0 B6R0.4 C#CCNC(C)C cd1408fc1dae47155e40a1bc6beb1606 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.4 C#CCOC(C)C f06fe85c789040b5be09600decc77ea1 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [0,0,0,0,0,0|1,0,3]=4 3 B6R0.4 C=CCOC(C)C 041109637968f56803a7bcb6b6bd0ab7 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.4 CC(C)CNC#N 4669aa11e322ca513b1e9ea16868c159 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.4 CC(C)CNCF 8978b44d87fa42438515590def89eb79 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.4 CC(C)CNCO c3b5fde83cdd81c2f0ea167064fd2c5c [0,0,0,0,0,0|1,0,3]=4 9 B6R0.4 CC(C)COCF b089fa536e65fca20df885ea5dacd9f2 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.4 CC(C)NCC#N 8d9c5f2bbdfd2e60c34ddc5972663be0 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.4 CC(C)NCCBr a3900e505497b08f4c9baca17b4fa185 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.4 CC(C)NCCF 3152aefd56bd5a8bc9f6ac7f33a6fcdb [0,0,0,0,0,0|2,0,2]=4 13 B6R0.4 CC(C)NCCI 61300b723cb63b92262a59e1c054336d [0,0,0,0,0,0|2,0,2]=4 14 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [0,0,0,0,0,0|1,0,3]=4 15 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [0,0,0,0,0,0|1,1,2]=4 16 B6R0.4 CC(C)OCC#N 1be7e1885bd3670d21ecc2d4422857b0 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [0,0,0,0,0,0|1,0,1]=2 18 B6R0.4 CC(C)OCCF 102209588400e8045c1b7317560b3baf [0,0,0,0,0,0|2,0,2]=4 19 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [0,0,0,0,0,0|1,1,2]=4 20 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [0,0,0,0,0,0|2,0,2]=4 24 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [0,0,0,0,0,0|2,0,2]=4 25 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [0,0,0,0,0,0|3,0,1]=4 26 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.4 O=CNCC(F)F b205fb0d823ccdf5423d257101ba187a [0,0,0,0,0,0|3,0,1]=4 30 B5R0.1 CC(C)NC#N ca654f29c9678ccae3e6761ddb91602e [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,0,0,0,0,0|1,0,1]=3 34 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [1,0,0,0,0,0|2,0,1]=4 35 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.2 C=C(C=O)OC(C)C 1024bdfd369573a0f4c5c31da01d34c1 [0,1,0,0,0,0|1,0,0]=2 40 B7R0.2 C=CC(C)NC(C)C 538c1af40a959f36dd21007158f94b60 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.2 C=CC(C)OC(C)C 532c4624b978961a1c4eda7e3050b228 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.2 C=C[C@H](C)OC(C)C 0e0bab0a84cd6e94202f911cf430b03e [0,1,0,0,0,0|2,0,1]=4 43 B7R0.2 CC(C)CN(C)C=O b4351ddc68e0590149228e0a5cd05648 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [0,1,0,0,0,0|1,0,1]=3 45 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [0,1,0,0,0,0|1,0,1]=3 46 B7R0.2 CC(O)CN(C)C=O 327f1a278ffacbbe3e88f0ce0c9edbdc [0,1,0,0,0,0|2,0,1]=4 47 B7R0.2 C[C@H](O)CN(C)C=O 25d41e47dcdadeb17ce6f98cdd60ebbc [0,1,0,0,0,0|2,0,1]=4 48 B7R0.3 C#CC(C)NCC=O ee5942f89b23fd86f41ead0eb91f1f2e [0,1,0,0,0,0|1,0,2]=4 49 B7R0.3 C#CC(C)OCC=O ba88f9e6c584cf37d447c8f942df3466 [0,1,0,0,0,0|1,0,2]=4 50 B7R0.3 C#C[C@@H](C)NCC=O 5e75d1c6c4c57369266bed642bd09c8c [0,1,0,0,0,0|1,0,2]=4 51 B7R0.3 C#C[C@@H](C)OCC=O e5dc09536c65fde58fa0a450d6db7a37 [0,1,0,0,0,0|1,0,2]=4 52 B7R0.3 C#C[C@H](C)NCC=O a08e4dd67e9c6ea8e5647895c6d0c01d [0,1,0,0,0,0|1,0,2]=4 53 B7R0.3 C#C[C@H](C)OCC=O 0416c8a6869357496f6fa27d6441617b [0,1,0,0,0,0|1,0,2]=4 54 B7R0.3 C/C=C/CN(C)CC a833def0c5a9483904429a6d4fa647bf [0,1,0,0,0,0|2,0,1]=4 55 B7R0.3 C/C=C\CN(C)CC 0d52835f1d4ec546901139cc9ef0efe3 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.3 C=CC(C)NCC=O 39b14e3f69e0eb05b9593b7c40c09aad [0,1,0,0,0,0|1,0,2]=4 57 B7R0.3 C=CC(C)OCC=O cb8ab1e26c946580cb2eacb238eceadb [0,1,0,0,0,0|1,0,2]=4 58 B7R0.3 C=CCNC(C)CC d45d48be61d418ef3d95cad9c5582bbe [0,1,0,0,0,0|2,0,1]=4 59 B7R0.3 C=CCNC(C)CO a948e20f9bd4754ec87302b6fdce81b3 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.3 C=CCN[C@@H](C)CC c610fd310f1909b965f637191eeb2b15 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.3 C=CCN[C@@H](C)CO e3ac2dff9fa8b94ad1bb6f4b16ad0799 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.3 C=CCN[C@H](C)CC 0c789cf00460bd8cdb23c51009c4742c [0,1,0,0,0,0|2,0,1]=4 63 B7R0.3 C=CCN[C@H](C)CO 45438ab57072f0e042c82a4659374125 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.3 C=CCOC(C)CC 787a9267d8fe014db706087d78f6c857 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.3 C=CCOC(C)CF fb11bf0cefab4ea0e38b93cfcee01743 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.3 C=CCOC(C)CS 0ddb9af989e9e9c33b24b66863a996b5 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.3 C=CCO[C@@H](C)CC b304fc3faf864b09563f01310febaac7 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.3 C=CCO[C@H](C)CC 15018d65de2076ec221d9660c184c296 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.3 C=CCO[C@H](C)CS fd43ed19bf853317b3a063b2977abf8d [0,1,0,0,0,0|2,0,1]=4 70 B7R0.3 C=C[C@H](C)OCC=O 1b1ed3039c6605fda21f2d5059ac888e [0,1,0,0,0,0|1,0,2]=4 71 B7R0.3 CC(C#N)NCC=O 69c055aa64463f8147e8c2a5cf4caa1a [0,1,0,0,0,0|1,0,2]=4 72 B7R0.3 CC(C=O)OCC=O 216dc0b62aef64aacebb34095641e5d6 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.3 CC(CF)OCC=O 41897813684ca2355d787ae430508b45 [0,1,0,0,0,0|1,0,1]=3 74 B7R0.3 CC(CO)CNC=O 24fbd7aa61fab8c89f8d9333e1a09567 [0,1,0,0,0,0|1,0,1]=3 75 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [0,1,0,0,0,0|1,0,1]=3 76 B7R0.3 CC(CS)OCC=O 4070359928b4f2d4ef682a3d0e169b5c [0,1,0,0,0,0|1,0,1]=3 77 B7R0.3 CCC(C)CNC=O ebd419a28eb79e00a55acb30bf712ff2 [0,1,0,0,0,0|1,0,1]=3 78 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [0,1,0,0,0,0|1,0,1]=3 79 B7R0.3 CCC(C)OCC=O 3048fa7b9eb03a623d9ab002261defa2 [0,1,0,0,0,0|1,0,1]=3 80 B7R0.3 CCC(O)CNC=O 3e7e1c1d57179570b5ce8a6f87ec4444 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.3 CCN(C)C/C=C/Cl 823585dad91397251f5e992cc63297db [0,1,0,0,0,0|2,0,1]=4 82 B7R0.3 CCN(C)C/C=C\Cl c5e2db65672dae81ab8ccdee907a4957 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.3 CCN(C)C/C=C\O 60deab8000357700021216d9934790c2 [0,1,0,0,0,0|1,0,2]=4 84 B7R0.3 CCN(C)CCC=O 7943cc4d9a1ab8d439ad27cf7b079146 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [0,1,0,0,0,0|1,0,1]=3 86 B7R0.3 CC[C@@H](C)OCC=O fcdaaaea8501897d08b7daa2ec02db5c [0,1,0,0,0,0|1,0,1]=3 87 B7R0.3 CC[C@@H](O)CNC=O 35e0b928eef0050ada3a4c2a6cc4db4c [0,1,0,0,0,0|2,0,1]=4 88 B7R0.3 CC[C@H](C)CNC=O 8ddf4a7afc076d1492904a4e2d1a92ee [0,1,0,0,0,0|1,0,1]=3 89 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [0,1,0,0,0,0|1,0,1]=3 90 B7R0.3 CC[C@H](C)OCC=O 1749dffdbae3c22c50ca54c1db5fd2b4 [0,1,0,0,0,0|1,0,1]=3 91 B7R0.3 CO[C@@H](C)CNC=O cbdf409ea735afb7a574d69375fb28db [0,1,0,0,0,0|1,0,1]=3 92 B7R0.3 CO[C@H](C)CNC=O 943b01dc3bd1c6157c7dfb62f870e0a6 [0,1,0,0,0,0|1,0,1]=3 93 B7R0.3 C[C@@H](CO)NCC=O 20c7bf02d372e36cba042ac5b28907f5 [0,1,0,0,0,0|1,0,1]=3 94 B7R0.3 C[C@H](CO)CNC=O 32037413a41facbb9dd3661f525eb476 [0,1,0,0,0,0|1,0,1]=3 95 B7R0.3 C[C@H](CO)NCC=O 1a3e3f6cab470e0221e0a223d10de41c [0,1,0,0,0,0|1,0,1]=3 96 B7R0.3 C[C@H](CS)OCC=O 54b8c633a4f5d8e7a615987326df81f2 [0,1,0,0,0,0|1,0,1]=3 97 B7R0.3 O=CNCC(Br)CBr 93597cc22f25c51d1dc8b5845ef56682 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.3 O=CNCC(F)CO 20b10b91868850c2fa4696a502438329 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.3 O=CNCC(O)CO f07ee978b5361099ae5463db2d8284c6 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.3 O=CNC[C@@H](F)CO fe3e6de1ebe35bf08c36352dbce26e10 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.3 O=CNC[C@@H](O)CO 4afeec0bbb868f60f0a97c37149bb7ed [0,1,0,0,0,0|2,0,1]=4 102 B7R0.3 O=CNC[C@H](F)CO 22ed73e19a0bc3d8fec3d0ab621da9c9 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.3 O=CNC[C@H](O)CO bac710e216d9ff7e3114b1f469852b76 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.4 C/C=C/COC(C)C 9aa0010d7f93a3506d4a773cf3ec644e [0,1,0,0,0,0|1,0,1]=3 105 B7R0.4 C/C=C\COC(C)C 0fabad7d11b4d0a5e5a55e0264bdae1c [0,1,0,0,0,0|1,0,1]=3 106 B7R0.4 C=CCCNC(C)C b52c7765f384ae2bfbfea60738f06e8b [0,1,0,0,0,0|1,0,2]=4 107 B7R0.4 C=CCCOC(C)C 1236c8c26ebbecb079980edfed00132c [0,1,0,0,0,0|1,0,2]=4 108 B7R0.4 C=CCNCC(C)C 7f73adb711a665b808680f9f4e975092 [0,1,0,0,0,0|1,0,2]=4 109 B7R0.4 C=CCOCC(C)C 430e26f15a2ffd69e16a09cb44866cd6 [0,1,0,0,0,0|1,0,2]=4 110 B7R0.4 CC(=CCNC=O)C aa6f8132c2b4d81390aba70f51f750c7 [0,1,0,0,0,0|0,0,2]=3 111 B7R0.4 CC(C)CCNC=O 8fb8d2f77b8e7548ff10a901f65a6a2b [0,1,0,0,0,0|0,0,2]=3 112 B7R0.4 CC(C)CNCC=O e2e655e4d2528bc07c0e7e73f520729a [0,1,0,0,0,0|0,0,2]=3 113 B7R0.4 CC(C)COCC=O bd41a1e672abb592bd026a120b038c2b [0,1,0,0,0,0|0,0,2]=3 114 B7R0.4 CC(C)OC/C=C/Cl 91491ffbe45b122c593493ce1ec28e21 [0,1,0,0,0,0|1,0,1]=3 115 B7R0.4 CC(C)OC/C=C\Cl 1e6b64e528b3b312db8e7f5d9f5e401f [0,1,0,0,0,0|1,0,1]=3 116 B7R0.4 CC(C)OCC=CCl 05c2ee32f696ac6fe468daf78fa733c3 [0,1,0,0,0,0|1,0,1]=3 117 B7R0.4 CC(C)OCCC=O ccbf2d62dbd49bddcfe1567d50bb806b [0,1,0,0,0,0|0,0,2]=3 118 B7R0.4 CC(F)COCC=O b46e29d4101a17f157843c4bdc730f6e [0,1,0,0,0,0|1,0,2]=4 119 B7R0.4 CC(O)CCNC=O 7d16a38d54e5204f080aee8a4fea20ce [0,1,0,0,0,0|1,0,2]=4 120 B7R0.4 CC(O)CNCC=O 944b3483ce03d29e552c3844291f44b6 [0,1,0,0,0,0|1,0,2]=4 121 B7R0.4 CC(S)COCC=O 15ebcb7a251dae8d81b8432f521474d6 [0,1,0,0,0,0|1,0,2]=4 122 B7R0.4 CC=CCNC(C)C fbbab91c5c0fa912c14bc0d774686380 [0,1,0,0,0,0|1,0,1]=3 123 B7R0.4 CC=CCOC(C)C 1ffcebdd116c02bae4b2efc3a6b36695 [0,1,0,0,0,0|1,0,1]=3 124 B7R0.4 CN(C)CCNC=O f6c5ad5f38b9716c3e69f7010da88e20 [0,1,0,0,0,0|1,0,2]=4 125 B7R0.4 C[C@@H](F)COCC=O dfd322669411a585629980eb6b5be0dd [0,1,0,0,0,0|1,0,2]=4 126 B7R0.4 C[C@@H](O)CCNC=O 063b940170a2cb4a98efeca14a33a52e [0,1,0,0,0,0|1,0,2]=4 127 B7R0.4 C[C@@H](O)CNCC=O ae52f375140c99168e4849031ee267c7 [0,1,0,0,0,0|1,0,2]=4 128 B7R0.4 C[C@H](F)COCC=O 41a7eddb5d50f5c0a8a1cffec2a2d618 [0,1,0,0,0,0|1,0,2]=4 129 B7R0.4 C[C@H](O)CCNC=O cef20fefdcc1f37d90fc224277e1f868 [0,1,0,0,0,0|1,0,2]=4 130 B7R0.4 C[C@H](O)CNCC=O 58f727508ba2f4be3dc454ceda8497a8 [0,1,0,0,0,0|1,0,2]=4 131 B7R0.5 C=CCN(C)C(C)C 96de01368c533ec0e3507154958af2ed [0,1,0,0,0,0|2,0,1]=4 132 B7R0.5 CC(C)C(C)NC=O 4e819ff0160e7ed0f2ff22f1b3980c8f [0,1,0,0,0,0|1,0,1]=3 133 B7R0.5 CC(C)N(C)CC=O dce9ec45ecad4267effdc3296bdfc642 [0,1,0,0,0,0|1,0,1]=3 134 B7R0.5 CC(C)[C@@H](C)NC=O 83a0d0bfb3b7ec5a070ad221a7115b67 [0,1,0,0,0,0|1,0,1]=3 135 B7R0.5 CC(C)[C@H](C)NC=O bcc2ba4727ee5d240548f8fc29a1480b [0,1,0,0,0,0|1,0,1]=3 136 B7R0.5 CC(O)C(C)NC=O 260810e8bba0286df97574f1b44d4d22 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.6 C=C(Br)CNC(C)C c11e07a13ecc707bc58321e025560b63 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.6 C=C(Br)COC(C)C 85740d76b7c2437207f473c522fb5652 [0,1,0,0,0,0|2,0,1]=4 139 B7R0.6 C=C(C)CNC(C)C a1a7325d3d8a8203023e8236e36cdc1a [0,1,0,0,0,0|2,0,1]=4 140 B7R0.6 C=C(C)COC(C)C 1163708fe8e5f25f773925b58859ae9a [0,1,0,0,0,0|2,0,1]=4 141 B7R0.6 C=C(Cl)COC(C)C 83e9098a63a39f58f2f10cb0166f135d [0,1,0,0,0,0|2,0,1]=4 142 B7R0.6 C=C(I)COC(C)C 638d63b8c7c0ebdc1a903379afb5a44c [0,1,0,0,0,0|2,0,1]=4 143 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [0,1,0,0,0,0|1,0,1]=3 144 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [0,1,0,0,0,0|1,0,1]=3 145 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [0,1,0,0,0,0|1,0,1]=3 146 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,1,0,0,0,0|2,0,1]=4 148 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [0,1,0,0,0,0|1,0,1]=3 150 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [0,1,0,0,0,0|1,0,1]=3 151 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [0,1,0,0,0,0|1,0,1]=3 152 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [0,1,0,0,0,0|1,0,1]=3 153 B7R0.6 CC(C)OCC(=S)N 1cbdee4d5c3385daad7ba959afed69ee [0,1,0,0,0,0|1,1,1]=4 154 B7R0.6 CC(C)OCS(=O)O dcec0ddacfe27b8d3be4af6ba949ffc8 [0,1,0,0,0,0|2,0,1]=4 155 B7R0.6 CC(C)OC[N+](=O)[O-] a09a83c915051312c8a631b9d400a750 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.8 C=CCNC(C)(C)C 6c0b812000d6c6a48de43a4a3f837f6a [0,1,0,0,0,0|2,0,1]=4 157 B7R0.8 CC(C)(C)CNC=O 62263fecd6dfd3bbe3846c082198510b [0,1,0,0,0,0|1,0,1]=3 158 B7R0.8 CC(C)(C)NCC=O 84f91e0185bc7a8cbf173006cc00a31e [0,1,0,0,0,0|1,0,1]=3 159 B7R0.8 CC(C)(O)CNC=O 342a9b6d29541cfeadb382656f3815a5 [0,1,0,0,0,0|1,0,1]=3 160 B7R0.8 CC(F)(F)CNC=O 98b7d4b4560412215082fc8ac3d2ca18 [0,1,0,0,0,0|2,0,1]=4 161 B7R1.5 CC1CC1NC=O 11d2e4098455fa895a61be5d2e846089 [0,0,0,1,0,0|1,0,1]=3 162 B7R1.7 C=CCNC1CC1 3f9b6ba489361afb59ec73915e7e75b8 [0,0,0,1,0,0|2,0,1]=4 163 B7R1.7 C=CCOC1CC1 e9d2d1f50ca09419f38c26ddd9fe852c [0,0,0,1,0,0|2,0,1]=4 164 B7R1.7 O=CCNC1CC1 96e340af7b360f214201a5a3c0a006d0 [0,0,0,1,0,0|1,0,1]=3 165 B7R1.7 O=CCOC1CC1 147e3a4ed8a55c478f33e39a4b8c183b [0,0,0,1,0,0|1,0,1]=3 166 B7R1.7 O=CNCC1CC1 d46f669abbd5c66800b3b497373db92a [0,0,0,1,0,0|1,0,1]=3 167 B7R1.10 O=CN1CC(C1)F 10673579aa5b90bc9fa1305ce11b0f6e [0,0,0,1,0,0|2,0,1]=4 168 B7R1.10 O=CN1CC(C1)O c56a5fb25f079a78b4196509b3241e16 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.23 CC1(CN1C=O)C 554667b638ac8d632390465d91f13ad0 [0,0,0,1,0,0|1,0,1]=3 170 B6R0.1 C#CC(C)NC=O 50c944dc0c2f52246cf2f8b75f249da5 [1,1,0,0,0,0|1,0,1]=4 171 B6R0.1 C#C[C@@H](C)NC=O 4fee702505a1fdefb270b5b6e9eb7aa3 [1,1,0,0,0,0|1,0,1]=4 172 B6R0.1 C#C[C@H](C)NC=O 55f7e717dc246fc1c154a9332387447d [1,1,0,0,0,0|1,0,1]=4 173 B6R0.1 C=CC(C)NC=O ea3bd8a0f1437d84f5ea96318c16e9bd [1,1,0,0,0,0|1,0,1]=4 174 B6R0.1 C=CCN(C)CC 66590de6b708bb2b2b2945a656dd0b8f [1,1,0,0,0,0|1,0,1]=4 175 B6R0.1 C=CCN(C)CF 7e02e3a96da7141f47b832fca75c32a8 [1,1,0,0,0,0|1,0,1]=4 176 B6R0.1 C=CCN(C)CO e638b434bf874996eb81f2689695f38f [1,1,0,0,0,0|1,0,1]=4 177 B6R0.1 CC(C#N)NC=O bab971dbe2c7155864d30c197f73349b [1,1,0,0,0,0|1,0,1]=4 178 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [1,1,0,0,0,0|1,0,0]=3 180 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [1,1,0,0,0,0|1,0,1]=4 181 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [1,1,0,0,0,0|1,0,0]=3 182 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [1,1,0,0,0,0|1,0,0]=3 183 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [1,1,0,0,0,0|1,0,0]=3 184 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [1,1,0,0,0,0|1,0,0]=3 185 B6R0.3 CC(C)N(C)C=O ed819c6af0078a1de69f07f4fd8d9ee5 [1,1,0,0,0,0|1,0,0]=3 186 B6R0.5 CC(C)(C)NC=O fd731f01e449e88bdf1e84dfcee6c8d2 [1,1,0,0,0,0|1,0,0]=3 187 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [1,1,0,0,0,0|1,0,1]=4 188 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [1,1,0,0,0,0|1,0,1]=4 189 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [1,1,0,0,0,0|0,0,2]=4 190 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [1,1,0,0,0,0|1,0,1]=4 191 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [1,1,0,0,0,0|0,0,2]=4 193 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [1,1,0,0,0,0|0,0,2]=4 194 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [1,1,0,0,0,0|0,0,2]=4 195 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [1,1,0,0,0,0|1,0,1]=4 196 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [1,1,0,0,0,0|1,0,1]=4 197 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,1,0,0,0,0|0,0,2]=4 198 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [1,1,0,0,0,0|1,0,1]=4 199 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [1,1,0,0,0,0|1,0,1]=4 200 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [1,1,0,0,0,0|1,0,1]=4 201 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [1,1,0,0,0,0|1,0,1]=4 203 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [1,1,0,0,0,0|1,0,1]=4 204 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [1,1,0,0,0,0|1,0,1]=4 206 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [1,1,0,0,0,0|1,0,1]=4 207 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [1,1,0,0,0,0|1,0,1]=4 208 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [1,1,0,0,0,0|1,0,1]=4 209 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [1,1,0,0,0,0|1,0,1]=4 210 B8R0.2 C=CC(=O)N(C)C(C)C d4214d2e7c39dcf84b3e0ccce4689c6e [0,2,0,0,0,0|2,0,0]=4 211 B8R0.2 CC(C)C(C)N(C)C=O e32ec4d609cdef72cf76408a73ca2025 [0,2,0,0,0,0|1,0,1]=4 212 B8R0.2 CC(C)N(C)C(=O)C=O f20e6cf29c8294a4acacc246f7b2680e [0,2,0,0,0,0|1,0,0]=3 213 B8R0.2 CC(C)N(C)C(C)C=O 6091c0646cdd48898f061f959a54ba41 [0,2,0,0,0,0|1,0,1]=4 214 B8R0.2 CC(C)N(C)[C@H](C)C=O 9010d617425c4bead345c819dc81d90d [0,2,0,0,0,0|1,0,1]=4 215 B8R0.5 C/C=C/C(C)OC(C)C 3fc3b71e5112498c32ab71ebfb48689d [0,2,0,0,0,0|1,0,1]=4 216 B8R0.5 CC(C)CC(C)NC=O e933238982de5f0216c89e274f51b483 [0,2,0,0,0,0|0,0,2]=4 217 B8R0.5 CC(C)CN(C)CC=O 59dafc928f01f7d2bba86fd3699f3b41 [0,2,0,0,0,0|0,0,2]=4 218 B8R0.5 CC=CC(C)OC(C)C 4d526ed4c4791e35f130177176885572 [0,2,0,0,0,0|1,0,1]=4 219 B8R0.16 CC(C)OC(C#N)C=O 14629297839c764f09b02a43b9ebaa87 [0,2,0,0,0,0|1,0,1]=4 220 B8R0.16 CC(C)OC(C=O)C=O ceafe81ca60845824e70266decf07fc1 [0,2,0,0,0,0|1,0,1]=4 221 B8R0.16 CCC(C=O)OC(C)C 64971e54da0bc5dd8c61368ff4482427 [0,2,0,0,0,0|1,0,1]=4 222 B8R0.16 CCN(C=O)CC(C)C a0d4f7e2b09765b708dd4f00ebe2d340 [0,2,0,0,0,0|1,0,1]=4 223 B8R0.19 C#CC(C)NC(=O)C=O d0c73c46d1492db114e2e4554dd2e2f4 [0,2,0,0,0,0|1,0,1]=4 224 B8R0.19 C#CC(C)OC(=C)C=O 72ff59a7b8bf041862425e6ee1e157bf [0,2,0,0,0,0|1,0,1]=4 225 B8R0.19 C#C[C@@H](C)NC(=O)C=O fb97354d9aefdf1603d658282b2b841e [0,2,0,0,0,0|1,0,1]=4 226 B8R0.19 C#C[C@H](C)NC(=O)C=O 8b3a92cea3c93d40d35832a65ba42b1d [0,2,0,0,0,0|1,0,1]=4 227 B8R0.19 C=C(C=O)OC(C)C#N ae3fd085eaad5d67f89cbb0689252127 [0,2,0,0,0,0|1,0,1]=4 228 B8R0.19 C=C(C=O)OC(C)C=O 6e9083411ab06f5ff102a1878674aff6 [0,2,0,0,0,0|1,0,1]=4 229 B8R0.19 C=C(C=O)OC(C)CC c5f7d9036a8fdea0d25979e46bb39add [0,2,0,0,0,0|1,0,0]=3 230 B8R0.19 C=C(C=O)O[C@H](C)C=O 3fdae7cafda354e38a1eb1ee59854785 [0,2,0,0,0,0|1,0,1]=4 231 B8R0.19 C=CC(=O)NC(C)CC 618b63daf38e12edf0af1cf418a0bd56 [0,2,0,0,0,0|2,0,0]=4 232 B8R0.19 C=CC(=O)NC(C)CO 7d704e5b0d02912153bbac9ab1524b4a [0,2,0,0,0,0|2,0,0]=4 233 B8R0.19 C=CC(=O)N[C@@H](C)CC a3ffc6e9f98d3fec0068c30de1c1aa9d [0,2,0,0,0,0|2,0,0]=4 234 B8R0.19 C=CC(=O)N[C@@H](C)CO d3eebdfcf0b68fe67805ed6261019c02 [0,2,0,0,0,0|2,0,0]=4 235 B8R0.19 C=CC(=O)N[C@H](C)CC 7381476a5c4cd38996f0fa157a298c50 [0,2,0,0,0,0|2,0,0]=4 236 B8R0.19 C=CC(=O)N[C@H](C)CO b32e46cc4855adf1cdc7b98fc72ab8f3 [0,2,0,0,0,0|2,0,0]=4 237 B8R0.19 C=CC(C)NC(=O)C=O 45ae257bc0e5bd779342b8ebfaf2fc32 [0,2,0,0,0,0|1,0,1]=4 238 B8R0.19 C=CC(C)OC(=C)C=O 8c192ba855365988a6d73bd92d3bddfc [0,2,0,0,0,0|1,0,1]=4 239 B8R0.19 CC(C#N)NC(=O)C=O 489010611344ae418a900b4290d0bf31 [0,2,0,0,0,0|1,0,1]=4 240 B8R0.19 CC(C=O)NC(C)CO 33e7f07b39146db1e5a0ba16f083ffe9 [0,2,0,0,0,0|1,0,1]=4 241 B8R0.19 CC(C=O)N[C@@H](C)CO b551d034652d5a0aade3db27ae92c027 [0,2,0,0,0,0|1,0,1]=4 242 B8R0.19 CC(C=O)N[C@H](C)CO d056900d3448704df85098fe9630c446 [0,2,0,0,0,0|1,0,1]=4 243 B8R0.19 CC(C=O)OC(C)CF dd1260e813ad128cb1339d09b832705a [0,2,0,0,0,0|1,0,1]=4 244 B8R0.19 CC(C=O)OC(C)CS 773a75b997229db7d6efcc42b9c60d2d [0,2,0,0,0,0|1,0,1]=4 245 B8R0.19 CC(C=O)O[C@H](C)CS db7e1cf4f367eba88f034becbe252a6b [0,2,0,0,0,0|1,0,1]=4 246 B8R0.19 CC(CF)O[C@H](C)C=O dff28bb67fd8d3181563ff4952bada48 [0,2,0,0,0,0|1,0,1]=4 247 B8R0.19 CC(CO)CN(C)C=O 1651f97b326ac36e19f9ffe26a720260 [0,2,0,0,0,0|1,0,1]=4 248 B8R0.19 CC(CO)NC(=O)C=O 1c60e6f2c21701253617f70f64f6f106 [0,2,0,0,0,0|1,0,0]=3 249 B8R0.19 CC(CO)N[C@H](C)C=O f1fdc52cb9f42032fc71654c1bb8453d [0,2,0,0,0,0|1,0,1]=4 250 B8R0.19 CC(CS)O[C@H](C)C=O 318a2971080d0243ebb32baf94adf9fb [0,2,0,0,0,0|1,0,1]=4 251 B8R0.19 CCC(C)NC(=O)C=O d87e951102d767f8f5aa3b902ef92349 [0,2,0,0,0,0|1,0,0]=3 252 B8R0.19 CCC(C)NC(C)C=O 610b4a8ffb3807f31c76d2eb3d0b9780 [0,2,0,0,0,0|1,0,1]=4 253 B8R0.19 CCC(C)N[C@H](C)C=O bcb94071dd29361c15a01b7c88596d57 [0,2,0,0,0,0|1,0,1]=4 254 B8R0.19 CCC(C)OC(C)C=O eff298f26322e5014e51cb58e37ec95a [0,2,0,0,0,0|1,0,1]=4 255 B8R0.19 CCC(C)O[C@H](C)C=O 8b0db61f6f95e4e0ee500a8429036305 [0,2,0,0,0,0|1,0,1]=4 256 B8R0.19 CC[C@@H](C)NC(=O)C=O 21ac8ac32e78a362dc133e8e3bbda567 [0,2,0,0,0,0|1,0,0]=3 257 B8R0.19 CC[C@@H](C)NC(C)C=O abf2de4d64d8367bf152827fa19c8747 [0,2,0,0,0,0|1,0,1]=4 258 B8R0.19 CC[C@@H](C)N[C@H](C)C=O 3342a1648b9263897ca0c454c43aa5e6 [0,2,0,0,0,0|1,0,1]=4 259 B8R0.19 CC[C@@H](C)OC(C)C=O 665da496f78ef9cbb93bd2fbabb6c4bb [0,2,0,0,0,0|1,0,1]=4 260 B8R0.19 CC[C@@H](C)O[C@H](C)C=O 89b33ea7698450df463669e4946abea4 [0,2,0,0,0,0|1,0,1]=4 261 B8R0.19 CC[C@H](C)NC(=O)C=O e638670223a406eb6167bccd4c1dfde1 [0,2,0,0,0,0|1,0,0]=3 262 B8R0.19 CC[C@H](C)NC(C)C=O 018c527e97f5ffc308f69037c7d3a009 [0,2,0,0,0,0|1,0,1]=4 263 B8R0.19 CC[C@H](C)N[C@H](C)C=O d64bf9f3a5fe53c581afe2fb82ccfd54 [0,2,0,0,0,0|1,0,1]=4 264 B8R0.19 CC[C@H](C)OC(C)C=O 0ca2a7fbf13c00f26ded9cafaaef3a1d [0,2,0,0,0,0|1,0,1]=4 265 B8R0.19 CC[C@H](C)O[C@H](C)C=O 65f006b95602312ad77964961ea5b1e5 [0,2,0,0,0,0|1,0,1]=4 266 B8R0.19 C[C@@H](CO)NC(=O)C=O 7fc1349ef4b9354cd9836d7dba2b3f46 [0,2,0,0,0,0|1,0,0]=3 267 B8R0.19 C[C@H](C=O)N[C@@H](C)CO 6a73e6801be902d0186bda4c7101036d [0,2,0,0,0,0|1,0,1]=4 268 B8R0.19 C[C@H](C=O)N[C@H](C)CO 0187f83f0b42c2fe626fa88a206aa3ec [0,2,0,0,0,0|1,0,1]=4 269 B8R0.19 C[C@H](C=O)O[C@H](C)CS af72370034f51011307ce75fb53579bd [0,2,0,0,0,0|1,0,1]=4 270 B8R0.19 C[C@H](CO)NC(=O)C=O b148bc237154c303bdab4997b908c1ee [0,2,0,0,0,0|1,0,0]=3 271 B8R0.23 CC(=O)C(C)OC(C)C 2d86abe06727762a40b9ab2fefeb12d2 [0,2,0,0,0,0|1,0,1]=4 272 B8R0.23 CC(=O)N(C)CC(C)C 89cec52088ed29050ddede06aaad4a16 [0,2,0,0,0,0|1,0,1]=4 273 B8R0.23 CC(=O)NC(C)C(C)C 44e61c71c404e93b61e4ebb2d17acd25 [0,2,0,0,0,0|1,0,1]=4 274 B8R0.23 CC(=O)N[C@@H](C)C(C)C 020b2d58d09d222117d5a013059e1c42 [0,2,0,0,0,0|1,0,1]=4 275 B8R0.23 CC(=O)N[C@H](C)C(C)C 1a8a59449f9523fa08b3f0d029907e07 [0,2,0,0,0,0|1,0,1]=4 276 B8R0.23 CC(C)N(C)CC(=O)N 40fedc251db3e73f4c6c403ff754fd20 [0,2,0,0,0,0|1,0,1]=4 277 B8R0.23 CC(C)N(C)CC(=O)O 402f1d7c3b958af1fceb64bdcde4405c [0,2,0,0,0,0|1,0,1]=4 278 B8R0.23 CC(C)NC(C)C(=O)N a5bc7ca7b26f70e25af65a6a1a9f3a6a [0,2,0,0,0,0|1,0,1]=4 279 B8R0.23 CC(C)NC(C)C(=O)O 14fb43a096987787a4c4cfde0de411d4 [0,2,0,0,0,0|1,0,1]=4 280 B8R0.23 CC(C)NC(O)C(=O)O 9854a2bbdccc28b8651cc97fd5606c53 [0,2,0,0,0,0|1,0,1]=4 281 B8R0.23 CC(C)N[C@@H](C)C(=O)N 5f6838b5769e3be13957b346a9b1c5a9 [0,2,0,0,0,0|1,0,1]=4 282 B8R0.23 CC(C)N[C@@H](C)C(=O)O 97090174d192ee499ea4beaa2fe31161 [0,2,0,0,0,0|1,0,1]=4 283 B8R0.23 CC(C)N[C@H](C)C(=O)N 218299f571bd8ab6e55ebde7f90f3dc6 [0,2,0,0,0,0|1,0,1]=4 284 B8R0.23 CC(C)N[C@H](C)C(=O)O 1a6c2905adf438d6c173d7efe8c0cadc [0,2,0,0,0,0|1,0,1]=4 285 B8R0.23 CC(C)OC(C)C(=O)N 3cee39f49921ab19917bac674ad05970 [0,2,0,0,0,0|1,0,1]=4 286 B8R0.23 CC(C)OC(C)C(=O)O 0a58b34c739ceb5a5963c9b3548f472a [0,2,0,0,0,0|1,0,1]=4 287 B8R0.23 CC(C)OC(F)C(=O)N 4e500a655b0251a68623c9a9bac567cd [0,2,0,0,0,0|1,0,1]=4 288 B8R0.23 CC(C)O[C@@H](C)C(=O)N 57a65b88062516ea8512ca985e4b20b1 [0,2,0,0,0,0|1,0,1]=4 289 B8R0.23 CC(C)O[C@@H](C)C(=O)O 3e6aa85ab276fb2f3b41c452e067b375 [0,2,0,0,0,0|1,0,1]=4 290 B8R0.23 CC(C)O[C@H](C)C(=O)N 15e236e43a73c1d83142b60899c44aff [0,2,0,0,0,0|1,0,1]=4 291 B8R0.23 CC(C)O[C@H](C)C(=O)O 3c1a1d8dc45ffece35d6cbe571959a73 [0,2,0,0,0,0|1,0,1]=4 292 B8R0.24 C=CC(=O)NC(C)(C)C 8353e28f0dbb50f436e41440f7cc5cd3 [0,2,0,0,0,0|2,0,0]=4 293 B8R0.24 CC(C)(C)NC(=O)C=O bede45ff0da5a715803e62f9f77379fa [0,2,0,0,0,0|1,0,0]=3 294 B8R0.24 CC(C=O)NC(C)(C)C 4e09e1f1d93cfe6f0eabf26dcf02b275 [0,2,0,0,0,0|1,0,1]=4 295 B8R0.24 CN(C=O)CC(C)(C)C b86d4bfdd886ac2d0236a96b2ef1d46b [0,2,0,0,0,0|1,0,1]=4 296 B8R0.24 CN(C=O)CC(C)(C)O 564faf6da158e3f55661a2c9927b3e1c [0,2,0,0,0,0|1,0,1]=4 297 B8R0.24 C[C@H](C=O)NC(C)(C)C 55c1b8c6e4d8073c965c1049433a4c0d [0,2,0,0,0,0|1,0,1]=4 298 B8R0.1 C#CCC(C)OCC=O 6f35cb4bf7bb16a3eee8311ce03cd4d2 [0,2,0,0,0,0|1,0,1]=4 299 B8R0.1 C/C=C/C(C)OCC=O 3c462d15fec3dcb51b9371f8065dab9e [0,2,0,0,0,0|1,0,1]=4 300 B8R0.1 C=CCC(C)OCC=O 805d006448d647b16a227c84124f8a54 [0,2,0,0,0,0|1,0,1]=4 301 B8R0.1 C=CC[C@@H](C)OCC=O a0e388fab32588efe0b0ae569bdc0661 [0,2,0,0,0,0|1,0,1]=4 302 B8R0.1 C=CC[C@H](C)OCC=O b16f0951e117256fa250913579de0fe1 [0,2,0,0,0,0|1,0,1]=4 303 B8R0.1 CC#CC(C)OCC=O 0936b2d98ed4cec8bffedc9581b11964 [0,2,0,0,0,0|1,0,1]=4 304 B8R0.1 CC(CC#N)NCC=O 876ecee87e936959217fd59643b77cf7 [0,2,0,0,0,0|1,0,1]=4 305 B8R0.1 CC(CC#N)OCC=O 510ddb57839fab432176d9d3dc4d1852 [0,2,0,0,0,0|1,0,1]=4 306 B8R0.1 CC(CCO)CNC=O 494f744824d462f62341eadad29d83d3 [0,2,0,0,0,0|1,0,1]=4 307 B8R0.1 CC(CCO)NCC=O be4773d58a64f79dc63b248791979cf7 [0,2,0,0,0,0|1,0,1]=4 308 B8R0.1 CC=CC(C)OCC=O afa81202fb8927469e80733dc589551c [0,2,0,0,0,0|1,0,1]=4 309 B8R0.1 CCCC(C)NCC=O 9f1868c3f1326c5a8444197e6058548a [0,2,0,0,0,0|1,0,1]=4 310 B8R0.1 CCCC(C)OCC=O bf24684220a55c36790abbdedb1b3799 [0,2,0,0,0,0|1,0,1]=4 311 B8R0.1 CCC[C@@H](C)OCC=O 81402cca9611ddb40901d5fa2d62e285 [0,2,0,0,0,0|1,0,1]=4 312 B8R0.1 CCC[C@H](C)NCC=O 344319cad1a5cb6c553f571432cf347f [0,2,0,0,0,0|1,0,1]=4 313 B8R0.1 CCC[C@H](C)OCC=O cd3513e181af862dd8891792f8677966 [0,2,0,0,0,0|1,0,1]=4 314 B8R0.1 CCOC(C)CNC=O 6ac843f8d05ef25abe339acf9a7e85be [0,2,0,0,0,0|1,0,1]=4 315 B8R0.1 COCC(C)NCC=O 4baf3fe6a6d274e7ea1aec1466238275 [0,2,0,0,0,0|1,0,1]=4 316 B8R0.1 COCC(C)OCC=O a93d71aa3da594c97159b56ba29ff8f5 [0,2,0,0,0,0|1,0,1]=4 317 B8R0.1 COC[C@@H](C)NCC=O 4fb921a050a5f68cf2239a934ae891a7 [0,2,0,0,0,0|1,0,1]=4 318 B8R0.1 COC[C@@H](C)OCC=O e4852e42aa1f253c2a0a1f8cacf1148b [0,2,0,0,0,0|1,0,1]=4 319 B8R0.1 COC[C@H](C)NCC=O bc29ca8d06d84bc5177cf78e24d1b1b6 [0,2,0,0,0,0|1,0,1]=4 320 B8R0.1 COC[C@H](C)OCC=O e3af86d71c642a75e0e78450bc9ecd56 [0,2,0,0,0,0|1,0,1]=4 321 B8R0.1 CSCC(C)OCC=O d521716379b16767717aab19be915c57 [0,2,0,0,0,0|1,0,1]=4 322 B8R0.1 C[C@@H](CC#N)OCC=O fbb86d03e87cb409bf21e60c3df05582 [0,2,0,0,0,0|1,0,1]=4 323 B8R0.1 C[C@@H](CCO)NCC=O b740e215ba752232b945e9f7d9202d2b [0,2,0,0,0,0|1,0,1]=4 324 B8R0.1 C[C@H](CC#N)OCC=O 5dee6ecc90844b5e78d82d86547d8772 [0,2,0,0,0,0|1,0,1]=4 325 B8R0.1 C[C@H](CCO)NCC=O 8e0d0c9fecd308d7ccaf47b7123c3880 [0,2,0,0,0,0|1,0,1]=4 326 B8R0.3 C/C=C/C(=O)N(C)CC 010d03e6e98c063c8118cc9246730070 [0,2,0,0,0,0|2,0,0]=4 327 B8R0.3 CC(CO)N(C)CC=O 0f8d2e48b5ce1eda5ef71ae8a2fbea8d [0,2,0,0,0,0|1,0,1]=4 328 B8R0.3 CCC(C)C(C)NC=O 4790f87f99d2631c4d7242b87ea52752 [0,2,0,0,0,0|1,0,1]=4 329 B8R0.3 CCC(C)N(C)CC=O 842637d179d388d97d4751c027c4a536 [0,2,0,0,0,0|1,0,1]=4 330 B8R0.3 CCN(C)C(=O)/C=C/Br 8a2c0ee1f4f092dd32680d8af03a31cf [0,2,0,0,0,0|2,0,0]=4 331 B8R0.3 CCN(C)C(=O)/C=C/Cl 8cad8b9f53d7e4b28543392980c5b2fb [0,2,0,0,0,0|2,0,0]=4 332 B8R0.3 CCN(C)C(=O)/C=C/I 76361a75242790398d9b1d317d0571c1 [0,2,0,0,0,0|2,0,0]=4 333 B8R0.3 CCN(C)C(=O)/C=C\Br 5f5a610d77493f1c7d4b9ce0b6bd638e [0,2,0,0,0,0|2,0,0]=4 334 B8R0.3 CCN(C)C(=O)/C=C\Cl 513096d22e746d30344840b3c10d5f0c [0,2,0,0,0,0|2,0,0]=4 335 B8R0.3 CCN(C)C(=O)/C=C\I b8fad66af41da030744f0a439b01de76 [0,2,0,0,0,0|2,0,0]=4 336 B8R0.3 CCN(C)C(=O)C=CBr 23c21bb65f7909ccae800042910c2f8f [0,2,0,0,0,0|2,0,0]=4 337 B8R0.3 CCN(C)C(=O)C=CI 274822e56be40b2b4d454e68873b02c7 [0,2,0,0,0,0|2,0,0]=4 338 B8R0.3 CCN(C)C(=O)CC=O b54fcccc9e3ee76ebae8e137ce96a008 [0,2,0,0,0,0|1,0,1]=4 339 B8R0.3 C[C@@H](CO)N(C)CC=O 7ec30cd81e597e1bd2a1af4676ffad1f [0,2,0,0,0,0|1,0,1]=4 340 B8R0.3 C[C@H](CO)N(C)CC=O 549d4707c245d0d43b050d1c44958445 [0,2,0,0,0,0|1,0,1]=4 341 B8R0.6 C/C=C/CNC(C)CC 2f535abc28ee7f3cab8c7972351408f4 [0,2,0,0,0,0|1,0,1]=4 342 B8R0.6 C/C=C/CNC(C)CO bba8dbf0fee5054bf9ab54d443af80dc [0,2,0,0,0,0|1,0,1]=4 343 B8R0.6 C/C=C/CN[C@@H](C)CC b58e2f858cb751b98ede7a901acea099 [0,2,0,0,0,0|1,0,1]=4 344 B8R0.6 C/C=C/CN[C@@H](C)CO 4127afd17a311c964f405e8372c6f0d4 [0,2,0,0,0,0|1,0,1]=4 345 B8R0.6 C/C=C/CN[C@H](C)CC 7387329309fa520abe5aa0a87b2bf959 [0,2,0,0,0,0|1,0,1]=4 346 B8R0.6 C/C=C/CN[C@H](C)CO c540cc85f7406a345f35ef9a77d2db27 [0,2,0,0,0,0|1,0,1]=4 347 B8R0.6 C/C=C/COC(C)CC 2c3616d32d17e7eb4e788e5738c8dc04 [0,2,0,0,0,0|1,0,1]=4 348 B8R0.6 C/C=C/COC(C)CF b1b461a44ba6aff70e0664d16eedb48f [0,2,0,0,0,0|1,0,1]=4 349 B8R0.6 C/C=C/COC(C)CS a2ce767468eba74662c06fe1f5b419f5 [0,2,0,0,0,0|1,0,1]=4 350 B8R0.6 C/C=C/CO[C@@H](C)CC 522e3c2ba2b761839a7a2dca4352293b [0,2,0,0,0,0|1,0,1]=4 351 B8R0.6 C/C=C/CO[C@H](C)CC 6e608186b48520ff54a704c9b9c244cd [0,2,0,0,0,0|1,0,1]=4 352 B8R0.6 C/C=C/CO[C@H](C)CS c5bfe82be97bccb069634e6b489c7ab2 [0,2,0,0,0,0|1,0,1]=4 353 B8R0.6 C/C=C\CNC(C)CC 69ee21beee787232cb51df62e6b214aa [0,2,0,0,0,0|1,0,1]=4 354 B8R0.6 C/C=C\CNC(C)CO 75d7903a04f50834b603e948e13b7d46 [0,2,0,0,0,0|1,0,1]=4 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[0,2,0,0,0,0|1,0,1]=4 367 B8R0.6 CC(CF)OCCC=O b17ff84b04efc05e93964ee25e1ae59e [0,2,0,0,0,0|0,0,2]=4 368 B8R0.6 CC(CO)CCNC=O 39cb296f33f08cf60badb1105cd0e264 [0,2,0,0,0,0|0,0,2]=4 369 B8R0.6 CC(CO)CNCC=O 18b721b702015f9166f9e0a533c4ee44 [0,2,0,0,0,0|0,0,2]=4 370 B8R0.6 CC(CO)NC/C=C/Cl e85c6cba55fbc32e807e13a185514fde [0,2,0,0,0,0|1,0,1]=4 371 B8R0.6 CC(CO)NC/C=C\Cl fd86317c147f43b78fe3b36a88b5c105 [0,2,0,0,0,0|1,0,1]=4 372 B8R0.6 CC(CO)NC/C=C\O 863bde8c36bfb83c6f68a59b71383ce3 [0,2,0,0,0,0|0,0,2]=4 373 B8R0.6 CC(CO)NCCC=O 2a49eedaae162f27c224c004e49e642c [0,2,0,0,0,0|0,0,2]=4 374 B8R0.6 CC(CS)OC/C=C/Cl 21ff2527d1fc0c1009268913472df21c [0,2,0,0,0,0|1,0,1]=4 375 B8R0.6 CC(CS)OC/C=C\Cl a0f61f694034f643867f497e044785e4 [0,2,0,0,0,0|1,0,1]=4 376 B8R0.6 CC(CS)OCCC=O b15e712b3203e46c10248532ab426545 [0,2,0,0,0,0|0,0,2]=4 377 B8R0.6 CC=CCNC(C)CC f9cefac49ef4449ba822519139889b26 [0,2,0,0,0,0|1,0,1]=4 378 B8R0.6 CC=CCNC(C)CO 62b395f84f12504c6319a268077bb022 [0,2,0,0,0,0|1,0,1]=4 379 B8R0.6 CC=CCN[C@@H](C)CO 86a56294cce9491c91b550c6e8d06d0a [0,2,0,0,0,0|1,0,1]=4 380 B8R0.6 CC=CCN[C@H](C)CO e0fbc90cdd92c5e39134da5764e5dd8a [0,2,0,0,0,0|1,0,1]=4 381 B8R0.6 CC=CCOC(C)CC 462ecd62704a4aa668833628374dcdbd [0,2,0,0,0,0|1,0,1]=4 382 B8R0.6 CCC(C)CCNC=O 558581aaa032d77ec9625244f37a5ff2 [0,2,0,0,0,0|0,0,2]=4 383 B8R0.6 CCC(C)CNCC=O d00b0f81a0565e49d0bc6374b24732a9 [0,2,0,0,0,0|0,0,2]=4 384 B8R0.6 CCC(C)COCC=O aceccf78c40e809dde74393b828702d0 [0,2,0,0,0,0|0,0,2]=4 385 B8R0.6 CCC(C)NC/C=C/Cl 467cbcd280b08dfba642a757638807ad [0,2,0,0,0,0|1,0,1]=4 386 B8R0.6 CCC(C)NC/C=C\Cl eee0606f9adf032697943eb923b2835e [0,2,0,0,0,0|1,0,1]=4 387 B8R0.6 CCC(C)NC/C=C\O 818543bea0e96b4a0313764957053b41 [0,2,0,0,0,0|0,0,2]=4 388 B8R0.6 CCC(C)NCCC=O 315da1f228cd97e2635c09e3abdec4cc [0,2,0,0,0,0|0,0,2]=4 389 B8R0.6 CCC(C)OC/C=C/Cl 7289fd99765e7cf161b51f997847bf49 [0,2,0,0,0,0|1,0,1]=4 390 B8R0.6 CCC(C)OC/C=C\Cl 782b1df74804c15e4908554a5b09dc5f [0,2,0,0,0,0|1,0,1]=4 391 B8R0.6 CCC(C)OCC=CCl ef19df0abf0cca1b7fd475828cd20aba [0,2,0,0,0,0|1,0,1]=4 392 B8R0.6 CCC(C)OCCC=O f072f162ee9d24e1b36d781e9499869c [0,2,0,0,0,0|0,0,2]=4 393 B8R0.6 CC[C@@H](C)COCC=O c20d93b7abbfab6c6470d540cd7a9908 [0,2,0,0,0,0|0,0,2]=4 394 B8R0.6 CC[C@@H](C)NC/C=C/Cl 451353c431eb7a93abed8e53bc2b123c [0,2,0,0,0,0|1,0,1]=4 395 B8R0.6 CC[C@@H](C)NC/C=C\Cl b620ea9b070f06613fbae731992fe0d2 [0,2,0,0,0,0|1,0,1]=4 396 B8R0.6 CC[C@@H](C)NC/C=C\O b3c906b4f962e4324ee0f2eb29040690 [0,2,0,0,0,0|0,0,2]=4 397 B8R0.6 CC[C@@H](C)NCCC=O 7e1102ccaaec525d37867fc7a78c5909 [0,2,0,0,0,0|0,0,2]=4 398 B8R0.6 CC[C@@H](C)OC/C=C/Cl c34364513c04e8915ef6c131e4f06a8c [0,2,0,0,0,0|1,0,1]=4 399 B8R0.6 CC[C@@H](C)OC/C=C\Cl 99964f3d7dd6d863219720dba22e4d9f [0,2,0,0,0,0|1,0,1]=4 400 B8R0.6 CC[C@@H](C)OCCC=O 368bcae871eba79a6fc9cfc4628ca9f3 [0,2,0,0,0,0|0,0,2]=4 401 B8R0.6 CC[C@H](C)CNCC=O 2b0760fdc9935c799222d1a5925541c3 [0,2,0,0,0,0|0,0,2]=4 402 B8R0.6 CC[C@H](C)COCC=O 96abd8316d02f524642d5d119877059b [0,2,0,0,0,0|0,0,2]=4 403 B8R0.6 CC[C@H](C)NC/C=C/Cl 492df1ac73249588a03c66c2511ceb2e [0,2,0,0,0,0|1,0,1]=4 404 B8R0.6 CC[C@H](C)NC/C=C\Cl 22dce979b1ae8d3c91df23f8a60d217a [0,2,0,0,0,0|1,0,1]=4 405 B8R0.6 CC[C@H](C)NC/C=C\O fba44c9072095af513e500375848defd [0,2,0,0,0,0|0,0,2]=4 406 B8R0.6 CC[C@H](C)NCCC=O a962ffc26cc849df8f10ed5a3a3f3407 [0,2,0,0,0,0|0,0,2]=4 407 B8R0.6 CC[C@H](C)OC/C=C/Cl 7bdd53a35156cd2801ddedbeb48a16cf [0,2,0,0,0,0|1,0,1]=4 408 B8R0.6 CC[C@H](C)OC/C=C\Cl 54ad37e3a2338523611e2faf3cc73677 [0,2,0,0,0,0|1,0,1]=4 409 B8R0.6 CC[C@H](C)OCCC=O 663f558856e5f356903f7f6932db0707 [0,2,0,0,0,0|0,0,2]=4 410 B8R0.6 COC(C)COCC=O d60b36a618df9b4241244f9566ecdc5f [0,2,0,0,0,0|0,0,2]=4 411 B8R0.6 CO[C@@H](C)CNCC=O 2b4a7e30da32bc7234bd11589f11e153 [0,2,0,0,0,0|0,0,2]=4 412 B8R0.6 CO[C@@H](C)COCC=O 07ee3a6b4ceb80665f98c8f198456fc5 [0,2,0,0,0,0|0,0,2]=4 413 B8R0.6 CO[C@H](C)CNCC=O 7ca0dc6a01650113664fa48ed0e0ea51 [0,2,0,0,0,0|0,0,2]=4 414 B8R0.6 CO[C@H](C)COCC=O 8da8ed3e6726a83c5f05e475965abd23 [0,2,0,0,0,0|0,0,2]=4 415 B8R0.6 C[C@@H](CO)CCNC=O 3feffe28caaaf0dbda7fb0990299be3b [0,2,0,0,0,0|0,0,2]=4 416 B8R0.6 C[C@@H](CO)NC/C=C/Cl 18266e3f8125c21ff15d4646d32ceca9 [0,2,0,0,0,0|1,0,1]=4 417 B8R0.6 C[C@@H](CO)NC/C=C\Cl e58fa946d137a236777901c680b55fa3 [0,2,0,0,0,0|1,0,1]=4 418 B8R0.6 C[C@@H](CO)NC/C=C\O 45a094bc2921ed0e2e1cbf733c7b806b [0,2,0,0,0,0|0,0,2]=4 419 B8R0.6 C[C@@H](CO)NCCC=O 608fd81196e1155374938b5ce9be9d11 [0,2,0,0,0,0|0,0,2]=4 420 B8R0.6 C[C@H](CO)CNCC=O ce3576180443b7d133df7f39370d8756 [0,2,0,0,0,0|0,0,2]=4 421 B8R0.6 C[C@H](CO)NC/C=C/Cl f769a7790d41f892a7160723e4cdf075 [0,2,0,0,0,0|1,0,1]=4 422 B8R0.6 C[C@H](CO)NC/C=C\Cl 0f7256acb9b32911cb351a4b2e77adff [0,2,0,0,0,0|1,0,1]=4 423 B8R0.6 C[C@H](CO)NC/C=C\O 749ce7ab9bd716be17b43d12111daef8 [0,2,0,0,0,0|0,0,2]=4 424 B8R0.6 C[C@H](CO)NCCC=O c6b2b9a5a05147f280b25371b2bca5f0 [0,2,0,0,0,0|0,0,2]=4 425 B8R0.6 C[C@H](CS)OC/C=C/Cl c07df0fdeeb435212c104cf2f7c98290 [0,2,0,0,0,0|1,0,1]=4 426 B8R0.6 C[C@H](CS)OC/C=C\Cl 3809d06ac7d5a1c793d8f78338b9fe89 [0,2,0,0,0,0|1,0,1]=4 427 B8R0.6 C[C@H](CS)OCCC=O 59b0d090dd51e3a701804a923bcfc9bf [0,2,0,0,0,0|0,0,2]=4 428 B8R0.8 C/C=C/CN(C)C(C)C 2bb308d34e30cc49d2edd13525204beb [0,2,0,0,0,0|1,0,1]=4 429 B8R0.8 C/C=C\CN(C)C(C)C 7e500f4a90394f9cc2d51b2c3b5cc024 [0,2,0,0,0,0|1,0,1]=4 430 B8R0.8 CC(=O)C(C)OCC=O b74e7c61b80a0c717901ca8c420abcfa [0,2,0,0,0,0|1,0,1]=4 431 B8R0.8 CC(C)C(C)NCC=O 7480596882376427695ab906c9a7bfb0 [0,2,0,0,0,0|0,0,2]=4 432 B8R0.8 CC(C)C(C)OCC=O ce23aaf71e4025cbdc74369cbf39ec61 [0,2,0,0,0,0|0,0,2]=4 433 B8R0.8 CC(C)C(O)CNC=O 60e39351432db3e8d29156b9b9cbfea4 [0,2,0,0,0,0|0,0,2]=4 434 B8R0.8 CC(C)N(C)C/C=C/Cl b59521de849d788c85bcd4b8157ea6be [0,2,0,0,0,0|1,0,1]=4 435 B8R0.8 CC(C)N(C)C/C=C\Cl 87da491df29a6af585564d5cb9b03e3e [0,2,0,0,0,0|1,0,1]=4 436 B8R0.8 CC(C)N(C)C/C=C\O 83c8cd39f1868355787bb5fcf1d70530 [0,2,0,0,0,0|0,0,2]=4 437 B8R0.8 CC(C)N(C)CCC=O 35a1a35e01b1c9ac6c32f45a18f937cb [0,2,0,0,0,0|0,0,2]=4 438 B8R0.8 CC(C)[C@@H](C)NCC=O fe4cca6e9187eefae56d7c7e9b333cad [0,2,0,0,0,0|0,0,2]=4 439 B8R0.8 CC(C)[C@@H](C)OCC=O 8cb7fc9ac2c6caf3bd0148655550849f [0,2,0,0,0,0|0,0,2]=4 440 B8R0.8 CC(C)[C@H](C)NCC=O b91fe17b3c92a1482d1cf7254f00a408 [0,2,0,0,0,0|0,0,2]=4 441 B8R0.8 CC(C)[C@H](C)OCC=O 42c325ee3d5f7ae3be802a85dcd7d5a5 [0,2,0,0,0,0|0,0,2]=4 442 B8R0.8 CC(CNC=O)N(C)C cf5b00de5b0d05aaa1417f75408e48c9 [0,2,0,0,0,0|1,0,1]=4 443 B8R0.8 CC(O)C(C)NCC=O e305fe128f0a78b8ad0315156373b87a [0,2,0,0,0,0|1,0,1]=4 444 B8R0.8 CC(OCC=O)C(F)F 96df0d90261e56278cc976d2fd1f5510 [0,2,0,0,0,0|1,0,1]=4 445 B8R0.8 CC(S)C(C)OCC=O be24c910a021f9f13deb5a032f14acad [0,2,0,0,0,0|1,0,1]=4 446 B8R0.8 CN(C)C(=O)CNC=O cd12a8c3ee28c6d34fc08d6da8286e97 [0,2,0,0,0,0|1,0,1]=4 447 B8R0.8 C[C@@H](NCC=O)C(F)F 5b83fbef2175df087031568a6881ac11 [0,2,0,0,0,0|1,0,1]=4 448 B8R0.8 C[C@H](NCC=O)C(F)F 9da8a7a8d3c80cb640858b67518f4125 [0,2,0,0,0,0|1,0,1]=4 449 B8R0.9 C#CC(=O)NCC(C)C 1b59405d1466ebf3ed688b4fa128ca83 [0,2,0,0,0,0|1,0,1]=4 450 B8R0.9 C/C(=C\I)/COC(C)C f716be383319fbdddc5fe6a0c6ba24d8 [0,2,0,0,0,0|1,0,1]=4 451 B8R0.9 C=C(C=O)OCC(C)C c5cdf695798fe36105735778dae3c7a0 [0,2,0,0,0,0|0,0,1]=3 452 B8R0.9 C=C(C=O)OCN(C)C 8f1b31b2204f757194c668fd22936588 [0,2,0,0,0,0|1,0,1]=4 453 B8R0.9 C=CC(=O)NCC(C)C 9fff6936d747446fa6c6ac1bd8338bdd [0,2,0,0,0,0|1,0,1]=4 454 B8R0.9 CC(=CI)COC(C)C 3ff8a12ae361c0854728a2bce17c2863 [0,2,0,0,0,0|1,0,1]=4 455 B8R0.9 CC(=O)CNC(C)CO 7f456ce2665c50a288606a55fcadb654 [0,2,0,0,0,0|1,0,1]=4 456 B8R0.9 CC(=O)CN[C@@H](C)CO 3490504cc82c16f891707783a3f5d03b [0,2,0,0,0,0|1,0,1]=4 457 B8R0.9 CC(=O)CN[C@H](C)CO b856683376ccfcef5ca680b8cb827c55 [0,2,0,0,0,0|1,0,1]=4 458 B8R0.9 CC(=O)NCC(C)CO 5107eece73873b4763584dc1449ad61c [0,2,0,0,0,0|1,0,1]=4 459 B8R0.9 CC(=O)NC[C@H](C)CO 5409bde0c2b60b9f7b568586e701b259 [0,2,0,0,0,0|1,0,1]=4 460 B8R0.9 CC(C)CCN(C)C=O 516a2a022cb88171d447755eeb173861 [0,2,0,0,0,0|0,0,2]=4 461 B8R0.9 CC(C)CNC(=O)C=O b40cc57029845c8997b7aa8efc245b60 [0,2,0,0,0,0|0,0,1]=3 462 B8R0.9 CC(C)CNC(=O)CF 9eb01591588fc3f21824d07c6994c4ce [0,2,0,0,0,0|1,0,1]=4 463 B8R0.9 CC(C)CNC(=O)CO 748dd4a1556e9d036080c13c38338fdb [0,2,0,0,0,0|1,0,1]=4 464 B8R0.9 CC(C)CNC(=O)CS 24a37322ef0bc9a4c645dfd16fd4ed0f [0,2,0,0,0,0|1,0,1]=4 465 B8R0.9 CC(C)CNC(C)C=O 03449348422393b4e0bdd254036a8d58 [0,2,0,0,0,0|0,0,2]=4 466 B8R0.9 CC(C)CN[C@H](C)C=O 7c782c131d4d366690f182c8ead9a413 [0,2,0,0,0,0|0,0,2]=4 467 B8R0.9 CC(C)COC(C)C=O 0b8c6cf115c2322fa1674f79e1d3c4dd [0,2,0,0,0,0|0,0,2]=4 468 B8R0.9 CC(C)CO[C@H](C)C=O 5c45a366049badd5e36b154ae522c338 [0,2,0,0,0,0|0,0,2]=4 469 B8R0.9 CC(C)NCC(=O)NO d714842a0c42249cabffc4dfd5ab50bd [0,2,0,0,0,0|1,0,1]=4 470 B8R0.9 CC(C)OC/C(=C/Cl)/Cl 517384b2245fa09e14e9ca494cc154a8 [0,2,0,0,0,0|1,0,1]=4 471 B8R0.9 CC(CF)OCC(=O)N 85ec4187286fdad5a9553ca5e7cee35f [0,2,0,0,0,0|1,0,1]=4 472 B8R0.9 CC(CF)OCC(=O)O 72064f294e73f6a982bc7e430390395e [0,2,0,0,0,0|1,0,1]=4 473 B8R0.9 CC(CO)NCC(=O)N ca275a4ad15d32e500ba974468999137 [0,2,0,0,0,0|1,0,1]=4 474 B8R0.9 CC(CO)NCC(=O)O 3fa1442f69c9dfa3ad5830b54dce922d [0,2,0,0,0,0|1,0,1]=4 475 B8R0.9 CC(CS)OCC(=O)N b11e299a771877421c46b123080a3ea9 [0,2,0,0,0,0|1,0,1]=4 476 B8R0.9 CC(CS)OCC(=O)O 6f586a0cfc007fa60414bad735acd25c [0,2,0,0,0,0|1,0,1]=4 477 B8R0.9 CC(O)CNC(=O)C=O a19c80ebbd3c5b0340f36c5c68b9e508 [0,2,0,0,0,0|1,0,1]=4 478 B8R0.9 CCC(=O)COC(C)C 5c8d297b0416149f24332452b8f0f1e3 [0,2,0,0,0,0|1,0,1]=4 479 B8R0.9 CCC(=O)NCC(C)C 80d4e4c057e6f7b9eae8a2bfacaea014 [0,2,0,0,0,0|1,0,1]=4 480 B8R0.9 CCC(C)CNC(=O)C aa3f1455f544ac3656d43724f45ee4b6 [0,2,0,0,0,0|1,0,1]=4 481 B8R0.9 CCC(C)NCC(=O)C 6436401da3e43365ad6648f7d16996be [0,2,0,0,0,0|1,0,1]=4 482 B8R0.9 CCC(C)NCC(=O)N 000867cd72bf7abf807440f1d3bec59b [0,2,0,0,0,0|1,0,1]=4 483 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,2,0,0,0,0|1,0,1]=4 484 B8R0.9 CCC(C)OCC(=O)C 51585707b16cf92a5a0e33fe644c9725 [0,2,0,0,0,0|1,0,1]=4 485 B8R0.9 CCC(C)OCC(=O)N 1b913184d403fb69b64ed9e9c743a425 [0,2,0,0,0,0|1,0,1]=4 486 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,2,0,0,0,0|1,0,1]=4 487 B8R0.9 CC[C@@H](C)NCC(=O)N 00c2922a9a0e085fef41a6936ba22077 [0,2,0,0,0,0|1,0,1]=4 488 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,2,0,0,0,0|1,0,1]=4 489 B8R0.9 CC[C@@H](C)OCC(=O)N 177a1fefad08e7123933fff20860c103 [0,2,0,0,0,0|1,0,1]=4 490 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,2,0,0,0,0|1,0,1]=4 491 B8R0.9 CC[C@H](C)CNC(=O)C 7308e3222c110d542936eb43984d990d [0,2,0,0,0,0|1,0,1]=4 492 B8R0.9 CC[C@H](C)NCC(=O)N f4cbd027635400a1bd56158094969969 [0,2,0,0,0,0|1,0,1]=4 493 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,2,0,0,0,0|1,0,1]=4 494 B8R0.9 CC[C@H](C)OCC(=O)N a50cd0f8b1faba93c04bb41f0f47043f [0,2,0,0,0,0|1,0,1]=4 495 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,2,0,0,0,0|1,0,1]=4 496 B8R0.9 CNC(=O)CNC(C)C 566e2c52ea2eed119c48dda13ee7cd22 [0,2,0,0,0,0|1,0,1]=4 497 B8R0.9 CNC(=O)COC(C)C ac98fb8d262335081328b24dd3b587d1 [0,2,0,0,0,0|1,0,1]=4 498 B8R0.9 COC(=O)CNC(C)C c3733748a55be9c482138184ed5baa45 [0,2,0,0,0,0|1,0,1]=4 499 B8R0.9 COC(=O)COC(C)C 532fce5a880346bf56d52549b85157a8 [0,2,0,0,0,0|1,0,1]=4 500 B8R0.9 CO[C@@H](C)CNC(=O)C 0cf2684fa855f95ea59e4d00d3adab12 [0,2,0,0,0,0|1,0,1]=4 501 B8R0.9 CO[C@H](C)CNC(=O)C 8d64b64f82d28ad11a8f0edbe07358fd [0,2,0,0,0,0|1,0,1]=4 502 B8R0.9 C[C@@H](CO)NCC(=O)N 1720c78da7cf8f54c6473f0f0ad3915f [0,2,0,0,0,0|1,0,1]=4 503 B8R0.9 C[C@@H](CO)NCC(=O)O a4ded20e76f16f8cb0ed35de8a1798b1 [0,2,0,0,0,0|1,0,1]=4 504 B8R0.9 C[C@@H](O)CNC(=O)C=O 2603ee2d0f069eae7661384f7ee697eb [0,2,0,0,0,0|1,0,1]=4 505 B8R0.9 C[C@H](CO)NCC(=O)N 280db7eb09d450dda3894db03e34aff2 [0,2,0,0,0,0|1,0,1]=4 506 B8R0.9 C[C@H](CO)NCC(=O)O 3604c50bbfd16fc53504ebc03416b43b [0,2,0,0,0,0|1,0,1]=4 507 B8R0.9 C[C@H](CS)OCC(=O)N 99b35c1160d6521244a3a6571fb38a94 [0,2,0,0,0,0|1,0,1]=4 508 B8R0.9 C[C@H](CS)OCC(=O)O ec11162dd59d106eaabeedeed690abec [0,2,0,0,0,0|1,0,1]=4 509 B8R0.9 C[C@H](O)CNC(=O)C=O 93688556993d21a2fc23a4f3acf54052 [0,2,0,0,0,0|1,0,1]=4 510 B8R0.11 CCC(CC)CNC=O 0da79cf943d9a8666a9700a2e2e9d7c2 [0,2,0,0,0,0|1,0,1]=4 511 B8R0.11 CCC(CC)NCC=O 66280cf687d8bf89fcc5bb7b86c23426 [0,2,0,0,0,0|1,0,1]=4 512 B8R0.11 CCC(CC)OCC=O f1bfaa22ce246d2b20a4566127462c21 [0,2,0,0,0,0|1,0,1]=4 513 B8R0.11 CCC(CO)CNC=O c5363c7642167dc42bef36aeb0412d90 [0,2,0,0,0,0|1,0,1]=4 514 B8R0.11 CCC(CO)NCC=O 36b8c180c423d05a287bbf37daf06e14 [0,2,0,0,0,0|1,0,1]=4 515 B8R0.11 CC[C@@H](CO)NCC=O 10f83f8629097d9496f09b4be9046d3f [0,2,0,0,0,0|1,0,1]=4 516 B8R0.11 CC[C@H](CO)NCC=O e160cd29fcd44c5f7399de9cf9ca258f [0,2,0,0,0,0|1,0,1]=4 517 B8R0.11 COC(CNC=O)OC 0c38a158842ed7f3880c5c5bbd35734f [0,2,0,0,0,0|1,0,1]=4 518 B8R0.11 CO[C@@H](CO)CNC=O 8a7cda371cd7c58b3d3d3a1f3b98c540 [0,2,0,0,0,0|1,0,1]=4 519 B8R0.11 O=CCNC(CO)CO 366e76df9a117064ff74d57082453e8a [0,2,0,0,0,0|1,0,1]=4 520 B8R0.11 O=CCOC(CBr)CBr 98951f7108d1d270a02364cbe64e0bfa [0,2,0,0,0,0|1,0,1]=4 521 B8R0.11 O=CCOC(CCl)CBr 32668120dbbb2b30f0fac4c621bfe84c [0,2,0,0,0,0|1,0,1]=4 522 B8R0.11 O=CCOC(CCl)CCl 9af1926b15711c90a5cbe73c1c70373b [0,2,0,0,0,0|1,0,1]=4 523 B8R0.11 O=CCOC(CF)CF 7a663877f219a92589d4f369d4b529d2 [0,2,0,0,0,0|1,0,1]=4 524 B8R0.11 O=CCO[C@@H](CCl)CI 16351a133a0aa4427cc2649002e53394 [0,2,0,0,0,0|1,0,1]=4 525 B8R0.11 O=CCO[C@H](CCl)CI d50fd553f4a65d74faeceda4be82465a [0,2,0,0,0,0|1,0,1]=4 526 B8R0.11 O=CNCC(CO)CO 5dab1757f6920def9532ee107cc1510d [0,2,0,0,0,0|1,0,1]=4 527 B8R0.25 C#CC(C)(C)NCC=O 9a0a9386613a60d0b0901089ea693e04 [0,2,0,0,0,0|1,0,1]=4 528 B8R0.25 CC(C)(C#N)CNC=O 1f2ac0ee157140ed033aa2ea5b69e387 [0,2,0,0,0,0|1,0,1]=4 529 B8R0.25 CC(C)(C#N)NCC=O 31faa4476e6f9451a91342c4f5b27055 [0,2,0,0,0,0|1,0,1]=4 530 B8R0.25 CC(C)(CF)CNC=O 7ddc66f6fc58f0c22186ae6faa7c4403 [0,2,0,0,0,0|1,0,1]=4 531 B8R0.25 CC(C)(CF)NCC=O e5b32dafbddecefbf66d873fb4b082ed [0,2,0,0,0,0|1,0,1]=4 532 B8R0.25 CC(C)(CO)CNC=O eb6bebe29368584330c3a398b8ebddbc [0,2,0,0,0,0|1,0,1]=4 533 B8R0.25 CC(C)(CO)NCC=O e943279e878f7a41a900e438e4df9f58 [0,2,0,0,0,0|1,0,1]=4 534 B8R0.25 CCC(C)(C)CNC=O bfe9719bdf7704885d6bfbc86c30f02f [0,2,0,0,0,0|1,0,1]=4 535 B8R0.25 CCC(C)(C)NCC=O aa9ffe26ec7f03a9fb85bbb0f3a65039 [0,2,0,0,0,0|1,0,1]=4 536 B8R0.25 CCC(C)(O)CNC=O 9e4389f6bd3420fa20ce5c3bc35a06da [0,2,0,0,0,0|1,0,1]=4 537 B8R0.25 COC(C)(C)CNC=O accad4ec9dde386589aca608b0787b60 [0,2,0,0,0,0|1,0,1]=4 538 B8R0.7 C/C=C/CCOC(C)C 57859a6e8a4f2b42a112ca30c6eb34ea [0,2,0,0,0,0|1,0,1]=4 539 B8R0.7 C/C=C/CNCC(C)C e5a937907a4337201bf33aee5a6b3888 [0,2,0,0,0,0|1,0,1]=4 540 B8R0.7 C/C=C/COCC(C)C 8ec13cf40c3b90303310083630c7b896 [0,2,0,0,0,0|1,0,1]=4 541 B8R0.7 C/C=C\CNCC(C)C 1a299450c5c350cd20a8a498c26f414a [0,2,0,0,0,0|1,0,1]=4 542 B8R0.7 C/C=C\COCC(C)C 42b0314d12dbacaee541d6c376041c6f [0,2,0,0,0,0|1,0,1]=4 543 B8R0.7 CC(=CCNCC=O)C 3064b3a277f78689989dd384c9ba4954 [0,2,0,0,0,0|0,0,2]=4 544 B8R0.7 CC(=CCOCC=O)C 4ab5a59373408a34b4481ca370ab3cf9 [0,2,0,0,0,0|0,0,2]=4 545 B8R0.7 CC(C)/C=C/CNC#N 662a7772478329bbde8a528c9f4974cd [0,2,0,0,0,0|1,0,1]=4 546 B8R0.7 CC(C)CCCNC=O bfa0e9e134f210b758698d92c7453fd7 [0,2,0,0,0,0|0,0,2]=4 547 B8R0.7 CC(C)CCNCC=O 7f31486d3b2c7da3640d8a6a2c90d7ec [0,2,0,0,0,0|0,0,2]=4 548 B8R0.7 CC(C)CCOCC=O c3d2780edfa1fb6d6d194e7c0384e701 [0,2,0,0,0,0|0,0,2]=4 549 B8R0.7 CC(C)CNC/C=C/Cl 3d0b71abeed706a73e3b7c22029cb15d [0,2,0,0,0,0|1,0,1]=4 550 B8R0.7 CC(C)CNC/C=C\Cl 18bcca763523de9a85009fd8c2251730 [0,2,0,0,0,0|1,0,1]=4 551 B8R0.7 CC(C)CNC/C=C\O 2a9e8c84ec357ff0db3f516b3676402a [0,2,0,0,0,0|0,0,2]=4 552 B8R0.7 CC(C)CNCCC=O c6d6e4834d14f931aabc475254ed07bc [0,2,0,0,0,0|0,0,2]=4 553 B8R0.7 CC(C)COC/C=C/Cl 0ce53ca30a5622eb088c942e21e74c99 [0,2,0,0,0,0|1,0,1]=4 554 B8R0.7 CC(C)COC/C=C\Cl b887caec2d2df942d09a1c5e2755f136 [0,2,0,0,0,0|1,0,1]=4 555 B8R0.7 CC(C)COCC=CCl 0153146ea4223b17bea15a288ddd0a0c [0,2,0,0,0,0|1,0,1]=4 556 B8R0.7 CC(C)COCCC=O 0606e6b209ad758c0703a3db270b4a8f [0,2,0,0,0,0|0,0,2]=4 557 B8R0.7 CC(C)OC/C=C/C=O 4e4160efe718f5443229ce2fbcf01269 [0,2,0,0,0,0|0,0,0]=2 558 B8R0.7 CC(C)OCC=CC#N f21756082a44034cc21f22919ec7ca00 [0,2,0,0,0,0|1,0,1]=4 559 B8R0.7 CC(C)OCCCC=O a0a336521d27b867089bba2506cd7e1c [0,2,0,0,0,0|0,0,2]=4 560 B8R0.7 CC(C)OCCNC=O 9db582d0158adc28dc148f1bd6556868 [0,2,0,0,0,0|0,0,2]=4 561 B8R0.7 CC(C)OCCOC=O 1a56f018311ee77835abf65d4ff13081 [0,2,0,0,0,0|0,0,2]=4 562 B8R0.7 CC/C=C/COC(C)C d67b04cdb3ee857cf285217420b83c9a [0,2,0,0,0,0|1,0,1]=4 563 B8R0.7 CC/C=C\COC(C)C 1eaca156f92510db32152c3a8502c92d [0,2,0,0,0,0|1,0,1]=4 564 B8R0.7 CC=CCNCC(C)C 0ee3addc23bb078a62f5c57c3de30544 [0,2,0,0,0,0|1,0,1]=4 565 B8R0.7 CC=CCOCC(C)C ccd450e3ab198b216809b6e4042e1597 [0,2,0,0,0,0|1,0,1]=4 566 B8R0.21 C/C=C/CNC(C)(C)C 66a2315b7974f3c3e64968c9765fcedb [0,2,0,0,0,0|1,0,1]=4 567 B8R0.21 C/C=C\CNC(C)(C)C 41a612941328529db7d803270cc8ea99 [0,2,0,0,0,0|1,0,1]=4 568 B8R0.21 CC(C)(Br)COCC=O 0c1d7c5166ed98b5f925ae9d138c137a [0,2,0,0,0,0|0,0,2]=4 569 B8R0.21 CC(C)(C)CCNC=O 10d181a0403fdc263c049f7950d09c8a [0,2,0,0,0,0|0,0,2]=4 570 B8R0.21 CC(C)(C)CNCC=O 3ad1cf51e607a6beac30c83baeb36c0f [0,2,0,0,0,0|0,0,2]=4 571 B8R0.21 CC(C)(C)COCC=O 452032ec8ec1169c65301506a57f3400 [0,2,0,0,0,0|0,0,2]=4 572 B8R0.21 CC(C)(C)NC/C=C/Cl 17c1c2eace74965058e217918b170611 [0,2,0,0,0,0|1,0,1]=4 573 B8R0.21 CC(C)(C)NC/C=C\Cl 53d968f113bedcc966dc6c82b9b10851 [0,2,0,0,0,0|1,0,1]=4 574 B8R0.21 CC(C)(C)NC/C=C\O da59380b6b417c6f9b52d1ed7eee4d5f [0,2,0,0,0,0|0,0,2]=4 575 B8R0.21 CC(C)(C)NCCC=O 55ce68401173f98bc7370dc4d84bf683 [0,2,0,0,0,0|0,0,2]=4 576 B8R0.21 CC(C)(F)CCNC=O 580d97cb09a7af4eedc84d8d9c23039e [0,2,0,0,0,0|0,0,2]=4 577 B8R0.21 CC(C)(F)COCC=O 96a4f5d42c2e2aa743757d961ea002d5 [0,2,0,0,0,0|0,0,2]=4 578 B8R0.21 CC(C)(O)CCNC=O 8086b4eda3a3ff1c39b6ec114b66fce7 [0,2,0,0,0,0|0,0,2]=4 579 B8R0.21 CC(C)(O)CNCC=O 0b6f9a66e3da10f9fae74e8313e10a67 [0,2,0,0,0,0|0,0,2]=4 580 B8R0.21 CC(C)(S)COCC=O 355fa4dd8d31fd881acfc2d6f070cec6 [0,2,0,0,0,0|0,0,2]=4 581 B8R0.28 C/C(=C/COC(C)C)/Cl 7fe9c64c45a9d920627e606e5c16e8c0 [0,2,0,0,0,0|1,0,1]=4 582 B8R0.28 C/C(=C/COC(C)C)/I bf083f5e2b495d1222df4302aafc9da1 [0,2,0,0,0,0|1,0,1]=4 583 B8R0.28 C/C(=C\COC(C)C)/Cl 3d631fcefff4d6e9b8b38f0d9e660ac1 [0,2,0,0,0,0|1,0,1]=4 584 B8R0.28 CC(=CCNC(C)C)C 4bc1ccab37d407a99a9990c7578b5199 [0,2,0,0,0,0|1,0,1]=4 585 B8R0.28 CC(=CCOC(C)C)C e629491c9d8565cece6e7fc625997c17 [0,2,0,0,0,0|1,0,1]=4 586 B8R0.28 CC(=CCOC(C)C)Cl a39ef05b023be2dade9da17dfad18eaf [0,2,0,0,0,0|1,0,1]=4 587 B8R0.28 CC(=CCOC(C)C)I 01c05b5dfce2ec79ecfc68549232c0d8 [0,2,0,0,0,0|1,0,1]=4 588 B8R0.28 CC(=O)CCOC(C)C aa63e522dd0ebf165c9748d141547c49 [0,2,0,0,0,0|0,0,2]=4 589 B8R0.28 CC(=O)CNCC(C)C 58247fbcbea9991e7cd9ed1b77ee7a40 [0,2,0,0,0,0|0,0,2]=4 590 B8R0.28 CC(=O)COCC(C)C 63d13f7ca3ddeaa73dc93b4258f7679e [0,2,0,0,0,0|0,0,2]=4 591 B8R0.28 CC(=O)NCC=C(C)C 7c7868b44759d01e31a9aacecfcd8b3c [0,2,0,0,0,0|0,0,2]=4 592 B8R0.28 CC(=O)NCCC(C)C b73f1b13554baa3e34a3560715777fc7 [0,2,0,0,0,0|0,0,2]=4 593 B8R0.28 CC(=O)NCOC(C)C 05afe8e43df805f9cf6a2136caacdf0b [0,2,0,0,0,0|1,0,1]=4 594 B8R0.28 CC(=O)OCOC(C)C b15362469d0253806d0b351da68c3f40 [0,2,0,0,0,0|1,0,1]=4 595 B8R0.28 CC(C)CNCC(=O)N 387d837e6273849b1cdad6a6a721ebd2 [0,2,0,0,0,0|0,0,2]=4 596 B8R0.28 CC(C)CNCC(=O)O e07c47544f784e3ece77975eaa39fa62 [0,2,0,0,0,0|0,0,2]=4 597 B8R0.28 CC(C)COCC(=O)N 80d16d817ce82c87fac95f334c2d23e2 [0,2,0,0,0,0|0,0,2]=4 598 B8R0.28 CC(C)COCC(=O)O 569b76ca429bc6806415c3ae92c5e81d [0,2,0,0,0,0|0,0,2]=4 599 B8R0.28 CC(C)NCCC(=O)N 69c941b0389a0756f6e4daf4a9ab0a1c [0,2,0,0,0,0|0,0,2]=4 600 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [0,2,0,0,0,0|0,0,2]=4 601 B8R0.28 CC(C)OCC=C(Cl)Cl 3977695a98ea503580f0c7a3779b47e7 [0,2,0,0,0,0|1,0,1]=4 602 B8R0.28 CC(C)OCCC(=O)N 4ee5da2191d5f265d860cb9cfbdd86d0 [0,2,0,0,0,0|0,0,2]=4 603 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [0,2,0,0,0,0|0,0,2]=4 604 B8R0.28 CC(C)OCNC(=O)N 225bdba254c9e931f9fcb99b6f0644ed [0,2,0,0,0,0|1,0,1]=4 605 B8R0.28 CC(C)OCSC(=O)N 456704dc0d4b427a59e70e240701dde0 [0,2,0,0,0,0|1,0,1]=4 606 B8R0.12 CC(C)C(C)(C)NC=O c402f6696d611e09edd2237c8f5bf6a6 [0,2,0,0,0,0|1,0,1]=4 607 B8R0.14 CC(NC=O)C(C)(C)C fcef1a250c1c4099b4a29dc26795c6db [0,2,0,0,0,0|1,0,1]=4 608 B8R0.14 CC(NC=O)C(C)(C)O 17b49fa3c39bdcf993668c9b144c55dd [0,2,0,0,0,0|1,0,1]=4 609 B8R0.14 CN(CC=O)C(C)(C)C cc5a0344874cb95173664729bbc91e88 [0,2,0,0,0,0|1,0,1]=4 610 B8R0.14 C[C@@H](NC=O)C(C)(C)C c179246283054fd4720ee38830490376 [0,2,0,0,0,0|1,0,1]=4 611 B8R0.14 C[C@@H](NC=O)C(C)(C)O b7357b820d94752478e777402a5aaaa9 [0,2,0,0,0,0|1,0,1]=4 612 B8R0.14 C[C@H](NC=O)C(C)(C)C a3f14ca609de76f7af36c75fcb017143 [0,2,0,0,0,0|1,0,1]=4 613 B8R0.14 C[C@H](NC=O)C(C)(C)O 76e8e13c27f363e997cd96693e783817 [0,2,0,0,0,0|1,0,1]=4 614 B8R0.15 CC(C)C(CO)NC=O 4599dc089ca4ab41dc809b8f9c57ccf3 [0,2,0,0,0,0|1,0,1]=4 615 B8R0.15 CC(C)[C@@H](CO)NC=O 0d34adc915a51568adfe220e0d745358 [0,2,0,0,0,0|1,0,1]=4 616 B8R0.15 CC(C)[C@H](CO)NC=O da96439986266663459f7b0f7a55fa34 [0,2,0,0,0,0|1,0,1]=4 617 B8R0.15 CCC(NC=O)C(C)C 86a28708d965127a5e35d4108bf4acb6 [0,2,0,0,0,0|1,0,1]=4 618 B8R0.15 CCN(CC=O)C(C)C 37df5b9c5ada4224907597a94625cdec [0,2,0,0,0,0|1,0,1]=4 619 B8R0.29 CC(=O)NCC(C)(C)C 9462e7ac263ac589a01977b5f7e527a7 [0,2,0,0,0,0|1,0,1]=4 620 B8R0.29 CC(=O)NCC(C)(C)O ac59c5875c8df765f15b4c858063fbc9 [0,2,0,0,0,0|1,0,1]=4 621 B8R0.29 CC(C)(C)NCC(=O)N bc7ea50a25eec83821fcbddcdcab7596 [0,2,0,0,0,0|1,0,1]=4 622 B8R0.29 CC(C)(C)NCC(=O)O 139b26a0be92451287fa1082e3371d98 [0,2,0,0,0,0|1,0,1]=4 623 B6R1.3 O=CNC1CC1 8f8618d92d234287e5df05f6330bfc1f [1,0,0,1,0,0|1,0,0]=3 624 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [1,0,0,1,0,0|1,0,1]=4 625 B8R1.1 CC1CCN(C1)C=O 802232b85eec3baa7ee60be5f84b67b5 [0,1,0,1,0,0|0,0,2]=4 626 B8R1.20 CC(=O)NC1CC1C 1768a28e3842ccc949f84e026e8d58f3 [0,1,0,1,0,0|1,0,1]=4 627 B8R1.40 C=C(C=O)OC1CC1 b9ffb3a59a8a9a3920997cae2c377c7b [0,1,0,1,0,0|1,0,0]=3 628 B8R1.40 C=CC(=O)NC1CC1 ae1867ae5f1dd1acb685caa201da262d [0,1,0,1,0,0|2,0,0]=4 629 B8R1.40 CC(C=O)NC1CC1 691e0889ed251bf8aa7c3b68c5df0349 [0,1,0,1,0,0|1,0,1]=4 630 B8R1.40 CC(C=O)OC1CC1 23105afb975e278e4885544692b945fa [0,1,0,1,0,0|1,0,1]=4 631 B8R1.40 CN(C=O)CC1CC1 3ebaae3355b02d7a76d4d660673266ff [0,1,0,1,0,0|1,0,1]=4 632 B8R1.40 C[C@H](C=O)NC1CC1 b2dc22049a6d22620bf79363de94a32e [0,1,0,1,0,0|1,0,1]=4 633 B8R1.40 C[C@H](C=O)OC1CC1 0bd45590cb6813e5f06145925c580d8f [0,1,0,1,0,0|1,0,1]=4 634 B8R1.40 O=CC(=O)NC1CC1 288abfcb7bdb635fa8f12884916c723b [0,1,0,1,0,0|1,0,0]=3 635 B8R1.53 CC1(CN(C1)C=O)C 5a5e1fc4a54c949141b800eff88f962a [0,1,0,1,0,0|1,0,1]=4 636 B8R1.53 CC1(CN(C1)C=O)O e93296eff13fb94776ac1a9f3457005e [0,1,0,1,0,0|1,0,1]=4 637 B8R1.9 CC1CC1NCC=O 892d613b2191180ffc95c583aabe7b25 [0,1,0,1,0,0|0,0,2]=4 638 B8R1.9 O=CCN[C@@H]1C[C@H]1F 1b30ed4a609cd2619bcd787e45fd7f37 [0,1,0,1,0,0|1,0,1]=4 639 B8R1.9 O=CCN[C@H]1C[C@@H]1F a1495db808f21a1e52da1e1d9590d29a [0,1,0,1,0,0|1,0,1]=4 640 B8R1.9 O=CCN[C@H]1C[C@H]1F 317579e6fc51976ad113a70571610a12 [0,1,0,1,0,0|1,0,1]=4 641 B8R1.10 O=CCNC1CCC1 633de7cc74462f33663be96f40e3e787 [0,1,0,1,0,0|1,0,1]=4 642 B8R1.10 O=CCNC1COC1 1d6ece322c89f3d7cc823190a32662af [0,1,0,1,0,0|1,0,1]=4 643 B8R1.10 O=CCOC1CCC1 85f0182d9d378ce0abecab1fd07075c2 [0,1,0,1,0,0|1,0,1]=4 644 B8R1.10 O=CCOC1COC1 e8dcab4996958c28de59c791e8f90325 [0,1,0,1,0,0|1,0,1]=4 645 B8R1.10 O=CCOC1CSC1 9f33472b8125f904d8c6a38b30ae6e0f [0,1,0,1,0,0|1,0,1]=4 646 B8R1.10 O=CNCC1CCC1 8913f5bd1f8df32bedea9e3deac9ac7d [0,1,0,1,0,0|1,0,1]=4 647 B8R1.10 O=CNCC1CCO1 1b9d337743db60b895698b8aaa786ab4 [0,1,0,1,0,0|1,0,1]=4 648 B8R1.10 O=CNCC1COC1 d484a9f6109f51ef1467473a4d9493ff [0,1,0,1,0,0|1,0,1]=4 649 B8R1.10 O=CNC[C@@H]1CCO1 fadf694024bd0fc6277f2beb85e4b394 [0,1,0,1,0,0|1,0,1]=4 650 B8R1.10 O=CNC[C@H]1CCO1 26d38116a4b219b0d68fd14a2b690dd1 [0,1,0,1,0,0|1,0,1]=4 651 B8R1.13 CC1OCC1NC=O f9b5eeed2f9956371d02a0585d89de6e [0,1,0,1,0,0|1,0,1]=4 652 B8R1.13 C[C@@H]1CC[C@@H]1NC=O 832ca8b43ce77bd607bafce837c26208 [0,1,0,1,0,0|1,0,1]=4 653 B8R1.13 C[C@@H]1CC[C@H]1NC=O d2720f62c3566f7476bb8bd3bbb32a7b [0,1,0,1,0,0|1,0,1]=4 654 B8R1.17 CO[C@H]1C[C@H]1NC=O 1b79bd8913fb3b88422ac4c515f2fdfc [0,1,0,1,0,0|1,0,1]=4 655 B8R1.17 O=CN[C@@H]1C[C@H]1CO 10a8417564f04103fe2c352e0df4f7b1 [0,1,0,1,0,0|1,0,1]=4 656 B8R1.17 O=CN[C@H]1C[C@@H]1CO fcec26220579a84c0c9bdf6d03f8b348 [0,1,0,1,0,0|1,0,1]=4 657 B8R1.17 O=CN[C@H]1C[C@H]1CO ea8cc98580a13b71ee31b79f516fe4f2 [0,1,0,1,0,0|1,0,1]=4 658 B8R1.41 CC1(CC1)NCC=O 789ed2365d3b2b60268410f6763ad79b [0,1,0,1,0,0|1,0,1]=4 659 B8R1.41 O=CNCC1(CC1)F 871b8e362c3da0fdce3d8e0abaca9a31 [0,1,0,1,0,0|1,0,1]=4 660 B8R1.41 O=CNCC1(CC1)O 026bf04773c1cd53998b7f56de6bf467 [0,1,0,1,0,0|1,0,1]=4 661 B8R1.47 CCC1CN(C1)C=O 9645ce44596bcd4aa700308ce0a15fd2 [0,1,0,1,0,0|1,0,1]=4 662 B8R1.47 COC1CN(C1)C=O 6ae02e7371cb34231d2c8b7c1761233f [0,1,0,1,0,0|1,0,1]=4 663 B8R1.47 CSC1CN(C1)C=O 3e599a49c3beebe60d5d28a097e005b4 [0,1,0,1,0,0|1,0,1]=4 664 B8R1.47 O=CN1CC(C1)CF 125853e913eeb87cf13a0ad83bade73e [0,1,0,1,0,0|1,0,1]=4 665 B8R1.47 O=CN1CC(C1)CO 9e50403ad99f4cbde879e40a47f3fc76 [0,1,0,1,0,0|1,0,1]=4 666 B8R1.7 CC(C)N1CC=CC1 2f652179d71f37d3a43571b3a9e5a44b [0,1,0,1,0,0|1,0,1]=4 667 B8R1.27 CC1(CC1NC=O)C 1eba7b19977ef6314debf1d7d2b38b51 [0,1,0,1,0,0|0,0,2]=4 668 B8R1.27 CC1(CN1CC=O)C 079c8663ebf5941900323baa2b372da1 [0,1,0,1,0,0|0,0,2]=4 669 B8R1.27 CC1(C[C@@H]1NC=O)C 4c0edb90401b625188d015207fc18655 [0,1,0,1,0,0|0,0,2]=4 670 B8R1.27 CC1(C[C@H]1NC=O)C ccea647979ee4862d824980bf0f41c3e [0,1,0,1,0,0|0,0,2]=4 671 B8R1.35 CC(=O)CNC1CC1 bc0778517edf8997c2cb438d2c68c0b3 [0,1,0,1,0,0|1,0,1]=4 672 B8R1.35 CC(=O)COC1CC1 609f3b6a39f515f0075f8f8591a3a733 [0,1,0,1,0,0|1,0,1]=4 673 B8R1.35 CC(=O)NCC1CC1 a9186e5a31a6f613e1b56d3a88df1d54 [0,1,0,1,0,0|1,0,1]=4 674 B8R1.35 NC(=O)CNC1CC1 a00288a750d00bc42baa6fd0a0cd1bb6 [0,1,0,1,0,0|1,0,1]=4 675 B8R1.35 NC(=O)COC1CC1 d832967b8065c8155f8f7bfb171fc20f [0,1,0,1,0,0|1,0,1]=4 676 B8R1.35 O=C(O)CNC1CC1 b2ef6ef58e3db3eafb40e50595acdfb4 [0,1,0,1,0,0|1,0,1]=4 677 B8R1.35 O=C(O)COC1CC1 7246c239d90b158329e958bbc0895f52 [0,1,0,1,0,0|1,0,1]=4 678 B8R1.36 C/C=C/CNC1CC1 c83efb56352014faa96e25c29ca0561e [0,1,0,1,0,0|1,0,1]=4 679 B8R1.36 C/C=C/COC1CC1 15aa4560346f34721439e478547bd987 [0,1,0,1,0,0|1,0,1]=4 680 B8R1.36 C/C=C\CNC1CC1 001e13d1d2d0679fa246964506c4ceda [0,1,0,1,0,0|1,0,1]=4 681 B8R1.36 C/C=C\COC1CC1 ce7e275d1f68c199d5e8c21d318a8df2 [0,1,0,1,0,0|1,0,1]=4 682 B8R1.36 CC=CCNC1CC1 50988c6451e355c31bf55c2693bae416 [0,1,0,1,0,0|1,0,1]=4 683 B8R1.36 CC=CCOC1CC1 ff60a236632b76c466ad916a6efedd46 [0,1,0,1,0,0|1,0,1]=4 684 B8R1.36 Cl/C=C/CNC1CC1 b8e71fb72089f0fa4a119ad2c66e08f0 [0,1,0,1,0,0|1,0,1]=4 685 B8R1.36 Cl/C=C/COC1CC1 6eb7520d3ded741b1531bb59ebb0466c [0,1,0,1,0,0|1,0,1]=4 686 B8R1.36 Cl/C=C\CNC1CC1 0c3b320ca76d1a4d6c9418b34d6c2838 [0,1,0,1,0,0|1,0,1]=4 687 B8R1.36 Cl/C=C\COC1CC1 cf8b6534b8e51e9c5b42ad30ebefc2a9 [0,1,0,1,0,0|1,0,1]=4 688 B8R1.36 ClC=CCOC1CC1 8ce0218ee33db8c1ecb0d74fdde22483 [0,1,0,1,0,0|1,0,1]=4 689 B8R1.36 O/C=C\CNC1CC1 89145433290f5d59d8cbbbc67a33f3c7 [0,1,0,1,0,0|0,0,2]=4 690 B8R1.36 O=CCCNC1CC1 f4d8039ccf048cb8f4199c1b08351d63 [0,1,0,1,0,0|0,0,2]=4 691 B8R1.36 O=CCCOC1CC1 15be0a51dabb82df31730d1a8c7404a9 [0,1,0,1,0,0|0,0,2]=4 692 B8R1.36 O=CCNCC1CC1 5fa5000fcca08c1b84197a398701c7b4 [0,1,0,1,0,0|0,0,2]=4 693 B8R1.36 O=CCOCC1CC1 5be38468eaa20836e46ac65ce100c945 [0,1,0,1,0,0|0,0,2]=4 694 B8R1.36 O=CNCCC1CC1 9542a5931e0c3890dfcf8d7169cc9114 [0,1,0,1,0,0|0,0,2]=4 695 B8R1.37 CN(CC=O)C1CC1 da61bbfc7021687d89d59d54bd0f05ba [0,1,0,1,0,0|1,0,1]=4 696 B8R1.37 C[C@@H](NC=O)C1CC1 6df7776a8a6084e948c30aaa6bcc8106 [0,1,0,1,0,0|1,0,1]=4 697 B8R1.37 C[C@H](NC=O)C1CC1 a44318147b26c551e56d43565edc198d [0,1,0,1,0,0|1,0,1]=4 698 B8R1.77 CC(=O)N1CC1(C)C 590117534e705036bf11af3121bac41b [0,1,0,1,0,0|1,0,1]=4