0 B12R1.854 CC(=O)Nc1c(nn(c1C)C)C bebcba43f6c29a512c776afffdaeb52f [0,0,0,0,0,0|4,0,0]=4 1 B12R1.854 CC1=C(C(=O)C(O1)C)OC(C)C 7252a7f92bab61cd4664e880b3d47865 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.854 CC1=C(C(=O)OC1C)OC(C)C d321515b4ee8feb8b8d05a38e49ca636 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.495 CC(=O)Nc1c(noc1C)C 1ce320e0664ae8eeb40234ccf9a3526d [1,0,0,0,0,0|3,0,0]=4 4 B11R1.495 CC1=C(C(=O)CC1)OC(C)C 4a980576eab7ef010ed6b9df64ae6a72 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.495 CC1=C(C(=O)CO1)OC(C)C d538e62035635532d110345aa516f062 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.598 CC1=C(C(=O)C(O1)C)OCF 97f5cd2192e644f2da4837bac9fab55b [1,0,0,0,0,0|1,0,1]=3 7 B11R1.598 CCOC1=C(C(OC1=O)C)C 2a8ee17e40238da41632ee3707828ff1 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.598 CCOC1=C(OC(C1=O)C)C 3171cd29f0d7e7ed659f06ad01fc668f [1,0,0,0,0,0|0,0,1]=2 9 B11R1.645 CC(=O)Nc1cn(nc1C)C ed82819a582bb5ed9ceb7cb82e16bd8e [1,0,0,0,0,0|3,0,0]=4 10 B13R1.3004 CCC1OC(=C(C1=O)OC(C)C)C dc2d22062872f72d069d6b54f0fce3b6 [0,1,0,0,0,0|1,0,1]=3 11 B13R1.3012 CCC1=C(C(=O)C(O1)C)OC(C)C 529f5932bab42a04f4c022cf26d13542 [0,1,0,0,0,0|1,0,1]=3 12 B13R1.4697 C=CC(C)OC1=C(OC(C1=O)C)C 715c5f277c6ceb478cd3f4a72fb931cd [0,1,0,0,0,0|1,0,1]=3 13 B13R1.4697 CC1=C(C(=O)C(O1)C)OC(C)C=O 044e4f99e0ba57a650c354f97a6ae1ec [0,1,0,0,0,0|0,0,1]=2 14 B13R1.4697 CC1=C(C(=O)C(O1)C)O[C@H](C)C=O 4b6290552060a73443accf380c2df3d6 [0,1,0,0,0,0|0,0,1]=2 15 B13R1.4697 CC1=C(C(=O)OC1C)OC(C)C=O 0fa62eb57d51f175681109b4fafeab56 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.4697 CC1=C(C(=O)OC1C)O[C@H](C)C=O 39ec698836ebe8f32081e3ca68fd2a3f [0,1,0,0,0,0|2,0,1]=4 17 B13R1.4697 CCC(C)OC1=C(OC(C1=O)C)C d3bb3465afad90fdfceb22bc671c62b2 [0,1,0,0,0,0|1,0,1]=3 18 B11R0.59 CCOC(C)C(=O)NCC(=O)C 41d42ef7e153c57fd9b3441949da5304 [0,0,1,0,0,0|2,0,1]=4 19 B11R0.93 C=CC(C)OC(C)COC(=O)C 6a409c4f6915b3818d5f7451c86f4bc9 [0,0,1,0,0,0|1,0,2]=4 20 B11R0.93 CC(=O)NCC(C)OC(C)C=O 337b846965ea4f2b5610c1ac735ca857 [0,0,1,0,0,0|1,0,2]=4 21 B11R0.93 CC(=O)NCC(C)O[C@H](C)C=O 621bb73837333aff10735e9d22049c2e [0,0,1,0,0,0|1,0,2]=4 22 B11R0.93 CC(=O)OCC(C)OC(C)C=O ecb9d410ec4b844e1ee12d06ee35ff36 [0,0,1,0,0,0|0,0,2]=3 23 B11R0.93 CC(=O)OCC(C)O[C@H](C)C=O 2c1075afe1f6b88f7f4b34d3e2755ca0 [0,0,1,0,0,0|0,0,2]=3 24 B13R1.3467 C=C(Br)COC1=C(OC(C1=O)C)C 6d80c446b30707add1eab90da7e074c3 [0,0,0,0,0,1|1,0,1]=3 25 B13R1.3467 C=C(C)COC1=C(C(OC1=O)C)C c5b8aa406a2a2b6e7784e7a84c52400d [0,0,0,0,0,1|3,0,0]=4 26 B13R1.3467 C=C(C)COC1=C(OC(C1=O)C)C a2bb4cea076c202da06f3b5f6de90f31 [0,0,0,0,0,1|1,0,0]=2 27 B13R1.3467 C=C(Cl)COC1=C(OC(C1=O)C)C 6368cf754b56ad7287c5e4747428540b [0,0,0,0,0,1|1,0,1]=3 28 B13R1.3467 C=C(F)COC1=C(OC(C1=O)C)C a09eed02a47ce7a8f03f3d92f4b0e881 [0,0,0,0,0,1|1,0,1]=3 29 B13R1.3467 CC1=C(C(=O)C(O1)C)OCC(=O)N cf54c534dbfa6a27b8f9bd52d2ac00e5 [0,0,0,0,0,1|1,0,0]=2 30 B13R1.3467 CC1=C(C(=O)C(O1)C)OCC(=O)O 063e34f790f31a1bbc5d7d64825fbe0f [0,0,0,0,0,1|1,0,0]=2 31 B13R1.3467 CC1=C(C(=O)C(O1)C)OCC(C)C 761cc9876fc5b28aaeadbeea2128c5dc [0,0,0,0,0,1|1,0,1]=3 32 B13R1.3467 CC1=C(C(=O)C(O1)C)OCC(F)F 470c0a0281e56c9d7ec3ff94a6800db9 [0,0,0,0,0,1|2,0,1]=4 33 B13R1.3467 CC1=C(C(=O)C(O1)C)OCN(C)C 4548195a751d0a452ba8d4456da22f97 [0,0,0,0,0,1|2,0,0]=3 34 B13R1.3467 CC1=C(C(=O)C(O1)C)OC[N+](=O)[O-] 42ecc24ab9661258595fd9f272f35577 [0,0,0,0,0,1|2,0,0]=3 35 B13R1.3467 CC1=C(C(=O)OC1C)OCC(=O)N e72ec5e3574340f8d7e2f58f7ddcac02 [0,0,0,0,0,1|3,0,0]=4 36 B13R1.3467 CC1=C(C(=O)OC1C)OCC(=O)O 85a6923706e59bc689f7257bc167a24e [0,0,0,0,0,1|3,0,0]=4 37 B10R0.57 COC(C)C(=O)NCC(=O)C 90097bbb36c21bf63132f3f2e8cf4c3a [1,0,1,0,0,0|2,0,0]=4 38 B10R0.57 CO[C@@H](C)C(=O)NCC(=O)C 8b0504c59fc65a1de946f1496fa60c69 [1,0,1,0,0,0|2,0,0]=4 39 B10R0.57 CO[C@H](C)C(=O)NCC(=O)C 7bcbed181ce86dff20be91527594725b [1,0,1,0,0,0|2,0,0]=4 40 B10R0.78 CC(=O)OCC(C)OCC=O 4c612e1a2a24d2dfb02adaa3a35920cb [1,0,1,0,0,0|0,0,2]=4 41 B10R0.55 CC(=O)OCCOC(C)C=O 58ff1b5872a78e21541b0f9eb49f07c6 [1,0,1,0,0,0|0,0,2]=4 42 B10R0.55 CC(=O)OCCO[C@H](C)C=O 2f1badb85a3c444e8e11c1b7448c8cf5 [1,0,1,0,0,0|0,0,2]=4 43 B10R1.187 CC1=C(C(=O)CO1)OCF 93c6d5da06a3886a1c285449b78fd54c [2,0,0,0,0,0|1,0,1]=4 44 B10R1.187 CCOC1=C(CCC1=O)C 877574aefbd7a31815c4e68472764f4f [2,0,0,0,0,0|1,0,1]=4 45 B10R1.187 CCOC1=C(OCC1=O)C bcb1ae7900548a4a549377eafa9305ca [2,0,0,0,0,0|0,0,1]=3 46 B12R0.258 CC(=O)CNC(=O)C(C)OC(=O)C 369bad013dad4720dae951b7b585ff80 [0,1,1,0,0,0|2,0,0]=4 47 B12R0.258 CC(=O)CNC(=O)[C@@H](C)OC(=O)C 4db412f952f2f06390f1c40417bd1637 [0,1,1,0,0,0|2,0,0]=4 48 B12R0.258 CC(=O)CNC(=O)[C@H](C)OC(=O)C 601f46becf1f5a65e9dc02642cf50802 [0,1,1,0,0,0|2,0,0]=4 49 B12R0.39 CCC(C=O)OC(C)COC(=O)C 1900c6d976888de7bd75cdc00faf88c0 [0,1,1,0,0,0|0,0,2]=4 50 B12R0.139 CC(=O)OCC(C)OC(C)C(=O)C 007f910067234a2c5c40aa60ea69656e [0,1,1,0,0,0|0,0,2]=4 51 B12R0.139 CC(=O)OCC(C)OC(C)C(=O)N e9393521d483a63093a5de69ec3320ce [0,1,1,0,0,0|0,0,2]=4 52 B12R0.139 CC(=O)OCC(C)O[C@@H](C)C(=O)N 6b29b8ea8a1e320bf74a3c155c48d66d [0,1,1,0,0,0|0,0,2]=4 53 B12R0.139 CC(=O)OCC(C)O[C@H](C)C(=O)N c70c19e5dbf7b1c409b34230016d6753 [0,1,1,0,0,0|0,0,2]=4 54 B12R1.2217 C#CC(C)OC1=C(OCC1=O)C 4d38ca1be86a80f273e979c412148c0e [1,1,0,0,0,0|1,0,1]=4 55 B12R1.2217 C=CC(C)OC1=C(OCC1=O)C 2fc619e1711d913328de14afd277676a [1,1,0,0,0,0|1,0,1]=4 56 B12R1.2217 CC1=C(C(=O)CC1)OC(C)C=O 8e1385d022d39acb22986c7a6f8bf74e [1,1,0,0,0,0|1,0,1]=4 57 B12R1.2217 CC1=C(C(=O)CC1)O[C@H](C)C=O 2bc3065acb68cad07150261ed99bc89a [1,1,0,0,0,0|1,0,1]=4 58 B12R1.2217 CC1=C(C(=O)CO1)OC(C)C#N 365335a1dfb987eb8b868d2a3421ca93 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.2217 CC1=C(C(=O)CO1)OC(C)C=O 23765514f2ea0c75e298853db0c224e7 [1,1,0,0,0,0|0,0,1]=3 60 B12R1.2217 CC1=C(C(=O)CO1)O[C@H](C)C=O 1bbf9645f1b79bf53e2c39c94c0b7736 [1,1,0,0,0,0|0,0,1]=3 61 B12R1.2217 CCC(C)OC1=C(OCC1=O)C 306bb304888c48329b9c637876803e37 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.192 CCC1=C(C(=O)C(O1)C)OCF 5efc64447d057fa0d00cbe29c7dfe657 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.192 CCOC1=C(OC(C1=O)C)CC 04e3be43b293f5c885c73785e287c6cc [1,1,0,0,0,0|0,0,1]=3 64 B12R1.1115 CCC1OC(=C(C1=O)OCF)C 6ddaef02af509be5dfe8704142424946 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.1115 CCOC1=C(OC(C1=O)CC)C e04789cbd5e6d7be20cd8ac0af2f90a0 [1,1,0,0,0,0|0,0,1]=3 66 B12R1.1624 C#CCOC1=C(OC(C1=O)C)C 6b8547b5329c2d7cd4df4b8eb39e93e8 [1,1,0,0,0,0|0,0,2]=4 67 B12R1.1624 C=CCOC1=C(OC(C1=O)C)C c19729d62c4a375850a325ce57803436 [1,1,0,0,0,0|0,0,1]=3 68 B12R1.1624 CC1=C(C(=O)C(O1)C)OCC#N 986c86a61c5f05c5b7a60358a3c9f200 [1,1,0,0,0,0|0,0,2]=4 69 B12R1.1624 CC1=C(C(=O)C(O1)C)OCC=O e802b71e21d4081fc13eadac5481dba3 [1,1,0,0,0,0|0,0,0]=2 70 B12R1.1624 CC1=C(C(=O)C(O1)C)OCCF fa77be7fd10c378278825d548d1933b7 [1,1,0,0,0,0|0,0,1]=3 71 B12R1.1624 CC1=C(C(=O)C(O1)C)OCCS d7b7daf59be2d1906ca477a4b9cabcab [1,1,0,0,0,0|0,0,1]=3 72 B12R1.1624 CC1=C(C(=O)OC1C)OCC=O cb93b945cc4522025326046dc9a8d3fa [1,1,0,0,0,0|2,0,0]=4 73 B12R1.1624 CCCOC1=C(OC(C1=O)C)C 9ca83afb4be805c400f41fe74f2313a6 [1,1,0,0,0,0|0,0,1]=3 74 B12R1.1624 COCOC1=C(OC(C1=O)C)C 374ecf9b2b267e1e7f0a99e9e0859e12 [1,1,0,0,0,0|0,0,1]=3 75 B12R1.1624 CSCOC1=C(OC(C1=O)C)C f74d35c1112cab9a65dd3922b8337712 [1,1,0,0,0,0|0,0,1]=3 76 B14R1.3513 C=C(Br)COC1=C(OC(C1=O)CC)C c7b159c8a8fb1a906a1ce74676c4b764 [0,1,0,0,0,1|1,0,1]=4 77 B14R1.3513 C=C(F)COC1=C(OC(C1=O)CC)C ec738e11e6406ca25a72293aa89f9339 [0,1,0,0,0,1|1,0,1]=4 78 B14R1.3513 CCC1OC(=C(C1=O)OCC(=O)N)C b11116789ca09e85f0d5cc8028ce3cd3 [0,1,0,0,0,1|1,0,0]=3 79 B14R1.3513 CCC1OC(=C(C1=O)OCC(=O)O)C 4ce7a2d8d27cbbce985abeaa5bd981a7 [0,1,0,0,0,1|1,0,0]=3 80 B14R1.3513 CCC1OC(=C(C1=O)OCC(C)C)C 3c9f3d64b6438681f69e1fcc7e67bad8 [0,1,0,0,0,1|1,0,1]=4 81 B14R1.3513 CCC1OC(=C(C1=O)OCN(C)C)C e3fd9f73df5130af7d279374455c0e08 [0,1,0,0,0,1|2,0,0]=4 82 B14R1.3513 CCC1OC(=C(C1=O)OC[N+](=O)[O-])C f207ddd53d52561bd9edbc273686357e [0,1,0,0,0,1|2,0,0]=4 83 B14R1.3573 C=C(Br)COC1=C(OC(C1=O)C)CC 5e47b37c0c5a028efec0166488a7c58b [0,1,0,0,0,1|1,0,1]=4 84 B14R1.3573 C=C(C)COC1=C(OC(C1=O)C)CC baea6f8d092e115bc378132241cd958e [0,1,0,0,0,1|1,0,0]=3 85 B14R1.3573 C=C(Cl)COC1=C(OC(C1=O)C)CC ffb5b87a90dd95d2a1fd0a2b335ad6f3 [0,1,0,0,0,1|1,0,1]=4 86 B14R1.3573 C=C(F)COC1=C(OC(C1=O)C)CC c4d5c6982fb8ee36cbe88497ae563314 [0,1,0,0,0,1|1,0,1]=4 87 B14R1.3573 CCC1=C(C(=O)C(O1)C)OCC(=O)N df9d0e67fdbfe2d59e6603f3d42489c8 [0,1,0,0,0,1|1,0,0]=3 88 B14R1.3573 CCC1=C(C(=O)C(O1)C)OCC(=O)O 72999e38de4d981c263808241c54e8fb [0,1,0,0,0,1|1,0,0]=3 89 B14R1.3573 CCC1=C(C(=O)C(O1)C)OCC(C)C 5ef92e6a89a31f84480d8a11e6358202 [0,1,0,0,0,1|1,0,1]=4 90 B14R1.3573 CCC1=C(C(=O)C(O1)C)OCN(C)C 98f3cb9744bd751c43dfce9eaeeb862a [0,1,0,0,0,1|2,0,0]=4 91 B14R1.3573 CCC1=C(C(=O)C(O1)C)OC[N+](=O)[O-] c1baa461efa66fc3e9fd030c642215a3 [0,1,0,0,0,1|2,0,0]=4 92 B14R1.15888 CC1=C(C(=O)C(O1)C)OCC(C)(C)C d2660b1ff4c96bfa51d389ccb9d099c5 [0,1,0,0,0,1|1,0,1]=4 93 B14R1.15888 CC1=C(C(=O)C(O1)C)OCC(C)(C)F 85a111375a31f1d73a940f8b346e8c5f [0,1,0,0,0,1|1,0,1]=4 94 B14R1.15888 CC1=C(C(=O)C(O1)C)OCC(C)(C)O 408b7e22ea52ea049d9c8d17fc18a3f2 [0,1,0,0,0,1|0,0,2]=4 95 B14R1.15888 CC1=C(C(=O)C(O1)C)OCS(=O)(=O)C 17908f30892bc1d512ccc2fe6f85303a [0,1,0,0,0,1|1,0,0]=3 96 B14R1.19600 C=C(C#N)COC1=C(OC(C1=O)C)C d827a7a359135787be2b8284d999637c [0,1,0,0,0,1|1,0,1]=4 97 B14R1.19600 C=C(CC)COC1=C(OC(C1=O)C)C 9d816e3c87fbdedd7e8abda6f7729bd7 [0,1,0,0,0,1|1,0,0]=3 98 B14R1.19600 C=C(COC1=C(OC(C1=O)C)C)OC 0d416ee55ede303c077558652b806eff [0,1,0,0,0,1|1,0,0]=3 99 B14R1.19600 CC1=C(C(=O)C(O1)C)OC/C(=C/Cl)/Cl f8d219a16373f5838bc01ae42e5d532c [0,1,0,0,0,1|1,0,1]=4 100 B14R1.19600 CC1=C(C(=O)C(O1)C)OCC(C)C#N e413cf48fb4fe612f8a21bee88b94191 [0,1,0,0,0,1|1,0,1]=4 101 B14R1.19600 CC1=C(C(=O)C(O1)C)OCC(O)CO 34fb1273cfa556d9c3090c6d7c059ad1 [0,1,0,0,0,1|0,0,2]=4 102 B14R1.19600 CC1=C(C(=O)C(O1)C)OC[C@@H](O)CO 88a315fe8d8856e4e1ef6848eddccf35 [0,1,0,0,0,1|0,0,2]=4 103 B14R1.19600 CC1=C(C(=O)C(O1)C)OC[C@H](O)CO 53916f640afcb51f3e42bdda80f0f2a1 [0,1,0,0,0,1|0,0,2]=4 104 B14R1.19600 CCC(=O)COC1=C(C(OC1=O)C)C c405ac7a67e8d17a515b181b5ed6590c [0,1,0,0,0,1|2,0,0]=4 105 B14R1.19600 CCC(=O)COC1=C(OC(C1=O)C)C 0e914b73dd5be238a3167c602e41355f [0,1,0,0,0,1|0,0,0]=2 106 B14R1.19600 CCC(C)COC1=C(OC(C1=O)C)C 27649820e4c4f359b01bfae652754042 [0,1,0,0,0,1|1,0,1]=4 107 B14R1.19600 CC[C@@H](C)COC1=C(OC(C1=O)C)C a63943d2354d1f3c6af9f9165d86482a [0,1,0,0,0,1|1,0,1]=4 108 B14R1.19600 CC[C@H](C)COC1=C(OC(C1=O)C)C bc87b59e5f38fbe06e0600336a19b923 [0,1,0,0,0,1|1,0,1]=4 109 B14R1.19600 CNC(=O)COC1=C(C(OC1=O)C)C 081950dfc3108690af2f81de480407cd [0,1,0,0,0,1|2,0,0]=4 110 B14R1.19600 CNC(=O)COC1=C(OC(C1=O)C)C 44e0f211de9725963709840449932f67 [0,1,0,0,0,1|0,0,0]=2 111 B14R1.19600 COC(=O)COC1=C(C(OC1=O)C)C 7443c34f9913da57e51c1c948bf5a514 [0,1,0,0,0,1|2,0,0]=4 112 B14R1.19600 COC(=O)COC1=C(OC(C1=O)C)C fdcd5bbab269c53359f34951a7c68819 [0,1,0,0,0,1|0,0,0]=2 113 B14R1.19600 COC(C)COC1=C(OC(C1=O)C)C 32f035d23b311559b2453b3bfef906db [0,1,0,0,0,1|0,0,2]=4 114 B14R1.19600 CO[C@@H](C)COC1=C(OC(C1=O)C)C bfa1ef8ce562755dade3872d1a7d9b6e [0,1,0,0,0,1|0,0,2]=4 115 B14R1.19600 CO[C@H](C)COC1=C(OC(C1=O)C)C b5cb651dacf984f184832c0cee829678 [0,1,0,0,0,1|0,0,2]=4 116 B14R1.3515 C=CC(C)OC1=C(OC(C1=O)CC)C b8657e7faaffa75bacfe8f527bbaed17 [0,2,0,0,0,0|1,0,1]=4 117 B14R1.3515 CCC(C)OC1=C(OC(C1=O)CC)C 97af25a9d11da9fb7c95e3fb23816ad6 [0,2,0,0,0,0|1,0,1]=4 118 B14R1.3515 CCC1OC(=C(C1=O)OC(C)C=O)C 94c8e04457695d4b5e5ca80c6b95f51d [0,2,0,0,0,0|0,0,1]=3 119 B14R1.3515 CCC1OC(=C(C1=O)O[C@H](C)C=O)C e459f918b26fd23169d97f6a3342107e [0,2,0,0,0,0|0,0,1]=3 120 B14R1.3534 C=CC(C)OC1=C(OC(C1=O)C)CC fc16168e2f9f653920b49ea24f994189 [0,2,0,0,0,0|1,0,1]=4 121 B14R1.3534 CCC1=C(C(=O)C(O1)C)OC(C)C=O 52b14da6b5bf7257504860b69f102498 [0,2,0,0,0,0|0,0,1]=3 122 B14R1.3534 CCC1=C(C(=O)C(O1)C)OC(C)CC a0c8f10d4f2ca2ff791007d8e79e2603 [0,2,0,0,0,0|1,0,1]=4 123 B14R1.3534 CCC1=C(C(=O)C(O1)C)O[C@H](C)C=O 7dfada6b8d77875f5d1732b18b726007 [0,2,0,0,0,0|0,0,1]=3 124 B14R1.16038 CC1=C(C(=O)C(O1)C)OC(C=O)C=O 77aee589759e260c0cf44b8a039d2af9 [0,2,0,0,0,0|0,0,2]=4 125 B14R1.16038 CC1=C(C(=O)C(O1)C)OC(CO)CO 7a2f8055d79acbbbdab10351166454a8 [0,2,0,0,0,0|0,0,2]=4 126 B14R1.16038 CCC(C=O)OC1=C(OC(C1=O)C)C 39912bc8f2df1660aa48f1671e13237f [0,2,0,0,0,0|0,0,1]=3 127 B14R1.16038 CCC(CC)OC1=C(OC(C1=O)C)C 2083b2ef6c16464477172a32fc021b36 [0,2,0,0,0,0|1,0,1]=4 128 B14R1.18870 CC1=C(C(=O)C(O1)C)OC(C)CC#N a163d46b640e0ef287247243e064a9de [0,2,0,0,0,0|1,0,1]=4 129 B14R1.18870 CCCC(C)OC1=C(OC(C1=O)C)C 098da18413d018b10de4e9f045cc2dc0 [0,2,0,0,0,0|1,0,1]=4 130 B14R1.18870 COCC(C)OC1=C(OC(C1=O)C)C aa28e49661267279b3cb025e66e7a882 [0,2,0,0,0,0|0,0,2]=4 131 B12R1.49 CC(C=O)OC1CCC(=O)OC1 14304eab55b670f865e0442635c76263 [0,0,1,1,0,0|0,0,2]=4 132 B12R1.49 C[C@H](C=O)OC1CCC(=O)OC1 ead60d63302a389a306accd5b8afaab7 [0,0,1,1,0,0|0,0,2]=4 133 B12R2.2033 CC1=C(C(=O)CO1)OC2CC2 d24e80ea98804ccabe1241a8c51d7184 [1,0,0,1,0,0|1,0,1]=4 134 B14R2.4451 CC1=C(C(=O)C(O1)C)OCC2CC2 6ee9cf6dbb31b508520cdd0e3ac6cda8 [0,0,0,1,0,1|1,0,1]=4 135 B10R0.44 C=CC(C)OC(C)OC(=O)C 7e808d24f4440e1c19309e4bd527021b [0,0,1,0,1,0|1,0,1]=4 136 B10R0.44 C=C[C@H](C)OC(C)OC(=O)C 6ca365b40ae70ee60203b92cc40f39b2 [0,0,1,0,1,0|1,0,1]=4 137 B10R0.44 CC(=O)OC(C)OC(C)C=O d232af96986f833348aa3215c2c01c4a [0,0,1,0,1,0|0,0,1]=3 138 B12R0.189 CC(=O)OCC(=O)COC(C)C=O cc1e495808edbabd225a346a1c0b9b54 [0,0,1,0,0,1|1,0,1]=4 139 B12R0.189 CC(=O)OCC(C)COC(C)C=O f55ee6d2cc670d7b9094a13e5d83f7e3 [0,0,1,0,0,1|0,0,2]=4 140 B12R0.189 CC(=O)OC[C@H](C)COC(C)C=O 20bb09b42772d296afe259c3edd12b1a [0,0,1,0,0,1|0,0,2]=4 141 B12R0.189 CC(=O)OC[C@H](C)CO[C@H](C)C=O 6a98899b0380140877e71fe224330b36 [0,0,1,0,0,1|0,0,2]=4 142 B12R1.895 C=C(Br)COC1=C(OCC1=O)C 0d63881c803b17f91a69c1f5ade5688f [1,0,0,0,0,1|1,0,1]=4 143 B12R1.895 C=C(C)COC1=C(CCC1=O)C bee97e853b3e40393dc19095340c1740 [1,0,0,0,0,1|2,0,0]=4 144 B12R1.895 C=C(C)COC1=C(OCC1=O)C 8895e70c3fc337920c79e074e424412e [1,0,0,0,0,1|1,0,0]=3 145 B12R1.895 C=C(Cl)COC1=C(OCC1=O)C d1a95144abcadeea2ea23580f097ca8a [1,0,0,0,0,1|1,0,1]=4 146 B12R1.895 C=C(F)COC1=C(OCC1=O)C d6d4f2574d68be297970b339158ce351 [1,0,0,0,0,1|1,0,1]=4 147 B12R1.895 CC(=O)COC1C(=O)COC1=O 204613f07235045bbd6fc3f903c5f52d [1,0,0,0,0,1|1,0,1]=4 148 B12R1.895 CC1=C(C(=O)CC1)OCC(=O)N 5571e542a078d1206a629f17f1a94bf2 [1,0,0,0,0,1|2,0,0]=4 149 B12R1.895 CC1=C(C(=O)CC1)OCC(=O)O a222c6be08d75f69233f8a8db8666230 [1,0,0,0,0,1|2,0,0]=4 150 B12R1.895 CC1=C(C(=O)CO1)OCC(=O)N 257c52e6117b0e6c575cc69bf26c9d19 [1,0,0,0,0,1|1,0,0]=3 151 B12R1.895 CC1=C(C(=O)CO1)OCC(=O)O 73d9264a2c23cebaa924e0dde1819a0e [1,0,0,0,0,1|1,0,0]=3 152 B12R1.895 CC1=C(C(=O)CO1)OCC(C)C 4d689dac20a49c57e27701e84c83ef6e [1,0,0,0,0,1|1,0,1]=4 153 B12R1.895 CC1=C(C(=O)CO1)OCN(C)C f9ce2dcf8a2b13366fd61b77aceb473c [1,0,0,0,0,1|2,0,0]=4 154 B12R1.895 CC1=C(C(=O)CO1)OC[N+](=O)[O-] 30c2f68212c7606dd913a0042a7f341b [1,0,0,0,0,1|2,0,0]=4 155 B14R1.3152 CC(=O)CNc1c(oc(cc1=O)C)C 65512bcbedb67dda6551f6589f02d5c9 [0,0,0,0,0,2|1,0,1]=4 156 B14R1.15887 CC(=CCOC1=C(OC(C1=O)C)C)C d1b7b72b89012a3f23e996ea0f5ab21d [0,0,0,0,0,2|1,0,0]=3 157 B14R1.15887 CC(=CCOC1=C(OC(C1=O)C)C)Cl 761752c9e465a3991d832451ce47b10f [0,0,0,0,0,2|1,0,0]=3 158 B14R1.15887 CC(=CCOC1=C(OC(C1=O)C)C)I ee2236aa5d9b9f2cd0ea4083f5071e98 [0,0,0,0,0,2|1,0,0]=3 159 B14R1.15887 CC(=O)CCOC1=C(C(OC1=O)C)C 36e109cda8aef11bc9b9d55c5d80acc8 [0,0,0,0,0,2|2,0,0]=4 160 B14R1.15887 CC(=O)CCOC1=C(OC(C1=O)C)C ef2f6ac91dbcb0e26098200708c76fc3 [0,0,0,0,0,2|0,0,0]=2 161 B14R1.15887 CC(=O)OCOC1=C(C(OC1=O)C)C 901b7b847c686ddc9fa0147447369a64 [0,0,0,0,0,2|2,0,0]=4 162 B14R1.15887 CC(=O)OCOC1=C(OC(C1=O)C)C 7f82bce0c1fa9c2545f0bae5745b126e [0,0,0,0,0,2|0,0,0]=2 163 B14R1.15887 CC1=C(C(=O)C(O1)C)OC/C=C(/C)\I f184763eba91b02eddc2c940b67bfc90 [0,0,0,0,0,2|1,0,0]=3 164 B14R1.15887 CC1=C(C(=O)C(O1)C)OC/C=C(\C)/Cl 3aa74337c0fb92a933658e8d548ec3e9 [0,0,0,0,0,2|1,0,0]=3 165 B14R1.15887 CC1=C(C(=O)C(O1)C)OCC=C(Cl)Cl e1267f4f4f7c005e9f7f3244a014d13b [0,0,0,0,0,2|2,0,0]=4 166 B14R1.15887 CC1=C(C(=O)C(O1)C)OCCC(=O)N 1e0f7cc83e8fc8140406318b4e95b696 [0,0,0,0,0,2|1,0,0]=3 167 B14R1.15887 CC1=C(C(=O)C(O1)C)OCCC(C)C da77f82ac86924edb8bc6b3784960ddf [0,0,0,0,0,2|1,0,1]=4 168 B14R1.15887 CC1=C(C(=O)C(O1)C)OCCN(C)C 97ae85db2b90a5e902e2e7eadb4ab183 [0,0,0,0,0,2|2,0,0]=4 169 B14R1.15887 CC1=C(C(=O)C(O1)C)OCCS(=O)C 188644eccc781f64532864c9422dbd28 [0,0,0,0,0,2|1,0,0]=3 170 B14R1.15887 CC1=C(C(=O)C(O1)C)OCOC(C)C f7aa1879ff1238798ffc371d87773781 [0,0,0,0,0,2|1,0,1]=4 171 B14R1.15887 CC1=C(C(=O)C(O1)C)OCSC(=O)N 60e682712dd826ceb8871211e01aae0c [0,0,0,0,0,2|1,0,0]=3