0 B22R2.35049295 C=C(C)CCNC(=O)C(c1ccccc1)C2(CCCC2)O 03ddeed1dc9d796302c53539ecb2b10e [0,0,0,0,0,0|2,0,1]=3 1 B22R2.35049295 CC(=CCNC(=O)C(c1ccccc1)C2(CCCC2)O)C 39e4d85c6edaf726db6e4a067d94350d [0,0,0,0,0,0|2,0,1]=3 2 B22R2.35049295 CC(C)CCNC(=O)C(c1ccccc1)C2(CCCC2)O 03ea30a1b4ec940a946c676c7b2e68cb [0,0,0,0,0,0|2,0,0]=2 3 B22R2.35049295 CC(O)CCNC(=O)C(c1ccccc1)C2(CCCC2)O c3f69485aa61d8fa335cd87da27f3641 [0,0,0,0,0,0|3,0,0]=3 4 B22R2.35049295 CN(C)CCNC(=O)C(c1ccccc1)C2(CCCC2)O 83e498e2d7fd88d1a878a5e6bd2d13bb [0,0,0,0,0,0|1,0,0]=1 5 B22R2.35049295 CS(=O)CCNC(=O)C(c1ccccc1)C2(CCCC2)O 1991e648c48cfdc59e74e9a58a175952 [0,0,0,0,0,0|3,0,0]=3 6 B22R2.35049295 C[C@@H](O)CCNC(=O)C(c1ccccc1)C2(CCCC2)O 1eaa4cf8a97b3b50064539fa3f7a9eac [0,0,0,0,0,0|3,0,0]=3 7 B22R2.35049295 C[C@H](O)CCNC(=O)C(c1ccccc1)C2(CCCC2)O 1fecd30abf5c4047337d376243933b30 [0,0,0,0,0,0|3,0,0]=3 8 B22R2.35049295 NC(=O)CCNC(=O)C(c1ccccc1)C2(CCCC2)O d81ef9cc2ce2cdad17babab92310f0f3 [0,0,0,0,0,0|4,0,0]=4 9 B22R2.35049295 NC(=S)CCNC(=O)C(c1ccccc1)C2(CCCC2)O b9fc9aa43e7976319426ae1a03319765 [0,0,0,0,0,0|4,0,0]=4 10 B22R2.35049295 O=C(NCCC(F)F)C(c1ccccc1)C2(CCCC2)O c64936f4de88853b2823738a592dceee [0,0,0,0,0,0|4,0,0]=4 11 B22R2.35049295 O=C(NCCS(=O)O)C(c1ccccc1)C2(CCCC2)O 71369d219eed5c5f83a072dbf0701540 [0,0,0,0,0,0|4,0,0]=4 12 B21R2.257402 C=C(C)CCNC(=O)C(c1ccccc1)C2CCCC2 5ac84ef9ef40a2077d2ab395bb8c2e98 [1,0,0,0,0,0|2,0,1]=4 13 B21R2.257402 CC(=CCNC(=O)C(c1ccccc1)C2CCCC2)C b3fd6195148ecb3b637dd7fe2cf435c5 [1,0,0,0,0,0|2,0,1]=4 14 B21R2.257402 CC(C)CCNC(=O)C(c1ccccc1)C2CCCC2 8de570b3e043b63c550390efe1ac4acc [1,0,0,0,0,0|2,0,0]=3 15 B21R2.257402 CC(C)CCNC(=O)C(c1ccccc1)N2CCCC2 182209cb0e03c0f3df2559a9ead5cba4 [1,0,0,0,0,0|3,0,0]=4 16 B21R2.257402 CC(C)CCNC(=O)[C@@H](c1ccccc1)N2CCCC2 b88b10a7ac4b45cd582d9e772c5bb340 [1,0,0,0,0,0|3,0,0]=4 17 B21R2.257402 CC(O)CCNC(=O)C(c1ccccc1)C2CCCC2 3205ddbdbd3845a6b1ca351de4b51d73 [1,0,0,0,0,0|3,0,0]=4 18 B21R2.257402 CN(C)C/C=C/C(=O)N(c1ccccc1)C2CCCC2 adf290b3091384691cfa93cd07843dd1 [1,0,0,0,0,0|2,0,1]=4 19 B21R2.257402 CN(C)C/C=C\C(=O)N(c1ccccc1)C2CCCC2 4f1fefbbdedfaa7bc7f44c0781c876e9 [1,0,0,0,0,0|2,0,1]=4 20 B21R2.257402 CN(C)CCNC(=O)C(c1ccccc1)C2CCCC2 8f82f046da688c2ed36b693933d33b92 [1,0,0,0,0,0|1,0,0]=2 21 B21R2.257402 CN(C)CCNC(=O)C(c1ccccc1)N2CCCC2 265fc392f5d216bd149ea3814390db6a [1,0,0,0,0,0|2,0,0]=3 22 B21R2.257402 CN(C)CCNC(=O)[C@@H](c1ccccc1)N2CCCC2 18aaa4543c17e16a23cdc423f70e1909 [1,0,0,0,0,0|2,0,0]=3 23 B21R2.257402 CS(=O)CCNC(=O)C(c1ccccc1)C2CCCC2 63befb35d5ba5d7ff96ed805e5243c67 [1,0,0,0,0,0|3,0,0]=4 24 B21R2.257402 C[C@@H](O)CCNC(=O)C(c1ccccc1)C2CCCC2 e5d90f48d2b029fe0624ed45ac9a2f71 [1,0,0,0,0,0|3,0,0]=4 25 B21R2.257402 C[C@H](O)CCNC(=O)C(c1ccccc1)C2CCCC2 49d3a8202aaeabeac236ceb53c09c675 [1,0,0,0,0,0|3,0,0]=4 26 B21R2.2370361 C=CCCNC(=O)C(c1ccccc1)C2(CCCC2)O c86b2399a8d83e86eff587a6cd127fab [1,0,0,0,0,0|2,0,1]=4 27 B21R2.2370361 CC#CCNC(=O)C(c1ccccc1)C2(CCCC2)O 8f3dd0f1decffaaabce70ecd6d066550 [1,0,0,0,0,0|2,0,1]=4 28 B21R2.2370361 CC=CCNC(=O)C(c1ccccc1)C2(CCCC2)O 1995d825434281b01020ce43494353ff [1,0,0,0,0,0|2,0,1]=4 29 B21R2.2370361 CCCCNC(=O)C(c1ccccc1)C2(CCCC2)O f0ed5dcfa457d9e6631c02ab818687cd [1,0,0,0,0,0|2,0,0]=3 30 B21R2.2370361 COCCNC(=O)C(c1ccccc1)C2(CCCC2)O 6636392b9e878ae75f5fd465109a5eb1 [1,0,0,0,0,0|2,0,0]=3 31 B21R2.2370361 CSCCNC(=O)C(c1ccccc1)C2(CCCC2)O 3fb43795a82b83403ad8036b8057e49a [1,0,0,0,0,0|2,0,0]=3 32 B21R2.2370361 N#CCCNC(=O)C(c1ccccc1)C2(CCCC2)O 23d292a3ddc769b5f09eda9ac248c156 [1,0,0,0,0,0|3,0,0]=4 33 B21R2.2370361 NOCCNC(=O)C(c1ccccc1)C2(CCCC2)O 96b8b1f7ced20091587d6c0b54a651cb [1,0,0,0,0,0|3,0,0]=4 34 B21R2.2370361 O=C(NCCCCl)C(c1ccccc1)C2(CCCC2)O d4e95221682eb379b05ef5458dffa17f [1,0,0,0,0,0|3,0,0]=4 35 B21R2.2370361 O=C(NCCCO)C(c1ccccc1)C2(CCCC2)O 829f20aa527aa1bba6543decf5869aaa [1,0,0,0,0,0|3,0,0]=4 36 B23R2.59117263 CC(C)C(O)CNC(=O)C(c1ccccc1)C2(CCCC2)O ad1d6e1cf8296309fb6cce75e48969cf [0,1,0,0,0,0|2,0,0]=3 37 B23R2.59117263 CC(CNC(=O)C(c1ccccc1)C2(CCCC2)O)N(C)C dc72ee1307d9994c93a29fcd1831b74f [0,1,0,0,0,0|1,0,0]=2 38 B23R2.59117263 CN(C)C(=O)CNC(=O)C(c1ccccc1)C2(CCCC2)O b226868752070a6b0912aeffcbf2ef25 [0,1,0,0,0,0|1,0,1]=3 39 B23R2.81742070 CC(CO)CCNC(=O)C(c1ccccc1)C2(CCCC2)O ce39e1b8bd2278f3ed625eb31943af29 [0,1,0,0,0,0|2,0,0]=3 40 B23R2.81742070 CCC(C)CCNC(=O)C(c1ccccc1)C2(CCCC2)O d48471316617c801cab541ca60bb2318 [0,1,0,0,0,0|2,0,0]=3 41 B23R2.81742070 CNC(=O)CCNC(=O)C(c1ccccc1)C2(CCCC2)O 89d9697ddc3f1ba9f6a38c6ea07f8435 [0,1,0,0,0,0|3,0,0]=4 42 B23R2.81742070 COC(=O)CCNC(=O)C(c1ccccc1)C2(CCCC2)O abe678312f9b22b9358047bb1f656738 [0,1,0,0,0,0|3,0,0]=4 43 B23R2.81742070 C[C@@H](CO)CCNC(=O)C(c1ccccc1)C2(CCCC2)O c1a42bb2663294e41145cfd90afa954c [0,1,0,0,0,0|2,0,0]=3 44 B23R2.81742070 O=C(NCCC(O)CO)C(c1ccccc1)C2(CCCC2)O 1e0e3da16885ed2fe57ab189a33ac413 [0,1,0,0,0,0|3,0,0]=4 45 B23R2.84596336 CC(C)CC(C)NC(=O)C(c1ccccc1)C2(CCCC2)O 2d217a8c67d7f904c6ea3f6dea1c8079 [0,1,0,0,0,0|2,0,0]=3 46 B23R2.84596336 CC(CN(C)C)NC(=O)C(c1ccccc1)C2(CCCC2)O a650c8d6fec0a59a5330dc6fd85cd6c7 [0,1,0,0,0,0|1,0,0]=2 47 B23R2.84596336 CC(O)CC(C)NC(=O)C(c1ccccc1)C2(CCCC2)O 06b16dba5fc85ad2d9bc8dde33ad93ff [0,1,0,0,0,0|3,0,0]=4 48 B23R2.84596336 C[C@@H](CN(C)C)NC(=O)C(c1ccccc1)C2(CCCC2)O 4e4a664758a1eff9accef06efe3ad631 [0,1,0,0,0,0|1,0,0]=2 49 B23R2.84596336 C[C@H](CN(C)C)NC(=O)C(c1ccccc1)C2(CCCC2)O ad125badbb74af4afbbcf04114f26109 [0,1,0,0,0,0|1,0,0]=2 50 B23R2.84607554 CC(C)CCN(C)C(=O)C(c1ccccc1)C2(CCCC2)O bdd9e11ad7073ee6f4dfb563860b9286 [0,1,0,0,0,0|2,0,0]=3 51 B23R2.84607554 CC(O)CCN(C)C(=O)C(c1ccccc1)C2(CCCC2)O 10fbc7ab06e27029460b57afc31d2f33 [0,1,0,0,0,0|3,0,0]=4 52 B23R2.84607554 CN(C)CCN(C)C(=O)C(c1ccccc1)C2(CCCC2)O 0ccfc13271d8be130ece8429fb8aa710 [0,1,0,0,0,0|1,0,0]=2 53 B23R2.126426699 CC(C)(C)CCNC(=O)C(c1ccccc1)C2(CCCC2)O cc6acd25790537ca5f2de2756df0902f [0,1,0,0,0,0|2,0,0]=3 54 B23R2.126426699 CC(C)(F)CCNC(=O)C(c1ccccc1)C2(CCCC2)O c1fc0e0bb7d8aa0ab6bc6a4958428a08 [0,1,0,0,0,0|2,0,0]=3 55 B23R2.126426699 CC(C)(O)CCNC(=O)C(c1ccccc1)C2(CCCC2)O 62a3e074d4e4a5023f7c56d433451e8b [0,1,0,0,0,0|2,0,0]=3 56 B23R2.126426699 CS(=O)(=O)CCNC(=O)C(c1ccccc1)C2(CCCC2)O f8e8884c7ee87d69f7408ac062ea9c89 [0,1,0,0,0,0|3,0,0]=4 57 B23R3.921799 CN(C)CCCC(=O)N1c2ccccc2SC13CCCC3 bd855e57f617cd9a5202c9e24607b33d [0,0,0,1,0,0|2,1,0]=4 58 B23R3.421937978 CC1CCN(C1)C(=O)C(c2ccccc2)C3(CCCC3)O 2eb88107c0a7a251a0f1df75ccac0c62 [0,0,0,1,0,0|2,0,0]=3 59 B23R3.421937978 CN1CCN(C1)C(=O)C(c2ccccc2)C3(CCCC3)O 1f09aba7e2c09efe2aa0e8131e59f2c4 [0,0,0,1,0,0|1,0,0]=2 60 B23R3.421937978 O=C(C(c1ccccc1)C2(CCCC2)O)N3CCC(C3)F afc87def8de064e35768981e1f12f2ea [0,0,0,1,0,0|3,0,0]=4 61 B23R3.421937978 O=C(C(c1ccccc1)C2(CCCC2)O)N3CCC(C3)O fe6ff84857d48c0a06a00ecfeef0954c [0,0,0,1,0,0|3,0,0]=4 62 B23R3.421937978 O=C(C(c1ccccc1)C2(CCCC2)O)N3CC[C@@H](C3)F 1661b15aea6b6be03e7572f939e26b7e [0,0,0,1,0,0|3,0,0]=4 63 B23R3.421937978 O=C(C(c1ccccc1)C2(CCCC2)O)N3CC[C@@H](C3)O f43268e4040286a5a5eabe98eec84a70 [0,0,0,1,0,0|3,0,0]=4 64 B23R3.421937978 O=C(C(c1ccccc1)C2(CCCC2)O)N3CC[C@H](C3)F efdf59c8ef8d54d53f84a9f4030172c1 [0,0,0,1,0,0|3,0,0]=4 65 B23R3.421937978 O=C(C(c1ccccc1)C2(CCCC2)O)N3CC[C@H](C3)O 6107e5c101a6ce31a95d9c13eaeeecf9 [0,0,0,1,0,0|3,0,0]=4 66 B23R3.611415346 O=C(NC1CC(C1)O)C(c2ccccc2)C3(CCCC3)O ed361c8c9f3b826e1a700889a28b0b86 [0,0,0,1,0,0|3,0,0]=4 67 B23R3.611415346 O=C(N[C@H]1C[C@@H](C1)O)C(c2ccccc2)C3(CCCC3)O abd77ac4d5c53568e1a40882e18e2413 [0,0,0,1,0,0|3,0,0]=4 68 B23R3.611415346 O=C(N[C@H]1C[C@H](C1)O)C(c2ccccc2)C3(CCCC3)O dedf7083a4faa7352c2ce4a7518fedca [0,0,0,1,0,0|3,0,0]=4 69 B23R3.640532156 O=C(NCCC1CC1)C(c2ccccc2)C3(CCCC3)O e8e56bfdd8e854a92cf1396b12dcdb2e [0,0,0,1,0,0|2,0,0]=3 70 B23R3.640532156 O=C(NCCN1CC1)C(c2ccccc2)C3(CCCC3)O 26254de7039d322223ae9c038aa2fc7c [0,0,0,1,0,0|1,0,0]=2 71 B23R3.1108961885 CC1(CC1NC(=O)C(c2ccccc2)C3(CCCC3)O)C 0e6caf18bc89de73f66a3c562e20171f [0,0,0,1,0,0|2,0,0]=3 72 B23R3.1108961885 CC1(C[C@@H]1NC(=O)C(c2ccccc2)C3(CCCC3)O)C ad9c67dde40737bcf83b02ca584f511a [0,0,0,1,0,0|2,0,0]=3 73 B23R3.1108961885 CC1(C[C@H]1NC(=O)C(c2ccccc2)C3(CCCC3)O)C 72bae386e52c58e24cda689d33482b97 [0,0,0,1,0,0|2,0,0]=3 74 B21R2.19981052 C=C(C)CCNC(=O)C(c1ccccc1)C2(CCC2)O 3ea447e7bf406dcacb96f119434b7fee [0,0,0,0,1,0|2,0,1]=4 75 B21R2.19981052 CC(=CCNC(=O)C(c1ccccc1)C2(CCC2)O)C 842c894782e8c60210b8cc259405f660 [0,0,0,0,1,0|2,0,1]=4 76 B21R2.19981052 CC(C)CCNC(=O)C(c1ccccc1)C2(CCC2)O 0ad039177c1d963487d40a7830257ff9 [0,0,0,0,1,0|2,0,0]=3 77 B21R2.19981052 CC(O)CCNC(=O)C(c1ccccc1)C2(CCC2)O 0e4bd3c4b1fa648f0a9dcbed10eb01c7 [0,0,0,0,1,0|3,0,0]=4 78 B21R2.19981052 CN(C)CCNC(=O)C(c1ccccc1)C2(CCC2)O d05c49f931f64c33ed8815844d135a8f [0,0,0,0,1,0|1,0,0]=2 79 B21R2.19981052 CS(=O)CCNC(=O)C(c1ccccc1)C2(CCC2)O 979d492a1d63f778540c8fe275c16053 [0,0,0,0,1,0|3,0,0]=4 80 B21R2.19981052 C[C@@H](O)CCNC(=O)C(c1ccccc1)C2(CCC2)O c870e0c84ba01af65258ebaa4707568a [0,0,0,0,1,0|3,0,0]=4 81 B21R2.19981052 C[C@H](O)CCNC(=O)C(c1ccccc1)C2(CCC2)O 6a947c750e987f798b8faeb62e73e7fc [0,0,0,0,1,0|3,0,0]=4 82 B21R2.26691930 C=C(C)CNC(=O)C(c1ccccc1)C2(CCCC2)O 4e813439f59808814ad49f323091840f [0,0,0,0,1,0|2,0,1]=4 83 B21R2.26691930 CC(=O)CNC(=O)C(c1ccccc1)C2(CCCC2)O 5c7f7801d0a3b05e437f6db779923e9c [0,0,0,0,1,0|3,0,0]=4 84 B21R2.26691930 CC(C)CNC(=O)C(c1ccccc1)C2(CCCC2)O 244ff2b9f2bd75357600c620eec8b246 [0,0,0,0,1,0|2,0,0]=3 85 B21R2.26691930 CC(O)CNC(=O)C(c1ccccc1)C2(CCCC2)O e819256a5e1c8c4f7fdbec401f20af94 [0,0,0,0,1,0|3,0,0]=4 86 B21R2.26691930 C[C@@H](O)CNC(=O)C(c1ccccc1)C2(CCCC2)O 86432da0da092944d79c431e09e8c84c [0,0,0,0,1,0|3,0,0]=4 87 B21R2.26691930 C[C@H](O)CNC(=O)C(c1ccccc1)C2(CCCC2)O add827e8be6172aadc900611c3692299 [0,0,0,0,1,0|3,0,0]=4 88 B23R2.59037921 CC(=O)NCCNC(=O)C(c1ccccc1)C2(CCCC2)O b8f8b3c1f0aedfe6f85d3a55839dcc8d [0,0,0,0,0,1|3,0,0]=4 89 B23R2.59037921 CC(C)CCCNC(=O)C(c1ccccc1)C2(CCCC2)O 4874e3363446c80bba7f31497ad0713a [0,0,0,0,0,1|2,0,0]=3 90 B23R2.59037921 CC(C)OCCNC(=O)C(c1ccccc1)C2(CCCC2)O 7ebef102c349af2c4bd1243f077d1120 [0,0,0,0,0,1|2,0,0]=3 91 B23R2.59037921 CN(C)CCCNC(=O)C(c1ccccc1)C2(CCCC2)O 62af2139acf995d9f6538896900cbf9c [0,0,0,0,0,1|1,0,0]=2 92 B23R2.59037921 CS(=O)CCCNC(=O)C(c1ccccc1)C2(CCCC2)O ee3a428392dd7a91805ec60488ff54f8 [0,0,0,0,0,1|3,0,0]=4 93 B20R1.85748 CCCCOC(C(=O)OCCC(C)C)c1ccccc1 77877258c44ffd5c9cb103925053e76e [1,0,1,0,0,0|2,0,0]=4 94 B20R1.521032 CCN(CC)C(C(=O)NCCN(C)C)c1ccccc1 de38b92d370679020764cf93271e1595 [1,0,1,0,0,0|2,0,0]=4 95 B20R2.2446 CCCCNC(=O)C(c1ccccc1)C2CCCC2 996f8edb24ea0bc1f9e0e5f291c3579f [2,0,0,0,0,0|2,0,0]=4 96 B20R2.2446 COCCNC(=O)C(c1ccccc1)C2CCCC2 f14d91e48cb32744b380921043a80605 [2,0,0,0,0,0|2,0,0]=4 97 B20R2.2446 CSCCNC(=O)C(c1ccccc1)C2CCCC2 cb5743eb9011ab2bbf67caf805c8811c [2,0,0,0,0,0|2,0,0]=4 98 B20R2.10613 CC(C)CCOCC(c1ccccc1)C2CCCC2 e3b62608f30abb7228e370752f5a070d [2,0,0,0,0,0|1,0,1]=4 99 B20R2.10613 CN(C)CCCNC(c1ccccc1)C2CCCC2 29ffd6b4c2e3258370b5d6276b6a19fb [2,0,0,0,0,0|2,0,0]=4 100 B20R2.10613 CN(C)CCCOC(c1ccccc1)C2CCCC2 d1423d22279a23baa2a1aa74b4fd1657 [2,0,0,0,0,0|2,0,0]=4 101 B20R2.10613 CN(C)CCNCC(c1ccccc1)C2CCCC2 2d8c3489634eab55ccd38862fd0460c1 [2,0,0,0,0,0|1,0,1]=4 102 B20R2.10613 CN(C)CCOCC(c1ccccc1)C2CCCC2 63624901356bcef4c2f5fa515f24d151 [2,0,0,0,0,0|0,0,1]=3 103 B20R2.2758429 CCCNC(=O)C(c1ccccc1)C2(CCCC2)O 9484f0d830eace8e1e37618f55f36c89 [2,0,0,0,0,0|1,0,0]=3 104 B20R2.2758429 O=C(NCCF)C(c1ccccc1)C2(CCCC2)O 46279f5a4bd95cb97721e94829b70317 [2,0,0,0,0,0|2,0,0]=4 105 B20R2.2758429 O=C(NCCI)C(c1ccccc1)C2(CCCC2)O e856a90402bf7816166332679145ccac [2,0,0,0,0,0|2,0,0]=4 106 B20R2.2758429 O=C(NCCO)C(c1ccccc1)C2(CCCC2)O 24ec1cdb7592dd3e6b5a93b32677da0e [2,0,0,0,0,0|2,0,0]=4 107 B20R2.2758429 O=C(NCCS)C(c1ccccc1)C2(CCCC2)O d2b8baa9744e8a04bca856a0ae089dc2 [2,0,0,0,0,0|2,0,0]=4 108 B22R2.355824 CC(C)CCNC(=O)C(O)(c1ccccc1)C2CCCC2 117d33668b95dd8e400f87fa5a03ee57 [1,1,0,0,0,0|2,0,0]=4 109 B22R2.355824 CN(C)CCNC(=O)C(O)(c1ccccc1)C2CCCC2 35d95e53cb5b45ff2f40c467eda19a26 [1,1,0,0,0,0|1,0,0]=3 110 B22R2.355934 CC(C)C(O)CNC(=O)C(c1ccccc1)C2CCCC2 7c3981b9a9c4eed56f52acbb942205e3 [1,1,0,0,0,0|2,0,0]=4 111 B22R2.355934 CC(CNC(=O)C(c1ccccc1)C2CCCC2)N(C)C 799e8a8f002fb01089f9be9747ac155c [1,1,0,0,0,0|1,0,0]=3 112 B22R2.355934 CC(CNC(=O)C(c1ccccc1)N2CCCC2)N(C)C dd957f48a8a4a6c9af8075322a035fea [1,1,0,0,0,0|2,0,0]=4 113 B22R2.355934 CC(CNC(=O)[C@@H](c1ccccc1)N2CCCC2)N(C)C da330def19a4c5ce53fe4cbcf2b4a9a2 [1,1,0,0,0,0|2,0,0]=4 114 B22R2.355934 CN(C)C(=O)CNC(=O)C(c1ccccc1)C2CCCC2 ddaf3335823f3c70eb6ade84eed59fa1 [1,1,0,0,0,0|1,0,1]=4 115 B22R2.531930 CC(C)CCNC(=O)C(c1ccc(cc1)Br)C2CCCC2 49e3766e71b3a7d753edec5fffd683ab [1,1,0,0,0,0|2,0,0]=4 116 B22R2.531930 CN(C)CCNC(=O)C(c1ccc(cc1)Br)C2CCCC2 2281797374e07109d997e1f2775a0aea [1,1,0,0,0,0|1,0,0]=3 117 B22R2.531930 CN(C)CCNC(=O)C(c1ccc(cc1)Br)N2CCCC2 688d5e44cf52183ef6ca731312ee3903 [1,1,0,0,0,0|2,0,0]=4 118 B22R2.531930 CN(C)CCNC(=O)C(c1ccc(cc1)Cl)N2CCCC2 51f9289b5fcd718ec597a34fc2cb18c0 [1,1,0,0,0,0|2,0,0]=4 119 B22R2.557993 CC(CO)CCNC(=O)C(c1ccccc1)C2CCCC2 e143390df157bcc8ef249f6c0a5fed5a [1,1,0,0,0,0|2,0,0]=4 120 B22R2.557993 CCC(C)CCNC(=O)C(c1ccccc1)C2CCCC2 9328bd8a24a77a99eda908faba06b6aa [1,1,0,0,0,0|2,0,0]=4 121 B22R2.557993 C[C@@H](CO)CCNC(=O)C(c1ccccc1)C2CCCC2 63d57a9b9e871a178d85e45520dd1e1c [1,1,0,0,0,0|2,0,0]=4 122 B22R2.583434 CC(C)CC(C)NC(=O)C(c1ccccc1)C2CCCC2 37794df56f9faa39a9d193de02ab4156 [1,1,0,0,0,0|2,0,0]=4 123 B22R2.583434 CC(CN(C)C)NC(=O)C(c1ccccc1)C2CCCC2 67f29203c39f0e650fb15345c29adb53 [1,1,0,0,0,0|1,0,0]=3 124 B22R2.583434 CC(CN(C)C)NC(=O)C(c1ccccc1)N2CCCC2 a674ec9cbba42092c94e085b62e69471 [1,1,0,0,0,0|2,0,0]=4 125 B22R2.583434 CC(CN(C)C)NC(=O)[C@@H](c1ccccc1)N2CCCC2 086074b87f16d4a4589e721f65b92b19 [1,1,0,0,0,0|2,0,0]=4 126 B22R2.583434 C[C@@H](CN(C)C)NC(=O)C(c1ccccc1)C2CCCC2 a4a8014bb200848f19c82cb73e247c13 [1,1,0,0,0,0|1,0,0]=3 127 B22R2.583434 C[C@@H](CN(C)C)NC(=O)C(c1ccccc1)N2CCCC2 ada935c5f5e31c73c84cbf4466dd2aef [1,1,0,0,0,0|2,0,0]=4 128 B22R2.583434 C[C@@H](CN(C)C)NC(=O)[C@@H](c1ccccc1)N2CCCC2 821599806cc2a83b7adee3227188e749 [1,1,0,0,0,0|2,0,0]=4 129 B22R2.583434 C[C@H](CN(C)C)NC(=O)C(c1ccccc1)C2CCCC2 c1c24d5d8071c056f927f0e631c4a7d3 [1,1,0,0,0,0|1,0,0]=3 130 B22R2.583434 C[C@H](CN(C)C)NC(=O)C(c1ccccc1)N2CCCC2 6a73361026470024ede361bfccb02657 [1,1,0,0,0,0|2,0,0]=4 131 B22R2.583434 C[C@H](CN(C)C)NC(=O)[C@@H](c1ccccc1)N2CCCC2 f4d7a6c573339d4f81940d5c2a83a7b6 [1,1,0,0,0,0|2,0,0]=4 132 B22R2.583518 CC(C)CCN(C)C(=O)C(c1ccccc1)C2CCCC2 7b56b677925015c0c088e793fc816c78 [1,1,0,0,0,0|2,0,0]=4 133 B22R2.583518 CN(C)CCN(C)C(=O)C(c1ccccc1)C2CCCC2 10a7c5fdc23fb7d66e7aeaafffc82854 [1,1,0,0,0,0|1,0,0]=3 134 B22R2.583518 CN(C)CCN(C)C(=O)C(c1ccccc1)N2CCCC2 ac405e71ca2753f9f0b29bebd28ee2da [1,1,0,0,0,0|2,0,0]=4 135 B22R2.583518 CN(C)CCN(C)C(=O)[C@@H](c1ccccc1)N2CCCC2 ec31f79350c4146bcc4445648e120e78 [1,1,0,0,0,0|2,0,0]=4 136 B22R2.2875063 CC(C)(C)CCNC(=O)C(c1ccccc1)C2CCCC2 e02603b5051c3cdd5ac069b4bfe89b6c [1,1,0,0,0,0|2,0,0]=4 137 B22R2.2875063 CC(C)(F)CCNC(=O)C(c1ccccc1)C2CCCC2 6f77a6e8bb1b59332b22c0b5180ac99b [1,1,0,0,0,0|2,0,0]=4 138 B22R2.2875063 CC(C)(O)CCNC(=O)C(c1ccccc1)C2CCCC2 b5cb3817006c94c1b36e546ee2119d0f [1,1,0,0,0,0|2,0,0]=4 139 B22R2.18596135 CCCCCNC(=O)C(c1ccccc1)C2(CCCC2)O 35cef4ee4592c29a063ddfce003ad647 [1,1,0,0,0,0|2,0,0]=4 140 B22R2.18596135 CCOCCNC(=O)C(c1ccccc1)C2(CCCC2)O 8f3ab82322f5353ad300c35145440495 [1,1,0,0,0,0|2,0,0]=4 141 B22R2.18596135 CCSCCNC(=O)C(c1ccccc1)C2(CCCC2)O adad3b236ee74bab9df060f44835e880 [1,1,0,0,0,0|2,0,0]=4 142 B22R2.18596135 COCCCNC(=O)C(c1ccccc1)C2(CCCC2)O 2249d7ffab0ac6b8b1d3d061dc5bcbc2 [1,1,0,0,0,0|2,0,0]=4 143 B22R2.18596135 CSCCCNC(=O)C(c1ccccc1)C2(CCCC2)O 21c1dcc6a3d4cda53322f07bdd054774 [1,1,0,0,0,0|2,0,0]=4 144 B22R2.18596135 O=C(NCCCCCl)C(c1ccccc1)C2(CCCC2)O 09e620314c6adb74adc7beb5cb365bb8 [1,1,0,0,0,0|2,0,0]=4 145 B22R2.18596135 O=C(NCCCCO)C(c1ccccc1)C2(CCCC2)O c43fd91469266ab7581d352769363684 [1,1,0,0,0,0|2,0,0]=4 146 B22R2.18596135 O=C(NCCCCS)C(c1ccccc1)C2(CCCC2)O 71c946065c74441d4a881e48efbb6d07 [1,1,0,0,0,0|2,0,0]=4 147 B22R2.21287447 CCCCN(C)C(=O)C(c1ccccc1)C2(CCCC2)O 5fd32dc37a82ed6c1fe88cd09881e15d [1,1,0,0,0,0|2,0,0]=4 148 B22R2.21287447 COCCN(C)C(=O)C(c1ccccc1)C2(CCCC2)O 7e2082e0401155ef44863ee14e737908 [1,1,0,0,0,0|2,0,0]=4 149 B22R2.21287447 CSCCN(C)C(=O)C(c1ccccc1)C2(CCCC2)O 657640ed60a48592a97bfb0305e010ac [1,1,0,0,0,0|2,0,0]=4 150 B22R2.41594967 CCCC(C)NC(=O)C(c1ccccc1)C2(CCCC2)O 5dc3dc948cacbecbd4d01d6f7d088832 [1,1,0,0,0,0|2,0,0]=4 151 B22R2.41594967 CCC[C@H](C)NC(=O)C(c1ccccc1)C2(CCCC2)O de3a6c1c0cf3f3a799123a2b4930fc02 [1,1,0,0,0,0|2,0,0]=4 152 B22R2.41594967 COCC(C)NC(=O)C(c1ccccc1)C2(CCCC2)O 94a0549aab2436c43caff9705e689d03 [1,1,0,0,0,0|2,0,0]=4 153 B22R2.41594967 COC[C@@H](C)NC(=O)C(c1ccccc1)C2(CCCC2)O 1d498fb28714f5f706b49496a2192f01 [1,1,0,0,0,0|2,0,0]=4 154 B22R2.41594967 COC[C@H](C)NC(=O)C(c1ccccc1)C2(CCCC2)O 1a56709627afe7c3d32722a819b9dbc9 [1,1,0,0,0,0|2,0,0]=4 155 B22R2.48951462 CCC(C)CNC(=O)C(c1ccccc1)C2(CCCC2)O 507f81710f82c344904109e80ccb7576 [1,1,0,0,0,0|2,0,0]=4 156 B22R2.48951462 CC[C@H](C)CNC(=O)C(c1ccccc1)C2(CCCC2)O 1b2d99ac50698d5fd4463f116e8d5f95 [1,1,0,0,0,0|2,0,0]=4 157 B22R2.48951462 CNC(=O)CNC(=O)C(c1ccccc1)C2(CCCC2)O 3b9bbc9f8e72cba317230a1ca142516a [1,1,0,0,0,0|1,0,1]=4 158 B22R2.48951462 CO[C@@H](C)CNC(=O)C(c1ccccc1)C2(CCCC2)O 85583284e6932c16a28a5a1f0b81d7a2 [1,1,0,0,0,0|2,0,0]=4 159 B22R2.48951462 CO[C@H](C)CNC(=O)C(c1ccccc1)C2(CCCC2)O 92460ca94c4b03b2ee358921d533b212 [1,1,0,0,0,0|2,0,0]=4 160 B22R2.34799616 CC(C)C(O)CNC(=O)C(c1ccccc1)C2(CCC2)O 0c57116838ffdfc8033c241e0ba70f65 [0,1,0,0,1,0|2,0,0]=4 161 B22R2.34799616 CC(CNC(=O)C(c1ccccc1)C2(CCC2)O)N(C)C 4a4383ccbc00c068de8a0350e0fd057f [0,1,0,0,1,0|1,0,0]=3 162 B22R2.34799616 CN(C)C(=O)CNC(=O)C(c1ccccc1)C2(CCC2)O b2a1082a8185c550d7b1a437f3ec8f09 [0,1,0,0,1,0|1,0,1]=4 163 B22R2.46832837 CC(CO)CCNC(=O)C(c1ccccc1)C2(CCC2)O c88ba55a9f891319f14190af111015d8 [0,1,0,0,1,0|2,0,0]=4 164 B22R2.46832837 CCC(C)CCNC(=O)C(c1ccccc1)C2(CCC2)O 289b7ef29d846b122396da67c7f1e394 [0,1,0,0,1,0|2,0,0]=4 165 B22R2.46832837 C[C@@H](CO)CCNC(=O)C(c1ccccc1)C2(CCC2)O d7ab1b475fb4a08d8547460b455ecba4 [0,1,0,0,1,0|2,0,0]=4 166 B22R2.48361372 CC(C)CC(C)NC(=O)C(c1ccccc1)C2(CCC2)O 9b9cedb274905b8eb863f67288a86518 [0,1,0,0,1,0|2,0,0]=4 167 B22R2.48361372 CC(CN(C)C)NC(=O)C(c1ccccc1)C2(CCC2)O 0020a399534d240a6d1256919de82479 [0,1,0,0,1,0|1,0,0]=3 168 B22R2.48361372 C[C@@H](CN(C)C)NC(=O)C(c1ccccc1)C2(CCC2)O 2865921bb26fc52334cfeb1ed69c4c4d [0,1,0,0,1,0|1,0,0]=3 169 B22R2.48361372 C[C@H](CN(C)C)NC(=O)C(c1ccccc1)C2(CCC2)O 2db42356015a8c67928873146130da7f [0,1,0,0,1,0|1,0,0]=3 170 B22R2.48367752 CC(C)CCN(C)C(=O)C(c1ccccc1)C2(CCC2)O 531dd3496b995f4255fedf04cd09dd6d [0,1,0,0,1,0|2,0,0]=4 171 B22R2.48367752 CN(C)CCN(C)C(=O)C(c1ccccc1)C2(CCC2)O 04447792c772505761b379230f711507 [0,1,0,0,1,0|1,0,0]=3 172 B22R2.70192545 CC(C)(C)CCNC(=O)C(c1ccccc1)C2(CCC2)O 8b7d366fbfc4de7f7cfe358ed0b97bf0 [0,1,0,0,1,0|2,0,0]=4 173 B22R2.70192545 CC(C)(F)CCNC(=O)C(c1ccccc1)C2(CCC2)O d1f9d95ee0d0ec1beb5b2de67105bedf [0,1,0,0,1,0|2,0,0]=4 174 B22R2.70192545 CC(C)(O)CCNC(=O)C(c1ccccc1)C2(CCC2)O 6cf77a23926d128330f7c8dd3f067ebd [0,1,0,0,1,0|2,0,0]=4 175 B22R2.34761573 CC(C)C(C)NC(=O)C(c1ccccc1)C2(CCCC2)O 4a86adadb739ed48541687b1d800c4c0 [0,1,0,0,1,0|2,0,0]=4 176 B22R2.34761573 CC(C)[C@@H](C)NC(=O)C(c1ccccc1)C2(CCCC2)O 1e2fa9e6a8147a983bb5292c95e6a0b9 [0,1,0,0,1,0|2,0,0]=4 177 B22R2.34761573 CC(C)[C@H](C)NC(=O)C(c1ccccc1)C2(CCCC2)O 20f55c6b624139d01eb35dabb828b318 [0,1,0,0,1,0|2,0,0]=4 178 B22R2.34771984 CC(C)CN(C)C(=O)C(c1ccccc1)C2(CCCC2)O 538cb663329e7f10a35df4794718f8ab [0,1,0,0,1,0|2,0,0]=4 179 B22R2.35103926 CC(C)(C)CNC(=O)C(c1ccccc1)C2(CCCC2)O f019037525763d3fb152d7d8505c385a [0,1,0,0,1,0|2,0,0]=4 180 B22R2.35103926 CC(C)(O)CNC(=O)C(c1ccccc1)C2(CCCC2)O 6a8daa466f0bb68ead8ae2eecd8c6b9e [0,1,0,0,1,0|2,0,0]=4 181 B24R2.92013070 CC(C)CC(O)CNC(=O)C(c1ccccc1)C2(CCCC2)O 3b4ca5a8172ccd205910ed28cc1c3455 [0,1,0,0,0,1|2,0,0]=4 182 B24R2.92013070 CC(CNC(=O)C(c1ccccc1)C2(CCCC2)O)CN(C)C ce642c5cc1ed1ba3d7a44fcb8434d6ed [0,1,0,0,0,1|1,0,0]=3 183 B24R2.92013070 CN(C)CC(O)CNC(=O)C(c1ccccc1)C2(CCCC2)O b04a9ac8cea87d124b03547c8e850e32 [0,1,0,0,0,1|1,0,0]=3 184 B24R2.92027527 CC(C)OCCN(C)C(=O)C(c1ccccc1)C2(CCCC2)O 8159fc66a7291b5d15f9c94c2660dbfc [0,1,0,0,0,1|2,0,0]=4 185 B24R2.92027527 CN(C)CCCN(C)C(=O)C(c1ccccc1)C2(CCCC2)O 627518aa46db38de84a65da87c82d3c8 [0,1,0,0,0,1|1,0,0]=3 186 B24R2.92230262 CC(C)(C)CCCNC(=O)C(c1ccccc1)C2(CCCC2)O 03488dbe37f1f25aac0b617d5dee79fd [0,1,0,0,0,1|2,0,0]=4 187 B24R2.92230262 CC(C)(C)OCCNC(=O)C(c1ccccc1)C2(CCCC2)O d038bacfe19834a54d6ade9925238cd9 [0,1,0,0,0,1|2,0,0]=4 188 B24R2.92230262 CC(C)(C)SCCNC(=O)C(c1ccccc1)C2(CCCC2)O 8ed2f9d85b4ee0eadb3980bd180014f8 [0,1,0,0,0,1|2,0,0]=4 189 B24R2.92230262 CC(C)(O)CCCNC(=O)C(c1ccccc1)C2(CCCC2)O e7eb3cd6e162e57ec3efd8f3214312c0 [0,1,0,0,0,1|2,0,0]=4 190 B24R2.126220767 CC(CO)CCCNC(=O)C(c1ccccc1)C2(CCCC2)O 42a5130cdd7dc9ae560227ad8fba4fcc [0,1,0,0,0,1|2,0,0]=4 191 B24R2.126220767 CCN(C)CCCNC(=O)C(c1ccccc1)C2(CCCC2)O 4a1985990c1c78d1dee1907922b761aa [0,1,0,0,0,1|1,0,0]=3 192 B24R2.189715555 CC(CCNC(=O)C(c1ccccc1)C2(CCCC2)O)N(C)C 2b4d01649f89bdbed43c522f0b690910 [0,1,0,0,0,1|1,0,0]=3 193 B24R2.189715555 CN(C)C(=O)CCNC(=O)C(c1ccccc1)C2(CCCC2)O 11bea4338aa6d3ecf3ce6c91f78579b3 [0,1,0,0,0,1|1,0,0]=3 194 B24R2.189715555 C[C@@H](CCNC(=O)C(c1ccccc1)C2(CCCC2)O)N(C)C 0effd38bec5b1642e1281d295b614f63 [0,1,0,0,0,1|1,0,0]=3 195 B24R2.189715555 C[C@H](CCNC(=O)C(c1ccccc1)C2(CCCC2)O)N(C)C ac34817a11c68179f642137055b09151 [0,1,0,0,0,1|1,0,0]=3 196 B24R2.200439424 CC(C)CCC(C)NC(=O)C(c1ccccc1)C2(CCCC2)O ee3b993d3223241990fecede1d1bb3d8 [0,1,0,0,0,1|2,0,0]=4 197 B24R2.200439424 CC(CCN(C)C)NC(=O)C(c1ccccc1)C2(CCCC2)O a2c5a3d93aaf688b7be5cd3c19cb6a02 [0,1,0,0,0,1|1,0,0]=3 198 B24R2.200439424 C[C@@H](CCN(C)C)NC(=O)C(c1ccccc1)C2(CCCC2)O 704a21594ad50dddbb77ff18900ef65b [0,1,0,0,0,1|1,0,0]=3 199 B24R2.200439424 C[C@H](CCN(C)C)NC(=O)C(c1ccccc1)C2(CCCC2)O f26b6e9eb939cc4fa66e8cfbfbb86d12 [0,1,0,0,0,1|1,0,0]=3 200 B24R2.126608653 CCN(C)C(=O)CNC(=O)C(c1ccccc1)C2(CCCC2)O 6eb87b4b46835e74f812e1816b397971 [0,2,0,0,0,0|1,0,1]=4 201 B24R2.205961742 CC(C)C(CO)CNC(=O)C(c1ccccc1)C2(CCCC2)O 270a2de0a7e6738126394044f9f78290 [0,2,0,0,0,0|2,0,0]=4 202 B24R2.205961742 CCC(CNC(=O)C(c1ccccc1)C2(CCCC2)O)N(C)C 918ca97e606119699fa82db7b8e40042 [0,2,0,0,0,0|1,0,0]=3 203 B24R2.262994451 CC(C)(C)C(O)CNC(=O)C(c1ccccc1)C2(CCCC2)O add4bed237e31a3c19ad6add2d7aeed1 [0,2,0,0,0,0|2,0,0]=4 204 B24R2.262994451 CC(C)(O)C(O)CNC(=O)C(c1ccccc1)C2(CCCC2)O 505a8729b5ed1656c168532cbad0b3e4 [0,2,0,0,0,0|2,0,0]=4 205 B24R2.262994451 CC(C)(O)[C@@H](F)CNC(=O)C(c1ccccc1)C2(CCCC2)O e34878300fa2c93a6155d368f82c20bb [0,2,0,0,0,0|2,0,0]=4 206 B24R2.262994451 CC(C)(O)[C@H](F)CNC(=O)C(c1ccccc1)C2(CCCC2)O fc1353e5f3c2604c3b422d3325bd83d7 [0,2,0,0,0,0|2,0,0]=4 207 B24R2.403368185 CN(C)C(=O)CN(C)C(=O)C(c1ccccc1)C2(CCCC2)O 0f2ddc34bca94c78abe96965c6adcfe7 [0,2,0,0,0,0|1,0,1]=4 208 B24R2.405807511 CC(NC(=O)C(c1ccccc1)C2(CCCC2)O)C(=O)N(C)C f3d645099d69fd792c1f40314dab9617 [0,2,0,0,0,0|1,0,1]=4 209 B24R2.405807511 C[C@H](NC(=O)C(c1ccccc1)C2(CCCC2)O)C(=O)N(C)C 2435c337608fb0db07ca1d966ce439de [0,2,0,0,0,0|1,0,1]=4 210 B24R2.81787221 COC(C)(C)CCNC(=O)C(c1ccccc1)C2(CCCC2)O 4030da28f7e0942a481b6f519878f181 [0,2,0,0,0,0|2,0,0]=4 211 B24R2.90944831 CCC(CC)CCNC(=O)C(c1ccccc1)C2(CCCC2)O f1ef1e5b6a09d322c7441a806602aea3 [0,2,0,0,0,0|2,0,0]=4 212 B24R2.90944831 CCN(CC)CCNC(=O)C(c1ccccc1)C2(CCCC2)O fc3b591d5195d9f4cc4e46ce21329030 [0,2,0,0,0,0|1,0,0]=3 213 B24R2.90944831 COC(CCNC(=O)C(c1ccccc1)C2(CCCC2)O)OC 275f6406a010d7afebbfd39940617850 [0,2,0,0,0,0|2,0,0]=4 214 B24R2.90944831 O=C(NCCC(CO)CO)C(c1ccccc1)C2(CCCC2)O 54915db5750ef8773a5b83b68c4dcd0e [0,2,0,0,0,0|2,0,0]=4 215 B24R2.107599018 CCC(C)CC(C)NC(=O)C(c1ccccc1)C2(CCCC2)O 4823ce8351e54fdd4f51d8db6a95a133 [0,2,0,0,0,0|2,0,0]=4 216 B24R2.113110403 CN(CCO)CCNC(=O)C(c1ccccc1)C2(CCCC2)O 8486f61622c64227f9f3530333574ffd [0,2,0,0,0,0|1,0,0]=3 217 B24R2.553852512 CCN(C)CCN(C)C(=O)C(c1ccccc1)C2(CCCC2)O 8423525d7aa384b213bfa70eb97bccbc [0,2,0,0,0,0|1,0,0]=3 218 B24R2.92685841 CC(C)CC(C#N)NC(=O)C(c1ccccc1)C2(CCCC2)O a10abb39fed382f3c0a97c5f216c605a [0,2,0,0,0,0|2,0,0]=4 219 B24R2.92685841 CC(C)CC(CO)NC(=O)C(c1ccccc1)C2(CCCC2)O 2a0df2ac763cae93a106b669b438055a [0,2,0,0,0,0|2,0,0]=4 220 B24R2.92685841 CC(C)C[C@@H](CO)NC(=O)C(c1ccccc1)C2(CCCC2)O 4e1dd063566262120847df50fab1ded9 [0,2,0,0,0,0|2,0,0]=4 221 B24R2.92685841 CC(C)C[C@H](CO)NC(=O)C(c1ccccc1)C2(CCCC2)O 07593c4f00440b6213cb407b7b7cb682 [0,2,0,0,0,0|2,0,0]=4 222 B24R2.92685841 CCC(CN(C)C)NC(=O)C(c1ccccc1)C2(CCCC2)O 43defbc221a1ea4efd0f0145391d7936 [0,2,0,0,0,0|1,0,0]=3 223 B24R2.404411707 CN(C)CC(C)(C)NC(=O)C(c1ccccc1)C2(CCCC2)O d657cbbc081e3e6fc6179ab1392aa4df [0,2,0,0,0,0|1,0,0]=3 224 B24R2.92253395 CN(CCC(C)(C)C)C(=O)C(c1ccccc1)C2(CCCC2)O ab221f9f1f7bc138f7903c699c3a927e [0,2,0,0,0,0|2,0,0]=4 225 B24R2.92253395 CN(CCC(C)(C)O)C(=O)C(c1ccccc1)C2(CCCC2)O e36d297e714a03b5b7cdb3651c018bc2 [0,2,0,0,0,0|2,0,0]=4 226 B24R2.104344573 CCN(CCN(C)C)C(=O)C(c1ccccc1)C2(CCCC2)O d0e8a93a94d43c6670459d7cd69d9807 [0,2,0,0,0,0|1,0,0]=3 227 B22R2.359629 CN(C)CCNC(=O)C(c1ccccc1)C2CCCCC2 cc5a0a3efb839937519af4ac349ea206 [0,0,1,1,0,0|2,0,0]=4 228 B22R3.226879 CC1CCN(C1)C(=O)C(c2ccccc2)C3CCCC3 db07412aa88e8575575b0b2180da0a22 [1,0,0,1,0,0|2,0,0]=4 229 B22R3.226879 CN1CCN(C1)C(=O)C(c2ccccc2)C3CCCC3 d449df570f8cfa58bdd37d22850f6ec3 [1,0,0,1,0,0|1,0,0]=3 230 B22R3.226879 CN1CCN(C1)C(=O)C(c2ccccc2)N3CCCC3 77a772ea9f569662a8d86cf0292c80d9 [1,0,0,1,0,0|2,0,0]=4 231 B22R3.226879 CN1CCN(C1)C(=O)[C@@H](c2ccccc2)N3CCCC3 43af2bb777b93c2815ea2cfc03666a62 [1,0,0,1,0,0|2,0,0]=4 232 B22R3.701880 CN1CC(C1)NC(=O)C(c2ccccc2)C3CCCC3 6d72d802963390537a4d30a8a6e2dc8c [1,0,0,1,0,0|1,0,0]=3 233 B22R3.701880 CN1CC(C1)NC(=O)C(c2ccccc2)N3CCCC3 08a6013992e2e63c5431d2584b757814 [1,0,0,1,0,0|2,0,0]=4 234 B22R3.701880 CN1CC(C1)NC(=O)[C@@H](c2ccccc2)N3CCCC3 b1e3943ac5e4bbe77f5feccea548e741 [1,0,0,1,0,0|2,0,0]=4 235 B22R3.789696 O=C(NCCC1CC1)C(c2ccccc2)C3CCCC3 4bbceabb54eb4a4f38b0108a384797af [1,0,0,1,0,0|2,0,0]=4 236 B22R3.789696 O=C(NCCN1CC1)C(c2ccccc2)C3CCCC3 bc30ee59b2e94967b82271d1a03899be [1,0,0,1,0,0|1,0,0]=3 237 B22R3.789696 O=C(NCCN1CC1)C(c2ccccc2)N3CCCC3 5ccbd31b7d892305245aa6a2d2fd0df8 [1,0,0,1,0,0|2,0,0]=4 238 B22R3.789696 O=C(NCCN1CC1)[C@@H](c2ccccc2)N3CCCC3 1391f3726b752fbf6cd14b20a6544cc8 [1,0,0,1,0,0|2,0,0]=4 239 B22R3.12356570 CN(C)CCCC(=O)N1c2ccccc2C3C1CCC3 4481c0adefea3e2fdd2b391ee03c6417 [1,0,0,1,0,0|2,0,0]=4 240 B22R3.12498427 CC1(CC1NC(=O)C(c2ccccc2)C3CCCC3)C 0fc74581e27acbe7a4de1c4e3bb536f4 [1,0,0,1,0,0|2,0,0]=4 241 B22R3.12498427 CC1(C[C@@H]1NC(=O)C(c2ccccc2)C3CCCC3)C 577a3225cceb2bdfb163d88f99f5526a [1,0,0,1,0,0|2,0,0]=4 242 B22R3.12498427 CC1(C[C@H]1NC(=O)C(c2ccccc2)C3CCCC3)C 9f0cda27ddb80cdf35ff4a18958c93a7 [1,0,0,1,0,0|2,0,0]=4 243 B22R3.156803768 O=C(C(c1ccccc1)C2(CCCC2)O)N3CCSC3 86d2489cf533c6f48a3668633d4dd83a [1,0,0,1,0,0|2,0,0]=4 244 B22R3.232895276 CC1CC1NC(=O)C(c2ccccc2)C3(CCCC3)O 36355b6484b90324c85c6b65b1f66524 [1,0,0,1,0,0|2,0,0]=4 245 B22R3.312728468 O=C(NCC1CC1)C(c2ccccc2)C3(CCCC3)O 75e99951bfc94a07d7c8fdc8ff41fdae [1,0,0,1,0,0|2,0,0]=4 246 B22R3.41003652 CC1CCN(C1)C(=O)C(c2ccccc2)C3(CCC3)O 555abcd96fc42d37f7ba3a65496fb2b0 [0,0,0,1,1,0|2,0,0]=4 247 B22R3.41003652 CN1CCN(C1)C(=O)C(c2ccccc2)C3(CCC3)O 75af3151ff2595557f4509b7161ab46e [0,0,0,1,1,0|1,0,0]=3 248 B22R3.82925936 O=C(NCCC1CC1)C(c2ccccc2)C3(CCC3)O 3e2dc9eb8c56ab46044ef361878c1d0b [0,0,0,1,1,0|2,0,0]=4 249 B22R3.82925936 O=C(NCCN1CC1)C(c2ccccc2)C3(CCC3)O 5d156286cfc4d98900b848b16c4e050e [0,0,0,1,1,0|1,0,0]=3 250 B22R3.312288048 CC1(CC1NC(=O)C(c2ccccc2)C3(CCC3)O)C 823a7ffd94c5e3e5abdf97762cf55936 [0,0,0,1,1,0|2,0,0]=4 251 B22R3.312288048 CC1(C[C@@H]1NC(=O)C(c2ccccc2)C3(CCC3)O)C 0eaeb15b1c14719dff9cececa18eddc0 [0,0,0,1,1,0|2,0,0]=4 252 B22R3.312288048 CC1(C[C@H]1NC(=O)C(c2ccccc2)C3(CCC3)O)C eb40e684e2cf8a72bbffb4565b246bb4 [0,0,0,1,1,0|2,0,0]=4 253 B22R3.86439 CN(C)CCC(=O)N1c2ccccc2SC13CCCC3 2fef35b904ac6fa50ad01f89549ef84a [0,0,0,1,1,0|1,1,0]=4 254 B24R3.553077968 CC1CCCN(C1)C(=O)C(c2ccccc2)C3(CCCC3)O 5f927360805c84059d936191dba89528 [0,0,0,1,0,1|2,0,0]=4 255 B24R3.553077968 CC1CN(CCO1)C(=O)C(c2ccccc2)C3(CCCC3)O 28ee19be958098a978c0003660eb142b [0,0,0,1,0,1|2,0,0]=4 256 B24R3.553077968 C[C@@H]1CCCN(C1)C(=O)C(c2ccccc2)C3(CCCC3)O 46ada490b6d8fe9f18f65a9aba576889 [0,0,0,1,0,1|2,0,0]=4 257 B24R3.553077968 C[C@@H]1CN(CCO1)C(=O)C(c2ccccc2)C3(CCCC3)O 5403647020cbbe7e2a3f1626215d490b [0,0,0,1,0,1|2,0,0]=4 258 B24R3.553077968 C[C@H]1CCCN(C1)C(=O)C(c2ccccc2)C3(CCCC3)O fa5925ce8ddb870f70525cae7d4a406a [0,0,0,1,0,1|2,0,0]=4 259 B24R3.553077968 C[C@H]1CN(CCO1)C(=O)C(c2ccccc2)C3(CCCC3)O 9456e5f5f6edaa791d35af4337ea242b [0,0,0,1,0,1|2,0,0]=4 260 B24R3.601175452 O=C(NCCOC1CC1)C(c2ccccc2)C3(CCCC3)O ca72a3dcda368a66319e64fa4831301c [0,0,0,1,0,1|2,0,0]=4 261 B24R3.1595859038 CN1CC(C1)CNC(=O)C(c2ccccc2)C3(CCCC3)O 4aef72006f7a8f2367dbc4df0a372974 [0,0,0,1,0,1|1,0,0]=3 262 B24R3.2491063683 CC1(CCCN1C(=O)C(c2ccccc2)C3(CCCC3)O)C eec7c4450e5c3464985ef7d5d69d431d [0,0,0,1,0,1|2,0,0]=4 263 B24R3.2491063683 CC1(SCCN1C(=O)C(c2ccccc2)C3(CCCC3)O)C aff17c51634c1c0becceb58c1133dff6 [0,0,0,1,0,1|2,0,0]=4 264 B24R3.3413406702 CC1(OCC1NC(=O)C(c2ccccc2)C3(CCCC3)O)C 8b38292eba2749a773c6d2458d4b85f9 [0,0,0,1,0,1|2,0,0]=4 265 B24R3.3413740973 CC1(C[C@@H]1CNC(=O)C(c2ccccc2)C3(CCCC3)O)C f4e5ddac5e95fb2bdcc24d535074bd1e [0,0,0,1,0,1|2,0,0]=4 266 B24R3.3413740973 CC1(C[C@H]1CNC(=O)C(c2ccccc2)C3(CCCC3)O)C 217a51746030b5711ad40c8648fb2cbc [0,0,0,1,0,1|2,0,0]=4 267 B24R3.1486992305 CC1CN(CC1O)C(=O)C(c2ccccc2)C3(CCCC3)O 395f5f48cb1f5fdc7f7bf5fdda4b23dd [0,1,0,1,0,0|2,0,0]=4 268 B24R3.1486992305 C[C@@H]1CN(C[C@@H]1O)C(=O)C(c2ccccc2)C3(CCCC3)O df68afc4a950ccb52086a404504323fb [0,1,0,1,0,0|2,0,0]=4 269 B24R3.1495961426 CN1CCC1CNC(=O)C(c2ccccc2)C3(CCCC3)O b5c926547b203d813a61c28973051422 [0,1,0,1,0,0|1,0,0]=3 270 B24R3.2760818448 O=C(NCC(O)C1CC1)C(c2ccccc2)C3(CCCC3)O a66afd1bfef84e864454319b7446d6d2 [0,1,0,1,0,0|2,0,0]=4 271 B24R3.3397444133 CN(C)C1CN(C1)C(=O)C(c2ccccc2)C3(CCCC3)O 119fb2b03ee546199127849afa6ea40e [0,1,0,1,0,0|1,0,0]=3 272 B24R3.312167290 CC1CCN(CC1)C(=O)C(c2ccccc2)C3(CCCC3)O 3a453ea8ef2add8fb0e159d9b91f6aad [0,1,0,1,0,0|2,0,0]=4 273 B24R3.312167290 CN1CCN(CC1)C(=O)C(c2ccccc2)C3(CCCC3)O 5a9e88d32f23c93ee7b0f2c127196a73 [0,1,0,1,0,0|1,0,0]=3 274 B24R3.379786991 O=C(NCC1CC1CO)C(c2ccccc2)C3(CCCC3)O fbe800dc8ade8fdd2ea4103ee9f5dccb [0,1,0,1,0,0|2,0,0]=4 275 B24R3.600898708 O=C(NCCC1CCC1)C(c2ccccc2)C3(CCCC3)O 21f35c1bdfe636a2e55be3e393f8ae88 [0,1,0,1,0,0|2,0,0]=4 276 B24R3.600898708 O=C(NCCC1CCO1)C(c2ccccc2)C3(CCCC3)O 7886fb712f2465b2ebe3805603855951 [0,1,0,1,0,0|2,0,0]=4 277 B24R3.600898708 O=C(NCCC1COC1)C(c2ccccc2)C3(CCCC3)O f319f8ee760061600da4a4107c8ecd8f [0,1,0,1,0,0|2,0,0]=4 278 B24R3.600898708 O=C(NCCN1CCC1)C(c2ccccc2)C3(CCCC3)O c39b1bb22afd6b02034f3e9383495bcc [0,1,0,1,0,0|1,0,0]=3 279 B24R3.600898708 O=C(NCC[C@@H]1CCO1)C(c2ccccc2)C3(CCCC3)O cf9a22f5c40e14510a56ea42f0780c27 [0,1,0,1,0,0|2,0,0]=4 280 B24R3.1053977304 CCN1CC(C1)NC(=O)C(c2ccccc2)C3(CCCC3)O da74592a071adab4047660020ae699c9 [0,1,0,1,0,0|1,0,0]=3 281 B24R3.1053977304 O=C(NC1CC(C1)CO)C(c2ccccc2)C3(CCCC3)O 411af19454fe064eba0b46e18619d0ef [0,1,0,1,0,0|2,0,0]=4 282 B24R3.1053977304 O=C(N[C@H]1C[C@@H](C1)CO)C(c2ccccc2)C3(CCCC3)O 35993e98cc45e17917b6175170a1cfd3 [0,1,0,1,0,0|2,0,0]=4 283 B24R3.1053977304 O=C(N[C@H]1C[C@H](C1)CO)C(c2ccccc2)C3(CCCC3)O d8e3e8d111f7d94718d97338f7c553c0 [0,1,0,1,0,0|2,0,0]=4 284 B24R3.1291949317 CCC1CCN(C1)C(=O)C(c2ccccc2)C3(CCCC3)O 5766496124ac45da1752488f06571dcb [0,1,0,1,0,0|2,0,0]=4 285 B24R3.1291949317 COC1CCN(C1)C(=O)C(c2ccccc2)C3(CCCC3)O d72377bab0ac984de1c79f402b1b389b [0,1,0,1,0,0|2,0,0]=4 286 B24R3.1291949317 CO[C@@H]1CCN(C1)C(=O)C(c2ccccc2)C3(CCCC3)O 3b9441c1b75c2de55b4ad5d3a1461ba1 [0,1,0,1,0,0|2,0,0]=4 287 B24R3.1291949317 CO[C@H]1CCN(C1)C(=O)C(c2ccccc2)C3(CCCC3)O bf83597689b8e1d67384dd20b3150dd2 [0,1,0,1,0,0|2,0,0]=4 288 B24R3.1291949317 O=C(C(c1ccccc1)C2(CCCC2)O)N3CCC(C3)CO b2af11b7d2cf65e2d7494ee4c526000a [0,1,0,1,0,0|2,0,0]=4 289 B24R3.1291949317 O=C(C(c1ccccc1)C2(CCCC2)O)N3CC[C@@H](C3)CO 28e732c18868526d8e15e924b4d7e5fc [0,1,0,1,0,0|2,0,0]=4 290 B24R3.1291949317 O=C(C(c1ccccc1)C2(CCCC2)O)N3CC[C@H](C3)CO 81e90a407aa4024d9c5009dc82b15dbb [0,1,0,1,0,0|2,0,0]=4 291 B24R3.3412161920 O=C(NCCC1(CC1)O)C(c2ccccc2)C3(CCCC3)O 4bc61d588493563aac55bef7239ef195 [0,1,0,1,0,0|2,0,0]=4 292 B24R3.3411882767 CC1(CC(C1)NC(=O)C(c2ccccc2)C3(CCCC3)O)O 2237c019cf85470960c78294ecded2cb [0,1,0,1,0,0|2,0,0]=4 293 B24R3.3411882767 C[C@@]1(C[C@H](C1)NC(=O)C(c2ccccc2)C3(CCCC3)O)O 7c7d2f27625b49bd7f716214f819e493 [0,1,0,1,0,0|2,0,0]=4 294 B24R3.2931844578 CC1(CCN(C1)C(=O)C(c2ccccc2)C3(CCCC3)O)C f638a4cdd45d14653f39c4516de9f42e [0,1,0,1,0,0|2,0,0]=4 295 B24R3.2931844578 CC1(CCN(C1)C(=O)C(c2ccccc2)C3(CCCC3)O)F 4f69e65487ae240c944cc91c0d58742d [0,1,0,1,0,0|2,0,0]=4 296 B24R3.2931844578 CC1(CCN(C1)C(=O)C(c2ccccc2)C3(CCCC3)O)O c2555a9d8ebc2595e10ffa7c8de646e7 [0,1,0,1,0,0|2,0,0]=4 297 B24R3.2931844578 C[C@@]1(CCN(C1)C(=O)C(c2ccccc2)C3(CCCC3)O)O 6d088f9e934518b1209f5f072c8e4f1e [0,1,0,1,0,0|2,0,0]=4 298 B24R3.2931844578 C[C@]1(CCN(C1)C(=O)C(c2ccccc2)C3(CCCC3)O)O 11d7e4fefe172ad41ea4dfe1a7201090 [0,1,0,1,0,0|2,0,0]=4 299 B24R4.1050069230 O=C(C(c1ccccc1)C2(CCCC2)O)N3CC4CC4C3 6c2b0c29d1f32d1fbfd58f2ddb2ad2ba [0,0,0,2,0,0|2,0,0]=4 300 B24R4.1050015053 O=C(C(c1ccccc1)C2(CCCC2)O)N3CC4CC3C4 e04a75fcdc79ced537ce26a9f4e239fb [0,0,0,2,0,0|2,0,0]=4 301 B24R4.1050501774 O=C(C(c1ccccc1)C2(CCCC2)O)N3CCC4C3C4 955ce1696c01599b568c52b4ee2c7b8c [0,0,0,2,0,0|2,0,0]=4 302 B20R2.262828 CC(C)CNC(=O)C(c1ccccc1)C2CCCC2 254cc2d89cf28922a99a5cca6d8eb1c9 [1,0,0,0,1,0|2,0,0]=4 303 B20R2.11053999 CC(C)CCNC(=O)C(c1ccccc1)C2CCC2 a02a474c480eaf544fe4c2913e94b684 [1,0,0,0,1,0|2,0,0]=4 304 B20R2.11053999 CN(C)CCNC(=O)C(c1ccccc1)C2CCC2 c93bc008543debf276e1f6239b5e65b5 [1,0,0,0,1,0|1,0,0]=3 305 B20R2.2195879 CCCCNC(=O)C(c1ccccc1)C2(CCC2)O 8a13d97134c6607af9fa90d979a40029 [1,0,0,0,1,0|2,0,0]=4 306 B20R2.2195879 COCCNC(=O)C(c1ccccc1)C2(CCC2)O 15b4faf2533a9dadb23402d630a7829d [1,0,0,0,1,0|2,0,0]=4 307 B20R2.2195879 CSCCNC(=O)C(c1ccccc1)C2(CCC2)O 30158a973784da6305d9b58d07f236dc [1,0,0,0,1,0|2,0,0]=4 308 B20R2.757066 CN(C)CCCNC(c1ccccc1)C2(CCC2)O 4f8230b7f271be875046666ce401e1cf [1,0,0,0,1,0|2,0,0]=4 309 B20R2.14143054 CC(C)CNC(=O)C(c1ccccc1)C2(CCC2)O e380711a543dd537a4968ee58494e1f1 [0,0,0,0,2,0|2,0,0]=4 310 B22R2.352452 CN(C)CCCC(=O)N(Cc1ccccc1)C2CCCC2 8af65f74d423f9128f7a5cd4a8e9d839 [1,0,0,0,0,1|2,0,0]=4 311 B22R2.352452 CN(C)CCNC(=O)C(Cc1ccccc1)N2CCCC2 97f936e38e14cd184c38f71f0f08e595 [1,0,0,0,0,1|2,0,0]=4 312 B22R2.354891 CC(C)CCCNC(=O)C(c1ccccc1)C2CCCC2 4804a5bd908da1b056a0264a5493bd0e [1,0,0,0,0,1|2,0,0]=4 313 B22R2.354891 CC(C)OCCNC(=O)C(c1ccccc1)C2CCCC2 394b75eb88e46a4b832355c7c0452f80 [1,0,0,0,0,1|2,0,0]=4 314 B22R2.354891 CN(C)CCCNC(=O)C(c1ccccc1)C2CCCC2 aec302e32e04d5cf8c28ec1907a5c471 [1,0,0,0,0,1|1,0,0]=3 315 B22R2.354891 CN(C)CCCNC(=O)C(c1ccccc1)N2CCCC2 18b653fc0d93c74455b113f8db2306f6 [1,0,0,0,0,1|2,0,0]=4 316 B22R2.354891 CN(C)CCCNC(=O)[C@@H](c1ccccc1)N2CCCC2 250df899369ea9b29b5a9f3a153d298a [1,0,0,0,0,1|2,0,0]=4 317 B22R2.355873 CC(C)CCCC(=O)NC(c1ccccc1)C2CCCC2 aee79284c4a558f7eeca68a212285520 [1,0,0,0,0,1|2,0,0]=4 318 B22R2.355873 CC(C)CCNC(=O)NC(c1ccccc1)C2CCCC2 58feaf4b3b0f89cca256ebbc57940d16 [1,0,0,0,0,1|2,0,0]=4 319 B22R2.355873 CN(C)C/C=C/C(=O)NC(c1ccccc1)C2CCCC2 6f594ef35cffdf29c47b74a53223cf43 [1,0,0,0,0,1|1,0,1]=4 320 B22R2.355873 CN(C)C/C=C\C(=O)NC(c1ccccc1)C2CCCC2 bf717fd0577b4b195ac9ae8a30c07ebb [1,0,0,0,0,1|1,0,1]=4 321 B22R2.355873 CN(C)CCCC(=O)NC(c1ccccc1)C2CCCC2 93180116d4537cd905cb10ccc0dbf4a9 [1,0,0,0,0,1|1,0,0]=3 322 B22R2.355873 CN(C)CCCC(=O)NC(c1ccccn1)C2CCCC2 0aad9c84d0a8b9b42279758593e88466 [1,0,0,0,0,1|2,0,0]=4 323 B22R2.355873 CN(C)CCNC(=O)NC(c1ccccc1)C2CCCC2 3d194ae6393a5d3bed71bc51455fc87d [1,0,0,0,0,1|1,0,0]=3 324 B22R2.355873 CN(C)CCNC(=O)NC(c1ccccn1)C2CCCC2 501dadad4c1be7beacca5c7ca7211f3b [1,0,0,0,0,1|2,0,0]=4 325 B22R2.355873 CN(C)CCNC(=S)NC(c1ccccc1)C2CCCC2 40e26ca05ed115e5e353a54820e4e51c [1,0,0,0,0,1|1,1,0]=4 326 B22R2.6472505 CC(C)CCNC(=O)C(OC1CCCC1)c2ccccc2 92a052f4cb01ff5f18313c75a7f78c95 [1,0,0,0,0,1|2,0,0]=4 327 B22R2.6472505 CN(C)CCNC(=O)C(OC1CCCC1)c2ccccc2 daf1331f85e5cf453a1b69defab76a70 [1,0,0,0,0,1|1,0,0]=3 328 B22R2.34753695 CC(C)CCCNC(=O)C(c1ccccc1)C2(CCC2)O 3dc84554df16fd633c844202e50bc6b2 [0,0,0,0,1,1|2,0,0]=4 329 B22R2.34753695 CC(C)OCCNC(=O)C(c1ccccc1)C2(CCC2)O aa6b47981d843a4ac92d7bc72202f43e [0,0,0,0,1,1|2,0,0]=4 330 B22R2.34753695 CN(C)CCCNC(=O)C(c1ccccc1)C2(CCC2)O b25daf55ba22ec31c1c361be46cce63c [0,0,0,0,1,1|1,0,0]=3 331 B22R2.34795792 CC(C)CCCC(=O)NC(c1ccccc1)C2(CCC2)O 14bae6020c478a48cfa744e3dacbbeb1 [0,0,0,0,1,1|2,0,0]=4 332 B22R2.34795792 CC(C)CCNC(=O)NC(c1ccccc1)C2(CCC2)O 2d8a31b6d841f0d39dd5df78a58e9a4e [0,0,0,0,1,1|2,0,0]=4 333 B22R2.34795792 CN(C)C/C=C/C(=O)NC(c1ccccc1)C2(CCC2)O 26d5d15a42ef47bdcc34dad98e992ecd [0,0,0,0,1,1|1,0,1]=4 334 B22R2.34795792 CN(C)C/C=C\C(=O)NC(c1ccccc1)C2(CCC2)O 847f0ed87b5088be3955f445925d944b [0,0,0,0,1,1|1,0,1]=4 335 B22R2.34795792 CN(C)CCCC(=O)NC(c1ccccc1)C2(CCC2)O 6629c98016b0b600c0958e08b3573648 [0,0,0,0,1,1|1,0,0]=3 336 B22R2.34795792 CN(C)CCNC(=O)NC(c1ccccc1)C2(CCC2)O 2628fb45781a202960f8b98a649f79b1 [0,0,0,0,1,1|1,0,0]=3 337 B22R2.34795792 CN(C)CCNC(=S)NC(c1ccccc1)C2(CCC2)O e8e75453192319bbc217d72d0a103bd6 [0,0,0,0,1,1|1,1,0]=4 338 B24R2.91123944 CC(C)OCCCNC(=O)C(c1ccccc1)C2(CCCC2)O 08d9d41719d17743e0e46ed475d81065 [0,0,0,0,0,2|2,0,0]=4 339 B24R2.91123944 CC(C)SCCCNC(=O)C(c1ccccc1)C2(CCCC2)O 54e43ab6f538a6c967c4a02884097d5c [0,0,0,0,0,2|2,0,0]=4 340 B24R2.91123944 CN(C)CCCCNC(=O)C(c1ccccc1)C2(CCCC2)O b8f878678408bab991f4636222f3618a [0,0,0,0,0,2|1,0,0]=3 341 B24R2.405764246 CC(C)CCOC(=O)C(OCC1(CCCC1)C)c2ccccc2 1765775ea0d75b308edf9f2a4cf983df [0,0,0,0,0,2|2,0,0]=4 342 B24R2.405764246 CC(C)CCOC(=O)C(OCC1(CCCC1)F)c2ccccc2 849523bc9ef7a39798827995d2831002 [0,0,0,0,0,2|2,0,0]=4