0 B7R0.6 C=C(Br)CNC(C)C c11e07a13ecc707bc58321e025560b63 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.6 C=C(Br)COC(C)C 85740d76b7c2437207f473c522fb5652 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 C=C(C)CNC(=O)C ba52d227895d114ee452b8b037813db9 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.6 C=C(C)CNC(C)C a1a7325d3d8a8203023e8236e36cdc1a [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 C=C(C)COC(C)C 1163708fe8e5f25f773925b58859ae9a [0,0,0,0,0,0|3,0,0]=3 5 B7R0.6 C=C(Cl)COC(C)C 83e9098a63a39f58f2f10cb0166f135d [0,0,0,0,0,0|3,0,0]=3 6 B7R0.6 C=C(I)COC(C)C 638d63b8c7c0ebdc1a903379afb5a44c [0,0,0,0,0,0|3,0,0]=3 7 B7R0.6 CC(=O)CNC(=O)C 982808bac236d2eb3e7a5c9783b91d18 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.6 CC(=O)NCC(=O)N 92f9d7b7dd1ea6db16db7dd9d0e64155 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.6 CC(=O)NCC(F)F 959be05a9a4844ba21e7e7426b42132e [0,0,0,0,0,0|4,0,0]=4 14 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,0,0,0,0,0|3,0,0]=3 15 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.6 CC(C)CNC(C)C 196a13ba094adf361c17685c0872f24d [0,0,0,0,0,0|3,0,1]=4 17 B7R0.6 CC(C)COC(C)C 77eecc331fd01778c375925278ff8a8b [0,0,0,0,0,0|3,0,1]=4 18 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [0,0,0,0,0,0|2,0,0]=2 19 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [0,0,0,0,0,0|1,0,0]=1 20 B7R0.6 CC(C)NCC(F)F e16f4a2920b36a22dd7fc9f2f8c67c3b [0,0,0,0,0,0|3,0,1]=4 21 B7R0.6 CC(C)NC[C@@H](C)O 78cb9f10bba40f82bff406bb1347d28d [0,0,0,0,0,0|2,0,1]=3 22 B7R0.6 CC(C)NC[C@H](C)O 0239ae5afc06334e0336f0743f1e175c [0,0,0,0,0,0|2,0,1]=3 23 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [0,0,0,0,0,0|1,0,0]=1 25 B7R0.6 CC(C)OCC(=S)N 1cbdee4d5c3385daad7ba959afed69ee [0,0,0,0,0,0|2,1,0]=3 26 B7R0.6 CC(C)OCC(F)F 3a22706a89b0937c0849011a08e51b94 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.6 CC(C)OCN(C)C 10d50f079b7aea6fe97d70fc778c501b [0,0,0,0,0,0|4,0,0]=4 28 B7R0.6 CC(C)OCS(=O)O dcec0ddacfe27b8d3be4af6ba949ffc8 [0,0,0,0,0,0|2,0,0]=2 29 B7R0.6 CC(C)OC[C@@H](C)F 20a173ffcc76fe6afc30e0651bd85f9b [0,0,0,0,0,0|3,0,1]=4 30 B7R0.6 CC(C)OC[C@H](C)F 68e099b1d0df355662b96af0ef440aac [0,0,0,0,0,0|3,0,1]=4 31 B7R0.6 CC(C)OC[N+](=O)[O-] a09a83c915051312c8a631b9d400a750 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.6 CC(F)COC(C)C 0baa8e540b95c92b06f0417877dbd740 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.6 CC(O)CNC(C)C 67ac451099c111ca9b4a88e10960d432 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.6 CC(S)COC(C)C 57c18a958d625f63860f9eb7db36a7e5 [0,0,0,0,0,0|2,1,1]=4 35 B6R0.4 C#CCNC(C)C cd1408fc1dae47155e40a1bc6beb1606 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.4 C#CCOC(C)C f06fe85c789040b5be09600decc77ea1 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [1,0,0,0,0,0|1,0,2]=4 40 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,0,0,0,0,0|3,0,0]=4 41 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [1,0,0,0,0,0|3,0,0]=4 44 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.4 C=CCOC(C)C 041109637968f56803a7bcb6b6bd0ab7 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,0,0,0,0,0|3,0,0]=4 49 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [1,0,0,0,0,0|3,0,0]=4 52 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [1,0,0,0,0,0|3,0,0]=4 53 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,0,0,0,0,0|3,0,0]=4 54 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.4 CC(C)CNC#N 4669aa11e322ca513b1e9ea16868c159 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [1,0,0,0,0,0|1,0,0]=2 57 B6R0.4 CC(C)CNCF 8978b44d87fa42438515590def89eb79 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.4 CC(C)CNCO c3b5fde83cdd81c2f0ea167064fd2c5c [1,0,0,0,0,0|1,0,1]=3 59 B6R0.4 CC(C)COCF b089fa536e65fca20df885ea5dacd9f2 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.4 CC(C)NCC#N 8d9c5f2bbdfd2e60c34ddc5972663be0 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.4 CC(C)NCCBr a3900e505497b08f4c9baca17b4fa185 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.4 CC(C)NCCF 3152aefd56bd5a8bc9f6ac7f33a6fcdb [1,0,0,0,0,0|2,0,1]=4 63 B6R0.4 CC(C)NCCI 61300b723cb63b92262a59e1c054336d [1,0,0,0,0,0|2,0,1]=4 64 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [1,0,0,0,0,0|1,0,1]=3 65 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [1,0,0,0,0,0|1,1,1]=4 66 B6R0.4 CC(C)OCC#N 1be7e1885bd3670d21ecc2d4422857b0 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [1,0,0,0,0,0|1,0,0]=2 68 B6R0.4 CC(C)OCCF 102209588400e8045c1b7317560b3baf [1,0,0,0,0,0|2,0,1]=4 69 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [1,0,0,0,0,0|1,1,1]=4 70 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [1,0,0,0,0,0|2,0,1]=4 72 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,0,0,0,0,0|1,0,0]=2 78 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [1,0,0,0,0,0|2,0,1]=4 79 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,0,0,0,0,0|2,0,0]=3 83 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,0,0,0,0,0|2,0,0]=3 84 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,0,0,0,0,0|1,0,0]=2 85 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [1,0,0,0,0,0|2,1,0]=4 86 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [1,0,0,0,0,0|2,0,1]=4 87 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [1,0,0,0,0,0|3,0,0]=4 89 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [1,0,0,0,0,0|3,0,0]=4 90 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [1,0,0,0,0,0|2,0,0]=3 91 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [1,0,0,0,0,0|2,0,1]=4 92 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [1,0,0,0,0,0|2,0,0]=3 93 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [1,0,0,0,0,0|2,0,1]=4 94 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [1,0,0,0,0,0|3,0,0]=4 96 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [1,0,0,0,0,0|3,0,0]=4 97 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [1,0,0,0,0,0|3,0,0]=4 98 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [1,0,0,0,0,0|2,0,0]=3 99 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [1,0,0,0,0,0|2,0,0]=3 100 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [1,0,0,0,0,0|2,0,0]=3 101 B6R0.4 O=CNCC(F)F b205fb0d823ccdf5423d257101ba187a [1,0,0,0,0,0|3,0,0]=4 102 B6R0.4 O=S(O)COCF bc49b5a9355facf362625f551c5693d0 [1,0,0,0,0,0|3,0,0]=4 103 B8R0.9 C#CC(=O)NCC(C)C 1b59405d1466ebf3ed688b4fa128ca83 [0,1,0,0,0,0|2,0,0]=3 104 B8R0.9 C#CC(=O)NCC(C)O d06b1fbbe3bccdb17bbcfe3d455fa3bd [0,1,0,0,0,0|3,0,0]=4 105 B8R0.9 C#CC(=O)NC[C@@H](C)O 10b3294b5638bea9282cda41b0b922a3 [0,1,0,0,0,0|3,0,0]=4 106 B8R0.9 C#CC(=O)NC[C@H](C)O 8c9f626c9458795b5c2c126773a4669e [0,1,0,0,0,0|3,0,0]=4 107 B8R0.9 C#CC(C)NCC(=O)C 2ad4abc709ed22d0c1fc1e2c701880d0 [0,1,0,0,0,0|2,0,1]=4 108 B8R0.9 C#CC(C)NCC(=O)N 32d3ca8a304fcc6b77ac118eb613c4d0 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.9 C#CC(C)NCC(=O)O 6d3e097d7e417cba1ca3cc5354bf3682 [0,1,0,0,0,0|1,0,1]=3 110 B8R0.9 C#CC(C)OCC(=O)C 882d251e5156962e635e367fb9e2389a [0,1,0,0,0,0|2,0,1]=4 111 B8R0.9 C#CC(C)OCC(=O)N 6651eb1a1e92c823417176ec5e477313 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.9 C#CC(C)OCC(=O)O 86945981ae8eaaa778f83ec3ae4ff391 [0,1,0,0,0,0|1,0,1]=3 113 B8R0.9 C#CC(C)OCS(=O)O d1e6a1bc456adb5be98946540c51cc60 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.9 C#C[C@@H](C)NCC(=O)N ae23c8b7683fb792d58192169f61f02d [0,1,0,0,0,0|2,0,1]=4 115 B8R0.9 C#C[C@@H](C)NCC(=O)O 870b1440fbecf6ad620d6ff4e4eac50b [0,1,0,0,0,0|1,0,1]=3 116 B8R0.9 C#C[C@@H](C)OCC(=O)N c25236b627e20c497b67314d1c7aadee [0,1,0,0,0,0|2,0,1]=4 117 B8R0.9 C#C[C@@H](C)OCC(=O)O 9bbfddfb8eea4f6aea8d08313b189ed8 [0,1,0,0,0,0|1,0,1]=3 118 B8R0.9 C#C[C@H](C)NCC(=O)N 79963d7d1eb88702311e6f8108ddfc3d [0,1,0,0,0,0|2,0,1]=4 119 B8R0.9 C#C[C@H](C)NCC(=O)O 3c98bce4a0db3f45a27121a2c37598a6 [0,1,0,0,0,0|1,0,1]=3 120 B8R0.9 C#C[C@H](C)OCC(=O)N d36d678d56ba5311696ce65072d8c107 [0,1,0,0,0,0|2,0,1]=4 121 B8R0.9 C#C[C@H](C)OCC(=O)O 33b89dc76124892fb33f6382d6c567d7 [0,1,0,0,0,0|1,0,1]=3 122 B8R0.9 C/C(=C\I)/COC(C)C f716be383319fbdddc5fe6a0c6ba24d8 [0,1,0,0,0,0|3,0,0]=4 123 B8R0.9 C=C(Br)CNC(C)CC e82847dcad9ed2bd533fd2563c3b519d [0,1,0,0,0,0|3,0,0]=4 124 B8R0.9 C=C(Br)CNC(C)CO a9395843621306550785050d7c834975 [0,1,0,0,0,0|3,0,0]=4 125 B8R0.9 C=C(Br)CN[C@@H](C)CC 37f7a7e42f3e467987064f3f419e144d [0,1,0,0,0,0|3,0,0]=4 126 B8R0.9 C=C(Br)CN[C@@H](C)CO a9a538986d98a9e55f3f998c54cc247b [0,1,0,0,0,0|3,0,0]=4 127 B8R0.9 C=C(Br)CN[C@H](C)CC 1b5c6508d8f52572aaaac189914383ff [0,1,0,0,0,0|3,0,0]=4 128 B8R0.9 C=C(Br)CN[C@H](C)CO 7d1e722c71de1993138febf0f8977869 [0,1,0,0,0,0|3,0,0]=4 129 B8R0.9 C=C(Br)COC(C)CC 49feeff7986d6ae4fb296a8afe6d8ffc [0,1,0,0,0,0|3,0,0]=4 130 B8R0.9 C=C(Br)COC(C)CF 76719ac36e465c1f9f038a14b92bba73 [0,1,0,0,0,0|3,0,0]=4 131 B8R0.9 C=C(Br)COC(C)CS c64954e10279732b62f99e9cef7fc533 [0,1,0,0,0,0|3,0,0]=4 132 B8R0.9 C=C(Br)CO[C@@H](C)CC 868ef2581d68bb1b094a2fa1f8b58132 [0,1,0,0,0,0|3,0,0]=4 133 B8R0.9 C=C(Br)CO[C@H](C)CC 896e023f3f172d1a0521ca41c722cbcb [0,1,0,0,0,0|3,0,0]=4 134 B8R0.9 C=C(Br)CO[C@H](C)CS aa3dd9d11093d11d56d549f38593c281 [0,1,0,0,0,0|3,0,0]=4 135 B8R0.9 C=C(C#N)COC(C)C b53cc7b1d89c4d427c964004781725e0 [0,1,0,0,0,0|3,0,0]=4 136 B8R0.9 C=C(C)CCN(C)CC 975bc598c990d4455049b666e0eec143 [0,1,0,0,0,0|3,0,0]=4 137 B8R0.9 C=C(C)CNC(=O)CO ea98526bca8d7363ad41fae75f4ac9a5 [0,1,0,0,0,0|1,0,2]=4 138 B8R0.9 C=C(C)CNC(C)CC 256f62cec490bafed043741999c25df4 [0,1,0,0,0,0|3,0,0]=4 139 B8R0.9 C=C(C)CNC(C)CO 5159a8bb82cabf2648e9cdde51d9f87d [0,1,0,0,0,0|3,0,0]=4 140 B8R0.9 C=C(C)CN[C@@H](C)CC d26c3d64a9f189169a5866d4e2b497b9 [0,1,0,0,0,0|3,0,0]=4 141 B8R0.9 C=C(C)CN[C@@H](C)CO f4d1778cd45c27cf148f0822304507c8 [0,1,0,0,0,0|3,0,0]=4 142 B8R0.9 C=C(C)CN[C@H](C)CC 63a0b508416fa3ab231e5f743622aa6e [0,1,0,0,0,0|3,0,0]=4 143 B8R0.9 C=C(C)CN[C@H](C)CO f1c10bccf9821522bb3892f2794d0864 [0,1,0,0,0,0|3,0,0]=4 144 B8R0.9 C=C(C)COC(C)CC 4482bd721211f848f89897698cdef93d [0,1,0,0,0,0|3,0,0]=4 145 B8R0.9 C=C(C)COC(C)CF ba015a797381b5c516846336cd7396a7 [0,1,0,0,0,0|3,0,0]=4 146 B8R0.9 C=C(C)COC(C)CS b01434085727d0e876ca2f7f806d8f57 [0,1,0,0,0,0|3,0,0]=4 147 B8R0.9 C=C(C)CO[C@@H](C)CC 1f8fa1d6bc957d679b02c8c39dd68048 [0,1,0,0,0,0|3,0,0]=4 148 B8R0.9 C=C(C)CO[C@H](C)CC 4903f87f8690f044163b36d5c736143f [0,1,0,0,0,0|3,0,0]=4 149 B8R0.9 C=C(C)CO[C@H](C)CS ddea732e335cb41581925717666dd076 [0,1,0,0,0,0|3,0,0]=4 150 B8R0.9 C=C(C=O)OCC(C)C c5cdf695798fe36105735778dae3c7a0 [0,1,0,0,0,0|2,0,0]=3 151 B8R0.9 C=C(C=O)OCN(C)C 8f1b31b2204f757194c668fd22936588 [0,1,0,0,0,0|3,0,0]=4 152 B8R0.9 C=C(CC)COC(C)C 158b3c8f8440057d90f95fd6ad44dfdf [0,1,0,0,0,0|3,0,0]=4 153 B8R0.9 C=C(COC(C)C)OC 96f850636a0fcded9cc7f40aac2f05a4 [0,1,0,0,0,0|2,0,0]=3 154 B8R0.9 C=C(Cl)CNC(C)CC 076dd5595da9764c1f8638621b66326f [0,1,0,0,0,0|3,0,0]=4 155 B8R0.9 C=C(Cl)CNC(C)CO 2dc80d01902a7d5e8dafab7a9437a51b [0,1,0,0,0,0|3,0,0]=4 156 B8R0.9 C=C(Cl)CN[C@@H](C)CC 6844b9915d30cf390d84dd923074ff78 [0,1,0,0,0,0|3,0,0]=4 157 B8R0.9 C=C(Cl)CN[C@@H](C)CO f36a795b66d6bf78b67e64f966438328 [0,1,0,0,0,0|3,0,0]=4 158 B8R0.9 C=C(Cl)CN[C@H](C)CC 00f99e20e2c66def762893e8ac89e470 [0,1,0,0,0,0|3,0,0]=4 159 B8R0.9 C=C(Cl)CN[C@H](C)CO f8ab1a19cf270f4d27a5391240b16b7f [0,1,0,0,0,0|3,0,0]=4 160 B8R0.9 C=C(Cl)COC(C)CC 683db6dee4558a7fd0cf1ddd08de7466 [0,1,0,0,0,0|3,0,0]=4 161 B8R0.9 C=C(Cl)COC(C)CF 28ee613950c3e99b06c6d0c2267d0156 [0,1,0,0,0,0|3,0,0]=4 162 B8R0.9 C=C(Cl)COC(C)CS b1c25e35a49465adaafb251b6dea29ee [0,1,0,0,0,0|3,0,0]=4 163 B8R0.9 C=C(Cl)CO[C@@H](C)CC f1b2ffe2d8a3606ba8db6452fbde499c [0,1,0,0,0,0|3,0,0]=4 164 B8R0.9 C=C(Cl)CO[C@H](C)CC e33ef1408b617f755d53e1b85c1dd1a5 [0,1,0,0,0,0|3,0,0]=4 165 B8R0.9 C=C(Cl)CO[C@H](C)CS 07912e4cc4f9809896d80327b9629e45 [0,1,0,0,0,0|3,0,0]=4 166 B8R0.9 C=C(F)CNC(C)CO 526836e1f2860b0f9f9375a2daf92e9c [0,1,0,0,0,0|3,0,0]=4 167 B8R0.9 C=C(F)CN[C@@H](C)CO 6fc2183cd10b292910560f06e58fef39 [0,1,0,0,0,0|3,0,0]=4 168 B8R0.9 C=C(F)CN[C@H](C)CO 6f97a60c010f3bc80a761604a71ba20d [0,1,0,0,0,0|3,0,0]=4 169 B8R0.9 C=C(I)COC(C)CC 1c02165e4082ec06ba2c7744789ae92c [0,1,0,0,0,0|3,0,0]=4 170 B8R0.9 C=CC(=O)NCC(C)C 9fff6936d747446fa6c6ac1bd8338bdd [0,1,0,0,0,0|2,0,0]=3 171 B8R0.9 C=CC(=O)NCC(C)O fa01455d59425b08f532ebd991dbb1af [0,1,0,0,0,0|3,0,0]=4 172 B8R0.9 C=CC(=O)NC[C@@H](C)O 60f11a39a2f100903af1f56f3c922ad0 [0,1,0,0,0,0|3,0,0]=4 173 B8R0.9 C=CC(=O)NC[C@H](C)O c21baab8154cbdc7ba440bfa062d6fdc [0,1,0,0,0,0|3,0,0]=4 174 B8R0.9 C=CC(C)NCC(=O)C b2014bf11d5705e4d318fa019758c231 [0,1,0,0,0,0|2,0,1]=4 175 B8R0.9 C=CC(C)NCC(=O)N 8e99b62ce7b0cacfac123da3e0d44453 [0,1,0,0,0,0|2,0,1]=4 176 B8R0.9 C=CC(C)NCC(=O)O 7295ae78f031d02442986d01915b1589 [0,1,0,0,0,0|1,0,1]=3 177 B8R0.9 C=CC(C)OCC(=O)C 9ad41a13855017a691d90b159b9e2ebc [0,1,0,0,0,0|2,0,1]=4 178 B8R0.9 C=CC(C)OCC(=O)N 0d06a7ddf76614144a3227f608d154b8 [0,1,0,0,0,0|2,0,1]=4 179 B8R0.9 C=CC(C)OCC(=O)O a247bec38dd53f48038da06d8390c9f2 [0,1,0,0,0,0|1,0,1]=3 180 B8R0.9 C=CC(C)OCS(=O)O 12c96805dce8caf3e1fcf3a0ad025e66 [0,1,0,0,0,0|2,0,1]=4 181 B8R0.9 C=CC(O)CNC(C)C 254002c1439ccf47813784fa50338918 [0,1,0,0,0,0|2,0,1]=4 182 B8R0.9 C=C[C@H](C)OCC(=O)N ba49805e8ed0d5d0e00a52526e184ffd [0,1,0,0,0,0|2,0,1]=4 183 B8R0.9 C=C[C@H](C)OCC(=O)O 11d6db631afaf24abf76538c811f1efa [0,1,0,0,0,0|1,0,1]=3 184 B8R0.9 CC(=CI)COC(C)C 3ff8a12ae361c0854728a2bce17c2863 [0,1,0,0,0,0|3,0,0]=4 185 B8R0.9 CC(=O)CNC(=O)CO d375a24b35361625580ca34c6266f702 [0,1,0,0,0,0|2,0,1]=4 186 B8R0.9 CC(=O)CNC(C)C=O 5305abebdd5439cbe27a612adc8c23ab [0,1,0,0,0,0|2,0,1]=4 187 B8R0.9 CC(=O)CNC(C)CO 7f456ce2665c50a288606a55fcadb654 [0,1,0,0,0,0|2,0,0]=3 188 B8R0.9 CC(=O)CN[C@@H](C)CO 3490504cc82c16f891707783a3f5d03b [0,1,0,0,0,0|2,0,0]=3 189 B8R0.9 CC(=O)CN[C@H](C)C=O aeb82f57e8a877f800a721396ffa0f59 [0,1,0,0,0,0|2,0,1]=4 190 B8R0.9 CC(=O)CN[C@H](C)CO b856683376ccfcef5ca680b8cb827c55 [0,1,0,0,0,0|2,0,0]=3 191 B8R0.9 CC(=O)COC(C)C=O b91d02ad7a67994d76fa088d267acff2 [0,1,0,0,0,0|2,0,1]=4 192 B8R0.9 CC(=O)CO[C@H](C)C=O 6df7154fde8ca8fb45e199e7b6ad0f88 [0,1,0,0,0,0|2,0,1]=4 193 B8R0.9 CC(=O)NCC(=O)NO 859b03f5192e57ca509f1bfda110b8fd [0,1,0,0,0,0|2,0,1]=4 194 B8R0.9 CC(=O)NCC(Br)CBr 026233203db163de359d5c31f32507c5 [0,1,0,0,0,0|3,0,0]=4 195 B8R0.9 CC(=O)NCC(C)C#N 70b6e41d7a36e25b863c12e3e2ab9f7c [0,1,0,0,0,0|2,0,1]=4 196 B8R0.9 CC(=O)NCC(C)CO 5107eece73873b4763584dc1449ad61c [0,1,0,0,0,0|2,0,0]=3 197 B8R0.9 CC(=O)NCC(F)CO b8843bcee854bfdd401231e90b011422 [0,1,0,0,0,0|3,0,0]=4 198 B8R0.9 CC(=O)NCC(O)CO a7a306466b1599337a98d4a78b5d781e [0,1,0,0,0,0|3,0,0]=4 199 B8R0.9 CC(=O)NC[C@@H](F)CO 964c0a882da1253a8b823c85e90b43d9 [0,1,0,0,0,0|3,0,0]=4 200 B8R0.9 CC(=O)NC[C@@H](O)CO a8483dbc09c1c7f138b3ed243987530b [0,1,0,0,0,0|3,0,0]=4 201 B8R0.9 CC(=O)NC[C@H](C)CO 5409bde0c2b60b9f7b568586e701b259 [0,1,0,0,0,0|2,0,0]=3 202 B8R0.9 CC(=O)NC[C@H](F)CO 938a8d1e230afccbf699e7334f08d345 [0,1,0,0,0,0|3,0,0]=4 203 B8R0.9 CC(=O)NC[C@H](O)CO 4c725599a6cf504375db5135be307edf [0,1,0,0,0,0|3,0,0]=4 204 B8R0.9 CC(C#N)NCC(=O)N d29bd277beb2ae89e361147ba0b29db1 [0,1,0,0,0,0|2,0,1]=4 205 B8R0.9 CC(C#N)NCC(=O)O b4dc74a9f9a0e75fffde2f481c0af544 [0,1,0,0,0,0|1,0,1]=3 206 B8R0.9 CC(C#N)OCS(=O)O 406c753176235576bb71e11c0904b6bc [0,1,0,0,0,0|2,0,1]=4 207 B8R0.9 CC(C)CCN(C)C=O 516a2a022cb88171d447755eeb173861 [0,1,0,0,0,0|2,0,0]=3 208 B8R0.9 CC(C)CCN(C)CF 023d69732b99cc548ce8da7b89f2aa2a [0,1,0,0,0,0|3,0,0]=4 209 B8R0.9 CC(C)CCN(C)CO f141a62767fa31ad71a19f797e7ee8f2 [0,1,0,0,0,0|2,0,0]=3 210 B8R0.9 CC(C)CNC(=O)C=O b40cc57029845c8997b7aa8efc245b60 [0,1,0,0,0,0|1,0,1]=3 211 B8R0.9 CC(C)CNC(=O)CF 9eb01591588fc3f21824d07c6994c4ce [0,1,0,0,0,0|2,0,0]=3 212 B8R0.9 CC(C)CNC(=O)CO 748dd4a1556e9d036080c13c38338fdb [0,1,0,0,0,0|1,0,0]=2 213 B8R0.9 CC(C)CNC(=O)CS 24a37322ef0bc9a4c645dfd16fd4ed0f [0,1,0,0,0,0|1,1,0]=3 214 B8R0.9 CC(C)CNC(C)C=O 03449348422393b4e0bdd254036a8d58 [0,1,0,0,0,0|2,0,1]=4 215 B8R0.9 CC(C)CNC(C)CO aeb39a69125a8116b2d666aabffee368 [0,1,0,0,0,0|2,0,1]=4 216 B8R0.9 CC(C)CN[C@@H](C)CO a48e86d82c35fbf8dc46c7829eb1eaf7 [0,1,0,0,0,0|2,0,1]=4 217 B8R0.9 CC(C)CN[C@H](C)C=O 7c782c131d4d366690f182c8ead9a413 [0,1,0,0,0,0|2,0,1]=4 218 B8R0.9 CC(C)CN[C@H](C)CO de58f1f480131f7b21c40f2c3fccea42 [0,1,0,0,0,0|2,0,1]=4 219 B8R0.9 CC(C)COC(C)C=O 0b8c6cf115c2322fa1674f79e1d3c4dd [0,1,0,0,0,0|2,0,1]=4 220 B8R0.9 CC(C)CO[C@H](C)C=O 5c45a366049badd5e36b154ae522c338 [0,1,0,0,0,0|2,0,1]=4 221 B8R0.9 CC(C)NCC(=O)NO d714842a0c42249cabffc4dfd5ab50bd [0,1,0,0,0,0|1,0,0]=2 222 B8R0.9 CC(C)NCC(F)CO 57945639b2aa5eadc3925f215efa7d75 [0,1,0,0,0,0|2,0,1]=4 223 B8R0.9 CC(C)NCC(O)CO c4c4b95ef9e7e99b58507370307de3cd [0,1,0,0,0,0|1,0,2]=4 224 B8R0.9 CC(C)NC[C@@H](F)CO f5fc97f4a19a821fbb0f5991a2377115 [0,1,0,0,0,0|2,0,1]=4 225 B8R0.9 CC(C)NC[C@@H](O)CO 4ed7ffd88ee5a4ec2e5ace2cbcdac84e [0,1,0,0,0,0|1,0,2]=4 226 B8R0.9 CC(C)NC[C@H](C)CO e9adf2a77c54dea0e47e774e7144a50c [0,1,0,0,0,0|2,0,1]=4 227 B8R0.9 CC(C)NC[C@H](F)CO 80e5cd77bb3f635b441bec4926980c30 [0,1,0,0,0,0|2,0,1]=4 228 B8R0.9 CC(C)NC[C@H](O)CO a6cbe2fe699ae5eae98d67fbc9aac7de [0,1,0,0,0,0|1,0,2]=4 229 B8R0.9 CC(C)OC/C(=C/Cl)/Cl 517384b2245fa09e14e9ca494cc154a8 [0,1,0,0,0,0|3,0,0]=4 230 B8R0.9 CC(C)OCC(O)CO 0e89e061c2e4cf11ff7262059210fdde [0,1,0,0,0,0|1,0,2]=4 231 B8R0.9 CC(C)OC[C@@H](O)CO 3849c2737d80ec90a6ea6c8da3ef06fb [0,1,0,0,0,0|1,0,2]=4 232 B8R0.9 CC(C)OC[C@H](O)CO 24bdf2b3dd73700f7d482e7b53b23924 [0,1,0,0,0,0|1,0,2]=4 233 B8R0.9 CC(C=O)NCC(=O)N 8e22627cfffb50e4ce2f26bd34026793 [0,1,0,0,0,0|2,0,1]=4 234 B8R0.9 CC(C=O)NCC(=O)O 002ce333b4dccb41c4d993d9c09ef2b3 [0,1,0,0,0,0|1,0,1]=3 235 B8R0.9 CC(C=O)OCC(=O)N e8fdf3bf6f6dfcc63a5ed65bb70bb389 [0,1,0,0,0,0|2,0,1]=4 236 B8R0.9 CC(C=O)OCC(=O)O 564a75409a0d42515a0d6296982e94e6 [0,1,0,0,0,0|1,0,1]=3 237 B8R0.9 CC(C=O)OCS(=O)O 9f51c4b3c988e5d0280d7682a1bfd66e [0,1,0,0,0,0|2,0,1]=4 238 B8R0.9 CC(CF)OCC(=O)N 85ec4187286fdad5a9553ca5e7cee35f [0,1,0,0,0,0|2,0,0]=3 239 B8R0.9 CC(CF)OCC(=O)O 72064f294e73f6a982bc7e430390395e [0,1,0,0,0,0|1,0,0]=2 240 B8R0.9 CC(CF)OC[N+](=O)[O-] 4a6af2c1f13b65251d8b949275a6b1de [0,1,0,0,0,0|2,0,1]=4 241 B8R0.9 CC(CO)CNC(C)C 8a23f9be65dcc9a39c28dfdb6031b0d4 [0,1,0,0,0,0|2,0,1]=4 242 B8R0.9 CC(CO)NCC(=O)N ca275a4ad15d32e500ba974468999137 [0,1,0,0,0,0|2,0,0]=3 243 B8R0.9 CC(CO)NCC(=O)O 3fa1442f69c9dfa3ad5830b54dce922d [0,1,0,0,0,0|1,0,0]=2 244 B8R0.9 CC(CO)NC[C@@H](C)O b3b457ca8971b770f5960d70ecaa3b4d [0,1,0,0,0,0|2,0,1]=4 245 B8R0.9 CC(CO)NC[C@H](C)O 4b77979cdca58e53e46d0a0730b80eb6 [0,1,0,0,0,0|2,0,1]=4 246 B8R0.9 CC(CO)NC[N+](=O)[O-] c8cef2932297a128bb58d0293856a208 [0,1,0,0,0,0|2,0,1]=4 247 B8R0.9 CC(CS)OCC(=O)N b11e299a771877421c46b123080a3ea9 [0,1,0,0,0,0|2,0,0]=3 248 B8R0.9 CC(CS)OCC(=O)O 6f586a0cfc007fa60414bad735acd25c [0,1,0,0,0,0|1,0,0]=2 249 B8R0.9 CC(CS)OC[N+](=O)[O-] 11c3904c8647864dccf53d192e938581 [0,1,0,0,0,0|2,0,1]=4 250 B8R0.9 CC(O)CCN(C)C=O 32af2d18851b8de7c2fbf9dc298410b8 [0,1,0,0,0,0|3,0,0]=4 251 B8R0.9 CC(O)CCN(C)CF 68fa6bb7122f2e5752156115d530c26b [0,1,0,0,0,0|2,0,1]=4 252 B8R0.9 CC(O)CCN(C)CO 7a6421ea4c5ed918115902892e0fc97b [0,1,0,0,0,0|2,0,1]=4 253 B8R0.9 CC(O)CNC(=O)C=O a19c80ebbd3c5b0340f36c5c68b9e508 [0,1,0,0,0,0|2,0,1]=4 254 B8R0.9 CC(O)CNC(=O)CF d59c5e79c77aa7d822e3ecb11dcaef82 [0,1,0,0,0,0|3,0,0]=4 255 B8R0.9 CC(O)CNC(=O)CO 9be864f31d0f9194e8eb36240c465097 [0,1,0,0,0,0|2,0,0]=3 256 B8R0.9 CC(O)CNC(=O)CS dbff926c910e39aef95fc4a90e7f24a8 [0,1,0,0,0,0|2,1,0]=4 257 B8R0.9 CC(O)CNC(C)CO a1b9fd4e4c8e5407d8f4c38ea7432000 [0,1,0,0,0,0|2,0,1]=4 258 B8R0.9 CC(O)CN[C@@H](C)CO fa8ddd2915181b209ca8cd0f4cac931d [0,1,0,0,0,0|2,0,1]=4 259 B8R0.9 CC(O)CN[C@H](C)CO 0a4874882b4a2730c218e76ea399d233 [0,1,0,0,0,0|2,0,1]=4 260 B8R0.9 CCC(=O)COC(C)C 5c8d297b0416149f24332452b8f0f1e3 [0,1,0,0,0,0|2,0,0]=3 261 B8R0.9 CCC(=O)NCC(C)C 80d4e4c057e6f7b9eae8a2bfacaea014 [0,1,0,0,0,0|2,0,0]=3 262 B8R0.9 CCC(=O)NCC(C)O a0cefa62fd20423cdc1bf66278a42129 [0,1,0,0,0,0|3,0,0]=4 263 B8R0.9 CCC(=O)NC[C@@H](C)O a391cc3778995f10350211a29d249a09 [0,1,0,0,0,0|3,0,0]=4 264 B8R0.9 CCC(=O)NC[C@H](C)O 700448fc71267e87914b635955ddeec8 [0,1,0,0,0,0|3,0,0]=4 265 B8R0.9 CCC(C)CNC(=O)C aa3f1455f544ac3656d43724f45ee4b6 [0,1,0,0,0,0|2,0,0]=3 266 B8R0.9 CCC(C)NCC(=O)C 6436401da3e43365ad6648f7d16996be [0,1,0,0,0,0|2,0,0]=3 267 B8R0.9 CCC(C)NCC(=O)N 000867cd72bf7abf807440f1d3bec59b [0,1,0,0,0,0|2,0,0]=3 268 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,1,0,0,0,0|1,0,0]=2 269 B8R0.9 CCC(C)NCC(C)O 04be39588a5f09c70c74f1ca60cd63ac [0,1,0,0,0,0|2,0,1]=4 270 B8R0.9 CCC(C)NC[C@@H](C)O 6e798d5c3d31a8f8773bcdb1d14bb58f [0,1,0,0,0,0|2,0,1]=4 271 B8R0.9 CCC(C)NC[C@H](C)O b6ed82170374565ef8a62802ade9580c [0,1,0,0,0,0|2,0,1]=4 272 B8R0.9 CCC(C)NC[N+](=O)[O-] e9f660b74a6c0107f128f338922566a2 [0,1,0,0,0,0|2,0,1]=4 273 B8R0.9 CCC(C)OCC(=O)C 51585707b16cf92a5a0e33fe644c9725 [0,1,0,0,0,0|2,0,0]=3 274 B8R0.9 CCC(C)OCC(=O)N 1b913184d403fb69b64ed9e9c743a425 [0,1,0,0,0,0|2,0,0]=3 275 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,1,0,0,0,0|1,0,0]=2 276 B8R0.9 CCC(C)OCC(=S)N 6b597837cee3e8ac97ffdee12a28c691 [0,1,0,0,0,0|2,1,0]=4 277 B8R0.9 CCC(C)OCS(=O)O 218f2e14527146233901e95c42e5bea0 [0,1,0,0,0,0|2,0,0]=3 278 B8R0.9 CCC(C)OC[N+](=O)[O-] ce29daa7a1531741c15d172651ff45bc [0,1,0,0,0,0|2,0,1]=4 279 B8R0.9 CCC(O)CNC(=O)C 303ca77168267846269f8e2248e6c650 [0,1,0,0,0,0|3,0,0]=4 280 B8R0.9 CCC(O)CNC(C)C 71d0e78d5d3d6ddfb7afb7fb5ab010cd [0,1,0,0,0,0|2,0,1]=4 281 B8R0.9 CCN(C)CCC(=O)C 704b8017c1fe42d466a2c16771fe60b9 [0,1,0,0,0,0|2,0,0]=3 282 B8R0.9 CCN(C)CCC(=O)N 8598f908b554962aaf272d88582a793e [0,1,0,0,0,0|2,0,0]=3 283 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [0,1,0,0,0,0|1,0,0]=2 284 B8R0.9 CCN(C)CCC(C)C cccf47d146781af2a5619f47aba63cf9 [0,1,0,0,0,0|3,0,0]=4 285 B8R0.9 CCN(C)CCC(C)O 4308bf1a991d7ca66cadc45942e7cdad [0,1,0,0,0,0|2,0,1]=4 286 B8R0.9 CCN(C)CCS(=O)C 181957332795259e7c2d453ef9f3db35 [0,1,0,0,0,0|3,0,0]=4 287 B8R0.9 CCN(C)COC(=O)C 662418b9fd851b02bfa0c21ae20e504d [0,1,0,0,0,0|3,0,0]=4 288 B8R0.9 CCN(C)CSC(=O)N adc277bb406ecaf954503ab4cdfcb5b9 [0,1,0,0,0,0|3,0,0]=4 289 B8R0.9 CC[C@@H](C)NCC(=O)N 00c2922a9a0e085fef41a6936ba22077 [0,1,0,0,0,0|2,0,0]=3 290 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,1,0,0,0,0|1,0,0]=2 291 B8R0.9 CC[C@@H](C)NCC(C)O 2677141b66bad4e2c96cd57b714806ea [0,1,0,0,0,0|2,0,1]=4 292 B8R0.9 CC[C@@H](C)NC[C@@H](C)O 259bc8325537e1de1a944df75fdf21f1 [0,1,0,0,0,0|2,0,1]=4 293 B8R0.9 CC[C@@H](C)NC[C@H](C)O 939311d357bc0680fabba2ce4e70d859 [0,1,0,0,0,0|2,0,1]=4 294 B8R0.9 CC[C@@H](C)NC[N+](=O)[O-] 196855ed8a578e4d6ce39740ba6a0275 [0,1,0,0,0,0|2,0,1]=4 295 B8R0.9 CC[C@@H](C)OCC(=O)N 177a1fefad08e7123933fff20860c103 [0,1,0,0,0,0|2,0,0]=3 296 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,1,0,0,0,0|1,0,0]=2 297 B8R0.9 CC[C@@H](C)OC[N+](=O)[O-] 3415ab0ca8c4567cbd4a2ab0de4e9f06 [0,1,0,0,0,0|2,0,1]=4 298 B8R0.9 CC[C@@H](O)CNC(=O)C 214f1ff21aca62cdd2be0dae45336745 [0,1,0,0,0,0|3,0,0]=4 299 B8R0.9 CC[C@@H](O)CNC(C)C 0b13dd23b5427cc29a52929b73be7d43 [0,1,0,0,0,0|2,0,1]=4 300 B8R0.9 CC[C@H](C)CNC(=O)C 7308e3222c110d542936eb43984d990d [0,1,0,0,0,0|2,0,0]=3 301 B8R0.9 CC[C@H](C)NCC(=O)N f4cbd027635400a1bd56158094969969 [0,1,0,0,0,0|2,0,0]=3 302 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,1,0,0,0,0|1,0,0]=2 303 B8R0.9 CC[C@H](C)NCC(C)O 99099c99fd14ec2545d713f92de4a778 [0,1,0,0,0,0|2,0,1]=4 304 B8R0.9 CC[C@H](C)NC[C@@H](C)O 12a96eae09dd452a73c94b544346a630 [0,1,0,0,0,0|2,0,1]=4 305 B8R0.9 CC[C@H](C)NC[C@H](C)O 4c33e4d27654f70efbcc25d8010eeae9 [0,1,0,0,0,0|2,0,1]=4 306 B8R0.9 CC[C@H](C)NC[N+](=O)[O-] 235d75636034ba6aeae1eb82d8162dd7 [0,1,0,0,0,0|2,0,1]=4 307 B8R0.9 CC[C@H](C)OCC(=O)N a50cd0f8b1faba93c04bb41f0f47043f [0,1,0,0,0,0|2,0,0]=3 308 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,1,0,0,0,0|1,0,0]=2 309 B8R0.9 CC[C@H](C)OC[N+](=O)[O-] 877aace2ab2b46fdfe559ad10cf92335 [0,1,0,0,0,0|2,0,1]=4 310 B8R0.9 CN(C)CCN(C)C=O b34edb31e570d3653e5ff795502442ff [0,1,0,0,0,0|3,0,0]=4 311 B8R0.9 CN(C)CCN(C)CO e75cff476fd73ad16c0517be91573d05 [0,1,0,0,0,0|3,0,0]=4 312 B8R0.9 CN(C=O)CCC(=O)N 90047bedb23fa37b5b4136a7076e845e [0,1,0,0,0,0|2,0,1]=4 313 B8R0.9 CN(CF)CCC(=O)N 6d094d2271b3869e64c635a327791e7d [0,1,0,0,0,0|2,0,0]=3 314 B8R0.9 CN(CF)CCC(=O)O 2d013e31aee2f0b22eda4a0cee146222 [0,1,0,0,0,0|1,0,0]=2 315 B8R0.9 CN(CO)CCC(=O)N e23409c848954f75cfbaa958caecdeb6 [0,1,0,0,0,0|2,0,0]=3 316 B8R0.9 CN(CO)CCC(=O)O a563a8e06bffade26f5d2de4c2323adb [0,1,0,0,0,0|1,0,0]=2 317 B8R0.9 CNC(=O)CNC(C)C 566e2c52ea2eed119c48dda13ee7cd22 [0,1,0,0,0,0|2,0,0]=3 318 B8R0.9 CNC(=O)COC(C)C ac98fb8d262335081328b24dd3b587d1 [0,1,0,0,0,0|2,0,0]=3 319 B8R0.9 COC(=O)CNC(=O)C b0f97d8003dd4b6278e13b9959e4a2e1 [0,1,0,0,0,0|2,0,1]=4 320 B8R0.9 COC(=O)CNC(C)C c3733748a55be9c482138184ed5baa45 [0,1,0,0,0,0|1,0,0]=2 321 B8R0.9 COC(=O)COC(C)C 532fce5a880346bf56d52549b85157a8 [0,1,0,0,0,0|1,0,0]=2 322 B8R0.9 COC(C)COC(C)C e0f36ed0d37cc72967fbcb31b176fbbc [0,1,0,0,0,0|2,0,1]=4 323 B8R0.9 CO[C@@H](C)CNC(=O)C 0cf2684fa855f95ea59e4d00d3adab12 [0,1,0,0,0,0|2,0,0]=3 324 B8R0.9 CO[C@@H](C)CNC(C)C eecabc1ac3a4e8ac38a6083cfc2aa6d9 [0,1,0,0,0,0|2,0,1]=4 325 B8R0.9 CO[C@@H](C)COC(C)C e5a767f401763c27f1a4b5f4477a554e [0,1,0,0,0,0|2,0,1]=4 326 B8R0.9 CO[C@H](C)CNC(=O)C 8d64b64f82d28ad11a8f0edbe07358fd [0,1,0,0,0,0|2,0,0]=3 327 B8R0.9 CO[C@H](C)CNC(C)C d8682f4f6865fec3b1570e72c54ecebc [0,1,0,0,0,0|2,0,1]=4 328 B8R0.9 CO[C@H](C)COC(C)C c1851bedfec20c17d08aaba18efdab41 [0,1,0,0,0,0|2,0,1]=4 329 B8R0.9 C[C@@H](CO)NCC(=O)N 1720c78da7cf8f54c6473f0f0ad3915f [0,1,0,0,0,0|2,0,0]=3 330 B8R0.9 C[C@@H](CO)NCC(=O)O a4ded20e76f16f8cb0ed35de8a1798b1 [0,1,0,0,0,0|1,0,0]=2 331 B8R0.9 C[C@@H](CO)NC[N+](=O)[O-] 3480edc0ee7db13a1161878bc1afe8a5 [0,1,0,0,0,0|2,0,1]=4 332 B8R0.9 C[C@@H](O)CNC(=O)C=O 2603ee2d0f069eae7661384f7ee697eb [0,1,0,0,0,0|2,0,1]=4 333 B8R0.9 C[C@@H](O)CNC(=O)CF 6a61f49e9c0d24ab6d4f46deb1461e7d [0,1,0,0,0,0|3,0,0]=4 334 B8R0.9 C[C@@H](O)CNC(=O)CO 9634e7d0b81aeff4d0ebcb0b1d05ff89 [0,1,0,0,0,0|2,0,0]=3 335 B8R0.9 C[C@@H](O)CNC(=O)CS 74f2114c184fa00cea5ec42867e295a6 [0,1,0,0,0,0|2,1,0]=4 336 B8R0.9 C[C@@H](O)CN[C@@H](C)CO 3ae1deb582924f94cf5f62861ba15598 [0,1,0,0,0,0|2,0,1]=4 337 B8R0.9 C[C@H](C=O)NCC(=O)N ef543a8173a46829d7a3deea97b641bf [0,1,0,0,0,0|2,0,1]=4 338 B8R0.9 C[C@H](C=O)NCC(=O)O da0ba3cdacb20d5b725c1d49bf4457c6 [0,1,0,0,0,0|1,0,1]=3 339 B8R0.9 C[C@H](C=O)OCC(=O)N 0891ae8d42b8c64aeeb2a884817c9c4b [0,1,0,0,0,0|2,0,1]=4 340 B8R0.9 C[C@H](C=O)OCC(=O)O 23da9f85b0c8b6dd61bf484a83ea2877 [0,1,0,0,0,0|1,0,1]=3 341 B8R0.9 C[C@H](C=O)OCS(=O)O 8401cc1464dfb196cf10debf69a3f25d [0,1,0,0,0,0|2,0,1]=4 342 B8R0.9 C[C@H](CO)NCC(=O)N 280db7eb09d450dda3894db03e34aff2 [0,1,0,0,0,0|2,0,0]=3 343 B8R0.9 C[C@H](CO)NCC(=O)O 3604c50bbfd16fc53504ebc03416b43b [0,1,0,0,0,0|1,0,0]=2 344 B8R0.9 C[C@H](CO)NC[C@@H](C)O 0c791e5e7d94d2a38d5f859dad7628f0 [0,1,0,0,0,0|2,0,1]=4 345 B8R0.9 C[C@H](CO)NC[N+](=O)[O-] 765df81bbf0a0b13e5d5d509e2eb070f [0,1,0,0,0,0|2,0,1]=4 346 B8R0.9 C[C@H](CS)OCC(=O)N 99b35c1160d6521244a3a6571fb38a94 [0,1,0,0,0,0|2,0,0]=3 347 B8R0.9 C[C@H](CS)OCC(=O)O ec11162dd59d106eaabeedeed690abec [0,1,0,0,0,0|1,0,0]=2 348 B8R0.9 C[C@H](CS)OC[N+](=O)[O-] 9944617e0e706dcd95690ed996f66ada [0,1,0,0,0,0|2,0,1]=4 349 B8R0.9 C[C@H](O)CNC(=O)C=O 93688556993d21a2fc23a4f3acf54052 [0,1,0,0,0,0|2,0,1]=4 350 B8R0.9 C[C@H](O)CNC(=O)CF de054442a5e1e940c151636e21f7cde2 [0,1,0,0,0,0|3,0,0]=4 351 B8R0.9 C[C@H](O)CNC(=O)CO a9cb6b1498a706bccaa6d180a5a461c7 [0,1,0,0,0,0|2,0,0]=3 352 B8R0.9 C[C@H](O)CNC(=O)CS a2cc47a92507f6d2ddfbe5205109d70d [0,1,0,0,0,0|2,1,0]=4 353 B8R0.9 C[C@H](O)CN[C@@H](C)CO ccedc2ee6039e5ae689a515db1821b9d [0,1,0,0,0,0|2,0,1]=4 354 B8R0.9 C[C@H](O)CN[C@H](C)CO 16e70066eda8e6ba0018098e6ed94053 [0,1,0,0,0,0|2,0,1]=4 355 B8R0.9 O=C(CO)NCC(F)F 7faddb9a1bd570be447e69247bbc7e41 [0,1,0,0,0,0|3,0,0]=4 356 B8R0.23 C=C(Br)CN(C)C(C)C 3f7e31a92c12d20ec7a273e7b73ed655 [0,1,0,0,0,0|3,0,0]=4 357 B8R0.23 C=C(C)CN(C)C(C)C 5ce3bf8335906065652aa3e2b299f4f5 [0,1,0,0,0,0|3,0,0]=4 358 B8R0.23 C=C(Cl)CN(C)C(C)C 500d730e6e828a70fc3011a810f7905a [0,1,0,0,0,0|3,0,0]=4 359 B8R0.23 CC(=O)C(C)OC(C)C 2d86abe06727762a40b9ab2fefeb12d2 [0,1,0,0,0,0|2,0,0]=3 360 B8R0.23 CC(=O)N(C)CC(C)C 89cec52088ed29050ddede06aaad4a16 [0,1,0,0,0,0|2,0,0]=3 361 B8R0.23 CC(=O)N(C)CC(C)O 4e9ef38fdc27d4895833669b87ebf855 [0,1,0,0,0,0|3,0,0]=4 362 B8R0.23 CC(=O)N(C)C[C@H](C)O 021150eee8136a4b9cf5a9a8729a45c5 [0,1,0,0,0,0|3,0,0]=4 363 B8R0.23 CC(=O)NC(C)C(C)C 44e61c71c404e93b61e4ebb2d17acd25 [0,1,0,0,0,0|2,0,0]=3 364 B8R0.23 CC(=O)NC(C)C(C)O 82d78b22fd9c1b1cb9a6f73c5b23c29f [0,1,0,0,0,0|3,0,0]=4 365 B8R0.23 CC(=O)N[C@@H](C)C(C)C 020b2d58d09d222117d5a013059e1c42 [0,1,0,0,0,0|2,0,0]=3 366 B8R0.23 CC(=O)N[C@H](C)C(C)C 1a8a59449f9523fa08b3f0d029907e07 [0,1,0,0,0,0|2,0,0]=3 367 B8R0.23 CC(C)N(C)CC(=O)N 40fedc251db3e73f4c6c403ff754fd20 [0,1,0,0,0,0|2,0,0]=3 368 B8R0.23 CC(C)N(C)CC(=O)O 402f1d7c3b958af1fceb64bdcde4405c [0,1,0,0,0,0|1,0,0]=2 369 B8R0.23 CC(C)N(C)C[C@@H](C)O edda2e38f0c2b068751a472716b6316d [0,1,0,0,0,0|2,0,1]=4 370 B8R0.23 CC(C)N(C)C[C@H](C)O 6c78ca3105da9d74005d52bf31383b62 [0,1,0,0,0,0|2,0,1]=4 371 B8R0.23 CC(C)N(C)C[N+](=O)[O-] ab389b01c728eaf6b35cdad1e0c3f6cf [0,1,0,0,0,0|2,0,1]=4 372 B8R0.23 CC(C)NC(C)C(=O)N a5bc7ca7b26f70e25af65a6a1a9f3a6a [0,1,0,0,0,0|2,0,0]=3 373 B8R0.23 CC(C)NC(C)C(=O)O 14fb43a096987787a4c4cfde0de411d4 [0,1,0,0,0,0|1,0,0]=2 374 B8R0.23 CC(C)NC(C)C(C)O 01387dcbac0883ebe4aacdad9c9a44bc [0,1,0,0,0,0|2,0,1]=4 375 B8R0.23 CC(C)NC(O)C(=O)O 9854a2bbdccc28b8651cc97fd5606c53 [0,1,0,0,0,0|1,0,0]=2 376 B8R0.23 CC(C)N[C@@H](C)C(=O)N 5f6838b5769e3be13957b346a9b1c5a9 [0,1,0,0,0,0|2,0,0]=3 377 B8R0.23 CC(C)N[C@@H](C)C(=O)O 97090174d192ee499ea4beaa2fe31161 [0,1,0,0,0,0|1,0,0]=2 378 B8R0.23 CC(C)N[C@H](C)C(=O)N 218299f571bd8ab6e55ebde7f90f3dc6 [0,1,0,0,0,0|2,0,0]=3 379 B8R0.23 CC(C)N[C@H](C)C(=O)O 1a6c2905adf438d6c173d7efe8c0cadc [0,1,0,0,0,0|1,0,0]=2 380 B8R0.23 CC(C)OC(C)C(=O)N 3cee39f49921ab19917bac674ad05970 [0,1,0,0,0,0|2,0,0]=3 381 B8R0.23 CC(C)OC(C)C(=O)O 0a58b34c739ceb5a5963c9b3548f472a [0,1,0,0,0,0|1,0,0]=2 382 B8R0.23 CC(C)OC(F)C(=O)N 4e500a655b0251a68623c9a9bac567cd [0,1,0,0,0,0|2,0,0]=3 383 B8R0.23 CC(C)O[C@@H](C)C(=O)N 57a65b88062516ea8512ca985e4b20b1 [0,1,0,0,0,0|2,0,0]=3 384 B8R0.23 CC(C)O[C@@H](C)C(=O)O 3e6aa85ab276fb2f3b41c452e067b375 [0,1,0,0,0,0|1,0,0]=2 385 B8R0.23 CC(C)O[C@H](C)C(=O)N 15e236e43a73c1d83142b60899c44aff [0,1,0,0,0,0|2,0,0]=3 386 B8R0.23 CC(C)O[C@H](C)C(=O)O 3c1a1d8dc45ffece35d6cbe571959a73 [0,1,0,0,0,0|1,0,0]=2 387 B8R0.23 CC(O)CN(C)C(C)C 95a92a6cab6529312851036d37141b0c [0,1,0,0,0,0|2,0,1]=4 388 B8R0.29 C=C(Br)CNC(C)(C)C 03c10b3b58c624a095332e2c0a28dab7 [0,1,0,0,0,0|3,0,0]=4 389 B8R0.29 C=C(C)CNC(C)(C)C b99c45fd81c788cbba88aea38bfb17b6 [0,1,0,0,0,0|3,0,0]=4 390 B8R0.29 C=C(Cl)CNC(C)(C)C 79f451f7f17b60776015f1652534006a [0,1,0,0,0,0|3,0,0]=4 391 B8R0.29 C=C(F)CNC(C)(C)C e89e00913946554fd584c510ed9b1431 [0,1,0,0,0,0|3,0,0]=4 392 B8R0.29 CC(=O)NCC(C)(C)C 9462e7ac263ac589a01977b5f7e527a7 [0,1,0,0,0,0|2,0,0]=3 393 B8R0.29 CC(=O)NCC(C)(C)O ac59c5875c8df765f15b4c858063fbc9 [0,1,0,0,0,0|2,0,0]=3 394 B8R0.29 CC(=O)NCC(C)(F)F 85b59edaed57293b7ea10c77927ba201 [0,1,0,0,0,0|3,0,0]=4 395 B8R0.29 CC(C)(C)NCC(=O)N bc7ea50a25eec83821fcbddcdcab7596 [0,1,0,0,0,0|2,0,0]=3 396 B8R0.29 CC(C)(C)NCC(=O)O 139b26a0be92451287fa1082e3371d98 [0,1,0,0,0,0|1,0,0]=2 397 B8R0.29 CC(C)(C)NC[N+](=O)[O-] 3c68d5f0f0b4ba1cc4df74dbe2c425ba [0,1,0,0,0,0|2,0,1]=4 398 B8R0.29 CC(C)NCC(C)(C)O 7a7942e84ffbedf19eb1ab4b895c6932 [0,1,0,0,0,0|2,0,1]=4 399 B8R0.29 CC(C)NCS(=O)(=O)O 8264390a638eb5c172e1c9c505e3993b [0,1,0,0,0,0|2,0,0]=3 400 B8R0.29 CC(C)OCC(C)(C)O 763475607800e74d3dd49839c449f82e [0,1,0,0,0,0|2,0,1]=4 401 B8R0.29 CC(C)OCS(=O)(=O)C ff439a519afb291693179cbb76e98ea7 [0,1,0,0,0,0|2,0,1]=4 402 B8R0.29 CC(O)CNC(C)(C)C 7b076be22d95a3dbb6fea7a2a6a579cf [0,1,0,0,0,0|2,0,1]=4 403 B8R0.29 C[C@@H](O)CNC(C)(C)C 3acb7b24b939b8a39fd8f4e2037cb442 [0,1,0,0,0,0|2,0,1]=4 404 B8R0.29 C[C@H](O)CNC(C)(C)C 21c328d304469a321a804a1dc49edcf2 [0,1,0,0,0,0|2,0,1]=4 405 B8R1.20 CC(=O)NC1CC1C 1768a28e3842ccc949f84e026e8d58f3 [0,0,0,1,0,0|2,0,0]=3 406 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F bc7a6eb1a99ce556c18fcaf7f0c75c37 [0,0,0,1,0,0|3,0,0]=4 407 B8R1.20 CC(=O)N[C@H]1C[C@@H]1F 576115c90eccc628d4e941f7a7852f6c [0,0,0,1,0,0|3,0,0]=4 408 B8R1.20 CC(=O)N[C@H]1C[C@H]1F 8cb83b6d110bbd78098fefdd41f3f45a [0,0,0,1,0,0|3,0,0]=4 409 B8R1.23 CC(=O)N1CC(C1)F cba0abc01d5766c34fe5531513946933 [0,0,0,1,0,0|3,0,0]=4 410 B8R1.23 CC(=O)N1CC(C1)O 77ab01a2253fd049b876c0a3e724463e [0,0,0,1,0,0|3,0,0]=4 411 B8R1.23 CC(C)N1CC(C1)O 19e365516feb7ed51e529f5f1cf8feb5 [0,0,0,1,0,0|2,0,1]=4 412 B8R1.35 C=C(Br)CNC1CC1 2f516375f9ddc5ad56210b340257c5d3 [0,0,0,1,0,0|3,0,0]=4 413 B8R1.35 C=C(Br)COC1CC1 bd8b8133c8c91a86915d922aaf12dcff [0,0,0,1,0,0|3,0,0]=4 414 B8R1.35 C=C(C)CNC1CC1 d7b88e809441d579b0399cecfd2ac93a [0,0,0,1,0,0|3,0,0]=4 415 B8R1.35 C=C(C)COC1CC1 63ffc7725ab16da355947b48ca968597 [0,0,0,1,0,0|3,0,0]=4 416 B8R1.35 C=C(Cl)CNC1CC1 860c5e4f08e3ea3eee595b4e8f44ee50 [0,0,0,1,0,0|3,0,0]=4 417 B8R1.35 C=C(Cl)COC1CC1 1701d80572247b9c5e9687be7dc89d21 [0,0,0,1,0,0|3,0,0]=4 418 B8R1.35 C=C(F)CNC1CC1 211b2ea4bdf3016e6154350d05034cd4 [0,0,0,1,0,0|3,0,0]=4 419 B8R1.35 C=C(F)COC1CC1 f8b7a28a6dcb07d7989406dc0bbbb443 [0,0,0,1,0,0|3,0,0]=4 420 B8R1.35 C=C(I)COC1CC1 317defbe769eafa0fb3cbdc7fc999360 [0,0,0,1,0,0|3,0,0]=4 421 B8R1.35 CC(=O)CNC1CC1 bc0778517edf8997c2cb438d2c68c0b3 [0,0,0,1,0,0|2,0,0]=3 422 B8R1.35 CC(=O)COC1CC1 609f3b6a39f515f0075f8f8591a3a733 [0,0,0,1,0,0|2,0,0]=3 423 B8R1.35 CC(=O)NCC1CC1 a9186e5a31a6f613e1b56d3a88df1d54 [0,0,0,1,0,0|2,0,0]=3 424 B8R1.35 CC(O)CNC1CC1 b9f250bd72bb55f49d088ac67e0cb3d1 [0,0,0,1,0,0|2,0,1]=4 425 B8R1.35 C[C@@H](O)CNC1CC1 d465ff1ec8c8ef18904ed72be45bd6db [0,0,0,1,0,0|2,0,1]=4 426 B8R1.35 C[C@H](O)CNC1CC1 689794ac138a6a9d1241373cb177f81d [0,0,0,1,0,0|2,0,1]=4 427 B8R1.35 NC(=O)CNC1CC1 a00288a750d00bc42baa6fd0a0cd1bb6 [0,0,0,1,0,0|2,0,0]=3 428 B8R1.35 NC(=O)COC1CC1 d832967b8065c8155f8f7bfb171fc20f [0,0,0,1,0,0|2,0,0]=3 429 B8R1.35 NC(=S)COC1CC1 6be25ed37cf29dfd01fc062a3dfbdc9f [0,0,0,1,0,0|2,1,0]=4 430 B8R1.35 O=C(O)CNC1CC1 b2ef6ef58e3db3eafb40e50595acdfb4 [0,0,0,1,0,0|1,0,0]=2 431 B8R1.35 O=C(O)COC1CC1 7246c239d90b158329e958bbc0895f52 [0,0,0,1,0,0|1,0,0]=2 432 B8R1.35 O=S(O)COC1CC1 85bbc60ec3a8ee46735b8745b51b860d [0,0,0,1,0,0|2,0,0]=3 433 B8R1.35 O=[N+]([O-])CNC1CC1 e1fb95192d4e5a6402b5be124e4d11d5 [0,0,0,1,0,0|2,0,1]=4 434 B8R1.35 O=[N+]([O-])COC1CC1 1c250e52285322e206d852dff75223c7 [0,0,0,1,0,0|2,0,1]=4 435 B8R1.77 CC(=O)N1CC1(C)C 590117534e705036bf11af3121bac41b [0,0,0,1,0,0|2,0,0]=3 436 B8R0.28 C/C(=C/COC(C)C)/Cl 7fe9c64c45a9d920627e606e5c16e8c0 [0,0,0,0,0,1|2,0,1]=4 437 B8R0.28 C/C(=C/COC(C)C)/I bf083f5e2b495d1222df4302aafc9da1 [0,0,0,0,0,1|2,0,1]=4 438 B8R0.28 C/C(=C\COC(C)C)/Cl 3d631fcefff4d6e9b8b38f0d9e660ac1 [0,0,0,0,0,1|2,0,1]=4 439 B8R0.28 C=C(Br)CCOC(C)C ebda5fee130a250b1943610fb0d4dd32 [0,0,0,0,0,1|2,0,0]=3 440 B8R0.28 C=C(Br)CNCC(=O)O 05b7dbb61d35e1c0bd7bb81a555d18bd [0,0,0,0,0,1|1,0,2]=4 441 B8R0.28 C=C(Br)CNCC(C)C c8a2223ad4fb68f566d748ff6bcd2335 [0,0,0,0,0,1|2,0,0]=3 442 B8R0.28 C=C(Br)CNCC(C)O 9fb88a0948d2e5bdf12f9b78629816f0 [0,0,0,0,0,1|3,0,0]=4 443 B8R0.28 C=C(Br)CNCN(C)C 737bcafdb6488e390a14dc4780a6f0d4 [0,0,0,0,0,1|3,0,0]=4 444 B8R0.28 C=C(Br)CNC[C@@H](C)O 843a61826fe7455ba2b3f5f07151d5c5 [0,0,0,0,0,1|3,0,0]=4 445 B8R0.28 C=C(Br)CNC[C@H](C)O 0daca7fb153be7ef914c69654154289c [0,0,0,0,0,1|3,0,0]=4 446 B8R0.28 C=C(Br)COCC(=O)O e8e184098bedf613b29dafbf59df235c [0,0,0,0,0,1|1,0,2]=4 447 B8R0.28 C=C(Br)COCC(C)C c1a78a7a2c4ff68938dbedaa96847100 [0,0,0,0,0,1|2,0,0]=3 448 B8R0.28 C=C(Br)COCC(C)F b0209b846482ec13554c5f7687483f1b [0,0,0,0,0,1|3,0,0]=4 449 B8R0.28 C=C(Br)COCC(C)S 59a4c218fcd80f88461a0ff6dd60ec46 [0,0,0,0,0,1|3,0,0]=4 450 B8R0.28 C=C(Br)COCN(C)C 3d7941443c79f4047a030db254ba9282 [0,0,0,0,0,1|3,0,0]=4 451 B8R0.28 C=C(Br)COC[C@@H](C)F f947b6703085d644911606e1fcdb6ac9 [0,0,0,0,0,1|3,0,0]=4 452 B8R0.28 C=C(Br)COC[C@H](C)F 28761d7a3fdbf074463c72fb1bffc776 [0,0,0,0,0,1|3,0,0]=4 453 B8R0.28 C=C(C)CCNC(=O)C aad0094172f39db5c54a5f1ed27a8fb8 [0,0,0,0,0,1|1,0,2]=4 454 B8R0.28 C=C(C)CCNC(C)C 743b41619695d9f1ae0496c6310ea6bc [0,0,0,0,0,1|2,0,0]=3 455 B8R0.28 C=C(C)CCOC(C)C 69cc10ae5801e38a3d14074626c7f435 [0,0,0,0,0,1|2,0,0]=3 456 B8R0.28 C=C(C)CNCC(=O)C 78f45c6f7509cf460bc1a071e894d38c [0,0,0,0,0,1|1,0,2]=4 457 B8R0.28 C=C(C)CNCC(=O)N 8581ddd0da23c9284f8dc88ea47d82e4 [0,0,0,0,0,1|1,0,2]=4 458 B8R0.28 C=C(C)CNCC(=O)O d2fb071764818c27006da68838bfc61e [0,0,0,0,0,1|0,0,2]=3 459 B8R0.28 C=C(C)CNCC(C)C 67c871a24d86e1667f16c08c29255d90 [0,0,0,0,0,1|2,0,0]=3 460 B8R0.28 C=C(C)CNCC(C)O 2b714059ab9907260e6aaccb52d1cb14 [0,0,0,0,0,1|3,0,0]=4 461 B8R0.28 C=C(C)CNCN(C)C bd8d3ecb05e7272c6d776cc910168f61 [0,0,0,0,0,1|3,0,0]=4 462 B8R0.28 C=C(C)CNC[C@@H](C)O c594a1781a89398e4ea1a6fed43fc869 [0,0,0,0,0,1|3,0,0]=4 463 B8R0.28 C=C(C)CNC[C@H](C)O a78b3c91bc5afc2963451088f5a91de2 [0,0,0,0,0,1|3,0,0]=4 464 B8R0.28 C=C(C)COCC(=O)C 3742b2df3a9a917d85dc43f50a8243d8 [0,0,0,0,0,1|1,0,2]=4 465 B8R0.28 C=C(C)COCC(=O)N 2e0576688aeeb2ae46f807ab3429eaee [0,0,0,0,0,1|1,0,2]=4 466 B8R0.28 C=C(C)COCC(=O)O 832789ca495f30d4ff4e6ddd8693aa4b [0,0,0,0,0,1|0,0,2]=3 467 B8R0.28 C=C(C)COCC(C)C 4b7379c6d79f87e4ea0cd366985a2d99 [0,0,0,0,0,1|2,0,0]=3 468 B8R0.28 C=C(C)COCC(C)F a795756f8a49e558cd74e3b29b74a2d5 [0,0,0,0,0,1|3,0,0]=4 469 B8R0.28 C=C(C)COCC(C)S 662040e79d7dc5c45fcfe22fcc5b8e8f [0,0,0,0,0,1|3,0,0]=4 470 B8R0.28 C=C(C)COCN(C)C d03b32e0b707db0af4f8cc8a5d86f7bf [0,0,0,0,0,1|3,0,0]=4 471 B8R0.28 C=C(C)COCS(=O)O a8428e5ac296d31c343bfaabd9a1be0e [0,0,0,0,0,1|1,0,2]=4 472 B8R0.28 C=C(C)COC[C@@H](C)F fa9677698904873ff03c9c575f62d5d5 [0,0,0,0,0,1|3,0,0]=4 473 B8R0.28 C=C(C)COC[C@H](C)F 15d5f151204078319cecfaf717305158 [0,0,0,0,0,1|3,0,0]=4 474 B8R0.28 C=C(Cl)CNCC(=O)O 0ea0d61f8e1c4c420d416d9dc1a60953 [0,0,0,0,0,1|1,0,2]=4 475 B8R0.28 C=C(Cl)CNCC(C)C 133a90dc6fd28ed81828592e584bc629 [0,0,0,0,0,1|2,0,0]=3 476 B8R0.28 C=C(Cl)CNCC(C)O 5723a59eceb538443c101fe4a14a018e [0,0,0,0,0,1|3,0,0]=4 477 B8R0.28 C=C(Cl)CNC[C@@H](C)O f53fddb474e2270f7fa67d391d9fef18 [0,0,0,0,0,1|3,0,0]=4 478 B8R0.28 C=C(Cl)CNC[C@H](C)O dfc3eeb46d1a4de13fa18f5be91bff05 [0,0,0,0,0,1|3,0,0]=4 479 B8R0.28 C=C(Cl)COCC(=O)O ee8599d3a22727e83bdc3c798e5397dc [0,0,0,0,0,1|1,0,2]=4 480 B8R0.28 C=C(Cl)COCC(C)C 184574507b3b98e3e54e734161d68e3a [0,0,0,0,0,1|2,0,0]=3 481 B8R0.28 C=C(Cl)COCC(C)F 3672477a94dfe298e147906214194efb [0,0,0,0,0,1|3,0,0]=4 482 B8R0.28 C=C(Cl)COCC(C)S 0cde86527f8008c2fda8216e5a450f51 [0,0,0,0,0,1|3,0,0]=4 483 B8R0.28 C=C(Cl)COCN(C)C 4cd7ede3e8e4255ad52cac62cab3f6ed [0,0,0,0,0,1|3,0,0]=4 484 B8R0.28 C=C(Cl)COC[C@@H](C)F 45a4ba031257a3435429fea4629ead14 [0,0,0,0,0,1|3,0,0]=4 485 B8R0.28 C=C(Cl)COC[C@H](C)F 69c1e58e6436849f5b1d73777f2da4e5 [0,0,0,0,0,1|3,0,0]=4 486 B8R0.28 C=C(F)CNCC(=O)O aab76ef26695cab61ed52383b845bb72 [0,0,0,0,0,1|1,0,2]=4 487 B8R0.28 C=C(F)CNCC(C)C cf657ab8bf1ba535863f8b8fe0d19e9c [0,0,0,0,0,1|2,0,0]=3 488 B8R0.28 C=C(F)CNCC(C)O bc993c0f4fc07f9dd2d0a6e11268cc9c [0,0,0,0,0,1|3,0,0]=4 489 B8R0.28 C=C(F)CNC[C@@H](C)O 22a4aa447954801f083163f99675e6c7 [0,0,0,0,0,1|3,0,0]=4 490 B8R0.28 C=C(F)CNC[C@H](C)O aacdff2ab85fae1372e6021530c115ca [0,0,0,0,0,1|3,0,0]=4 491 B8R0.28 C=C(F)COCC(=O)O f5776b84ba2c7eb610e1eea7ce1c5fab [0,0,0,0,0,1|1,0,2]=4 492 B8R0.28 C=C(F)COCC(C)C 232c1ccf078910d1e8ccc5380c172d54 [0,0,0,0,0,1|2,0,0]=3 493 B8R0.28 C=C(F)COCC(C)F 26c6e1cb2a9d3c24cbbfecf3e07dc683 [0,0,0,0,0,1|3,0,0]=4 494 B8R0.28 C=C(F)COCC(C)S 35fd13181a6ed68684fcd5c2a6d2b661 [0,0,0,0,0,1|3,0,0]=4 495 B8R0.28 C=C(F)COCN(C)C 6996a5089ff4c87d15052336439d8df9 [0,0,0,0,0,1|3,0,0]=4 496 B8R0.28 C=C(F)COC[C@@H](C)F 26b034ca9d303603e1f63957ade04ba6 [0,0,0,0,0,1|3,0,0]=4 497 B8R0.28 C=C(F)COC[C@H](C)F cde0955c2f48607017b18b013ae59969 [0,0,0,0,0,1|3,0,0]=4 498 B8R0.28 C=C(I)COCC(=O)O 52bbc10c521352de8ec4983b6d539a87 [0,0,0,0,0,1|1,0,2]=4 499 B8R0.28 C=C(I)COCC(C)C fe07220c9926e6770dfe26662ad9f2d0 [0,0,0,0,0,1|2,0,0]=3 500 B8R0.28 C=C(I)COCN(C)C 715ac345a44ba90bd5f14695612b838a [0,0,0,0,0,1|3,0,0]=4 501 B8R0.28 CC(=CCNC(C)C)C 4bc1ccab37d407a99a9990c7578b5199 [0,0,0,0,0,1|2,0,1]=4 502 B8R0.28 CC(=CCOC(C)C)C e629491c9d8565cece6e7fc625997c17 [0,0,0,0,0,1|2,0,1]=4 503 B8R0.28 CC(=CCOC(C)C)Cl a39ef05b023be2dade9da17dfad18eaf [0,0,0,0,0,1|2,0,1]=4 504 B8R0.28 CC(=CCOC(C)C)I 01c05b5dfce2ec79ecfc68549232c0d8 [0,0,0,0,0,1|2,0,1]=4 505 B8R0.28 CC(=O)CCOC(C)C aa63e522dd0ebf165c9748d141547c49 [0,0,0,0,0,1|1,0,0]=2 506 B8R0.28 CC(=O)CNCC(=O)N bbda1f980dd395779fd519fc93ff8e42 [0,0,0,0,0,1|2,0,1]=4 507 B8R0.28 CC(=O)CNCC(=O)O 3b62ba43bac1c68066fe81a9d9795c10 [0,0,0,0,0,1|1,0,1]=3 508 B8R0.28 CC(=O)CNCC(C)C 58247fbcbea9991e7cd9ed1b77ee7a40 [0,0,0,0,0,1|1,0,0]=2 509 B8R0.28 CC(=O)CNCC(C)O 5f353bb8460ab4b4998d7b1c0d718029 [0,0,0,0,0,1|2,0,0]=3 510 B8R0.28 CC(=O)CNCC(F)F 040d59234b7876c01745adf80e5ff725 [0,0,0,0,0,1|3,0,0]=4 511 B8R0.28 CC(=O)CNCN(C)C ec5ebd7a403a45eadc9cad461d333fc2 [0,0,0,0,0,1|2,0,0]=3 512 B8R0.28 CC(=O)CNC[C@@H](C)O 289cb2833e34a4679529caaeb671569a [0,0,0,0,0,1|2,0,0]=3 513 B8R0.28 CC(=O)CNC[C@H](C)O 8f9759e3f6a23502911152a314ede481 [0,0,0,0,0,1|2,0,0]=3 514 B8R0.28 CC(=O)COCC(=O)N 7a09bf9a262295e1e2b0e443dba0be09 [0,0,0,0,0,1|2,0,1]=4 515 B8R0.28 CC(=O)COCC(=O)O f81228ab107345361ebd98034538304d [0,0,0,0,0,1|1,0,1]=3 516 B8R0.28 CC(=O)COCC(C)C 63d13f7ca3ddeaa73dc93b4258f7679e [0,0,0,0,0,1|1,0,0]=2 517 B8R0.28 CC(=O)COCC(F)F 1c8a3357ef90b18ca0f3f98579cdfed3 [0,0,0,0,0,1|3,0,0]=4 518 B8R0.28 CC(=O)COCN(C)C 0fabcf829b746355f1de3762558cb13f [0,0,0,0,0,1|2,0,0]=3 519 B8R0.28 CC(=O)NCC=C(C)C 7c7868b44759d01e31a9aacecfcd8b3c [0,0,0,0,0,1|1,0,2]=4 520 B8R0.28 CC(=O)NCCC(=O)N 827b1ffc457a73bdad9dad1a9ea1d8a3 [0,0,0,0,0,1|2,0,1]=4 521 B8R0.28 CC(=O)NCCC(C)C b73f1b13554baa3e34a3560715777fc7 [0,0,0,0,0,1|1,0,0]=2 522 B8R0.28 CC(=O)NCCC(C)O 9f83d99fdee0bda30ff85f31b4ee4b24 [0,0,0,0,0,1|2,0,0]=3 523 B8R0.28 CC(=O)NCCC(F)F 4173536c2fddb4363b9de4250b8bab34 [0,0,0,0,0,1|3,0,0]=4 524 B8R0.28 CC(=O)NCCN(C)C 4d10f56d353a729da2aad8b96e7ef495 [0,0,0,0,0,1|2,0,0]=3 525 B8R0.28 CC(=O)NCCS(=O)C f793348c68f8cf140d26df72f9958533 [0,0,0,0,0,1|3,0,0]=4 526 B8R0.28 CC(=O)NCCS(=O)O 7023ecca400195c2464a327147893c5f [0,0,0,0,0,1|2,0,1]=4 527 B8R0.28 CC(=O)NCC[C@@H](C)O 40ba395f3243b6aab3575e45be2f2594 [0,0,0,0,0,1|2,0,0]=3 528 B8R0.28 CC(=O)NCC[C@H](C)O ac547764dcce609b723a03cd4268cf9c [0,0,0,0,0,1|2,0,0]=3 529 B8R0.28 CC(=O)NCOC(C)C 05afe8e43df805f9cf6a2136caacdf0b [0,0,0,0,0,1|2,0,0]=3 530 B8R0.28 CC(=O)OCOC(C)C b15362469d0253806d0b351da68c3f40 [0,0,0,0,0,1|2,0,0]=3 531 B8R0.28 CC(C)CCNC(C)C 7494529b9d27c9f6ef5f9f55fd6105c5 [0,0,0,0,0,1|2,0,1]=4 532 B8R0.28 CC(C)CCOC(C)C 7a47406221ef3ef784e2240c7ab399c4 [0,0,0,0,0,1|2,0,1]=4 533 B8R0.28 CC(C)CNCC(=O)N 387d837e6273849b1cdad6a6a721ebd2 [0,0,0,0,0,1|1,0,0]=2 534 B8R0.28 CC(C)CNCC(=O)O e07c47544f784e3ece77975eaa39fa62 [0,0,0,0,0,1|0,0,0]=1 535 B8R0.28 CC(C)CNCC(C)C 7f823540f830bc89c74acb4f018c9b6c [0,0,0,0,0,1|2,0,1]=4 536 B8R0.28 CC(C)CNCC(C)O f8d531c214571702a8653351806334e8 [0,0,0,0,0,1|1,0,1]=3 537 B8R0.28 CC(C)CNCC(F)F 763ad9cf9b371d0b523e06ea7e78f6cc [0,0,0,0,0,1|2,0,1]=4 538 B8R0.28 CC(C)CNCN(C)C fb7b67963e6a590a3b16db5d2afed010 [0,0,0,0,0,1|3,0,0]=4 539 B8R0.28 CC(C)CNC[C@@H](C)O 4626559d474fbd5d133e353e8138e591 [0,0,0,0,0,1|1,0,1]=3 540 B8R0.28 CC(C)CNC[C@H](C)O 5c0fd92b864c5a52f9fd6fbeaf433485 [0,0,0,0,0,1|1,0,1]=3 541 B8R0.28 CC(C)CNC[N+](=O)[O-] e5f388f51900fde81f64a7b5204f667c [0,0,0,0,0,1|1,0,1]=3 542 B8R0.28 CC(C)COCC(=O)N 80d16d817ce82c87fac95f334c2d23e2 [0,0,0,0,0,1|1,0,0]=2 543 B8R0.28 CC(C)COCC(=O)O 569b76ca429bc6806415c3ae92c5e81d [0,0,0,0,0,1|0,0,0]=1 544 B8R0.28 CC(C)COCC(=S)N 55b2e4b0740851f871d2f97589a87dae [0,0,0,0,0,1|1,1,0]=3 545 B8R0.28 CC(C)COCC(C)C 199edbdb51e3ed348bc1a35b4ae873c9 [0,0,0,0,0,1|2,0,1]=4 546 B8R0.28 CC(C)COCC(C)F a66e1ec68f7e13e5c9812ea43cf4369d [0,0,0,0,0,1|2,0,1]=4 547 B8R0.28 CC(C)COCC(C)S 6816b86f4b07b53468cd0147246ea320 [0,0,0,0,0,1|1,1,1]=4 548 B8R0.28 CC(C)COCC(F)F b01511e18c1f47a315db8fe45702a920 [0,0,0,0,0,1|2,0,1]=4 549 B8R0.28 CC(C)COCN(C)C 4ead049dc2c7ca6012fe2398a0b231a3 [0,0,0,0,0,1|3,0,0]=4 550 B8R0.28 CC(C)COCS(=O)O 28c686504a6dcd9fda3dd07e4e3670ff [0,0,0,0,0,1|1,0,0]=2 551 B8R0.28 CC(C)COC[C@@H](C)F 2147fd6515da5d3b6c82536464558a58 [0,0,0,0,0,1|2,0,1]=4 552 B8R0.28 CC(C)COC[C@H](C)F a65b66ec2a619d6bfcf57ffeb08d4ae2 [0,0,0,0,0,1|2,0,1]=4 553 B8R0.28 CC(C)COC[N+](=O)[O-] 47f94b331a22180dd9beb857af40f67d [0,0,0,0,0,1|1,0,1]=3 554 B8R0.28 CC(C)NCCC(=O)N 69c941b0389a0756f6e4daf4a9ab0a1c [0,0,0,0,0,1|1,0,0]=2 555 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [0,0,0,0,0,1|0,0,0]=1 556 B8R0.28 CC(C)NCCC(=S)N dd4f1fea922619b4f6e264931f2d243c [0,0,0,0,0,1|1,1,0]=3 557 B8R0.28 CC(C)NCCC(F)F 63a98e68488cc54230374c11c8370b7e [0,0,0,0,0,1|2,0,1]=4 558 B8R0.28 CC(C)NCCN(C)C 3587673bc602a122c7aa851e7b114a72 [0,0,0,0,0,1|3,0,0]=4 559 B8R0.28 CC(C)NCCS(=O)C 98cd73f96f71cf5f44c565cd7f7e7b57 [0,0,0,0,0,1|2,0,0]=3 560 B8R0.28 CC(C)NCCS(=O)O 263a3deff9fb38c3a098f5239db29a80 [0,0,0,0,0,1|1,0,0]=2 561 B8R0.28 CC(C)NCC[C@@H](C)O 22fd34c721310950afa2eb5fa7b9be25 [0,0,0,0,0,1|1,0,1]=3 562 B8R0.28 CC(C)NCC[C@H](C)O 49b6367cd8f92ec1d9eb4f55dcad194e [0,0,0,0,0,1|1,0,1]=3 563 B8R0.28 CC(C)OCC=C(Cl)Cl 3977695a98ea503580f0c7a3779b47e7 [0,0,0,0,0,1|2,0,1]=4 564 B8R0.28 CC(C)OCCC(=O)N 4ee5da2191d5f265d860cb9cfbdd86d0 [0,0,0,0,0,1|1,0,0]=2 565 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [0,0,0,0,0,1|0,0,0]=1 566 B8R0.28 CC(C)OCCC(F)F 0fa4ff54ec28021016b55bdfaac8dfa5 [0,0,0,0,0,1|2,0,1]=4 567 B8R0.28 CC(C)OCCN(C)C 6c602b3dc442436bc851647f33dca792 [0,0,0,0,0,1|3,0,0]=4 568 B8R0.28 CC(C)OCCS(=O)C 9f44a2155f1463de437cc5b5f1a51c9f [0,0,0,0,0,1|2,0,0]=3 569 B8R0.28 CC(C)OCC[N+](=O)[O-] 2fa45c3a4a072eea01604f0243815c5a [0,0,0,0,0,1|1,0,1]=3 570 B8R0.28 CC(C)OCNC(=O)N 225bdba254c9e931f9fcb99b6f0644ed [0,0,0,0,0,1|2,0,0]=3 571 B8R0.28 CC(C)OCSC(=O)N 456704dc0d4b427a59e70e240701dde0 [0,0,0,0,0,1|2,0,0]=3 572 B8R0.28 CC(F)COCC(=O)N e9a9dcc4f520190840a7681321655420 [0,0,0,0,0,1|2,0,0]=3 573 B8R0.28 CC(F)COCC(=O)O 5825b41f210e11c756bbcfb99cc1b006 [0,0,0,0,0,1|1,0,0]=2 574 B8R0.28 CC(F)COC[N+](=O)[O-] f5fc45cd15b328585b596435993a0746 [0,0,0,0,0,1|2,0,1]=4 575 B8R0.28 CC(O)CCNC(C)C c17e7a58f1e2a686463daf8ba7d1a0e5 [0,0,0,0,0,1|1,0,1]=3 576 B8R0.28 CC(O)CNCC(=O)N 3341accee510efc87cc2f7b3f340be25 [0,0,0,0,0,1|2,0,0]=3 577 B8R0.28 CC(O)CNCC(=O)O 0fd36ebbcdac4288c2c1e57036c66736 [0,0,0,0,0,1|1,0,0]=2 578 B8R0.28 CC(O)CNCC(C)O 4a2a1f1df64d323049b6cc3bed5f7eec [0,0,0,0,0,1|2,0,1]=4 579 B8R0.28 CC(O)CNCN(C)C 7ab35b459b0e2a8c24cce369c7516e65 [0,0,0,0,0,1|2,0,1]=4 580 B8R0.28 CC(O)CNC[C@@H](C)O a13654c0e0b2e8824a94b55cc885b895 [0,0,0,0,0,1|2,0,1]=4 581 B8R0.28 CC(O)CNC[C@H](C)O bb487d5d5b847c9d75f817219d3b7658 [0,0,0,0,0,1|2,0,1]=4 582 B8R0.28 CC(O)CNC[N+](=O)[O-] bc0706f83a86096652412116c255ac51 [0,0,0,0,0,1|2,0,1]=4 583 B8R0.28 CC(S)COCC(=O)N 82763365c9d88e903f647e90bafc9568 [0,0,0,0,0,1|2,0,0]=3 584 B8R0.28 CC(S)COCC(=O)O 572404985c8dcbb1715d2ff9748114ee [0,0,0,0,0,1|1,0,0]=2 585 B8R0.28 CC(S)COC[N+](=O)[O-] 307ef74ffaea9bbb1ebf3534b3fd775c [0,0,0,0,0,1|2,0,1]=4 586 B8R0.28 CN(C)CNCC(=O)N 61dc06082070ca26d637fe3f6c04d6ee [0,0,0,0,0,1|2,0,0]=3 587 B8R0.28 CN(C)CNCC(=O)O e6fa8314318b79cfd8ae4ca00ea3b758 [0,0,0,0,0,1|1,0,0]=2 588 B8R0.28 CN(C)COCC(=O)N 419913c96364efa4322cd65a17692db0 [0,0,0,0,0,1|2,0,0]=3 589 B8R0.28 CN(C)COCC(=O)O fc3ba42b9747b2743ad7eda51803bfcf [0,0,0,0,0,1|1,0,0]=2 590 B8R0.28 CN(C)COCC(=S)N b505f7d05decd7dbf17e364c97c1bfcc [0,0,0,0,0,1|2,1,0]=4 591 B8R0.28 CN(C)COCS(=O)O 31b80e781d9b95ad4f23dc71b05264ed [0,0,0,0,0,1|2,0,0]=3 592 B8R0.28 C[C@@H](F)COCC(=O)N 26ec5b6c1520beb81cb66bb9beb36fee [0,0,0,0,0,1|2,0,0]=3 593 B8R0.28 C[C@@H](F)COCC(=O)O d9eb7ecba762e434dc71a2e535d45ab3 [0,0,0,0,0,1|1,0,0]=2 594 B8R0.28 C[C@@H](F)COC[N+](=O)[O-] d0bd8bb4c454a40c55d51be62ee35e19 [0,0,0,0,0,1|2,0,1]=4 595 B8R0.28 C[C@@H](O)CNCC(=O)N f96380b9f6a9b4fe64a1f461f7c8c0ef [0,0,0,0,0,1|2,0,0]=3 596 B8R0.28 C[C@@H](O)CNCC(=O)O 6173ec4fb928b6f3ec52f242f1027a0f [0,0,0,0,0,1|1,0,0]=2 597 B8R0.28 C[C@@H](O)CNCN(C)C a621fba5932a5a91195f957cafc83517 [0,0,0,0,0,1|2,0,1]=4 598 B8R0.28 C[C@@H](O)CNC[C@@H](C)O 16696c158ac89d0a205b741acfd241ab [0,0,0,0,0,1|2,0,1]=4 599 B8R0.28 C[C@@H](O)CNC[N+](=O)[O-] 01add8d4900a3d2c9dbb3cfa1d1d3bed [0,0,0,0,0,1|2,0,1]=4 600 B8R0.28 C[C@H](F)COCC(=O)N 7c480ef07c1a9a0730d837d631e998ff [0,0,0,0,0,1|2,0,0]=3 601 B8R0.28 C[C@H](F)COCC(=O)O 5eaade2b5a7f385567c5eb3b69b32ab7 [0,0,0,0,0,1|1,0,0]=2 602 B8R0.28 C[C@H](F)COC[N+](=O)[O-] aa8cec53c4a801cd0614ee2440d02cbd [0,0,0,0,0,1|2,0,1]=4 603 B8R0.28 C[C@H](O)CNCC(=O)N dab4e7fe2a5d0d056345029620f69bd6 [0,0,0,0,0,1|2,0,0]=3 604 B8R0.28 C[C@H](O)CNCC(=O)O 369122c3216fc4d9a4a5ea858770fa62 [0,0,0,0,0,1|1,0,0]=2 605 B8R0.28 C[C@H](O)CNCN(C)C 71021cc17fa239f6175ca48c6a3f76ca [0,0,0,0,0,1|2,0,1]=4 606 B8R0.28 C[C@H](O)CNC[C@@H](C)O f1681b429c26c45959758bad686c97ff [0,0,0,0,0,1|2,0,1]=4 607 B8R0.28 C[C@H](O)CNC[C@H](C)O bcf7a2c6e4dddb3906509a8f040e6475 [0,0,0,0,0,1|2,0,1]=4 608 B8R0.28 C[C@H](O)CNC[N+](=O)[O-] 071b6815174fac0844082b8d40c109bc [0,0,0,0,0,1|2,0,1]=4 609 B8R0.28 NC(=O)CNCC(=O)O f2703709dbe66eb9eafa6a5e3a6833d0 [0,0,0,0,0,1|2,0,1]=4 610 B8R0.28 NC(=O)CNCC(F)F 602feedc68194f5f28e59a8b32c64405 [0,0,0,0,0,1|3,0,0]=4 611 B8R0.28 NC(=O)COCC(=O)O ca1a8d30b253d832771128a06ed499a3 [0,0,0,0,0,1|2,0,1]=4 612 B8R0.28 NC(=O)COCC(F)F 1a68919610823a07c8896dac818d8351 [0,0,0,0,0,1|3,0,0]=4 613 B8R0.28 NC(=S)COCC(=O)O 29d31950ca99b5fd12dd696af3cc0c91 [0,0,0,0,0,1|2,0,1]=4 614 B8R0.28 O=C(O)CNCC(=O)O 7ab7bcf73fc666bf191dd4d7783c1974 [0,0,0,0,0,1|2,0,1]=4 615 B8R0.28 O=C(O)CNCC(F)F 040842ed6827b9851af762c119c56595 [0,0,0,0,0,1|2,0,0]=3 616 B8R0.28 O=C(O)CNC[N+](=O)[O-] 806b61457d3ba2a02c5db02823c3bf09 [0,0,0,0,0,1|3,0,0]=4 617 B8R0.28 O=C(O)COCC(=O)O c0e1c849c7114f9f4b4ce529ad852b29 [0,0,0,0,0,1|2,0,1]=4 618 B8R0.28 O=C(O)COCC(F)F 9e8fe105feb56c3ab08ea5459b7002d2 [0,0,0,0,0,1|2,0,0]=3 619 B8R0.28 O=C(O)COCS(=O)O 5f5dfe808e062671c6c68f22db3ca309 [0,0,0,0,0,1|3,0,0]=4 620 B8R0.28 O=C(O)COC[N+](=O)[O-] 6de314e5255acc45a8e7039e67021f9e [0,0,0,0,0,1|3,0,0]=4 621 B8R0.28 O=S(O)COCC(F)F b3ce82b3760f3d678a410c01efdbc28c [0,0,0,0,0,1|3,0,0]=4 622 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [2,0,0,0,0,0|2,0,0]=4 623 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [2,0,0,0,0,0|1,0,1]=4 624 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [2,0,0,0,0,0|1,0,0]=3 625 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [2,0,0,0,0,0|1,0,1]=4 626 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [2,0,0,0,0,0|1,0,1]=4 627 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [2,0,0,0,0,0|2,0,0]=4 628 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [2,0,0,0,0,0|2,0,0]=4 629 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [2,0,0,0,0,0|2,0,0]=4 630 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [2,0,0,0,0,0|2,0,0]=4 631 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [2,0,0,0,0,0|2,0,0]=4 632 B7R0.2 C=C(C=O)OC(C)C 1024bdfd369573a0f4c5c31da01d34c1 [1,1,0,0,0,0|1,0,1]=4 633 B7R0.2 C=CC(C)NC(C)C 538c1af40a959f36dd21007158f94b60 [1,1,0,0,0,0|2,0,0]=4 634 B7R0.2 C=CC(C)OC(C)C 532c4624b978961a1c4eda7e3050b228 [1,1,0,0,0,0|2,0,0]=4 635 B7R0.2 C=C[C@H](C)OC(C)C 0e0bab0a84cd6e94202f911cf430b03e [1,1,0,0,0,0|2,0,0]=4 636 B7R0.2 CC(C)CN(C)C=O b4351ddc68e0590149228e0a5cd05648 [1,1,0,0,0,0|1,0,0]=3 637 B7R0.2 CC(C)CN(C)CO 0b6bf7cc82aa91188fc000497729e3d4 [1,1,0,0,0,0|1,0,1]=4 638 B7R0.2 CC(C)NC(C)CO 7d97b958c7e2d8819c7c1f63bb18ce94 [1,1,0,0,0,0|1,0,1]=4 639 B7R0.2 CC(C)N[C@@H](C)CO cb1d68f0941324aa0f3206f5b48bd94c [1,1,0,0,0,0|1,0,1]=4 640 B7R0.2 CC(C)N[C@H](C)CO f1b0a39369263dcbc11a080cbeb93c35 [1,1,0,0,0,0|1,0,1]=4 641 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [1,1,0,0,0,0|1,0,0]=3 642 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [1,1,0,0,0,0|1,0,0]=3 643 B7R0.2 CC(O)CN(C)C=O 327f1a278ffacbbe3e88f0ce0c9edbdc [1,1,0,0,0,0|2,0,0]=4 644 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [1,1,0,0,0,0|2,0,0]=4 645 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [1,1,0,0,0,0|2,0,0]=4 646 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [1,1,0,0,0,0|1,0,0]=3 647 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [1,1,0,0,0,0|2,0,0]=4 648 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [1,1,0,0,0,0|2,0,0]=4 649 B7R0.2 CN(CF)CC(=O)O 7d1eb1d71c500640f6029a70869bff49 [1,1,0,0,0,0|2,0,0]=4 650 B7R0.2 CN(CO)CC(=O)O e8788fe9a5132c43f9e5136dbe3278ce [1,1,0,0,0,0|2,0,0]=4 651 B7R0.2 C[C@H](O)CN(C)C=O 25d41e47dcdadeb17ce6f98cdd60ebbc [1,1,0,0,0,0|2,0,0]=4 652 B7R0.3 C#CC(=O)NCCC cae95b1c8d30c3884ac9714e15062442 [1,1,0,0,0,0|2,0,0]=4 653 B7R0.3 C#CC(C)NCC=O ee5942f89b23fd86f41ead0eb91f1f2e [1,1,0,0,0,0|1,0,1]=4 654 B7R0.3 C#CC(C)OCC=O ba88f9e6c584cf37d447c8f942df3466 [1,1,0,0,0,0|1,0,1]=4 655 B7R0.3 C#C[C@@H](C)NCC=O 5e75d1c6c4c57369266bed642bd09c8c [1,1,0,0,0,0|1,0,1]=4 656 B7R0.3 C#C[C@@H](C)OCC=O e5dc09536c65fde58fa0a450d6db7a37 [1,1,0,0,0,0|1,0,1]=4 657 B7R0.3 C#C[C@H](C)NCC=O a08e4dd67e9c6ea8e5647895c6d0c01d [1,1,0,0,0,0|1,0,1]=4 658 B7R0.3 C#C[C@H](C)OCC=O 0416c8a6869357496f6fa27d6441617b [1,1,0,0,0,0|1,0,1]=4 659 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [1,1,0,0,0,0|2,0,0]=4 660 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [1,1,0,0,0,0|2,0,0]=4 661 B7R0.3 C=CC(C)NCC=O 39b14e3f69e0eb05b9593b7c40c09aad [1,1,0,0,0,0|1,0,1]=4 662 B7R0.3 C=CC(C)OCC=O cb8ab1e26c946580cb2eacb238eceadb [1,1,0,0,0,0|1,0,1]=4 663 B7R0.3 C=CCCN(C)CC 224a5773b1b84beacfc8f44066799c60 [1,1,0,0,0,0|2,0,0]=4 664 B7R0.3 C=CCCN(C)CF 5463399a5f95f1fae09b7b6e3e379754 [1,1,0,0,0,0|2,0,0]=4 665 B7R0.3 C=CCCN(C)CO 579b9235661212985211ec5a8a4dba41 [1,1,0,0,0,0|2,0,0]=4 666 B7R0.3 C=CCNC(C)CC d45d48be61d418ef3d95cad9c5582bbe [1,1,0,0,0,0|2,0,0]=4 667 B7R0.3 C=CCNC(C)CO a948e20f9bd4754ec87302b6fdce81b3 [1,1,0,0,0,0|2,0,0]=4 668 B7R0.3 C=CCN[C@@H](C)CC c610fd310f1909b965f637191eeb2b15 [1,1,0,0,0,0|2,0,0]=4 669 B7R0.3 C=CCN[C@@H](C)CO e3ac2dff9fa8b94ad1bb6f4b16ad0799 [1,1,0,0,0,0|2,0,0]=4 670 B7R0.3 C=CCN[C@H](C)CC 0c789cf00460bd8cdb23c51009c4742c [1,1,0,0,0,0|2,0,0]=4 671 B7R0.3 C=CCN[C@H](C)CO 45438ab57072f0e042c82a4659374125 [1,1,0,0,0,0|2,0,0]=4 672 B7R0.3 C=CCOC(C)CC 787a9267d8fe014db706087d78f6c857 [1,1,0,0,0,0|2,0,0]=4 673 B7R0.3 C=CCOC(C)CF fb11bf0cefab4ea0e38b93cfcee01743 [1,1,0,0,0,0|2,0,0]=4 674 B7R0.3 C=CCOC(C)CS 0ddb9af989e9e9c33b24b66863a996b5 [1,1,0,0,0,0|2,0,0]=4 675 B7R0.3 C=CCO[C@@H](C)CC b304fc3faf864b09563f01310febaac7 [1,1,0,0,0,0|2,0,0]=4 676 B7R0.3 C=CCO[C@H](C)CC 15018d65de2076ec221d9660c184c296 [1,1,0,0,0,0|2,0,0]=4 677 B7R0.3 C=CCO[C@H](C)CS fd43ed19bf853317b3a063b2977abf8d [1,1,0,0,0,0|2,0,0]=4 678 B7R0.3 C=C[C@H](C)OCC=O 1b1ed3039c6605fda21f2d5059ac888e [1,1,0,0,0,0|1,0,1]=4 679 B7R0.3 CC(C#N)NCC=O 69c055aa64463f8147e8c2a5cf4caa1a [1,1,0,0,0,0|1,0,1]=4 680 B7R0.3 CC(C=O)OCC=O 216dc0b62aef64aacebb34095641e5d6 [1,1,0,0,0,0|1,0,1]=4 681 B7R0.3 CC(CF)OCC=O 41897813684ca2355d787ae430508b45 [1,1,0,0,0,0|1,0,0]=3 682 B7R0.3 CC(CO)CNC=O 24fbd7aa61fab8c89f8d9333e1a09567 [1,1,0,0,0,0|1,0,0]=3 683 B7R0.3 CC(CO)CNCO 21fb23aa708a9b1afe928be1d7d3777a [1,1,0,0,0,0|1,0,1]=4 684 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [1,1,0,0,0,0|1,0,0]=3 685 B7R0.3 CC(CO)NCCO 5cd093cef9425d970f2779cfd472d185 [1,1,0,0,0,0|1,0,1]=4 686 B7R0.3 CC(CS)OCC=O 4070359928b4f2d4ef682a3d0e169b5c [1,1,0,0,0,0|1,0,0]=3 687 B7R0.3 CCC(C)CNC=O ebd419a28eb79e00a55acb30bf712ff2 [1,1,0,0,0,0|1,0,0]=3 688 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [1,1,0,0,0,0|1,0,1]=4 689 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [1,1,0,0,0,0|1,0,0]=3 690 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [1,1,0,0,0,0|1,0,1]=4 691 B7R0.3 CCC(C)OCC=O 3048fa7b9eb03a623d9ab002261defa2 [1,1,0,0,0,0|1,0,0]=3 692 B7R0.3 CCC(O)CNC=O 3e7e1c1d57179570b5ce8a6f87ec4444 [1,1,0,0,0,0|2,0,0]=4 693 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [1,1,0,0,0,0|2,0,0]=4 694 B7R0.3 CCCCN(C)CO 3f062a8d7718607e7a9f891ee2c89bec [1,1,0,0,0,0|2,0,0]=4 695 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [1,1,0,0,0,0|1,0,1]=4 696 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [1,1,0,0,0,0|2,0,0]=4 697 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [1,1,0,0,0,0|2,0,0]=4 698 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [1,1,0,0,0,0|1,0,0]=3 699 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [1,1,0,0,0,0|1,1,0]=4 700 B7R0.3 CCN(C)C/C=C\O 60deab8000357700021216d9934790c2 [1,1,0,0,0,0|1,0,1]=4 701 B7R0.3 CCN(C)CCC=O 7943cc4d9a1ab8d439ad27cf7b079146 [1,1,0,0,0,0|1,0,0]=3 702 B7R0.3 CCN(C)CCCO b1a93de8904fff1ed54369ee01ff1bc7 [1,1,0,0,0,0|1,0,1]=4 703 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [1,1,0,0,0,0|2,0,0]=4 704 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [1,1,0,0,0,0|1,0,0]=3 705 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [1,1,0,0,0,0|1,0,0]=3 706 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [1,1,0,0,0,0|2,0,0]=4 707 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [1,1,0,0,0,0|2,0,0]=4 708 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [1,1,0,0,0,0|1,0,0]=3 709 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [1,1,0,0,0,0|1,0,0]=3 710 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [1,1,0,0,0,0|1,0,1]=4 711 B7R0.3 CC[C@@H](C)OCC=O fcdaaaea8501897d08b7daa2ec02db5c [1,1,0,0,0,0|1,0,0]=3 712 B7R0.3 CC[C@@H](O)CNC=O 35e0b928eef0050ada3a4c2a6cc4db4c [1,1,0,0,0,0|2,0,0]=4 713 B7R0.3 CC[C@H](C)CNC=O 8ddf4a7afc076d1492904a4e2d1a92ee [1,1,0,0,0,0|1,0,0]=3 714 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [1,1,0,0,0,0|1,0,1]=4 715 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [1,1,0,0,0,0|1,0,0]=3 716 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [1,1,0,0,0,0|1,0,1]=4 717 B7R0.3 CC[C@H](C)OCC=O 1749dffdbae3c22c50ca54c1db5fd2b4 [1,1,0,0,0,0|1,0,0]=3 718 B7R0.3 CN(CF)CCCO d4f0b34db0d9c626af3b938b320480ee [1,1,0,0,0,0|1,0,1]=4 719 B7R0.3 CN(CO)CCCO 50d216450d408b356dcec2a42a299a65 [1,1,0,0,0,0|1,0,1]=4 720 B7R0.3 COC(=O)CNCF d0cb09e31ddbdd9ba78eb9af662306ae [1,1,0,0,0,0|2,0,0]=4 721 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [1,1,0,0,0,0|2,0,0]=4 722 B7R0.3 COC(=O)COCF fd3305c5ca341d194c1950aa91cbc248 [1,1,0,0,0,0|2,0,0]=4 723 B7R0.3 CO[C@@H](C)CNC=O cbdf409ea735afb7a574d69375fb28db [1,1,0,0,0,0|1,0,0]=3 724 B7R0.3 CO[C@@H](C)CNCO ff28fd2c886f6ee1545aaf943963c99e [1,1,0,0,0,0|1,0,1]=4 725 B7R0.3 CO[C@H](C)CNC=O 943b01dc3bd1c6157c7dfb62f870e0a6 [1,1,0,0,0,0|1,0,0]=3 726 B7R0.3 CO[C@H](C)CNCO ef2aaae2be2c576592de749a4d18a6e8 [1,1,0,0,0,0|1,0,1]=4 727 B7R0.3 C[C@@H](CO)NCC=O 20c7bf02d372e36cba042ac5b28907f5 [1,1,0,0,0,0|1,0,0]=3 728 B7R0.3 C[C@@H](CO)NCCO f533b151726db8df114b2e138c242e75 [1,1,0,0,0,0|1,0,1]=4 729 B7R0.3 C[C@H](CO)CNC=O 32037413a41facbb9dd3661f525eb476 [1,1,0,0,0,0|1,0,0]=3 730 B7R0.3 C[C@H](CO)CNCO e7c0a7e8a9580f5a7445a0921a5a0780 [1,1,0,0,0,0|1,0,1]=4 731 B7R0.3 C[C@H](CO)NCC=O 1a3e3f6cab470e0221e0a223d10de41c [1,1,0,0,0,0|1,0,0]=3 732 B7R0.3 C[C@H](CO)NCCO 57e737113b903a53b0864be81471f1e6 [1,1,0,0,0,0|1,0,1]=4 733 B7R0.3 C[C@H](CS)OCC=O 54b8c633a4f5d8e7a615987326df81f2 [1,1,0,0,0,0|1,0,0]=3 734 B7R0.3 O=C(CNCF)NO 56dda9ea00f77e2491394a26c36ddff8 [1,1,0,0,0,0|2,0,0]=4 735 B7R0.3 O=C(CNCO)NO be629e88994a31d4135b42794d1a980e [1,1,0,0,0,0|2,0,0]=4 736 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [1,1,0,0,0,0|2,0,0]=4 737 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [1,1,0,0,0,0|2,0,0]=4 738 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [1,1,0,0,0,0|2,0,0]=4 739 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [1,1,0,0,0,0|2,0,0]=4 740 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [1,1,0,0,0,0|2,0,0]=4 741 B7R0.3 O=CNCC(Br)CBr 93597cc22f25c51d1dc8b5845ef56682 [1,1,0,0,0,0|2,0,0]=4 742 B7R0.3 O=CNCC(F)CO 20b10b91868850c2fa4696a502438329 [1,1,0,0,0,0|2,0,0]=4 743 B7R0.3 O=CNCC(O)CO f07ee978b5361099ae5463db2d8284c6 [1,1,0,0,0,0|2,0,0]=4 744 B7R0.3 O=CNC[C@@H](F)CO fe3e6de1ebe35bf08c36352dbce26e10 [1,1,0,0,0,0|2,0,0]=4 745 B7R0.3 O=CNC[C@@H](O)CO 4afeec0bbb868f60f0a97c37149bb7ed [1,1,0,0,0,0|2,0,0]=4 746 B7R0.3 O=CNC[C@H](F)CO 22ed73e19a0bc3d8fec3d0ab621da9c9 [1,1,0,0,0,0|2,0,0]=4 747 B7R0.3 O=CNC[C@H](O)CO bac710e216d9ff7e3114b1f469852b76 [1,1,0,0,0,0|2,0,0]=4 748 B7R0.4 C#CCCNC(C)C 4f43d4aa609bb85ba1ce2df12e95dc64 [1,1,0,0,0,0|1,0,1]=4 749 B7R0.4 C#CCCOC(C)C 742a793a3d568179dfa9ddcdeebb6426 [1,1,0,0,0,0|1,0,1]=4 750 B7R0.4 C#CCNCC(=O)O 343eb4150e1f97e741a1efc40a4c68ea [1,1,0,0,0,0|0,0,2]=4 751 B7R0.4 C#CCNCC(C)C 211a4a57c09fb23261da854e91255de6 [1,1,0,0,0,0|1,0,1]=4 752 B7R0.4 C#CCOCC(=O)O 3bcfd2fb505271f199367374d77863ed [1,1,0,0,0,0|0,0,2]=4 753 B7R0.4 C#CCOCC(C)C 7b3dff03c4339e6282faa453495ddd1d [1,1,0,0,0,0|1,0,1]=4 754 B7R0.4 C/C=C/COC(C)C 9aa0010d7f93a3506d4a773cf3ec644e [1,1,0,0,0,0|1,0,1]=4 755 B7R0.4 C/C=C\COC(C)C 0fabad7d11b4d0a5e5a55e0264bdae1c [1,1,0,0,0,0|1,0,1]=4 756 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [1,1,0,0,0,0|2,0,0]=4 757 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [1,1,0,0,0,0|2,0,0]=4 758 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [1,1,0,0,0,0|2,0,0]=4 759 B7R0.4 C=C(C)CCNC=O 4d615a3112b965fa05f258614a56fe4d [1,1,0,0,0,0|0,0,2]=4 760 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [1,1,0,0,0,0|2,0,0]=4 761 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [1,1,0,0,0,0|2,0,0]=4 762 B7R0.4 C=C(C)CNCC=O 9d28817af531c4aeff91a0e804528258 [1,1,0,0,0,0|0,0,2]=4 763 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [1,1,0,0,0,0|2,0,0]=4 764 B7R0.4 C=C(C)COCC=O ac319c323600422cf8ad488ebe56732b [1,1,0,0,0,0|0,0,2]=4 765 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [1,1,0,0,0,0|2,0,0]=4 766 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [1,1,0,0,0,0|2,0,0]=4 767 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [1,1,0,0,0,0|2,0,0]=4 768 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [1,1,0,0,0,0|2,0,0]=4 769 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [1,1,0,0,0,0|2,0,0]=4 770 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [1,1,0,0,0,0|2,0,0]=4 771 B7R0.4 C=CCCNC(C)C b52c7765f384ae2bfbfea60738f06e8b [1,1,0,0,0,0|1,0,0]=3 772 B7R0.4 C=CCCOC(C)C 1236c8c26ebbecb079980edfed00132c [1,1,0,0,0,0|1,0,0]=3 773 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [1,1,0,0,0,0|0,0,2]=4 774 B7R0.4 C=CCNCC(C)C 7f73adb711a665b808680f9f4e975092 [1,1,0,0,0,0|1,0,0]=3 775 B7R0.4 C=CCNCC(C)O dde411813044e811a6123a529ae27585 [1,1,0,0,0,0|2,0,0]=4 776 B7R0.4 C=CCNC[C@@H](C)O ec4536a6022457f632f6d265caa69d4d [1,1,0,0,0,0|2,0,0]=4 777 B7R0.4 C=CCNC[C@H](C)O 42afe3d5f35955757d07afc6e0f5adfa [1,1,0,0,0,0|2,0,0]=4 778 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [1,1,0,0,0,0|0,0,2]=4 779 B7R0.4 C=CCOCC(C)C 430e26f15a2ffd69e16a09cb44866cd6 [1,1,0,0,0,0|1,0,0]=3 780 B7R0.4 C=CCOCC(C)F db539a456bd6752ebe10d7b23c41a2c2 [1,1,0,0,0,0|2,0,0]=4 781 B7R0.4 C=CCOCC(C)S c0443280688281fff6bac011768c9c1b [1,1,0,0,0,0|2,0,0]=4 782 B7R0.4 C=CCOC[C@@H](C)F 6fbef7cd23b7ad6df74ff1c9ada25c26 [1,1,0,0,0,0|2,0,0]=4 783 B7R0.4 C=CCOC[C@H](C)F ee8f1a8a998027f3ef4fed8e2898cb78 [1,1,0,0,0,0|2,0,0]=4 784 B7R0.4 CC(=CCNC=O)C aa6f8132c2b4d81390aba70f51f750c7 [1,1,0,0,0,0|0,0,2]=4 785 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [1,1,0,0,0,0|2,0,0]=4 786 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [1,1,0,0,0,0|1,0,1]=4 787 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [1,1,0,0,0,0|2,0,0]=4 788 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [1,1,0,0,0,0|2,0,0]=4 789 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [1,1,0,0,0,0|2,0,0]=4 790 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [1,1,0,0,0,0|1,0,1]=4 791 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [1,1,0,0,0,0|2,0,0]=4 792 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [1,1,0,0,0,0|2,0,0]=4 793 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [1,1,0,0,0,0|2,0,0]=4 794 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [1,1,0,0,0,0|2,0,0]=4 795 B7R0.4 CC(C)CCNC#N 7936536f733b5b6191344eccb1c2de4e [1,1,0,0,0,0|1,0,1]=4 796 B7R0.4 CC(C)CCNC=O 8fb8d2f77b8e7548ff10a901f65a6a2b [1,1,0,0,0,0|0,0,0]=2 797 B7R0.4 CC(C)CCNCF 7f725eaafe57b21e0294a49a9a15ea60 [1,1,0,0,0,0|1,0,1]=4 798 B7R0.4 CC(C)CCNCO 55d154c6198aa4781c1600237013f9c3 [1,1,0,0,0,0|0,0,1]=3 799 B7R0.4 CC(C)CCOCF 5c4beb2cb4fc50a6f233dfe91cf9c945 [1,1,0,0,0,0|1,0,1]=4 800 B7R0.4 CC(C)CNCC#N adf92d7ae9fba28ad17a528a9bd32f1b [1,1,0,0,0,0|1,0,1]=4 801 B7R0.4 CC(C)CNCC=O e2e655e4d2528bc07c0e7e73f520729a [1,1,0,0,0,0|0,0,0]=2 802 B7R0.4 CC(C)CNCCBr 92559cb2ebacf0b0f5c92d38f861f670 [1,1,0,0,0,0|1,0,1]=4 803 B7R0.4 CC(C)CNCCF 14de296bc1a413c56debcce38ccc407f [1,1,0,0,0,0|1,0,1]=4 804 B7R0.4 CC(C)CNCCI 0dda19f31a767f7ffd847981f58c8b5f [1,1,0,0,0,0|1,0,1]=4 805 B7R0.4 CC(C)CNCCO bc40b3ae5c3a6adde3dd753071b81161 [1,1,0,0,0,0|0,0,1]=3 806 B7R0.4 CC(C)CNCCS 0f3531c02e7e4d73732ad308afcb17e1 [1,1,0,0,0,0|0,1,1]=4 807 B7R0.4 CC(C)COCC#N 7cb07814ea2e3e867e4666ea75f57343 [1,1,0,0,0,0|1,0,1]=4 808 B7R0.4 CC(C)COCC=O bd41a1e672abb592bd026a120b038c2b [1,1,0,0,0,0|0,0,0]=2 809 B7R0.4 CC(C)COCCF 83bb949d8c551562556937d0600d6efb [1,1,0,0,0,0|1,0,1]=4 810 B7R0.4 CC(C)COCCS 84ea4ff8f634d7739886cdbaa6625a00 [1,1,0,0,0,0|0,1,1]=4 811 B7R0.4 CC(C)NCCC#N d4400c07b449260898c72fb360a960eb [1,1,0,0,0,0|1,0,1]=4 812 B7R0.4 CC(C)NCCCCl 1f7b6a1eb64f799a69aafcb62f78849f [1,1,0,0,0,0|1,0,1]=4 813 B7R0.4 CC(C)NCCCO 8da9f776dfc6acc6ee817ae96d2c50e4 [1,1,0,0,0,0|0,0,1]=3 814 B7R0.4 CC(C)NCCON 0430106bca7b178ac757feef5057edc3 [1,1,0,0,0,0|1,0,1]=4 815 B7R0.4 CC(C)OC/C=C/Cl 91491ffbe45b122c593493ce1ec28e21 [1,1,0,0,0,0|1,0,1]=4 816 B7R0.4 CC(C)OC/C=C\Cl 1e6b64e528b3b312db8e7f5d9f5e401f [1,1,0,0,0,0|1,0,1]=4 817 B7R0.4 CC(C)OCC=CCl 05c2ee32f696ac6fe468daf78fa733c3 [1,1,0,0,0,0|1,0,1]=4 818 B7R0.4 CC(C)OCCC#N fd21c0fde146e79c4d1d9956f568a2be [1,1,0,0,0,0|1,0,1]=4 819 B7R0.4 CC(C)OCCC=O ccbf2d62dbd49bddcfe1567d50bb806b [1,1,0,0,0,0|0,0,0]=2 820 B7R0.4 CC(C)OCCCF 4d070417a783226fcc67bd342ecf7613 [1,1,0,0,0,0|1,0,1]=4 821 B7R0.4 CC(C)OCCCS 3817134d1cec338c192448359f8580cb [1,1,0,0,0,0|0,1,1]=4 822 B7R0.4 CC(F)COCC=O b46e29d4101a17f157843c4bdc730f6e [1,1,0,0,0,0|1,0,0]=3 823 B7R0.4 CC(O)CCNC=O 7d16a38d54e5204f080aee8a4fea20ce [1,1,0,0,0,0|1,0,0]=3 824 B7R0.4 CC(O)CCNCO 9f501543a06bdc8213f2c63cd9b34692 [1,1,0,0,0,0|1,0,1]=4 825 B7R0.4 CC(O)CNCC=O 944b3483ce03d29e552c3844291f44b6 [1,1,0,0,0,0|1,0,0]=3 826 B7R0.4 CC(O)CNCCO 8f4ae016359cb69f6b81e6aefbfc1a34 [1,1,0,0,0,0|1,0,1]=4 827 B7R0.4 CC(S)COCC=O 15ebcb7a251dae8d81b8432f521474d6 [1,1,0,0,0,0|1,0,0]=3 828 B7R0.4 CC=CCNC(C)C fbbab91c5c0fa912c14bc0d774686380 [1,1,0,0,0,0|1,0,1]=4 829 B7R0.4 CC=CCOC(C)C 1ffcebdd116c02bae4b2efc3a6b36695 [1,1,0,0,0,0|1,0,1]=4 830 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [1,1,0,0,0,0|1,0,0]=3 831 B7R0.4 CCCCNC(C)C 9cc424b21c3c2f75d1871abbaf0e1d28 [1,1,0,0,0,0|1,0,1]=4 832 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [1,1,0,0,0,0|1,0,1]=4 833 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [1,1,0,0,0,0|1,0,0]=3 834 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [1,1,0,0,0,0|1,0,0]=3 835 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [1,1,0,0,0,0|0,0,0]=2 836 B7R0.4 CCCNCC(C)C 639a6b9872838fc9d4295ca1293ac6f5 [1,1,0,0,0,0|1,0,1]=4 837 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [1,1,0,0,0,0|1,0,1]=4 838 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [1,1,0,0,0,0|1,0,1]=4 839 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [1,1,0,0,0,0|1,0,1]=4 840 B7R0.4 CCCNC[N+](=O)[O-] 419587d101301b41277d69884923c893 [1,1,0,0,0,0|1,0,1]=4 841 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [1,1,0,0,0,0|1,0,0]=3 842 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [1,1,0,0,0,0|1,0,0]=3 843 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [1,1,0,0,0,0|0,0,0]=2 844 B7R0.4 CCCOCC(=S)N de4cf6b87e1a0924ce6659273b2f578f [1,1,0,0,0,0|1,1,0]=4 845 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [1,1,0,0,0,0|1,0,1]=4 846 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [1,1,0,0,0,0|1,0,0]=3 847 B7R0.4 CCCOC[N+](=O)[O-] 57fc1d5897b3bb3312e1a8c9c07caf8c [1,1,0,0,0,0|1,0,1]=4 848 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [1,1,0,0,0,0|1,0,0]=3 849 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [1,1,0,0,0,0|0,0,0]=2 850 B7R0.4 CCNCCC(=S)N 76a84de3aae7ce57b9732b2228d88da8 [1,1,0,0,0,0|1,1,0]=4 851 B7R0.4 CCNCCC(C)C 2bf33aa7c5d7ca27e591c3649dacf1c3 [1,1,0,0,0,0|1,0,1]=4 852 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [1,1,0,0,0,0|1,0,1]=4 853 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [1,1,0,0,0,0|2,0,0]=4 854 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [1,1,0,0,0,0|1,0,0]=3 855 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [1,1,0,0,0,0|1,0,1]=4 856 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [1,1,0,0,0,0|1,0,1]=4 857 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [1,1,0,0,0,0|1,0,0]=3 858 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [1,1,0,0,0,0|1,0,0]=3 859 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [1,1,0,0,0,0|0,0,0]=2 860 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [1,1,0,0,0,0|1,0,1]=4 861 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [1,1,0,0,0,0|2,0,0]=4 862 B7R0.4 CCOCC[N+](=O)[O-] 8e5e0c25af9383a49962ecbafeaf1cdb [1,1,0,0,0,0|1,0,1]=4 863 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [1,1,0,0,0,0|2,0,0]=4 864 B7R0.4 CCOCNC(=O)N 7f110a3bce734439d6da5de9a8afdb1c [1,1,0,0,0,0|2,0,0]=4 865 B7R0.4 CN(C)CCNC=O f6c5ad5f38b9716c3e69f7010da88e20 [1,1,0,0,0,0|1,0,0]=3 866 B7R0.4 CN(C)CCNCO bd0d691a6fbaf02bba808128b7b4eb38 [1,1,0,0,0,0|1,0,1]=4 867 B7R0.4 CN(C)CNCCO da608adf367147e04fa4316e70ab8593 [1,1,0,0,0,0|1,0,1]=4 868 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [1,1,0,0,0,0|2,0,0]=4 869 B7R0.4 COCCNC(C)C 0e10ac0a5c18c9b5426d9b26a3199f23 [1,1,0,0,0,0|1,0,1]=4 870 B7R0.4 COCCOC(C)C 66ff9033a5dadbe3413ec342d9a7c9fe [1,1,0,0,0,0|1,0,1]=4 871 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [1,1,0,0,0,0|2,0,0]=4 872 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [1,1,0,0,0,0|2,0,0]=4 873 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [1,1,0,0,0,0|1,0,0]=3 874 B7R0.4 COCNCC(C)C 8a41f842449ec7e26a630827b8975a34 [1,1,0,0,0,0|1,0,1]=4 875 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [1,1,0,0,0,0|2,0,0]=4 876 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [1,1,0,0,0,0|2,0,0]=4 877 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [1,1,0,0,0,0|1,0,0]=3 878 B7R0.4 COCOCC(C)C 61a68151721001e97ead89f074e554c8 [1,1,0,0,0,0|1,0,1]=4 879 B7R0.4 COCOCS(=O)O 5b78f1d6000a1c6ff13d9dbfa3cb959d [1,1,0,0,0,0|2,0,0]=4 880 B7R0.4 CS(=O)CCNC=O 16cc205a7133a7d223ff6dc33bd772e5 [1,1,0,0,0,0|2,0,0]=4 881 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [1,1,0,0,0,0|2,0,0]=4 882 B7R0.4 CSCCNC(C)C 145dbc599c93a8d182d58abe78ded108 [1,1,0,0,0,0|2,0,0]=4 883 B7R0.4 CSCCOC(C)C 898b6e38b775cb6892ffe8b724ad6a1f [1,1,0,0,0,0|2,0,0]=4 884 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [1,1,0,0,0,0|2,0,0]=4 885 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [1,1,0,0,0,0|2,0,0]=4 886 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [1,1,0,0,0,0|1,0,0]=3 887 B7R0.4 CSCNCC(C)C af947b38f43b5b920a6aa47378596e00 [1,1,0,0,0,0|2,0,0]=4 888 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [1,1,0,0,0,0|2,0,0]=4 889 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [1,1,0,0,0,0|2,0,0]=4 890 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [1,1,0,0,0,0|1,0,0]=3 891 B7R0.4 CSCOCC(C)C 2e75b1421641e4cf6bcc7f6e6907b733 [1,1,0,0,0,0|2,0,0]=4 892 B7R0.4 CSCOCS(=O)O 10c14278cf265246d24f329a9e0b0189 [1,1,0,0,0,0|2,0,0]=4 893 B7R0.4 C[C@@H](F)COCC=O dfd322669411a585629980eb6b5be0dd [1,1,0,0,0,0|1,0,0]=3 894 B7R0.4 C[C@@H](O)CCNC=O 063b940170a2cb4a98efeca14a33a52e [1,1,0,0,0,0|1,0,0]=3 895 B7R0.4 C[C@@H](O)CCNCO 9ba5901b9598bb8b83a8e89d75299d06 [1,1,0,0,0,0|1,0,1]=4 896 B7R0.4 C[C@@H](O)CNCC=O ae52f375140c99168e4849031ee267c7 [1,1,0,0,0,0|1,0,0]=3 897 B7R0.4 C[C@@H](O)CNCCO baa562baabf5c8a48c20282a5a246002 [1,1,0,0,0,0|1,0,1]=4 898 B7R0.4 C[C@H](F)COCC=O 41a7eddb5d50f5c0a8a1cffec2a2d618 [1,1,0,0,0,0|1,0,0]=3 899 B7R0.4 C[C@H](O)CCNC=O cef20fefdcc1f37d90fc224277e1f868 [1,1,0,0,0,0|1,0,0]=3 900 B7R0.4 C[C@H](O)CCNCO 0826a81a1bc46286726529223d9bf47c [1,1,0,0,0,0|1,0,1]=4 901 B7R0.4 C[C@H](O)CNCC=O 58f727508ba2f4be3dc454ceda8497a8 [1,1,0,0,0,0|1,0,0]=3 902 B7R0.4 C[C@H](O)CNCCO da7e3a0fa5cde405013af45ae4f5815a [1,1,0,0,0,0|1,0,1]=4 903 B7R0.4 N#CCNCC(=O)O 809e9a9d58d178eb22e9b3ea8c029b46 [1,1,0,0,0,0|1,0,1]=4 904 B7R0.4 N#CCOCC(=O)O f440efea3522112d8965a680edd84309 [1,1,0,0,0,0|1,0,1]=4 905 B7R0.4 N#CNCCC(=O)O aa8f36504cb81f27d3e027833d30b74a [1,1,0,0,0,0|1,0,1]=4 906 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [1,1,0,0,0,0|2,0,0]=4 907 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [1,1,0,0,0,0|2,0,0]=4 908 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [1,1,0,0,0,0|2,0,0]=4 909 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [1,1,0,0,0,0|2,0,0]=4 910 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [1,1,0,0,0,0|2,0,0]=4 911 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [1,1,0,0,0,0|2,0,0]=4 912 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [1,1,0,0,0,0|2,0,0]=4 913 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [1,1,0,0,0,0|2,0,0]=4 914 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [1,1,0,0,0,0|2,0,0]=4 915 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [1,1,0,0,0,0|2,0,0]=4 916 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [1,1,0,0,0,0|1,0,0]=3 917 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [1,1,0,0,0,0|1,0,0]=3 918 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [1,1,0,0,0,0|1,0,0]=3 919 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [1,1,0,0,0,0|1,0,0]=3 920 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [1,1,0,0,0,0|1,0,0]=3 921 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [1,1,0,0,0,0|1,0,0]=3 922 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [1,1,0,0,0,0|1,0,0]=3 923 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [1,1,0,0,0,0|1,0,0]=3 924 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [1,1,0,0,0,0|1,0,0]=3 925 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [1,1,0,0,0,0|1,0,0]=3 926 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [1,1,0,0,0,0|1,0,1]=4 927 B7R0.4 O=CCNCC(F)F 824b7b6840181b3cfa0b763b1d812fba [1,1,0,0,0,0|2,0,0]=4 928 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [1,1,0,0,0,0|1,0,1]=4 929 B7R0.4 O=CCOCC(F)F e1093cd74239d1a778019e251c691d5f [1,1,0,0,0,0|2,0,0]=4 930 B7R0.4 O=CNCCC(F)F 877595b7c20a3f088e215ffd3de33ece [1,1,0,0,0,0|2,0,0]=4 931 B7R0.4 O=S(O)CCNCF 5944b9373ff00d58b6529129c165d8a2 [1,1,0,0,0,0|2,0,0]=4 932 B7R0.4 O=S(O)CCNCO fb9e10441f05965bf0dcfe0aab296669 [1,1,0,0,0,0|2,0,0]=4 933 B7R0.4 O=S(O)COCCF c36497384bf0c1557cb58aa4b3a78d7a [1,1,0,0,0,0|2,0,0]=4 934 B7R0.4 O=S(O)COCCS 210a74b93542982df908b08eade068db [1,1,0,0,0,0|2,0,0]=4 935 B7R0.5 C=CCN(C)C(C)C 96de01368c533ec0e3507154958af2ed [1,1,0,0,0,0|2,0,0]=4 936 B7R0.5 CC(C)C(C)NC=O 4e819ff0160e7ed0f2ff22f1b3980c8f [1,1,0,0,0,0|1,0,0]=3 937 B7R0.5 CC(C)C(C)NCO 3e5c534ac08ff52ad797b9ecde6db54e [1,1,0,0,0,0|1,0,1]=4 938 B7R0.5 CC(C)N(C)CC=O dce9ec45ecad4267effdc3296bdfc642 [1,1,0,0,0,0|1,0,0]=3 939 B7R0.5 CC(C)N(C)CCO 81a28f5ee4f12e11b2d2f617ef1d3581 [1,1,0,0,0,0|1,0,1]=4 940 B7R0.5 CC(C)[C@@H](C)NC=O 83a0d0bfb3b7ec5a070ad221a7115b67 [1,1,0,0,0,0|1,0,0]=3 941 B7R0.5 CC(C)[C@@H](C)NCO dae9283d092fb775f557bbf40fd5342a [1,1,0,0,0,0|1,0,1]=4 942 B7R0.5 CC(C)[C@H](C)NC=O bcc2ba4727ee5d240548f8fc29a1480b [1,1,0,0,0,0|1,0,0]=3 943 B7R0.5 CC(C)[C@H](C)NCO 8adad5810c92a16d836b9deea9f0a802 [1,1,0,0,0,0|1,0,1]=4 944 B7R0.5 CC(NCF)C(=O)O 678d57d218e04263cf06f7d55d31cd1d [1,1,0,0,0,0|2,0,0]=4 945 B7R0.5 CC(NCO)C(=O)O fe4a7856b889669392c300fb3cd4873c [1,1,0,0,0,0|2,0,0]=4 946 B7R0.5 CC(O)C(C)NC=O 260810e8bba0286df97574f1b44d4d22 [1,1,0,0,0,0|2,0,0]=4 947 B7R0.5 CC(OCF)C(=O)O 98938b6366d5b1644ffb60bc89cae3d5 [1,1,0,0,0,0|2,0,0]=4 948 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [1,1,0,0,0,0|2,0,0]=4 949 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [1,1,0,0,0,0|2,0,0]=4 950 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [1,1,0,0,0,0|1,0,0]=3 951 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [1,1,0,0,0,0|1,0,0]=3 952 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [1,1,0,0,0,0|2,0,0]=4 953 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [1,1,0,0,0,0|1,0,0]=3 954 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [1,1,0,0,0,0|2,0,0]=4 955 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [1,1,0,0,0,0|1,0,0]=3 956 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [1,1,0,0,0,0|2,0,0]=4 957 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [1,1,0,0,0,0|2,0,0]=4 958 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [1,1,0,0,0,0|1,0,0]=3 959 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [1,1,0,0,0,0|2,0,0]=4 960 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [1,1,0,0,0,0|1,0,0]=3 961 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [1,1,0,0,0,0|2,0,0]=4 962 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [1,1,0,0,0,0|1,0,0]=3 963 B7R0.5 C[C@@H](NCF)C(=O)O 17fa37c81497338871dce635035053b9 [1,1,0,0,0,0|2,0,0]=4 964 B7R0.5 C[C@@H](NCO)C(=O)O a97b9962f90d67259e383605fc714644 [1,1,0,0,0,0|2,0,0]=4 965 B7R0.5 C[C@@H](OCF)C(=O)O eca3562769119aefebca30b8cb46ef3d [1,1,0,0,0,0|2,0,0]=4 966 B7R0.5 C[C@H](NCF)C(=O)O 8f95fb8302879a9840726de50eb63034 [1,1,0,0,0,0|2,0,0]=4 967 B7R0.5 C[C@H](NCO)C(=O)O 22dff04db3c7b130eddc4a545a3e505d [1,1,0,0,0,0|2,0,0]=4 968 B7R0.5 C[C@H](OCF)C(=O)O 3b1dcb29a34b79a18541896ae618cad0 [1,1,0,0,0,0|2,0,0]=4 969 B7R0.5 O=C(O)C(O)NCF debbdbf9e1d3d8838357ca1b62835c9a [1,1,0,0,0,0|2,0,0]=4 970 B7R0.5 O=C(O)C(O)NCO 6aca03582d286fba98508921a1d70ae3 [1,1,0,0,0,0|2,0,0]=4 971 B7R0.8 C=CCNC(C)(C)C 6c0b812000d6c6a48de43a4a3f837f6a [1,1,0,0,0,0|2,0,0]=4 972 B7R0.8 CC(C)(C)CNC=O 62263fecd6dfd3bbe3846c082198510b [1,1,0,0,0,0|1,0,0]=3 973 B7R0.8 CC(C)(C)CNCO c1ca679419b7e4db6816982a0d672727 [1,1,0,0,0,0|1,0,1]=4 974 B7R0.8 CC(C)(C)NCC=O 84f91e0185bc7a8cbf173006cc00a31e [1,1,0,0,0,0|1,0,0]=3 975 B7R0.8 CC(C)(C)NCCO 75b47887fe68bbe774c0a4c47f9d7af9 [1,1,0,0,0,0|1,0,1]=4 976 B7R0.8 CC(C)(O)CNC=O 342a9b6d29541cfeadb382656f3815a5 [1,1,0,0,0,0|1,0,0]=3 977 B7R0.8 CC(C)(O)CNCO d699f26def379d72c9f3d780e8ba9c29 [1,1,0,0,0,0|1,0,1]=4 978 B7R0.8 CC(F)(F)CNC=O 98b7d4b4560412215082fc8ac3d2ca18 [1,1,0,0,0,0|2,0,0]=4 979 B7R0.8 CCNCS(=O)(=O)O bbcfc5d6d557b34dea0908a35a8ee7e3 [1,1,0,0,0,0|2,0,0]=4 980 B7R0.9 CC(=O)NC(C)(C)C a1c7999946c2b3954cecc4a7e85b6160 [0,1,0,0,1,0|2,0,0]=4 981 B7R0.16 CC(=O)N(C)C(C)C 68e786e7c5c4f60e8b7c36108316ab9e [0,1,0,0,1,0|2,0,0]=4 982 B9R0.1 C#CC(=O)NCCC(C)C ab400f6b7166fed0666f6daf0c7c788f [0,1,0,0,0,1|1,0,0]=3 983 B9R0.1 C#CC(=O)NCCC(C)O 0a271e484191d63957d29a982cdbb6de [0,1,0,0,0,1|2,0,0]=4 984 B9R0.1 C#CC(=O)NCCN(C)C 0503af70339a68adb9f10d3d4c78e94f [0,1,0,0,0,1|2,0,0]=4 985 B9R0.1 C#CC(=O)NCC[C@@H](C)O 6ee57ba67d49f2c5ef58dcf3b74a20db [0,1,0,0,0,1|2,0,0]=4 986 B9R0.1 C#CC(=O)NCC[C@H](C)O 191129d5b02480ef54c830bc828fe028 [0,1,0,0,0,1|2,0,0]=4 987 B9R0.1 C#CC(C)NCCC(=O)C ac667b8f4ffa52e68d0af30ae7a4599b [0,1,0,0,0,1|1,0,1]=4 988 B9R0.1 C#CC(C)NCCC(=O)N bb5498e6f5daa83225410874de2d4bb3 [0,1,0,0,0,1|1,0,1]=4 989 B9R0.1 C#CC(C)NCCC(=O)O b5fa8c47938cc1ab8b71133a233a8712 [0,1,0,0,0,1|0,0,1]=3 990 B9R0.1 C#CC(C)NCCS(=O)O 756f55e29876956058968cdec02eaf78 [0,1,0,0,0,1|1,0,1]=4 991 B9R0.1 C#CC(C)OCCC(=O)C 4e094f4db2dd264c41b7da02528b8deb [0,1,0,0,0,1|1,0,1]=4 992 B9R0.1 C#CC(C)OCCC(=O)N 493f278de5ee31d2b517f0f21caf9b31 [0,1,0,0,0,1|1,0,1]=4 993 B9R0.1 C#CC(C)OCCC(=O)O ca456cda53aab7a3e9ddc1555a141e4b [0,1,0,0,0,1|0,0,1]=3 994 B9R0.1 C#C[C@@H](C)NCCC(=O)C 0c1237cf3962727bf4a99c757e2cf33b [0,1,0,0,0,1|1,0,1]=4 995 B9R0.1 C#C[C@@H](C)NCCC(=O)N 5665d61a5c0ef83ba7afa5af32b539dd [0,1,0,0,0,1|1,0,1]=4 996 B9R0.1 C#C[C@@H](C)NCCC(=O)O 2c3e5d536ee20bb10e4a276f986c03f0 [0,1,0,0,0,1|0,0,1]=3 997 B9R0.1 C#C[C@@H](C)OCCC(=O)C 7e586dd88e16e7dd536fb64f2b8dd52b [0,1,0,0,0,1|1,0,1]=4 998 B9R0.1 C#C[C@@H](C)OCCC(=O)N 95b4a4115d66e21038d7baf157fdcad3 [0,1,0,0,0,1|1,0,1]=4 999 B9R0.1 C#C[C@@H](C)OCCC(=O)O 5e9b30e37e8c265f10c7585c2f2ca95a [0,1,0,0,0,1|0,0,1]=3 1000 B9R0.1 C#C[C@H](C)NCCC(=O)C 318d7a262b86ea661eb7ce21f0740553 [0,1,0,0,0,1|1,0,1]=4 1001 B9R0.1 C#C[C@H](C)NCCC(=O)N 6c010dc5b76fd46ef718b65cee87af09 [0,1,0,0,0,1|1,0,1]=4 1002 B9R0.1 C#C[C@H](C)NCCC(=O)O cc5bdbda6a0b246c6e6e23c2baac79c5 [0,1,0,0,0,1|0,0,1]=3 1003 B9R0.1 C#C[C@H](C)OCCC(=O)C 7e08e889f3f187ec5b8f08b81e2918a3 [0,1,0,0,0,1|1,0,1]=4 1004 B9R0.1 C#C[C@H](C)OCCC(=O)N 5a8e4cbb98ad55e206166c46d17a3a96 [0,1,0,0,0,1|1,0,1]=4 1005 B9R0.1 C#C[C@H](C)OCCC(=O)O 017cc2bf4609698c2e4663c93f9a5f21 [0,1,0,0,0,1|0,0,1]=3 1006 B9R0.1 C/C(=C\I)/COCC(=O)O f0d281ce2da52f078eed6df8efd49932 [0,1,0,0,0,1|0,0,2]=4 1007 B9R0.1 C/C(=C\I)/COCC(C)C 412b70cc50ebc162fbd4308d2c8474a8 [0,1,0,0,0,1|2,0,0]=4 1008 B9R0.1 C=C(Br)CCOC(C)CC 091e084d3b6d1f82050c012325f204dd [0,1,0,0,0,1|2,0,0]=4 1009 B9R0.1 C=C(Br)CNCC(C)CC 981fc4bb74e598a40b1ff531d96d951a [0,1,0,0,0,1|2,0,0]=4 1010 B9R0.1 C=C(Br)CNCC(C)CO 138955fd3a1352de69465439f67b9ac4 [0,1,0,0,0,1|2,0,0]=4 1011 B9R0.1 C=C(Br)CNCC(C)OC a89ab7ab1fc55d12fa222457b93ca8e5 [0,1,0,0,0,1|2,0,0]=4 1012 B9R0.1 C=C(Br)CNC[C@@H](C)CC 3d05347509c6f7b0b8ea2128766d5683 [0,1,0,0,0,1|2,0,0]=4 1013 B9R0.1 C=C(Br)CNC[C@@H](C)CO 44c8f0ac320f1e51d8961998018681f6 [0,1,0,0,0,1|2,0,0]=4 1014 B9R0.1 C=C(Br)CNC[C@@H](C)OC c56bb79ad4269973a5f65872fb7281b6 [0,1,0,0,0,1|2,0,0]=4 1015 B9R0.1 C=C(Br)CNC[C@H](C)CC 482805fb21b45b39bbaeb88c7242fa36 [0,1,0,0,0,1|2,0,0]=4 1016 B9R0.1 C=C(Br)CNC[C@H](C)CO a53ec75fa0eb3ac4b773d1ade9f01bb6 [0,1,0,0,0,1|2,0,0]=4 1017 B9R0.1 C=C(Br)CNC[C@H](C)OC 8ed3e8e530fcfd743d73a68203443796 [0,1,0,0,0,1|2,0,0]=4 1018 B9R0.1 C=C(Br)COCC(C)CC e3c93140f7f9139cbd63ce3d8b91006f [0,1,0,0,0,1|2,0,0]=4 1019 B9R0.1 C=C(Br)COCC(C)OC c1c0c947b0b02377d1514d2c971e3784 [0,1,0,0,0,1|2,0,0]=4 1020 B9R0.1 C=C(Br)COC[C@@H](C)CC 80766ee122c1e21cd3669d6da61c1402 [0,1,0,0,0,1|2,0,0]=4 1021 B9R0.1 C=C(Br)COC[C@@H](C)OC 01a95b9c807c653fbd1d1a579637a74b [0,1,0,0,0,1|2,0,0]=4 1022 B9R0.1 C=C(Br)COC[C@H](C)CC 30d0d8ee9b254c321f85f05ca5650727 [0,1,0,0,0,1|2,0,0]=4 1023 B9R0.1 C=C(Br)COC[C@H](C)OC 3a3466b26d295ac7522fb823d875c85c [0,1,0,0,0,1|2,0,0]=4 1024 B9R0.1 C=C(C#N)CNCC(C)C 326ab13d3589e811eca0a0f3393cd2ab [0,1,0,0,0,1|2,0,0]=4 1025 B9R0.1 C=C(C#N)COCC(C)C 7f88fc1c1e7994be26ecc0098499424b [0,1,0,0,0,1|2,0,0]=4 1026 B9R0.1 C=C(C)CCNC(=O)CO 34d93ab5ed36ace089117a109aed2076 [0,1,0,0,0,1|0,0,2]=4 1027 B9R0.1 C=C(C)CCNC(C)CC 3e59254196aed313540af75c07c39315 [0,1,0,0,0,1|2,0,0]=4 1028 B9R0.1 C=C(C)CCNC(C)CO ac966c28a89582f8060cba5a7301f2b8 [0,1,0,0,0,1|2,0,0]=4 1029 B9R0.1 C=C(C)CCN[C@@H](C)CC dd5db3d0315db4cd17c73027333e9aec [0,1,0,0,0,1|2,0,0]=4 1030 B9R0.1 C=C(C)CCN[C@@H](C)CO 273de8c1bb753e4c3d8457c3193e87fe [0,1,0,0,0,1|2,0,0]=4 1031 B9R0.1 C=C(C)CCN[C@H](C)CC 17f8689567b0cd30665489930711fefc [0,1,0,0,0,1|2,0,0]=4 1032 B9R0.1 C=C(C)CCN[C@H](C)CO d884b29f564b107dd51d2cadd9b6f1ec [0,1,0,0,0,1|2,0,0]=4 1033 B9R0.1 C=C(C)CCOC(C)CC c1ab39b33b060b66872a7a99cb42b49c [0,1,0,0,0,1|2,0,0]=4 1034 B9R0.1 C=C(C)CCOC(C)CF 648cb84bc50bac79dac97c94941ff4a4 [0,1,0,0,0,1|2,0,0]=4 1035 B9R0.1 C=C(C)CCOC(C)CS 5032e01b8cb20f32da90ad67265daf4a [0,1,0,0,0,1|2,0,0]=4 1036 B9R0.1 C=C(C)CCO[C@@H](C)CC 1a113e19745c74a32b97d0777a65f856 [0,1,0,0,0,1|2,0,0]=4 1037 B9R0.1 C=C(C)CCO[C@H](C)CC 10f668905abfc9df65d3d95b2b060ce8 [0,1,0,0,0,1|2,0,0]=4 1038 B9R0.1 C=C(C)CCO[C@H](C)CS 44446d5c13086cb9a373d0cb6e7f9771 [0,1,0,0,0,1|2,0,0]=4 1039 B9R0.1 C=C(C)CNCC(=O)CO 247e9010bc9651cac50f307b86ba439e [0,1,0,0,0,1|0,0,2]=4 1040 B9R0.1 C=C(C)CNCC(=O)NO 6715f0dd461108561c9ed13517cd8037 [0,1,0,0,0,1|0,0,2]=4 1041 B9R0.1 C=C(C)CNCC(=O)OC c333e980167d9fefdd828559eb49e425 [0,1,0,0,0,1|0,0,2]=4 1042 B9R0.1 C=C(C)CNCC(C)CC d4f1c6767e155a1fd81f2d6f4b177c23 [0,1,0,0,0,1|2,0,0]=4 1043 B9R0.1 C=C(C)CNCC(C)CO 05da4e225623f211434d4043e1d69ff5 [0,1,0,0,0,1|2,0,0]=4 1044 B9R0.1 C=C(C)CNCC(C)OC 04cfe500627644f332eaa2e4bb445e1d [0,1,0,0,0,1|2,0,0]=4 1045 B9R0.1 C=C(C)CNC[C@@H](C)CC 6206249324b67e9f83a35f5c528b1179 [0,1,0,0,0,1|2,0,0]=4 1046 B9R0.1 C=C(C)CNC[C@@H](C)CO 45e279a683a8337a2b143e6ed40eb219 [0,1,0,0,0,1|2,0,0]=4 1047 B9R0.1 C=C(C)CNC[C@@H](C)OC 0c3ced84bed29b2594b9f97d556d9e0d [0,1,0,0,0,1|2,0,0]=4 1048 B9R0.1 C=C(C)CNC[C@H](C)CC cb261ab2a6f6774f97476ebf10cee194 [0,1,0,0,0,1|2,0,0]=4 1049 B9R0.1 C=C(C)CNC[C@H](C)CO 5aacfac0c9d6f7bf9c175c391e010b16 [0,1,0,0,0,1|2,0,0]=4 1050 B9R0.1 C=C(C)CNC[C@H](C)OC 84815574843b6d7371266807544a8e31 [0,1,0,0,0,1|2,0,0]=4 1051 B9R0.1 C=C(C)COCC(=O)OC ef2f938506a463bb6101f9cac476c9e5 [0,1,0,0,0,1|0,0,2]=4 1052 B9R0.1 C=C(C)COCC(C)CC 3adee05156cf1068a7c305dcd2622cc9 [0,1,0,0,0,1|2,0,0]=4 1053 B9R0.1 C=C(C)COCC(C)OC 518ef54c31c0c6060af0415ebaee730d [0,1,0,0,0,1|2,0,0]=4 1054 B9R0.1 C=C(C)COC[C@@H](C)CC a9f511de537b539852049654668eb445 [0,1,0,0,0,1|2,0,0]=4 1055 B9R0.1 C=C(C)COC[C@@H](C)OC 5f0e86081bc9c13a78c9154d96955de0 [0,1,0,0,0,1|2,0,0]=4 1056 B9R0.1 C=C(C)COC[C@H](C)CC 7d2830ec8db581fdaca9ec3884531144 [0,1,0,0,0,1|2,0,0]=4 1057 B9R0.1 C=C(C)COC[C@H](C)OC d98471042a63df89bdebb38a27a9b624 [0,1,0,0,0,1|2,0,0]=4 1058 B9R0.1 C=C(C=O)OCCC(C)C 993d6c44e913d202317615362ca5bde2 [0,1,0,0,0,1|1,0,0]=3 1059 B9R0.1 C=C(C=O)OCCN(C)C 85bf3439d3e09a97e501e204cc543638 [0,1,0,0,0,1|2,0,0]=4 1060 B9R0.1 C=C(C=O)OCOC(C)C 3d01d89d9883b6417edba80ab8561411 [0,1,0,0,0,1|2,0,0]=4 1061 B9R0.1 C=C(CC)CNCC(=O)O 3494cd583a0b63f9a90da7dbe9a93496 [0,1,0,0,0,1|0,0,2]=4 1062 B9R0.1 C=C(CC)CNCC(C)C 70e2d15e6a6ad9de05cec0c1a87983c3 [0,1,0,0,0,1|2,0,0]=4 1063 B9R0.1 C=C(CC)COCC(=O)O ee3b330f9d46b7ad6bddc2068ae1158b [0,1,0,0,0,1|0,0,2]=4 1064 B9R0.1 C=C(CC)COCC(C)C 0cc98b8b2f556725175a011e62258e27 [0,1,0,0,0,1|2,0,0]=4 1065 B9R0.1 C=C(CNCC(=O)O)OC f4fd4a44109d7013bab3a36a299e88b2 [0,1,0,0,0,1|0,0,2]=4 1066 B9R0.1 C=C(CNCC(C)C)OC bf9b4f59f58eaec222a3a6cdd8a92bd5 [0,1,0,0,0,1|1,0,0]=3 1067 B9R0.1 C=C(CNCC(C)O)OC f2ce10bc8c3506268b8a2dc5bfec215d [0,1,0,0,0,1|2,0,0]=4 1068 B9R0.1 C=C(CNC[C@@H](C)O)OC 1a33465ce3ac8fff2511c4f5b7f1135e [0,1,0,0,0,1|2,0,0]=4 1069 B9R0.1 C=C(CNC[C@H](C)O)OC 1329b71bf6831cbec9b01177a58eedc3 [0,1,0,0,0,1|2,0,0]=4 1070 B9R0.1 C=C(CO)CNCC(=O)O cc7acc22e8e7c17a96eec1e4e62087c5 [0,1,0,0,0,1|0,0,2]=4 1071 B9R0.1 C=C(CO)CNCC(C)C c5e0af2295dac523f48c52a0b4209519 [0,1,0,0,0,1|1,0,0]=3 1072 B9R0.1 C=C(CO)CNCC(C)O 666f2527c598e5fbb83b03550e519004 [0,1,0,0,0,1|2,0,0]=4 1073 B9R0.1 C=C(CO)CNC[C@@H](C)O f2602544efecf528f6441846f88d8ac1 [0,1,0,0,0,1|2,0,0]=4 1074 B9R0.1 C=C(CO)CNC[C@H](C)O 54962f4550e30d9a9ef44166cc6dca06 [0,1,0,0,0,1|2,0,0]=4 1075 B9R0.1 C=C(COCC(=O)O)OC f9327aabdff60543e9573117092b2bbe [0,1,0,0,0,1|0,0,2]=4 1076 B9R0.1 C=C(COCC(C)C)OC 521b02cb87efe41e53290b0868255ca0 [0,1,0,0,0,1|1,0,0]=3 1077 B9R0.1 C=C(COCC(C)F)OC 5bda66444f5cbac6f36df2befdc0fd32 [0,1,0,0,0,1|2,0,0]=4 1078 B9R0.1 C=C(COCC(C)S)OC 15c67f9238e46fcb84ffafd4d0a0a825 [0,1,0,0,0,1|2,0,0]=4 1079 B9R0.1 C=C(COC[C@@H](C)F)OC 18b2024a3c402946f10b1f62ac3e1a64 [0,1,0,0,0,1|2,0,0]=4 1080 B9R0.1 C=C(COC[C@H](C)F)OC 754e32c805ca08c867e9f5b1c04c66fa [0,1,0,0,0,1|2,0,0]=4 1081 B9R0.1 C=C(Cl)CNCC(C)CC 11c5950a5d91f0f0029477709543a1de [0,1,0,0,0,1|2,0,0]=4 1082 B9R0.1 C=C(Cl)CNCC(C)CO 3159e3e19da8b64b4efd3897a1187e4f [0,1,0,0,0,1|2,0,0]=4 1083 B9R0.1 C=C(Cl)CNC[C@@H](C)CC 98cafe9df3b2af14b613988adbe5a405 [0,1,0,0,0,1|2,0,0]=4 1084 B9R0.1 C=C(Cl)CNC[C@@H](C)OC 00b4ededaf8819f00bd685e55c30335d [0,1,0,0,0,1|2,0,0]=4 1085 B9R0.1 C=C(Cl)CNC[C@H](C)CO ce0a35898f962dec78e5d895b9114c32 [0,1,0,0,0,1|2,0,0]=4 1086 B9R0.1 C=C(Cl)CNC[C@H](C)OC 67c2215c7bb2eef4ef3488c4153454af [0,1,0,0,0,1|2,0,0]=4 1087 B9R0.1 C=C(Cl)COCC(C)CC 8e12aa49282ca4c7aa5e587f6776b5d0 [0,1,0,0,0,1|2,0,0]=4 1088 B9R0.1 C=C(Cl)COCC(C)OC d604a112fe3ca1db66ad92156250ff27 [0,1,0,0,0,1|2,0,0]=4 1089 B9R0.1 C=C(Cl)COC[C@@H](C)CC d6c8c8ec8af5460477d1adf7526bd82b [0,1,0,0,0,1|2,0,0]=4 1090 B9R0.1 C=C(Cl)COC[C@@H](C)OC d2cc94b0c0e45ad4fca24dbd63e2afd6 [0,1,0,0,0,1|2,0,0]=4 1091 B9R0.1 C=C(Cl)COC[C@H](C)CC 26b9477bafe654353a35ccf76484b54b [0,1,0,0,0,1|2,0,0]=4 1092 B9R0.1 C=C(Cl)COC[C@H](C)OC a2396c4a3d8654cfcabaca2644da4aa5 [0,1,0,0,0,1|2,0,0]=4 1093 B9R0.1 C=C(F)CNCC(C)CO be2fff29639da750b9d993bffaeaaa8f [0,1,0,0,0,1|2,0,0]=4 1094 B9R0.1 C=C(F)CNC[C@@H](C)OC 10505c12641cbb754a9112c052fa4996 [0,1,0,0,0,1|2,0,0]=4 1095 B9R0.1 C=C(F)CNC[C@H](C)CO 43f2d0be1092917bf548bb388952e9fc [0,1,0,0,0,1|2,0,0]=4 1096 B9R0.1 C=C(F)CNC[C@H](C)OC 89d63792bee27ca591826b18f249fa4d [0,1,0,0,0,1|2,0,0]=4 1097 B9R0.1 C=C(F)COCC(C)CC e971ce5b3a2f222771833358944ad7b1 [0,1,0,0,0,1|2,0,0]=4 1098 B9R0.1 C=C(F)COCC(C)OC 3518f4589aa6aad04f443ff748e90985 [0,1,0,0,0,1|2,0,0]=4 1099 B9R0.1 C=C(F)COC[C@@H](C)CC 8754031d741b3a81e01246240a2af29d [0,1,0,0,0,1|2,0,0]=4 1100 B9R0.1 C=C(F)COC[C@@H](C)OC 70cd5c24b2020faf8b8233d94ec6ea29 [0,1,0,0,0,1|2,0,0]=4 1101 B9R0.1 C=C(F)COC[C@H](C)CC 053b257de75e3ab9fbda44f561cf7b93 [0,1,0,0,0,1|2,0,0]=4 1102 B9R0.1 C=C(F)COC[C@H](C)OC 9643a81749eec6bddd70ad49c9298376 [0,1,0,0,0,1|2,0,0]=4 1103 B9R0.1 C=C(I)COCC(C)CC 6a37480b984d6a3a88d2a97c430f900f [0,1,0,0,0,1|2,0,0]=4 1104 B9R0.1 C=C(I)COCC(C)OC 68fec4f4d6ca7e2f54b08d5b758fab56 [0,1,0,0,0,1|2,0,0]=4 1105 B9R0.1 C=C(I)COC[C@@H](C)CC ebcd6aead02ff5da05d6692ec4f20a14 [0,1,0,0,0,1|2,0,0]=4 1106 B9R0.1 C=C(I)COC[C@@H](C)OC 513706983257b4c468b3d7421a90544e [0,1,0,0,0,1|2,0,0]=4 1107 B9R0.1 C=C(I)COC[C@H](C)CC 7cecb5a281b9320016babbf18a636c32 [0,1,0,0,0,1|2,0,0]=4 1108 B9R0.1 C=C(I)COC[C@H](C)OC 424c890a86e9828a1ffe5ad315eeb10c [0,1,0,0,0,1|2,0,0]=4 1109 B9R0.1 C=CC(=O)NCCC(C)C 3eac58699bc526229809032762dcd7ee [0,1,0,0,0,1|1,0,0]=3 1110 B9R0.1 C=CC(=O)NCCC(C)O 008a52cf2dca8e7c1e23b81639bb6755 [0,1,0,0,0,1|2,0,0]=4 1111 B9R0.1 C=CC(=O)NCCN(C)C e8f83fb1669b2c0e0d2e62077e01293a [0,1,0,0,0,1|2,0,0]=4 1112 B9R0.1 C=CC(=O)NCC[C@@H](C)O 28dba9c045f1f465900b10b663ac039a [0,1,0,0,0,1|2,0,0]=4 1113 B9R0.1 C=CC(=O)NCC[C@H](C)O 6c52302fd5dd8f1ddb807dd5e32c4406 [0,1,0,0,0,1|2,0,0]=4 1114 B9R0.1 C=CC(=O)NCOC(C)C 4c0cf72046612f7e7e8d27ee9bacd243 [0,1,0,0,0,1|2,0,0]=4 1115 B9R0.1 C=CC(C)COCC(=O)N ae9bc94dd26e7a18053afc948b9436c9 [0,1,0,0,0,1|1,0,1]=4 1116 B9R0.1 C=CC(C)COCC(=O)O b37de9a6da072d47f216f61c5cd125d6 [0,1,0,0,0,1|0,0,1]=3 1117 B9R0.1 C=CC(C)NCCC(=O)C 457f6d262ba13d08c71dcb593daa26f2 [0,1,0,0,0,1|1,0,1]=4 1118 B9R0.1 C=CC(C)NCCC(=O)N cfbfcca6230e3217dcae6bc69c125632 [0,1,0,0,0,1|1,0,1]=4 1119 B9R0.1 C=CC(C)NCCC(=O)O 79ff7d3cdb6746c9598fe1cfb61269b1 [0,1,0,0,0,1|0,0,1]=3 1120 B9R0.1 C=CC(C)NCCS(=O)O 41e77d0b9fb78d37ba8e984ea5643a86 [0,1,0,0,0,1|1,0,1]=4 1121 B9R0.1 C=CC(C)OCCC(=O)C dfb65db25ab8c59bf238c7e9df2821b1 [0,1,0,0,0,1|1,0,1]=4 1122 B9R0.1 C=CC(C)OCCC(=O)N 2a4682cec24a6b5042cd59f60759f4b9 [0,1,0,0,0,1|1,0,1]=4 1123 B9R0.1 C=CC(C)OCCC(=O)O 715e83dec8bd7b5ea255c0588e4ec66b [0,1,0,0,0,1|0,0,1]=3 1124 B9R0.1 C=CC(O)CNCC(=O)O d0b59efe1792f320492cea2216816851 [0,1,0,0,0,1|1,0,1]=4 1125 B9R0.1 C=CC(O)CNCC(C)C 338aa8c924f06c5274d86ba17f3164dd [0,1,0,0,0,1|1,0,1]=4 1126 B9R0.1 C=C[C@H](C)OCCC(=O)C 9bbd1cc0e46dfd5c6e8db01fc1773cb1 [0,1,0,0,0,1|1,0,1]=4 1127 B9R0.1 C=C[C@H](C)OCCC(=O)N a469ad7a9ee6069799852369b28bf27c [0,1,0,0,0,1|1,0,1]=4 1128 B9R0.1 C=C[C@H](C)OCCC(=O)O 713b61bf87b3acb53853822b10178bd4 [0,1,0,0,0,1|0,0,1]=3 1129 B9R0.1 CC(=CCNC(=O)CO)C 99de69a27f56e0717a5c36bd796a7f00 [0,1,0,0,0,1|0,0,2]=4 1130 B9R0.1 CC(=CI)COCC(=O)O d7f29fd9312a0373f092e69ba8eaa817 [0,1,0,0,0,1|0,0,2]=4 1131 B9R0.1 CC(=CI)COCC(C)C 0fd0e06ad6cce573da4519030431a8b9 [0,1,0,0,0,1|2,0,0]=4 1132 B9R0.1 CC(=O)CCNC(C)C#N 44728734b40103358aae0e5741482f76 [0,1,0,0,0,1|1,0,1]=4 1133 B9R0.1 CC(=O)CCNC(C)CO 01ba95f6b1e359cb3c703695e54af8f9 [0,1,0,0,0,1|1,0,0]=3 1134 B9R0.1 CC(=O)CCN[C@@H](C)CO cfee917e546e694eb8cfec1ddb21f4ff [0,1,0,0,0,1|1,0,0]=3 1135 B9R0.1 CC(=O)CCN[C@H](C)CO 6a8f8df3011cfcce7cd31192a422cdd8 [0,1,0,0,0,1|1,0,0]=3 1136 B9R0.1 CC(=O)CCOC(C)C=O cb160a994c939e385607c4106d0006ba [0,1,0,0,0,1|1,0,1]=4 1137 B9R0.1 CC(=O)CCOC(C)CF 2b40c92c280f522bdc6bcc23530c56f2 [0,1,0,0,0,1|1,0,0]=3 1138 B9R0.1 CC(=O)CCOC(C)CS 727af9312bf0bae1f3dfb371a20f5514 [0,1,0,0,0,1|1,0,0]=3 1139 B9R0.1 CC(=O)CCO[C@H](C)C=O 0cefdf85f806832833faf787e48b718b [0,1,0,0,0,1|1,0,1]=4 1140 B9R0.1 CC(=O)CCO[C@H](C)CS ca9c10e49fb951095de6ae1c1ca5c0e6 [0,1,0,0,0,1|1,0,0]=3 1141 B9R0.1 CC(=O)CNCC(=O)CO a884728253f1dbd88805a142b0c876b6 [0,1,0,0,0,1|1,0,1]=4 1142 B9R0.1 CC(=O)CNCC(C)C#N e8cf96da0757e23fec59bd9d9f21863b [0,1,0,0,0,1|1,0,1]=4 1143 B9R0.1 CC(=O)CNCC(C)CO 687573d47da7078f008452b6941cfbb6 [0,1,0,0,0,1|1,0,0]=3 1144 B9R0.1 CC(=O)CNCC(O)CF dae4f209c6741610d562bfbe54fd9b4b [0,1,0,0,0,1|2,0,0]=4 1145 B9R0.1 CC(=O)CNCC(O)CO 7df10622569579ec4e37135d617c20f8 [0,1,0,0,0,1|2,0,0]=4 1146 B9R0.1 CC(=O)CNC[C@@H](C)CO 83d4361a5af389dd1a51e847e0c228db [0,1,0,0,0,1|1,0,0]=3 1147 B9R0.1 CC(=O)CNC[C@@H](O)CO f38bd77162dcfb4e06fb2eb4600c9073 [0,1,0,0,0,1|2,0,0]=4 1148 B9R0.1 CC(=O)CNC[C@H](C)CO 0c7d13a9c50e9968d7e5477a482d94c3 [0,1,0,0,0,1|1,0,0]=3 1149 B9R0.1 CC(=O)CNC[C@H](O)CO 5a00c829e2ca3328b3583f6a763316af [0,1,0,0,0,1|2,0,0]=4 1150 B9R0.1 CC(=O)COCC(C)C#N e23de54c4c766c9dffac1e17f6f01f97 [0,1,0,0,0,1|1,0,1]=4 1151 B9R0.1 CC(=O)COCC(O)CO b5303e7df9e726b681ea5d404ed3bc97 [0,1,0,0,0,1|2,0,0]=4 1152 B9R0.1 CC(=O)COC[C@@H](O)CO 78cf96cbedfae3de09518ee1c5c9b9f8 [0,1,0,0,0,1|2,0,0]=4 1153 B9R0.1 CC(=O)COC[C@H](O)CO e9c68d561b4f4daa98b62962f8db89cb [0,1,0,0,0,1|2,0,0]=4 1154 B9R0.1 CC(=O)NCCC(=O)NO 7869db29b1010d2c8be4de04860ee1c2 [0,1,0,0,0,1|1,0,1]=4 1155 B9R0.1 CC(=O)NCCC(C)CO bebfc27f0403b0ff17a662d28cff0e43 [0,1,0,0,0,1|1,0,0]=3 1156 B9R0.1 CC(=O)NCCC(O)CO 6dba80410c8d6e60b084a12c9a16e519 [0,1,0,0,0,1|2,0,0]=4 1157 B9R0.1 CC(=O)NCC[C@@H](C)CO caf7a94637e8711be8cab6e4c356b0b6 [0,1,0,0,0,1|1,0,0]=3 1158 B9R0.1 CC(=O)OCNC(C)CO 76053288c472e8736169c869174d9dc3 [0,1,0,0,0,1|2,0,0]=4 1159 B9R0.1 CC(=O)OCN[C@@H](C)CO 68403b70a82968dbe1b7522f781c5509 [0,1,0,0,0,1|2,0,0]=4 1160 B9R0.1 CC(=O)OCN[C@H](C)CO 008f51ea2e0cae1cf2db292c7d138dfd [0,1,0,0,0,1|2,0,0]=4 1161 B9R0.1 CC(=O)OCOC(C)CF a5e979ebacdbe532aeb2dcf04f90f101 [0,1,0,0,0,1|2,0,0]=4 1162 B9R0.1 CC(=O)OCOC(C)CS 1fb13d69d3259da5f281e5d0f3dd8413 [0,1,0,0,0,1|2,0,0]=4 1163 B9R0.1 CC(=O)OCO[C@H](C)CS 0166b5f40ddcbd81555f2e3e10f08ecd [0,1,0,0,0,1|2,0,0]=4 1164 B9R0.1 CC(C#N)CNCC(=O)N 716a5c371f0394ba3b881b4597899b33 [0,1,0,0,0,1|1,0,1]=4 1165 B9R0.1 CC(C#N)CNCC(=O)O 690b9c42e94c9bde7fbf2cdbf8d4eca2 [0,1,0,0,0,1|0,0,1]=3 1166 B9R0.1 CC(C#N)COCC(=O)N c4d9afb3fd6472696d31c5b7739900a9 [0,1,0,0,0,1|1,0,1]=4 1167 B9R0.1 CC(C#N)COCC(=O)O 5e1e962d1c3a873fc728b08a62a84674 [0,1,0,0,0,1|0,0,1]=3 1168 B9R0.1 CC(C#N)COCS(=O)O 764f0f7a68861618296eb193f6a7e7d8 [0,1,0,0,0,1|1,0,1]=4 1169 B9R0.1 CC(C#N)NCCC(=O)N 1c753019a34642faba1d8d3cdffe039e [0,1,0,0,0,1|1,0,1]=4 1170 B9R0.1 CC(C#N)NCCC(=O)O a71e77ce50f1b855f7d576c5d6f6289e [0,1,0,0,0,1|0,0,1]=3 1171 B9R0.1 CC(C#N)NCCS(=O)O b6f20fbc78ab8e00b80e042d9328c637 [0,1,0,0,0,1|1,0,1]=4 1172 B9R0.1 CC(C)CCNC(=O)C=O 3e18bda81d0213cfda084da64572a73c [0,1,0,0,0,1|0,0,1]=3 1173 B9R0.1 CC(C)CCNC(=O)CF ae30f120fb51a70967c828ddab28084f [0,1,0,0,0,1|1,0,0]=3 1174 B9R0.1 CC(C)CCNC(=O)CO fccf2f1416923531307bedc30f22484d [0,1,0,0,0,1|0,0,0]=2 1175 B9R0.1 CC(C)CCNC(=O)CS 9b985f09b4180fe941275afc381f1265 [0,1,0,0,0,1|0,1,0]=3 1176 B9R0.1 CC(C)CCNC(C)C=O 3221f606f7956b43deb70e498d061682 [0,1,0,0,0,1|1,0,1]=4 1177 B9R0.1 CC(C)CCNC(C)CO aa430967dd331e3519a6dcdcfc13b090 [0,1,0,0,0,1|1,0,1]=4 1178 B9R0.1 CC(C)CCN[C@@H](C)CO 001e01f3546de52ffc9bebb68e24b6f7 [0,1,0,0,0,1|1,0,1]=4 1179 B9R0.1 CC(C)CCN[C@H](C)C=O 2c72716bb9100d915860d6fe0bb8b954 [0,1,0,0,0,1|1,0,1]=4 1180 B9R0.1 CC(C)CCN[C@H](C)CO 31f7661466d06c5fb902c8e44c148203 [0,1,0,0,0,1|1,0,1]=4 1181 B9R0.1 CC(C)CCOC(C)C=O a17976d3f6b33051782311e304dbeca6 [0,1,0,0,0,1|1,0,1]=4 1182 B9R0.1 CC(C)CCO[C@H](C)C=O dfcd411730780daa50a107e27e8788c3 [0,1,0,0,0,1|1,0,1]=4 1183 B9R0.1 CC(C)CNC/C(=C/Cl)/Cl 88fa2ea7e37c1f52d88ee3dbb8a426f5 [0,1,0,0,0,1|2,0,0]=4 1184 B9R0.1 CC(C)CNCC(=O)CO ee418b1e31d09b89331f9ca774457c43 [0,1,0,0,0,1|0,0,0]=2 1185 B9R0.1 CC(C)CNCC(=O)NO 135c365afbac52555b37c8c2533721ab [0,1,0,0,0,1|0,0,0]=2 1186 B9R0.1 CC(C)CNCC(C)CO 2a64f45bbf7f87898c449dde5e36c0b6 [0,1,0,0,0,1|1,0,1]=4 1187 B9R0.1 CC(C)CNCC(F)CO 0979b1d14e9cbfc4cc7d38e0a73905ca [0,1,0,0,0,1|1,0,1]=4 1188 B9R0.1 CC(C)CNCC(O)CF b6d9011de307a0ce6eed76decf038bc8 [0,1,0,0,0,1|1,0,1]=4 1189 B9R0.1 CC(C)CNCC(O)CO 70090963fc294f550f87723651f6534a [0,1,0,0,0,1|0,0,2]=4 1190 B9R0.1 CC(C)CNC[C@@H](C)CO 95362823e51b3806e49376eaf3a8805e [0,1,0,0,0,1|1,0,1]=4 1191 B9R0.1 CC(C)CNC[C@@H](F)CO 98d315fb9ffb69c107d70827115cce1d [0,1,0,0,0,1|1,0,1]=4 1192 B9R0.1 CC(C)CNC[C@@H](O)CO ff288feaf39d9e7defe59f5031593382 [0,1,0,0,0,1|0,0,2]=4 1193 B9R0.1 CC(C)CNC[C@H](C)CO 940c9a5067c16f348aef905a718c2be7 [0,1,0,0,0,1|1,0,1]=4 1194 B9R0.1 CC(C)CNC[C@H](F)CO 84205de913b42a2286a91c04e886a84b [0,1,0,0,0,1|1,0,1]=4 1195 B9R0.1 CC(C)CNC[C@H](O)CO ddf90ce95f81ac4c65caea793fcf3d10 [0,1,0,0,0,1|0,0,2]=4 1196 B9R0.1 CC(C)COC/C(=C/Cl)/Cl eb553da521c3c818dab05edcbd2c2f2c [0,1,0,0,0,1|2,0,0]=4 1197 B9R0.1 CC(C)COCC(O)CO eb8712e8913a9c688b35e925b2e5bbea [0,1,0,0,0,1|0,0,2]=4 1198 B9R0.1 CC(C)COC[C@@H](O)CO 4c6015ee7239cce21edd58afd8afe947 [0,1,0,0,0,1|0,0,2]=4 1199 B9R0.1 CC(C)COC[C@H](O)CO f0e46b188479763ee2ac8fd0426fbb01 [0,1,0,0,0,1|0,0,2]=4 1200 B9R0.1 CC(C)NCCC(=O)NO 82d2f393212433db94ed45a332a78d9e [0,1,0,0,0,1|0,0,0]=2 1201 B9R0.1 CC(C)NCCC(O)CO 49b1f2eeb94ad6141f31352b87c6f1d7 [0,1,0,0,0,1|0,0,2]=4 1202 B9R0.1 CC(C)NCC[C@@H](C)CO 0d44e2b3750a028fb6b8e0fd94d62e34 [0,1,0,0,0,1|1,0,1]=4 1203 B9R0.1 CC(C)OCCN(C)C=O 2dcb2fc4fd19abf044c53b767f997aad [0,1,0,0,0,1|2,0,0]=4 1204 B9R0.1 CC(C)OCCN(C)CO 18fedacccd282f58d67b6a5e88c46fb7 [0,1,0,0,0,1|2,0,0]=4 1205 B9R0.1 CC(C=O)NCCC(=O)N 0a497b65732dd54e85210165ecae12a6 [0,1,0,0,0,1|1,0,1]=4 1206 B9R0.1 CC(C=O)NCCC(=O)O c047f24fc3d15f3badbf76260054cc9f [0,1,0,0,0,1|0,0,1]=3 1207 B9R0.1 CC(C=O)NCCS(=O)O 6315fcac9ac91eb3ba34381bd1615fc2 [0,1,0,0,0,1|1,0,1]=4 1208 B9R0.1 CC(C=O)OCCC(=O)N 723758d0da03869338ad7f140180561f [0,1,0,0,0,1|1,0,1]=4 1209 B9R0.1 CC(C=O)OCCC(=O)O 056bb2d7d93cc893e2815e75c928f63b [0,1,0,0,0,1|0,0,1]=3 1210 B9R0.1 CC(CF)OCCC(=O)N 77e5540c955a9bd5601c5ff0437ec4f8 [0,1,0,0,0,1|1,0,0]=3 1211 B9R0.1 CC(CF)OCCC(=O)O e6767e000962bf0da8753ce7298bf1cf [0,1,0,0,0,1|0,0,0]=2 1212 B9R0.1 CC(CF)OCCS(=O)C 652f0bf12b1ba80eb6edec9f8fa7d326 [0,1,0,0,0,1|2,0,0]=4 1213 B9R0.1 CC(CF)OCSC(=O)N a30aaa929550ad3346699b7af68be5dd [0,1,0,0,0,1|2,0,0]=4 1214 B9R0.1 CC(CO)CCNC(C)C 0398f6be4ce4d2b850f69ba682c08eca [0,1,0,0,0,1|1,0,1]=4 1215 B9R0.1 CC(CO)CNCC(=O)N 1515f5dca39d8974b65c9c8e576ba458 [0,1,0,0,0,1|1,0,0]=3 1216 B9R0.1 CC(CO)CNCC(=O)O 545002bd59f1a831ceb97793e95beb08 [0,1,0,0,0,1|0,0,0]=2 1217 B9R0.1 CC(CO)CNC[C@@H](C)O af2505fa57b75db9d3136b3baafbdb52 [0,1,0,0,0,1|1,0,1]=4 1218 B9R0.1 CC(CO)CNC[C@H](C)O 47e81ecb2a52d6ac0870c65e6c741612 [0,1,0,0,0,1|1,0,1]=4 1219 B9R0.1 CC(CO)CNC[N+](=O)[O-] 215de63647f785ebe6efa8b86899d228 [0,1,0,0,0,1|1,0,1]=4 1220 B9R0.1 CC(CO)NCCC(=O)N b00aad0bfd7caa3a7945ce46f42cbd7d [0,1,0,0,0,1|1,0,0]=3 1221 B9R0.1 CC(CO)NCCC(=O)O 7af196631507732ccee08e53dff47c19 [0,1,0,0,0,1|0,0,0]=2 1222 B9R0.1 CC(CO)NCCC(=S)N f86517d9116cd0e61476564f9744c5b2 [0,1,0,0,0,1|1,1,0]=4 1223 B9R0.1 CC(CO)NCCS(=O)C 91c144f6d01202ff5b938b857867e0f5 [0,1,0,0,0,1|2,0,0]=4 1224 B9R0.1 CC(CO)NCCS(=O)O ffb21d9235aff6fcb4d16a8dd5a43574 [0,1,0,0,0,1|1,0,0]=3 1225 B9R0.1 CC(CO)NCC[C@@H](C)O 8ac20fe5e438d57839d010ec09e515e0 [0,1,0,0,0,1|1,0,1]=4 1226 B9R0.1 CC(CO)NCC[C@H](C)O ad53b4c623e268f6c14e04be8e351bbe [0,1,0,0,0,1|1,0,1]=4 1227 B9R0.1 CC(CO)NCSC(=O)N a7cc03e721340bfc080e2f154fc627f0 [0,1,0,0,0,1|2,0,0]=4 1228 B9R0.1 CC(CS)OCCC(=O)N 084f32928b5b0a54f93fef70f63ed831 [0,1,0,0,0,1|1,0,0]=3 1229 B9R0.1 CC(CS)OCCS(=O)C f093143e42354e129f956345174d3435 [0,1,0,0,0,1|2,0,0]=4 1230 B9R0.1 CC(CS)OCSC(=O)N d3eb1834933b6123d6843ad137121ed4 [0,1,0,0,0,1|2,0,0]=4 1231 B9R0.1 CC(O)CCNC(=O)C=O 500a57bebfd5261d3f0f8c9320411135 [0,1,0,0,0,1|1,0,1]=4 1232 B9R0.1 CC(O)CCNC(=O)CF 7c4df54bb4c03e0cfed039993eb83c4a [0,1,0,0,0,1|2,0,0]=4 1233 B9R0.1 CC(O)CCNC(=O)CO bea318e52af2faf0abfc14754050cafc [0,1,0,0,0,1|1,0,0]=3 1234 B9R0.1 CC(O)CCNC(=O)CS c0d269a5f96db7c36bd65f277c5f2e77 [0,1,0,0,0,1|1,1,0]=4 1235 B9R0.1 CC(O)CCNC(C)CO 6f7e5384403a1428776ce25e5a48505b [0,1,0,0,0,1|1,0,1]=4 1236 B9R0.1 CC(O)CCN[C@@H](C)CO 796717b45cec7a98443fc0fa21987679 [0,1,0,0,0,1|1,0,1]=4 1237 B9R0.1 CC(O)CCN[C@H](C)CO fd0f70c5c17d11ec18124a0dd658e813 [0,1,0,0,0,1|1,0,1]=4 1238 B9R0.1 CC(O)CNCC(=O)CO 6b4b0f5a2695c38dccc74856e24bd074 [0,1,0,0,0,1|1,0,0]=3 1239 B9R0.1 CC(O)CNCC(=O)NO 6e73041981f85b6af4f7ae6484b1fe5b [0,1,0,0,0,1|1,0,0]=3 1240 B9R0.1 CC(O)CNCC(C)CO b578b3b6503ef5585dabddd81a94ef06 [0,1,0,0,0,1|1,0,1]=4 1241 B9R0.1 CC(O)CNC[C@@H](C)CO 52cd8533941f9881f8f8f65659d4cfbb [0,1,0,0,0,1|1,0,1]=4 1242 B9R0.1 CC(O)CNC[C@H](C)CO b5b0c08f870e6e8468c38473c651f0b5 [0,1,0,0,0,1|1,0,1]=4 1243 B9R0.1 CCC(=O)CNCC(=O)O 7018cc82507b5cf3388be4a1b0a3b91b [0,1,0,0,0,1|1,0,1]=4 1244 B9R0.1 CCC(=O)CNCC(C)C f89eb8c1da421bdd2c2a0f52a3227e7b [0,1,0,0,0,1|1,0,0]=3 1245 B9R0.1 CCC(=O)CNCC(C)O a20b1e849513a8941047bd9c440c4344 [0,1,0,0,0,1|2,0,0]=4 1246 B9R0.1 CCC(=O)CNC[C@@H](C)O 2e3fedb1efa9f0f66bc486911a9f8e3a [0,1,0,0,0,1|2,0,0]=4 1247 B9R0.1 CCC(=O)CNC[C@H](C)O 61f52c4a5ade0238ce10614525e75211 [0,1,0,0,0,1|2,0,0]=4 1248 B9R0.1 CCC(=O)COCC(=O)O 1a72a234de91ee3fa394daead68a119d [0,1,0,0,0,1|1,0,1]=4 1249 B9R0.1 CCC(=O)COCC(C)C 1c45ddeeaf5a279e0fccbc8ffb25aed9 [0,1,0,0,0,1|1,0,0]=3 1250 B9R0.1 CCC(=O)COCC(C)F 91df8a377e9f937cdf7b9a4dbc1d8ea9 [0,1,0,0,0,1|2,0,0]=4 1251 B9R0.1 CCC(=O)COCC(C)S d1be480c334d894200d3e9bbcc1d4bf5 [0,1,0,0,0,1|2,0,0]=4 1252 B9R0.1 CCC(=O)COCN(C)C dd8de0eeed69111efd83350139ed50fc [0,1,0,0,0,1|2,0,0]=4 1253 B9R0.1 CCC(=O)COC[C@@H](C)F caad4436b920c8b328478f7df99675f5 [0,1,0,0,0,1|2,0,0]=4 1254 B9R0.1 CCC(=O)COC[C@H](C)F afd400ebd46039e71d2dcae521490671 [0,1,0,0,0,1|2,0,0]=4 1255 B9R0.1 CCC(=O)NCCC(C)C 15f0ff154b73608d9b867dc114dba5c0 [0,1,0,0,0,1|1,0,0]=3 1256 B9R0.1 CCC(=O)NCCC(C)O 2aec2e6bb9fbc54ce13f19b2630a008a [0,1,0,0,0,1|2,0,0]=4 1257 B9R0.1 CCC(=O)NCCN(C)C 3fd654a68244f1306eb040b308a88ab5 [0,1,0,0,0,1|2,0,0]=4 1258 B9R0.1 CCC(=O)NCC[C@@H](C)O dc1da85b4b434a8327a030b4b9c29cc5 [0,1,0,0,0,1|2,0,0]=4 1259 B9R0.1 CCC(=O)NCC[C@H](C)O e060f68859aae796ceb23995e0446069 [0,1,0,0,0,1|2,0,0]=4 1260 B9R0.1 CCC(=O)OCOC(C)C d2041b130de2bcfd6163156695ed2b3c [0,1,0,0,0,1|2,0,0]=4 1261 B9R0.1 CCC(C)CCNC(=O)C 2da423144efbc22bf5c1e3503bb1535e [0,1,0,0,0,1|1,0,0]=3 1262 B9R0.1 CCC(C)CNCC(=O)C 38219368305ac283b328948de524c748 [0,1,0,0,0,1|1,0,0]=3 1263 B9R0.1 CCC(C)CNCC(=O)N 16522a2e22028faf802074861520249b [0,1,0,0,0,1|1,0,0]=3 1264 B9R0.1 CCC(C)CNCC(=O)O 87c69323a9e1a04a6ee6d76377703b82 [0,1,0,0,0,1|0,0,0]=2 1265 B9R0.1 CCC(C)CNCC(C)O 2565fefe893fb592504bf3eb9b9f9263 [0,1,0,0,0,1|1,0,1]=4 1266 B9R0.1 CCC(C)CNC[C@@H](C)O 3206056fc3d595c27a3727eeef23ed1b [0,1,0,0,0,1|1,0,1]=4 1267 B9R0.1 CCC(C)CNC[C@H](C)O 7518c3737ca09a588caddc5048aac33b [0,1,0,0,0,1|1,0,1]=4 1268 B9R0.1 CCC(C)CNC[N+](=O)[O-] 068de4f8b1ca53a43e6540741dc39a8b [0,1,0,0,0,1|1,0,1]=4 1269 B9R0.1 CCC(C)COCC(=O)C bd04825963a18a80e53433b8af338adb [0,1,0,0,0,1|1,0,0]=3 1270 B9R0.1 CCC(C)COCC(=O)N 2a0ba5bb8f81333cdbeea70ace57393a [0,1,0,0,0,1|1,0,0]=3 1271 B9R0.1 CCC(C)COCC(=O)O 1a5759c434f27c176d5bad2fa82f04ef [0,1,0,0,0,1|0,0,0]=2 1272 B9R0.1 CCC(C)COCC(=S)N 55ef566efc4ab6e72735313e0e433e49 [0,1,0,0,0,1|1,1,0]=4 1273 B9R0.1 CCC(C)COCS(=O)O aa2f448e10aac758f905eaea4ded0bb5 [0,1,0,0,0,1|1,0,0]=3 1274 B9R0.1 CCC(C)COC[N+](=O)[O-] 745f15624642a882da5b732a4eee2a0b [0,1,0,0,0,1|1,0,1]=4 1275 B9R0.1 CCC(C)NCCC(=O)C 553b77e78208b9e578091ff5b7a7dbdb [0,1,0,0,0,1|1,0,0]=3 1276 B9R0.1 CCC(C)NCCC(=O)N 1a4e576a5df92bfad9c34a96c5e494ae [0,1,0,0,0,1|1,0,0]=3 1277 B9R0.1 CCC(C)NCCC(=O)O a58859ee191bb6759b209bcd54bebe4e [0,1,0,0,0,1|0,0,0]=2 1278 B9R0.1 CCC(C)NCCC(=S)N a908450007e25a71c98e5e23ec373b39 [0,1,0,0,0,1|1,1,0]=4 1279 B9R0.1 CCC(C)NCCC(C)O dda59110f1c0fb7493f1aaff05307dd4 [0,1,0,0,0,1|1,0,1]=4 1280 B9R0.1 CCC(C)NCCS(=O)C fa17ca3cf9f3eaf4d4c144b34f44cd9a [0,1,0,0,0,1|2,0,0]=4 1281 B9R0.1 CCC(C)NCCS(=O)O 72c84b7af723b02c5376adf14512bab4 [0,1,0,0,0,1|1,0,0]=3 1282 B9R0.1 CCC(C)NCC[C@@H](C)O fb3a959625849719803d70bc59f6fd53 [0,1,0,0,0,1|1,0,1]=4 1283 B9R0.1 CCC(C)NCC[C@H](C)O b64181209b00f8f962601d14c2173d61 [0,1,0,0,0,1|1,0,1]=4 1284 B9R0.1 CCC(C)NCOC(=O)C 23aa0ac2e47ba04a5a139a2e1c0bf0de [0,1,0,0,0,1|2,0,0]=4 1285 B9R0.1 CCC(C)NCSC(=O)N 99818846aaffb2d6958455e86b9a4762 [0,1,0,0,0,1|2,0,0]=4 1286 B9R0.1 CCC(C)OCCC(=O)C 3c4819c84edde006647b7f4661484ff1 [0,1,0,0,0,1|1,0,0]=3 1287 B9R0.1 CCC(C)OCCC(=O)N c80df9816dad84b994c7ec7d952479b6 [0,1,0,0,0,1|1,0,0]=3 1288 B9R0.1 CCC(C)OCCC(=O)O 861df1c98ebd5a3521ba6de3206bc80e [0,1,0,0,0,1|0,0,0]=2 1289 B9R0.1 CCC(C)OCCS(=O)C e67f403f4904a01e724c3d61f00e1775 [0,1,0,0,0,1|2,0,0]=4 1290 B9R0.1 CCC(C)OCC[N+](=O)[O-] 2ed110549f6c3bf31f3ceb6d374ed380 [0,1,0,0,0,1|1,0,1]=4 1291 B9R0.1 CCC(C)OCNC(=O)C 8183d13cbf9d8c857b25fb9915a8e602 [0,1,0,0,0,1|2,0,0]=4 1292 B9R0.1 CCC(C)OCNC(=O)N 8bdf4dea8e83697fdf038441dcfc0b21 [0,1,0,0,0,1|2,0,0]=4 1293 B9R0.1 CCC(C)OCOC(=O)C f818c8d88ded73092c135f186b34a6ed [0,1,0,0,0,1|2,0,0]=4 1294 B9R0.1 CCC(C)OCSC(=O)N 10be0faea3701cb21a8b6267ba5f766e [0,1,0,0,0,1|2,0,0]=4 1295 B9R0.1 CCC(O)CNCC(=O)C ede59564767224e151ba36bea1af43f8 [0,1,0,0,0,1|2,0,0]=4 1296 B9R0.1 CCC(O)CNCC(=O)N 0115c55aa91aa51240c8355946838a03 [0,1,0,0,0,1|2,0,0]=4 1297 B9R0.1 CCC(O)CNCC(=O)O 03d5356d375bf79d740c17da46436b7f [0,1,0,0,0,1|1,0,0]=3 1298 B9R0.1 CCC(O)CNCC(C)C 96e939095a17e5d84294536ccba3963b [0,1,0,0,0,1|1,0,1]=4 1299 B9R0.1 CCN(C)C/C=C/C(=O)O c59393b71dfbf874e824ace25c6dde8a [0,1,0,0,0,1|1,0,1]=4 1300 B9R0.1 CCN(C)CC=CC(=O)O 2b5cd669133f9500117e44a88402af2e [0,1,0,0,0,1|1,0,1]=4 1301 B9R0.1 CCN(C)CCCC(=O)C 41478ee9c5261856d551150317f5e6d2 [0,1,0,0,0,1|2,0,0]=4 1302 B9R0.1 CCN(C)CCCC(=O)N 5457b0b5f3c627b5bbae3b3b0443c3e6 [0,1,0,0,0,1|2,0,0]=4 1303 B9R0.1 CCN(C)CCCC(=O)O 95bc41ded99741417784aba721ce87aa [0,1,0,0,0,1|1,0,0]=3 1304 B9R0.1 CCN(C)CCNC(=O)C 8261fd541df04ed3dee9f95b587853cd [0,1,0,0,0,1|2,0,0]=4 1305 B9R0.1 CCN(C)CCNC(=O)N bafdb7984409d28d75edcbc4894db829 [0,1,0,0,0,1|2,0,0]=4 1306 B9R0.1 CCN(C)CCOC(=O)C 2e72695c8766aa8c6dd0fb8fcaa7e65d [0,1,0,0,0,1|2,0,0]=4 1307 B9R0.1 CCN(C)CCSC(=O)C 6e1d069dc9e4f41572e9ef79797ac9c0 [0,1,0,0,0,1|2,0,0]=4 1308 B9R0.1 CCS(=O)CCOC(C)C 7f20e4e9980affd6bc73c9352927640f [0,1,0,0,0,1|2,0,0]=4 1309 B9R0.1 CC[C@@H](C)CNCC(=O)C 57a59e48f50a2bc35515a82d8a8c3a79 [0,1,0,0,0,1|1,0,0]=3 1310 B9R0.1 CC[C@@H](C)CNCC(=O)N 86fe84e58c34c31bc79a8f984286262c [0,1,0,0,0,1|1,0,0]=3 1311 B9R0.1 CC[C@@H](C)CNCC(=O)O 98f2dd2d2950413d052b4cb7e53dbe2b [0,1,0,0,0,1|0,0,0]=2 1312 B9R0.1 CC[C@@H](C)CNCC(C)O 0edb135055cb737a4bc90c1f8270c4d7 [0,1,0,0,0,1|1,0,1]=4 1313 B9R0.1 CC[C@@H](C)CNC[C@@H](C)O 06548bb51537ad4c28c0633d716d339d [0,1,0,0,0,1|1,0,1]=4 1314 B9R0.1 CC[C@@H](C)CNC[C@H](C)O cab093f359def90f74c49583fd552bc4 [0,1,0,0,0,1|1,0,1]=4 1315 B9R0.1 CC[C@@H](C)COCC(=O)C 3ea96dffd188de143cbb785260b39e0c [0,1,0,0,0,1|1,0,0]=3 1316 B9R0.1 CC[C@@H](C)COCC(=O)N 740f240e3f600ed639946b1e0e9b224f [0,1,0,0,0,1|1,0,0]=3 1317 B9R0.1 CC[C@@H](C)COCC(=O)O 8b143e0422b6a9e950b67a2c284bdd65 [0,1,0,0,0,1|0,0,0]=2 1318 B9R0.1 CC[C@@H](C)COCC(=S)N 845d22901c19e52b71204759841b42b4 [0,1,0,0,0,1|1,1,0]=4 1319 B9R0.1 CC[C@@H](C)COCS(=O)O 19b9a9e681b592b4e47910d2bc3144b8 [0,1,0,0,0,1|1,0,0]=3 1320 B9R0.1 CC[C@@H](C)COC[N+](=O)[O-] d5053705678f945de7746ecae1a09b1d [0,1,0,0,0,1|1,0,1]=4 1321 B9R0.1 CC[C@@H](C)NCCC(=O)C ee2823585fbc4d880fa3f68fe921eb3d [0,1,0,0,0,1|1,0,0]=3 1322 B9R0.1 CC[C@@H](C)NCCC(=O)N b6b2677e5edf0741bd651bdbb3611804 [0,1,0,0,0,1|1,0,0]=3 1323 B9R0.1 CC[C@@H](C)NCCC(=O)O 1e341985822ae038516e7d3d57e3d5f1 [0,1,0,0,0,1|0,0,0]=2 1324 B9R0.1 CC[C@@H](C)NCCC(C)O b7f70e273fce08932540a42165eb9d86 [0,1,0,0,0,1|1,0,1]=4 1325 B9R0.1 CC[C@@H](C)NCCS(=O)C ef3dd5974ed506c6358962ab3726809b [0,1,0,0,0,1|2,0,0]=4 1326 B9R0.1 CC[C@@H](C)NCOC(=O)C a711d08f12460f2a76c41395ffc9ec65 [0,1,0,0,0,1|2,0,0]=4 1327 B9R0.1 CC[C@@H](C)NCSC(=O)N 4296f6a08650c5d681b93398b84c69ae [0,1,0,0,0,1|2,0,0]=4 1328 B9R0.1 CC[C@@H](C)OCCC(=O)C 49267d242cdea675a244728a918e9b2e [0,1,0,0,0,1|1,0,0]=3 1329 B9R0.1 CC[C@@H](C)OCCC(=O)N 94e454e36f118d64a2660378253d5f3a [0,1,0,0,0,1|1,0,0]=3 1330 B9R0.1 CC[C@@H](C)OCCC(=O)O 460df0b016032744699dec10515440f9 [0,1,0,0,0,1|0,0,0]=2 1331 B9R0.1 CC[C@@H](C)OCCS(=O)C 9b9f925e3813153ad01d285336dc42b0 [0,1,0,0,0,1|2,0,0]=4 1332 B9R0.1 CC[C@@H](C)OCOC(=O)C 65fc54324ee0a95629ae5ef18322eb78 [0,1,0,0,0,1|2,0,0]=4 1333 B9R0.1 CC[C@@H](C)OCSC(=O)N 3b0c60f54d867c23b33abb1c316c2aca [0,1,0,0,0,1|2,0,0]=4 1334 B9R0.1 CC[C@@H](O)CNCC(=O)N 8d91f413ccf87ad2db7b150f686cd85b [0,1,0,0,0,1|2,0,0]=4 1335 B9R0.1 CC[C@@H](O)CNCC(=O)O 03733baf1864df61afe14ccbe323ed3e [0,1,0,0,0,1|1,0,0]=3 1336 B9R0.1 CC[C@@H](O)CNCC(C)C 16fce5eb8df22979ab0b263442fac03b [0,1,0,0,0,1|1,0,1]=4 1337 B9R0.1 CC[C@H](C)CNCC(=O)C f6e69c2b87b1b94a0f2513a65f560c31 [0,1,0,0,0,1|1,0,0]=3 1338 B9R0.1 CC[C@H](C)CNCC(=O)N 1896affdbe0b42f4fa2702bb9fa0f52c [0,1,0,0,0,1|1,0,0]=3 1339 B9R0.1 CC[C@H](C)CNCC(=O)O 3004fae72bd867afedf99bbbfea959f0 [0,1,0,0,0,1|0,0,0]=2 1340 B9R0.1 CC[C@H](C)CNCC(C)O acb0f2f402bde2189761235f28bd8537 [0,1,0,0,0,1|1,0,1]=4 1341 B9R0.1 CC[C@H](C)CNC[C@@H](C)O 8c9a2e8bd3820ab9cbf6410eab31b4a5 [0,1,0,0,0,1|1,0,1]=4 1342 B9R0.1 CC[C@H](C)CNC[C@H](C)O 23768e5495769b3c846ea18f18258f86 [0,1,0,0,0,1|1,0,1]=4 1343 B9R0.1 CC[C@H](C)CNC[N+](=O)[O-] 9bee9049907540f7b558160946c6eae0 [0,1,0,0,0,1|1,0,1]=4 1344 B9R0.1 CC[C@H](C)COCC(=O)C 80eb9e48ec554962e19de8a0a5190a68 [0,1,0,0,0,1|1,0,0]=3 1345 B9R0.1 CC[C@H](C)COCC(=O)N 618c87bafaf60a39a5844b8445445aab [0,1,0,0,0,1|1,0,0]=3 1346 B9R0.1 CC[C@H](C)COCC(=O)O d94c701382e65cef3df369dbbe944763 [0,1,0,0,0,1|0,0,0]=2 1347 B9R0.1 CC[C@H](C)COCC(=S)N 9993ad6712ea9aa5c90bd28da11fa8ea [0,1,0,0,0,1|1,1,0]=4 1348 B9R0.1 CC[C@H](C)COCS(=O)O 39955f728c40bf5dcc7b4871cd9bc9b3 [0,1,0,0,0,1|1,0,0]=3 1349 B9R0.1 CC[C@H](C)COC[N+](=O)[O-] 19c8793d4a01be6830c7dfc381098174 [0,1,0,0,0,1|1,0,1]=4 1350 B9R0.1 CC[C@H](C)NCCC(=O)C 5a9b435e46c65397c3b77d227f6c8d6d [0,1,0,0,0,1|1,0,0]=3 1351 B9R0.1 CC[C@H](C)NCCC(=O)N 20e8289367182a2a107c4742c2451855 [0,1,0,0,0,1|1,0,0]=3 1352 B9R0.1 CC[C@H](C)NCCC(=O)O 9ce7a4b5931e874b441152425137209a [0,1,0,0,0,1|0,0,0]=2 1353 B9R0.1 CC[C@H](C)NCCC(C)O 2749dbaaf30a780792b4813830b0935f [0,1,0,0,0,1|1,0,1]=4 1354 B9R0.1 CC[C@H](C)NCCS(=O)C 0f8fbcfee0e31d449c9a62890f9930d1 [0,1,0,0,0,1|2,0,0]=4 1355 B9R0.1 CC[C@H](C)NCOC(=O)C ec462d5afb28a22cfec47297688b8d5f [0,1,0,0,0,1|2,0,0]=4 1356 B9R0.1 CC[C@H](C)NCSC(=O)N d95b5607ccbac595df027faddf664742 [0,1,0,0,0,1|2,0,0]=4 1357 B9R0.1 CC[C@H](C)OCCC(=O)C 57f743174dad87e641f434790222523a [0,1,0,0,0,1|1,0,0]=3 1358 B9R0.1 CC[C@H](C)OCCC(=O)N 13ca221b762a4b3d6b0303649fde7620 [0,1,0,0,0,1|1,0,0]=3 1359 B9R0.1 CC[C@H](C)OCCC(=O)O 8aec70cd34e530a63d290d1ba3130012 [0,1,0,0,0,1|0,0,0]=2 1360 B9R0.1 CC[C@H](C)OCCS(=O)C 565808f685a16233d5f19d85e2024055 [0,1,0,0,0,1|2,0,0]=4 1361 B9R0.1 CC[C@H](C)OCOC(=O)C f590ede741d93a99ae3c6a1bb1672402 [0,1,0,0,0,1|2,0,0]=4 1362 B9R0.1 CC[C@H](C)OCSC(=O)N 26fb1e031263c83f28320f3d7239855b [0,1,0,0,0,1|2,0,0]=4 1363 B9R0.1 CN(C)CCNC(=O)C=O 9dc9d3b724acd2e6b420a7e485bc3a3e [0,1,0,0,0,1|1,0,1]=4 1364 B9R0.1 CN(C)CCNC(=O)CF f1e626ee6a191f90f8bdc9089bd94f7d [0,1,0,0,0,1|2,0,0]=4 1365 B9R0.1 CN(C)CCNC(=O)CO dea4c98f6a4d3fbcbf88cdb0e163e84f [0,1,0,0,0,1|1,0,0]=3 1366 B9R0.1 CN(C)CCNC(=O)CS 739f64b4520f33214b510a14f21f5bab [0,1,0,0,0,1|1,1,0]=4 1367 B9R0.1 CN(C)CNCC(=O)NO a3ade7df16dbcd771b06a73f3e12e552 [0,1,0,0,0,1|1,0,0]=3 1368 B9R0.1 CN(CF)CCCC(=O)N 65f565f0e81325c053f50906964421e0 [0,1,0,0,0,1|2,0,0]=4 1369 B9R0.1 CN(CF)CCCC(=O)O ca2d2af989107fbb2003dee075ad73ef [0,1,0,0,0,1|1,0,0]=3 1370 B9R0.1 CN(CO)CCCC(=O)N fec24e82a12ce5647c3e02571de30e68 [0,1,0,0,0,1|2,0,0]=4 1371 B9R0.1 CN(CO)CCCC(=O)O 15d2d5e0a3745bcbc8af1be8c111eca1 [0,1,0,0,0,1|1,0,0]=3 1372 B9R0.1 CNC(=O)CCNC(C)C 855f87f986c161aee85af79de8272fed [0,1,0,0,0,1|1,0,0]=3 1373 B9R0.1 CNC(=O)CCOC(C)C 6a47444c5a2c07745f4f7dfd64d3b1d6 [0,1,0,0,0,1|1,0,0]=3 1374 B9R0.1 CNC(=O)CNCC(=O)O 85a5f672fadbc6f9ef6de9a2a956af16 [0,1,0,0,0,1|1,0,1]=4 1375 B9R0.1 CNC(=O)CNCC(C)C 3221640b219bd78ec2bb8c18ad769fcf [0,1,0,0,0,1|1,0,0]=3 1376 B9R0.1 CNC(=O)CNCC(C)O a28ef65677ab53cd6c02da4523df1161 [0,1,0,0,0,1|2,0,0]=4 1377 B9R0.1 CNC(=O)CNCN(C)C 4fdd37483f99f0a734ac1b77c7bf7496 [0,1,0,0,0,1|2,0,0]=4 1378 B9R0.1 CNC(=O)CNC[C@@H](C)O efcf8ffc667f53fed279c5d7a3af9870 [0,1,0,0,0,1|2,0,0]=4 1379 B9R0.1 CNC(=O)CNC[C@H](C)O 0c060a0a690e256b06eead82b2ad4d1e [0,1,0,0,0,1|2,0,0]=4 1380 B9R0.1 CNC(=O)COCC(=O)O 006fa27b5ff6a2a3b9b7bdadb3a8cf78 [0,1,0,0,0,1|1,0,1]=4 1381 B9R0.1 CNC(=O)COCC(C)C 40c9e5555ca7067c1b75a79085d9227e [0,1,0,0,0,1|1,0,0]=3 1382 B9R0.1 CNC(=O)COCC(C)F fa52b6f3d1a0e8b904c6593f91cbafd7 [0,1,0,0,0,1|2,0,0]=4 1383 B9R0.1 CNC(=O)COCC(C)S 9a15f8cb95cc309974f4cd3bd405210f [0,1,0,0,0,1|2,0,0]=4 1384 B9R0.1 CNC(=O)COCN(C)C 665ee29b62254af7868c6011e1c8eb08 [0,1,0,0,0,1|2,0,0]=4 1385 B9R0.1 CNC(=O)COC[C@@H](C)F 5731cf667a988e44e01f3764bf2440c0 [0,1,0,0,0,1|2,0,0]=4 1386 B9R0.1 CNC(=O)COC[C@H](C)F 6084954275979d4120883ba62d3df961 [0,1,0,0,0,1|2,0,0]=4 1387 B9R0.1 COC(=O)CCNC(=O)C e469e5b7d171861926dc52d0d008b43a [0,1,0,0,0,1|1,0,1]=4 1388 B9R0.1 COC(=O)CCNC(C)C cca84c56a4f78d735d44ac567d8c7043 [0,1,0,0,0,1|0,0,0]=2 1389 B9R0.1 COC(=O)CCOC(C)C 60b3b0e4ed197bd9b785527450b784a6 [0,1,0,0,0,1|0,0,0]=2 1390 B9R0.1 COC(=O)CNCC(=O)C 2ffbe56641f2b1b2f85d79518ab23ece [0,1,0,0,0,1|1,0,1]=4 1391 B9R0.1 COC(=O)CNCC(=O)O d413351b1bd64263dc30d4f78e9bad17 [0,1,0,0,0,1|1,0,1]=4 1392 B9R0.1 COC(=O)CNCC(C)C f4529cfb679f9748b0c64270201236cc [0,1,0,0,0,1|0,0,0]=2 1393 B9R0.1 COC(=O)CNCC(C)O 59a9a5fa9940991101df2294ecedabe2 [0,1,0,0,0,1|1,0,0]=3 1394 B9R0.1 COC(=O)CNCC(F)F 99a11b46419d1919f76e3d3e6287302f [0,1,0,0,0,1|2,0,0]=4 1395 B9R0.1 COC(=O)CNCN(C)C 0a2496fcd2e1da81aae705ca0c36b384 [0,1,0,0,0,1|1,0,0]=3 1396 B9R0.1 COC(=O)CNC[C@@H](C)O c0520f27f33031c361272483aa523927 [0,1,0,0,0,1|1,0,0]=3 1397 B9R0.1 COC(=O)CNC[C@H](C)O 0c585f1f65c56fea600dec50df736a15 [0,1,0,0,0,1|1,0,0]=3 1398 B9R0.1 COC(=O)COCC(=O)C c6badf6770087930f6d233ff5221dfc5 [0,1,0,0,0,1|1,0,1]=4 1399 B9R0.1 COC(=O)COCC(=O)O ffa9d3a5a545c2957a369e509906e94d [0,1,0,0,0,1|1,0,1]=4 1400 B9R0.1 COC(=O)COCC(C)C 4b1318611fb3f76585445eae1c414e70 [0,1,0,0,0,1|0,0,0]=2 1401 B9R0.1 COC(=O)COCC(C)F ded48f7273675c40dff9df77741fd995 [0,1,0,0,0,1|1,0,0]=3 1402 B9R0.1 COC(=O)COCC(C)S 972eb2e1b84baea6663e77547a586ced [0,1,0,0,0,1|1,0,0]=3 1403 B9R0.1 COC(=O)COCC(F)F 5967460eac62631fab3c633dca5b4a80 [0,1,0,0,0,1|2,0,0]=4 1404 B9R0.1 COC(=O)COCN(C)C 68a7b0498b06764e3116c56a23a606fe [0,1,0,0,0,1|1,0,0]=3 1405 B9R0.1 COC(=O)COC[C@@H](C)F 2c354a5e8fdd5505f4e964176d19fdb9 [0,1,0,0,0,1|1,0,0]=3 1406 B9R0.1 COC(=O)COC[C@H](C)F 6ebc6b533639ba961e85b641e67b20d7 [0,1,0,0,0,1|1,0,0]=3 1407 B9R0.1 COC(=O)OCOC(C)C 251eb519e02d8d49a94916f622d830be [0,1,0,0,0,1|1,0,0]=3 1408 B9R0.1 COC(C)CCOC(C)C 440b268fc3b233d78b6c56cb8499556f [0,1,0,0,0,1|1,0,1]=4 1409 B9R0.1 COC(C)CNCC(=O)C a496551dd3631b02d91d02c1cf1f9a01 [0,1,0,0,0,1|1,0,0]=3 1410 B9R0.1 COC(C)CNCC(=O)N c406d754cedf46f953aabf5f2b6c5f83 [0,1,0,0,0,1|1,0,0]=3 1411 B9R0.1 COC(C)CNCC(=O)O dbf8e5faee7152132e5d4bb3bd4e4843 [0,1,0,0,0,1|0,0,0]=2 1412 B9R0.1 COC(C)CNCC(C)C 2dddbc6af97e22f2ec859ec5b4b72992 [0,1,0,0,0,1|1,0,1]=4 1413 B9R0.1 COC(C)CNCC(C)O 5fd1d65b077a8c5633f4869085479588 [0,1,0,0,0,1|1,0,1]=4 1414 B9R0.1 COC(C)CNC[C@@H](C)O 0e5e98320f401faf33be83dc51ca6dbd [0,1,0,0,0,1|1,0,1]=4 1415 B9R0.1 COC(C)CNC[C@H](C)O 936b04fea1fd5f3877817469cef5d4a7 [0,1,0,0,0,1|1,0,1]=4 1416 B9R0.1 COC(C)COCC(=O)C 3142f37743266362b2effa0bced7ba98 [0,1,0,0,0,1|1,0,0]=3 1417 B9R0.1 COC(C)COCC(=O)N 043fe304acc48d7988a07ed3f995965a [0,1,0,0,0,1|1,0,0]=3 1418 B9R0.1 COC(C)COCC(=O)O 80e727ea49a776af207e2b913ddb7306 [0,1,0,0,0,1|0,0,0]=2 1419 B9R0.1 COC(C)COCC(=S)N 6d074d1240f249346162ab8807972474 [0,1,0,0,0,1|1,1,0]=4 1420 B9R0.1 COC(C)COCC(C)C ed67b1811a188d801c3377afc054ec5f [0,1,0,0,0,1|1,0,1]=4 1421 B9R0.1 COC(C)COCS(=O)O 5e5ef287229ea40bbf39a36b32c895f6 [0,1,0,0,0,1|1,0,0]=3 1422 B9R0.1 COC(C)COC[N+](=O)[O-] 8798577a9ce2c2c5a068ea8c7647d636 [0,1,0,0,0,1|1,0,1]=4 1423 B9R0.1 CO[C@@H](C)CNCC(=O)C 7198624c11de30df71b09e1e81cad62d [0,1,0,0,0,1|1,0,0]=3 1424 B9R0.1 CO[C@@H](C)CNCC(=O)N e607cb12070ca1a41a2d7ac47b7100ff [0,1,0,0,0,1|1,0,0]=3 1425 B9R0.1 CO[C@@H](C)CNCC(=O)O 65dd78747dc8a0d82266cff86cc9f8ee [0,1,0,0,0,1|0,0,0]=2 1426 B9R0.1 CO[C@@H](C)CNCC(C)C 6cafc2d92cc5392574713b5e946a3346 [0,1,0,0,0,1|1,0,1]=4 1427 B9R0.1 CO[C@@H](C)CNCC(C)O b8336d2c7e0811265104673ca2403b02 [0,1,0,0,0,1|1,0,1]=4 1428 B9R0.1 CO[C@@H](C)CNC[C@@H](C)O c61c420e0083b18ad6b3aa1a8cf646fc [0,1,0,0,0,1|1,0,1]=4 1429 B9R0.1 CO[C@@H](C)CNC[C@H](C)O eb824fd53e0aecaabde27402d7640265 [0,1,0,0,0,1|1,0,1]=4 1430 B9R0.1 CO[C@@H](C)CNC[N+](=O)[O-] 05f1afcf7ed5fae71102068845a191b8 [0,1,0,0,0,1|1,0,1]=4 1431 B9R0.1 CO[C@@H](C)COCC(=O)C 8fa47a19787c56e3041f0099c3b9f382 [0,1,0,0,0,1|1,0,0]=3 1432 B9R0.1 CO[C@@H](C)COCC(=O)N 606070aa116c4601f0bb391f8a9522c6 [0,1,0,0,0,1|1,0,0]=3 1433 B9R0.1 CO[C@@H](C)COCC(=O)O a1f6e6081969a90d511bdcf1d36c7fb3 [0,1,0,0,0,1|0,0,0]=2 1434 B9R0.1 CO[C@@H](C)COCC(=S)N 2de75878e8ebac49e7e69d8a20d37c17 [0,1,0,0,0,1|1,1,0]=4 1435 B9R0.1 CO[C@@H](C)COCC(C)C 4d97cf15e0a5dc41a9e0fc41d5564171 [0,1,0,0,0,1|1,0,1]=4 1436 B9R0.1 CO[C@@H](C)COCS(=O)O 9ca31fa9648066bf445522028cd02f8a [0,1,0,0,0,1|1,0,0]=3 1437 B9R0.1 CO[C@@H](C)COC[N+](=O)[O-] 97ca28a4a8a697d6f0647683367f0eb3 [0,1,0,0,0,1|1,0,1]=4 1438 B9R0.1 CO[C@H](C)CNCC(=O)C 8d7b3f7b6bbe18398470ba66d5033f7d [0,1,0,0,0,1|1,0,0]=3 1439 B9R0.1 CO[C@H](C)CNCC(=O)N 6f53ca4bf47d6016b38536d82bb3bea6 [0,1,0,0,0,1|1,0,0]=3 1440 B9R0.1 CO[C@H](C)CNCC(=O)O 84e5827c180a6cfe438de358774cfb15 [0,1,0,0,0,1|0,0,0]=2 1441 B9R0.1 CO[C@H](C)CNCC(C)C 284d58f552741a463ef3d3ba62eebdf1 [0,1,0,0,0,1|1,0,1]=4 1442 B9R0.1 CO[C@H](C)CNCC(C)O 01b9d06b608862427e315bcad8c32ab5 [0,1,0,0,0,1|1,0,1]=4 1443 B9R0.1 CO[C@H](C)CNC[C@@H](C)O 6cc95f121665dfaa5bd6aa1377245ac6 [0,1,0,0,0,1|1,0,1]=4 1444 B9R0.1 CO[C@H](C)CNC[C@H](C)O 1bc3d741d908f657eb5a2becb235b602 [0,1,0,0,0,1|1,0,1]=4 1445 B9R0.1 CO[C@H](C)CNC[N+](=O)[O-] b31638746f7b2de3733400e25e9fca69 [0,1,0,0,0,1|1,0,1]=4 1446 B9R0.1 CO[C@H](C)COCC(=O)C 925cd39e23e3c2b6a4f7853c64166350 [0,1,0,0,0,1|1,0,0]=3 1447 B9R0.1 CO[C@H](C)COCC(=O)N ca233f244286a0b7232c14b3d8ba2757 [0,1,0,0,0,1|1,0,0]=3 1448 B9R0.1 CO[C@H](C)COCC(=O)O 1bc7d85404b0152996a2e6730e1ced0b [0,1,0,0,0,1|0,0,0]=2 1449 B9R0.1 CO[C@H](C)COCC(=S)N 0f8a23bc0677db873bb8371375c44cc6 [0,1,0,0,0,1|1,1,0]=4 1450 B9R0.1 CO[C@H](C)COCC(C)C 442b6bd65f36f3ee522bd26e4654ff96 [0,1,0,0,0,1|1,0,1]=4 1451 B9R0.1 CO[C@H](C)COCS(=O)O 19475c8640a8c02734eb8ca4e49bb7ed [0,1,0,0,0,1|1,0,0]=3 1452 B9R0.1 CO[C@H](C)COC[N+](=O)[O-] 3263025713934f8cfb4ab1ad63cd8a5c [0,1,0,0,0,1|1,0,1]=4 1453 B9R0.1 CS(=O)CCNC(=O)CO c0a16e6dcacf7f42146bfd165cf68c28 [0,1,0,0,0,1|2,0,0]=4 1454 B9R0.1 C[C@@H](CO)CNCC(=O)N 95d4f46f098a8874b30eaaa2710258a6 [0,1,0,0,0,1|1,0,0]=3 1455 B9R0.1 C[C@@H](CO)CNCC(=O)O f57e9d31ced751b25fdd665565e647c4 [0,1,0,0,0,1|0,0,0]=2 1456 B9R0.1 C[C@@H](CO)CNC[C@@H](C)O 94e5d000161cd57d789b79426a54d9a9 [0,1,0,0,0,1|1,0,1]=4 1457 B9R0.1 C[C@@H](CO)CNC[C@H](C)O 6f3e572c3cb1772de670e4af4bc384a7 [0,1,0,0,0,1|1,0,1]=4 1458 B9R0.1 C[C@@H](CO)NCCC(=O)N 81eea7dbe7f903d97595b667a60b47f9 [0,1,0,0,0,1|1,0,0]=3 1459 B9R0.1 C[C@@H](CO)NCCC(=O)O b5ac644d36a232bdd1950d74e0718263 [0,1,0,0,0,1|0,0,0]=2 1460 B9R0.1 C[C@@H](CO)NCCC(=S)N 45f4022439511f12eb704273da6d8c9f [0,1,0,0,0,1|1,1,0]=4 1461 B9R0.1 C[C@@H](CO)NCCS(=O)C f4964b3f821d948ef31dcd773e6d1e7b [0,1,0,0,0,1|2,0,0]=4 1462 B9R0.1 C[C@@H](CO)NCCS(=O)O 1e1fd01bdcf7dd1461208ea5f8e01cea [0,1,0,0,0,1|1,0,0]=3 1463 B9R0.1 C[C@@H](CO)NCSC(=O)N 1f91c2772e5ac2a2bdfb3044758a38ec [0,1,0,0,0,1|2,0,0]=4 1464 B9R0.1 C[C@@H](O)CCNC(=O)C=O 39832c64815f6d3c92ea5a825a51a324 [0,1,0,0,0,1|1,0,1]=4 1465 B9R0.1 C[C@@H](O)CCNC(=O)CF 9cc194dd6bae57ed21d1c6a3807cb763 [0,1,0,0,0,1|2,0,0]=4 1466 B9R0.1 C[C@@H](O)CCNC(=O)CO 0f403648615901397e48f6d9f0579495 [0,1,0,0,0,1|1,0,0]=3 1467 B9R0.1 C[C@@H](O)CCNC(=O)CS 5041dae96f818c0eb7fcd213a28aa8a7 [0,1,0,0,0,1|1,1,0]=4 1468 B9R0.1 C[C@@H](O)CCN[C@@H](C)CO a71fb686540e4ec33b5180342c443c5e [0,1,0,0,0,1|1,0,1]=4 1469 B9R0.1 C[C@@H](O)CNCC(=O)CO c4b1bfbab60225c4c1c90acf845e538d [0,1,0,0,0,1|1,0,0]=3 1470 B9R0.1 C[C@@H](O)CNCC(=O)NO 46b237d24ec9cc50d6b1a995633af109 [0,1,0,0,0,1|1,0,0]=3 1471 B9R0.1 C[C@H](C=O)NCCC(=O)N 57a3c92d9100fb4c15bb11d07cab3b3b [0,1,0,0,0,1|1,0,1]=4 1472 B9R0.1 C[C@H](C=O)NCCC(=O)O 568b307ebcb4ab5b4df113dd91c9a6dc [0,1,0,0,0,1|0,0,1]=3 1473 B9R0.1 C[C@H](C=O)NCCS(=O)O 16c57c2a89c360c6e6357bad716217cd [0,1,0,0,0,1|1,0,1]=4 1474 B9R0.1 C[C@H](C=O)OCCC(=O)N 6c390f4a6745397018a94d322ce456f3 [0,1,0,0,0,1|1,0,1]=4 1475 B9R0.1 C[C@H](C=O)OCCC(=O)O 6123759046df411af3794a1ca6644131 [0,1,0,0,0,1|0,0,1]=3 1476 B9R0.1 C[C@H](CO)CNCC(=O)N 54d59c4b8d1eedf9603fa590919322a3 [0,1,0,0,0,1|1,0,0]=3 1477 B9R0.1 C[C@H](CO)CNCC(=O)O ce3fe074090d41b3d881458baf420cde [0,1,0,0,0,1|0,0,0]=2 1478 B9R0.1 C[C@H](CO)CNC[C@@H](C)O 48769ee9bafd9ea5d8b17fbfef36f7c1 [0,1,0,0,0,1|1,0,1]=4 1479 B9R0.1 C[C@H](CO)CNC[C@H](C)O 577c96bea6c0a93ea8722079a031d745 [0,1,0,0,0,1|1,0,1]=4 1480 B9R0.1 C[C@H](CO)CNC[N+](=O)[O-] 01ac399dd79909fbefd49bf5db75a023 [0,1,0,0,0,1|1,0,1]=4 1481 B9R0.1 C[C@H](CO)NCCC(=O)N 9104073cf14f07aa3bfbe209e7cf4529 [0,1,0,0,0,1|1,0,0]=3 1482 B9R0.1 C[C@H](CO)NCCC(=O)O a31ff9e016b023eff4f0af52b348f8ec [0,1,0,0,0,1|0,0,0]=2 1483 B9R0.1 C[C@H](CO)NCCC(=S)N 3c05d8fed84031e5e606f4f3621d24e3 [0,1,0,0,0,1|1,1,0]=4 1484 B9R0.1 C[C@H](CO)NCCS(=O)C 0db5deaa7a080d2dd7dd201b4a141f17 [0,1,0,0,0,1|2,0,0]=4 1485 B9R0.1 C[C@H](CO)NCCS(=O)O bc5457376529f9b425df01e6c2085a40 [0,1,0,0,0,1|1,0,0]=3 1486 B9R0.1 C[C@H](CO)NCC[C@@H](C)O 7b76000cb241536505e7d7f723270b1c [0,1,0,0,0,1|1,0,1]=4 1487 B9R0.1 C[C@H](CO)NCSC(=O)N 6b3cba2db784fea63cd80b279b8c8884 [0,1,0,0,0,1|2,0,0]=4 1488 B9R0.1 C[C@H](CS)OCCC(=O)N b70342dff22e2acfef39f97500e9adb6 [0,1,0,0,0,1|1,0,0]=3 1489 B9R0.1 C[C@H](CS)OCCS(=O)C c126240f5843593af255f51f3672cf07 [0,1,0,0,0,1|2,0,0]=4 1490 B9R0.1 C[C@H](CS)OCSC(=O)N 7b21992cd5b638bbb1e4b23fd957ad40 [0,1,0,0,0,1|2,0,0]=4 1491 B9R0.1 C[C@H](O)CCNC(=O)C=O 3260c79bc167bb2c467ba0f7ea799ebb [0,1,0,0,0,1|1,0,1]=4 1492 B9R0.1 C[C@H](O)CCNC(=O)CF dccbd1b5eb2b603c877a00069e3b10a6 [0,1,0,0,0,1|2,0,0]=4 1493 B9R0.1 C[C@H](O)CCNC(=O)CO c73ce75cfe06fe5a627e4cd5009891c1 [0,1,0,0,0,1|1,0,0]=3 1494 B9R0.1 C[C@H](O)CCNC(=O)CS c3c8ad3bd970fc3ad723d2f4eede6a9b [0,1,0,0,0,1|1,1,0]=4 1495 B9R0.1 C[C@H](O)CCN[C@@H](C)CO b8a9d3095d2e4d755b66cfac1759e6f4 [0,1,0,0,0,1|1,0,1]=4 1496 B9R0.1 C[C@H](O)CCN[C@H](C)CO 97a4c9e55265b6ba807d7b3c1251c82f [0,1,0,0,0,1|1,0,1]=4 1497 B9R0.1 C[C@H](O)CNCC(=O)CO fdb7bd0552475296e5cbc57855b89671 [0,1,0,0,0,1|1,0,0]=3 1498 B9R0.1 C[C@H](O)CNCC(=O)NO c352129f10875414666752fe0d29f814 [0,1,0,0,0,1|1,0,0]=3 1499 B9R0.1 NC(=O)CNCC(Br)CBr 72f16a9d118816c5c965d7f812c6d81f [0,1,0,0,0,1|2,0,0]=4 1500 B9R0.1 NC(=O)CNCC(F)CO 57d703cf810e24eae7a888b046d6fec6 [0,1,0,0,0,1|2,0,0]=4 1501 B9R0.1 NC(=O)CNCC(O)CF 1338ba6fc5ebaf27ea5f9f606ff49f58 [0,1,0,0,0,1|2,0,0]=4 1502 B9R0.1 NC(=O)CNCC(O)CO fe4a86fd151743dd0b9ded1e0af5af8f [0,1,0,0,0,1|2,0,0]=4 1503 B9R0.1 NC(=O)CNC[C@@H](F)CO ec17e4a873171e0e831e9372020ba1a6 [0,1,0,0,0,1|2,0,0]=4 1504 B9R0.1 NC(=O)CNC[C@@H](O)CO 4fa84f02313a101ba566c64233f5bb99 [0,1,0,0,0,1|2,0,0]=4 1505 B9R0.1 NC(=O)CNC[C@H](F)CO a7c05a924b239326a1922acfb088d2f3 [0,1,0,0,0,1|2,0,0]=4 1506 B9R0.1 NC(=O)CNC[C@H](O)CO 036c84b825350672b7fa7729cd0fb014 [0,1,0,0,0,1|2,0,0]=4 1507 B9R0.1 NC(=O)COCC(Br)CBr c1281a01e16429d77845b2e0267540b5 [0,1,0,0,0,1|2,0,0]=4 1508 B9R0.1 NC(=O)COCC(Cl)CCl bf3648529fbc2a76421155d5326404ff [0,1,0,0,0,1|2,0,0]=4 1509 B9R0.1 NC(=O)COCC(O)CO e5d7c23e48aadaa516f0566aca250137 [0,1,0,0,0,1|2,0,0]=4 1510 B9R0.1 NC(=O)COCC(S)CS 77cb67c757a8cbe9c08d0589d0c32bb1 [0,1,0,0,0,1|2,0,0]=4 1511 B9R0.1 NC(=O)COC[C@@H](O)CO 09b51a3e6eabb9bb44b99d8e29a364c3 [0,1,0,0,0,1|2,0,0]=4 1512 B9R0.1 NC(=O)COC[C@H](O)CO 987eb7b52c756f8fdc68c5d9ed3f5e23 [0,1,0,0,0,1|2,0,0]=4 1513 B9R0.1 O=C(CNCC(F)F)NO 53e336ce9f495969a6827739f3043169 [0,1,0,0,0,1|2,0,0]=4 1514 B9R0.1 O=C(CO)CNCC(F)F 3055651892d668ffaeabb74c3c47ff6e [0,1,0,0,0,1|2,0,0]=4 1515 B9R0.1 O=C(CO)NCCC(F)F 232f6b3b2fecf6f4056a1a8d1eebeb88 [0,1,0,0,0,1|2,0,0]=4 1516 B9R0.1 O=C(O)CNCC(=O)CO 67ffc001715ccd674ca2190fd74d727d [0,1,0,0,0,1|1,0,1]=4 1517 B9R0.1 O=C(O)CNCC(Br)CBr ef99ec62c4dafd35d1f7c73687c4dec8 [0,1,0,0,0,1|1,0,0]=3 1518 B9R0.1 O=C(O)CNCC(F)CO 85480065cb6f22ce4951c43a5529025b [0,1,0,0,0,1|1,0,0]=3 1519 B9R0.1 O=C(O)CNCC(O)CF 7fd10536ea2bd1a0c281f0149c46efaf [0,1,0,0,0,1|1,0,0]=3 1520 B9R0.1 O=C(O)CNCC(O)CO 5f4a685d53a0215015208fab45cb0871 [0,1,0,0,0,1|1,0,0]=3 1521 B9R0.1 O=C(O)CNC[C@@H](F)CO b256d92caab1484241eb0944f0d426c8 [0,1,0,0,0,1|1,0,0]=3 1522 B9R0.1 O=C(O)CNC[C@@H](O)CO 2e94e974e33de52da795c25edb2b7b46 [0,1,0,0,0,1|1,0,0]=3 1523 B9R0.1 O=C(O)CNC[C@H](F)CO 88b9d73cd1b06b779c0e456bbf2e093b [0,1,0,0,0,1|1,0,0]=3 1524 B9R0.1 O=C(O)CNC[C@H](O)CO 54e6a925352e55eb05de7ec2030c642a [0,1,0,0,0,1|1,0,0]=3 1525 B9R0.1 O=C(O)COCC(Br)CBr c9888022ccc9e04c0d413c09e25a4398 [0,1,0,0,0,1|1,0,0]=3 1526 B9R0.1 O=C(O)COCC(Cl)CCl 994d616ba6176a710bbd4f21d078567d [0,1,0,0,0,1|1,0,0]=3 1527 B9R0.1 O=C(O)COCC(O)CO 250d3f6a92b33993adc8c4afdc32ab2a [0,1,0,0,0,1|1,0,0]=3 1528 B9R0.1 O=C(O)COCC(S)CS b6b6009a9d63c8f64670de6b0713a6af [0,1,0,0,0,1|1,0,0]=3 1529 B9R0.1 O=C(O)COC[C@@H](O)CO 60e0a11559d7478c0b36eb2f406dfa86 [0,1,0,0,0,1|1,0,0]=3 1530 B9R0.1 O=C(O)COC[C@H](O)CO 846143e05728715a8a55aff47672ac25 [0,1,0,0,0,1|1,0,0]=3 1531 B9R0.1 O=S(O)COCC(O)CO f199cb63a274dd3500fbaab27c6a66d0 [0,1,0,0,0,1|2,0,0]=4 1532 B9R0.1 O=S(O)COC[C@@H](O)CO c26418599d510bde6813fa33eb165dca [0,1,0,0,0,1|2,0,0]=4 1533 B9R0.1 O=S(O)COC[C@H](O)CO 6f5a4c9cf6b2dc3e46db763efb23bd39 [0,1,0,0,0,1|2,0,0]=4 1534 B9R0.7 C=C(Br)CNC(C)C(C)C bcaf8acd05ffd083ce1dcee86411a852 [0,1,0,0,0,1|2,0,0]=4 1535 B9R0.7 C=C(Br)CN[C@@H](C)C(C)C cf1d40de8e3c518969d873906b144370 [0,1,0,0,0,1|2,0,0]=4 1536 B9R0.7 C=C(Br)CN[C@H](C)C(C)C f224bcaadb0a66d64f8c5fcc177602b5 [0,1,0,0,0,1|2,0,0]=4 1537 B9R0.7 C=C(Br)COC(C)C(C)C 553bb29a0f6cfd88896e4db98c0a3b14 [0,1,0,0,0,1|2,0,0]=4 1538 B9R0.7 C=C(Br)CO[C@@H](C)C(C)C a7301f99117fabb68612acf3dd81f999 [0,1,0,0,0,1|2,0,0]=4 1539 B9R0.7 C=C(Br)CO[C@H](C)C(C)C 99d482f42759c2a0416107df034bb1dc [0,1,0,0,0,1|2,0,0]=4 1540 B9R0.7 C=C(C)CCN(C)C(C)C c88db248f6d780567d0741064cc9c64a [0,1,0,0,0,1|2,0,0]=4 1541 B9R0.7 C=C(C)CNC(C)C(=O)O 71c7739e8b991e4abf0435840a700d0a [0,1,0,0,0,1|0,0,2]=4 1542 B9R0.7 C=C(C)CNC(C)C(C)C ed97aa100e7870a826c1b82a74bfd021 [0,1,0,0,0,1|2,0,0]=4 1543 B9R0.7 C=C(C)CNC(O)C(=O)O 94b0a208e5c50adf06a4627f23c6b8af [0,1,0,0,0,1|0,0,2]=4 1544 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O e7bfbf33da3040405841b806d36ec309 [0,1,0,0,0,1|0,0,2]=4 1545 B9R0.7 C=C(C)CN[C@@H](C)C(C)C 32575650cc5b3ce46f11149c561f66a5 [0,1,0,0,0,1|2,0,0]=4 1546 B9R0.7 C=C(C)CN[C@H](C)C(=O)O cd53bb67574651329e24959a91da937e [0,1,0,0,0,1|0,0,2]=4 1547 B9R0.7 C=C(C)CN[C@H](C)C(C)C 7d6e482dea52371db63c1d27e21e6394 [0,1,0,0,0,1|2,0,0]=4 1548 B9R0.7 C=C(C)COC(C)C(=O)O ed04993e273c116d7e5f18b49ab43ad1 [0,1,0,0,0,1|0,0,2]=4 1549 B9R0.7 C=C(C)COC(C)C(C)C a82fd731a384af44821b942737441e91 [0,1,0,0,0,1|2,0,0]=4 1550 B9R0.7 C=C(C)CO[C@@H](C)C(=O)O a50f171d31d69d7b32f91370f5a6fc24 [0,1,0,0,0,1|0,0,2]=4 1551 B9R0.7 C=C(C)CO[C@@H](C)C(C)C cdf02811be989a2c781e180a1682d1ae [0,1,0,0,0,1|2,0,0]=4 1552 B9R0.7 C=C(C)CO[C@H](C)C(=O)O c708914884c2538adc7cf2cddac67a9b [0,1,0,0,0,1|0,0,2]=4 1553 B9R0.7 C=C(C)CO[C@H](C)C(C)C fa68a3054bf1ef1472a92ad5ee3edb80 [0,1,0,0,0,1|2,0,0]=4 1554 B9R0.7 C=C(COC(C)C)C(=O)O 08af2dc39e62b65e4314b95084281cb8 [0,1,0,0,0,1|0,0,1]=3 1555 B9R0.7 C=C(Cl)CNC(C)C(C)C afbeba5cdd7488aaec4f56d1cec6aefd [0,1,0,0,0,1|2,0,0]=4 1556 B9R0.7 C=C(Cl)CN[C@@H](C)C(C)C a7e67cba2052df638af7b75bd210f822 [0,1,0,0,0,1|2,0,0]=4 1557 B9R0.7 C=C(Cl)CN[C@H](C)C(C)C f76e2089c6dd6a2c6efc77cde67df77f [0,1,0,0,0,1|2,0,0]=4 1558 B9R0.7 C=C(Cl)COC(C)C(C)C 3001776a0bbd39da2a60b6054e902b9b [0,1,0,0,0,1|2,0,0]=4 1559 B9R0.7 C=C(Cl)CO[C@@H](C)C(C)C bd0afc1c4cb474d710b4ab9ffc233b7c [0,1,0,0,0,1|2,0,0]=4 1560 B9R0.7 C=C(Cl)CO[C@H](C)C(C)C 12c49c051e4c1c4da437605211965da9 [0,1,0,0,0,1|2,0,0]=4 1561 B9R0.7 C=C(F)CNC(C)C(C)C 409e63149589333ff415c746db9d9829 [0,1,0,0,0,1|2,0,0]=4 1562 B9R0.7 C=C(F)CN[C@@H](C)C(C)C 28fdfa3c16dcb4620c732c51fd5cfe8b [0,1,0,0,0,1|2,0,0]=4 1563 B9R0.7 C=C(F)CN[C@H](C)C(C)C a87dfe7521615c1f0093b484bb0287df [0,1,0,0,0,1|2,0,0]=4 1564 B9R0.7 C=C(I)COC(C)C(C)C d15eda407b77341d90d811e8785e819b [0,1,0,0,0,1|2,0,0]=4 1565 B9R0.7 C=C(I)[C@H](C)COC(C)C adafd3def08fbf6030c2e2e40de6f55c [0,1,0,0,0,1|2,0,0]=4 1566 B9R0.7 CC(=O)C(=O)COC(C)C 54d4688b93c903c69f0b1be1e953d6a6 [0,1,0,0,0,1|1,0,1]=4 1567 B9R0.7 CC(=O)C(=O)NCC(C)C b29618f1c8ca27f367008990e8e5a8b7 [0,1,0,0,0,1|1,0,1]=4 1568 B9R0.7 CC(=O)C(C)COC(C)C 1df3af33bb10f4130bd5a1f178c7f9bf [0,1,0,0,0,1|1,0,0]=3 1569 B9R0.7 CC(=O)C(C)NCC(=O)O 71016da385f2899dc86054b0d9f13d55 [0,1,0,0,0,1|1,0,1]=4 1570 B9R0.7 CC(=O)C(C)NCC(C)C 6c7b0a051632092ac486b69a0f1d681e [0,1,0,0,0,1|1,0,0]=3 1571 B9R0.7 CC(=O)C(C)NCC(C)O 356fd4969f309cd17504ab4716b94b6b [0,1,0,0,0,1|2,0,0]=4 1572 B9R0.7 CC(=O)C(C)NC[C@@H](C)O 4d15f3f2bfa0fb88c4597ad63dd7383a [0,1,0,0,0,1|2,0,0]=4 1573 B9R0.7 CC(=O)C(C)NC[C@H](C)O 9f16d7df284b4ed6122cd930dc772e91 [0,1,0,0,0,1|2,0,0]=4 1574 B9R0.7 CC(=O)C(C)OCC(=O)O 3f4f655e2a9645b79486aa39f2af2bc2 [0,1,0,0,0,1|1,0,1]=4 1575 B9R0.7 CC(=O)C(C)OCC(C)C b597db97ba4a1b37c01b4596aa7d0e32 [0,1,0,0,0,1|1,0,0]=3 1576 B9R0.7 CC(=O)C(C)OCC(C)F 4b45b9d962ab1d259ccbdd28caf6e6fa [0,1,0,0,0,1|2,0,0]=4 1577 B9R0.7 CC(=O)C(C)OCC(C)S 17627540e8ffdc051ce55846de2b0596 [0,1,0,0,0,1|2,0,0]=4 1578 B9R0.7 CC(=O)C(C)OCN(C)C 4a9ba59316231dd2931d4f58984dee40 [0,1,0,0,0,1|2,0,0]=4 1579 B9R0.7 CC(=O)C(C)OC[C@@H](C)F 784436d88442fe992770881e7dbe9a49 [0,1,0,0,0,1|2,0,0]=4 1580 B9R0.7 CC(=O)C(C)OC[C@H](C)F 19debbdbd9a9952a7cd21699233057a4 [0,1,0,0,0,1|2,0,0]=4 1581 B9R0.7 CC(=O)CCN(C)C(C)C 953e9eb410ac9c63c02a43039dc6096e [0,1,0,0,0,1|1,0,0]=3 1582 B9R0.7 CC(=O)CNC(C)C(C)C 49d344dd635df977b0c6dee157c4688f [0,1,0,0,0,1|1,0,0]=3 1583 B9R0.7 CC(=O)COC(C)C(C)C 26f6e721def9fa22bc31decfa670c9f4 [0,1,0,0,0,1|1,0,0]=3 1584 B9R0.7 CC(=O)N(C)CCC(C)C 03460f6ce3739b97dbe7cb48c9ad3fa8 [0,1,0,0,0,1|1,0,0]=3 1585 B9R0.7 CC(=O)N(C)CCC(C)O a22cb8ae531445da2a841089e0f36632 [0,1,0,0,0,1|2,0,0]=4 1586 B9R0.7 CC(=O)N(C)CCN(C)C 0a555203862ba23ae43e50cdeba6d1b7 [0,1,0,0,0,1|2,0,0]=4 1587 B9R0.7 CC(=O)NCC(C)N(C)C 985e7b721e2dd08706acb6db4f58999a [0,1,0,0,0,1|2,0,0]=4 1588 B9R0.7 CC(=O)NCC(O)C(C)C 9eb894e521c6def6d6887ec5adad728c [0,1,0,0,0,1|1,0,0]=3 1589 B9R0.7 CC(=O)OCN(C)C(C)C d1ebe6c410268e0baa452260763bf686 [0,1,0,0,0,1|2,0,0]=4 1590 B9R0.7 CC(C)C(C)NCC(=O)N 29ed07977c474be87c0f6b20e5b20a1e [0,1,0,0,0,1|1,0,0]=3 1591 B9R0.7 CC(C)C(C)NCC(=O)O 91d49b00bc2f98925645db40aaffec23 [0,1,0,0,0,1|0,0,0]=2 1592 B9R0.7 CC(C)C(C)NC[C@@H](C)O 7b1c4e7001e44c1fdbc92acff117ed25 [0,1,0,0,0,1|1,0,1]=4 1593 B9R0.7 CC(C)C(C)NC[C@H](C)O 1feb99aa9834cff3da645bd8bf526b26 [0,1,0,0,0,1|1,0,1]=4 1594 B9R0.7 CC(C)C(C)NC[N+](=O)[O-] cdf8bcf7f54f64a4fd4d73fe819b3ea8 [0,1,0,0,0,1|1,0,1]=4 1595 B9R0.7 CC(C)C(C)OCC(=O)N 19f85b2c4636dac9a2e7b5a079f3133e [0,1,0,0,0,1|1,0,0]=3 1596 B9R0.7 CC(C)C(C)OCC(=O)O 5453f2b0fdd958a9ddf47053a2bbc46a [0,1,0,0,0,1|0,0,0]=2 1597 B9R0.7 CC(C)C(C)OCC(=S)N 185d7e5ca7d5cdfa1c150c45e532a9ac [0,1,0,0,0,1|1,1,0]=4 1598 B9R0.7 CC(C)C(C)OCS(=O)O 7646e27cd56e6ff28d9b085da3996564 [0,1,0,0,0,1|1,0,0]=3 1599 B9R0.7 CC(C)C(C)OC[N+](=O)[O-] 6c5e849e047043eff080b9dc07165c65 [0,1,0,0,0,1|1,0,1]=4 1600 B9R0.7 CC(C)CNC(=O)C(=O)N 467548fd3f656b830c1aa75fc9c4fe09 [0,1,0,0,0,1|1,0,1]=4 1601 B9R0.7 CC(C)CNC(C)C(=O)N b020f738ddfc755301327996ecd3ef34 [0,1,0,0,0,1|1,0,0]=3 1602 B9R0.7 CC(C)CNC(C)C(=O)O 95f3f70da5c52d8fcff64d575b644cc6 [0,1,0,0,0,1|0,0,0]=2 1603 B9R0.7 CC(C)CNC(C)C(C)O 48d5d29b69b968b5ec8066bff1a02714 [0,1,0,0,0,1|1,0,1]=4 1604 B9R0.7 CC(C)CNC(F)C(=O)N 0339fc1ba5c23da33be8a11e3517bd33 [0,1,0,0,0,1|1,0,0]=3 1605 B9R0.7 CC(C)CNC(F)C(=O)O 3711a9670c069b61c1c67d7849298242 [0,1,0,0,0,1|0,0,0]=2 1606 B9R0.7 CC(C)CNC(O)C(=O)O 56c2775cf664a9536ae56c2e0f8fb5b9 [0,1,0,0,0,1|0,0,0]=2 1607 B9R0.7 CC(C)CN[C@@H](C)C(=O)N 42140e145de8857ee09b4399c82aa419 [0,1,0,0,0,1|1,0,0]=3 1608 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 8a76b9132fa71c37af073ea71f14d908 [0,1,0,0,0,1|0,0,0]=2 1609 B9R0.7 CC(C)CN[C@@H](F)C(=O)O ce55718c38f59931fe6cf543c7b3ebcf [0,1,0,0,0,1|0,0,0]=2 1610 B9R0.7 CC(C)CN[C@H](C)C(=O)N 066a1edbe5493c95d2f93d2ae1adc4dc [0,1,0,0,0,1|1,0,0]=3 1611 B9R0.7 CC(C)CN[C@H](C)C(=O)O 3f45bea020626ccc8ec99438f12126a4 [0,1,0,0,0,1|0,0,0]=2 1612 B9R0.7 CC(C)COC(C)C(=O)N a1b7d9c719cf4ab29d4aaac34c154695 [0,1,0,0,0,1|1,0,0]=3 1613 B9R0.7 CC(C)COC(C)C(=O)O 9c7c1c3df2d77d8f248ac9d91af8f53d [0,1,0,0,0,1|0,0,0]=2 1614 B9R0.7 CC(C)COC(F)C(=O)N 58a672aeeaaa49bf3ad9373858067d5d [0,1,0,0,0,1|1,0,0]=3 1615 B9R0.7 CC(C)CO[C@@H](C)C(=O)N 848f1c557bc303adf7829c20e448f4c2 [0,1,0,0,0,1|1,0,0]=3 1616 B9R0.7 CC(C)CO[C@@H](C)C(=O)O fd5777f1e2b1dc60074ed75e7679298b [0,1,0,0,0,1|0,0,0]=2 1617 B9R0.7 CC(C)CO[C@H](C)C(=O)N e11f5adb143cf401b3a7137fa2dbca3e [0,1,0,0,0,1|1,0,0]=3 1618 B9R0.7 CC(C)CO[C@H](C)C(=O)O a69c599a7201e956cef10d92e6f06c1a [0,1,0,0,0,1|0,0,0]=2 1619 B9R0.7 CC(C)N(C)CCC(=O)N 8256a8ae89777524df51537a764a076a [0,1,0,0,0,1|1,0,0]=3 1620 B9R0.7 CC(C)N(C)CCC(=O)O 9a4c4fa3008269d113851da06265fa69 [0,1,0,0,0,1|0,0,0]=2 1621 B9R0.7 CC(C)N(C)CCS(=O)C c1e1851dcaa234599a493cce07df270d [0,1,0,0,0,1|2,0,0]=4 1622 B9R0.7 CC(C)NCC(C)C(=O)O 48514b1b15d268c29686084b8a8d2d09 [0,1,0,0,0,1|0,0,0]=2 1623 B9R0.7 CC(C)NCC(F)C(=O)O 861691fa5d69b6285a7fb70768f89e36 [0,1,0,0,0,1|0,0,0]=2 1624 B9R0.7 CC(C)NCC(O)C(=O)O 3c07f41ba869fad28628ce0e0eb9eb4d [0,1,0,0,0,1|0,0,0]=2 1625 B9R0.7 CC(C)NC[C@@H](C)C(=O)O eeb01880b97f7b36610e05c2883a075b [0,1,0,0,0,1|0,0,0]=2 1626 B9R0.7 CC(C)NC[C@@H](O)C(=O)O eb6cf8a2e9cb3af443f150092edec970 [0,1,0,0,0,1|0,0,0]=2 1627 B9R0.7 CC(C)NC[C@H](C)C(=O)O 5780cd753c39f96a6d86de7929d8156a [0,1,0,0,0,1|0,0,0]=2 1628 B9R0.7 CC(C)NC[C@H](O)C(=O)O 84ab021a3398610ee2c835c2429ab0e4 [0,1,0,0,0,1|0,0,0]=2 1629 B9R0.7 CC(C)OCC(C)C(=O)O c21654bda41cff34c31217652ae24bef [0,1,0,0,0,1|0,0,0]=2 1630 B9R0.7 CC(C)OCC(C)[N+](=O)[O-] 370dce454080ef6510bab3f7b08245ba [0,1,0,0,0,1|1,0,1]=4 1631 B9R0.7 CC(C)OC[C@@H](C)C(=O)O 2e5187b7924c997fdbb6d21d5f5bf05b [0,1,0,0,0,1|0,0,0]=2 1632 B9R0.7 CC(C)OC[C@H](C)C(=O)O ea6a1b5296e92549506a331182057b42 [0,1,0,0,0,1|0,0,0]=2 1633 B9R0.7 CC(C)[C@@H](C)NCC(=O)N 9220e196f63e8a0e26317093c632072b [0,1,0,0,0,1|1,0,0]=3 1634 B9R0.7 CC(C)[C@@H](C)NCC(=O)O b819017e8dd0621ca989217241b6bdfb [0,1,0,0,0,1|0,0,0]=2 1635 B9R0.7 CC(C)[C@@H](C)NC[C@@H](C)O 7582842dfc997c252aba4f67aac34b2c [0,1,0,0,0,1|1,0,1]=4 1636 B9R0.7 CC(C)[C@@H](C)NC[C@H](C)O 25ff93f2d4e60956ef71f3fddb8d9db1 [0,1,0,0,0,1|1,0,1]=4 1637 B9R0.7 CC(C)[C@@H](C)NC[N+](=O)[O-] 6d14b89c316fd7d9a66426467f550408 [0,1,0,0,0,1|1,0,1]=4 1638 B9R0.7 CC(C)[C@@H](C)OCC(=O)N fe13bff61341db544e36d636b1021567 [0,1,0,0,0,1|1,0,0]=3 1639 B9R0.7 CC(C)[C@@H](C)OCC(=O)O 2c14ad2eaa4565aa59675b4818dba2b0 [0,1,0,0,0,1|0,0,0]=2 1640 B9R0.7 CC(C)[C@@H](C)OC[N+](=O)[O-] e72713ade7d779f262c7c6a470e65ecb [0,1,0,0,0,1|1,0,1]=4 1641 B9R0.7 CC(C)[C@H](C)NCC(=O)N 0470ce1c169866c2b6bb7b0f1c4fa837 [0,1,0,0,0,1|1,0,0]=3 1642 B9R0.7 CC(C)[C@H](C)NCC(=O)O 8157acac1e55fcb782ad50d024aa8bbc [0,1,0,0,0,1|0,0,0]=2 1643 B9R0.7 CC(C)[C@H](C)NC[C@@H](C)O da0a50c8f5c6db547339a821a872d328 [0,1,0,0,0,1|1,0,1]=4 1644 B9R0.7 CC(C)[C@H](C)NC[C@H](C)O dc73a40b357784d2098656474e845ebf [0,1,0,0,0,1|1,0,1]=4 1645 B9R0.7 CC(C)[C@H](C)NC[N+](=O)[O-] 7e825c0a9d2f19530dd69fde02ba55fd [0,1,0,0,0,1|1,0,1]=4 1646 B9R0.7 CC(C)[C@H](C)OCC(=O)N 8404fea7b9dd14a61bd0a4841aa3bb72 [0,1,0,0,0,1|1,0,0]=3 1647 B9R0.7 CC(C)[C@H](C)OCC(=O)O f61a165279ed49217ae1638fda607d49 [0,1,0,0,0,1|0,0,0]=2 1648 B9R0.7 CC(C)[C@H](C)OC[N+](=O)[O-] ecd17d011cf48bd35ed5bfe6a9835881 [0,1,0,0,0,1|1,0,1]=4 1649 B9R0.7 CC(F)COC(C)C(=O)N 98c8a00ae14f563f0337d21036fbe5be [0,1,0,0,0,1|2,0,0]=4 1650 B9R0.7 CC(F)COC(F)C(=O)N 614d72af69f61515fb9454c1456e53bc [0,1,0,0,0,1|2,0,0]=4 1651 B9R0.7 CC(F)CO[C@@H](C)C(=O)N c54fd31c4bae8b322ae459cd2520a987 [0,1,0,0,0,1|2,0,0]=4 1652 B9R0.7 CC(F)CO[C@H](C)C(=O)N 85ca1c7fc88910575dc46257e4d74687 [0,1,0,0,0,1|2,0,0]=4 1653 B9R0.7 CC(NCC(F)F)C(=O)O 30227a91f562e8a46383b161c0b5b082 [0,1,0,0,0,1|2,0,0]=4 1654 B9R0.7 CC(NCN(C)C)C(=O)N 8dcb759559b21aaa6d1937c771d8dce0 [0,1,0,0,0,1|2,0,0]=4 1655 B9R0.7 CC(NCN(C)C)C(=O)O e058f611a7944b54a8e4a69fa3d68dff [0,1,0,0,0,1|1,0,0]=3 1656 B9R0.7 CC(NC[C@@H](C)O)C(=O)N b05d26f56a3efdbcc0d499a4224e1ecd [0,1,0,0,0,1|2,0,0]=4 1657 B9R0.7 CC(NC[C@@H](C)O)C(=O)O e809ce2c26bcb016686927f7b1c7a395 [0,1,0,0,0,1|1,0,0]=3 1658 B9R0.7 CC(NC[C@H](C)O)C(=O)N 43e41ab48426e924877af39f8aa73801 [0,1,0,0,0,1|2,0,0]=4 1659 B9R0.7 CC(NC[C@H](C)O)C(=O)O d508d1661713f75e41ed860ce7457545 [0,1,0,0,0,1|1,0,0]=3 1660 B9R0.7 CC(O)C(C)NCC(=O)N 7496509e19670bdc224e84ca74f1c1f7 [0,1,0,0,0,1|2,0,0]=4 1661 B9R0.7 CC(O)C(C)NCC(=O)O 6fd6b2ea1088c99dba5e071db522af6e [0,1,0,0,0,1|1,0,0]=3 1662 B9R0.7 CC(O)CCN(C)C(C)C 88c06cdb4ab781e1ebf9539d9589f63d [0,1,0,0,0,1|1,0,1]=4 1663 B9R0.7 CC(O)CNC(C)C(=O)N b2f2cfe7a799cc612bbbea6ed9541147 [0,1,0,0,0,1|2,0,0]=4 1664 B9R0.7 CC(O)CNC(C)C(=O)O 8f378c3b2577a664e81978bed6d085ad [0,1,0,0,0,1|1,0,0]=3 1665 B9R0.7 CC(O)CNC(C)C(C)C 052c86a6c658fafeb40cef5f437f9f42 [0,1,0,0,0,1|1,0,1]=4 1666 B9R0.7 CC(O)CNC(F)C(=O)N edc47809a3355df77fff04bfe011e245 [0,1,0,0,0,1|2,0,0]=4 1667 B9R0.7 CC(O)CNC(O)C(=O)O 5e6094d83c3524909868e222ec813376 [0,1,0,0,0,1|1,0,0]=3 1668 B9R0.7 CC(O)CN[C@@H](C)C(=O)N 2acb655df554015ce43b7d2b5d827484 [0,1,0,0,0,1|2,0,0]=4 1669 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 5ddc35dc14ba5aa589c4aa25f6e3299a [0,1,0,0,0,1|1,0,0]=3 1670 B9R0.7 CC(O)CN[C@@H](C)C(C)C 2891d895b63d59840e8bb02acbf32cf3 [0,1,0,0,0,1|1,0,1]=4 1671 B9R0.7 CC(O)CN[C@H](C)C(=O)N 4fc43cefacc3f018d3258630cc8a3f43 [0,1,0,0,0,1|2,0,0]=4 1672 B9R0.7 CC(O)CN[C@H](C)C(=O)O 4d91ad475557f6f0126eddf20ec91d26 [0,1,0,0,0,1|1,0,0]=3 1673 B9R0.7 CC(O)CN[C@H](C)C(C)C 9614b7c81ab1b21fed447be2bbb5ddb1 [0,1,0,0,0,1|1,0,1]=4 1674 B9R0.7 CC(OCC(=O)O)C(F)F aa7277d54702b7135f99188aff0085ff [0,1,0,0,0,1|2,0,0]=4 1675 B9R0.7 CC(OCC(F)F)C(=O)O e5edbf28279b0de930381832beee983b [0,1,0,0,0,1|2,0,0]=4 1676 B9R0.7 CC(OCN(C)C)C(=O)N f8460304f50cd15bfa371430d825e6fb [0,1,0,0,0,1|2,0,0]=4 1677 B9R0.7 CC(OCN(C)C)C(=O)O 830922da04f3fb2cfe42d9f413964017 [0,1,0,0,0,1|1,0,0]=3 1678 B9R0.7 CC(OC[C@@H](C)F)C(=O)N aa25dffa85057ef5176776ad82f0a677 [0,1,0,0,0,1|2,0,0]=4 1679 B9R0.7 CC(OC[C@H](C)F)C(=O)N f14dd6863ef2a8fca3946ee24735fd1d [0,1,0,0,0,1|2,0,0]=4 1680 B9R0.7 CC(S)C(C)OCC(=O)N e54b95b00c0da3ace09de2f308d0efaa [0,1,0,0,0,1|2,0,0]=4 1681 B9R0.7 CC(S)C(C)OCC(=O)O 1c77a3f15c2b77600079151ecb5a4c83 [0,1,0,0,0,1|1,0,0]=3 1682 B9R0.7 CC(S)COC(C)C(=O)N 09a06861be9e8ad49b4c6bdb7fe03de6 [0,1,0,0,0,1|2,0,0]=4 1683 B9R0.7 CC(S)COC(F)C(=O)N 9f518d1e1cee86b0aa01924652d21137 [0,1,0,0,0,1|2,0,0]=4 1684 B9R0.7 CC(S)CO[C@@H](C)C(=O)N a1c5c8427fce425ae0a19b1122bc7cb8 [0,1,0,0,0,1|2,0,0]=4 1685 B9R0.7 CC(S)CO[C@H](C)C(=O)N ed5ae73cd216eceac126282692a31b49 [0,1,0,0,0,1|2,0,0]=4 1686 B9R0.7 CN(C)CNC(O)C(=O)O 514e27cf974abcb81fa8750ea67f9650 [0,1,0,0,0,1|1,0,0]=3 1687 B9R0.7 C[C@@H](F)COC(F)C(=O)N 143a987405ccdf9ef63ab99e0a6ac4fe [0,1,0,0,0,1|2,0,0]=4 1688 B9R0.7 C[C@@H](F)CO[C@H](C)C(=O)N 85186707520c9bdcceaaeeb0dd6bdd98 [0,1,0,0,0,1|2,0,0]=4 1689 B9R0.7 C[C@@H](NCC(=O)O)C(F)F d6c0d1283b99f71a9cedcfe517756b54 [0,1,0,0,0,1|2,0,0]=4 1690 B9R0.7 C[C@@H](NCC(F)F)C(=O)O b2e3e342b09fa553ce7a034846648c5f [0,1,0,0,0,1|2,0,0]=4 1691 B9R0.7 C[C@@H](NCN(C)C)C(=O)N 24542fa4f900cf957d378a7a38858e9d [0,1,0,0,0,1|2,0,0]=4 1692 B9R0.7 C[C@@H](NCN(C)C)C(=O)O b71bf2ae1b9b1319ba65f4a4616917da [0,1,0,0,0,1|1,0,0]=3 1693 B9R0.7 C[C@@H](O)CNC(F)C(=O)N 593851b37a3ea210c7783cb07d8d2d4f [0,1,0,0,0,1|2,0,0]=4 1694 B9R0.7 C[C@@H](O)CNC(O)C(=O)O 53522750083f40c42a75c8d1a51d10e1 [0,1,0,0,0,1|1,0,0]=3 1695 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 85ad88f174223beb7c09005bbe91d8ed [0,1,0,0,0,1|2,0,0]=4 1696 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)O 6c09363025908b429c9f6a9c87360a44 [0,1,0,0,0,1|1,0,0]=3 1697 B9R0.7 C[C@@H](OCC(F)F)C(=O)O 6b29f1fb1d84cecb31689a877498506f [0,1,0,0,0,1|2,0,0]=4 1698 B9R0.7 C[C@@H](OCN(C)C)C(=O)N e5bdaef1dd42343862797ab3b606e050 [0,1,0,0,0,1|2,0,0]=4 1699 B9R0.7 C[C@@H](OCN(C)C)C(=O)O 11c670991f4825d9b999539a20aaf0a4 [0,1,0,0,0,1|1,0,0]=3 1700 B9R0.7 C[C@H](F)COC(F)C(=O)N 21aa3b8be7d08c844234a8e13c1a3ff8 [0,1,0,0,0,1|2,0,0]=4 1701 B9R0.7 C[C@H](F)CO[C@@H](C)C(=O)N 1d1e26f31b0ede8a1a4173619d58d1a9 [0,1,0,0,0,1|2,0,0]=4 1702 B9R0.7 C[C@H](F)CO[C@H](C)C(=O)N 4978980db04779f6f9d07f2c78a33b9e [0,1,0,0,0,1|2,0,0]=4 1703 B9R0.7 C[C@H](NCC(=O)O)C(F)F ee792477aa9ffbfb10c972e3ed44479d [0,1,0,0,0,1|2,0,0]=4 1704 B9R0.7 C[C@H](NCC(F)F)C(=O)O 251d020a984c1cb72d88d234a8a17a99 [0,1,0,0,0,1|2,0,0]=4 1705 B9R0.7 C[C@H](NCN(C)C)C(=O)N f7d7611584e1f59276fc40186a8eeb84 [0,1,0,0,0,1|2,0,0]=4 1706 B9R0.7 C[C@H](NCN(C)C)C(=O)O 890cc561e2705dfd45b43ad18d204e90 [0,1,0,0,0,1|1,0,0]=3 1707 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)N 9186b0bf879390b7e6b1216544f3941d [0,1,0,0,0,1|2,0,0]=4 1708 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O e4a79b78aaf76db8d949999ecfcb00bc [0,1,0,0,0,1|1,0,0]=3 1709 B9R0.7 C[C@H](O)CNC(F)C(=O)N f51b654f9028e5bb7d95c497de0982c6 [0,1,0,0,0,1|2,0,0]=4 1710 B9R0.7 C[C@H](O)CNC(O)C(=O)O 2718c7b8bbc967e12d5b2f298426a47e [0,1,0,0,0,1|1,0,0]=3 1711 B9R0.7 C[C@H](O)CN[C@@H](C)C(=O)N 522623e7e0ef55aac4b5cf57f54b5583 [0,1,0,0,0,1|2,0,0]=4 1712 B9R0.7 C[C@H](O)CN[C@@H](C)C(=O)O 6a6c67ca6662759fc2db97e0c2faf3d9 [0,1,0,0,0,1|1,0,0]=3 1713 B9R0.7 C[C@H](O)CN[C@H](C)C(=O)N 90fad3e449890eb1c9ace917dfcc4c86 [0,1,0,0,0,1|2,0,0]=4 1714 B9R0.7 C[C@H](O)CN[C@H](C)C(=O)O 43b98191e964d18ae40cd9f3d82f80ac [0,1,0,0,0,1|1,0,0]=3 1715 B9R0.7 C[C@H](OCC(F)F)C(=O)O 9fe44fc5de2fc8e2e139e64adb563814 [0,1,0,0,0,1|2,0,0]=4 1716 B9R0.7 C[C@H](OCN(C)C)C(=O)N 507e95f7ca3bdfa73a55acf92016088b [0,1,0,0,0,1|2,0,0]=4 1717 B9R0.7 C[C@H](OCN(C)C)C(=O)O 9b0ce417c0ddb18430edfd9d891dd393 [0,1,0,0,0,1|1,0,0]=3 1718 B9R0.7 C[C@H](OC[C@@H](C)F)C(=O)N 8ec6553325b7f67e8d559bbcc89e4eac [0,1,0,0,0,1|2,0,0]=4 1719 B9R0.7 O=C(O)C(O)NCC(F)F 8aaf22bb2a60dc1efd0ad1eda063e065 [0,1,0,0,0,1|2,0,0]=4 1720 B9R0.53 C=C(Br)CN(C)CC(C)C 79db32250112452fb8bf708f0aa45c52 [0,1,0,0,0,1|2,0,0]=4 1721 B9R0.53 C=C(C)CN(C)CC(=O)O 4cf70052902d112170b9898763232e96 [0,1,0,0,0,1|0,0,2]=4 1722 B9R0.53 C=C(C)CN(C)CC(C)C 93b05068418e328476f290268bc69fb2 [0,1,0,0,0,1|2,0,0]=4 1723 B9R0.53 C=C(Cl)CN(C)CC(C)C c6898bfe0e8bafba2b2533a7780cdaef [0,1,0,0,0,1|2,0,0]=4 1724 B9R0.53 CC(=O)NC(C)CC(C)C 8d45cf038526f1f1b21f03625b96bc5a [0,1,0,0,0,1|1,0,0]=3 1725 B9R0.53 CC(=O)NC(C)CC(C)O 63f7a0b1a21e0057f34d593522b48745 [0,1,0,0,0,1|2,0,0]=4 1726 B9R0.53 CC(=O)NC(C)CN(C)C 080d07f4f5beebe3409fa257fb59297b [0,1,0,0,0,1|2,0,0]=4 1727 B9R0.53 CC(=O)N[C@@H](C)CN(C)C 43014c5d20c5c62fe7948d957118d7da [0,1,0,0,0,1|2,0,0]=4 1728 B9R0.53 CC(=O)N[C@H](C)CN(C)C 5230f06fe9ab231ef1d6e54a2b222624 [0,1,0,0,0,1|2,0,0]=4 1729 B9R0.53 CC(=O)OC(C)OC(C)C 15386f8b89c66ca0048e9c86cc06f7a3 [0,1,0,0,0,1|2,0,0]=4 1730 B9R0.53 CC(C)CN(C)CC(=O)N 5c9cc70a1c45a460bca69f8e74d95b33 [0,1,0,0,0,1|1,0,0]=3 1731 B9R0.53 CC(C)CN(C)CC(=O)O 8c62f4b6b1fb144868fb4d2e68a9ef67 [0,1,0,0,0,1|0,0,0]=2 1732 B9R0.53 CC(C)CN(C)CC(C)O e381baf736bb5aa0909b46cb1783d61c [0,1,0,0,0,1|1,0,1]=4 1733 B9R0.53 CC(C)CN(C)C[C@@H](C)O 92c98b046a648fc52a1c10cc4885143f [0,1,0,0,0,1|1,0,1]=4 1734 B9R0.53 CC(C)CN(C)C[C@H](C)O 8f5551f0035776f532f2ab37d68ace98 [0,1,0,0,0,1|1,0,1]=4 1735 B9R0.53 CC(C)CN(C)C[N+](=O)[O-] 7cb0c41f2e967c236a8b8da1472ea0a8 [0,1,0,0,0,1|1,0,1]=4 1736 B9R0.53 CC(C)NC(C)CC(=O)O 3f158c2507a9d14e5e314adf36bf882d [0,1,0,0,0,1|0,0,0]=2 1737 B9R0.53 CC(C)N[C@@H](C)CC(=O)O a9f55dfe91b2c83d047ae147d6dcde4a [0,1,0,0,0,1|0,0,0]=2 1738 B9R0.53 CC(C)N[C@H](C)CC(=O)O be43bec59f1dc06e78d63a1757b9b9df [0,1,0,0,0,1|0,0,0]=2 1739 B9R0.53 CC(C)OC(C)CC(=O)N 1a3f71026defdb4bc1466fbd6846828b [0,1,0,0,0,1|1,0,0]=3 1740 B9R0.53 CC(C)OC(C)CC(=O)O acd7e8b77db52152b38441c0f09dd249 [0,1,0,0,0,1|0,0,0]=2 1741 B9R0.53 CC(C)OC(C)C[N+](=O)[O-] 698ae1050b32f94d3e0e591f95f7e1a4 [0,1,0,0,0,1|1,0,1]=4 1742 B9R0.53 CC(C)O[C@@H](C)CC(=O)O dc36387ca698e3189cbbcbaa8e6d5745 [0,1,0,0,0,1|0,0,0]=2 1743 B9R0.53 CC(C)O[C@H](C)CC(=O)O f085fe61e3ea06f844e5841e23963683 [0,1,0,0,0,1|0,0,0]=2 1744 B9R0.53 CC(O)CC(C)NC(C)C 55ac7fbe1c7c61e2312d8d1392277ea7 [0,1,0,0,0,1|1,0,1]=4 1745 B9R0.53 CC(O)CN(C)CC(=O)N 0789383bf3113b2b66ba2f420a1c9ffa [0,1,0,0,0,1|2,0,0]=4 1746 B9R0.53 CC(O)CN(C)CC(=O)O 36b5f303d7d498b862a96e5f52dfaaee [0,1,0,0,0,1|1,0,0]=3 1747 B9R0.53 CN(C)CN(C)CC(=O)N c2057dea0758d7a4c21bee650518dce6 [0,1,0,0,0,1|2,0,0]=4 1748 B9R0.53 CN(C)CN(C)CC(=O)O 607e109ef7149c2b024c53aa781b5121 [0,1,0,0,0,1|1,0,0]=3 1749 B9R0.53 CN(CC(=O)O)CC(F)F c47cd36c81b539c29f59925d8656ca52 [0,1,0,0,0,1|2,0,0]=4 1750 B9R0.53 C[C@@H](O)CN(C)CC(=O)N 64d4e45be8472fd0e9cbc6e5a9974573 [0,1,0,0,0,1|2,0,0]=4 1751 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 5af70c256fb5937ef5e9d353811b57e0 [0,1,0,0,0,1|1,0,0]=3 1752 B9R0.53 C[C@H](O)CN(C)CC(=O)N 816fbfffe2b5a7af4d98a7fbc3565c00 [0,1,0,0,0,1|2,0,0]=4 1753 B9R0.53 C[C@H](O)CN(C)CC(=O)O be06a32a46d065021265c880ebd02b82 [0,1,0,0,0,1|1,0,0]=3 1754 B9R0.56 C=C(Br)CNCC(C)(C)C f3eb1ec08dffca7ed72e5ec060f33064 [0,1,0,0,0,1|2,0,0]=4 1755 B9R0.56 C=C(Br)CNCC(C)(C)F c3e1ba950f9d1d2b27cb6d52bb767b03 [0,1,0,0,0,1|2,0,0]=4 1756 B9R0.56 C=C(Br)CNCC(C)(C)O 012b66c6767c776969f6777836e71bf6 [0,1,0,0,0,1|2,0,0]=4 1757 B9R0.56 C=C(Br)COCC(C)(C)Br f335926f2ca7e0a1230f417fb83b8556 [0,1,0,0,0,1|2,0,0]=4 1758 B9R0.56 C=C(Br)COCC(C)(C)C 71b279577ddd25d4c646c08d3c3d0fbb [0,1,0,0,0,1|2,0,0]=4 1759 B9R0.56 C=C(Br)COCC(C)(C)F f1531159b8ead88ffe414bed499401a4 [0,1,0,0,0,1|2,0,0]=4 1760 B9R0.56 C=C(Br)COCC(C)(C)O 0e519dbee4b8d0aa5542cbad046c4c4d [0,1,0,0,0,1|2,0,0]=4 1761 B9R0.56 C=C(Br)COCC(C)(C)S 37363454f6c976816ebdda4a59d29dbf [0,1,0,0,0,1|2,0,0]=4 1762 B9R0.56 C=C(C)CCNC(C)(C)C 489c246d28aff2635645c255f27c0956 [0,1,0,0,0,1|2,0,0]=4 1763 B9R0.56 C=C(C)CNCC(C)(C)C c43ce0594602a1f8fea38f8e254fd7d6 [0,1,0,0,0,1|2,0,0]=4 1764 B9R0.56 C=C(C)CNCC(C)(C)F 528ff67341ea2173793915467ddad31e [0,1,0,0,0,1|2,0,0]=4 1765 B9R0.56 C=C(C)CNCC(C)(C)O 61935adea06a4afbd0d3404a03e43686 [0,1,0,0,0,1|2,0,0]=4 1766 B9R0.56 C=C(C)COCC(C)(C)Br 47f13004195ce192c149118eb37e099d [0,1,0,0,0,1|2,0,0]=4 1767 B9R0.56 C=C(C)COCC(C)(C)C f47d3eda0081792c7dacfc565e577c6e [0,1,0,0,0,1|2,0,0]=4 1768 B9R0.56 C=C(C)COCC(C)(C)F adda0a99cc8edeab202e3aad16d83ed5 [0,1,0,0,0,1|2,0,0]=4 1769 B9R0.56 C=C(C)COCC(C)(C)O 4b3e4e4cad56bc6a1a068fb6c90a3c16 [0,1,0,0,0,1|2,0,0]=4 1770 B9R0.56 C=C(C)COCC(C)(C)S a01e60099090a6cfea9b4661c6c98fd6 [0,1,0,0,0,1|2,0,0]=4 1771 B9R0.56 C=C(Cl)CNCC(C)(C)C 2baae573c6668a0d3c8453b2ad519a8e [0,1,0,0,0,1|2,0,0]=4 1772 B9R0.56 C=C(Cl)CNCC(C)(C)O 84e5d74742f36df507bf8d16d740635c [0,1,0,0,0,1|2,0,0]=4 1773 B9R0.56 C=C(Cl)COCC(C)(C)Br e2bef2bbc4637346d51b8cb68d68c6b0 [0,1,0,0,0,1|2,0,0]=4 1774 B9R0.56 C=C(Cl)COCC(C)(C)C 512276759b242cf7933afacb7bc78307 [0,1,0,0,0,1|2,0,0]=4 1775 B9R0.56 C=C(Cl)COCC(C)(C)F f1bd2a6a3350a46113df903678a1198f [0,1,0,0,0,1|2,0,0]=4 1776 B9R0.56 C=C(Cl)COCC(C)(C)O 80d365b150647f44791f81e1de0318ba [0,1,0,0,0,1|2,0,0]=4 1777 B9R0.56 C=C(Cl)COCC(C)(C)S 32c67aad363580d935f410f022d4cd9d [0,1,0,0,0,1|2,0,0]=4 1778 B9R0.56 C=C(F)CNCC(C)(C)C 05286a5ca87c33070f06f231bb80dbbb [0,1,0,0,0,1|2,0,0]=4 1779 B9R0.56 C=C(F)CNCC(C)(C)O da76ed145a1e703d7f19455a6a5ca1ab [0,1,0,0,0,1|2,0,0]=4 1780 B9R0.56 C=C(F)COCC(C)(C)Br 1cccef9a3089df4d3539130ab5503fbe [0,1,0,0,0,1|2,0,0]=4 1781 B9R0.56 C=C(F)COCC(C)(C)C dcfca757c6fea4311b1d34b3b60e89aa [0,1,0,0,0,1|2,0,0]=4 1782 B9R0.56 C=C(F)COCC(C)(C)F eb412dd109537e873164bf4c7ee4c07a [0,1,0,0,0,1|2,0,0]=4 1783 B9R0.56 C=C(F)COCC(C)(C)O d8a09c0f7ae8681b7121c87ba646b1bc [0,1,0,0,0,1|2,0,0]=4 1784 B9R0.56 C=C(F)COCC(C)(C)S 72fcf1d65c0aa6d6e56e02428ebc6286 [0,1,0,0,0,1|2,0,0]=4 1785 B9R0.56 C=C(I)COCC(C)(C)C 484ff086ac4a16099ee2dd63bc802acf [0,1,0,0,0,1|2,0,0]=4 1786 B9R0.56 C=C(I)COCC(C)(C)F cf670c4dee9d593ebec4a89cc683843c [0,1,0,0,0,1|2,0,0]=4 1787 B9R0.56 C=C(I)COCC(C)(C)O 9f7c84f0e373b1c3bee60737449968b1 [0,1,0,0,0,1|2,0,0]=4 1788 B9R0.56 CC(=O)CCNC(C)(C)C b023779b0c0e2fe6baca0495d01629b4 [0,1,0,0,0,1|1,0,0]=3 1789 B9R0.56 CC(=O)CNCC(C)(C)C 5a51c105adf08d92886d7a3ab7ae9e9d [0,1,0,0,0,1|1,0,0]=3 1790 B9R0.56 CC(=O)CNCC(C)(C)F 74895cd62fe2c6ac74fb3ee8a698e2eb [0,1,0,0,0,1|1,0,0]=3 1791 B9R0.56 CC(=O)CNCC(C)(C)O 4768c2ef33c494cf1cb460ccf8992d46 [0,1,0,0,0,1|1,0,0]=3 1792 B9R0.56 CC(=O)CNCC(C)(F)F c38eb95aebf2633d2a4073a9044638ea [0,1,0,0,0,1|2,0,0]=4 1793 B9R0.56 CC(=O)COCC(C)(C)C f73e33947450f6ad37f584c3c3998373 [0,1,0,0,0,1|1,0,0]=3 1794 B9R0.56 CC(=O)COCC(C)(C)F 040adf90b02e2e8f95db01e20e6b7a90 [0,1,0,0,0,1|1,0,0]=3 1795 B9R0.56 CC(=O)COCC(C)(C)O 968af8323febdab174c481fb970167e4 [0,1,0,0,0,1|1,0,0]=3 1796 B9R0.56 CC(=O)COCC(C)(F)F e5ee2abb87398e5dda9c35d1fb1493ca [0,1,0,0,0,1|2,0,0]=4 1797 B9R0.56 CC(=O)NCCC(C)(C)C f95154014d81ef922c5c8e15b85f55af [0,1,0,0,0,1|1,0,0]=3 1798 B9R0.56 CC(=O)NCCC(C)(C)F 3cd44a4c80393044cdba6a12ba4f030d [0,1,0,0,0,1|1,0,0]=3 1799 B9R0.56 CC(=O)NCCC(C)(C)O 09bac841bd2153dd8b07a31d7318af00 [0,1,0,0,0,1|1,0,0]=3 1800 B9R0.56 CC(=O)OCNC(C)(C)C b83433bb442b5fd68635d3d5756f7cca [0,1,0,0,0,1|2,0,0]=4 1801 B9R0.56 CC(C)(Br)COCC(=O)N 5348d2be9281a0f988bfdfbba4d4aa26 [0,1,0,0,0,1|1,0,0]=3 1802 B9R0.56 CC(C)(Br)COCC(=O)O f4b3dda029b687e1e93d6714516341ca [0,1,0,0,0,1|0,0,0]=2 1803 B9R0.56 CC(C)(Br)COC[N+](=O)[O-] a9a691d0ef485b86142d164a21002d61 [0,1,0,0,0,1|1,0,1]=4 1804 B9R0.56 CC(C)(C)CNCC(=O)N 098c086062306af5622b8bef8d2a934d [0,1,0,0,0,1|1,0,0]=3 1805 B9R0.56 CC(C)(C)CNCC(=O)O 48484e77a3391febaff23cc27f83c632 [0,1,0,0,0,1|0,0,0]=2 1806 B9R0.56 CC(C)(C)CNC[N+](=O)[O-] d5de7f92de83d137f81ba0dafe942f2a [0,1,0,0,0,1|1,0,1]=4 1807 B9R0.56 CC(C)(C)COCC(=O)N b3b2f81558cd6e8388aa89e3b9597332 [0,1,0,0,0,1|1,0,0]=3 1808 B9R0.56 CC(C)(C)COCC(=O)O 6343d13d7538778e6be0ee5b157d3306 [0,1,0,0,0,1|0,0,0]=2 1809 B9R0.56 CC(C)(C)COCC(=S)N a6553731cbee9fcd83d6bb20e14aa8c2 [0,1,0,0,0,1|1,1,0]=4 1810 B9R0.56 CC(C)(C)COCS(=O)O e6e801662b85e9f4b1299429449bc842 [0,1,0,0,0,1|1,0,0]=3 1811 B9R0.56 CC(C)(C)COC[N+](=O)[O-] 1720db327a64cf5b769be60baba18382 [0,1,0,0,0,1|1,0,1]=4 1812 B9R0.56 CC(C)(C)NCCC(=O)N 4711e739984f689495f99e53ee16b2a3 [0,1,0,0,0,1|1,0,0]=3 1813 B9R0.56 CC(C)(C)NCCC(=O)O 843cfa476336bc74d5fb0cc3c9d1d480 [0,1,0,0,0,1|0,0,0]=2 1814 B9R0.56 CC(C)(C)NCSC(=O)N de3a8e6feba7fddf7a1e361b80cac829 [0,1,0,0,0,1|2,0,0]=4 1815 B9R0.56 CC(C)(F)CNCC(=O)N 6e629b0b5a2c8a35aea14ff5dfaa40f5 [0,1,0,0,0,1|1,0,0]=3 1816 B9R0.56 CC(C)(F)CNCC(=O)O f0045d40b935ce4307fdd8a98e27d771 [0,1,0,0,0,1|0,0,0]=2 1817 B9R0.56 CC(C)(F)COCC(=O)N 489a7ee974a85bdc36c13e25eba4857a [0,1,0,0,0,1|1,0,0]=3 1818 B9R0.56 CC(C)(F)COCC(=O)O f930e32e97984ceb6661cffc664ed43d [0,1,0,0,0,1|0,0,0]=2 1819 B9R0.56 CC(C)(F)COCC(=S)N 7de4175f52cab6c75fede9af5b361eac [0,1,0,0,0,1|1,1,0]=4 1820 B9R0.56 CC(C)(F)COCS(=O)O 8ed63790e0694055307bb8388551ddb9 [0,1,0,0,0,1|1,0,0]=3 1821 B9R0.56 CC(C)(F)COC[N+](=O)[O-] 3bac20ec1570f3513c45d9c7d33302ee [0,1,0,0,0,1|1,0,1]=4 1822 B9R0.56 CC(C)(O)CNCC(=O)N 2b661a1a86ce841cc226cde8ab51dbe1 [0,1,0,0,0,1|1,0,0]=3 1823 B9R0.56 CC(C)(O)CNCC(=O)O e151ab0ab3d97e396aa0fed6e804877e [0,1,0,0,0,1|0,0,0]=2 1824 B9R0.56 CC(C)(O)CNC[N+](=O)[O-] 619652ecb2895fde887b97b625045023 [0,1,0,0,0,1|1,0,1]=4 1825 B9R0.56 CC(C)(O)COCC(=O)N b9eb6d8c3a5311b746406f5ec85331b7 [0,1,0,0,0,1|1,0,0]=3 1826 B9R0.56 CC(C)(O)COCC(=O)O 98a41e9da098f05b7aac50d16fcdacd9 [0,1,0,0,0,1|0,0,0]=2 1827 B9R0.56 CC(C)(O)COCC(=S)N 96e339b084d47f2d61a1867fe78740fc [0,1,0,0,0,1|1,1,0]=4 1828 B9R0.56 CC(C)(O)COCS(=O)O e627cfe34a99e7b40e1163e67cbd5f32 [0,1,0,0,0,1|1,0,0]=3 1829 B9R0.56 CC(C)(S)COCC(=O)N 342f6ca6a04537ac3e25ba3cc0639357 [0,1,0,0,0,1|1,0,0]=3 1830 B9R0.56 CC(C)(S)COCC(=O)O 179792a8f36e7a74693997e52ca1a93c [0,1,0,0,0,1|0,0,0]=2 1831 B9R0.56 CC(C)(S)COC[N+](=O)[O-] a9c4d24bdeeaf92e598867ee038390fd [0,1,0,0,0,1|1,0,1]=4 1832 B9R0.56 CC(C)CNCC(C)(C)O 55a6795727651dc6bb928570ea3c87c8 [0,1,0,0,0,1|1,0,1]=4 1833 B9R0.56 CC(C)CNCS(=O)(=O)C 7f81dfe1c879004afc4f78fc07d437d7 [0,1,0,0,0,1|1,0,1]=4 1834 B9R0.56 CC(C)CNCS(=O)(=O)O 06ea36422d40a04e8d17bec6a0d1b739 [0,1,0,0,0,1|1,0,0]=3 1835 B9R0.56 CC(C)COCC(C)(C)O f93cde77abf1ca1b7cdd468751deaadd [0,1,0,0,0,1|1,0,1]=4 1836 B9R0.56 CC(C)COCS(=O)(=O)C a4153b00b0730a0cb2f3e91d4e4279b6 [0,1,0,0,0,1|1,0,1]=4 1837 B9R0.56 CC(C)NCCC(C)(C)O 03abc3e07e78e8ef71ecbbfdc1f051c5 [0,1,0,0,0,1|1,0,1]=4 1838 B9R0.56 CC(C)NCCS(=O)(=O)C 4d1c4c3a1e7d7d1746d0b4119d5f35e3 [0,1,0,0,0,1|1,0,1]=4 1839 B9R0.56 CC(C)NCCS(=O)(=O)N 8e4b2de7b7fe2ac714b39945bf8b22ad [0,1,0,0,0,1|1,0,1]=4 1840 B9R0.56 CC(C)NCCS(=O)(=O)O 90a72a74a58be8e35c81b005d922329f [0,1,0,0,0,1|1,0,0]=3 1841 B9R0.56 CC(C)OCCC(C)(C)O 38132787d8ad654cd0616fc9176a2955 [0,1,0,0,0,1|1,0,1]=4 1842 B9R0.56 CC(C)OCCS(=N)(=O)C 2342ec9f503b701d422d8f646b8b5254 [0,1,0,0,0,1|2,0,0]=4 1843 B9R0.56 CC(C)OCCS(=O)(=O)C 6a4eb950e53603993fd5e2e911e4d680 [0,1,0,0,0,1|1,0,1]=4 1844 B9R0.56 CC(C)OCCS(=O)(=O)N d589f4c783cc6772c0ffffd8220ac503 [0,1,0,0,0,1|1,0,1]=4 1845 B9R0.56 CC(C)OCCS(=O)(=O)O cab02f1ba5f064bd08e4e21b62c5e9c1 [0,1,0,0,0,1|1,0,0]=3 1846 B9R0.56 CC(F)(F)CNCC(=O)N 0d2574b362f9ee1db50e69886cbf07ef [0,1,0,0,0,1|2,0,0]=4 1847 B9R0.56 CC(F)(F)CNCC(=O)O 8858e699e4dfb7eb008c121635e7625c [0,1,0,0,0,1|1,0,0]=3 1848 B9R0.56 CC(F)(F)COCC(=O)N 9140cbf8a7d36b14103966db7cb1abbb [0,1,0,0,0,1|2,0,0]=4 1849 B9R0.56 CC(F)(F)COCC(=O)O f6411d8693ef059468f662190c6a7f1f [0,1,0,0,0,1|1,0,0]=3 1850 B9R0.56 CC(F)(F)COCS(=O)O d3f890b1106137893888e3dc1fff427a [0,1,0,0,0,1|2,0,0]=4 1851 B9R0.56 CC(O)CCNC(C)(C)C fd58bc50cd1185194ebefe23f8e64d6f [0,1,0,0,0,1|1,0,1]=4 1852 B9R0.56 CC(O)CNCC(C)(C)C 048ed47f8f87997370351033a0fb4f3c [0,1,0,0,0,1|1,0,1]=4 1853 B9R0.56 CC(O)CNCC(C)(C)F ef0445ef2adfdea4875ef0f412406b2f [0,1,0,0,0,1|1,0,1]=4 1854 B9R0.56 CC(O)CNCC(C)(C)O 0bf00996e32678cc254a6456a9b49d9f [0,1,0,0,0,1|1,0,1]=4 1855 B9R0.56 CC(O)CNCS(=O)(=O)O 9833777068faff11c608681308128014 [0,1,0,0,0,1|2,0,0]=4 1856 B9R0.56 CN(C)CNCS(=O)(=O)O ee970242647676c7489cc61e0b46a53f [0,1,0,0,0,1|2,0,0]=4 1857 B9R0.56 CS(=O)(=O)CNCC(=O)O b3d4b916729f0f05a36cb4efab798f74 [0,1,0,0,0,1|2,0,0]=4 1858 B9R0.56 CS(=O)(=O)COCC(=O)O dca250325b5ffe688b8783789ecabd22 [0,1,0,0,0,1|2,0,0]=4 1859 B9R0.56 CS(=O)CCNC(C)(C)C 181641e4a7f1d0e05ba67f8c61fbf863 [0,1,0,0,0,1|2,0,0]=4 1860 B9R0.56 C[C@@H](O)CNCC(C)(C)C e24c5742e85c56f448fca56a06ecb6c2 [0,1,0,0,0,1|1,0,1]=4 1861 B9R0.56 C[C@@H](O)CNCC(C)(C)F 2e0d1f3f11801f0fd5c847d419e46487 [0,1,0,0,0,1|1,0,1]=4 1862 B9R0.56 C[C@@H](O)CNCC(C)(C)O 2965a1474ef46ba45c23c23dfa8da31d [0,1,0,0,0,1|1,0,1]=4 1863 B9R0.56 C[C@@H](O)CNCS(=O)(=O)O 4a36463c0e4c45f5f46823404a9c28bb [0,1,0,0,0,1|2,0,0]=4 1864 B9R0.56 C[C@H](O)CNCC(C)(C)C 839f70eac03de4b26553957d28f98233 [0,1,0,0,0,1|1,0,1]=4 1865 B9R0.56 C[C@H](O)CNCC(C)(C)F 62fcd0a4cbef4ab589ee846eeda88043 [0,1,0,0,0,1|1,0,1]=4 1866 B9R0.56 C[C@H](O)CNCC(C)(C)O 1c1d357114249daad2c78031fef5d940 [0,1,0,0,0,1|1,0,1]=4 1867 B9R0.56 C[C@H](O)CNCS(=O)(=O)O cf0b5af3b68f8b8d396de06968b21638 [0,1,0,0,0,1|2,0,0]=4 1868 B9R0.56 O=C(O)CNCC(F)(F)F f49d7b03a0f337b183fb20a91dd514bf [0,1,0,0,0,1|2,0,0]=4 1869 B9R0.56 O=C(O)COCC(F)(F)Br b0dfaf5fa4627e81c93419bed40d3b30 [0,1,0,0,0,1|2,0,0]=4 1870 B9R0.56 O=C(O)COCC(F)(F)Cl 0ad4c181cef16ca7454fc1b890e53d24 [0,1,0,0,0,1|2,0,0]=4 1871 B9R0.56 O=C(O)COCC(F)(F)F d75a294077f2fa36d16e84aaa84f1a5d [0,1,0,0,0,1|2,0,0]=4 1872 B9R0.21 C#CC(=O)NCC(C)(C)C ae13b7cfa89c389d2b1879f4257a7078 [0,2,0,0,0,0|2,0,0]=4 1873 B9R0.21 C#CC(=O)NCC(C)(C)O 354450fa9c545989f0fe97f3d6a1a16b [0,2,0,0,0,0|2,0,0]=4 1874 B9R0.21 C=C(C=O)OCC(C)(C)C bd51d721ac40be3f87262adca11fa0c4 [0,2,0,0,0,0|2,0,0]=4 1875 B9R0.21 C=C(C=O)OCC(C)(C)F 9a2e88ba59c92ff810e2b59c5b2cce85 [0,2,0,0,0,0|2,0,0]=4 1876 B9R0.21 C=C(C=O)OCC(C)(C)O 44940ace3d1299b75c7a585c4968e5ab [0,2,0,0,0,0|2,0,0]=4 1877 B9R0.21 C=C(CNC(C)(C)C)OC faa4d861e6db57873116d850b975f9a2 [0,2,0,0,0,0|2,0,0]=4 1878 B9R0.21 C=C(CO)CNC(C)(C)C 34f209d18074015f2d615e3246019aae [0,2,0,0,0,0|2,0,0]=4 1879 B9R0.21 C=CC(=O)NCC(C)(C)C afb96502e64b99f2d4e4127ce6243bb3 [0,2,0,0,0,0|2,0,0]=4 1880 B9R0.21 C=CC(=O)NCC(C)(C)O b7aaf94e4f9217c5788549ca1f54c302 [0,2,0,0,0,0|2,0,0]=4 1881 B9R0.21 CC(C)(C)CNC(=O)C=O 547e69dacc840a49896495cbf1012326 [0,2,0,0,0,0|1,0,1]=4 1882 B9R0.21 CC(C)(C)CNC(=O)CF 7a48aa9fac2b1b17faa1afffd837202d [0,2,0,0,0,0|2,0,0]=4 1883 B9R0.21 CC(C)(C)CNC(=O)CO 3914f1faee54cf1a390a082749da7ebf [0,2,0,0,0,0|1,0,0]=3 1884 B9R0.21 CC(C)(C)CNC(=O)CS 98a0b1adfc28344bd6ee632b9666c0f1 [0,2,0,0,0,0|1,1,0]=4 1885 B9R0.21 CC(C)(C)NCC(=O)CO bd2920d44cbd48abf1be1ea18b7e8027 [0,2,0,0,0,0|1,0,0]=3 1886 B9R0.21 CC(C)(O)CNC(=O)C=O 1d8a0ffdfa755fec69c061d18683f9fc [0,2,0,0,0,0|1,0,1]=4 1887 B9R0.21 CC(C)(O)CNC(=O)CF 47ec6587db50132eeacb54dac1c2a5f4 [0,2,0,0,0,0|2,0,0]=4 1888 B9R0.21 CC(C)(O)CNC(=O)CO 9b5cbf1ef1bb371c97021f3052a4069a [0,2,0,0,0,0|1,0,0]=3 1889 B9R0.21 CC(C)(O)CNC(=O)CS dc27eaecb3986c9665a788871bf01779 [0,2,0,0,0,0|1,1,0]=4 1890 B9R0.21 CC(CO)NCS(=O)(=O)O 8197939b72a4c097cdc9ed2f7d69344a [0,2,0,0,0,0|2,0,0]=4 1891 B9R0.21 CC(F)(F)CNC(=O)CO e8acd12556a59967fb1ac9305fedcd99 [0,2,0,0,0,0|2,0,0]=4 1892 B9R0.21 CCC(=O)CNC(C)(C)C ee87b31fb8f70244e113e15b50332475 [0,2,0,0,0,0|2,0,0]=4 1893 B9R0.21 CCC(=O)NCC(C)(C)C 0128812df792d35b060fb644cf032ab3 [0,2,0,0,0,0|2,0,0]=4 1894 B9R0.21 CCC(=O)NCC(C)(C)O 5802c4f0abfb27030122b75932c3adec [0,2,0,0,0,0|2,0,0]=4 1895 B9R0.21 CCC(C)NCS(=O)(=O)O 3843f5387ccbb99cb2ec3de58423578c [0,2,0,0,0,0|2,0,0]=4 1896 B9R0.21 CCN(C)CCS(=O)(=O)O b45c23bee2273f4ed0f973d66db875e9 [0,2,0,0,0,0|2,0,0]=4 1897 B9R0.21 CC[C@@H](C)NCS(=O)(=O)O 3381b6ca29c85622de98a7a50aed3ceb [0,2,0,0,0,0|2,0,0]=4 1898 B9R0.21 CC[C@H](C)NCS(=O)(=O)O c7549dfb5a5ac8f636d10dd80863d40f [0,2,0,0,0,0|2,0,0]=4 1899 B9R0.21 CN(C=O)CCC(C)(C)C 28729b9ee27a1bca3590f7c2a9c7079b [0,2,0,0,0,0|2,0,0]=4 1900 B9R0.21 CN(C=O)CCC(C)(C)O 9f278b93d435b174c6624f0adde7d228 [0,2,0,0,0,0|2,0,0]=4 1901 B9R0.21 CN(CF)CCS(=O)(=O)O 5434f640a798a9d9b3ae51f9a2c53164 [0,2,0,0,0,0|2,0,0]=4 1902 B9R0.21 CN(CO)CCC(C)(C)C d748fb6d8d9e89b3606077d9a5e9d4cd [0,2,0,0,0,0|2,0,0]=4 1903 B9R0.21 CN(CO)CCC(C)(C)O 8aee7cd09e2aa985cca5f51a3220be45 [0,2,0,0,0,0|2,0,0]=4 1904 B9R0.21 CN(CO)CCS(=O)(=O)O dc7f67c7064c552cbaee3766fa6795d1 [0,2,0,0,0,0|2,0,0]=4 1905 B9R0.21 CNC(=O)CNC(C)(C)C 92f4f42e3d0a2fc88cc8caf8c21ea609 [0,2,0,0,0,0|2,0,0]=4 1906 B9R0.21 COC(=O)CNC(C)(C)C 46c32fde144901f82ab920e5e82a2fde [0,2,0,0,0,0|1,0,0]=3 1907 B9R0.21 C[C@@H](CO)NCS(=O)(=O)O 6f31beee6c48b84e60491bce62a19acd [0,2,0,0,0,0|2,0,0]=4 1908 B9R0.21 C[C@H](CO)NCS(=O)(=O)O a61c6a232bb2db9ef80a47b8eecd9406 [0,2,0,0,0,0|2,0,0]=4 1909 B9R0.23 C#CC(=O)N(C)CC(C)C b898c0026a1ed2b25bdb438650914b5b [0,2,0,0,0,0|2,0,0]=4 1910 B9R0.23 C#CC(C)N(C)CC(=O)O 4442316597ae57199614f7bda7b15e0b [0,2,0,0,0,0|1,0,1]=4 1911 B9R0.23 C=CC(=O)N(C)CC(C)C edef3bb28a5d1b94d1c5bc31317b0ef4 [0,2,0,0,0,0|2,0,0]=4 1912 B9R0.23 C=CC(C)N(C)CC(=O)O b2867095761bc509a710df8f75377588 [0,2,0,0,0,0|1,0,1]=4 1913 B9R0.23 CC(C)CN(C)C(=O)C=O 3fbd8f77e28632c1c16e75a7d36551d2 [0,2,0,0,0,0|1,0,1]=4 1914 B9R0.23 CC(C)CN(C)C(=O)CF cac0d333c8a48bb23553e7968862f206 [0,2,0,0,0,0|2,0,0]=4 1915 B9R0.23 CC(C)CN(C)C(=O)CO 211184ee665e06a0d222560052a5ab53 [0,2,0,0,0,0|1,0,0]=3 1916 B9R0.23 CC(C)CN(C)C(=O)CS 7213543ebbc9a8e9ebc546948a9b3635 [0,2,0,0,0,0|1,1,0]=4 1917 B9R0.23 CC(C=O)N(C)CC(=O)O 42e8595385f1708c885bb9847ad49685 [0,2,0,0,0,0|1,0,1]=4 1918 B9R0.23 CC(CC(=O)O)N(C)CF 86c04df1cbc3118a36f6456c0382068b [0,2,0,0,0,0|1,0,0]=3 1919 B9R0.23 CC(CC(=O)O)N(C)CO c6b41a1684495ec12e16617ae033a720 [0,2,0,0,0,0|1,0,0]=3 1920 B9R0.23 CC(CO)N(C)CC(=O)N cad093e999c5e5d0adecbc6ab26512a2 [0,2,0,0,0,0|2,0,0]=4 1921 B9R0.23 CC(CO)N(C)CC(=O)O 9e070eef5f318fe46c235cf3ef744af9 [0,2,0,0,0,0|1,0,0]=3 1922 B9R0.23 CC(O)CN(C)C(=O)CO d475f02181f4cbbc4ba97843a5c9c944 [0,2,0,0,0,0|2,0,0]=4 1923 B9R0.23 CCC(=O)C(C)OC(C)C 6708ce163703160d902bfc07165cab40 [0,2,0,0,0,0|2,0,0]=4 1924 B9R0.23 CCC(=O)N(C)CC(C)C cde337ffe0e19d9cd079efccf11733b4 [0,2,0,0,0,0|2,0,0]=4 1925 B9R0.23 CCC(C)C(C)NC(=O)C c6415ea83b7186fa422502fb21dba14b [0,2,0,0,0,0|2,0,0]=4 1926 B9R0.23 CCC(C)N(C)CC(=O)N bde7733eb8ed4c41132bbdb1311c2abf [0,2,0,0,0,0|2,0,0]=4 1927 B9R0.23 CCC(C)N(C)CC(=O)O 75aef3e777568a148fc6457fb567c3e8 [0,2,0,0,0,0|1,0,0]=3 1928 B9R0.23 CCN(C)C(C)CC(=O)O abeb707970b255b95a0917af44198a47 [0,2,0,0,0,0|1,0,0]=3 1929 B9R0.23 CNC(=O)C(C)NC(C)C 65730d825f5aa2039cafe89553f0261e [0,2,0,0,0,0|2,0,0]=4 1930 B9R0.23 CNC(=O)C(C)OC(C)C 46f15ef48ceb11e6fe5f6e111f40a3c3 [0,2,0,0,0,0|2,0,0]=4 1931 B9R0.23 COC(=O)C(C)OC(C)C a0a379023719ce693b1d023cd8b5033b [0,2,0,0,0,0|1,0,0]=3 1932 B9R0.23 COC(=O)[C@@H](C)OC(C)C 00855389155a20f77742c699f5d3beaf [0,2,0,0,0,0|1,0,0]=3 1933 B9R0.23 COC(=O)[C@H](C)OC(C)C e76a681e1150bbf690cc71533af4c7e6 [0,2,0,0,0,0|1,0,0]=3 1934 B9R0.23 C[C@@H](CO)N(C)CC(=O)N 5859eb44ebf30326f1e0d628a2993f50 [0,2,0,0,0,0|2,0,0]=4 1935 B9R0.23 C[C@@H](CO)N(C)CC(=O)O 28f9fcefb5baf6112312a5544f0c6757 [0,2,0,0,0,0|1,0,0]=3 1936 B9R0.23 C[C@H](C=O)N(C)CC(=O)O 627b1938d4a1b55a260a248683085e0c [0,2,0,0,0,0|1,0,1]=4 1937 B9R0.23 C[C@H](CO)N(C)CC(=O)N 6083822193ed0926f03a3278c8bdcd9a [0,2,0,0,0,0|2,0,0]=4 1938 B9R0.23 C[C@H](CO)N(C)CC(=O)O 506d89a3b4907e205d467d9fb789b7c5 [0,2,0,0,0,0|1,0,0]=3 1939 B9R0.23 C[C@H](O)CN(C)C(=O)CO b7f8532f0730d951b98a35b7c7ce0028 [0,2,0,0,0,0|2,0,0]=4 1940 B9R0.24 C#CC(=O)NCC(C)CC eeb3f1593ef5697a697231e5655cf5e5 [0,2,0,0,0,0|2,0,0]=4 1941 B9R0.24 C#CC(=O)NCC(C)CO 41186f257f77adb0ef21254c99a5b697 [0,2,0,0,0,0|2,0,0]=4 1942 B9R0.24 C#CC(=O)NC[C@@H](C)CC 14264a207a356ac8bd8821577b0c36dd [0,2,0,0,0,0|2,0,0]=4 1943 B9R0.24 C#CC(=O)NC[C@@H](C)OC d425d04ea2b62cf45089aeb199bdb12a [0,2,0,0,0,0|2,0,0]=4 1944 B9R0.24 C#CC(=O)NC[C@H](C)CO 5512bb0ef33369afac10cb2ad91457de [0,2,0,0,0,0|2,0,0]=4 1945 B9R0.24 C#CC(=O)NC[C@H](C)OC 7a36a34873929e52221838bbe1b091b3 [0,2,0,0,0,0|2,0,0]=4 1946 B9R0.24 C#CC(C)NCC(=O)CO aca125c36f3fff20abf5c36bfd95551a [0,2,0,0,0,0|1,0,1]=4 1947 B9R0.24 C#CC(C)NCC(=O)NO 708e03eaa020b26f76acfb773352d776 [0,2,0,0,0,0|1,0,1]=4 1948 B9R0.24 C#CC(C)NCC(=O)OC d3111511e0f3b63da9cf8fbb6803bdcd [0,2,0,0,0,0|1,0,1]=4 1949 B9R0.24 C#CC(C)OCC(=O)OC 3834f9929bdb310a6b6f26aa3aff2944 [0,2,0,0,0,0|1,0,1]=4 1950 B9R0.24 C#C[C@@H](C)NCC(=O)CO 3807184f49a7845a3c47fec86cea39e0 [0,2,0,0,0,0|1,0,1]=4 1951 B9R0.24 C#C[C@@H](C)NCC(=O)OC f70b2489bdb7e036e2d5461d0aad8357 [0,2,0,0,0,0|1,0,1]=4 1952 B9R0.24 C#C[C@@H](C)OCC(=O)OC 4a93ad57e77e78a44764b6d964c53854 [0,2,0,0,0,0|1,0,1]=4 1953 B9R0.24 C#C[C@H](C)NCC(=O)CO 639e513a5c1c7c58d07732e858f7cb7a [0,2,0,0,0,0|1,0,1]=4 1954 B9R0.24 C#C[C@H](C)NCC(=O)OC 7e17f72d06f7ebbab6d4051854da7b9a [0,2,0,0,0,0|1,0,1]=4 1955 B9R0.24 C#C[C@H](C)OCC(=O)OC d95b66e1f6f317e6a47b949ce99cc02f [0,2,0,0,0,0|1,0,1]=4 1956 B9R0.24 C=C(C=O)OCC(C)CC 94076fbb637be2099fefe5bb74ab7631 [0,2,0,0,0,0|2,0,0]=4 1957 B9R0.24 C=C(C=O)OCC(C)OC c907ae157f3e80043ae2be4b92fbffb5 [0,2,0,0,0,0|2,0,0]=4 1958 B9R0.24 C=C(C=O)OC[C@@H](C)CC c92820c9001e5f184f75d6985b3ac715 [0,2,0,0,0,0|2,0,0]=4 1959 B9R0.24 C=C(C=O)OC[C@@H](C)OC 4333ac0cad3af60fced030b92ff246c3 [0,2,0,0,0,0|2,0,0]=4 1960 B9R0.24 C=C(C=O)OC[C@H](C)CC acdcdc2ceb58caf2909e400b4e88cdbc [0,2,0,0,0,0|2,0,0]=4 1961 B9R0.24 C=C(C=O)OC[C@H](C)OC d9d15fb34c9eec8b6453049bca84bcd4 [0,2,0,0,0,0|2,0,0]=4 1962 B9R0.24 C=C(CNC(C)CC)OC 199745e170d7136057adf692fc38bc38 [0,2,0,0,0,0|2,0,0]=4 1963 B9R0.24 C=C(CNC(C)CO)OC 7ed9c274e3583d47745d164a348d8b36 [0,2,0,0,0,0|2,0,0]=4 1964 B9R0.24 C=C(CN[C@@H](C)CC)OC 10f721623084d5e042fa686b6aba21f6 [0,2,0,0,0,0|2,0,0]=4 1965 B9R0.24 C=C(CN[C@@H](C)CO)OC 24349e6113f8cfabca61d315d9c14d02 [0,2,0,0,0,0|2,0,0]=4 1966 B9R0.24 C=C(CN[C@H](C)CC)OC 36d91e5ccdad465db0f3ec237f974baa [0,2,0,0,0,0|2,0,0]=4 1967 B9R0.24 C=C(CN[C@H](C)CO)OC b477e2c15eeb7635d940752d0dc57230 [0,2,0,0,0,0|2,0,0]=4 1968 B9R0.24 C=C(CO)CNC(C)CC f7e489a1daa82458cbf8b386d347af1d [0,2,0,0,0,0|2,0,0]=4 1969 B9R0.24 C=C(CO)CNC(C)CO 046a039ed1fc1e1a39de86175d69a591 [0,2,0,0,0,0|2,0,0]=4 1970 B9R0.24 C=C(CO)CN[C@@H](C)CC 5f8000ccd35054ea6c50e9f85089bdf1 [0,2,0,0,0,0|2,0,0]=4 1971 B9R0.24 C=C(CO)CN[C@@H](C)CO 909fd3b07559504a433e09717b163145 [0,2,0,0,0,0|2,0,0]=4 1972 B9R0.24 C=C(CO)CN[C@H](C)CC ea9e5c40fd15740e3eb8eadf2343cb70 [0,2,0,0,0,0|2,0,0]=4 1973 B9R0.24 C=C(CO)CN[C@H](C)CO f11cf0f2c44dae261e8250c0d3db312b [0,2,0,0,0,0|2,0,0]=4 1974 B9R0.24 C=C(COC(C)CC)OC 58b6feaf19e6f1997c779268ea3fd7b1 [0,2,0,0,0,0|2,0,0]=4 1975 B9R0.24 C=C(COC(C)CF)OC 51cf833942233803eb30e15a731946de [0,2,0,0,0,0|2,0,0]=4 1976 B9R0.24 C=C(COC(C)CS)OC e4e96e57af5d4721f79d62882779f76c [0,2,0,0,0,0|2,0,0]=4 1977 B9R0.24 C=C(CO[C@@H](C)CC)OC 5dbf68339d968dae26f268e1b4530471 [0,2,0,0,0,0|2,0,0]=4 1978 B9R0.24 C=C(CO[C@H](C)CC)OC 465be8e09831cc0a52bf3701e0ba6f9b [0,2,0,0,0,0|2,0,0]=4 1979 B9R0.24 C=C(CO[C@H](C)CS)OC bd06d82387b13dd5a693155f15bae87c [0,2,0,0,0,0|2,0,0]=4 1980 B9R0.24 C=CC(=O)NCC(C)CC 741b92221edb49a5786b80da6b26f931 [0,2,0,0,0,0|2,0,0]=4 1981 B9R0.24 C=CC(=O)NCC(C)CO 92291dabf089671184f5d0347002f503 [0,2,0,0,0,0|2,0,0]=4 1982 B9R0.24 C=CC(=O)NC[C@@H](C)CC ed2dd0e0ee88d18345665ce5dc441f7e [0,2,0,0,0,0|2,0,0]=4 1983 B9R0.24 C=CC(=O)NC[C@@H](C)OC 106d6f31390313679231ccf71a569b46 [0,2,0,0,0,0|2,0,0]=4 1984 B9R0.24 C=CC(=O)NC[C@H](C)CO bec5f469822c7d3b1dc4aaea22892c54 [0,2,0,0,0,0|2,0,0]=4 1985 B9R0.24 C=CC(=O)NC[C@H](C)OC 44f98b08e5d7298179d7a6cd0189a816 [0,2,0,0,0,0|2,0,0]=4 1986 B9R0.24 C=CC(C)NCC(=O)CO b252e851a4d424d1074ec962a0cf8724 [0,2,0,0,0,0|1,0,1]=4 1987 B9R0.24 C=CC(C)NCC(=O)NO f493b9d5e4bf3716ea5090c9e619d164 [0,2,0,0,0,0|1,0,1]=4 1988 B9R0.24 C=CC(C)NCC(=O)OC 458ca9e0f72429bc5b6a0666dc9887f6 [0,2,0,0,0,0|1,0,1]=4 1989 B9R0.24 C=CC(C)OCC(=O)OC 49db1015aa1b9433cdff0d43f3b5ac9a [0,2,0,0,0,0|1,0,1]=4 1990 B9R0.24 C=C[C@H](C)OCC(=O)OC 3e0cc0a3880efc0cf26e8bb77e313458 [0,2,0,0,0,0|1,0,1]=4 1991 B9R0.24 CC(C#N)CNC(=O)CO 723ac511dbce34bf48e4aa88a76f4ffb [0,2,0,0,0,0|1,0,1]=4 1992 B9R0.24 CC(C#N)NCC(=O)CO 853106096bbd483be5c66e6267057089 [0,2,0,0,0,0|1,0,1]=4 1993 B9R0.24 CC(C#N)NCC(=O)NO 8f4202fc5931c8f8d1ac5d6e244719ba [0,2,0,0,0,0|1,0,1]=4 1994 B9R0.24 CC(C=O)NCC(=O)NO bc51939da60c90ef1be22a27ae9a7c85 [0,2,0,0,0,0|1,0,1]=4 1995 B9R0.24 CC(CO)CNC(=O)C=O 0c184885911fbc71450e3ddd6b5f3577 [0,2,0,0,0,0|1,0,1]=4 1996 B9R0.24 CC(CO)CNC(=O)CF dfa95f0e838d6050ac5f9dd06f8dcae3 [0,2,0,0,0,0|2,0,0]=4 1997 B9R0.24 CC(CO)CNC(=O)CO c433cb913c3f4a048671fb23e261810a [0,2,0,0,0,0|1,0,0]=3 1998 B9R0.24 CC(CO)CNC(=O)CS 9cad581698394879ce09e326a14b10e9 [0,2,0,0,0,0|1,1,0]=4 1999 B9R0.24 CC(CO)NCC(=O)CO c585403df2dd549fbed6db13dd1f46fc [0,2,0,0,0,0|1,0,0]=3 2000 B9R0.24 CC(CO)NCC(=O)NO 4aeda96bb4fd1908b9129c8e3077b0d9 [0,2,0,0,0,0|1,0,0]=3 2001 B9R0.24 CCC(=O)CNC(C)CC 8a7f34411ea9ff22baecd2bec9987e81 [0,2,0,0,0,0|2,0,0]=4 2002 B9R0.24 CCC(=O)CNC(C)CO 5e60ba7c010ccf2781cfa187e60d9931 [0,2,0,0,0,0|2,0,0]=4 2003 B9R0.24 CCC(=O)CN[C@@H](C)CC cf0e7ed200bceabd78136172de6ecd6c [0,2,0,0,0,0|2,0,0]=4 2004 B9R0.24 CCC(=O)CN[C@@H](C)CO 74e011e2f77654864ab9844d772548df [0,2,0,0,0,0|2,0,0]=4 2005 B9R0.24 CCC(=O)CN[C@H](C)CC e6fe0f86a523db447d188f70083e09d0 [0,2,0,0,0,0|2,0,0]=4 2006 B9R0.24 CCC(=O)CN[C@H](C)CO f786f4989a36138fb02fa088b8f656d9 [0,2,0,0,0,0|2,0,0]=4 2007 B9R0.24 CCC(=O)COC(C)CC 29d5bfcc3cb37f7ca0dad75c651a7aa4 [0,2,0,0,0,0|2,0,0]=4 2008 B9R0.24 CCC(=O)COC(C)CF 81a45643a713673f9a8cee2ff98f6a75 [0,2,0,0,0,0|2,0,0]=4 2009 B9R0.24 CCC(=O)COC(C)CS 984e285ab5f4a0ad9d6d8a292df0e276 [0,2,0,0,0,0|2,0,0]=4 2010 B9R0.24 CCC(=O)CO[C@@H](C)CC 83299bde6aa7b405212942272cb01c0d [0,2,0,0,0,0|2,0,0]=4 2011 B9R0.24 CCC(=O)CO[C@H](C)CC 22a053d890b84a836a154b9ddc55610a [0,2,0,0,0,0|2,0,0]=4 2012 B9R0.24 CCC(=O)CO[C@H](C)CS e24ec6525f0cb1fa141815260a562dff [0,2,0,0,0,0|2,0,0]=4 2013 B9R0.24 CCC(=O)NCC(C)CC 7a5f4f534369b61d9e8fb6bbf4fc8b31 [0,2,0,0,0,0|2,0,0]=4 2014 B9R0.24 CCC(=O)NCC(C)CO fa40852dedb4d165bd8eab47072e49aa [0,2,0,0,0,0|2,0,0]=4 2015 B9R0.24 CCC(=O)NC[C@@H](C)CC 20f140a9a510d7ecd72cce257acfa2d6 [0,2,0,0,0,0|2,0,0]=4 2016 B9R0.24 CCC(=O)NC[C@@H](C)OC 2b4d3bc307acd070b3e7f7cf9dd3ff4c [0,2,0,0,0,0|2,0,0]=4 2017 B9R0.24 CCC(=O)NC[C@H](C)CO 2514ca8a6ee761d51abaccbd3a6de585 [0,2,0,0,0,0|2,0,0]=4 2018 B9R0.24 CCC(=O)NC[C@H](C)OC e43467fd548414270671303609820f3d [0,2,0,0,0,0|2,0,0]=4 2019 B9R0.24 CCC(C)CNC(=O)C=O 91d514cf28991274b1ca6d31974e5e31 [0,2,0,0,0,0|1,0,1]=4 2020 B9R0.24 CCC(C)CNC(=O)CF 62d42cdf2cc7f038e9e989a2ab9bdb8f [0,2,0,0,0,0|2,0,0]=4 2021 B9R0.24 CCC(C)CNC(=O)CO c83ed1127f884f4213e48db54a8973b6 [0,2,0,0,0,0|1,0,0]=3 2022 B9R0.24 CCC(C)CNC(=O)CS 583bdfa66e6c39cd626f1854cfe0c0b0 [0,2,0,0,0,0|1,1,0]=4 2023 B9R0.24 CCC(C)NCC(=O)CO 747086db77c014fda376410a8a49b40e [0,2,0,0,0,0|1,0,0]=3 2024 B9R0.24 CCC(C)NCC(=O)NC 2611a3dfb5b7c258664f7cb330ea6fec [0,2,0,0,0,0|2,0,0]=4 2025 B9R0.24 CCC(C)NCC(=O)NO 381df0511f7cfb53c95756cb7b77418d [0,2,0,0,0,0|1,0,0]=3 2026 B9R0.24 CCC(C)NCC(=O)OC 59c2530d5471f061d4aa62b34152d7d0 [0,2,0,0,0,0|1,0,0]=3 2027 B9R0.24 CCC(C)OCC(=O)NC fd2e488516bf2234fe71d5367b194c27 [0,2,0,0,0,0|2,0,0]=4 2028 B9R0.24 CCC(C)OCC(=O)OC 6aca864df4e41abf0022f5b67ba1eeb3 [0,2,0,0,0,0|1,0,0]=3 2029 B9R0.24 CCC(O)CNC(=O)CO 0928fe22cca3c4eea08bea77b1ae9315 [0,2,0,0,0,0|2,0,0]=4 2030 B9R0.24 CCN(C)CCC(=O)NC 2662066c50046d25efb4730369bf3acc [0,2,0,0,0,0|2,0,0]=4 2031 B9R0.24 CCN(C)CCC(=O)OC d4cf3afdf7bf67f420c8138d9cf71b21 [0,2,0,0,0,0|1,0,0]=3 2032 B9R0.24 CCN(C)COC(=O)OC 7edde911e4bf2f7ddb416a1e0f67633c [0,2,0,0,0,0|2,0,0]=4 2033 B9R0.24 CC[C@@H](C)NCC(=O)CO d8b4c8bcceaf1479e8e5170a427a4480 [0,2,0,0,0,0|1,0,0]=3 2034 B9R0.24 CC[C@@H](C)NCC(=O)NC 0ca27b77de1e030aca1751b3aa23f4cf [0,2,0,0,0,0|2,0,0]=4 2035 B9R0.24 CC[C@@H](C)NCC(=O)OC 64edeba17979e2fe49241dd635a58ddb [0,2,0,0,0,0|1,0,0]=3 2036 B9R0.24 CC[C@@H](C)OCC(=O)NC 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[0,2,0,0,0,0|2,0,0]=4 2093 B9R0.24 O=C(CO)NC[C@H](O)CO 33ab51de405864fc5b6ae5961bb63355 [0,2,0,0,0,0|2,0,0]=4 2094 B9R0.42 C#CC(=O)NC(C)C(C)C 9fc1d2fd88e5864b7817506ef36d802b [0,2,0,0,0,0|2,0,0]=4 2095 B9R0.42 C#CC(=O)N[C@@H](C)C(C)C 213701597ab87dc9bcb7cd1d747c011e [0,2,0,0,0,0|2,0,0]=4 2096 B9R0.42 C#CC(=O)N[C@H](C)C(C)C 1b967dc4e25e1b8b06cc0d3aa6704437 [0,2,0,0,0,0|2,0,0]=4 2097 B9R0.42 C#CC(C)NC(C)C(=O)O 47412c0503f341919877078a4de3b15b [0,2,0,0,0,0|1,0,1]=4 2098 B9R0.42 C#CC(C)NC(O)C(=O)O b7acf73e8148e88a7816d02761728c70 [0,2,0,0,0,0|1,0,1]=4 2099 B9R0.42 C#CC(C)N[C@@H](C)C(=O)O 3269fe6bbad23670c46cb1b49d0bf083 [0,2,0,0,0,0|1,0,1]=4 2100 B9R0.42 C#CC(C)N[C@H](C)C(=O)O 2df8ca07c5b3a2e429ec6180cebd0ff1 [0,2,0,0,0,0|1,0,1]=4 2101 B9R0.42 C#C[C@@H](C)NC(C)C(=O)O 434172b16639df33027afc7a81c556b7 [0,2,0,0,0,0|1,0,1]=4 2102 B9R0.42 C#C[C@@H](C)N[C@@H](C)C(=O)O c56a51179a366073685e661195b7ddae [0,2,0,0,0,0|1,0,1]=4 2103 B9R0.42 C#C[C@@H](C)N[C@H](C)C(=O)O 67046238bd4ab30b8bb5eca429d2549b 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CC[C@@H](C)OC(C)C(=O)O f33ef1abedccd793f28629c961ce3fe5 [0,2,0,0,0,0|1,0,0]=3 2215 B9R0.42 CC[C@@H](C)OC(F)C(=O)N ed11654590fe388c1e6741001c9d9a2e [0,2,0,0,0,0|2,0,0]=4 2216 B9R0.42 CC[C@@H](C)O[C@@H](C)C(=O)N 7cbff11083fc49f034dc579e36d766dc [0,2,0,0,0,0|2,0,0]=4 2217 B9R0.42 CC[C@@H](C)O[C@@H](C)C(=O)O e84999afa124bc3d9ca0c696f1b8d831 [0,2,0,0,0,0|1,0,0]=3 2218 B9R0.42 CC[C@@H](C)O[C@H](C)C(=O)N 33b1da53b2173ec28b224b6ae69997cb [0,2,0,0,0,0|2,0,0]=4 2219 B9R0.42 CC[C@@H](C)O[C@H](C)C(=O)O ea5ac1487807f841b2f36b90ff247b7d [0,2,0,0,0,0|1,0,0]=3 2220 B9R0.42 CC[C@H](C)NC(C)C(=O)C 7113b1598f00dc879293959ff877ca42 [0,2,0,0,0,0|2,0,0]=4 2221 B9R0.42 CC[C@H](C)NC(C)C(=O)N a48f1912950b61c964ec324d7cae3d4a [0,2,0,0,0,0|2,0,0]=4 2222 B9R0.42 CC[C@H](C)NC(C)C(=O)O 826392e01ce3eb4af77b0b39d0fe978a [0,2,0,0,0,0|1,0,0]=3 2223 B9R0.42 CC[C@H](C)N[C@@H](C)C(=O)N cf28d6b96a0252abc2d1d786c2d454c3 [0,2,0,0,0,0|2,0,0]=4 2224 B9R0.42 CC[C@H](C)N[C@@H](C)C(=O)O 7ef37b4a0a1e068d8a9f2b6ad87edcbb [0,2,0,0,0,0|1,0,0]=3 2225 B9R0.42 CC[C@H](C)N[C@H](C)C(=O)N e276fd8c31a07493d27c03948e2fe829 [0,2,0,0,0,0|2,0,0]=4 2226 B9R0.42 CC[C@H](C)N[C@H](C)C(=O)O 22d220b0a815a9ac8aea710ad5f73c11 [0,2,0,0,0,0|1,0,0]=3 2227 B9R0.42 CC[C@H](C)OC(C)C(=O)C 6af11b8669d1b3b219988957a2f45060 [0,2,0,0,0,0|2,0,0]=4 2228 B9R0.42 CC[C@H](C)OC(C)C(=O)N e5a9e311f834c6a6ab934aec4d86856d [0,2,0,0,0,0|2,0,0]=4 2229 B9R0.42 CC[C@H](C)OC(C)C(=O)O c4f6fe4fdd240638d0083650541f09fc [0,2,0,0,0,0|1,0,0]=3 2230 B9R0.42 CC[C@H](C)OC(F)C(=O)N 744d0bd42e08a9d9bee3fa69f4a01bfc [0,2,0,0,0,0|2,0,0]=4 2231 B9R0.42 CC[C@H](C)O[C@@H](C)C(=O)N e71f72e8da61c315e880361c47ef0d62 [0,2,0,0,0,0|2,0,0]=4 2232 B9R0.42 CC[C@H](C)O[C@@H](C)C(=O)O 8169e39c983146464221b38b3e9be7ca [0,2,0,0,0,0|1,0,0]=3 2233 B9R0.42 CC[C@H](C)O[C@H](C)C(=O)N 88c7111887df4dccdcda360cf543a9fc [0,2,0,0,0,0|2,0,0]=4 2234 B9R0.42 CC[C@H](C)O[C@H](C)C(=O)O ed9f7b940047fd9a74f5f18223d105e3 [0,2,0,0,0,0|1,0,0]=3 2235 B9R0.42 CN(CF)C[C@H](O)C(=O)O 60366e3171c2878a947ec480c44c1bd5 [0,2,0,0,0,0|1,0,0]=3 2236 B9R0.42 CN(CO)C[C@H](O)C(=O)O 9684eb013c9991979f1f883b59e5a0c5 [0,2,0,0,0,0|1,0,0]=3 2237 B9R0.42 CNC(=O)CN(C)C(C)C 95f128c4bcadec9aa61bbdae2b41a2d6 [0,2,0,0,0,0|2,0,0]=4 2238 B9R0.42 COC(=O)CN(C)C(C)C 2c82446aed6694c498b8b1d3cd1cfa29 [0,2,0,0,0,0|1,0,0]=3 2239 B9R0.42 C[C@@H](CO)NC(F)C(=O)N 8cf2f6322979ac0a8b224646a5442f17 [0,2,0,0,0,0|2,0,0]=4 2240 B9R0.42 C[C@@H](CO)NC(O)C(=O)O a6cb74e2b40c31da9f39edc27820ebf8 [0,2,0,0,0,0|1,0,0]=3 2241 B9R0.42 C[C@@H](CO)N[C@H](C)C(=O)N 3e9658560a6e1f637cb827b3e295c026 [0,2,0,0,0,0|2,0,0]=4 2242 B9R0.42 C[C@@H](CO)N[C@H](C)C(=O)O c1a428b0ddd139f9c2e2de1e99a8fc8a [0,2,0,0,0,0|1,0,0]=3 2243 B9R0.42 C[C@H](C=O)NC(O)C(=O)O f9acfd7578d2efc6770d6eca05c7d778 [0,2,0,0,0,0|1,0,1]=4 2244 B9R0.42 C[C@H](C=O)N[C@@H](C)C(=O)O 939bc4c7aaa3ec6d4eb0542bf7f8b345 [0,2,0,0,0,0|1,0,1]=4 2245 B9R0.42 C[C@H](C=O)N[C@H](C)C(=O)O cc7913b07882750d08c30e7582a0574f [0,2,0,0,0,0|1,0,1]=4 2246 B9R0.42 C[C@H](C=O)O[C@@H](C)C(=O)O b6f80b92b47a54815102fbd4899c5250 [0,2,0,0,0,0|1,0,1]=4 2247 B9R0.42 C[C@H](C=O)O[C@H](C)C(=O)O 44ced11a0975d80e393790a7eaccae4d [0,2,0,0,0,0|1,0,1]=4 2248 B9R0.42 C[C@H](CO)NC(F)C(=O)N 2e2fed8193c6cdc1e228c6f34d185ba3 [0,2,0,0,0,0|2,0,0]=4 2249 B9R0.42 C[C@H](CO)NC(O)C(=O)O 7ec955a21dba01cf6aa8cf71eef23a2e [0,2,0,0,0,0|1,0,0]=3 2250 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)N add6080309873043e8941bab18ede2a4 [0,2,0,0,0,0|2,0,0]=4 2251 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O ac2b35d6c7874b85744c21c2fc268b36 [0,2,0,0,0,0|1,0,0]=3 2252 B9R0.42 C[C@H](CO)N[C@H](C)C(=O)N 2172b533263fde3d2253038ebff38b42 [0,2,0,0,0,0|2,0,0]=4 2253 B9R0.42 C[C@H](CO)N[C@H](C)C(=O)O 484a418c83723ee82ece2afa09d603dc [0,2,0,0,0,0|1,0,0]=3 2254 B9R0.42 C[C@H](CS)O[C@@H](C)C(=O)N de029951257e8590a95665a984e4d363 [0,2,0,0,0,0|2,0,0]=4 2255 B9R0.42 C[C@H](CS)O[C@H](C)C(=O)N 308f84ed3d2c37897757ccc72a650613 [0,2,0,0,0,0|2,0,0]=4 2256 B9R0.42 C[C@H](N[C@@H](C)CO)C(=O)N 47b121d320db6eb71f980a5a5880f4cb [0,2,0,0,0,0|2,0,0]=4 2257 B9R0.42 C[C@H](N[C@@H](C)CO)C(=O)O 1cea0a2a31427ddf84ea4f4f502411f2 [0,2,0,0,0,0|1,0,0]=3 2258 B9R0.43 C#CC(CC)OCC(=O)O 730b1e7fc7eb3300fdc71985647106f9 [0,2,0,0,0,0|1,0,1]=4 2259 B9R0.43 C=CC(CC)OCC(=O)O b88f2e10a8550602707dec2f9eae7fb5 [0,2,0,0,0,0|1,0,1]=4 2260 B9R0.43 C=C[C@@H](CO)NCC(=O)O 8d053a06a2e2c444b01bd69fddfe73ff [0,2,0,0,0,0|1,0,1]=4 2261 B9R0.43 CC(=O)CNC(CO)CO 27a2650d76e9e15a63382fd7ad52a6ce [0,2,0,0,0,0|2,0,0]=4 2262 B9R0.43 CC(=O)COC(CO)CO 49c1efd5bc84fe886c67130d1ee8544b [0,2,0,0,0,0|2,0,0]=4 2263 B9R0.43 CC(=O)NCC(CO)CO 275c9e974a5537da3ca2a7e20c29fd1a [0,2,0,0,0,0|2,0,0]=4 2264 B9R0.43 CCC(C#N)OCC(=O)O 9d4d7ebe4dc8dfaff9ab156c1788d83d [0,2,0,0,0,0|1,0,1]=4 2265 B9R0.43 CCC(C=O)NCC(=O)O 2dff37ffe0c09807fcd641801f47306a [0,2,0,0,0,0|1,0,1]=4 2266 B9R0.43 CCC(C=O)OCC(=O)O 200ce9180f5aea00044ac6edcf54d531 [0,2,0,0,0,0|1,0,1]=4 2267 B9R0.43 CCC(CC)CNC(=O)C 1549f79204b015c6741805722d63f02b [0,2,0,0,0,0|2,0,0]=4 2268 B9R0.43 CCC(CC)NCC(=O)C 70a7a34fd5b9f13420599575ca59b309 [0,2,0,0,0,0|2,0,0]=4 2269 B9R0.43 CCC(CC)NCC(=O)N ba1ba5684139cdae5f828e99c03588fa [0,2,0,0,0,0|2,0,0]=4 2270 B9R0.43 CCC(CC)NCC(=O)O 995cd6a8146da731115d097551736d02 [0,2,0,0,0,0|1,0,0]=3 2271 B9R0.43 CCC(CC)OCC(=O)C e585e39db31cc4648e1fa74bf026183f [0,2,0,0,0,0|2,0,0]=4 2272 B9R0.43 CCC(CC)OCC(=O)N 1159d3ee802ce0ed1d8ecfa7ae9f3a38 [0,2,0,0,0,0|2,0,0]=4 2273 B9R0.43 CCC(CC)OCC(=O)O 1b3befb0c3d9e3800b8f83ed1ff32f58 [0,2,0,0,0,0|1,0,0]=3 2274 B9R0.43 CCC(CC)OCS(=O)O 9088dc5b9dfa1c1f32aa7ffed72cecc6 [0,2,0,0,0,0|2,0,0]=4 2275 B9R0.43 CCC(CO)CNC(=O)C f06f2cec7d1e6e4c1c3bbf6f6411b3ed [0,2,0,0,0,0|2,0,0]=4 2276 B9R0.43 CCC(CO)NCC(=O)C d3ea90a78330a2ba0c8b0126dca355b9 [0,2,0,0,0,0|2,0,0]=4 2277 B9R0.43 CCC(CO)NCC(=O)N 7e633424dbaaf57014c9bf99d0265d36 [0,2,0,0,0,0|2,0,0]=4 2278 B9R0.43 CCC(CO)NCC(=O)O 586189b2332a32af4757091d48666a8a [0,2,0,0,0,0|1,0,0]=3 2279 B9R0.43 CCN(CC)CCC(=O)N a8bdb500d800dfb76989944bf928047c [0,2,0,0,0,0|2,0,0]=4 2280 B9R0.43 CCN(CO)CCC(=O)N 922f26fe6b08d865c262df93248b88c0 [0,2,0,0,0,0|2,0,0]=4 2281 B9R0.43 CC[C@@H](CO)NCC(=O)N e22143a7c0573e78dadb07451102ce8b [0,2,0,0,0,0|2,0,0]=4 2282 B9R0.43 CC[C@@H](CO)NCC(=O)O ca5de122a401b27aebff33f963871c41 [0,2,0,0,0,0|1,0,0]=3 2283 B9R0.43 CC[C@H](CO)NCC(=O)N d10a2cce3c58bda571f1f8fb2e113e41 [0,2,0,0,0,0|2,0,0]=4 2284 B9R0.43 CC[C@H](CO)NCC(=O)O e8d663c48b3ee956fc556faee09136e0 [0,2,0,0,0,0|1,0,0]=3 2285 B9R0.43 COC(CNC(=O)C)OC 7667afb1129bf19fdd7549c6df961d11 [0,2,0,0,0,0|2,0,0]=4 2286 B9R0.43 CO[C@@H](CO)CNC(=O)C 595c34503ab75b4f13d4a0f790389747 [0,2,0,0,0,0|2,0,0]=4 2287 B9R0.43 NC(=O)CNC(CO)CO 4e48d2cef0486bc40365c38a560cbc87 [0,2,0,0,0,0|2,0,0]=4 2288 B9R0.43 NC(=O)COC(CBr)CBr 755ef6a3375a8870d3ef80b1aa8b2b88 [0,2,0,0,0,0|2,0,0]=4 2289 B9R0.43 NC(=O)COC(CCl)CBr 666160a8b1b92e564b2cad77b8619df0 [0,2,0,0,0,0|2,0,0]=4 2290 B9R0.43 NC(=O)COC(CCl)CCl 72d2b2b5ce17ee74412b9ca7f7669966 [0,2,0,0,0,0|2,0,0]=4 2291 B9R0.43 NC(=O)COC(CF)CF cd6dbdf128f78c01c6454b08b415181f [0,2,0,0,0,0|2,0,0]=4 2292 B9R0.43 NC(=O)COC(CO)CO 1879ad44559e4d34e66c634af69fe537 [0,2,0,0,0,0|2,0,0]=4 2293 B9R0.43 NC(=O)CO[C@@H](CCl)CI dfb8636078a269567986621dec25f810 [0,2,0,0,0,0|2,0,0]=4 2294 B9R0.43 NC(=O)CO[C@H](CCl)CI b37605a22e7f52ae5b92f42ca5159ece [0,2,0,0,0,0|2,0,0]=4 2295 B9R0.43 O=C(O)CNC(CO)CO a2139af8eda74af59c3bc12727e73261 [0,2,0,0,0,0|1,0,0]=3 2296 B9R0.43 O=C(O)COC(CBr)CBr 968739f959b8050ba02b555082945239 [0,2,0,0,0,0|1,0,0]=3 2297 B9R0.43 O=C(O)COC(CCl)CBr 9033349e9d1caf3bf05451da377590dd [0,2,0,0,0,0|1,0,0]=3 2298 B9R0.43 O=C(O)COC(CCl)CCl 07b67d873a27eefc5209e32d4442733d [0,2,0,0,0,0|1,0,0]=3 2299 B9R0.43 O=C(O)COC(CF)CF 645fb4e5970d1448f8310a40d8900d10 [0,2,0,0,0,0|1,0,0]=3 2300 B9R0.43 O=C(O)COC(CO)CO 97a0c2721b7a536eedc3657cdcee9b13 [0,2,0,0,0,0|1,0,0]=3 2301 B9R0.43 O=C(O)CO[C@@H](CCl)CI 8724643fcfb76af31b10332219dbb5af [0,2,0,0,0,0|1,0,0]=3 2302 B9R0.43 O=C(O)CO[C@H](CCl)CI a55b93887e2d1bb2223800dc9912c456 [0,2,0,0,0,0|1,0,0]=3 2303 B9R0.43 O=S(O)COC(CO)CO c392060d1592de3451857c649c140b71 [0,2,0,0,0,0|2,0,0]=4 2304 B9R0.48 C#CCC(=O)NCC(C)C 2b539c134b604ef80f6922fbe76e6c9e [0,2,0,0,0,0|2,0,0]=4 2305 B9R0.48 C#CCC(C)OCC(=O)N a1dc31bc0b83b828e6381714822d1850 [0,2,0,0,0,0|2,0,0]=4 2306 B9R0.48 C#CCC(C)OCC(=O)O 0835f7b07d3faca22337f7063acadc83 [0,2,0,0,0,0|1,0,0]=3 2307 B9R0.48 C#CCN(C)CCC(=O)C 8b1297b664a1ef01c4b9824bf054d03e [0,2,0,0,0,0|2,0,0]=4 2308 B9R0.48 C#CCN(C)CCC(=O)N e5358d8c3a3397ffce4d6d4c7e2dcc1b [0,2,0,0,0,0|2,0,0]=4 2309 B9R0.48 C#CCN(C)CCC(=O)O 190ebfe976f23c6a4760ea2b195e163b [0,2,0,0,0,0|1,0,0]=3 2310 B9R0.48 C/C=C/C(=O)NCC(C)C 1bc11c358e801c48de2ee29a286f4bd5 [0,2,0,0,0,0|2,0,0]=4 2311 B9R0.48 C/C=C/C(C)OCC(=O)N 522a488c5e33b435b3f48696e6e4d6df [0,2,0,0,0,0|2,0,0]=4 2312 B9R0.48 C/C=C/C(C)OCC(=O)O faebc3261e3a36af1d31713fdea4082c [0,2,0,0,0,0|1,0,0]=3 2313 B9R0.48 C=CCC(=O)NCC(C)C 7ec6a94fdaa5e3ae98cbb3f64b8e60bc [0,2,0,0,0,0|2,0,0]=4 2314 B9R0.48 C=CCC(C)OCC(=O)N 03d8170adf9c978b41b313e040ead01d [0,2,0,0,0,0|2,0,0]=4 2315 B9R0.48 C=CCC(C)OCC(=O)O d4c2db20e21f45057095c6dd9b09bcfe [0,2,0,0,0,0|1,0,0]=3 2316 B9R0.48 C=CCN(C)CCC(=O)C 942bc8a400e1b9da00c1ec7d56004de6 [0,2,0,0,0,0|2,0,0]=4 2317 B9R0.48 C=CCN(C)CCC(=O)N 07642a8517d71873da975b6e3cda5e5e [0,2,0,0,0,0|2,0,0]=4 2318 B9R0.48 C=CCN(C)CCC(=O)O 85c31c0123bc751a9540d6f16d5ab7f5 [0,2,0,0,0,0|1,0,0]=3 2319 B9R0.48 C=CC[C@@H](C)OCC(=O)N b9e6e4dc02620404407ebbb35d51175b [0,2,0,0,0,0|2,0,0]=4 2320 B9R0.48 C=CC[C@@H](C)OCC(=O)O e1ec2ca024444d722f0b6bd34535e0cd [0,2,0,0,0,0|1,0,0]=3 2321 B9R0.48 C=CC[C@H](C)OCC(=O)N 81442f50a23cd38aaf08376b3d919b30 [0,2,0,0,0,0|2,0,0]=4 2322 B9R0.48 C=CC[C@H](C)OCC(=O)O 6ea8726abd2765890e4fcb26b01386e0 [0,2,0,0,0,0|1,0,0]=3 2323 B9R0.48 C=COC(=O)COC(C)C a2c2392c5ec1e704642cd23302e301c8 [0,2,0,0,0,0|1,0,0]=3 2324 B9R0.48 CC#CC(=O)NCC(C)C e82bcca2c749485b82eed7abb95b4ed1 [0,2,0,0,0,0|2,0,0]=4 2325 B9R0.48 CC#CC(C)OCC(=O)N edf00e7e25d82976b604c420dc19d994 [0,2,0,0,0,0|2,0,0]=4 2326 B9R0.48 CC#CC(C)OCC(=O)O e813873701cea8517348ce7a075a23bc [0,2,0,0,0,0|1,0,0]=3 2327 B9R0.48 CC(=O)CCN(C)CC#N df03b8e07225edb6c51145518342a733 [0,2,0,0,0,0|2,0,0]=4 2328 B9R0.48 CC(=O)CCN(C)CCF cdc83228dd3252c1749d13a60adc5400 [0,2,0,0,0,0|2,0,0]=4 2329 B9R0.48 CC(=O)CCN(C)CCO 4a03b831e9c1e8d9f6e965d9f1dd4ebb [0,2,0,0,0,0|2,0,0]=4 2330 B9R0.48 CC(=O)CNC(C)CC#N 411fc034ca518537ab837a56952cf84f [0,2,0,0,0,0|2,0,0]=4 2331 B9R0.48 CC(=O)CNC(C)CCO 9e95fc34e5592f78b50834034d3bee25 [0,2,0,0,0,0|2,0,0]=4 2332 B9R0.48 CC(=O)COC(C)CC#N eb8919a139a34aace08c8712d76e936b [0,2,0,0,0,0|2,0,0]=4 2333 B9R0.48 CC(=O)NCC(C)CCO e9136906ce0994bcda960f696063f2a9 [0,2,0,0,0,0|2,0,0]=4 2334 B9R0.48 CC(=O)NCC(C)OCF b0f4bcee091e9ec82fc9f31c12a11230 [0,2,0,0,0,0|2,0,0]=4 2335 B9R0.48 CC(=O)OCC(C)OCF d945c8dd292c0b146df582fcf02d66be [0,2,0,0,0,0|2,0,0]=4 2336 B9R0.48 CC(C)CCC(=O)NC#N 38f6aba8841dc8c8acc89fa79a371a14 [0,2,0,0,0,0|1,0,0]=3 2337 B9R0.48 CC(C)CCC(C)NC=O 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[0,2,0,0,0,0|2,0,0]=4 2442 B9R0.48 C[C@@H](CC#N)OCC(=O)O 8221ae7fefced7c44c448304bb0cf294 [0,2,0,0,0,0|1,0,0]=3 2443 B9R0.48 C[C@@H](CCC(=O)O)NCF b06f766ae4850f0433b3999a4509184a [0,2,0,0,0,0|0,0,0]=2 2444 B9R0.48 C[C@@H](CCO)NCC(=O)N ce9017a5837179665e14eb055febb119 [0,2,0,0,0,0|2,0,0]=4 2445 B9R0.48 C[C@@H](CCO)NCC(=O)O e3de9f2ceaa95fe96caa8265de6dee4c [0,2,0,0,0,0|1,0,0]=3 2446 B9R0.48 C[C@@H](O)CNC(=O)CCO 01b1ffada3c2f0f23e1dce4445c2104f [0,2,0,0,0,0|2,0,0]=4 2447 B9R0.48 C[C@@H](O)CNC(=O)CON f5ec3fc22d37acd9bf069c48805bf134 [0,2,0,0,0,0|2,0,0]=4 2448 B9R0.48 C[C@H](CC#N)OCC(=O)N 6ef0ed06ef30eb3431df63892ba9d306 [0,2,0,0,0,0|2,0,0]=4 2449 B9R0.48 C[C@H](CC#N)OCC(=O)O 8b21be68c80128a2aeb313ea629aed62 [0,2,0,0,0,0|1,0,0]=3 2450 B9R0.48 C[C@H](CCO)NCC(=O)N b5d7ad76dea80bd36b6380bd7b31cf62 [0,2,0,0,0,0|2,0,0]=4 2451 B9R0.48 C[C@H](CCO)NCC(=O)O a393ad11daa1ce12621ddeee9e978586 [0,2,0,0,0,0|1,0,0]=3 2452 B9R0.48 C[C@H](O)CNC(=O)CCO e03a4db8a40c5ae1a7bd3001f9c12be5 [0,2,0,0,0,0|2,0,0]=4 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dacbc56c3497dda920d4002ba9aafe2c [0,2,0,0,0,0|2,0,0]=4 2465 B9R0.64 CC(C)(CO)NCC(=O)O 67fe174ec0e1fc280c3085d51bb29881 [0,2,0,0,0,0|1,0,0]=3 2466 B9R0.64 CCC(C)(C)CNC(=O)C a5d06d07f2be7328cab309362822b65c [0,2,0,0,0,0|2,0,0]=4 2467 B9R0.64 CCC(C)(C)NCC(=O)N 28106e2989c09b9e47bc1095eab84054 [0,2,0,0,0,0|2,0,0]=4 2468 B9R0.64 CCC(C)(O)CNC(=O)C 5cdbea673ddb6eaec5c42e286f6da6ff [0,2,0,0,0,0|2,0,0]=4 2469 B9R0.64 COC(C)(C)CNC(=O)C 498dba83dc84f6d723d23e0aba6bb8a0 [0,2,0,0,0,0|2,0,0]=4 2470 B9R0.10 CC(=O)NC(C)C(C)(C)C a4bf66246dcf2107b144dd840725ce6c [0,2,0,0,0,0|2,0,0]=4 2471 B9R0.10 CC(=O)NC(C)C(C)(C)O d96104c7cf3d8380347ad859afbe482b [0,2,0,0,0,0|2,0,0]=4 2472 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)C d66f5e93c4bbb588d9e68fd8491a21c3 [0,2,0,0,0,0|2,0,0]=4 2473 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 1111eec15fbbb43cec42d2e095e2a297 [0,2,0,0,0,0|2,0,0]=4 2474 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 71e4c597c94beed3be03b4fa243d07cd [0,2,0,0,0,0|2,0,0]=4 2475 B9R0.10 CC(=O)N[C@H](C)C(C)(C)O cd35a2da994d3179ff856be18c18fa92 [0,2,0,0,0,0|2,0,0]=4 2476 B9R0.10 CN(CC(=O)N)C(C)(C)C 81ca6dbcd593219b93bf94bb144e8778 [0,2,0,0,0,0|2,0,0]=4 2477 B9R0.10 CN(CC(=O)O)C(C)(C)C c7cbcdbd59bc98528a6d52b866d8c1bd [0,2,0,0,0,0|1,0,0]=3 2478 B9R0.11 CC(=O)C(C)(C)NC(C)C db4af7c3257d0e25932ab6ce75a09d1a [0,2,0,0,0,0|2,0,0]=4 2479 B9R0.11 CC(=O)NC(C)(C)C(C)C e5ae815a6bb001488060d134ecd0d7a8 [0,2,0,0,0,0|2,0,0]=4 2480 B9R0.11 CC(C)NC(C)(C)C(=O)N c3ee98a68409f606b30255ab46b44884 [0,2,0,0,0,0|2,0,0]=4 2481 B9R0.11 CC(C)NC(C)(C)C(=O)O b6f14c368a38dd46f79213d90692b45e [0,2,0,0,0,0|1,0,0]=3 2482 B9R0.39 C#CC(OC(C)C)C(=O)O 49bdf733e0cd18ec903fd24fcb81a3b5 [0,2,0,0,0,0|1,0,0]=3 2483 B9R0.39 C/C=C(\OC(C)C)/C(=O)O 41280ad438d668160e49a40f3c15dda1 [0,2,0,0,0,0|1,0,1]=4 2484 B9R0.39 C=CC(NC(C)C)C(=O)O 3ba3ee308a335e4378d11bd8ab8d3907 [0,2,0,0,0,0|1,0,0]=3 2485 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 46c59b96562536fd12a7228d23ca4eb1 [0,2,0,0,0,0|1,0,0]=3 2486 B9R0.39 CC(=O)NC(CO)C(C)C 703c63e5ceccbfc00ce9c33d8c8ffb77 [0,2,0,0,0,0|2,0,0]=4 2487 B9R0.39 CC(=O)N[C@@H](CO)C(C)C 72d352aec1b33b2e93aa3c7e308adea3 [0,2,0,0,0,0|2,0,0]=4 2488 B9R0.39 CC(=O)N[C@H](CO)C(C)C 7badafc47e5ecc5a8804af3f7904c4d6 [0,2,0,0,0,0|2,0,0]=4 2489 B9R0.39 CC(C)N(CF)CC(=O)O fbcfb98f04e11cc85da91bf250fbdda7 [0,2,0,0,0,0|1,0,0]=3 2490 B9R0.39 CC(C)N(CO)CC(=O)O e1dd4cae1a1fde80fd16a2a4a1b81f5e [0,2,0,0,0,0|1,0,0]=3 2491 B9R0.39 CC(C)NC(C#N)C(=O)N d8667982380dd5edabd57a10c8c307d0 [0,2,0,0,0,0|2,0,0]=4 2492 B9R0.39 CC(C)NC(CCl)C(=O)O 1d090088e0aaa37c9b514c387755de07 [0,2,0,0,0,0|1,0,0]=3 2493 B9R0.39 CC(C)NC(CF)C(=O)O 8b21fa6f54b141f4b6af18b3b4ffefaa [0,2,0,0,0,0|1,0,0]=3 2494 B9R0.39 CC(C)NC(CO)C(=O)N d8875318116c6631efd5fac260a88826 [0,2,0,0,0,0|2,0,0]=4 2495 B9R0.39 CC(C)NC(CO)C(=O)O 85ee10fb3bac59316ce1e6039cfeb147 [0,2,0,0,0,0|1,0,0]=3 2496 B9R0.39 CC(C)NC(CS)C(=O)O b57c23a7d3e57d92473dea61f76a2672 [0,2,0,0,0,0|1,0,0]=3 2497 B9R0.39 CC(C)N[C@@H](CCl)C(=O)O fa611d0eed26ab34111eaa7cef381b27 [0,2,0,0,0,0|1,0,0]=3 2498 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 441354e6da5d266cf7f3d04efd4729b4 [0,2,0,0,0,0|2,0,0]=4 2499 B9R0.39 CC(C)N[C@@H](CO)C(=O)O 8ae958defe682519febcc0d02a27c749 [0,2,0,0,0,0|1,0,0]=3 2500 B9R0.39 CC(C)N[C@@H](CS)C(=O)O 119dfa838d7ff3de760652ba7e666146 [0,2,0,0,0,0|1,0,0]=3 2501 B9R0.39 CC(C)N[C@H](CCl)C(=O)O 4c423d085885a287396db55e021a67f5 [0,2,0,0,0,0|1,0,0]=3 2502 B9R0.39 CC(C)N[C@H](CO)C(=O)O f97c39ed7b4137999e81b90006e7bfe4 [0,2,0,0,0,0|1,0,0]=3 2503 B9R0.39 CC(C)N[C@H](CS)C(=O)O a1a62cb98dbd812d6c6c17f2766c44c4 [0,2,0,0,0,0|1,0,0]=3 2504 B9R0.39 CC(C)OC(CF)C(=O)O 4eb539bb2e6a75f80e116d9106d066eb [0,2,0,0,0,0|1,0,0]=3 2505 B9R0.39 CC(C)O[C@H](CF)C(=O)O 8f75e8da877a6bd31a8573cc837ee428 [0,2,0,0,0,0|1,0,0]=3 2506 B9R0.39 CCC(NC(=O)C)C(C)C 253d178d4b990459a13ddcfb33937234 [0,2,0,0,0,0|2,0,0]=4 2507 B9R0.39 CCC(NC(C)C)C(=O)N abcd3d2ef4a3fa1141e4f742570a9e4e [0,2,0,0,0,0|2,0,0]=4 2508 B9R0.39 CCC(NC(C)C)C(=O)O d1e2ab254f28f635f62d6836cb2971ca [0,2,0,0,0,0|1,0,0]=3 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CC(=O)N(C)CC(C)(C)C 7f5f1ba1a5ce75a29593efebb9170e16 [0,2,0,0,0,0|2,0,0]=4 2521 B9R0.57 CC(=O)N(C)CC(C)(C)O a29fce17a73d3d46a44a5986b0cadbdf [0,2,0,0,0,0|2,0,0]=4 2522 B9R0.57 CC(C)(C)NC(F)C(=O)N 002856cfc9535a66a036b48bdd1385b4 [0,2,0,0,0,0|2,0,0]=4 2523 B9R0.57 CC(C)(C)NC(F)C(=O)O caafb65aea0d94bbf30a2c8126339649 [0,2,0,0,0,0|1,0,0]=3 2524 B9R0.57 CC(C)(C)N[C@@H](F)C(=O)O dd857def7675bf92d846e473c3b96153 [0,2,0,0,0,0|1,0,0]=3 2525 B9R0.57 CC(C)N(C)CS(=O)(=O)O d2bdd1ab5d4397adc90b38f97a56dbea [0,2,0,0,0,0|2,0,0]=4 2526 B9R0.57 CC(NC(C)(C)C)C(=O)N eb85759cb04e25711e1ac7a2c45c93d9 [0,2,0,0,0,0|2,0,0]=4 2527 B9R0.57 C[C@@H](NC(C)(C)C)C(=O)N 27179207da8e50bebdddd45ab927463e [0,2,0,0,0,0|2,0,0]=4 2528 B9R0.57 C[C@H](NC(C)(C)C)C(=O)N f0e5a37056c2d7eae2b8afb8346ebd5b [0,2,0,0,0,0|2,0,0]=4 2529 B9R0.79 CC(=O)C(C)N(C)C(C)C 671bf142c263466554d58da0036009a5 [0,2,0,0,0,0|2,0,0]=4 2530 B9R0.79 CC(=O)N(C)C(C)C(C)C 36fb0da84ce96436c1f6865fe92b6f6f [0,2,0,0,0,0|2,0,0]=4 2531 B9R0.79 CC(C)N(C)C(C)C(=O)N 0675d0f0926bd17bd5837ef1933daf76 [0,2,0,0,0,0|2,0,0]=4 2532 B9R0.79 CC(C)N(C)C(C)C(=O)O e86e3ef885a98e9581732e5b4fd4673a [0,2,0,0,0,0|1,0,0]=3 2533 B9R0.79 CC(C)N(C)[C@@H](C)C(=O)N 76b9e738bcd2d6424cf7ba5358b318f3 [0,2,0,0,0,0|2,0,0]=4 2534 B9R0.79 CC(C)N(C)[C@@H](C)C(=O)O 801e51c74bed5f1ec1af558778f654a6 [0,2,0,0,0,0|1,0,0]=3 2535 B9R0.79 CC(C)N(C)[C@H](C)C(=O)N 0bcd1554faa8672651c4dce38f8a1bbf [0,2,0,0,0,0|2,0,0]=4 2536 B9R0.79 CC(C)N(C)[C@H](C)C(=O)O 92464dee844224f6dd9bbc5f0671fad7 [0,2,0,0,0,0|1,0,0]=3 2537 B9R0.77 CC(C)(C)NCS(=O)(=O)O 6a5d5e4c4533575bcc59439b481dd41e [0,2,0,0,0,0|2,0,0]=4 2538 B7R1.5 CC1CC1NC=O 11d2e4098455fa895a61be5d2e846089 [1,0,0,1,0,0|1,0,0]=3 2539 B7R1.5 CC1CC1NCO d401c45702bc5f310a419d102b35b78c [1,0,0,1,0,0|1,0,1]=4 2540 B7R1.7 C=CCNC1CC1 3f9b6ba489361afb59ec73915e7e75b8 [1,0,0,1,0,0|2,0,0]=4 2541 B7R1.7 C=CCOC1CC1 e9d2d1f50ca09419f38c26ddd9fe852c [1,0,0,1,0,0|2,0,0]=4 2542 B7R1.7 O=CCNC1CC1 96e340af7b360f214201a5a3c0a006d0 [1,0,0,1,0,0|1,0,0]=3 2543 B7R1.7 O=CCOC1CC1 147e3a4ed8a55c478f33e39a4b8c183b [1,0,0,1,0,0|1,0,0]=3 2544 B7R1.7 O=CNCC1CC1 d46f669abbd5c66800b3b497373db92a [1,0,0,1,0,0|1,0,0]=3 2545 B7R1.7 OCCNC1CC1 705f78fe268d00319295f25130b39077 [1,0,0,1,0,0|1,0,1]=4 2546 B7R1.7 OCNCC1CC1 9cf22817bea92a2e517d0f5b781259f3 [1,0,0,1,0,0|1,0,1]=4 2547 B7R1.10 O=CN1CC(C1)F 10673579aa5b90bc9fa1305ce11b0f6e [1,0,0,1,0,0|2,0,0]=4 2548 B7R1.10 O=CN1CC(C1)O c56a5fb25f079a78b4196509b3241e16 [1,0,0,1,0,0|2,0,0]=4 2549 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [1,0,0,1,0,0|2,0,0]=4 2550 B7R1.20 CC(=O)NC1CC1 d75fb765a64005f603eb0ff25694647c [1,0,0,1,0,0|2,0,0]=4 2551 B7R1.23 CC1(CN1C=O)C 554667b638ac8d632390465d91f13ad0 [1,0,0,1,0,0|1,0,0]=3 2552 B7R1.23 CC1(CN1CO)C e0279fee84fe6f7f5186cbf1fccd93be [1,0,0,1,0,0|1,0,1]=4 2553 B9R1.35 CC(=O)N1CCC(C1)C 62fae45163ab5fc8df8ad46633eee0ac [0,0,0,1,0,1|1,0,0]=3 2554 B9R1.35 CC(=O)N1CCC(C1)F a6d7f64dfc4ae3923d1e882541a80fe0 [0,0,0,1,0,1|2,0,0]=4 2555 B9R1.35 CC(=O)N1CCC(C1)O d6f7e3e992ee3d9bc88f42beae2651f4 [0,0,0,1,0,1|2,0,0]=4 2556 B9R1.35 CC(=O)N1CCN(C1)C 5a30c81e7d4d94bbb4d67833191502c6 [0,0,0,1,0,1|2,0,0]=4 2557 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1016d6a16006ef8ebfa1a324326808d5 [0,0,0,1,0,1|2,0,0]=4 2558 B9R1.35 CC(=O)N1CC[C@@H](C1)O eba103538f34c1984ba106a2ce04ce40 [0,0,0,1,0,1|2,0,0]=4 2559 B9R1.35 CC(=O)N1CC[C@H](C1)F 286010f93b872d924c1e32cdd70d17f3 [0,0,0,1,0,1|2,0,0]=4 2560 B9R1.35 CC(=O)N1CC[C@H](C1)O a7a4738d457ef17a95fd7f51dd477d8d [0,0,0,1,0,1|2,0,0]=4 2561 B9R1.35 CC(C)N1CCC(C1)O 21f8c031d2f6a927dbb6c9a27ee4e7ab [0,0,0,1,0,1|1,0,1]=4 2562 B9R1.35 CC(C)N1CC[C@@H](C1)O 531534c6fa2806f931b93c252de986ae [0,0,0,1,0,1|1,0,1]=4 2563 B9R1.35 CC(C)N1CC[C@H](C1)O 2a1cf7d77e1814b9658acde1b597f781 [0,0,0,1,0,1|1,0,1]=4 2564 B9R1.35 CC(C)N1CNC(=O)C1 df3ce712d6a54b3ff1bfa9ba9b4c87dc [0,0,0,1,0,1|2,0,0]=4 2565 B9R1.46 C=C(Br)CNC1CC1C 6a21ba73831e8c995c5be343bd73ffab [0,0,0,1,0,1|2,0,0]=4 2566 B9R1.46 C=C(C)CNC1CC1C 2b9ed88b52a9db253a701d69a05910c6 [0,0,0,1,0,1|2,0,0]=4 2567 B9R1.46 C=C(Cl)CNC1CC1C 41939aef17647277c90201ff2ab0dbe1 [0,0,0,1,0,1|2,0,0]=4 2568 B9R1.46 C=C(F)CNC1CC1C 9a99a8fc778f2902c8674b440d7aa4db [0,0,0,1,0,1|2,0,0]=4 2569 B9R1.46 C=C1CC1COC(C)C bd4682c2a1e93525776b7505cd509127 [0,0,0,1,0,1|2,0,0]=4 2570 B9R1.46 CC(O)CNC1CC1C 65a3dce9b80b7e6073fecc0b82a4278c [0,0,0,1,0,1|1,0,1]=4 2571 B9R1.46 CC1CC1NCC(=O)N 0f761d58efdd237db8c0f17aea937594 [0,0,0,1,0,1|1,0,0]=3 2572 B9R1.46 CC1CC1NCC(=O)O 3bfaf8234ce2a2ce9175fc2c1a135a09 [0,0,0,1,0,1|0,0,0]=2 2573 B9R1.46 CC1CC1NC[C@@H](C)O e235a82f857b1ad469c64953d9779c93 [0,0,0,1,0,1|1,0,1]=4 2574 B9R1.46 CC1CC1NC[C@H](C)O 1ffb1a76a30a6fa9c1940857f79ab76f [0,0,0,1,0,1|1,0,1]=4 2575 B9R1.46 CC1CC1NC[N+](=O)[O-] e62512da68fa2e001869e91cd0ad930b [0,0,0,1,0,1|1,0,1]=4 2576 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 3b2b6520b4ae83ab4e1ce2b8b3b6429a [0,0,0,1,0,1|2,0,0]=4 2577 B9R1.46 NC(=O)CN[C@H]1C[C@@H]1F 69bd8c1f10a36ab70a4088bf55d26d09 [0,0,0,1,0,1|2,0,0]=4 2578 B9R1.46 NC(=O)CN[C@H]1C[C@H]1F 2794dd04c73e89c247d26f60b9701a61 [0,0,0,1,0,1|2,0,0]=4 2579 B9R1.46 O=C(O)CN[C@@H]1C[C@H]1F a6c43cdb6b93e8ffb5565a60fb69e134 [0,0,0,1,0,1|1,0,0]=3 2580 B9R1.46 O=C(O)CN[C@H]1C[C@@H]1F 69d5a409f8843b0b8e9804d9f047552d [0,0,0,1,0,1|1,0,0]=3 2581 B9R1.46 O=C(O)CN[C@H]1C[C@H]1F cedd2a80fac675c783fcb497e5c8c7a7 [0,0,0,1,0,1|1,0,0]=3 2582 B9R1.53 CC(=O)NC1CC(C1)F 7223308b19c70b0e1bd9898cb652418c [0,0,0,1,0,1|2,0,0]=4 2583 B9R1.53 CC(=O)NC1CC(C1)O 8799f4af3e0b6d09fbf8b9528ac7ebaa [0,0,0,1,0,1|2,0,0]=4 2584 B9R1.53 CC(=O)NC1CN(C1)C 5352a1082a0de910e4849e8a20f416eb [0,0,0,1,0,1|2,0,0]=4 2585 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)F 181d91871be7f8e4efc6814a1c683243 [0,0,0,1,0,1|2,0,0]=4 2586 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 8a924b3dc097e65a33d640e85c34f83f [0,0,0,1,0,1|2,0,0]=4 2587 B9R1.53 CC(=O)N[C@H]1C[C@H](C1)F 44691e28cb286cfd51c0cab56e7261eb [0,0,0,1,0,1|2,0,0]=4 2588 B9R1.53 CC(=O)N[C@H]1C[C@H](C1)O fe9ddac170e9c08eaecbd11e2341ace8 [0,0,0,1,0,1|2,0,0]=4 2589 B9R1.53 CC(C)CN1CC(C1)O 46fb5cebfac3f8aba8debb3015ad5411 [0,0,0,1,0,1|1,0,1]=4 2590 B9R1.53 CC(C)NC1CC(C1)O 8a4691bd08f47e33139daa1ab807341e [0,0,0,1,0,1|1,0,1]=4 2591 B9R1.53 CC(C)N[C@H]1C[C@@H](C1)O c167b0df42c7c340b5825c96b443fa77 [0,0,0,1,0,1|1,0,1]=4 2592 B9R1.53 CC(C)N[C@H]1C[C@H](C1)O d8ad7596f1e0ab49ff0a0c277eb289a5 [0,0,0,1,0,1|1,0,1]=4 2593 B9R1.53 CC(C)OC1CC(=O)C1 8ef8acfdd76ea16ede89418ba392179a [0,0,0,1,0,1|1,0,0]=3 2594 B9R1.53 NC(=O)CN1CC(C1)F 6f836876a332541e77d5af137d781077 [0,0,0,1,0,1|2,0,0]=4 2595 B9R1.53 NC(=O)CN1CC(C1)O 9049222e220fbd240264d7a67ff8edda [0,0,0,1,0,1|2,0,0]=4 2596 B9R1.53 O=C(O)CN1CC(C1)F bc7076e56d5dac9076928f37c7df6ae5 [0,0,0,1,0,1|1,0,0]=3 2597 B9R1.53 O=C(O)CN1CC(C1)O cd9cc5381132e3ab65c96da44eace8e8 [0,0,0,1,0,1|1,0,0]=3 2598 B9R1.85 C=C(Br)CCOC1CC1 e3312cf41fc063801f575f3664b7e218 [0,0,0,1,0,1|2,0,0]=4 2599 B9R1.85 C=C(Br)CNCC1CC1 48d2e19cc12571f0b747d8946a047a66 [0,0,0,1,0,1|2,0,0]=4 2600 B9R1.85 C=C(Br)COCC1CC1 72eed00bc2f8e00b0099015e72c2cd8f [0,0,0,1,0,1|2,0,0]=4 2601 B9R1.85 C=C(C)CCNC1CC1 6ae96494db2a3a4fc4ed3a2a1637d035 [0,0,0,1,0,1|2,0,0]=4 2602 B9R1.85 C=C(C)CCOC1CC1 ddccda51fae4017136f8b3a868b4dd9c [0,0,0,1,0,1|2,0,0]=4 2603 B9R1.85 C=C(C)CNCC1CC1 628bc75d287b4f812cc8465de02f17f7 [0,0,0,1,0,1|2,0,0]=4 2604 B9R1.85 C=C(C)COCC1CC1 603f38758eee841c895005229814bd4b [0,0,0,1,0,1|2,0,0]=4 2605 B9R1.85 C=C(Cl)CNCC1CC1 6872c59df27d0869a77c777c3f4cc4b5 [0,0,0,1,0,1|2,0,0]=4 2606 B9R1.85 C=C(Cl)COCC1CC1 e89eb66864a4bf1519ae687951fd59fe [0,0,0,1,0,1|2,0,0]=4 2607 B9R1.85 C=C(F)CNCC1CC1 8a1f3f077a28213a137b73fb34c4bbae [0,0,0,1,0,1|2,0,0]=4 2608 B9R1.85 C=C(F)COCC1CC1 1221b82cfe1b9ce180c9dd23d57c682a [0,0,0,1,0,1|2,0,0]=4 2609 B9R1.85 C=C(I)COCC1CC1 488dc2053d0eed68e56b9809cc9fb852 [0,0,0,1,0,1|2,0,0]=4 2610 B9R1.85 CC(=O)CCNC1CC1 47abd95c844e9d1957c333790f465980 [0,0,0,1,0,1|1,0,0]=3 2611 B9R1.85 CC(=O)CCOC1CC1 71bcc53c6961c217f2fe0eeac463e457 [0,0,0,1,0,1|1,0,0]=3 2612 B9R1.85 CC(=O)CNCC1CC1 0e70ea741601e77cf733a6778389766b [0,0,0,1,0,1|1,0,0]=3 2613 B9R1.85 CC(=O)COCC1CC1 e2c3813cb7e7a8aa347ec5eecae51c32 [0,0,0,1,0,1|1,0,0]=3 2614 B9R1.85 CC(=O)NCCC1CC1 e17912b5d20abd22f2eb1736360bbd32 [0,0,0,1,0,1|1,0,0]=3 2615 B9R1.85 CC(=O)NCCN1CC1 5a0c4535a5a496142ea1508023641fc9 [0,0,0,1,0,1|2,0,0]=4 2616 B9R1.85 CC(=O)NCOC1CC1 70ce6f7c14c837c1b045f23cbea930af [0,0,0,1,0,1|2,0,0]=4 2617 B9R1.85 CC(=O)OCNC1CC1 da62e5e32d1f81a77a949f5af5a6b75f [0,0,0,1,0,1|2,0,0]=4 2618 B9R1.85 CC(=O)OCOC1CC1 629a62a109941175cd54150945f4f00b [0,0,0,1,0,1|2,0,0]=4 2619 B9R1.85 CC(O)CCNC1CC1 d831798b3bd96a2a1eb8b44ce820c125 [0,0,0,1,0,1|1,0,1]=4 2620 B9R1.85 CC(O)CNCC1CC1 d26bf0aff11e769c3c0521de341f8a80 [0,0,0,1,0,1|1,0,1]=4 2621 B9R1.85 CS(=O)CCNC1CC1 5168ea55db471330d31f17c7dec6d5ef [0,0,0,1,0,1|2,0,0]=4 2622 B9R1.85 CS(=O)CCOC1CC1 0eb2c24935f0b7436887342c8c46aa3d [0,0,0,1,0,1|2,0,0]=4 2623 B9R1.85 C[C@@H](O)CCNC1CC1 2d686f06321c342337ad7e01b43fcacd [0,0,0,1,0,1|1,0,1]=4 2624 B9R1.85 C[C@@H](O)CNCC1CC1 ce262ca96d5a775c1975cb27b5722822 [0,0,0,1,0,1|1,0,1]=4 2625 B9R1.85 C[C@H](O)CCNC1CC1 75122ad820ea85c9501aa14d2208e1b1 [0,0,0,1,0,1|1,0,1]=4 2626 B9R1.85 C[C@H](O)CNCC1CC1 26c3c4331f1fa042d0a655439dfd87b7 [0,0,0,1,0,1|1,0,1]=4 2627 B9R1.85 NC(=O)CCNC1CC1 483a1398436bb03ac3b47583a045e7fa [0,0,0,1,0,1|1,0,0]=3 2628 B9R1.85 NC(=O)CCOC1CC1 e606ed505d7697d9f714c4395a14fa31 [0,0,0,1,0,1|1,0,0]=3 2629 B9R1.85 NC(=O)CNCC1CC1 20ebedd011b375c931ef532bff65156e [0,0,0,1,0,1|1,0,0]=3 2630 B9R1.85 NC(=O)COCC1CC1 96a956ffbb3f4717e41e4ec22d046bcb [0,0,0,1,0,1|1,0,0]=3 2631 B9R1.85 NC(=O)NCOC1CC1 6c6241a0ba40cff9ded7f5b2fd89b8c6 [0,0,0,1,0,1|2,0,0]=4 2632 B9R1.85 NC(=O)SCNC1CC1 31363d66faf309bf152bf4f8fb990bb1 [0,0,0,1,0,1|2,0,0]=4 2633 B9R1.85 NC(=O)SCOC1CC1 a67d6152d32b3e27dc058c54797ca56f [0,0,0,1,0,1|2,0,0]=4 2634 B9R1.85 NC(=S)CCNC1CC1 dabf37beef5e7d4a005079c313648b28 [0,0,0,1,0,1|1,1,0]=4 2635 B9R1.85 NC(=S)COCC1CC1 c305a74582f848a2e9b8ad48ea04e199 [0,0,0,1,0,1|1,1,0]=4 2636 B9R1.85 O=C(O)CCNC1CC1 d7e51b454c1ee077c45877f37cbd9dbc [0,0,0,1,0,1|0,0,0]=2 2637 B9R1.85 O=C(O)CCOC1CC1 920ebb5ee7c45a619a1db975c9276d90 [0,0,0,1,0,1|0,0,0]=2 2638 B9R1.85 O=C(O)CNCC1CC1 8970904c8ad5ee5911fea5cdeb7d255c [0,0,0,1,0,1|0,0,0]=2 2639 B9R1.85 O=C(O)COCC1CC1 bc7f43afa7576a49960c4f48c84cf235 [0,0,0,1,0,1|0,0,0]=2 2640 B9R1.85 O=S(O)CCNC1CC1 94430ad6d7db95012341d5c559357b1e [0,0,0,1,0,1|1,0,0]=3 2641 B9R1.85 O=S(O)COCC1CC1 0d96823bb52c88fc09e1ef8215fd789f [0,0,0,1,0,1|1,0,0]=3 2642 B9R1.85 O=[N+]([O-])CCOC1CC1 3f50b65f1c424b0211e3f7a3098afb59 [0,0,0,1,0,1|1,0,1]=4 2643 B9R1.85 O=[N+]([O-])CNCC1CC1 76f5a8ee734858575227517ac39bd00f [0,0,0,1,0,1|1,0,1]=4 2644 B9R1.85 O=[N+]([O-])COCC1CC1 ee8a76dfb23d62fde6d21e146aec884c [0,0,0,1,0,1|1,0,1]=4 2645 B9R1.170 C=C(Br)CN1CC1(C)C 951a97e0fae83d3b85f2be761cdbf80e [0,0,0,1,0,1|2,0,0]=4 2646 B9R1.170 C=C(C)CN1CC1(C)C ce4a7acc0e759c4660d9c62570c75c7b [0,0,0,1,0,1|2,0,0]=4 2647 B9R1.170 C=C(Cl)CN1CC1(C)C e5cd2faf83e22a268ff4e01e2cde1d1f [0,0,0,1,0,1|2,0,0]=4 2648 B9R1.170 C=C(F)CN1CC1(C)C 0574bb9ac19263b88c050512ad0f0d35 [0,0,0,1,0,1|2,0,0]=4 2649 B9R1.170 CC(=O)NC1CC1(C)C 61c79b4e42c36bc7a9365ff180f14cdd [0,0,0,1,0,1|1,0,0]=3 2650 B9R1.170 CC(=O)N[C@@H]1CC1(C)C eba22b1ed44543f7d679da436f8b8d30 [0,0,0,1,0,1|1,0,0]=3 2651 B9R1.170 CC(=O)N[C@H]1CC1(C)C 8c767d53d5dfba1d912673d478483d51 [0,0,0,1,0,1|1,0,0]=3 2652 B9R1.170 CC(O)CN1CC1(C)C 749120acc6acdf8a355ce53797608b2d [0,0,0,1,0,1|1,0,1]=4 2653 B9R1.170 CC1(CN1CC(=O)N)C 86e9bc4697c2603d8bce2ffd0971da9c [0,0,0,1,0,1|1,0,0]=3 2654 B9R1.170 CC1(CN1CC(=O)O)C 3ccf565e03ddb18b56e78099947f70c7 [0,0,0,1,0,1|0,0,0]=2 2655 B9R1.170 CC1(CN1C[N+](=O)[O-])C 161aabb40753cdfbad23c41c124e6889 [0,0,0,1,0,1|1,0,1]=4 2656 B9R1.170 C[C@@H](O)CN1CC1(C)C 49c7a0ac05f4e0e224ebe66d94c2ff26 [0,0,0,1,0,1|1,0,1]=4 2657 B9R1.170 C[C@H](O)CN1CC1(C)C c2c469e019ed9c67aca1e9590c5f308e [0,0,0,1,0,1|1,0,1]=4 2658 B9R1.1 CC1CCN(CC1)C=O cd1885c4b5a60655a81f4f7aac11f926 [0,1,0,1,0,0|2,0,0]=4 2659 B9R1.1 CC1CCN(CC1)CO 26b7dfa38ac2efd8f0c6b91628c67d49 [0,1,0,1,0,0|2,0,0]=4 2660 B9R1.67 CC(=O)NC1COC1C 8a920b5eb5f4182753f432fdd48c3fbd [0,1,0,1,0,0|2,0,0]=4 2661 B9R1.67 CC(=O)N[C@@H]1CC[C@H]1C 5c49b9b8f08f59f55b778fc02f7c64d4 [0,1,0,1,0,0|2,0,0]=4 2662 B9R1.67 CC(=O)N[C@H]1CC[C@H]1C c339870f892b73bf50fa9d649fc76de5 [0,1,0,1,0,0|2,0,0]=4 2663 B9R1.67 CC(C)N[C@H]1CNC1=O 3974b22a7367872daaa4f688eda0456a [0,1,0,1,0,0|2,0,0]=4 2664 B9R1.67 CC(C)OC1CCC1=O 11e32319af5fad4b832da68a85d1c646 [0,1,0,1,0,0|2,0,0]=4 2665 B9R1.78 C#CC(=O)NC1CC1C f156b18c8b0c4b6c6ec31aca30c164be [0,1,0,1,0,0|2,0,0]=4 2666 B9R1.78 C=CC(=O)NC1CC1C ac4ea5e99803f2642639241cf2296460 [0,1,0,1,0,0|2,0,0]=4 2667 B9R1.78 CC1CC1NC(=O)C=O 11e45b3c0cb4be1c030cc515c6ac51d7 [0,1,0,1,0,0|1,0,1]=4 2668 B9R1.78 CC1CC1NC(=O)CF 934ceeb88f84d72da00d41678d8ae7d3 [0,1,0,1,0,0|2,0,0]=4 2669 B9R1.78 CC1CC1NC(=O)CO 740515921c7bf5adffa2bc0f92edb9b2 [0,1,0,1,0,0|1,0,0]=3 2670 B9R1.78 CC1CC1NC(=O)CS a0e64b0c4a347fdee2c703de954081d6 [0,1,0,1,0,0|1,1,0]=4 2671 B9R1.78 CCC(=O)NC1CC1C 42c677a5541bbbde1b9869b4aa770e12 [0,1,0,1,0,0|2,0,0]=4 2672 B9R1.78 O=C(CO)N[C@@H]1C[C@H]1F 51e2a7a92ef4c96f5697e0bd7910b42a [0,1,0,1,0,0|2,0,0]=4 2673 B9R1.78 O=C(CO)N[C@H]1C[C@@H]1F b195fac97b178a3d5b5f27f1c762dbd8 [0,1,0,1,0,0|2,0,0]=4 2674 B9R1.78 O=C(CO)N[C@H]1C[C@H]1F 8ea1ba659a9f597b9d647ec17a0d8fab [0,1,0,1,0,0|2,0,0]=4 2675 B9R1.80 C#CC(=O)NCC1CC1 daa51788d1ac3e4d3ab8e5651686a376 [0,1,0,1,0,0|2,0,0]=4 2676 B9R1.80 C=C(C=O)OCC1CC1 19c54a69dca512d54cd8a6a00bb7ed8b [0,1,0,1,0,0|2,0,0]=4 2677 B9R1.80 C=C(CNC1CC1)OC 67f94deee5acc57666c6c6c03c894ee9 [0,1,0,1,0,0|2,0,0]=4 2678 B9R1.80 C=C(CO)CNC1CC1 95b9423a322e7856c85f7cd663b8f916 [0,1,0,1,0,0|2,0,0]=4 2679 B9R1.80 C=C(COC1CC1)OC 2ca81d70db6d04dc129c451b52b91565 [0,1,0,1,0,0|2,0,0]=4 2680 B9R1.80 C=CC(=O)NCC1CC1 c82d60596d8326f64870dc97f1275895 [0,1,0,1,0,0|2,0,0]=4 2681 B9R1.80 CCC(=O)CNC1CC1 37826a98e92108ea7fc6fac87e9bc89f [0,1,0,1,0,0|2,0,0]=4 2682 B9R1.80 CCC(=O)COC1CC1 91b908d3bdda21bf408da4d85b40356e [0,1,0,1,0,0|2,0,0]=4 2683 B9R1.80 CCC(=O)NCC1CC1 0fd8034b5195a5a694e4806b7766cc71 [0,1,0,1,0,0|2,0,0]=4 2684 B9R1.80 CNC(=O)CNC1CC1 7b00deb42f44eacf971e8df243f3d5fb [0,1,0,1,0,0|2,0,0]=4 2685 B9R1.80 CNC(=O)COC1CC1 ff73b75ee898dc4ab042a3386accab58 [0,1,0,1,0,0|2,0,0]=4 2686 B9R1.80 COC(=O)CNC1CC1 37b7063fe7ca1fcea414d9751a83b310 [0,1,0,1,0,0|1,0,0]=3 2687 B9R1.80 COC(=O)COC1CC1 ac4fde0d4cebfa3b71c6179e0035aa22 [0,1,0,1,0,0|1,0,0]=3 2688 B9R1.80 O=C(CF)NCC1CC1 bd65a3abd206f713d85d03567008090d [0,1,0,1,0,0|2,0,0]=4 2689 B9R1.80 O=C(CNC1CC1)NO 336918cceffa2835ff69e4f871ea2b67 [0,1,0,1,0,0|1,0,0]=3 2690 B9R1.80 O=C(CO)CNC1CC1 8ca5e06ba58066d00de17d8cea9c9025 [0,1,0,1,0,0|1,0,0]=3 2691 B9R1.80 O=C(CO)NCC1CC1 1aa11e15f6d97fd26e12f2bf021722dd [0,1,0,1,0,0|1,0,0]=3 2692 B9R1.80 O=C(CS)NCC1CC1 4799434c4261038cc690dddbd1100a1e [0,1,0,1,0,0|1,1,0]=4 2693 B9R1.80 O=CC(=O)NCC1CC1 f85b85f0b158ad0ed7afad1789eae3f6 [0,1,0,1,0,0|1,0,1]=4 2694 B9R1.82 O=C(CO)N1CC(C1)F 54804ef83ae8e910e534df47ce7c78f1 [0,1,0,1,0,0|2,0,0]=4 2695 B9R1.82 O=C(CO)N1CC(C1)O 2086dd098a2aa7cd776869cf85de5ed2 [0,1,0,1,0,0|2,0,0]=4 2696 B9R1.84 CC(=O)CCN1CCC1 c956718020bd2b18bed19cbea6541b6f [0,1,0,1,0,0|2,0,0]=4 2697 B9R1.84 CC(=O)CNC1CCC1 bd7acdba40fc474c96d220c49c50bbfc [0,1,0,1,0,0|2,0,0]=4 2698 B9R1.84 CC(=O)CNC1COC1 34b9c76c982929db7f109f80d0c4fd5e [0,1,0,1,0,0|2,0,0]=4 2699 B9R1.84 CC(=O)COC1CCC1 d88d952edae987109b22eaffa67aceef [0,1,0,1,0,0|2,0,0]=4 2700 B9R1.84 CC(=O)COC1COC1 5801aa7efbf00c0e367deacdd1b9cb40 [0,1,0,1,0,0|2,0,0]=4 2701 B9R1.84 CC(=O)NCC1CCC1 49ba76efa54494cc240e1d7dd1323f42 [0,1,0,1,0,0|2,0,0]=4 2702 B9R1.84 CC(=O)NCC1CCO1 74e9962ae59f4502bd57c52161ee5de6 [0,1,0,1,0,0|2,0,0]=4 2703 B9R1.84 CC(=O)NCC1COC1 06f36132d2ba2aaa4f8f4e9acac72ed3 [0,1,0,1,0,0|2,0,0]=4 2704 B9R1.84 CC(=O)NC[C@@H]1CCO1 baaf61a8c2cd88fd09af18fef905e8f1 [0,1,0,1,0,0|2,0,0]=4 2705 B9R1.84 CC(=O)NC[C@H]1CCO1 089f4a24e0b07350837a3d7a33ecfc52 [0,1,0,1,0,0|2,0,0]=4 2706 B9R1.84 NC(=O)CCN1CCC1 7c7dcf2beb6babc71bb570ae0577e033 [0,1,0,1,0,0|2,0,0]=4 2707 B9R1.84 NC(=O)CNC1CCC1 22d17700eecb0c06f3b842c18a223914 [0,1,0,1,0,0|2,0,0]=4 2708 B9R1.84 NC(=O)CNC1COC1 a8c2e3a30adc74103bfe0a6e7bc55c70 [0,1,0,1,0,0|2,0,0]=4 2709 B9R1.84 NC(=O)COC1CCC1 2e70bd2c52f1b1ce8734b1f0deba9c6c [0,1,0,1,0,0|2,0,0]=4 2710 B9R1.84 NC(=O)COC1COC1 bc67e502b04ada45953557a5c7290473 [0,1,0,1,0,0|2,0,0]=4 2711 B9R1.84 NC(=O)COC1CSC1 b2fb3a99e520396fb80d4daaad793056 [0,1,0,1,0,0|2,0,0]=4 2712 B9R1.84 O=C(O)CCN1CCC1 c7456b9216b4090bb9138555bed1407a [0,1,0,1,0,0|1,0,0]=3 2713 B9R1.84 O=C(O)CNC1CCC1 cd102a6a388082590edc8eed5830f2b0 [0,1,0,1,0,0|1,0,0]=3 2714 B9R1.84 O=C(O)CNC1COC1 6bb06b4c2db0ff27bdfc2db31b9d0a43 [0,1,0,1,0,0|1,0,0]=3 2715 B9R1.84 O=C(O)COC1CCC1 6ea2b5eaf8c15cb47b19add287442093 [0,1,0,1,0,0|1,0,0]=3 2716 B9R1.84 O=C(O)COC1COC1 018c9639a2203f1b493d64da9ef6e678 [0,1,0,1,0,0|1,0,0]=3 2717 B9R1.84 O=C(O)COC1CSC1 386bd6c5f64faff25702916ce2fff970 [0,1,0,1,0,0|1,0,0]=3 2718 B9R1.84 O=S(O)COC1CCC1 41f090ccc207301c7067fca8add75b7b [0,1,0,1,0,0|2,0,0]=4 2719 B9R1.86 CC(=O)N[C@@H]1C[C@H]1CO 0ac341c281dc9252b106f5d7b9e0551f [0,1,0,1,0,0|2,0,0]=4 2720 B9R1.86 CC(=O)N[C@H]1C[C@@H]1CO 228632cfd2f8d7f21118d84b7904f197 [0,1,0,1,0,0|2,0,0]=4 2721 B9R1.86 CC(=O)N[C@H]1C[C@H]1CO 38116f4ae17d91e0551dbf756c4676ef [0,1,0,1,0,0|2,0,0]=4 2722 B9R1.86 CO[C@H]1C[C@H]1NC(=O)C b71e84ef949a92b8a12e539c63f6f21c [0,1,0,1,0,0|2,0,0]=4 2723 B9R1.95 CC(=O)N1CC(C1)CF 7e226eb25a37d0ef716532b073f9bc17 [0,1,0,1,0,0|2,0,0]=4 2724 B9R1.95 CC(=O)N1CC(C1)CO 85101a47431a7260906a7aae57e2dae8 [0,1,0,1,0,0|2,0,0]=4 2725 B9R1.95 CCC1CN(C1)C(=O)C bab914ace2e180340bf5a20b479d0aae [0,1,0,1,0,0|2,0,0]=4 2726 B9R1.95 CCN1CC(C1)C(=O)N 9f7db4592c3ec9a62c68649606469901 [0,1,0,1,0,0|2,0,0]=4 2727 B9R1.95 CCN1CC(C1)C(=O)O 081311d3c14b920e24630a696a7ba3f7 [0,1,0,1,0,0|1,0,0]=3 2728 B9R1.95 COC1CN(C1)C(=O)C 8d5807765a4dcadf973d1cf1977d8745 [0,1,0,1,0,0|2,0,0]=4 2729 B9R1.95 CSC1CN(C1)C(=O)C 2894d9912f5f4ff944df13b23e87b7f5 [0,1,0,1,0,0|2,0,0]=4 2730 B9R1.95 NC(=O)C1CN(C1)CF 3dd7e05fa664fb6682f611bee3e16273 [0,1,0,1,0,0|2,0,0]=4 2731 B9R1.95 NC(=O)C1CN(C1)CO da65aa36ba119c4a6f76c2fb84a9e25a [0,1,0,1,0,0|2,0,0]=4 2732 B9R1.95 O=C(O)C1CN(C1)CF 5858d7f931a4d75f836d678fe2360033 [0,1,0,1,0,0|1,0,0]=3 2733 B9R1.95 O=C(O)C1CN(C1)CO 464a11c339a26b6ec21bbe92982237ee [0,1,0,1,0,0|1,0,0]=3 2734 B9R1.133 CC1(CCN(C1)C=O)C 6fa53bf9d516a06c70bad33accfef10f [0,1,0,1,0,0|2,0,0]=4 2735 B9R1.133 CC1(CCN(C1)CO)C d158c1421c0d2d0dc5d2a63182ce978f [0,1,0,1,0,0|2,0,0]=4 2736 B9R1.147 CC(=O)NCC1(CC1)F a14b14ba22a98917bd71440d108400f9 [0,1,0,1,0,0|2,0,0]=4 2737 B9R1.147 CC(=O)NCC1(CC1)O d545e148c8e5a1bc54e3d5cdc886cdb3 [0,1,0,1,0,0|2,0,0]=4 2738 B9R1.147 CC1(CC1)NCC(=O)N 5520a845dfeb47eb234a7ac329e973b0 [0,1,0,1,0,0|2,0,0]=4 2739 B9R1.147 CC1(CC1)NCC(=O)O 791305df7ecb343fa5b5da54e63f6381 [0,1,0,1,0,0|1,0,0]=3 2740 B9R1.185 C#CC(=O)N1CC1(C)C 29e4fd5699526789b775acc9a7a01c93 [0,1,0,1,0,0|2,0,0]=4 2741 B9R1.185 C=CC(=O)N1CC1(C)C 932d146b1dc2b4ce688c47d22d866394 [0,1,0,1,0,0|2,0,0]=4 2742 B9R1.185 CC1(CN1C(=O)C=O)C b7f25c25b69b7a0e19095c857cca0b55 [0,1,0,1,0,0|1,0,1]=4 2743 B9R1.185 CC1(CN1C(=O)CF)C d244ff48c09d9d1a9fda7a48c2548d8a [0,1,0,1,0,0|2,0,0]=4 2744 B9R1.185 CCC(=O)N1CC1(C)C 4c36646e748a5e93c74fddfbc10f7054 [0,1,0,1,0,0|2,0,0]=4 2745 B9R1.112 CC(=O)C(C)NC1CC1 578daf6a12a73f9663c981f7bceeda1f [0,1,0,1,0,0|2,0,0]=4 2746 B9R1.112 CC(=O)C(C)OC1CC1 30ddb4c797d348d98c57f0ee09328957 [0,1,0,1,0,0|2,0,0]=4 2747 B9R1.112 CC(=O)N(C)CC1CC1 aa2557343c0335a57b22c64ac85ef07a [0,1,0,1,0,0|2,0,0]=4 2748 B9R1.112 CC(NC1CC1)C(=O)N a9c7d74ade2ebdd224a39302f5d18bf9 [0,1,0,1,0,0|2,0,0]=4 2749 B9R1.112 CC(NC1CC1)C(=O)O 9f16a679f53d1b6a7c598414dcc647c1 [0,1,0,1,0,0|1,0,0]=3 2750 B9R1.112 CC(OC1CC1)C(=O)N ff199b18df903389d7880a27249a0987 [0,1,0,1,0,0|2,0,0]=4 2751 B9R1.112 CC(OC1CC1)C(=O)O c571a164b07a3b0ff7a8556f8699f4a3 [0,1,0,1,0,0|1,0,0]=3 2752 B9R1.112 C[C@@H](NC1CC1)C(=O)N 70939fc330ba98da8c1645b9a6f3fcf3 [0,1,0,1,0,0|2,0,0]=4 2753 B9R1.112 C[C@@H](NC1CC1)C(=O)O 0af862409a6887d25e25f4a186199a51 [0,1,0,1,0,0|1,0,0]=3 2754 B9R1.112 C[C@@H](OC1CC1)C(=O)N b484ddfdefe2c8309e61fe2ab731ce12 [0,1,0,1,0,0|2,0,0]=4 2755 B9R1.112 C[C@@H](OC1CC1)C(=O)O 02a1dfde219281849e31ed75d43f36ac [0,1,0,1,0,0|1,0,0]=3 2756 B9R1.112 C[C@H](NC1CC1)C(=O)N 473107cd3bb6f22d12833b7f8fb42b5a [0,1,0,1,0,0|2,0,0]=4 2757 B9R1.112 C[C@H](NC1CC1)C(=O)O 8f50576c81c731defbf87059fbc2bbc5 [0,1,0,1,0,0|1,0,0]=3 2758 B9R1.112 C[C@H](OC1CC1)C(=O)N ed60384573a6c99d11104280606c6783 [0,1,0,1,0,0|2,0,0]=4 2759 B9R1.112 C[C@H](OC1CC1)C(=O)O 3ff101290c7cafe95c2fba539b32018c [0,1,0,1,0,0|1,0,0]=3 2760 B9R1.112 NC(=O)C(F)NC1CC1 7adad0e454ca386173410c7972b3c197 [0,1,0,1,0,0|2,0,0]=4 2761 B9R1.112 NC(=O)C(F)OC1CC1 94c45270fa68d3f441203320255f3431 [0,1,0,1,0,0|2,0,0]=4 2762 B9R1.112 O=C(O)C(F)NC1CC1 ab0cb5dbff8f96a53d4ab238afd2e5b2 [0,1,0,1,0,0|1,0,0]=3 2763 B9R1.112 O=C(O)C(O)NC1CC1 5879b8d2b4559669899973f84acbc223 [0,1,0,1,0,0|1,0,0]=3 2764 B9R1.112 O=C(O)[C@H](F)NC1CC1 2357739b82c4749fceebf72401d17ad2 [0,1,0,1,0,0|1,0,0]=3 2765 B9R1.137 CC(=O)N[C@@H](C)C1CC1 cb52c7f3ebe5aa8b915eead0d67bbb30 [0,1,0,1,0,0|2,0,0]=4 2766 B9R1.137 CC(=O)N[C@H](C)C1CC1 691d9804742e6e549d488040ae1ee5cb [0,1,0,1,0,0|2,0,0]=4 2767 B9R1.137 CN(CC(=O)N)C1CC1 e353d6cb022b6e315f0557db77d4879c [0,1,0,1,0,0|2,0,0]=4 2768 B9R1.137 CN(CC(=O)O)C1CC1 e912d9f2a96d438402b8e9e74437ecb9 [0,1,0,1,0,0|1,0,0]=3 2769 B9R1.164 CC(=O)N1CC(C1)(C)C f18c22bebfcab65f460227a573465f7b [0,1,0,1,0,0|2,0,0]=4 2770 B9R1.164 CC(=O)N1CC(C1)(C)O 7b2fe8896654a3a11184202c1e270a66 [0,1,0,1,0,0|2,0,0]=4 2771 B9R1.115 O=S(=O)(O)CNC1CC1 d72acda699e56ea960fa2935214e9037 [0,1,0,1,0,0|2,0,0]=4 2772 B9R1.115 O=S(=O)(O)COC1CC1 763321c3b2a4dc1ad4a461d788f7152d [0,1,0,1,0,0|2,0,0]=4 2773 B9R0.55 C/C(=C/CNCC(=O)O)/I a76d6dbc0e5328a9b8aa64ebd1b6c194 [0,0,0,0,0,2|1,0,1]=4 2774 B9R0.55 C/C(=C/CNCC(C)C)/I 8b832cafb892b94218bcf6b1a22e8b1f [0,0,0,0,0,2|2,0,0]=4 2775 B9R0.55 C/C(=C/COCC(=O)O)/Cl bdea4f5aeb03cc258b24f376652d8a21 [0,0,0,0,0,2|1,0,1]=4 2776 B9R0.55 C/C(=C/COCC(=O)O)/I 6bfad94351ed127d47214e042271c08e [0,0,0,0,0,2|1,0,1]=4 2777 B9R0.55 C/C(=C/COCC(C)C)/Cl eb314e884a3d53d5a1ecd565cf430ef9 [0,0,0,0,0,2|2,0,0]=4 2778 B9R0.55 C/C(=C/COCC(C)C)/I 3deb41fe6511ee43350a6dfa8427e1cd [0,0,0,0,0,2|2,0,0]=4 2779 B9R0.55 C/C(=C\CNCC(=O)O)/Cl 33489f0d342c5536f81ea090a2f820e8 [0,0,0,0,0,2|1,0,1]=4 2780 B9R0.55 C/C(=C\CNCC(C)C)/Cl 50064ae4816f57d6468d7ea8025a1098 [0,0,0,0,0,2|2,0,0]=4 2781 B9R0.55 C/C(=C\COCC(=O)O)/Cl 4fa34096288c6e1175d96996004a7d69 [0,0,0,0,0,2|1,0,1]=4 2782 B9R0.55 C/C(=C\COCC(C)C)/Cl 136b86880b2d64c87de17138e3748d12 [0,0,0,0,0,2|2,0,0]=4 2783 B9R0.55 C=C(Br)CCOCC(C)C bd506f21a7f72d5859e3a046f578eee7 [0,0,0,0,0,2|2,0,0]=4 2784 B9R0.55 C=C(Br)CNCCC(C)C 25faa38740f983e4433d01766e8730f0 [0,0,0,0,0,2|2,0,0]=4 2785 B9R0.55 C=C(Br)CNCOC(C)C 493655ff976a104b4759ebe32428b809 [0,0,0,0,0,2|2,0,0]=4 2786 B9R0.55 C=C(Br)COCCC(C)C eb57bb67c29ca003cfbfe10e0d6cc658 [0,0,0,0,0,2|2,0,0]=4 2787 B9R0.55 C=C(Br)COCOC(C)C 2b93dc1f5ef316b659ccecfb2d8a5000 [0,0,0,0,0,2|2,0,0]=4 2788 B9R0.55 C=C(C)CCCOC(C)C e3742700e2d73e11414a9d2165d14d13 [0,0,0,0,0,2|2,0,0]=4 2789 B9R0.55 C=C(C)CCNCC(=O)O 14f79230f366d4f53483d592ca1209f4 [0,0,0,0,0,2|0,0,2]=4 2790 B9R0.55 C=C(C)CCNCC(C)C cc94ef4ed5c8b5b4cc520b0e1a82b61a [0,0,0,0,0,2|2,0,0]=4 2791 B9R0.55 C=C(C)CCOCC(=O)O d511df34cdc214eb72cb2dd39c037f73 [0,0,0,0,0,2|0,0,2]=4 2792 B9R0.55 C=C(C)CCOCC(C)C ad250d1d2648365b7a9d4d37d3b8ebac [0,0,0,0,0,2|2,0,0]=4 2793 B9R0.55 C=C(C)CNCCC(=O)O c94702ac8441eb8e035c8c88a218653b [0,0,0,0,0,2|0,0,2]=4 2794 B9R0.55 C=C(C)CNCCC(C)C e511ee812ae62864d0d56d9a869f810c [0,0,0,0,0,2|2,0,0]=4 2795 B9R0.55 C=C(C)CNCOC(C)C 7c943e368373f97b420deea0ec518516 [0,0,0,0,0,2|2,0,0]=4 2796 B9R0.55 C=C(C)COCCC(=O)O e23f99666316477d86f1528d4f6e582f [0,0,0,0,0,2|0,0,2]=4 2797 B9R0.55 C=C(C)COCCC(C)C 18ecd9b546cd72b4cef7ebec434c3dfb [0,0,0,0,0,2|2,0,0]=4 2798 B9R0.55 C=C(C)COCOC(C)C e5471a999be05bf645fe3b5d80f61aa1 [0,0,0,0,0,2|2,0,0]=4 2799 B9R0.55 C=C(Cl)CNCCC(C)C 71740294c3215a86f0737f5777a9f7d8 [0,0,0,0,0,2|2,0,0]=4 2800 B9R0.55 C=C(Cl)COCCC(C)C f059c2da9c42ad918ad68c2e368224c5 [0,0,0,0,0,2|2,0,0]=4 2801 B9R0.55 C=C(Cl)COCOC(C)C 0324fb7d5d0e9aff0c8909ec1d32d8b0 [0,0,0,0,0,2|2,0,0]=4 2802 B9R0.55 C=C(F)CNCCC(C)C 0ef24ecaec3e679ffe7ec565dcd9dca9 [0,0,0,0,0,2|2,0,0]=4 2803 B9R0.55 C=C(F)COCCC(C)C d1a2858e4daab1776673df42b8ace619 [0,0,0,0,0,2|2,0,0]=4 2804 B9R0.55 C=C(I)COCCC(C)C 2b8f560dfc1e9d856eb0f41151625be8 [0,0,0,0,0,2|2,0,0]=4 2805 B9R0.55 C=C(I)COCOC(C)C a4db625cfcb7ab924d7f6cc526c56044 [0,0,0,0,0,2|2,0,0]=4 2806 B9R0.55 CC(=CCCOC(C)C)C 301a83615dab289582d19bb6d02e1adc [0,0,0,0,0,2|2,0,0]=4 2807 B9R0.55 CC(=CCNCC(=O)N)C f294be375a520a8636b9688190e6e936 [0,0,0,0,0,2|1,0,1]=4 2808 B9R0.55 CC(=CCNCC(=O)O)C eb2d4cd02024c6dd2f4bde47f5d99d0f [0,0,0,0,0,2|0,0,1]=3 2809 B9R0.55 CC(=CCNCC(=O)O)Cl 6d8afa17fed8b33a695b60b47587d586 [0,0,0,0,0,2|1,0,1]=4 2810 B9R0.55 CC(=CCNCC(=O)O)I e657b86155224eb6f1335bfe7dfa415c [0,0,0,0,0,2|1,0,1]=4 2811 B9R0.55 CC(=CCNCC(C)C)C 5c6576723150ad6f218ce1c1faf48311 [0,0,0,0,0,2|2,0,0]=4 2812 B9R0.55 CC(=CCNCC(C)C)Cl 946a1f6d8ea226ca7885f4a56d1af0e0 [0,0,0,0,0,2|2,0,0]=4 2813 B9R0.55 CC(=CCNCC(C)C)I 7d8b6f25ec50fe362d100d416ce2a5b1 [0,0,0,0,0,2|2,0,0]=4 2814 B9R0.55 CC(=CCOCC(=O)N)C 651a60c3a1d6fa1f11063ec39a68e8ab [0,0,0,0,0,2|1,0,1]=4 2815 B9R0.55 CC(=CCOCC(=O)O)C dd5792ad54701fa0e3373ee19c312e10 [0,0,0,0,0,2|0,0,1]=3 2816 B9R0.55 CC(=CCOCC(=O)O)Cl 694c1884a37ad5555ea5d980bc801c56 [0,0,0,0,0,2|1,0,1]=4 2817 B9R0.55 CC(=CCOCC(=O)O)I be3e61200a84664bfac9ff931641085e [0,0,0,0,0,2|1,0,1]=4 2818 B9R0.55 CC(=CCOCC(C)C)C cf6675097f885134069eafa3b89fa56a [0,0,0,0,0,2|2,0,0]=4 2819 B9R0.55 CC(=CCOCC(C)C)Cl ca293f459b0e214359ec5babfeb2a488 [0,0,0,0,0,2|2,0,0]=4 2820 B9R0.55 CC(=CCOCC(C)C)I 736bff7d94b0a17387024de8832c2c65 [0,0,0,0,0,2|2,0,0]=4 2821 B9R0.55 CC(=CCOCS(=O)O)C bba38f5b080fac2ce2c6fa8e5a394197 [0,0,0,0,0,2|1,0,1]=4 2822 B9R0.55 CC(=O)CCCOC(C)C ca9590f9812dfe3bbd12d00e8d8da35d [0,0,0,0,0,2|1,0,0]=3 2823 B9R0.55 CC(=O)CCNCC(=O)O 40694212f6627e29d6641d6f27eb6cbd [0,0,0,0,0,2|1,0,1]=4 2824 B9R0.55 CC(=O)CCNCC(C)C 4c46adea65c7a7a18afa0eb496cf810e [0,0,0,0,0,2|1,0,0]=3 2825 B9R0.55 CC(=O)CCNCC(C)O 1e4535b6e0ff075e7741b213424a4a2f [0,0,0,0,0,2|2,0,0]=4 2826 B9R0.55 CC(=O)CCNC[C@@H](C)O d673557cdbf1f592c8dda2f56361c517 [0,0,0,0,0,2|2,0,0]=4 2827 B9R0.55 CC(=O)CCNC[C@H](C)O 45bdb4c19b607b23643637f75b4e9707 [0,0,0,0,0,2|2,0,0]=4 2828 B9R0.55 CC(=O)CCOCC(=O)O 9074473ccbed0d52dad15c2ee2e3d18e [0,0,0,0,0,2|1,0,1]=4 2829 B9R0.55 CC(=O)CCOCC(C)C 9ee5575ae874bec3c1972a6d60564d69 [0,0,0,0,0,2|1,0,0]=3 2830 B9R0.55 CC(=O)CCOCC(C)F c746ebaf009979f59ee11e75904265b4 [0,0,0,0,0,2|2,0,0]=4 2831 B9R0.55 CC(=O)CCOCC(C)S 84f9642d3544369c1856724fb718e0a9 [0,0,0,0,0,2|2,0,0]=4 2832 B9R0.55 CC(=O)CCOCN(C)C 358eaca0e312daf92cc8597ceed5c1d1 [0,0,0,0,0,2|2,0,0]=4 2833 B9R0.55 CC(=O)CCOC[C@@H](C)F c8502d42a16118aee52b1137ce3c8158 [0,0,0,0,0,2|2,0,0]=4 2834 B9R0.55 CC(=O)CCOC[C@H](C)F ce373016b0ed0d862bfa7566abaf2432 [0,0,0,0,0,2|2,0,0]=4 2835 B9R0.55 CC(=O)CNCC=C(C)C 347004cda9a627e5bb1774daa03c36a7 [0,0,0,0,0,2|1,0,1]=4 2836 B9R0.55 CC(=O)CNCCC(=O)O f7e1177d8b3728ece360d0f60d2f3d30 [0,0,0,0,0,2|1,0,1]=4 2837 B9R0.55 CC(=O)CNCCC(C)C a808dcd2847c2da2ce54f5f0db358bfb [0,0,0,0,0,2|1,0,0]=3 2838 B9R0.55 CC(=O)CNCCC(C)O bb1baaff82472d97dc1cb89a36c3c257 [0,0,0,0,0,2|2,0,0]=4 2839 B9R0.55 CC(=O)CNCCN(C)C 2bfdf00c0d570e57e079c18fa106c33b [0,0,0,0,0,2|2,0,0]=4 2840 B9R0.55 CC(=O)CNCOC(C)C a945bade2363953109b966473de13912 [0,0,0,0,0,2|1,0,0]=3 2841 B9R0.55 CC(=O)COCC=C(C)C 0a1951a5fbff0d63456134d260dabed0 [0,0,0,0,0,2|1,0,1]=4 2842 B9R0.55 CC(=O)COCCC(=O)O 9181529c791e851b859a70ea035f0690 [0,0,0,0,0,2|1,0,1]=4 2843 B9R0.55 CC(=O)COCCC(C)C 6db7d2dfcb34356d041afbdf4ad10eaf [0,0,0,0,0,2|1,0,0]=3 2844 B9R0.55 CC(=O)COCCN(C)C 08b5b324aa9c95ec96ce560d6ace1e6b [0,0,0,0,0,2|2,0,0]=4 2845 B9R0.55 CC(=O)COCOC(C)C c8c376ed0f894da9d085e516b4703885 [0,0,0,0,0,2|1,0,0]=3 2846 B9R0.55 CC(=O)NCCCC(C)C fb53002ebde56b3103c957e1e4a39dab [0,0,0,0,0,2|1,0,0]=3 2847 B9R0.55 CC(=O)NCCCN(C)C 102e725d4de8a9a63bb409b78aa3277e [0,0,0,0,0,2|2,0,0]=4 2848 B9R0.55 CC(=O)NCCNC(C)C 822f6b4f05048df798b316cd1c28fb95 [0,0,0,0,0,2|1,0,0]=3 2849 B9R0.55 CC(=O)NCCOC(C)C b381b472459d35fc48cf96cd566b674a [0,0,0,0,0,2|1,0,0]=3 2850 B9R0.55 CC(=O)NCOCC(=O)O 199bc2e8e5e1191f0ae1489131d4aa2e [0,0,0,0,0,2|1,0,1]=4 2851 B9R0.55 CC(=O)NCOCC(C)C 99fab954934087ff9543d41841dc681b [0,0,0,0,0,2|1,0,0]=3 2852 B9R0.55 CC(=O)NCOCN(C)C f536eaf1942adc2749837004ba3cef73 [0,0,0,0,0,2|2,0,0]=4 2853 B9R0.55 CC(=O)OCCOC(C)C 47d9129c1599949f03f1848bfa090132 [0,0,0,0,0,2|1,0,0]=3 2854 B9R0.55 CC(=O)OCNCC(=O)O 931361d70c9f9259da3c0cb1999fabc7 [0,0,0,0,0,2|1,0,1]=4 2855 B9R0.55 CC(=O)OCNCC(C)C 73c52b46c778e94f160efebe7100b3ee [0,0,0,0,0,2|1,0,0]=3 2856 B9R0.55 CC(=O)OCNCC(C)O 9db9e7d06b2a8cad87a499ac08f0e412 [0,0,0,0,0,2|2,0,0]=4 2857 B9R0.55 CC(=O)OCNC[C@@H](C)O cf466a4403498827be8d51621b10fac5 [0,0,0,0,0,2|2,0,0]=4 2858 B9R0.55 CC(=O)OCNC[C@H](C)O 8d21f065d54dba23af256e127e2724b7 [0,0,0,0,0,2|2,0,0]=4 2859 B9R0.55 CC(=O)OCOCC(=O)O 420aa58c3d791b706016f7c13dd202fe [0,0,0,0,0,2|1,0,1]=4 2860 B9R0.55 CC(=O)OCOCC(C)C 890e7bb626a73ee23682d1a24e4e5660 [0,0,0,0,0,2|1,0,0]=3 2861 B9R0.55 CC(=O)OCOCC(C)F 1e266d93b2f84915d8da0c33fbda1669 [0,0,0,0,0,2|2,0,0]=4 2862 B9R0.55 CC(=O)OCOCC(C)S 0b6967d22dd320e77ec56e8e8c5ab8e4 [0,0,0,0,0,2|2,0,0]=4 2863 B9R0.55 CC(=O)OCOC[C@@H](C)F 1034db271157f331ac3275f87ea9d11c [0,0,0,0,0,2|2,0,0]=4 2864 B9R0.55 CC(=O)OCOC[C@H](C)F 2556adee788f90d2ea8da11a26bcc804 [0,0,0,0,0,2|2,0,0]=4 2865 B9R0.55 CC(=O)SCCOC(C)C 43a4faeca2d74acee795a0735650199a [0,0,0,0,0,2|1,0,0]=3 2866 B9R0.55 CC(C)CCNCC(=O)N a0656cb8464b6fd8b1ff4bd15f50cbc4 [0,0,0,0,0,2|1,0,0]=3 2867 B9R0.55 CC(C)CCNCC(=O)O bae9df2f573f745ee71bdebc170a935b [0,0,0,0,0,2|0,0,0]=2 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c1d65499ae131aec028ce1008fad9272 [0,0,0,0,0,2|0,0,0]=2 2880 B9R0.55 CC(C)CNCCC(=S)N b6eb2bf88748cd60cc7bb26949def87e [0,0,0,0,0,2|1,1,0]=4 2881 B9R0.55 CC(C)CNCCC(C)O 1e0db634f9173d1d3f2d70d101e78805 [0,0,0,0,0,2|1,0,1]=4 2882 B9R0.55 CC(C)CNCCS(=O)C f8911574509ee3e34b9a6fb39e9f6d09 [0,0,0,0,0,2|2,0,0]=4 2883 B9R0.55 CC(C)CNCCS(=O)O dfa1fe188cc20667a2b65b212e676b93 [0,0,0,0,0,2|1,0,0]=3 2884 B9R0.55 CC(C)CNCC[C@@H](C)O 2ea242edb154ea9e362eb4e00fd73b44 [0,0,0,0,0,2|1,0,1]=4 2885 B9R0.55 CC(C)CNCC[C@H](C)O 88ef43e42879c17115f9c87165f1c923 [0,0,0,0,0,2|1,0,1]=4 2886 B9R0.55 CC(C)CNCSC(=O)N 8a612380e6ef7c8f5185d2a22bd798fd [0,0,0,0,0,2|1,0,0]=3 2887 B9R0.55 CC(C)COCC=C(Cl)Cl dc0f39f37cd93a82c3dc09756e07fd30 [0,0,0,0,0,2|2,0,0]=4 2888 B9R0.55 CC(C)COCCC(=O)N e7a69b8b783cbc96e187123cf43e59f4 [0,0,0,0,0,2|1,0,0]=3 2889 B9R0.55 CC(C)COCCC(=O)O 1a7492ddc84059d0e80957dca0a4ad8a [0,0,0,0,0,2|0,0,0]=2 2890 B9R0.55 CC(C)COCCS(=O)C fc864c99de43400e6ba798829cdf7f50 [0,0,0,0,0,2|2,0,0]=4 2891 B9R0.55 CC(C)COCC[N+](=O)[O-] 47d503d251b69f33bbf02abd32e63f9d [0,0,0,0,0,2|1,0,1]=4 2892 B9R0.55 CC(C)COCNC(=O)N 08123fadbb28ea9d982d49fbb5e87197 [0,0,0,0,0,2|1,0,0]=3 2893 B9R0.55 CC(C)COCSC(=O)N 6bdf9a025d7ae4db16a42bb3216fa017 [0,0,0,0,0,2|1,0,0]=3 2894 B9R0.55 CC(C)NC/C=C/C(=O)O ae9dbd87f20c6972a3670d953188c3ce [0,0,0,0,0,2|0,0,1]=3 2895 B9R0.55 CC(C)NCC#CC(=O)N e52e05fca6a1c03dd1de0e41202b052d [0,0,0,0,0,2|1,0,1]=4 2896 B9R0.55 CC(C)NCC#CC(=O)O 2322157e673e62502fc91ecd464ad9e6 [0,0,0,0,0,2|0,0,1]=3 2897 B9R0.55 CC(C)NCC=CC(=O)O 8c3eb5e4ab7e707382a244b29e0cbb5e [0,0,0,0,0,2|0,0,1]=3 2898 B9R0.55 CC(C)NCCCC(=O)N 9e4c383ef9d91eb38a1cb9ea76545b30 [0,0,0,0,0,2|1,0,0]=3 2899 B9R0.55 CC(C)NCCCC(=O)O 01eb41f71d44f45aa45fe88cad39755b [0,0,0,0,0,2|0,0,0]=2 2900 B9R0.55 CC(C)NCCCS(=O)C 16782eee41672ce14cab39a1f6614436 [0,0,0,0,0,2|2,0,0]=4 2901 B9R0.55 CC(C)NCCNC(=S)N d2c7835966b76e48a9e31eb796f5233d [0,0,0,0,0,2|1,1,0]=4 2902 B9R0.55 CC(C)OC/C=C/C(=O)O 6bbca3c32dd54059c9ebefbdb83a4677 [0,0,0,0,0,2|0,0,1]=3 2903 B9R0.55 CC(C)OCC#CC(=O)O 192a4aa7410cc4a8c82dd63d229fa824 [0,0,0,0,0,2|0,0,1]=3 2904 B9R0.55 CC(C)OCC=CC(=O)O 0c0c6ff71b7a84b51cfd84c6c96dabb5 [0,0,0,0,0,2|0,0,1]=3 2905 B9R0.55 CC(C)OCCC=C(F)F e5e18e32bbf44a0f604eaedb0754c312 [0,0,0,0,0,2|2,0,0]=4 2906 B9R0.55 CC(C)OCCCC(=O)N 51a23f79a38cac73ae7b6c43c25b7bcc [0,0,0,0,0,2|1,0,0]=3 2907 B9R0.55 CC(C)OCCC[N+](=O)[O-] 294b4522b50d44bc807539101cdf4789 [0,0,0,0,0,2|1,0,1]=4 2908 B9R0.55 CC(C)OCCNC(=O)N a4a03f2751babfbf4974f25bd5919e06 [0,0,0,0,0,2|1,0,0]=3 2909 B9R0.55 CC(C)OCCNC(=S)N ff4e5bbac6f09b9b2ca5cc59691fa47a [0,0,0,0,0,2|1,1,0]=4 2910 B9R0.55 CC(C)OCNCC(=O)N 4623dc9ea900605748497d3d838b652d [0,0,0,0,0,2|1,0,0]=3 2911 B9R0.55 CC(C)OCNCC(=O)O 116e31958898eaa4d243bb8a4f561aab [0,0,0,0,0,2|0,0,0]=2 2912 B9R0.55 CC(C)OCNC[C@@H](C)O 80f824164f732a07247ab04849109631 [0,0,0,0,0,2|1,0,1]=4 2913 B9R0.55 CC(C)OCNC[C@H](C)O 455f65b4904e7d024a3c183852b2b0b7 [0,0,0,0,0,2|1,0,1]=4 2914 B9R0.55 CC(C)OCOCC(=O)N b5a7ab3c0754aafe656207a497cdcf0d [0,0,0,0,0,2|1,0,0]=3 2915 B9R0.55 CC(C)OCOCC(=O)O 185be0dff94a3b667aca878d046b91c5 [0,0,0,0,0,2|0,0,0]=2 2916 B9R0.55 CC(C)OCOCC(=S)N 750be69c72904c3786f19a77a5bad331 [0,0,0,0,0,2|1,1,0]=4 2917 B9R0.55 CC(C)OCOCS(=O)O fb7571885bae3ecb68bd2897e06c7f33 [0,0,0,0,0,2|1,0,0]=3 2918 B9R0.55 CC(F)COCCC(=O)N 051b0a8baa8c4dea0155e2e210bb1bb0 [0,0,0,0,0,2|2,0,0]=4 2919 B9R0.55 CC(F)COCCC(=O)O 576299124ecf48074968b3f5485a6420 [0,0,0,0,0,2|1,0,0]=3 2920 B9R0.55 CC(F)COCSC(=O)N e18ea3523691d9022e4816b5cdb00b0e [0,0,0,0,0,2|2,0,0]=4 2921 B9R0.55 CC(O)CCNCC(=O)N d60e66bceb90389360a4002efcacb8fa [0,0,0,0,0,2|2,0,0]=4 2922 B9R0.55 CC(O)CCNCC(=O)O f5b9d99827273ca6405b63a402359712 [0,0,0,0,0,2|1,0,0]=3 2923 B9R0.55 CC(O)CNCCC(=O)N 9e22e19f884b1ca5fa9ba22b71f71819 [0,0,0,0,0,2|2,0,0]=4 2924 B9R0.55 CC(O)CNCCC(=O)O 5882e34934c12d2feca68ee09fe20110 [0,0,0,0,0,2|1,0,0]=3 2925 B9R0.55 CC(O)CNCCS(=O)O 508e710c16cab6c037e8a01eec63d97e [0,0,0,0,0,2|2,0,0]=4 2926 B9R0.55 CC(O)CNCOC(C)C ad35607826e93cb883cf11144557b8f9 [0,0,0,0,0,2|1,0,1]=4 2927 B9R0.55 CC(O)CNCSC(=O)N 310a3668f516f4ce99a8597d9c3837e5 [0,0,0,0,0,2|2,0,0]=4 2928 B9R0.55 CC(S)COCCC(=O)N 9925d76f35cd27119937fa03b6552995 [0,0,0,0,0,2|2,0,0]=4 2929 B9R0.55 CC(S)COCCC(=O)O b635c1384c7caeef54ad902ade79227f [0,0,0,0,0,2|1,0,0]=3 2930 B9R0.55 CC(S)COCSC(=O)N cb81a391afb0154da400ce07b2549997 [0,0,0,0,0,2|2,0,0]=4 2931 B9R0.55 CN(C)CCNCC(=O)N e8510ac25318f7bd1696d4b330196d39 [0,0,0,0,0,2|2,0,0]=4 2932 B9R0.55 CN(C)CCNCC(=O)O 634f8ba28991fe4a91743dfcd1ec664b [0,0,0,0,0,2|1,0,0]=3 2933 B9R0.55 CN(C)CCOCC(=O)N 9f49915af320d245f81f03b513697896 [0,0,0,0,0,2|2,0,0]=4 2934 B9R0.55 CN(C)CCOCC(=O)O 841429c0c14a54a981cd653dba3ce73c [0,0,0,0,0,2|1,0,0]=3 2935 B9R0.55 CN(C)CCOCS(=O)O 1a2000344c8479c2928c32c294bf0416 [0,0,0,0,0,2|2,0,0]=4 2936 B9R0.55 CN(C)CNCCC(=O)N 504555717b773ac84b06c60be8a60181 [0,0,0,0,0,2|2,0,0]=4 2937 B9R0.55 CN(C)CNCCC(=O)O f2f92c2697e6f0a8922b2579c214314b [0,0,0,0,0,2|1,0,0]=3 2938 B9R0.55 CN(C)CNCCS(=O)O 4ef931f141fca5447ae5f43af82cf939 [0,0,0,0,0,2|2,0,0]=4 2939 B9R0.55 CN(C)COCCC(=O)N c9c2979856d0490b92859d0005c68a59 [0,0,0,0,0,2|2,0,0]=4 2940 B9R0.55 CN(C)COCCC(=O)O 2dce7716534601e6d7ec7d3859ddf712 [0,0,0,0,0,2|1,0,0]=3 2941 B9R0.55 CN(C)COCNC(=O)N 90dd7c4c951b481752cd6e992bc6b4d0 [0,0,0,0,0,2|2,0,0]=4 2942 B9R0.55 CS(=O)CCNCC(=O)O d14fa2db8bf0bb5b19c1028796e497cd [0,0,0,0,0,2|2,0,0]=4 2943 B9R0.55 CS(=O)CCOCC(=O)O 52722d02a38e3b2fdc3782816d19eb63 [0,0,0,0,0,2|2,0,0]=4 2944 B9R0.55 C[C@@H](F)COCCC(=O)N e8464d6d578a523cad90edd215e8b2e9 [0,0,0,0,0,2|2,0,0]=4 2945 B9R0.55 C[C@@H](F)COCCC(=O)O 34c340ab2328f74479e9fcc514019d74 [0,0,0,0,0,2|1,0,0]=3 2946 B9R0.55 C[C@@H](F)COCSC(=O)N 2ed42912b429b908aa1aea110ad3590d [0,0,0,0,0,2|2,0,0]=4 2947 B9R0.55 C[C@@H](O)CCNCC(=O)N e3e96ff2d37d9d270a814377a2485d08 [0,0,0,0,0,2|2,0,0]=4 2948 B9R0.55 C[C@@H](O)CCNCC(=O)O 6cb5155f5967c169f19da87fcc6fe141 [0,0,0,0,0,2|1,0,0]=3 2949 B9R0.55 C[C@@H](O)CNCCC(=O)N 1baae5cd66b2e5daebca417d839cf2e7 [0,0,0,0,0,2|2,0,0]=4 2950 B9R0.55 C[C@@H](O)CNCCC(=O)O 89bce0b12fdfcc97280f28e831e10e33 [0,0,0,0,0,2|1,0,0]=3 2951 B9R0.55 C[C@@H](O)CNCCS(=O)O f44d4d0563eb1080e8281f6caa53356f [0,0,0,0,0,2|2,0,0]=4 2952 B9R0.55 C[C@@H](O)CNCSC(=O)N 6cf88afb0cb57579a3bff87c828816e4 [0,0,0,0,0,2|2,0,0]=4 2953 B9R0.55 C[C@H](F)COCCC(=O)N 8bb5fcd0562b02c1c8d088b599f0ea14 [0,0,0,0,0,2|2,0,0]=4 2954 B9R0.55 C[C@H](F)COCCC(=O)O c8248d4a649741bb9f67d6321d2c0f56 [0,0,0,0,0,2|1,0,0]=3 2955 B9R0.55 C[C@H](F)COCSC(=O)N c48c77d02a1569e92bb0fabf844a02b5 [0,0,0,0,0,2|2,0,0]=4 2956 B9R0.55 C[C@H](O)CCNCC(=O)N 36179dc6c044d28e22b9c0cf92811207 [0,0,0,0,0,2|2,0,0]=4 2957 B9R0.55 C[C@H](O)CCNCC(=O)O ee12b5275e40fded6221f388dcb65b90 [0,0,0,0,0,2|1,0,0]=3 2958 B9R0.55 C[C@H](O)CNCCC(=O)N 424f4efc3eaaa1977a5002054a49e49e [0,0,0,0,0,2|2,0,0]=4 2959 B9R0.55 C[C@H](O)CNCCC(=O)O 1700bfa1d15f33a96885ae735b30c8fc [0,0,0,0,0,2|1,0,0]=3 2960 B9R0.55 C[C@H](O)CNCCS(=O)O bd36c73b17d8b3f3b24b05470356739e [0,0,0,0,0,2|2,0,0]=4 2961 B9R0.55 C[C@H](O)CNCSC(=O)N 27e6fad2a36fb5771169da36a955da01 [0,0,0,0,0,2|2,0,0]=4 2962 B9R0.55 O=C(O)CCNCC(F)F 83bfb620b6c72f7ea03c8ba8a106a893 [0,0,0,0,0,2|2,0,0]=4 2963 B9R0.55 O=C(O)CCOCC(F)F 6d860de1df08a6938b930a866fb948de [0,0,0,0,0,2|2,0,0]=4 2964 B9R0.55 O=C(O)CNCCC(F)F 36a1eacdaf75399080e933c29ff5f4e8 [0,0,0,0,0,2|2,0,0]=4 2965 B9R0.55 O=C(O)COCCC(F)F e697405c68cd45ae6bdf74d2e05b079c [0,0,0,0,0,2|2,0,0]=4