R1.420494 CC(C)(C)SCCCOc1ccccc1CCC(=O)N 4a14710fe84131b3a5337f1274aa6d3f [1,0,1,0,0,0|1,0,0]=3 29 B20R1.420494 CC(C)(C)SCCCOc1ccccc1CCC(=O)O 3aa346781763291d1b0755ef9a103c56 [1,0,1,0,0,0|2,0,0]=4 30 B20R1.420494 CC(C)(C)SCCCOc1ccccc1OCC(=O)N c5a7a6943489736b0ebabcd4f4dfa821 [1,0,1,0,0,0|2,0,0]=4 31 B20R1.3774928 CC(=O)Nc1cccc(c1C)NCCCOC(C)(C)C 2a8fc34a8931d737860f0d0d405d78fd [1,0,1,0,0,0|2,0,0]=4 32 B20R1.3774928 CC(=O)Nc1cccc(c1C)NCCCSC(C)(C)C 5ef877e1236b577a65fb879a405697d8 [1,0,1,0,0,0|2,0,0]=4 33 B20R2.4802 CC(=O)NCCCOc1cccc2c1CCC(=O)N2 73598c78e2df72e18b5de2cfa2b21bc5 [2,0,0,0,0,0|1,0,1]=4 34 B20R2.4802 CC(C)CCCCNc1cccc2c1CCC(=O)N2 89ccbe16580e008bba4aad87a6199388 [2,0,0,0,0,0|2,0,0]=4 35 B20R2.4802 CC(C)CCCCOc1cccc2c1CCC(=O)C2 a9876c71681a702e73f905fb2b62010f [2,0,0,0,0,0|2,0,0]=4 36 B20R2.4802 CC(C)CCCCOc1cccc2c1CCC(=O)N2 692064a00b85e718d4a574ec2cd1c642 [2,0,0,0,0,0|1,0,0]=3 37 B20R2.4802 CC(C)COCCOc1cccc2c1CCC(=O)N2 f3f8f1c4ff81420967a33c7da8b38b87 [2,0,0,0,0,0|2,0,0]=4 38 B20R2.4802 CC(C)OCCCNc1cccc2c1CCC(=O)N2 d593e0985a89fcd1321860837a2d6f04 [2,0,0,0,0,0|2,0,0]=4 39 B20R2.4802 CN(C)CCCCOc1cccc2c1CCC(=O)N2 906223fdfa8d484c0b256e812e189c21 [2,0,0,0,0,0|2,0,0]=4 40 B22R2.145578 CC(C)(C)C(=O)SCCOc1cccc2c1CCC(=O)N2 b1357024878cdf308a6c6b41146388d3 [1,1,0,0,0,0|2,0,0]=4 41 B22R2.145582 CC(C)(C)NC(=O)CCNc1cccc2c1CCC(=O)N2 9f88c8066430cb7dee1ced18b69be0c1 [1,1,0,0,0,0|1,0,1]=4 42 B22R2.145582 CC(C)(C)OC(=O)CCOc1cccc2c1CCC(=O)N2 11b6aac3bb258a62a3e603f64e857da0 [1,1,0,0,0,0|1,0,1]=4 43 B22R2.5995526 CC(C)(C)SCCCOc1ccc(c2c1CCC(=O)N2)F 180bb6ce9536201626a15e1552a3e7f9 [1,1,0,0,0,0|1,0,0]=3 44 B22R2.32341764 CN1C(=O)CCc2c1cccc2NCCCSC(C)(C)C 71c53c929f8fe88befba277d3ccfc60b [1,1,0,0,0,0|2,0,0]=4 45 B22R2.145580 CC(C)(C)CC(O)C(=O)Nc1cccc2c1CCC(=O)N2 f252e71388d7e4ed40d8e42e1112f72d [0,1,0,0,1,0|1,0,1]=4 46 B22R2.145580 CC(C)(C)C[C@@H](O)C(=O)Nc1cccc2c1CCC(=O)N2 029c8cf3cfd821cc879ab5caf880bc2d [0,1,0,0,1,0|1,0,1]=4 47 B22R2.145580 CC(C)(C)C[C@H](O)C(=O)Nc1cccc2c1CCC(=O)N2 ca9d91038abf8e4b878e81ef6dd24ea4 [0,1,0,0,1,0|1,0,1]=4 48 B22R2.5759655 CCC(C)(C)NC(=O)COc1cccc2c1CCC(=O)N2 2139c08f3424c49d58952120007133a9 [0,1,0,0,1,0|0,0,2]=4 49 B22R2.5995489 CC(C)(O)CC(O)COc1ccc(c2c1CCC(=O)N2)F 02c6dd21a5f3b987aa4f039d2b33dbd6 [0,1,0,0,1,0|1,0,0]=3 50 B22R2.32341763 CN1C(=O)CCc2c1cccc2NCC(O)CC(C)(C)O 0345a965afe988e04847c1f8d08d1073 [0,1,0,0,1,0|2,0,0]=4 51 B22R3.15336736 CC1CCC(CC1)COc2cccc3c2CCC(=O)N3 739028898d37b3b8afb2064147b9625a [1,0,0,1,0,0|2,0,0]=4 52 B22R3.15336736 O=C1COC(CN1)COc2cccc3c2CCC(=O)N3 fa6f3182993f76b6847dac15c628931f [1,0,0,1,0,0|1,0,1]=4 53 B22R3.255996 CC1(CC(CCO1)Nc2cccc3c2CCC(=O)N3)C 0078c21ce023940726d24b84568eb8e3 [1,0,0,1,0,0|2,0,0]=4 54 B22R3.255996 CC1(CC(CCO1)Oc2cccc3c2CCC(=O)N3)C 7d2e51fa1ff28c11ffa268f58e4a2b61 [1,0,0,1,0,0|1,0,0]=3 55 B22R3.255996 CC1(C[C@@H](CCO1)Nc2cccc3c2CCC(=O)N3)C 562252ea0ccafa57e5e97153d6ced600 [1,0,0,1,0,0|2,0,0]=4 56 B22R3.255996 CC1(C[C@H](CCO1)Nc2cccc3c2CCC(=O)N3)C b40d7b11afd1c3039409b403ef244edf [1,0,0,1,0,0|2,0,0]=4 57 B22R3.71815 CC(C)(C)N1CC(C1)CNc2cccc3c2CCC3=O 21a6e52bff18d9a6098fd50dd9d98c42 [0,0,0,1,1,0|2,0,0]=4 58 B20R1.108328 CCC(=O)Nc1cccc(c1)OCC(=O)NC(C)(C)C 74f1f7c15d5bfbcc3953fe7f71f055be [0,0,1,0,1,0|0,0,2]=4 59 B20R1.108328 CCC(=O)Nc1cccc(c1)OCC(O)CC(C)(C)O 857f88367d1458cfb83c5bbb76104838 [0,0,1,0,1,0|1,0,0]=3 60 B20R1.232759 CC(C)(O)CC(O)COc1ccccc1CCC(=O)N 8349907c3719bfa8ba5d3148f7fcb171 [0,0,1,0,1,0|1,0,0]=3 61 B20R1.232759 CC(C)(O)CC(O)COc1ccccc1CCC(=O)O 0241554fa41064055435ef2bb41663aa [0,0,1,0,1,0|2,0,0]=4 62 B20R2.2606 CC(C)CCC(C)COc1cccc2c1CCC2=O 72745774d1f9db6a7cfdf0ac6d9a3173 [1,0,0,0,1,0|2,0,0]=4 63 B20R2.2606 CC(C)OCC(O)CNc1cccc2c1CCC2=O 515ff2e46b179b43e12d744db81b58be [1,0,0,0,1,0|2,0,0]=4 64 B20R2.4803 CC(C)CCC(C)Oc1cccc2c1CCC(=O)N2 3cdc3cd7dd313298ca92eaa756a924ba [1,0,0,0,1,0|2,0,0]=4 65 B20R2.75244 CC(C)CC(=O)COc1cccc2c1CCC(=O)N2 04ea4b1d80bfd2b95e1a85fa736d844e [1,0,0,0,1,0|0,0,2]=4 66 B20R2.75244 CC(C)CC(O)CNc1cccc2c1NCC(=O)N2 a3bb5dba3bb2e3135d2f2328c6ee2eb9 [1,0,0,0,1,0|2,0,0]=4 67 B20R2.75244 CC(C)CC(O)CNc1cccc2c1OCC(=O)N2 e87ba1652b1b3078b7fb68dbdcd9e484 [1,0,0,0,1,0|2,0,0]=4 68 B20R2.75244 CC(C)NC(=O)COc1cccc2c1CCC(=O)N2 5fad550840bc54ac30d989398df1321c [1,0,0,0,1,0|0,0,2]=4 69 B20R2.75244 CC(COc1cccc2c1CCC(=O)N2)CN(C)C d0ab7ae44dd14a7f0adec865678dfb53 [1,0,0,0,1,0|2,0,0]=4 70 B20R2.152960 CC(C)CCC(C)COc1cccc2c1CC(=O)N2 9b7b848fa5459c17d0ef4d9c7eaf863a [1,0,0,0,1,0|2,0,0]=4 71 B20R2.2602 CC(C)(C)OCCCNc1cccc2c1CCC2=O 44876cca2ac67ead3578132ac82d02f0 [1,0,0,0,1,0|2,0,0]=4 72 B20R2.2602 CC(C)(C)SCCCNc1cccc2c1CCC2=O a4acfa2cee6a922a3da6d1f2360fed47 [1,0,0,0,1,0|2,0,0]=4 73 B20R2.2602 CC(C)(C)SCCCOc1cccc2c1CCC2=O 8574b7a19d42ae948ce78f70fddb248c [1,0,0,0,1,0|1,0,0]=3 74 B20R2.2602 CC(C)(C)SCCCOc1cccc2c1CNC2=O 555dd1619453d548f330c81934ed93d0 [1,0,0,0,1,0|2,0,0]=4 75 B20R2.2602 CC(C)(C)SCCCOc1cccc2c1COC2=O 62067ef8f48b3379968e793ad648dffb [1,0,0,0,1,0|2,0,0]=4 76 B20R2.75246 CC(C)(C)CCCNc1cccc2c1CCC(=O)C2 3c48f2ed3900cf8bb633ed763435c7c8 [1,0,0,0,1,0|2,0,0]=4 77 B20R2.75246 CC(C)(C)CCCNc1cccc2c1NCC(=O)N2 4a5aa62b3b36fcaa7d0270af627ef0b9 [1,0,0,0,1,0|2,0,0]=4 78 B20R2.75246 CC(C)(C)CCCNc1cccc2c1OCC(=O)N2 71b70fcc518ced6d2f653b70cf47127a [1,0,0,0,1,0|2,0,0]=4 79 B20R2.75246 CC(C)(C)CCCNc1ccnc2c1CCC(=O)N2 580597658188b2bb7685e4e0db504724 [1,0,0,0,1,0|2,0,0]=4 80 B20R2.75246 CC(C)(C)OCCNc1cccc2c1CCC(=O)N2 d7d0e07bd8bbd0a87192db5414e084eb [1,0,0,0,1,0|2,0,0]=4 81 B20R2.75246 CC(C)(C)OCCOc1cccc2c1CCC(=O)C2 499f3a62cfd8a41f90a20095a8ea3696 [1,0,0,0,1,0|2,0,0]=4 82 B20R2.75246 CC(C)(C)OCCOc1cccc2c1CCC(=O)N2 1d3543866ba5491c82f83e8aadd60c49 [1,0,0,0,1,0|1,0,0]=3 83 B20R2.75246 CC(C)(C)SCCNc1cccc2c1CCC(=O)N2 f2521317cb28884a87ede59f35181032 [1,0,0,0,1,0|2,0,0]=4 84 B20R2.75246 CC(C)(C)SCCOc1cccc2c1CCC(=O)C2 275d2bcdf6d9e57a2bf43a23dce19ba2 [1,0,0,0,1,0|2,0,0]=4 85 B20R2.75246 CC(C)(C)SCCOc1cccc2c1CCC(=O)N2 f7e94bab73fd51e18ddd965924cbd718 [1,0,0,0,1,0|1,0,0]=3 86 B20R2.75246 CC(C)(O)CCCNc1cccc2c1CCC(=O)N2 866e90b67d19446220e664fade662b43 [1,0,0,0,1,0|2,0,0]=4 87 B20R2.75246 CC(C)(O)CCCOc1cccc2c1CCC(=O)C2 2922fa5e934401eb6d4f48442cbe518a [1,0,0,0,1,0|2,0,0]=4 88 B20R2.75246 CC(C)(O)CCCOc1cccc2c1CCC(=O)N2 8b7c38c6b7b1fd9279e19af48c338a78 [1,0,0,0,1,0|1,0,0]=3 89 B20R2.75246 CC(F)(F)CCCOc1cccc2c1CCC(=O)N2 a32242cc671415d40bdc9534296f131d [1,0,0,0,1,0|2,0,0]=4 90 B20R2.152982 CC(C)(C)OCCCNc1cccc2c1CC(=O)N2 54c6bd3b24ba32851c206a87e6e22f56 [1,0,0,0,1,0|2,0,0]=4 91 B20R2.152982 CC(C)(C)SCCCNc1cccc2c1CC(=O)N2 f8509d18e06483de5de532ff073460c3 [1,0,0,0,1,0|2,0,0]=4 92 B20R2.152982 CC(C)(C)SCCCOc1cccc2c1CC(=O)N2 1f6e1596527d728c99360e24f42fd258 [1,0,0,0,1,0|1,0,0]=3 93 B20R2.152982 CC(C)(C)SCCCOc1cccc2c1[nH]c(=O)[nH]2 570e2fd1327368d3477abed7bffd8707 [1,0,0,0,1,0|2,0,0]=4 94 B20R2.152982 CC(C)(C)SCCCOc1ccnc2c1CC(=O)N2 a5d9c8fb503718d2bee9dbc299571a47 [1,0,0,0,1,0|2,0,0]=4 95 B20R2.2630 CC(C)(C)NC(=O)COc1cccc2c1CCC2=O dc30cabef1d42122f14a2f447ebc2695 [0,0,0,0,2,0|0,0,2]=4 96 B20R2.2630 CC(C)(O)CC(O)CNc1cccc2c1CCC2=O fe90d60a8f4ec08084f0dbe000c5df30 [0,0,0,0,2,0|2,0,0]=4 97 B20R2.2630 CC(C)(O)CC(O)COc1cccc2c1CCC2=O 25daa7c8d81c05698c98e7389ac124a1 [0,0,0,0,2,0|1,0,0]=3 98 B20R2.2630 CC(C)(O)CC(O)COc1cccc2c1CNC2=O 169c056735bd2340f806139cf037e61a [0,0,0,0,2,0|2,0,0]=4 99 B20R2.2630 CC(C)(O)CC(O)COc1cccc2c1COC2=O 34243748f918bc7a6bd9a09c3c2fc091 [0,0,0,0,2,0|2,0,0]=4 100 B20R2.75511 CC(C)(C)C(=O)COc1cccc2c1CCC(=O)N2 e1b3105341da974627d8e020a1e673ca [0,0,0,0,2,0|0,0,2]=4 101 B20R2.75511 CC(C)(C)C(O)CNc1cccc2c1NCC(=O)N2 fde1a38f430f2b56c7600354ba4c5d9c [0,0,0,0,2,0|2,0,0]=4 102 B20R2.75511 CC(C)(C)C(O)CNc1cccc2c1OCC(=O)N2 280fc12b7534cb21290a0d349b5efdf6 [0,0,0,0,2,0|2,0,0]=4 103 B20R2.152939 CC(C)(O)CC(O)CNc1cccc2c1CC(=O)N2 c4bc2271b4bf483022a212f722de5c14 [0,0,0,0,2,0|2,0,0]=4 104 B20R2.152939 CC(C)(O)CC(O)COc1cccc2c1CC(=O)N2 66c97d6a254f5d53a207f080c7bc88cd [0,0,0,0,2,0|1,0,0]=3 105 B20R2.152939 CC(C)(O)CC(O)COc1cccc2c1[nH]c(=O)[nH]2 d0ebf383d9ebe29f2bb5f594ec61f66a [0,0,0,0,2,0|2,0,0]=4 106 B20R2.152939 CC(C)(O)CC(O)COc1ccnc2c1CC(=O)N2 5c442f834b12d34d9b5ca112c046656a [0,0,0,0,2,0|2,0,0]=4 107 B22R2.145554 CC(C)(O)CCCCCOc1cccc2c1CCC(=O)N2 0d2cfd6e6923ea50795ee972a67bd005 [1,0,0,0,0,1|2,0,0]=4 108 B22R2.5852922 CC(C)(C)OCCCNc1cccc2c1OCCC(=O)N2 59c21af2b2d8758dc3f82a6bebc9a567 [1,0,0,0,0,1|2,0,0]=4