0 B11R0.81 C#CCCC(=O)CCOCCC 9ec7f839be61337badc09eda437d48c5 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.81 C#CCCC(=O)NCCCCC 3121f7ea77c076ecb80d6df1e79199cc [0,0,0,0,0,0|2,0,2]=4 2 B11R0.81 C#CCCCNC(=O)CCC=C 5ee3e6529cf2587a13c50c07b0dec4f7 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.81 C#CCCNCC(=O)NCC=C c290fc675b19b4c34b650eebf315eeb7 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.81 C#CCCNCC(=O)OCC=C 5c3b8a064bb60015a553f7fc9ac32e92 [0,0,0,0,0,0|1,0,2]=3 5 B11R0.81 C#CCCOCC(=O)NCC=C 85e56010eb68efa9830763bb39de4904 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.81 C#CCCOCC(=O)OCC=C 329f5f7f3eb238023cda70b38ab08b2a [0,0,0,0,0,0|1,0,2]=3 7 B11R0.81 C#CCNC(=O)CCCCCC b4ba5df459510b38869c766023edf1d3 [0,0,0,0,0,0|1,0,2]=3 8 B11R0.81 C#CCNC(=O)CCCCCF bfd17ba5b247b3556d360bc0434be69f [0,0,0,0,0,0|2,0,2]=4 9 B11R0.81 C#CCNC(=O)CCCCCO 23cf184460b18101b9ec19dd66af072b [0,0,0,0,0,0|2,0,2]=4 10 B11R0.81 C#CCNC(=O)CCCCCS 9faedbc6aa8359da61464354f457d367 [0,0,0,0,0,0|2,0,2]=4 11 B11R0.81 C#CCNC(=O)CCOCCC 27596b161dc19ef42c910046e4e7ff23 [0,0,0,0,0,0|2,0,2]=4 12 B11R0.81 C#CCNC(=O)CNCCCC 6795fb42c314c2aaa5800aeaf3989035 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.81 C#CCNC(=O)COCCCC eb55d19d9659e5a5e8e19114460a1df0 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.81 C#CCNC(=O)CSCCCC 31f7eaef8d61322e3a238a9e1a63bb54 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.81 C#CCNC(=O)NCCCCC 03f47746d6d18d530fa1da70fc197490 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.81 C#CCNCCC(=O)NCC=C 78d94178f01cff6c17cffba9ab4da48d [0,0,0,0,0,0|2,0,2]=4 17 B11R0.81 C#CCOC(C)CCCCCC 4c8beb6593abd6a455f2c2519866b4fd [0,0,0,0,0,0|1,0,3]=4 18 B11R0.81 C#CCOCCC(=O)NCC=C adfeb7bc7c698f6e431f022ddb4e38c0 [0,0,0,0,0,0|2,0,2]=4 19 B11R0.81 C#CCO[C@@H](C)CCCCCC 4529e556c23401fbd62141a07b4cf4b5 [0,0,0,0,0,0|1,0,3]=4 20 B11R0.81 C#CCO[C@H](C)CCCCCC ab27d2e44dbdf97ffae2b806c133c127 [0,0,0,0,0,0|1,0,3]=4 21 B11R0.81 C/C=C/CC(=O)NCCCCC 774328c90bf0e133b0d7bc3d5e34ebd5 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.81 C=C(CNCCCC)OCOC c604ac2c9dad96b8cee40842d4a661e6 [0,0,0,0,0,0|3,0,1]=4 23 B11R0.81 C=C(COCCCC)OCOC cea1071227f1d3c93a41108626e5a566 [0,0,0,0,0,0|3,0,1]=4 24 B11R0.81 C=C/C=C/C(=O)NCCCCC 6e00bb4eccd15303cdadb3826fe27155 [0,0,0,0,0,0|2,0,1]=3 25 B11R0.81 C=C/C=C/C(=O)NCCCCCl 01cd5a95109d24ba2ed5a7949c3e6c78 [0,0,0,0,0,0|3,0,1]=4 26 B11R0.81 C=C/C=C/C(=O)NCCCCO 89631b61520a365e48ec8888b02d352e [0,0,0,0,0,0|3,0,1]=4 27 B11R0.81 C=C/C=C/C(=O)NCCCCS c23f15b7e08d45374295d9aef5a17654 [0,0,0,0,0,0|3,0,1]=4 28 B11R0.81 C=C/C=C/C(=O)NCCCOC 548a6c55deb41fadfc7fd1e4c9948ec2 [0,0,0,0,0,0|3,0,1]=4 29 B11R0.81 C=C/C=C/C(=O)NCCCSC 97aa0c09e2b0e06519221ad450d2164c [0,0,0,0,0,0|3,0,1]=4 30 B11R0.81 C=C/C=C/C(=O)NCCOCC 2dc797caa94f5dcc90c66770508f3956 [0,0,0,0,0,0|3,0,1]=4 31 B11R0.81 C=C/C=C/C(=O)NCCSCC 14b6923e23ec1e73b45fa0d80ab36b81 [0,0,0,0,0,0|3,0,1]=4 32 B11R0.81 C=C/C=C\C(=O)NCCCCC ff69046eef2fc88efd8ad9cedefb5182 [0,0,0,0,0,0|2,0,1]=3 33 B11R0.81 C=C/C=C\C(=O)NCCCCCl e3d1fddfb14695fade9beb32a26386ac [0,0,0,0,0,0|3,0,1]=4 34 B11R0.81 C=C/C=C\C(=O)NCCCCO 9c67a0c58cde1e82c54b231eea91ca4e [0,0,0,0,0,0|3,0,1]=4 35 B11R0.81 C=C/C=C\C(=O)NCCCCS 1c3eaa9f02e901ae8a98b94417d54015 [0,0,0,0,0,0|3,0,1]=4 36 B11R0.81 C=C/C=C\C(=O)NCCCOC f6991e38f13c9957e2f5ad2df634500a [0,0,0,0,0,0|3,0,1]=4 37 B11R0.81 C=C/C=C\C(=O)NCCCSC 239ce3da4ad6ff1556608c869de7c591 [0,0,0,0,0,0|3,0,1]=4 38 B11R0.81 C=C/C=C\C(=O)NCCOCC 6edf35d833a01cede4615d09c9c66421 [0,0,0,0,0,0|3,0,1]=4 39 B11R0.81 C=C/C=C\C(=O)NCCSCC f5f5778ad04102d13626aa78dc071e89 [0,0,0,0,0,0|3,0,1]=4 40 B11R0.81 C=CC=CC(=O)NCCCCC f3829a56cfc09f603668e5f9db569660 [0,0,0,0,0,0|2,0,1]=3 41 B11R0.81 C=CC=CC(=O)NCCCCCl 5c6216ca30a782f195f0286d44b61181 [0,0,0,0,0,0|3,0,1]=4 42 B11R0.81 C=CC=CC(=O)NCCCCO ea2abf2c0cbb9dfc03685f8e44e97484 [0,0,0,0,0,0|3,0,1]=4 43 B11R0.81 C=CC=CC(=O)NCCCCS bb903c632d4974845f0a6f69ab3375f6 [0,0,0,0,0,0|3,0,1]=4 44 B11R0.81 C=CC=CC(=O)NCCCOC 05c43e43f5b1ea21efe180eeb3d21ed3 [0,0,0,0,0,0|3,0,1]=4 45 B11R0.81 C=CC=CC(=O)NCCCSC 5381f490f2ab7fb2222907b6bc457fc3 [0,0,0,0,0,0|3,0,1]=4 46 B11R0.81 C=CC=CC(=O)NCCOCC a2cd456c75a8642b7dbb1803fa82b98a [0,0,0,0,0,0|3,0,1]=4 47 B11R0.81 C=CC=CC(=O)NCCSCC 947405a63740d201f5fc802e43bc48ba [0,0,0,0,0,0|3,0,1]=4 48 B11R0.81 C=CCCC(=O)NCCCC#N 4cc15deb6ed38c4e44c30e781ef869d7 [0,0,0,0,0,0|3,0,1]=4 49 B11R0.81 C=CCCC(=O)NCCCCC 8331c8a4efa9f058d9d4ef6f4946e414 [0,0,0,0,0,0|2,0,0]=2 50 B11R0.81 C=CCCC(=O)NCCCCCl 530c3bc456d0a5930076698da9dc8382 [0,0,0,0,0,0|3,0,0]=3 51 B11R0.81 C=CCCC(=O)NCCCCO 78827531924271088dd2dd6fd3447857 [0,0,0,0,0,0|3,0,0]=3 52 B11R0.81 C=CCCC(=O)NCCCCS 88787c9df61503ce8bd02c9dc3f470cc [0,0,0,0,0,0|3,0,0]=3 53 B11R0.81 C=CCCC(=O)NCCCOC 1bed3c52904236672173e32b5257468b [0,0,0,0,0,0|3,0,0]=3 54 B11R0.81 C=CCCC(=O)NCCCSC 242361745df08dc64416b452c936caf4 [0,0,0,0,0,0|3,0,0]=3 55 B11R0.81 C=CCCC(=O)NCCOCC 2c871c1c9cb784b14229731638c0365f [0,0,0,0,0,0|3,0,0]=3 56 B11R0.81 C=CCCC(=O)NCCSCC e22c142cdfc83ab9a76b1bbded24cc57 [0,0,0,0,0,0|3,0,0]=3 57 B11R0.81 C=CCCC(C)NCCCCC c72678af6e35c54e15af857a3a047306 [0,0,0,0,0,0|3,0,1]=4 58 B11R0.81 C=CCCC(C)OCCCCC 5c3621609950ec1f6b4d1c06599c428c [0,0,0,0,0,0|3,0,1]=4 59 B11R0.81 C=CCCC(O)CNCCCC 3229c6c178b90ba1794749c53fb99938 [0,0,0,0,0,0|2,0,2]=4 60 B11R0.81 C=CCCCCC(C)OCC=C 3a81d6b392a21d4f197b79d533af4958 [0,0,0,0,0,0|1,0,3]=4 61 B11R0.81 C=CCCCC[C@@H](C)OCC=C 70bdfcdf8f374a09cd1066a600c62c4b [0,0,0,0,0,0|1,0,3]=4 62 B11R0.81 C=CCCCNC(=O)CCC=C 0efaa59bd06f7c57f9ca1904d92d5813 [0,0,0,0,0,0|2,0,2]=4 63 B11R0.81 C=CCCN(C)CCCCCC ac5230d51369ece9d48c5039c9dbd5b7 [0,0,0,0,0,0|3,0,0]=3 64 B11R0.81 C=CCCN(C)CCCCCF e03cd6abba82a753b44725b6c90eacdf [0,0,0,0,0,0|4,0,0]=4 65 B11R0.81 C=CCCN(C)CCCCCO e6a3d283d276ec301402ac4fe8465a12 [0,0,0,0,0,0|4,0,0]=4 66 B11R0.81 C=CCCN(C)CCCCOC b192e8ff54ce0e4997f2e3dc927f0dac [0,0,0,0,0,0|4,0,0]=4 67 B11R0.81 C=CCCN(C)CCCOCC 09e7217a298593539c9d1e6e26ea7780 [0,0,0,0,0,0|4,0,0]=4 68 B11R0.81 C=CCCN(C)CCCSCC 9e93799c5b6dc282d3894bc816525782 [0,0,0,0,0,0|4,0,0]=4 69 B11R0.81 C=CCCN(C)CCOCCC 74bc1d46bad7f84222d762cbe0519626 [0,0,0,0,0,0|4,0,0]=4 70 B11R0.81 C=CCCN(C)COCCCC 7a6a174f6ff132fe45abe18da132fa6d [0,0,0,0,0,0|4,0,0]=4 71 B11R0.81 C=CCCNCC(=O)NCC=C 677b840246bb1a7b4a28001f8a44805f [0,0,0,0,0,0|2,0,2]=4 72 B11R0.81 C=CCCNCC(=O)OCC=C 49181cd9af15679c2d5163b637d1ce6f [0,0,0,0,0,0|1,0,2]=3 73 B11R0.81 C=CCCOCC(=O)NCC=C 7c4c746946f9b32a77895c72b253c3f5 [0,0,0,0,0,0|2,0,2]=4 74 B11R0.81 C=CCCOCC(=O)OCC=C beccc35343038c968778bf97bfc75d09 [0,0,0,0,0,0|1,0,2]=3 75 B11R0.81 C=CCC[C@@H](C)OCCCCC 1ba9be83b2eefe0ba6693ec19df98046 [0,0,0,0,0,0|3,0,1]=4 76 B11R0.81 C=CCC[C@@H](O)CNCCCC 76f830701e4c4a46f32fb2cd244b024d [0,0,0,0,0,0|2,0,2]=4 77 B11R0.81 C=CCNC(=O)CCNCC#N 8b0ee6a6706f45d59818014bbb700088 [0,0,0,0,0,0|3,0,1]=4 78 B11R0.81 C=CCNC(=O)CCNCCBr 6d00a1b22ccdb9037a2c4750bbbb22e5 [0,0,0,0,0,0|3,0,0]=3 79 B11R0.81 C=CCNC(=O)CCNCCC f33f6af86cca99e57cdf848637ee2415 [0,0,0,0,0,0|2,0,0]=2 80 B11R0.81 C=CCNC(=O)CCNCCF 2ca73a61dbb84572c1972ee0180956fa [0,0,0,0,0,0|3,0,0]=3 81 B11R0.81 C=CCNC(=O)CCNCCI d79c48975390431ef30daf08d082fdcc [0,0,0,0,0,0|3,0,0]=3 82 B11R0.81 C=CCNC(=O)CCNCCO 2c8bae80bab7530313dd8c513fb7b3d9 [0,0,0,0,0,0|3,0,0]=3 83 B11R0.81 C=CCNC(=O)CCNCCS cc02bb1c856f6631d958daaf389e39bd [0,0,0,0,0,0|3,0,0]=3 84 B11R0.81 C=CCNC(=O)CCOCC#N 4538fa1152ff81cc0a133e48ae57ec0d [0,0,0,0,0,0|3,0,1]=4 85 B11R0.81 C=CCNC(=O)CCOCCC 5c93462fb8433f69ea744c18e7e826a5 [0,0,0,0,0,0|2,0,0]=2 86 B11R0.81 C=CCNC(=O)CCOCCF 197c982575d2f46cba124a3eef4efbf3 [0,0,0,0,0,0|3,0,0]=3 87 B11R0.81 C=CCNC(=O)CCOCCS 7afd6ecb5f1676de20217d9324ba0f04 [0,0,0,0,0,0|3,0,0]=3 88 B11R0.81 C=CCNC(=O)CCOCOC a85196938ce496bd04d499c6aa6d1d99 [0,0,0,0,0,0|3,0,0]=3 89 B11R0.81 C=CCNC(=O)CNCC#CC c3e303c3723fdfbe367417f706147726 [0,0,0,0,0,0|2,0,2]=4 90 B11R0.81 C=CCNC(=O)CNCC=CC fc768f31cab3a05e88bab05bdf8f3dab [0,0,0,0,0,0|2,0,2]=4 91 B11R0.81 C=CCNC(=O)CNCCC#N 1dbbea285ae5cf152c230d7736b58af2 [0,0,0,0,0,0|3,0,1]=4 92 B11R0.81 C=CCNC(=O)CNCCCC 458dfea0b295f83a7b6ba3cfa774ad6c [0,0,0,0,0,0|2,0,0]=2 93 B11R0.81 C=CCNC(=O)CNCCCCl 7f584d1c098f03582f391225323ac64b [0,0,0,0,0,0|3,0,0]=3 94 B11R0.81 C=CCNC(=O)CNCCCO 8f2595ff1aa488c505f2c2cc078aee3e [0,0,0,0,0,0|3,0,0]=3 95 B11R0.81 C=CCNC(=O)CNCCOC e32940d7da5441d43b8bada6ddac9042 [0,0,0,0,0,0|3,0,0]=3 96 B11R0.81 C=CCNC(=O)CNCCON 93e282199311115ebc3be952a475f065 [0,0,0,0,0,0|4,0,0]=4 97 B11R0.81 C=CCNC(=O)CNCCSC 2feebf5849cf94464417ed88fd11b74a [0,0,0,0,0,0|3,0,0]=3 98 B11R0.81 C=CCNC(=O)COC/C=C/C d01640257e3941909d8bac69b649b530 [0,0,0,0,0,0|2,0,2]=4 99 B11R0.81 C=CCNC(=O)COC/C=C\C 661e6e9200ba5700bfed7d3178a4fd35 [0,0,0,0,0,0|2,0,2]=4 100 B11R0.81 C=CCNC(=O)COCC#CC 8f50dd04ce0d325112814a3029d787e1 [0,0,0,0,0,0|2,0,2]=4 101 B11R0.81 C=CCNC(=O)COCC=CC 4ed92250a0b9d60b803697d9bdfda9a1 [0,0,0,0,0,0|2,0,2]=4 102 B11R0.81 C=CCNC(=O)COCCC#N 0f5eb4e89e73904452362d63f901f138 [0,0,0,0,0,0|3,0,1]=4 103 B11R0.81 C=CCNC(=O)COCCC=O 6214bc87e3024c6eabd6c6efd018a7c4 [0,0,0,0,0,0|3,0,1]=4 104 B11R0.81 C=CCNC(=O)COCCCC ad852ac7efe927d44c32562b633728e1 [0,0,0,0,0,0|2,0,0]=2 105 B11R0.81 C=CCNC(=O)COCCCF ec7084a29604c22418ec0902706b5bc2 [0,0,0,0,0,0|3,0,0]=3 106 B11R0.81 C=CCNC(=O)COCCCS d4d1d1e94e83b0b13f723c54a3218d38 [0,0,0,0,0,0|3,0,0]=3 107 B11R0.81 C=CCNC(=O)COCCOC 4dcbd207a654890e79b42c5f3ffab98d [0,0,0,0,0,0|3,0,0]=3 108 B11R0.81 C=CCNC(=O)COCCSC 8d3780ccc79a64611b425492166dc458 [0,0,0,0,0,0|3,0,0]=3 109 B11R0.81 C=CCNC(=O)COCOCC d0b5b6b453b92d000710c58ee8b2255d [0,0,0,0,0,0|3,0,0]=3 110 B11R0.81 C=CCNC(=S)NCCOCC f975d49a3c22f0d3331faa541621f5bd [0,0,0,0,0,0|3,1,0]=4 111 B11R0.81 C=CCNC(C)CCCCCC 080152b8a7bbae7c62709bd8caa040e9 [0,0,0,0,0,0|2,0,1]=3 112 B11R0.81 C=CCN[C@@H](C)CCCCCC ab1fa834f97cc50c189925590f258d25 [0,0,0,0,0,0|2,0,1]=3 113 B11R0.81 C=CCN[C@H](C)CCCCCC fd5181e34abf171f4d37daf85894f215 [0,0,0,0,0,0|2,0,1]=3 114 B11R0.81 C=CCOC(=O)CCCNC#N 9a2e4573256e6b2c0b79eeca2cee969f [0,0,0,0,0,0|2,0,1]=3 115 B11R0.81 C=CCOC(=O)CNCC#CC bfa0b27e034c4f8b161150634af6d44c [0,0,0,0,0,0|1,0,2]=3 116 B11R0.81 C=CCOC(=O)CNCC=CC bda4d71d3534cc778f594ae776c3af0a [0,0,0,0,0,0|1,0,2]=3 117 B11R0.81 C=CCOC(=O)CNCCC#N 72b04aa037a2f5f12091aa8055b5132d [0,0,0,0,0,0|2,0,1]=3 118 B11R0.81 C=CCOC(=O)CNCCCC 534650d2aff0c79fa6e91928d4444da4 [0,0,0,0,0,0|1,0,0]=1 119 B11R0.81 C=CCOC(=O)CNCCCCl 51c2ee46659dcac0a5f44389cec0790b [0,0,0,0,0,0|2,0,0]=2 120 B11R0.81 C=CCOC(=O)CNCCCO a389a9aca7d73ebdbd87273e13c59ece [0,0,0,0,0,0|2,0,0]=2 121 B11R0.81 C=CCOC(=O)CNCCOC 29dc30332c831e26f447300744cf1946 [0,0,0,0,0,0|2,0,0]=2 122 B11R0.81 C=CCOC(=O)CNCCON 862d581de5ea18efcba0eb2af76b633f [0,0,0,0,0,0|3,0,0]=3 123 B11R0.81 C=CCOC(=O)CNCCSC 37faa66a8b5465d93783e9e80f2bd689 [0,0,0,0,0,0|2,0,0]=2 124 B11R0.81 C=CCOC(=O)COC/C=C/C 1b7a347a28dc1491b92c0998db0b10f3 [0,0,0,0,0,0|1,0,2]=3 125 B11R0.81 C=CCOC(=O)COC/C=C/Cl caab116485008fc83887b5ad840e17d6 [0,0,0,0,0,0|2,0,2]=4 126 B11R0.81 C=CCOC(=O)COC/C=C\C d70ff3a2960f3339f27bab548343b398 [0,0,0,0,0,0|1,0,2]=3 127 B11R0.81 C=CCOC(=O)COCC#CC 235eddf6fc78030a8a8387d7317aea94 [0,0,0,0,0,0|1,0,2]=3 128 B11R0.81 C=CCOC(=O)COCC#CI 26d30ec65f3fa46c31f2ad021b6822dd [0,0,0,0,0,0|2,0,2]=4 129 B11R0.81 C=CCOC(=O)COCC=CC 0cb4e4009888ba20569c5b6f01d61e4a [0,0,0,0,0,0|1,0,2]=3 130 B11R0.81 C=CCOC(=O)COCC=CCl 04126c87552316dc6824613736aa76a1 [0,0,0,0,0,0|2,0,2]=4 131 B11R0.81 C=CCOC(=O)COCCC#N a0d705a4f158e9add86688ff8e40d85a [0,0,0,0,0,0|2,0,1]=3 132 B11R0.81 C=CCOC(=O)COCCC=O 9f00108b7854348b8e60225cad082034 [0,0,0,0,0,0|2,0,1]=3 133 B11R0.81 C=CCOC(=O)COCCCC d2f9cf52c51eef615b78f4361899c10c [0,0,0,0,0,0|1,0,0]=1 134 B11R0.81 C=CCOC(=O)COCCCF 066b4f25f7cb0ec45195e75cf5a14b53 [0,0,0,0,0,0|2,0,0]=2 135 B11R0.81 C=CCOC(=O)COCCCS 9a56888af32ed7f98e65aa7218b8c467 [0,0,0,0,0,0|2,0,0]=2 136 B11R0.81 C=CCOC(=O)COCCOC ef4516061cd322e32aee5c1f681ed067 [0,0,0,0,0,0|2,0,0]=2 137 B11R0.81 C=CCOC(=O)COCCSC 4472376bfe633254fd7fbf83954e3e87 [0,0,0,0,0,0|2,0,0]=2 138 B11R0.81 C=CCOC(C)CCCCCC 2667d6c3553a09bbd16c579638cc55f5 [0,0,0,0,0,0|1,0,1]=2 139 B11R0.81 C=CCOC(C)COCCCC c9c39b9b95be2cdc50577506001ce453 [0,0,0,0,0,0|2,0,1]=3 140 B11R0.81 C=CCO[C@@H](C)CCCCCC 7926c1bf54189cac3178401c304c8f9a [0,0,0,0,0,0|1,0,1]=2 141 B11R0.81 C=CCO[C@H](C)CCCCCC bea674f4d330009c3c970d90489286f2 [0,0,0,0,0,0|1,0,1]=2 142 B11R0.81 CCCCCCC(=O)NCC#N 5a5547990c18290cb12901a8d3539fa4 [0,0,0,0,0,0|2,0,1]=3 143 B11R0.81 CCCCCCC(=O)NCCBr d79aaed702952d6862f568471d9edfa5 [0,0,0,0,0,0|2,0,1]=3 144 B11R0.81 CCCCCCC(=O)NCCC 87d8790730f902707f59eb54172a1efa [0,0,0,0,0,0|1,0,2]=3 145 B11R0.81 CCCCCCC(=O)NCCF 3a778e51e527334d4841b17c7b1ad87a [0,0,0,0,0,0|2,0,1]=3 146 B11R0.81 CCCCCCC(=O)NCCI 520757295254017557cf28c508dc62ed [0,0,0,0,0,0|2,0,1]=3 147 B11R0.81 CCCCCCC(=O)NCCO f49bad3fe55d361225eacdb6b24aebd1 [0,0,0,0,0,0|2,0,1]=3 148 B11R0.81 CCCCCCC(=O)NCCS 9c8c9533bc6d8ec6506ca7c240541ac4 [0,0,0,0,0,0|2,0,1]=3 149 B11R0.81 CCCCCCC(C)NCC=O c7433337aef04e4748633574e4b09493 [0,0,0,0,0,0|3,0,1]=4 150 B11R0.81 CCCCCCC(C)OCC#N de615e79cc8307aa4842e89edd29d981 [0,0,0,0,0,0|2,0,2]=4 151 B11R0.81 CCCCCCC(C)OCC=O ade50a42a05ac573010d986a97b1212a [0,0,0,0,0,0|2,0,1]=3 152 B11R0.81 CCCCCCC(C)OCCC ba224077acd3b740d8e3fb9b4d425b85 [0,0,0,0,0,0|1,0,3]=4 153 B11R0.81 CCCCCCC(C)OCCF 4029c11da063a889235fa4189e927d2c [0,0,0,0,0,0|2,0,2]=4 154 B11R0.81 CCCCCCC(C)OCCS 8480a7d1dac28cbecd276cfd7d327c97 [0,0,0,0,0,0|2,0,2]=4 155 B11R0.81 CCCCCCC(C)OCOC 06f3fa4a03b800a6ed03a325da232f19 [0,0,0,0,0,0|2,0,2]=4 156 B11R0.81 CCCCCCC(C)OCSC 0ce08d2ad40e1d3e2328da6bf608dda4 [0,0,0,0,0,0|2,0,2]=4 157 B11R0.81 CCCCCCN(C)CCC=O f727319179002329e7fedbeebd43bd2a [0,0,0,0,0,0|4,0,0]=4 158 B11R0.81 CCCCCC[C@@H](C)NCC=O 6e36eecaf11dfc5b75e073af1f838460 [0,0,0,0,0,0|3,0,1]=4 159 B11R0.81 CCCCCC[C@@H](C)OCC#N 1a9815e7df61e920b25d9e7187bc4939 [0,0,0,0,0,0|2,0,2]=4 160 B11R0.81 CCCCCC[C@@H](C)OCC=O 4d298c9b95f21a7e0d2021131da47179 [0,0,0,0,0,0|2,0,1]=3 161 B11R0.81 CCCCCC[C@@H](C)OCCC 2e5a993043dda8cbe04b4c5a7ec49973 [0,0,0,0,0,0|1,0,3]=4 162 B11R0.81 CCCCCC[C@@H](C)OCCF b6467c74c9589cf5fb41339589cc2368 [0,0,0,0,0,0|2,0,2]=4 163 B11R0.81 CCCCCC[C@@H](C)OCCS 3754d26fdd954c90f1c6f32ccfc437fc [0,0,0,0,0,0|2,0,2]=4 164 B11R0.81 CCCCCC[C@@H](C)OCOC c4f6ce6ce697e0f7c254cbe51e7b0e91 [0,0,0,0,0,0|2,0,2]=4 165 B11R0.81 CCCCCC[C@@H](C)OCSC 9f514d0333870d7a5b338269c3a53dcb [0,0,0,0,0,0|2,0,2]=4 166 B11R0.81 CCCCCC[C@H](C)NCC=O 6e51132a2356a5e38a242e1d45ecd574 [0,0,0,0,0,0|3,0,1]=4 167 B11R0.81 CCCCCC[C@H](C)OCC#N d7c907b8ff1e59451831802ff7af552e [0,0,0,0,0,0|2,0,2]=4 168 B11R0.81 CCCCCC[C@H](C)OCC=O e919d7296b8c04a4998ac9a92454377b [0,0,0,0,0,0|2,0,1]=3 169 B11R0.81 CCCCCC[C@H](C)OCCC d12d50ac24407591cb230f2d190f19fa [0,0,0,0,0,0|1,0,3]=4 170 B11R0.81 CCCCCC[C@H](C)OCCF 8df5cfe0970d2ffe80cceac0dc1218aa [0,0,0,0,0,0|2,0,2]=4 171 B11R0.81 CCCCCC[C@H](C)OCCS 97e92c77de3d8a6ecd62ad2a46c3ab4f [0,0,0,0,0,0|2,0,2]=4 172 B11R0.81 CCCCCC[C@H](C)OCOC 0d2245dbcd4d44496373623bc1bbc23a [0,0,0,0,0,0|2,0,2]=4 173 B11R0.81 CCCCCC[C@H](C)OCSC c88ec367c5134901cf2852a687aee963 [0,0,0,0,0,0|2,0,2]=4 174 B11R0.81 CCCCCNC(=O)CCC#N 2fe660453d24f69d43c92da00f816b29 [0,0,0,0,0,0|3,0,1]=4 175 B11R0.81 CCCCCNC(=O)CCC=O 4e06a1300e5289e3f929fbc06dd15cac [0,0,0,0,0,0|3,0,0]=3 176 B11R0.81 CCCCCNC(=O)CCCC a06834419102a1558a19fb3a1406cfb0 [0,0,0,0,0,0|2,0,2]=4 177 B11R0.81 CCCCCNC(=O)CCCF cb3b728da5cd7a0af32935f0696071b9 [0,0,0,0,0,0|3,0,1]=4 178 B11R0.81 CCCCCNC(=O)CCCS 2ce8fa8be7e233b98c683adc51803bf5 [0,0,0,0,0,0|3,0,1]=4 179 B11R0.81 CCCCCNC(=O)CCOC 99bac40aabd096dca01631fdf32d2a4b [0,0,0,0,0,0|3,0,1]=4 180 B11R0.81 CCCCCNC(=O)CCSC 307383e6c5c252e00e4647926ad02c1d [0,0,0,0,0,0|3,0,1]=4 181 B11R0.81 CCCCCNC(=O)CNC=O 7e3a231926715d44376afd8fa12e0ddf [0,0,0,0,0,0|4,0,0]=4 182 B11R0.81 CCCCCNC(=O)NCC#N 91060b67da8f284071ada1ef971fc029 [0,0,0,0,0,0|3,0,1]=4 183 B11R0.81 CCCCCNC(=O)NCCC 2fb53f51cf25e3deb1739f07400adf03 [0,0,0,0,0,0|2,0,2]=4 184 B11R0.81 CCCCCNC(=O)NCCF 0b4c718c69a2ba3827f9360a3aa7f6de [0,0,0,0,0,0|3,0,1]=4 185 B11R0.81 CCCCCNC(=O)NCCN 0fa5863ecf8ff824f576c603fdbab48c [0,0,0,0,0,0|3,0,1]=4 186 B11R0.81 CCCCCNC(=O)NCCO 7bed3c4d3d74ef1f8285ffe585b1af67 [0,0,0,0,0,0|3,0,1]=4 187 B11R0.81 CCCCCNC(=O)NCCS b0ee850c6a99c273160aae12fd772cda [0,0,0,0,0,0|3,0,1]=4 188 B11R0.81 CCCCNCC(=O)CCSC 85cdcea0a9b1cf078809a10dbbdf3702 [0,0,0,0,0,0|3,0,1]=4 189 B11R0.81 CCCCNCC(=O)NCC#N dc22f93c3492cf774952da1c74d15867 [0,0,0,0,0,0|3,0,1]=4 190 B11R0.81 CCCCNCC(=O)NCCC 1203a7b7d7c0248e84b16088ce84c2c6 [0,0,0,0,0,0|2,0,2]=4 191 B11R0.81 CCCCNCC(=O)NCCO f6162a82353a460c1acb4c7b954ac9d7 [0,0,0,0,0,0|3,0,1]=4 192 B11R0.81 CCCCNCC(=O)OCCC 5112f77fa578dbe165c4f7b30cf9dcd3 [0,0,0,0,0,0|1,0,2]=3 193 B11R0.81 CCCCOCC(=O)CCSC dbd0d7739b9bd0f4e7f18e93ebf96429 [0,0,0,0,0,0|3,0,1]=4 194 B11R0.81 CCCCOCC(=O)NCC#N 1cda91d121ab29b6739bbd47b61d3242 [0,0,0,0,0,0|3,0,1]=4 195 B11R0.81 CCCCOCC(=O)NCCBr 36760cee347953899875c7a6baf2be52 [0,0,0,0,0,0|3,0,1]=4 196 B11R0.81 CCCCOCC(=O)NCCC f056b523414cfd937e64d3e95507274e [0,0,0,0,0,0|2,0,2]=4 197 B11R0.81 CCCCOCC(=O)NCCF d0f46a978fa7f79cfc41018a3bf32e0b [0,0,0,0,0,0|3,0,1]=4 198 B11R0.81 CCCCOCC(=O)NCCI 2e3211d82f8259a9d4b8c78d64b512dc [0,0,0,0,0,0|3,0,1]=4 199 B11R0.81 CCCCOCC(=O)NCCO 4c155cdf47da603c7edf6d1efbf727c7 [0,0,0,0,0,0|3,0,1]=4 200 B11R0.81 CCCCOCC(=O)NCCS 83aa5e44cc5bfb76c81802b5a9a0c183 [0,0,0,0,0,0|3,0,1]=4 201 B11R0.81 CCCCOCC(=O)OCCC 2f30b4a3ea1d1302768c7d1388237bfc [0,0,0,0,0,0|1,0,2]=3 202 B11R0.81 CCCCOCC(C)OCC=O 4ec97aebde4285e27b8683843835bd1d [0,0,0,0,0,0|3,0,1]=4 203 B11R0.81 CCCCSCC(=O)NCC#N a2537aafd9fa643247a72076604f21b3 [0,0,0,0,0,0|3,0,1]=4 204 B11R0.81 CCCCSCC(=O)NCCBr fc9d64bf7c03e9c445aa10027dc8e6c7 [0,0,0,0,0,0|3,0,1]=4 205 B11R0.81 CCCCSCC(=O)NCCC 4848b6ae9b9a4132a6a654f6b4b01bb2 [0,0,0,0,0,0|2,0,2]=4 206 B11R0.81 CCCCSCC(=O)NCCF 902133a83b4c8faa994eac9c4f6684dd [0,0,0,0,0,0|3,0,1]=4 207 B11R0.81 CCCCSCC(=O)NCCI eb18eb49e32069cc62e1f34f650cee1b [0,0,0,0,0,0|3,0,1]=4 208 B11R0.81 CCCCSCC(=O)NCCO 12a0aa7a7d1ee3df0aa8b8edb2fab1f6 [0,0,0,0,0,0|3,0,1]=4 209 B11R0.81 CCCCSCC(=O)NCCS 9ec7fcb8e2cfcfa9a98d8bb34cf5292b [0,0,0,0,0,0|3,0,1]=4 210 B11R0.81 CCCNC(=O)CCCCCF baedcab883c63ad1db8337ad163f430a [0,0,0,0,0,0|2,0,2]=4 211 B11R0.81 CCCNC(=O)CCCCCO a7c6a98522f11fc91ddc59d3a1df544e [0,0,0,0,0,0|2,0,2]=4 212 B11R0.81 CCCNC(=O)CCCCCS 0c7dd76a2b4a4cc878012c4009f0ab59 [0,0,0,0,0,0|2,0,2]=4 213 B11R0.81 CCCNC(=O)CCOCCC 42553a8c8b926fca8611ff8d68aeae7a [0,0,0,0,0,0|2,0,2]=4 214 B11R0.81 CCCNCOC(=O)OCCC 4d1a92bf22713f11d028be261523bf97 [0,0,0,0,0,0|2,0,2]=4 215 B11R0.81 CCCOC(=O)CCOCCF 6c164fdc8887ca8fc141e35b4a2592cf [0,0,0,0,0,0|2,0,2]=4 216 B11R0.81 CCCOC(=O)CCOCCS 66ab5f05d7362e8ffc709deb15e32463 [0,0,0,0,0,0|2,0,2]=4 217 B11R0.81 CCCOC(=O)CCOCOC b084930f3f6d47464f74aca37674e143 [0,0,0,0,0,0|2,0,2]=4 218 B11R0.81 CCCOC(=O)CCOCSC 6a6b424b4a9af61c1549e425d21a4cea [0,0,0,0,0,0|2,0,2]=4 219 B11R0.81 CCCOC(=O)CNCCCCl e06e66b7e72050bc47a6fccb635c8907 [0,0,0,0,0,0|2,0,2]=4 220 B11R0.81 CCCOC(=O)CNCCCO 5b111bb1ca4b68c9fade23b956b2305a [0,0,0,0,0,0|2,0,2]=4 221 B11R0.81 CCCOC(=O)CNCCOC 2bbfe3564cc32e7effe8c91738a8c149 [0,0,0,0,0,0|2,0,2]=4 222 B11R0.81 CCCOC(=O)CNCCSC de7dde377f49ccddcbfd56e3a11ac930 [0,0,0,0,0,0|2,0,2]=4 223 B11R0.81 CCCOC(=O)COCCCF 9ca752a218f7446ba1ab857544374ed1 [0,0,0,0,0,0|2,0,2]=4 224 B11R0.81 CCCOC(=O)COCCCS ec467b7eb9b33603d2320c0156a04d36 [0,0,0,0,0,0|2,0,2]=4 225 B11R0.81 CCCOC(=O)COCCOC ef51b9c77d5fe2c9e49043eaac4b1775 [0,0,0,0,0,0|2,0,2]=4 226 B11R0.81 CCCOC(=O)COCCSC ed58dbd3c9afe030aafa25af7a474fbf [0,0,0,0,0,0|2,0,2]=4 227 B11R0.81 CCCOCCC(=O)NCC#N 69e52d10151da556a5e339e93411aff0 [0,0,0,0,0,0|3,0,1]=4 228 B11R0.81 CCCOCCC(=O)NCCBr ceebd061ef17bfcc61e17726c62d4413 [0,0,0,0,0,0|3,0,1]=4 229 B11R0.81 CCCOCCC(=O)NCCF 41ebde66c79e043d15e8735c0c88abdc [0,0,0,0,0,0|3,0,1]=4 230 B11R0.81 CCCOCCC(=O)NCCI 9ec38edeee32187bec3e4fab23b66cf6 [0,0,0,0,0,0|3,0,1]=4 231 B11R0.81 CCCOCCC(=O)NCCO 55ebb584adce6608581830cd8e242f6c [0,0,0,0,0,0|3,0,1]=4 232 B11R0.81 CCCOCCC(=O)NCCS dbb6d37060c484a6c1427fbc6af59f0b [0,0,0,0,0,0|3,0,1]=4 233 B11R0.81 CCCOCCC(=O)OCCC 6ee22521ff14ec2304cdca3071c00c79 [0,0,0,0,0,0|1,0,2]=3 234 B11R0.81 CCCOCOC(=O)OCCC 7cd19f7197089ff3a04837dd12236c27 [0,0,0,0,0,0|2,0,2]=4 235 B11R0.81 CCOCCNC(=O)CCC=O a1793bb43e5fd73d159692252b8121d6 [0,0,0,0,0,0|4,0,0]=4 236 B11R0.81 CCSCCNC(=O)CCC=O 5e1f815d8a5f2a3abca593add86a2fa8 [0,0,0,0,0,0|4,0,0]=4 237 B11R0.81 COCCCNC(=O)CCC=O 7ea1bcc830296e01978c091e2ee9b8d1 [0,0,0,0,0,0|4,0,0]=4 238 B11R0.81 CSCCCNC(=O)CCC=O f5a7720127acc9b9d6119758aefac3a1 [0,0,0,0,0,0|4,0,0]=4 239 B11R0.81 N#CCNC(=O)CCCCCF 5819d534937fca986c879de51b1baa07 [0,0,0,0,0,0|3,0,1]=4 240 B11R0.81 N#CCNC(=O)CCCCCO 2520d65a1844a02ac74b07ec7b65bb8e [0,0,0,0,0,0|3,0,1]=4 241 B11R0.81 N#CCNC(=O)CCCCCS c41ecd00442a9705c40513a9ecd5bddf [0,0,0,0,0,0|3,0,1]=4 242 B11R0.81 O=C(CCCCCF)NCCBr 8751d11b09a34136ffccc132e4c0d1e0 [0,0,0,0,0,0|3,0,1]=4 243 B11R0.81 O=C(CCCCCF)NCCF 17498c23ec8082330daece5a4ba27aaf [0,0,0,0,0,0|3,0,1]=4 244 B11R0.81 O=C(CCCCCF)NCCI ec57eb76c961521d0a84ef9e2f37d204 [0,0,0,0,0,0|3,0,1]=4 245 B11R0.81 O=C(CCCCCF)NCCO a6b2e4d0a25eb301cb1af993e86e54a1 [0,0,0,0,0,0|3,0,1]=4 246 B11R0.81 O=C(CCCCCF)NCCS 4b3f5dc5836aa35f7d7d2716d84e4426 [0,0,0,0,0,0|3,0,1]=4 247 B11R0.81 O=C(CCCCCO)NCCBr 704ebe78e977a00f48c027ec07ffcd4a [0,0,0,0,0,0|3,0,1]=4 248 B11R0.81 O=C(CCCCCO)NCCF 54d69f2dc2b2af65be0ddaa976883c73 [0,0,0,0,0,0|3,0,1]=4 249 B11R0.81 O=C(CCCCCO)NCCI 2651ff58468fdc9c1833d602d182571b [0,0,0,0,0,0|3,0,1]=4 250 B11R0.81 O=C(CCCCCO)NCCO c078daec7d9e5708816806003dfc6cfe [0,0,0,0,0,0|3,0,1]=4 251 B11R0.81 O=C(CCCCCO)NCCS 96315123b21bd68ceb104c5965b3e411 [0,0,0,0,0,0|3,0,1]=4 252 B11R0.81 O=C(CCCCCS)NCCBr ac072fe90b5f32df3f590db3abe50e43 [0,0,0,0,0,0|3,0,1]=4 253 B11R0.81 O=C(CCCCCS)NCCF b0c3139a3ac88a7d1cef649196198b49 [0,0,0,0,0,0|3,0,1]=4 254 B11R0.81 O=C(CCCCCS)NCCI 8cedde78026096d0a6a276a7aa25baa7 [0,0,0,0,0,0|3,0,1]=4 255 B11R0.81 O=C(CCCCCS)NCCO 4421a54cfacceae52214a7abecc953e9 [0,0,0,0,0,0|3,0,1]=4 256 B11R0.81 O=C(CCCCCS)NCCS bba35b924266de4b1f08a631536d56f6 [0,0,0,0,0,0|3,0,1]=4 257 B11R0.81 O=CCCC(=O)NCCCCCl d455beadc4a1b6f9aa467d27b97f0870 [0,0,0,0,0,0|4,0,0]=4 258 B11R0.81 O=CCCC(=O)NCCCCO dc2edf81499eb68c26aaefe790c048a1 [0,0,0,0,0,0|4,0,0]=4 259 B11R0.81 O=CCCC(=O)NCCCCS 8dc52fa127c5c418c064924370d52695 [0,0,0,0,0,0|4,0,0]=4 260 B10R0.1 C#CCC(=O)NCCCCC 04dc362110f47aa68005f8f27e9f123f [1,0,0,0,0,0|1,0,2]=4 261 B10R0.1 C#CCCCNC(=O)CC=C 8d8e64535067e4ecf54ef9aeedfbab1d [1,0,0,0,0,0|1,0,2]=4 262 B10R0.1 C#CCCNCC(=O)OC=C 245ef96e39cff7f5fd1d0ce9d21684c2 [1,0,0,0,0,0|1,0,2]=4 263 B10R0.1 C#CCCOCC(=O)OC=C d463fd7a6ab7a357f30565a811645bf9 [1,0,0,0,0,0|1,0,2]=4 264 B10R0.1 C/C=C/C(=O)NCCCCC 2f321928cc740d5db12c914a5b6ab6d1 [1,0,0,0,0,0|1,0,2]=4 265 B10R0.1 C=CCC(=O)NCCCC#N 3673982049f7af8e08003a1d18159df9 [1,0,0,0,0,0|2,0,1]=4 266 B10R0.1 C=CCC(=O)NCCCCC 60936a96866426d775857d450c7aa644 [1,0,0,0,0,0|1,0,0]=2 267 B10R0.1 C=CCC(=O)NCCCCCl afd47296b8389383e2c0f7b3239b0290 [1,0,0,0,0,0|2,0,0]=3 268 B10R0.1 C=CCC(=O)NCCCCO 16cd5b4af05936b7aa04e36983914cd6 [1,0,0,0,0,0|2,0,0]=3 269 B10R0.1 C=CCC(=O)NCCCCS 15e923ec4b310c730c1565a024ea022c [1,0,0,0,0,0|2,0,0]=3 270 B10R0.1 C=CCC(=O)NCCCOC 7c5d927da7b4b2b041a808e868dd0001 [1,0,0,0,0,0|2,0,0]=3 271 B10R0.1 C=CCC(=O)NCCCSC 8d15408e4dc1b89dbd81d3ecc5cf29d9 [1,0,0,0,0,0|2,0,0]=3 272 B10R0.1 C=CCC(=O)NCCOCC d7ba7d74639e05e7146decbe8b639ec5 [1,0,0,0,0,0|2,0,0]=3 273 B10R0.1 C=CCC(=O)NCCSCC d4def04f4dbb57d748e4296b79411d0d [1,0,0,0,0,0|2,0,0]=3 274 B10R0.1 C=CCC(C)CNCCCC a237fd4f78b74a30412747f6b3fc0552 [1,0,0,0,0,0|2,0,1]=4 275 B10R0.1 C=CCC(C)COCCCC c02a99f7c8b35d96a371d56a86563ee7 [1,0,0,0,0,0|2,0,1]=4 276 B10R0.1 C=CCC(C)OCCCCC b7f426405e4f74e50b5fed1d73a8b9fb [1,0,0,0,0,0|2,0,1]=4 277 B10R0.1 C=CCC(O)CNCCCC 52128b166ffa9b79934922b5c167fdd6 [1,0,0,0,0,0|1,0,2]=4 278 B10R0.1 C=CCCCNC(=O)CC=C b56e070f4973e4dda56e2503fc269330 [1,0,0,0,0,0|1,0,2]=4 279 B10R0.1 C=CCCNCC(=O)OC=C 14d174b6aa4db34d2d506b505a184668 [1,0,0,0,0,0|1,0,2]=4 280 B10R0.1 C=CCCOCC(=O)OC=C 14201e1833217a25a985fbc9c14565b6 [1,0,0,0,0,0|1,0,2]=4 281 B10R0.1 C=CCN(C)CCCCCC e595c6170229d3af00a8abfbd203fd4a [1,0,0,0,0,0|2,0,0]=3 282 B10R0.1 C=CCN(C)CCCCCF cb426aca1cc23b00e568bb9a08f52288 [1,0,0,0,0,0|3,0,0]=4 283 B10R0.1 C=CCN(C)CCCCCO 189380a6653aaa46adcfdb526a6e43ee [1,0,0,0,0,0|3,0,0]=4 284 B10R0.1 C=CCN(C)CCCCOC f0fae002a6893d13075298a4034fdcd0 [1,0,0,0,0,0|3,0,0]=4 285 B10R0.1 C=CCN(C)CCCOCC 2353fcbda23d116e392519f8e5927f39 [1,0,0,0,0,0|3,0,0]=4 286 B10R0.1 C=CCN(C)CCCSCC 389e09feea0ee64aaaae829654ab87aa [1,0,0,0,0,0|3,0,0]=4 287 B10R0.1 C=CCN(C)CCOCCC b8611e2919e030df9b3e066a52a67514 [1,0,0,0,0,0|3,0,0]=4 288 B10R0.1 C=CCN(C)COCCCC 7c09134aff0bc2bc76a827cdad9c4ff1 [1,0,0,0,0,0|3,0,0]=4 289 B10R0.1 C=CC[C@@H](C)OCCCCC aa673c1bd040cb41d238530eaaff3c2a [1,0,0,0,0,0|2,0,1]=4 290 B10R0.1 C=CC[C@H](C)OCCCCC f4d37e55b99eedc4429f4284005d77bf [1,0,0,0,0,0|2,0,1]=4 291 B10R0.1 C=COC(=O)CNCC#CC 718584e2a7d004e78237a0fb560f3476 [1,0,0,0,0,0|1,0,2]=4 292 B10R0.1 C=COC(=O)CNCC=CC 67e6ad60bbff787855967d508032ecc1 [1,0,0,0,0,0|1,0,2]=4 293 B10R0.1 C=COC(=O)CNCCC#N 124fe1437e11d48bd5e6161cb77184c9 [1,0,0,0,0,0|2,0,1]=4 294 B10R0.1 C=COC(=O)CNCCCC dae1382989b40ea758400263a4cea49d [1,0,0,0,0,0|1,0,0]=2 295 B10R0.1 C=COC(=O)CNCCCCl caf0ac5728dd605559e92bbb3415e275 [1,0,0,0,0,0|2,0,0]=3 296 B10R0.1 C=COC(=O)CNCCCO cac6e07aa0776ad5bf37f677f79c57fa [1,0,0,0,0,0|2,0,0]=3 297 B10R0.1 C=COC(=O)CNCCOC c77d8c2d69178f74aafbfc90bf5979c2 [1,0,0,0,0,0|2,0,0]=3 298 B10R0.1 C=COC(=O)CNCCON 036cfd2fae0b3b120496d9f846e032ed [1,0,0,0,0,0|3,0,0]=4 299 B10R0.1 C=COC(=O)CNCCSC ca799b85d4d000afda4c589105bdd9a2 [1,0,0,0,0,0|2,0,0]=3 300 B10R0.1 C=COC(=O)COC/C=C/C 2ff2a91cc3267675a42652ed4e75f0c5 [1,0,0,0,0,0|1,0,2]=4 301 B10R0.1 C=COC(=O)COC/C=C\C a12265c836d27e24acbf48020fbc5d41 [1,0,0,0,0,0|1,0,2]=4 302 B10R0.1 C=COC(=O)COCC#CC b9732dec70f919c98aba2c00881df976 [1,0,0,0,0,0|1,0,2]=4 303 B10R0.1 C=COC(=O)COCC=CC 47de134cb9032bad01ba46ee876911ef [1,0,0,0,0,0|1,0,2]=4 304 B10R0.1 C=COC(=O)COCCC#N a64227a332ed254839cc0dcf38918433 [1,0,0,0,0,0|2,0,1]=4 305 B10R0.1 C=COC(=O)COCCC=O a1b2e635e3e963a76f487badf3ee81a9 [1,0,0,0,0,0|2,0,1]=4 306 B10R0.1 C=COC(=O)COCCCC b0f56a6903bffaeb0bb0ceeee20fb975 [1,0,0,0,0,0|1,0,0]=2 307 B10R0.1 C=COC(=O)COCCCF 64849ad7dcdbd6aeecca5d5ddd1de846 [1,0,0,0,0,0|2,0,0]=3 308 B10R0.1 C=COC(=O)COCCCS d0e3b2c34bf3e597bbbf12d8bc4bee98 [1,0,0,0,0,0|2,0,0]=3 309 B10R0.1 C=COC(=O)COCCOC 40d4ac891dcf61fd91482426dba6a13b [1,0,0,0,0,0|2,0,0]=3 310 B10R0.1 C=COC(=O)COCCSC d164f8344b7adb1f97a6123c3c22663f [1,0,0,0,0,0|2,0,0]=3 311 B10R0.1 CCCCCCC(=O)NC#N ff5c153b19456be5ce593000b848300e [1,0,0,0,0,0|2,0,1]=4 312 B10R0.1 CCCCCCC(C)OCC d985d856010a7b8ef992ad40f7161b3e [1,0,0,0,0,0|1,0,2]=4 313 B10R0.1 CCCCCCC(C)OCF 4e6f5dc99b5f13be4422b5a049616576 [1,0,0,0,0,0|2,0,1]=4 314 B10R0.1 CCCCCCN(C)CC=O a652a4442726a0be8ac2fe96473bb226 [1,0,0,0,0,0|3,0,0]=4 315 B10R0.1 CCCCCC[C@@H](C)OCC af575d78eb64c4272362170d1037dd2d [1,0,0,0,0,0|1,0,2]=4 316 B10R0.1 CCCCCC[C@@H](C)OCF 0e29a5565b8940a17cdb65d67b17cd5e [1,0,0,0,0,0|2,0,1]=4 317 B10R0.1 CCCCCC[C@H](C)OCC 2bb6b456a8080df3ef2c68e70ba1062c [1,0,0,0,0,0|1,0,2]=4 318 B10R0.1 CCCCCC[C@H](C)OCF 91cb64a83cdd4d2c0a4ffe3b65dd171d [1,0,0,0,0,0|2,0,1]=4 319 B10R0.1 CCCCCNC(=O)/C=C/Br ecb0435aa4ab2463ea90f4a108508e49 [1,0,0,0,0,0|2,0,1]=4 320 B10R0.1 CCCCCNC(=O)/C=C/Cl 955b6b7e3570e960a539fd062005b989 [1,0,0,0,0,0|2,0,1]=4 321 B10R0.1 CCCCCNC(=O)/C=C/I 9d744226616ad522003fc9992037fda5 [1,0,0,0,0,0|2,0,1]=4 322 B10R0.1 CCCCCNC(=O)/C=C\Br a8b87e6dae729d0470517d0b917e3af0 [1,0,0,0,0,0|2,0,1]=4 323 B10R0.1 CCCCCNC(=O)/C=C\Cl a04be071be8a4f2debb635989d021997 [1,0,0,0,0,0|2,0,1]=4 324 B10R0.1 CCCCCNC(=O)/C=C\I 3783fb49757e249c404b8c565e3696ea [1,0,0,0,0,0|2,0,1]=4 325 B10R0.1 CCCCCNC(=O)C=CBr 73a98e1197e9d4f9a1e5c85edaa5cbe8 [1,0,0,0,0,0|2,0,1]=4 326 B10R0.1 CCCCCNC(=O)C=CI eb1e29e3ea7986611f3db8e1e5282c20 [1,0,0,0,0,0|2,0,1]=4 327 B10R0.1 CCCCCNC(=O)CC#N 2c6db1124ce6a3f337f9bf4b0c262cef [1,0,0,0,0,0|2,0,1]=4 328 B10R0.1 CCCCCNC(=O)CC=O 36f9b6b1d9882210ce52718d5f372ace [1,0,0,0,0,0|2,0,0]=3 329 B10R0.1 CCCCCNC(=O)CCC cd3617b761f054cae655d3c214537a01 [1,0,0,0,0,0|1,0,2]=4 330 B10R0.1 CCCCCNC(=O)CCF 8f55dcb051c9e4fa4d8e7353d886739d [1,0,0,0,0,0|2,0,1]=4 331 B10R0.1 CCCCCNC(=O)CCO e4a8972fa724b6f0f9b4d6b3c835d2fb [1,0,0,0,0,0|2,0,1]=4 332 B10R0.1 CCCCCNC(=O)CCS 3733c740ac8be76287971250e938eadf [1,0,0,0,0,0|2,0,1]=4 333 B10R0.1 CCCCCNC(=O)COC 3c827a5b8568a226ab9d7a96910886e4 [1,0,0,0,0,0|2,0,1]=4 334 B10R0.1 CCCCCNC(=O)CON d7cee1de03fd51e11ccb46eda36a2cba [1,0,0,0,0,0|3,0,0]=4 335 B10R0.1 CCCCCNC(=O)CSC a633d95815fa33f04c44be165a312304 [1,0,0,0,0,0|2,0,1]=4 336 B10R0.1 CCCCNCC(=O)CCC 453fddd4efd403580a47150fb6a1b943 [1,0,0,0,0,0|1,0,2]=4 337 B10R0.1 CCCCNCC(=O)COC c8c6b69bbcb048c0297d4859878c7a37 [1,0,0,0,0,0|2,0,1]=4 338 B10R0.1 CCCCNCC(=O)NCC a218683c63b1bb6bc4fada805a19d3fa [1,0,0,0,0,0|2,0,1]=4 339 B10R0.1 CCCCNCC(=O)NCO b25b38657c9f4e44ec96d205ddf4ac94 [1,0,0,0,0,0|3,0,0]=4 340 B10R0.1 CCCCNCC(=O)OCC b97c56bc755b41308bd27845c7930d51 [1,0,0,0,0,0|1,0,1]=3 341 B10R0.1 CCCCOCC(=O)CCC 3c18382cf685be3b48662cc000c9f11f [1,0,0,0,0,0|1,0,2]=4 342 B10R0.1 CCCCOCC(=O)COC 5492555264028ec97fd6f9a9065a58cf [1,0,0,0,0,0|2,0,1]=4 343 B10R0.1 CCCCOCC(=O)NCC 1a816a8692edc4d39f6404d2712f2a39 [1,0,0,0,0,0|2,0,1]=4 344 B10R0.1 CCCCOCC(=O)OCC b9d8b0969b606fca5e0d886f04b1b9a2 [1,0,0,0,0,0|1,0,1]=3 345 B10R0.1 CCCNCCC(=O)NCC fed5cf7995e8bcb3cb088a7324683334 [1,0,0,0,0,0|2,0,1]=4 346 B10R0.1 CCCNCCC(=O)OCC a5eca5b369834181d5c681e73bc5df58 [1,0,0,0,0,0|1,0,1]=3 347 B10R0.1 CCCNCOC(=O)OCC dd5fb1e82de8f1385da13ffd886652b3 [1,0,0,0,0,0|2,0,1]=4 348 B10R0.1 CCCOCCC(=O)NCC 716a0638bd662663b8cdb9317f882e86 [1,0,0,0,0,0|2,0,1]=4 349 B10R0.1 CCCOCCC(=O)OCC 7807b520106a1db433af53f99cc9cebe [1,0,0,0,0,0|1,0,1]=3 350 B10R0.1 CCCOCOC(=O)OCC 00ffc636bc87edde518c508ef349454a [1,0,0,0,0,0|2,0,1]=4 351 B10R0.1 CCNCCCC(=O)OCC ec7ea6af2e873221783738c3262f1017 [1,0,0,0,0,0|1,0,1]=3 352 B10R0.1 CCOC(=O)CCCNCF d252d1ad95be1be46de00f0a62c87a26 [1,0,0,0,0,0|2,0,1]=4 353 B10R0.1 CCOC(=O)CCCNCO 6ad8e394886b5bbcf235085ec2778bb5 [1,0,0,0,0,0|2,0,1]=4 354 B10R0.1 CCOC(=O)CCCOCF ec36e0805bbb2fa958b8522cdcebce6e [1,0,0,0,0,0|2,0,1]=4 355 B10R0.1 CCOC(=O)CCNCCBr dc62d6e6989f38d8a1c9086df109dd58 [1,0,0,0,0,0|2,0,1]=4 356 B10R0.1 CCOC(=O)CCNCCF a126fe35bf21d7af24142127a9d7b487 [1,0,0,0,0,0|2,0,1]=4 357 B10R0.1 CCOC(=O)CCNCCI ebee6740df89e11a56f6ab71aafb9dee [1,0,0,0,0,0|2,0,1]=4 358 B10R0.1 CCOC(=O)CCNCCO c103a6e0970c0aff3c29210fe93324f0 [1,0,0,0,0,0|2,0,1]=4 359 B10R0.1 CCOC(=O)CCNCCS aec7d2f9c68c53cea47927e128d7b562 [1,0,0,0,0,0|2,0,1]=4 360 B10R0.1 CCOC(=O)CCNCOC ddf32b15df8cba89ca9d021c4d1d593d [1,0,0,0,0,0|2,0,1]=4 361 B10R0.1 CCOC(=O)CCNCSC 84d439c9c270311224f102ed64d933ea [1,0,0,0,0,0|2,0,1]=4 362 B10R0.1 CCOC(=O)CCOCCF 925e99a249fc8f5a48f8ddf51d1e6a35 [1,0,0,0,0,0|2,0,1]=4 363 B10R0.1 CCOC(=O)CCOCCS c7efa8542dc4c5340c321502afe56ef8 [1,0,0,0,0,0|2,0,1]=4 364 B10R0.1 CCOC(=O)CCOCOC e943a6c684e4e08ca5cc5bedbbbf4d1e [1,0,0,0,0,0|2,0,1]=4 365 B10R0.1 CCOC(=O)CCOCSC 688997c505935e69c875e06b92c7ccc8 [1,0,0,0,0,0|2,0,1]=4 366 B10R0.1 CCOC(=O)CNCCCCl 2a7d72348462cab84c46344b34c99ac2 [1,0,0,0,0,0|2,0,1]=4 367 B10R0.1 CCOC(=O)CNCCCF 2b17c80de5b67443357ab9181868ea7a [1,0,0,0,0,0|2,0,1]=4 368 B10R0.1 CCOC(=O)CNCCCO e6ca78830304e337859e0c6e5fd7adb3 [1,0,0,0,0,0|2,0,1]=4 369 B10R0.1 CCOC(=O)CNCCCS be6e7e8ea1ad129a71f56a17397bacd9 [1,0,0,0,0,0|2,0,1]=4 370 B10R0.1 CCOC(=O)CNCCOC 193cf4f6f69e813ac1a6ad1d465b4cf0 [1,0,0,0,0,0|2,0,1]=4 371 B10R0.1 CCOC(=O)CNCCSC 97cf95347670bdca8ae7f4a58822476d [1,0,0,0,0,0|2,0,1]=4 372 B10R0.1 CCOC(=O)COCCCF 9db06f731f4e085bb967620bc40e73c5 [1,0,0,0,0,0|2,0,1]=4 373 B10R0.1 CCOC(=O)COCCCS 910154b5a69cb476fce331dfd79628e5 [1,0,0,0,0,0|2,0,1]=4 374 B10R0.1 CCOC(=O)COCCOC 8d9669626e8f41a69132fe558212487f [1,0,0,0,0,0|2,0,1]=4 375 B10R0.1 CCOC(=O)COCCSC 68d82d823b73c14bf81455b24058a7e8 [1,0,0,0,0,0|2,0,1]=4 376 B10R0.1 CCOCCCC(=O)OCC 065e688430f5956cbb53aefa5e1e9a90 [1,0,0,0,0,0|1,0,1]=3 377 B10R0.1 CCOCCNC(=O)CC=O 7de1099a21963a808f27bef549b7b2fb [1,0,0,0,0,0|3,0,0]=4 378 B10R0.1 CCOCNCC(=O)OCC 2155e3c18af0c68bcd17bcd5f7780a07 [1,0,0,0,0,0|2,0,1]=4 379 B10R0.1 CCOCOCC(=O)OCC 91dce8a6e34fa8cace96e79585b8811b [1,0,0,0,0,0|2,0,1]=4 380 B10R0.1 CCSCCNC(=O)CC=O 52c9793e5e0429b813d5839a04219f93 [1,0,0,0,0,0|3,0,0]=4 381 B10R0.1 COCCCNC(=O)CC=O a299ab9ef939019fde177b0f3b044fbe [1,0,0,0,0,0|3,0,0]=4 382 B10R0.1 CSCCCNC(=O)CC=O 05743c4a0241e95d0ec7d87d96d8ecb7 [1,0,0,0,0,0|3,0,0]=4 383 B10R0.1 O=CCC(=O)NCCCCCl b13d059e2b7ceee1fd2060dee6fcf7b2 [1,0,0,0,0,0|3,0,0]=4 384 B10R0.1 O=CCC(=O)NCCCCO 567cb245ca63c22d8b9263c16253d38a [1,0,0,0,0,0|3,0,0]=4 385 B10R0.1 O=CCC(=O)NCCCCS df4ade9b47a9e7cdf7796ffe8080b0ff [1,0,0,0,0,0|3,0,0]=4 386 B10R0.71 C#CCCCCCOCC=C bfff9972e70fbc83ebb7e8a48d949ea2 [1,0,0,0,0,0|0,0,3]=4 387 B10R0.71 C#CCOCCCCCCC 69fcb01c702e23b663d9a6d79c522ad8 [1,0,0,0,0,0|0,0,3]=4 388 B10R0.71 C=CCC#CCCOCCC f82b44de2cd4739355962ee893909b6a [1,0,0,0,0,0|2,0,1]=4 389 B10R0.71 C=CCCCCCCOCC 6dbc32c9d3b20eeb8cee0cf24e365bb6 [1,0,0,0,0,0|2,0,1]=4 390 B10R0.71 C=CCCCCCNCCC 10e6b327fcac81e127610491b239e591 [1,0,0,0,0,0|2,0,1]=4 391 B10R0.71 C=CCCCCCOCC=C 0ab8f73f100f07595188ba32d76c124d [1,0,0,0,0,0|0,0,3]=4 392 B10R0.71 C=CCCCCCOCCC c368b69977ea0df80586838beccded89 [1,0,0,0,0,0|2,0,1]=4 393 B10R0.71 C=CCCCCNCCCC 70afaf74cdc590f950a8db01489534df [1,0,0,0,0,0|2,0,1]=4 394 B10R0.71 C=CCCCCOCCCC eb8efda51eb20afeb995d9abe3ad7654 [1,0,0,0,0,0|2,0,1]=4 395 B10R0.71 C=CCCCNCCCCC 4a774e72e8691531f796e4ee77ce73c0 [1,0,0,0,0,0|2,0,1]=4 396 B10R0.71 C=CCCCOCCCCC 63a6d257d062f7533d7c287ac671b0fd [1,0,0,0,0,0|2,0,1]=4 397 B10R0.71 C=CCCNCCCCCC 76e5dd4d3273056eb014515e2136d33d [1,0,0,0,0,0|2,0,0]=3 398 B10R0.71 C=CCCNCCCCCCl f24a979e2bc618bda77c9da3df558937 [1,0,0,0,0,0|3,0,0]=4 399 B10R0.71 C=CCCNCCCCCF f4440dbd77cf312ed56e47e12976f870 [1,0,0,0,0,0|3,0,0]=4 400 B10R0.71 C=CCCNCCCCCO 62f9adf3d7c33e75a7a4174782adecbf [1,0,0,0,0,0|3,0,0]=4 401 B10R0.71 C=CCCNCCCCOC 6ab83d32bf7be366cc7c4768404e0809 [1,0,0,0,0,0|3,0,0]=4 402 B10R0.71 C=CCCNCCCCSC 161d280e5306f8cf5463229ad260169c [1,0,0,0,0,0|3,0,0]=4 403 B10R0.71 C=CCCNCCCOCC b39e8cdd61b4a3c9315e9d70a2cbd65f [1,0,0,0,0,0|3,0,0]=4 404 B10R0.71 C=CCCNCCCSCC 3b56015ae375511aaf56970d70861c13 [1,0,0,0,0,0|3,0,0]=4 405 B10R0.71 C=CCCNCCOCCC 25cbce5d53836cf04b1e9eb740c13274 [1,0,0,0,0,0|3,0,0]=4 406 B10R0.71 C=CCCNCOCCCC 86099dee29166c8afb9c107bd9b94389 [1,0,0,0,0,0|3,0,0]=4 407 B10R0.71 C=CCCOCCCCCC 8814dfd80f4d64b7d70e638ca2c0b882 [1,0,0,0,0,0|2,0,0]=3 408 B10R0.71 C=CCCOCCCCCF cfc3c428871d275f9e4b4b3dbc1b497a [1,0,0,0,0,0|3,0,0]=4 409 B10R0.71 C=CCCOCCCCOC ad566a33374e76128a9847d1fb0443f7 [1,0,0,0,0,0|3,0,0]=4 410 B10R0.71 C=CCCOCCCCSC 57509db3b18f2853353a533d0e0b566c [1,0,0,0,0,0|3,0,0]=4 411 B10R0.71 C=CCCOCCCOCC b2c88cfa57bfadeeaee796424e50f5e4 [1,0,0,0,0,0|3,0,0]=4 412 B10R0.71 C=CCCOCCCSCC a77239e8331c15c431fe09cc9b1883ff [1,0,0,0,0,0|3,0,0]=4 413 B10R0.71 C=CCCOCCOCCC a215d287aabcc25785a7e7ead8bace8c [1,0,0,0,0,0|3,0,0]=4 414 B10R0.71 C=CCCOCCSCCC c41fc4981244c2bc8021af470203300f [1,0,0,0,0,0|3,0,0]=4 415 B10R0.71 C=CCCOCOCCCC f6dccb17feb468898b2eba86d86ac26e [1,0,0,0,0,0|3,0,0]=4 416 B10R0.71 C=CCNCCCCCCC 2a2fd85d2768fa551513c1f6e6f4458d [1,0,0,0,0,0|1,0,1]=3 417 B10R0.71 C=CCNCCCCCCCl 1b73fcaa69e1a5d687f32f9305dd3f6d [1,0,0,0,0,0|2,0,1]=4 418 B10R0.71 C=CCNCCCCCCO c8d7270168b36f18582f9070243a7abc [1,0,0,0,0,0|2,0,1]=4 419 B10R0.71 C=CCNCCCCCOC 4ccbf7ba0304aff1cf7348f7e053fcaf [1,0,0,0,0,0|2,0,1]=4 420 B10R0.71 C=CCNCCCCSCC 65e8cfb569a227cb69aed2bf0da03d39 [1,0,0,0,0,0|2,0,1]=4 421 B10R0.71 C=CCNCCCOCCC ed0d780c98cb9e64315ded14898bbb64 [1,0,0,0,0,0|2,0,1]=4 422 B10R0.71 C=CCNCCOCCCC 35f0986719b3f9a8c793b5807b5a8184 [1,0,0,0,0,0|2,0,1]=4 423 B10R0.71 C=CCOC/C=C/CCCC d2ec8187809949ea3cda8fd3bddd392b [1,0,0,0,0,0|0,0,3]=4 424 B10R0.71 C=CCOCC#CCCCC b255864b5aa149771f16921684b339d9 [1,0,0,0,0,0|0,0,3]=4 425 B10R0.71 C=CCOCC/C=C\CCC 7bc66f0cb21344511e97e7b1bff770d2 [1,0,0,0,0,0|0,0,3]=4 426 B10R0.71 C=CCOCCC#CCCC 18eec351603ed221b9e57672b1e7b9f6 [1,0,0,0,0,0|0,0,3]=4 427 B10R0.71 C=CCOCCC/C=C\CC 68e100c3623cfb70bd643caec38df012 [1,0,0,0,0,0|0,0,3]=4 428 B10R0.71 C=CCOCCCCCC#N c17e96c6f562e210ff458a588f2fb77b [1,0,0,0,0,0|1,0,2]=4 429 B10R0.71 C=CCOCCCCCCC 817dc73f818a9c2b13aa69014917ad92 [1,0,0,0,0,0|0,0,1]=2 430 B10R0.71 C=CCOCCCCCCF f709cb79d0ca41f317d6e8357e9568a7 [1,0,0,0,0,0|1,0,1]=3 431 B10R0.71 C=CCOCCCCCCS a5836358633975ddc0a2aa7700ac4cc7 [1,0,0,0,0,0|1,0,1]=3 432 B10R0.71 C=CCOCCNCCCC e0570ef9f8739d6bbd2a74a6f96e9cc4 [1,0,0,0,0,0|1,0,1]=3 433 B10R0.71 C=CCOCCNCCCCl 1a4c40ef6e20b8321502561329b55ccb [1,0,0,0,0,0|2,0,1]=4 434 B10R0.71 C=CCOCCNCCCO b5afb12034aee9cd4ded8b37720b3f0f [1,0,0,0,0,0|2,0,1]=4 435 B10R0.71 C=CCOCCNCCOC 56ea4b54e66c5d93ffc1743f3573d835 [1,0,0,0,0,0|2,0,1]=4 436 B10R0.71 C=CCOCCNCCSC 50f7ba699db2fdd1ada4e00a0d86526d [1,0,0,0,0,0|2,0,1]=4 437 B10R0.71 C=CCOCCOCCCC e98f10a71c7642e93a50bfdf835e4866 [1,0,0,0,0,0|1,0,1]=3 438 B10R0.71 C=CCOCCOCCCF 45444bb843588a497db8e3f821c4507d [1,0,0,0,0,0|2,0,1]=4 439 B10R0.71 C=CCOCCOCCCS 3ea101366c41b3cd99ceae17af5c2fd5 [1,0,0,0,0,0|2,0,1]=4 440 B10R0.71 C=CCOCCOCCOC 7b1daef4b92fe776b06e0740dccd09d2 [1,0,0,0,0,0|2,0,1]=4 441 B10R0.71 C=CCOCCOCCSC 04887bd3a0ba473c626a99ea29cc569a [1,0,0,0,0,0|2,0,1]=4 442 B10R0.71 C=CCOCCOCOCC 08833c042b257a653dde0b736f237c42 [1,0,0,0,0,0|2,0,1]=4 443 B10R0.71 C=CCOCCSCCCC 50145e0a8a07b0f7e86e2d532683b9de [1,0,0,0,0,0|1,0,1]=3 444 B10R0.71 CCCCCCCNCC=O bfb56bc7341eb925b4f8d6df80cbc0e0 [1,0,0,0,0,0|2,0,1]=4 445 B10R0.71 CCCCCCCOCC#N b53295304faef45cab9990e9f30e24dc [1,0,0,0,0,0|1,0,2]=4 446 B10R0.71 CCCCCCCOCC=O 85a03949435365a6a1fdeda7013cb46a [1,0,0,0,0,0|1,0,1]=3 447 B10R0.71 CCCCCCCOCCC 2dbba9d2fa88b26583f5d2ac3d741b24 [1,0,0,0,0,0|0,0,3]=4 448 B10R0.71 CCCCCCCOCCF 2e8dd6a0af3d2b30f6f325a750e2f8e8 [1,0,0,0,0,0|1,0,2]=4 449 B10R0.71 CCCCCCCOCCS d905d762a9b7d322c87213c7c56ba37f [1,0,0,0,0,0|1,0,2]=4 450 B10R0.71 CCCCCCCOCOC 5ce19ed9c6e4108e173e3dc063eaeb4e [1,0,0,0,0,0|1,0,2]=4 451 B10R0.71 CCCCCCCOCSC 08ad92cc4f51e014a7301f82e1b9552e [1,0,0,0,0,0|1,0,2]=4 452 B10R0.71 CCCCCCNCCC=O 7011a6760ad05bee90b4b5fe1ddade10 [1,0,0,0,0,0|3,0,0]=4 453 B10R0.71 CCCCCCOCCC=O 52e11fbfda6e705332503dbf6ca57c21 [1,0,0,0,0,0|3,0,0]=4 454 B10R0.71 CCCCNCCOCC=O 787911224950c5a6a26ccf3d666907ba [1,0,0,0,0,0|2,0,1]=4 455 B10R0.71 CCCCOCCOCC=O a6901254910c713b78cc0e091da1f627 [1,0,0,0,0,0|2,0,1]=4 456 B10R0.71 CCCCSCCOCC=O 8f29c60b682aa461112b864e43be5ea6 [1,0,0,0,0,0|2,0,1]=4 457 B10R0.71 O=CCOCCCCCCF eb26fffba950986291b67a4251085ad8 [1,0,0,0,0,0|2,0,1]=4 458 B10R0.71 O=CCOCCCCCCS 022fd987f7859973cf4950962786755e [1,0,0,0,0,0|2,0,1]=4 459 B10R0.91 C#CCNC(=O)CCCCC 3a9539c168538be171be7576ea899a5d [1,0,0,0,0,0|1,0,2]=4 460 B10R0.91 C#CCNCC(=O)OCC=C cda8fec65ff38386a8764b6d644c1b49 [1,0,0,0,0,0|1,0,2]=4 461 B10R0.91 C#CCOCC(=O)OCC=C 29e90d15216f6d277d13f9c82ffdbc69 [1,0,0,0,0,0|1,0,2]=4 462 B10R0.91 C=C/C=C/C(=O)NCCCC 10ab5b019fd666fa7fd5d4798cb4be3a [1,0,0,0,0,0|2,0,1]=4 463 B10R0.91 C=C/C=C\C(=O)NCCCC c8a18923925d2c2145bb35dcf37ddb4d [1,0,0,0,0,0|2,0,1]=4 464 B10R0.91 C=CC=CC(=O)NCCCC 20646493048f04a031bdcfa6bf608cd9 [1,0,0,0,0,0|2,0,1]=4 465 B10R0.91 C=CCCC(=O)NCCCC c179eac9e1b3e18e9a6dfaa5dad688c2 [1,0,0,0,0,0|2,0,0]=3 466 B10R0.91 C=CCCC(=O)NCCCCl e5c5091904e975f8eb94141443342e77 [1,0,0,0,0,0|3,0,0]=4 467 B10R0.91 C=CCCC(=O)NCCCO 0f7cf7b2cbbfe5923fa45e1385717245 [1,0,0,0,0,0|3,0,0]=4 468 B10R0.91 C=CCCC(=O)NCCOC da1f904e07def33d4ba17ff39edfab80 [1,0,0,0,0,0|3,0,0]=4 469 B10R0.91 C=CCCC(=O)NCCSC e4b3d91762124b93b28e7cd2e5701523 [1,0,0,0,0,0|3,0,0]=4 470 B10R0.91 C=CCCN(C)CCCCC 600d11d4b28de1fa6d1d48bd67106e34 [1,0,0,0,0,0|3,0,0]=4 471 B10R0.91 C=CCNC(=O)CNCCBr e953b0fa0167d9762c5d81bd76b96f9a [1,0,0,0,0,0|3,0,0]=4 472 B10R0.91 C=CCNC(=O)CNCCC c766befecc0bd8e61fcde973a06fe6e3 [1,0,0,0,0,0|2,0,0]=3 473 B10R0.91 C=CCNC(=O)CNCCF 3545190bf43b9d6260e2b1154c93300a [1,0,0,0,0,0|3,0,0]=4 474 B10R0.91 C=CCNC(=O)CNCCI eaf5a5d99d79e5f0e67f4b0ee997ce09 [1,0,0,0,0,0|3,0,0]=4 475 B10R0.91 C=CCNC(=O)CNCCO 956ab1f539a0e2a38a5b3c5f2dfd0471 [1,0,0,0,0,0|3,0,0]=4 476 B10R0.91 C=CCNC(=O)CNCCS 139264b4973e31fbe84d049161447170 [1,0,0,0,0,0|3,0,0]=4 477 B10R0.91 C=CCNC(=O)COCCC ac0adfc604812b2ddf898cc747eec467 [1,0,0,0,0,0|2,0,0]=3 478 B10R0.91 C=CCNC(=O)COCCF d2edbbdb4cf97396842158d72874c6cd [1,0,0,0,0,0|3,0,0]=4 479 B10R0.91 C=CCNC(=O)COCCS f3cf3e2406f82851d64d3a1894cd6751 [1,0,0,0,0,0|3,0,0]=4 480 B10R0.91 C=CCNC(=O)COCOC 4c118656359c8baaa4c2fbc1e6fe34a7 [1,0,0,0,0,0|3,0,0]=4 481 B10R0.91 C=CCNC(=O)COCSC 2678e7c2181b1e0aac8499795f31e36d [1,0,0,0,0,0|3,0,0]=4 482 B10R0.91 C=CCNC(C)CCCCC e5b34bb66e26eb176e1a877b6a01860f [1,0,0,0,0,0|2,0,1]=4 483 B10R0.91 C=CCN[C@@H](C)CCCCC 42e3b3ea7ec24ff8a1b018b4d20eaf6c [1,0,0,0,0,0|2,0,1]=4 484 B10R0.91 C=CCOC(=O)CNCC#N e0ab7f08936373fb60dfd275b5ecfd70 [1,0,0,0,0,0|2,0,1]=4 485 B10R0.91 C=CCOC(=O)CNCCBr 292b101b7aa5e6b716fdb0c615c4cd40 [1,0,0,0,0,0|2,0,0]=3 486 B10R0.91 C=CCOC(=O)CNCCC 67648fc925c12c4956dc2099905c7d17 [1,0,0,0,0,0|1,0,0]=2 487 B10R0.91 C=CCOC(=O)CNCCF b27292c97099dfd687c732b99fb28d53 [1,0,0,0,0,0|2,0,0]=3 488 B10R0.91 C=CCOC(=O)CNCCI caf122bb7c9fdfd7150684f86d353266 [1,0,0,0,0,0|2,0,0]=3 489 B10R0.91 C=CCOC(=O)CNCCO 9c633adb142dcd984b91721bc7ab005c [1,0,0,0,0,0|2,0,0]=3 490 B10R0.91 C=CCOC(=O)CNCCS 7ca69f62294d91ee5f88719fab08effe [1,0,0,0,0,0|2,0,0]=3 491 B10R0.91 C=CCOC(=O)COCC#N c43d35cb9f67765d601788323818f478 [1,0,0,0,0,0|2,0,1]=4 492 B10R0.91 C=CCOC(=O)COCCC 22ef072aef512cb24bc01a19df239852 [1,0,0,0,0,0|1,0,0]=2 493 B10R0.91 C=CCOC(=O)COCCF 367cd8af4661d625a1cea3c1688f164c [1,0,0,0,0,0|2,0,0]=3 494 B10R0.91 C=CCOC(=O)COCCS ffb47eaf41ea89e7343ceefc800a94da [1,0,0,0,0,0|2,0,0]=3 495 B10R0.91 C=CCOC(=O)COCOC 04044bbf632059c4fb831d738e93150b [1,0,0,0,0,0|2,0,0]=3 496 B10R0.91 C=CCOC(C)CCCCC 1bf318c09ab551e6504949fb18974eac [1,0,0,0,0,0|1,0,1]=3 497 B10R0.91 C=CCOC(C)COCCC 3a6f621ee624fcf93b19d9f35eabfaeb [1,0,0,0,0,0|2,0,1]=4 498 B10R0.91 C=CCO[C@@H](C)CCCCC 2ee769b365c5d7600b33a7d7cbc56689 [1,0,0,0,0,0|1,0,1]=3 499 B10R0.91 C=CCO[C@H](C)CCCCC ee38a79dc4d8a69b1a244e1fe20b43b0 [1,0,0,0,0,0|1,0,1]=3 500 B10R0.91 CCCCCC(=O)NCC#N 99acbb342bd90a5ac939699382b951cb [1,0,0,0,0,0|2,0,1]=4 501 B10R0.91 CCCCCC(=O)NCCBr fec600b048b9d57116c2b5748a328020 [1,0,0,0,0,0|2,0,1]=4 502 B10R0.91 CCCCCC(=O)NCCC 476273c2f4455ec9a0886335ed7ef341 [1,0,0,0,0,0|1,0,2]=4 503 B10R0.91 CCCCCC(=O)NCCF 37faddc206bd3b00f66a7e3bde923aa9 [1,0,0,0,0,0|2,0,1]=4 504 B10R0.91 CCCCCC(=O)NCCI 369522553d6e91903d542a4f6550697a [1,0,0,0,0,0|2,0,1]=4 505 B10R0.91 CCCCCC(=O)NCCO 92903432fe4eb247c90d29401a47cf8c [1,0,0,0,0,0|2,0,1]=4 506 B10R0.91 CCCCCC(=O)NCCS 4780dcd137d64b0482a6c8e0700623f7 [1,0,0,0,0,0|2,0,1]=4 507 B10R0.91 CCCCCC(C)OCC=O b8c5585eaae6e000325f96773525d1b7 [1,0,0,0,0,0|2,0,1]=4 508 B10R0.91 CCCCC[C@@H](C)OCC=O 5d597290901426621601c215c0b29b48 [1,0,0,0,0,0|2,0,1]=4 509 B10R0.91 CCCCC[C@H](C)OCC=O a46961302ad7e0a9ddd3f577a4f840a9 [1,0,0,0,0,0|2,0,1]=4 510 B10R0.91 CCCCNC(=O)CCC=O 16ee83c32f77bd6cec353975767c82cb [1,0,0,0,0,0|3,0,0]=4 511 B10R0.91 CCCNCC(=O)OCCC 9e84091f29a5e60de22e3fa48f4a379f [1,0,0,0,0,0|1,0,2]=4 512 B10R0.91 CCCOC(=O)CCOCC eb2288e0eb1e17d54ff3e8eb454761b3 [1,0,0,0,0,0|1,0,2]=4 513 B10R0.91 CCCOCC(=O)OCCC fd9823e87b4eb570e52bf2a10033572b [1,0,0,0,0,0|1,0,2]=4 514 B12R0.47 C#CCCCCC(=O)NCC=CC 83545f1fd7449ae0ffb556a1798e08c7 [0,1,0,0,0,0|1,0,2]=4 515 B12R0.47 C#CCCCCC(=O)NCCC=C 36f54f2be41dabaf1835e1b73a37c107 [0,1,0,0,0,0|1,0,2]=4 516 B12R0.47 C#CCCCNC(=O)COCC=C 6bf482221f80b8a3409ed32c69c75b31 [0,1,0,0,0,0|1,0,2]=4 517 B12R0.47 C#CCCNC(=O)CCCCCC 4a02c378c4d3d0c44fc1219dcf58c506 [0,1,0,0,0,0|1,0,2]=4 518 B12R0.47 C#CCOCC(=O)NCCCCC de4fdfb94ca8c1d5c77ed96500a874e8 [0,1,0,0,0,0|1,0,2]=4 519 B12R0.47 C/C=C/C=C/C(=O)NCCCCC 6c0a7f6e1153def9c2cdbd5297d508d0 [0,1,0,0,0,0|2,0,1]=4 520 B12R0.47 C/C=C/CNC(C)CCCCCC 18fc91e65298c347c50b06258faf43fb [0,1,0,0,0,0|2,0,1]=4 521 B12R0.47 C/C=C/CN[C@@H](C)CCCCCC 4ad6637bb7dfe8833275775506bbff21 [0,1,0,0,0,0|2,0,1]=4 522 B12R0.47 C/C=C/CN[C@H](C)CCCCCC e18ac43eb662706ff62ac6a32b300a1c [0,1,0,0,0,0|2,0,1]=4 523 B12R0.47 C/C=C/COC(C)CCCCCC 402b2d83fc0318909a323fc3c06a56ef [0,1,0,0,0,0|1,0,1]=3 524 B12R0.47 C/C=C/COC(C)COCCCC a2073bd750255dab606709dc22388d2d [0,1,0,0,0,0|2,0,1]=4 525 B12R0.47 C/C=C/CO[C@@H](C)CCCCCC 551bdae687204bb7652fa2944cefede4 [0,1,0,0,0,0|1,0,1]=3 526 B12R0.47 C/C=C/CO[C@H](C)CCCCCC 5fb3bcdfb68a8a811bfde3c1fd17ffe4 [0,1,0,0,0,0|1,0,1]=3 527 B12R0.47 C/C=C\CNC(C)CCCCCC 168bf8714a74e991f3996d090cf68d0b [0,1,0,0,0,0|2,0,1]=4 528 B12R0.47 C/C=C\CN[C@@H](C)CCCCCC fb44fbd4c18777949cd1c5fbf7ce09cd [0,1,0,0,0,0|2,0,1]=4 529 B12R0.47 C/C=C\CN[C@H](C)CCCCCC df7e610bdbb0dff164a5e389a704b6e2 [0,1,0,0,0,0|2,0,1]=4 530 B12R0.47 C/C=C\COC(C)CCCCCC 9e5e4fcbdbb1341d29f5b50839ef1dd3 [0,1,0,0,0,0|1,0,1]=3 531 B12R0.47 C/C=C\COC(C)COCCCC 14ab033725e43c971d807db993cb528b [0,1,0,0,0,0|2,0,1]=4 532 B12R0.47 C/C=C\CO[C@@H](C)CCCCCC 255bc9894125d695b8153b918fc1e1bb [0,1,0,0,0,0|1,0,1]=3 533 B12R0.47 C/C=C\CO[C@H](C)CCCCCC 0e4d7e1a6c79bcac04a3b6549c5553e3 [0,1,0,0,0,0|1,0,1]=3 534 B12R0.47 C=CCCCC(=O)NCCCCC 35f7b86e3b7179730738061e0bc46c65 [0,1,0,0,0,0|2,0,0]=3 535 B12R0.47 C=CCCCC(=O)NCCCCCl ca7227f9731e60c8278c02e008a42860 [0,1,0,0,0,0|3,0,0]=4 536 B12R0.47 C=CCCCC(=O)NCCCCO f2004c47dd141cec223ed7fc3a3f9c88 [0,1,0,0,0,0|3,0,0]=4 537 B12R0.47 C=CCCCC(=O)NCCCCS 6a61523a967ea8515f4f670e2c89d9e2 [0,1,0,0,0,0|3,0,0]=4 538 B12R0.47 C=CCCCC(=O)NCCCOC 84bb1a949728b6052b45d787be78054c [0,1,0,0,0,0|3,0,0]=4 539 B12R0.47 C=CCCCC(=O)NCCCSC e60f812d7972e95ecec2dcfb03b59bbe [0,1,0,0,0,0|3,0,0]=4 540 B12R0.47 C=CCCCC(=O)NCCOCC 135229c1ee8ebdd448001cce13c5fd25 [0,1,0,0,0,0|3,0,0]=4 541 B12R0.47 C=CCCCC(=O)NCCSCC d1819b3dba2072c73e2982061342c1c6 [0,1,0,0,0,0|3,0,0]=4 542 B12R0.47 C=CCCCCC(=O)NCC=CC 529e7fa11b9cf2052866fa343fe79a20 [0,1,0,0,0,0|1,0,2]=4 543 B12R0.47 C=CCCCCC(=O)NCCC=C b36712d2c1c48941e04b4c2f634a9382 [0,1,0,0,0,0|1,0,2]=4 544 B12R0.47 C=CCCCN(C)CCCCCC 10a5e28fef3e823f934b78046aeeb6de [0,1,0,0,0,0|3,0,0]=4 545 B12R0.47 C=CCCCNC(=O)COCC=C 34af1b805a0165d3732fc9f9b472245d [0,1,0,0,0,0|1,0,2]=4 546 B12R0.47 C=CCCNC(=O)/C=C/CCCC c6737d947e1f8877aaeb11b10aef8eb5 [0,1,0,0,0,0|1,0,2]=4 547 B12R0.47 C=CCCNC(=O)C#CCCCC 519684747c21a3446eb9746b29b5bcae [0,1,0,0,0,0|1,0,2]=4 548 B12R0.47 C=CCCNC(=O)C/C=C/CCC 88dde1e211ff0e11011209473a26dfb4 [0,1,0,0,0,0|1,0,2]=4 549 B12R0.47 C=CCCNC(=O)C=CCCCC 7f32dd2974f40ffcb2346383a0a9f6c5 [0,1,0,0,0,0|1,0,2]=4 550 B12R0.47 C=CCCNC(=O)CCC/C=C/C 5f786361e698c3ee4262029230d74cf4 [0,1,0,0,0,0|1,0,2]=4 551 B12R0.47 C=CCCNC(=O)CCCCC=O 2cb458e0af6bbd5961f09d105f6de2a8 [0,1,0,0,0,0|2,0,1]=4 552 B12R0.47 C=CCCNC(=O)CCCCCC c330d4c5ae68fa976499c1601e8ba2fa [0,1,0,0,0,0|1,0,0]=2 553 B12R0.47 C=CCCNC(=O)CCCCCF c0ea07a89a41e15e8aac4423ed8b04b2 [0,1,0,0,0,0|2,0,0]=3 554 B12R0.47 C=CCCNC(=O)CCCCCO e5861a10230523c247dd285fac8da7bc [0,1,0,0,0,0|2,0,0]=3 555 B12R0.47 C=CCCNC(=O)CCCCCS 3fd7e67a0e66522845d70891124dc360 [0,1,0,0,0,0|2,0,0]=3 556 B12R0.47 C=CCCNC(=O)CCCSSC 4bb6a4b05e47a6ee5096ea0f34c1953a [0,1,0,0,0,0|3,0,0]=4 557 B12R0.47 C=CCCNC(=O)CCOCCC c5ed8551239ad0e9ee63a9494b7ff02a [0,1,0,0,0,0|2,0,0]=3 558 B12R0.47 C=CCCNC(=O)CCOCCO 8df05fdfa3c67fe92a40c7ed06fb8cff [0,1,0,0,0,0|3,0,0]=4 559 B12R0.47 C=CCCNC(=O)CCOCCS e51379b5c53b7a07f69e32ecac580f27 [0,1,0,0,0,0|3,0,0]=4 560 B12R0.47 C=CCCNC(=O)COCCCC 97724e25f228474c670801596f86b6a9 [0,1,0,0,0,0|2,0,0]=3 561 B12R0.47 C=CCCNC(=O)COCCOC af2fa227587f4cc9d19b70afb96458d6 [0,1,0,0,0,0|3,0,0]=4 562 B12R0.47 C=CCCNC(=O)COCCSC fae144a35daa217ff9934d9ce38ce54c [0,1,0,0,0,0|3,0,0]=4 563 B12R0.47 C=CCCNC(=O)CSCCCC 7a2cd0a1cbb6ddef19f551a75191d09b [0,1,0,0,0,0|2,0,0]=3 564 B12R0.47 C=CCCNC(=O)CSCCOC 72554e9a953c10cca5d6c214c88bee9c [0,1,0,0,0,0|3,0,0]=4 565 B12R0.47 C=CCCNC(=O)NCCCCC c0cfef3dd37f161d4a1e8548504a9613 [0,1,0,0,0,0|2,0,0]=3 566 B12R0.47 C=CCCNC(=O)NCCCCN a45f964f4037c66b91ebf995b279d683 [0,1,0,0,0,0|3,0,0]=4 567 B12R0.47 C=CCCNC(=O)NCCCCO b4c46a9bf637641ad7ca22640cb5eabd [0,1,0,0,0,0|3,0,0]=4 568 B12R0.47 C=CCCNC(=O)NCCCCS 1ffa025b467016364ea268380f0c4287 [0,1,0,0,0,0|3,0,0]=4 569 B12R0.47 C=CCCNC(=O)NCCCOC 7fbdf6068083d3cbf86d71f7d2f6a8c9 [0,1,0,0,0,0|3,0,0]=4 570 B12R0.47 C=CCCNC(=O)NCCCSC a8e4aba422c9d7d45e0831360ecdd787 [0,1,0,0,0,0|3,0,0]=4 571 B12R0.47 C=CCCNC(=O)NCCOCC f2e47b28620d97b7af52e1aa8e25d33d [0,1,0,0,0,0|3,0,0]=4 572 B12R0.47 C=CCCNC(=O)NCCSCC 506beebb1937895c2ed0665d597832cb [0,1,0,0,0,0|3,0,0]=4 573 B12R0.47 C=CCCNC(=S)NCCCCC 6fd6db2005b065f8d39cdacd2fc57e40 [0,1,0,0,0,0|2,1,0]=4 574 B12R0.47 C=CCCNC(C)CCCCCC 2ec3b37712941c1df687a3fefe84518c [0,1,0,0,0,0|2,0,1]=4 575 B12R0.47 C=CCCN[C@@H](C)CCCCCC 910a4f8b346400539cf0233a64f9b9dd [0,1,0,0,0,0|2,0,1]=4 576 B12R0.47 C=CCCN[C@H](C)CCCCCC 17c0001d9053d1746d830e24a08c84eb [0,1,0,0,0,0|2,0,1]=4 577 B12R0.47 C=CCCOC(C)CCCCCC 639507cd07b979ed4009e98e9d74792a [0,1,0,0,0,0|1,0,1]=3 578 B12R0.47 C=CCCOC(C)COCCCC b2b3f486de4d6e032f12120221d46787 [0,1,0,0,0,0|2,0,1]=4 579 B12R0.47 C=CCCO[C@@H](C)CCCCCC 4929ecb42cca26b2a8ebbe5a61f900c2 [0,1,0,0,0,0|1,0,1]=3 580 B12R0.47 C=CCCO[C@H](C)CCCCCC e02a48e7fce7350e7ef25c662faac182 [0,1,0,0,0,0|1,0,1]=3 581 B12R0.47 C=CCOCC(=O)NCCCC#N 34a86360f970ecbb831573d33936ccf3 [0,1,0,0,0,0|2,0,1]=4 582 B12R0.47 C=CCOCC(=O)NCCCCC 9a0459c63f8525b2025a8268e820c0f0 [0,1,0,0,0,0|1,0,0]=2 583 B12R0.47 C=CCOCC(=O)NCCCCCl be669275195473aea27e2db66fc2fa3e [0,1,0,0,0,0|2,0,0]=3 584 B12R0.47 C=CCOCC(=O)NCCCCO 1747830bd6881ce6f45ea2a758ef8a84 [0,1,0,0,0,0|2,0,0]=3 585 B12R0.47 C=CCOCC(=O)NCCCCS 605856adf1081c0acba589ef0109e727 [0,1,0,0,0,0|2,0,0]=3 586 B12R0.47 C=CCOCC(=O)NCCCOC 3ac6b735858bfbc53281280dcf539005 [0,1,0,0,0,0|2,0,0]=3 587 B12R0.47 C=CCOCC(=O)NCCCSC c09fb5a3f50a71d5492cfc6c698bba63 [0,1,0,0,0,0|2,0,0]=3 588 B12R0.47 C=CCOCC(=O)NCCOCC c0828f26b52c98e7d8081bd18c4d6fc3 [0,1,0,0,0,0|2,0,0]=3 589 B12R0.47 C=CCOCC(=O)NCCSCC a82e9e3b19725f9149ef38f11654d067 [0,1,0,0,0,0|2,0,0]=3 590 B12R0.47 C=CCOCC(C)CCCCCC cd8c03c7ee520a22763bea417aad201d [0,1,0,0,0,0|1,0,1]=3 591 B12R0.47 C=CCSCC(=O)NCCCCC 6a21d1b536aa843d2e03601ece6a0a26 [0,1,0,0,0,0|1,1,0]=3 592 B12R0.47 C=CCSCC(=O)NCCCCCl 0699956764f93ec9162c1ef831ba2e95 [0,1,0,0,0,0|2,1,0]=4 593 B12R0.47 C=CCSCC(=O)NCCCCO 773c54cfa5c6a003c645181ec6d2433b [0,1,0,0,0,0|2,1,0]=4 594 B12R0.47 C=CCSCC(=O)NCCCCS e5d8531df258ec85bb4f037e94b5f46e [0,1,0,0,0,0|2,1,0]=4 595 B12R0.47 C=CCSCC(=O)NCCCOC b622487a035615712363ff6ed8d016e7 [0,1,0,0,0,0|2,1,0]=4 596 B12R0.47 C=CCSCC(=O)NCCCSC 97aec27f8d098c8a223ef7e1dad6e03d [0,1,0,0,0,0|2,1,0]=4 597 B12R0.47 C=CCSCC(=O)NCCOCC 77cfc34e4418473dd057a18758d7512d [0,1,0,0,0,0|2,1,0]=4 598 B12R0.47 C=CCSCC(=O)NCCSCC 8235ec052f0d5560ac66d671dfa363de [0,1,0,0,0,0|2,1,0]=4 599 B12R0.47 CC#CCNC(=O)CCCCCC 180d6967215ad621444e7fd2416f2229 [0,1,0,0,0,0|1,0,2]=4 600 B12R0.47 CC=CC=CC(=O)NCCCCC 30d487774495d8276c23f31630a7bad5 [0,1,0,0,0,0|2,0,1]=4 601 B12R0.47 CC=CCCC(=O)NCCCCC 33d88b32e41bd210f1d49cf481725af0 [0,1,0,0,0,0|2,0,0]=3 602 B12R0.47 CC=CCCC(=O)NCCCCCl 8740597159ecc7d4c6da682ab3bd6959 [0,1,0,0,0,0|3,0,0]=4 603 B12R0.47 CC=CCCC(=O)NCCCCO 9e1a1aefa754b98c993c2eb71d7bfc8c [0,1,0,0,0,0|3,0,0]=4 604 B12R0.47 CC=CCCC(=O)NCCCCS 82f588f252c08c7a202b94273cd2acbc [0,1,0,0,0,0|3,0,0]=4 605 B12R0.47 CC=CCCC(=O)NCCCOC 39f4e3cbd133d5e3f93d6542122903cd [0,1,0,0,0,0|3,0,0]=4 606 B12R0.47 CC=CCCC(=O)NCCCSC 99b0c056e10a3e719246c8b92fb1f0ec [0,1,0,0,0,0|3,0,0]=4 607 B12R0.47 CC=CCCC(=O)NCCOCC be63fce1158b13958940301e3d2f137a [0,1,0,0,0,0|3,0,0]=4 608 B12R0.47 CC=CCCC(=O)NCCSCC 31238b658e6724a5d7ddb8d3abaf77f7 [0,1,0,0,0,0|3,0,0]=4 609 B12R0.47 CC=CCNC(=O)/C=C/CCCC 44a48827d9e0454e6d55cb49676e9153 [0,1,0,0,0,0|1,0,2]=4 610 B12R0.47 CC=CCNC(=O)C#CCCCC 3a5299f53871b10c7c58fb2fe3681f10 [0,1,0,0,0,0|1,0,2]=4 611 B12R0.47 CC=CCNC(=O)C/C=C/CCC a670f9836ef979e8833d17a0b5def796 [0,1,0,0,0,0|1,0,2]=4 612 B12R0.47 CC=CCNC(=O)C=CCCCC d7146c78d492d419150039916e6a45b7 [0,1,0,0,0,0|1,0,2]=4 613 B12R0.47 CC=CCNC(=O)CCC/C=C/C 3fb494bc6b8af620c998dbb874203267 [0,1,0,0,0,0|1,0,2]=4 614 B12R0.47 CC=CCNC(=O)CCCCC=O 17d5ebe00684e9b5331dd0131900c130 [0,1,0,0,0,0|2,0,1]=4 615 B12R0.47 CC=CCNC(=O)CCCCCC 3e83eef6c2da34221bc78731aa393438 [0,1,0,0,0,0|1,0,0]=2 616 B12R0.47 CC=CCNC(=O)CCCCCF 5fa8c87fd13d00465a4d1581f04f4530 [0,1,0,0,0,0|2,0,0]=3 617 B12R0.47 CC=CCNC(=O)CCCCCO 2c267bcfd8d47b7e9c87afd35ae30097 [0,1,0,0,0,0|2,0,0]=3 618 B12R0.47 CC=CCNC(=O)CCCCCS c01705dde87437ec5600898e1613b19d [0,1,0,0,0,0|2,0,0]=3 619 B12R0.47 CC=CCNC(=O)CCCSSC 40c84071cb5780cc8b308f22fd9ac3b4 [0,1,0,0,0,0|3,0,0]=4 620 B12R0.47 CC=CCNC(=O)CCOCCC f602f31fccc59c567f3c23f3c9ce50ad [0,1,0,0,0,0|2,0,0]=3 621 B12R0.47 CC=CCNC(=O)CCOCCO e9473a63c258f1b0de8f06cad01e51e7 [0,1,0,0,0,0|3,0,0]=4 622 B12R0.47 CC=CCNC(=O)CCOCCS 293b2aa818335700ae42be0250629683 [0,1,0,0,0,0|3,0,0]=4 623 B12R0.47 CC=CCNC(=O)COCCCC eba85297ea2862b70c3d358743edd90c [0,1,0,0,0,0|2,0,0]=3 624 B12R0.47 CC=CCNC(=O)COCCOC eee4b6b9e908cccc34707e97af405949 [0,1,0,0,0,0|3,0,0]=4 625 B12R0.47 CC=CCNC(=O)COCCSC 07816df865cff02f8efb0f20a5587b71 [0,1,0,0,0,0|3,0,0]=4 626 B12R0.47 CC=CCNC(=O)CSCCCC 0d4a6acd82de24039f0dee8fb553357b [0,1,0,0,0,0|2,0,0]=3 627 B12R0.47 CC=CCNC(=O)CSCCOC 732b667ad4261de29626c7944210e8d7 [0,1,0,0,0,0|3,0,0]=4 628 B12R0.47 CC=CCNC(=O)NCCCCC 7a1aec1b76552c50c77015175403e34b [0,1,0,0,0,0|2,0,0]=3 629 B12R0.47 CC=CCNC(=O)NCCCCN ab510e321ddef4cb2617b7307ecbb8cb [0,1,0,0,0,0|3,0,0]=4 630 B12R0.47 CC=CCNC(=O)NCCCCO 34fa9a4ae4c2aa64f744d4365ac5347b [0,1,0,0,0,0|3,0,0]=4 631 B12R0.47 CC=CCNC(=O)NCCCCS 102d88910aac8b62ef84b3184a12fe9c [0,1,0,0,0,0|3,0,0]=4 632 B12R0.47 CC=CCNC(=O)NCCCOC 486835625da11f9e3f15175d41ba6c45 [0,1,0,0,0,0|3,0,0]=4 633 B12R0.47 CC=CCNC(=O)NCCCSC 927e5479112e2a34d3826f570b9b6206 [0,1,0,0,0,0|3,0,0]=4 634 B12R0.47 CC=CCNC(=O)NCCOCC e63257ab9e28b4ef4da689b40ca2b25c [0,1,0,0,0,0|3,0,0]=4 635 B12R0.47 CC=CCNC(=O)NCCSCC 603d7c530238fbfd8f89cb052074a336 [0,1,0,0,0,0|3,0,0]=4 636 B12R0.47 CC=CCNC(=S)NCCCCC 4bb6f107825e87ec05f5f52016f91769 [0,1,0,0,0,0|2,1,0]=4 637 B12R0.47 CC=CCNC(C)CCCCCC 716f3fa7c376b998dd324a8ce75018c4 [0,1,0,0,0,0|2,0,1]=4 638 B12R0.47 CC=CCOC(C)CCCCCC d043a7081def2d39343332d9198e4a22 [0,1,0,0,0,0|1,0,1]=3 639 B12R0.47 CCCCCCC(=O)NCCC#N 98cd2c3e54ccf23bdb791b3eebf5befb [0,1,0,0,0,0|1,0,2]=4 640 B12R0.47 CCCCCCC(=O)NCCCC 950215fe406f48df6ea21c4bbcd323ee [0,1,0,0,0,0|1,0,2]=4 641 B12R0.47 CCCCCCC(=O)NCCCCl f16a48c6be5b61c90800b5593eaed8e6 [0,1,0,0,0,0|1,0,2]=4 642 B12R0.47 CCCCCCC(=O)NCCCO 6759e157de9d1c72bc88d2ef60bf8325 [0,1,0,0,0,0|1,0,2]=4 643 B12R0.47 CCCCCCC(=O)NCCOC 4518ab08a03508ab64ca0bd9cde44d77 [0,1,0,0,0,0|1,0,2]=4 644 B12R0.47 CCCCCCC(=O)NCCON e4809f22a5580e69bb105128b92f3f69 [0,1,0,0,0,0|2,0,1]=4 645 B12R0.47 CCCCCCC(=O)NCCSC 1f716e995779a8d5cbc0c42739af4a81 [0,1,0,0,0,0|1,0,2]=4 646 B12R0.47 CCCCCCC(C)COCC=O 599a7fa50d6d931491c3cabea9b8ce17 [0,1,0,0,0,0|2,0,1]=4 647 B12R0.47 CCCCCCC(C)NC/C=C/Cl 7fcbdd25445adc7946da6a110a1baa9e [0,1,0,0,0,0|2,0,1]=4 648 B12R0.47 CCCCCCC(C)NC/C=C\Cl 1bc6d0f47ffab951154d890f40efabe0 [0,1,0,0,0,0|2,0,1]=4 649 B12R0.47 CCCCCCC(C)NC/C=C\O ae13b3a96dc9b358a917b2857538dd33 [0,1,0,0,0,0|2,0,1]=4 650 B12R0.47 CCCCCCC(C)OC/C=C/Cl 495a320db17f1e61829652d6ddffad89 [0,1,0,0,0,0|1,0,1]=3 651 B12R0.47 CCCCCCC(C)OC/C=C\Cl 366e8a3c7adc2b982562fba53f79725a [0,1,0,0,0,0|1,0,1]=3 652 B12R0.47 CCCCCCC(C)OCC=CCl fca789cde1271f2bcf9986d1f275aedf [0,1,0,0,0,0|1,0,1]=3 653 B12R0.47 CCCCCCC(C)OCCC=O d7632bbd1651e3ff5094343da38ff0fd [0,1,0,0,0,0|1,0,2]=4 654 B12R0.47 CCCCCC[C@@H](C)NC/C=C/Cl 47cba75973321a48ef911ac117f284a1 [0,1,0,0,0,0|2,0,1]=4 655 B12R0.47 CCCCCC[C@@H](C)NC/C=C\Cl a9c2ed54f1c644545168f69c2df99e5d [0,1,0,0,0,0|2,0,1]=4 656 B12R0.47 CCCCCC[C@@H](C)NC/C=C\O 51f4ec4bd66a02ce14a871bfd2aa2a90 [0,1,0,0,0,0|2,0,1]=4 657 B12R0.47 CCCCCC[C@@H](C)OC/C=C/Cl 594af1ff6d551c70e38c10f95f7e8f80 [0,1,0,0,0,0|1,0,1]=3 658 B12R0.47 CCCCCC[C@@H](C)OC/C=C\Cl 856c663a2061173b39e29b4bb5129a95 [0,1,0,0,0,0|1,0,1]=3 659 B12R0.47 CCCCCC[C@@H](C)OCCC=O be2706c793b54d38035c16c0c6593765 [0,1,0,0,0,0|1,0,2]=4 660 B12R0.47 CCCCCC[C@H](C)NC/C=C/Cl 329952e754b39270ad3df0eaa0660014 [0,1,0,0,0,0|2,0,1]=4 661 B12R0.47 CCCCCC[C@H](C)NC/C=C\Cl 74fa81a9ce2adfd2dd784dbe7ce4baf4 [0,1,0,0,0,0|2,0,1]=4 662 B12R0.47 CCCCCC[C@H](C)NC/C=C\O befaf91d42bc2785314548dd68c81d64 [0,1,0,0,0,0|2,0,1]=4 663 B12R0.47 CCCCCC[C@H](C)OC/C=C/Cl d46a27b947c7e70b5736cdfc2629cb3c [0,1,0,0,0,0|1,0,1]=3 664 B12R0.47 CCCCCC[C@H](C)OC/C=C\Cl 8cac812ceea5c076520305ba107627d8 [0,1,0,0,0,0|1,0,1]=3 665 B12R0.47 CCCCCC[C@H](C)OCCC=O fb4406a2cf7d910f370c91c6ef945a14 [0,1,0,0,0,0|1,0,2]=4 666 B12R0.47 CCCCCNC(=O)CCCC=O b09ad783296d346931cf98a6dd1ae856 [0,1,0,0,0,0|2,0,1]=4 667 B12R0.47 CCCCCNC(=O)COCC#N bb4fd9c30606a616764a9eea640b0b8e [0,1,0,0,0,0|2,0,1]=4 668 B12R0.47 CCCCCNC(=O)COCCC 747800b86160b7cb84a42839beab95d1 [0,1,0,0,0,0|1,0,2]=4 669 B12R0.47 CCCCCNC(=O)COCCF 026c86b7b6653160d0a0282ce6f69011 [0,1,0,0,0,0|2,0,1]=4 670 B12R0.47 CCCCCNC(=O)COCCO 1004e709a2d0826a7a20995063de8765 [0,1,0,0,0,0|2,0,1]=4 671 B12R0.47 CCCCCNC(=O)COCCS e4266792d963d82994051ca526726fc4 [0,1,0,0,0,0|2,0,1]=4 672 B12R0.47 CCCCCNC(=O)COCOC b0ff591ee563253dbd330daf468b94e0 [0,1,0,0,0,0|2,0,1]=4 673 B12R0.47 CCCCNCC(=O)OCCCC 8cf36cfe80d146e028be9b047eb4b88c [0,1,0,0,0,0|1,0,2]=4 674 B12R0.47 CCCCNCC(=O)OCCOC 069ddb12c169e4b2c894bdf9cd5698fb [0,1,0,0,0,0|1,0,2]=4 675 B12R0.47 CCCCOC(=O)CCCOCC 0a6013eb1423d39275d7f3a4a0490909 [0,1,0,0,0,0|1,0,2]=4 676 B12R0.47 CCCCOCC(=O)OCCCC ccfbb6321c0687b52bcffe6aebfb7b82 [0,1,0,0,0,0|1,0,2]=4 677 B12R0.47 CCCCOCC(=O)OCCOC 03a6b96b7e42c407dba7c09a13aecb33 [0,1,0,0,0,0|1,0,2]=4 678 B12R0.47 CCCCOCC(C)OC/C=C/Cl 3ae13cf60253fcda776be9053c117a6f [0,1,0,0,0,0|2,0,1]=4 679 B12R0.47 CCCCOCC(C)OC/C=C\Cl 25ffeb73f7f443f3feaa7476087890fa [0,1,0,0,0,0|2,0,1]=4 680 B12R0.95 C#CCNC(=O)CCCCC(C)C 54066364775837e2d94502ff6aa3f173 [0,1,0,0,0,0|1,0,2]=4 681 B12R0.95 C=C/C=C/C(=O)NCCCC(C)C 1e8c06e4f843239889cc8433a647631a [0,1,0,0,0,0|2,0,1]=4 682 B12R0.95 C=C/C=C\C(=O)NCCCC(C)C 24a8fddf4c34371b55d67f9d0843ad89 [0,1,0,0,0,0|2,0,1]=4 683 B12R0.95 C=CC=CC(=O)NCCCC(C)C 8994bce0bc16107244f09d27557b50ce [0,1,0,0,0,0|2,0,1]=4 684 B12R0.95 C=CCCC(=O)NCCCC(C)C 689b81b32b8f7d420ec3402d0dca2b62 [0,1,0,0,0,0|2,0,0]=3 685 B12R0.95 C=CCCC(=O)NCCCN(C)C 30385b59c3a211fededaf56bef843c6d [0,1,0,0,0,0|3,0,0]=4 686 B12R0.95 C=CCCC(=O)NCCCS(=O)C c6f4c0d86e41f45814482dc4f6886da3 [0,1,0,0,0,0|3,0,0]=4 687 B12R0.95 C=CCCC(=O)NCCOC(C)C 1e1b29076a2fb0fcb3d237db69301914 [0,1,0,0,0,0|3,0,0]=4 688 B12R0.95 C=CCCN(C)CCCCC(C)C 9a332abb9c43e5058d3f7191c74cb12f [0,1,0,0,0,0|3,0,0]=4 689 B12R0.95 C=CCCN(C)CCCCC(C)O d684a01cd67edc8330ebe21e1c382795 [0,1,0,0,0,0|3,0,0]=4 690 B12R0.95 C=CCCN(C)CCCC[C@@H](C)O 003aac7a4bf32ee9e2c59b70bcad3785 [0,1,0,0,0,0|3,0,0]=4 691 B12R0.95 C=CCNC(=O)CCNCC(=C)C 9480b18da6da4760d04a6ee2b4be9dac [0,1,0,0,0,0|2,0,1]=4 692 B12R0.95 C=CCNC(=O)CCNCC(=O)C 2400336eb4aed9fc6a1df2cc794b4d1b [0,1,0,0,0,0|2,0,1]=4 693 B12R0.95 C=CCNC(=O)CCNCC(C)C e91e31d7610776f71d62fd0e103162fc [0,1,0,0,0,0|2,0,0]=3 694 B12R0.95 C=CCNC(=O)CCNCC(C)O b1c5b835dcb13470e42ced61ce16892f [0,1,0,0,0,0|2,0,0]=3 695 B12R0.95 C=CCNC(=O)CCNCC(F)F 2f520573170b2be2d24fd5f0cc0d4aa7 [0,1,0,0,0,0|3,0,0]=4 696 B12R0.95 C=CCNC(=O)CCNC[C@@H](C)O 2339520859b07234221ce0510e1c9c2d [0,1,0,0,0,0|2,0,0]=3 697 B12R0.95 C=CCNC(=O)CCNC[C@H](C)O b5efe475fe1b60582bf6170bf366944a [0,1,0,0,0,0|2,0,0]=3 698 B12R0.95 C=CCNC(=O)CCOCC(=C)C 57e36ea666719e6032780209d0fd84dd [0,1,0,0,0,0|2,0,1]=4 699 B12R0.95 C=CCNC(=O)CCOCC(=O)C 5ba389f35b8ff32cd5ebdbd91252497d [0,1,0,0,0,0|2,0,1]=4 700 B12R0.95 C=CCNC(=O)CCOCC(C)C 9c76a7278cb19c381a5c523ec62290b7 [0,1,0,0,0,0|2,0,0]=3 701 B12R0.95 C=CCNC(=O)CCOCC(C)F d0523540eedb06eb5b8a14d113a5bee8 [0,1,0,0,0,0|2,0,0]=3 702 B12R0.95 C=CCNC(=O)CCOCC(C)S df248434842aa783b88295e36553dbf6 [0,1,0,0,0,0|2,0,0]=3 703 B12R0.95 C=CCNC(=O)CCOCC(F)F 289829cefbde00f575ae38dc6e91fc77 [0,1,0,0,0,0|3,0,0]=4 704 B12R0.95 C=CCNC(=O)CCOC[C@@H](C)F 9a81a568523fa906266c27272ae2da3d [0,1,0,0,0,0|2,0,0]=3 705 B12R0.95 C=CCNC(=O)CCOC[C@H](C)F 8e63a2db13cf7e9459b777cee127aee8 [0,1,0,0,0,0|2,0,0]=3 706 B12R0.95 C=CCNC(=O)CNCCC(=C)C 38d0c04950c9bb49189be7a0d021c579 [0,1,0,0,0,0|2,0,1]=4 707 B12R0.95 C=CCNC(=O)CNCCC(C)C 0ab9f5722854b72d324593fa2b4b228e [0,1,0,0,0,0|2,0,0]=3 708 B12R0.95 C=CCNC(=O)CNCCC(C)O 5fe9da2823bbba0ea308d3c9d220ccf0 [0,1,0,0,0,0|2,0,0]=3 709 B12R0.95 C=CCNC(=O)CNCCC(F)F 35667f0222e2e1fb38c4836d55cc91ea [0,1,0,0,0,0|3,0,0]=4 710 B12R0.95 C=CCNC(=O)CNCCN(C)C 9b91eff0de84a96413841ae6010c3efd [0,1,0,0,0,0|3,0,0]=4 711 B12R0.95 C=CCNC(=O)CNCCS(=O)C 07a156aeec53587a4231fe6874672c32 [0,1,0,0,0,0|3,0,0]=4 712 B12R0.95 C=CCNC(=O)CNCC[C@@H](C)O 20c6934b95485c1bdd315bdfbd2c9487 [0,1,0,0,0,0|2,0,0]=3 713 B12R0.95 C=CCNC(=O)CNCC[C@H](C)O 3acd377cc0904637530a672dbd008592 [0,1,0,0,0,0|2,0,0]=3 714 B12R0.95 C=CCNC(=O)COCCC(=C)C 8f2de09e7aef382a915141cc1361d39e [0,1,0,0,0,0|2,0,1]=4 715 B12R0.95 C=CCNC(=O)COCCC(=O)C 267e4527c8c7bdcb0f776d52026c037d [0,1,0,0,0,0|2,0,1]=4 716 B12R0.95 C=CCNC(=O)COCCC(C)C a90af195a1a35c570a33e622f40de396 [0,1,0,0,0,0|2,0,0]=3 717 B12R0.95 C=CCNC(=O)COCCC(F)F 8138e885f9d0e60b77d00ca3bd2b33b3 [0,1,0,0,0,0|3,0,0]=4 718 B12R0.95 C=CCNC(=O)COCCN(C)C 06191c90637ba9057ac0ffe741c42b80 [0,1,0,0,0,0|3,0,0]=4 719 B12R0.95 C=CCNC(=O)COCCS(=O)C b5bf0573b907feebe73851736827b514 [0,1,0,0,0,0|3,0,0]=4 720 B12R0.95 C=CCNC(=O)COCOC(C)C 7bb70a4c3b920d16cfd5121d3a571fd4 [0,1,0,0,0,0|3,0,0]=4 721 B12R0.95 C=CCOC(=O)CCCOC(C)C 37d9320334c3e7955103725c8f7968a4 [0,1,0,0,0,0|1,0,0]=2 722 B12R0.95 C=CCOC(=O)CNCC=C(C)C 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C=CCNC(=O)COC(C)CSC 4d4c27e0ac0438d176b8d0a0ea5fbaf0 [0,1,0,0,0,0|3,0,0]=4 789 B12R0.101 C=CCNC(=O)CO[C@@H](C)CCC f6afad3998c302ef768f3ec0d1778954 [0,1,0,0,0,0|2,0,0]=3 790 B12R0.101 C=CCNC(=O)CO[C@@H](C)COC edabb84016a8f860c5d750b92a9824c4 [0,1,0,0,0,0|3,0,0]=4 791 B12R0.101 C=CCNC(=O)CO[C@H](C)CCC 5ab33d40a06d469550c6c88d83671667 [0,1,0,0,0,0|2,0,0]=3 792 B12R0.101 C=CCNC(=O)CO[C@H](C)COC 763a976ad0e7f62fbb66e06d73b6bfe3 [0,1,0,0,0,0|3,0,0]=4 793 B12R0.101 C=CCOC(=O)CNC(C)CC#N 6b185897c8904eb6e0f648d8b04cb318 [0,1,0,0,0,0|2,0,1]=4 794 B12R0.101 C=CCOC(=O)CNC(C)CCC 8fdcca2541a8eee9d40eeed513cc8436 [0,1,0,0,0,0|1,0,0]=2 795 B12R0.101 C=CCOC(=O)CNC(C)CCO 37c819d05181aee0aa8ee07fcc6d29b8 [0,1,0,0,0,0|2,0,0]=3 796 B12R0.101 C=CCOC(=O)CNC(C)COC 7de747118da7c849b7ffcc53b9ec6509 [0,1,0,0,0,0|2,0,0]=3 797 B12R0.101 C=CCOC(=O)CN[C@@H](C)CCC ecfab09b9998c0ab59db8b44837debbf [0,1,0,0,0,0|1,0,0]=2 798 B12R0.101 C=CCOC(=O)CN[C@@H](C)CCO 8bcbb2291216bc19fa001e6e5af0eaed [0,1,0,0,0,0|2,0,0]=3 799 B12R0.101 C=CCOC(=O)CN[C@@H](C)COC 74b9808228ffd22ad66a83ba16926d90 [0,1,0,0,0,0|2,0,0]=3 800 B12R0.101 C=CCOC(=O)CN[C@H](C)CCO 7610f15ed473f61ef42056542636995e [0,1,0,0,0,0|2,0,0]=3 801 B12R0.101 C=CCOC(=O)CN[C@H](C)COC 45078109a74ce9e8e9ca74f8a2680716 [0,1,0,0,0,0|2,0,0]=3 802 B12R0.101 C=CCOC(=O)COC(=S)CCC 2527087eb8fad2483bc988906590138d [0,1,0,0,0,0|1,0,1]=3 803 B12R0.101 C=CCOC(=O)COC(C)/C=C/C b7522256265470961b4b3050a8f7dc75 [0,1,0,0,0,0|1,0,2]=4 804 B12R0.101 C=CCOC(=O)COC(C)C#CC ed93ab5bd98ec2a874206129d0a0d94b [0,1,0,0,0,0|1,0,2]=4 805 B12R0.101 C=CCOC(=O)COC(C)C=CC c95bc27fc69e6d24715347bb484a1c1c [0,1,0,0,0,0|1,0,2]=4 806 B12R0.101 C=CCOC(=O)COC(C)CC#N 73126392387470ebae60e561f6e63bbe [0,1,0,0,0,0|2,0,1]=4 807 B12R0.101 C=CCOC(=O)COC(C)CC=C 33a127be47ce8704b593ca0d033b7ac6 [0,1,0,0,0,0|1,0,2]=4 808 B12R0.101 C=CCOC(=O)COC(C)CCC af41e6d04b94ffc12ca1b8a6e24d5557 [0,1,0,0,0,0|1,0,0]=2 809 B12R0.101 C=CCOC(=O)COC(C)COC d95438f818b73b528269544106592802 [0,1,0,0,0,0|2,0,0]=3 810 B12R0.101 C=CCOC(=O)COC(C)CSC dfe76e4b9e4896047518163e2a118415 [0,1,0,0,0,0|2,0,0]=3 811 B12R0.101 C=CCOC(=O)CO[C@@H](C)CC#N 056acdc0a779629226d1daaba8ff584e [0,1,0,0,0,0|2,0,1]=4 812 B12R0.101 C=CCOC(=O)CO[C@@H](C)CC=C da0556fd6a8ec480ef0a629512ee0b72 [0,1,0,0,0,0|1,0,2]=4 813 B12R0.101 C=CCOC(=O)CO[C@@H](C)CCC afe5cd3976817534c5c5ae698da7f2c6 [0,1,0,0,0,0|1,0,0]=2 814 B12R0.101 C=CCOC(=O)CO[C@@H](C)COC 31acc54bb5b58589c18a579302927be1 [0,1,0,0,0,0|2,0,0]=3 815 B12R0.101 C=CCOC(=O)CO[C@H](C)CC#N ada209995a63f5b0c0b7106ea9894fa8 [0,1,0,0,0,0|2,0,1]=4 816 B12R0.101 C=CCOC(=O)CO[C@H](C)CC=C 8e4c669b4853c70c9a029c8fcda20d10 [0,1,0,0,0,0|1,0,2]=4 817 B12R0.101 C=CCOC(=O)CO[C@H](C)CCC fa4a3d063ac6380a5c04ca2ac7c1e740 [0,1,0,0,0,0|1,0,0]=2 818 B12R0.101 C=CCOC(=O)CO[C@H](C)COC 01139bc5c1fc67abf54c768c64ce5f27 [0,1,0,0,0,0|2,0,0]=3 819 B12R0.101 CCCC(O)CNC(=O)CCC=O 3a15c06586915bab067c962f87246ef0 [0,1,0,0,0,0|3,0,0]=4 820 B12R0.101 CCCNC(=O)CC[C@H](C)CCC d531a1b95b09d308f26eccca57db6560 [0,1,0,0,0,0|1,0,2]=4 821 B12R0.101 CCCOC(=O)CNC(C)CCC 746f183b42d85a347accbb81d0eb0800 [0,1,0,0,0,0|1,0,2]=4 822 B12R0.101 CCCOC(=O)CN[C@@H](C)CCC d4cf9b1de02fd8ec729e20ec2db9f89a [0,1,0,0,0,0|1,0,2]=4 823 B12R0.101 CCCOC(=O)COC(C)CCC fddb2efa9c62def952a18283c19cd5c6 [0,1,0,0,0,0|1,0,2]=4 824 B12R0.101 CCCOC(=O)CO[C@@H](C)CCC fc6f24d65b222cc1dd99460d89600c2b [0,1,0,0,0,0|1,0,2]=4 825 B12R0.101 CCCOC(=O)CO[C@H](C)CCC 1710f81efb242596dffd6ea3c319eb94 [0,1,0,0,0,0|1,0,2]=4 826 B12R0.101 CCC[C@@H](C)CCC(=O)NCC#N ea906726ac1e6ce05bbbb42f666c4566 [0,1,0,0,0,0|2,0,1]=4 827 B12R0.101 CCC[C@@H](C)CCC(=O)NCCBr 34e6c0de5287a1d51a3697f4c1313a02 [0,1,0,0,0,0|2,0,1]=4 828 B12R0.101 CCC[C@@H](C)CCC(=O)NCCF 118f60baa4650ac65ef257f34051f526 [0,1,0,0,0,0|2,0,1]=4 829 B12R0.101 CCC[C@@H](C)CCC(=O)NCCI 22e88e46f0d7e2e14f0f563caa81d00f [0,1,0,0,0,0|2,0,1]=4 830 B12R0.101 CCC[C@@H](C)CCC(=O)NCCO a565350b70a7bb449de1a9b5caca248b [0,1,0,0,0,0|2,0,1]=4 831 B12R0.101 CCC[C@@H](C)CCC(=O)NCCS d2c41f0e646eb3644fd754f2f6f42b5b [0,1,0,0,0,0|2,0,1]=4 832 B12R0.102 C#CCNC(=O)CCCC(C)CC 8571b49d30b5a27a513112efd7700c3d [0,1,0,0,0,0|1,0,2]=4 833 B12R0.102 C=C/C=C/C(=O)NCCC(C)CC 1e628fc2cddad82c97d13f5a6fc531f0 [0,1,0,0,0,0|2,0,1]=4 834 B12R0.102 C=C/C=C\C(=O)NCCC(C)CC 85bdf0823c64bca1caead4376f92ff6d [0,1,0,0,0,0|2,0,1]=4 835 B12R0.102 C=CC=CC(=O)NCCC(C)CC c8d7c9539e12106e016d40279d158c2e [0,1,0,0,0,0|2,0,1]=4 836 B12R0.102 C=CCCC(=O)NCCC(C)CC 6eada0756c2663cfacb47b5f3bc0af6c [0,1,0,0,0,0|2,0,0]=3 837 B12R0.102 C=CCCC(=O)NCCC(C)CO a44082c638c98d49c44969bac1749ede [0,1,0,0,0,0|3,0,0]=4 838 B12R0.102 C=CCCC(=O)NCCC(O)CO c80ba0c72a8707c437d0155cf959b7a7 [0,1,0,0,0,0|3,0,0]=4 839 B12R0.102 C=CCCC(=O)NCC[C@@H](C)CO 8311f481453a5a68852f298765daff19 [0,1,0,0,0,0|3,0,0]=4 840 B12R0.102 C=CCNC(=O)CCNC(C)CC c7168e2f3003168af91812e08fb6efbd [0,1,0,0,0,0|2,0,0]=3 841 B12R0.102 C=CCNC(=O)CCNC(C)CO 748051f24400cc56b47ca69a65106844 [0,1,0,0,0,0|3,0,0]=4 842 B12R0.102 C=CCNC(=O)CCN[C@@H](C)CC c0bfa73699ea7bbf5fcca63cdc1e5a48 [0,1,0,0,0,0|2,0,0]=3 843 B12R0.102 C=CCNC(=O)CCN[C@@H](C)CO 06de143b9a2dd2667bea844ffd667df7 [0,1,0,0,0,0|3,0,0]=4 844 B12R0.102 C=CCNC(=O)CCN[C@H](C)CC 118631d06aa2103a6b67b187daf62e5a [0,1,0,0,0,0|2,0,0]=3 845 B12R0.102 C=CCNC(=O)CCN[C@H](C)CO f2cc2944e6621eee82ed7f29ce8a32c8 [0,1,0,0,0,0|3,0,0]=4 846 B12R0.102 C=CCNC(=O)CCOC(C)CC bb07f3ab2aeb3f55d6cccac175fb1c90 [0,1,0,0,0,0|2,0,0]=3 847 B12R0.102 C=CCNC(=O)CCOC(C)CF 0535794915681bbc6649d8b71d34773b [0,1,0,0,0,0|3,0,0]=4 848 B12R0.102 C=CCNC(=O)CCOC(C)CS 1bbd3ee77804b3c31409174d7e7210dc [0,1,0,0,0,0|3,0,0]=4 849 B12R0.102 C=CCNC(=O)CCO[C@@H](C)CC 27ae410689ff56a75012a54e8c6be5a0 [0,1,0,0,0,0|2,0,0]=3 850 B12R0.102 C=CCNC(=O)CCO[C@H](C)CC b1fa8068442d5f0e801393e29e7808f5 [0,1,0,0,0,0|2,0,0]=3 851 B12R0.102 C=CCNC(=O)CCO[C@H](C)CS 6308f11718ea3b1f0c3a0779f9856e1f [0,1,0,0,0,0|3,0,0]=4 852 B12R0.102 C=CCNC(=O)CNCC(Br)CBr abcffb247a2e6eea721f2edb431be681 [0,1,0,0,0,0|3,0,0]=4 853 B12R0.102 C=CCNC(=O)CNCC(C)CC 561f8d89e3a93498a80d277972f760c7 [0,1,0,0,0,0|2,0,0]=3 854 B12R0.102 C=CCNC(=O)CNCC(C)CO 824b6bdf2d7b649b1e1fee12534564eb [0,1,0,0,0,0|3,0,0]=4 855 B12R0.102 C=CCNC(=O)CNCC(F)CO f4a1e6377dd0177aea074acf338b462a [0,1,0,0,0,0|3,0,0]=4 856 B12R0.102 C=CCNC(=O)CNCC(O)CC 904da415bff2c06cadd38ad85deb0304 [0,1,0,0,0,0|2,0,0]=3 857 B12R0.102 C=CCNC(=O)CNCC(O)CO 1c5b89bb5c5ce966fcba4875040bdffe [0,1,0,0,0,0|3,0,0]=4 858 B12R0.102 C=CCNC(=O)CNC[C@@H](C)CC ddd74a7f5dfba005c89ff77a2571f0a8 [0,1,0,0,0,0|2,0,0]=3 859 B12R0.102 C=CCNC(=O)CNC[C@@H](C)OC 5d1f0ef9fc7bb0d82035e576ab776c17 [0,1,0,0,0,0|3,0,0]=4 860 B12R0.102 C=CCNC(=O)CNC[C@@H](F)CO ca0694e8b7965504992411c96007e1fc [0,1,0,0,0,0|3,0,0]=4 861 B12R0.102 C=CCNC(=O)CNC[C@@H](O)CO 0127f0aaccc0271ee184005ee90465d1 [0,1,0,0,0,0|3,0,0]=4 862 B12R0.102 C=CCNC(=O)CNC[C@H](C)CO 3635462863697eed0d3b9885e45f8461 [0,1,0,0,0,0|3,0,0]=4 863 B12R0.102 C=CCNC(=O)CNC[C@H](C)OC ce83ad82b58b6ba4456c1ab78125ba03 [0,1,0,0,0,0|3,0,0]=4 864 B12R0.102 C=CCNC(=O)CNC[C@H](F)CO 66fd4e51bb79a746622c3add1efb7449 [0,1,0,0,0,0|3,0,0]=4 865 B12R0.102 C=CCNC(=O)CNC[C@H](O)CC 6b61a1c8918b7ac4c8b343956be095a9 [0,1,0,0,0,0|2,0,0]=3 866 B12R0.102 C=CCNC(=O)CNC[C@H](O)CO d642ca0c0804c7c530500a20fe6aa416 [0,1,0,0,0,0|3,0,0]=4 867 B12R0.102 C=CCNC(=O)COCC(=C)CC 73aa46531f813d321bf3ce43d5a447f9 [0,1,0,0,0,0|2,0,1]=4 868 B12R0.102 C=CCNC(=O)COCC(=O)CC febe24143796e2355d3f8b206f3730bc [0,1,0,0,0,0|2,0,1]=4 869 B12R0.102 C=CCNC(=O)COCC(Br)CBr 29e356e1dff63e27aa1344cb11086f92 [0,1,0,0,0,0|3,0,0]=4 870 B12R0.102 C=CCNC(=O)COCC(C)CC e639d9976499c83302f70ca9620af837 [0,1,0,0,0,0|2,0,0]=3 871 B12R0.102 C=CCNC(=O)COCC(C)OC bee7805d62e049c4cef1d42dbe487b2e [0,1,0,0,0,0|3,0,0]=4 872 B12R0.102 C=CCNC(=O)COCC(Cl)CCl fb5be59279920a1b16a7d7ce6130feeb [0,1,0,0,0,0|3,0,0]=4 873 B12R0.102 C=CCNC(=O)COCC(O)CO be0a62f68057ca5903b5fe1dbb2cd2a9 [0,1,0,0,0,0|3,0,0]=4 874 B12R0.102 C=CCNC(=O)COCC(S)CS a5b43aff4caac5044b7394a5f3092fc9 [0,1,0,0,0,0|3,0,0]=4 875 B12R0.102 C=CCNC(=O)COC[C@@H](C)CC 508597529a649b2a2f3bfbcd79598755 [0,1,0,0,0,0|2,0,0]=3 876 B12R0.102 C=CCNC(=O)COC[C@@H](C)OC ec4d6795d514685a9885309b33ba7b78 [0,1,0,0,0,0|3,0,0]=4 877 B12R0.102 C=CCNC(=O)COC[C@@H](O)CO 5879a72392485a3fed868b46c1e19033 [0,1,0,0,0,0|3,0,0]=4 878 B12R0.102 C=CCNC(=O)COC[C@H](C)CC ca443fbf469277084c93bc6c270c8c08 [0,1,0,0,0,0|2,0,0]=3 879 B12R0.102 C=CCNC(=O)COC[C@H](C)OC ba8b3aeb1603a9655fcf6d7138ea5451 [0,1,0,0,0,0|3,0,0]=4 880 B12R0.102 C=CCNC(=O)COC[C@H](O)CO ee1062a97c3e75b93abc071a4e0263cf [0,1,0,0,0,0|3,0,0]=4 881 B12R0.102 C=CCOC(=O)CCCN(C)CC f2ce82c51ebff3a52f6bb54e03afea60 [0,1,0,0,0,0|1,0,0]=2 882 B12R0.102 C=CCOC(=O)CNCC(=O)NC 9b2f82432181c13d8a2778364131070c [0,1,0,0,0,0|2,0,1]=4 883 B12R0.102 C=CCOC(=O)CNCC(=O)OC c4420c0d54fe1cff0bfecf256514349b [0,1,0,0,0,0|2,0,1]=4 884 B12R0.102 C=CCOC(=O)CNCC(Br)CBr b477befb75d26a0618cf3f78da931776 [0,1,0,0,0,0|2,0,0]=3 885 B12R0.102 C=CCOC(=O)CNCC(C)C#N bbdfd781428260386126a362a0bb5c00 [0,1,0,0,0,0|2,0,1]=4 886 B12R0.102 C=CCOC(=O)CNCC(C)CC d14332a0858f82f5572c8bb34779f6a6 [0,1,0,0,0,0|1,0,0]=2 887 B12R0.102 C=CCOC(=O)CNCC(C)CO a246e72af48498d443da4f6946165dd3 [0,1,0,0,0,0|2,0,0]=3 888 B12R0.102 C=CCOC(=O)CNCC(F)CO 0335da6ae200b015efeb66bf4d7b403a [0,1,0,0,0,0|2,0,0]=3 889 B12R0.102 C=CCOC(=O)CNCC(O)C=C 019dab429e3c890f89df87e86fc96db3 [0,1,0,0,0,0|1,0,2]=4 890 B12R0.102 C=CCOC(=O)CNCC(O)CC 2ddfb9057d147e24c7ee6d8b1670e315 [0,1,0,0,0,0|1,0,0]=2 891 B12R0.102 C=CCOC(=O)CNCC(O)CO fb9ab2a2dd883f0baba679e6762d5f5a [0,1,0,0,0,0|2,0,0]=3 892 B12R0.102 C=CCOC(=O)CNC[C@@H](C)CC 65adc6b5478bbee0b01dec00c886a4ac [0,1,0,0,0,0|1,0,0]=2 893 B12R0.102 C=CCOC(=O)CNC[C@@H](C)OC d569c09b4c004e509c4a6e37fa4d1217 [0,1,0,0,0,0|2,0,0]=3 894 B12R0.102 C=CCOC(=O)CNC[C@@H](F)CO cc4819c2e755e86d604e953d2675a193 [0,1,0,0,0,0|2,0,0]=3 895 B12R0.102 C=CCOC(=O)CNC[C@@H](O)CO 2f1632e123a0ca97789d736c942bea1a [0,1,0,0,0,0|2,0,0]=3 896 B12R0.102 C=CCOC(=O)CNC[C@H](C)CO 629d411df619dd396e1c026702795e00 [0,1,0,0,0,0|2,0,0]=3 897 B12R0.102 C=CCOC(=O)CNC[C@H](C)OC bff5eee81ba818d7a631700eb3192960 [0,1,0,0,0,0|2,0,0]=3 898 B12R0.102 C=CCOC(=O)CNC[C@H](F)CO 0b1b48bedb27d686d0fae98e69f86837 [0,1,0,0,0,0|2,0,0]=3 899 B12R0.102 C=CCOC(=O)CNC[C@H](O)CC c33136841b2978a09647ebfa6dbefd17 [0,1,0,0,0,0|1,0,0]=2 900 B12R0.102 C=CCOC(=O)CNC[C@H](O)CO b1e8aa2f88150e4e99c3213247294f96 [0,1,0,0,0,0|2,0,0]=3 901 B12R0.102 C=CCOC(=O)COCC(=O)CC 4e4d74f43ad1208fb0dbe72a165c10fe [0,1,0,0,0,0|1,0,1]=3 902 B12R0.102 C=CCOC(=O)COCC(=O)NC 7751003486815cefa1fab05fcdf0d560 [0,1,0,0,0,0|2,0,1]=4 903 B12R0.102 C=CCOC(=O)COCC(=O)OC 4cbdf07d3f285196c8ef585367811f7b [0,1,0,0,0,0|2,0,1]=4 904 B12R0.102 C=CCOC(=O)COCC(Br)CBr 9f80c8c0b3d4c074add17cd8437d794b [0,1,0,0,0,0|2,0,0]=3 905 B12R0.102 C=CCOC(=O)COCC(C)C#N e16a399005f6dbd0c0aaf2d814ce9482 [0,1,0,0,0,0|2,0,1]=4 906 B12R0.102 C=CCOC(=O)COCC(C)C=C 1f93fbe72ea8142c1f82f653757b48d9 [0,1,0,0,0,0|1,0,2]=4 907 B12R0.102 C=CCOC(=O)COCC(C)CC 7994d8e4ba4eb324aeb8c26b6e6289ab [0,1,0,0,0,0|1,0,0]=2 908 B12R0.102 C=CCOC(=O)COCC(C)OC 730731eda123384d12ae4abb5dff59a2 [0,1,0,0,0,0|2,0,0]=3 909 B12R0.102 C=CCOC(=O)COCC(Cl)CCl 36a5cddacb6eac6155de690441eed35d [0,1,0,0,0,0|2,0,0]=3 910 B12R0.102 C=CCOC(=O)COCC(S)CS bc6b15d8b320f760ad3908794890ff73 [0,1,0,0,0,0|2,0,0]=3 911 B12R0.102 C=CCOC(=O)COC[C@@H](C)CC edbf3f8662d38993aee5af330cc6af48 [0,1,0,0,0,0|1,0,0]=2 912 B12R0.102 C=CCOC(=O)COC[C@@H](C)OC e47e49a04fc046364fc5453bf26d12e5 [0,1,0,0,0,0|2,0,0]=3 913 B12R0.102 C=CCOC(=O)COC[C@H](C)CC 589e583079ff55fd700f748a0e87d8b9 [0,1,0,0,0,0|1,0,0]=2 914 B12R0.102 C=CCOC(=O)COC[C@H](C)OC 1a6791bf3e74688143cb9de12ecc18f1 [0,1,0,0,0,0|2,0,0]=3 915 B12R0.102 CCC(C)CCCC(=O)NCC#N 81ce809288d57853935f6d6f30cd52d8 [0,1,0,0,0,0|2,0,1]=4 916 B12R0.102 CCC(C)CCCC(=O)NCCBr 095a1cff7185270e0838885293e7d521 [0,1,0,0,0,0|2,0,1]=4 917 B12R0.102 CCC(C)CCCC(=O)NCCF 47846ade57715c14591e16ac69af9dea [0,1,0,0,0,0|2,0,1]=4 918 B12R0.102 CCC(C)CCCC(=O)NCCI dd3ab5b3f64526ff1f14989c08f7b55c [0,1,0,0,0,0|2,0,1]=4 919 B12R0.102 CCC(C)CCCC(=O)NCCO 0b4f42a8a2cf5341f8036296e8ebc3cd [0,1,0,0,0,0|2,0,1]=4 920 B12R0.102 CCC(C)CCCC(=O)NCCS 0a52fff91e0587ad6f9074c05b667950 [0,1,0,0,0,0|2,0,1]=4 921 B12R0.102 CCC(C)CCNC(=O)CCC=O f4605a8137dd858875c65df9749a1746 [0,1,0,0,0,0|3,0,0]=4 922 B12R0.102 CCCNC(=O)CCCC(C)CC 5f07022bdfedacfc51c3a7f7a1097226 [0,1,0,0,0,0|1,0,2]=4 923 B12R0.102 CCCOC(=O)CCOC(C)CC 19e0038b42890ca21ea46c8192401969 [0,1,0,0,0,0|1,0,2]=4 924 B12R0.102 CCCOC(=O)CNCC(C)CC 1132b7f89ad758024981f29495d4d279 [0,1,0,0,0,0|1,0,2]=4 925 B12R0.102 CCCOC(=O)CNCC(O)CC 20d518a90b8ef2ce518441cf22669142 [0,1,0,0,0,0|1,0,2]=4 926 B12R0.102 CCCOC(=O)CNC[C@@H](C)CC 96a55438ede02281d7b7e05fcf0b8b2e [0,1,0,0,0,0|1,0,2]=4 927 B12R0.102 CCCOC(=O)CNC[C@H](O)CC 379004329bd17066496d6a36f2d4ca0f [0,1,0,0,0,0|1,0,2]=4 928 B12R0.102 CCCOC(=O)COCC(C)CC 627027b241f3196bd7925a25b615e010 [0,1,0,0,0,0|1,0,2]=4 929 B12R0.102 CCCOC(=O)COC[C@@H](C)CC 58c93d1c7873f31ad88efb43266d594b [0,1,0,0,0,0|1,0,2]=4 930 B12R0.102 CCCOC(=O)COC[C@H](C)CC e36ca0e50b404bc3448d25ae6bb9dc7e [0,1,0,0,0,0|1,0,2]=4 931 B12R0.103 C#CCCN(C)CC(=O)OCC=C b8302f3f6fbc95898d732822e3c77e46 [0,1,0,0,0,0|1,0,2]=4 932 B12R0.103 C#CCNC(=O)CC(C)CCCC b7a63b75486d3754c03f49db943f649c [0,1,0,0,0,0|1,0,2]=4 933 B12R0.103 C#CCNC(=O)CC(O)CCCC 3b343ef1ae05447da7eebb07bff75fad [0,1,0,0,0,0|1,0,2]=4 934 B12R0.103 C#CCNC(=O)C[C@@H](C)CCCC a9601646d07e70a5f458071f19c5f846 [0,1,0,0,0,0|1,0,2]=4 935 B12R0.103 C#CCNC(=O)C[C@H](C)CCCC 1f264298190baf8ca0eb94061dff3775 [0,1,0,0,0,0|1,0,2]=4 936 B12R0.103 C=C/C=C/C(=O)NC(C)CCCC 2c336068fece939f9ed2dba7245eb2a4 [0,1,0,0,0,0|2,0,1]=4 937 B12R0.103 C=C/C=C/C(=O)N[C@H](C)CCCC 2f0a3e06d0cfdd5f72050029b7770a32 [0,1,0,0,0,0|2,0,1]=4 938 B12R0.103 C=C/C=C\C(=O)NC(C)CCCC d7a437e5a13a57af0ae659878c37bbe1 [0,1,0,0,0,0|2,0,1]=4 939 B12R0.103 C=C/C=C\C(=O)N[C@H](C)CCCC 6879b24f600dc8978b76c0513156428a [0,1,0,0,0,0|2,0,1]=4 940 B12R0.103 C=CC=CC(=O)NC(C)CCCC 7c75d85ed535fabf9bcd2a7cc92895a7 [0,1,0,0,0,0|2,0,1]=4 941 B12R0.103 C=CC=CC(=O)N[C@H](C)CCCC e9725f2ff91dd50f7733f6e63146b269 [0,1,0,0,0,0|2,0,1]=4 942 B12R0.103 C=CCCC(=O)NC(C)CCCC fc5f1180fdb94ef0a54dfeb95ad1d99c [0,1,0,0,0,0|2,0,0]=3 943 B12R0.103 C=CCCC(=O)NC(C)CCCO d4be2285281710d48f1372d0efe64719 [0,1,0,0,0,0|3,0,0]=4 944 B12R0.103 C=CCCC(=O)N[C@H](C)CCCC ccd4d509aec37cad66f737d298e8834d [0,1,0,0,0,0|2,0,0]=3 945 B12R0.103 C=CCCC(=O)N[C@H](C)CCCO 32570734079babe7d0d24a483fd13733 [0,1,0,0,0,0|3,0,0]=4 946 B12R0.103 C=CCCN(C)CC(=O)OCC=C 440615d2f76594301acd170b1d01a9c0 [0,1,0,0,0,0|1,0,2]=4 947 B12R0.103 C=CCNC(=O)CN(C)CCCC 344e6cc665a02b3f6367fbd6d764d5a2 [0,1,0,0,0,0|2,0,0]=3 948 B12R0.103 C=CCNC(=O)CN(C)CCCO ef64d89163420ac60477ae0966e9cbd2 [0,1,0,0,0,0|3,0,0]=4 949 B12R0.103 C=CCNC(=O)CN(C)CCOC 88f8b992f94234dacc926731df3f94b9 [0,1,0,0,0,0|3,0,0]=4 950 B12R0.103 C=CCNC(=O)CN(C)CCSC 663940ec6586a2f1ea058d3d8b4b6e5d [0,1,0,0,0,0|3,0,0]=4 951 B12R0.103 C=CCOC(=O)CN(C)CCC#N d466eef4289fbb11cc96c4351eb4dd60 [0,1,0,0,0,0|2,0,1]=4 952 B12R0.103 C=CCOC(=O)CN(C)CCCC 1cf2f7563923e24efa98fcd0c350b64e [0,1,0,0,0,0|1,0,0]=2 953 B12R0.103 C=CCOC(=O)CN(C)CCCO 0cf51ba20314fbb8cf26fccad74fdf43 [0,1,0,0,0,0|2,0,0]=3 954 B12R0.103 C=CCOC(=O)CN(C)CCOC 1507559d505d73f12d56eca627cb54f2 [0,1,0,0,0,0|2,0,0]=3 955 B12R0.103 C=CCOC(=O)CN(C)CCON 629acb4cb42018fa20c26e5f0f3c556e [0,1,0,0,0,0|3,0,0]=4 956 B12R0.103 C=CCOC(=O)CN(C)CCSC 3f562bca861c840b8716183d7a5c894a [0,1,0,0,0,0|2,0,0]=3 957 B12R0.103 CCCCC(C)CC(=O)NCC#N 393caca4f38912799f9d03b199abcb2c [0,1,0,0,0,0|2,0,1]=4 958 B12R0.103 CCCCC(C)CC(=O)NCCBr 414de351c6780cdd01ff75434b88dc2a [0,1,0,0,0,0|2,0,1]=4 959 B12R0.103 CCCCC(C)CC(=O)NCCC 25e4d4c07cd918a8386f738401ff4adf [0,1,0,0,0,0|1,0,2]=4 960 B12R0.103 CCCCC(C)CC(=O)NCCF 2e0b6d119fe6fda531136d009be04f2c [0,1,0,0,0,0|2,0,1]=4 961 B12R0.103 CCCCC(C)CC(=O)NCCI 854175e829d6db77217f1d09b78cdac3 [0,1,0,0,0,0|2,0,1]=4 962 B12R0.103 CCCCC(C)CC(=O)NCCO 13c5c8072755768e3b5dc9bf5d1f89d9 [0,1,0,0,0,0|2,0,1]=4 963 B12R0.103 CCCCC(C)CC(=O)NCCS a0f5d0b4a7595bbfa9aa2a86ec29b88b [0,1,0,0,0,0|2,0,1]=4 964 B12R0.103 CCCCC(C)NC(=O)CCC=O fda13130ce24398d9f2228c943027e5b [0,1,0,0,0,0|3,0,0]=4 965 B12R0.103 CCCCC(O)CC(=O)NCC#N 56126f747beaf8a34515088ae38b7436 [0,1,0,0,0,0|2,0,1]=4 966 B12R0.103 CCCCC(O)CC(=O)NCCBr e8c258a99e2dc615628b9cfc8b457af5 [0,1,0,0,0,0|2,0,1]=4 967 B12R0.103 CCCCC(O)CC(=O)NCCC d0863715b5f61ba0b1418c513f92fd1a [0,1,0,0,0,0|1,0,2]=4 968 B12R0.103 CCCCC(O)CC(=O)NCCF d04ee494b1e8184f34d7dbc967ef4d27 [0,1,0,0,0,0|2,0,1]=4 969 B12R0.103 CCCCC(O)CC(=O)NCCI 8b32d9d2010832731690b6ba76e07b11 [0,1,0,0,0,0|2,0,1]=4 970 B12R0.103 CCCCC(O)CC(=O)NCCO c2fa675c277bb86cbf9eb21351f0c72b [0,1,0,0,0,0|2,0,1]=4 971 B12R0.103 CCCCC(O)CC(=O)NCCS 0bd29af23d6a0abc5be7b0f5a37c20c3 [0,1,0,0,0,0|2,0,1]=4 972 B12R0.103 CCCCN(C)CC(=O)OCCC d0da8728310c46cdfa2d69fd2f4c442f [0,1,0,0,0,0|1,0,2]=4 973 B12R0.103 CCCC[C@@H](C)CC(=O)NCC#N 4c9c24c8fe4b676a3ff8b69fead256a0 [0,1,0,0,0,0|2,0,1]=4 974 B12R0.103 CCCC[C@@H](C)CC(=O)NCCBr f8038951522347565782ac411c94c553 [0,1,0,0,0,0|2,0,1]=4 975 B12R0.103 CCCC[C@@H](C)CC(=O)NCCC 25421a357e45bf06e66255cbce313759 [0,1,0,0,0,0|1,0,2]=4 976 B12R0.103 CCCC[C@@H](C)CC(=O)NCCF 5832c355ae87b273fd25e0347b862ac9 [0,1,0,0,0,0|2,0,1]=4 977 B12R0.103 CCCC[C@@H](C)CC(=O)NCCI d86704efe4c77f457b1bac303018462f [0,1,0,0,0,0|2,0,1]=4 978 B12R0.103 CCCC[C@@H](C)CC(=O)NCCO 3a6c14a322227a91715eb7ab5967032f [0,1,0,0,0,0|2,0,1]=4 979 B12R0.103 CCCC[C@@H](C)CC(=O)NCCS 4836e7826ae779e4b9974c33edb12352 [0,1,0,0,0,0|2,0,1]=4 980 B12R0.103 CCCC[C@@H](C)NC(=O)CCC=O d1daf8da6a47545caafc8f37b157ae23 [0,1,0,0,0,0|3,0,0]=4 981 B12R0.103 CCCC[C@H](C)CC(=O)NCC#N 99d64dc30472c096e84ca3aeff7721a6 [0,1,0,0,0,0|2,0,1]=4 982 B12R0.103 CCCC[C@H](C)CC(=O)NCCBr 19bd1e9cc08c4f7d37abe90597dad0ec [0,1,0,0,0,0|2,0,1]=4 983 B12R0.103 CCCC[C@H](C)CC(=O)NCCC bd9b6b0af6620502b5af4f6f7ee09fd7 [0,1,0,0,0,0|1,0,2]=4 984 B12R0.103 CCCC[C@H](C)CC(=O)NCCF b1cfa1c2b2dc711969f45622ca41984d [0,1,0,0,0,0|2,0,1]=4 985 B12R0.103 CCCC[C@H](C)CC(=O)NCCI 5968c58967b5536607ec38eb4e78be79 [0,1,0,0,0,0|2,0,1]=4 986 B12R0.103 CCCC[C@H](C)CC(=O)NCCO cfa1c525f88fa7cdff85088808c9d2e9 [0,1,0,0,0,0|2,0,1]=4 987 B12R0.103 CCCC[C@H](C)CC(=O)NCCS 07f7a4a4c6dcd7cc04ef6733e7b00330 [0,1,0,0,0,0|2,0,1]=4 988 B12R0.111 C=CC(CCCCCC)OCC=O 40f902f76ad85c02c16ce8ee717be939 [0,1,0,0,0,0|2,0,1]=4 989 B12R0.111 C=CCOC(C=C)CCCCCC 59f96c5abaabda96a3a96424c543e885 [0,1,0,0,0,0|1,0,1]=3 990 B12R0.111 C=CCOC(CC)CCCCCC 0fea06fc190767a024f9c3004ad03dc2 [0,1,0,0,0,0|1,0,1]=3 991 B12R0.111 CCCCCCC(CC)OCC=O 887041733aea53803b4117de979560a4 [0,1,0,0,0,0|2,0,1]=4 992 B12R0.113 C#CC(C)NC(=O)CCCCCC a1700bc0ba77e9007859a064986a9dfa [0,1,0,0,0,0|1,0,2]=4 993 B12R0.113 C#CCCCCC(=O)NC(C)C=C 05b3549d88e26c61117ffff79e4d46ce [0,1,0,0,0,0|1,0,2]=4 994 B12R0.113 C#C[C@@H](C)NC(=O)CCCCCC 99d8356edfc7434ac1aebe5f45934bd9 [0,1,0,0,0,0|1,0,2]=4 995 B12R0.113 C#C[C@H](C)NC(=O)CCCCCC 1a5f15c025d20e17fd2ce367dc90a9a9 [0,1,0,0,0,0|1,0,2]=4 996 B12R0.113 C=CC(C)CC(=O)NCCCCC 0927056d14cb9f102ce13f4eb5f4e0a9 [0,1,0,0,0,0|2,0,0]=3 997 B12R0.113 C=CC(C)CC(=O)NCCCCCl d5f1c8c3e21981f3ed6de29bb94aa212 [0,1,0,0,0,0|3,0,0]=4 998 B12R0.113 C=CC(C)CC(=O)NCCCCO b7c1203592856f645cb53eb536c3ab74 [0,1,0,0,0,0|3,0,0]=4 999 B12R0.113 C=CC(C)CC(=O)NCCCCS ce6b6f28469ca0160d603b6a2736d0c0 [0,1,0,0,0,0|3,0,0]=4 1000 B12R0.113 C=CC(C)CC(=O)NCCCOC 711545887cfc69f7a04eed336bbe74f6 [0,1,0,0,0,0|3,0,0]=4 1001 B12R0.113 C=CC(C)CC(=O)NCCCSC 97267bc797aa5f7e8dd097557c675f34 [0,1,0,0,0,0|3,0,0]=4 1002 B12R0.113 C=CC(C)CC(=O)NCCOCC 958d32d29c5ecd587bdd5ea9491cd97d [0,1,0,0,0,0|3,0,0]=4 1003 B12R0.113 C=CC(C)CC(=O)NCCSCC 73b5f3936720c4bcaeba171a2ce8eff9 [0,1,0,0,0,0|3,0,0]=4 1004 B12R0.113 C=CC(C)NC(=O)/C=C/CCCC e66036a0a0d4d8003e15718a813cfd48 [0,1,0,0,0,0|1,0,2]=4 1005 B12R0.113 C=CC(C)NC(=O)C#CCCCC 8ead10e59fb864c96317faabb1547e24 [0,1,0,0,0,0|1,0,2]=4 1006 B12R0.113 C=CC(C)NC(=O)C/C=C/CCC 52700462688126ab0364c353beafa6fe [0,1,0,0,0,0|1,0,2]=4 1007 B12R0.113 C=CC(C)NC(=O)C=CCCCC 33a688b081f231235473d82de108a9ab [0,1,0,0,0,0|1,0,2]=4 1008 B12R0.113 C=CC(C)NC(=O)CCC/C=C/C 73ba0ce1aa006f7aa911eaabc9340b93 [0,1,0,0,0,0|1,0,2]=4 1009 B12R0.113 C=CC(C)NC(=O)CCCCC=O e3039be5dd225ad4b53cc3a46b4efbb2 [0,1,0,0,0,0|2,0,1]=4 1010 B12R0.113 C=CC(C)NC(=O)CCCCCC ef49714febcbadeeffd189cd962fa83f [0,1,0,0,0,0|1,0,0]=2 1011 B12R0.113 C=CC(C)NC(=O)CCCCCF e1a02bb6b19590b16a1b221238000bca [0,1,0,0,0,0|2,0,0]=3 1012 B12R0.113 C=CC(C)NC(=O)CCCCCO ca1f1665cc1be496555cc163cb77f1de [0,1,0,0,0,0|2,0,0]=3 1013 B12R0.113 C=CC(C)NC(=O)CCCCCS 4878713dfcb23a69fedfa127692540c3 [0,1,0,0,0,0|2,0,0]=3 1014 B12R0.113 C=CC(C)NC(=O)CCCSSC ae9c34d0438e3456fbfe11f5003ea349 [0,1,0,0,0,0|3,0,0]=4 1015 B12R0.113 C=CC(C)NC(=O)CCOCCC df2b973659ee6164f3652e026d61855f [0,1,0,0,0,0|2,0,0]=3 1016 B12R0.113 C=CC(C)NC(=O)CCOCCO 4b350e898c3a999eae6d7e2899988a83 [0,1,0,0,0,0|3,0,0]=4 1017 B12R0.113 C=CC(C)NC(=O)CCOCCS f6c8c8c9e9b40a71ebd13ffe690d7a2d [0,1,0,0,0,0|3,0,0]=4 1018 B12R0.113 C=CC(C)NC(=O)COCCCC c39920c26a0d56f8378a568df930f259 [0,1,0,0,0,0|2,0,0]=3 1019 B12R0.113 C=CC(C)NC(=O)COCCOC 5677f7a0e7c450a0a06e26192fd1d921 [0,1,0,0,0,0|3,0,0]=4 1020 B12R0.113 C=CC(C)NC(=O)COCCSC bbfd957cde562dbf553eaeff734480a9 [0,1,0,0,0,0|3,0,0]=4 1021 B12R0.113 C=CC(C)NC(=O)CSCCCC 06babdddb91ae399d424136bfbe9c769 [0,1,0,0,0,0|2,0,0]=3 1022 B12R0.113 C=CC(C)NC(=O)CSCCOC a49937f8cbe504748d94c5b9f34ea967 [0,1,0,0,0,0|3,0,0]=4 1023 B12R0.113 C=CC(C)NC(=O)NCCCCC 5e25b0c627b1239c1d2704a0646742f1 [0,1,0,0,0,0|2,0,0]=3 1024 B12R0.113 C=CC(C)NC(=O)NCCCCN 64ea11f43bc90fe5581966cb55eda00d [0,1,0,0,0,0|3,0,0]=4 1025 B12R0.113 C=CC(C)NC(=O)NCCCCO 092b5ae0eb44fd1fa5386abd0b627f08 [0,1,0,0,0,0|3,0,0]=4 1026 B12R0.113 C=CC(C)NC(=O)NCCCCS 31c38a51c5b9e7cf6fac12834607e918 [0,1,0,0,0,0|3,0,0]=4 1027 B12R0.113 C=CC(C)NC(=O)NCCCOC ad1601d2b7cc8e486081908c8f5aaa20 [0,1,0,0,0,0|3,0,0]=4 1028 B12R0.113 C=CC(C)NC(=O)NCCCSC cb226d8500dccdc0c14fccff9abfd6f7 [0,1,0,0,0,0|3,0,0]=4 1029 B12R0.113 C=CC(C)NC(=O)NCCOCC 4cce0005be7b91c5999a276d91b9819a [0,1,0,0,0,0|3,0,0]=4 1030 B12R0.113 C=CC(C)NC(=O)NCCSCC 8ec73920b3bebf6e44e8d6c7c3bcb7c1 [0,1,0,0,0,0|3,0,0]=4 1031 B12R0.113 C=CC(C)NC(=S)NCCCCC 9f10898d8e3be98f31bff7d92abe53b7 [0,1,0,0,0,0|2,1,0]=4 1032 B12R0.113 C=CC(C)NC(C)CCCCCC e7fd72511f5eeda84e112bc00ed9f722 [0,1,0,0,0,0|2,0,1]=4 1033 B12R0.113 C=CC(C)N[C@@H](C)CCCCCC 83725b10178cacd253316a6ada9f4b50 [0,1,0,0,0,0|2,0,1]=4 1034 B12R0.113 C=CC(C)N[C@H](C)CCCCCC ea3c6d0fc553ea3e3e0167d5371f36cc [0,1,0,0,0,0|2,0,1]=4 1035 B12R0.113 C=CC(C)OC(C)CCCCCC 8d36554c16fc85ff3504bd21445ff76d [0,1,0,0,0,0|1,0,1]=3 1036 B12R0.113 C=CC(C)OC(C)COCCCC 4c4fad65b71f93504b17e311fc8d5998 [0,1,0,0,0,0|2,0,1]=4 1037 B12R0.113 C=CC(C)O[C@@H](C)CCCCCC 67e668cc35a61d9207c4de90f075c978 [0,1,0,0,0,0|1,0,1]=3 1038 B12R0.113 C=CC(C)O[C@H](C)CCCCCC df6d5bda39dbf32ae6d23399af02a616 [0,1,0,0,0,0|1,0,1]=3 1039 B12R0.113 C=CCCCCC(=O)NC(C)C=C ae253318e4be1a6bf23d381377e2e29c [0,1,0,0,0,0|1,0,2]=4 1040 B12R0.113 C=C[C@H](C)OC(C)CCCCCC 89b0339a68d2d49b2d8a3194b1513819 [0,1,0,0,0,0|1,0,1]=3 1041 B12R0.113 CCCCCCC(=O)NC(C)C#N 4ad232b18d04426aa6f7def878456a3f [0,1,0,0,0,0|2,0,1]=4 1042 B12R0.113 CCCCCCC(=O)NC(C)CC 4d6755fc6b0c3b305083fdeac803dd8d [0,1,0,0,0,0|1,0,2]=4 1043 B12R0.113 CCCCCCC(=O)NC(C)CO b7a9d2df5ced26fc3fba5d216d98f92e [0,1,0,0,0,0|2,0,1]=4 1044 B12R0.113 CCCCCCC(=O)N[C@@H](C)CC a9b9ebd896df25a0338bc1f71d3bf636 [0,1,0,0,0,0|1,0,2]=4 1045 B12R0.113 CCCCCCC(=O)N[C@@H](C)CO 7f4a8b3f9546873d74f637047e80e1ef [0,1,0,0,0,0|2,0,1]=4 1046 B12R0.113 CCCCCCC(=O)N[C@H](C)CC a00351c3396cd0832e6d4eb23686ea7c [0,1,0,0,0,0|1,0,2]=4 1047 B12R0.113 CCCCCCC(=O)N[C@H](C)CO 1ac69948e41f89fe29e9c3faae70bb45 [0,1,0,0,0,0|2,0,1]=4 1048 B12R0.113 CCCCCCC(C)OC(C)C=O 1ff957473e04c3f9d603d0fcde9e7fa1 [0,1,0,0,0,0|2,0,1]=4 1049 B12R0.113 CCCCCCC(C)O[C@H](C)C=O a57e9858d1d820c501602e3ebcea1896 [0,1,0,0,0,0|2,0,1]=4 1050 B12R0.113 CCCCCC[C@@H](C)OC(C)C=O 159216a76416ee32ece0587be1da41c5 [0,1,0,0,0,0|2,0,1]=4 1051 B12R0.113 CCCCCC[C@@H](C)O[C@H](C)C=O 07de9b9ce431a3ee9c90a5648c885db7 [0,1,0,0,0,0|2,0,1]=4 1052 B12R0.113 CCCCCC[C@H](C)OC(C)C=O 0211f8ecff8c1a6a1dedea65295fb024 [0,1,0,0,0,0|2,0,1]=4 1053 B12R0.113 CCCCCC[C@H](C)O[C@H](C)C=O 16fec6b0f3c216e5e98e40d4fe768e34 [0,1,0,0,0,0|2,0,1]=4 1054 B12R0.114 C#CCCCCC(=O)N(C)CC=C 75e2111d9826ad7ef3533a771c28de5f [0,1,0,0,0,0|1,0,2]=4 1055 B12R0.114 C#CCN(C)C(=O)CCCCCC f17f3df8a291a087d4e5aef789f2602e [0,1,0,0,0,0|1,0,2]=4 1056 B12R0.114 C=CCC(=O)N(C)CCCCCC 76040d8b8a23923e221e9602520a0f96 [0,1,0,0,0,0|3,0,0]=4 1057 B12R0.114 C=CCCCCC(=O)N(C)CC=C 3affe367c94a02a2cf7565f7e74738d6 [0,1,0,0,0,0|1,0,2]=4 1058 B12R0.114 C=CCN(C)C(=O)/C=C/CCCC 0992524a31960d80725aea73d9d8a5dd [0,1,0,0,0,0|1,0,2]=4 1059 B12R0.114 C=CCN(C)C(=O)C#CCCCC f4388fb41c1b2ff8d88276501cef1fd7 [0,1,0,0,0,0|1,0,2]=4 1060 B12R0.114 C=CCN(C)C(=O)C/C=C/CCC 68e83a281d99108eead674d6ce14b053 [0,1,0,0,0,0|1,0,2]=4 1061 B12R0.114 C=CCN(C)C(=O)C=CCCCC 539641a93daf4671df42f1b7e55f4eda [0,1,0,0,0,0|1,0,2]=4 1062 B12R0.114 C=CCN(C)C(=O)CCC/C=C/C 4565bfbf7fb6416e08b4cc8b69a8cd30 [0,1,0,0,0,0|1,0,2]=4 1063 B12R0.114 C=CCN(C)C(=O)CCCCC=O 74af5bd5d1a5f93621029d3491ef7caa [0,1,0,0,0,0|2,0,1]=4 1064 B12R0.114 C=CCN(C)C(=O)CCCCCC 89e645e685a5e33e12e2694048b01038 [0,1,0,0,0,0|1,0,0]=2 1065 B12R0.114 C=CCN(C)C(=O)CCCCCF 2563a71d7d6ade6d45f058c595d891e2 [0,1,0,0,0,0|2,0,0]=3 1066 B12R0.114 C=CCN(C)C(=O)CCCCCO 6f99c148e53213087caab7af11ea49de [0,1,0,0,0,0|2,0,0]=3 1067 B12R0.114 C=CCN(C)C(=O)CCCCCS 3ce031fd83d0981ee0c700864e92b492 [0,1,0,0,0,0|2,0,0]=3 1068 B12R0.114 C=CCN(C)C(=O)CCCSSC fdddd13baa0814c611ec50639cc04c6c [0,1,0,0,0,0|3,0,0]=4 1069 B12R0.114 C=CCN(C)C(=O)CCOCCC 0efe3c8db35e0795c24a59b7df8a5c84 [0,1,0,0,0,0|2,0,0]=3 1070 B12R0.114 C=CCN(C)C(=O)CCOCCO a79dabf5e9d3e8058c1fb373d6b9f2d1 [0,1,0,0,0,0|3,0,0]=4 1071 B12R0.114 C=CCN(C)C(=O)CCOCCS 15d163e35f1ae447fb3014d313d57acf [0,1,0,0,0,0|3,0,0]=4 1072 B12R0.114 C=CCN(C)C(=O)COCCCC de471fc78cf80a7a5bc3f611f7874db5 [0,1,0,0,0,0|2,0,0]=3 1073 B12R0.114 C=CCN(C)C(=O)COCCOC b22fb4546085400825d4917beaa2e465 [0,1,0,0,0,0|3,0,0]=4 1074 B12R0.114 C=CCN(C)C(=O)COCCSC efd93647e2eee50a7ae83978dc64e00a [0,1,0,0,0,0|3,0,0]=4 1075 B12R0.114 C=CCN(C)C(=O)CSCCCC 6ed73b22ebb3b0c17399778460c2e203 [0,1,0,0,0,0|2,0,0]=3 1076 B12R0.114 C=CCN(C)C(=O)CSCCOC 0eec5e33b572afe9b904c08106995183 [0,1,0,0,0,0|3,0,0]=4 1077 B12R0.114 C=CCN(C)C(=O)NCCCCC 50dabf98e8e7bc24da456681c823bd2d [0,1,0,0,0,0|2,0,0]=3 1078 B12R0.114 C=CCN(C)C(=O)NCCCCN 92730d0e76d0442e8931155a048ea5a3 [0,1,0,0,0,0|3,0,0]=4 1079 B12R0.114 C=CCN(C)C(=O)NCCCCO b0e31b465abd0d36595f161dc260ce7e [0,1,0,0,0,0|3,0,0]=4 1080 B12R0.114 C=CCN(C)C(=O)NCCCCS 7da6ec203e008b34f31995ab934b5ce6 [0,1,0,0,0,0|3,0,0]=4 1081 B12R0.114 C=CCN(C)C(=O)NCCCOC 23bad4e6c110f2f6d220b4276903623a [0,1,0,0,0,0|3,0,0]=4 1082 B12R0.114 C=CCN(C)C(=O)NCCCSC 8e87ad75efd45eec7a62c348561129e7 [0,1,0,0,0,0|3,0,0]=4 1083 B12R0.114 C=CCN(C)C(=O)NCCOCC 24cc00ae123d0b108dac8f4e38e66205 [0,1,0,0,0,0|3,0,0]=4 1084 B12R0.114 C=CCN(C)C(=O)NCCSCC d6cbc3aea359626f88bc373e5b2bbeab [0,1,0,0,0,0|3,0,0]=4 1085 B12R0.114 C=CCN(C)C(=S)NCCCCC efb7841091c459048d5f73e93e76a541 [0,1,0,0,0,0|2,1,0]=4 1086 B12R0.114 C=CCN(C)C(C)CCCCCC 0b7322e1437ad393251e195dd4e364ef [0,1,0,0,0,0|2,0,1]=4 1087 B12R0.114 CCCCCCC(=O)N(C)CC#N 703c91e0af1477c224558eca90af1a8e [0,1,0,0,0,0|2,0,1]=4 1088 B12R0.114 CCCCCCC(=O)N(C)CCC 82cc5c9eb8a9cae40afed1798a78601a [0,1,0,0,0,0|1,0,2]=4 1089 B12R0.114 CCCCCCC(=O)N(C)CCF 22b4990569d453b7312992f217b75a87 [0,1,0,0,0,0|2,0,1]=4 1090 B12R0.114 CCCCCCC(=O)N(C)CCO 06ec9b6faf4d5aa7847ecc6d3adee2dd [0,1,0,0,0,0|2,0,1]=4 1091 B12R0.206 C#CCCC(=O)CCOCCCC 499d411553419b052d355d65fa89e035 [0,1,0,0,0,0|1,0,2]=4 1092 B12R0.206 C#CCCC(=O)NCCCCCC c25f02fbf73d626b149a3923ecf8a85e [0,1,0,0,0,0|1,0,2]=4 1093 B12R0.206 C#CCCCCNC(=O)CCC=C 1a51b0b62e74a4d1a4b5f97e4fa7f1cc [0,1,0,0,0,0|1,0,2]=4 1094 B12R0.206 C#CCCCNCC(=O)NCC=C ce2eda9f25113f6a63694bce5f8f62da [0,1,0,0,0,0|1,0,2]=4 1095 B12R0.206 C#CCCCNCC(=O)OCC=C 1ff8258ce16fd00b62b697db616d9b00 [0,1,0,0,0,0|0,0,2]=3 1096 B12R0.206 C#CCCCOCC(=O)NCC=C dc10bc95f86a45918f983414f9564c7e [0,1,0,0,0,0|1,0,2]=4 1097 B12R0.206 C#CCCCOCC(=O)OCC=C 92f68ea90e17200519c75acd1346fcac [0,1,0,0,0,0|0,0,2]=3 1098 B12R0.206 C#CCCNCCC(=O)NCC=C d7e571de490fd9ce373ea9ecba6c325e [0,1,0,0,0,0|1,0,2]=4 1099 B12R0.206 C#CCCOCCC(=O)NCC=C 768f0da9ff20241ebe80e70c256270f2 [0,1,0,0,0,0|1,0,2]=4 1100 B12R0.206 C#CCNC(=O)CCCCCCC e02c91407f3738fdeccf2023e7f98b01 [0,1,0,0,0,0|1,0,2]=4 1101 B12R0.206 C#CCNC(=O)CCCCCCF e75e96489fba5a6e7d38260518147ea7 [0,1,0,0,0,0|1,0,2]=4 1102 B12R0.206 C#CCNC(=O)CCCCCCO cbb6487b7fb5a106ea1b515662376fb2 [0,1,0,0,0,0|1,0,2]=4 1103 B12R0.206 C#CCNC(=O)CCCCCCS 756678e22db260aa265dc6b86762eceb [0,1,0,0,0,0|1,0,2]=4 1104 B12R0.206 C#CCNC(=O)CCCCCOC 2753655384a5731df4e9275cd72d9804 [0,1,0,0,0,0|1,0,2]=4 1105 B12R0.206 C#CCNC(=O)CCCCOCC 4748896da8c7fad359113f29f5ce29cf [0,1,0,0,0,0|1,0,2]=4 1106 B12R0.206 C#CCNC(=O)CCOCCCC c363a61852a27b3af78a9e0b9f322c10 [0,1,0,0,0,0|1,0,2]=4 1107 B12R0.206 C#CCNC(=O)CNCCCCC 87584fa4bbee70dc1cae8c47acd1b0cf [0,1,0,0,0,0|1,0,2]=4 1108 B12R0.206 C#CCNC(=O)COCCCCC 19a963a78f16e20057d95a11a58cdac3 [0,1,0,0,0,0|1,0,2]=4 1109 B12R0.206 C#CCNC(=O)NCCCCCC 40cb6b26062e7bb3aac15e6706b70602 [0,1,0,0,0,0|1,0,2]=4 1110 B12R0.206 C#CCNCCCC(=O)OCC=C 4c8a4ce93823092081d851ba44eea1a9 [0,1,0,0,0,0|0,0,2]=3 1111 B12R0.206 C#CCOCCCC(=O)OCC=C 5edde871390dd7af2f554ba90fddc666 [0,1,0,0,0,0|0,0,2]=3 1112 B12R0.206 C/C=C/CC(=O)NCCCCCC bde448a86bde6ddb2d7b353249e71a1d [0,1,0,0,0,0|1,0,2]=4 1113 B12R0.206 C=C(CNCCCCC)OCOC cd2f91854a6e3a9ba0f664c827cd6897 [0,1,0,0,0,0|2,0,1]=4 1114 B12R0.206 C=C(COCCCCC)OCOC 0bae17c92eaf610ff0ef21bb907e0496 [0,1,0,0,0,0|2,0,1]=4 1115 B12R0.206 C=C/C=C/C(=O)NCCCCCC f2abcc8fa2776f274f69e5ea5963f6c2 [0,1,0,0,0,0|1,0,1]=3 1116 B12R0.206 C=C/C=C/C(=O)NCCCCCCl e03d532b54a6122f832c20fc9604ad58 [0,1,0,0,0,0|2,0,1]=4 1117 B12R0.206 C=C/C=C/C(=O)NCCCCCO 25eca366463f05e05f65336b6e17344a [0,1,0,0,0,0|2,0,1]=4 1118 B12R0.206 C=C/C=C/C(=O)NCCCCOC c0989335013cd40e1f104dce89949665 [0,1,0,0,0,0|2,0,1]=4 1119 B12R0.206 C=C/C=C/C(=O)NCCCCSC 7a4b3458aa9397a74841b093b31715fc [0,1,0,0,0,0|2,0,1]=4 1120 B12R0.206 C=C/C=C/C(=O)NCCCOCC 8ec0b7fe20894348504eac18c9e64be0 [0,1,0,0,0,0|2,0,1]=4 1121 B12R0.206 C=C/C=C/C(=O)NCCOCCC c33c6e555d157562cf0cb3d5d851c850 [0,1,0,0,0,0|2,0,1]=4 1122 B12R0.206 C=C/C=C\C(=O)NCCCCCC 9a43241ec18e9d84c690de0d9a2163d1 [0,1,0,0,0,0|1,0,1]=3 1123 B12R0.206 C=C/C=C\C(=O)NCCCCCCl b6766bee2ba1ddd6f62faacb25404fdc [0,1,0,0,0,0|2,0,1]=4 1124 B12R0.206 C=C/C=C\C(=O)NCCCCCO 8011701cc94f70f32c33bbac039ad6f0 [0,1,0,0,0,0|2,0,1]=4 1125 B12R0.206 C=C/C=C\C(=O)NCCCCOC e5956884f0272e1fa5c074dd7960e7d3 [0,1,0,0,0,0|2,0,1]=4 1126 B12R0.206 C=C/C=C\C(=O)NCCCCSC 4de3591d6120f706e9e7a40a03275416 [0,1,0,0,0,0|2,0,1]=4 1127 B12R0.206 C=C/C=C\C(=O)NCCCOCC aee930631ccf097324e32be09373e171 [0,1,0,0,0,0|2,0,1]=4 1128 B12R0.206 C=C/C=C\C(=O)NCCOCCC 9715daf1d84b0059a023caa864331a7f [0,1,0,0,0,0|2,0,1]=4 1129 B12R0.206 C=C=CCCOCC(=O)OCC=C 482c29851ccba78767378e2d90d18ef9 [0,1,0,0,0,0|0,0,3]=4 1130 B12R0.206 C=CC=CC(=O)NCCCCCC db5b45072786e02da14a90aa019b7328 [0,1,0,0,0,0|1,0,1]=3 1131 B12R0.206 C=CC=CC(=O)NCCCCCCl 35b24bab0dac9db13db93c716ddf0563 [0,1,0,0,0,0|2,0,1]=4 1132 B12R0.206 C=CC=CC(=O)NCCCCCO b5c896a278c79b5da901843fb95e68d8 [0,1,0,0,0,0|2,0,1]=4 1133 B12R0.206 C=CC=CC(=O)NCCCCOC 6c6996b875c53bf7136868a538629d68 [0,1,0,0,0,0|2,0,1]=4 1134 B12R0.206 C=CC=CC(=O)NCCCCSC 6f5c7753b4423dac24c34e8933a5f77b [0,1,0,0,0,0|2,0,1]=4 1135 B12R0.206 C=CC=CC(=O)NCCCOCC ed66922764e73c3332cb6af1353c1a67 [0,1,0,0,0,0|2,0,1]=4 1136 B12R0.206 C=CC=CC(=O)NCCOCCC fe1501a5ab02e2d2e49d3f26df31dba8 [0,1,0,0,0,0|2,0,1]=4 1137 B12R0.206 C=CCCC(=O)NCCCCC#N 8c0695f5cabfd3464a67ebc9238290dd [0,1,0,0,0,0|2,0,1]=4 1138 B12R0.206 C=CCCC(=O)NCCCCCC 8406191e4b9ad7d977a55624246c6d5d [0,1,0,0,0,0|1,0,0]=2 1139 B12R0.206 C=CCCC(=O)NCCCCCCl 887c5bafbdd4ba409650183b3558af65 [0,1,0,0,0,0|2,0,0]=3 1140 B12R0.206 C=CCCC(=O)NCCCCCO 8fe0c435993e0d2865ea9ae145dd15d6 [0,1,0,0,0,0|2,0,0]=3 1141 B12R0.206 C=CCCC(=O)NCCCCOC f8f6011eabc4d926b63339915545ce76 [0,1,0,0,0,0|2,0,0]=3 1142 B12R0.206 C=CCCC(=O)NCCCCSC 266c6aa7a07256e51b22e0233dfdef02 [0,1,0,0,0,0|2,0,0]=3 1143 B12R0.206 C=CCCC(=O)NCCCOCC 5b9443eed9ace1daebc3d00dc8e3b5ff [0,1,0,0,0,0|2,0,0]=3 1144 B12R0.206 C=CCCC(=O)NCCOCCC 705664abbf1564ed7d3b282a6174169f [0,1,0,0,0,0|2,0,0]=3 1145 B12R0.206 C=CCCC(=O)NCCOCCO 5bdb5445b8de2e2a0e5aa62d61a0cbc2 [0,1,0,0,0,0|3,0,0]=4 1146 B12R0.206 C=CCCC(=O)NCCOCCS 3dc1d15926418084f15d947cac1547de [0,1,0,0,0,0|3,0,0]=4 1147 B12R0.206 C=CCCC(=O)NCCSCCO 3d645fb8b66c5f8e95f49884317a183b [0,1,0,0,0,0|3,0,0]=4 1148 B12R0.206 C=CCCC(C)NCCCCCC 4fabe539e016e45a0153551a02a6a639 [0,1,0,0,0,0|2,0,1]=4 1149 B12R0.206 C=CCCC(C)OCCCCCC a07a85d0df9a2dfe098ac73b6615c606 [0,1,0,0,0,0|2,0,1]=4 1150 B12R0.206 C=CCCC(O)CNCCCCC a2977035338255c5ef40303357e2d2a2 [0,1,0,0,0,0|1,0,2]=4 1151 B12R0.206 C=CCCCCNC(=O)CCC=C 8c5eb553aa56e31a1ea13389df10b959 [0,1,0,0,0,0|1,0,2]=4 1152 B12R0.206 C=CCCCNCC(=O)NCC=C 7ac3c9c666c75ad916700b4b4efda0a7 [0,1,0,0,0,0|1,0,2]=4 1153 B12R0.206 C=CCCCNCC(=O)OCC=C bd5b4b379fe6c12ec93ea251f728d228 [0,1,0,0,0,0|0,0,2]=3 1154 B12R0.206 C=CCCCOCC(=O)NCC=C 4cd4ac103d247d63e2ac1160d316ff25 [0,1,0,0,0,0|1,0,2]=4 1155 B12R0.206 C=CCCCOCC(=O)OCC=C 6e4d92e4dbfa60222966169819d52024 [0,1,0,0,0,0|0,0,2]=3 1156 B12R0.206 C=CCCN(C)CCCCCCC e9411282c439ad693959e2fe04958e7f [0,1,0,0,0,0|3,0,0]=4 1157 B12R0.206 C=CCCN(C)CCCCCCF abc76b7a258897cace2e0e82e5754418 [0,1,0,0,0,0|3,0,0]=4 1158 B12R0.206 C=CCCN(C)CCCCCCO e8b3ddfe21666bb63312345493176230 [0,1,0,0,0,0|3,0,0]=4 1159 B12R0.206 C=CCCN(C)CCCCCOC 5d665699814033e09aec0c3c8c0e2163 [0,1,0,0,0,0|3,0,0]=4 1160 B12R0.206 C=CCCN(C)CCCOCCC 7f1e03c6185ddfc91942a89d75bd7c05 [0,1,0,0,0,0|3,0,0]=4 1161 B12R0.206 C=CCCN(C)CCOCCCC 9048d81903dceb7eb2cbe7914499ca8a [0,1,0,0,0,0|3,0,0]=4 1162 B12R0.206 C=CCCNCCC(=O)NCC=C 36c82a218fc6c69f352bb086451c8dc3 [0,1,0,0,0,0|1,0,2]=4 1163 B12R0.206 C=CCCOCCC(=O)NCC=C 5457ee406a5a20e7f1246329af087ae3 [0,1,0,0,0,0|1,0,2]=4 1164 B12R0.206 C=CCC[C@@H](C)OCCCCCC 4f56421297f65e75bbb31bd8dd4abc38 [0,1,0,0,0,0|2,0,1]=4 1165 B12R0.206 C=CCC[C@@H](O)CNCCCCC 4e4a27af9c21fbf218bd4133fc111ac9 [0,1,0,0,0,0|1,0,2]=4 1166 B12R0.206 C=CCNC(=O)CCNCC#CC 78025be88e12a5e78b4900bec5ca38b2 [0,1,0,0,0,0|1,0,2]=4 1167 B12R0.206 C=CCNC(=O)CCNCC=CC 19bc186df0052155a3ab2a4a1159f10e [0,1,0,0,0,0|1,0,2]=4 1168 B12R0.206 C=CCNC(=O)CCNCCC#N f80b79b42bae6f7593cac5ada7d008fe [0,1,0,0,0,0|2,0,1]=4 1169 B12R0.206 C=CCNC(=O)CCNCCCC 626d90f13e272a5661660c834c716106 [0,1,0,0,0,0|1,0,0]=2 1170 B12R0.206 C=CCNC(=O)CCNCCCCl 88304d516f3ba15aaec1537b3ccca8c5 [0,1,0,0,0,0|2,0,0]=3 1171 B12R0.206 C=CCNC(=O)CCNCCCO 7a95e77441e546cd909b5cfcc7b1ea2b [0,1,0,0,0,0|2,0,0]=3 1172 B12R0.206 C=CCNC(=O)CCNCCOC a31d52dab67d7d083dfb3c8672e62fa8 [0,1,0,0,0,0|2,0,0]=3 1173 B12R0.206 C=CCNC(=O)CCNCCON d42857794a536b12a95ca244bf5881d5 [0,1,0,0,0,0|3,0,0]=4 1174 B12R0.206 C=CCNC(=O)CCNCCSC 18a37a7b521fc61411f46a99f44d5e2b [0,1,0,0,0,0|2,0,0]=3 1175 B12R0.206 C=CCNC(=O)CCOC/C=C/C 3c32e468734c63ef3a9cea30623ef071 [0,1,0,0,0,0|1,0,2]=4 1176 B12R0.206 C=CCNC(=O)CCOC/C=C\C e5c59e31a3aea3bf16bc4700183894a0 [0,1,0,0,0,0|1,0,2]=4 1177 B12R0.206 C=CCNC(=O)CCOCC#CC 75a5048bffab5981855e139ac266a19f [0,1,0,0,0,0|1,0,2]=4 1178 B12R0.206 C=CCNC(=O)CCOCC=CC 0d313afcf049cdf723cdd40d96641461 [0,1,0,0,0,0|1,0,2]=4 1179 B12R0.206 C=CCNC(=O)CCOCCC#N cf812ba0be29204ce622cf40bcda926b [0,1,0,0,0,0|2,0,1]=4 1180 B12R0.206 C=CCNC(=O)CCOCCC=O f74f30aa0fda0c85a2ba8966f30c6171 [0,1,0,0,0,0|2,0,1]=4 1181 B12R0.206 C=CCNC(=O)CCOCCCC 2733baed101febc1cda88de21f1eac19 [0,1,0,0,0,0|1,0,0]=2 1182 B12R0.206 C=CCNC(=O)CCOCCCF fae7de48142691b8d59ba25bc91ce031 [0,1,0,0,0,0|2,0,0]=3 1183 B12R0.206 C=CCNC(=O)CCOCCCS 295b7957e9aa826b2881a1fdc22b730a [0,1,0,0,0,0|2,0,0]=3 1184 B12R0.206 C=CCNC(=O)CCOCCOC 1178847c0af0027c6336076332d321c8 [0,1,0,0,0,0|2,0,0]=3 1185 B12R0.206 C=CCNC(=O)CCOCCSC 5b3161114aae48911435a93aa9556cf1 [0,1,0,0,0,0|2,0,0]=3 1186 B12R0.206 C=CCNC(=O)CNCCCC#N 1628fee294e24686a28c42c04b44a50d [0,1,0,0,0,0|2,0,1]=4 1187 B12R0.206 C=CCNC(=O)CNCCCCC cae52e131074f7ca2d047cbe42a47f47 [0,1,0,0,0,0|1,0,0]=2 1188 B12R0.206 C=CCNC(=O)CNCCCCCl 066fc2d59f355571baf967ee95bb0a56 [0,1,0,0,0,0|2,0,0]=3 1189 B12R0.206 C=CCNC(=O)CNCCCCO 09dacdcbda79a0a6d2186b98fdd30e14 [0,1,0,0,0,0|2,0,0]=3 1190 B12R0.206 C=CCNC(=O)CNCCCCS 339b43640c1bc5137a6a995afa08895a [0,1,0,0,0,0|2,0,0]=3 1191 B12R0.206 C=CCNC(=O)CNCCCOC 0cfd64edb629f4b36153a8f0d7cf6822 [0,1,0,0,0,0|2,0,0]=3 1192 B12R0.206 C=CCNC(=O)CNCCCSC 350e087d091cdcd0428456479d7660b2 [0,1,0,0,0,0|2,0,0]=3 1193 B12R0.206 C=CCNC(=O)CNCCOCC 43d2517d63b37f75f91a5f73ba01d51a [0,1,0,0,0,0|2,0,0]=3 1194 B12R0.206 C=CCNC(=O)CNCCSCC 9d3029e717b5185c2b44a9c8f20b1619 [0,1,0,0,0,0|2,0,0]=3 1195 B12R0.206 C=CCNC(=O)COC/C=C/CC ad4fc2843783d93508c21475c8dbffa6 [0,1,0,0,0,0|1,0,2]=4 1196 B12R0.206 C=CCNC(=O)COC/C=C\CC 7b8fbc8a1bb471480860e5b11e792123 [0,1,0,0,0,0|1,0,2]=4 1197 B12R0.206 C=CCNC(=O)COCC#CCC 6413459383a35915554cec8553c54a3d [0,1,0,0,0,0|1,0,2]=4 1198 B12R0.206 C=CCNC(=O)COCC/C=C/C 9ebe92f4634c92ec3fe1b8c13cbff081 [0,1,0,0,0,0|1,0,2]=4 1199 B12R0.206 C=CCNC(=O)COCCC#CC ba27f82c389b85d3bba6450ce0df234f [0,1,0,0,0,0|1,0,2]=4 1200 B12R0.206 C=CCNC(=O)COCCCC#N 4e4e8cf7cf2932dcdb2d620657e4b17d [0,1,0,0,0,0|2,0,1]=4 1201 B12R0.206 C=CCNC(=O)COCCCC=O 5e31b75f9dd55e7a02de76d25e457da9 [0,1,0,0,0,0|2,0,1]=4 1202 B12R0.206 C=CCNC(=O)COCCCCC 6a419f22d0052e169e2ff7d46de380dd [0,1,0,0,0,0|1,0,0]=2 1203 B12R0.206 C=CCNC(=O)COCCCCF 59d0b180e073fa66869d3c7cc98b5af2 [0,1,0,0,0,0|2,0,0]=3 1204 B12R0.206 C=CCNC(=O)COCCCCS b3549f625c080e4609c2862f983f2e88 [0,1,0,0,0,0|2,0,0]=3 1205 B12R0.206 C=CCNC(=O)COCCCOC 7f0ae1812ad6d9ba3d3fd1db8ac74269 [0,1,0,0,0,0|2,0,0]=3 1206 B12R0.206 C=CCNC(=O)COCCCSC 67fca88d3edbcefc95d9b7ac97f699f9 [0,1,0,0,0,0|2,0,0]=3 1207 B12R0.206 C=CCNC(=O)COCCOCC 8604a2c1ec8895533a05418d93436714 [0,1,0,0,0,0|2,0,0]=3 1208 B12R0.206 C=CCNC(=O)COCCSCC 0af8e5549cd264e1b679b2ee0ce7124a [0,1,0,0,0,0|2,0,0]=3 1209 B12R0.206 C=CCNC(=S)NCCOCCC 88b0114965302d8f3077e25e07921056 [0,1,0,0,0,0|2,1,0]=4 1210 B12R0.206 C=CCN[C@@H](C)CCCCCCC bbf2d60bee09639dc9db048d3098bb0c [0,1,0,0,0,0|2,0,1]=4 1211 B12R0.206 C=CCOC(=O)CCCCOCC 99e1c103a2de0ca1fe0cb7d098d46dda [0,1,0,0,0,0|0,0,0]=1 1212 B12R0.206 C=CCOC(=O)CCCCOCF b625e37d0468cca71d96603b0eeaa366 [0,1,0,0,0,0|1,0,0]=2 1213 B12R0.206 C=CCOC(=O)CCCNCC#N b0878ed20fd22f6efc81cd46a612d7d3 [0,1,0,0,0,0|1,0,1]=3 1214 B12R0.206 C=CCOC(=O)CCCNCCBr 0594c429b2181d52db53b035c5147505 [0,1,0,0,0,0|1,0,0]=2 1215 B12R0.206 C=CCOC(=O)CCCNCCC 34f42d60f6961873148730379571bcb4 [0,1,0,0,0,0|0,0,0]=1 1216 B12R0.206 C=CCOC(=O)CCCNCCF a2b0b58253668f28bff116c78ef36518 [0,1,0,0,0,0|1,0,0]=2 1217 B12R0.206 C=CCOC(=O)CCCNCCI 86ff3e16f85182986cafc548fdc0a097 [0,1,0,0,0,0|1,0,0]=2 1218 B12R0.206 C=CCOC(=O)CCCNCCO d25fa2bc8766294fad48b25d27e74c6e [0,1,0,0,0,0|1,0,0]=2 1219 B12R0.206 C=CCOC(=O)CCCNCCS 383a45a2cdce2fa50d35da93eaac210a [0,1,0,0,0,0|1,0,0]=2 1220 B12R0.206 C=CCOC(=O)CCCOCC#N 9388ae26c0c9b65598ec79a886b6cc30 [0,1,0,0,0,0|1,0,1]=3 1221 B12R0.206 C=CCOC(=O)CCCOCCC 0d620d62efac06d4d1dad33b4385751e [0,1,0,0,0,0|0,0,0]=1 1222 B12R0.206 C=CCOC(=O)CCCOCCF fe9a5823ffaa3ad2175d0de9220fc873 [0,1,0,0,0,0|1,0,0]=2 1223 B12R0.206 C=CCOC(=O)CCCOCCS a3de5f5e69293249556c27e1955cb23d [0,1,0,0,0,0|1,0,0]=2 1224 B12R0.206 C=CCOC(=O)CCCOCOC fb824b86aa2cf951b98e80c834a66162 [0,1,0,0,0,0|1,0,0]=2 1225 B12R0.206 C=CCOC(=O)CNCC#CCO 28dd1df1a210437843d7b827f0f521f9 [0,1,0,0,0,0|1,0,2]=4 1226 B12R0.206 C=CCOC(=O)CNCCCC#N b4954c935c6e3c787603b1f4e60fac4a [0,1,0,0,0,0|1,0,1]=3 1227 B12R0.206 C=CCOC(=O)CNCCCCC 7a0e6176a5425acb280ff9abe0f50b50 [0,1,0,0,0,0|0,0,0]=1 1228 B12R0.206 C=CCOC(=O)CNCCCCCl 958f920dabdf4c2340f80f758a88c576 [0,1,0,0,0,0|1,0,0]=2 1229 B12R0.206 C=CCOC(=O)CNCCCCO e0b8496dacc93f9e42b8d550d6481aab [0,1,0,0,0,0|1,0,0]=2 1230 B12R0.206 C=CCOC(=O)CNCCCCS 7cf03954bb0f3acf219445a7c1644887 [0,1,0,0,0,0|1,0,0]=2 1231 B12R0.206 C=CCOC(=O)CNCCCOC c341eee3264aece1173d2023671b59bc [0,1,0,0,0,0|1,0,0]=2 1232 B12R0.206 C=CCOC(=O)CNCCCSC acbfb202892fbd14e10b704d0c283c89 [0,1,0,0,0,0|1,0,0]=2 1233 B12R0.206 C=CCOC(=O)CNCCOC=C 5832b7a83209aca559385e87eececa18 [0,1,0,0,0,0|1,0,2]=4 1234 B12R0.206 C=CCOC(=O)CNCCOCC 4996fad02a06fac9e20fa3df88de8481 [0,1,0,0,0,0|1,0,0]=2 1235 B12R0.206 C=CCOC(=O)CNCCSCC b3c1449edf9bb7ee27827bbcb0651d10 [0,1,0,0,0,0|1,0,0]=2 1236 B12R0.206 C=CCOC(=O)COC/C=C/CC e61c8505ed027d6bcfa89900a250074e [0,1,0,0,0,0|0,0,2]=3 1237 B12R0.206 C=CCOC(=O)COC/C=C\CC 3805e4624022f7353522054181f8c307 [0,1,0,0,0,0|0,0,2]=3 1238 B12R0.206 C=CCOC(=O)COCC#CCC 166dd0bbd54f50f52b1334256aad8753 [0,1,0,0,0,0|0,0,2]=3 1239 B12R0.206 C=CCOC(=O)COCC/C=C/C 0f6ee24721b67c85e39285b6902cceac [0,1,0,0,0,0|0,0,2]=3 1240 B12R0.206 C=CCOC(=O)COCCC#CC d02c29769d9b9a4ab51dfb34334359d1 [0,1,0,0,0,0|0,0,2]=3 1241 B12R0.206 C=CCOC(=O)COCCCC#N f4a21c0d3dcd2c95f90e18a94e06c106 [0,1,0,0,0,0|1,0,1]=3 1242 B12R0.206 C=CCOC(=O)COCCCC=O 877573c011eccf4887195429fc56f655 [0,1,0,0,0,0|1,0,1]=3 1243 B12R0.206 C=CCOC(=O)COCCCCC b54153f4f28e3f1525c52d8945a68907 [0,1,0,0,0,0|0,0,0]=1 1244 B12R0.206 C=CCOC(=O)COCCCCF c21622c8cd6f84f4db937eef96ca0aad [0,1,0,0,0,0|1,0,0]=2 1245 B12R0.206 C=CCOC(=O)COCCCCS 2386695869fb56d6284d0cb5c4dcb235 [0,1,0,0,0,0|1,0,0]=2 1246 B12R0.206 C=CCOC(=O)COCCCOC 00dd293a6cf494436cbe91856bfcc31d [0,1,0,0,0,0|1,0,0]=2 1247 B12R0.206 C=CCOC(=O)COCCCSC 55fcd454c7f6bdd321225c441ee9656e [0,1,0,0,0,0|1,0,0]=2 1248 B12R0.206 C=CCOC(=O)COCCNC=O a44e3a7016bfa61f4613d931f89f50cb [0,1,0,0,0,0|2,0,1]=4 1249 B12R0.206 C=CCOC(=O)COCCOC=C aff3aa3d0ae93791dea97ddbb0940c13 [0,1,0,0,0,0|1,0,2]=4 1250 B12R0.206 C=CCOC(=O)COCCOC=O d9535a07ac0d1a2016ee6eac940d5bfe [0,1,0,0,0,0|2,0,1]=4 1251 B12R0.206 C=CCOC(=O)COCCOCC 09304d2337c625bedd28259b2a7fefd4 [0,1,0,0,0,0|1,0,0]=2 1252 B12R0.206 C=CCOC(=O)COCCSCC b6caa83c3b69f30c3df337880867b8df [0,1,0,0,0,0|1,0,0]=2 1253 B12R0.206 C=CCOC(C)CCCCCCC ccecc9235c8d24bec8fcac4b2b3dab9f [0,1,0,0,0,0|1,0,1]=3 1254 B12R0.206 CCCCCCCC(=O)NCC#N 5ad569cdb644ce963776cc78156d59e8 [0,1,0,0,0,0|2,0,1]=4 1255 B12R0.206 CCCCCCCC(=O)NCCBr aeb33913f692f8aeb2d88e85e8864d12 [0,1,0,0,0,0|2,0,1]=4 1256 B12R0.206 CCCCCCCC(=O)NCCC 803c3b5f65103b7f1c85f768d717c2f2 [0,1,0,0,0,0|1,0,2]=4 1257 B12R0.206 CCCCCCCC(=O)NCCF 5666ccc6ed2fb377267cd4664f7225c7 [0,1,0,0,0,0|2,0,1]=4 1258 B12R0.206 CCCCCCCC(=O)NCCI 6b13edd0735d1d59f96550bb7c54373a [0,1,0,0,0,0|2,0,1]=4 1259 B12R0.206 CCCCCCCC(=O)NCCO 59acf39a97659be39079e33de1548aab [0,1,0,0,0,0|2,0,1]=4 1260 B12R0.206 CCCCCCCC(=O)NCCS 3ddbaed3b0e1909b1a6b62a66497a6cb [0,1,0,0,0,0|2,0,1]=4 1261 B12R0.206 CCCCCCCC(C)OCC=O ad7ef376583cf50aa203d6721fcaa71a [0,1,0,0,0,0|2,0,1]=4 1262 B12R0.206 CCCCCCNC(=O)CCC#N 6fce8769372929f5f16b30f798ba34e2 [0,1,0,0,0,0|2,0,1]=4 1263 B12R0.206 CCCCCCNC(=O)CCC=O 2fb1d197b8a4a365f4a484d3a35c8222 [0,1,0,0,0,0|2,0,0]=3 1264 B12R0.206 CCCCCCNC(=O)CCCC 70acaae11b2c6b1fd45feafe6ffa5b78 [0,1,0,0,0,0|1,0,2]=4 1265 B12R0.206 CCCCCCNC(=O)CCCF 0e993041ca52f0859a511df998766182 [0,1,0,0,0,0|2,0,1]=4 1266 B12R0.206 CCCCCCNC(=O)CCCS d10e075b1852f7856eaccec0857dcaaa [0,1,0,0,0,0|2,0,1]=4 1267 B12R0.206 CCCCCCNC(=O)CCOC b4c31b8a66eba6314d589b98dd099b43 [0,1,0,0,0,0|2,0,1]=4 1268 B12R0.206 CCCCCCNC(=O)CCSC 59d90d84443cb158320da85f181ac89e [0,1,0,0,0,0|2,0,1]=4 1269 B12R0.206 CCCCCCNC(=O)CNC=O 31c9ce344b2ca66453f7291e1fcac037 [0,1,0,0,0,0|3,0,0]=4 1270 B12R0.206 CCCCCCNC(=O)NCC#N 8580c8a48d59b68efbb1e60564285765 [0,1,0,0,0,0|2,0,1]=4 1271 B12R0.206 CCCCCCNC(=O)NCCC f36e2e39309d437e377f2067d3d3eff8 [0,1,0,0,0,0|1,0,2]=4 1272 B12R0.206 CCCCCCNC(=O)NCCF 13c674784da2709752dfed6a4658c69d [0,1,0,0,0,0|2,0,1]=4 1273 B12R0.206 CCCCCCNC(=O)NCCN 7f84ff0455b061bd0347d6aa73d0f51d [0,1,0,0,0,0|2,0,1]=4 1274 B12R0.206 CCCCCCNC(=O)NCCO e6e5324d912a2eb8a44e9bd8f0362eb9 [0,1,0,0,0,0|2,0,1]=4 1275 B12R0.206 CCCCCCNC(=O)NCCS 63c266e8d4232b081ad99720135ec884 [0,1,0,0,0,0|2,0,1]=4 1276 B12R0.206 CCCCCNCC(=O)CCSC b8660bc8e2dae8d3245382c0aefef5b9 [0,1,0,0,0,0|2,0,1]=4 1277 B12R0.206 CCCCCNCC(=O)NCC#N 6823322991aa843f6f1b99ebaed854f3 [0,1,0,0,0,0|2,0,1]=4 1278 B12R0.206 CCCCCNCC(=O)NCCC 485c0e9fef70d914d1fa68888287aa18 [0,1,0,0,0,0|1,0,2]=4 1279 B12R0.206 CCCCCNCC(=O)NCCO 9f811f81b7a80a50c5a8848a082e7a7e [0,1,0,0,0,0|2,0,1]=4 1280 B12R0.206 CCCCCNCC(=O)OCCC de2a306fea09af86abf0893fd5e0c26b [0,1,0,0,0,0|0,0,2]=3 1281 B12R0.206 CCCCCOCC(=O)CCSC e0465f9fcf86d30a9a9b3a436d617fe7 [0,1,0,0,0,0|2,0,1]=4 1282 B12R0.206 CCCCCOCC(=O)NCC#N 18522fec6ed4317bf14928673a83ec8c [0,1,0,0,0,0|2,0,1]=4 1283 B12R0.206 CCCCCOCC(=O)NCCC abc22212e9071637d4f7daf41e0c511d [0,1,0,0,0,0|1,0,2]=4 1284 B12R0.206 CCCCCOCC(=O)OCCC e665b649604e19dd7431faa0ad8c8b23 [0,1,0,0,0,0|0,0,2]=3 1285 B12R0.206 CCCCNCOC(=O)OCCC d83cefbdb3981c9e3c96c1cd40b4f56b [0,1,0,0,0,0|1,0,2]=4 1286 B12R0.206 CCCCOCCC(=O)NCC#N fda0af2dd5ba7bc90c06a6b91dc975fb [0,1,0,0,0,0|2,0,1]=4 1287 B12R0.206 CCCCOCCC(=O)NCCBr 1f6476d461fab6f2d3cf2b6fa4703df2 [0,1,0,0,0,0|2,0,1]=4 1288 B12R0.206 CCCCOCCC(=O)NCCC 73e057edf46603d2370e38c443d4a9b3 [0,1,0,0,0,0|1,0,2]=4 1289 B12R0.206 CCCCOCCC(=O)NCCF db1a56ade117c6b7b0ed0a0477088223 [0,1,0,0,0,0|2,0,1]=4 1290 B12R0.206 CCCCOCCC(=O)NCCI 4b5bcc697d9e410ccd2ea2cbf9faefd6 [0,1,0,0,0,0|2,0,1]=4 1291 B12R0.206 CCCCOCCC(=O)NCCO 67d4d72ef2bbabeb91fa0d8f5a17fbb5 [0,1,0,0,0,0|2,0,1]=4 1292 B12R0.206 CCCCOCCC(=O)NCCS 5beb6b5ee01b21622525c5f22e5baef6 [0,1,0,0,0,0|2,0,1]=4 1293 B12R0.206 CCCCOCCC(=O)OCCC 2a1b433dcea9d2880480901bab6925a9 [0,1,0,0,0,0|0,0,2]=3 1294 B12R0.206 CCCCOCOC(=O)OCCC 071c97a3bb68cd2ecd9925c15aaf1564 [0,1,0,0,0,0|1,0,2]=4 1295 B12R0.206 CCCNC(=O)CCCCCCF fe0c0826cc2a628723d94a0538063122 [0,1,0,0,0,0|1,0,2]=4 1296 B12R0.206 CCCNC(=O)CCCCCCO 06682eecaa9b10b95e75ffa3df2459d9 [0,1,0,0,0,0|1,0,2]=4 1297 B12R0.206 CCCNC(=O)CCCCCCS ba9f55ea28a9b7b31a9b4116bfb6bb62 [0,1,0,0,0,0|1,0,2]=4 1298 B12R0.206 CCCNC(=O)CCCCCOC 245314515c1d97c13d9adf584ef34ad0 [0,1,0,0,0,0|1,0,2]=4 1299 B12R0.206 CCCNC(=O)CCCCOCC b5b1837a84cecb8e93b60a73927b2d74 [0,1,0,0,0,0|1,0,2]=4 1300 B12R0.206 CCCNC(=O)CCCOCCC 435e5a2e43d294bff9b948a4f65ab99d [0,1,0,0,0,0|1,0,2]=4 1301 B12R0.206 CCCNCCCC(=O)NCCC b3989e6e752d16b37af92ec59dbde35e [0,1,0,0,0,0|1,0,2]=4 1302 B12R0.206 CCCOC(=O)CCOCCCF 59c320dac474ec2811161e66e2464e17 [0,1,0,0,0,0|1,0,2]=4 1303 B12R0.206 CCCOC(=O)CCOCCCS df5e25595ce3867540563719c60661ae [0,1,0,0,0,0|1,0,2]=4 1304 B12R0.206 CCCOC(=O)CCOCCOC 7d8b07772216d464006195a1995cf433 [0,1,0,0,0,0|1,0,2]=4 1305 B12R0.206 CCCOC(=O)CCOCCSC 43393629d1c19e33dd16ab0a5b691755 [0,1,0,0,0,0|1,0,2]=4 1306 B12R0.206 CCCOC(=O)CCOCOCC e96b1f0233aac9513065515ff95e9fbb [0,1,0,0,0,0|1,0,2]=4 1307 B12R0.206 CCCOC(=O)CNCCCCCl 45124241f08a9fc598ed39bd0c8c5fcd [0,1,0,0,0,0|1,0,2]=4 1308 B12R0.206 CCCOC(=O)CNCCCCO 22ae123d3c65c6c95d71f7b1ecad0bd7 [0,1,0,0,0,0|1,0,2]=4 1309 B12R0.206 CCCOC(=O)CNCCCCS cd5a830a215bf4ab5f9696b39be26218 [0,1,0,0,0,0|1,0,2]=4 1310 B12R0.206 CCCOC(=O)CNCCCOC 369fb59c7286eb1404e186af1ece60a7 [0,1,0,0,0,0|1,0,2]=4 1311 B12R0.206 CCCOC(=O)CNCCCSC a1284ac40db9278ad53c7b780c9b1311 [0,1,0,0,0,0|1,0,2]=4 1312 B12R0.206 CCCOC(=O)CNCCOCC 498ef4fd4a133dde7f23ecde8a14227a [0,1,0,0,0,0|1,0,2]=4 1313 B12R0.206 CCCOC(=O)CNCCSCC 66d7f73a4cc276f938121e64e38aa544 [0,1,0,0,0,0|1,0,2]=4 1314 B12R0.206 CCCOC(=O)COCCCCF c96c9c870dbd0d200fe7d90a4f625f99 [0,1,0,0,0,0|1,0,2]=4 1315 B12R0.206 CCCOC(=O)COCCCCS 90eaabb4e8b7deca2ef25ad6d664554b [0,1,0,0,0,0|1,0,2]=4 1316 B12R0.206 CCCOC(=O)COCCCOC 114b77280af3929272a16e8b43f72bb1 [0,1,0,0,0,0|1,0,2]=4 1317 B12R0.206 CCCOC(=O)COCCCSC 3af9e40c6758f83423fcf56581d905f0 [0,1,0,0,0,0|1,0,2]=4 1318 B12R0.206 CCCOC(=O)COCCOCC 9e89e3c3bac026b79da1a8c44252376c [0,1,0,0,0,0|1,0,2]=4 1319 B12R0.206 CCCOC(=O)COCCSCC 23f30dca08bdf145f9f32c210829965b [0,1,0,0,0,0|1,0,2]=4 1320 B12R0.206 CCCOCCNC(=O)CCC=O 6e3b3a9f67e1921e2ccb53c7370e8b28 [0,1,0,0,0,0|3,0,0]=4 1321 B12R0.206 CCOCCCCC(=O)NCC#N 0c4c5d4b637307d42dbc6e0798c75fea [0,1,0,0,0,0|2,0,1]=4 1322 B12R0.206 CCOCCCCC(=O)NCCBr 3bae439d51f869de9612a780a934e2a4 [0,1,0,0,0,0|2,0,1]=4 1323 B12R0.206 CCOCCCCC(=O)NCCF 64004a00af9fe8dcbb173ccb789ecb85 [0,1,0,0,0,0|2,0,1]=4 1324 B12R0.206 CCOCCCCC(=O)NCCI c728ea5925f280850c1b315cfc66f681 [0,1,0,0,0,0|2,0,1]=4 1325 B12R0.206 CCOCCCCC(=O)NCCO 338104cc3c9eb29c7607d49d5e72a65a [0,1,0,0,0,0|2,0,1]=4 1326 B12R0.206 CCOCCCCC(=O)NCCS 966ea7ad6c11b4ea6f5bee1b504c5c6f [0,1,0,0,0,0|2,0,1]=4 1327 B12R0.206 CCOCCCNC(=O)CCC=O 57348aef508b1093db78741251a1215a [0,1,0,0,0,0|3,0,0]=4 1328 B12R0.206 COCCCCCC(=O)NCC#N c479db7e9a097e37dd3c340db6b1b510 [0,1,0,0,0,0|2,0,1]=4 1329 B12R0.206 COCCCCCC(=O)NCCBr 4209f75b112e962bcd7153d89a9b116f [0,1,0,0,0,0|2,0,1]=4 1330 B12R0.206 COCCCCCC(=O)NCCF c84e52b019de35b473bb100f07c2ec9f [0,1,0,0,0,0|2,0,1]=4 1331 B12R0.206 COCCCCCC(=O)NCCI f171326a21d4344acf2e734aee783550 [0,1,0,0,0,0|2,0,1]=4 1332 B12R0.206 COCCCCCC(=O)NCCO 0d47c2b7de9f30a10159948ee55487aa [0,1,0,0,0,0|2,0,1]=4 1333 B12R0.206 COCCCCCC(=O)NCCS 4a462384bd3128f34c621fcb7cbd4115 [0,1,0,0,0,0|2,0,1]=4 1334 B12R0.206 COCCCCNC(=O)CCC=O 2fdbb2220bda0d3e139c9c4987f79395 [0,1,0,0,0,0|3,0,0]=4 1335 B12R0.206 CSCCCCNC(=O)CCC=O ef0b2acfd7352aca16d9b1e653449b13 [0,1,0,0,0,0|3,0,0]=4 1336 B12R0.206 N#CCNC(=O)CCCCCCF 6360e9c2aed778dd48d86dfbcccb3da5 [0,1,0,0,0,0|2,0,1]=4 1337 B12R0.206 N#CCNC(=O)CCCCCCO cfcd20439c06d83a14752d2ee9362d37 [0,1,0,0,0,0|2,0,1]=4 1338 B12R0.206 N#CCNC(=O)CCCCCCS b14371e394c0bb32dbac6792193ae955 [0,1,0,0,0,0|2,0,1]=4 1339 B12R0.206 O=C(CCCCCCF)NCCBr 216e6224eb305e261185bc8cecd10f9f [0,1,0,0,0,0|2,0,1]=4 1340 B12R0.206 O=C(CCCCCCF)NCCF e64f2d76e985254a554e66498d3555bf [0,1,0,0,0,0|2,0,1]=4 1341 B12R0.206 O=C(CCCCCCF)NCCI ebb0914ec79239a64d13891854445a71 [0,1,0,0,0,0|2,0,1]=4 1342 B12R0.206 O=C(CCCCCCF)NCCO 5a5f2ada65ad0cea3e70d10d92ad237a [0,1,0,0,0,0|2,0,1]=4 1343 B12R0.206 O=C(CCCCCCF)NCCS bd197ae6f236851a243c303938cb74b6 [0,1,0,0,0,0|2,0,1]=4 1344 B12R0.206 O=C(CCCCCCO)NCCBr 3e4e47794909e2969e5fd4361c8f5d49 [0,1,0,0,0,0|2,0,1]=4 1345 B12R0.206 O=C(CCCCCCO)NCCF 60f86e103ddbffff9ec8dcbf282de3f3 [0,1,0,0,0,0|2,0,1]=4 1346 B12R0.206 O=C(CCCCCCO)NCCI bcb66c169f829790d2ea5e740d6df3d2 [0,1,0,0,0,0|2,0,1]=4 1347 B12R0.206 O=C(CCCCCCO)NCCO 8cc85d436d401405585b434ca54943c3 [0,1,0,0,0,0|2,0,1]=4 1348 B12R0.206 O=C(CCCCCCO)NCCS 24710eb62f1a4bf767b4d73236b45e86 [0,1,0,0,0,0|2,0,1]=4 1349 B12R0.206 O=C(CCCCCCS)NCCBr 9241e463c73ca5d6e2f4f47d70dae1fd [0,1,0,0,0,0|2,0,1]=4 1350 B12R0.206 O=C(CCCCCCS)NCCF bc1057b361b82ebece9c4c25ac88c6ab [0,1,0,0,0,0|2,0,1]=4 1351 B12R0.206 O=C(CCCCCCS)NCCI b36f2fbaa2a3ec32556b860bb92ebcee [0,1,0,0,0,0|2,0,1]=4 1352 B12R0.206 O=C(CCCCCCS)NCCO 79bcce4ca7e18712d55f2951b74e3aa6 [0,1,0,0,0,0|2,0,1]=4 1353 B12R0.206 O=C(CCCCCCS)NCCS 9fdb6cd2ea3ee0317f7fbe24b8dc459f [0,1,0,0,0,0|2,0,1]=4 1354 B12R0.206 O=CCCC(=O)NCCCCCCl b4c9023c3d229ec81ad9176c61111c54 [0,1,0,0,0,0|3,0,0]=4 1355 B12R0.206 O=CCCC(=O)NCCCCCO bae5863f69a8739758b243bbc52e5599 [0,1,0,0,0,0|3,0,0]=4 1356 B12R0.255 C#CCCCCC(=O)NCC(=C)Br fc2fd54c0aaa09c04cdacae251bdc88e [0,1,0,0,0,0|1,0,2]=4 1357 B12R0.255 C#CCCCCC(=O)NCC(=C)C 441f8ed46f6eb0b86f888d0ad1cc62e0 [0,1,0,0,0,0|1,0,2]=4 1358 B12R0.255 C=C(Br)CNC(=O)/C=C/CCCC bf1f62247e5eda54831156f1c39034d1 [0,1,0,0,0,0|1,0,2]=4 1359 B12R0.255 C=C(Br)CNC(=O)C#CCCCC 42bb0d144e77c59f9838e6095ae4bd6f [0,1,0,0,0,0|1,0,2]=4 1360 B12R0.255 C=C(Br)CNC(=O)C/C=C/CCC 07074737d21f7f6d7cc8e9ed053dd41d [0,1,0,0,0,0|1,0,2]=4 1361 B12R0.255 C=C(Br)CNC(=O)C=CCCCC 4b4ca8d115d294164f90d7787db2797d [0,1,0,0,0,0|1,0,2]=4 1362 B12R0.255 C=C(Br)CNC(=O)CCC/C=C/C 6034ce2dbf475c26e054003eb65f6410 [0,1,0,0,0,0|1,0,2]=4 1363 B12R0.255 C=C(Br)CNC(=O)CCCCC=O 8b296f9e3e36815504d3781cc816b821 [0,1,0,0,0,0|2,0,1]=4 1364 B12R0.255 C=C(Br)CNC(=O)CCCCCC 1a77fe5e9e933b5ba16406990a8c6528 [0,1,0,0,0,0|1,0,0]=2 1365 B12R0.255 C=C(Br)CNC(=O)CCCCCF 24bc9fb6c67948cbc4ebbd7d1840c31e [0,1,0,0,0,0|2,0,0]=3 1366 B12R0.255 C=C(Br)CNC(=O)CCCCCO ea8e48ffd0f4d451429778de79470812 [0,1,0,0,0,0|2,0,0]=3 1367 B12R0.255 C=C(Br)CNC(=O)CCCCCS a55fbc2475b9ddff430d825e51faa967 [0,1,0,0,0,0|2,0,0]=3 1368 B12R0.255 C=C(Br)CNC(=O)CCCSSC 57605ee06ec411aa0d051f4b295f9483 [0,1,0,0,0,0|3,0,0]=4 1369 B12R0.255 C=C(Br)CNC(=O)CCOCCC 1b57ac1a84aae6dde9f96f37525d8dcd [0,1,0,0,0,0|2,0,0]=3 1370 B12R0.255 C=C(Br)CNC(=O)CCOCCO 030d1de468270291fa19fd3a81a070e7 [0,1,0,0,0,0|3,0,0]=4 1371 B12R0.255 C=C(Br)CNC(=O)CCOCCS cf9571911b8fd5eeacd94134e82d4470 [0,1,0,0,0,0|3,0,0]=4 1372 B12R0.255 C=C(Br)CNC(=O)COCCCC fd7646a2d26a8ef393f8671090fe665c [0,1,0,0,0,0|2,0,0]=3 1373 B12R0.255 C=C(Br)CNC(=O)COCCOC 6ccbc57d455add9dfd1ea9794acf3c29 [0,1,0,0,0,0|3,0,0]=4 1374 B12R0.255 C=C(Br)CNC(=O)COCCSC 10885e034abae4b478582e66b06573ea [0,1,0,0,0,0|3,0,0]=4 1375 B12R0.255 C=C(Br)CNC(=O)CSCCCC 34adc361a11a526571779f6ae2578722 [0,1,0,0,0,0|2,0,0]=3 1376 B12R0.255 C=C(Br)CNC(=O)CSCCOC 5c7c29a974886c173054508a4c97b793 [0,1,0,0,0,0|3,0,0]=4 1377 B12R0.255 C=C(Br)CNC(=O)NCCCCC 4a3b6b69f8b01479f848a5eb61cdf301 [0,1,0,0,0,0|2,0,0]=3 1378 B12R0.255 C=C(Br)CNC(=O)NCCCCN d522437e7f75427c3df68fdf98c13174 [0,1,0,0,0,0|3,0,0]=4 1379 B12R0.255 C=C(Br)CNC(=O)NCCCCO f69d6a5883adfc65016e2683f41a4ccc [0,1,0,0,0,0|3,0,0]=4 1380 B12R0.255 C=C(Br)CNC(=O)NCCCCS e49e19e05c4e535256a3a5d9b1630cd7 [0,1,0,0,0,0|3,0,0]=4 1381 B12R0.255 C=C(Br)CNC(=O)NCCCOC d2ffbbe384db2ee134ba3adc615787e7 [0,1,0,0,0,0|3,0,0]=4 1382 B12R0.255 C=C(Br)CNC(=O)NCCCSC d1c594aa8e9e17f7f94849b33a952af1 [0,1,0,0,0,0|3,0,0]=4 1383 B12R0.255 C=C(Br)CNC(=O)NCCOCC 473945495e35d083b7aba05c0e99c8d8 [0,1,0,0,0,0|3,0,0]=4 1384 B12R0.255 C=C(Br)CNC(=O)NCCSCC 23c1932225cf01303b7089307f997804 [0,1,0,0,0,0|3,0,0]=4 1385 B12R0.255 C=C(Br)CNC(=S)NCCCCC a8b341470b4296523567684a39a6f2bd [0,1,0,0,0,0|2,1,0]=4 1386 B12R0.255 C=C(Br)CNC(C)CCCCCC 85e5cd894137e5835288e7ea1c1d86f3 [0,1,0,0,0,0|2,0,1]=4 1387 B12R0.255 C=C(Br)CN[C@@H](C)CCCCCC 67d241c80cec4efac9a73eee8f606999 [0,1,0,0,0,0|2,0,1]=4 1388 B12R0.255 C=C(Br)CN[C@H](C)CCCCCC d2e4fff6d9b33e58452733ae1fd13c1a [0,1,0,0,0,0|2,0,1]=4 1389 B12R0.255 C=C(Br)COC(C)CCCCCC 561eb3079a133e32ba306a26df414f6e [0,1,0,0,0,0|1,0,1]=3 1390 B12R0.255 C=C(Br)COC(C)COCCCC 1151c4ff530e72d8d14bafc1f7607017 [0,1,0,0,0,0|2,0,1]=4 1391 B12R0.255 C=C(Br)CO[C@@H](C)CCCCCC 178c0e0b67505eaac682b1e32bef30b9 [0,1,0,0,0,0|1,0,1]=3 1392 B12R0.255 C=C(Br)CO[C@H](C)CCCCCC 76bfb4564202436ece09b48c905799f3 [0,1,0,0,0,0|1,0,1]=3 1393 B12R0.255 C=C(C)CCC(=O)NCCCCC 8beba77f73ae32595fee3681e6f3c6e2 [0,1,0,0,0,0|2,0,0]=3 1394 B12R0.255 C=C(C)CCC(=O)NCCCCCl de4b21f447b3d103e55189d48a889fc5 [0,1,0,0,0,0|3,0,0]=4 1395 B12R0.255 C=C(C)CCC(=O)NCCCCO eb41e2f5952140ca49e6365791af64ff [0,1,0,0,0,0|3,0,0]=4 1396 B12R0.255 C=C(C)CCC(=O)NCCCCS 8ce405856bd3ff59c98c385f117af4f5 [0,1,0,0,0,0|3,0,0]=4 1397 B12R0.255 C=C(C)CCC(=O)NCCCOC 03c41943e1ba9d267176cd7f63e954ba [0,1,0,0,0,0|3,0,0]=4 1398 B12R0.255 C=C(C)CCC(=O)NCCCSC 5858fe21e8779e852e3feb567caded9e [0,1,0,0,0,0|3,0,0]=4 1399 B12R0.255 C=C(C)CCC(=O)NCCOCC 1eb94cca7bb74e9cce09c906a30222c1 [0,1,0,0,0,0|3,0,0]=4 1400 B12R0.255 C=C(C)CCC(=O)NCCSCC 7113661a98e54de589a35f8c968171f4 [0,1,0,0,0,0|3,0,0]=4 1401 B12R0.255 C=C(C)CCN(C)CCCCCC e7077ec24efed7a93623be4650fbd15d [0,1,0,0,0,0|3,0,0]=4 1402 B12R0.255 C=C(C)CNC(=O)/C=C/CCCC b22ebab158a3ba7ab50d874cef0f1680 [0,1,0,0,0,0|1,0,2]=4 1403 B12R0.255 C=C(C)CNC(=O)C#CCCCC e7a8d3fafc38d2dea2f9524431cc61bf [0,1,0,0,0,0|1,0,2]=4 1404 B12R0.255 C=C(C)CNC(=O)C/C=C/CCC 4b2809be21cd48635f34111c1e1eb629 [0,1,0,0,0,0|1,0,2]=4 1405 B12R0.255 C=C(C)CNC(=O)C=CCCCC 12498ec588d7e8d74d556b4d11f30afd [0,1,0,0,0,0|1,0,2]=4 1406 B12R0.255 C=C(C)CNC(=O)CCC/C=C/C c3dad17ee96dced2d344b93ea54a9d93 [0,1,0,0,0,0|1,0,2]=4 1407 B12R0.255 C=C(C)CNC(=O)CCCCC=O 5507aa6063ef1c86720e9615f61929bd [0,1,0,0,0,0|2,0,1]=4 1408 B12R0.255 C=C(C)CNC(=O)CCCCCC 5b4749c3394edf46636a663916cd1472 [0,1,0,0,0,0|1,0,0]=2 1409 B12R0.255 C=C(C)CNC(=O)CCCCCF 72d220c267b14ed3ff0eb41fcd8082cb [0,1,0,0,0,0|2,0,0]=3 1410 B12R0.255 C=C(C)CNC(=O)CCCCCO 8d17b292e247e2479c405532af09e284 [0,1,0,0,0,0|2,0,0]=3 1411 B12R0.255 C=C(C)CNC(=O)CCCCCS 57ee38116e935f6b36ac438380c8e9e2 [0,1,0,0,0,0|2,0,0]=3 1412 B12R0.255 C=C(C)CNC(=O)CCCSSC d1f8136f7a030b47bd7e1683b084bf67 [0,1,0,0,0,0|3,0,0]=4 1413 B12R0.255 C=C(C)CNC(=O)CCOCCC d051c743b784722028747d8a78cd3b77 [0,1,0,0,0,0|2,0,0]=3 1414 B12R0.255 C=C(C)CNC(=O)CCOCCO b9b28afeb9f0e7110413dcbb77a34a9c [0,1,0,0,0,0|3,0,0]=4 1415 B12R0.255 C=C(C)CNC(=O)CCOCCS 74956ef3c1c5a52dfd9de4ea807cbb56 [0,1,0,0,0,0|3,0,0]=4 1416 B12R0.255 C=C(C)CNC(=O)COCCCC 77a290cebe609db0502a77a85536a318 [0,1,0,0,0,0|2,0,0]=3 1417 B12R0.255 C=C(C)CNC(=O)COCCOC c4d7597bfb3576f92324eadadc68396f [0,1,0,0,0,0|3,0,0]=4 1418 B12R0.255 C=C(C)CNC(=O)COCCSC a46d52ead3707864cd27c1d447486b06 [0,1,0,0,0,0|3,0,0]=4 1419 B12R0.255 C=C(C)CNC(=O)CSCCCC 0bad052cddc403eaf0bf5286e56e9d54 [0,1,0,0,0,0|2,0,0]=3 1420 B12R0.255 C=C(C)CNC(=O)CSCCOC 32bd85b0526be44b685bd97b8f29cade [0,1,0,0,0,0|3,0,0]=4 1421 B12R0.255 C=C(C)CNC(=O)NCCCCC 9e0c6b7725f1fc15a144447c2c3df236 [0,1,0,0,0,0|2,0,0]=3 1422 B12R0.255 C=C(C)CNC(=O)NCCCCN 47f5dbd5cddfb7c740ff992e1b819ee2 [0,1,0,0,0,0|3,0,0]=4 1423 B12R0.255 C=C(C)CNC(=O)NCCCCO ac954174f701f424a8866a5683f56144 [0,1,0,0,0,0|3,0,0]=4 1424 B12R0.255 C=C(C)CNC(=O)NCCCCS 59959daaf149edaeb5a365b77abbde13 [0,1,0,0,0,0|3,0,0]=4 1425 B12R0.255 C=C(C)CNC(=O)NCCCOC 33aff31f47f8be48d8652195f59e8496 [0,1,0,0,0,0|3,0,0]=4 1426 B12R0.255 C=C(C)CNC(=O)NCCCSC 7d65675243b23a037b671ff6f8caa037 [0,1,0,0,0,0|3,0,0]=4 1427 B12R0.255 C=C(C)CNC(=O)NCCOCC 76181f76529367b8a75011f038ede340 [0,1,0,0,0,0|3,0,0]=4 1428 B12R0.255 C=C(C)CNC(=O)NCCSCC 653ab0bb01267179ab28d10051dd5632 [0,1,0,0,0,0|3,0,0]=4 1429 B12R0.255 C=C(C)CNC(=S)NCCCCC a20610e3dde9ba3d3da95d4345eca8c2 [0,1,0,0,0,0|2,1,0]=4 1430 B12R0.255 C=C(C)CNC(C)CCCCCC cc90a95ca839a3702152d9c91e722c58 [0,1,0,0,0,0|2,0,1]=4 1431 B12R0.255 C=C(C)CN[C@@H](C)CCCCCC c524b75adeb25043c038a5ab6ad8e9e1 [0,1,0,0,0,0|2,0,1]=4 1432 B12R0.255 C=C(C)CN[C@H](C)CCCCCC d7682a4a2c698d757c1c08092754f0c7 [0,1,0,0,0,0|2,0,1]=4 1433 B12R0.255 C=C(C)COC(C)CCCCCC f49b5aab41ed12e6fac188243b062752 [0,1,0,0,0,0|1,0,1]=3 1434 B12R0.255 C=C(C)COC(C)COCCCC 243925e246f7ac26c4689e0c4ab45ad4 [0,1,0,0,0,0|2,0,1]=4 1435 B12R0.255 C=C(C)CO[C@@H](C)CCCCCC 2f07db065620fd9e5bd37cfdefb71ba6 [0,1,0,0,0,0|1,0,1]=3 1436 B12R0.255 C=C(C)CO[C@H](C)CCCCCC 9746dba1c428b1a09cc664529ec898b9 [0,1,0,0,0,0|1,0,1]=3 1437 B12R0.255 C=C(Cl)CNC(C)CCCCCC f86189d416d3bab56aed7374b9404ab8 [0,1,0,0,0,0|2,0,1]=4 1438 B12R0.255 C=C(Cl)CN[C@@H](C)CCCCCC 018ed4686590f045dc5dbef11d58a75c [0,1,0,0,0,0|2,0,1]=4 1439 B12R0.255 C=C(Cl)CN[C@H](C)CCCCCC fc89bd72110496c873935dfee39d5591 [0,1,0,0,0,0|2,0,1]=4 1440 B12R0.255 C=C(Cl)COC(C)CCCCCC b0b2debdd7feff36667c3130b6827ba2 [0,1,0,0,0,0|1,0,1]=3 1441 B12R0.255 C=C(Cl)COC(C)COCCCC 19856b5f43fa57a48fd8beb4bf77b831 [0,1,0,0,0,0|2,0,1]=4 1442 B12R0.255 C=C(Cl)CO[C@@H](C)CCCCCC 008ad4afffcb0987d347db98da422796 [0,1,0,0,0,0|1,0,1]=3 1443 B12R0.255 C=C(Cl)CO[C@H](C)CCCCCC 7ce5b6c485a36755997cf7f5847b8647 [0,1,0,0,0,0|1,0,1]=3 1444 B12R0.255 C=C(I)COC(C)CCCCCC 864cf0afcc40ba623f028ac845176441 [0,1,0,0,0,0|1,0,1]=3 1445 B12R0.255 C=CCCCCC(=O)NCC(=C)Br ef403cb77b063aa278e90c867e55b4fd [0,1,0,0,0,0|1,0,2]=4 1446 B12R0.255 C=CCCCCC(=O)NCC(=C)C 06bea18d9c6aad88c8bee07b2c999ee2 [0,1,0,0,0,0|1,0,2]=4 1447 B12R0.255 CC(=O)CNC(=O)CCCCCF 71cba2bc4f78dd6b5700361ad61c51a8 [0,1,0,0,0,0|2,0,1]=4 1448 B12R0.255 CC(=O)CNC(=O)CCCCCO fb79e39591afd61992c97df3a203b711 [0,1,0,0,0,0|2,0,1]=4 1449 B12R0.255 CC(=O)CNC(=O)CCCCCS e81e8ab0dbd4fa11da8264f2b1de48c6 [0,1,0,0,0,0|2,0,1]=4 1450 B12R0.255 CCCCCCC(=O)NCC(=O)C 66b5691a9bf4e73254f9c1ed646b5502 [0,1,0,0,0,0|1,0,1]=3 1451 B12R0.255 CCCCCCC(=O)NCC(=O)N c28e0f6350ffba98f121e39a5c7db2f0 [0,1,0,0,0,0|2,0,0]=3 1452 B12R0.255 CCCCCCC(=O)NCC(C)C 0c5152eb0e826684d1d413b677c75710 [0,1,0,0,0,0|1,0,2]=4 1453 B12R0.255 CCCCCCC(=O)NCC(C)O c1979e8648c94a347dab72d9885f0875 [0,1,0,0,0,0|1,0,2]=4 1454 B12R0.255 CCCCCCC(=O)NCC(F)F 07757e75cec1ab96bb876760a2faac06 [0,1,0,0,0,0|2,0,1]=4 1455 B12R0.255 CCCCCCC(=O)NC[C@@H](C)O 4e14730ab63dec4b35220e51bd599649 [0,1,0,0,0,0|1,0,2]=4 1456 B12R0.255 CCCCCCC(=O)NC[C@H](C)O b6fabc3eb769298d953797ac157bdffe [0,1,0,0,0,0|1,0,2]=4 1457 B12R0.255 CCCCCCC(C)OCC(=O)C b3baaea0fb3783bcad6572d0d40ddc26 [0,1,0,0,0,0|1,0,2]=4 1458 B12R0.255 CCCCCCC(C)OCC(=O)N a86f7680ffa7349546a3b07d5eda903e [0,1,0,0,0,0|2,0,1]=4 1459 B12R0.255 CCCCCCC(C)OCC(=O)O bf6da62cb517a7400bc7e361626de98d [0,1,0,0,0,0|2,0,1]=4 1460 B12R0.255 CCCCCC[C@@H](C)OCC(=O)N 583231045a65372222361cef47970a12 [0,1,0,0,0,0|2,0,1]=4 1461 B12R0.255 CCCCCC[C@@H](C)OCC(=O)O 6a2cc292694e77902215affab05046db [0,1,0,0,0,0|2,0,1]=4 1462 B12R0.255 CCCCCC[C@H](C)OCC(=O)N aab385a642625d73d6dcd99846660ae1 [0,1,0,0,0,0|2,0,1]=4 1463 B12R0.255 CCCCCC[C@H](C)OCC(=O)O a23bbfbc06cec00fc6872e21388755e1 [0,1,0,0,0,0|2,0,1]=4 1464 B12R0.255 CCCCCNC(=O)CCC(=O)C ae21b9b863047306be7a4865d5b704f2 [0,1,0,0,0,0|2,0,1]=4 1465 B12R0.255 CCCCCNC(=O)CCC(=O)N 43037e3ccc24b5037aeea792600b9be3 [0,1,0,0,0,0|3,0,0]=4 1466 B12R0.255 CCCCCNC(=O)NCC(=O)C 303ff37dd0ea906b436989f0d8af4cbb [0,1,0,0,0,0|2,0,1]=4 1467 B12R0.255 CCCCCNC(=O)NCC(=O)N faabc296291194819e02fbe76f37c9af [0,1,0,0,0,0|3,0,0]=4 1468 B12R0.255 CCCCCNC(=O)NCC(=O)O 17a0fa1e7118ad81f7b64d587c720f3e [0,1,0,0,0,0|3,0,0]=4 1469 B12R0.255 CCCCNCC(=O)CCC(=O)O 5a15690a0089720a8446c863784b18af [0,1,0,0,0,0|3,0,0]=4 1470 B12R0.255 CCCCNCC(=O)NCC(=O)C 7aa47bfedff6a669e1c6fdb36925546b [0,1,0,0,0,0|2,0,1]=4 1471 B12R0.255 CCCCNCC(=O)NCC(=O)O fa3ad82f70d50dc3386a384e3b7276b3 [0,1,0,0,0,0|3,0,0]=4 1472 B12R0.255 CCCCOCC(=O)CCC(=O)O 91360323003909faef231d94841ad9a7 [0,1,0,0,0,0|3,0,0]=4 1473 B12R0.255 CCCCOCC(=O)NCC(=O)C d44ebe4cbf19de7113a5ca4b74d5eb77 [0,1,0,0,0,0|2,0,1]=4 1474 B12R0.255 CCCCOCC(=O)NCC(=O)N 364b9c7ca3a16d6048cc74a266292f1b [0,1,0,0,0,0|3,0,0]=4 1475 B12R0.255 CCCCOCC(=O)NCC(=O)O e18d462201bc4004e6d9784269ec241b [0,1,0,0,0,0|3,0,0]=4 1476 B12R0.255 CCCCSCC(=O)NCC(=O)C e31a14eb1ead33852b77e3bae9a1121e [0,1,0,0,0,0|2,0,1]=4 1477 B12R0.255 CCCCSCC(=O)NCC(=O)N d71b77d7ca7605cab411b57dffe2aaf4 [0,1,0,0,0,0|3,0,0]=4 1478 B12R0.255 CCCOCCC(=O)NCC(=O)C 13f3d55c7b81aa65bf9b911294419f15 [0,1,0,0,0,0|2,0,1]=4 1479 B12R0.255 CCCOCCC(=O)NCC(=O)N 66ae920fe0a2795e9be5232783afb557 [0,1,0,0,0,0|3,0,0]=4 1480 B12R0.255 NC(=O)CNC(=O)CCCCCF d7503ecde10b8a77a97919d5b6282a9c [0,1,0,0,0,0|3,0,0]=4 1481 B12R0.255 NC(=O)CNC(=O)CCCCCO eca5498cc3c49c5ad50f50fe6449cfe2 [0,1,0,0,0,0|3,0,0]=4 1482 B12R0.255 NC(=O)CNC(=O)CCCCCS 0e7adf8fa6c52d714498cf0377db7a02 [0,1,0,0,0,0|3,0,0]=4 1483 B12R0.585 C=CCOC(C)(C)COCCCC ec9ca4e7b303a59ff5c2646a0e86cbc5 [0,1,0,0,0,0|2,0,1]=4 1484 B12R0.648 C#CCCN[C@@H](C)C(=O)OCC=C ad4f3c7b4736f4ed1d90630fdaa75fac [0,1,0,0,0,0|1,0,2]=4 1485 B12R0.648 C#CCNC(=O)C(O)CCCCC 9d270bb825a5c12c59e70f4f71c4f007 [0,1,0,0,0,0|1,0,2]=4 1486 B12R0.648 C=C/C=C/C(=O)N(C)CCCCC 087f1f1ce8edc9286adb8f0343b6094e [0,1,0,0,0,0|2,0,1]=4 1487 B12R0.648 C=C/C=C\C(=O)N(C)CCCCC 77901d92b675e5490622dfab406bf5a6 [0,1,0,0,0,0|2,0,1]=4 1488 B12R0.648 C=CC=CC(=O)N(C)CCCCC b602f16085d45dd9796c925c44049a2d [0,1,0,0,0,0|2,0,1]=4 1489 B12R0.648 C=CCCC(=O)C(=O)NCCCC a04529acd81aa4c28c19d8b8836789e0 [0,1,0,0,0,0|2,0,1]=4 1490 B12R0.648 C=CCCC(=O)N(C)CCCCC 520775221fd296bddfa1041b0344faaf [0,1,0,0,0,0|2,0,0]=3 1491 B12R0.648 C=CCCC(=O)N(C)CCCCO 8fa11b19042f6588aa2fae1531e2edb5 [0,1,0,0,0,0|3,0,0]=4 1492 B12R0.648 C=CCCC(=O)N(C)CCCOC 9adc5885efc0bf3a658dd75439250160 [0,1,0,0,0,0|3,0,0]=4 1493 B12R0.648 C=CCCC(=O)N(C)CCOCC 6c2bfcf6cae00cccf97a32c5d84f656a [0,1,0,0,0,0|3,0,0]=4 1494 B12R0.648 C=CCCN(C)C(C)CCCCC 1efc8bdbd1c2594f58212c219dccdd61 [0,1,0,0,0,0|3,0,0]=4 1495 B12R0.648 C=CCCN(C)[C@@H](C)CCCCC a83cff72c42eb5a9b1a94d3bb0e4b7cc [0,1,0,0,0,0|3,0,0]=4 1496 B12R0.648 C=CCCN[C@@H](C)C(=O)OCC=C 14af1dace0acb4e50d757b33b48327ec [0,1,0,0,0,0|1,0,2]=4 1497 B12R0.648 C=CCNC(=O)C(C)NCCCC c7bb4d2a84cac447f6cf0799cbd2f865 [0,1,0,0,0,0|2,0,0]=3 1498 B12R0.648 C=CCNC(=O)C(C)NCCCCl 9de96adef266215f33badc64da7a7ebb [0,1,0,0,0,0|3,0,0]=4 1499 B12R0.648 C=CCNC(=O)C(C)NCCCO 1ec00b92b6f76a39094d8d40d1c13753 [0,1,0,0,0,0|3,0,0]=4 1500 B12R0.648 C=CCNC(=O)C(C)NCCOC aa3e116cb6b9eb342a692d45f49a6299 [0,1,0,0,0,0|3,0,0]=4 1501 B12R0.648 C=CCNC(=O)C(C)NCCSC 25fbcebae712db6bae46c55030e55e98 [0,1,0,0,0,0|3,0,0]=4 1502 B12R0.648 C=CCNC(=O)C(C)OCCCC 1144b52f187f41826ecb65262696cf11 [0,1,0,0,0,0|2,0,0]=3 1503 B12R0.648 C=CCNC(=O)C(C)OCCCF c6032e259df73ffea3c0a663b90ba83e [0,1,0,0,0,0|3,0,0]=4 1504 B12R0.648 C=CCNC(=O)C(C)OCCCS c62a8830db0f6dd51dc2216846b4bcc2 [0,1,0,0,0,0|3,0,0]=4 1505 B12R0.648 C=CCNC(=O)C(C)OCCOC 4ea79aea78f6473d47c79ff1bc86da54 [0,1,0,0,0,0|3,0,0]=4 1506 B12R0.648 C=CCNC(=O)C(C)OCCSC 672232354049e1b84f761040bdba887a [0,1,0,0,0,0|3,0,0]=4 1507 B12R0.648 C=CCOC(=O)[C@H](C)NC/C=C/C 1e78fa9f4c957a7a94bf26c04fc07b52 [0,1,0,0,0,0|1,0,2]=4 1508 B12R0.648 C=CCOC(=O)[C@H](C)NC/C=C\C 76ec26d36e344a0429cabf0998235f80 [0,1,0,0,0,0|1,0,2]=4 1509 B12R0.648 C=CCOC(=O)[C@H](C)NCCC#N 03972d3ae898cf9409461d2c15bfedf9 [0,1,0,0,0,0|2,0,1]=4 1510 B12R0.648 C=CCOC(=O)[C@H](C)NCCC=O fb6aaad1e460f5455cc7316c97b44ae6 [0,1,0,0,0,0|2,0,1]=4 1511 B12R0.648 C=CCOC(=O)[C@H](C)NCCCC 6b7b14c58984ba2a7c5646a62190b03d [0,1,0,0,0,0|1,0,0]=2 1512 B12R0.648 C=CCOC(=O)[C@H](C)NCCCF bdb14488cc1f28d147ee3ac242ea95ef [0,1,0,0,0,0|2,0,0]=3 1513 B12R0.648 C=CCOC(=O)[C@H](C)NCCCO bcf8143a782cf5ca86db8d84edaa2647 [0,1,0,0,0,0|2,0,0]=3 1514 B12R0.648 C=CCOC(=O)[C@H](C)NCCCS a49fa17f1bdaf662223aceeb6d41df79 [0,1,0,0,0,0|2,0,0]=3 1515 B12R0.648 C=CCOC(=O)[C@H](C)NCCOC e7c16c64256daab0af5679eb4b366b18 [0,1,0,0,0,0|2,0,0]=3 1516 B12R0.648 C=CCOC(=O)[C@H](C)NCCSC 6f86064a17deb90347b263c5a994dcb1 [0,1,0,0,0,0|2,0,0]=3 1517 B12R0.648 C=CCOC(=O)[C@H](C)NCOCC f43aca50f2da09b7ec588c7bf65c7413 [0,1,0,0,0,0|2,0,0]=3 1518 B12R0.648 CCCCCC(O)C(=O)NCCBr 3a634e891d46dc26e064d4738422f68f [0,1,0,0,0,0|2,0,1]=4 1519 B12R0.648 CCCCCC(O)C(=O)NCCC 2fd994a0f1156eb7baae1c2719d13c11 [0,1,0,0,0,0|1,0,2]=4 1520 B12R0.648 CCCCCC(O)C(=O)NCCF fd79112c59cbd4470b58c29f5f2e1663 [0,1,0,0,0,0|2,0,1]=4 1521 B12R0.648 CCCCCC(O)C(=O)NCCI f1ae2b13cbc1ebf9ec58104470d94a44 [0,1,0,0,0,0|2,0,1]=4 1522 B12R0.648 CCCCCC(O)C(=O)NCCO f00c7bf0ff8cca8995bba730431253e0 [0,1,0,0,0,0|2,0,1]=4 1523 B12R0.648 CCCCCC(O)C(=O)NCCS 080cb00524ed452ca6402d2c707e0aa2 [0,1,0,0,0,0|2,0,1]=4 1524 B12R0.648 CCCCCN(C)C(=O)CCC=O e320858ba8b477c1d01486a4e3c34ac8 [0,1,0,0,0,0|3,0,0]=4 1525 B12R0.648 CCCCNC(C)C(=O)OCCC 72e5ecde69f1c450cf1966dcec87c642 [0,1,0,0,0,0|1,0,2]=4 1526 B12R0.648 CCCCN[C@@H](C)C(=O)OCCC 65ea24b695138ad698027545e262ca43 [0,1,0,0,0,0|1,0,2]=4 1527 B12R0.648 CCCCOC(C)C(=O)OCCC a469c0b62bfab3caa83a1ab0b7ae6134 [0,1,0,0,0,0|1,0,2]=4 1528 B12R0.648 CCCCO[C@@H](C)C(=O)OCCC 565040bfb203ee4ec6ce02ae317071f6 [0,1,0,0,0,0|1,0,2]=4 1529 B12R1.8 CCCCCCN1CC=CCC1 67362ac0f458c62c0fdd87111e43e87d [0,0,0,1,0,0|3,0,0]=4 1530 B12R1.8 CCOCCCC1=CCC=CC1 c736e524db2f6bc6d387404d01ab523e [0,0,0,1,0,0|3,0,0]=4 1531 B12R1.30 C=CCCC(=O)N1CCCOC1 4a6e953c642a827beac53eee73d46853 [0,0,0,1,0,0|3,0,0]=4 1532 B12R1.30 C=CCCC(=O)N1CCCSC1 01638efbb9e3f8adf5092a86906de44d [0,0,0,1,0,0|3,0,0]=4 1533 B12R1.30 C=CCCC(=O)N1CCOCC1 40d75e432aac5b6fca21522a82d89231 [0,0,0,1,0,0|3,0,0]=4 1534 B12R1.30 C=CCCC(=O)N1CCSCC1 bcc968dcf14cbc1ddde237af52adeb8e [0,0,0,1,0,0|3,0,0]=4 1535 B12R1.30 C=CCCN(C)C1CCCCC1 5ac964ee7ed1f05f3bbe210b11955bc4 [0,0,0,1,0,0|3,0,0]=4 1536 B12R1.30 C=CCNC(C)C1CCCCC1 6b9898c1708c1f62b5d959298d9df25e [0,0,0,1,0,0|2,0,1]=4 1537 B12R1.30 C=CCN[C@@H](C)C1CCCCC1 5774a4b0f498cd794d635ab9ac93a41c [0,0,0,1,0,0|2,0,1]=4 1538 B12R1.30 C=CCN[C@H](C)C1CCCCC1 04f47cb01200ceed6b89b958fa031f22 [0,0,0,1,0,0|2,0,1]=4 1539 B12R1.30 C=CCOC(C)C1CCCCC1 5ae10fe125204dcbf77b6fa77f551aaa [0,0,0,1,0,0|1,0,1]=3 1540 B12R1.30 C=CCOC(C)C1CCOCC1 27ea49bbf51568809266df79318a85e7 [0,0,0,1,0,0|2,0,1]=4 1541 B12R1.30 C=CCO[C@@H](C)C1CCCCC1 3dbe5025d5b42e08ff30dcc74f7b0fbb [0,0,0,1,0,0|1,0,1]=3 1542 B12R1.30 C=CCO[C@@H](C)C1CCOCC1 e967f9f12e9194c69158193f6906985a [0,0,0,1,0,0|2,0,1]=4 1543 B12R1.30 C=CCO[C@H](C)C1CCCCC1 a7b7b1140be82d141b35eafcfcea160c [0,0,0,1,0,0|1,0,1]=3 1544 B12R1.30 C=CCO[C@H](C)C1CCOCC1 76c7ac66e9db0f7fb1a0c8d06fca2f51 [0,0,0,1,0,0|2,0,1]=4 1545 B12R1.30 CC(OCC=O)C1CCCCC1 eb4a57c90eb0d325c434204dd331ccf4 [0,0,0,1,0,0|2,0,1]=4 1546 B12R1.30 C[C@@H](OCC=O)C1CCCCC1 ef6115a18f0f89f7923600b2badb6e31 [0,0,0,1,0,0|2,0,1]=4 1547 B12R1.30 C[C@H](OCC=O)C1CCCCC1 7d706367dc1192609f973893582bd8e9 [0,0,0,1,0,0|2,0,1]=4 1548 B12R1.53 C#CCNC(=O)CC1CCCC1 e3b7d12fb40621ceb1ca2b804ad32646 [0,0,0,1,0,0|1,0,2]=4 1549 B12R1.53 C=C/C=C/C(=O)NC1CCCC1 df377fbae40d89fc99c4739aa96cef8d [0,0,0,1,0,0|2,0,1]=4 1550 B12R1.53 C=C/C=C\C(=O)NC1CCCC1 e70e1a0d027e613c9ccdf9ef476d8e35 [0,0,0,1,0,0|2,0,1]=4 1551 B12R1.53 C=CC=CC(=O)NC1CCCC1 85bdc4e753e2a0248c726c1ef2b03d25 [0,0,0,1,0,0|2,0,1]=4 1552 B12R1.53 C=CCCC(=O)NC1CCCC1 290f1015f72e8ce9933a2fd43067af5c [0,0,0,1,0,0|2,0,0]=3 1553 B12R1.53 C=CCCC(=O)NC1CCOC1 a83e85e43bb59bae8f5eafef5671117b [0,0,0,1,0,0|3,0,0]=4 1554 B12R1.53 C=CCCC(=O)NC1CCSC1 57704f2e19e5330a1fad31e752831693 [0,0,0,1,0,0|3,0,0]=4 1555 B12R1.53 C=CCCC(=O)N[C@@H]1CCOC1 bae4c2412ebc76e3174cab5696ef6567 [0,0,0,1,0,0|3,0,0]=4 1556 B12R1.53 C=CCCC(=O)N[C@H]1CCOC1 1c4daf6b6b1fbc725791c2b38ea87add [0,0,0,1,0,0|3,0,0]=4 1557 B12R1.53 C=CCCN(C)CC1CCCC1 d8a420cad5362e121c4a18d88ae74162 [0,0,0,1,0,0|3,0,0]=4 1558 B12R1.53 C=CCNC(=O)CN1CCSC1 7e1374443259f63c68d986d5ec6983ea [0,0,0,1,0,0|3,0,0]=4 1559 B12R1.53 C=CCNC(C)CC1CCCC1 482aab14c0dc66b52cd8407e5c2f5882 [0,0,0,1,0,0|2,0,1]=4 1560 B12R1.53 C=CCOC(=O)CN1CC=CC1 2c5233674fc5017d3d88b7ea24874433 [0,0,0,1,0,0|1,0,2]=4 1561 B12R1.53 C=CCOC(=O)CN1CCSC1 d91b352fa514e7218718a3824640c2f8 [0,0,0,1,0,0|2,0,0]=3 1562 B12R1.53 C=CCOC(C)CN1CCCC1 e21cd3ad9963e925aa76ab7d1f414178 [0,0,0,1,0,0|2,0,1]=4 1563 B12R1.53 C=CCO[C@@H](C)CN1CCCC1 ef08de97a47e63be21f5ba6cfc32fc20 [0,0,0,1,0,0|2,0,1]=4 1564 B12R1.53 C=CCO[C@H](C)CN1CCCC1 1f1d42ee1c5c08084e5781dcd8875711 [0,0,0,1,0,0|2,0,1]=4 1565 B12R1.53 CCCNC(=O)CC1CCCC1 e2db722e161f5a6705dabff4a3660970 [0,0,0,1,0,0|1,0,2]=4 1566 B12R1.53 N#CCNC(=O)CC1CCCC1 1b18c996d4c6035a6f4c61bff45633d1 [0,0,0,1,0,0|2,0,1]=4 1567 B12R1.53 O=C(CC1CCCC1)NCCBr ccb1db97a0f14f3a1b44fbf161c34e51 [0,0,0,1,0,0|2,0,1]=4 1568 B12R1.53 O=C(CC1CCCC1)NCCF f6304bd17f396a263286c8554a300144 [0,0,0,1,0,0|2,0,1]=4 1569 B12R1.53 O=C(CC1CCCC1)NCCI fa5b02dc92d74ebfcfd35916dfdc9661 [0,0,0,1,0,0|2,0,1]=4 1570 B12R1.53 O=C(CC1CCCC1)NCCO 45fd9144278c987c73d7d55e50839566 [0,0,0,1,0,0|2,0,1]=4 1571 B12R1.53 O=C(CC1CCCC1)NCCS ba1fb195e80d072920053e52922ed663 [0,0,0,1,0,0|2,0,1]=4 1572 B12R1.53 O=CCCC(=O)NC1CCCC1 e11465194743e27c0d14c03a0e0d46e5 [0,0,0,1,0,0|3,0,0]=4 1573 B12R1.267 CCCCOC1CCCOC1=O 3402da1871c1610f2f40f0fcae99a420 [0,0,0,1,0,0|1,0,2]=4 1574 B12R1.267 CCCCOc1cccoc1=O fbc49b8367347726350d6c0059a469cb [0,0,0,1,0,0|1,0,2]=4 1575 B12R1.329 C=CCCN1CCCCCCC1 20582ea3d22bba237b5e4d64512a5895 [0,0,0,1,0,0|3,0,0]=4 1576 B12R1.329 C=CCNC1CCCCCCC1 7a717f68acc530a60e264db159879ddb [0,0,0,1,0,0|2,0,1]=4 1577 B12R1.329 C=CCOC1/C=C/CCCCC1 e1a89ae0b1ba6f786a0cc1ab8b21e91f [0,0,0,1,0,0|1,0,2]=4 1578 B12R1.329 C=CCOC1/C=C\CCCCC1 46e66e5de629fae927f11271e44ac5d3 [0,0,0,1,0,0|1,0,2]=4 1579 B12R1.329 C=CCOC1C=CCCCCC1 2b6387f9bf1cd95cdf2746d2cdeda603 [0,0,0,1,0,0|1,0,2]=4 1580 B12R1.329 C=CCOC1CCCCCCC1 09b9f485111d9c85326965927cd5adba [0,0,0,1,0,0|1,0,1]=3 1581 B12R1.329 C=CCO[C@H]1/C=C/CCCCC1 5a2ece90e66d142c48ae871af724415b [0,0,0,1,0,0|1,0,2]=4 1582 B12R1.329 C=CCO[C@H]1/C=C\CCCCC1 c4c8c684c33d23de9a779d6a3f8b078e [0,0,0,1,0,0|1,0,2]=4 1583 B12R1.329 O=CCOC1CCCCCCC1 301af313b3b4ee1539c2597f62b20352 [0,0,0,1,0,0|2,0,1]=4 1584 B12R1.340 C=CCCN1CCC(C1)CCC 686a6569425a85757f357955e7a2d765 [0,0,0,1,0,0|3,0,0]=4 1585 B12R1.382 C=CCCN1CCCC(C1)CC 7bbd0007c67e480b990604816ffb4799 [0,0,0,1,0,0|3,0,0]=4 1586 B12R1.382 C=CCOC1CCCC(C1)CC 58be460646c4115fe19cadf81e55b923 [0,0,0,1,0,0|1,0,1]=3 1587 B12R1.382 C=CCOC1CCCC(C1)OC 463cf805bde7191f098b2e0e7b08e1cd [0,0,0,1,0,0|2,0,1]=4 1588 B12R1.382 C=CCOC1CCCN(C1)CC 6dc03fd49a1fb21785df5f1a246997d2 [0,0,0,1,0,0|2,0,1]=4 1589 B12R1.382 C=CCO[C@H]1CCC[C@@H](C1)OC 82dc8b8b5bf7ca040b561b88c4f13276 [0,0,0,1,0,0|2,0,1]=4 1590 B12R1.382 C=CCO[C@H]1CCC[C@H](C1)OC 7524d2b28d92d2ef0954fdc5d9223e26 [0,0,0,1,0,0|2,0,1]=4 1591 B12R1.382 CCC1CCCC(C1)OCC=O 98465a06ac7d5b9abab353a485231946 [0,0,0,1,0,0|2,0,1]=4 1592 B12R1.460 C=C/C=C/C(=O)N1CCCC1C a90394969e1e99ea0992a8f338de6360 [0,0,0,1,0,0|2,0,1]=4 1593 B12R1.460 C=C/C=C/C(=O)N1CCC[C@@H]1C 428493f84bc9713ddbf48259aa876fd7 [0,0,0,1,0,0|2,0,1]=4 1594 B12R1.460 C=C/C=C/C(=O)N1CCC[C@H]1C b93c8555df20a60225932be345fcb2d4 [0,0,0,1,0,0|2,0,1]=4 1595 B12R1.460 C=C/C=C\C(=O)N1CCCC1C 6d070fb1b7efec7e52fad5f6f15b4f0b [0,0,0,1,0,0|2,0,1]=4 1596 B12R1.460 C=C/C=C\C(=O)N1CCC[C@@H]1C 78c5131616b4edd425dc942dc06ffba1 [0,0,0,1,0,0|2,0,1]=4 1597 B12R1.460 C=C/C=C\C(=O)N1CCC[C@H]1C de075102dbec0a55c61bcffa57b17163 [0,0,0,1,0,0|2,0,1]=4 1598 B12R1.460 C=CC=CC(=O)N1CCCC1C a0b5a4ede5fad4e92c3e541c46eec1cf [0,0,0,1,0,0|2,0,1]=4 1599 B12R1.460 C=CC=CC(=O)N1CCC[C@@H]1C 4bbb89ba2f8a2f0472e5fb8641c0ed1d [0,0,0,1,0,0|2,0,1]=4 1600 B12R1.460 C=CC=CC(=O)N1CCC[C@H]1C b12e5eb10376272f48e8c508cdf1e49d [0,0,0,1,0,0|2,0,1]=4 1601 B12R1.460 C=CCCC(=O)N1CCCC1C b0116f7e1d34b7fa024865a709328125 [0,0,0,1,0,0|2,0,0]=3 1602 B12R1.460 C=CCCC(=O)N1CCCC1O 80c8fef7b020e288ff17850f785a2077 [0,0,0,1,0,0|3,0,0]=4 1603 B12R1.460 C=CCCC(=O)N1CCC[C@@H]1C 4f6aa9e2e0553e37558a8ff2fddeaad4 [0,0,0,1,0,0|2,0,0]=3 1604 B12R1.460 C=CCCC(=O)N1CCC[C@H]1C 262a3126673c16af38496ad4c16d727a [0,0,0,1,0,0|2,0,0]=3 1605 B12R1.460 C=CCCC(=O)N1CCSC1C 492db2142b6e1f72741416535c283607 [0,0,0,1,0,0|3,0,0]=4 1606 B12R1.460 C=CCOC(C)[C@@H]1CCCN1C a3723d3a6e85f49167c917fdb9f8eda4 [0,0,0,1,0,0|2,0,1]=4 1607 B12R1.460 C=CCO[C@@H](C)[C@@H]1CCCN1C 6395061a04545e5d6165e2c4b4ad0ccc [0,0,0,1,0,0|2,0,1]=4 1608 B12R1.460 CC1CCCN1C(=O)CCC=O 6d28c9ee41bdea89e0752dbc0da758e2 [0,0,0,1,0,0|3,0,0]=4 1609 B12R1.460 C[C@@H]1CCCN1C(=O)CCC=O a746271a6e645e8289d34051b141e7f4 [0,0,0,1,0,0|3,0,0]=4 1610 B12R1.460 C[C@H]1CCCN1C(=O)CCC=O 3733ef52ede28900acdfeb055ab832b3 [0,0,0,1,0,0|3,0,0]=4 1611 B12R1.461 C=C/C=C/C(=O)N1CCC1CC 4bb7e48b7d2130834c4bcd638b0d3642 [0,0,0,1,0,0|2,0,1]=4 1612 B12R1.461 C=C/C=C\C(=O)N1CCC1CC 7b1d1a635cf292c1df86fbe996246a8c [0,0,0,1,0,0|2,0,1]=4 1613 B12R1.461 C=CC=CC(=O)N1CCC1CC b761ae9369bf12b3a239e041012a224c [0,0,0,1,0,0|2,0,1]=4 1614 B12R1.461 C=CCCC(=O)N1CCC1CC 44aa3bebee0f67f1323c345e1b1fd0b2 [0,0,0,1,0,0|2,0,0]=3 1615 B12R1.461 C=CCCC(=O)N1CCC1CO 796cb29f15f0df4218f5916471101ff7 [0,0,0,1,0,0|3,0,0]=4 1616 B12R1.461 C=CCCC(=O)N1CC[C@@H]1CO 018337e0f69e291c55c6ab6db71a290f [0,0,0,1,0,0|3,0,0]=4 1617 B12R1.461 C=CCCC(=O)N1CC[C@H]1CO 4c40aa38cae6673c1be9189b25a713a6 [0,0,0,1,0,0|3,0,0]=4 1618 B12R1.461 CCC1CCN1C(=O)CCC=O f5702d4895adade86fa2eca3faaa632b [0,0,0,1,0,0|3,0,0]=4 1619 B12R1.463 C=C/C=C/C(=O)NCC1CCC1 bdfe7a95ed5a4a06b92c34fcf265bccc [0,0,0,1,0,0|2,0,1]=4 1620 B12R1.463 C=C/C=C\C(=O)NCC1CCC1 1ccf381c226e8d917dcef4cf3145fa9a [0,0,0,1,0,0|2,0,1]=4 1621 B12R1.463 C=CC=CC(=O)NCC1CCC1 5f4b8dfeeea998372e4947abcb0a070c [0,0,0,1,0,0|2,0,1]=4 1622 B12R1.463 C=CCCC(=O)NCC1CCC1 0376e12114a0481df299de078acb8581 [0,0,0,1,0,0|2,0,0]=3 1623 B12R1.463 C=CCCC(=O)NCC1CCO1 17162fce32ff53b2ec1e83bd2feae1e6 [0,0,0,1,0,0|3,0,0]=4 1624 B12R1.463 C=CCCC(=O)NCC1COC1 ff90186b39fab341a391e4fe8a7bbbfe [0,0,0,1,0,0|3,0,0]=4 1625 B12R1.463 C=CCCC(=O)NC[C@@H]1CCO1 38eff01cc8c43d1caef965e87297d68b [0,0,0,1,0,0|3,0,0]=4 1626 B12R1.463 C=CCCC(=O)NC[C@H]1CCO1 bc624c714783035c9411cd8992132bd2 [0,0,0,1,0,0|3,0,0]=4 1627 B12R1.463 C=CCCN(C)CCC1CCC1 f02253aa7cacf5ac088bc172b4ebac02 [0,0,0,1,0,0|3,0,0]=4 1628 B12R1.463 C=CCNC(=O)CCN1CCC1 a60762342a3be1ced204dde3cc034ad1 [0,0,0,1,0,0|2,0,0]=3 1629 B12R1.463 C=CCNC(=O)CNC1CCC1 aec25e584fc5351777acad1f47eb83a0 [0,0,0,1,0,0|2,0,0]=3 1630 B12R1.463 C=CCNC(=O)CNC1COC1 8e0faa06fdff7f7fe1ffdbe764127304 [0,0,0,1,0,0|3,0,0]=4 1631 B12R1.463 C=CCNC(=O)COC1CCC1 583bd5b55e239524689fba64bfb9bc7c [0,0,0,1,0,0|2,0,0]=3 1632 B12R1.463 C=CCNC(=O)COC1COC1 bf8f3a5afa491057bc517fe183297781 [0,0,0,1,0,0|3,0,0]=4 1633 B12R1.463 C=CCNC(=O)COC1CSC1 ff4bee95c88feb3e77b32973c79a6530 [0,0,0,1,0,0|3,0,0]=4 1634 B12R1.463 C=CCOC(=O)CNC1CCC1 c49ca81f579460e9395d7c4f987954ed [0,0,0,1,0,0|1,0,0]=2 1635 B12R1.463 C=CCOC(=O)CNC1COC1 5b5fa31ffc69960c6b8f65c3ed2eddc2 [0,0,0,1,0,0|2,0,0]=3 1636 B12R1.463 C=CCOC(=O)COC1CCC1 8a2be6cd4444d9ebbf37146b4fdd56dd [0,0,0,1,0,0|1,0,0]=2 1637 B12R1.463 C=CCOC(=O)COC1COC1 67d48f3c363d2a0194f96f03299a6a28 [0,0,0,1,0,0|2,0,0]=3 1638 B12R1.463 C=CCOC(=O)COC1CSC1 00e2d57f4eb3f08e2258f4a380625f52 [0,0,0,1,0,0|2,0,0]=3 1639 B12R1.463 CCCNC(=O)CCC1CCC1 f7ae54913b0cc8af19a8869ec6035315 [0,0,0,1,0,0|1,0,2]=4 1640 B12R1.463 CCCOC(=O)CNC1CCC1 ab05365432c9e3c6cab3825d1451d035 [0,0,0,1,0,0|1,0,2]=4 1641 B12R1.463 CCCOC(=O)COC1CCC1 9f45e0d46d80b29f8c56a8aa427424a0 [0,0,0,1,0,0|1,0,2]=4 1642 B12R1.463 O=C(CCC1CCC1)NCCF 1b15c82c7fbc6b9d0971fded133aa300 [0,0,0,1,0,0|2,0,1]=4 1643 B12R1.463 O=C(CCC1CCC1)NCCI 05fec93410b72164ae03796a3fdf5a91 [0,0,0,1,0,0|2,0,1]=4 1644 B12R1.463 O=C(CCC1CCC1)NCCO 9071be662f83f8047256625a0301a127 [0,0,0,1,0,0|2,0,1]=4 1645 B12R1.463 O=C(CCC1CCC1)NCCS 4707699906dcd7791608b793df07b569 [0,0,0,1,0,0|2,0,1]=4 1646 B12R1.463 O=CCCC(=O)NCC1CCC1 42b3ac5dc6b30091ce630677afc7182b [0,0,0,1,0,0|3,0,0]=4 1647 B12R1.464 C#CCNC(=O)CCCC1CC1 aac84852fc98b54878c2ca21495fc509 [0,0,0,1,0,0|1,0,2]=4 1648 B12R1.464 C=C/C=C/C(=O)NCCC1CC1 447cfefee90ebd5718c5563169da8cd8 [0,0,0,1,0,0|2,0,1]=4 1649 B12R1.464 C=C/C=C\C(=O)NCCC1CC1 1538f3c7584cd1c6701132aacdc190a7 [0,0,0,1,0,0|2,0,1]=4 1650 B12R1.464 C=CC=CC(=O)NCCC1CC1 eeb5be7c2d598b1339814956ca1e5c1f [0,0,0,1,0,0|2,0,1]=4 1651 B12R1.464 C=CCCC(=O)NCCC1CC1 cd7975ee013236d483af014dc7037121 [0,0,0,1,0,0|2,0,0]=3 1652 B12R1.464 C=CCCC(=O)NCCN1CC1 a3cab517cfe7a6b760d5b07cacc5195c [0,0,0,1,0,0|3,0,0]=4 1653 B12R1.464 C=CCNC(=O)CCNC1CC1 a140cd51574e73a800fd8164c3df5c05 [0,0,0,1,0,0|2,0,0]=3 1654 B12R1.464 C=CCNC(=O)CCOC1CC1 214a686ccf0a59e15f0f9d612f386533 [0,0,0,1,0,0|2,0,0]=3 1655 B12R1.464 C=CCNC(=O)CNCC1CC1 dce07db2a9872649211646237bd6378d [0,0,0,1,0,0|2,0,0]=3 1656 B12R1.464 C=CCNC(=O)COCC1CC1 7533eadf5aefd6822922f277231378a0 [0,0,0,1,0,0|2,0,0]=3 1657 B12R1.464 C=CCOC(=O)CNCC1CC1 787eee502ae87d8631d532ff01e2c457 [0,0,0,1,0,0|1,0,0]=2 1658 B12R1.464 C=CCOC(=O)COCC1CC1 4ffdde6bdcbbab3ac2603d6998d4cc2a [0,0,0,1,0,0|1,0,0]=2 1659 B12R1.464 CCCNC(=O)CCCC1CC1 8632f5c4f2587a22796c49da1d1e8ad6 [0,0,0,1,0,0|1,0,2]=4 1660 B12R1.464 CCCOC(=O)CCOC1CC1 dde870784c6580b27b49e36c42b4c02e [0,0,0,1,0,0|1,0,2]=4 1661 B12R1.464 CCCOC(=O)CNCC1CC1 dd0d6fb12c5ae2ba7aab15279765034a [0,0,0,1,0,0|1,0,2]=4 1662 B12R1.464 CCCOC(=O)COCC1CC1 79caba3dd96d33bd35e1d71408bcbc2b [0,0,0,1,0,0|1,0,2]=4 1663 B12R1.464 N#CCNC(=O)CCCC1CC1 66ed6eba68354f86f32641c56585c860 [0,0,0,1,0,0|2,0,1]=4 1664 B12R1.464 O=C(CCCC1CC1)NCCBr b9ec8f71f807df83cf2e4eb77ee19366 [0,0,0,1,0,0|2,0,1]=4 1665 B12R1.464 O=C(CCCC1CC1)NCCF 7b92784507f3ad87bdf7625602defae7 [0,0,0,1,0,0|2,0,1]=4 1666 B12R1.464 O=C(CCCC1CC1)NCCI 2ec40641acd63bd8bbd3a8a54bb852a1 [0,0,0,1,0,0|2,0,1]=4 1667 B12R1.464 O=C(CCCC1CC1)NCCO c85e8ab7a2a7575d98185cb827a323a5 [0,0,0,1,0,0|2,0,1]=4 1668 B12R1.464 O=C(CCCC1CC1)NCCS d7c7d560765bec0f458d791e14f98bf9 [0,0,0,1,0,0|2,0,1]=4 1669 B12R1.464 O=CCCC(=O)NCCC1CC1 7f5b5986be8d21bd6418827542b6cdf7 [0,0,0,1,0,0|3,0,0]=4 1670 B12R1.466 C#CCNC(=O)CC1CC1CC 034937d12d498f7926ecf9a4e21c70a1 [0,0,0,1,0,0|1,0,2]=4 1671 B12R1.466 C=CCCC(=O)N[C@@H]1C[C@@H]1OC b2faeae597e31080b659a926adbc6d4c [0,0,0,1,0,0|3,0,0]=4 1672 B12R1.466 C=CCCC(=O)N[C@@H]1C[C@H]1CO 9f9029db44e45e4fc92df6b2a2af2349 [0,0,0,1,0,0|3,0,0]=4 1673 B12R1.466 C=CCCC(=O)N[C@H]1C[C@@H]1CO a5662acc9def43983f450119222fb2e7 [0,0,0,1,0,0|3,0,0]=4 1674 B12R1.466 C=CCCC(=O)N[C@H]1C[C@H]1CO 173c0a4965564699de72797e4bd33eb4 [0,0,0,1,0,0|3,0,0]=4 1675 B12R1.466 CCC1CC1CC(=O)NCC#N dd033d129347184d30e7d7f85453113e [0,0,0,1,0,0|2,0,1]=4 1676 B12R1.466 CCC1CC1CC(=O)NCCBr 30a7fe90817968442fdf68c709da5bdd [0,0,0,1,0,0|2,0,1]=4 1677 B12R1.466 CCC1CC1CC(=O)NCCF efa46cd94d49daa4680c19efb41fcdad [0,0,0,1,0,0|2,0,1]=4 1678 B12R1.466 CCC1CC1CC(=O)NCCI ed48647627fb17af287a7c4983e20ac3 [0,0,0,1,0,0|2,0,1]=4 1679 B12R1.466 CCC1CC1CC(=O)NCCO d301529b5ee446536437891766b7c357 [0,0,0,1,0,0|2,0,1]=4 1680 B12R1.466 CCC1CC1CC(=O)NCCS 563d65edc379de6d896fc40683bf4b6d [0,0,0,1,0,0|2,0,1]=4 1681 B12R1.466 CCCNC(=O)CC1CC1CC a79fe7cf3061965e7dfd07a8c3be8357 [0,0,0,1,0,0|1,0,2]=4 1682 B12R1.549 C=CCNC(=O)CNC1CC1C 0a2070f8d76157c23b975a06f220f955 [0,0,0,1,0,0|2,0,0]=3 1683 B12R1.549 C=CCNC(=O)CN[C@@H]1C[C@H]1F 0e928330b9719b18377d069b3cafa162 [0,0,0,1,0,0|3,0,0]=4 1684 B12R1.549 C=CCNC(=O)CN[C@H]1C[C@@H]1F 938d74b76ebc4d9a52c33bbfa660d847 [0,0,0,1,0,0|3,0,0]=4 1685 B12R1.549 C=CCNC(=O)CN[C@H]1C[C@H]1F 9e05dffcc3558fe9549ed7f2d4a2e9da [0,0,0,1,0,0|3,0,0]=4 1686 B12R1.549 C=CCOC(=O)CNC1CC1C 8efeb7591c4b2b062ec7276cea1e2c2c [0,0,0,1,0,0|1,0,0]=2 1687 B12R1.549 C=CCOC(=O)CN[C@@H]1C[C@H]1F 10240a1682424b0910b20b9f54d40720 [0,0,0,1,0,0|2,0,0]=3 1688 B12R1.549 C=CCOC(=O)CN[C@H]1C[C@@H]1F 8f549d29591665302a54bb62e10784a3 [0,0,0,1,0,0|2,0,0]=3 1689 B12R1.549 C=CCOC(=O)CN[C@H]1C[C@H]1F 56f4593c0e879891cdfa90f29fc73680 [0,0,0,1,0,0|2,0,0]=3 1690 B12R1.549 CCCOC(=O)CNC1CC1C e6686344ca051c7b1f0ddd710a94338c [0,0,0,1,0,0|1,0,2]=4 1691 B12R1.561 CCCCCCC(=O)N1CCC1 ec3a17393b3583fd2814dddf5a17342a [0,0,0,1,0,0|1,0,2]=4 1692 B12R1.561 CCCCCNC(=O)C1=CCC1 305b0e98d80709897bda56158ea16cd8 [0,0,0,1,0,0|2,0,1]=4 1693 B12R1.563 CCCCCCC(=O)NC1CC1 8b085195dc5e62d9ee90299f8c862df8 [0,0,0,1,0,0|1,0,2]=4 1694 B12R1.567 CCCCOC1=C(COC1=O)C c62fa854eef2d6277e592ceab51526e4 [0,0,0,1,0,0|1,0,2]=4 1695 B12R1.567 O=C1COC(=O)C1OCCCF 0376fc52d3dbdae68297ce712fa5e232 [0,0,0,1,0,0|3,0,0]=4 1696 B12R1.925 C=C/C=C/C(=O)N[C@@H]1CC[C@H]1C b224ec3120bd9da9aee256d62a5c158b [0,0,0,1,0,0|2,0,1]=4 1697 B12R1.925 C=C/C=C/C(=O)N[C@H]1CC[C@H]1C 0a00e05959d099f2a1db13249022134b [0,0,0,1,0,0|2,0,1]=4 1698 B12R1.925 C=C/C=C\C(=O)N[C@@H]1CC[C@H]1C 4b001c1af8aaa366307eabe00e7ac437 [0,0,0,1,0,0|2,0,1]=4 1699 B12R1.925 C=C/C=C\C(=O)N[C@H]1CC[C@H]1C da110bfc66fc5c2da807508c707ccfb6 [0,0,0,1,0,0|2,0,1]=4 1700 B12R1.925 C=CC=CC(=O)N[C@@H]1CC[C@H]1C 395ce7bdfa93d213679e102c186a60bd [0,0,0,1,0,0|2,0,1]=4 1701 B12R1.925 C=CC=CC(=O)N[C@H]1CC[C@H]1C a55d9f6017a23e87567f1cd00dde2a75 [0,0,0,1,0,0|2,0,1]=4 1702 B12R1.925 C=CCCC(=O)NC1CCC1F 772f9656204ae731dcf48fd89ee54637 [0,0,0,1,0,0|3,0,0]=4 1703 B12R1.925 C=CCCC(=O)NC1CCC1O fdd0c14a814725dc8cff6202e9a3d498 [0,0,0,1,0,0|3,0,0]=4 1704 B12R1.925 C=CCCC(=O)NC1COC1C 91e82e4f53222614c5be40e712773598 [0,0,0,1,0,0|3,0,0]=4 1705 B12R1.925 C=CCCC(=O)N[C@@H]1CC[C@@H]1O 944037ee31f26900f9ebe980d46fb67d [0,0,0,1,0,0|3,0,0]=4 1706 B12R1.925 C=CCCC(=O)N[C@@H]1CC[C@H]1C aa2d6a3df3dcf275c1a5db378a5737db [0,0,0,1,0,0|2,0,0]=3 1707 B12R1.925 C=CCCC(=O)N[C@@H]1CC[C@H]1O da97a7d8a534aa1b060749f1611cb498 [0,0,0,1,0,0|3,0,0]=4 1708 B12R1.925 C=CCCC(=O)N[C@H]1CC[C@@H]1O 33fde24173464790310536eaa8b55300 [0,0,0,1,0,0|3,0,0]=4 1709 B12R1.925 C=CCCC(=O)N[C@H]1CC[C@H]1C f8f80524fd8edb1a723cfa4d84c7e34a [0,0,0,1,0,0|2,0,0]=3 1710 B12R1.925 C=CCCC(=O)N[C@H]1CC[C@H]1O bb4b5b49c13e15bb13884659d9a806f7 [0,0,0,1,0,0|3,0,0]=4 1711 B12R1.925 C[C@@H]1CC[C@@H]1NC(=O)CCC=O 8faa681f5d0928a65f8d95e7433d45bf [0,0,0,1,0,0|3,0,0]=4 1712 B12R1.925 C[C@@H]1CC[C@H]1NC(=O)CCC=O 026399fbf449a3da3f3376bd536f601c [0,0,0,1,0,0|3,0,0]=4 1713 B12R1.1785 C=CCNC1(CCCCCC1)C dd469b004dc7bd3833f8535026c1c887 [0,0,0,1,0,0|2,0,1]=4 1714 B9R0.5 C=CCC(=O)NCCCC aa4e9cc01c944a911bc93657ec8591fa [2,0,0,0,0,0|1,0,0]=3 1715 B9R0.5 C=CCC(=O)NCCCCl 916cff016440b0adf8e49b616111e1aa [2,0,0,0,0,0|2,0,0]=4 1716 B9R0.5 C=CCC(=O)NCCCO 33b033a5e7408a69408e80eb1ac7ce28 [2,0,0,0,0,0|2,0,0]=4 1717 B9R0.5 C=CCC(=O)NCCOC f6729be2b0fc95c43f339a6557065048 [2,0,0,0,0,0|2,0,0]=4 1718 B9R0.5 C=CCC(=O)NCCSC 2d83f3ff7ec8f12d75a5d560b20df0d6 [2,0,0,0,0,0|2,0,0]=4 1719 B9R0.5 C=CCN(C)CCCCC 0b10691c54227c175c8cdf0755b7f63b [2,0,0,0,0,0|2,0,0]=4 1720 B9R0.5 C=COC(=O)CNCCBr 5c8c7ab9e3793e247c6b7c0dc0c3d3ad [2,0,0,0,0,0|2,0,0]=4 1721 B9R0.5 C=COC(=O)CNCCC 3fcb2e78c6d37ddb589d8fb06a6c54d6 [2,0,0,0,0,0|1,0,0]=3 1722 B9R0.5 C=COC(=O)CNCCF 1864711886ed107d41f9f069f3a52f24 [2,0,0,0,0,0|2,0,0]=4 1723 B9R0.5 C=COC(=O)CNCCI b70610246e923c08e363f9d8d6a22a9d [2,0,0,0,0,0|2,0,0]=4 1724 B9R0.5 C=COC(=O)CNCCO a1eec180984048515bfe2768f3d6b9e0 [2,0,0,0,0,0|2,0,0]=4 1725 B9R0.5 C=COC(=O)CNCCS a7811feac419e0739763434f7b7270f6 [2,0,0,0,0,0|2,0,0]=4 1726 B9R0.5 C=COC(=O)COCCC 5f1ff34a229b00591eee62972bb38422 [2,0,0,0,0,0|1,0,0]=3 1727 B9R0.5 C=COC(=O)COCCF ede556e34bfc8eb6c6d6f69b0b611e07 [2,0,0,0,0,0|2,0,0]=4 1728 B9R0.5 C=COC(=O)COCCS 67cab09cb8f1036cca6d2ef62c8fe19c [2,0,0,0,0,0|2,0,0]=4 1729 B9R0.5 C=COC(=O)COCOC 24ce59484e68b6ebaae58f61a71407ff [2,0,0,0,0,0|2,0,0]=4 1730 B9R0.5 CCCCNC(=O)CC=O 836473a80945117a02207b121e995b64 [2,0,0,0,0,0|2,0,0]=4 1731 B9R0.5 CCCNCC(=O)OCC 96e18210e8c47913fa01fa11b9b136be [2,0,0,0,0,0|1,0,1]=4 1732 B9R0.5 CCCOCC(=O)OCC 0b34840e3da522061b00dd308581ea5c [2,0,0,0,0,0|1,0,1]=4 1733 B9R0.5 CCNCCC(=O)OCC 2335a4402c7edabd02b888af3e7ee79f [2,0,0,0,0,0|1,0,1]=4 1734 B9R0.5 CCOCCC(=O)OCC 09e1caf8e51242de5bdcbf4174bb2e9c [2,0,0,0,0,0|1,0,1]=4 1735 B9R0.45 C#CCCCCOCC=C f78317bf767ec5caf80d65406e67b65a [2,0,0,0,0,0|0,0,2]=4 1736 B9R0.45 C#CCOCCCCCC f5db1c348f2482ec2d74aff14ea6fbb8 [2,0,0,0,0,0|0,0,2]=4 1737 B9R0.45 C=C/C=C/CCNCCC 83f5e14c911827042616181b3195dbb3 [2,0,0,0,0,0|1,0,1]=4 1738 B9R0.45 C=CCCCCCNCC 890f1c6c1d85667d7cffa859ba2c1d3e [2,0,0,0,0,0|1,0,1]=4 1739 B9R0.45 C=CCCCCCOCC 23f590b48ebd5146440db0699ec4bb83 [2,0,0,0,0,0|1,0,1]=4 1740 B9R0.45 C=CCCCCNCCC 1c3124d4bfead54322e8b6cd10acbe7e [2,0,0,0,0,0|1,0,1]=4 1741 B9R0.45 C=CCCCCOCC=C f6554188cdda1eefbb9a452a96a54e31 [2,0,0,0,0,0|0,0,2]=4 1742 B9R0.45 C=CCCCCOCCC f624e5cfeefd7c8f70f95b431a05113e [2,0,0,0,0,0|1,0,1]=4 1743 B9R0.45 C=CCCCNCCCC fa1d0b4e193451fb553c9cd2afd75cca [2,0,0,0,0,0|1,0,1]=4 1744 B9R0.45 C=CCCCOCCCC e8806365586991cd800b2ef6da7fc881 [2,0,0,0,0,0|1,0,1]=4 1745 B9R0.45 C=CCCNCCCCC a855019ae48c9b8cf6923444d001ccd3 [2,0,0,0,0,0|1,0,1]=4 1746 B9R0.45 C=CCCOCCCCC 6e7cf8472e35f7c7bd7858bc8c7bfd04 [2,0,0,0,0,0|1,0,1]=4 1747 B9R0.45 C=CCNCCCCCC 6384eba9acd253c5ddf82f9491922adb [2,0,0,0,0,0|1,0,0]=3 1748 B9R0.45 C=CCNCCCCCCl 39b003764fbe36df5eaf2287055cfd68 [2,0,0,0,0,0|2,0,0]=4 1749 B9R0.45 C=CCNCCCCCO b81fe78c797f2a70aa21f5595d13d0f6 [2,0,0,0,0,0|2,0,0]=4 1750 B9R0.45 C=CCNCCCCOC 8d21e2ed462bb4954ce80ad5a5ca8a27 [2,0,0,0,0,0|2,0,0]=4 1751 B9R0.45 C=CCNCCCCSC cb376474ea5d0373c451927e013a14c9 [2,0,0,0,0,0|2,0,0]=4 1752 B9R0.45 C=CCNCCCOCC 2c5fb06034b78ea915033df9203a28d2 [2,0,0,0,0,0|2,0,0]=4 1753 B9R0.45 C=CCNCCOCCC 2f529c37c6157fe0a2cf6ac6ecb62671 [2,0,0,0,0,0|2,0,0]=4 1754 B9R0.45 C=CCOC/C=C/CCC 03f943a302f07b256fea7fe612c77864 [2,0,0,0,0,0|0,0,2]=4 1755 B9R0.45 C=CCOC/C=C\CCC 4432a6c92de315c9d357463297069e17 [2,0,0,0,0,0|0,0,2]=4 1756 B9R0.45 C=CCOCC#CCCC 61960cad58b07faaa39f31a59372818c [2,0,0,0,0,0|0,0,2]=4 1757 B9R0.45 C=CCOCC/C=C/CC d3a6361fd98a3a77c09decf732113b8c [2,0,0,0,0,0|0,0,2]=4 1758 B9R0.45 C=CCOCC/C=C\CC 75e789e3e347a0b07ef9e85b5dbe7cef [2,0,0,0,0,0|0,0,2]=4 1759 B9R0.45 C=CCOCCC#CCC 38b5618438defebc0d615743ee804bec [2,0,0,0,0,0|0,0,2]=4 1760 B9R0.45 C=CCOCCC/C=C/C 217b2434c43204a188c3b14919533da4 [2,0,0,0,0,0|0,0,2]=4 1761 B9R0.45 C=CCOCCC/C=C\C a944933b0505ca3c9235967299c45883 [2,0,0,0,0,0|0,0,2]=4 1762 B9R0.45 C=CCOCCCC#CC bd10cca88eafe64817f19111770d9999 [2,0,0,0,0,0|0,0,2]=4 1763 B9R0.45 C=CCOCCCC=CC 0f2672606a77485816b1b1be6b9e708b [2,0,0,0,0,0|0,0,2]=4 1764 B9R0.45 C=CCOCCCCC#N 9b9458085a9c36131d7507247e12680a [2,0,0,0,0,0|1,0,1]=4 1765 B9R0.45 C=CCOCCCCC=O 37f121bf5671a3553e184a5b90c564ae [2,0,0,0,0,0|1,0,1]=4 1766 B9R0.45 C=CCOCCCCCC 87e2c78ad35addafbe1ba3af3a2416ee [2,0,0,0,0,0|0,0,0]=2 1767 B9R0.45 C=CCOCCCCOC 128cb8201d6a9addfa90ce2aa3d56855 [2,0,0,0,0,0|1,0,0]=3 1768 B9R0.45 C=CCOCCCCSC d6f879632d2f8647ad8df3191aa8d592 [2,0,0,0,0,0|1,0,0]=3 1769 B9R0.45 C=CCOCCCOCC 07f39b6bf8d420b1e0d79a059a1cabfd [2,0,0,0,0,0|1,0,0]=3 1770 B9R0.45 C=CCOCCCSCC 010127de1abeb4b03bb349c6ddd307c9 [2,0,0,0,0,0|1,0,0]=3 1771 B9R0.45 C=CCOCCNCCBr 489407cc9f6e4cb0888de594893b5bb6 [2,0,0,0,0,0|2,0,0]=4 1772 B9R0.45 C=CCOCCNCCC 9694c4d9a9f18cb3ea4ec1572bfb4ddb [2,0,0,0,0,0|1,0,0]=3 1773 B9R0.45 C=CCOCCNCCF d3ca3fa67b449337438ce4b90bfbb64a [2,0,0,0,0,0|2,0,0]=4 1774 B9R0.45 C=CCOCCNCCI 49d8851e5849763ee217c4bfab4918ff [2,0,0,0,0,0|2,0,0]=4 1775 B9R0.45 C=CCOCCNCCO 637d5384b367c2111cf0eccdf31f0731 [2,0,0,0,0,0|2,0,0]=4 1776 B9R0.45 C=CCOCCNCCS 02176bc66981ce342fea75fbe04f7cf2 [2,0,0,0,0,0|2,0,0]=4 1777 B9R0.45 C=CCOCCOCCC efb69812f28efe0f9f62374b7669e490 [2,0,0,0,0,0|1,0,0]=3 1778 B9R0.45 C=CCOCCOCCF 3e0ad86dbc12511e2d2d4758fd9a036d [2,0,0,0,0,0|2,0,0]=4 1779 B9R0.45 C=CCOCCOCCS 70624696cc5e418779f211a09f520b40 [2,0,0,0,0,0|2,0,0]=4 1780 B9R0.45 C=CCOCCOCOC 1ad856357ce40e0de6ec31b427d3edaa [2,0,0,0,0,0|2,0,0]=4 1781 B9R0.45 C=CCOCCOCSC d10afb030a3f3094283be81776346e0e [2,0,0,0,0,0|2,0,0]=4 1782 B9R0.45 C=CCOCCSCCC 06be4be84f87fa36d14a267f98502073 [2,0,0,0,0,0|1,0,0]=3 1783 B9R0.45 C=COCCCCOCC af306989d4deb93a89f269ce19f884c9 [2,0,0,0,0,0|1,0,1]=4 1784 B9R0.45 C=COCCCNCCC 48f364dfd76ffa0b91930c0b5e61593d [2,0,0,0,0,0|1,0,1]=4 1785 B9R0.45 C=COCCNCCCC a4714520314ca7cd019c104ad0112ac9 [2,0,0,0,0,0|1,0,1]=4 1786 B9R0.45 C=COCCOCCCC c861b9e6afb5156062cdccf5beab2100 [2,0,0,0,0,0|1,0,1]=4 1787 B9R0.45 CCCCCCCOCC afc5a86de4d9d2aada96fa893fe06937 [2,0,0,0,0,0|0,0,2]=4 1788 B9R0.45 CCCCCCCOCF 34dddba0abdfe53e071e6123614e32ad [2,0,0,0,0,0|1,0,1]=4 1789 B9R0.45 CCCCCCNCC=O 7bf21a30ec03a5d95442fb7cb6f190b9 [2,0,0,0,0,0|2,0,0]=4 1790 B9R0.45 CCCCCCOCC#N 41f322377cad05989d164a4262163638 [2,0,0,0,0,0|1,0,1]=4 1791 B9R0.45 CCCCCCOCC=O bd855bb441849ecb00a1d491cea228b2 [2,0,0,0,0,0|1,0,0]=3 1792 B9R0.45 CCCCCCOCCC e53b5b4f9e861a4f0969c775813c954e [2,0,0,0,0,0|0,0,2]=4 1793 B9R0.45 CCCCCCOCCF 5c07b9abefb4c7383b2510ed2f25aa7d [2,0,0,0,0,0|1,0,1]=4 1794 B9R0.45 CCCCCCOCCS dfca5cb8f17cf53fc21013be4aea075a [2,0,0,0,0,0|1,0,1]=4 1795 B9R0.45 CCCCCCOCOC 6663dbbf181def3e6cf6b976451eb0e9 [2,0,0,0,0,0|1,0,1]=4 1796 B9R0.45 CCCCCCOCSC ea8aeb7aec2e44107948b184f1a2484b [2,0,0,0,0,0|1,0,1]=4 1797 B9R0.45 CCCNCCOCC=O 1acace12342365729be0b4a1c8839b77 [2,0,0,0,0,0|2,0,0]=4 1798 B9R0.45 CCCOCCOCC=O 486de8dd4e53e5f78a86ffc7c128bf3d [2,0,0,0,0,0|2,0,0]=4 1799 B9R0.45 CCCSCCOCC=O e8465b63891a9e011620a8eb43746fcd [2,0,0,0,0,0|2,0,0]=4 1800 B9R0.45 CCOCCCOCC=O cf6a32481fe179a2dab7e02bde302388 [2,0,0,0,0,0|2,0,0]=4 1801 B9R0.45 CCSCCCOCC=O ff794a905fa0fbec7cf974222d58c65f [2,0,0,0,0,0|2,0,0]=4 1802 B9R0.45 COCCCCOCC=O 5bf6bdc536c03e33ef79afe0bce39d17 [2,0,0,0,0,0|2,0,0]=4 1803 B9R0.45 CSCCCCOCC=O c382918f846eeb37fed2c51c97422532 [2,0,0,0,0,0|2,0,0]=4 1804 B9R0.46 C=C(CNCCCC)OC 9825a980fc85fa770a90f2c807e79cb3 [2,0,0,0,0,0|2,0,0]=4 1805 B9R0.46 C=C(COCCCC)OC 23a23683e3ff82dc0ce66f5c7735aae5 [2,0,0,0,0,0|2,0,0]=4 1806 B9R0.46 C=CC(=O)NCCCCC 3b0f86819ad9750509b8e015b4922164 [2,0,0,0,0,0|1,0,0]=3 1807 B9R0.46 C=CC(=O)NCCCCCl 037fbe1d4b2f181463bbb289db3ca074 [2,0,0,0,0,0|2,0,0]=4 1808 B9R0.46 C=CC(=O)NCCCCO ca93ef7e5445c9fdf6ec709699f55973 [2,0,0,0,0,0|2,0,0]=4 1809 B9R0.46 C=CC(=O)NCCCCS 92deec0ca07db651598afe9c510332d4 [2,0,0,0,0,0|2,0,0]=4 1810 B9R0.46 C=CC(=O)NCCCOC 8b1f992198a1c4b96b17b7923d7e394a [2,0,0,0,0,0|2,0,0]=4 1811 B9R0.46 C=CC(=O)NCCCSC c58aa27bbce2f539a76f326796f00759 [2,0,0,0,0,0|2,0,0]=4 1812 B9R0.46 C=CC(=O)NCCNCC efb87fcfc433bd5d917a12277ea2ff69 [2,0,0,0,0,0|2,0,0]=4 1813 B9R0.46 C=CC(=O)NCCOCC 31ad53c610530c8fb6f02d759d193915 [2,0,0,0,0,0|2,0,0]=4 1814 B9R0.46 C=CC(=O)NCCSCC db86a330ee341813a3c9eeeae4927fb3 [2,0,0,0,0,0|2,0,0]=4 1815 B9R0.46 C=CC(=O)NCOCCC 53f7efb31eae4af464fa455eda13bdab [2,0,0,0,0,0|2,0,0]=4 1816 B9R0.46 C=CC(=O)OCCOCC a7267376030751357e0b12ad264c9728 [2,0,0,0,0,0|2,0,0]=4 1817 B9R0.46 CCCCCNC(=O)C=O f4e49d97916bc3a259206e9c19346054 [2,0,0,0,0,0|2,0,0]=4 1818 B9R0.46 CCCCCNC(=O)CC 849a8920618781fdb82a0336e223971a [2,0,0,0,0,0|1,0,1]=4 1819 B9R0.46 CCCCCNC(=O)CF a05eb2568b07d5cb7d8de0ce30087de3 [2,0,0,0,0,0|2,0,0]=4 1820 B9R0.46 CCCCCNC(=O)CO ec7a3042859a9f12ba052c0da8e4a7aa [2,0,0,0,0,0|2,0,0]=4 1821 B9R0.46 CCCCCNC(=O)CS 03156480cccef12f02d921dd33cd4590 [2,0,0,0,0,0|2,0,0]=4 1822 B9R0.46 CCCCNCC(=O)CC b2e0d743393b788f6d80972415374097 [2,0,0,0,0,0|1,0,1]=4 1823 B9R0.46 CCCCNCC(=O)CO 849bb04887baec980d5ebdd3d5bc69d7 [2,0,0,0,0,0|2,0,0]=4 1824 B9R0.46 CCCCNCC(=O)NC 1e17cf9400576df78ba3d0bbd5e004b2 [2,0,0,0,0,0|2,0,0]=4 1825 B9R0.46 CCCCNCC(=O)OC 90edefb6d3a3ca213013f1f09af4da63 [2,0,0,0,0,0|1,0,0]=3 1826 B9R0.46 CCCCOCC(=O)CC 389316566cd1a1fc2f85978e15274242 [2,0,0,0,0,0|1,0,1]=4 1827 B9R0.46 CCCCOCC(=O)NC cf030b05ed543e346a9154767a28bae4 [2,0,0,0,0,0|2,0,0]=4 1828 B9R0.46 CCCCOCC(=O)OC 3a258f28efc16859d84bb30eb200cc4d [2,0,0,0,0,0|1,0,0]=3 1829 B9R0.46 CCCNCCC(=O)NC 15c9bd5d976b45d01c0fa363e53c356e [2,0,0,0,0,0|2,0,0]=4 1830 B9R0.46 CCCNCCC(=O)OC 05bc030a2f2408fd65b5ffca8abeab98 [2,0,0,0,0,0|1,0,0]=3 1831 B9R0.46 CCCNCOC(=O)OC f670b6fcf3cafadb01eab83cce01794d [2,0,0,0,0,0|2,0,0]=4 1832 B9R0.46 CCCOCCC(=O)NC 08e49cdbe7f26a9ed53ba2c0be49d187 [2,0,0,0,0,0|2,0,0]=4 1833 B9R0.46 CCCOCCC(=O)OC 630bff407b7c5972cdb6361bdad86547 [2,0,0,0,0,0|1,0,0]=3 1834 B9R0.46 CCCOCOC(=O)OC f08733c900934115c08d74dfad3e1662 [2,0,0,0,0,0|2,0,0]=4 1835 B9R0.46 CCNCCCC(=O)OC 8791db4546254853c1d2c8daf04e29f1 [2,0,0,0,0,0|1,0,0]=3 1836 B9R0.46 CCOCCCC(=O)NC 8b277ae760d242e65f64127caa0bf565 [2,0,0,0,0,0|2,0,0]=4 1837 B9R0.46 CCOCCOC(=O)OC b297131086651eb5dcd01a50837d46c4 [2,0,0,0,0,0|2,0,0]=4 1838 B9R0.46 CCOCNCC(=O)OC 27835f195b0bedba7d74a5f359d40b76 [2,0,0,0,0,0|2,0,0]=4 1839 B9R0.46 CCOCOCC(=O)OC 167c3e792b29957573aad87659d7bbe6 [2,0,0,0,0,0|2,0,0]=4 1840 B9R0.46 COC(=O)CCCNCF e9250563d19357c2b217ddc01e5b54cc [2,0,0,0,0,0|2,0,0]=4 1841 B9R0.46 COC(=O)CCCNCO 7f4c543538d7d8c02923f8e5ee512b7d [2,0,0,0,0,0|2,0,0]=4 1842 B9R0.46 COC(=O)CCNCCBr 2e9d2d8ee2945dc03997f39ac9c22456 [2,0,0,0,0,0|2,0,0]=4 1843 B9R0.46 COC(=O)CCNCCF 2bfe6c663d75847c3cf0523a2f776449 [2,0,0,0,0,0|2,0,0]=4 1844 B9R0.46 COC(=O)CCNCCI f7228399f663e5c2847b83866d3779d1 [2,0,0,0,0,0|2,0,0]=4 1845 B9R0.46 COC(=O)CCNCCO 370144453eebf725a732ab3ac8cea44b [2,0,0,0,0,0|2,0,0]=4 1846 B9R0.46 COC(=O)CCNCCS 6b781ff091c75a1c77e9b99c78c0a8c2 [2,0,0,0,0,0|2,0,0]=4 1847 B9R0.46 COC(=O)CCNCSC f9cdc13e157a948defb075346b9d25c1 [2,0,0,0,0,0|2,0,0]=4 1848 B9R0.46 COC(=O)CCOCCF 628582c7630374a94e4bced8359c4233 [2,0,0,0,0,0|2,0,0]=4 1849 B9R0.46 COC(=O)CCOCCS 20528c74e4da9192ce01c8b31c16dba2 [2,0,0,0,0,0|2,0,0]=4 1850 B9R0.46 COC(=O)CCOCSC f8c9563c56621b9e36b8626b322b47d8 [2,0,0,0,0,0|2,0,0]=4 1851 B9R0.46 COC(=O)CNCCCCl 55e51726dd18a7f132b3e21305569abc [2,0,0,0,0,0|2,0,0]=4 1852 B9R0.46 COC(=O)CNCCCF e93d46be851bbddb3a2f9941aeed8ff2 [2,0,0,0,0,0|2,0,0]=4 1853 B9R0.46 COC(=O)CNCCCO 46abbcbf049316d92b11742c7ee09635 [2,0,0,0,0,0|2,0,0]=4 1854 B9R0.46 COC(=O)CNCCCS cea58286d3c1d454f8ec51cb225d8c9b [2,0,0,0,0,0|2,0,0]=4 1855 B9R0.46 COC(=O)CNCCSC 8c188a6ed92fc6374ee2a2dbcfcee1cb [2,0,0,0,0,0|2,0,0]=4 1856 B9R0.46 COC(=O)COCCCF eb4d08d12a32347963985a219a2436b3 [2,0,0,0,0,0|2,0,0]=4 1857 B9R0.46 COC(=O)COCCCS cead342093671334804d8e04218fd18f [2,0,0,0,0,0|2,0,0]=4 1858 B9R0.46 COC(=O)COCCSC f6bc7966168712e9ed4ac4cc1e9f6f92 [2,0,0,0,0,0|2,0,0]=4 1859 B9R0.46 COCCNCC(=O)OC c9c694c5a89b651170c8ff4da2275f98 [2,0,0,0,0,0|2,0,0]=4 1860 B9R0.46 COCCOCC(=O)OC 2c6ae10da48fe440860bfbd6b88c257a [2,0,0,0,0,0|2,0,0]=4 1861 B9R0.46 COCNCCC(=O)OC ce81a92d5ba5f01cc4823c162f22f501 [2,0,0,0,0,0|2,0,0]=4 1862 B9R0.46 COCOCCC(=O)OC 6aede0cdfec6dbd64f8c4300c142c36f [2,0,0,0,0,0|2,0,0]=4 1863 B9R0.18 C=CCCC(=O)NCCC 9f74062b96148fe9af5f57a314993165 [2,0,0,0,0,0|2,0,0]=4 1864 B9R0.18 C=CCNC(=O)COCC a11a89555864e96d8e78b57eec3b4d7c [2,0,0,0,0,0|2,0,0]=4 1865 B9R0.18 C=CCOC(C)CCCC e05948ecaeff8c28551c390203faa54a [2,0,0,0,0,0|1,0,1]=4 1866 B9R0.18 C=CCO[C@@H](C)CCCC 785b4fd0e7d2a1185c3f37e0ca8f48b9 [2,0,0,0,0,0|1,0,1]=4 1867 B9R0.18 C=CCO[C@H](C)CCCC 8279474ab6fe084178c62f137ffa8b53 [2,0,0,0,0,0|1,0,1]=4 1868 B11R0.2 C=C(Br)CN(C)CCCCCC 4756b923780623448cd46b178e1dcca8 [1,1,0,0,0,0|2,0,0]=4 1869 B11R0.2 C=C(C)CC(=O)NCCCCC 6af859944a288786d4659af549d01d44 [1,1,0,0,0,0|1,0,0]=3 1870 B11R0.2 C=C(C)CC(=O)NCCCCCl cb86f6abaa8a03f223d7752eb313df59 [1,1,0,0,0,0|2,0,0]=4 1871 B11R0.2 C=C(C)CC(=O)NCCCCO a094a4c6f699a0005d6a1f569111db47 [1,1,0,0,0,0|2,0,0]=4 1872 B11R0.2 C=C(C)CC(=O)NCCCCS e9f0a45f42730fe2d4a62317e21fadc6 [1,1,0,0,0,0|2,0,0]=4 1873 B11R0.2 C=C(C)CC(=O)NCCCOC bed9c30963e5ecae458364ed3a06bf51 [1,1,0,0,0,0|2,0,0]=4 1874 B11R0.2 C=C(C)CC(=O)NCCCSC f659c0411529c9ba3e9e21a118efcfd8 [1,1,0,0,0,0|2,0,0]=4 1875 B11R0.2 C=C(C)CC(=O)NCCOCC db55cd8de0e7f415bd487c02970a8c60 [1,1,0,0,0,0|2,0,0]=4 1876 B11R0.2 C=C(C)CC(=O)NCCSCC 67fdc2c1864c637d5ff290f1e7e12b52 [1,1,0,0,0,0|2,0,0]=4 1877 B11R0.2 C=C(C)CN(C)CCCCCC 25e3a185530a490738a93b4cf149d5af [1,1,0,0,0,0|2,0,0]=4 1878 B11R0.2 C=C(Cl)CN(C)CCCCCC fa49bf42c14b74e1020aff57d25d90d6 [1,1,0,0,0,0|2,0,0]=4 1879 B11R0.2 CCCCCNC(=O)CC(=O)C b9f6fefcf600ebaa9b87d233da70a209 [1,1,0,0,0,0|1,0,1]=4 1880 B11R0.2 CCCCCNC(=O)CC(=O)N 710f88fe373ae09649f4f4c926d58dc6 [1,1,0,0,0,0|2,0,0]=4 1881 B11R0.2 CCCCNCC(=O)CC(=O)O 924460e29012324689885e436a9da05b [1,1,0,0,0,0|2,0,0]=4 1882 B11R0.2 CCCCNCC(=O)OC(C)C 0d93469e7c059200d74b3a7823278d8c [1,1,0,0,0,0|1,0,1]=4 1883 B11R0.2 CCCCOCC(=O)CC(=O)O bee6e58f12e6a46c40700c754be2d5be [1,1,0,0,0,0|2,0,0]=4 1884 B11R0.2 CCCCOCC(=O)OC(C)C c8359866a0c386741b6f770b158ef158 [1,1,0,0,0,0|1,0,1]=4 1885 B11R0.2 CCCNCCC(=O)OC(C)C 617b9bdc099c5dfc4a5db8b085d84bb1 [1,1,0,0,0,0|1,0,1]=4 1886 B11R0.2 CCCOCCC(=O)OC(C)C 2b4f838143f5a6f9d79fa2c191c7046a [1,1,0,0,0,0|1,0,1]=4 1887 B11R0.4 C#CCC(=O)NCCCCCC 78d69b0891860d5affdc4888b8ef7d70 [1,1,0,0,0,0|0,0,2]=4 1888 B11R0.4 C#CCCCCNC(=O)CC=C 6962f0f7a24835fd894d11e5a02c7fcb [1,1,0,0,0,0|0,0,2]=4 1889 B11R0.4 C#CCCCNCC(=O)OC=C 3c55bf51644b38fc5960682237f8c41d [1,1,0,0,0,0|0,0,2]=4 1890 B11R0.4 C#CCCCOCC(=O)OC=C 7983be18ea4b9a96d1b41cd1aff890b9 [1,1,0,0,0,0|0,0,2]=4 1891 B11R0.4 C/C=C/C(=O)NCCCCCC 377f28d02111af193298308d162007ca [1,1,0,0,0,0|0,0,2]=4 1892 B11R0.4 C=CCC(=O)NCCCCC#N fa0c2744eb2fdeded2f8fc25bddf7769 [1,1,0,0,0,0|1,0,1]=4 1893 B11R0.4 C=CCC(=O)NCCCCCC d46661bf423214425230279ca4e72208 [1,1,0,0,0,0|0,0,0]=2 1894 B11R0.4 C=CCC(=O)NCCCCCCl a2695543f857b0db6f2d0a34cfc46442 [1,1,0,0,0,0|1,0,0]=3 1895 B11R0.4 C=CCC(=O)NCCCCCO 5ec753bcff99b57c19bd3fcdd35bd6ec [1,1,0,0,0,0|1,0,0]=3 1896 B11R0.4 C=CCC(=O)NCCCCOC ff770ce1f50ea6c20406b9f5a6b93bc1 [1,1,0,0,0,0|1,0,0]=3 1897 B11R0.4 C=CCC(=O)NCCCCSC be79a01c671c48227cc0aecd4fbaea8b [1,1,0,0,0,0|1,0,0]=3 1898 B11R0.4 C=CCC(=O)NCCCOCC a10f880a541209442af9775cdb1f5976 [1,1,0,0,0,0|1,0,0]=3 1899 B11R0.4 C=CCC(=O)NCCOCCC 5ad2560a6adfd80a20d436b4c454c60b [1,1,0,0,0,0|1,0,0]=3 1900 B11R0.4 C=CCC(=O)NCCOCCO 203022762d3dac4b9ef23a4b99189ec1 [1,1,0,0,0,0|2,0,0]=4 1901 B11R0.4 C=CCC(=O)NCCOCCS 4c317efe68347609cbecbc87ca63fe05 [1,1,0,0,0,0|2,0,0]=4 1902 B11R0.4 C=CCC(=O)NCCSCCO 8e1dd7fdd8c380f2d5be7be7a76f0e97 [1,1,0,0,0,0|2,0,0]=4 1903 B11R0.4 C=CCC(C)CNCCCCC 78499161f310754947506c7bc839e721 [1,1,0,0,0,0|1,0,1]=4 1904 B11R0.4 C=CCC(C)COCCCCC 0b9c3844b09d8901a21fb77384e2113b [1,1,0,0,0,0|1,0,1]=4 1905 B11R0.4 C=CCC(C)OCCCCCC 15350466c6b966aac72a8255a29460d3 [1,1,0,0,0,0|1,0,1]=4 1906 B11R0.4 C=CCC(O)CNCCCCC cbf36c316559135fbb7a1ab010acf5eb [1,1,0,0,0,0|0,0,2]=4 1907 B11R0.4 C=CCCCCNC(=O)CC=C 68bba53c8c996a7d58f44ba53be87e70 [1,1,0,0,0,0|0,0,2]=4 1908 B11R0.4 C=CCCCNCC(=O)OC=C 134355a80c567952cb30126099bd78ec [1,1,0,0,0,0|0,0,2]=4 1909 B11R0.4 C=CCCCOCC(=O)OC=C 5be2d4d1225da522955d93cadd0db890 [1,1,0,0,0,0|0,0,2]=4 1910 B11R0.4 C=CCN(C)CCCCCCC 8e4396938e64738917450a4c6d2226ae [1,1,0,0,0,0|2,0,0]=4 1911 B11R0.4 C=CCN(C)CCCCCCF e33e11d4113f9d3ec6afb5c93648c102 [1,1,0,0,0,0|2,0,0]=4 1912 B11R0.4 C=CCN(C)CCCCCCO b6944b41c89645608581e083cc91b01a [1,1,0,0,0,0|2,0,0]=4 1913 B11R0.4 C=CCN(C)CCCCCOC bca189df3cf6bd90631346943cfd02f1 [1,1,0,0,0,0|2,0,0]=4 1914 B11R0.4 C=CCN(C)CCCOCCC ac6a754f08e3e8dc25ae3f820ef74a14 [1,1,0,0,0,0|2,0,0]=4 1915 B11R0.4 C=CCN(C)CCOCCCC a2cca81d5233846393787b2b8ace057b [1,1,0,0,0,0|2,0,0]=4 1916 B11R0.4 C=CC[C@@H](C)OCCCCCC d9f843f0024c7043ce7697b98a22de56 [1,1,0,0,0,0|1,0,1]=4 1917 B11R0.4 C=CC[C@H](C)OCCCCCC f314d1e651fdeed27bc0886b7271d505 [1,1,0,0,0,0|1,0,1]=4 1918 B11R0.4 C=COC(=O)CNCCCC#N 19251e2fae9b54dad644b4ce68e9ed60 [1,1,0,0,0,0|1,0,1]=4 1919 B11R0.4 C=COC(=O)CNCCCCC e6c41c963035bf66eddcbe37fd9bae11 [1,1,0,0,0,0|0,0,0]=2 1920 B11R0.4 C=COC(=O)CNCCCCCl 0ff31f1e48c7991e055c9a8d3d54fd9d [1,1,0,0,0,0|1,0,0]=3 1921 B11R0.4 C=COC(=O)CNCCCCO 9f0f5ef49aa53f5c4ddd14431f706631 [1,1,0,0,0,0|1,0,0]=3 1922 B11R0.4 C=COC(=O)CNCCCCS d8dd379b9a0020703e3ef609cffb6446 [1,1,0,0,0,0|1,0,0]=3 1923 B11R0.4 C=COC(=O)CNCCCOC 2c3a5189f1039eb0d03a45832fa53ad3 [1,1,0,0,0,0|1,0,0]=3 1924 B11R0.4 C=COC(=O)CNCCCSC 12b94d810764f379ab548944bcd40375 [1,1,0,0,0,0|1,0,0]=3 1925 B11R0.4 C=COC(=O)CNCCOCC 6a6f59f06e19816424f1c1e9dc374b82 [1,1,0,0,0,0|1,0,0]=3 1926 B11R0.4 C=COC(=O)CNCCSCC d1306ecac350ff8958bec696ac819bdc [1,1,0,0,0,0|1,0,0]=3 1927 B11R0.4 C=COC(=O)COC/C=C/CC 95b8570389b640076c3ae1e9801cb8ce [1,1,0,0,0,0|0,0,2]=4 1928 B11R0.4 C=COC(=O)COC/C=C\CC 7cde71eab558b77647cbb73208fdb496 [1,1,0,0,0,0|0,0,2]=4 1929 B11R0.4 C=COC(=O)COCC#CCC 5b32e866df1db8acadf9f82dc365cfd6 [1,1,0,0,0,0|0,0,2]=4 1930 B11R0.4 C=COC(=O)COCC/C=C/C f0e12da11c42cdfb1d5b61327d14b1e6 [1,1,0,0,0,0|0,0,2]=4 1931 B11R0.4 C=COC(=O)COCCC#CC a52e3510c35db48ba6817f52a4bf088f [1,1,0,0,0,0|0,0,2]=4 1932 B11R0.4 C=COC(=O)COCCCC#N 72574e79d4aa4716141a22a529b729c1 [1,1,0,0,0,0|1,0,1]=4 1933 B11R0.4 C=COC(=O)COCCCC=O be4d418f8d8b225db976b57f69306985 [1,1,0,0,0,0|1,0,1]=4 1934 B11R0.4 C=COC(=O)COCCCCC 70588743801f5a1d2b1ef51b7eaba200 [1,1,0,0,0,0|0,0,0]=2 1935 B11R0.4 C=COC(=O)COCCCCF 8d4fc8d68e0ff80991dce3a548274292 [1,1,0,0,0,0|1,0,0]=3 1936 B11R0.4 C=COC(=O)COCCCCS 68b1af5c49c206ccc51b47671520446d [1,1,0,0,0,0|1,0,0]=3 1937 B11R0.4 C=COC(=O)COCCCOC 330fc361f5a558c4fa93e3167f886824 [1,1,0,0,0,0|1,0,0]=3 1938 B11R0.4 C=COC(=O)COCCCSC 6650fd235270d2e359b33bbbd5d03a47 [1,1,0,0,0,0|1,0,0]=3 1939 B11R0.4 C=COC(=O)COCCOCC 53b564d36d2efeae2b73365a22bf8591 [1,1,0,0,0,0|1,0,0]=3 1940 B11R0.4 C=COC(=O)COCCSCC 3f56691a43c2cd3f1d9d92c65a3e5be2 [1,1,0,0,0,0|1,0,0]=3 1941 B11R0.4 CCCCCCNC(=O)/C=C/Br b3a483ec9e07d392a823769ab58a8a3f [1,1,0,0,0,0|1,0,1]=4 1942 B11R0.4 CCCCCCNC(=O)/C=C/Cl 0edfcd4abbed3c279b5a5db1db683b0f [1,1,0,0,0,0|1,0,1]=4 1943 B11R0.4 CCCCCCNC(=O)/C=C/I edd8beb2074c6ebaf2691867fa1dead1 [1,1,0,0,0,0|1,0,1]=4 1944 B11R0.4 CCCCCCNC(=O)/C=C\Br d4f5f0432c5532a5be846dba2748e2db [1,1,0,0,0,0|1,0,1]=4 1945 B11R0.4 CCCCCCNC(=O)/C=C\Cl 131b728cc8ab5e32a238bba599ec081f [1,1,0,0,0,0|1,0,1]=4 1946 B11R0.4 CCCCCCNC(=O)/C=C\I 24147ed224973445dd6e9b3cbfacdebc [1,1,0,0,0,0|1,0,1]=4 1947 B11R0.4 CCCCCCNC(=O)C=CBr b76c2faa6995ab790eec9636b8e3d045 [1,1,0,0,0,0|1,0,1]=4 1948 B11R0.4 CCCCCCNC(=O)C=CI 8b16a6f00c2b238f2a28d3ec870e0485 [1,1,0,0,0,0|1,0,1]=4 1949 B11R0.4 CCCCCCNC(=O)CC#N 3a118a916d898cecbd36d1f2947583f3 [1,1,0,0,0,0|1,0,1]=4 1950 B11R0.4 CCCCCCNC(=O)CC=O a7f1da0dd2cd94dffb8186943176c7dc [1,1,0,0,0,0|1,0,0]=3 1951 B11R0.4 CCCCCCNC(=O)CCC 86ff0f5e9c808359785c4d555716a0c6 [1,1,0,0,0,0|0,0,2]=4 1952 B11R0.4 CCCCCCNC(=O)CCF 0e16ccb662e7e0ac93051a877f48470e [1,1,0,0,0,0|1,0,1]=4 1953 B11R0.4 CCCCCCNC(=O)CCO c087b3675c7cb5dcfde9fa6dcbdb3e38 [1,1,0,0,0,0|1,0,1]=4 1954 B11R0.4 CCCCCCNC(=O)CCS e76f3d6d22ed4cd16bf2a3f98e737a89 [1,1,0,0,0,0|1,0,1]=4 1955 B11R0.4 CCCCCCNC(=O)COC 714e5a0281995088b6f3f1f962d227b2 [1,1,0,0,0,0|1,0,1]=4 1956 B11R0.4 CCCCCCNC(=O)CON 66d10e7cd363894c05bf81dbb602d532 [1,1,0,0,0,0|2,0,0]=4 1957 B11R0.4 CCCCCCNC(=O)CSC c9cc6aa932351aac48e1944e9ae4f49e [1,1,0,0,0,0|1,0,1]=4 1958 B11R0.4 CCCCCNCC(=O)CCC 5c0a36c9da6990262983584768700e06 [1,1,0,0,0,0|0,0,2]=4 1959 B11R0.4 CCCCCNCC(=O)COC 502d17c7ceaf127c86a16e7809b966c6 [1,1,0,0,0,0|1,0,1]=4 1960 B11R0.4 CCCCCNCC(=O)NCC 8d174055167832aa82e7a62942ebadb3 [1,1,0,0,0,0|1,0,1]=4 1961 B11R0.4 CCCCCNCC(=O)NCO aaf498b21bb4f2353489f1e4167ee52e [1,1,0,0,0,0|2,0,0]=4 1962 B11R0.4 CCCCCNCC(=O)OCC 4304655bf379f4366dd088701cf7e21c [1,1,0,0,0,0|0,0,1]=3 1963 B11R0.4 CCCCCOCC(=O)CCC 8262177c32a9450a29113f02c3e40c8e [1,1,0,0,0,0|0,0,2]=4 1964 B11R0.4 CCCCCOCC(=O)NCC 7e231127cc82282dbbf3308dc7e1564c [1,1,0,0,0,0|1,0,1]=4 1965 B11R0.4 CCCCCOCC(=O)OCC f64a848703599a93df3dbf25be548f27 [1,1,0,0,0,0|0,0,1]=3 1966 B11R0.4 CCCCNCCC(=O)NCC 7c1ce674cd02b76f256893a6da664746 [1,1,0,0,0,0|1,0,1]=4 1967 B11R0.4 CCCCNCCC(=O)OCC dc7dea90b346ecbda1f0d157b0c94f32 [1,1,0,0,0,0|0,0,1]=3 1968 B11R0.4 CCCCNCOC(=O)OCC ca409d7539df0c74dbd07384dd478520 [1,1,0,0,0,0|1,0,1]=4 1969 B11R0.4 CCCCOCCC(=O)NCC 2cf33a536e71aa672563b2e6c9b353ba [1,1,0,0,0,0|1,0,1]=4 1970 B11R0.4 CCCCOCCC(=O)OCC 95ad894d01602c07de1d2b4aae4a0e6e [1,1,0,0,0,0|0,0,1]=3 1971 B11R0.4 CCCCOCOC(=O)OCC f9445a123e97e58df2bd304b13c696ca [1,1,0,0,0,0|1,0,1]=4 1972 B11R0.4 CCCNCCCC(=O)OCC f6461f8e22f3d933186943d4b183108e [1,1,0,0,0,0|0,0,1]=3 1973 B11R0.4 CCCOCCCC(=O)OCC 44f3c08715c24b28a3685ca7f9c36e30 [1,1,0,0,0,0|0,0,1]=3 1974 B11R0.4 CCCOCCNC(=O)CC=O 1794d59db3e03926cabc8d046b49f050 [1,1,0,0,0,0|2,0,0]=4 1975 B11R0.4 CCOC(=O)CCCCOCF 1e1261add10b19284371a248568d711b [1,1,0,0,0,0|1,0,1]=4 1976 B11R0.4 CCOC(=O)CCCNCCBr 60bcbe922041739189bc281fb6a2bb23 [1,1,0,0,0,0|1,0,1]=4 1977 B11R0.4 CCOC(=O)CCCNCCF a8ca23c887e3f27d9ce4ce70ce8ce85c [1,1,0,0,0,0|1,0,1]=4 1978 B11R0.4 CCOC(=O)CCCNCCI 4edd1ec513d467813532911b2cbedef7 [1,1,0,0,0,0|1,0,1]=4 1979 B11R0.4 CCOC(=O)CCCNCCO 6cab9fdd8c1a3159e64bec0608483f43 [1,1,0,0,0,0|1,0,1]=4 1980 B11R0.4 CCOC(=O)CCCNCCS bf3d906c2feaf34f02a7b4012db66253 [1,1,0,0,0,0|1,0,1]=4 1981 B11R0.4 CCOC(=O)CCCNCOC 09a4cb9ed4f5f8b605e172f8b0db0671 [1,1,0,0,0,0|1,0,1]=4 1982 B11R0.4 CCOC(=O)CCCNCSC d614302bf0ca880f0177d2ffc0476d8a [1,1,0,0,0,0|1,0,1]=4 1983 B11R0.4 CCOC(=O)CCCOCCF 909acc390bbb1ceea04a19919f52152b [1,1,0,0,0,0|1,0,1]=4 1984 B11R0.4 CCOC(=O)CCCOCCS 78b20295e211bf8850dff862a4729f37 [1,1,0,0,0,0|1,0,1]=4 1985 B11R0.4 CCOC(=O)CCCOCOC 5bf104d8710e6b32f35db6c9e133e980 [1,1,0,0,0,0|1,0,1]=4 1986 B11R0.4 CCOC(=O)CCCOCSC a236b3de67b8591907dc1349d6aacabc [1,1,0,0,0,0|1,0,1]=4 1987 B11R0.4 CCOC(=O)CCNCCCCl a89c084bdffb1d422d065823b9073077 [1,1,0,0,0,0|1,0,1]=4 1988 B11R0.4 CCOC(=O)CCNCCCF 70a1dc79e0e4bc47520362815d5c0544 [1,1,0,0,0,0|1,0,1]=4 1989 B11R0.4 CCOC(=O)CCNCCCO 51aaffebe3df7434f9d32c43a0c6dace [1,1,0,0,0,0|1,0,1]=4 1990 B11R0.4 CCOC(=O)CCNCCCS 5bcc16b3c3f0425f0080dc188f736d03 [1,1,0,0,0,0|1,0,1]=4 1991 B11R0.4 CCOC(=O)CCNCCOC 1c46d7d7fb66a967176c3228bbbad3fb [1,1,0,0,0,0|1,0,1]=4 1992 B11R0.4 CCOC(=O)CCNCCSC aa9be64800f205656b7a4f74e69a29d3 [1,1,0,0,0,0|1,0,1]=4 1993 B11R0.4 CCOC(=O)CCOCCCF a7be7eb6d4bf413eef8e017143e3f700 [1,1,0,0,0,0|1,0,1]=4 1994 B11R0.4 CCOC(=O)CCOCCCS f6284e96b38ea040626353532b55676c [1,1,0,0,0,0|1,0,1]=4 1995 B11R0.4 CCOC(=O)CCOCCOC 5eab465898645a5ae67f5c769be3f00c [1,1,0,0,0,0|1,0,1]=4 1996 B11R0.4 CCOC(=O)CCOCCSC cba55ac5252fa9caa5a0ba30c08c4f44 [1,1,0,0,0,0|1,0,1]=4 1997 B11R0.4 CCOC(=O)CNCCCCCl 296a499f8be352bf681ae9c7effc53de [1,1,0,0,0,0|1,0,1]=4 1998 B11R0.4 CCOC(=O)CNCCCCF f53911aa8d81b2451a539d276eea2100 [1,1,0,0,0,0|1,0,1]=4 1999 B11R0.4 CCOC(=O)CNCCCCO 5567fb2e0fc75fd72e36e84016c9b7ee [1,1,0,0,0,0|1,0,1]=4 2000 B11R0.4 CCOC(=O)CNCCCCS 04305ddf2d4b9a89f1f8710f12ab691d [1,1,0,0,0,0|1,0,1]=4 2001 B11R0.4 CCOC(=O)CNCCCOC 24714c2c7807ed3ce35740638d7e471f [1,1,0,0,0,0|1,0,1]=4 2002 B11R0.4 CCOC(=O)CNCCCSC b297861fcb32dc5e0d19d3c9a20bab5c [1,1,0,0,0,0|1,0,1]=4 2003 B11R0.4 CCOC(=O)CNCCSCC ab73db73736783d81dfec5042e756f02 [1,1,0,0,0,0|1,0,1]=4 2004 B11R0.4 CCOC(=O)COCCCCF bdd3130414d7bb52901d2af99d6baad4 [1,1,0,0,0,0|1,0,1]=4 2005 B11R0.4 CCOC(=O)COCCCCS d9f6c265a2fd8cb1d0d139c1fd8ea40e [1,1,0,0,0,0|1,0,1]=4 2006 B11R0.4 CCOC(=O)COCCCOC eb98c0daf8901cd4eec41b84833eccbf [1,1,0,0,0,0|1,0,1]=4 2007 B11R0.4 CCOC(=O)COCCCSC 00a233a412e6525cdc70bdadeb0a8d89 [1,1,0,0,0,0|1,0,1]=4 2008 B11R0.4 CCOC(=O)COCCSCC 0d930b0adeba2e697fe84aabdd6723e8 [1,1,0,0,0,0|1,0,1]=4 2009 B11R0.4 CCOCCCCC(=O)OCC dff7da0a71f6e7070ea70a6d5afe214a [1,1,0,0,0,0|0,0,1]=3 2010 B11R0.4 CCOCCCNC(=O)CC=O 08b08324269f2b3e5210cb0b415fd2eb [1,1,0,0,0,0|2,0,0]=4 2011 B11R0.4 CCOCCNCC(=O)OCC 3eef08623d91f6c723acaf832f2ae8de [1,1,0,0,0,0|1,0,1]=4 2012 B11R0.4 CCOCCOCC(=O)OCC 1e47a791ce24a3105a78deacbb6e4ae7 [1,1,0,0,0,0|1,0,1]=4 2013 B11R0.4 CCOCNCCC(=O)OCC e0a0602d211c58d51b802fc20f7123fa [1,1,0,0,0,0|1,0,1]=4 2014 B11R0.4 CCOCOCCC(=O)OCC adf258b99474a5da1b50ec3aeed30c5b [1,1,0,0,0,0|1,0,1]=4 2015 B11R0.4 COCCCCNC(=O)CC=O 8109c59d747a300c999d468a4c5a5bc6 [1,1,0,0,0,0|2,0,0]=4 2016 B11R0.4 CSCCCCNC(=O)CC=O e1a12b10e78d889bf145080fedf1688a [1,1,0,0,0,0|2,0,0]=4 2017 B11R0.4 O=CCC(=O)NCCCCCCl e5be60f16ee1bfce3d0f2cc2258360f7 [1,1,0,0,0,0|2,0,0]=4 2018 B11R0.4 O=CCC(=O)NCCCCCO ea9b46916e4def28d71644379ff5d685 [1,1,0,0,0,0|2,0,0]=4 2019 B11R0.5 C=CCC(=O)NC(C)CCCC 486452769a2d4c12c587f4805576d7af [1,1,0,0,0,0|1,0,0]=3 2020 B11R0.5 C=CCC(=O)NC(C)CCCO baa06048ffefe3aaf138f812cacaa91f [1,1,0,0,0,0|2,0,0]=4 2021 B11R0.5 C=CCC(=O)N[C@H](C)CCCC ba2de944c20ea7a7f9c13ee03cebb5ed [1,1,0,0,0,0|1,0,0]=3 2022 B11R0.5 C=CCC(=O)N[C@H](C)CCCO fddbabfe038b4a4755542a7a04816477 [1,1,0,0,0,0|2,0,0]=4 2023 B11R0.5 C=COC(=O)CN(C)CCCC 84701d166086b65119ed95609020b711 [1,1,0,0,0,0|1,0,0]=3 2024 B11R0.5 C=COC(=O)CN(C)CCCO e7bbda5a60f0e3ad912de579a2b7f34e [1,1,0,0,0,0|2,0,0]=4 2025 B11R0.5 C=COC(=O)CN(C)CCOC f022da97322bff706f86112dcae2b812 [1,1,0,0,0,0|2,0,0]=4 2026 B11R0.5 C=COC(=O)CN(C)CCSC 96716911172f9067f4c01971c4fa2c28 [1,1,0,0,0,0|2,0,0]=4 2027 B11R0.5 CCCCC(C)NC(=O)CC=O 4b62e2d60d7ff90b337cfa16e68f1a2b [1,1,0,0,0,0|2,0,0]=4 2028 B11R0.5 CCCCN(C)CC(=O)OCC 66588873868685277f1e6323ca93ab3b [1,1,0,0,0,0|1,0,1]=4 2029 B11R0.5 CCCC[C@@H](C)NC(=O)CC=O 3a80e994664616c66843d78b68879541 [1,1,0,0,0,0|2,0,0]=4 2030 B11R0.5 CCCNC(C)CC(=O)OCC 4cd8834a858e3d0a1873cc056d8991da [1,1,0,0,0,0|1,0,1]=4 2031 B11R0.5 CCCOC(C)CC(=O)OCC a9a559828e9beac6ca0cba22bdf2c0ed [1,1,0,0,0,0|1,0,1]=4 2032 B11R0.5 CCCO[C@@H](C)CC(=O)OCC 99e55bc55c2f57c9f328e26219482cbd [1,1,0,0,0,0|1,0,1]=4 2033 B11R0.5 CCCO[C@H](C)CC(=O)OCC 50122b0db756fef3e2071464e7d8c83a [1,1,0,0,0,0|1,0,1]=4 2034 B11R0.62 C=CCC(=O)NCC(C)CCO bc7a3ca281b9b6803ccb2454b6b50fd2 [1,1,0,0,0,0|2,0,0]=4 2035 B11R0.62 C=CCC(=O)NCC(C)OCC 46be90596571b91d1606c98aacc59af1 [1,1,0,0,0,0|2,0,0]=4 2036 B11R0.62 C=CCC(=O)NCC(O)CCC 40329ebca85d1e4c87ad858010e315d3 [1,1,0,0,0,0|1,0,0]=3 2037 B11R0.62 C=CCC(=O)NCC(O)COC d32aec10ca747dbc17e8d40be4c3e009 [1,1,0,0,0,0|2,0,0]=4 2038 B11R0.62 C=CCC(=O)NC[C@H](O)COC 7d9730b99428a1debe9db3909b200723 [1,1,0,0,0,0|2,0,0]=4 2039 B11R0.62 C=COC(=O)CNC(C)CCC 4f9bba0959c6ce936af59c73b7b4c67a [1,1,0,0,0,0|1,0,0]=3 2040 B11R0.62 C=COC(=O)CNC(C)CCO 1b2aee422756672d8a52adeca4efd2f6 [1,1,0,0,0,0|2,0,0]=4 2041 B11R0.62 C=COC(=O)CNC(C)COC 76daa9aad078e915b175cf77d29d4d78 [1,1,0,0,0,0|2,0,0]=4 2042 B11R0.62 C=COC(=O)CN[C@@H](C)CCC e4fbe77239d0982cbe9ab35bfe19e104 [1,1,0,0,0,0|1,0,0]=3 2043 B11R0.62 C=COC(=O)CN[C@@H](C)CCO c9dec0bcedcd64f63f3c2fc197bc5f68 [1,1,0,0,0,0|2,0,0]=4 2044 B11R0.62 C=COC(=O)CN[C@@H](C)COC 534e0ece2bb7b606ddc832f22cf08f96 [1,1,0,0,0,0|2,0,0]=4 2045 B11R0.62 C=COC(=O)CN[C@H](C)CCO e9cdf615962164e693b7208fbb4a61fb [1,1,0,0,0,0|2,0,0]=4 2046 B11R0.62 C=COC(=O)CN[C@H](C)COC 45df34bbdce7404faffbcb1e662d6e45 [1,1,0,0,0,0|2,0,0]=4 2047 B11R0.62 C=COC(=O)COC(=S)CCC 98fe55cb0fb6adc9720675cd9d92fb98 [1,1,0,0,0,0|1,0,1]=4 2048 B11R0.62 C=COC(=O)COC(C)CCC bf7a1c346530f1a1b5f8ff42d0787434 [1,1,0,0,0,0|1,0,0]=3 2049 B11R0.62 C=COC(=O)COC(C)COC 524e65162cd78d5ebd58628917e5002d [1,1,0,0,0,0|2,0,0]=4 2050 B11R0.62 C=COC(=O)COC(C)CSC a36e707108135b547d9d02fd4fdd0f65 [1,1,0,0,0,0|2,0,0]=4 2051 B11R0.62 C=COC(=O)CO[C@@H](C)CCC 8d39919f0cda2c620f5e01ae7653c635 [1,1,0,0,0,0|1,0,0]=3 2052 B11R0.62 C=COC(=O)CO[C@@H](C)COC c7e8789edd69773a37601cdf476b7f36 [1,1,0,0,0,0|2,0,0]=4 2053 B11R0.62 C=COC(=O)CO[C@H](C)CCC c25f8d8296ae645e679229259c6d9792 [1,1,0,0,0,0|1,0,0]=3 2054 B11R0.62 C=COC(=O)CO[C@H](C)COC 3a200952dbf89a9d9cf945b4d428be97 [1,1,0,0,0,0|2,0,0]=4 2055 B11R0.62 CCCC(C)NCC(=O)OCC 1466e7da9bc0611f9bd8bf212eb7b390 [1,1,0,0,0,0|1,0,1]=4 2056 B11R0.62 CCCC(C)OCC(=O)OCC 4586f4226b99b0b6e1f84961c98bd4e7 [1,1,0,0,0,0|1,0,1]=4 2057 B11R0.62 CCCC(O)CNC(=O)CC=O 7b80dbfab7bcc30d469e3c08a964ed17 [1,1,0,0,0,0|2,0,0]=4 2058 B11R0.62 CCCN(C)CCC(=O)OCC 14094970035f583cd4542bf75bcb2b18 [1,1,0,0,0,0|1,0,1]=4 2059 B11R0.62 CCC[C@@H](C)OCC(=O)OCC 117854438b5e57e82698512a18bdb091 [1,1,0,0,0,0|1,0,1]=4 2060 B11R0.62 CCC[C@H](C)NCC(=O)OCC 84d0944129be6ca109c315b6adc7184f [1,1,0,0,0,0|1,0,1]=4 2061 B11R0.62 CCC[C@H](C)OCC(=O)OCC 4f8e65c4f7fb19978641c08a99e6fd3d [1,1,0,0,0,0|1,0,1]=4 2062 B11R0.142 C=CC(=O)C(=O)NCCCCC 50dd88687870fc9d14f807fb9ea7d35e [1,1,0,0,0,0|1,0,1]=4 2063 B11R0.142 C=CC(C)N(C)CCCCCC f1e9f4cb7462b358285a29f8bdb0aedb [1,1,0,0,0,0|2,0,0]=4 2064 B11R0.142 CCCCCCC(=O)N(C)CC f37ad7c9584108c650a8069f1c38aed9 [1,1,0,0,0,0|1,0,1]=4 2065 B11R0.155 C=CCC(=O)N(C)CCCCC b2d5a795d5e413aaaa3c2cb881406f7c [1,1,0,0,0,0|1,0,0]=3 2066 B11R0.155 C=CCC(=O)N(C)CCCCO ba5a0924ab6a76e29656cdca700e14fe [1,1,0,0,0,0|2,0,0]=4 2067 B11R0.155 C=CCC(=O)N(C)CCCOC fea6ba9f32f59935c0cfaf22eef1a449 [1,1,0,0,0,0|2,0,0]=4 2068 B11R0.155 C=CCC(=O)N(C)CCOCC 1409806076e617a1580d633beaf5f44a [1,1,0,0,0,0|2,0,0]=4 2069 B11R0.155 C=CCN(C)C(C)CCCCC 17e63166c54c74d096d119ddfa02cc88 [1,1,0,0,0,0|2,0,0]=4 2070 B11R0.155 C=CCN(C)[C@@H](C)CCCCC c08bdc29ab56e0815f900e39a01e4ed2 [1,1,0,0,0,0|2,0,0]=4 2071 B11R0.155 CCCCCN(C)C(=O)CC=O 404258a537bd859300969c8d63cd9777 [1,1,0,0,0,0|2,0,0]=4 2072 B11R0.155 CCCCNC(C)C(=O)OCC 27af75240eb222adea8217305b21c51b [1,1,0,0,0,0|1,0,1]=4 2073 B11R0.155 CCCCNC(F)C(=O)OCC cbb807366c8271c89bf86ba45f8377d5 [1,1,0,0,0,0|1,0,1]=4 2074 B11R0.155 CCCCN[C@@H](C)C(=O)OCC 0390b6bec150aae098e56d72342e2ab5 [1,1,0,0,0,0|1,0,1]=4 2075 B11R0.155 CCCCN[C@H](C)C(=O)OCC f67ac1c32543409fe1bcd146334bcbd6 [1,1,0,0,0,0|1,0,1]=4 2076 B11R0.155 CCCCOC(C)C(=O)OCC 32fec4c2f5eb0ee354067915f63330a4 [1,1,0,0,0,0|1,0,1]=4 2077 B11R0.155 CCCCOC(F)C(=O)OCC c5b6a6f493ca1a347bfcca5c59811892 [1,1,0,0,0,0|1,0,1]=4 2078 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 5e71c937499181f8c4615a2661d9385e [1,1,0,0,0,0|1,0,1]=4 2079 B11R0.155 CCCCO[C@H](C)C(=O)OCC 35add22490bf98674657b7331e8a0ce2 [1,1,0,0,0,0|1,0,1]=4 2080 B11R0.155 CCCNCC(C)C(=O)OCC 3544eda917d3f670b876734cc8040ed2 [1,1,0,0,0,0|1,0,1]=4 2081 B11R0.155 CCCNCC(O)C(=O)OCC a6dfe2f7e9169812dac058df308a7496 [1,1,0,0,0,0|1,0,1]=4 2082 B11R0.155 CCCOCC(C)C(=O)OCC aa8153ab2970b3d6980f7ec85c3b60b9 [1,1,0,0,0,0|1,0,1]=4 2083 B11R0.161 C=CCN(C#N)CCCCCC 80f265bc03f6b291f0d9caa4543b56e0 [1,1,0,0,0,0|2,0,0]=4 2084 B11R0.174 C=CCC(=O)NCCC(C)CC 2916a43dfdf1663a5b9500f5d08f692b [1,1,0,0,0,0|1,0,0]=3 2085 B11R0.174 C=CCC(=O)NCCC(C)CO 538908bbbcb806d72a7866f2b40d4e3d [1,1,0,0,0,0|2,0,0]=4 2086 B11R0.174 C=CCC(=O)NCCC(O)CO 6f29c03f97aad80b0d978e33960abc29 [1,1,0,0,0,0|2,0,0]=4 2087 B11R0.174 C=CCC(=O)NCC[C@@H](C)CO 5c8d6964069acf6cd5557037ebaea989 [1,1,0,0,0,0|2,0,0]=4 2088 B11R0.174 C=COC(=O)CNCC(Br)CBr e993664ce8f7ea9143df06f19786e249 [1,1,0,0,0,0|2,0,0]=4 2089 B11R0.174 C=COC(=O)CNCC(C)CC d47ae0a52d5134c07309f65396074b84 [1,1,0,0,0,0|1,0,0]=3 2090 B11R0.174 C=COC(=O)CNCC(C)CO 97cc105ed1e59c2548e33ddc01d00d40 [1,1,0,0,0,0|2,0,0]=4 2091 B11R0.174 C=COC(=O)CNCC(F)CO 3b746ab7e51d137de137900e6ad8eaca [1,1,0,0,0,0|2,0,0]=4 2092 B11R0.174 C=COC(=O)CNCC(O)CC 24c4797a08880799f418476112f3ebaf [1,1,0,0,0,0|1,0,0]=3 2093 B11R0.174 C=COC(=O)CNCC(O)CO b182bd27b904f5cf719511246865738d [1,1,0,0,0,0|2,0,0]=4 2094 B11R0.174 C=COC(=O)CNC[C@@H](C)CC 57ca46fe59a7561cbc6f66f21b92628a [1,1,0,0,0,0|1,0,0]=3 2095 B11R0.174 C=COC(=O)CNC[C@@H](C)OC fa89b53427f2b2fa67def8fdc270896f [1,1,0,0,0,0|2,0,0]=4 2096 B11R0.174 C=COC(=O)CNC[C@@H](F)CO f83a5ece80fe5a670b663629ad55d399 [1,1,0,0,0,0|2,0,0]=4 2097 B11R0.174 C=COC(=O)CNC[C@@H](O)CO 5b337d09f36c8a73e80fac8c86346125 [1,1,0,0,0,0|2,0,0]=4 2098 B11R0.174 C=COC(=O)CNC[C@H](C)CO a1ec3c178d787b4c5986131666c27a7c [1,1,0,0,0,0|2,0,0]=4 2099 B11R0.174 C=COC(=O)CNC[C@H](C)OC ea74eca5d61978e3a35e65f39c0c63a6 [1,1,0,0,0,0|2,0,0]=4 2100 B11R0.174 C=COC(=O)CNC[C@H](F)CO b506104e9f64eb13fd98d5c60b42d9cb [1,1,0,0,0,0|2,0,0]=4 2101 B11R0.174 C=COC(=O)CNC[C@H](O)CC a70b5cdb850cba301101f28bcf3dd0bb [1,1,0,0,0,0|1,0,0]=3 2102 B11R0.174 C=COC(=O)CNC[C@H](O)CO 0be60ae82e6e99bf7cc326b0a6a6e2c6 [1,1,0,0,0,0|2,0,0]=4 2103 B11R0.174 C=COC(=O)COCC(=O)CC 04836562e4b029d9b047a47e7522c45a [1,1,0,0,0,0|1,0,1]=4 2104 B11R0.174 C=COC(=O)COCC(Br)CBr 68603298e08ccaf6e4c6f6238fa61548 [1,1,0,0,0,0|2,0,0]=4 2105 B11R0.174 C=COC(=O)COCC(C)CC 9cdeaf83de8e2990e2bb1f3085b5d47b [1,1,0,0,0,0|1,0,0]=3 2106 B11R0.174 C=COC(=O)COCC(C)OC 9100aa4d8d44dc3fb8ff6f1fef81f38c [1,1,0,0,0,0|2,0,0]=4 2107 B11R0.174 C=COC(=O)COCC(Cl)CCl 2e44687b702eae9ad7316840d60a0383 [1,1,0,0,0,0|2,0,0]=4 2108 B11R0.174 C=COC(=O)COCC(S)CS 6cbe135fe6788cfb1789429604320407 [1,1,0,0,0,0|2,0,0]=4 2109 B11R0.174 C=COC(=O)COC[C@@H](C)CC 1e577eefe9329294beb4245a37136251 [1,1,0,0,0,0|1,0,0]=3 2110 B11R0.174 C=COC(=O)COC[C@@H](C)OC 03d4e07292646c68b17cc32140105ef2 [1,1,0,0,0,0|2,0,0]=4 2111 B11R0.174 C=COC(=O)COC[C@H](C)CC d94691e19d158a2ae5d9b991dd9ff794 [1,1,0,0,0,0|1,0,0]=3 2112 B11R0.174 C=COC(=O)COC[C@H](C)OC 99bb3a9bb0f89d7fa7b7e55c0df02e17 [1,1,0,0,0,0|2,0,0]=4 2113 B11R0.174 CCC(C)CCNC(=O)CC=O 98ae986cb279e19c6c80e894d7b6a152 [1,1,0,0,0,0|2,0,0]=4 2114 B11R0.174 CCOC(=O)CCCN(C)CC fc56025fed81f908bafe7b9c72ec229e [1,1,0,0,0,0|1,0,1]=4 2115 B11R0.174 CCOC(=O)CCNC(C)CC 59533b0e85bb0fa26d54baeb203c3a7b [1,1,0,0,0,0|1,0,1]=4 2116 B11R0.174 CCOC(=O)CCN[C@@H](C)CC 3d178d7c5c2511fe50354017144b2081 [1,1,0,0,0,0|1,0,1]=4 2117 B11R0.174 CCOC(=O)CCN[C@H](C)CC f7a1d8e7b0bb987fc2534c5a576ce7f7 [1,1,0,0,0,0|1,0,1]=4 2118 B11R0.174 CCOC(=O)CCOC(C)CC a38a52f391ad958208708b0bbaef4874 [1,1,0,0,0,0|1,0,1]=4 2119 B11R0.174 CCOC(=O)CCO[C@@H](C)CC 35ee7cfdcd9a935ed936938e5ec441bd [1,1,0,0,0,0|1,0,1]=4 2120 B11R0.174 CCOC(=O)CCO[C@H](C)CC 96293a69e74a3be7e1eead47dafd40dd [1,1,0,0,0,0|1,0,1]=4 2121 B11R0.174 CCOC(=O)CNCC(C)CC 15733929e10d1b9f773a9458c90b10ba [1,1,0,0,0,0|1,0,1]=4 2122 B11R0.174 CCOC(=O)CNCC(O)CC 3bab25d61d723aa0302bb3f746100edb [1,1,0,0,0,0|1,0,1]=4 2123 B11R0.174 CCOC(=O)CNC[C@@H](C)CC de3af74ee73cc70bc82efcb42b3ad43d [1,1,0,0,0,0|1,0,1]=4 2124 B11R0.174 CCOC(=O)CNC[C@H](C)CC a09db25d4e745756044b711429d27215 [1,1,0,0,0,0|1,0,1]=4 2125 B11R0.174 CCOC(=O)CNC[C@H](O)CC 9d4cb04ed54c2e1c907bd531e639bbe2 [1,1,0,0,0,0|1,0,1]=4 2126 B11R0.174 CCOC(=O)COCC(C)CC e43649abaf6b5eab31e4b498ea273dee [1,1,0,0,0,0|1,0,1]=4 2127 B11R0.174 CCOC(=O)COC[C@@H](C)CC 8cadc7324da518b412e3df9518b671a6 [1,1,0,0,0,0|1,0,1]=4 2128 B11R0.174 CCOC(=O)COC[C@H](C)CC a1fb532e5ed4def108423595527735f7 [1,1,0,0,0,0|1,0,1]=4 2129 B11R0.176 C=CCC(=O)NCCCC(C)C 1dcea6a71ddfa8c9060a797915a26460 [1,1,0,0,0,0|1,0,0]=3 2130 B11R0.176 C=CCC(=O)NCCCN(C)C 80a3c5c8c3af9b779925336afc7de121 [1,1,0,0,0,0|2,0,0]=4 2131 B11R0.176 C=CCC(=O)NCCCS(=O)C 83562075bcdaf72ca365a998b7332957 [1,1,0,0,0,0|2,0,0]=4 2132 B11R0.176 C=CCC(=O)NCCOC(C)C 7a10c2c7cbfab2712afe033c7922726f [1,1,0,0,0,0|2,0,0]=4 2133 B11R0.176 C=CCN(C)CCCCC(C)C 0ff5c693695ad7accc904041104f7016 [1,1,0,0,0,0|2,0,0]=4 2134 B11R0.176 C=CCN(C)CCCCC(C)O 9fd43f516b25f0d1a56ebc5c18843cf1 [1,1,0,0,0,0|2,0,0]=4 2135 B11R0.176 C=CCN(C)CCCC[C@@H](C)O 43ccfe8e3b9b531b2450238040853e8f [1,1,0,0,0,0|2,0,0]=4 2136 B11R0.176 C=COC(=O)CNCCC(=C)C 11e65f8a318ef4d712c17916dd6ce847 [1,1,0,0,0,0|1,0,1]=4 2137 B11R0.176 C=COC(=O)CNCCC(C)C 31338d035e59de696e12d98c4a03e3e8 [1,1,0,0,0,0|1,0,0]=3 2138 B11R0.176 C=COC(=O)CNCCC(C)O 719fabe917d70180bfdae66592f0ea35 [1,1,0,0,0,0|1,0,0]=3 2139 B11R0.176 C=COC(=O)CNCCC(F)F 38c0cd99a07ae291caf8529a2b328bdb [1,1,0,0,0,0|2,0,0]=4 2140 B11R0.176 C=COC(=O)CNCCN(C)C 40a37fea961499e056f71a32ea91b1a2 [1,1,0,0,0,0|2,0,0]=4 2141 B11R0.176 C=COC(=O)CNCCS(=O)C 00873a6394f406748d42881f65ff1d45 [1,1,0,0,0,0|2,0,0]=4 2142 B11R0.176 C=COC(=O)CNCC[C@@H](C)O b0447661ed682b824428b3f81cb6d632 [1,1,0,0,0,0|1,0,0]=3 2143 B11R0.176 C=COC(=O)CNCC[C@H](C)O 36930644a2fd855514252c4444d72775 [1,1,0,0,0,0|1,0,0]=3 2144 B11R0.176 C=COC(=O)COCCC(=C)C 5405cd36e8b02fa06f83566e62dd4ea5 [1,1,0,0,0,0|1,0,1]=4 2145 B11R0.176 C=COC(=O)COCCC(=O)C d3ac14e3353a04bbd60e94112a5dc7bc [1,1,0,0,0,0|1,0,1]=4 2146 B11R0.176 C=COC(=O)COCCC(C)C 001457797fc8a5e8d9468a4a4359634a [1,1,0,0,0,0|1,0,0]=3 2147 B11R0.176 C=COC(=O)COCCC(F)F d68a11488de2243a7f0c144219178f37 [1,1,0,0,0,0|2,0,0]=4 2148 B11R0.176 C=COC(=O)COCCN(C)C ea6f5f88c95f2e9cd5044ae8521ca250 [1,1,0,0,0,0|2,0,0]=4 2149 B11R0.176 C=COC(=O)COCCS(=O)C 69c4cb8e3395859e5800894cd82582d4 [1,1,0,0,0,0|2,0,0]=4 2150 B11R0.176 CC(C)CCCNC(=O)CC=O 193ec567d5a6df0438b824f7cad0f246 [1,1,0,0,0,0|2,0,0]=4 2151 B11R0.176 CCOC(=O)CCCNC(C)C 6090aeca0c12e15306006f1b8129a307 [1,1,0,0,0,0|1,0,1]=4 2152 B11R0.176 CCOC(=O)CCCOC(C)C cb3990b77ac8614d5a199dee0b6c670a [1,1,0,0,0,0|1,0,1]=4 2153 B11R0.176 CCOC(=O)CCNCC(C)C a4a22cd37d958cae8ceeb73387556b90 [1,1,0,0,0,0|1,0,1]=4 2154 B11R0.176 CCOC(=O)CCNCC(C)O be2b98916a55b42175156b0abd4f7e8f [1,1,0,0,0,0|1,0,1]=4 2155 B11R0.176 CCOC(=O)CCNC[C@@H](C)O 4a1dd57d45a3dc61a46db3bb3a9bbcb9 [1,1,0,0,0,0|1,0,1]=4 2156 B11R0.176 CCOC(=O)CCNC[C@H](C)O b78bb5c7366f131676015783c3a6e13b [1,1,0,0,0,0|1,0,1]=4 2157 B11R0.176 CCOC(=O)CCOCC(C)C 294a8e4c83ec6dde1c3beb7fda5e7260 [1,1,0,0,0,0|1,0,1]=4 2158 B11R0.176 CCOC(=O)CCOCC(C)F c77fad289fbad8a1e945795c54dc9cf2 [1,1,0,0,0,0|1,0,1]=4 2159 B11R0.176 CCOC(=O)CCOCC(C)S 7cce85eff7c24ee98ee771c3fe4f4461 [1,1,0,0,0,0|1,0,1]=4 2160 B11R0.176 CCOC(=O)CCOC[C@@H](C)F a028819f3f04aa6f49ddd16540f722c6 [1,1,0,0,0,0|1,0,1]=4 2161 B11R0.176 CCOC(=O)CCOC[C@H](C)F 4e371a4629921c3a6f195a5e5c9da766 [1,1,0,0,0,0|1,0,1]=4 2162 B11R0.176 CCOC(=O)CNCCC(C)C 9358c2b2b2d238560b9509b95c6cc015 [1,1,0,0,0,0|1,0,1]=4 2163 B11R0.176 CCOC(=O)CNCCC(C)O e1f9006d512cde7fecb5f51e75dc346a [1,1,0,0,0,0|1,0,1]=4 2164 B11R0.176 CCOC(=O)CNCC[C@@H](C)O 84bb1fed0add28b47c15f032556c1047 [1,1,0,0,0,0|1,0,1]=4 2165 B11R0.176 CCOC(=O)CNCC[C@H](C)O aa5de25fbf023820ef33b008e20907c8 [1,1,0,0,0,0|1,0,1]=4 2166 B11R0.176 CCOC(=O)COCCC(C)C b1594b7f7bda34bad84bf73b0d0f32ac [1,1,0,0,0,0|1,0,1]=4 2167 B11R0.3 C#CCCCCCCOCC=C 392e848506bbe8de13c10e027f0ccda6 [1,1,0,0,0,0|0,0,2]=4 2168 B11R0.3 C/C=C/CCOCCCCCC 8c3ad0457a3e830872c3530027a04f1e [1,1,0,0,0,0|2,0,0]=4 2169 B11R0.3 C/C=C/CNCCCCCCC af0fdf38ebb307486bc264784ccd3c83 [1,1,0,0,0,0|1,0,1]=4 2170 B11R0.3 C/C=C/COCCCCCCC 67d80454e207dd5a1825d1eef2cf7e69 [1,1,0,0,0,0|0,0,1]=3 2171 B11R0.3 C/C=C/COCCCCCCF 1a83c2bed2ad66d92855e620e549b963 [1,1,0,0,0,0|1,0,1]=4 2172 B11R0.3 C/C=C/COCCCCCCS 091b149c628486ec939ef6d344ea17f0 [1,1,0,0,0,0|1,0,1]=4 2173 B11R0.3 C/C=C/COCCCCCOC 821ccc7dd348e6635dabc1d0b02e8427 [1,1,0,0,0,0|1,0,1]=4 2174 B11R0.3 C/C=C/COCCCOCCC 49a571a1d37953227778623e379bf76b [1,1,0,0,0,0|1,0,1]=4 2175 B11R0.3 C/C=C/COCCOCCCC 613aa2fbbaf38c5f6c5da720bf3ad544 [1,1,0,0,0,0|1,0,1]=4 2176 B11R0.3 C/C=C/COCCSCCCC 94c77a7ffbcdab0701d8a6f37710c09f [1,1,0,0,0,0|1,0,1]=4 2177 B11R0.3 C/C=C\CNCCCCCCC 9dd75a327d2457b018c6d50d1310b411 [1,1,0,0,0,0|1,0,1]=4 2178 B11R0.3 C/C=C\COCCCCCCC 48c8f8426fdc5f9bef7e34a4312ddd6d [1,1,0,0,0,0|0,0,1]=3 2179 B11R0.3 C/C=C\COCCCCCCF 126aea7232dc7a0b430c4dee03ceaec0 [1,1,0,0,0,0|1,0,1]=4 2180 B11R0.3 C/C=C\COCCCCCCS 081cdd454bfaee6f795bf7b4f95af9fa [1,1,0,0,0,0|1,0,1]=4 2181 B11R0.3 C/C=C\COCCCCCOC 4e639fe74d7ef5f7d30bdfde75120077 [1,1,0,0,0,0|1,0,1]=4 2182 B11R0.3 C/C=C\COCCCOCCC 16369499383e62b52fb77a251c8989d0 [1,1,0,0,0,0|1,0,1]=4 2183 B11R0.3 C/C=C\COCCOCCCC dfe99dfdd74fbf68f2859b7251586665 [1,1,0,0,0,0|1,0,1]=4 2184 B11R0.3 C/C=C\COCCSCCCC 4e911834bfd762f76c728653e4156155 [1,1,0,0,0,0|1,0,1]=4 2185 B11R0.3 C=C=CCCOCCCCCC 5d3d3a98576b836d28e9a60568eb9441 [1,1,0,0,0,0|2,0,0]=4 2186 B11R0.3 C=CCC#CCCOCCCC e7b532714acf833768677c682b6c88c2 [1,1,0,0,0,0|1,0,1]=4 2187 B11R0.3 C=CCCCCCCCOCC ed14b0620af6de10a0e50df9aa44f9c3 [1,1,0,0,0,0|1,0,1]=4 2188 B11R0.3 C=CCCCCCCNCCC a40bb91c630069b9a44746e8fb1ba5be [1,1,0,0,0,0|1,0,1]=4 2189 B11R0.3 C=CCCCCCCOCC=C f2a995c2a28ed1cfc5833967cab3bf67 [1,1,0,0,0,0|0,0,2]=4 2190 B11R0.3 C=CCCCCCCOCCC af0fc2056d78c68262c9655cb905d458 [1,1,0,0,0,0|1,0,1]=4 2191 B11R0.3 C=CCCCCCNCCCC 009368897ac39b99fc20760d8f7a7a77 [1,1,0,0,0,0|1,0,1]=4 2192 B11R0.3 C=CCCCCCOCCCC 580bca9ccc39bf087cb9fbf52b121e2d [1,1,0,0,0,0|1,0,1]=4 2193 B11R0.3 C=CCCCCNCCCCC c38c9382edb4f72ed2fe2f11cb49092f [1,1,0,0,0,0|1,0,1]=4 2194 B11R0.3 C=CCCCCOCCCCC 8b612cdb52ccc179804553965ee56419 [1,1,0,0,0,0|1,0,1]=4 2195 B11R0.3 C=CCCCNCCCCCC 76af61b3540584ce9d68dfdb439ae738 [1,1,0,0,0,0|1,0,1]=4 2196 B11R0.3 C=CCCCOCCCCCC 7b128642b816d84d36be162dfb6b66f7 [1,1,0,0,0,0|1,0,1]=4 2197 B11R0.3 C=CCCNCCCCCCC ce62f32ebc0ff4d7c79abb8227eba886 [1,1,0,0,0,0|1,0,1]=4 2198 B11R0.3 C=CCCNCCCCCCCl c5391ff4e8b2661a4d15d0d9d68f0ea2 [1,1,0,0,0,0|2,0,0]=4 2199 B11R0.3 C=CCCNCCCCCCF 96608bc5b0b1991b887290fb940a1233 [1,1,0,0,0,0|2,0,0]=4 2200 B11R0.3 C=CCCNCCCCCCO eac0a933f6408e6c89b8d8d5b327ef77 [1,1,0,0,0,0|2,0,0]=4 2201 B11R0.3 C=CCCNCCCCCOC e94e2a0d0568da90af7515b6bfeb3db5 [1,1,0,0,0,0|2,0,0]=4 2202 B11R0.3 C=CCCNCCCCSCC b263f09ca351ba28ea5b018d3b2637d5 [1,1,0,0,0,0|2,0,0]=4 2203 B11R0.3 C=CCCNCCCOCCC e083677f6541af9ec78b14fe87ea1991 [1,1,0,0,0,0|2,0,0]=4 2204 B11R0.3 C=CCCNCCOCCCC b9a8152b16384b4641135fb64d28278c [1,1,0,0,0,0|2,0,0]=4 2205 B11R0.3 C=CCCOCCCCCCC 8d06e26ebbdf8e7dffb8f7a6170401d7 [1,1,0,0,0,0|0,0,1]=3 2206 B11R0.3 C=CCCOCCCCCCF 034f47757fc3057a19b106b427d77de4 [1,1,0,0,0,0|1,0,1]=4 2207 B11R0.3 C=CCCOCCCCCCS a14bbc3920754f3bae6049e5fbd834a0 [1,1,0,0,0,0|1,0,1]=4 2208 B11R0.3 C=CCCOCCCCCOC eb6189d8bd262f7d4c84b16322d40630 [1,1,0,0,0,0|1,0,1]=4 2209 B11R0.3 C=CCCOCCCOCCC a4f93f282b0ac7a5b2aa10a2c9831f89 [1,1,0,0,0,0|1,0,1]=4 2210 B11R0.3 C=CCCOCCOCCCC ceb27f8fc00757cd247493790fef63e6 [1,1,0,0,0,0|1,0,1]=4 2211 B11R0.3 C=CCCOCCSCCCC b5254fdb9c7a41ce55524d0e27d02f4b [1,1,0,0,0,0|1,0,1]=4 2212 B11R0.3 C=CCNCCCCCCCC bfc9a2fcdb2e10a56b8cbe225faaa255 [1,1,0,0,0,0|1,0,1]=4 2213 B11R0.3 C=CCNCCCCCCCO b42362915ec5348648478b7195305a17 [1,1,0,0,0,0|1,0,1]=4 2214 B11R0.3 C=CCNCCCCSCCC 063f62bc98d9c508c278041b0c14230d [1,1,0,0,0,0|1,0,1]=4 2215 B11R0.3 C=CCNCCCOCCCC 7f8dc0700cf351cc0dd95bb1c92bf8c4 [1,1,0,0,0,0|1,0,1]=4 2216 B11R0.3 C=CCOC/C=C/CCCCC 4c5e89652be9b5404fb55a7036bb3996 [1,1,0,0,0,0|0,0,1]=3 2217 B11R0.3 C=CCOCC#CCCCCC 26bfea30b17ee62bfd6aad7d7fd35cfb [1,1,0,0,0,0|0,0,2]=4 2218 B11R0.3 C=CCOCC/C=C\CCCC f2dff14939c5eaad2214a6ee5c8fd501 [1,1,0,0,0,0|0,0,2]=4 2219 B11R0.3 C=CCOCCC#CCCCC 4a88a4e18d9c2ab2a98072b8b59c3004 [1,1,0,0,0,0|0,0,2]=4 2220 B11R0.3 C=CCOCCC/C=C/CCC 5d9356247ee2a4b67fcad93f1a87df12 [1,1,0,0,0,0|0,0,2]=4 2221 B11R0.3 C=CCOCCC/C=C\CCC 2034f13489366ad6a174e638b7a18f70 [1,1,0,0,0,0|0,0,2]=4 2222 B11R0.3 C=CCOCCCC/C=C\CC d84fc03c3f74cdecd791c42a556adf15 [1,1,0,0,0,0|0,0,2]=4 2223 B11R0.3 C=CCOCCCCCCCC 49a99e47fdc5a48a8387d42d9cb8bfc1 [1,1,0,0,0,0|0,0,1]=3 2224 B11R0.3 C=CCOCCCCCCOC 01d8c9b2a51c7c1f840d8ed2e9a6d6b3 [1,1,0,0,0,0|0,0,1]=3 2225 B11R0.3 C=CCOCCCOCCCC 7d4ff83f0ed1b9ca130ff94d54921788 [1,1,0,0,0,0|0,0,1]=3 2226 B11R0.3 C=CCOCCCOCCOC b4e189868f26bc0ab04d7e54462834bd [1,1,0,0,0,0|1,0,1]=4 2227 B11R0.3 C=CCOCCNCCCCC ffc64d5e7f7f8e29a878d7dda7da1add [1,1,0,0,0,0|0,0,1]=3 2228 B11R0.3 C=CCOCCNCCCCCl 151326c54d74781d1c56c7b2b9e0e51b [1,1,0,0,0,0|1,0,1]=4 2229 B11R0.3 C=CCOCCNCCCCO f080a11c20bc048df0b2c4c99ae5ce66 [1,1,0,0,0,0|1,0,1]=4 2230 B11R0.3 C=CCOCCNCCCCS 5bb8fd97a9793dc2cee72595a55b5299 [1,1,0,0,0,0|1,0,1]=4 2231 B11R0.3 C=CCOCCNCCCOC 449f5da89aa893282dd27060369cdd73 [1,1,0,0,0,0|1,0,1]=4 2232 B11R0.3 C=CCOCCNCCCSC a9a39f9eeb688bd79c1c2b62758b49dd [1,1,0,0,0,0|1,0,1]=4 2233 B11R0.3 C=CCOCCNCCOCC 80087ce1085f1fdd9773395b0d319910 [1,1,0,0,0,0|1,0,1]=4 2234 B11R0.3 C=CCOCCNCCSCC 4bebf952a2f30d945ad4cd778e7dff85 [1,1,0,0,0,0|1,0,1]=4 2235 B11R0.3 C=CCOCCOCCCCC 383584e1a2897187a25e8d7f909c2c01 [1,1,0,0,0,0|0,0,1]=3 2236 B11R0.3 C=CCOCCOCCCCF 0b57c618aab09ca6e76674480b0bb2df [1,1,0,0,0,0|1,0,1]=4 2237 B11R0.3 C=CCOCCOCCCCS 866bb3d1cc952dd49a436de5aa298f9e [1,1,0,0,0,0|1,0,1]=4 2238 B11R0.3 C=CCOCCOCCCOC 362afcb94b8de7d1882eaf43c33a713d [1,1,0,0,0,0|1,0,1]=4 2239 B11R0.3 C=CCOCCOCCCSC abd42331b618ab20e88d24a885b42277 [1,1,0,0,0,0|1,0,1]=4 2240 B11R0.3 C=CCOCCOCCOCC d07f7ead356267a30f647ce4c7088f47 [1,1,0,0,0,0|1,0,1]=4 2241 B11R0.3 C=CCOCCOCCSCC 1a1acadd212b801d85fb9fcc801b922a [1,1,0,0,0,0|1,0,1]=4 2242 B11R0.3 C=COCCNCCCCCC bf6cc8dc48a78c74966e5e61af482126 [1,1,0,0,0,0|2,0,0]=4 2243 B11R0.3 C=COCCOCCCCCC c4fbe42354451c2e8756a643fb897441 [1,1,0,0,0,0|2,0,0]=4 2244 B11R0.3 CC=CCNCCCCCCC 7008f5a91daa02e914ed344aafa7e9d0 [1,1,0,0,0,0|1,0,1]=4 2245 B11R0.3 CC=CCOCCCCCCC 46a2177b7fee8ebd05148c40489b256d [1,1,0,0,0,0|0,0,1]=3 2246 B11R0.3 CC=CCOCCCCCCF 58dd9025de1a019538fac1cc13eacd12 [1,1,0,0,0,0|1,0,1]=4 2247 B11R0.3 CC=CCOCCCCCOC ec08773db7fc2ba09eb1eb8be204aed5 [1,1,0,0,0,0|1,0,1]=4 2248 B11R0.3 CC=CCOCCCOCCC 19df180950b21e49ab3defe02752258c [1,1,0,0,0,0|1,0,1]=4 2249 B11R0.3 CC=CCOCCOCCCC b4c3a6bd19c475df34c6a1ba0511a41c [1,1,0,0,0,0|1,0,1]=4 2250 B11R0.3 CCCCC/C=C/COCC=O 2558cf6cdbd0d16b04fc977fd006358a [1,1,0,0,0,0|1,0,1]=4 2251 B11R0.3 CCCCCCCCOCC=O 4b7128d965398d7a6aa7d6d1f071599b [1,1,0,0,0,0|1,0,1]=4 2252 B11R0.3 CCCCCCCNC/C=C/Cl 637e7cc26c94edd1a7a07e5f341a649f [1,1,0,0,0,0|1,0,1]=4 2253 B11R0.3 CCCCCCCNC/C=C\Cl fceca85c8e58a288d7d9b590362e2068 [1,1,0,0,0,0|1,0,1]=4 2254 B11R0.3 CCCCCCCNC/C=C\O 68625962180e5c7cd6474c4bc6a5cb81 [1,1,0,0,0,0|1,0,1]=4 2255 B11R0.3 CCCCCCCOC/C=C/Cl dffe18752c234ea481b343adb229ea78 [1,1,0,0,0,0|0,0,1]=3 2256 B11R0.3 CCCCCCCOC/C=C\Cl c43cba169af3591ad88223be073855c8 [1,1,0,0,0,0|0,0,1]=3 2257 B11R0.3 CCCCCCCOCC=CCl a695a2b133c28c6337341b52e4d6b842 [1,1,0,0,0,0|0,0,1]=3 2258 B11R0.3 CCCCCCCOCCC=O 5cfef64155cbae6dbc467da4dd4c8b26 [1,1,0,0,0,0|0,0,2]=4 2259 B11R0.3 CCCCCNCCOCC=O 3f66e4524b397737ead1caa774dffa49 [1,1,0,0,0,0|1,0,1]=4 2260 B11R0.3 CCCCCOCCOCC=O 02ddde86fbfd038a8465e02660be3929 [1,1,0,0,0,0|1,0,1]=4 2261 B11R0.3 CCCCOCCCOCC=O 94ff9f42eaa47cb79d9ba42d23166912 [1,1,0,0,0,0|1,0,1]=4 2262 B11R0.3 CCCCOCCOC/C=C/Cl 71efc6137ac2962679fc368a8b899dd5 [1,1,0,0,0,0|1,0,1]=4 2263 B11R0.3 CCCCOCCOC/C=C\Cl a7dd338e253f168ac046d034abbc3ae6 [1,1,0,0,0,0|1,0,1]=4 2264 B11R0.3 CCCCOCCOCC=CCl 4f7de86a66c649b20d02b1c7923abbe6 [1,1,0,0,0,0|1,0,1]=4 2265 B11R0.3 CCCCSCCOC/C=C/Cl 129024461c283b4da479931c0aeb9f5f [1,1,0,0,0,0|1,0,1]=4 2266 B11R0.3 CCCCSCCOC/C=C\Cl 16c8658230d3c0d5565547392142a33e [1,1,0,0,0,0|1,0,1]=4 2267 B11R0.3 CCCOCCCOC/C=C/Cl 7618926888f6942861c5916167ed65b5 [1,1,0,0,0,0|1,0,1]=4 2268 B11R0.3 CCCOCCCOCC=CCl 5b7f3059c4330c7433d343d81c25b182 [1,1,0,0,0,0|1,0,1]=4 2269 B11R0.3 COCCCCCCOCC=O 6689b83a6bb00c92a664ac452ab13f7a [1,1,0,0,0,0|1,0,1]=4 2270 B11R0.3 COCCCCCOC/C=C/Cl 5a7deb9c2bffe6316fe368af89c97f2f [1,1,0,0,0,0|1,0,1]=4 2271 B11R0.3 COCCCCCOCC=CCl e0c959672605bb025ffbe69c2e7ddef8 [1,1,0,0,0,0|1,0,1]=4 2272 B11R0.3 FCCCCCCOC/C=C/Cl 089bbb7224782f6d70bf151f7c350970 [1,1,0,0,0,0|1,0,1]=4 2273 B11R0.3 FCCCCCCOC/C=C\Cl b5477dbcb9f6d1cea44aa3f53af0d442 [1,1,0,0,0,0|1,0,1]=4 2274 B11R0.3 FCCCCCCOCC=CCl c8b77f8403f5599390225b45510c5aa8 [1,1,0,0,0,0|1,0,1]=4 2275 B11R0.3 SCCCCCCOC/C=C/Cl 0acc57b57193c8125fde52a1452f744d [1,1,0,0,0,0|1,0,1]=4 2276 B11R0.3 SCCCCCCOC/C=C\Cl 4788d11c38b9644f29bbd3122ea6d01c [1,1,0,0,0,0|1,0,1]=4 2277 B11R0.40 C=CC(C)COCCCCCC e8c550ade22d676da357de4f629df640 [1,1,0,0,0,0|2,0,0]=4 2278 B11R0.40 C=CC(C)NCCCCCCC 63a13bfaf1c25ce77bd5f05cf9652fdf [1,1,0,0,0,0|1,0,1]=4 2279 B11R0.40 C=CC(C)OCCCCCCC b0311bf4ebfcfc8b0e48448f7ef9ab9b [1,1,0,0,0,0|0,0,1]=3 2280 B11R0.40 C=CC(C)OCCCCCCF 1e3e5700754c4df7c544f8516b244129 [1,1,0,0,0,0|1,0,1]=4 2281 B11R0.40 C=CC(C)OCCCCCCS 430bb0a87f15f98e9e715392c5eb00d1 [1,1,0,0,0,0|1,0,1]=4 2282 B11R0.40 C=CC(C)OCCCCCOC c606ef25c675561ea942a68f11fae5ba [1,1,0,0,0,0|1,0,1]=4 2283 B11R0.40 C=CC(C)OCCCOCCC b358c4581b1ab25737ade5982cee70e9 [1,1,0,0,0,0|1,0,1]=4 2284 B11R0.40 C=CC(C)OCCOCCCC e332afc67c3638aaa5003ba2dd3aad78 [1,1,0,0,0,0|1,0,1]=4 2285 B11R0.40 C=CC(C)OCCSCCCC 560a6f45a0a4692ed39e9048217aaefe [1,1,0,0,0,0|1,0,1]=4 2286 B11R0.40 C=CC(O)CNCCCCCC b79358333ab692d8b297775ed406ef8d [1,1,0,0,0,0|2,0,0]=4 2287 B11R0.40 C=CCCOCCCC(C)CC 137589a36812438df44bbe68fa3a5e63 [1,1,0,0,0,0|2,0,0]=4 2288 B11R0.40 C=CCCOCCC[C@@H](C)CC 515afa5b4252f0dcf8e99ce01c94c76e [1,1,0,0,0,0|2,0,0]=4 2289 B11R0.40 C=CCOCCCCC(C)CC a3fb12de4d4b41b9d7a07998d449b18d [1,1,0,0,0,0|0,0,1]=3 2290 B11R0.40 C=CCOCCCC[C@@H](C)CC cd70f960ec180c0c97d29bf003fde4ec [1,1,0,0,0,0|0,0,1]=3 2291 B11R0.40 C=CCOCCNCC(C)CC 12f96cfb71d81123af9750d257872697 [1,1,0,0,0,0|1,0,1]=4 2292 B11R0.40 C=CCOCCNCC(O)CC 8e1bce6ff16b59d86162747d761eb0d7 [1,1,0,0,0,0|1,0,1]=4 2293 B11R0.40 C=CCOCCNC[C@@H](C)CC 6f5083b1ef0e6d8150d43ef4506d6f87 [1,1,0,0,0,0|1,0,1]=4 2294 B11R0.40 C=CCOCCNC[C@H](O)CC 51c1c0e1612fda0116a612804b7bfbab [1,1,0,0,0,0|1,0,1]=4 2295 B11R0.40 C=CCOCCOCC(C)CC 134225d8b3d948be23d969f05512c084 [1,1,0,0,0,0|1,0,1]=4 2296 B11R0.40 C=CCOCCOC[C@@H](C)CC bfd399acabb17843f593890f89f5032c [1,1,0,0,0,0|1,0,1]=4 2297 B11R0.40 C=CCOCCOC[C@H](C)CC b19ce4f146b0aa06684c43c0d5fb9482 [1,1,0,0,0,0|1,0,1]=4 2298 B11R0.40 C=C[C@H](C)OCCCCCCC af84f4f08edf38169cc50500eea3f0fe [1,1,0,0,0,0|0,0,1]=3 2299 B11R0.40 C=C[C@H](C)OCCCCCCF 7d506e0d00040aeefe6fe3b98b1083ab [1,1,0,0,0,0|1,0,1]=4 2300 B11R0.40 C=C[C@H](C)OCCCCCOC c457f14e9fe9317daa706b59f88c0019 [1,1,0,0,0,0|1,0,1]=4 2301 B11R0.40 C=C[C@H](C)OCCCOCCC fb7f5301fc484f8f1b84044c37e684d1 [1,1,0,0,0,0|1,0,1]=4 2302 B11R0.40 C=C[C@H](C)OCCOCCCC 4ed1997c8157368c4c6f28eef7cc444a [1,1,0,0,0,0|1,0,1]=4 2303 B11R0.40 CCC(C)CCCCOCC=O 72323c81ce12673efdf5e1c17a59db2a [1,1,0,0,0,0|1,0,1]=4 2304 B11R0.40 CCCCCCCOC(C)C=O ce702fa237a479f3af9593c724616c46 [1,1,0,0,0,0|1,0,1]=4 2305 B11R0.40 CCCCCCCO[C@H](C)C=O 691ec2d9703b4e379442bde1f5a65178 [1,1,0,0,0,0|1,0,1]=4 2306 B11R0.40 CC[C@H](C)CCCCOCC=O 0222482effa4b70d5115360f9fb6c0b1 [1,1,0,0,0,0|1,0,1]=4 2307 B11R0.140 C=CCCNC(C)CCCCC 195642a11102652a366876131e360dae [1,1,0,0,0,0|2,0,0]=4 2308 B11R0.140 C=CCCN[C@@H](C)CCCCC 8011f0fbdba68e5a7ed0fe1a1de64f47 [1,1,0,0,0,0|2,0,0]=4 2309 B11R0.140 C=CCCOC(C)CCCCC 0674bd7ad4b82713d3054fec519b7071 [1,1,0,0,0,0|2,0,0]=4 2310 B11R0.140 C=CCCO[C@@H](C)CCCCC e94794e481d64dafbcfd2292f8da503f [1,1,0,0,0,0|2,0,0]=4 2311 B11R0.140 C=CCCO[C@H](C)CCCCC d489e0f89e8de2a7a5c798580c64906a [1,1,0,0,0,0|2,0,0]=4 2312 B11R0.140 C=CCOCC(C)CCCCC dde47fa40012a29f90c1bea0358b8a6f [1,1,0,0,0,0|0,0,1]=3 2313 B11R0.140 C=CCOCC(C)COCCC 16229e9935c12a71f693f82f2329f774 [1,1,0,0,0,0|1,0,1]=4 2314 B11R0.140 CCCCCC(C)COCC=O 4a1b0545365bd5f732037377ea10668c [1,1,0,0,0,0|1,0,1]=4 2315 B11R0.148 C=C(Br)CCOCCCCCC a6f96aa10bef0cb6b12500bf2b506dde [1,1,0,0,0,0|2,0,0]=4 2316 B11R0.148 C=C(Br)CNCCCCCCC a2c5c3a5c8b39ffc6201a20725555b17 [1,1,0,0,0,0|1,0,1]=4 2317 B11R0.148 C=C(Br)COCCCCCCC 2d3f57176c9c65c11b1e93be7df8b6f4 [1,1,0,0,0,0|0,0,1]=3 2318 B11R0.148 C=C(Br)COCCCCCCF 77ab45830ae1d3dff43a0cd9301b63af [1,1,0,0,0,0|1,0,1]=4 2319 B11R0.148 C=C(Br)COCCCCCCS b4618afefa8c80dbd886ef21ddbec951 [1,1,0,0,0,0|1,0,1]=4 2320 B11R0.148 C=C(Br)COCCCCCOC 37b0377cd4e872d3447b63ec7b9aa638 [1,1,0,0,0,0|1,0,1]=4 2321 B11R0.148 C=C(Br)COCCCOCCC 1ff008d3f4eb277cf267176c9d222856 [1,1,0,0,0,0|1,0,1]=4 2322 B11R0.148 C=C(Br)COCCOCCCC 54d317d51071e7efb0061c7463cd1518 [1,1,0,0,0,0|1,0,1]=4 2323 B11R0.148 C=C(Br)COCCSCCCC 8435bc2c7e6172196edbb8f408e17aea [1,1,0,0,0,0|1,0,1]=4 2324 B11R0.148 C=C(C)CCNCCCCCC 7e6410037cc055178b065ec8aa195598 [1,1,0,0,0,0|2,0,0]=4 2325 B11R0.148 C=C(C)CCOCCCCCC f3b42b02f97b5ae546a5d0ce100d5f9b [1,1,0,0,0,0|2,0,0]=4 2326 B11R0.148 C=C(C)CNCCCCCCC b09be588b32545d66c354051c751378d [1,1,0,0,0,0|1,0,1]=4 2327 B11R0.148 C=C(C)COCCCCCCC 6e86eb79eebc0414260368e904a927e1 [1,1,0,0,0,0|0,0,1]=3 2328 B11R0.148 C=C(C)COCCCCCCF 380bb7bd21d3f8f1d87af05d88324047 [1,1,0,0,0,0|1,0,1]=4 2329 B11R0.148 C=C(C)COCCCCCCS 3f0f1a29aec0b299137fee03b115444c [1,1,0,0,0,0|1,0,1]=4 2330 B11R0.148 C=C(C)COCCCCCOC ed97d18a550e659e47226632b251e7bb [1,1,0,0,0,0|1,0,1]=4 2331 B11R0.148 C=C(C)COCCCOCCC cf5cc5a18d508235c9f5414fa129b4cf [1,1,0,0,0,0|1,0,1]=4 2332 B11R0.148 C=C(C)COCCOCCCC 01d4de70de3af1ba59b4d422fb0d6d4e [1,1,0,0,0,0|1,0,1]=4 2333 B11R0.148 C=C(C)COCCSCCCC f1e3c253a1b49c4853ab945b5a2eb533 [1,1,0,0,0,0|1,0,1]=4 2334 B11R0.148 C=C(Cl)CNCCCCCCC 7a0fa4242a58853f2d6992ce3c58e601 [1,1,0,0,0,0|1,0,1]=4 2335 B11R0.148 C=C(Cl)COCCCCCCC 2ebbdffeb133533b445815f4f9debd40 [1,1,0,0,0,0|0,0,1]=3 2336 B11R0.148 C=C(Cl)COCCCCCCF 3f60018b58b2492fb8d02d7617bf401c [1,1,0,0,0,0|1,0,1]=4 2337 B11R0.148 C=C(Cl)COCCCCCCS e364d5c276b3d5099f08cf99f4044bc8 [1,1,0,0,0,0|1,0,1]=4 2338 B11R0.148 C=C(Cl)COCCCCCOC 9348980f60fe1952e59a44ab25d81097 [1,1,0,0,0,0|1,0,1]=4 2339 B11R0.148 C=C(Cl)COCCCOCCC f9fb7048f348df1c6ebdd2a8c20a26b0 [1,1,0,0,0,0|1,0,1]=4 2340 B11R0.148 C=C(Cl)COCCOCCCC d3802129f2aa4a7c4a07ecc549c689df [1,1,0,0,0,0|1,0,1]=4 2341 B11R0.148 C=C(Cl)COCCSCCCC c0039600e0515969efffe0ab57d384a9 [1,1,0,0,0,0|1,0,1]=4 2342 B11R0.148 C=C(F)CNCCCCCCC 33b7a963b6b3a4d0ec93076c10be1825 [1,1,0,0,0,0|1,0,1]=4 2343 B11R0.148 C=C(F)COCCCCCCC 8f56dd536e780ef08f69e4d7538969de [1,1,0,0,0,0|0,0,1]=3 2344 B11R0.148 C=C(F)COCCCCCCF 1ec7e689855b7e109c6fcafd469c4d85 [1,1,0,0,0,0|1,0,1]=4 2345 B11R0.148 C=C(F)COCCCCCCS 4d307b356c81648c526669189cb577f9 [1,1,0,0,0,0|1,0,1]=4 2346 B11R0.148 C=C(F)COCCCCCOC a37e231a29db0d75dba341bc28783e92 [1,1,0,0,0,0|1,0,1]=4 2347 B11R0.148 C=C(F)COCCCOCCC 66754cd763307afb65a810f1993f3bb9 [1,1,0,0,0,0|1,0,1]=4 2348 B11R0.148 C=C(F)COCCOCCCC a79aca5aa785e6d08dc93eb83407644e [1,1,0,0,0,0|1,0,1]=4 2349 B11R0.148 C=C(I)COCCCCCCC 1f40c8fadf0ee0af29c66374f033ff62 [1,1,0,0,0,0|0,0,1]=3 2350 B11R0.148 C=C(I)COCCCCCCF 2e5b78b5f45783514bf1fd8082732f3e [1,1,0,0,0,0|1,0,1]=4 2351 B11R0.148 C=C(I)COCCCCCOC 8a182eab1313e088d37cb79a86db4f42 [1,1,0,0,0,0|1,0,1]=4 2352 B11R0.148 C=C(I)COCCCOCCC 195775eb4b1996b81a9f4f06d32150be [1,1,0,0,0,0|1,0,1]=4 2353 B11R0.148 C=C(I)COCCOCCCC d1f24edc5d923b085c18152641a8ce57 [1,1,0,0,0,0|1,0,1]=4 2354 B11R0.148 C=CCCNCCCCC(C)C c2beb7f017e80829398372b93b824468 [1,1,0,0,0,0|2,0,0]=4 2355 B11R0.148 C=CCCNCCCCC(C)O d05a1b5d3e77e9adb9eff93eecec6c5e [1,1,0,0,0,0|2,0,0]=4 2356 B11R0.148 C=CCCNCCCC[C@@H](C)O 8f328e1752482249385e822d3238144d [1,1,0,0,0,0|2,0,0]=4 2357 B11R0.148 C=CCCOCCCCC(C)C f6bda8b7c158535f791755a9ce160e8f [1,1,0,0,0,0|2,0,0]=4 2358 B11R0.148 C=CCNCCCCCC(C)C ff15c3c17f1c7966dca038c34306642c [1,1,0,0,0,0|1,0,1]=4 2359 B11R0.148 C=CCOCCCCCC(C)C bbe0eca2170c1b3465975e7c964e0473 [1,1,0,0,0,0|0,0,1]=3 2360 B11R0.148 C=CCOCCCCCN(C)C 1cc8bcea85585bbfb8fd46f70cd038b7 [1,1,0,0,0,0|1,0,1]=4 2361 B11R0.148 C=CCOCCCOCC(C)C 277b71345fe1a810bfefb89a091d0679 [1,1,0,0,0,0|1,0,1]=4 2362 B11R0.148 C=CCOCCCSCC(C)C 9c32860f946272b4642dc4afbbb98560 [1,1,0,0,0,0|1,0,1]=4 2363 B11R0.148 C=CCOCCNCCC(C)C f69603469c0b6478cccb15117ddb68bd [1,1,0,0,0,0|1,0,1]=4 2364 B11R0.148 C=CCOCCNCCC(C)O ee49b905615e2326f86359a0e0806d74 [1,1,0,0,0,0|1,0,1]=4 2365 B11R0.148 C=CCOCCNCC[C@@H](C)O dd7e690e3dc15d244db1ba4dfbc4e8d6 [1,1,0,0,0,0|1,0,1]=4 2366 B11R0.148 C=CCOCCNCC[C@H](C)O 5821d442eebe541cb5a194db990a613f [1,1,0,0,0,0|1,0,1]=4 2367 B11R0.148 C=CCOCCOCCC(C)C c9d7db9ecc1a9edb37fe83cbc6e84e2b [1,1,0,0,0,0|1,0,1]=4 2368 B11R0.148 CC(C)CCCCCOCC=O 390c9abe458938127a14ae4ddcd90aca [1,1,0,0,0,0|1,0,1]=4 2369 B11R0.148 CCCCCCCOCC(=O)C dc592c317774d5dcca7353cd0379c413 [1,1,0,0,0,0|0,0,2]=4 2370 B11R0.148 CCCCCCCOCC(=O)N e5e33b5f144e3b12955641244340651b [1,1,0,0,0,0|1,0,1]=4 2371 B11R0.148 CCCCCCCOCC(=O)O 2e9c1bc97c278d8f4eec0fc057b4f886 [1,1,0,0,0,0|1,0,1]=4 2372 B11R0.148 CCCCCCCOCC(=S)N ea69c6884831d0bc2d9a37abf4288eb5 [1,1,0,0,0,0|1,0,1]=4 2373 B11R0.11 C=CCCC(=O)N(C)CCCC d2566610be7498135a82e904540aa0ec [1,1,0,0,0,0|2,0,0]=4 2374 B11R0.11 C=CCNC(=O)C(C)NCCC 1f479a64a002f54620c4a208da0906c2 [1,1,0,0,0,0|2,0,0]=4 2375 B11R0.11 C=CCNC(=O)C(C)OCCC 72fd6284edc2f1d169d5641db6b0a928 [1,1,0,0,0,0|2,0,0]=4 2376 B11R0.11 C=CCOC(=O)[C@H](C)NCCC 8833bf154d9143ad1961ec58d4144120 [1,1,0,0,0,0|1,0,0]=3 2377 B11R0.11 C=CCOC(=O)[C@H](C)NCCF d074d44e6820fa6392ce52610b99e41f [1,1,0,0,0,0|2,0,0]=4 2378 B11R0.11 C=CCOC(=O)[C@H](C)NCCO 002df57037ce49e39b9d66a8697d334d [1,1,0,0,0,0|2,0,0]=4 2379 B11R0.11 C=CCOC(=O)[C@H](C)NCCS d2d2e0a9b7563cf1c0ca503b2a0cf2b0 [1,1,0,0,0,0|2,0,0]=4 2380 B11R0.11 C=CCOC(=O)[C@H](C)NCOC e230b20c3c8b3020ad8762da4dfd8fcd [1,1,0,0,0,0|2,0,0]=4 2381 B11R0.11 C=CCOC(=O)[C@H](C)NCSC abfc667c0ff0c2d6883b9894ea2ee524 [1,1,0,0,0,0|2,0,0]=4 2382 B11R0.46 C=C(Br)CNC(=O)CCCCC 892237aaa8c8d47c74c4ae35215a799f [1,1,0,0,0,0|1,0,0]=3 2383 B11R0.46 C=C(Br)CNC(=O)CCCCF 593fccf700429b57367414f084a002c8 [1,1,0,0,0,0|2,0,0]=4 2384 B11R0.46 C=C(Br)CNC(=O)CCCCO 4c257c2110b80a75711254797066eed7 [1,1,0,0,0,0|2,0,0]=4 2385 B11R0.46 C=C(Br)CNC(=O)CCCCS c9ebe3149e8153adc358dc07a53abc09 [1,1,0,0,0,0|2,0,0]=4 2386 B11R0.46 C=C(Br)CNC(=O)CCCOC 4b7473723003c4e20261e2365e97067a [1,1,0,0,0,0|2,0,0]=4 2387 B11R0.46 C=C(Br)CNC(=O)CCCSC e77d790c7b04055680cc91bf94300d0a [1,1,0,0,0,0|2,0,0]=4 2388 B11R0.46 C=C(Br)CNC(=O)CCOCC 674ec3bf0a8b358bec7496b53e14c8cf [1,1,0,0,0,0|2,0,0]=4 2389 B11R0.46 C=C(Br)CNC(=O)CCSCC 830caa706f9aeddffc8485f8e92fabec [1,1,0,0,0,0|2,0,0]=4 2390 B11R0.46 C=C(Br)CNC(=O)COCCC f6830781fb554d46d43a01b6dfcbe62d [1,1,0,0,0,0|2,0,0]=4 2391 B11R0.46 C=C(Br)CNC(=O)CSCCC 36f1b868a6903a545c0deb9a921186d1 [1,1,0,0,0,0|2,0,0]=4 2392 B11R0.46 C=C(Br)CNC(=O)NCCCC 3cc9fda929dfdf22124a502861196408 [1,1,0,0,0,0|2,0,0]=4 2393 B11R0.46 C=C(Br)COC(C)CCCCC ff5f5b4e95e69f787ccfa4a4a6733cf3 [1,1,0,0,0,0|1,0,1]=4 2394 B11R0.46 C=C(Br)CO[C@@H](C)CCCCC d2ff36dc8afca7ad0cacb01072911908 [1,1,0,0,0,0|1,0,1]=4 2395 B11R0.46 C=C(Br)CO[C@H](C)CCCCC ec7f7641dab9b934795bd0cd30adaaf6 [1,1,0,0,0,0|1,0,1]=4 2396 B11R0.46 C=C(C)CCC(=O)NCCCC faff7cdad66f11b901eb6b2a646c3f27 [1,1,0,0,0,0|2,0,0]=4 2397 B11R0.46 C=C(C)CNC(=O)CCCCC 3b2a207aa10a164b6be1cbe722afd767 [1,1,0,0,0,0|1,0,0]=3 2398 B11R0.46 C=C(C)CNC(=O)CCCCF 7b8146e6a0f611dafeb259d9e281ae6c [1,1,0,0,0,0|2,0,0]=4 2399 B11R0.46 C=C(C)CNC(=O)CCCCO f48cbb486d6da7a7608d41cfcb82bfd7 [1,1,0,0,0,0|2,0,0]=4 2400 B11R0.46 C=C(C)CNC(=O)CCCCS 2cd7a60f58b3fab09c5c557c148191f8 [1,1,0,0,0,0|2,0,0]=4 2401 B11R0.46 C=C(C)CNC(=O)CCCOC 1e84469d24c23ec6b9d1d96ba260b803 [1,1,0,0,0,0|2,0,0]=4 2402 B11R0.46 C=C(C)CNC(=O)CCCSC 3bc5c94bb37d1ac066d544287f2b0f3c [1,1,0,0,0,0|2,0,0]=4 2403 B11R0.46 C=C(C)CNC(=O)CCOCC d48fa6e90b1ca9d7a12460de844ed2c0 [1,1,0,0,0,0|2,0,0]=4 2404 B11R0.46 C=C(C)CNC(=O)CCSCC 47b2af03349b04e03bf0314e04980537 [1,1,0,0,0,0|2,0,0]=4 2405 B11R0.46 C=C(C)CNC(=O)COCCC 26f3741b77cec1ff5f1ce820e0843873 [1,1,0,0,0,0|2,0,0]=4 2406 B11R0.46 C=C(C)CNC(=O)CSCCC 4d89c50c8c8900ebb325ac75b203c01b [1,1,0,0,0,0|2,0,0]=4 2407 B11R0.46 C=C(C)CNC(=O)NCCCC 2a3308f37f044de607ed4afbd29cc354 [1,1,0,0,0,0|2,0,0]=4 2408 B11R0.46 C=C(C)COC(C)CCCCC 5f71ffe34a8da49aa1b10660377a3a7b [1,1,0,0,0,0|1,0,1]=4 2409 B11R0.46 C=C(C)CO[C@@H](C)CCCCC 029736e522b1ff54daf75ccd32dc7b1c [1,1,0,0,0,0|1,0,1]=4 2410 B11R0.46 C=C(C)CO[C@H](C)CCCCC 9a8fd0300f8e5446c2402737d59be034 [1,1,0,0,0,0|1,0,1]=4 2411 B11R0.46 C=C(Cl)COC(C)CCCCC 8842d65b3c617a0a1b56bbecd4b06cbd [1,1,0,0,0,0|1,0,1]=4 2412 B11R0.46 C=C(Cl)CO[C@@H](C)CCCCC 22144338dba876097fa4ce528be51f8e [1,1,0,0,0,0|1,0,1]=4 2413 B11R0.46 C=C(Cl)CO[C@H](C)CCCCC 9402aa1edfa2a0ed89430945a4728279 [1,1,0,0,0,0|1,0,1]=4 2414 B11R0.46 C=C(I)COC(C)CCCCC 2c9c0e24897fe55e0d4305990b03a6fc [1,1,0,0,0,0|1,0,1]=4 2415 B11R0.46 C=C(I)CO[C@@H](C)CCCCC 511754d06f56ba15f39a34e06ec10182 [1,1,0,0,0,0|1,0,1]=4 2416 B11R0.46 CCCCCC(=O)NCC(=O)C af3e7d92608982622598a3f3607f3171 [1,1,0,0,0,0|1,0,1]=4 2417 B11R0.46 CCCCCC(=O)NCC(=O)N 4521510cb11ba808a1551dcba164917e [1,1,0,0,0,0|2,0,0]=4 2418 B11R0.70 C=CCCC(=O)NCC(C)CC c847d74ef6ce42d921f8f213df56b438 [1,1,0,0,0,0|2,0,0]=4 2419 B11R0.70 C=CCCC(=O)NCC(O)CC 1d5177ed0a0bff679820c648ae58339d [1,1,0,0,0,0|2,0,0]=4 2420 B11R0.70 C=CCCC(=O)NC[C@@H](C)CC 4ac27dbd942b4c6cee6ab339ca0e4ae5 [1,1,0,0,0,0|2,0,0]=4 2421 B11R0.70 C=CCCC(=O)NC[C@H](O)CC c17578819ea2a6da9ecfde555f33b69f [1,1,0,0,0,0|2,0,0]=4 2422 B11R0.70 C=CCNC(=O)CCN(C)CC 23f67df46068554a4518639084b7f132 [1,1,0,0,0,0|2,0,0]=4 2423 B11R0.70 C=CCNC(=O)CNC(C)CC 646339ae94a2ec9d4026251dc59c1bf1 [1,1,0,0,0,0|2,0,0]=4 2424 B11R0.70 C=CCNC(=O)CN[C@@H](C)CC a40f693da11fa40239d985c3e28fe895 [1,1,0,0,0,0|2,0,0]=4 2425 B11R0.70 C=CCNC(=O)CN[C@H](C)CC a3bca44e0a9f456683c1a17896f0811a [1,1,0,0,0,0|2,0,0]=4 2426 B11R0.70 C=CCNC(=O)COC(C)CC cfcf3e156d74354e2717b6d81bd38bc5 [1,1,0,0,0,0|2,0,0]=4 2427 B11R0.70 C=CCNC(=O)CO[C@@H](C)CC 3a3add12b39f336c1a6e2ab13eef7e46 [1,1,0,0,0,0|2,0,0]=4 2428 B11R0.70 C=CCNC(=O)CO[C@H](C)CC ff72e0fa83e896a27dcbb3da725617aa [1,1,0,0,0,0|2,0,0]=4 2429 B11R0.70 C=CCOC(=O)CNC(C)CC 798d824391b6ef9e1e3ffe9611d68467 [1,1,0,0,0,0|1,0,0]=3 2430 B11R0.70 C=CCOC(=O)CNC(C)CO fa9839c8b1725629e0701ac7d9bcef07 [1,1,0,0,0,0|2,0,0]=4 2431 B11R0.70 C=CCOC(=O)CN[C@@H](C)CC f8f513429c31695b26e22679d6ff082f [1,1,0,0,0,0|1,0,0]=3 2432 B11R0.70 C=CCOC(=O)CN[C@@H](C)CO b01357210867052762debf777f18b8ef [1,1,0,0,0,0|2,0,0]=4 2433 B11R0.70 C=CCOC(=O)CN[C@H](C)CC c411660cc2fa90ce5a6b5fb47adae7c7 [1,1,0,0,0,0|1,0,0]=3 2434 B11R0.70 C=CCOC(=O)CN[C@H](C)CO 79261ab0c61df59b8c514a42f445529e [1,1,0,0,0,0|2,0,0]=4 2435 B11R0.70 C=CCOC(=O)COC(C)CC 1e479d00923367169d9641286d1fa451 [1,1,0,0,0,0|1,0,0]=3 2436 B11R0.70 C=CCOC(=O)COC(C)CF d29941c0cb16fbede6144ca3bee610a5 [1,1,0,0,0,0|2,0,0]=4 2437 B11R0.70 C=CCOC(=O)COC(C)CS dc40d59543caa2bd9f98fccdb3036323 [1,1,0,0,0,0|2,0,0]=4 2438 B11R0.70 C=CCOC(=O)CO[C@@H](C)CC a48b99e461ec3d4bbb94421243428da4 [1,1,0,0,0,0|1,0,0]=3 2439 B11R0.70 C=CCOC(=O)CO[C@H](C)CC e29f7e96780b900c2d419a97f218dc40 [1,1,0,0,0,0|1,0,0]=3 2440 B11R0.70 C=CCOC(=O)CO[C@H](C)CS e6bb484679a43ebb2527b5f84e2256f3 [1,1,0,0,0,0|2,0,0]=4 2441 B11R0.70 C=CCOC(C)CCC(C)CC 4cbda112efc27fc112e677c247b6ba70 [1,1,0,0,0,0|1,0,1]=4 2442 B11R0.147 C=CCCC(=O)NCCC(C)C b09615f436431e8522128794e34cf0cd [1,1,0,0,0,0|2,0,0]=4 2443 B11R0.147 C=CCCC(=O)NCCC(C)O 62b6772b606169a8b0831bc96d79310a [1,1,0,0,0,0|2,0,0]=4 2444 B11R0.147 C=CCCC(=O)NCC[C@@H](C)O 7e680854fd0b8bb1b8208af0e6dafca5 [1,1,0,0,0,0|2,0,0]=4 2445 B11R0.147 C=CCCC(=O)NCC[C@H](C)O 3603441d4ea3977f99b0e6d8b6b243b0 [1,1,0,0,0,0|2,0,0]=4 2446 B11R0.147 C=CCNC(=O)CCOC(C)C 92dd14dfdb11047aec2d9c155b1d67c3 [1,1,0,0,0,0|2,0,0]=4 2447 B11R0.147 C=CCNC(=O)CNCC(C)C 555e046f1aa87f549fdb4dcd3d5d821d [1,1,0,0,0,0|2,0,0]=4 2448 B11R0.147 C=CCNC(=O)CNCC(C)O 1738c4ea91a2c63d20cce9062c22cca5 [1,1,0,0,0,0|2,0,0]=4 2449 B11R0.147 C=CCNC(=O)CNC[C@@H](C)O 83826eaa98e57c435cc664a68aed0b7d [1,1,0,0,0,0|2,0,0]=4 2450 B11R0.147 C=CCNC(=O)CNC[C@H](C)O 7966cf7a8344308ce1a8530e9a747ee0 [1,1,0,0,0,0|2,0,0]=4 2451 B11R0.147 C=CCNC(=O)COCC(C)C 66b64992877716d9de42207d5c971479 [1,1,0,0,0,0|2,0,0]=4 2452 B11R0.147 C=CCNC(=O)COCC(C)F d2a3e9c6c6cb4786e38508baccf875f5 [1,1,0,0,0,0|2,0,0]=4 2453 B11R0.147 C=CCNC(=O)COCC(C)S 2e191be4684dc0d8d56ec9be6c77440c [1,1,0,0,0,0|2,0,0]=4 2454 B11R0.147 C=CCNC(=O)COC[C@@H](C)F 2240293cead8a8ff6387c681e29ca5d4 [1,1,0,0,0,0|2,0,0]=4 2455 B11R0.147 C=CCNC(=O)COC[C@H](C)F 04481293d14e70fd49579aa36f30e5ea [1,1,0,0,0,0|2,0,0]=4 2456 B11R0.147 C=CCOC(=O)CNCC(=C)C 9c268efd6fb924556936eae1c6a2dff8 [1,1,0,0,0,0|1,0,1]=4 2457 B11R0.147 C=CCOC(=O)CNCC(=O)C 4c6300c74b93eb7c53f3e060187016dc [1,1,0,0,0,0|1,0,1]=4 2458 B11R0.147 C=CCOC(=O)CNCC(C)C 74ebb3ce0e44e8ce5d6940b3d3885064 [1,1,0,0,0,0|1,0,0]=3 2459 B11R0.147 C=CCOC(=O)CNCC(C)O d01b24aa18b9f451fe48802b635696dc [1,1,0,0,0,0|1,0,0]=3 2460 B11R0.147 C=CCOC(=O)CNCC(F)F 9d1cfb21c5f78d78c1a408fa9a9b7d02 [1,1,0,0,0,0|2,0,0]=4 2461 B11R0.147 C=CCOC(=O)CNC[C@@H](C)O 4cd52b23c3983b6566f50a6aba2852e5 [1,1,0,0,0,0|1,0,0]=3 2462 B11R0.147 C=CCOC(=O)CNC[C@H](C)O 0f8f807a60125d1e65a267ede4cb96d7 [1,1,0,0,0,0|1,0,0]=3 2463 B11R0.147 C=CCOC(=O)COCC(=C)C 9ce48d0764079d65f73a705343bdf251 [1,1,0,0,0,0|1,0,1]=4 2464 B11R0.147 C=CCOC(=O)COCC(=O)C ab3ee4e9905bb5b9a401b491017cce0b [1,1,0,0,0,0|1,0,1]=4 2465 B11R0.147 C=CCOC(=O)COCC(C)C 46d4c792eaa09198c8d70d764a4f685f [1,1,0,0,0,0|1,0,0]=3 2466 B11R0.147 C=CCOC(=O)COCC(C)F 24bd6f4dea699db7e7d22785226e0d5e [1,1,0,0,0,0|1,0,0]=3 2467 B11R0.147 C=CCOC(=O)COCC(C)S f76e83e11a1ccdc837f61757d465956b [1,1,0,0,0,0|1,0,0]=3 2468 B11R0.147 C=CCOC(=O)COCC(F)F d167971c090e0f76dca690f3aa1d164a [1,1,0,0,0,0|2,0,0]=4 2469 B11R0.147 C=CCOC(=O)COC[C@@H](C)F 0e1e003ffb8d9346ff20e6f6e4188779 [1,1,0,0,0,0|1,0,0]=3 2470 B11R0.147 C=CCOC(=O)COC[C@H](C)F 3b2b0a414f9cff453b5c86877a87a9d7 [1,1,0,0,0,0|1,0,0]=3 2471 B11R0.147 C=CCOC(C)CCCC(C)C faa099965c644e86fcfe7215186417da [1,1,0,0,0,0|1,0,1]=4 2472 B11R0.152 C#CC(CCCCC)OCC=C 8210e70819d49f1e0f83c2b1a48b0f5c [1,1,0,0,0,0|1,0,1]=4 2473 B11R0.152 C#C[C@H](CCCCC)OCC=C e00a6cd0226d098d187d7b83eb5312d4 [1,1,0,0,0,0|1,0,1]=4 2474 B11R0.152 C=CCOC(C=C)CCCCC 28f094d851e2f8edbc9fb7f3daab0322 [1,1,0,0,0,0|1,0,1]=4 2475 B11R0.152 C=CCOC(CC)CCCCC acd8d4638b0ef4dfb8a71a9a4d662bad [1,1,0,0,0,0|1,0,1]=4 2476 B11R0.152 C=CCO[C@@H](CC)CCCCC d58892f86efe28ea2646afa52a04bb6a [1,1,0,0,0,0|1,0,1]=4 2477 B11R0.152 C=CCO[C@H](C=C)CCCCC f18c4a73f7890c9df984fb47b0ab11b4 [1,1,0,0,0,0|1,0,1]=4 2478 B11R0.154 C=CC(C)CC(=O)NCCCC f4f9b013b929ec1f8c72bfea17a299d3 [1,1,0,0,0,0|2,0,0]=4 2479 B11R0.154 C=CC(C)NC(=O)CCCCC b868782804cb2797fc7ff5fcf4d323cf [1,1,0,0,0,0|1,0,0]=3 2480 B11R0.154 C=CC(C)NC(=O)CCCCF 7ce9d03fbc4f538c17c2af8a29f6bf4a [1,1,0,0,0,0|2,0,0]=4 2481 B11R0.154 C=CC(C)NC(=O)CCCCO 96d34369b543839dfcd1c1c6ce06a3e4 [1,1,0,0,0,0|2,0,0]=4 2482 B11R0.154 C=CC(C)NC(=O)CCCCS 7665e18d08d300341a5167f4edbbd2ea [1,1,0,0,0,0|2,0,0]=4 2483 B11R0.154 C=CC(C)NC(=O)CCCOC 21064b27b5fd84fcf93e9e8daf775375 [1,1,0,0,0,0|2,0,0]=4 2484 B11R0.154 C=CC(C)NC(=O)CCCSC 1e8020b723e54ab78c7b0989fba6e5c3 [1,1,0,0,0,0|2,0,0]=4 2485 B11R0.154 C=CC(C)NC(=O)CCOCC f68e48a082ec54de7d075d57f4a85b0c [1,1,0,0,0,0|2,0,0]=4 2486 B11R0.154 C=CC(C)NC(=O)CCSCC e13236d2f71cf549b68e0ae4bb636138 [1,1,0,0,0,0|2,0,0]=4 2487 B11R0.154 C=CC(C)NC(=O)COCCC 8914dd8977be03fd493aab4feb28a724 [1,1,0,0,0,0|2,0,0]=4 2488 B11R0.154 C=CC(C)NC(=O)CSCCC a3a57e3e79f88f44ae566d5e385ec7f8 [1,1,0,0,0,0|2,0,0]=4 2489 B11R0.154 C=CC(C)NC(=O)NCCCC 1d466815d72d16c720438bc25d59befb [1,1,0,0,0,0|2,0,0]=4 2490 B11R0.154 C=CC(C)OC(C)CCCCC d476d9d7606071fd2a8920bf237c8e32 [1,1,0,0,0,0|1,0,1]=4 2491 B11R0.154 C=CC(C)O[C@@H](C)CCCCC aeea3dfcd3154f7af3282a4b9fb3364a [1,1,0,0,0,0|1,0,1]=4 2492 B11R0.154 C=CC(C)O[C@H](C)CCCCC 0fa3021b96c58cac7d725fe7e8ed1f92 [1,1,0,0,0,0|1,0,1]=4 2493 B11R0.154 C=C[C@H](C)OC(C)CCCCC e34c0c6ef7f2c53b1a792a262ba316ee [1,1,0,0,0,0|1,0,1]=4 2494 B11R0.154 C=C[C@H](C)O[C@@H](C)CCCCC 4cbd8a393b7b86ce8d5217869af53aa3 [1,1,0,0,0,0|1,0,1]=4 2495 B13R0.1 C=C(Br)CNCC(=O)NCCCCC bff7b504290a1b888b4227f661b509b1 [0,2,0,0,0,0|2,0,0]=4 2496 B13R0.1 C=C(Br)COCC(=O)NCCCCC d6e40965623d45aaad24c3370a30f64f [0,2,0,0,0,0|1,0,0]=3 2497 B13R0.1 C=C(Br)COCC(=O)NCCOCC 7eb91f1209ce22e0fa13735274b003a3 [0,2,0,0,0,0|2,0,0]=4 2498 B13R0.1 C=C(Br)COCC(=O)OCCOCC 52caeaa75dfef90ef93048fbf7c3eac4 [0,2,0,0,0,0|2,0,0]=4 2499 B13R0.1 C=C(Br)COCC(C)CCCCCC 5902261a71c674932e09c3afb883406b [0,2,0,0,0,0|1,0,1]=4 2500 B13R0.1 C=C(C)CCCC(=O)NCCCCC 59bdf5c185e15a8ca5476e8e02016ae6 [0,2,0,0,0,0|2,0,0]=4 2501 B13R0.1 C=C(C)CCNC(=O)CCCCCC be05e2c06298996b12e588a0a58c1b0e [0,2,0,0,0,0|1,0,0]=3 2502 B13R0.1 C=C(C)CCNC(=O)CCCCCF b842e64772d194f3eddd7dc4945c2ae2 [0,2,0,0,0,0|2,0,0]=4 2503 B13R0.1 C=C(C)CCNC(=O)CCCCCO b13b6a670e817de88a33ee8e5a4cec26 [0,2,0,0,0,0|2,0,0]=4 2504 B13R0.1 C=C(C)CCNC(=O)CCCCCS 75e002fcd7a4ecef24aa255b5f5faf31 [0,2,0,0,0,0|2,0,0]=4 2505 B13R0.1 C=C(C)CCNC(=O)CCOCCC fc3debd76d72d220d5b013f6c9fbb361 [0,2,0,0,0,0|2,0,0]=4 2506 B13R0.1 C=C(C)CCNC(=O)COCCCC 77e1010bf6d68bb71ff754189ab901e4 [0,2,0,0,0,0|2,0,0]=4 2507 B13R0.1 C=C(C)CCNC(=O)CSCCCC f3ac0156d6ef84fd1b3babefed16b3a9 [0,2,0,0,0,0|2,0,0]=4 2508 B13R0.1 C=C(C)CCNC(=O)NCCCCC 28dcf12839c5c25339eddbf759825c39 [0,2,0,0,0,0|2,0,0]=4 2509 B13R0.1 C=C(C)CCOC(C)CCCCCC f307f70ccccfe20dbdc9801dfe79d72e [0,2,0,0,0,0|1,0,1]=4 2510 B13R0.1 C=C(C)CCO[C@@H](C)CCCCCC c0e079b5538ef1dc99e773b9e26b1970 [0,2,0,0,0,0|1,0,1]=4 2511 B13R0.1 C=C(C)CCO[C@H](C)CCCCCC 059691b0239641ee8765214e8106cb64 [0,2,0,0,0,0|1,0,1]=4 2512 B13R0.1 C=C(C)CNCC(=O)NCCCCC 57c4881652f737b49c06b801ad5f633f [0,2,0,0,0,0|2,0,0]=4 2513 B13R0.1 C=C(C)COCC(=O)NCCCCC 4da0ff86aadb29d90e3d3f90e28cecd4 [0,2,0,0,0,0|1,0,0]=3 2514 B13R0.1 C=C(C)COCC(=O)NCCOCC 1e47e3bb887c9ec72125904d9b0f01cb [0,2,0,0,0,0|2,0,0]=4 2515 B13R0.1 C=C(C)COCC(=O)OCCOCC b8ce6b52e5564d0a75eff55994e5aa4e [0,2,0,0,0,0|2,0,0]=4 2516 B13R0.1 C=C(C)COCC(C)CCCCCC fc222ab0dd526b6bb1a423e3ff85634d [0,2,0,0,0,0|1,0,1]=4 2517 B13R0.1 C=C(Cl)COCC(=O)NCCCCC 470913e1c1032478ad8f3dcff2325950 [0,2,0,0,0,0|1,0,0]=3 2518 B13R0.1 C=C(Cl)COCC(=O)NCCOCC b2c4928dc0d8f67a3f9054f3f5932ef3 [0,2,0,0,0,0|2,0,0]=4 2519 B13R0.1 C=C(Cl)COCC(=O)OCCOCC 3defe14ff2a624ea94bc724481895417 [0,2,0,0,0,0|2,0,0]=4 2520 B13R0.1 C=C(Cl)COCC(C)CCCCCC 9641805a54d457aa63213af3699aa7d2 [0,2,0,0,0,0|1,0,1]=4 2521 B13R0.1 C=C(F)COCC(=O)NCCCCC 902477ed3cd5fc77cf692d09fab59018 [0,2,0,0,0,0|1,0,0]=3 2522 B13R0.1 C=C(F)COCC(=O)OCCOCC 65fdff636ded0d67ef2743d32f17e3f1 [0,2,0,0,0,0|2,0,0]=4 2523 B13R0.1 C=C(F)COCC(C)CCCCCC 982ce189d8ea143f7053ee649174b920 [0,2,0,0,0,0|1,0,1]=4 2524 B13R0.1 C=C(I)COCC(=O)NCCCCC 168c56959d32c4f80aa35847a9dc4371 [0,2,0,0,0,0|1,0,0]=3 2525 B13R0.1 C=C(I)COCC(=O)NCCOCC 425c949f8a644a2faebba58579cb8e0c [0,2,0,0,0,0|2,0,0]=4 2526 B13R0.1 C=C(I)COCC(=O)OCCOCC d7f0a18ef4af393e2976e73828401694 [0,2,0,0,0,0|2,0,0]=4 2527 B13R0.1 CC(=CCNC(=O)CCCCCF)C 01f50436420c711573aa13d5699fdae4 [0,2,0,0,0,0|2,0,0]=4 2528 B13R0.1 CC(=CCNC(=O)CCCCCO)C a0b7094e76ab2a0ecf3ebaddc674de66 [0,2,0,0,0,0|2,0,0]=4 2529 B13R0.1 CC(=CCNC(=O)CCCCCS)C 5726873ce87411cb10e6d95473e2b701 [0,2,0,0,0,0|2,0,0]=4 2530 B13R0.1 CCCCCCC(=O)NCC=C(C)C 93dc5d07b7df9b0b840a534d56119121 [0,2,0,0,0,0|1,0,0]=3 2531 B13R0.1 CCCCCCC(=O)NCCC(=O)N 49269a2ffcba2ea0c46dc2bfbbddb2e5 [0,2,0,0,0,0|1,0,1]=4 2532 B13R0.1 CCCCCCC(=O)NCCC(=S)N 27858bd3c0e8bf5571ea0836778ff319 [0,2,0,0,0,0|1,0,1]=4 2533 B13R0.1 CCCCCCC(C)OC/C=C(/C)\Cl 9991291f1d77ecfdbf9fd32a658e4ae9 [0,2,0,0,0,0|1,0,1]=4 2534 B13R0.1 CCCCCCC(C)OC/C=C(/C)\I 3fb8ff4a9f21100f58862f5f3ebe3a72 [0,2,0,0,0,0|1,0,1]=4 2535 B13R0.1 CCCCCCC(C)OC/C=C(\C)/Cl 7fccdbe56ef167388e8d25e90cd369bf [0,2,0,0,0,0|1,0,1]=4 2536 B13R0.1 CCCCCCC(C)OCC=C(C)C 2beff30a87b9f71ed327c58888ab489d [0,2,0,0,0,0|1,0,1]=4 2537 B13R0.1 CCCCCCC(C)OCC=C(C)Cl f27c0edc1d99e845793d1ce54d67834f [0,2,0,0,0,0|1,0,1]=4 2538 B13R0.1 CCCCCCC(C)OCC=C(C)I 65263f7a491806f0d57215e3b48b24c8 [0,2,0,0,0,0|1,0,1]=4 2539 B13R0.1 CCCCCCC(C)OCC=C(Cl)Cl aac54ccec6940ae0a88a650a2c73a6db [0,2,0,0,0,0|1,0,1]=4 2540 B13R0.1 CCCCCC[C@@H](C)OC/C=C(/C)\I 4e799ecc4724c1f277c8daa2a8f3bf51 [0,2,0,0,0,0|1,0,1]=4 2541 B13R0.1 CCCCCC[C@@H](C)OC/C=C(\C)/Cl 5c9dd6336bf22d55ec333d4dbbbc5661 [0,2,0,0,0,0|1,0,1]=4 2542 B13R0.1 CCCCCC[C@@H](C)OCC=C(C)C 7b90ce5eb1afb15cfaae885bdc4be41f [0,2,0,0,0,0|1,0,1]=4 2543 B13R0.1 CCCCCC[C@@H](C)OCC=C(C)Cl f116668e6ee0ab18aa9720b30c12203e [0,2,0,0,0,0|1,0,1]=4 2544 B13R0.1 CCCCCC[C@@H](C)OCC=C(C)I aef8c53c95c5b1ad1d1f50ea06db89e7 [0,2,0,0,0,0|1,0,1]=4 2545 B13R0.1 CCCCCC[C@@H](C)OCC=C(Cl)Cl c5e611c7cfa35c21274920d74712250b [0,2,0,0,0,0|1,0,1]=4 2546 B13R0.1 CCCCCC[C@H](C)OC/C=C(/C)\I e565b19ed3b11a7ef7fa291d697e9f0c [0,2,0,0,0,0|1,0,1]=4 2547 B13R0.1 CCCCCC[C@H](C)OC/C=C(\C)/Cl ac46da78aaa402cb81bc0b32fd8e7b8a [0,2,0,0,0,0|1,0,1]=4 2548 B13R0.1 CCCCCC[C@H](C)OCC=C(C)C a985f23ba284413990f8010c47ae5e15 [0,2,0,0,0,0|1,0,1]=4 2549 B13R0.1 CCCCCC[C@H](C)OCC=C(C)Cl 7b82146b66c40acd0054b7dec37a1693 [0,2,0,0,0,0|1,0,1]=4 2550 B13R0.1 CCCCCC[C@H](C)OCC=C(C)I e1734ecf19ef08ac47cd7c016496bf47 [0,2,0,0,0,0|1,0,1]=4 2551 B13R0.1 CCCCCC[C@H](C)OCC=C(Cl)Cl 2601a8b992e025e83ca40689b09c8f8b [0,2,0,0,0,0|1,0,1]=4 2552 B13R0.1 CCCCCNC(=O)CCC=C(C)C 00fc0e4e8bbd9396eadae3803639768a [0,2,0,0,0,0|2,0,0]=4 2553 B13R0.1 CCCCCNC(=O)COCC(=O)C 5194bff74f82e1771cc8e2a5b2bbed4f [0,2,0,0,0,0|1,0,1]=4 2554 B13R0.1 CCCCCNC(=O)COCC(=O)N 075f8775f2f61e7b4414f98f8c8fa2cb [0,2,0,0,0,0|2,0,0]=4 2555 B13R0.1 CCCCCNC(=O)NCC=C(C)C 270cf4717c9d84b29e3461e2c656becf [0,2,0,0,0,0|2,0,0]=4 2556 B13R0.1 CCCCOCC(=O)NCC=C(C)C 29280da21ffd85d72e3340c2b7e7ffe3 [0,2,0,0,0,0|2,0,0]=4 2557 B13R0.1 CCCCSCC(=O)NCC=C(C)C f559c383938a285d84ce6743ae9d6d5d [0,2,0,0,0,0|2,0,0]=4 2558 B13R0.1 CCCOCCC(=O)NCC=C(C)C 8c11e70ed1dba0743e6667cfdebe7501 [0,2,0,0,0,0|2,0,0]=4 2559 B13R0.165 C/C=C/CCCC(=O)NCCCCC 06bada61a386143faa5e652d451887de [0,2,0,0,0,0|2,0,0]=4 2560 B13R0.165 C/C=C/CCOC(C)CCCCCC b6fc49e383048f789b54909a42409710 [0,2,0,0,0,0|1,0,1]=4 2561 B13R0.165 C/C=C/COCC(=O)NCCCCC bf0a769a60dab38662a935524cc8e7a9 [0,2,0,0,0,0|1,0,0]=3 2562 B13R0.165 C/C=C/COCC(=O)NCCOCC 08ede9f837da7cd2b4099d7bcb264e0b [0,2,0,0,0,0|2,0,0]=4 2563 B13R0.165 C/C=C/COCC(=O)OCCOCC 130ef808075fd5e44e08ba6ad0d43852 [0,2,0,0,0,0|2,0,0]=4 2564 B13R0.165 C/C=C/COCC(C)CCCCCC 068565b76b779b9db6e856b65ff4425f [0,2,0,0,0,0|1,0,1]=4 2565 B13R0.165 C/C=C\COCC(=O)NCCCCC 955c9434ee18dac34a6c7dfa20195441 [0,2,0,0,0,0|1,0,0]=3 2566 B13R0.165 C/C=C\COCC(=O)NCCOCC 9abb263d03ce5b6f1d7674683678d47a [0,2,0,0,0,0|2,0,0]=4 2567 B13R0.165 C/C=C\COCC(=O)OCCOCC b8cb22d79b94a665758c051b0c91a27c [0,2,0,0,0,0|2,0,0]=4 2568 B13R0.165 C/C=C\COCC(C)CCCCCC 92cae9cb1877e8eb2f36a1bf366fb4bb [0,2,0,0,0,0|1,0,1]=4 2569 B13R0.165 C=C=CCCOC(C)CCCCCC 21fba7bdf63ae023bc9287cb8de24b4d [0,2,0,0,0,0|1,0,1]=4 2570 B13R0.165 C=CCCCCC(=O)NCCCCC 50a2b273345df336a5d4a61462128c3a [0,2,0,0,0,0|2,0,0]=4 2571 B13R0.165 C=CCCCNC(=O)CCCCCC 85318c72105acd8e232788a4e9676081 [0,2,0,0,0,0|1,0,0]=3 2572 B13R0.165 C=CCCCNC(=O)CCCCCF 899ea4b492d551f4e563793222dce78d [0,2,0,0,0,0|2,0,0]=4 2573 B13R0.165 C=CCCCNC(=O)CCCCCO 8d3e2f89a20e6367792142804eaf5992 [0,2,0,0,0,0|2,0,0]=4 2574 B13R0.165 C=CCCCNC(=O)CCCCCS 8a7da94da6e06ee605727c01f3e75748 [0,2,0,0,0,0|2,0,0]=4 2575 B13R0.165 C=CCCCNC(=O)CCOCCC 41c78f75751138d00edb38a03260618e [0,2,0,0,0,0|2,0,0]=4 2576 B13R0.165 C=CCCCNC(=O)COCCCC f6871b957dba8df73d7d49f108bce5bc [0,2,0,0,0,0|2,0,0]=4 2577 B13R0.165 C=CCCCNC(=O)CSCCCC c9c601245bbe4272880e8983d18ade19 [0,2,0,0,0,0|2,0,0]=4 2578 B13R0.165 C=CCCCNC(=O)NCCCCC 2cdc4baeb71696da30447eb4f472e6b8 [0,2,0,0,0,0|2,0,0]=4 2579 B13R0.165 C=CCCCOC(C)CCCCCC 3c39034564948df2d506e86895eb33a1 [0,2,0,0,0,0|1,0,1]=4 2580 B13R0.165 C=CCCCO[C@@H](C)CCCCCC 1bf08045cf72938f1325957f98b6efb5 [0,2,0,0,0,0|1,0,1]=4 2581 B13R0.165 C=CCCCO[C@H](C)CCCCCC 9182041424dc635a7807aca0336b6d7e [0,2,0,0,0,0|1,0,1]=4 2582 B13R0.165 C=CCCNCC(=O)NCCCCC 90826fa662f308e0cec8dca733bfbfa0 [0,2,0,0,0,0|2,0,0]=4 2583 B13R0.165 C=CCCOCC(=O)NCCCCC 22280f231596e3bbc489f658a046879d [0,2,0,0,0,0|1,0,0]=3 2584 B13R0.165 C=CCCOCC(=O)NCCOCC af88c2924cf5f05b2e9d411a0a701674 [0,2,0,0,0,0|2,0,0]=4 2585 B13R0.165 C=CCCOCC(=O)OCCOCC 7a62904c7d7573af06c9e25a4fd5c52d [0,2,0,0,0,0|2,0,0]=4 2586 B13R0.165 C=CCCOCC(C)CCCCCC 508dac409c3d32ddb548516e034eda58 [0,2,0,0,0,0|1,0,1]=4 2587 B13R0.165 C=CCCSCC(=O)NCCCCC 2dff09bf50d24bf1d404e98777d0fc70 [0,2,0,0,0,0|1,1,0]=4 2588 B13R0.165 C=CCOCCC(=O)NCCCCC 3d51b91cbc060225318838437c8b3b6b [0,2,0,0,0,0|1,0,0]=3 2589 B13R0.165 C=CCOCCC(=O)NCCCCCl 154573ada0b347fc03e586a73862dac5 [0,2,0,0,0,0|2,0,0]=4 2590 B13R0.165 C=CCOCCC(=O)NCCCCO 444662c098ac999fc7ad957bba31ce44 [0,2,0,0,0,0|2,0,0]=4 2591 B13R0.165 C=CCOCCC(=O)NCCCCS e96a991dc429fff20dfdf8f1a2666b91 [0,2,0,0,0,0|2,0,0]=4 2592 B13R0.165 C=CCOCCC(=O)NCCCOC cf0ac17cdde0eb194acaed9f99de6ec2 [0,2,0,0,0,0|2,0,0]=4 2593 B13R0.165 C=CCOCCC(=O)NCCCSC c6ddd712cfe47991435d2c7b4f86617c [0,2,0,0,0,0|2,0,0]=4 2594 B13R0.165 C=CCOCCC(=O)NCCOCC 0785e8b42bebae50eb4eae744f69bc13 [0,2,0,0,0,0|2,0,0]=4 2595 B13R0.165 C=CCOCCC(=O)NCCSCC 0724dc8248c4536ac7d2cdc37f3ffc7b [0,2,0,0,0,0|2,0,0]=4 2596 B13R0.165 C=CCOCCC(C)CCCCCC 336150f75ba352dd28011baf02dd6a72 [0,2,0,0,0,0|1,0,1]=4 2597 B13R0.165 C=CCOCCN(C)CCCCCC cae3333afb2ef8685403b6f99ce460a2 [0,2,0,0,0,0|2,0,0]=4 2598 B13R0.165 C=COCCNC(=O)CCCCCC aceb4e6bf7c00bfd6f907362d452af02 [0,2,0,0,0,0|1,0,0]=3 2599 B13R0.165 C=COCCNC(=O)CCCCCF 4b3758a3a61e9ec35142822e0e4eb4fe [0,2,0,0,0,0|2,0,0]=4 2600 B13R0.165 C=COCCNC(=O)CCCCCO c25282b427fbcd52987d00daca0f7acf [0,2,0,0,0,0|2,0,0]=4 2601 B13R0.165 C=COCCNC(=O)CCCCCS f705b8d75902cb074b68f36cb5dd13ea [0,2,0,0,0,0|2,0,0]=4 2602 B13R0.165 C=COCCNC(=O)CCOCCC fb5ddb8e777bcf801fcd810cdbe86c40 [0,2,0,0,0,0|2,0,0]=4 2603 B13R0.165 C=COCCNC(=O)COCCCC 68738cd73a3fc6915d4daac85612e4b8 [0,2,0,0,0,0|2,0,0]=4 2604 B13R0.165 C=COCCNC(=O)CSCCCC 3e3f28e2ab0db2bb7c43892644ccb6d1 [0,2,0,0,0,0|2,0,0]=4 2605 B13R0.165 C=COCCNC(=O)NCCCCC 6aa2a0cc5c56b25a881a12f736b52a83 [0,2,0,0,0,0|2,0,0]=4 2606 B13R0.165 C=COCCOC(C)CCCCCC 97ec8e89574f1ea643ba735802be43d4 [0,2,0,0,0,0|1,0,1]=4 2607 B13R0.165 CC/C=C/COC(C)CCCCCC 6bddbf1cf63d8b20b5b6591ccfe8a49f [0,2,0,0,0,0|1,0,1]=4 2608 B13R0.165 CC/C=C/CO[C@@H](C)CCCCCC 72ecb70408bb91e6badb10a5c84de719 [0,2,0,0,0,0|1,0,1]=4 2609 B13R0.165 CC/C=C/CO[C@H](C)CCCCCC 67bb5f824e6a5e09c924464beada90a6 [0,2,0,0,0,0|1,0,1]=4 2610 B13R0.165 CC/C=C\COC(C)CCCCCC a8a0308c0777559066097c3b958aaf92 [0,2,0,0,0,0|1,0,1]=4 2611 B13R0.165 CC=CCNCC(=O)NCCCCC 84c0b7c9728575e1dc873d8159542fcc [0,2,0,0,0,0|2,0,0]=4 2612 B13R0.165 CC=CCOCC(=O)NCCCCC dc1076aa5b6bc2923ee4b7185cafe132 [0,2,0,0,0,0|1,0,0]=3 2613 B13R0.165 CC=CCOCC(=O)NCCOCC 5cb448ac0d7a6e68fabc5e8f691f7df4 [0,2,0,0,0,0|2,0,0]=4 2614 B13R0.165 CC=CCOCC(=O)OCCOCC 040cf78a5aa2d041017ace3367f9ac13 [0,2,0,0,0,0|2,0,0]=4 2615 B13R0.165 CCCCCCC(C)COC/C=C/Cl 2c157b23e3facbc3ec04b2019ff2cc6c [0,2,0,0,0,0|1,0,1]=4 2616 B13R0.165 CCCCCCC(C)COC/C=C\Cl 40bdde19c461ba2567ffeaa5067f81e8 [0,2,0,0,0,0|1,0,1]=4 2617 B13R0.165 CCCCCCC(C)OC/C=C/C=O 8202ef89ed8967f10742d6b4fd4764df [0,2,0,0,0,0|1,0,1]=4 2618 B13R0.165 CCCCCCC(C)OCC=CC#N 21d5ac207c2e81026ae7b2642503d976 [0,2,0,0,0,0|1,0,1]=4 2619 B13R0.165 CCCCCC[C@@H](C)OCC=CC#N e5877d62a71bc56ca8b8e3c6e59f4c15 [0,2,0,0,0,0|1,0,1]=4 2620 B13R0.165 CCCCCC[C@H](C)OCC=CC#N e2d5f9a031d6884a84443f7eca47b311 [0,2,0,0,0,0|1,0,1]=4 2621 B13R0.165 CCCCCNC(=O)COC/C=C/Cl 8486274162c6164aa7e42218b4c570da [0,2,0,0,0,0|1,0,0]=3 2622 B13R0.165 CCCCCNC(=O)COCC=CCl c1ffa2663554264671dc69fb9e553179 [0,2,0,0,0,0|1,0,0]=3 2623 B13R0.165 CCCCCNC(=O)COCCC=O db1fe3f0d56805c5b8b9f93610e03694 [0,2,0,0,0,0|1,0,1]=4 2624 B13R0.165 CCOCCNC(=O)COC/C=C/Cl b0d84016ae33f43185a197aa65b568f7 [0,2,0,0,0,0|2,0,0]=4 2625 B13R0.165 CCOCCNC(=O)COCC=CCl 5046069341818b125bffc6caea56c848 [0,2,0,0,0,0|2,0,0]=4 2626 B13R0.165 CCOCCOC(=O)COC/C=C/Cl 49ea8e43da71bc9a9f93008ef1da78f7 [0,2,0,0,0,0|2,0,0]=4 2627 B13R0.165 CCOCCOC(=O)COCC=CCl 6fc48f3d4823e699ed7574bbf4a28c5b [0,2,0,0,0,0|2,0,0]=4 2628 B13R0.188 C=CCCCC(=O)NCCCC(C)C f0642b03984d3d8ed127fb40e128f1ce [0,2,0,0,0,0|2,0,0]=4 2629 B13R0.188 C=CCCNC(=O)CCCCC(=O)C 1dada92e61d5185b2a13e2b9b01302c1 [0,2,0,0,0,0|1,0,1]=4 2630 B13R0.188 C=CCCNC(=O)CCCCC(C)C f4f9391f42c4f8103cf56b424d7760ea [0,2,0,0,0,0|1,0,0]=3 2631 B13R0.188 C=CCCNC(=O)CCCCC(F)F 8ab583a4c1363529c9f742bd60194e0d [0,2,0,0,0,0|2,0,0]=4 2632 B13R0.188 C=CCCNC(=O)CCCCN(C)C 509aa2f6e0736a499c842bbceab0155d [0,2,0,0,0,0|2,0,0]=4 2633 B13R0.188 C=CCCNC(=O)CCCSC(C)C 47e8fa122db0ee19dd00a95f8c60084c [0,2,0,0,0,0|2,0,0]=4 2634 B13R0.188 C=CCCNC(=O)NCCCC(C)C 59624baa70ac07a64474d4be3c7245fb [0,2,0,0,0,0|2,0,0]=4 2635 B13R0.188 C=CCOCC(=O)NCCCC(C)C d6fe2f2c64b6a33836af1fd85c4a1692 [0,2,0,0,0,0|1,0,0]=3 2636 B13R0.188 C=CCOCC(=O)NCCCN(C)C 96f4734377ce491cb085a545211a0ccf [0,2,0,0,0,0|2,0,0]=4 2637 B13R0.188 C=CCOCC(=O)NCCCS(=O)C 24c98fe4d515488c93f680b23eb2e959 [0,2,0,0,0,0|2,0,0]=4 2638 B13R0.188 C=CCOCC(=O)NCCOC(C)C 46a119929cb745c1cc99aa89b852e2f3 [0,2,0,0,0,0|2,0,0]=4 2639 B13R0.188 C=CCSCC(=O)NCCCC(C)C 90afed802b39bfd3689b13c37b89cba8 [0,2,0,0,0,0|1,1,0]=4 2640 B13R0.188 CC=CCCC(=O)NCCCC(C)C 36fbc04326eef4993569e003cb9bed84 [0,2,0,0,0,0|2,0,0]=4 2641 B13R0.188 CC=CCNC(=O)CCCCC(=O)C ccc6dd3c865c32786a4b380d1be72754 [0,2,0,0,0,0|1,0,1]=4 2642 B13R0.188 CC=CCNC(=O)CCCCC(C)C 4247e5f8492e7741293b5386787e4c6f [0,2,0,0,0,0|1,0,0]=3 2643 B13R0.188 CC=CCNC(=O)CCCCC(F)F cb1ed89520cda12f5b0f4d3b893d8c46 [0,2,0,0,0,0|2,0,0]=4 2644 B13R0.188 CC=CCNC(=O)CCCCN(C)C ad003264c7d91d44b6369b5573caa140 [0,2,0,0,0,0|2,0,0]=4 2645 B13R0.188 CC=CCNC(=O)CCCSC(C)C 33a8eb6e8641a06470b5ecc88c6eb989 [0,2,0,0,0,0|2,0,0]=4 2646 B13R0.188 CC=CCNC(=O)NCCCC(C)C 18e4c24d51b945b2b9f879bc01767a5e [0,2,0,0,0,0|2,0,0]=4 2647 B13R0.193 C=CCCCC(=O)NCC(O)CCC d2cf3c24a71d0a6baa1d5650ae3b994e [0,2,0,0,0,0|2,0,0]=4 2648 B13R0.193 C=CCCNC(=O)CCC(=O)CCC 741f421ce373adbb5dee6af6f07302b6 [0,2,0,0,0,0|1,0,1]=4 2649 B13R0.193 C=CCCNC(=O)CC[C@H](C)CCC f40c14208b9596c1a1f347508b841baf [0,2,0,0,0,0|1,0,0]=3 2650 B13R0.193 C=CCCNC(=O)NCC(O)CCC 8ff0300c46eed961e52445b562f7edbc [0,2,0,0,0,0|2,0,0]=4 2651 B13R0.193 C=CCOCC(=O)NCC(C)CCO 43d10a693057b801ba77e0bb21f00759 [0,2,0,0,0,0|2,0,0]=4 2652 B13R0.193 C=CCOCC(=O)NCC(C)OCC 3f1a8da677435f80a5f663fd98f7c6cf [0,2,0,0,0,0|2,0,0]=4 2653 B13R0.193 C=CCOCC(=O)NCC(O)CCC b2fcf94e54365cfd3ce62d4943aacca6 [0,2,0,0,0,0|1,0,0]=3 2654 B13R0.193 C=CCOCC(=O)NCC(O)COC ba892eb6d3cd573a5cad4928db4457f2 [0,2,0,0,0,0|2,0,0]=4 2655 B13R0.193 C=CCOCC(=O)NC[C@H](O)COC 2125c8eff941575fe83e40b8cfa52e7d [0,2,0,0,0,0|2,0,0]=4 2656 B13R0.193 C=CCSCC(=O)NCC(O)CCC 16d5e7f4cfef0cdb74f459636c598615 [0,2,0,0,0,0|1,1,0]=4 2657 B13R0.193 CC=CCCC(=O)NCC(O)CCC fd5f846066e29f950bae63ced0e7901f [0,2,0,0,0,0|2,0,0]=4 2658 B13R0.193 CC=CCNC(=O)CCC(=O)CCC b48d0984842d08d323cb89f07970bbac [0,2,0,0,0,0|1,0,1]=4 2659 B13R0.193 CC=CCNC(=O)CC[C@H](C)CCC 3dec4ef3704dcf97b71229bfdde8a6ea [0,2,0,0,0,0|1,0,0]=3 2660 B13R0.193 CC=CCNC(=O)NCC(O)CCC 56c4e9f002c8c4dbce4fcad3643e383c [0,2,0,0,0,0|2,0,0]=4 2661 B13R0.194 C=CCCCC(=O)NCCC(C)CC 527a5e997d69bd2f76393e8d80674eee [0,2,0,0,0,0|2,0,0]=4 2662 B13R0.194 C=CCCNC(=O)CCCC(=O)CC 6d33a891abddcb7615250ad82090719a [0,2,0,0,0,0|1,0,1]=4 2663 B13R0.194 C=CCCNC(=O)CCCC(C)CC 8584f62f3b6933fe6bd9d96b6892c56d [0,2,0,0,0,0|1,0,0]=3 2664 B13R0.194 C=CCCNC(=O)CCCC(O)CO 7eb8aec83e8a339a30bd63d1cc84972b [0,2,0,0,0,0|2,0,0]=4 2665 B13R0.194 C=CCCNC(=O)NCCC(C)CC d58e24bd3399b942d23331580a1e7726 [0,2,0,0,0,0|2,0,0]=4 2666 B13R0.194 C=CCOCC(=O)NCCC(C)CC 05cdc2f2216e9d9898a9aa7a3fadf50e [0,2,0,0,0,0|1,0,0]=3 2667 B13R0.194 C=CCOCC(=O)NCCC(C)CO 97a4f96dfd8fd4db660064e261296cd6 [0,2,0,0,0,0|2,0,0]=4 2668 B13R0.194 C=CCOCC(=O)NCCC(O)CO f20d85fe504e342175b1466421c16c64 [0,2,0,0,0,0|2,0,0]=4 2669 B13R0.194 C=CCOCC(=O)NCC[C@@H](C)CO eb3ee16cfec561f7fd62e330d40c8c91 [0,2,0,0,0,0|2,0,0]=4 2670 B13R0.194 C=CCSCC(=O)NCCC(C)CC 83a1668105f2ca1cfc8d2ea1723edcb8 [0,2,0,0,0,0|1,1,0]=4 2671 B13R0.194 CC=CCCC(=O)NCCC(C)CC 5f131b25544253934587c8c368f1b67e [0,2,0,0,0,0|2,0,0]=4 2672 B13R0.194 CC=CCNC(=O)CCCC(=O)CC 0032ca93ca5b36b66607dda886908c75 [0,2,0,0,0,0|1,0,1]=4 2673 B13R0.194 CC=CCNC(=O)CCCC(C)CC f5c0cc071787007a1d6684f4c2cafc18 [0,2,0,0,0,0|1,0,0]=3 2674 B13R0.194 CC=CCNC(=O)CCCC(O)CO 53f4373a02e92cb877926a786f2b205b [0,2,0,0,0,0|2,0,0]=4 2675 B13R0.194 CC=CCNC(=O)NCCC(C)CC 345969621d0aabbac0758d69d2f695ec [0,2,0,0,0,0|2,0,0]=4 2676 B13R0.195 C=C/C=C/C(=O)NC(C)CCCCC 716bead0b08afff6ba420179ac0495e0 [0,2,0,0,0,0|1,0,1]=4 2677 B13R0.195 C=C/C=C/C(=O)N[C@@H](C)CCCCC 4028af72bfe093ec635947d380e290b4 [0,2,0,0,0,0|1,0,1]=4 2678 B13R0.195 C=C/C=C\C(=O)NC(C)CCCCC 623769b01dc2040c1861b125b890f90d [0,2,0,0,0,0|1,0,1]=4 2679 B13R0.195 C=C/C=C\C(=O)N[C@@H](C)CCCCC 25ee59ec88d4799377993297159656f7 [0,2,0,0,0,0|1,0,1]=4 2680 B13R0.195 C=CC=CC(=O)NC(C)CCCCC 06dc77e8b59d2a6552eaa2b3d762d23b [0,2,0,0,0,0|1,0,1]=4 2681 B13R0.195 C=CC=CC(=O)N[C@@H](C)CCCCC 62b3dbe4797c6a0cd47f6f10dcb2bd06 [0,2,0,0,0,0|1,0,1]=4 2682 B13R0.195 C=CCCC(=O)NC(C)CCCCC ae60520b48eb7430db5f58160e8fa93d [0,2,0,0,0,0|1,0,0]=3 2683 B13R0.195 C=CCCC(=O)N[C@@H](C)CCCCC c3e1bd64a52c2a6b8f53ae2b7471d73d [0,2,0,0,0,0|1,0,0]=3 2684 B13R0.195 C=CCCCC(=O)NC(C)CCCC 592a37b030ae31a9818daef1288af9d3 [0,2,0,0,0,0|2,0,0]=4 2685 B13R0.195 C=CCCCC(=O)N[C@H](C)CCCC 3bb4bfe0f14c14e3a0eac70936b28952 [0,2,0,0,0,0|2,0,0]=4 2686 B13R0.195 C=CCCCN(C)CC(=O)OCC=C d74f604502e455903630d0bfc07f2e78 [0,2,0,0,0,0|0,0,2]=4 2687 B13R0.195 C=CCCNC(=O)CC(C)CCCC 7fa18df07435bd35252d86aad3456b9b [0,2,0,0,0,0|1,0,0]=3 2688 B13R0.195 C=CCCNC(=O)CC(O)CCCC 0d11b99b6c9bde1d4fc1613968976ee1 [0,2,0,0,0,0|1,0,0]=3 2689 B13R0.195 C=CCCNC(=O)C[C@@H](C)CCCC 56f30d22efef26147713a478c0f4207f [0,2,0,0,0,0|1,0,0]=3 2690 B13R0.195 C=CCCNC(=O)C[C@H](C)CCCC b41abcc59f60de072ed9e8c55e8cf261 [0,2,0,0,0,0|1,0,0]=3 2691 B13R0.195 C=CCCNC(=O)NC(C)CCCC e369d4ed54e3aafc4e626b0004928c05 [0,2,0,0,0,0|2,0,0]=4 2692 B13R0.195 C=CCCNC(=O)N[C@H](C)CCCC ebd2583e8cdbd7705fdecbb2335891bf [0,2,0,0,0,0|2,0,0]=4 2693 B13R0.195 C=CCNC(=O)CN(C)CCCCC 0a08611d17add089e3c824d5d9c6811d [0,2,0,0,0,0|1,0,0]=3 2694 B13R0.195 C=CCNC(=O)CN(C)CCCCO db8e4271979ccc5f5993b0b805a993ab [0,2,0,0,0,0|2,0,0]=4 2695 B13R0.195 C=CCNC(=O)CN(C)CCCOC b8936f2bf7b548d34db85657e954672a [0,2,0,0,0,0|2,0,0]=4 2696 B13R0.195 C=CCNC(=O)CN(C)CCOCC 4774ae53b05ce505e153b9e5044d24fc [0,2,0,0,0,0|2,0,0]=4 2697 B13R0.195 C=CCOC(=O)CN(C)CCCCC a4d206a027ee6da4118ee78c8564af56 [0,2,0,0,0,0|0,0,0]=2 2698 B13R0.195 C=CCOC(=O)CN(C)CCCCO 14e70747e00240b215c4bc2abe985a54 [0,2,0,0,0,0|1,0,0]=3 2699 B13R0.195 C=CCOC(=O)CN(C)CCCOC 6e900746795411a8a3267292737a7644 [0,2,0,0,0,0|1,0,0]=3 2700 B13R0.195 C=CCOC(=O)CN(C)CCOCC ce37545083132ad24618283563dbcf3c [0,2,0,0,0,0|1,0,0]=3 2701 B13R0.195 C=CCOCC(=O)NC(C)CCCC d29a1cf546dd74c377041e33c20eee29 [0,2,0,0,0,0|1,0,0]=3 2702 B13R0.195 C=CCOCC(=O)NC(C)CCCO 5520d0a868e4834aa2529750fefe80f4 [0,2,0,0,0,0|2,0,0]=4 2703 B13R0.195 C=CCOCC(=O)N[C@H](C)CCCC 5aa58e4fb8aefc9dbc34166955031946 [0,2,0,0,0,0|1,0,0]=3 2704 B13R0.195 C=CCOCC(=O)N[C@H](C)CCCO 04e5bd81245987e5e477a805600373ad [0,2,0,0,0,0|2,0,0]=4 2705 B13R0.195 C=CCSCC(=O)NC(C)CCCC 57aadcd237ca11491fef387b3aaed2ce [0,2,0,0,0,0|1,1,0]=4 2706 B13R0.195 C=CCSCC(=O)N[C@H](C)CCCC a01340e453981e7ab3e80fee9d38ff81 [0,2,0,0,0,0|1,1,0]=4 2707 B13R0.195 CC=CCCC(=O)NC(C)CCCC bce458002c586b00fd5fd1965fc3cd71 [0,2,0,0,0,0|2,0,0]=4 2708 B13R0.195 CC=CCCC(=O)N[C@H](C)CCCC 0198f58bd43aee41209ee26e0711b817 [0,2,0,0,0,0|2,0,0]=4 2709 B13R0.195 CC=CCNC(=O)CC(C)CCCC 36cef95daea0a1001175d035bc245a5b [0,2,0,0,0,0|1,0,0]=3 2710 B13R0.195 CC=CCNC(=O)CC(O)CCCC f4f968ca9cfe1e9949f24c702604c0ee [0,2,0,0,0,0|1,0,0]=3 2711 B13R0.195 CC=CCNC(=O)C[C@@H](C)CCCC 360bb9d5d3b6eba3e6c53bc359d5348a [0,2,0,0,0,0|1,0,0]=3 2712 B13R0.195 CC=CCNC(=O)C[C@H](C)CCCC f5ff7761ec69f1e9d31a608ffc1846b6 [0,2,0,0,0,0|1,0,0]=3 2713 B13R0.195 CC=CCNC(=O)NC(C)CCCC 44eb9fd967dc2853bf1fbc794aa8cd51 [0,2,0,0,0,0|2,0,0]=4 2714 B13R0.195 CC=CCNC(=O)N[C@H](C)CCCC cc1e6fde3343321197a9ca42aaf71089 [0,2,0,0,0,0|2,0,0]=4 2715 B13R0.195 CCCCCC(C)NC(=O)CCC=O e1a7ede6dc09f248a9e522928fc63b7d [0,2,0,0,0,0|2,0,0]=4 2716 B13R0.195 CCCCCN(C)CC(=O)OCCC 90e1adaa64e24d62094270400c5b1f3a [0,2,0,0,0,0|0,0,2]=4 2717 B13R0.195 CCCCC[C@H](C)NC(=O)CCC=O a3ed9bc6d03da902722e8044da430990 [0,2,0,0,0,0|2,0,0]=4 2718 B13R0.278 C/C=C/COC(CC)CCCCCC 05772516fc38c6a40021a54daa206f82 [0,2,0,0,0,0|1,0,1]=4 2719 B13R0.278 C/C=C\COC(CC)CCCCCC 4df296d61e734d04425abf7dc91f6b32 [0,2,0,0,0,0|1,0,1]=4 2720 B13R0.278 C=CC(CCCCCC)OC/C=C/C 2b5362be5a216e26def2dc0151e86c08 [0,2,0,0,0,0|1,0,1]=4 2721 B13R0.278 C=CC(CCCCCC)OC/C=C/Cl 005a86f1fec9096b0123809b4dbbe19a [0,2,0,0,0,0|1,0,1]=4 2722 B13R0.278 C=CC(CCCCCC)OC/C=C\C 66fe238e47c88f084410bdb99c3b5f83 [0,2,0,0,0,0|1,0,1]=4 2723 B13R0.278 C=CC(CCCCCC)OC/C=C\Cl 9282da2f8ab36ca4975e7035d7238857 [0,2,0,0,0,0|1,0,1]=4 2724 B13R0.278 C=CCCOC(C=C)CCCCCC 16a25d8af1a9bd5a96a37ba0e28e9fde [0,2,0,0,0,0|1,0,1]=4 2725 B13R0.278 C=CCCOC(CC)CCCCCC 6ac879d39ca667346225f97306b7422d [0,2,0,0,0,0|1,0,1]=4 2726 B13R0.278 C=CCOCC(CC)CCCCCC e3b181c63a1f7760860b160837b07147 [0,2,0,0,0,0|1,0,1]=4 2727 B13R0.278 CCCCCCC(CC)OC/C=C/Cl 32896b742ae2aa2a9b4d02195e31480f [0,2,0,0,0,0|1,0,1]=4 2728 B13R0.278 CCCCCCC(CC)OC/C=C\Cl cbb05e4e423e7d19cde1ad3387594f02 [0,2,0,0,0,0|1,0,1]=4 2729 B13R0.330 C/C=C/C(C)OC(C)CCCCCC 22064b8ea9fc27340833d18810afdec9 [0,2,0,0,0,0|1,0,1]=4 2730 B13R0.330 C=CCC(C)OC(C)CCCCCC 29db60e8a56f485ade04e43c9f62e9b7 [0,2,0,0,0,0|1,0,1]=4 2731 B13R0.330 C=CCN(C)CC(=O)NCCCCC 29f3c69fdebb80d6d774c616d7a33533 [0,2,0,0,0,0|2,0,0]=4 2732 B13R0.330 C=CC[C@@H](C)OC(C)CCCCCC cdae3a7598594573ff1834ba487a08e1 [0,2,0,0,0,0|1,0,1]=4 2733 B13R0.330 C=CC[C@H](C)CC(=O)NCCCCC 58ebb7918c4611192bf20279bdbdfb5c [0,2,0,0,0,0|2,0,0]=4 2734 B13R0.330 C=CC[C@H](C)OC(C)CCCCCC 11102362cc12f4783a2e7e8ce9603bc2 [0,2,0,0,0,0|1,0,1]=4 2735 B13R0.330 CC=CC(C)OC(C)CCCCCC ad5c5a977891ebb184111d0fe887072b [0,2,0,0,0,0|1,0,1]=4 2736 B13R0.338 C#CCCCCCC(=O)NCC=CC cbf5c117a455d35175833d6dd4463bc2 [0,2,0,0,0,0|1,0,1]=4 2737 B13R0.338 C#CCCCCCC(=O)NCCC=C 51197af4b2ce8a17e42abf69df4c0918 [0,2,0,0,0,0|1,0,1]=4 2738 B13R0.338 C#CCCCCNC(=O)COCC=C 7d5d79db4dd8918064e3d14e3c4a835a [0,2,0,0,0,0|0,0,2]=4 2739 B13R0.338 C#CCOCC(=O)NCCCCCC d28915c2784aa180ef7a941f72877ded [0,2,0,0,0,0|0,0,2]=4 2740 B13R0.338 C/C=C/C=C/C(=O)NCCCCCC 964860fb971fb1cde6acf6a17224cb2a [0,2,0,0,0,0|1,0,1]=4 2741 B13R0.338 C/C=C/COC(C)CCCCCCC 9c5b093da6ca4745ab190207a4e65505 [0,2,0,0,0,0|1,0,1]=4 2742 B13R0.338 C/C=C\COC(C)CCCCCCC 66af03d33c5c3893a646ad9ca55e9972 [0,2,0,0,0,0|1,0,1]=4 2743 B13R0.338 C=CCCCC(=O)NCCCCCC 510c7015a4ddfb04431b8dab38314dfc [0,2,0,0,0,0|1,0,0]=3 2744 B13R0.338 C=CCCCC(=O)NCCCCCCl 475d98012ac74977d0b52f7f4fabf438 [0,2,0,0,0,0|2,0,0]=4 2745 B13R0.338 C=CCCCC(=O)NCCCCCO f3dd562d752549a5ac18f31131b24dcf [0,2,0,0,0,0|2,0,0]=4 2746 B13R0.338 C=CCCCC(=O)NCCCCOC 7c79981e6057b2ff3bcda2b3024e9673 [0,2,0,0,0,0|2,0,0]=4 2747 B13R0.338 C=CCCCC(=O)NCCCCSC 4a4b0fdfa8e69d826300f15530c3fd9d [0,2,0,0,0,0|2,0,0]=4 2748 B13R0.338 C=CCCCC(=O)NCCCOCC 065ba25fd27d28187b40cfcff601ec89 [0,2,0,0,0,0|2,0,0]=4 2749 B13R0.338 C=CCCCC(=O)NCCOCCC 30b030209d8c7e9e1c235346502a2439 [0,2,0,0,0,0|2,0,0]=4 2750 B13R0.338 C=CCCCCCC(=O)NCC=CC bc6ad2d385944d98cef503a170715566 [0,2,0,0,0,0|1,0,1]=4 2751 B13R0.338 C=CCCCCCC(=O)NCCC=C c0f9ea49815a0e57597af745745faea0 [0,2,0,0,0,0|1,0,1]=4 2752 B13R0.338 C=CCCCCNC(=O)COCC=C 9b1fe23f76cdff04d0af98aea869fd43 [0,2,0,0,0,0|0,0,2]=4 2753 B13R0.338 C=CCCNC(=O)/C=C/CCCCC 95009a453c968b8d4f14abe5f72efab5 [0,2,0,0,0,0|1,0,1]=4 2754 B13R0.338 C=CCCNC(=O)C#CCCCCC 88b27231e2c4ef271d41a4694d3b0d12 [0,2,0,0,0,0|1,0,1]=4 2755 B13R0.338 C=CCCNC(=O)C/C=C/CCCC ae20f0ca4136a3515dcaa69072e13e60 [0,2,0,0,0,0|1,0,1]=4 2756 B13R0.338 C=CCCNC(=O)CC#CCCCC 815dda0b870620f68f85618ac647b7a2 [0,2,0,0,0,0|1,0,1]=4 2757 B13R0.338 C=CCCNC(=O)CC/C=C/CCC 7ad37d1f8f2e6d7f6e50a3cb114df681 [0,2,0,0,0,0|1,0,1]=4 2758 B13R0.338 C=CCCNC(=O)CC/C=C\CCC 6500475eb37d88652854f224dd810a05 [0,2,0,0,0,0|1,0,1]=4 2759 B13R0.338 C=CCCNC(=O)CCCCCC=O 062d0188e1f2ac91a11446a7c68cc380 [0,2,0,0,0,0|1,0,1]=4 2760 B13R0.338 C=CCCNC(=O)CCCCCCC ba7f52932b72e2271ab17ca72a1a3e3b [0,2,0,0,0,0|1,0,0]=3 2761 B13R0.338 C=CCCNC(=O)CCCCCCF 065f1b0f190db27e4f58ccfe1f8dd2d2 [0,2,0,0,0,0|1,0,0]=3 2762 B13R0.338 C=CCCNC(=O)CCCCCCO 261ec6c20d180f1fc013917572e74235 [0,2,0,0,0,0|1,0,0]=3 2763 B13R0.338 C=CCCNC(=O)CCCCCCS 8fe7c546d549bf8fb48648698721be08 [0,2,0,0,0,0|1,0,0]=3 2764 B13R0.338 C=CCCNC(=O)CCCCCOC 7eabebb86aaeee817ed1b734785ba9f1 [0,2,0,0,0,0|1,0,0]=3 2765 B13R0.338 C=CCCNC(=O)CCCCOCC eda477c7fcaca01e18a1c36611ecf709 [0,2,0,0,0,0|1,0,0]=3 2766 B13R0.338 C=CCCNC(=O)CCOCCCC e433b3eaa469a62ebaf2d0409972ea77 [0,2,0,0,0,0|1,0,0]=3 2767 B13R0.338 C=CCCNC(=O)CCOCCOC 7262d15bdf8570b52fd3c30733f7cec2 [0,2,0,0,0,0|2,0,0]=4 2768 B13R0.338 C=CCCNC(=O)NCCCCCC a5141d30b799b3c775e411b59946e477 [0,2,0,0,0,0|1,0,0]=3 2769 B13R0.338 C=CCCNC(=O)NCCCCCN 0d7af9fc59cbd5ce18b0f6a6dd852d5b [0,2,0,0,0,0|2,0,0]=4 2770 B13R0.338 C=CCCNC(=O)NCCCCCO 1846aa5cf25e876385fe043b6b625eab [0,2,0,0,0,0|2,0,0]=4 2771 B13R0.338 C=CCCNC(=O)NCCCCOC c9793b92d3a912745e1e4b633f135d42 [0,2,0,0,0,0|2,0,0]=4 2772 B13R0.338 C=CCCNC(=O)NCCCCSC fae14bd24f2acbc4ebb0f353ef9b065d [0,2,0,0,0,0|2,0,0]=4 2773 B13R0.338 C=CCCNC(=O)NCCCOCC f2e56457c987f261383b4455ac24b1d3 [0,2,0,0,0,0|2,0,0]=4 2774 B13R0.338 C=CCCNC(=O)NCCOCCC 216deea42e9f9118e48d191f13d80eef [0,2,0,0,0,0|2,0,0]=4 2775 B13R0.338 C=CCCNC(=S)NCCCCCC 0da5222a5badc69f964d40fae41343bc [0,2,0,0,0,0|1,1,0]=4 2776 B13R0.338 C=CCCOC(C)CCCCCCC f4a82d4dd731e5855ccc4f3281587117 [0,2,0,0,0,0|1,0,1]=4 2777 B13R0.338 C=CCOCC(=O)NCCCCC#N 815e5723248720a4c0bee3180cfb6c48 [0,2,0,0,0,0|1,0,1]=4 2778 B13R0.338 C=CCOCC(=O)NCCCCCC 58c1270e7a30ffe446bd5835b834f67d [0,2,0,0,0,0|0,0,0]=2 2779 B13R0.338 C=CCOCC(=O)NCCCCCCl 4f03940c3a38f75a6a599f3aa47f529b [0,2,0,0,0,0|1,0,0]=3 2780 B13R0.338 C=CCOCC(=O)NCCCCCO eaa9fcbd011c1b236f84271111ad3df1 [0,2,0,0,0,0|1,0,0]=3 2781 B13R0.338 C=CCOCC(=O)NCCCCOC 2779638f5294fa7471ffb13d7776e286 [0,2,0,0,0,0|1,0,0]=3 2782 B13R0.338 C=CCOCC(=O)NCCCCSC 7f97ea1f6f5125bd070da0f7b0d52b71 [0,2,0,0,0,0|1,0,0]=3 2783 B13R0.338 C=CCOCC(=O)NCCCOCC cfe02deca9a5f3533a070d8218465196 [0,2,0,0,0,0|1,0,0]=3 2784 B13R0.338 C=CCOCC(=O)NCCOCCC 45197a2859f176da91b3621a1afe07dc [0,2,0,0,0,0|1,0,0]=3 2785 B13R0.338 C=CCOCC(=O)NCCOCCO 0c59b7aa36a29ffbe215120093af2b67 [0,2,0,0,0,0|2,0,0]=4 2786 B13R0.338 C=CCOCC(=O)NCCOCCS 57ed3a8e1415da6a819a3dd13c7f5ed9 [0,2,0,0,0,0|2,0,0]=4 2787 B13R0.338 C=CCOCC(=O)NCCSCCO 413ce6e47c33619929c0809986d36433 [0,2,0,0,0,0|2,0,0]=4 2788 B13R0.338 C=CCOCC(C)CCCCCCC 9f6464c75f6c39525562489443234ec7 [0,2,0,0,0,0|1,0,1]=4 2789 B13R0.338 C=CCSCC(=O)NCCCCCC 2a240d5daac7832b4934dc07c9ec0509 [0,2,0,0,0,0|0,1,0]=3 2790 B13R0.338 C=CCSCC(=O)NCCCCCCl 8ec4d90d8ff83661d3a23ac089db5437 [0,2,0,0,0,0|1,1,0]=4 2791 B13R0.338 C=CCSCC(=O)NCCCCCO 627cda10f6e4b2786675df97a035d067 [0,2,0,0,0,0|1,1,0]=4 2792 B13R0.338 C=CCSCC(=O)NCCCCOC 83f5ee4c680fc57fbbebb8da4050c6a0 [0,2,0,0,0,0|1,1,0]=4 2793 B13R0.338 C=CCSCC(=O)NCCCCSC 112f17e67f3f36c40ef24c455a4ff36a [0,2,0,0,0,0|1,1,0]=4 2794 B13R0.338 C=CCSCC(=O)NCCCOCC 3d512cf128f03f178fadafc0de16ee34 [0,2,0,0,0,0|1,1,0]=4 2795 B13R0.338 C=CCSCC(=O)NCCOCCC 95fddb062702af030dd8a2026996756e [0,2,0,0,0,0|1,1,0]=4 2796 B13R0.338 CC=CC=CC(=O)NCCCCCC 339ff6404ad39c5fd17cc0bc953539b9 [0,2,0,0,0,0|1,0,1]=4 2797 B13R0.338 CC=CCCC(=O)NCCCCCC 400630f7df76b799b44e37d8c66d3c4d [0,2,0,0,0,0|1,0,0]=3 2798 B13R0.338 CC=CCCC(=O)NCCCCCCl d8c0e1515d13c2cb6e478b61534ffaf8 [0,2,0,0,0,0|2,0,0]=4 2799 B13R0.338 CC=CCCC(=O)NCCCCCO 6646b0f1126acc060bffd26ca5383acf [0,2,0,0,0,0|2,0,0]=4 2800 B13R0.338 CC=CCCC(=O)NCCCCOC a3705922215c9e662e19657b5b2dc4f7 [0,2,0,0,0,0|2,0,0]=4 2801 B13R0.338 CC=CCCC(=O)NCCCCSC 1756c6689c55c58cfd296e49ca90e6c8 [0,2,0,0,0,0|2,0,0]=4 2802 B13R0.338 CC=CCCC(=O)NCCCOCC 29fd4671fcb58d56e1c5c4a9c5d4671d [0,2,0,0,0,0|2,0,0]=4 2803 B13R0.338 CC=CCCC(=O)NCCOCCC 68aa926cc869c939aa38b65f0b461a1d [0,2,0,0,0,0|2,0,0]=4 2804 B13R0.338 CC=CCNC(=O)/C=C/CCCCC 98db98ae799bd688bf679f78be085693 [0,2,0,0,0,0|1,0,1]=4 2805 B13R0.338 CC=CCNC(=O)C#CCCCCC 44973563da11ab58909cc8ccb6db9408 [0,2,0,0,0,0|1,0,1]=4 2806 B13R0.338 CC=CCNC(=O)C/C=C/CCCC 2a4485f6e48438ea46cc92f398fff8c5 [0,2,0,0,0,0|1,0,1]=4 2807 B13R0.338 CC=CCNC(=O)CC#CCCCC b1f992939e1dfb0b75d20f0688ced833 [0,2,0,0,0,0|1,0,1]=4 2808 B13R0.338 CC=CCNC(=O)CC/C=C/CCC e74afbad832787a8c7abee97e61a6f61 [0,2,0,0,0,0|1,0,1]=4 2809 B13R0.338 CC=CCNC(=O)CC/C=C\CCC 1d3acc96d889a613f6872f7c6980a417 [0,2,0,0,0,0|1,0,1]=4 2810 B13R0.338 CC=CCNC(=O)CCCCCC=O 0f75dd415a6bd92237b6f698273ece87 [0,2,0,0,0,0|1,0,1]=4 2811 B13R0.338 CC=CCNC(=O)CCCCCCC 4bdfd27cb5ddb9dc928dc7b478c225e8 [0,2,0,0,0,0|1,0,0]=3 2812 B13R0.338 CC=CCNC(=O)CCCCCCF 89c069a89c1514964b28b36e494cbbb6 [0,2,0,0,0,0|1,0,0]=3 2813 B13R0.338 CC=CCNC(=O)CCCCCCO 1b3b13e1984a26479ebd98c5c7bcba14 [0,2,0,0,0,0|1,0,0]=3 2814 B13R0.338 CC=CCNC(=O)CCCCCCS bb34691c80cc1f93019cb691431d7afb [0,2,0,0,0,0|1,0,0]=3 2815 B13R0.338 CC=CCNC(=O)CCCCCOC 927b4edea030ca141406b5b045b67689 [0,2,0,0,0,0|1,0,0]=3 2816 B13R0.338 CC=CCNC(=O)CCCCOCC ef8cf2c2d9610755140f8a3a69363faf [0,2,0,0,0,0|1,0,0]=3 2817 B13R0.338 CC=CCNC(=O)CCOCCCC f8238d1dec344f66edb1ae3ff563dedc [0,2,0,0,0,0|1,0,0]=3 2818 B13R0.338 CC=CCNC(=O)CCOCCOC cc2be8e1d439a178b8c75ce0c41ab11f [0,2,0,0,0,0|2,0,0]=4 2819 B13R0.338 CC=CCNC(=O)NCCCCCC c266903f5af57ce1f4b9323acace2867 [0,2,0,0,0,0|1,0,0]=3 2820 B13R0.338 CC=CCNC(=O)NCCCCCN 1aa2a9467f22d90f1eb77ab0cd0a4128 [0,2,0,0,0,0|2,0,0]=4 2821 B13R0.338 CC=CCNC(=O)NCCCCCO 6bf290065fac3502ec7193e38f333bb6 [0,2,0,0,0,0|2,0,0]=4 2822 B13R0.338 CC=CCNC(=O)NCCCCOC 4601db236f9f026fe7bec2c4763d6fa6 [0,2,0,0,0,0|2,0,0]=4 2823 B13R0.338 CC=CCNC(=O)NCCCCSC cd4b1b8424abe526c1a41b8b7a255a41 [0,2,0,0,0,0|2,0,0]=4 2824 B13R0.338 CC=CCNC(=O)NCCCOCC c3b70ee1a996a9a51008714d3b54850f [0,2,0,0,0,0|2,0,0]=4 2825 B13R0.338 CC=CCNC(=O)NCCOCCC bf30ca8b19f06d60e8fc7a248345420f [0,2,0,0,0,0|2,0,0]=4 2826 B13R0.338 CC=CCNC(=S)NCCCCCC 83cf89f8c951cc59a02c7f6f4551a282 [0,2,0,0,0,0|1,1,0]=4 2827 B13R0.338 CCCCCCCC(C)OC/C=C/Cl d40a9eab430b9748c0dc255121382985 [0,2,0,0,0,0|1,0,1]=4 2828 B13R0.338 CCCCCCCC(C)OC/C=C\Cl 42bc6c159a61255f43ce088af5a8566f [0,2,0,0,0,0|1,0,1]=4 2829 B13R0.338 CCCCCCNC(=O)CCCC=O 50dc6518989dca27efbb8628d2df2808 [0,2,0,0,0,0|1,0,1]=4 2830 B13R0.338 CCCCCCNC(=O)COCC#N 12261b15b0d6c6f53b108ca0e9e6befc [0,2,0,0,0,0|1,0,1]=4 2831 B13R0.338 CCCCCCNC(=O)COCCC 40f273b76938fb28213e95d5f36dd623 [0,2,0,0,0,0|0,0,2]=4 2832 B13R0.338 CCCCCCNC(=O)COCCF 04902241cbd7d7edc1377d0ee48a3b08 [0,2,0,0,0,0|1,0,1]=4 2833 B13R0.338 CCCCCCNC(=O)COCCO 91a89745ada51ba454adb562970e059c [0,2,0,0,0,0|1,0,1]=4 2834 B13R0.338 CCCCCCNC(=O)COCCS 92243d37bd21d03ba76ce28056bf2836 [0,2,0,0,0,0|1,0,1]=4 2835 B13R0.338 CCCCCCNC(=O)COCOC aa1110aff86e90565891e2ff271b2578 [0,2,0,0,0,0|1,0,1]=4 2836 B13R0.338 CCCCCNCC(=O)OCCCC 037b856c3b5867563ffc74d016b35b55 [0,2,0,0,0,0|0,0,2]=4 2837 B13R0.338 CCCCCNCC(=O)OCCOC 763a112a61bdd313118211c25de885d5 [0,2,0,0,0,0|0,0,2]=4 2838 B13R0.338 CCCCCOCC(=O)OCCCC 7c7872f1e30a839e47f94160082f476b [0,2,0,0,0,0|0,0,2]=4 2839 B13R0.338 CCCCCOCC(=O)OCCOC b6ecb60292b10313b188ab9b1dcbf098 [0,2,0,0,0,0|0,0,2]=4 2840 B13R0.338 CCCCOC(=O)CCCOCCC d1147301aadcbcd5d14c8ed41ec5d67d [0,2,0,0,0,0|0,0,2]=4 2841 B13R0.398 C=CCCCC(=O)N(C)CCCCC 551e7c1ab967b6f395413853c0e522ce [0,2,0,0,0,0|2,0,0]=4 2842 B13R0.398 C=CCCNC(=O)C(=O)CCCCC e89ffb1dbbfab3449598b7bd7187c9e5 [0,2,0,0,0,0|1,0,1]=4 2843 B13R0.398 C=CCCNC(=O)C(C)SCCCC 699db101d076e0c4ab58f1d3301e280c [0,2,0,0,0,0|2,0,0]=4 2844 B13R0.398 C=CCCNC(=O)C(O)CCCCC 300c6c82780452cec15edb4bb5562fc3 [0,2,0,0,0,0|1,0,0]=3 2845 B13R0.398 C=CCCNC(=O)N(C)CCCCC 7f36b9ed6b36c1300a3c9fa3b7647580 [0,2,0,0,0,0|2,0,0]=4 2846 B13R0.398 C=CCOCC(=O)N(C)CCCCC 7946f50befd88bf226849e6acf0b46ef [0,2,0,0,0,0|1,0,0]=3 2847 B13R0.398 C=CCOCC(=O)N(C)CCCCO b7c1c836b3ffd69b1d2759b80a94d6ec [0,2,0,0,0,0|2,0,0]=4 2848 B13R0.398 C=CCOCC(=O)N(C)CCCOC 6499805908d340a6410c30c159872b5d [0,2,0,0,0,0|2,0,0]=4 2849 B13R0.398 C=CCOCC(=O)N(C)CCOCC 5760514375274443f2f66c2b39f6f31a [0,2,0,0,0,0|2,0,0]=4 2850 B13R0.398 C=CCSCC(=O)N(C)CCCCC 0615fd15d1a90fbcfe2dc21609af53e6 [0,2,0,0,0,0|1,1,0]=4 2851 B13R0.398 CC=CCCC(=O)N(C)CCCCC 50ca43904664a72980c7640242d554f3 [0,2,0,0,0,0|2,0,0]=4 2852 B13R0.398 CC=CCNC(=O)C(=O)CCCCC f0dcb6bcfbf8d5194c2ace5ae3971055 [0,2,0,0,0,0|1,0,1]=4 2853 B13R0.398 CC=CCNC(=O)C(C)SCCCC 1177b235f0d7e405a01608084ef6c07a [0,2,0,0,0,0|2,0,0]=4 2854 B13R0.398 CC=CCNC(=O)C(O)CCCCC 91ab90096d4f46c6bb70a36f48b83c36 [0,2,0,0,0,0|1,0,0]=3 2855 B13R0.398 CC=CCNC(=O)N(C)CCCCC 417a6ff9fb6dd96cff6cc8f36e8ed843 [0,2,0,0,0,0|2,0,0]=4 2856 B13R0.1129 C=CCOCC(C)(C)CCCCCC bc2601396eaa09af7f30a5621c0e3b68 [0,2,0,0,0,0|1,0,1]=4 2857 B13R0.1170 C=C(C#N)COC(C)CCCCCC 0debe27e5d48815cd8670c88753510de [0,2,0,0,0,0|1,0,1]=4 2858 B13R0.1170 C=C(C#N)CO[C@@H](C)CCCCCC 36148b25e4b469c769f8c85d479099b7 [0,2,0,0,0,0|1,0,1]=4 2859 B13R0.1170 C=C(C#N)CO[C@H](C)CCCCCC e596a377064def3802d7b2b747d685ae [0,2,0,0,0,0|1,0,1]=4 2860 B13R0.1170 C=C(CC)COC(C)CCCCCC 79040c38aec3ba9b9fb376ceb3f652a6 [0,2,0,0,0,0|1,0,1]=4 2861 B13R0.1170 C=C(CC)CO[C@@H](C)CCCCCC 0e118e71f45b4780c88d2db3f1b54fa5 [0,2,0,0,0,0|1,0,1]=4 2862 B13R0.1170 C=C(CC)CO[C@H](C)CCCCCC fd70f5199029469089ebe660dfaac3ab [0,2,0,0,0,0|1,0,1]=4 2863 B13R0.1170 C=C(COC(C)CCCCCC)OC 142429a60078f0e0fd1a8e3a8229e36a [0,2,0,0,0,0|1,0,1]=4 2864 B13R0.1170 C=C(CO[C@@H](C)CCCCCC)OC 7ebbdc5f21764f871027cfa4a8d5736b [0,2,0,0,0,0|1,0,1]=4 2865 B13R0.1170 C=C(CO[C@H](C)CCCCCC)OC 786959cd34f9b2148bf2cfc69ff17c93 [0,2,0,0,0,0|1,0,1]=4 2866 B13R0.1170 C=CC(C)COC(C)CCCCCC 92d2fc72c2bcb7571870028280b5028b [0,2,0,0,0,0|1,0,1]=4 2867 B13R0.1170 C=CC(C)NCC(=O)NCCCCC 634bbeaff10af88b84ff44ebab32a5d5 [0,2,0,0,0,0|2,0,0]=4 2868 B13R0.1170 C=CC(C)OCC(=O)NCCCCC 6f0f3dd20641a5f565379f5d50b908ca [0,2,0,0,0,0|1,0,0]=3 2869 B13R0.1170 C=CC(C)OCC(=O)NCCOCC 9d8b70e407e8d3a0c1286d04ad8fe024 [0,2,0,0,0,0|2,0,0]=4 2870 B13R0.1170 C=CC(C)OCC(=O)OCCOCC 0050312d5e4726b98477462cc86381c5 [0,2,0,0,0,0|2,0,0]=4 2871 B13R0.1170 C=CC(C)OCC(C)CCCCCC 342b8fb4a1922c869167f8f379493fcd [0,2,0,0,0,0|1,0,1]=4 2872 B13R0.1170 C=CC(O)CNC(=O)CCCCCC d9d1bd7ba11039a570d57af9133869f9 [0,2,0,0,0,0|1,0,0]=3 2873 B13R0.1170 C=CC(O)CNC(=O)CCCCCF 24c4147f8666c18bc055693ea355106b [0,2,0,0,0,0|2,0,0]=4 2874 B13R0.1170 C=CC(O)CNC(=O)CCCCCO 231e0e77aeb463ff539951d29fd05bc5 [0,2,0,0,0,0|2,0,0]=4 2875 B13R0.1170 C=CC(O)CNC(=O)CCCCCS 402adaaca4773ed7eabffbf97e8781af [0,2,0,0,0,0|2,0,0]=4 2876 B13R0.1170 C=CC(O)CNC(=O)CCOCCC f4f350f7f376b2441f88eb80d7f86bc5 [0,2,0,0,0,0|2,0,0]=4 2877 B13R0.1170 C=CC(O)CNC(=O)COCCCC 90a0ea7d096605318846cdf924c78090 [0,2,0,0,0,0|2,0,0]=4 2878 B13R0.1170 C=CC(O)CNC(=O)CSCCCC 9e2b9b949534d61c6609bdb441e98d94 [0,2,0,0,0,0|2,0,0]=4 2879 B13R0.1170 C=CC(O)CNC(=O)NCCCCC 2f2be3f762261f1b10491cf30ed3e36b [0,2,0,0,0,0|2,0,0]=4 2880 B13R0.1170 C=C[C@H](C)OCC(=O)NCCCCC 0cc51d852c4ba18b80d5afbf3272ece9 [0,2,0,0,0,0|1,0,0]=3 2881 B13R0.1170 C=C[C@H](C)OCC(=O)NCCOCC f0dcf1f2ca82df1128ed4fae9915cfb8 [0,2,0,0,0,0|2,0,0]=4 2882 B13R0.1170 C=C[C@H](C)OCC(=O)OCCOCC 8f599dbefb8e3aaffd4495acb8c784f2 [0,2,0,0,0,0|2,0,0]=4 2883 B13R0.1170 CCCCCCC(=O)NCC(=O)NC 0645140695b357bb900955f32d26488d [0,2,0,0,0,0|1,0,1]=4 2884 B13R0.1170 CCCCCCC(=O)NCC(=O)NO 714708f8725a6a828251617e8eff0881 [0,2,0,0,0,0|2,0,0]=4 2885 B13R0.1170 CCCCCCC(=O)NCC(=O)OC 5891b7ec4cb8c14c623b87a6cccdec90 [0,2,0,0,0,0|1,0,1]=4 2886 B13R0.1170 CCCCCCC(C)OC/C(=C/Cl)/Cl f4e87ca235c9402eec924be14dad5703 [0,2,0,0,0,0|1,0,1]=4 2887 B13R0.1170 CCCCCCC(C)OC/C(=C/I)/C 35674f9c351eb3d19732383a53b6267a [0,2,0,0,0,0|1,0,1]=4 2888 B13R0.1170 CCCCCCC(C)OCC(=CI)C e91b6587546799833f7801e2629f08c9 [0,2,0,0,0,0|1,0,1]=4 2889 B13R0.1170 CCCCCC[C@@H](C)OC/C(=C/Cl)/Cl cb432b8a4a370fef2f6a7c03fb8b1ad9 [0,2,0,0,0,0|1,0,1]=4 2890 B13R0.1170 CCCCCC[C@H](C)OC/C(=C/Cl)/Cl 67151218e904c789e14ab624781c2da5 [0,2,0,0,0,0|1,0,1]=4 2891 B13R0.1170 CCCCCNC(=O)COC(C)C=O 6b4893ea1f5cb0bade0438fc4bd17ade [0,2,0,0,0,0|2,0,0]=4 2892 B13R0.1171 C#CCCCN[C@@H](C)C(=O)OCC=C f9464ce750d30f60ee86ba348ba368e8 [0,2,0,0,0,0|0,0,2]=4 2893 B13R0.1171 C=C/C=C/C(=O)N(C)CCCCCC 321dc67fd55efebd5af88e8c4f8b5208 [0,2,0,0,0,0|1,0,1]=4 2894 B13R0.1171 C=C/C=C\C(=O)N(C)CCCCCC 3ea067b8d19a6cc3a776e9fcda2091cb [0,2,0,0,0,0|1,0,1]=4 2895 B13R0.1171 C=CC=CC(=O)N(C)CCCCCC 44e9fe1a244f0a00bc5dd21ddf476938 [0,2,0,0,0,0|1,0,1]=4 2896 B13R0.1171 C=CCCC(=O)C(=O)NCCCCC 1105a8a47ae4440c5a7a9b34d7645ace [0,2,0,0,0,0|1,0,1]=4 2897 B13R0.1171 C=CCCC(=O)N(C)CCCCCC dd8aa19584ab15e2b5f4a2ab1177e0e0 [0,2,0,0,0,0|1,0,0]=3 2898 B13R0.1171 C=CCCC(=O)N(C)CCCCCO e23184cc68a8fd547fb03525b7ef659c [0,2,0,0,0,0|2,0,0]=4 2899 B13R0.1171 C=CCCC(=O)N(C)CCCCOC 968f1501b74a7298025df7ff9ee269bf [0,2,0,0,0,0|2,0,0]=4 2900 B13R0.1171 C=CCCCN[C@@H](C)C(=O)OCC=C e76a0d26e1094c9426619151aed3a984 [0,2,0,0,0,0|0,0,2]=4 2901 B13R0.1171 C=CCCN(C)C(=O)CCCCCC 5f21b2f53d45223d974499c872a1e55e [0,2,0,0,0,0|1,0,0]=3 2902 B13R0.1171 C=CCCN(C)C(=O)CCCCCF c2402895c5cce0ce6dac24ce8e83b141 [0,2,0,0,0,0|2,0,0]=4 2903 B13R0.1171 C=CCCN(C)C(=O)CCCCCO 5d85e3202f2cdae479723d857bdc1452 [0,2,0,0,0,0|2,0,0]=4 2904 B13R0.1171 C=CCCN(C)C(=O)CCCCCS 7cf20f29115b4ecbd126a8f271384b84 [0,2,0,0,0,0|2,0,0]=4 2905 B13R0.1171 C=CCCN(C)C(=O)CCOCCC 3c1ab3aed323e94dea6a673bdb8daedf [0,2,0,0,0,0|2,0,0]=4 2906 B13R0.1171 C=CCCN(C)C(=O)COCCCC cd9ea69ee183edb6abb5e3b8c3d9730c [0,2,0,0,0,0|2,0,0]=4 2907 B13R0.1171 C=CCCN(C)C(=O)CSCCCC 662cad8e58f9e93df5a1ceab07ded23a [0,2,0,0,0,0|2,0,0]=4 2908 B13R0.1171 C=CCCN(C)C(=O)NCCCCC fb5dea28f2219280374281de9b76a7c3 [0,2,0,0,0,0|2,0,0]=4 2909 B13R0.1171 C=CCNC(=O)C(C)NCCCCC c54278fb5e54feae81b903ef705a77a5 [0,2,0,0,0,0|1,0,0]=3 2910 B13R0.1171 C=CCNC(=O)C(C)NCCCCCl 7c1991f2d8ff3758cb7c691319f9ce21 [0,2,0,0,0,0|2,0,0]=4 2911 B13R0.1171 C=CCNC(=O)C(C)NCCCCO 2aafd0adc91b6a0ed70b72c3b138a5d5 [0,2,0,0,0,0|2,0,0]=4 2912 B13R0.1171 C=CCNC(=O)C(C)NCCCCS 91d719363170b3e148e8e99d8407df44 [0,2,0,0,0,0|2,0,0]=4 2913 B13R0.1171 C=CCNC(=O)C(C)NCCCOC d6700836b52700951dcebbd996dc67a2 [0,2,0,0,0,0|2,0,0]=4 2914 B13R0.1171 C=CCNC(=O)C(C)NCCCSC 70de54ba698e3cf7c3ccf4384677ed0e [0,2,0,0,0,0|2,0,0]=4 2915 B13R0.1171 C=CCNC(=O)C(C)NCCOCC 5b43fd3c99d0942e6819ae8bc18c16bc [0,2,0,0,0,0|2,0,0]=4 2916 B13R0.1171 C=CCNC(=O)C(C)NCCSCC cebb5e37952a46255e8a343369b19e49 [0,2,0,0,0,0|2,0,0]=4 2917 B13R0.1171 C=CCNC(=O)C(C)OCCCCC 1408dbc28f14eb3cf653b3b9f1246ed2 [0,2,0,0,0,0|1,0,0]=3 2918 B13R0.1171 C=CCNC(=O)C(C)OCCCCF 39919d180c2703181f875b9045220817 [0,2,0,0,0,0|2,0,0]=4 2919 B13R0.1171 C=CCNC(=O)C(C)OCCCCS 9b99c6a5a78df8637d50282fc8e95c2a [0,2,0,0,0,0|2,0,0]=4 2920 B13R0.1171 C=CCNC(=O)C(C)OCCCOC de66036fcf090e11d42fff5aa87c72bd [0,2,0,0,0,0|2,0,0]=4 2921 B13R0.1171 C=CCNC(=O)C(C)OCCCSC 7b4c84ecc912790b4bf74f64958b71df [0,2,0,0,0,0|2,0,0]=4 2922 B13R0.1171 C=CCNC(=O)C(C)OCCOCC a7b3906aef4a7ad8cd56e097cb4c421d [0,2,0,0,0,0|2,0,0]=4 2923 B13R0.1171 C=CCNC(=O)C(C)OCCSCC a6d1bb3b2a75b9913996b30ed85885b8 [0,2,0,0,0,0|2,0,0]=4 2924 B13R0.1171 C=CCOC(=O)[C@H](C)NC/C=C/CC 5de0c9441acd4602ee146a8de1e6e89f [0,2,0,0,0,0|0,0,2]=4 2925 B13R0.1171 C=CCOC(=O)[C@H](C)NCC#CCC 91aed73f40861828cfd542e2ff224efa [0,2,0,0,0,0|0,0,2]=4 2926 B13R0.1171 C=CCOC(=O)[C@H](C)NCCCC#N a181321f3aff964aced0961ee6e3104f [0,2,0,0,0,0|1,0,1]=4 2927 B13R0.1171 C=CCOC(=O)[C@H](C)NCCCC=O a07c0e314501a1ac84a183591ebaa039 [0,2,0,0,0,0|1,0,1]=4 2928 B13R0.1171 C=CCOC(=O)[C@H](C)NCCCCC 159155cf13627d4c909a7a78d040409f [0,2,0,0,0,0|0,0,0]=2 2929 B13R0.1171 C=CCOC(=O)[C@H](C)NCCCCF 6a7439c8f86f821cf3baf0e2fe2673ad [0,2,0,0,0,0|1,0,0]=3 2930 B13R0.1171 C=CCOC(=O)[C@H](C)NCCCCO 4ef249a596e745573ba493122f3350fc [0,2,0,0,0,0|1,0,0]=3 2931 B13R0.1171 C=CCOC(=O)[C@H](C)NCCCOC 192d67615eeb315b62e4de7a1ed96d8a [0,2,0,0,0,0|1,0,0]=3 2932 B13R0.1171 C=CCOC(=O)[C@H](C)NCCCSC 02429331247ff69962c11b704a685522 [0,2,0,0,0,0|1,0,0]=3 2933 B13R0.1171 C=CCOC(=O)[C@H](C)NCCOCC e00c058b45855f513bbe4730595421bf [0,2,0,0,0,0|1,0,0]=3 2934 B13R0.1171 C=CCOC(=O)[C@H](C)NCCSCC 30a386859e6292922ada50af128f3398 [0,2,0,0,0,0|1,0,0]=3 2935 B13R0.1171 C=CCSC(C)C(=O)NCCCCC 38a7d746a6f2335826c0ac7b2d618e2b [0,2,0,0,0,0|1,1,0]=4 2936 B13R0.1171 CCCCCCN(C)C(=O)CCC=O b28025a863b443f19a33fc49b8c6f46f [0,2,0,0,0,0|2,0,0]=4 2937 B13R0.1171 CCCCCNC(C)C(=O)OCCC 85aea95be5461fca5683884f77b0d439 [0,2,0,0,0,0|0,0,2]=4 2938 B13R0.1171 CCCCCN[C@@H](C)C(=O)OCCC a121c3836e87e677dbff61d80bd913b8 [0,2,0,0,0,0|0,0,2]=4 2939 B13R0.1171 CCCCCOC(C)C(=O)OCCC 2305bafa98e9edaa202232536c8d3731 [0,2,0,0,0,0|0,0,2]=4 2940 B13R0.1171 CCCCCO[C@@H](C)C(=O)OCCC b59bb8625aba227bdfdf448a0ee5fc1a [0,2,0,0,0,0|0,0,2]=4 2941 B13R0.71 C=CC(C)CC(=O)NCCCC(C)C ec1db325cd13448b75ce4b5bb74fff8f [0,2,0,0,0,0|2,0,0]=4 2942 B13R0.71 C=CC(C)NC(=O)CCCCC(=O)C ad02c7f28f6e3a53f606d8dd46122d10 [0,2,0,0,0,0|1,0,1]=4 2943 B13R0.71 C=CC(C)NC(=O)CCCCC(C)C e8f6c62882a7b0b2f8c25b490029968a [0,2,0,0,0,0|1,0,0]=3 2944 B13R0.71 C=CC(C)NC(=O)CCCCC(F)F 56daf6d2a80ac9b04f27827f66e983d5 [0,2,0,0,0,0|2,0,0]=4 2945 B13R0.71 C=CC(C)NC(=O)CCCCN(C)C 37b2873db2452400d7ccb46fda6ea41e [0,2,0,0,0,0|2,0,0]=4 2946 B13R0.71 C=CC(C)NC(=O)CCCSC(C)C acbd8ed1ac5c15909c3116bcc7e8849a [0,2,0,0,0,0|2,0,0]=4 2947 B13R0.71 C=CC(C)NC(=O)NCCCC(C)C d4f1aa0bb740c12690601ea9fb497521 [0,2,0,0,0,0|2,0,0]=4 2948 B13R0.113 C#CC(C)NCCCC(=O)OCC=C c51ea5fb0391f5f399235c2f5e954180 [0,2,0,0,0,0|1,0,0]=3 2949 B13R0.113 C#CC(C)OCCCC(=O)OCC=C 389615a3e5b543ab166d50b7edb242c4 [0,2,0,0,0,0|1,0,0]=3 2950 B13R0.113 C#C[C@@H](C)NCCCC(=O)OCC=C d77cbc89fe6243dd51db8ee6b6bf35cd [0,2,0,0,0,0|1,0,0]=3 2951 B13R0.113 C#C[C@@H](C)OCCCC(=O)OCC=C af93c406c7def8b2eee8e1c93c5b16bd [0,2,0,0,0,0|1,0,0]=3 2952 B13R0.113 C#C[C@H](C)NCCCC(=O)OCC=C cffac7fcad8661e6b10910d4e3226665 [0,2,0,0,0,0|1,0,0]=3 2953 B13R0.113 C#C[C@H](C)OCCCC(=O)OCC=C 360b9021ad16a7bb405d52c3da23b17a [0,2,0,0,0,0|1,0,0]=3 2954 B13R0.113 C=CCCC(=O)NCCCC(C)CO 9c7d216f1c86ddb5a378be36ff20c978 [0,2,0,0,0,0|2,0,0]=4 2955 B13R0.113 C=CCCC(=O)NCCCN(C)CC 9975da6fa8a3060a14cf7a4228401656 [0,2,0,0,0,0|2,0,0]=4 2956 B13R0.113 C=CCNC(=O)CCNCC(Br)CBr 73a938ad4b9793fd31158f7c055bde76 [0,2,0,0,0,0|2,0,0]=4 2957 B13R0.113 C=CCNC(=O)CCNCC(C)C#N 095c1d17051e21c4875ed299f4db8be8 [0,2,0,0,0,0|2,0,0]=4 2958 B13R0.113 C=CCNC(=O)CCNCC(C)CC 60aaa2229efc45a312b2bc9e8d8d2946 [0,2,0,0,0,0|1,0,0]=3 2959 B13R0.113 C=CCNC(=O)CCNCC(C)CO c5350ecb50484749d26a3fbd30a3b686 [0,2,0,0,0,0|2,0,0]=4 2960 B13R0.113 C=CCNC(=O)CCNCC(F)CO 3dba8e92f3f5f464ffee4667c05108da [0,2,0,0,0,0|2,0,0]=4 2961 B13R0.113 C=CCNC(=O)CCNCC(O)CC af3ecf6d72652b5cdffbcfce076da368 [0,2,0,0,0,0|1,0,0]=3 2962 B13R0.113 C=CCNC(=O)CCNCC(O)CO b156bbb0a2ad4eb8eafacd6226217e47 [0,2,0,0,0,0|2,0,0]=4 2963 B13R0.113 C=CCNC(=O)CCNC[C@@H](C)CC 1588168dd7878187ddb600dea75566a8 [0,2,0,0,0,0|1,0,0]=3 2964 B13R0.113 C=CCNC(=O)CCNC[C@@H](C)OC 650e8e6f3bb336954e25c9cca5fb94e1 [0,2,0,0,0,0|2,0,0]=4 2965 B13R0.113 C=CCNC(=O)CCNC[C@@H](F)CO 89453681a235ca55a8e1caabeacfb967 [0,2,0,0,0,0|2,0,0]=4 2966 B13R0.113 C=CCNC(=O)CCNC[C@@H](O)CO 8701e1ee45eabd88ea4c28d21b2c7d87 [0,2,0,0,0,0|2,0,0]=4 2967 B13R0.113 C=CCNC(=O)CCNC[C@H](C)CO 4605ed20d97c6b4cc42c9d8176629839 [0,2,0,0,0,0|2,0,0]=4 2968 B13R0.113 C=CCNC(=O)CCNC[C@H](C)OC cbca5d58c5fc8f81b92f184d2aca7854 [0,2,0,0,0,0|2,0,0]=4 2969 B13R0.113 C=CCNC(=O)CCNC[C@H](F)CO 9349e7f8a9b285ef46d79a4f46e76a6f [0,2,0,0,0,0|2,0,0]=4 2970 B13R0.113 C=CCNC(=O)CCNC[C@H](O)CC 8d9cd967b1533b7ab431f70fa718d6c1 [0,2,0,0,0,0|1,0,0]=3 2971 B13R0.113 C=CCNC(=O)CCNC[C@H](O)CO f5da3957a83f6afa7110b17b702a3716 [0,2,0,0,0,0|2,0,0]=4 2972 B13R0.113 C=CCNC(=O)CCOCC(=O)CC 7bbf38f79cf84adc335f1253f49a7d19 [0,2,0,0,0,0|1,0,1]=4 2973 B13R0.113 C=CCNC(=O)CCOCC(Br)CBr 528d03a855f0366c1e45f5f7d2115d52 [0,2,0,0,0,0|2,0,0]=4 2974 B13R0.113 C=CCNC(=O)CCOCC(C)C#N aba7c54cc7d030ebeb6b3864b77f28c3 [0,2,0,0,0,0|2,0,0]=4 2975 B13R0.113 C=CCNC(=O)CCOCC(C)C=C a8fed01af41604d82cf1a86e7a2c2c13 [0,2,0,0,0,0|2,0,0]=4 2976 B13R0.113 C=CCNC(=O)CCOCC(C)CC d2fb1bf40cdbe3a251a7afad66a76bf2 [0,2,0,0,0,0|1,0,0]=3 2977 B13R0.113 C=CCNC(=O)CCOCC(C)OC 97452406bab72b3a9c25921b40b592e1 [0,2,0,0,0,0|2,0,0]=4 2978 B13R0.113 C=CCNC(=O)CCOCC(Cl)CCl b87fde46b56c78c8ebd4c96085d685e6 [0,2,0,0,0,0|2,0,0]=4 2979 B13R0.113 C=CCNC(=O)CCOCC(S)CS d3955e2f2bb6fadb136b833107aa3f23 [0,2,0,0,0,0|2,0,0]=4 2980 B13R0.113 C=CCNC(=O)CCOC[C@@H](C)CC 2a72a237be34ab51c2b6d0d2d43bc7cf [0,2,0,0,0,0|1,0,0]=3 2981 B13R0.113 C=CCNC(=O)CCOC[C@@H](C)OC 0547e78aad5aa0feae16251c6e130944 [0,2,0,0,0,0|2,0,0]=4 2982 B13R0.113 C=CCNC(=O)CCOC[C@H](C)CC 8b68e18d075b3929cef6bc7d665eaec7 [0,2,0,0,0,0|1,0,0]=3 2983 B13R0.113 C=CCNC(=O)CCOC[C@H](C)OC 2e595622534f75833330c04465ed47b5 [0,2,0,0,0,0|2,0,0]=4 2984 B13R0.113 C=CCNC(=O)CNCCC(C)CC 7acc9bd39bc9ad4b72f9f6ceab875f81 [0,2,0,0,0,0|1,0,0]=3 2985 B13R0.113 C=CCNC(=O)CNCCC(C)CO 4963e934c2a26562925b5c545cb571eb [0,2,0,0,0,0|2,0,0]=4 2986 B13R0.113 C=CCNC(=O)CNCCC(O)CO d6a3da9e97b065a033cffc5794a8ded1 [0,2,0,0,0,0|2,0,0]=4 2987 B13R0.113 C=CCNC(=O)CNCC[C@@H](C)CO 48ea43ffed3da1845cba92de5c9762ac [0,2,0,0,0,0|2,0,0]=4 2988 B13R0.113 C=CCNC(=O)COCCC(C)CC 9946a91ebe63f01645948216e2a122b4 [0,2,0,0,0,0|1,0,0]=3 2989 B13R0.113 C=CCNC(=O)COCCC(C)OC c984324e4bc5fdb880ba20f7ba401e6c [0,2,0,0,0,0|2,0,0]=4 2990 B13R0.113 C=CCNC(=O)COCCC(S)CC b971860ed709a6c878adbb51fbef58e2 [0,2,0,0,0,0|1,0,0]=3 2991 B13R0.113 C=CCNC(=O)COCCS(=O)CC 3dcfea8743d0a4a0fbbbd31972725a25 [0,2,0,0,0,0|2,0,0]=4 2992 B13R0.113 C=CCNC(=O)COCC[C@@H](C)CC a868b9a59ba2fee7a92ae486f121c4ef [0,2,0,0,0,0|1,0,0]=3 2993 B13R0.113 C=CCOC(=O)CCCNC(C)C#N 9bcff0d00f08aaeda9a13c66cad4ca15 [0,2,0,0,0,0|1,0,0]=3 2994 B13R0.113 C=CCOC(=O)CCCNC(C)C=C 559da49a76233afab688e5e931da58a4 [0,2,0,0,0,0|1,0,0]=3 2995 B13R0.113 C=CCOC(=O)CCCNC(C)CC 071037e6f02075f0769ae8174446c42b [0,2,0,0,0,0|0,0,0]=2 2996 B13R0.113 C=CCOC(=O)CCCNC(C)CO 0239420c6a73d86e233dfb491202dcf5 [0,2,0,0,0,0|1,0,0]=3 2997 B13R0.113 C=CCOC(=O)CCCN[C@@H](C)CC 000a5d87c50dcb52cbf07012fa9452af [0,2,0,0,0,0|0,0,0]=2 2998 B13R0.113 C=CCOC(=O)CCCN[C@@H](C)CO 2e074e92a558b5571b7708ad18cb04b7 [0,2,0,0,0,0|1,0,0]=3 2999 B13R0.113 C=CCOC(=O)CCCN[C@H](C)CC 67d84369598f70cee5b3433d5964a493 [0,2,0,0,0,0|0,0,0]=2 3000 B13R0.113 C=CCOC(=O)CCCN[C@H](C)CO bf43e6d42fcc63759ac2434dc359c910 [0,2,0,0,0,0|1,0,0]=3 3001 B13R0.113 C=CCOC(=O)CCCOC(C)C=C 7ef486cce5ba29e5bbc32e2b5ee63589 [0,2,0,0,0,0|1,0,0]=3 3002 B13R0.113 C=CCOC(=O)CCCOC(C)C=O 702be71e21fbf0584fd1d05bc153253b [0,2,0,0,0,0|1,0,0]=3 3003 B13R0.113 C=CCOC(=O)CCCOC(C)CC 5e1a7cb83d0e8d8412fe3a7c066d1752 [0,2,0,0,0,0|0,0,0]=2 3004 B13R0.113 C=CCOC(=O)CCCOC(C)CF 3d11d5f5ff817dedb6ed2589f45dd886 [0,2,0,0,0,0|1,0,0]=3 3005 B13R0.113 C=CCOC(=O)CCCOC(C)CS 8f9232ccc99085166ad66665415ee605 [0,2,0,0,0,0|1,0,0]=3 3006 B13R0.113 C=CCOC(=O)CCCO[C@@H](C)C=C 201de0d94980818fae6ce7432b580f64 [0,2,0,0,0,0|1,0,0]=3 3007 B13R0.113 C=CCOC(=O)CCCO[C@@H](C)CC a0d962ca63ad763736ddd52195ae14b6 [0,2,0,0,0,0|0,0,0]=2 3008 B13R0.113 C=CCOC(=O)CCCO[C@H](C)CC e007495de409d865341e6242e46b873a [0,2,0,0,0,0|0,0,0]=2 3009 B13R0.113 C=CCOC(=O)CCCO[C@H](C)CS 9a4dd6912ac819e488fdec57e8ec24ae [0,2,0,0,0,0|1,0,0]=3 3010 B13R0.113 C=CCOC(=O)CNCCC(=O)NC b99658fd4ec64fdb07fcab1377df6505 [0,2,0,0,0,0|1,0,1]=4 3011 B13R0.113 C=CCOC(=O)CNCCC(=O)OC 8ef42130ff100701b1b724661fa744bc [0,2,0,0,0,0|1,0,1]=4 3012 B13R0.113 C=CCOC(=O)CNCCC(C)CC 27a103574d283cfe299b4dfd7d25e6c1 [0,2,0,0,0,0|0,0,0]=2 3013 B13R0.113 C=CCOC(=O)CNCCC(C)CO db01b7dec561df6da8a80d4ea1568c98 [0,2,0,0,0,0|1,0,0]=3 3014 B13R0.113 C=CCOC(=O)CNCCC(O)CO 01421600924c3a1efde8cc99c60e0a86 [0,2,0,0,0,0|1,0,0]=3 3015 B13R0.113 C=CCOC(=O)CNCC[C@@H](C)CO f75d4e4eadeb0d49e2458ddfd3059414 [0,2,0,0,0,0|1,0,0]=3 3016 B13R0.113 C=CCOC(=O)COCCC(=O)NC 073f5e1e62c23f7ebf51ccdf718d5931 [0,2,0,0,0,0|1,0,1]=4 3017 B13R0.113 C=CCOC(=O)COCCC(=O)OC 2f78280b499e247cd39c6217edd5fa8d [0,2,0,0,0,0|1,0,1]=4 3018 B13R0.113 C=CCOC(=O)COCCC(C)CC cd3db5f320d9468f8a9d2cbda929fb56 [0,2,0,0,0,0|0,0,0]=2 3019 B13R0.113 C=CCOC(=O)COCCC(C)OC 85b0358efee50f7e6d1b76600b742b9c [0,2,0,0,0,0|1,0,0]=3 3020 B13R0.113 C=CCOC(=O)COCCC(S)CC 1e5b3f21f871dd1cf542ec2ebe1872d7 [0,2,0,0,0,0|0,0,0]=2 3021 B13R0.113 C=CCOC(=O)COCCN(C)C#N b0302c8594fbf280a96c471702f606cb [0,2,0,0,0,0|2,0,0]=4 3022 B13R0.113 C=CCOC(=O)COCCN(C)C=O df9557beba4510015c060c4c843038ee [0,2,0,0,0,0|2,0,0]=4 3023 B13R0.113 C=CCOC(=O)COCC[C@@H](C)CC c26a5d33a76c207b4ef310e4793fcd6a [0,2,0,0,0,0|0,0,0]=2 3024 B13R0.113 CCCOC(=O)CCOCC(C)CC ae57cd615b928df7f90582c65fa77c29 [0,2,0,0,0,0|0,0,2]=4 3025 B13R0.113 CCCOC(=O)CCOC[C@@H](C)CC 5c9d5937cf295bde9faf0581ea6653be [0,2,0,0,0,0|0,0,2]=4 3026 B13R0.113 CCCOC(=O)CCOC[C@H](C)CC 389d00518eba6a8269dd68aa28962d57 [0,2,0,0,0,0|0,0,2]=4 3027 B13R0.113 CCCOC(=O)CNCCC(C)CC 932f043bf1c8ada504cd582053b02b76 [0,2,0,0,0,0|0,0,2]=4 3028 B13R0.113 CCCOC(=O)COCCC(C)CC 34d20a4116cc45506018a7314eb026ba [0,2,0,0,0,0|0,0,2]=4 3029 B13R0.113 CCCOC(=O)COCCC(S)CC 6de645b30ab09fc0daaf38b072f1cbcb [0,2,0,0,0,0|0,0,2]=4 3030 B13R0.113 CCCOC(=O)COCC[C@@H](C)CC 3e8658baa8d8795575504dc6241cdc01 [0,2,0,0,0,0|0,0,2]=4 3031 B13R0.115 C=CCCC(=O)NCC(O)CC(C)C dc5d933c62264a2b7649fdb5ec9b2acc [0,2,0,0,0,0|2,0,0]=4 3032 B13R0.115 C=CCNC(=O)CCN(C)CC(C)C 595faf4d808510feba31dace778e9fb3 [0,2,0,0,0,0|2,0,0]=4 3033 B13R0.115 C=CCNC(=O)CCN(C)CC(C)O e38ced3648b21dddb2cf953cf2711ef6 [0,2,0,0,0,0|2,0,0]=4 3034 B13R0.115 C=CCNC(=O)CCN(C)C[C@H](C)O e8bdf87a92055c85999a0057aeaa9846 [0,2,0,0,0,0|2,0,0]=4 3035 B13R0.115 C=CCNC(=O)CNC(C)CC(C)C 4358d6f5f095c1437c85d6d807c19764 [0,2,0,0,0,0|2,0,0]=4 3036 B13R0.115 C=CCNC(=O)CNC(C)CC(C)O e9e70bf1c53e86d5960bd94a64a29323 [0,2,0,0,0,0|2,0,0]=4 3037 B13R0.115 C=CCNC(=O)COC(C)CC(C)C 9b3021dd9e31844ca521177aa58abf98 [0,2,0,0,0,0|2,0,0]=4 3038 B13R0.115 C=CCNC(=O)CO[C@@H](C)CC(C)C 19e0d245e747a5110bedf8834a192fb2 [0,2,0,0,0,0|2,0,0]=4 3039 B13R0.115 C=CCNC(=O)CO[C@H](C)CC(C)C 1c298dbaa9d89cfabf824260c4e4b019 [0,2,0,0,0,0|2,0,0]=4 3040 B13R0.115 C=CCOC(=O)CNC(C)CC(C)C 6d3bcfdaa32b56647a0a96f7b5a3f7f0 [0,2,0,0,0,0|1,0,0]=3 3041 B13R0.115 C=CCOC(=O)CNC(C)CC(C)O 802f45f93bf0a3013ecbcb473923a690 [0,2,0,0,0,0|1,0,0]=3 3042 B13R0.115 C=CCOC(=O)CNC(C)CN(C)C f2f202cdb74a47c0c4749fead64c1233 [0,2,0,0,0,0|2,0,0]=4 3043 B13R0.115 C=CCOC(=O)CN[C@@H](C)CN(C)C a4b35d5b7f1768abd97529b63e13d675 [0,2,0,0,0,0|2,0,0]=4 3044 B13R0.115 C=CCOC(=O)CN[C@H](C)CN(C)C 6a63249cafd55ca4552e84f9e682a280 [0,2,0,0,0,0|2,0,0]=4 3045 B13R0.115 C=CCOC(=O)COC(C)CC(C)C c03d7a2cfeb279dd1bfba3939327c53d [0,2,0,0,0,0|1,0,0]=3 3046 B13R0.115 C=CCOC(=O)COC(C)CN(C)C 8f1f9229922b3bd004e18f6d8db820d5 [0,2,0,0,0,0|2,0,0]=4 3047 B13R0.115 C=CCOC(=O)CO[C@@H](C)CC(C)C 66bca3130b6a93f9f213c09df013b3c0 [0,2,0,0,0,0|1,0,0]=3 3048 B13R0.115 C=CCOC(=O)CO[C@@H](C)CN(C)C 35920cfe4a2353cde855c36c01d2213e [0,2,0,0,0,0|2,0,0]=4 3049 B13R0.115 C=CCOC(=O)CO[C@H](C)CC(C)C 7bee91b9d3be6a6b6a6a92a0795dfae8 [0,2,0,0,0,0|1,0,0]=3 3050 B13R0.115 C=CCOC(=O)CO[C@H](C)CN(C)C f5b1ea196d09e3220e831319ecfcf64e [0,2,0,0,0,0|2,0,0]=4 3051 B13R0.117 C=CCNC(=O)CCNC(C)C(C)C 1b0fcd6bfab02587758f6fbadf004e68 [0,2,0,0,0,0|2,0,0]=4 3052 B13R0.117 C=CCNC(=O)CCNC(C)C(C)O f30461c7e3b831fb4360fd615c6c0247 [0,2,0,0,0,0|2,0,0]=4 3053 B13R0.117 C=CCNC(=O)CCN[C@@H](C)C(C)C 88a6cada62f98416be37934a28e1af2b [0,2,0,0,0,0|2,0,0]=4 3054 B13R0.117 C=CCNC(=O)CCN[C@H](C)C(C)C 35b811f64ff0e397d30a35fe7b06a71b [0,2,0,0,0,0|2,0,0]=4 3055 B13R0.117 C=CCNC(=O)CCOC(C)C(C)C bd5c56cad57b757c619566238e0e10f1 [0,2,0,0,0,0|2,0,0]=4 3056 B13R0.117 C=CCNC(=O)CCOC(C)C(C)S 5568ce7538b8f4adceb689d78f3ebc52 [0,2,0,0,0,0|2,0,0]=4 3057 B13R0.117 C=CCNC(=O)CCO[C@@H](C)C(C)C 1219dfb37ee270be1234a61a50752c1e [0,2,0,0,0,0|2,0,0]=4 3058 B13R0.117 C=CCNC(=O)CCO[C@H](C)C(C)C 4607f65b0daf4e8f74351fb58ba28239 [0,2,0,0,0,0|2,0,0]=4 3059 B13R0.117 C=CCNC(=O)CNCC(O)C(C)C f963f370cd6c4ded6b5a48d56f9344d3 [0,2,0,0,0,0|2,0,0]=4 3060 B13R0.117 C=CCNC(=O)COCC(C)C(C)C c77421acb3decff2581e7eac7d97d763 [0,2,0,0,0,0|2,0,0]=4 3061 B13R0.117 C=CCOC(=O)CCCN(C)C(C)C c691dc9860989e032f3f4064e384a9bc [0,2,0,0,0,0|1,0,0]=3 3062 B13R0.117 C=CCOC(=O)CNCC(C)N(C)C 782118a70cba3faefd9a0676930dfe18 [0,2,0,0,0,0|2,0,0]=4 3063 B13R0.117 C=CCOC(=O)CNCC(O)C(C)C 435173857555e501586d6f7816913d94 [0,2,0,0,0,0|1,0,0]=3 3064 B13R0.117 C=CCOC(=O)CNCC(O)C(F)F 1eb6b000043c54dcfd6dd5865b4c1ccb [0,2,0,0,0,0|2,0,0]=4 3065 B13R0.117 C=CCOC(=O)COCC(C)C(=O)C ea2944ce9c7b19b4cf82462ed72faaaa [0,2,0,0,0,0|1,0,1]=4 3066 B13R0.117 C=CCOC(=O)COCC(C)C(C)C 1d735c91223d5fe846af03dea89268f7 [0,2,0,0,0,0|1,0,0]=3 3067 B13R0.117 C=CCOC(=O)COCC(C)N(C)C d13b99617ea8a4eedf861239b3f08c77 [0,2,0,0,0,0|2,0,0]=4 3068 B13R0.117 C=CCOC(=O)COC[C@@H](C)N(C)C 90dddc2dbf8a89d17bd58d5a39f39427 [0,2,0,0,0,0|2,0,0]=4 3069 B13R0.117 C=CCOC(=O)COC[C@H](C)N(C)C ef81164fc682d5e0ac3b6f67e13ad910 [0,2,0,0,0,0|2,0,0]=4 3070 B13R0.124 C=CCCC(=O)NCCCC(C)(C)C ef70890666f070a69265322b6cf8d463 [0,2,0,0,0,0|2,0,0]=4 3071 B13R0.124 C=CCCC(=O)NCCCC(C)(C)O 6d57ebd08afd17ee6c99a001ff5d8c98 [0,2,0,0,0,0|2,0,0]=4 3072 B13R0.124 C=CCNC(=O)CCNCC(C)(C)C cbb5524b22823bdc438eeecd018174ee [0,2,0,0,0,0|2,0,0]=4 3073 B13R0.124 C=CCNC(=O)CCNCC(C)(C)O ec4a1e20e12a6e9d05959deaff62823d [0,2,0,0,0,0|2,0,0]=4 3074 B13R0.124 C=CCNC(=O)CCNCC(C)(F)F a1fbb97c3b456c43b7e892be72eb8d2e [0,2,0,0,0,0|2,0,0]=4 3075 B13R0.124 C=CCNC(=O)CCOCC(C)(C)Br 44a6e03a6cee31c54d2ac7d27f6fb16e [0,2,0,0,0,0|2,0,0]=4 3076 B13R0.124 C=CCNC(=O)CCOCC(C)(C)C 26245b394784295bb9339c55f3f3411d [0,2,0,0,0,0|2,0,0]=4 3077 B13R0.124 C=CCNC(=O)CCOCC(C)(C)F 0c884984328fc870b8662be6cd590793 [0,2,0,0,0,0|2,0,0]=4 3078 B13R0.124 C=CCNC(=O)CCOCC(C)(C)S b23771bd9e848cbb3f0174f4c2be64da [0,2,0,0,0,0|2,0,0]=4 3079 B13R0.124 C=CCNC(=O)CCOCC(C)(F)F 2e28d7b8ce7868b3b05a4936553505cb [0,2,0,0,0,0|2,0,0]=4 3080 B13R0.124 C=CCNC(=O)CNCCC(C)(C)C 548b5f0ceb39576853532d620e296e5b [0,2,0,0,0,0|2,0,0]=4 3081 B13R0.124 C=CCNC(=O)CNCCC(C)(C)F 8a18b8ab528b0b0f3eefda1376f81761 [0,2,0,0,0,0|2,0,0]=4 3082 B13R0.124 C=CCNC(=O)CNCCC(C)(C)O a48da6a008644c2f44baaace80451dc5 [0,2,0,0,0,0|2,0,0]=4 3083 B13R0.124 C=CCNC(=O)COCCC(C)(C)C 1620c9fa98001cd31910fd7856162f0e [0,2,0,0,0,0|2,0,0]=4 3084 B13R0.124 C=CCNC(=O)COCCC(C)(C)O 7479a18657960dd912a1f9764c26638f [0,2,0,0,0,0|2,0,0]=4 3085 B13R0.124 C=CCNC(=O)COCCC(C)(C)S 66f60fda8ee7f810ebddafdbaa4895da [0,2,0,0,0,0|2,0,0]=4 3086 B13R0.124 C=CCNC(=O)COCCC(C)(F)F 615e6233b5a35d4eca4b53aa496299be [0,2,0,0,0,0|2,0,0]=4 3087 B13R0.124 C=CCOC(=O)CCCNC(C)(C)C 9362a77f94524980a6eea8b67e0865ad [0,2,0,0,0,0|1,0,0]=3 3088 B13R0.124 C=CCOC(=O)CNCCC(C)(C)C e70fdaec727ce4e6f400f4f07d4747b6 [0,2,0,0,0,0|1,0,0]=3 3089 B13R0.124 C=CCOC(=O)CNCCC(C)(C)F 3b94f1944c75ceb17936a07bf768dadf [0,2,0,0,0,0|1,0,0]=3 3090 B13R0.124 C=CCOC(=O)CNCCC(C)(C)O 71ccd1b268e427412c5b67f9a1f6f6ad [0,2,0,0,0,0|1,0,0]=3 3091 B13R0.124 C=CCOC(=O)CNCCC(F)(F)F 4230f777fbaec7376cc8a55b0b135f59 [0,2,0,0,0,0|2,0,0]=4 3092 B13R0.124 C=CCOC(=O)CNCCS(=O)(=O)C 645527e128bf1d6ffa6bc1ef20e6f0f0 [0,2,0,0,0,0|2,0,0]=4 3093 B13R0.124 C=CCOC(=O)COCCC(C)(C)C ae1e38b15c5a86232d83046d4a610667 [0,2,0,0,0,0|1,0,0]=3 3094 B13R0.124 C=CCOC(=O)COCCC(C)(C)S 35a910cdc9e87fba680c91da4d8817c6 [0,2,0,0,0,0|1,0,0]=3 3095 B13R0.124 C=CCOC(=O)COCCC(C)(F)F 52fb3ecaeb3a39ce12d07a96a74c68ff [0,2,0,0,0,0|1,0,0]=3 3096 B13R0.124 C=CCOC(=O)COCCC(F)(F)F ed4d6d6d264a98e165dc7b65fe10b478 [0,2,0,0,0,0|2,0,0]=4 3097 B13R0.124 C=CCOC(=O)COCCS(=N)(=O)C 7d9d305ce734ea05e0dd59528a29da05 [0,2,0,0,0,0|2,0,0]=4 3098 B13R0.124 C=CCOC(=O)COCCS(=O)(=O)C b10a06045bc6db97d00a81b0a4aeeeb8 [0,2,0,0,0,0|2,0,0]=4 3099 B13R0.172 C=C(Br)CNC(=O)CC(C)CCCC 908eebe48bc1588915de561260fc441f [0,2,0,0,0,0|1,0,0]=3 3100 B13R0.172 C=C(Br)CNC(=O)CC(O)CCCC 4b02a456aa8cb6d210b9f65927b4213e [0,2,0,0,0,0|1,0,0]=3 3101 B13R0.172 C=C(Br)CNC(=O)C[C@@H](C)CCCC 98e86bf61f846247081e83f237509acc [0,2,0,0,0,0|1,0,0]=3 3102 B13R0.172 C=C(Br)CNC(=O)C[C@H](C)CCCC f60b3a10d1d178aaa12215963b7bdfd9 [0,2,0,0,0,0|1,0,0]=3 3103 B13R0.172 C=C(Br)CNC(=O)NC(C)CCCC f26158750350dfb44ba8d42a2e3ccb06 [0,2,0,0,0,0|2,0,0]=4 3104 B13R0.172 C=C(Br)CNC(=O)N[C@H](C)CCCC 7520887e8d387a064dd1422cd0fde0f6 [0,2,0,0,0,0|2,0,0]=4 3105 B13R0.172 C=C(C)CCC(=O)NC(C)CCCC e8d024811d3b0206e971200577fab5a6 [0,2,0,0,0,0|2,0,0]=4 3106 B13R0.172 C=C(C)CCC(=O)N[C@H](C)CCCC 2b3a223a800bf8d6cd80659cd6b67669 [0,2,0,0,0,0|2,0,0]=4 3107 B13R0.172 C=C(C)CNC(=O)CC(C)CCCC 8296f1c2038d9c9f2cd15c9b9e8e5475 [0,2,0,0,0,0|1,0,0]=3 3108 B13R0.172 C=C(C)CNC(=O)CC(O)CCCC 173a96f0a95f2c73da3f15fad6e5cdb5 [0,2,0,0,0,0|1,0,0]=3 3109 B13R0.172 C=C(C)CNC(=O)C[C@@H](C)CCCC 0c9fbd3bef26523bfd762ab23601ef9c [0,2,0,0,0,0|1,0,0]=3 3110 B13R0.172 C=C(C)CNC(=O)C[C@H](C)CCCC f57879807c87cd86c7a9e1b2c703dcc5 [0,2,0,0,0,0|1,0,0]=3 3111 B13R0.172 C=C(C)CNC(=O)NC(C)CCCC 5ae8f1b65f8e60f0a44d4a3b90c2d722 [0,2,0,0,0,0|2,0,0]=4 3112 B13R0.172 C=C(C)CNC(=O)N[C@H](C)CCCC a11511d8aaf1989cda3d06ddb00c3d6a [0,2,0,0,0,0|2,0,0]=4 3113 B13R0.172 C=CCCC(=O)NC(C)CCC(C)C 167a46917dbe1dcd4c39868707d003ab [0,2,0,0,0,0|2,0,0]=4 3114 B13R0.172 C=CCNC(=O)CN(C)CCC(C)C 24e699cf8537073c3379714c9452b1e6 [0,2,0,0,0,0|2,0,0]=4 3115 B13R0.172 C=CCNC(=O)CN(C)CCC(C)O 4779e5a1e172d3a885ed67154a0d545a [0,2,0,0,0,0|2,0,0]=4 3116 B13R0.172 C=CCOC(=O)CN(C)CCC(C)C bf7c5077acaa21cb433b00f1bdf9b0ae [0,2,0,0,0,0|1,0,0]=3 3117 B13R0.172 C=CCOC(=O)CN(C)CCC(C)O 73843b387c61e2801f18c70fa34e51a1 [0,2,0,0,0,0|1,0,0]=3 3118 B13R0.172 C=CCOC(=O)CN(C)CCC(F)F c7d5c137732b4e692475e1f68bbae949 [0,2,0,0,0,0|2,0,0]=4 3119 B13R0.172 C=CCOC(=O)CN(C)CCN(C)C d399173374fb4fcfb83af11057977e46 [0,2,0,0,0,0|2,0,0]=4 3120 B13R0.172 CCCCC(C)CC(=O)NCC(=O)C c03a8f833c2a8f6f3f422d540105ba67 [0,2,0,0,0,0|1,0,1]=4 3121 B13R0.172 CCCCC(C)CC(=O)NCC(=O)N 7c36ad5f4e1210bd4356f7b4b1909658 [0,2,0,0,0,0|2,0,0]=4 3122 B13R0.172 CCCCC(O)CC(=O)NCC(=O)C 50bac373283b713474bde67ad6290719 [0,2,0,0,0,0|1,0,1]=4 3123 B13R0.172 CCCCC(O)CC(=O)NCC(=O)N 2a21a447aa4e3ebf8699429f9cb81020 [0,2,0,0,0,0|2,0,0]=4 3124 B13R0.172 CCCC[C@@H](C)CC(=O)NCC(=O)C 8db1c4122f8e2655377c8ba4457fdc78 [0,2,0,0,0,0|1,0,1]=4 3125 B13R0.172 CCCC[C@@H](C)CC(=O)NCC(=O)N 1de1f618d6f2a0f1fbf7eb51f2d2e2a3 [0,2,0,0,0,0|2,0,0]=4 3126 B13R0.172 CCCC[C@H](C)CC(=O)NCC(=O)C 9a467698627f9d3edb21a1d35c3a45a8 [0,2,0,0,0,0|1,0,1]=4 3127 B13R0.172 CCCC[C@H](C)CC(=O)NCC(=O)N 6e99b1be5ddce9ac758aad9f610ff263 [0,2,0,0,0,0|2,0,0]=4 3128 B13R0.182 C=C(Br)CNC(=O)CCCCC(=O)C 6baaa74121e9be607bea5172e67ade93 [0,2,0,0,0,0|1,0,1]=4 3129 B13R0.182 C=C(Br)CNC(=O)CCCCC(C)C b9b535660a28d52da84fabea77d56f01 [0,2,0,0,0,0|1,0,0]=3 3130 B13R0.182 C=C(Br)CNC(=O)CCCCC(F)F ceecf5c59da745054fca4d1d62baee1b [0,2,0,0,0,0|2,0,0]=4 3131 B13R0.182 C=C(Br)CNC(=O)CCCCN(C)C ca685d96e446a8022cae885c7f1ee2bb [0,2,0,0,0,0|2,0,0]=4 3132 B13R0.182 C=C(Br)CNC(=O)CCCSC(C)C 461bc4fbbd1ea01b2edcc725d92fe6a8 [0,2,0,0,0,0|2,0,0]=4 3133 B13R0.182 C=C(Br)CNC(=O)NCCCC(C)C 9ccb14e815e7f10501242487a815be21 [0,2,0,0,0,0|2,0,0]=4 3134 B13R0.182 C=C(C)CCC(=O)NCCCC(C)C 020943e46de2d8cf4a865428a60d8d24 [0,2,0,0,0,0|2,0,0]=4 3135 B13R0.182 C=C(C)CNC(=O)CCCCC(=O)C 817ed59356d3d6e80332ad3d2a1740a5 [0,2,0,0,0,0|1,0,1]=4 3136 B13R0.182 C=C(C)CNC(=O)CCCCC(C)C 7158787fe3046bfcfd1365eeec8c3b1d [0,2,0,0,0,0|1,0,0]=3 3137 B13R0.182 C=C(C)CNC(=O)CCCCC(F)F 5ba448fffd21249eb070b6dd62bed5fd [0,2,0,0,0,0|2,0,0]=4 3138 B13R0.182 C=C(C)CNC(=O)CCCCN(C)C ac63abf4ccb61796eb443ef41d50770c [0,2,0,0,0,0|2,0,0]=4 3139 B13R0.182 C=C(C)CNC(=O)CCCSC(C)C badc2c2520bed0dbad69ad194f1bea97 [0,2,0,0,0,0|2,0,0]=4 3140 B13R0.182 C=C(C)CNC(=O)NCCCC(C)C bc00cfee224a8c209cc6c9e40577e928 [0,2,0,0,0,0|2,0,0]=4 3141 B13R0.182 CC(=O)CNC(=O)CCCCC(C)C b949a5277af6c20c6f53cc4776b617ed [0,2,0,0,0,0|1,0,1]=4 3142 B13R0.182 CC(C)CCCCC(=O)NCC(=O)N 7216bf92127ed05808db04538a466813 [0,2,0,0,0,0|2,0,0]=4 3143 B13R0.261 C=CCN(C)C(=O)CCCCC(=O)C d28e0d722e5a1a322865e4e3f6d8b3fe [0,2,0,0,0,0|1,0,1]=4 3144 B13R0.261 C=CCN(C)C(=O)CCCCC(C)C ea726652c99274e3321d8c71c6d955c7 [0,2,0,0,0,0|1,0,0]=3 3145 B13R0.261 C=CCN(C)C(=O)CCCCC(F)F c3a1a16628b27ca9f809f2ea1c41503c [0,2,0,0,0,0|2,0,0]=4 3146 B13R0.261 C=CCN(C)C(=O)CCCCN(C)C 21abfc8349767321380f7e60de0b2d51 [0,2,0,0,0,0|2,0,0]=4 3147 B13R0.261 C=CCN(C)C(=O)CCCSC(C)C ed5b2fbc368523bd9a460882d30d099b [0,2,0,0,0,0|2,0,0]=4 3148 B13R0.261 C=CCN(C)C(=O)NCCCC(C)C 6bc3328c271a85732b31e8f25bdfd332 [0,2,0,0,0,0|2,0,0]=4 3149 B13R0.345 C=CCNC(=O)C(C)NCCC(C)C 91f91857f5a7b7b2cbeeb810149cbb14 [0,2,0,0,0,0|2,0,0]=4 3150 B13R0.345 C=CCNC(=O)C(C)NCCC(C)O 608c1308b1981bbac1bbd2be363af936 [0,2,0,0,0,0|2,0,0]=4 3151 B13R0.345 C=CCNC(=O)C(C)NCC[C@@H](C)O a0691e53a8b8d10ea77e404bf54a2f54 [0,2,0,0,0,0|2,0,0]=4 3152 B13R0.345 C=CCNC(=O)C(C)NCC[C@H](C)O ccaf1be28d76d464834731cca2029fb3 [0,2,0,0,0,0|2,0,0]=4 3153 B13R0.345 C=CCNC(=O)C(C)OCCC(C)C 48fe05e21353b4eabd41ebf4f4e7184c [0,2,0,0,0,0|2,0,0]=4 3154 B13R0.345 C=CCOC(=O)[C@H](C)NCCC(=C)C 22541e05bccd1f09779d002d09ebb679 [0,2,0,0,0,0|1,0,1]=4 3155 B13R0.345 C=CCOC(=O)[C@H](C)NCCC(=O)C f6f798c68600504aa05867f09775311a [0,2,0,0,0,0|1,0,1]=4 3156 B13R0.345 C=CCOC(=O)[C@H](C)NCCC(C)C e95a42188844b4ebb58bc4e5c9782250 [0,2,0,0,0,0|1,0,0]=3 3157 B13R0.345 C=CCOC(=O)[C@H](C)NCCC(C)O 0fb94366db40787a1968c82a1956c13b [0,2,0,0,0,0|1,0,0]=3 3158 B13R0.345 C=CCOC(=O)[C@H](C)NCCN(C)C 24e1721a452e70ada844de93f69ea426 [0,2,0,0,0,0|2,0,0]=4 3159 B13R0.345 C=CCOC(=O)[C@H](C)NCCS(=O)C 6338e7fad0ddd8c40ea6e84683c2a9cf [0,2,0,0,0,0|2,0,0]=4 3160 B13R0.345 C=CCOC(=O)[C@H](C)NCOC(C)C e2133b44fb4f5b5a12fcd9fe3219358d [0,2,0,0,0,0|2,0,0]=4 3161 B13R0.17 C=CC(C)CC(=O)NCC(O)CCC 789351935992ac80966894a5d7a5779c [0,2,0,0,0,0|2,0,0]=4 3162 B13R0.17 C=CC(C)NC(=O)CCC(=O)CCC 15a20bd6b8975ccf993633fc2cb153e5 [0,2,0,0,0,0|1,0,1]=4 3163 B13R0.17 C=CC(C)NC(=O)CC[C@H](C)CCC 79f52370d411139e3a60dd3fd016b556 [0,2,0,0,0,0|1,0,0]=3 3164 B13R0.17 C=CC(C)NC(=O)NCC(O)CCC d0833249a67253e46d2b4582b5d87f9b [0,2,0,0,0,0|2,0,0]=4 3165 B13R0.18 C=CCN(C)C(=O)CCC(=O)CCC 48aba677711871d034a3e41741441383 [0,2,0,0,0,0|1,0,1]=4 3166 B13R0.18 C=CCN(C)C(=O)CC[C@H](C)CCC 9511c77db5cbe5370fc5edf6803fec9b [0,2,0,0,0,0|1,0,0]=3 3167 B13R0.18 C=CCN(C)C(=O)NCC(O)CCC 04881c228ab0bf6807ea4822469d6d38 [0,2,0,0,0,0|2,0,0]=4 3168 B13R0.39 C=CCNC(=O)C(C)NC(C)CCC da8f8d4cf1fa89330a0bddebc46d801b [0,2,0,0,0,0|2,0,0]=4 3169 B13R0.39 C=CCNC(=O)C(C)N[C@@H](C)CCC 6cb6968c507a549125376bdfe61d3a9a [0,2,0,0,0,0|2,0,0]=4 3170 B13R0.39 C=CCNC(=O)C(C)OC(C)CCC ec78709c8730c3671ffc9501b2e96259 [0,2,0,0,0,0|2,0,0]=4 3171 B13R0.39 C=CCNC(=O)C(C)O[C@@H](C)CCC 58d969b8e3e7a44bf960c835de888aef [0,2,0,0,0,0|2,0,0]=4 3172 B13R0.39 C=CCNC(=O)C(C)O[C@H](C)CCC 51c07288bf58742ddcc84cb79597a06f [0,2,0,0,0,0|2,0,0]=4 3173 B13R0.39 C=CCOC(=O)[C@H](C)NC(=O)CCC 070461ced070db2723e79331aee4d706 [0,2,0,0,0,0|1,0,1]=4 3174 B13R0.39 C=CCOC(=O)[C@H](C)NC(C)CCC f60e8a6d9c04f6d906bd8368c13900db [0,2,0,0,0,0|1,0,0]=3 3175 B13R0.39 C=CCOC(=O)[C@H](C)NC(C)CCO cb1636f95b39b159d26653f98914fc53 [0,2,0,0,0,0|2,0,0]=4 3176 B13R0.39 C=CCOC(=O)[C@H](C)NC(C)COC 0a08b5232c3b38e5578af2b06317dc30 [0,2,0,0,0,0|2,0,0]=4 3177 B13R0.95 C=C(Br)CNC(=O)CCC(=O)CCC 93163216afb38e4f91e7c1e978285f9d [0,2,0,0,0,0|1,0,1]=4 3178 B13R0.95 C=C(Br)CNC(=O)CC[C@H](C)CCC cedd4f5351d94374d1e4d1b93bde3612 [0,2,0,0,0,0|1,0,0]=3 3179 B13R0.95 C=C(Br)CNC(=O)NCC(O)CCC d7f55519ed0ec681f5ad11a3c059dc38 [0,2,0,0,0,0|2,0,0]=4 3180 B13R0.95 C=C(C)CCC(=O)NCC(O)CCC 0451263f64fc2f4d622d4a60a5b74268 [0,2,0,0,0,0|2,0,0]=4 3181 B13R0.95 C=C(C)CNC(=O)CCC(=O)CCC f86c8eabc54d558aaa9b364719bdcab1 [0,2,0,0,0,0|1,0,1]=4 3182 B13R0.95 C=C(C)CNC(=O)CC[C@H](C)CCC 6a17af2905a3a0a8f497caeb046967f7 [0,2,0,0,0,0|1,0,0]=3 3183 B13R0.95 C=C(C)CNC(=O)NCC(O)CCC 2342014ec5df64de3c334833c23d8076 [0,2,0,0,0,0|2,0,0]=4 3184 B13R0.95 CCC[C@@H](C)CCC(=O)NCC(=O)C 80a9a89e2a49e192b0b55fb17ca5596b [0,2,0,0,0,0|1,0,1]=4 3185 B13R0.95 CCC[C@@H](C)CCC(=O)NCC(=O)N aee2edd60d2e249978d9ddde58d14fc5 [0,2,0,0,0,0|2,0,0]=4 3186 B13R0.120 C=CCN(C)C(=O)CC(C)CCCC f22e087f603581f00878b6204005cb54 [0,2,0,0,0,0|1,0,0]=3 3187 B13R0.120 C=CCN(C)C(=O)CC(O)CCCC 550b5cb3fb2c8eb20b4fba5643653e66 [0,2,0,0,0,0|1,0,0]=3 3188 B13R0.120 C=CCN(C)C(=O)C[C@@H](C)CCCC 83b495da88a064e550fd3eb228723aa5 [0,2,0,0,0,0|1,0,0]=3 3189 B13R0.120 C=CCN(C)C(=O)C[C@H](C)CCCC ba2c46f4e93a005310cda4cd1d2aee49 [0,2,0,0,0,0|1,0,0]=3 3190 B13R0.120 C=CCN(C)C(=O)NC(C)CCCC e956445c363c9033943ec5855d13c2b6 [0,2,0,0,0,0|2,0,0]=4 3191 B13R0.120 C=CCN(C)C(=O)N[C@H](C)CCCC 81233a8ef9e5b92c939c6d065ed193f3 [0,2,0,0,0,0|2,0,0]=4 3192 B13R0.120 C=CCOC(=O)CN(C)C(C)CCO 1cda8afa660a7842b51249926b211f6d [0,2,0,0,0,0|2,0,0]=4 3193 B13R0.120 C=CCOC(=O)CN(C)[C@@H](C)CCO 9ab7362bc7f88f6abf7f3d4e1ef60aca [0,2,0,0,0,0|2,0,0]=4 3194 B13R0.126 C#CC(CCC)OCC(=O)NCC=C 1d2964f99092c66aa68d7c7e8b6d6004 [0,2,0,0,0,0|2,0,0]=4 3195 B13R0.126 C#CC(CCC)OCC(=O)OCC=C 8d86a3b0d3cf027b89d270ce9e7c0527 [0,2,0,0,0,0|1,0,0]=3 3196 B13R0.126 C=CCNC(=O)CCN(CC)CCC c773fb61a0101d038be7af17bc1456e2 [0,2,0,0,0,0|2,0,0]=4 3197 B13R0.126 C=CCNC(=O)CNC(CO)CCC 521a1f9f8a3e612421ee546dab3732d8 [0,2,0,0,0,0|2,0,0]=4 3198 B13R0.126 C=CCNC(=O)CN[C@@H](CO)CCC 98d2593c88240149121529176e22e388 [0,2,0,0,0,0|2,0,0]=4 3199 B13R0.126 C=CCNC(=O)CN[C@H](CO)CCC 4c2cb4fd9e21c34e0e0c97a70569758e [0,2,0,0,0,0|2,0,0]=4 3200 B13R0.126 C=CCNC(=O)COC(C#N)CCC 943213a4aae74ac83e1886c35af8a4d2 [0,2,0,0,0,0|2,0,0]=4 3201 B13R0.126 C=CCNC(=O)COC(C=C)CCC 86787aedde330cdbc54ea5d9102965a0 [0,2,0,0,0,0|2,0,0]=4 3202 B13R0.126 C=CCNC(=O)COC(CC)CCC bade0cc3621a07b56a7cd925d1587fe5 [0,2,0,0,0,0|2,0,0]=4 3203 B13R0.126 C=CCNC(=O)CO[C@H](CC)CCC d1da661c0f97474bbf6357964b5b2727 [0,2,0,0,0,0|2,0,0]=4 3204 B13R0.126 C=CCOC(=O)CNC(CC)COC ee463b8b2c1e831149775927acbd8c44 [0,2,0,0,0,0|2,0,0]=4 3205 B13R0.126 C=CCOC(=O)CNC(CO)CCC 7353ef7a619e73ad164a68e7f7c33338 [0,2,0,0,0,0|1,0,0]=3 3206 B13R0.126 C=CCOC(=O)CNC(CO)CCO 77accfefb855536909d2cd6fa35ecc62 [0,2,0,0,0,0|2,0,0]=4 3207 B13R0.126 C=CCOC(=O)CNC(CO)COC 4f9e4b30a50b888dbe4cc4636e8120d6 [0,2,0,0,0,0|2,0,0]=4 3208 B13R0.126 C=CCOC(=O)CNC(CO)CSC 3f80be45946f22e61c2f5166ed016731 [0,2,0,0,0,0|2,0,0]=4 3209 B13R0.126 C=CCOC(=O)CN[C@@H](CO)CCC 6bcc1e8da386a260cc9c7c52b6a91abd [0,2,0,0,0,0|1,0,0]=3 3210 B13R0.126 C=CCOC(=O)CN[C@@H](CO)CCO 8f233c76f24942f3df0bcaaf6954db2f [0,2,0,0,0,0|2,0,0]=4 3211 B13R0.126 C=CCOC(=O)CN[C@H](CO)CCC 1c2529279ed521217e134b370833c453 [0,2,0,0,0,0|1,0,0]=3 3212 B13R0.126 C=CCOC(=O)COC(C#N)CCC 9b2999097557a6fc181f66ca8882243b [0,2,0,0,0,0|1,0,0]=3 3213 B13R0.126 C=CCOC(=O)COC(C=C)CCC 9b87677f3a9f68bbf2063f8e71b97611 [0,2,0,0,0,0|1,0,0]=3 3214 B13R0.126 C=CCOC(=O)COC(CBr)CCBr 2c7e5eb213aa74765a2e8ff727503545 [0,2,0,0,0,0|2,0,0]=4 3215 B13R0.126 C=CCOC(=O)COC(CC)CCC c543e986f448fc7673af4a4f30f4c47f [0,2,0,0,0,0|1,0,0]=3 3216 B13R0.126 C=CCOC(=O)COC(CC)COC 3758802551e61d28f2c9a9e8dd07283a [0,2,0,0,0,0|2,0,0]=4 3217 B13R0.126 C=CCOC(=O)COC(CC)CSC 9a85e84c9ff5c0a00056e37341a39927 [0,2,0,0,0,0|2,0,0]=4 3218 B13R0.126 C=CCOC(=O)COC(CCl)CCCl dac67e9b46895de0538e90a11a505683 [0,2,0,0,0,0|2,0,0]=4 3219 B13R0.126 C=CCOC(=O)CO[C@H](CC)CCC 14d91be2f8d3db48e17bfc55989e27b3 [0,2,0,0,0,0|1,0,0]=3 3220 B13R0.131 C=CCNC(=O)CCN(C)C(C)CC 59bd6255730a301d2d126461772f75af [0,2,0,0,0,0|2,0,0]=4 3221 B13R0.131 C=CCNC(=O)CNC(C)C(C)CC da50aaaa0e5b2ad9de1a91c1513050db [0,2,0,0,0,0|2,0,0]=4 3222 B13R0.131 C=CCNC(=O)COC(C)C(C)CC 52fa823027e5e76e300b4c989a381802 [0,2,0,0,0,0|2,0,0]=4 3223 B13R0.131 C=CCOC(=O)CCC(=O)N(C)CC 0215b9389f00f0c806d14120f21b2171 [0,2,0,0,0,0|1,0,1]=4 3224 B13R0.131 C=CCOC(=O)CNC(C)C(C)CC 937e346d9f4266334c6a109c49f2a31f [0,2,0,0,0,0|1,0,0]=3 3225 B13R0.131 C=CCOC(=O)COC(C)C(C)CC 783b46fa84303cb233b2d8e033025a38 [0,2,0,0,0,0|1,0,0]=3 3226 B13R0.131 C=CCOC(=O)COC(C)C(C)OC 47845e3dd3bafa52ccc482efb5fae978 [0,2,0,0,0,0|2,0,0]=4 3227 B13R0.176 C=C/C=C/C(=O)NCC(O)CCCC e94063cf6cb14ff781ca7fcd9bedbdbe [0,2,0,0,0,0|1,0,1]=4 3228 B13R0.176 C=C/C=C\C(=O)NCC(O)CCCC 58d8d1f60027a29b4484525531416dde [0,2,0,0,0,0|1,0,1]=4 3229 B13R0.176 C=CC=CC(=O)NCC(O)CCCC e80b38002729dca492927f0a21cdce73 [0,2,0,0,0,0|1,0,1]=4 3230 B13R0.176 C=CCCC(=O)NCC(O)CCCC fa88eb6721ceeac709bb64676db57414 [0,2,0,0,0,0|1,0,0]=3 3231 B13R0.176 C=CCCC(=O)NCC(O)COCC 860f93f042a2ec7404d6b1ad8940eaa4 [0,2,0,0,0,0|2,0,0]=4 3232 B13R0.176 C=CCCC(=O)NC[C@H](C)CCCO 97943b5be9b288a4b8c9db1e410be6ef [0,2,0,0,0,0|2,0,0]=4 3233 B13R0.176 C=CCCC(C)OCC(=O)OCC=C 7ed27d8b2175ff0149acfe97b2d20c95 [0,2,0,0,0,0|0,0,2]=4 3234 B13R0.176 C=CCC[C@@H](C)OCC(=O)OCC=C 3082786c1938cdd6e69cec96c72c5cc0 [0,2,0,0,0,0|0,0,2]=4 3235 B13R0.176 C=CCNC(=O)CCN(C)CCCC 191bc932879aa3f90f174564996db026 [0,2,0,0,0,0|1,0,0]=3 3236 B13R0.176 C=CCNC(=O)CCN(C)CCCO 35bc4ee9e6be5f22fc115a59799a4ec1 [0,2,0,0,0,0|2,0,0]=4 3237 B13R0.176 C=CCNC(=O)CCN(C)CCOC b349dab100ec9c1c85bd82c29f4986fb [0,2,0,0,0,0|2,0,0]=4 3238 B13R0.176 C=CCNC(=O)CCN(C)CCSC 104348855e9f92ca1a038995c8302dde [0,2,0,0,0,0|2,0,0]=4 3239 B13R0.176 C=CCNC(=O)CNC(C)CCCC cd9cb2d9cd441737790d16337be04628 [0,2,0,0,0,0|1,0,0]=3 3240 B13R0.176 C=CCNC(=O)CNC(C)CCCO d4e056b42d790266cb9088d1c381974a [0,2,0,0,0,0|2,0,0]=4 3241 B13R0.176 C=CCNC(=O)CN[C@H](C)CCCC e86c501e486793a4ea54c2d630efadd3 [0,2,0,0,0,0|1,0,0]=3 3242 B13R0.176 C=CCNC(=O)CN[C@H](C)CCCO bb3c87ff0240fa8f83deb00c941dda52 [0,2,0,0,0,0|2,0,0]=4 3243 B13R0.176 C=CCNC(=O)COC(C)CCCC 10f11025aaacce858212e8e3f71b78ff [0,2,0,0,0,0|1,0,0]=3 3244 B13R0.176 C=CCNC(=O)COC(C)CCOC f7d46ab3aa0e4924801bf7a1a1902736 [0,2,0,0,0,0|2,0,0]=4 3245 B13R0.176 C=CCNC(=O)COC(C)CCSC 116b7bac1653c84189b016a268b8d4c2 [0,2,0,0,0,0|2,0,0]=4 3246 B13R0.176 C=CCNC(=O)COC(C)COCC 8c6b858f4e110ca5d6e6be7103679703 [0,2,0,0,0,0|2,0,0]=4 3247 B13R0.176 C=CCNC(=O)CO[C@@H](C)CCCC c8002d5df3983c0a077048359d3dad8e [0,2,0,0,0,0|1,0,0]=3 3248 B13R0.176 C=CCNC(=O)CO[C@H](C)CCCC 0fea5d642320f02b7923a54923255459 [0,2,0,0,0,0|1,0,0]=3 3249 B13R0.176 C=CCOC(=O)CCC(=O)NCCBr eb4834e6c2b4b15062a804f470548f17 [0,2,0,0,0,0|1,0,1]=4 3250 B13R0.176 C=CCOC(=O)CCC(=O)NCCC 833763867ce76d0736a1502695d89dfd [0,2,0,0,0,0|0,0,1]=3 3251 B13R0.176 C=CCOC(=O)CCC(=O)NCCF dd826266942adf65cd1c9a099759e159 [0,2,0,0,0,0|1,0,1]=4 3252 B13R0.176 C=CCOC(=O)CCC(=O)NCCI 0feb209d304a2328fb9341e3843b8460 [0,2,0,0,0,0|1,0,1]=4 3253 B13R0.176 C=CCOC(=O)CCC(=O)NCCO f0ad482006765b2508bb1a5be9329955 [0,2,0,0,0,0|1,0,1]=4 3254 B13R0.176 C=CCOC(=O)CCC(=O)NCCS ad9b2de8aa2ef868a8b0f3ba0c587e95 [0,2,0,0,0,0|1,0,1]=4 3255 B13R0.176 C=CCOC(=O)CNC(C)CCCC f17f1a2a6d1f378a2484b3e16e823358 [0,2,0,0,0,0|0,0,0]=2 3256 B13R0.176 C=CCOC(=O)CNC(C)CCCO 9ce5b018b19bcf5bd9ee8c820dbb3380 [0,2,0,0,0,0|1,0,0]=3 3257 B13R0.176 C=CCOC(=O)CN[C@H](C)CCCC 28b6162f1453f2fdd1ad59fbc8a1f35a [0,2,0,0,0,0|0,0,0]=2 3258 B13R0.176 C=CCOC(=O)CN[C@H](C)CCCO 8d8a0d7e2a8f3da650b06aa597673621 [0,2,0,0,0,0|1,0,0]=3 3259 B13R0.176 C=CCOC(=O)COC(C)C#CCC e6bae7aef09e354ff739b726db5db84b [0,2,0,0,0,0|0,0,2]=4 3260 B13R0.176 C=CCOC(=O)COC(C)CCCC cc431e6cdc09ecc2306ac5a70c6a64e8 [0,2,0,0,0,0|0,0,0]=2 3261 B13R0.176 C=CCOC(=O)COC(C)CCOC 92a2fc095afaa8ff6e46a50dd71a3a82 [0,2,0,0,0,0|1,0,0]=3 3262 B13R0.176 C=CCOC(=O)COC(C)CCSC b0f2f390d4df5c457046ff547ca6a07c [0,2,0,0,0,0|1,0,0]=3 3263 B13R0.176 C=CCOC(=O)COC(C)COCC 38840f56896681f8e8c6c44b07a4c2fa [0,2,0,0,0,0|1,0,0]=3 3264 B13R0.176 C=CCOC(=O)CO[C@@H](C)CCCC f99cf1112101f3b98b241ea327e782f6 [0,2,0,0,0,0|0,0,0]=2 3265 B13R0.176 C=CCOC(=O)CO[C@H](C)CCCC 20f7f76046cbd7203df61e0e8a426c14 [0,2,0,0,0,0|0,0,0]=2 3266 B13R0.176 CCCCC(C)NCC(=O)OCCC bd47db761a093f7cf5e8a7be9d63f401 [0,2,0,0,0,0|0,0,2]=4 3267 B13R0.176 CCCCC(C)OCC(=O)OCCC 732e8f6e5863da51ae7f8af1617d8c09 [0,2,0,0,0,0|0,0,2]=4 3268 B13R0.176 CCCCC(O)CNC(=O)CCC=O 54538822b1bf2b2c04eb200782db6625 [0,2,0,0,0,0|2,0,0]=4 3269 B13R0.176 CCCC[C@@H](C)NCC(=O)OCCC f6ebe6406a369766a5575c24b0972a46 [0,2,0,0,0,0|0,0,2]=4 3270 B13R0.176 CCCC[C@@H](C)OCC(=O)OCCC e970a7f007e70ee4e23023443cf209b3 [0,2,0,0,0,0|0,0,2]=4 3271 B13R0.176 CCCC[C@H](C)OCC(=O)OCCC bcbb1fe7b5313538efc4dfe29f0821a7 [0,2,0,0,0,0|0,0,2]=4 3272 B13R0.793 C=CCCC(=O)NCC(C)(O)CCC 85f4ad2ddcb3a201dce0812d4d55a158 [0,2,0,0,0,0|2,0,0]=4 3273 B13R0.793 C=CCOC(=O)CNC(C)(C)CCO fc7942ceb761fc673496d3944421f7ac [0,2,0,0,0,0|2,0,0]=4 3274 B13R0.793 C=CCOC(=O)CNC(C)(C)COC 9bc732adcb273e8b9f79acbdb5a9737a [0,2,0,0,0,0|2,0,0]=4 3275 B13R0.793 C=CCOC(=O)CNC(C)(C)CSC bc45cd421117d4894f93e77af051ae22 [0,2,0,0,0,0|2,0,0]=4 3276 B13R0.3 C#CC(CC)OCCC(=O)NCC=C 1052189896fa314b0ce8afd314cf26cc [0,2,0,0,0,0|2,0,0]=4 3277 B13R0.3 C=CCCC(=O)NCCC(CC)CC eac5b0994df435a0e83cfc0dc8a474a2 [0,2,0,0,0,0|2,0,0]=4 3278 B13R0.3 C=CCNC(=O)CCNC(CC)CC dc43d8570b0b6f4a49e006c54e31fe22 [0,2,0,0,0,0|2,0,0]=4 3279 B13R0.3 C=CCNC(=O)CCNC(CC)CO 92ad69f095fbd5ca5c83b618bd96b2e2 [0,2,0,0,0,0|2,0,0]=4 3280 B13R0.3 C=CCNC(=O)CCN[C@@H](CC)CO bd9f26f45a6d7aa5df30be59caac8893 [0,2,0,0,0,0|2,0,0]=4 3281 B13R0.3 C=CCNC(=O)CCN[C@H](CC)CO 5c9834fd6bc30b61796dbbea0eed9b75 [0,2,0,0,0,0|2,0,0]=4 3282 B13R0.3 C=CCNC(=O)CCOC(C#N)CC d4c0f79544f843cc0c5b0a201f1e2406 [0,2,0,0,0,0|2,0,0]=4 3283 B13R0.3 C=CCNC(=O)CCOC(C=C)CC 2b59b75ca85e7d68e41b4785d609cb45 [0,2,0,0,0,0|2,0,0]=4 3284 B13R0.3 C=CCNC(=O)CCOC(CC)CC 34df30b42d72f7100d41303c45c74806 [0,2,0,0,0,0|2,0,0]=4 3285 B13R0.3 C=CCNC(=O)CNCC(CC)CC 36cdaa016a983fa6188371cdc7694b5e [0,2,0,0,0,0|2,0,0]=4 3286 B13R0.3 C=CCNC(=O)CNCC(CC)CO 19fe1131ae6670840b32e2d9c869b52b [0,2,0,0,0,0|2,0,0]=4 3287 B13R0.3 C=CCNC(=O)COCC(CC)CC 836e25b461cb157b20b94070411aace0 [0,2,0,0,0,0|2,0,0]=4 3288 B13R0.3 C=CCNC(=O)COCC(CC)OC a43fdb59fc09b95655bfe09e4f799822 [0,2,0,0,0,0|2,0,0]=4 3289 B13R0.3 C=CCOC(=O)CNCC(CC)CC 834d52c868cb3ca05686140eecf8c395 [0,2,0,0,0,0|1,0,0]=3 3290 B13R0.3 C=CCOC(=O)CNCC(CC)CO 172cf757513319e9ade2b19fff53fa94 [0,2,0,0,0,0|1,0,0]=3 3291 B13R0.3 C=CCOC(=O)CNCC(CO)CO cce9d4b6504620ddd8dca34a1f92217b [0,2,0,0,0,0|2,0,0]=4 3292 B13R0.3 C=CCOC(=O)CNCC(OC)OC 9effeaec12dd0e8b2a2fe24d3b295240 [0,2,0,0,0,0|2,0,0]=4 3293 B13R0.3 C=CCOC(=O)CNC[C@H](CO)OC 072b53d48ef621c0f1abe93e9d422d06 [0,2,0,0,0,0|2,0,0]=4 3294 B13R0.3 C=CCOC(=O)COCC(CBr)CBr c30be3896c043ecf031ac21598189095 [0,2,0,0,0,0|2,0,0]=4 3295 B13R0.3 C=CCOC(=O)COCC(CC)CC 50ca2032393f2ef5e8fb9fd95a4b39dd [0,2,0,0,0,0|1,0,0]=3 3296 B13R0.3 C=CCOC(=O)COCC(CC)OC a921bb00045bbe5f2ccba31d7e889eda [0,2,0,0,0,0|1,0,0]=3 3297 B13R0.3 C=CCOC(=O)COCC(OC)OC ae1241d079acf77da36d4954b346ac5a [0,2,0,0,0,0|2,0,0]=4 3298 B13R0.3 C=CCOC(=O)COCN(CC)CC 00d672792bb53515fdda0a9aa5ac7619 [0,2,0,0,0,0|2,0,0]=4 3299 B13R0.40 C=CCNC(=O)C(C)NCC(C)CC a430b79ce7c9bc633c156481373827aa [0,2,0,0,0,0|2,0,0]=4 3300 B13R0.40 C=CCNC(=O)C(C)NCC(O)CC dfa00ff8eef71a032cb55d4e3641387b [0,2,0,0,0,0|2,0,0]=4 3301 B13R0.40 C=CCNC(=O)C(C)NC[C@@H](C)CC 83af172330fc9ce4b495abc459daee1e [0,2,0,0,0,0|2,0,0]=4 3302 B13R0.40 C=CCNC(=O)C(C)NC[C@H](O)CC d169a22aa96b805ac7ad70e40414cbe9 [0,2,0,0,0,0|2,0,0]=4 3303 B13R0.40 C=CCNC(=O)C(C)OCC(C)CC ff29d41c2cf308226cbe1dfe428eb486 [0,2,0,0,0,0|2,0,0]=4 3304 B13R0.40 C=CCNC(=O)C(C)OC[C@@H](C)CC d6d867b67f5c9f4a54a605a149b211fc [0,2,0,0,0,0|2,0,0]=4 3305 B13R0.40 C=CCNC(=O)C(C)OC[C@H](C)CC 57004719d6addc1153114adafd804dae [0,2,0,0,0,0|2,0,0]=4 3306 B13R0.40 C=CCOC(=O)[C@H](C)NCC(=C)CC 51c47c99d77683b7f4798e44f54bc04a [0,2,0,0,0,0|1,0,1]=4 3307 B13R0.40 C=CCOC(=O)[C@H](C)NCC(=O)CC ee92327469c2500ea94da40fe12cd65e [0,2,0,0,0,0|1,0,1]=4 3308 B13R0.40 C=CCOC(=O)[C@H](C)NCC(C)CC 9cd166bf1dc5771d0b93af54f5ea70ea [0,2,0,0,0,0|1,0,0]=3 3309 B13R0.40 C=CCOC(=O)[C@H](C)NCC(C)CO 5c3ce2cd9f232f697126de36143eff18 [0,2,0,0,0,0|2,0,0]=4 3310 B13R0.40 C=CCOC(=O)[C@H](C)NCC(C)OC 3a02f9cca89ee2fb9d130120c6a2c5b4 [0,2,0,0,0,0|2,0,0]=4 3311 B13R0.40 C=CCOC(=O)[C@H](C)NCC(O)CC 518144ceec0400de17151f800777f376 [0,2,0,0,0,0|1,0,0]=3 3312 B13R0.40 C=CCOC(=O)[C@H](C)NCC(O)CF be6f3109fadd14982a9844ddfdc8bd74 [0,2,0,0,0,0|2,0,0]=4 3313 B13R0.40 C=CCOC(=O)[C@H](C)NCC(O)CO d5208f010ad5423d399aab6c21c2a860 [0,2,0,0,0,0|2,0,0]=4 3314 B13R0.40 C=CCOC(=O)[C@H](C)NC[C@@H](C)CC a91f9a6e66a8a3a1bb1eda30bbf7af4a [0,2,0,0,0,0|1,0,0]=3 3315 B13R0.40 C=CCOC(=O)[C@H](C)NC[C@@H](C)CO 4e01f34f44464379ef638c448f2e477a [0,2,0,0,0,0|2,0,0]=4 3316 B13R0.40 C=CCOC(=O)[C@H](C)NC[C@@H](C)OC 33f21a291f0ecefd39b272811a99f824 [0,2,0,0,0,0|2,0,0]=4 3317 B13R0.40 C=CCOC(=O)[C@H](C)NC[C@@H](O)CO 647e83cbaa547b8a570485f05ce0c14c [0,2,0,0,0,0|2,0,0]=4 3318 B13R0.40 C=CCOC(=O)[C@H](C)NC[C@H](C)CC 43ba1af67a85eca282688b5ab84cb6bf [0,2,0,0,0,0|1,0,0]=3 3319 B13R0.40 C=CCOC(=O)[C@H](C)NC[C@H](C)CO 4c85fa37a8a96137ce371502a19c4195 [0,2,0,0,0,0|2,0,0]=4 3320 B13R0.40 C=CCOC(=O)[C@H](C)NC[C@H](C)OC cbb85b884a8b106c4167ba7d8b4768fd [0,2,0,0,0,0|2,0,0]=4 3321 B13R0.40 C=CCOC(=O)[C@H](C)NC[C@H](O)CO ac98ff03bc712a7e6f189e36d0c727c6 [0,2,0,0,0,0|2,0,0]=4 3322 B13R0.118 C=CC(C)CC(=O)NC(C)CCCC 9288d917f2a79bde9fbe4e8a51841ce8 [0,2,0,0,0,0|2,0,0]=4 3323 B13R0.118 C=CC(C)CC(=O)N[C@H](C)CCCC 74b8af1aa9d6da7a31c40d321e1621ea [0,2,0,0,0,0|2,0,0]=4 3324 B13R0.118 C=CC(C)NC(=O)CC(C)CCCC 2ddeb1d10bb097ec4bc8900a7c22eaf1 [0,2,0,0,0,0|1,0,0]=3 3325 B13R0.118 C=CC(C)NC(=O)CC(O)CCCC 21245eff5b4b4ac75a6776e343535883 [0,2,0,0,0,0|1,0,0]=3 3326 B13R0.118 C=CC(C)NC(=O)C[C@@H](C)CCCC 7183bac662c99f22f851e970d7829c6d [0,2,0,0,0,0|1,0,0]=3 3327 B13R0.118 C=CC(C)NC(=O)C[C@H](C)CCCC 3aa4912fda5e5a4a43fc38cafbd889a5 [0,2,0,0,0,0|1,0,0]=3 3328 B13R0.118 C=CC(C)NC(=O)NC(C)CCCC d5659d571402b5511f0cf45595671344 [0,2,0,0,0,0|2,0,0]=4 3329 B13R0.118 C=CC(C)NC(=O)N[C@H](C)CCCC d9bf41d97db3db29412f3d1099f58a88 [0,2,0,0,0,0|2,0,0]=4 3330 B13R0.118 C=CCCC(=O)NC(C)CC(C)CC 3a14e9be61a03030fb9eb0d35d44fc90 [0,2,0,0,0,0|2,0,0]=4 3331 B13R0.118 C=CCNC(=O)CN(C)CC(O)CC 2bf139a63f312105cee84ca46e5ff8a6 [0,2,0,0,0,0|2,0,0]=4 3332 B13R0.118 C=CCOC(=O)CN(C)CC(C)CO 14d3c8b349456d5bb8fa9210c52ade9d [0,2,0,0,0,0|2,0,0]=4 3333 B13R0.118 C=CCOC(=O)CN(C)CC(O)CC 17d86d45f7ecce1306795602b2165c7a [0,2,0,0,0,0|1,0,0]=3 3334 B13R0.118 C=CCOC(=O)CN(C)CC(O)CO ca0ef5344353729d619f63064f7d7d53 [0,2,0,0,0,0|2,0,0]=4 3335 B13R0.175 C#CCN(C)CCCC(=O)OCC=C 044fc3d081073a7e04a1428fe892f9ce [0,2,0,0,0,0|0,0,2]=4 3336 B13R0.175 C=CCNC(=O)CCNC(C)CCC c7fcfa29f9fb82e70d254d5d3f74c06a [0,2,0,0,0,0|1,0,0]=3 3337 B13R0.175 C=CCNC(=O)CCNC(C)CCO 2c0c6eb25e4b848e513e664fc9790f3c [0,2,0,0,0,0|2,0,0]=4 3338 B13R0.175 C=CCNC(=O)CCNC(C)COC 29ea8086f3bb350b27643f008b307a55 [0,2,0,0,0,0|2,0,0]=4 3339 B13R0.175 C=CCNC(=O)CCN[C@@H](C)CCC df5f110986eb30a698c5d470afce93d4 [0,2,0,0,0,0|1,0,0]=3 3340 B13R0.175 C=CCNC(=O)CCN[C@@H](C)CCO 04c26e7578ef353fa3900bdbf5121c14 [0,2,0,0,0,0|2,0,0]=4 3341 B13R0.175 C=CCNC(=O)CCN[C@@H](C)COC aced9c822a6677e9192c573b44ccc8a6 [0,2,0,0,0,0|2,0,0]=4 3342 B13R0.175 C=CCNC(=O)CCN[C@H](C)CCO 5a656107263fd79e008e8f9e5e41caca [0,2,0,0,0,0|2,0,0]=4 3343 B13R0.175 C=CCNC(=O)CCN[C@H](C)COC 8b8138c7ca5bfe83146c9e914cb476c6 [0,2,0,0,0,0|2,0,0]=4 3344 B13R0.175 C=CCNC(=O)CCOC(=S)CCC 12728224103f5ab829b04c2b0a979c47 [0,2,0,0,0,0|1,0,1]=4 3345 B13R0.175 C=CCNC(=O)CCOC(C)CCC c86eb376e024f15946c272f9c64d2e44 [0,2,0,0,0,0|1,0,0]=3 3346 B13R0.175 C=CCNC(=O)CCOC(C)COC 4920077e4db35904cebbbaae4807d806 [0,2,0,0,0,0|2,0,0]=4 3347 B13R0.175 C=CCNC(=O)CCOC(C)CSC 16865195ec346d8a33f0a35e045c6daa [0,2,0,0,0,0|2,0,0]=4 3348 B13R0.175 C=CCNC(=O)CCO[C@@H](C)CCC d36614fad83223c297069fb19b432036 [0,2,0,0,0,0|1,0,0]=3 3349 B13R0.175 C=CCNC(=O)CCO[C@@H](C)COC d3a1dbdd7f281d24ed88963247662fc9 [0,2,0,0,0,0|2,0,0]=4 3350 B13R0.175 C=CCNC(=O)CCO[C@H](C)CCC e75b72bec89053b3b830a7832e7fc896 [0,2,0,0,0,0|1,0,0]=3 3351 B13R0.175 C=CCNC(=O)CCO[C@H](C)COC 88bd68d899453f8f4a3017d6f018b674 [0,2,0,0,0,0|2,0,0]=4 3352 B13R0.175 C=CCNC(=O)CNCC(C)CCO f4431b6e3207f57af73b51a724c3d346 [0,2,0,0,0,0|2,0,0]=4 3353 B13R0.175 C=CCNC(=O)CNCC(C)OCC 2404d50e225177da7763eb267b397705 [0,2,0,0,0,0|2,0,0]=4 3354 B13R0.175 C=CCNC(=O)CNCC(O)CCC c7d578e659ea22162c06ed6f04c5b153 [0,2,0,0,0,0|1,0,0]=3 3355 B13R0.175 C=CCNC(=O)CNCC(O)COC 5ac0edc306df1fbff7f1470903d821cf [0,2,0,0,0,0|2,0,0]=4 3356 B13R0.175 C=CCNC(=O)CNC[C@H](O)COC 32849264f096d8ed9324bdd482b35b5f [0,2,0,0,0,0|2,0,0]=4 3357 B13R0.175 C=CCNC(=O)COCC(=O)CCC 1a24e93795fc5617b6c0b4de1a965804 [0,2,0,0,0,0|1,0,1]=4 3358 B13R0.175 C=CCNC(=O)COCC(C)CCC 2e884bbf86c75169398bf3b410796ced [0,2,0,0,0,0|1,0,0]=3 3359 B13R0.175 C=CCNC(=O)COCC(C)COC 3c240d1dd2a364f742c0a387e7d3b60d [0,2,0,0,0,0|2,0,0]=4 3360 B13R0.175 C=CCNC(=O)COCC(C)OCC cef1bf11636683cdc4b8cdf39fd69129 [0,2,0,0,0,0|2,0,0]=4 3361 B13R0.175 C=CCNC(=O)COC[C@@H](C)COC 4c67d1920f21ad643062941738356ce7 [0,2,0,0,0,0|2,0,0]=4 3362 B13R0.175 C=CCNC(=O)COC[C@@H](O)CCO 4f0f741f108ca1018f2325c096e03b3e [0,2,0,0,0,0|2,0,0]=4 3363 B13R0.175 C=CCOC(=O)CCCN(C)CC#N d8582d7c03a1f96a008f61460d24e6c2 [0,2,0,0,0,0|1,0,1]=4 3364 B13R0.175 C=CCOC(=O)CCCN(C)CC=C c99c89f21c80183b7672cefeff67dbaf [0,2,0,0,0,0|0,0,2]=4 3365 B13R0.175 C=CCOC(=O)CCCN(C)CCC 2bbaae46245772c468baa4d523747e0d [0,2,0,0,0,0|0,0,0]=2 3366 B13R0.175 C=CCOC(=O)CCCN(C)CCF 3533fd0e7282ebb6e757a27be64ab71c [0,2,0,0,0,0|1,0,0]=3 3367 B13R0.175 C=CCOC(=O)CCCN(C)CCO 9bc5b679e074afccc7a94a8a48b33703 [0,2,0,0,0,0|1,0,0]=3 3368 B13R0.175 C=CCOC(=O)CNCC(=O)NCC 37097aecf27bc984ddbeb68e7567a4d0 [0,2,0,0,0,0|1,0,1]=4 3369 B13R0.175 C=CCOC(=O)CNCC(=O)OCC ecc54a0a40cdfbbaace8d0ba50efdeb8 [0,2,0,0,0,0|1,0,1]=4 3370 B13R0.175 C=CCOC(=O)CNCC(C)CCO 57636986f25ce4934ee06e5f978028f6 [0,2,0,0,0,0|1,0,0]=3 3371 B13R0.175 C=CCOC(=O)CNCC(C)OCC 2910a9b337c1a4b253e2b4ebfb8f0e5a [0,2,0,0,0,0|1,0,0]=3 3372 B13R0.175 C=CCOC(=O)CNCC(O)CC=C c74a539a05e380a59323afd6d2c0290b [0,2,0,0,0,0|0,0,2]=4 3373 B13R0.175 C=CCOC(=O)CNCC(O)CCC 0107403fa40260dd58e39bff3418b670 [0,2,0,0,0,0|0,0,0]=2 3374 B13R0.175 C=CCOC(=O)CNCC(O)COC 4e492fc8db114315436a9af14ca0ffff [0,2,0,0,0,0|1,0,0]=3 3375 B13R0.175 C=CCOC(=O)CNC[C@H](O)COC 773aef12ebac3b5f2334d4bccdd306f5 [0,2,0,0,0,0|1,0,0]=3 3376 B13R0.175 C=CCOC(=O)COCC(=O)NCC e530e51160363d4a4dc6fbf79ca3220a [0,2,0,0,0,0|1,0,1]=4 3377 B13R0.175 C=CCOC(=O)COCC(=O)OCC 3e80da2c5bf91ff5073cf9bb7ce513b1 [0,2,0,0,0,0|1,0,1]=4 3378 B13R0.175 C=CCOC(=O)COCC(C)CC=C 500acf6bb3b9527395db8480691cf5de [0,2,0,0,0,0|0,0,2]=4 3379 B13R0.175 C=CCOC(=O)COCC(C)CCC ab84291a79ec9737b58b02c95cc358ad [0,2,0,0,0,0|0,0,0]=2 3380 B13R0.175 C=CCOC(=O)COCC(C)COC e552bc79b248291101fcc108056c86eb [0,2,0,0,0,0|1,0,0]=3 3381 B13R0.175 C=CCOC(=O)COCC(C)OCC 1da2f0d941e25b3116edf3494018a0cc [0,2,0,0,0,0|1,0,0]=3 3382 B13R0.175 C=CCOC(=O)COC[C@@H](C)COC 6f160fc231bbb0c5a9b5d49dfc7657e8 [0,2,0,0,0,0|1,0,0]=3 3383 B13R0.175 CCCOC(=O)CCOC(C)CCC 7a5c8170a113139bdb031333c77e114e [0,2,0,0,0,0|0,0,2]=4 3384 B13R0.175 CCCOC(=O)CNCC(O)CCC 16e05e75ddb95c2aa8087118131eb18b [0,2,0,0,0,0|0,0,2]=4 3385 B13R0.175 CCCOC(=O)COCC(C)CCC f583b7034f29ff7195a40cde0e6d66fa [0,2,0,0,0,0|0,0,2]=4 3386 B13R0.208 C=C(Br)CNC(=O)CCCC(=O)CC 904cc05b50d237a5b663e3957113dca6 [0,2,0,0,0,0|1,0,1]=4 3387 B13R0.208 C=C(Br)CNC(=O)CCCC(C)CC ed6ae09e06673d3ad9468fb8742ea92e [0,2,0,0,0,0|1,0,0]=3 3388 B13R0.208 C=C(Br)CNC(=O)CCCC(O)CO 445d48dc5e98ee1ad4c4d43dedd4b30c [0,2,0,0,0,0|2,0,0]=4 3389 B13R0.208 C=C(Br)CNC(=O)NCCC(C)CC 7bfe1f76de0598349ebbdb33457de2dd [0,2,0,0,0,0|2,0,0]=4 3390 B13R0.208 C=C(C)CCC(=O)NCCC(C)CC f689e2e9650d9243dd92700ea7e60ca4 [0,2,0,0,0,0|2,0,0]=4 3391 B13R0.208 C=C(C)CNC(=O)CCCC(=O)CC a19a6ebabab21fd456071f5024d6685c [0,2,0,0,0,0|1,0,1]=4 3392 B13R0.208 C=C(C)CNC(=O)CCCC(C)CC 6fe9becdad58f4191e21beda84bb26a3 [0,2,0,0,0,0|1,0,0]=3 3393 B13R0.208 C=C(C)CNC(=O)CCCC(O)CO ee8ba0bee1e6fec1b0efe0f54debfc37 [0,2,0,0,0,0|2,0,0]=4 3394 B13R0.208 C=C(C)CNC(=O)NCCC(C)CC be36ade3310f39d76fd3fb308341c948 [0,2,0,0,0,0|2,0,0]=4 3395 B13R0.208 CCC(C)CCCC(=O)NCC(=O)C f4099cb66928cf7f931e9d3f0d28b4c6 [0,2,0,0,0,0|1,0,1]=4 3396 B13R0.208 CCC(C)CCCC(=O)NCC(=O)N 73f1aa9671cdcf797f64bf9f45ce5d59 [0,2,0,0,0,0|2,0,0]=4 3397 B13R0.267 C=CCN(C)C(=O)CCCC(=O)CC b3d16c6b1064dd7c6b21651528be91f9 [0,2,0,0,0,0|1,0,1]=4 3398 B13R0.267 C=CCN(C)C(=O)CCCC(C)CC 10484d6df696297fbd652a68a9ecc7a7 [0,2,0,0,0,0|1,0,0]=3 3399 B13R0.267 C=CCN(C)C(=O)CCCC(O)CO 106af5d8a267bc627ac6b974e35eee64 [0,2,0,0,0,0|2,0,0]=4 3400 B13R0.267 C=CCN(C)C(=O)NCCC(C)CC f5c20fbba595a7f9b84dc9d72c99f00b [0,2,0,0,0,0|2,0,0]=4 3401 B13R0.429 C=CC(C)CC(=O)NCCC(C)CC e0b8ff6a77f8b5f9c7814137abe2e604 [0,2,0,0,0,0|2,0,0]=4 3402 B13R0.429 C=CC(C)NC(=O)CCCC(=O)CC 060df9bf7fb62bdcfb7817442ad0d402 [0,2,0,0,0,0|1,0,1]=4 3403 B13R0.429 C=CC(C)NC(=O)CCCC(C)CC 40d0fd99b25f1cd9e0b7557571bfd4e9 [0,2,0,0,0,0|1,0,0]=3 3404 B13R0.429 C=CC(C)NC(=O)CCCC(O)CO 1d5df74e617e20be406564bcff3d1ea8 [0,2,0,0,0,0|2,0,0]=4 3405 B13R0.429 C=CC(C)NC(=O)NCCC(C)CC 850377d9ac1d35dd1ab440db7b061030 [0,2,0,0,0,0|2,0,0]=4 3406 B13R0.685 C=CCNC(=O)CCNC(C)(C)CC f57d60a019e167d2f051d9b7c20121a0 [0,2,0,0,0,0|2,0,0]=4 3407 B13R0.685 C=CCNC(=O)CNCC(C)(C)CC 7e2d3d0fffae4e8a470ba6eb33fb1e5f [0,2,0,0,0,0|2,0,0]=4 3408 B13R0.685 C=CCNC(=O)CNCC(C)(O)CC 716c50ba55b54629fbc06bbe5d168d71 [0,2,0,0,0,0|2,0,0]=4 3409 B13R0.685 C=CCNC(=O)COCC(F)(F)CC e6648ebbb3ce26e1beb18bc50d3adf83 [0,2,0,0,0,0|2,0,0]=4 3410 B13R0.685 C=CCOC(=O)CNCC(C)(C)CC d237af41d031d70c61eff3d296515deb [0,2,0,0,0,0|1,0,0]=3 3411 B13R0.685 C=CCOC(=O)CNCC(C)(C)CF b06f97b883ee42b6da207d5eb70424aa [0,2,0,0,0,0|2,0,0]=4 3412 B13R0.685 C=CCOC(=O)CNCC(C)(C)CO f76ae2f71a04310e00c84b7cae663ce4 [0,2,0,0,0,0|2,0,0]=4 3413 B13R0.685 C=CCOC(=O)CNCC(C)(C)OC 54c30b4fd4998fbda73b7e63e641d3cb [0,2,0,0,0,0|2,0,0]=4 3414 B13R0.685 C=CCOC(=O)CNCC(C)(O)CC 2b5ddc5531dc20d937d434688a41e0e5 [0,2,0,0,0,0|1,0,0]=3 3415 B13R0.685 C=CCOC(=O)CNCC(F)(F)CO c3e1476447058c112d5852b4fabe444b [0,2,0,0,0,0|2,0,0]=4 3416 B13R0.685 C=CCOC(=O)COCC(C)(C)CF 3b3df1cf694d1ee1f8937ee451bc08b9 [0,2,0,0,0,0|2,0,0]=4 3417 B13R0.685 C=CCOC(=O)COCC(C)(C)OC b3af2d4d4dbd4dfbfa272dbef786b33b [0,2,0,0,0,0|2,0,0]=4 3418 B13R0.685 C=CCOC(=O)COCC(F)(F)CC 7211641708b97c9b1b4b6b1f14cc0cc4 [0,2,0,0,0,0|1,0,0]=3 3419 B13R0.41 C=CCNC(=O)C(C)N(C)CCCC 8aff7cad1a0c9d0859bdc02382c52e16 [0,2,0,0,0,0|2,0,0]=4 3420 B13R0.114 C=CCCC(=O)NC(CO)CCCC 9df39d65aa298caae001d20542ec8301 [0,2,0,0,0,0|2,0,0]=4 3421 B13R0.114 C=CCCC(=O)N[C@@H](CO)CCCC 5efea6b83735674a63f02dd3afe60d1c [0,2,0,0,0,0|2,0,0]=4 3422 B13R0.114 C=CCCC(=O)N[C@H](CO)CCCC a0a93e6e14c652a9bb9eb1c0511e861d [0,2,0,0,0,0|2,0,0]=4 3423 B13R0.114 C=CCNC(=O)CN(CC)CCCC fb7581005f423b7ac3af71979b2082f2 [0,2,0,0,0,0|2,0,0]=4 3424 B13R0.114 C=CCOC(=O)CN(CC)CCCC 876897efe616a3e5b02558f30b12f161 [0,2,0,0,0,0|1,0,0]=3 3425 B13R0.114 C=CCOC(=O)CN(CC)CCCO e3c380ccb81a503ed2f5f013b0034877 [0,2,0,0,0,0|2,0,0]=4 3426 B13R0.114 C=CCOC(=O)CN(CC)CCOC 08408f6dad5ee2033bd19e77f29aa0d7 [0,2,0,0,0,0|2,0,0]=4 3427 B13R0.143 C=CCNC(CCCCCC)C(=O)O 50cee4b9d4f0a5cd3e28a41d5146c78a [0,2,0,0,0,0|1,0,1]=4 3428 B13R0.143 C=CCN[C@@H](CCCCCC)C(=O)O 9bae97087a97657ff96604047d5e1ac7 [0,2,0,0,0,0|1,0,1]=4 3429 B13R0.143 C=CCN[C@H](CCCCCC)C(=O)O 0dfda230d708dd4a25857d08c63cfe0e [0,2,0,0,0,0|1,0,1]=4 3430 B13R0.143 C=CCOC(CCCCCC)C(=O)O 940361c4a21c9665f473fd5c24e4dd5a [0,2,0,0,0,0|0,0,1]=3 3431 B13R0.143 CCCCCCC(OCC=O)C(=O)O a806df4bc73cf193e525e7d75957ab64 [0,2,0,0,0,0|1,0,1]=4 3432 B13R0.272 C=CCOC(C=C)CCCCCCC 8212f8cb45607b1c6dc91b5366f7f06b [0,2,0,0,0,0|1,0,1]=4 3433 B13R0.272 C=CCOC(CC)CCCCCCC 75ee202e1045186b4800113052088f46 [0,2,0,0,0,0|1,0,1]=4 3434 B13R0.279 C=CCOC(CCC)CCCCCC 19d46bc365ea2546a65517a817f84272 [0,2,0,0,0,0|1,0,1]=4 3435 B13R0.285 C=C(Br)COC(CC)CCCCCC dd4d4a987b19d6153925c77e3b0c4e6d [0,2,0,0,0,0|1,0,1]=4 3436 B13R0.285 C=C(C)COC(CC)CCCCCC 17ad0df9665666f814490bd03eb9d9ab [0,2,0,0,0,0|1,0,1]=4 3437 B13R0.285 C=C(Cl)COC(CC)CCCCCC 756697ce1b75ba98e837fb062d15f4e9 [0,2,0,0,0,0|1,0,1]=4 3438 B13R0.285 C=CC(CCCCCC)OCC(=C)Br 58a118fc31cdcac6d7b239159b9bf42f [0,2,0,0,0,0|1,0,1]=4 3439 B13R0.285 C=CC(CCCCCC)OCC(=C)C 5ee4e4b3bdd6f931aba8a8cb3e0e64fb [0,2,0,0,0,0|1,0,1]=4 3440 B13R0.285 C=CC(CCCCCC)OCC(=C)Cl 17e5f702c8ec9768cc9b103fa3260edb [0,2,0,0,0,0|1,0,1]=4 3441 B13R0.285 C=CC(CCCCCC)OCC(=C)F a9b503bb92700a5567f41e41cb968595 [0,2,0,0,0,0|1,0,1]=4 3442 B13R0.287 C=CC(C)OC(C=C)CCCCCC c0cad480fb158e9861759fa1e4eff23b [0,2,0,0,0,0|1,0,1]=4 3443 B13R0.287 C=CC(C)OC(CC)CCCCCC 7daa02d049c34df57a48df7c285d4b99 [0,2,0,0,0,0|1,0,1]=4 3444 B13R0.151 C=CC(C)CC(=O)N(C)CCCCC 3f395ccbc6a4b24e932a4901d36a6735 [0,2,0,0,0,0|2,0,0]=4 3445 B13R0.151 C=CC(C)NC(=O)C(=O)CCCCC 4663f070f5c146090a60c1beabc31e75 [0,2,0,0,0,0|1,0,1]=4 3446 B13R0.151 C=CC(C)NC(=O)C(C)SCCCC 55e12531fe3c263dbd30558f3123ece7 [0,2,0,0,0,0|2,0,0]=4 3447 B13R0.151 C=CC(C)NC(=O)C(O)CCCCC dd3d91225c412b34d6de47b8796582ce [0,2,0,0,0,0|1,0,0]=3 3448 B13R0.151 C=CC(C)NC(=O)N(C)CCCCC 2b1de61e6cc8c6c643eeffc4f2b7531b [0,2,0,0,0,0|2,0,0]=4 3449 B13R0.274 C#CCCCCCC(=O)NC(C)C=C 840f10dcce1feb5eda8b0f6a459ffe14 [0,2,0,0,0,0|1,0,1]=4 3450 B13R0.274 C=CC(C)CC(=O)NCCCCCC 2d8dfd3783be420cc13798eef556a8af [0,2,0,0,0,0|1,0,0]=3 3451 B13R0.274 C=CC(C)CC(=O)NCCCCCCl d3f7a26f35795707b4de8a2b2922a4ee [0,2,0,0,0,0|2,0,0]=4 3452 B13R0.274 C=CC(C)CC(=O)NCCCCCO 33522b2d445c05eb56cd2e80c68c30e0 [0,2,0,0,0,0|2,0,0]=4 3453 B13R0.274 C=CC(C)CC(=O)NCCCCOC e336378649bcd3a337f840c657283d20 [0,2,0,0,0,0|2,0,0]=4 3454 B13R0.274 C=CC(C)CC(=O)NCCCCSC a2cd2f7de0265257c973c83084e77078 [0,2,0,0,0,0|2,0,0]=4 3455 B13R0.274 C=CC(C)CC(=O)NCCCOCC 5992a67b4f5fdcd992998354f40b0d97 [0,2,0,0,0,0|2,0,0]=4 3456 B13R0.274 C=CC(C)CC(=O)NCCOCCC 1901a6a3b1a98298320a869ce5b244a0 [0,2,0,0,0,0|2,0,0]=4 3457 B13R0.274 C=CC(C)NC(=O)/C=C/CCCCC 21afa8a7f92575f767b775aac63f181f [0,2,0,0,0,0|1,0,1]=4 3458 B13R0.274 C=CC(C)NC(=O)C#CCCCCC 62ade95a9d5a4c2bd93e093bbfdc6182 [0,2,0,0,0,0|1,0,1]=4 3459 B13R0.274 C=CC(C)NC(=O)C/C=C/CCCC 142a19874ea69e2407134599ff7287d3 [0,2,0,0,0,0|1,0,1]=4 3460 B13R0.274 C=CC(C)NC(=O)CC#CCCCC 01eadd52dffccd5c68a4bb885e3854ea [0,2,0,0,0,0|1,0,1]=4 3461 B13R0.274 C=CC(C)NC(=O)CC/C=C/CCC 4f1213f9e1fa90f5900ff551e27343e1 [0,2,0,0,0,0|1,0,1]=4 3462 B13R0.274 C=CC(C)NC(=O)CC/C=C\CCC bef9468c44d7f12007bed5edcc7e6019 [0,2,0,0,0,0|1,0,1]=4 3463 B13R0.274 C=CC(C)NC(=O)CCCCCC=O 30dc828218a3c6169dea77a5f88e9cc0 [0,2,0,0,0,0|1,0,1]=4 3464 B13R0.274 C=CC(C)NC(=O)CCCCCCC ac43f207b12c94561efc3f5125b6df74 [0,2,0,0,0,0|1,0,0]=3 3465 B13R0.274 C=CC(C)NC(=O)CCCCCCF b95723a9243e01f18bfdddbc55093a14 [0,2,0,0,0,0|1,0,0]=3 3466 B13R0.274 C=CC(C)NC(=O)CCCCCCO d45c404c102c30271e7841da6e5e582c [0,2,0,0,0,0|1,0,0]=3 3467 B13R0.274 C=CC(C)NC(=O)CCCCCCS 4c39ed21dcf10f66ad538f1991bbc3ab [0,2,0,0,0,0|1,0,0]=3 3468 B13R0.274 C=CC(C)NC(=O)CCCCCOC 3876d7536ed30319a034e9b89ed1d1d2 [0,2,0,0,0,0|1,0,0]=3 3469 B13R0.274 C=CC(C)NC(=O)CCCCOCC db3351e98fb7f8419134442251af4af7 [0,2,0,0,0,0|1,0,0]=3 3470 B13R0.274 C=CC(C)NC(=O)CCOCCCC 588bd713285db387ba3d399e1c024be2 [0,2,0,0,0,0|1,0,0]=3 3471 B13R0.274 C=CC(C)NC(=O)CCOCCOC f2bf730f16f77f4a6ced3c7ae71a21a2 [0,2,0,0,0,0|2,0,0]=4 3472 B13R0.274 C=CC(C)NC(=O)NCCCCCC 4feb8737445e7661e836742dcd451cfb [0,2,0,0,0,0|1,0,0]=3 3473 B13R0.274 C=CC(C)NC(=O)NCCCCCN 29ac7282a239e7bb6a8f54520c3e1e29 [0,2,0,0,0,0|2,0,0]=4 3474 B13R0.274 C=CC(C)NC(=O)NCCCCCO 1ece83377d6acbc22da8d5af57d7d133 [0,2,0,0,0,0|2,0,0]=4 3475 B13R0.274 C=CC(C)NC(=O)NCCCCOC c27ac15db646aa0c5c5bcce7f5fef5eb [0,2,0,0,0,0|2,0,0]=4 3476 B13R0.274 C=CC(C)NC(=O)NCCCCSC b6da43adc45e48bc3fb929728c5e603e [0,2,0,0,0,0|2,0,0]=4 3477 B13R0.274 C=CC(C)NC(=O)NCCCOCC 159fe50917a0af13ee3f8c8e5bc989cb [0,2,0,0,0,0|2,0,0]=4 3478 B13R0.274 C=CC(C)NC(=O)NCCOCCC 60d35ad7fd2f67a0432374b44c59aab5 [0,2,0,0,0,0|2,0,0]=4 3479 B13R0.274 C=CC(C)NC(=S)NCCCCCC c92bb7d9af15b2093f2f1bbc44a782a7 [0,2,0,0,0,0|1,1,0]=4 3480 B13R0.274 C=CC(C)OC(C)CCCCCCC 4b49fa03d815299929634ac8eff826c2 [0,2,0,0,0,0|1,0,1]=4 3481 B13R0.274 C=CCCCCCC(=O)NC(C)C=C 4832342f1bb986d0bd7272938b6c5735 [0,2,0,0,0,0|1,0,1]=4 3482 B13R0.284 CCCCCCC(=O)NC(C)C(=O)N 5a1e8373997857f4ab27f9530ed524f7 [0,2,0,0,0,0|2,0,0]=4 3483 B13R0.284 CCCCCCC(=O)N[C@@H](C)C(=O)N 61d925da48c63508011b95f7b0d36463 [0,2,0,0,0,0|2,0,0]=4 3484 B13R0.284 CCCCCCC(=O)N[C@H](C)C(=O)N 03cf95daceb39bf6cc9f0ec4d6a1fdfb [0,2,0,0,0,0|2,0,0]=4 3485 B13R0.439 C#CC(C=C)OC(C)CCCCCC 853ea4318a047e86e89139d9cb580288 [0,2,0,0,0,0|1,0,1]=4 3486 B13R0.439 C=CC(C=C)OC(C)CCCCCC 22dbc65ccf198a8b033c50b56f2f3bd8 [0,2,0,0,0,0|1,0,1]=4 3487 B13R0.439 C=CC(CC)OC(C)CCCCCC 5264a39fe252789e7fa20149a6cbc4e0 [0,2,0,0,0,0|1,0,1]=4 3488 B13R0.439 C=C[C@@H](CO)NC(=O)CCCCCC 4f35cb1f2829e900fc6c782cd7a44a3e [0,2,0,0,0,0|1,0,0]=3 3489 B13R0.439 C=C[C@@H](CO)NC(=O)CCCCCF de99a4eb07ef0280e0d3eb4a94db4c19 [0,2,0,0,0,0|2,0,0]=4 3490 B13R0.439 C=C[C@@H](CO)NC(=O)CCCCCO 7bae673fdf0ab2532cf53ed3974dd7f6 [0,2,0,0,0,0|2,0,0]=4 3491 B13R0.439 C=C[C@@H](CO)NC(=O)CCCCCS cc1cb6afff32cb09ce849db0d8be48d9 [0,2,0,0,0,0|2,0,0]=4 3492 B13R0.439 C=C[C@@H](CO)NC(=O)CCOCCC 1f023d45a7788dbf111268c6ddb420c2 [0,2,0,0,0,0|2,0,0]=4 3493 B13R0.439 C=C[C@@H](CO)NC(=O)COCCCC c8a7f79bdb83246676e659a707c20635 [0,2,0,0,0,0|2,0,0]=4 3494 B13R0.439 C=C[C@@H](CO)NC(=O)CSCCCC a3857ee602a2491a2bea4de460f8419f [0,2,0,0,0,0|2,0,0]=4 3495 B13R0.439 C=C[C@@H](CO)NC(=O)NCCCCC 85aca743f75c08f2493d2bf14872da97 [0,2,0,0,0,0|2,0,0]=4 3496 B13R0.1241 C=CC(C)(C)CC(=O)NCCCCC 38cb3931e6a8cd9c1f74c3b1ef49af7a [0,2,0,0,0,0|2,0,0]=4 3497 B13R0.275 C#CCCCCCC(=O)N(C)CC=C f249f2aeb7ce54104ed9b46039d17e72 [0,2,0,0,0,0|1,0,1]=4 3498 B13R0.275 C=CCCCCCC(=O)N(C)CC=C 3d14ccde119aeaeac2ce0b7dc5047645 [0,2,0,0,0,0|1,0,1]=4 3499 B13R0.275 C=CCN(C)C(=O)/C=C/CCCCC dd2c1a8dc252f274eb10f539272bfc48 [0,2,0,0,0,0|1,0,1]=4 3500 B13R0.275 C=CCN(C)C(=O)C#CCCCCC c080665453a7641d77c813a244f7907c [0,2,0,0,0,0|1,0,1]=4 3501 B13R0.275 C=CCN(C)C(=O)C/C=C/CCCC 14257787a6fd52a19f3b0dd45c46f79e [0,2,0,0,0,0|1,0,1]=4 3502 B13R0.275 C=CCN(C)C(=O)CC#CCCCC 9e2c04001491a9973060e9924df25c0c [0,2,0,0,0,0|1,0,1]=4 3503 B13R0.275 C=CCN(C)C(=O)CC/C=C/CCC 652eef71057993fa036c231f242a3e7b [0,2,0,0,0,0|1,0,1]=4 3504 B13R0.275 C=CCN(C)C(=O)CC/C=C\CCC 1afd4b17d09f47bf5a95aecf1dc3ab76 [0,2,0,0,0,0|1,0,1]=4 3505 B13R0.275 C=CCN(C)C(=O)CCCCCC=O 8bb92f3f3bc9222291ff32dee2ffaff5 [0,2,0,0,0,0|1,0,1]=4 3506 B13R0.275 C=CCN(C)C(=O)CCCCCCC 661cc710cc7806b17d69d0f0e469dce1 [0,2,0,0,0,0|1,0,0]=3 3507 B13R0.275 C=CCN(C)C(=O)CCCCCCF b8b3ee1c10f4866f23eba758c928840c [0,2,0,0,0,0|1,0,0]=3 3508 B13R0.275 C=CCN(C)C(=O)CCCCCCO 5c4bd2d0f2986fe79fef9f74c02726f0 [0,2,0,0,0,0|1,0,0]=3 3509 B13R0.275 C=CCN(C)C(=O)CCCCCCS 489b9469fff834d7fc6d5ff17f13c1a4 [0,2,0,0,0,0|1,0,0]=3 3510 B13R0.275 C=CCN(C)C(=O)CCCCCOC 6ce679220da73ace64f12ba3e7f6802c [0,2,0,0,0,0|1,0,0]=3 3511 B13R0.275 C=CCN(C)C(=O)CCCCOCC 1b67a8fe37caaac8735f2a3ecc01b4af [0,2,0,0,0,0|1,0,0]=3 3512 B13R0.275 C=CCN(C)C(=O)CCOCCCC 6c3879a55dfed7fe1094eabae1a7696d [0,2,0,0,0,0|1,0,0]=3 3513 B13R0.275 C=CCN(C)C(=O)CCOCCOC 6d8ebbd1e3a701bef3f0f700200e49dd [0,2,0,0,0,0|2,0,0]=4 3514 B13R0.275 C=CCN(C)C(=O)NCCCCCC 86a68bd135b0afc8ed08792f346a440c [0,2,0,0,0,0|1,0,0]=3 3515 B13R0.275 C=CCN(C)C(=O)NCCCCCN fc0a44c62df1498ba342e93564049461 [0,2,0,0,0,0|2,0,0]=4 3516 B13R0.275 C=CCN(C)C(=O)NCCCCCO 4e1f419308d9d991c98985fe9ce36208 [0,2,0,0,0,0|2,0,0]=4 3517 B13R0.275 C=CCN(C)C(=O)NCCCCOC d94971ce6873b3b40147c2af3f3d8165 [0,2,0,0,0,0|2,0,0]=4 3518 B13R0.275 C=CCN(C)C(=O)NCCCCSC 9657a17089e76fb2ee3460955e6fa3e5 [0,2,0,0,0,0|2,0,0]=4 3519 B13R0.275 C=CCN(C)C(=O)NCCCOCC 0913e2b356e5fbb8212f7806b6741d7c [0,2,0,0,0,0|2,0,0]=4 3520 B13R0.275 C=CCN(C)C(=O)NCCOCCC 649a797802997a32c6296d3a7d4974b3 [0,2,0,0,0,0|2,0,0]=4 3521 B13R0.275 C=CCN(C)C(=S)NCCCCCC c145cfadaefddc92723f60cdeca154c3 [0,2,0,0,0,0|1,1,0]=4 3522 B13R0.421 C=CCN(C#N)C(=O)CCCCCC f7f68bd1c3d2afec62a451d57ac48ecd [0,2,0,0,0,0|1,0,0]=3 3523 B13R0.421 C=CCN(C#N)C(=O)CCCCCF eeae529848fa42818f38350fb9907810 [0,2,0,0,0,0|2,0,0]=4 3524 B13R0.421 C=CCN(C#N)C(=O)CCCCCO 450e00df18e2697d9096aa80bec9ddc0 [0,2,0,0,0,0|2,0,0]=4 3525 B13R0.421 C=CCN(C#N)C(=O)CCCCCS a82900961504d770500bc695cc26a4e7 [0,2,0,0,0,0|2,0,0]=4 3526 B13R0.421 C=CCN(C#N)C(=O)CCOCCC 574ffc8c6a9179a27ed0e9b5f916a910 [0,2,0,0,0,0|2,0,0]=4 3527 B13R0.421 C=CCN(C#N)C(=O)COCCCC 4b527bfc011fa2e6f759249479a1e05d [0,2,0,0,0,0|2,0,0]=4 3528 B13R0.421 C=CCN(C#N)C(=O)CSCCCC be5c813c3b0f07dc11963a8ac95201a7 [0,2,0,0,0,0|2,0,0]=4 3529 B13R0.421 C=CCN(C#N)C(=O)NCCCCC 3b230ee4cddb0dff8945f6b7337ebe2c [0,2,0,0,0,0|2,0,0]=4 3530 B13R0.438 CCCCCCC(=O)N(C)CC(=O)N 719c45c912a25afd4aa4b3731ae896f9 [0,2,0,0,0,0|2,0,0]=4 3531 B13R0.1182 C=CCC(F)(F)C(=O)NCCCCC 07b88adb5eced05ab1e9faae9ac025d7 [0,2,0,0,0,0|2,0,0]=4 3532 B13R0.1283 C=CCN(C)C(=O)C(=O)CCCCC a2728da6a8fe6603c53b0f47e4f4f975 [0,2,0,0,0,0|1,0,1]=4 3533 B13R0.1283 C=CCN(C)C(=O)C(C)SCCCC 5896984ad2b010f26d4a82bac7c3c77c [0,2,0,0,0,0|2,0,0]=4 3534 B13R0.1283 C=CCN(C)C(=O)C(O)CCCCC a7b161c1084a30d61cce3a99498bb641 [0,2,0,0,0,0|1,0,0]=3 3535 B13R0.66 C#CCCCCCNC(=O)CCC=C 94122076eabd71665a4f8c44c384f3b8 [0,2,0,0,0,0|1,0,1]=4 3536 B13R0.66 C#CCCCCNCC(=O)NCC=C 45566ed845c6dd59e2295e1860237ef2 [0,2,0,0,0,0|1,0,1]=4 3537 B13R0.66 C#CCCCCNCC(=O)OCC=C 951b9e3363fd005f2b0f91d96d2aa959 [0,2,0,0,0,0|0,0,1]=3 3538 B13R0.66 C#CCCCCOCC(=O)NCC=C 64c5ba40a39a6ea0d463cbcc9e49418c [0,2,0,0,0,0|1,0,1]=4 3539 B13R0.66 C#CCCCCOCC(=O)OCC=C f3e42f82ec2598fe05e11eaa87d2c4bc [0,2,0,0,0,0|0,0,1]=3 3540 B13R0.66 C#CCCCNCCC(=O)NCC=C 346ee0e92f8263bab4354da46bf774ed [0,2,0,0,0,0|1,0,1]=4 3541 B13R0.66 C#CCCCOCCC(=O)NCC=C 5ea6394d492f527939618184cadf3e15 [0,2,0,0,0,0|1,0,1]=4 3542 B13R0.66 C#CCCNCCCC(=O)OCC=C c5d325b4b92caf77c998e0a5791c7176 [0,2,0,0,0,0|0,0,1]=3 3543 B13R0.66 C#CCCOCCCC(=O)OCC=C f3d24e9b938704240da2a20aa2366bba [0,2,0,0,0,0|0,0,1]=3 3544 B13R0.66 C#CCOCCCCC(=O)OCC=C 74fd619dd8253fad27056dd1b267c7f5 [0,2,0,0,0,0|0,0,1]=3 3545 B13R0.66 C#CCOCCNCC(=O)OCC=C 0efe22e7f4d3499bef290b5a7df7a409 [0,2,0,0,0,0|0,0,2]=4 3546 B13R0.66 C#CCOCCOCC(=O)OCC=C 1faa51dc5daefcf917562059e3b228b1 [0,2,0,0,0,0|0,0,2]=4 3547 B13R0.66 C=C/C=C/C(=O)NCCCCCCC 658faae13af8817da80746c74b0423b2 [0,2,0,0,0,0|1,0,1]=4 3548 B13R0.66 C=C/C=C/C(=O)NCCCCCCCl 3b6d0119996bd3ab867fe2d6fc26d12f [0,2,0,0,0,0|1,0,1]=4 3549 B13R0.66 C=C/C=C/C(=O)NCCCCCCO 3b87e8d5ef91dafbf5c78ed78d707128 [0,2,0,0,0,0|1,0,1]=4 3550 B13R0.66 C=C/C=C/C(=O)NCCCCCOC c1f8fb9f88485a3519759288fc583f7c [0,2,0,0,0,0|1,0,1]=4 3551 B13R0.66 C=C/C=C/C(=O)NCCCCSCC 1cc23536052a3e934e418969126524e8 [0,2,0,0,0,0|1,0,1]=4 3552 B13R0.66 C=C/C=C/C(=O)NCCCOCCC f41304f03eecedfc417eb5c340db5e44 [0,2,0,0,0,0|1,0,1]=4 3553 B13R0.66 C=C/C=C/C(=O)NCCOCCCC a3cae35cf91a465b5b522d62d428541f [0,2,0,0,0,0|1,0,1]=4 3554 B13R0.66 C=C/C=C\C(=O)NCCCCCCC 366e9b966c9ce570917adeb7ab3d35a7 [0,2,0,0,0,0|1,0,1]=4 3555 B13R0.66 C=C/C=C\C(=O)NCCCCCCCl f3e34c64e8266185add346674d4ea0e6 [0,2,0,0,0,0|1,0,1]=4 3556 B13R0.66 C=C/C=C\C(=O)NCCCCCCO a82477919eac3e6abe7ff470b12fc04b [0,2,0,0,0,0|1,0,1]=4 3557 B13R0.66 C=C/C=C\C(=O)NCCCCCOC 055fe40ec4479ffff1ba00a0e32092e0 [0,2,0,0,0,0|1,0,1]=4 3558 B13R0.66 C=C/C=C\C(=O)NCCCCSCC 48455d9248293c256295083cfa1ce26c [0,2,0,0,0,0|1,0,1]=4 3559 B13R0.66 C=C/C=C\C(=O)NCCCOCCC 08a414da5bce53d589e0cc6e3b77c18f [0,2,0,0,0,0|1,0,1]=4 3560 B13R0.66 C=C/C=C\C(=O)NCCOCCCC 2bab2b119f6d1eb3cffcfb655d437759 [0,2,0,0,0,0|1,0,1]=4 3561 B13R0.66 C=CC=CC(=O)NCCCCCCC 81c3be3485445a98d8c46a45d0ac8248 [0,2,0,0,0,0|1,0,1]=4 3562 B13R0.66 C=CC=CC(=O)NCCCCCCCl 7a6290e6b721a670f2fef4001b46afaa [0,2,0,0,0,0|1,0,1]=4 3563 B13R0.66 C=CC=CC(=O)NCCCCCCO a7a87f1b9a241ee0a27fc552a199966e [0,2,0,0,0,0|1,0,1]=4 3564 B13R0.66 C=CC=CC(=O)NCCCCCOC e009c9e76d5f504a6e75e27eeed261e1 [0,2,0,0,0,0|1,0,1]=4 3565 B13R0.66 C=CC=CC(=O)NCCCCSCC 0bd932cdab97744d13a702ebbe0ed7c0 [0,2,0,0,0,0|1,0,1]=4 3566 B13R0.66 C=CC=CC(=O)NCCCOCCC 84775d413c4a1e71eed04c86eadf740f [0,2,0,0,0,0|1,0,1]=4 3567 B13R0.66 C=CC=CC(=O)NCCOCCCC a8e1ccb5ebb5a7602cf60a8a29c5ce76 [0,2,0,0,0,0|1,0,1]=4 3568 B13R0.66 C=CCCC(=O)NCCCCCC#N d90ac8eb957a6b51b9eb57f344cedec0 [0,2,0,0,0,0|1,0,1]=4 3569 B13R0.66 C=CCCC(=O)NCCCCCCC 762baa5360916598390cbd3bd4a6665c [0,2,0,0,0,0|1,0,0]=3 3570 B13R0.66 C=CCCC(=O)NCCCCCCCl d6ba93aff4ab4b26fbdf7abe920b20c6 [0,2,0,0,0,0|1,0,0]=3 3571 B13R0.66 C=CCCC(=O)NCCCCCCO f3192e0ba19d2c4c12875ec13010a0d0 [0,2,0,0,0,0|1,0,0]=3 3572 B13R0.66 C=CCCC(=O)NCCCCCOC 54bb05c82999e7eab2b8ade2a6f52a4e [0,2,0,0,0,0|1,0,0]=3 3573 B13R0.66 C=CCCC(=O)NCCCCSCC c4b63d825d20048e3a79feb38cc32828 [0,2,0,0,0,0|1,0,0]=3 3574 B13R0.66 C=CCCC(=O)NCCCOCCC e21d85330b8aecfaeb2a30960953e3cc [0,2,0,0,0,0|1,0,0]=3 3575 B13R0.66 C=CCCC(=O)NCCCOCCO c7dfb3973a5cffec898860c4db809765 [0,2,0,0,0,0|2,0,0]=4 3576 B13R0.66 C=CCCC(=O)NCCOCCCC b6036625d322b75b52ade80da34a789c [0,2,0,0,0,0|1,0,0]=3 3577 B13R0.66 C=CCCC(=O)NCCOCCCO 0ec421c4c0bd1e36e74a2d1d85b2fc8e [0,2,0,0,0,0|2,0,0]=4 3578 B13R0.66 C=CCCC(=O)NCCOCCOC a0ea425ca84a4e60bf616559a32b3aca [0,2,0,0,0,0|2,0,0]=4 3579 B13R0.66 C=CCCCCCC[C@@H](C)OCC=C 7f497200c009f63b9e12131bb422418a [0,2,0,0,0,0|1,0,1]=4 3580 B13R0.66 C=CCCCCCNC(=O)CCC=C d7aeea67232b90c1dbc45113063d3f35 [0,2,0,0,0,0|1,0,1]=4 3581 B13R0.66 C=CCCCCNCC(=O)NCC=C 05a96bd05014818eea4ec17dda6ad02e [0,2,0,0,0,0|1,0,1]=4 3582 B13R0.66 C=CCCCCNCC(=O)OCC=C f560f1d82b3629112877878e1a76a262 [0,2,0,0,0,0|0,0,1]=3 3583 B13R0.66 C=CCCCCOCC(=O)NCC=C cc6713ebcb697b9fd92de1b97f550f96 [0,2,0,0,0,0|1,0,1]=4 3584 B13R0.66 C=CCCCCOCC(=O)OCC=C adcce760315121acddc237a19339d1ca [0,2,0,0,0,0|0,0,1]=3 3585 B13R0.66 C=CCCCNCCC(=O)NCC=C 43dd64227e927dcfc6a264b38c71b012 [0,2,0,0,0,0|1,0,1]=4 3586 B13R0.66 C=CCCCOCCC(=O)NCC=C 341c126af60b2c24cffdefda91875228 [0,2,0,0,0,0|1,0,1]=4 3587 B13R0.66 C=CCCNCCCC(=O)OCC=C 2a59e54be1211ea9c91e60a71ff5dc49 [0,2,0,0,0,0|0,0,1]=3 3588 B13R0.66 C=CCCOCCCC(=O)OCC=C 6942ff54e5c0fa99246348834b94a058 [0,2,0,0,0,0|0,0,1]=3 3589 B13R0.66 C=CCNC(=O)CCNCCCC#N 602a1004494f7266929638890c852e4d [0,2,0,0,0,0|1,0,1]=4 3590 B13R0.66 C=CCNC(=O)CCNCCCCC 65d1b22233e77046b4617fae720097c0 [0,2,0,0,0,0|1,0,0]=3 3591 B13R0.66 C=CCNC(=O)CCNCCCCCl 983ea4b710e0e2a9c4785e70a3223229 [0,2,0,0,0,0|1,0,0]=3 3592 B13R0.66 C=CCNC(=O)CCNCCCCO af4e8661b358ef75542b104a31b0edd2 [0,2,0,0,0,0|1,0,0]=3 3593 B13R0.66 C=CCNC(=O)CCNCCCCS be87d051c6ce24887cbd887734257553 [0,2,0,0,0,0|1,0,0]=3 3594 B13R0.66 C=CCNC(=O)CCNCCCOC c11772e86a2b1812b4c001d7e7d4c5f2 [0,2,0,0,0,0|1,0,0]=3 3595 B13R0.66 C=CCNC(=O)CCNCCCSC f5600cf980ae4137147a84252016fee2 [0,2,0,0,0,0|1,0,0]=3 3596 B13R0.66 C=CCNC(=O)CCNCCOCC feadea7de0e256f317cf5194f3f01265 [0,2,0,0,0,0|1,0,0]=3 3597 B13R0.66 C=CCNC(=O)CCNCCSCC 19306c6d297f3336ad9f1b517cb3af49 [0,2,0,0,0,0|1,0,0]=3 3598 B13R0.66 C=CCNC(=O)CCOC/C=C/CC 8cc4fee972388dc2c643b74330f27fd3 [0,2,0,0,0,0|1,0,1]=4 3599 B13R0.66 C=CCNC(=O)CCOC/C=C\CC 83f15968c0635a46c6e62e83108fdeee [0,2,0,0,0,0|1,0,1]=4 3600 B13R0.66 C=CCNC(=O)CCOCC#CCC fea8f130187159f03af47ac5ce334c63 [0,2,0,0,0,0|1,0,1]=4 3601 B13R0.66 C=CCNC(=O)CCOCC/C=C/C 3fe4ab4bc17caa987555e5160ebf42f4 [0,2,0,0,0,0|1,0,1]=4 3602 B13R0.66 C=CCNC(=O)CCOCCC#CC 24aee1f28b41696f451019e4a7775c94 [0,2,0,0,0,0|1,0,1]=4 3603 B13R0.66 C=CCNC(=O)CCOCCCC#N 931abd4e079322d862824873fbc5d8b3 [0,2,0,0,0,0|1,0,1]=4 3604 B13R0.66 C=CCNC(=O)CCOCCCC=O a61e29f64db614366fce47fc026f0666 [0,2,0,0,0,0|1,0,1]=4 3605 B13R0.66 C=CCNC(=O)CCOCCCCC 2e6e7fc7fc4d3601ad143fd8a0ab5921 [0,2,0,0,0,0|1,0,0]=3 3606 B13R0.66 C=CCNC(=O)CCOCCCCF 72da8760563e82d7280e083559ab42cb [0,2,0,0,0,0|1,0,0]=3 3607 B13R0.66 C=CCNC(=O)CCOCCCCS 8ddb2b6b462dd7078b6c1bc699d966a1 [0,2,0,0,0,0|1,0,0]=3 3608 B13R0.66 C=CCNC(=O)CCOCCCOC 5c8bc87db805a1c5d788bdf8cf539141 [0,2,0,0,0,0|1,0,0]=3 3609 B13R0.66 C=CCNC(=O)CCOCCCSC 7e1b13ed359797036773243623566f3a [0,2,0,0,0,0|1,0,0]=3 3610 B13R0.66 C=CCNC(=O)CCOCCOCC 661777fdc262b504983eea7609e0babb [0,2,0,0,0,0|1,0,0]=3 3611 B13R0.66 C=CCNC(=O)CCOCCSCC ca4bdccfcff718c798a411afae3e63d0 [0,2,0,0,0,0|1,0,0]=3 3612 B13R0.66 C=CCNC(=O)CNCCCCC#N d2d091ec0175d375372b2320df3821e6 [0,2,0,0,0,0|1,0,1]=4 3613 B13R0.66 C=CCNC(=O)CNCCCCCC ab1061318b2d7b281ef32d33798f2e13 [0,2,0,0,0,0|1,0,0]=3 3614 B13R0.66 C=CCNC(=O)CNCCCCCCl abf9da605d4be7d1881730ab8a183aef [0,2,0,0,0,0|1,0,0]=3 3615 B13R0.66 C=CCNC(=O)CNCCCCCO 622c6aa1855ec1bc796ebd0b38ec0e45 [0,2,0,0,0,0|1,0,0]=3 3616 B13R0.66 C=CCNC(=O)CNCCCCOC 878bb3f3193403323d6373eb660a65b2 [0,2,0,0,0,0|1,0,0]=3 3617 B13R0.66 C=CCNC(=O)CNCCCCSC a5f1b5dd6200fe5a697662da82a2beb7 [0,2,0,0,0,0|1,0,0]=3 3618 B13R0.66 C=CCNC(=O)CNCCCOCC 05ff2338c38b7c0188f8a0d72149e468 [0,2,0,0,0,0|1,0,0]=3 3619 B13R0.66 C=CCNC(=O)CNCCOCCC e4b58b81802c7e0a4f3cc986d3aea9e8 [0,2,0,0,0,0|1,0,0]=3 3620 B13R0.66 C=CCNC(=O)CNCCOCCO 11792d560cddaec531e00ffbc0f1fc95 [0,2,0,0,0,0|2,0,0]=4 3621 B13R0.66 C=CCNC(=O)CNCCOCCS c91a1e51f52ae513a74fac2c7e787b12 [0,2,0,0,0,0|2,0,0]=4 3622 B13R0.66 C=CCNC(=O)CNCCSCCO 356464827853e8671fefcc814b7635f9 [0,2,0,0,0,0|2,0,0]=4 3623 B13R0.66 C=CCNC(=O)COC/C=C/CCC c58ce546758d484eba21e1c6898ad549 [0,2,0,0,0,0|1,0,1]=4 3624 B13R0.66 C=CCNC(=O)COC/C=C\CCC 8813c4af86bd40baa7536389306a0ad7 [0,2,0,0,0,0|1,0,1]=4 3625 B13R0.66 C=CCNC(=O)COCC#CCCC 5bafc863088b6770810cd8c1fd717674 [0,2,0,0,0,0|1,0,1]=4 3626 B13R0.66 C=CCNC(=O)COCC/C=C/CC a8ab56425837846ad28f1da9cb47a700 [0,2,0,0,0,0|1,0,1]=4 3627 B13R0.66 C=CCNC(=O)COCC/C=C\CC ef825f2d20288310c01a5e8e3d698071 [0,2,0,0,0,0|1,0,1]=4 3628 B13R0.66 C=CCNC(=O)COCCC#CCC a78b5f08cd99f30ef94a8b7a2e545f86 [0,2,0,0,0,0|1,0,1]=4 3629 B13R0.66 C=CCNC(=O)COCCC/C=C/C d1f55d341fb88353e961be66b94ad988 [0,2,0,0,0,0|1,0,1]=4 3630 B13R0.66 C=CCNC(=O)COCCC/C=C\C 80e397f5163d53cd7f15bcb2ea8de4f7 [0,2,0,0,0,0|1,0,1]=4 3631 B13R0.66 C=CCNC(=O)COCCCC#CC 1b493ea953729695f48363f748c59577 [0,2,0,0,0,0|1,0,1]=4 3632 B13R0.66 C=CCNC(=O)COCCCC=CC 298d8013e00b3492ab6d1a9cdadb682d [0,2,0,0,0,0|1,0,1]=4 3633 B13R0.66 C=CCNC(=O)COCCCCC#N 56aedd234929810bfa971841c9d8acc3 [0,2,0,0,0,0|1,0,1]=4 3634 B13R0.66 C=CCNC(=O)COCCCCC=O 0de14a72779aba19ca66a2a5cd6ba3f8 [0,2,0,0,0,0|1,0,1]=4 3635 B13R0.66 C=CCNC(=O)COCCCCCC 5363948a8b768ecf24fa43cc0e8fd308 [0,2,0,0,0,0|1,0,0]=3 3636 B13R0.66 C=CCNC(=O)COCCCCCF 9c3bcb563b0e5f01b69e97d0a7e040cc [0,2,0,0,0,0|1,0,0]=3 3637 B13R0.66 C=CCNC(=O)COCCCCOC 014604028b46ba0ba46df76b86edd5e0 [0,2,0,0,0,0|1,0,0]=3 3638 B13R0.66 C=CCNC(=O)COCCCCSC 3b19fcbfbb8917f51a8c01bfb9aa3d49 [0,2,0,0,0,0|1,0,0]=3 3639 B13R0.66 C=CCNC(=O)COCCCOCC b3f291a93e11948dc1006ac8a0b9d582 [0,2,0,0,0,0|1,0,0]=3 3640 B13R0.66 C=CCNC(=O)COCCCSCC 14686b8593faa1a980dada85264f5355 [0,2,0,0,0,0|1,0,0]=3 3641 B13R0.66 C=CCNC(=O)COCCOCCC ad735deeb2a1a2122c4a2e3eb93a813c [0,2,0,0,0,0|1,0,0]=3 3642 B13R0.66 C=CCNC(=O)COCCOCCF a55b2fbddd3624e7b9ebf5a039bf8852 [0,2,0,0,0,0|2,0,0]=4 3643 B13R0.66 C=CCNC(=O)COCCOCCS e3fbe80b24b54a025895e7913d476ebb [0,2,0,0,0,0|2,0,0]=4 3644 B13R0.66 C=CCNC(=O)COCCOCOC c762f1e044dbb3bba85b0d415964e6a9 [0,2,0,0,0,0|2,0,0]=4 3645 B13R0.66 C=CCNC(=O)COCCSCCC 6d079dcf825c02b923fadd0e7f36f770 [0,2,0,0,0,0|1,0,0]=3 3646 B13R0.66 C=CCNC(=O)COCOCCCC e98d6d0e32de5d61cfd2f8ad87764d37 [0,2,0,0,0,0|1,0,0]=3 3647 B13R0.66 C=CCNC(=O)COCOCCOC d3d31ea78bbdb7ec11a361685993305f [0,2,0,0,0,0|2,0,0]=4 3648 B13R0.66 C=CCNC(=S)NCCOCCCC 84a3c742d36a0cbb45836c3c4a3b6231 [0,2,0,0,0,0|1,1,0]=4 3649 B13R0.66 C=CCOC(=O)CCCCOCC#N 6c0c08d3bc559b11a67f4add7934d521 [0,2,0,0,0,0|0,0,1]=3 3650 B13R0.66 C=CCOC(=O)CCCCOCC=O 0d4754bc65f4678d1b40928bc1b94bdd [0,2,0,0,0,0|0,0,1]=3 3651 B13R0.66 C=CCOC(=O)CCCCOCCC 22979ad0fb98a1bee0bd866f439a0b42 [0,2,0,0,0,0|0,0,0]=2 3652 B13R0.66 C=CCOC(=O)CCCCOCCF d4963f3d75be0344c1b1f3fad40f47e6 [0,2,0,0,0,0|0,0,0]=2 3653 B13R0.66 C=CCOC(=O)CCCCOCCS e9215b6061193498017c86f6ccb7d28a [0,2,0,0,0,0|0,0,0]=2 3654 B13R0.66 C=CCOC(=O)CCCCOCOC 1f277ec1c64753ed0e197461ab3ffe8f [0,2,0,0,0,0|0,0,0]=2 3655 B13R0.66 C=CCOC(=O)CCCCOCSC f0db2490f33f4a969edb1b3511b0fb51 [0,2,0,0,0,0|0,0,0]=2 3656 B13R0.66 C=CCOC(=O)CCCNCC#CC e7a8c156770b892d975a1efc46f5bd24 [0,2,0,0,0,0|0,0,1]=3 3657 B13R0.66 C=CCOC(=O)CCCNCC=CC 297399a865461531848874149e955b3c [0,2,0,0,0,0|0,0,1]=3 3658 B13R0.66 C=CCOC(=O)CCCNCCC#N 78898f0a8f3614ed68b0020192588976 [0,2,0,0,0,0|0,0,1]=3 3659 B13R0.66 C=CCOC(=O)CCCNCCCC 0a87df4a133b6d703fd66654347aafd7 [0,2,0,0,0,0|0,0,0]=2 3660 B13R0.66 C=CCOC(=O)CCCNCCCCl 8ea42f60341079cf6c2f1ad17ea530c7 [0,2,0,0,0,0|0,0,0]=2 3661 B13R0.66 C=CCOC(=O)CCCNCCCO 2bb4d5fc64411c47850ca919e289bdb1 [0,2,0,0,0,0|0,0,0]=2 3662 B13R0.66 C=CCOC(=O)CCCNCCOC b7262ceb5a10bb65edf00aa0267dfb9f [0,2,0,0,0,0|0,0,0]=2 3663 B13R0.66 C=CCOC(=O)CCCNCCON 0a56ff5573ef27169c93911376bad607 [0,2,0,0,0,0|1,0,0]=3 3664 B13R0.66 C=CCOC(=O)CCCNCCSC f90478bc5d1117f6dae270ffd2ddc31d [0,2,0,0,0,0|0,0,0]=2 3665 B13R0.66 C=CCOC(=O)CCCOC/C=C/C 2cc5b2cd02f9bdb2d33e83592d1322b4 [0,2,0,0,0,0|0,0,1]=3 3666 B13R0.66 C=CCOC(=O)CCCOC/C=C/Cl 82dcc3039b0443986188164098f12e99 [0,2,0,0,0,0|0,0,2]=4 3667 B13R0.66 C=CCOC(=O)CCCOC/C=C\C d80a40323efe29f9a8ad83b0be80f306 [0,2,0,0,0,0|0,0,1]=3 3668 B13R0.66 C=CCOC(=O)CCCOCC#CC 78af3083ab76059e4eecdbf6aa58e7c8 [0,2,0,0,0,0|0,0,1]=3 3669 B13R0.66 C=CCOC(=O)CCCOCC#CI ae17b7152ded1096f589c1c320bed0ee [0,2,0,0,0,0|0,0,2]=4 3670 B13R0.66 C=CCOC(=O)CCCOCC=CC 02ddd77e928dbc140b01f634e563f71e [0,2,0,0,0,0|0,0,1]=3 3671 B13R0.66 C=CCOC(=O)CCCOCC=CCl 52aeb66bab5ed23da17a5e62e012f3b0 [0,2,0,0,0,0|0,0,2]=4 3672 B13R0.66 C=CCOC(=O)CCCOCCC#N 5223fc312b618bbb6b04220c97622e04 [0,2,0,0,0,0|0,0,1]=3 3673 B13R0.66 C=CCOC(=O)CCCOCCC=O efb2b879710345a6ff058b164365d1a7 [0,2,0,0,0,0|0,0,1]=3 3674 B13R0.66 C=CCOC(=O)CCCOCCCC 106821361241b6f95d05a1c684ed688d [0,2,0,0,0,0|0,0,0]=2 3675 B13R0.66 C=CCOC(=O)CCCOCCCF cdebd40a7bec109bf3eacfdc8f149b33 [0,2,0,0,0,0|0,0,0]=2 3676 B13R0.66 C=CCOC(=O)CCCOCCCS 3f84743cf838935cb2b581364762363d [0,2,0,0,0,0|0,0,0]=2 3677 B13R0.66 C=CCOC(=O)CCCOCCOC 5f1c1b00cc45b466c6d61cc107ef23ed [0,2,0,0,0,0|0,0,0]=2 3678 B13R0.66 C=CCOC(=O)CCCOCCSC bf1c2cf866bd67c13b76ef15bebaccd4 [0,2,0,0,0,0|0,0,0]=2 3679 B13R0.66 C=CCOC(=O)CNCCCCC#N 096eea22bf92b8990ad350c307ef8dfb [0,2,0,0,0,0|0,0,1]=3 3680 B13R0.66 C=CCOC(=O)CNCCCCCC b54609cac5c7a060c87555f23bc72611 [0,2,0,0,0,0|0,0,0]=2 3681 B13R0.66 C=CCOC(=O)CNCCCCCCl 55fd26345b2968bdcdb6a6eef078fc7f [0,2,0,0,0,0|0,0,0]=2 3682 B13R0.66 C=CCOC(=O)CNCCCCCO a96fc04c16fad4cd6e50a6c78ea2a413 [0,2,0,0,0,0|0,0,0]=2 3683 B13R0.66 C=CCOC(=O)CNCCCCOC 11b244d2cbeea153efa3b75a28a16684 [0,2,0,0,0,0|0,0,0]=2 3684 B13R0.66 C=CCOC(=O)CNCCCCSC 82cd96f5949710c087a703f4151a2d47 [0,2,0,0,0,0|0,0,0]=2 3685 B13R0.66 C=CCOC(=O)CNCCCOC=C 3b3f1320c68a95382b99e4c6890e771f [0,2,0,0,0,0|0,0,2]=4 3686 B13R0.66 C=CCOC(=O)CNCCCOCC b8cc35a0cc092c06faec54f0ba5a9ba7 [0,2,0,0,0,0|0,0,0]=2 3687 B13R0.66 C=CCOC(=O)CNCCOCCC 771329d9f774c1712c4db708c3487b83 [0,2,0,0,0,0|0,0,0]=2 3688 B13R0.66 C=CCOC(=O)CNCCOCCO a5b3834e8b8baf4dfc753416487783da [0,2,0,0,0,0|1,0,0]=3 3689 B13R0.66 C=CCOC(=O)CNCCOCCS 0aab95f1efd5f0e49110fc7a88a9a9dd [0,2,0,0,0,0|1,0,0]=3 3690 B13R0.66 C=CCOC(=O)CNCCSCCO 0c9592c90835fb3bda89144dfe2107ff [0,2,0,0,0,0|1,0,0]=3 3691 B13R0.66 C=CCOC(=O)COC/C=C/CCC 00d2507d5f243e962cf3a0f06f9775c0 [0,2,0,0,0,0|0,0,1]=3 3692 B13R0.66 C=CCOC(=O)COC/C=C\CCC abf205e6a986eb196f06c1a90fa3fa45 [0,2,0,0,0,0|0,0,1]=3 3693 B13R0.66 C=CCOC(=O)COCC#CCCC 9e96cdbcc01fdaa943c09c8b794938af [0,2,0,0,0,0|0,0,1]=3 3694 B13R0.66 C=CCOC(=O)COCC/C=C/CC 2c48bad1fa06a4c7afb72c1a0d276d1f [0,2,0,0,0,0|0,0,1]=3 3695 B13R0.66 C=CCOC(=O)COCC/C=C\CC b24d8ea74229c511a3067883b7c90404 [0,2,0,0,0,0|0,0,1]=3 3696 B13R0.66 C=CCOC(=O)COCCC#CCC 25ad069aca05cdbafbe0f6b0c6ed9c0a [0,2,0,0,0,0|0,0,1]=3 3697 B13R0.66 C=CCOC(=O)COCCC/C=C/C 43eab5868e35d2cd8c7c5e0168ea743b [0,2,0,0,0,0|0,0,1]=3 3698 B13R0.66 C=CCOC(=O)COCCC/C=C\C 5385a0e3c36df36b3c8688e3de84c68d [0,2,0,0,0,0|0,0,1]=3 3699 B13R0.66 C=CCOC(=O)COCCC=C=CC 1655a510aacd4f88fc0820d99f18fc22 [0,2,0,0,0,0|0,0,2]=4 3700 B13R0.66 C=CCOC(=O)COCCCC#CC 98b0d3e45c55de816d0cc77f10ae01b4 [0,2,0,0,0,0|0,0,1]=3 3701 B13R0.66 C=CCOC(=O)COCCCC=CC 605515fc4e202ca76fdaf6a802647d0d [0,2,0,0,0,0|0,0,1]=3 3702 B13R0.66 C=CCOC(=O)COCCCCC#N 65e04e4df41fcf9523b6c3e38941908a [0,2,0,0,0,0|0,0,1]=3 3703 B13R0.66 C=CCOC(=O)COCCCCC=O 4a78877f8865421ce14557da29e153fd [0,2,0,0,0,0|0,0,1]=3 3704 B13R0.66 C=CCOC(=O)COCCCCCC ec0c196f9aed959ee44d1a0f5a4adc0b [0,2,0,0,0,0|0,0,0]=2 3705 B13R0.66 C=CCOC(=O)COCCCCOC 88ac35abe5ed478227d139a051e02beb [0,2,0,0,0,0|0,0,0]=2 3706 B13R0.66 C=CCOC(=O)COCCCCSC 3444295cf095ea1bf5a3e43d62e066ee [0,2,0,0,0,0|0,0,0]=2 3707 B13R0.66 C=CCOC(=O)COCCCOCC 7756153f18db73077ff6dd4d49805198 [0,2,0,0,0,0|0,0,0]=2 3708 B13R0.66 C=CCOC(=O)COCCCSCC 62b24b9d08141b8ecbad58d2ff1ef0ee [0,2,0,0,0,0|0,0,0]=2 3709 B13R0.66 C=CCOC(=O)COCCOCC=O a87aa0e9478ff800936b497c793341aa [0,2,0,0,0,0|1,0,1]=4 3710 B13R0.66 C=CCOC(=O)COCCOCCC d67573f8e1c8ac98396411ea02320aea [0,2,0,0,0,0|0,0,0]=2 3711 B13R0.66 C=CCOC(=O)COCCOCCF e506c7165995fe323759836f0bdfc239 [0,2,0,0,0,0|1,0,0]=3 3712 B13R0.66 C=CCOC(=O)COCCOCCS d71054eee447fac900cb6d9105f4a4ec [0,2,0,0,0,0|1,0,0]=3 3713 B13R0.66 C=CCOC(=O)COCCSCCC c8b7d7ed22ea13a2d517cd8a1a1999fd [0,2,0,0,0,0|0,0,0]=2 3714 B13R0.66 C=CCOC(C)CCCCCCCC 705a0b3c8a60f0d19b860d2b9f222fb6 [0,2,0,0,0,0|1,0,1]=4 3715 B13R0.66 C=CCOCCCCC(=O)OCC=C a5dbed73e85b1d8f48862514d7ea50c3 [0,2,0,0,0,0|0,0,1]=3 3716 B13R0.66 C=CCOCCOCC(=O)OCC=C adcaf5eff74d788236bf4cfb4692c9ef [0,2,0,0,0,0|0,0,2]=4 3717 B13R0.66 C=CCO[C@H](C)CCCCCCCC 8fc1ebbe68438c3b5dc7636bdde82cf7 [0,2,0,0,0,0|1,0,1]=4 3718 B13R0.66 CCCCCCCNC(=O)CCC=O d543c5e1dfeb282553df92766b7374bb [0,2,0,0,0,0|2,0,0]=4 3719 B13R0.66 CCCCCCNCC(=O)OCCC c0090dd4195476203dacc60184ad7591 [0,2,0,0,0,0|0,0,2]=4 3720 B13R0.66 CCCCCCOCC(=O)OCCC d005979674755503a456ea7894191e9e [0,2,0,0,0,0|0,0,2]=4 3721 B13R0.66 CCCCCNCOC(=O)OCCC 4dd0cdfa02480877d468e904e316e0a7 [0,2,0,0,0,0|0,0,2]=4 3722 B13R0.66 CCCCCOCCC(=O)OCCC a91e7cdc87998b13256ef3a984b018cc [0,2,0,0,0,0|0,0,2]=4 3723 B13R0.66 CCCCCOCOC(=O)OCCC 2b9c07fc63ba8f501ff6f882c30d4e2e [0,2,0,0,0,0|0,0,2]=4 3724 B13R0.66 CCCCOCCNC(=O)CCC=O 27a23f5a6c960d33343763f74a133b43 [0,2,0,0,0,0|2,0,0]=4 3725 B13R0.66 CCCOC(=O)CCOCCCCF 88136b990b0757dbc8e0264fe6fe9d63 [0,2,0,0,0,0|0,0,2]=4 3726 B13R0.66 CCCOC(=O)CCOCCCOC 84eb590b18853f3a405c06ab786dedf5 [0,2,0,0,0,0|0,0,2]=4 3727 B13R0.66 CCCOC(=O)CCOCCCSC 1268183aa3d7287af71d1c26a98d283d [0,2,0,0,0,0|0,0,2]=4 3728 B13R0.66 CCCOC(=O)CCOCCOCC 034d43d245f6fbe79f1c904b0278e543 [0,2,0,0,0,0|0,0,2]=4 3729 B13R0.66 CCCOC(=O)CCOCCSCC 5f2c3f6eff31bcec0daaa922076ed526 [0,2,0,0,0,0|0,0,2]=4 3730 B13R0.66 CCCOC(=O)CNCCCCCCl 3b0d646cc3cebeb0f7683cfc0f99412d [0,2,0,0,0,0|0,0,2]=4 3731 B13R0.66 CCCOC(=O)CNCCCCCO 20711b85e2c6c17931e564ab86beaddc [0,2,0,0,0,0|0,0,2]=4 3732 B13R0.66 CCCOC(=O)CNCCCCOC 3bea7d9f703b48a35619b6425d88d7ca [0,2,0,0,0,0|0,0,2]=4 3733 B13R0.66 CCCOC(=O)CNCCCCSC d6084142270d2ba14a00c945fd2f38da [0,2,0,0,0,0|0,0,2]=4 3734 B13R0.66 CCCOC(=O)CNCCCOCC 1d5f9a80324e10fe067b6128d0e248ae [0,2,0,0,0,0|0,0,2]=4 3735 B13R0.66 CCCOC(=O)COCCCCOC 036e1541658229fec68d15d18233a9a5 [0,2,0,0,0,0|0,0,2]=4 3736 B13R0.66 CCCOC(=O)COCCCCSC 33a82bd3f74218fca561dbef146a997d [0,2,0,0,0,0|0,0,2]=4 3737 B13R0.66 CCCOC(=O)COCCCOCC d0b0560035f27e3c01dd496291fb2b25 [0,2,0,0,0,0|0,0,2]=4 3738 B13R0.66 CCCOC(=O)COCCCSCC 954da4a6f104f3a7e52a22b2f6484837 [0,2,0,0,0,0|0,0,2]=4 3739 B13R0.66 CCCOC(=O)COCCSCCC 01b24229302f2b6fb3767b943378e591 [0,2,0,0,0,0|0,0,2]=4 3740 B13R0.66 CCCOCCCNC(=O)CCC=O f967b1463fa9e0b135364146124b159c [0,2,0,0,0,0|2,0,0]=4 3741 B13R0.66 CCCOCCNCC(=O)OCCC 32584242bc8a9e14c6bb54870694b898 [0,2,0,0,0,0|0,0,2]=4 3742 B13R0.66 CCCOCCOCC(=O)OCCC 7ba8198de6093b9c50828d348eca7544 [0,2,0,0,0,0|0,0,2]=4 3743 B13R0.66 CCSCCCCNC(=O)CCC=O 4658ab44ad7c73cce4feb294ec709b6e [0,2,0,0,0,0|2,0,0]=4 3744 B13R0.66 COCCCCCNC(=O)CCC=O a755dbd6206220519120fba3be0fac0e [0,2,0,0,0,0|2,0,0]=4 3745 B13R0.66 O=CCCC(=O)NCCCCCCCl 84c76334532583374bd5d587d8c74cfb [0,2,0,0,0,0|2,0,0]=4 3746 B13R0.66 O=CCCC(=O)NCCCCCCO 9d80ec12b9e381b2b47dc5b9af9a4cc9 [0,2,0,0,0,0|2,0,0]=4 3747 B13R0.119 C=CCCC(=O)NCCCCC(F)F 23a94c74e069700b634f927424751ba6 [0,2,0,0,0,0|2,0,0]=4 3748 B13R0.119 C=CCCC(=O)NCCCCN(C)C 88362f4fb7535490f5eda02b5994ef28 [0,2,0,0,0,0|2,0,0]=4 3749 B13R0.119 C=CCCC(=O)NCCCOC(C)C f3db2e36b71e677925e0cad138eef94b [0,2,0,0,0,0|2,0,0]=4 3750 B13R0.119 C=CCCC(=O)NCCCSC(C)C 2b630338c593a0743a58eaed1249a780 [0,2,0,0,0,0|2,0,0]=4 3751 B13R0.119 C=CCNC(=O)CCNCCC(=C)C de4f3d0949a8aee77ee70a5453244727 [0,2,0,0,0,0|1,0,1]=4 3752 B13R0.119 C=CCNC(=O)CCNCCC(C)C 7622515d51561b6d516c95d6f7c115eb [0,2,0,0,0,0|1,0,0]=3 3753 B13R0.119 C=CCNC(=O)CCNCCC(C)O a10ab948dd636b09a6a32ea862297c73 [0,2,0,0,0,0|1,0,0]=3 3754 B13R0.119 C=CCNC(=O)CCNCCC(F)F 9c090634dcaf543f558d36f4770b7c85 [0,2,0,0,0,0|2,0,0]=4 3755 B13R0.119 C=CCNC(=O)CCNCCN(C)C 653568c7b23b04cae574842e5e13bee1 [0,2,0,0,0,0|2,0,0]=4 3756 B13R0.119 C=CCNC(=O)CCNCCS(=O)C 9204bc8145ada7c9b6c1ebfa33d77220 [0,2,0,0,0,0|2,0,0]=4 3757 B13R0.119 C=CCNC(=O)CCNCC[C@@H](C)O 6e7caca2f621c948b450be39cb9080b7 [0,2,0,0,0,0|1,0,0]=3 3758 B13R0.119 C=CCNC(=O)CCNCC[C@H](C)O 483b933d290ecdd646035a89245edc55 [0,2,0,0,0,0|1,0,0]=3 3759 B13R0.119 C=CCNC(=O)CCOCCC(=C)C e73e27d94285cad6a52259c48dfec692 [0,2,0,0,0,0|1,0,1]=4 3760 B13R0.119 C=CCNC(=O)CCOCCC(=O)C 57a61e9d9732fc43b65e86ee3659b1e7 [0,2,0,0,0,0|1,0,1]=4 3761 B13R0.119 C=CCNC(=O)CCOCCC(C)C da7167a61b43a53504bbeb334698f775 [0,2,0,0,0,0|1,0,0]=3 3762 B13R0.119 C=CCNC(=O)CCOCCC(F)F f745b45998a76bb202d9494cf460eb9d [0,2,0,0,0,0|2,0,0]=4 3763 B13R0.119 C=CCNC(=O)CCOCCN(C)C e06660ac5c14960cdf06d6706bee78cc [0,2,0,0,0,0|2,0,0]=4 3764 B13R0.119 C=CCNC(=O)CCOCCS(=O)C 923568b75d92f9f5c1912d6af6a50c48 [0,2,0,0,0,0|2,0,0]=4 3765 B13R0.119 C=CCNC(=O)CNCCCC(C)C c13ee2f445d103975172e7556f872948 [0,2,0,0,0,0|1,0,0]=3 3766 B13R0.119 C=CCNC(=O)CNCCCN(C)C 1de39251ea24837a0026aa5506f56c87 [0,2,0,0,0,0|2,0,0]=4 3767 B13R0.119 C=CCNC(=O)CNCCCS(=O)C f5338880c915c75abdb92ce0faa3475c [0,2,0,0,0,0|2,0,0]=4 3768 B13R0.119 C=CCNC(=O)CNCCOC(C)C e452e945788293adaf1bcbaa982e9d19 [0,2,0,0,0,0|2,0,0]=4 3769 B13R0.119 C=CCNC(=O)COCCCC(=C)C 7f1d2c98c363de08f6cb70aa2d4119fb [0,2,0,0,0,0|1,0,1]=4 3770 B13R0.119 C=CCNC(=O)COCCCC(=O)C bd2280d3ab6b086b90f59d5ecfe2c19c [0,2,0,0,0,0|1,0,1]=4 3771 B13R0.119 C=CCNC(=O)COCCCC(C)C 1e41019b58624a763e709b525e2ea7ec [0,2,0,0,0,0|1,0,0]=3 3772 B13R0.119 C=CCNC(=O)COCCCN(C)C e3442bdeabc8fc0489b4ea7a3e262599 [0,2,0,0,0,0|2,0,0]=4 3773 B13R0.119 C=CCNC(=O)COCCOC(C)C 4c949e60efff5c22505dfee3be62cfd4 [0,2,0,0,0,0|2,0,0]=4 3774 B13R0.119 C=CCNC(=O)COCCSC(C)C 077b608aae2ed37f57d074ec728d82bd [0,2,0,0,0,0|2,0,0]=4 3775 B13R0.119 C=CCOC(=O)CCCCOC(C)C b53b0a543b1b1e80bd8cfaf10b9c90e8 [0,2,0,0,0,0|0,0,0]=2 3776 B13R0.119 C=CCOC(=O)CCCNCC(=C)Br c389ed08d38fb83e2af772a258bcea2a [0,2,0,0,0,0|0,0,2]=4 3777 B13R0.119 C=CCOC(=O)CCCNCC(=C)C 7f0f7b59870c96ba086d7f6555b1b890 [0,2,0,0,0,0|0,0,1]=3 3778 B13R0.119 C=CCOC(=O)CCCNCC(=O)C 5b0198e0066f9c42e5c4217886c540be [0,2,0,0,0,0|0,0,1]=3 3779 B13R0.119 C=CCOC(=O)CCCNCC(=O)N 65075009c0ffc759d9c27c7cb3f895d2 [0,2,0,0,0,0|1,0,1]=4 3780 B13R0.119 C=CCOC(=O)CCCNCC(=O)O 2e889e4a9a374e8da74ed7ee18460a1c [0,2,0,0,0,0|1,0,1]=4 3781 B13R0.119 C=CCOC(=O)CCCNCC(C)C 7935629a751dfc6a0ce44838acfc00d2 [0,2,0,0,0,0|0,0,0]=2 3782 B13R0.119 C=CCOC(=O)CCCNCC(C)O 2ae22c11ff468528936859b2e85855c8 [0,2,0,0,0,0|0,0,0]=2 3783 B13R0.119 C=CCOC(=O)CCCNCC(F)F 5e62eed687b5885acc0f29a48dbf4abc [0,2,0,0,0,0|1,0,0]=3 3784 B13R0.119 C=CCOC(=O)CCCNC[C@@H](C)O 091b2329e8c035f6f6e55690cee97cb0 [0,2,0,0,0,0|0,0,0]=2 3785 B13R0.119 C=CCOC(=O)CCCNC[C@H](C)O 34dfafe548f074600e64fbd887e5d08c [0,2,0,0,0,0|0,0,0]=2 3786 B13R0.119 C=CCOC(=O)CCCOCC(=C)Br fcfb860a8c5c94b097c7a31ccb450e1d [0,2,0,0,0,0|0,0,2]=4 3787 B13R0.119 C=CCOC(=O)CCCOCC(=C)C bb7b197bacf7d977f367217ada1505c1 [0,2,0,0,0,0|0,0,1]=3 3788 B13R0.119 C=CCOC(=O)CCCOCC(=C)Cl 75398c01b419f407bad500b5078fbcf1 [0,2,0,0,0,0|0,0,2]=4 3789 B13R0.119 C=CCOC(=O)CCCOCC(=C)F 22404b8602290e18cb8ae218b490b233 [0,2,0,0,0,0|0,0,2]=4 3790 B13R0.119 C=CCOC(=O)CCCOCC(=C)I da4c5a8fe13588751de82120f620923a [0,2,0,0,0,0|0,0,2]=4 3791 B13R0.119 C=CCOC(=O)CCCOCC(=O)C a0f33cc97b91a218e4fc7ea0442ad02e [0,2,0,0,0,0|0,0,1]=3 3792 B13R0.119 C=CCOC(=O)CCCOCC(=O)N 2f2f4825557fd1c1b6a858cf302b1151 [0,2,0,0,0,0|1,0,1]=4 3793 B13R0.119 C=CCOC(=O)CCCOCC(=O)O 9aac5006d27d2ae321f442e5cd8653a1 [0,2,0,0,0,0|1,0,1]=4 3794 B13R0.119 C=CCOC(=O)CCCOCC(=S)N f1a5683badf0480a62fe7311bc017d1c [0,2,0,0,0,0|1,0,1]=4 3795 B13R0.119 C=CCOC(=O)CCCOCC(C)C 1efe5a0685eb938fc35b618d78d1a8d8 [0,2,0,0,0,0|0,0,0]=2 3796 B13R0.119 C=CCOC(=O)CCCOCC(C)F aba3ad233233d56fa28789a8df034019 [0,2,0,0,0,0|0,0,0]=2 3797 B13R0.119 C=CCOC(=O)CCCOCC(C)S 0b1d95f98a37609b92ae110f8b6bcfe0 [0,2,0,0,0,0|0,0,0]=2 3798 B13R0.119 C=CCOC(=O)CCCOCC(F)F 5fe4c22a3d0a29c24916aeac0443d21e [0,2,0,0,0,0|1,0,0]=3 3799 B13R0.119 C=CCOC(=O)CCCOCS(=O)O 0890fd864ca9670c1e18a602a05f8efd [0,2,0,0,0,0|2,0,0]=4 3800 B13R0.119 C=CCOC(=O)CCCOC[C@@H](C)F 2e152102402d158877144b60b0984bed [0,2,0,0,0,0|0,0,0]=2 3801 B13R0.119 C=CCOC(=O)CCCOC[C@H](C)F b8274fd8e107c1a74a503162d142c54e [0,2,0,0,0,0|0,0,0]=2 3802 B13R0.119 C=CCOC(=O)CNCCCC(=O)N 4edfc166b7b6ee8aaa8fb4ad9de90804 [0,2,0,0,0,0|1,0,1]=4 3803 B13R0.119 C=CCOC(=O)CNCCCC(=O)O a4a72c9749164bfb026a65dc0bc2e905 [0,2,0,0,0,0|1,0,1]=4 3804 B13R0.119 C=CCOC(=O)CNCCCC(C)C 4e8f2b9f43cd732485f0492b8ad98eb4 [0,2,0,0,0,0|0,0,0]=2 3805 B13R0.119 C=CCOC(=O)CNCCCN(C)C 51653f15c1f9ecf814cece51f92b61fa [0,2,0,0,0,0|1,0,0]=3 3806 B13R0.119 C=CCOC(=O)CNCCCS(=O)C ff659ce4da8a7b3236265afa4d8d1c26 [0,2,0,0,0,0|1,0,0]=3 3807 B13R0.119 C=CCOC(=O)CNCCNC(=O)C 1627a9e5eb173101aedeeba4feb1e984 [0,2,0,0,0,0|1,0,1]=4 3808 B13R0.119 C=CCOC(=O)CNCCOC(C)C fe3887e60ca18be21809b0e2164c26ed [0,2,0,0,0,0|1,0,0]=3 3809 B13R0.119 C=CCOC(=O)CNCCOC(F)F d6ad6bce69da499d050b2799a72aa5c4 [0,2,0,0,0,0|2,0,0]=4 3810 B13R0.119 C=CCOC(=O)COCCCC(=C)C 1de5acef3c299346af685862de9d24f0 [0,2,0,0,0,0|0,0,1]=3 3811 B13R0.119 C=CCOC(=O)COCCCC(=O)C a99cddd89c94b8ecc3097629b72d841a [0,2,0,0,0,0|0,0,1]=3 3812 B13R0.119 C=CCOC(=O)COCCCC(=O)N a11bfec8e176a6e04ea428755a7e6a66 [0,2,0,0,0,0|1,0,1]=4 3813 B13R0.119 C=CCOC(=O)COCCCC(C)C 505423c79ce2c73cadbbffb43f065591 [0,2,0,0,0,0|0,0,0]=2 3814 B13R0.119 C=CCOC(=O)COCCCN(C)C 81786923ac7ed5f8508b85eed24f7443 [0,2,0,0,0,0|1,0,0]=3 3815 B13R0.119 C=CCOC(=O)COCCC[N+](=O)[O-] 79c014698ca8721eb8c97f5387da5704 [0,2,0,0,0,0|2,0,0]=4 3816 B13R0.119 C=CCOC(=O)COCCNC(=O)C 98d356b3dc83b7dddec2366eb2efe963 [0,2,0,0,0,0|1,0,1]=4 3817 B13R0.119 C=CCOC(=O)COCCOC(=O)C 5ccd332a79a1b6b613bbea423d853cd5 [0,2,0,0,0,0|1,0,1]=4 3818 B13R0.119 C=CCOC(=O)COCCOC(C)C d7308a07d026008370c2a7a41496fc0e [0,2,0,0,0,0|1,0,0]=3 3819 B13R0.119 C=CCOC(=O)COCCOC(F)F a7d8ee83302e50e6e42b0ad2e9360856 [0,2,0,0,0,0|2,0,0]=4 3820 B13R0.119 C=CCOC(=O)COCCSC(C)C 35c7db7c1a6dc29ab83c595517a929c5 [0,2,0,0,0,0|1,0,0]=3 3821 B13R0.119 CCCOC(=O)CCOCCC(C)C b1371855413cb3a4411751bbe19f9d1e [0,2,0,0,0,0|0,0,2]=4 3822 B13R0.119 CCCOC(=O)CNCCCC(C)C 888c132829f70e53e09b23f22d32b9f3 [0,2,0,0,0,0|0,0,2]=4 3823 B13R0.119 CCCOC(=O)COCCCC(C)C a14a80ef1eb71d5a1e452b7008cb8331 [0,2,0,0,0,0|0,0,2]=4 3824 B13R0.154 C#CCCCCCC(=O)NCC(=C)Br 98c1dc75cf5553879c162d3cd456b444 [0,2,0,0,0,0|1,0,1]=4 3825 B13R0.154 C#CCCCCCC(=O)NCC(=C)C cf814448b20bd0bb36f03711c84b6bcf [0,2,0,0,0,0|1,0,1]=4 3826 B13R0.154 C=C(Br)CNC(=O)/C=C/CCCCC 3baadb67dee6b2fa580d19e39b313a1a [0,2,0,0,0,0|1,0,1]=4 3827 B13R0.154 C=C(Br)CNC(=O)C#CCCCCC 0dd5a60f19b048beedfc59fbcba2de17 [0,2,0,0,0,0|1,0,1]=4 3828 B13R0.154 C=C(Br)CNC(=O)C/C=C/CCCC 8c95537655c976527dedb46a0a3ed20b [0,2,0,0,0,0|1,0,1]=4 3829 B13R0.154 C=C(Br)CNC(=O)CC#CCCCC 9842a57acefb85f0b097c506ffb7c292 [0,2,0,0,0,0|1,0,1]=4 3830 B13R0.154 C=C(Br)CNC(=O)CC/C=C/CCC f08f1e280309757ddf8f8a29b65d398c [0,2,0,0,0,0|1,0,1]=4 3831 B13R0.154 C=C(Br)CNC(=O)CC/C=C\CCC 1b7357c688b0cabba0fe4a71590c081b [0,2,0,0,0,0|1,0,1]=4 3832 B13R0.154 C=C(Br)CNC(=O)CCCCCC=O 5347c5c15d8dc41bc21a624395fbcce7 [0,2,0,0,0,0|1,0,1]=4 3833 B13R0.154 C=C(Br)CNC(=O)CCCCCCC a70e7bf0f677bb9f61426f601b06f8b3 [0,2,0,0,0,0|1,0,0]=3 3834 B13R0.154 C=C(Br)CNC(=O)CCCCCCF 2bf2ab63522bec3fe6c26e2a526724eb [0,2,0,0,0,0|1,0,0]=3 3835 B13R0.154 C=C(Br)CNC(=O)CCCCCCO ecefaf6af20d170341116adf4f4a9674 [0,2,0,0,0,0|1,0,0]=3 3836 B13R0.154 C=C(Br)CNC(=O)CCCCCCS 1aae966653cdce32c66bc99a0ce0db6d [0,2,0,0,0,0|1,0,0]=3 3837 B13R0.154 C=C(Br)CNC(=O)CCCCCOC 7c762e7a95278eb7949fa4f169974d6c [0,2,0,0,0,0|1,0,0]=3 3838 B13R0.154 C=C(Br)CNC(=O)CCCCOCC 5d00070b87e0bbdf6b21ff45fee1c8ff [0,2,0,0,0,0|1,0,0]=3 3839 B13R0.154 C=C(Br)CNC(=O)CCOCCCC 4dfee1414092351d42ee183eaaa6febb [0,2,0,0,0,0|1,0,0]=3 3840 B13R0.154 C=C(Br)CNC(=O)CCOCCOC cf76b85b75ef134e5c21571973a8f098 [0,2,0,0,0,0|2,0,0]=4 3841 B13R0.154 C=C(Br)CNC(=O)NCCCCCC 92a9d84a8a295504997995c5a25a91b9 [0,2,0,0,0,0|1,0,0]=3 3842 B13R0.154 C=C(Br)CNC(=O)NCCCCCN f51fce1394c644f5056f4d540d66ebde [0,2,0,0,0,0|2,0,0]=4 3843 B13R0.154 C=C(Br)CNC(=O)NCCCCCO f853b0e14a6edd80cd2b452dab33345b [0,2,0,0,0,0|2,0,0]=4 3844 B13R0.154 C=C(Br)CNC(=O)NCCCCOC 2dd5a3e8aec859288783e22fdbd65a2b [0,2,0,0,0,0|2,0,0]=4 3845 B13R0.154 C=C(Br)CNC(=O)NCCCCSC e14cb4c70b1caf66a99756338102886d [0,2,0,0,0,0|2,0,0]=4 3846 B13R0.154 C=C(Br)CNC(=O)NCCCOCC 09921b9c96aec010a090c432ee437d63 [0,2,0,0,0,0|2,0,0]=4 3847 B13R0.154 C=C(Br)CNC(=O)NCCOCCC 0371eed137af74946df814c7d3aa1995 [0,2,0,0,0,0|2,0,0]=4 3848 B13R0.154 C=C(Br)CNC(=S)NCCCCCC d9eff9d54a66713e9699d8fa4705fbff [0,2,0,0,0,0|1,1,0]=4 3849 B13R0.154 C=C(Br)COC(C)CCCCCCC 27c59d3b5b7cc776a274ab350c9fd323 [0,2,0,0,0,0|1,0,1]=4 3850 B13R0.154 C=C(C)CCC(=O)NCCCCCC cef3c7d65ce7df43a0de75eba8e05f3c [0,2,0,0,0,0|1,0,0]=3 3851 B13R0.154 C=C(C)CCC(=O)NCCCCCCl 885ec709d59faae986776a8333f7f9b1 [0,2,0,0,0,0|2,0,0]=4 3852 B13R0.154 C=C(C)CCC(=O)NCCCCCO d8117af2b2f59ec124f7b4a9f9d84477 [0,2,0,0,0,0|2,0,0]=4 3853 B13R0.154 C=C(C)CCC(=O)NCCCCOC 29deaa1ca2841f0da3d44405ef52936c [0,2,0,0,0,0|2,0,0]=4 3854 B13R0.154 C=C(C)CCC(=O)NCCCCSC b0e14229ab3bbb24939cfdbcb7d9fe79 [0,2,0,0,0,0|2,0,0]=4 3855 B13R0.154 C=C(C)CCC(=O)NCCCOCC 616433b05dbbe31ce919b51173e3365b [0,2,0,0,0,0|2,0,0]=4 3856 B13R0.154 C=C(C)CCC(=O)NCCOCCC a2583a5e98846626355860f018919a43 [0,2,0,0,0,0|2,0,0]=4 3857 B13R0.154 C=C(C)CNC(=O)/C=C/CCCCC 45d62fd8628958bbe705514664541158 [0,2,0,0,0,0|1,0,1]=4 3858 B13R0.154 C=C(C)CNC(=O)C#CCCCCC 32a909ac01a0031cc2fb1aef1b7b0e41 [0,2,0,0,0,0|1,0,1]=4 3859 B13R0.154 C=C(C)CNC(=O)C/C=C/CCCC f0222beab7cb14d13979a853a5705152 [0,2,0,0,0,0|1,0,1]=4 3860 B13R0.154 C=C(C)CNC(=O)CC#CCCCC 7bc91b2f0fe18c81e2a1bf1bdad80bf1 [0,2,0,0,0,0|1,0,1]=4 3861 B13R0.154 C=C(C)CNC(=O)CC/C=C/CCC 2dec0e87367606ef2233774d36e4d262 [0,2,0,0,0,0|1,0,1]=4 3862 B13R0.154 C=C(C)CNC(=O)CC/C=C\CCC 30200484a5d2ee70b93bff193aabe01a [0,2,0,0,0,0|1,0,1]=4 3863 B13R0.154 C=C(C)CNC(=O)CCCCCC=O c0baf85a32ff7f97b0e5c9b3791e390a [0,2,0,0,0,0|1,0,1]=4 3864 B13R0.154 C=C(C)CNC(=O)CCCCCCC 9231003a33a4127d76c02613627cefb3 [0,2,0,0,0,0|1,0,0]=3 3865 B13R0.154 C=C(C)CNC(=O)CCCCCCF 4baf3ff05afc11d0c91b4bf318e0455c [0,2,0,0,0,0|1,0,0]=3 3866 B13R0.154 C=C(C)CNC(=O)CCCCCCO f76b405317e4597cb4e9b87be5c4945d [0,2,0,0,0,0|1,0,0]=3 3867 B13R0.154 C=C(C)CNC(=O)CCCCCCS b108d56289a3e40b70a816eb04b3a753 [0,2,0,0,0,0|1,0,0]=3 3868 B13R0.154 C=C(C)CNC(=O)CCCCCOC 83c7c0f5607da4ab1b4295e15e8bec72 [0,2,0,0,0,0|1,0,0]=3 3869 B13R0.154 C=C(C)CNC(=O)CCCCOCC 981708cfb9b76f1aad85c46d4dd7c815 [0,2,0,0,0,0|1,0,0]=3 3870 B13R0.154 C=C(C)CNC(=O)CCOCCCC 55216b64d3a93ef0818820c01d9f7ee3 [0,2,0,0,0,0|1,0,0]=3 3871 B13R0.154 C=C(C)CNC(=O)CCOCCOC 93c5fa5e3295204b69cf384bd8d8d459 [0,2,0,0,0,0|2,0,0]=4 3872 B13R0.154 C=C(C)CNC(=O)NCCCCCC d90df40dda10edcff5c8593b43695480 [0,2,0,0,0,0|1,0,0]=3 3873 B13R0.154 C=C(C)CNC(=O)NCCCCCN 1eee445d989685cc81206f1e20c86c53 [0,2,0,0,0,0|2,0,0]=4 3874 B13R0.154 C=C(C)CNC(=O)NCCCCCO e75ad9442d8e08bde5303aaafa4b9afc [0,2,0,0,0,0|2,0,0]=4 3875 B13R0.154 C=C(C)CNC(=O)NCCCCOC 58da904bd9a4dff30f72176c6f98c2e3 [0,2,0,0,0,0|2,0,0]=4 3876 B13R0.154 C=C(C)CNC(=O)NCCCCSC 3bb51cad68b77d9f04bf30c8d492bb3b [0,2,0,0,0,0|2,0,0]=4 3877 B13R0.154 C=C(C)CNC(=O)NCCCOCC 68ddb931cc14f8e0c18eefbf9ce9248e [0,2,0,0,0,0|2,0,0]=4 3878 B13R0.154 C=C(C)CNC(=O)NCCOCCC 342f3a5b46aa03e6d99839b33af8032a [0,2,0,0,0,0|2,0,0]=4 3879 B13R0.154 C=C(C)CNC(=S)NCCCCCC 701b39ee4f2bdcfc04d00bbf87641292 [0,2,0,0,0,0|1,1,0]=4 3880 B13R0.154 C=C(C)COC(C)CCCCCCC 9052ab673f6f75bb8d98c1e1e2e0f6ba [0,2,0,0,0,0|1,0,1]=4 3881 B13R0.154 C=C(Cl)COC(C)CCCCCCC c35a003af0f5e10c5e95d665ee908754 [0,2,0,0,0,0|1,0,1]=4 3882 B13R0.154 C=CCCCCCC(=O)NCC(=C)Br 19c9642f13c2346d0bec7e9c2a95d208 [0,2,0,0,0,0|1,0,1]=4 3883 B13R0.154 C=CCCCCCC(=O)NCC(=C)C ceeaefc918748dab280ab26a5b0891c2 [0,2,0,0,0,0|1,0,1]=4 3884 B13R0.154 CC(=O)CNC(=O)CCCCCCF c1fb71deecc2115c2bee478da8e5c6cf [0,2,0,0,0,0|1,0,1]=4 3885 B13R0.154 CC(=O)CNC(=O)CCCCCCO 724687c71ce082a34160fd9cfd6b52d3 [0,2,0,0,0,0|1,0,1]=4 3886 B13R0.154 CC(=O)CNC(=O)CCCCCCS db5407ba0de459cb3f26b7b2e4b2e05b [0,2,0,0,0,0|1,0,1]=4 3887 B13R0.154 CCCCCCCC(=O)NCC(=O)C e58b2437054550a8af6e78455f3cf9ee [0,2,0,0,0,0|1,0,1]=4 3888 B13R0.154 CCCCCCCC(=O)NCC(=O)N cc9ed170351040344cc9afa38febbd0c [0,2,0,0,0,0|2,0,0]=4 3889 B13R0.154 CCCCCCNC(=O)CCC(=O)C 440be52a6dab11c6abe78a13c927a55e [0,2,0,0,0,0|1,0,1]=4 3890 B13R0.154 CCCCCCNC(=O)CCC(=O)N 2960dd375f66237ffd3a19dcc728703b [0,2,0,0,0,0|2,0,0]=4 3891 B13R0.154 CCCCCCNC(=O)NCC(=O)C 7828a7c3b98e686bc396d54856117013 [0,2,0,0,0,0|1,0,1]=4 3892 B13R0.154 CCCCCCNC(=O)NCC(=O)N 3d1df2a80c0e31a39c7c31c0b30b5e95 [0,2,0,0,0,0|2,0,0]=4 3893 B13R0.154 CCCCCCNC(=O)NCC(=O)O 35cbd9c802d1428225266ea3db081a1c [0,2,0,0,0,0|2,0,0]=4 3894 B13R0.154 CCCCCNCC(=O)CCC(=O)O 31e32612b0f955e18b2618db399b9d37 [0,2,0,0,0,0|2,0,0]=4 3895 B13R0.154 CCCCCNCC(=O)NCC(=O)C fd2227edaf8f97658d1de69fa82d7adc [0,2,0,0,0,0|1,0,1]=4 3896 B13R0.154 CCCCCNCC(=O)NCC(=O)O a64cbacc9a8d1e8ef2017127ede8641f [0,2,0,0,0,0|2,0,0]=4 3897 B13R0.154 CCCCCOCC(=O)CCC(=O)O c1d2a067f132343d515894c516fb30ff [0,2,0,0,0,0|2,0,0]=4 3898 B13R0.154 CCCCCOCC(=O)NCC(=O)C 796b8f32fd9ce76ab61c888ffd261e04 [0,2,0,0,0,0|1,0,1]=4 3899 B13R0.154 CCCCCOCC(=O)NCC(=O)O 48b5eaff7c5bf1ae9e4eeeb60b9e5a94 [0,2,0,0,0,0|2,0,0]=4 3900 B13R0.154 CCCCOCCC(=O)NCC(=O)C ec27a64e20d134ca9fe73b5c680f8b27 [0,2,0,0,0,0|1,0,1]=4 3901 B13R0.154 CCCCOCCC(=O)NCC(=O)N 731044f7fadd6c373f4d28b7ff50dd66 [0,2,0,0,0,0|2,0,0]=4 3902 B13R0.154 CCOCCCCC(=O)NCC(=O)C 270251b6cd00ac15167073771e162aa6 [0,2,0,0,0,0|1,0,1]=4 3903 B13R0.154 CCOCCCCC(=O)NCC(=O)N 4c3a67bc5a53d5666ba5adc72129c841 [0,2,0,0,0,0|2,0,0]=4 3904 B13R0.154 COCCCCCC(=O)NCC(=O)C 2916865afe1f762919b51ae26b633c6f [0,2,0,0,0,0|1,0,1]=4 3905 B13R0.154 COCCCCCC(=O)NCC(=O)N 31e5bcff52edd594cb64220f2cb75d9a [0,2,0,0,0,0|2,0,0]=4 3906 B13R0.154 NC(=O)CNC(=O)CCCCCCF aadb3b3dc4cf3670911cc0bbd8979bc4 [0,2,0,0,0,0|2,0,0]=4 3907 B13R0.154 NC(=O)CNC(=O)CCCCCCO 220e9c5c19ba5d6ef9b6d6240597a7b8 [0,2,0,0,0,0|2,0,0]=4 3908 B13R0.154 NC(=O)CNC(=O)CCCCCCS 7c1d9c05b9b6b860284188df21b8557b [0,2,0,0,0,0|2,0,0]=4 3909 B13R0.689 C=CCOC(C)(C)COCCCCC 14c2f7d63561d4cd69eb22f5be803ed2 [0,2,0,0,0,0|1,0,1]=4 3910 B13R0.139 C=C(Br)CNC(=O)C(=O)CCCCC e4f4cf318d83b76275c4b49e5c99027d [0,2,0,0,0,0|1,0,1]=4 3911 B13R0.139 C=C(Br)CNC(=O)C(C)SCCCC b92e381ac7f3787b18f050d7060e37c4 [0,2,0,0,0,0|2,0,0]=4 3912 B13R0.139 C=C(Br)CNC(=O)C(O)CCCCC 362a0825397e78e8e90a5aaee831e41d [0,2,0,0,0,0|1,0,0]=3 3913 B13R0.139 C=C(Br)CNC(=O)N(C)CCCCC e29db5518dc8f3b04f63d93d6be5d45b [0,2,0,0,0,0|2,0,0]=4 3914 B13R0.139 C=C(C)CCC(=O)N(C)CCCCC 6544e269bfbb06ff334a6a3f160083ea [0,2,0,0,0,0|2,0,0]=4 3915 B13R0.139 C=C(C)CNC(=O)C(=O)CCCCC 3fd12209410c7a180f4983f2456de2a4 [0,2,0,0,0,0|1,0,1]=4 3916 B13R0.139 C=C(C)CNC(=O)C(C)SCCCC 58df3b689962a7def07618cfd7279ecd [0,2,0,0,0,0|2,0,0]=4 3917 B13R0.139 C=C(C)CNC(=O)C(O)CCCCC cb8e6a2144d22b60f7bf8a0301e7c723 [0,2,0,0,0,0|1,0,0]=3 3918 B13R0.139 C=C(C)CNC(=O)N(C)CCCCC 4c631e375b6aa242670564e37dabfb85 [0,2,0,0,0,0|2,0,0]=4 3919 B13R0.139 CCCCCC(O)C(=O)NCC(=O)C 4587220c7459b96f4c125ab9a3c0a926 [0,2,0,0,0,0|1,0,1]=4 3920 B13R0.139 CCCCCC(O)C(=O)NCC(=O)N 76edd904656f615c97fe863251ee194c [0,2,0,0,0,0|2,0,0]=4 3921 B11R1.4 CCCCCCN1CC=CC1 4abbe8d658e90e6dbfe87f122641718f [1,0,0,1,0,0|2,0,0]=4 3922 B11R1.4 CCCCCNc1ccco1 f970cd05169f1dc22a2fc0868aa59ecb [1,0,0,1,0,0|2,0,0]=4 3923 B11R1.4 CCCCCNc1ncco1 2d0badb0f958a9679e2da64f0b39a666 [1,0,0,1,0,0|2,0,0]=4 3924 B11R1.4 CCCCCOc1ccco1 765a6b19c6da88e1e0ac7cbcc3169645 [1,0,0,1,0,0|2,0,0]=4 3925 B11R1.4 CCCCNCc1ccco1 c9dd13c1879595fe1a868b7933bb7fce [1,0,0,1,0,0|2,0,0]=4 3926 B11R1.4 CCCCNCc1ncco1 ff6e7c3b8aecd5b953ff555e22db7e3a [1,0,0,1,0,0|2,0,0]=4 3927 B11R1.4 CCCCOCc1ccco1 b9903212f19458d57de7d6a4cad87304 [1,0,0,1,0,0|2,0,0]=4 3928 B11R1.4 CCCCOCc1ncco1 b2e4254a3f75d1046eb12f6b76cb00ad [1,0,0,1,0,0|2,0,0]=4 3929 B11R1.4 CCCNCCc1ccco1 6b925e785b195733bc9096e5bb1e098f [1,0,0,1,0,0|2,0,0]=4 3930 B11R1.4 CCCOCCc1ccco1 7e3a9046d4399a2533dc33c2e64d0238 [1,0,0,1,0,0|2,0,0]=4 3931 B11R1.4 CCNCCCc1ccco1 43406731f71a6d17b9e88a0e0d1fd4a9 [1,0,0,1,0,0|2,0,0]=4 3932 B11R1.4 CCOCCCc1ccco1 ff0106fb5384705690339b058590e0ea [1,0,0,1,0,0|2,0,0]=4 3933 B11R1.16 C=CCC(=O)N1CCCOC1 8a5c2f1dc5b68ffa58b3e1ffdfeffe34 [1,0,0,1,0,0|2,0,0]=4 3934 B11R1.16 C=CCC(=O)N1CCCSC1 f4d2fc6ca10f14a4b8c5461b66498f30 [1,0,0,1,0,0|2,0,0]=4 3935 B11R1.16 C=CCC(=O)N1CCOCC1 e7c8cd737820cc89f7997dacfab8258a [1,0,0,1,0,0|2,0,0]=4 3936 B11R1.16 C=CCC(=O)N1CCSCC1 678a679d30bef751880a3c22c75e3675 [1,0,0,1,0,0|2,0,0]=4 3937 B11R1.16 C=CCN(C)C1CCCCC1 bb4edfc500f944468a5d19c901ffb288 [1,0,0,1,0,0|2,0,0]=4 3938 B11R1.24 CCCCN1CCOC(=O)C1 3f4af70ed351ba7dae5c4daa38dbbec5 [1,0,0,1,0,0|1,0,1]=4 3939 B11R1.30 C=CCC(=O)NC1CCCC1 42645ef797d712fcb7a77e0b7665713f [1,0,0,1,0,0|1,0,0]=3 3940 B11R1.30 C=CCC(=O)NC1CCOC1 bdb5eb5df06aee758c7816bdcdae64f5 [1,0,0,1,0,0|2,0,0]=4 3941 B11R1.30 C=CCC(=O)NC1CCSC1 309f2f2e24c54ec645c3c81ea57ed52e [1,0,0,1,0,0|2,0,0]=4 3942 B11R1.30 C=CCC(=O)N[C@@H]1CCOC1 f319635e89b61be1312b487c770281ae [1,0,0,1,0,0|2,0,0]=4 3943 B11R1.30 C=CCC(=O)N[C@H]1CCOC1 8311215b799240112378ed5eddd77dc5 [1,0,0,1,0,0|2,0,0]=4 3944 B11R1.30 C=CCN(C)CC1CCCC1 93140f1bbe6d4e3c18e27a498f820cc0 [1,0,0,1,0,0|2,0,0]=4 3945 B11R1.30 C=COC(=O)CN1CCSC1 31fba85146e65483e853d32ea6c60580 [1,0,0,1,0,0|2,0,0]=4 3946 B11R1.30 O=CCC(=O)NC1CCCC1 eea62c1700369ae64f215664a4f074cd [1,0,0,1,0,0|2,0,0]=4 3947 B11R1.117 C=CCN1CCCCCCC1 b8c721bc6d7189437389e8e008b757df [1,0,0,1,0,0|2,0,0]=4 3948 B11R1.127 C=CCN1CCC(C1)CCC 15eb587157305c202f8294e96c7c65bc [1,0,0,1,0,0|2,0,0]=4 3949 B11R1.180 CCCCN[C@@H]1CCOC1=O ed0730bf918a90319664293109727836 [1,0,0,1,0,0|1,0,1]=4 3950 B11R1.180 CCCCN[C@H]1CCOC1=O bc1ff4fc4b1cbd2b8e734ea1a24a3145 [1,0,0,1,0,0|1,0,1]=4 3951 B11R1.180 CCCCOC1CCOC1=O 6b1a411a75446402594aca66d981812a [1,0,0,1,0,0|1,0,1]=4 3952 B11R1.180 CCCCO[C@@H]1CCOC1=O 7f089f9be002c56d4ed21d2753984a9f [1,0,0,1,0,0|1,0,1]=4 3953 B11R1.180 CCCCO[C@H]1CCOC1=O 3b100f447983d8c65cd8accc2947ac67 [1,0,0,1,0,0|1,0,1]=4 3954 B11R1.189 C=CCN1CCCC(C1)CC 2f9224dcf226f34a73033aa0c461d7dd [1,0,0,1,0,0|2,0,0]=4 3955 B11R1.199 C=CCC(=O)N1CCCC1C 0fcea78129c65598fb02bbc164277128 [1,0,0,1,0,0|1,0,0]=3 3956 B11R1.199 C=CCC(=O)N1CCCC1O 0e1eb0eac86e6913b22d289c3bf100c8 [1,0,0,1,0,0|2,0,0]=4 3957 B11R1.199 C=CCC(=O)N1CCC[C@@H]1C ac204baaf5043d2fadc14026e8d7ebb4 [1,0,0,1,0,0|1,0,0]=3 3958 B11R1.199 C=CCC(=O)N1CCC[C@H]1C c9a87c0b5a927b03e271f3d702d90cbe [1,0,0,1,0,0|1,0,0]=3 3959 B11R1.199 C=CCC(=O)N1CCSC1C 092ebecc39fbdf0151d27316c281bb83 [1,0,0,1,0,0|2,0,0]=4 3960 B11R1.199 CC1CCCN1C(=O)CC=O 6a3d14d353699c58bc59c2dd9a44fadc [1,0,0,1,0,0|2,0,0]=4 3961 B11R1.199 C[C@@H]1CCCN1C(=O)CC=O 4498a1c6568244052e557270abfc560c [1,0,0,1,0,0|2,0,0]=4 3962 B11R1.199 C[C@H]1CCCN1C(=O)CC=O 1defce563141885e52440a8316c6305b [1,0,0,1,0,0|2,0,0]=4 3963 B11R1.200 C=CCC(=O)N1CCC1CC faab46df49d38106ba2a76cd0971605f [1,0,0,1,0,0|1,0,0]=3 3964 B11R1.200 C=CCC(=O)N1CCC1CO 7aa193b4fbc4b4f6a645010fe50bbbc1 [1,0,0,1,0,0|2,0,0]=4 3965 B11R1.200 C=CCC(=O)N1CC[C@@H]1CO 416b340d783bcbfca71401aa908fc603 [1,0,0,1,0,0|2,0,0]=4 3966 B11R1.200 C=CCC(=O)N1CC[C@H]1CO a70d0641646a37f2815bd07acf0c4072 [1,0,0,1,0,0|2,0,0]=4 3967 B11R1.200 CCC1CCN1C(=O)CC=O 219faa53dd8a9daf5772dbbb59ddb097 [1,0,0,1,0,0|2,0,0]=4 3968 B11R1.202 C=CCC(=O)N[C@@H]1C[C@@H]1OC 6896f71455a25e9fdff55f27139f030c [1,0,0,1,0,0|2,0,0]=4 3969 B11R1.202 C=CCC(=O)N[C@@H]1C[C@H]1CO 84dd37468e53b0f424abd2b29b018dfb [1,0,0,1,0,0|2,0,0]=4 3970 B11R1.202 C=CCC(=O)N[C@H]1C[C@@H]1CO fdcd031c26f275fc7c74577057603389 [1,0,0,1,0,0|2,0,0]=4 3971 B11R1.202 C=CCC(=O)N[C@H]1C[C@H]1CO 08714bccae87dca446afd6f74ddcea5c [1,0,0,1,0,0|2,0,0]=4 3972 B11R1.288 C=COC(=O)CNC1CC1C 6e7b40298dbba7d6d2ba2752e2ead2ba [1,0,0,1,0,0|1,0,0]=3 3973 B11R1.288 C=COC(=O)CN[C@@H]1C[C@H]1F 0b7c2003ab49bde3b33723f7ce51e768 [1,0,0,1,0,0|2,0,0]=4 3974 B11R1.288 C=COC(=O)CN[C@H]1C[C@@H]1F 6341d7185f3de564f573c6f4e3e47354 [1,0,0,1,0,0|2,0,0]=4 3975 B11R1.288 C=COC(=O)CN[C@H]1C[C@H]1F f5df1a51bc1b5e60b951496ca282eced [1,0,0,1,0,0|2,0,0]=4 3976 B11R1.288 CCOC(=O)CNC1CC1C 22d926c339c99ce24ba81845aa6f8d65 [1,0,0,1,0,0|1,0,1]=4 3977 B11R1.289 C=CCC(=O)NCC1CCC1 f7a53eaa0d3c8b680094677cd35680b9 [1,0,0,1,0,0|1,0,0]=3 3978 B11R1.289 C=CCC(=O)NCC1CCO1 47670a317480df3260cdfa222170e82a [1,0,0,1,0,0|2,0,0]=4 3979 B11R1.289 C=CCC(=O)NCC1COC1 3891ac039b73869bb5d0ffc19bb60818 [1,0,0,1,0,0|2,0,0]=4 3980 B11R1.289 C=CCC(=O)NC[C@@H]1CCO1 742be8f45227086c09f6a2850cc6d694 [1,0,0,1,0,0|2,0,0]=4 3981 B11R1.289 C=CCC(=O)NC[C@H]1CCO1 d87af39ea1af6bec227a0c099de07a54 [1,0,0,1,0,0|2,0,0]=4 3982 B11R1.289 C=CCN(C)CCC1CCC1 4defb2834ca74318c354a209a93fc397 [1,0,0,1,0,0|2,0,0]=4 3983 B11R1.289 C=COC(=O)CNC1CCC1 245abac4d62b8e13f7108ef3cc87c364 [1,0,0,1,0,0|1,0,0]=3 3984 B11R1.289 C=COC(=O)CNC1COC1 6a37c0c7ac828b087eacc028ac584835 [1,0,0,1,0,0|2,0,0]=4 3985 B11R1.289 C=COC(=O)COC1CCC1 ad80df6f9ddc9bad51f09b01eadf475e [1,0,0,1,0,0|1,0,0]=3 3986 B11R1.289 C=COC(=O)COC1COC1 173200e21d5f419c008dd4047d5f985d [1,0,0,1,0,0|2,0,0]=4 3987 B11R1.289 C=COC(=O)COC1CSC1 5492dfc075dc208c9740cea9bc85d93d [1,0,0,1,0,0|2,0,0]=4 3988 B11R1.289 CCOC(=O)CNC1CCC1 1cd679d4045b00d64456d8178835dcbc [1,0,0,1,0,0|1,0,1]=4 3989 B11R1.289 CCOC(=O)COC1CCC1 d0887e2272bbe8eb1c33dd0cab0a9e49 [1,0,0,1,0,0|1,0,1]=4 3990 B11R1.289 O=CCC(=O)NCC1CCC1 47a2cd6f66ed8d19171e3fa53a2c2935 [1,0,0,1,0,0|2,0,0]=4 3991 B11R1.290 C=CCC(=O)NCCC1CC1 2ddb47d0acdc1dbfe456564b2558136e [1,0,0,1,0,0|1,0,0]=3 3992 B11R1.290 C=CCC(=O)NCCN1CC1 32ccf067d0e0140c1fa0ed70c54d2f51 [1,0,0,1,0,0|2,0,0]=4 3993 B11R1.290 C=COC(=O)CNCC1CC1 aa0e1554c9315c5e39437a1051f60a66 [1,0,0,1,0,0|1,0,0]=3 3994 B11R1.290 C=COC(=O)COCC1CC1 f117c266a2fb1d4253809a914e8dfaf6 [1,0,0,1,0,0|1,0,0]=3 3995 B11R1.290 CCOC(=O)CCNC1CC1 7ae5e275187e0c18246e66f2bc7a753a [1,0,0,1,0,0|1,0,1]=4 3996 B11R1.290 CCOC(=O)CCOC1CC1 af8bebc034c959f0e8580db2fdba9e76 [1,0,0,1,0,0|1,0,1]=4 3997 B11R1.290 CCOC(=O)CNCC1CC1 79d5db5ae52ac1e153ab3beb3e8f393d [1,0,0,1,0,0|1,0,1]=4 3998 B11R1.290 CCOC(=O)COCC1CC1 7982bcf3144c0e34c33add663bbf7f17 [1,0,0,1,0,0|1,0,1]=4 3999 B11R1.290 O=CCC(=O)NCCC1CC1 7e71c9aaad855582bc3442521f4ece77 [1,0,0,1,0,0|2,0,0]=4 4000 B11R1.291 C=CCC(=O)NC1CCC1F d9caf60beb809b8e66d957feaf88c898 [1,0,0,1,0,0|2,0,0]=4 4001 B11R1.291 C=CCC(=O)NC1CCC1O ccb5b002d8c974285fee68e60dd23d33 [1,0,0,1,0,0|2,0,0]=4 4002 B11R1.291 C=CCC(=O)NC1COC1C 3aeb2c9c65a13bc0645a49c34cbaace2 [1,0,0,1,0,0|2,0,0]=4 4003 B11R1.291 C=CCC(=O)N[C@@H]1CC[C@@H]1O 2958f9be923b8618e0306d3a1458e7e9 [1,0,0,1,0,0|2,0,0]=4 4004 B11R1.291 C=CCC(=O)N[C@@H]1CC[C@H]1C 9f1b021d118ec931260dd77ccac83e9e [1,0,0,1,0,0|1,0,0]=3 4005 B11R1.291 C=CCC(=O)N[C@@H]1CC[C@H]1O 529f04f7457f0d29dca224b935764b6b [1,0,0,1,0,0|2,0,0]=4 4006 B11R1.291 C=CCC(=O)N[C@H]1CC[C@@H]1O d95c988c80a2c8b0028eebe68adfd607 [1,0,0,1,0,0|2,0,0]=4 4007 B11R1.291 C=CCC(=O)N[C@H]1CC[C@H]1C 442709515e279ffe89cb3e36dc70ad15 [1,0,0,1,0,0|1,0,0]=3 4008 B11R1.291 C=CCC(=O)N[C@H]1CC[C@H]1O 3eefd301fd74f18265eef97ea2c0de3a [1,0,0,1,0,0|2,0,0]=4 4009 B11R1.291 C[C@@H]1CC[C@@H]1NC(=O)CC=O dae10382518c5bdf1bd819c16047baf1 [1,0,0,1,0,0|2,0,0]=4 4010 B11R1.291 C[C@@H]1CC[C@H]1NC(=O)CC=O 840a76429ffb77d6d8093fdfca724550 [1,0,0,1,0,0|2,0,0]=4 4011 B11R1.5 C=CCN1CCCCCC1C 45f243c18551229b5fa5743a685b1f07 [1,0,0,1,0,0|1,0,1]=4 4012 B11R1.17 C=CCCN1CCCCC1C 810e767470a1bc2de8fb8e7f7a2ca177 [1,0,0,1,0,0|2,0,0]=4 4013 B11R1.17 C=CCCN1CCCC[C@@H]1C 5fe3077b39f3b7210ca2c2eb3de899a4 [1,0,0,1,0,0|2,0,0]=4 4014 B11R1.17 C=CCCN1CCCC[C@H]1C e070f4d6729771ab98a4b7197c08f5bc [1,0,0,1,0,0|2,0,0]=4 4015 B11R1.17 C=CCNC1CCCCC1C 0f8e1cb32627df43b10feebc2d437183 [1,0,0,1,0,0|1,0,1]=4 4016 B11R1.17 C=CCN[C@@H]1CCCC[C@@H]1C 5a2a4402da25c0ab68bba3cde500961d [1,0,0,1,0,0|1,0,1]=4 4017 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1C 4a6db63969f1730e35d7ac55b1690c81 [1,0,0,1,0,0|1,0,1]=4 4018 B11R1.17 C=CCN[C@H]1CCCC[C@@H]1C 1c5801197116ba8d45b5c1241369d490 [1,0,0,1,0,0|1,0,1]=4 4019 B11R1.17 C=CCN[C@H]1CCCC[C@H]1C 01ef9d6efd289cbc744aeea855c543e1 [1,0,0,1,0,0|1,0,1]=4 4020 B11R1.17 C=CCOC1CCCCC1C 499585986b8d70f4b8d53e77c99298e1 [1,0,0,1,0,0|0,0,1]=3 4021 B11R1.17 C=CCOC1CCCCC1F e0ab31dd3c88aa1a52be31ac2b55ba03 [1,0,0,1,0,0|1,0,1]=4 4022 B11R1.17 C=CCOC1CCOCC1C c0ad1801fa89f6f1c1b2b88d0caa3ca1 [1,0,0,1,0,0|1,0,1]=4 4023 B11R1.17 C=CCO[C@@H]1CCCC[C@@H]1C 4264fb512d1b0adf711f3964d5f98030 [1,0,0,1,0,0|0,0,1]=3 4024 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1F 0b352b4ec41bd728a061c0f1a26337e6 [1,0,0,1,0,0|1,0,1]=4 4025 B11R1.17 C=CCO[C@H]1CCCC[C@@H]1C 66511d4755f17c1150b367e93f6ee423 [1,0,0,1,0,0|0,0,1]=3 4026 B11R1.17 C=CCO[C@H]1CCCC[C@H]1C 97b8607e579c0b86bed86d48c1d4973a [1,0,0,1,0,0|0,0,1]=3 4027 B11R1.17 CC1CCCCC1OCC=O 7bd3b929eded7b7b89c9febdee55a5c2 [1,0,0,1,0,0|1,0,1]=4 4028 B11R1.17 C[C@@H]1CCCC[C@@H]1OCC=O d1ac85bc7593435da4239136c56deef0 [1,0,0,1,0,0|1,0,1]=4 4029 B11R1.17 C[C@H]1CCCC[C@@H]1OCC=O 302cd3a8de23eda591da0b5f068e9827 [1,0,0,1,0,0|1,0,1]=4 4030 B11R1.17 C[C@H]1CCCC[C@H]1OCC=O 618550352360bab8ec27f338b1353a30 [1,0,0,1,0,0|1,0,1]=4 4031 B11R1.18 C=CCCN1CCCC1CC 8e662de26b3c936902230ddada86251b [1,0,0,1,0,0|2,0,0]=4 4032 B11R1.18 C=CCCN1CCC[C@H]1CC 36a33bc940ddf470ed8d44a41b412382 [1,0,0,1,0,0|2,0,0]=4 4033 B11R1.18 C=CCN[C@@H]1CCC[C@H]1CC 5ecefcd709f3966a1416917431009e50 [1,0,0,1,0,0|1,0,1]=4 4034 B11R1.28 C=CCCNC1CCCCC1 37033c5679cab1747de8325a668ed17d [1,0,0,1,0,0|2,0,0]=4 4035 B11R1.28 C=CCCOC1CCCCC1 d3010c4986fc7af7404f06ae7395c5c7 [1,0,0,1,0,0|2,0,0]=4 4036 B11R1.28 C=CCNCC1CCCCC1 a9f671ac3caf79c5700dd42ed181b6a3 [1,0,0,1,0,0|1,0,1]=4 4037 B11R1.28 C=CCOCC1CCCCC1 9848ef5b125783442bfb47c81d54c094 [1,0,0,1,0,0|0,0,1]=3 4038 B11R1.28 C=CCOCC1CCCCO1 88d040fd9e66bde0050106fed5f663cf [1,0,0,1,0,0|1,0,1]=4 4039 B11R1.28 C=CCOCC1CCCOC1 291655a7415d1ebb4978f77d5556fb18 [1,0,0,1,0,0|1,0,1]=4 4040 B11R1.28 C=CCOCC1CCOCC1 5c655c62affcb0edba933413d56a7736 [1,0,0,1,0,0|1,0,1]=4 4041 B11R1.28 C=CCOCC1CCSCC1 3b1646539f30571d4973742d1b0238f7 [1,0,0,1,0,0|1,0,1]=4 4042 B11R1.28 C=CCOC[C@@H]1CCCCO1 31cfe6cdcd22500441579b4c25f87a4f [1,0,0,1,0,0|1,0,1]=4 4043 B11R1.28 C=CCOC[C@@H]1CCCOC1 d4a84b0b674b962bd533891829e8f583 [1,0,0,1,0,0|1,0,1]=4 4044 B11R1.28 C=CCOC[C@H]1CCCCO1 04c85c8ac91cffa41a1d9470296e3b5a [1,0,0,1,0,0|1,0,1]=4 4045 B11R1.28 C=CCOC[C@H]1CCCOC1 eb4c6d11329795ac77affcbd3a68bfb1 [1,0,0,1,0,0|1,0,1]=4 4046 B11R1.28 O=CCOCC1CCCCC1 5a2f7280d1bce864ba80d6bc8e83ff36 [1,0,0,1,0,0|1,0,1]=4 4047 B11R1.41 C=CCN1CCCCC1CC 02c8c62d6915b7a1d06ee1745ca1fed9 [1,0,0,1,0,0|1,0,1]=4 4048 B11R1.41 C=CCN1CCCC[C@@H]1CC a5001501238411088cba9e2b614649de [1,0,0,1,0,0|1,0,1]=4 4049 B11R1.41 C=CCN1CCCC[C@H]1CC d7ed1e8e9692d344b7e07ff073dd73d9 [1,0,0,1,0,0|1,0,1]=4 4050 B11R1.46 C=CCOCCNC1CC1C f07156132e03b1e2c1347ae663691e06 [1,0,0,1,0,0|1,0,1]=4 4051 B11R1.47 C=CCCNCCC1CCC1 f48fe70bc23c638f8a76d338da0aa75c [1,0,0,1,0,0|2,0,0]=4 4052 B11R1.47 C=CCCOCCC1CCC1 8f6166327340bd828df24d180eb508e8 [1,0,0,1,0,0|2,0,0]=4 4053 B11R1.47 C=CCOCCCC1CCC1 ccc7ee2ccf2d42de5de7fde10fdbb8ce [1,0,0,1,0,0|0,0,1]=3 4054 B11R1.47 C=CCOCCCC1COC1 1ac459823bec1febafc9e3227ecda037 [1,0,0,1,0,0|1,0,1]=4 4055 B11R1.47 C=CCOCCCN1CCC1 792ff23720297902c504bbd74314e6ad [1,0,0,1,0,0|1,0,1]=4 4056 B11R1.47 C=CCOCCNC1CCC1 87667bd185e318a8e8483bdbd77104cb [1,0,0,1,0,0|1,0,1]=4 4057 B11R1.47 C=CCOCCOC1CCC1 c5c2447e2418a6d945a9e409fbb4b3a7 [1,0,0,1,0,0|1,0,1]=4 4058 B11R1.47 O=CCOCCCC1CCC1 89bf29590ca7e24e87e455b2a1b954b7 [1,0,0,1,0,0|1,0,1]=4 4059 B11R1.99 C=CCCOCCCC1CC1 2112eb7be1093c7c646dd708a882b66f [1,0,0,1,0,0|2,0,0]=4 4060 B11R1.99 C=CCOCCCSC1CC1 12ab0ab4dc0e8d370d4e01822aeb70a9 [1,0,0,1,0,0|1,0,1]=4 4061 B11R1.99 C=CCOCCNCC1CC1 8047ca8969fff93987a1b09a60854176 [1,0,0,1,0,0|1,0,1]=4 4062 B11R1.99 C=CCOCCOCC1CC1 62772ee666182cd222895c8cb99fed2e [1,0,0,1,0,0|1,0,1]=4 4063 B11R1.181 C=CCOCC1CCC1OC 8091a3ab420ab2ee989ef330bfc2eae9 [1,0,0,1,0,0|1,0,1]=4 4064 B11R1.181 C=CCOC[C@@H]1CC[C@H]1OC 3a4dded544ba8c0923ceae2ca8112f93 [1,0,0,1,0,0|1,0,1]=4 4065 B11R1.181 C=CCOC[C@H]1CC[C@H]1OC 06a9f7dab4c03ca844969bb9851cc76d [1,0,0,1,0,0|1,0,1]=4 4066 B11R1.203 C=CCCN1CCCCCC1 eb2e9f8ff933d84afc9e9e7bdb27e526 [1,0,0,1,0,0|2,0,0]=4 4067 B11R1.203 C=CCNC1CCCCCC1 835b77ea2f05d1db508b48e058218dd9 [1,0,0,1,0,0|1,0,1]=4 4068 B11R1.203 C=CCOC1CCCCCC1 ca0d4f6ae71f9bd82e371d166ad276fd [1,0,0,1,0,0|0,0,1]=3 4069 B11R1.203 C=CCOC1CCCOCC1 9a61617b39c478d5d16ad9dcc6077816 [1,0,0,1,0,0|1,0,1]=4 4070 B11R1.203 O=CCOC1CCCCCC1 90420dad8ba0ca85278761550a74b58d [1,0,0,1,0,0|1,0,1]=4 4071 B11R1.29 C=CCOC(C)C1CCCC1 08760211877661946cafc2896b5ff009 [1,0,0,1,0,0|1,0,1]=4 4072 B11R1.283 C=CCCC(=O)NC1CC1C 61d008ca7623c6ad45a62d18a5be52bd [1,0,0,1,0,0|2,0,0]=4 4073 B11R1.284 C=CCCC(=O)NC1CCC1 3b71ae8695f7ac08d6bb2da056c36e08 [1,0,0,1,0,0|2,0,0]=4 4074 B11R1.284 C=CCNC(=O)CN1CCC1 411ec7e8526074711ded3425e4dbeb60 [1,0,0,1,0,0|2,0,0]=4 4075 B11R1.284 C=CCOC(=O)CN1CCC1 be3c27b4e95611effbd24513b9e2295b [1,0,0,1,0,0|1,0,0]=3 4076 B11R1.285 C=CCCC(=O)NCC1CC1 656902684ca879da2c575033e8e63428 [1,0,0,1,0,0|2,0,0]=4 4077 B11R1.285 C=CCNC(=O)CNC1CC1 f27bd2f3552aa56e9ff9839968dc32e5 [1,0,0,1,0,0|2,0,0]=4 4078 B11R1.285 C=CCNC(=O)COC1CC1 b45e937576be904dac2693d7f84e15b3 [1,0,0,1,0,0|2,0,0]=4 4079 B11R1.285 C=CCOC(=O)CNC1CC1 10cfb17361a2e78efcebde0bb454ebb2 [1,0,0,1,0,0|1,0,0]=3 4080 B11R1.285 C=CCOC(=O)COC1CC1 e9d874b1928075778c7eef0bed2c862c [1,0,0,1,0,0|1,0,0]=3 4081 B13R1.24 C#CCOCC(=O)C1CCCCC1 86b3bed71540845ed2177eca0e9309c2 [0,1,0,1,0,0|0,0,2]=4 4082 B13R1.24 C/C=C/COC(C)C1CCCCC1 243b79954e68577f98976bb3fe330e26 [0,1,0,1,0,0|1,0,1]=4 4083 B13R1.24 C/C=C/CO[C@@H](C)C1CCCCC1 e188bc78ac1e807531571d669a6d7151 [0,1,0,1,0,0|1,0,1]=4 4084 B13R1.24 C/C=C/CO[C@H](C)C1CCCCC1 28035bd1fdab751fcefec18eb6b0a7b6 [0,1,0,1,0,0|1,0,1]=4 4085 B13R1.24 C/C=C\COC(C)C1CCCCC1 ef6e50ad246151977bc99d579c180420 [0,1,0,1,0,0|1,0,1]=4 4086 B13R1.24 C/C=C\CO[C@@H](C)C1CCCCC1 89d88f29124fd87de34852c16f68dbea [0,1,0,1,0,0|1,0,1]=4 4087 B13R1.24 C/C=C\CO[C@H](C)C1CCCCC1 808a64e0154b3e488d61f538491b5811 [0,1,0,1,0,0|1,0,1]=4 4088 B13R1.24 C=CCCNC(=O)C1CCCCO1 45a0851dcfc9daa20e3099c3dffa0abb [0,1,0,1,0,0|2,0,0]=4 4089 B13R1.24 C=CCCNC(=O)[C@@H]1CCCCO1 43f1778c28f941645eea1ff8f9608504 [0,1,0,1,0,0|2,0,0]=4 4090 B13R1.24 C=CCCNC(=O)[C@H]1CCCCO1 bd2ff8b83346e622ba69f7a8241b0424 [0,1,0,1,0,0|2,0,0]=4 4091 B13R1.24 C=CCCOC(C)C1CCCCC1 1293d003d90d9705177fb2a1e12e42e0 [0,1,0,1,0,0|1,0,1]=4 4092 B13R1.24 C=CCCO[C@@H](C)C1CCCCC1 b31510c865fbe09a6c30fe7c6d410d59 [0,1,0,1,0,0|1,0,1]=4 4093 B13R1.24 C=CCCO[C@H](C)C1CCCCC1 f79aa151153b8a31b29be8f830550fc4 [0,1,0,1,0,0|1,0,1]=4 4094 B13R1.24 C=CCNCC(=O)N1CCCCC1 f5da5395edfe4feb443f6634e872fc31 [0,1,0,1,0,0|2,0,0]=4 4095 B13R1.24 C=CCOCC(=O)C1CCCCC1 3cbfaa3a2a5e03132fcbfd1f2d4ac254 [0,1,0,1,0,0|0,0,0]=2 4096 B13R1.24 C=CCOCC(=O)N1CCCCC1 b3eeb0424849375cda7913a27bfcda39 [0,1,0,1,0,0|1,0,0]=3 4097 B13R1.24 C=CCOCC(=O)N1CCCOC1 0dadfda84015ac30fc37b6d4b41805fd [0,1,0,1,0,0|2,0,0]=4 4098 B13R1.24 C=CCOCC(=O)N1CCCSC1 ad2e951563c361759fcbee9a7a28ae10 [0,1,0,1,0,0|2,0,0]=4 4099 B13R1.24 C=CCOCC(=O)N1CCOCC1 17979f3ed793cc547126fd24487b2665 [0,1,0,1,0,0|2,0,0]=4 4100 B13R1.24 C=CCOCC(=O)N1CCSCC1 aff8a41fbf04b53d89d338be6477e4f7 [0,1,0,1,0,0|2,0,0]=4 4101 B13R1.24 C=CCOCC(C)C1CCCCC1 f3b092abdb93a57817990e87cd2ff314 [0,1,0,1,0,0|1,0,1]=4 4102 B13R1.24 CC(OC/C=C/Cl)C1CCCCC1 0596e207cd2b707049ddc34e86e334a3 [0,1,0,1,0,0|1,0,1]=4 4103 B13R1.24 CC(OC/C=C\Cl)C1CCCCC1 c2dda8cd5b222c8b7b342f3096c154a3 [0,1,0,1,0,0|1,0,1]=4 4104 B13R1.24 CC(OCC=CCl)C1CCCCC1 6873797f686f89b3db2862d54e61026c [0,1,0,1,0,0|1,0,1]=4 4105 B13R1.24 CC=CCNC(=O)C1CCCCO1 7db22396e3ba5b4a84c39fadbfc1f9c5 [0,1,0,1,0,0|2,0,0]=4 4106 B13R1.24 CC=CCNC(=O)[C@@H]1CCCCO1 bf61a73d0842d5f6c0a93683aca9fe50 [0,1,0,1,0,0|2,0,0]=4 4107 B13R1.24 CC=CCNC(=O)[C@H]1CCCCO1 70d2f3c4662f9690993c32b36bed4b45 [0,1,0,1,0,0|2,0,0]=4 4108 B13R1.24 CC=CCOC(C)C1CCCCC1 0bad7915c806fd07f30f8075e3f2eb8d [0,1,0,1,0,0|1,0,1]=4 4109 B13R1.24 CCCOCC(=O)C1CCCCC1 895fb11d3d7dc637285ee3ef7c3509b4 [0,1,0,1,0,0|0,0,2]=4 4110 B13R1.24 COCOCC(=O)C1CCCCC1 9b4835e4aef3930f815e7027fdfe0abb [0,1,0,1,0,0|1,0,1]=4 4111 B13R1.24 CSCOCC(=O)C1CCCCC1 1c95ffd2f332f8aa526eec2ce59939a6 [0,1,0,1,0,0|1,0,1]=4 4112 B13R1.24 C[C@@H](OC/C=C/Cl)C1CCCCC1 7bf7be19858c399f7031bc0749be70c6 [0,1,0,1,0,0|1,0,1]=4 4113 B13R1.24 C[C@@H](OC/C=C\Cl)C1CCCCC1 285d8218adf84493dc65f618453bdefa [0,1,0,1,0,0|1,0,1]=4 4114 B13R1.24 C[C@H](OC/C=C/Cl)C1CCCCC1 7f379f9ad41594083e0ea376b46d79ba [0,1,0,1,0,0|1,0,1]=4 4115 B13R1.24 C[C@H](OC/C=C\Cl)C1CCCCC1 5d3a47a711282b9106aa52aff391cd5b [0,1,0,1,0,0|1,0,1]=4 4116 B13R1.24 N#CCOCC(=O)C1CCCCC1 064b38f8bcdb1b7fb1a451d1826725ec [0,1,0,1,0,0|1,0,1]=4 4117 B13R1.24 N#CNCOC(=O)C1CCCCC1 821e9afb809ee36fb80381f1a2d79e0b [0,1,0,1,0,0|1,0,1]=4 4118 B13R1.24 O=C(COCCF)C1CCCCC1 9c6f793facd36c985112f3ba1879a19f [0,1,0,1,0,0|1,0,1]=4 4119 B13R1.24 O=C(COCCS)C1CCCCC1 7ff5858b30994f05cb9df3868d2be1a5 [0,1,0,1,0,0|1,0,1]=4 4120 B13R1.24 O=CCOCC(=O)C1CCCCC1 dc13326ffbd2a279ac08f7b12b640819 [0,1,0,1,0,0|1,0,0]=3 4121 B13R1.24 O=CCOCC(=O)N1CCCCC1 45e60282ce4ba9c0cf0338943e2a453f [0,1,0,1,0,0|2,0,0]=4 4122 B13R1.48 CCCCCCC(=O)N1CC=CC1 0eae4a4f6189f4fe40351868231b9fa4 [0,1,0,1,0,0|1,0,0]=3 4123 B13R1.48 CCCCCNC(=O)N1CC=CC1 ad30206ed56fc6a2c0041807c8a259ce [0,1,0,1,0,0|2,0,0]=4 4124 B13R1.48 CCCCCNC(=O)c1ccco1 6dc310eccc36aa6ca724e7c169385495 [0,1,0,1,0,0|1,0,1]=4 4125 B13R1.48 CCCCCNC(=O)c1ccno1 ec82649d7f59645325697515ccc2a155 [0,1,0,1,0,0|2,0,0]=4 4126 B13R1.48 CCCCNCC(=O)c1ccco1 f498e31f4a3ef1585ac107fb53e6f643 [0,1,0,1,0,0|1,0,1]=4 4127 B13R1.48 CCCCOCC(=O)N1CC=CC1 9a05386f78080688fadebdc1e92a8a4f [0,1,0,1,0,0|2,0,0]=4 4128 B13R1.48 CCCCOCC(=O)c1ccco1 c937ec2ab7e7e1d7c0e9ac9f961dfd86 [0,1,0,1,0,0|1,0,1]=4 4129 B13R1.48 CCCCSCC(=O)N1CC=CC1 6f139379f941223832e2d61293773c1d [0,1,0,1,0,0|2,0,0]=4 4130 B13R1.48 CCCOCCC(=O)N1CC=CC1 d7e7201a33d51713348238052fbcf2ed [0,1,0,1,0,0|2,0,0]=4 4131 B13R1.48 O=C(CCCCCF)N1CC=CC1 1f7686456721605002fbf88573386a89 [0,1,0,1,0,0|2,0,0]=4 4132 B13R1.48 O=C(CCCCCO)N1CC=CC1 005ca22156b27c9b5fb71030f6e82f6f [0,1,0,1,0,0|2,0,0]=4 4133 B13R1.48 O=C(CCCCCS)N1CC=CC1 36bad749e73cecaba81ce4fef19d33f5 [0,1,0,1,0,0|2,0,0]=4 4134 B13R1.154 C=CCNC1CCCCCNC1=O 624070b6426ce1c2228571b09e71ed5d [0,1,0,1,0,0|2,0,0]=4 4135 B13R1.156 C=CCCCC(=O)NC1CCCC1 cb55b5584ea371f5f9a0ce8e013aa3ef [0,1,0,1,0,0|2,0,0]=4 4136 B13R1.156 C=CCCNC(=O)CC1CCCC1 447aa3327ace5ff027c7c999b46efbc0 [0,1,0,1,0,0|1,0,0]=3 4137 B13R1.156 C=CCCNC(=O)CC1CCCO1 31c9b023cac20a5a69fbc32cae704c8e [0,1,0,1,0,0|2,0,0]=4 4138 B13R1.156 C=CCCNC(=O)CC1CCOC1 c80732edc3e8d383cd0ff3cf5d5d9990 [0,1,0,1,0,0|2,0,0]=4 4139 B13R1.156 C=CCCNC(=O)CN1CCCC1 214f31762ce78192b42d50da0b1d53b9 [0,1,0,1,0,0|2,0,0]=4 4140 B13R1.156 C=CCCNC(=O)C[C@@H]1CCOC1 8fa929180ad1fe658361f4c4d54ba05b [0,1,0,1,0,0|2,0,0]=4 4141 B13R1.156 C=CCCNC(=O)C[C@H]1CCOC1 2548ac65a3a18db965984ff051154b8c [0,1,0,1,0,0|2,0,0]=4 4142 B13R1.156 C=CCCNC(=O)NC1CCCC1 e3fff6c5709806dc7ca422c565d5e731 [0,1,0,1,0,0|2,0,0]=4 4143 B13R1.156 C=CCNCC(=O)NC1CCCC1 64fa1f5eba5c9d48eac60c5a8071e4f9 [0,1,0,1,0,0|2,0,0]=4 4144 B13R1.156 C=CCNCC(=O)OC1CCCC1 34336d89bb7d7e1ab6fdffa84632f542 [0,1,0,1,0,0|2,0,0]=4 4145 B13R1.156 C=CCOCC(=O)NC1CCCC1 51e030e6e94d5268162c9a24f65d970d [0,1,0,1,0,0|1,0,0]=3 4146 B13R1.156 C=CCOCC(=O)NC1CCOC1 f81a8e16edf3978cf5e59b8e6ec0964a [0,1,0,1,0,0|2,0,0]=4 4147 B13R1.156 C=CCOCC(=O)NC1CCSC1 e7f51880cfb8ed878a29c081d4df33af [0,1,0,1,0,0|2,0,0]=4 4148 B13R1.156 C=CCOCC(=O)N[C@@H]1CCOC1 7de48f1ac12306d853f86778bf52dc77 [0,1,0,1,0,0|2,0,0]=4 4149 B13R1.156 C=CCOCC(=O)N[C@H]1CCOC1 b692303cdd50e158d9c7c17a04f59f1d [0,1,0,1,0,0|2,0,0]=4 4150 B13R1.156 C=CCOCC(C)CC1CCCC1 7ee1e86740ca7f454fc9373910495532 [0,1,0,1,0,0|1,0,1]=4 4151 B13R1.156 C=CCSCC(=O)NC1CCCC1 fb6a276e1df55ea50fb298f52b1918ca [0,1,0,1,0,0|1,1,0]=4 4152 B13R1.156 CC=CCCC(=O)NC1CCCC1 71a90f185345be21012c221814811349 [0,1,0,1,0,0|2,0,0]=4 4153 B13R1.156 CC=CCNC(=O)CC1CCCC1 1a06c31fbab21f16ab100803e8696982 [0,1,0,1,0,0|1,0,0]=3 4154 B13R1.156 CC=CCNC(=O)CC1CCCO1 ab365a730c76cc5089140d13c3de3a18 [0,1,0,1,0,0|2,0,0]=4 4155 B13R1.156 CC=CCNC(=O)CC1CCOC1 ba68ee46b6bf29c4761d11084225f04c [0,1,0,1,0,0|2,0,0]=4 4156 B13R1.156 CC=CCNC(=O)CN1CCCC1 f3cda40d1e983bbf77e47b5bfd68f49b [0,1,0,1,0,0|2,0,0]=4 4157 B13R1.156 CC=CCNC(=O)C[C@@H]1CCOC1 d251a68221c90d3927eb86bb25b00a91 [0,1,0,1,0,0|2,0,0]=4 4158 B13R1.156 CC=CCNC(=O)C[C@H]1CCOC1 ca59f1cd35a003abdbf2f65833e15200 [0,1,0,1,0,0|2,0,0]=4 4159 B13R1.156 CC=CCNC(=O)NC1CCCC1 7cbaf07f82e4bc3f520c9532c898e2b9 [0,1,0,1,0,0|2,0,0]=4 4160 B13R1.156 N#CNCOC(=O)CC1CCCC1 2f9429bff71adab1da9834f10a3f855d [0,1,0,1,0,0|1,0,1]=4 4161 B13R1.666 C/C=C/COC1CCCC(C1)CC bb335b8a53e1305c96b6ed6c0acc07a1 [0,1,0,1,0,0|1,0,1]=4 4162 B13R1.666 C/C=C\COC1CCCC(C1)CC 84902602f20da126e485f14a089db137 [0,1,0,1,0,0|1,0,1]=4 4163 B13R1.666 C=CCCOC1CCCC(C1)CC b39bbb4d88ec7dacb94b29ec2632e614 [0,1,0,1,0,0|1,0,1]=4 4164 B13R1.666 CCC1CCCC(C1)OC/C=C/Cl f857cd3e72077507754534866292d07d [0,1,0,1,0,0|1,0,1]=4 4165 B13R1.666 CCC1CCCC(C1)OC/C=C\Cl 4d39935cf3cf53c8e3fca9498926051a [0,1,0,1,0,0|1,0,1]=4 4166 B13R1.725 C=CCCCC(=O)N1CCCC1C 44a57205aefd4e5a623cf4426a32fa17 [0,1,0,1,0,0|2,0,0]=4 4167 B13R1.725 C=CCCCC(=O)N1CCC[C@@H]1C 8ae0d7d818c3ed1e779e81847d0b9384 [0,1,0,1,0,0|2,0,0]=4 4168 B13R1.725 C=CCCCC(=O)N1CCC[C@H]1C cfbca21a67be55ee2de740fbcaffffc9 [0,1,0,1,0,0|2,0,0]=4 4169 B13R1.725 C=CCCNC(=O)C1CCCN1C f901569aea4a899415ab4e1f7b4a3dde [0,1,0,1,0,0|2,0,0]=4 4170 B13R1.725 C=CCCNC(=O)N1CCCC1C c826340a0b43257e08ae4b33ff1bd52d [0,1,0,1,0,0|2,0,0]=4 4171 B13R1.725 C=CCCNC(=O)N1CCC[C@@H]1C 66479e3cace49187ea40f486ca109e0d [0,1,0,1,0,0|2,0,0]=4 4172 B13R1.725 C=CCCNC(=O)N1CCC[C@H]1C 637bd4c26c29936eb410d5bbfd0b8c35 [0,1,0,1,0,0|2,0,0]=4 4173 B13R1.725 C=CCCNC(=O)[C@@H]1CCCN1C 081576969d061020dfe80a2754b40b98 [0,1,0,1,0,0|2,0,0]=4 4174 B13R1.725 C=CCCNC(=O)[C@H]1CCCN1C f1f1b6faee142a47827d008d748261fb [0,1,0,1,0,0|2,0,0]=4 4175 B13R1.725 C=CCNCC(=O)N1CCCC1C 262908f272caf168d9c5029cd00cecf2 [0,1,0,1,0,0|2,0,0]=4 4176 B13R1.725 C=CCOCC(=O)N1CCCC1C 9300171430f96d246194be32a9f1e159 [0,1,0,1,0,0|1,0,0]=3 4177 B13R1.725 C=CCOCC(=O)N1CCCC1O 2e622023d887c6dfa9ec4301aaf40d97 [0,1,0,1,0,0|2,0,0]=4 4178 B13R1.725 C=CCOCC(=O)N1CCC[C@@H]1C 4091be4ba6af2dbac509250789e1decf [0,1,0,1,0,0|1,0,0]=3 4179 B13R1.725 C=CCOCC(=O)N1CCC[C@H]1C 273e4fb5e636343d983e11035f57f786 [0,1,0,1,0,0|1,0,0]=3 4180 B13R1.725 C=CCOCC(=O)N1CCSC1C ee253cc839ddc85af670e798cdad75af [0,1,0,1,0,0|2,0,0]=4 4181 B13R1.725 C=CCSCC(=O)N1CCCC1C 487b1da4677095def272b95fd72318e6 [0,1,0,1,0,0|1,1,0]=4 4182 B13R1.725 C=CCSCC(=O)N1CCC[C@@H]1C d3bba4a7ad83774ffb5782ee7b7def29 [0,1,0,1,0,0|1,1,0]=4 4183 B13R1.725 C=CCSCC(=O)N1CCC[C@H]1C 0bb084009f6e2d8524d973a20e860227 [0,1,0,1,0,0|1,1,0]=4 4184 B13R1.725 CC=CCCC(=O)N1CCCC1C bafd6c2c4c13ec10b0ee3623093db957 [0,1,0,1,0,0|2,0,0]=4 4185 B13R1.725 CC=CCCC(=O)N1CCC[C@@H]1C a46c625b27effb8a871e3ca12f247b4c [0,1,0,1,0,0|2,0,0]=4 4186 B13R1.725 CC=CCCC(=O)N1CCC[C@H]1C 36ac1fcf315a09919ffc91e4cae97b40 [0,1,0,1,0,0|2,0,0]=4 4187 B13R1.725 CC=CCNC(=O)C1CCCN1C ef81a997ff5ba3fbd9656d6f3927e299 [0,1,0,1,0,0|2,0,0]=4 4188 B13R1.725 CC=CCNC(=O)N1CCCC1C cac576fa2c1f8f2e205fcd49fc40d1e7 [0,1,0,1,0,0|2,0,0]=4 4189 B13R1.725 CC=CCNC(=O)N1CCC[C@@H]1C eb383397d561bc591d35325cb1a2926b [0,1,0,1,0,0|2,0,0]=4 4190 B13R1.725 CC=CCNC(=O)N1CCC[C@H]1C 007dd48525a1f6d4857ad7ffcd4daed2 [0,1,0,1,0,0|2,0,0]=4 4191 B13R1.725 CC=CCNC(=O)[C@@H]1CCCN1C 5bfebe154ed3e321f7aa61a3d8611508 [0,1,0,1,0,0|2,0,0]=4 4192 B13R1.725 CC=CCNC(=O)[C@H]1CCCN1C 6a6b9c932caa78fb955c5c5dcc32e715 [0,1,0,1,0,0|2,0,0]=4 4193 B13R1.726 C=CCCCC(=O)N1CCC1CC d3bb7ce821e44b9ba421deb9adf2fac8 [0,1,0,1,0,0|2,0,0]=4 4194 B13R1.726 C=CCCNC(=O)N1CCC1CC 860246c06a2fd178b7d4033355b22289 [0,1,0,1,0,0|2,0,0]=4 4195 B13R1.726 C=CCCNC(=O)[C@@H]1CCN1CC 784ee6e68594974166c9284c6f76955f [0,1,0,1,0,0|2,0,0]=4 4196 B13R1.726 C=CCOCC(=O)N1CCC1CC c395ef7967bca43e62021da73e592c6d [0,1,0,1,0,0|1,0,0]=3 4197 B13R1.726 C=CCOCC(=O)N1CCC1CO 157fa7999def1e50ecbea04d90f7786f [0,1,0,1,0,0|2,0,0]=4 4198 B13R1.726 C=CCOCC(=O)N1CC[C@@H]1CO e31516f5b5e1d268c21ffb6261563444 [0,1,0,1,0,0|2,0,0]=4 4199 B13R1.726 C=CCOCC(=O)N1CC[C@H]1CO 491c6e046d7d8a825fb959bb5738a235 [0,1,0,1,0,0|2,0,0]=4 4200 B13R1.726 C=CCSCC(=O)N1CCC1CC 45cf38f5d5c6ae781a0cf2db0692d004 [0,1,0,1,0,0|1,1,0]=4 4201 B13R1.726 CC=CCCC(=O)N1CCC1CC 8abc04e853b7607d6394757fea1f3b5f [0,1,0,1,0,0|2,0,0]=4 4202 B13R1.726 CC=CCNC(=O)N1CCC1CC 990c8a252ea1d7dd3b3aa1e541f3fec9 [0,1,0,1,0,0|2,0,0]=4 4203 B13R1.726 CC=CCNC(=O)[C@@H]1CCN1CC 7d7ac834c795a51e3ca15c0791524b52 [0,1,0,1,0,0|2,0,0]=4 4204 B13R1.728 C=CCCCC(=O)NCC1CCC1 a84fb2cb8de5525eea9cb8935935d21d [0,1,0,1,0,0|2,0,0]=4 4205 B13R1.728 C=CCCNC(=O)CCC1CCC1 0f4a78e7ca1437f2ce80757db7242375 [0,1,0,1,0,0|1,0,0]=3 4206 B13R1.728 C=CCCNC(=O)CCN1CCC1 9440eb0f0810f07be9e0c287d15e5d3f [0,1,0,1,0,0|2,0,0]=4 4207 B13R1.728 C=CCCNC(=O)COC1CCC1 d9e8dbe84d0aed2382d32656c218a672 [0,1,0,1,0,0|2,0,0]=4 4208 B13R1.728 C=CCCNC(=O)NCC1CCC1 fa4a8c9f2c747eda56261f796136ec3c [0,1,0,1,0,0|2,0,0]=4 4209 B13R1.728 C=CCOCC(=O)NCC1CCC1 56724b881f3ca8c9d1c0a17d349c9c0c [0,1,0,1,0,0|1,0,0]=3 4210 B13R1.728 C=CCOCC(=O)NCC1CCO1 af51438edb170e338e600fb19cc447f0 [0,1,0,1,0,0|2,0,0]=4 4211 B13R1.728 C=CCOCC(=O)NCC1COC1 731fa5b69ec87a94d57e585cd6f6f27f [0,1,0,1,0,0|2,0,0]=4 4212 B13R1.728 C=CCOCC(=O)NC[C@@H]1CCO1 06db6178b8d57e3fabccca238ba40c2c [0,1,0,1,0,0|2,0,0]=4 4213 B13R1.728 C=CCOCC(=O)NC[C@H]1CCO1 464b254d41707add5797c1ea6fe9e7cf [0,1,0,1,0,0|2,0,0]=4 4214 B13R1.728 C=CCSCC(=O)NCC1CCC1 01e25295d30dcae768c42de6f32f6c78 [0,1,0,1,0,0|1,1,0]=4 4215 B13R1.728 CC=CCCC(=O)NCC1CCC1 caf05e74f6a8d1a50d3a3909e3fd16cf [0,1,0,1,0,0|2,0,0]=4 4216 B13R1.728 CC=CCNC(=O)CCC1CCC1 50e5ae7114e62ce746e8b8b6bff0dda3 [0,1,0,1,0,0|1,0,0]=3 4217 B13R1.728 CC=CCNC(=O)CCN1CCC1 78811870bc0c539f83344493e595ad59 [0,1,0,1,0,0|2,0,0]=4 4218 B13R1.728 CC=CCNC(=O)COC1CCC1 fa7bd4e5cf83fb363ecfc2e184c91a5e [0,1,0,1,0,0|2,0,0]=4 4219 B13R1.728 CC=CCNC(=O)NCC1CCC1 006803731f9e9fdaa1b4288360bd3c72 [0,1,0,1,0,0|2,0,0]=4 4220 B13R1.729 C=CCCCC(=O)NCCC1CC1 aef8e18269af1faa5e8d79b7ae132662 [0,1,0,1,0,0|2,0,0]=4 4221 B13R1.729 C=CCCNC(=O)CCCC1CC1 6127805aea5aaa8341cc154b2606ed96 [0,1,0,1,0,0|1,0,0]=3 4222 B13R1.729 C=CCCNC(=O)COCC1CC1 d864bcdb1d8407ed3878c63981a45acd [0,1,0,1,0,0|2,0,0]=4 4223 B13R1.729 C=CCCNC(=O)CSCC1CC1 b1c13d42403ae70fb5d49c60444974c2 [0,1,0,1,0,0|2,0,0]=4 4224 B13R1.729 C=CCCNC(=O)NCCC1CC1 7bda6595b77d9f78f62c6b35401b8ae5 [0,1,0,1,0,0|2,0,0]=4 4225 B13R1.729 C=CCOCC(=O)NCCC1CC1 5043481d006f2bd69d354924de5471c2 [0,1,0,1,0,0|1,0,0]=3 4226 B13R1.729 C=CCOCC(=O)NCCN1CC1 3cfdef232d98b63b82ee32461819a801 [0,1,0,1,0,0|2,0,0]=4 4227 B13R1.729 C=CCSCC(=O)NCCC1CC1 6cf1793ad2ec21129fb05087c93c8947 [0,1,0,1,0,0|1,1,0]=4 4228 B13R1.729 CC=CCCC(=O)NCCC1CC1 118e07df120ccff063710aa4ebdf1efd [0,1,0,1,0,0|2,0,0]=4 4229 B13R1.729 CC=CCNC(=O)CCCC1CC1 9c1d3a23b1f35a38e1208edb69ba57d0 [0,1,0,1,0,0|1,0,0]=3 4230 B13R1.729 CC=CCNC(=O)COCC1CC1 6b45f931b22219e71e5c4fd66ae0eb0d [0,1,0,1,0,0|2,0,0]=4 4231 B13R1.729 CC=CCNC(=O)CSCC1CC1 feaf68695d564d46883157a9a2f1c9d8 [0,1,0,1,0,0|2,0,0]=4 4232 B13R1.729 CC=CCNC(=O)NCCC1CC1 e5d6b96e4dbf9e695a9895ece8857386 [0,1,0,1,0,0|2,0,0]=4 4233 B13R1.731 C=CCCNC(=O)CC1CC1CC 6ef1c2675ec73abf4b507a33fc0bed5e [0,1,0,1,0,0|1,0,0]=3 4234 B13R1.731 C=CCOCC(=O)N[C@@H]1C[C@@H]1OC eac935dfc082f00dfb14ecd73feb6d1b [0,1,0,1,0,0|2,0,0]=4 4235 B13R1.731 C=CCOCC(=O)N[C@@H]1C[C@H]1CO b90f100c61fa0aef3e4de2c8fb934a47 [0,1,0,1,0,0|2,0,0]=4 4236 B13R1.731 C=CCOCC(=O)N[C@H]1C[C@@H]1CO 462cf69aa4d23278d9313bc802cae516 [0,1,0,1,0,0|2,0,0]=4 4237 B13R1.731 C=CCOCC(=O)N[C@H]1C[C@H]1CO 3910217780f44c221ecff3bbd211d32a [0,1,0,1,0,0|2,0,0]=4 4238 B13R1.731 CC=CCNC(=O)CC1CC1CC 2e7c396472d51cebb250b01a651188e9 [0,1,0,1,0,0|1,0,0]=3 4239 B13R1.1150 C/C=C/COC1CCCCCCC1 7261032e6392af4f81a70fc7c78ab006 [0,1,0,1,0,0|1,0,1]=4 4240 B13R1.1150 C/C=C\COC1CCCCCCC1 6f084317d7a2ddd1da89098990f25f76 [0,1,0,1,0,0|1,0,1]=4 4241 B13R1.1150 C=CCCOC1CCCCCCC1 becde40bae44390507e7e9e2f6dfe2fc [0,1,0,1,0,0|1,0,1]=4 4242 B13R1.1150 C=CCOCC1CCCCCCC1 a3e24d2dd9de6ac8c0bb78a930aaa84b [0,1,0,1,0,0|1,0,1]=4 4243 B13R1.1150 Cl/C=C/COC1CCCCCCC1 e06b9cfb92fb42a4106c786f3fb663a4 [0,1,0,1,0,0|1,0,1]=4 4244 B13R1.1150 Cl/C=C\COC1CCCCCCC1 74ee6dcdd745e69624a86cc1ada5f9e9 [0,1,0,1,0,0|1,0,1]=4 4245 B13R1.3538 C=CCCCC(=O)N[C@@H]1CC[C@H]1C cc686bf7e56900c3ca8727de69bf71aa [0,1,0,1,0,0|2,0,0]=4 4246 B13R1.3538 C=CCCCC(=O)N[C@H]1CC[C@H]1C d441bf51fcbb775761169e2430c902ec [0,1,0,1,0,0|2,0,0]=4 4247 B13R1.3538 C=CCCNC(=O)N[C@@H]1CC[C@H]1C 5ad63ddf5144953ffa95fc45bff5c124 [0,1,0,1,0,0|2,0,0]=4 4248 B13R1.3538 C=CCCNC(=O)N[C@H]1CC[C@H]1C 5ef7fba7bc4d9fbf19962f56bf2161e3 [0,1,0,1,0,0|2,0,0]=4 4249 B13R1.3538 C=CCOCC(=O)NC1CCC1F 0496a98926d7cdb295c014a0698bfb4d [0,1,0,1,0,0|2,0,0]=4 4250 B13R1.3538 C=CCOCC(=O)NC1CCC1O d61cb1091602afbd8385adeb52ef4567 [0,1,0,1,0,0|2,0,0]=4 4251 B13R1.3538 C=CCOCC(=O)NC1COC1C 8b5293f10a73f5047d3c482d20f920da [0,1,0,1,0,0|2,0,0]=4 4252 B13R1.3538 C=CCOCC(=O)N[C@@H]1CC[C@@H]1O 3fce46bd83d0b30bd72bc141890bf452 [0,1,0,1,0,0|2,0,0]=4 4253 B13R1.3538 C=CCOCC(=O)N[C@@H]1CC[C@H]1C 1eb4c20c6dfed25f8a3b187c878027a6 [0,1,0,1,0,0|1,0,0]=3 4254 B13R1.3538 C=CCOCC(=O)N[C@@H]1CC[C@H]1O 79be9bccb735a6962b172a311b07bd36 [0,1,0,1,0,0|2,0,0]=4 4255 B13R1.3538 C=CCOCC(=O)N[C@H]1CC[C@@H]1O b46799ebc35fa95326dd1d17763d50d6 [0,1,0,1,0,0|2,0,0]=4 4256 B13R1.3538 C=CCOCC(=O)N[C@H]1CC[C@H]1C 0640def1efe996f03c232bdb9ecc2201 [0,1,0,1,0,0|1,0,0]=3 4257 B13R1.3538 C=CCOCC(=O)N[C@H]1CC[C@H]1O 4dc47c3a99d270900f5be812bbbd238c [0,1,0,1,0,0|2,0,0]=4 4258 B13R1.3538 C=CCSCC(=O)N[C@@H]1CC[C@H]1C 54802de2a8410027ebfb648549041a65 [0,1,0,1,0,0|1,1,0]=4 4259 B13R1.3538 C=CCSCC(=O)N[C@H]1CC[C@H]1C 12d3ffb5765498a5729733f8e12c02d6 [0,1,0,1,0,0|1,1,0]=4 4260 B13R1.3538 CC=CCCC(=O)N[C@@H]1CC[C@H]1C ccfaa84171cc47aa0e60549fcdf08c59 [0,1,0,1,0,0|2,0,0]=4 4261 B13R1.3538 CC=CCCC(=O)N[C@H]1CC[C@H]1C f12281d39c4898f5caa54952e537e784 [0,1,0,1,0,0|2,0,0]=4 4262 B13R1.3538 CC=CCNC(=O)N[C@@H]1CC[C@H]1C cb0371387064ebe6efd4e358ca39031d [0,1,0,1,0,0|2,0,0]=4 4263 B13R1.3538 CC=CCNC(=O)N[C@H]1CC[C@H]1C 52cbf29ac51e604fb8adf08aef43c0bd [0,1,0,1,0,0|2,0,0]=4 4264 B13R1.18 C=CCCC(=O)N1CCCC(C1)C 430c853ba62df125aad9ce63724bae38 [0,1,0,1,0,0|2,0,0]=4 4265 B13R1.18 C=CCCC(=O)N1CCCC(C1)F 55223e9e0c5255a95edaa4f0aa3de954 [0,1,0,1,0,0|2,0,0]=4 4266 B13R1.18 C=CCCC(=O)N1CCCC(C1)O 97f10a937c61d011bde7b60547aa8dda [0,1,0,1,0,0|2,0,0]=4 4267 B13R1.18 C=CCCC(=O)N1CCC[C@@H](C1)C 9a2bacc462bd938b0e9fe233ecb12a54 [0,1,0,1,0,0|2,0,0]=4 4268 B13R1.18 C=CCCC(=O)N1CCC[C@@H](C1)F 3ecbd5f3e6b19292d235f950d4b6de6f [0,1,0,1,0,0|2,0,0]=4 4269 B13R1.18 C=CCCC(=O)N1CCC[C@@H](C1)O 7113a0f6d97fe60e40bb6d08e15e00eb [0,1,0,1,0,0|2,0,0]=4 4270 B13R1.18 C=CCCC(=O)N1CCC[C@H](C1)C 63160becc92106a250c3d208d320e23a [0,1,0,1,0,0|2,0,0]=4 4271 B13R1.18 C=CCCC(=O)N1CCC[C@H](C1)F 91eecf78a5f1f2e89fe5707f5f7f56d6 [0,1,0,1,0,0|2,0,0]=4 4272 B13R1.18 C=CCCC(=O)N1CCC[C@H](C1)O 59dc329e81803447526d4f7759a7509e [0,1,0,1,0,0|2,0,0]=4 4273 B13R1.43 C=CCCC(=O)NC1CCC(C1)C 2ace509cb0effac005b286ef62785035 [0,1,0,1,0,0|2,0,0]=4 4274 B13R1.43 C=CCCC(=O)NC1CCC(C1)O e169a428f5c478827bd1ae526ae3edec [0,1,0,1,0,0|2,0,0]=4 4275 B13R1.43 C=CCCC(=O)N[C@@H]1CC[C@@H](C1)O a22fc57efc57bd23822675642420b18f [0,1,0,1,0,0|2,0,0]=4 4276 B13R1.43 C=CCCC(=O)N[C@@H]1CC[C@H](C1)O fae0279a3f513bb47fa09b083da06439 [0,1,0,1,0,0|2,0,0]=4 4277 B13R1.43 C=CCCC(=O)N[C@H]1CC[C@@H](C1)O f966fa57e32b3f33c23db0e83b68e029 [0,1,0,1,0,0|2,0,0]=4 4278 B13R1.43 C=CCCC(=O)N[C@H]1CC[C@H](C1)O cba23d89bf8d8c9bb39bb19d068b868d [0,1,0,1,0,0|2,0,0]=4 4279 B13R1.43 C=CCNC(=O)CN1CCC(C1)C b8324cb564f370b3b4fad723d9d349f4 [0,1,0,1,0,0|2,0,0]=4 4280 B13R1.43 C=CCNC(=O)CN1CCC(C1)F 57cff6d00240d6dea3fbc7f8edf7ee9e [0,1,0,1,0,0|2,0,0]=4 4281 B13R1.43 C=CCNC(=O)CN1CCC(C1)O 1953513504e05fa7023f7b5fab836d40 [0,1,0,1,0,0|2,0,0]=4 4282 B13R1.43 C=CCNC(=O)CN1CC[C@@H](C1)F 6e872eb4de72cc77f8eefc90471d32e6 [0,1,0,1,0,0|2,0,0]=4 4283 B13R1.43 C=CCNC(=O)CN1CC[C@@H](C1)O 06c6d007373f7a541dda4f85b341ff17 [0,1,0,1,0,0|2,0,0]=4 4284 B13R1.43 C=CCNC(=O)CN1CC[C@H](C1)F 2d8f975aaf434d8a5799da280368987e [0,1,0,1,0,0|2,0,0]=4 4285 B13R1.43 C=CCNC(=O)CN1CC[C@H](C1)O 3b5597f7b2d30fdf5c5db3a7886de341 [0,1,0,1,0,0|2,0,0]=4 4286 B13R1.43 C=CCOC(=O)CN1CCC(C1)C fb64850bf3016d528101398b70cdd722 [0,1,0,1,0,0|1,0,0]=3 4287 B13R1.43 C=CCOC(=O)CN1CCC(C1)F 774a0b82e458eb254d9f148f3bab1c1c [0,1,0,1,0,0|1,0,0]=3 4288 B13R1.43 C=CCOC(=O)CN1CCC(C1)O 340e7994d08ce9511efc1311aed08efd [0,1,0,1,0,0|1,0,0]=3 4289 B13R1.43 C=CCOC(=O)CN1CCN(C1)C e5e3fd5607d9f5600c3bb6399634d4e3 [0,1,0,1,0,0|2,0,0]=4 4290 B13R1.43 C=CCOC(=O)CN1CC[C@@H](C1)F 9ba263dcd90ec26c55be0743580c7896 [0,1,0,1,0,0|1,0,0]=3 4291 B13R1.43 C=CCOC(=O)CN1CC[C@@H](C1)O 862e9342e73c0ac0d6d9db4ac4a518f9 [0,1,0,1,0,0|1,0,0]=3 4292 B13R1.43 C=CCOC(=O)CN1CC[C@H](C1)F ab82d38bff2fc1a6d76bd07bf71aba2f [0,1,0,1,0,0|1,0,0]=3 4293 B13R1.43 C=CCOC(=O)CN1CC[C@H](C1)O 2df0ac2b0231342457d4baca9e7c2e71 [0,1,0,1,0,0|1,0,0]=3 4294 B13R1.676 C=CCCC(=O)NCCOC1CC1 8f633dcf949512a5e40687f2cc73c755 [0,1,0,1,0,0|2,0,0]=4 4295 B13R1.676 C=CCNC(=O)CCNCC1CC1 55ce4f0dbf369eda114ff7a84512b595 [0,1,0,1,0,0|1,0,0]=3 4296 B13R1.676 C=CCNC(=O)CCOCC1CC1 2493ecabbb15f6b4eb87feb63184726c [0,1,0,1,0,0|1,0,0]=3 4297 B13R1.676 C=CCNC(=O)CNCCC1CC1 9deb803313d223bf350e9d5f4e915464 [0,1,0,1,0,0|1,0,0]=3 4298 B13R1.676 C=CCNC(=O)CNCCN1CC1 c3fc7f35073c13d9eda466cf3051a878 [0,1,0,1,0,0|2,0,0]=4 4299 B13R1.676 C=CCNC(=O)COCCC1CC1 dd6d96da99b26c7a75024cee618f6b78 [0,1,0,1,0,0|1,0,0]=3 4300 B13R1.676 C=CCNC(=O)COCCN1CC1 50e1d37df80207f7cae71882f46d658a [0,1,0,1,0,0|2,0,0]=4 4301 B13R1.676 C=CCOC(=O)CCCNC1CC1 7a4a7cb33ecd3fa3c1f48031a1e064b4 [0,1,0,1,0,0|0,0,0]=2 4302 B13R1.676 C=CCOC(=O)CCCOC1CC1 9f6e02a491915954a946ee778f564857 [0,1,0,1,0,0|0,0,0]=2 4303 B13R1.676 C=CCOC(=O)CNCCC1CC1 34345bcac922e97744173e426b645c22 [0,1,0,1,0,0|0,0,0]=2 4304 B13R1.676 C=CCOC(=O)CNCCN1CC1 0e175552622c839395b1c35e34d9294c [0,1,0,1,0,0|1,0,0]=3 4305 B13R1.676 C=CCOC(=O)COCCC1CC1 1e65fb17bdb3077a82092d766ad16126 [0,1,0,1,0,0|0,0,0]=2 4306 B13R1.676 C=CCOC(=O)COCCN1CC1 09d32164f550bd3b3ad551c51c678037 [0,1,0,1,0,0|1,0,0]=3 4307 B13R1.676 CCCOC(=O)CCOCC1CC1 a74a197abe45062358e171af301a7ae5 [0,1,0,1,0,0|0,0,2]=4 4308 B13R1.676 CCCOC(=O)CNCCC1CC1 f6549c34152c62726d823671fdea6016 [0,1,0,1,0,0|0,0,2]=4 4309 B13R1.676 CCCOC(=O)COCCC1CC1 e18cbc7a97cb46ef511960ebcc5d73e0 [0,1,0,1,0,0|0,0,2]=4 4310 B13R1.678 C=CCCC(=O)NCC1CC(C1)O 0dea49c589423fb93743169f04b521a9 [0,1,0,1,0,0|2,0,0]=4 4311 B13R1.678 C=CCCC(=O)NC[C@H]1C[C@@H](C1)O 1b642fcefc3de545c47f2fc7407d8df7 [0,1,0,1,0,0|2,0,0]=4 4312 B13R1.678 C=CCCC(=O)NC[C@H]1C[C@H](C1)O 2fb237ab0ecb431bc0b7168df380fe62 [0,1,0,1,0,0|2,0,0]=4 4313 B13R1.678 C=CCNC(=O)CCN1CC(C1)F 1b5b11fa73a79aa872ec5f28d8d1ce58 [0,1,0,1,0,0|2,0,0]=4 4314 B13R1.678 C=CCNC(=O)CCN1CC(C1)O 144f789d07f13ee9c2a5fcf6cb7affaf [0,1,0,1,0,0|2,0,0]=4 4315 B13R1.678 C=CCNC(=O)CNC1CC(C1)F 517cd846a36737cc4726d97160e64e06 [0,1,0,1,0,0|2,0,0]=4 4316 B13R1.678 C=CCNC(=O)CNC1CC(C1)O 17b68433d8d0f664f36779da6d1e56b8 [0,1,0,1,0,0|2,0,0]=4 4317 B13R1.678 C=CCNC(=O)CN[C@H]1C[C@@H](C1)F c067df4c0352fd0e0ee66f2469b8f338 [0,1,0,1,0,0|2,0,0]=4 4318 B13R1.678 C=CCNC(=O)CN[C@H]1C[C@@H](C1)O e55dd38b9404c1149046549888d4ad38 [0,1,0,1,0,0|2,0,0]=4 4319 B13R1.678 C=CCNC(=O)CN[C@H]1C[C@H](C1)F b86c8bc9868d78ab73d40590deb4f6b2 [0,1,0,1,0,0|2,0,0]=4 4320 B13R1.678 C=CCNC(=O)CN[C@H]1C[C@H](C1)O fcbed5e0ff21009a293e01143af30645 [0,1,0,1,0,0|2,0,0]=4 4321 B13R1.678 C=CCNC(=O)COC1CC(C1)C c8c6269c8a1aeae1927c8abd0863327d [0,1,0,1,0,0|2,0,0]=4 4322 B13R1.678 C=CCNC(=O)COC1CC(C1)F 55f2d4f253fd87be468bdadb9f5312d3 [0,1,0,1,0,0|2,0,0]=4 4323 B13R1.678 C=CCNC(=O)CO[C@H]1C[C@@H](C1)F be51e2812be2eaf2f7c2c2eeb1966d02 [0,1,0,1,0,0|2,0,0]=4 4324 B13R1.678 C=CCNC(=O)CO[C@H]1C[C@H](C1)F 3118e6e09544d3c497942752f3798d92 [0,1,0,1,0,0|2,0,0]=4 4325 B13R1.678 C=CCOC(=O)CNC1CC(C1)F 7d63aa130a8d8c1cfb811534d638fd55 [0,1,0,1,0,0|1,0,0]=3 4326 B13R1.678 C=CCOC(=O)CNC1CC(C1)O d4fa733ac409560c726c86782e8a5c54 [0,1,0,1,0,0|1,0,0]=3 4327 B13R1.678 C=CCOC(=O)CNC1CN(C1)C 0f7e873491cf7e7e77a32d5c295b9b0c [0,1,0,1,0,0|2,0,0]=4 4328 B13R1.678 C=CCOC(=O)CN[C@H]1C[C@@H](C1)F bb3296a6c1ac072376e0086eb5312227 [0,1,0,1,0,0|1,0,0]=3 4329 B13R1.678 C=CCOC(=O)CN[C@H]1C[C@@H](C1)O 22ace59b17acd278836515bb2614a0c3 [0,1,0,1,0,0|1,0,0]=3 4330 B13R1.678 C=CCOC(=O)CN[C@H]1C[C@H](C1)F f780cb038cc098fab2b4b203b95e56bc [0,1,0,1,0,0|1,0,0]=3 4331 B13R1.678 C=CCOC(=O)CN[C@H]1C[C@H](C1)O 49bf0b9cb07bbe758a4b14043e1acaca [0,1,0,1,0,0|1,0,0]=3 4332 B13R1.678 C=CCOC(=O)COC1CC(=O)C1 e62ca77953f9e289be3c027f288438a1 [0,1,0,1,0,0|1,0,1]=4 4333 B13R1.678 C=CCOC(=O)COC1CC(C1)C 117c5e109ba842f3eb7eade6790b203c [0,1,0,1,0,0|1,0,0]=3 4334 B13R1.678 C=CCOC(=O)COC1CC(C1)F e4d30f3f79209ea8114c537d4bd75af3 [0,1,0,1,0,0|1,0,0]=3 4335 B13R1.678 C=CCOC(=O)COC1CN(C1)C 7c793d1f332b036808bf992644d19e9f [0,1,0,1,0,0|2,0,0]=4 4336 B13R1.678 C=CCOC(=O)CO[C@H]1C[C@@H](C1)F ec7bdf3dc4933ae0a9fb1e33de3811b9 [0,1,0,1,0,0|1,0,0]=3 4337 B13R1.678 C=CCOC(=O)CO[C@H]1C[C@H](C1)F b23ba90753460f7f8f455fd8f8d54e1e [0,1,0,1,0,0|1,0,0]=3 4338 B13R1.685 C=CCCC(=O)N1CCCC1(C)C 5d2a3f4d36709e2183224fdbc6288a76 [0,1,0,1,0,0|2,0,0]=4 4339 B13R1.2498 C=CCCC(=O)NC[C@@H]1CC1(C)C 78f21d70bd4de94faed7be9c13e90047 [0,1,0,1,0,0|2,0,0]=4 4340 B13R1.2498 C=CCCC(=O)NC[C@H]1CC1(C)C 6f51b7e31f1a4a995396581be709d551 [0,1,0,1,0,0|2,0,0]=4 4341 B13R1.2498 C=CCNC(=O)CCN1CC1(C)C 5bb116087810875399d4bcc28a3dae83 [0,1,0,1,0,0|2,0,0]=4 4342 B13R1.2498 C=CCNC(=O)CNC1CC1(C)C 441ef6a8405cbaadf59a8942e1b210b7 [0,1,0,1,0,0|2,0,0]=4 4343 B13R1.2498 C=CCNC(=O)CN[C@@H]1CC1(C)C 0f657af2d12ae51741c38072d9d46a65 [0,1,0,1,0,0|2,0,0]=4 4344 B13R1.2498 C=CCNC(=O)CN[C@H]1CC1(C)C 17a0aa39e3ff9b265c60b27095b8eae2 [0,1,0,1,0,0|2,0,0]=4 4345 B13R1.2498 C=CCNC(=O)COC1CC1(C)C e036aaa78f67d6bdd896ff7ce2435f83 [0,1,0,1,0,0|2,0,0]=4 4346 B13R1.2498 C=CCOC(=O)CNC1CC1(C)C 3b48955e09d811323ea9f58cc3cf44e9 [0,1,0,1,0,0|1,0,0]=3 4347 B13R1.2498 C=CCOC(=O)CNC1CC1(F)F caa2c99e7bc1b27c8ef161018c03893e [0,1,0,1,0,0|2,0,0]=4 4348 B13R1.2498 C=CCOC(=O)CN[C@@H]1CC1(C)C 54207713cf6aa0e1f933b4026a02d69f [0,1,0,1,0,0|1,0,0]=3 4349 B13R1.2498 C=CCOC(=O)CN[C@H]1CC1(C)C 4b53e97b5549a03d6a3760c520c0ea62 [0,1,0,1,0,0|1,0,0]=3 4350 B13R1.2498 C=CCOC(=O)COC1CC1(F)F 5d68a8f91ea0751695872e88edc8c7c6 [0,1,0,1,0,0|2,0,0]=4 4351 B13R1.3580 C=CCNC(=O)CCNC1CC1C 51f1e7d94c9825eba0bb6d1ea4790800 [0,1,0,1,0,0|1,0,0]=3 4352 B13R1.3580 C=CCNC(=O)CCN[C@@H]1C[C@H]1F 9194d3f50da50c4802bf8658acf3a214 [0,1,0,1,0,0|2,0,0]=4 4353 B13R1.3580 C=CCNC(=O)CCN[C@H]1C[C@@H]1F bfd858ef881ec699e521b360f6cac341 [0,1,0,1,0,0|2,0,0]=4 4354 B13R1.3580 C=CCNC(=O)CCN[C@H]1C[C@H]1F ab930ba8cb63f55c178b9ce6fa8ba399 [0,1,0,1,0,0|2,0,0]=4 4355 B13R1.3580 C=CCNC(=O)COCC1CC1C 813097d6fdd585f33638763895b5ea3f [0,1,0,1,0,0|1,0,0]=3 4356 B13R1.3580 C=CCNC(=O)COC[C@@H]1C[C@@H]1C b56b6beaed92289e0bd15b926b110648 [0,1,0,1,0,0|1,0,0]=3 4357 B13R1.3580 C=CCNC(=O)COC[C@@H]1C[C@@H]1F 7470dc3eba717ea2ca5a8c667988d53e [0,1,0,1,0,0|2,0,0]=4 4358 B13R1.3580 C=CCNC(=O)COC[C@@H]1C[C@H]1C 6231d5dc8faae58241bea1bdfdb34997 [0,1,0,1,0,0|1,0,0]=3 4359 B13R1.3580 C=CCNC(=O)COC[C@@H]1C[C@H]1F 4d476bee676f339b75fe6d7e25b93386 [0,1,0,1,0,0|2,0,0]=4 4360 B13R1.3580 C=CCNC(=O)COC[C@H]1C[C@@H]1C 763c997d101ba376aeada8ec6ae1e73a [0,1,0,1,0,0|1,0,0]=3 4361 B13R1.3580 C=CCNC(=O)COC[C@H]1C[C@@H]1F 0137e722deb41d3ce370ecaba0a9cde1 [0,1,0,1,0,0|2,0,0]=4 4362 B13R1.3580 C=CCNC(=O)COC[C@H]1C[C@H]1F 33a7b4bc480329ac6162d19c79516067 [0,1,0,1,0,0|2,0,0]=4 4363 B13R1.3580 C=CCOC(=O)COCC1CC1=C 6a097547d093f456ff775d09c5813344 [0,1,0,1,0,0|0,0,2]=4 4364 B13R1.3580 C=CCOC(=O)COCC1CC1C 19a6dfb3e10905cd2ba93d7f3cda7c73 [0,1,0,1,0,0|0,0,0]=2 4365 B13R1.3580 C=CCOC(=O)COC[C@@H]1C[C@@H]1C e12f65c8cecb0e02edb321614176e625 [0,1,0,1,0,0|0,0,0]=2 4366 B13R1.3580 C=CCOC(=O)COC[C@@H]1C[C@@H]1F e167780ce218be31032365b40d9bec25 [0,1,0,1,0,0|1,0,0]=3 4367 B13R1.3580 C=CCOC(=O)COC[C@@H]1C[C@H]1C 70819e5a32af28e8d8f9e6b4dbd6cbac [0,1,0,1,0,0|0,0,0]=2 4368 B13R1.3580 C=CCOC(=O)COC[C@@H]1C[C@H]1F ac0f6e574e0bef05f2f981a742a0cc12 [0,1,0,1,0,0|1,0,0]=3 4369 B13R1.3580 C=CCOC(=O)COC[C@H]1C[C@@H]1C 4e41d1cc7f5ba8af365df16c11159196 [0,1,0,1,0,0|0,0,0]=2 4370 B13R1.3580 C=CCOC(=O)COC[C@H]1C[C@@H]1F c304df436533c7a34e2a1a95956906d9 [0,1,0,1,0,0|1,0,0]=3 4371 B13R1.3580 C=CCOC(=O)COC[C@H]1C[C@H]1F 98025c3740c0f5e29d7ced871d699514 [0,1,0,1,0,0|1,0,0]=3 4372 B13R1.3580 CCCOC(=O)COCC1CC1C 0a0b9326c1dca19d302b3b383867341e [0,1,0,1,0,0|0,0,2]=4 4373 B13R1.3580 CCCOC(=O)COC[C@@H]1C[C@@H]1C 3cb4b1fa5e89212729eabf74dd925856 [0,1,0,1,0,0|0,0,2]=4 4374 B13R1.3580 CCCOC(=O)COC[C@@H]1C[C@H]1C 6832610dbc5a280855c99f5f4ffcc5bf [0,1,0,1,0,0|0,0,2]=4 4375 B13R1.3580 CCCOC(=O)COC[C@H]1C[C@@H]1C 6a70894a30f2a8c6201053fd0a9817aa [0,1,0,1,0,0|0,0,2]=4 4376 B13R1.77 C=CCOC1CCC(CC1)CCC bd35fe533932aa4764f1212dab12d4c9 [0,1,0,1,0,0|1,0,1]=4 4377 B13R1.77 C=CCO[C@H]1CC[C@@H](CC1)CCC c45fbcd1c70e56ab270442da63d805f6 [0,1,0,1,0,0|1,0,1]=4 4378 B13R1.153 C=C/C=C/C(=O)NCC1CCCC1 97abd858101b972beef2788519fd9a06 [0,1,0,1,0,0|1,0,1]=4 4379 B13R1.153 C=C/C=C\C(=O)NCC1CCCC1 c39607fe22c3c656a876ec3201886133 [0,1,0,1,0,0|1,0,1]=4 4380 B13R1.153 C=CC=CC(=O)NCC1CCCC1 6b4ef637eff2c4491852cb5b02aa364c [0,1,0,1,0,0|1,0,1]=4 4381 B13R1.153 C=CCCC(=O)NCC1CCCC1 40328554ed16b090359354501934e84b [0,1,0,1,0,0|1,0,0]=3 4382 B13R1.153 C=CCCC(=O)NCC1CCCO1 06eb45a7731fc3d210e393f61a98644b [0,1,0,1,0,0|2,0,0]=4 4383 B13R1.153 C=CCCC(=O)NCC1CCOC1 8efdf7079c280b5eee670c8845b8e202 [0,1,0,1,0,0|2,0,0]=4 4384 B13R1.153 C=CCCC(=O)NC[C@@H]1CCCO1 9442b16ce908e4d833bda3f6876d51bf [0,1,0,1,0,0|2,0,0]=4 4385 B13R1.153 C=CCCC(=O)NC[C@@H]1CCOC1 b673bceb4c1a034bfea7624542edb48d [0,1,0,1,0,0|2,0,0]=4 4386 B13R1.153 C=CCCC(=O)NC[C@H]1CCCO1 9a2a8185febf7bb31d5061f246342192 [0,1,0,1,0,0|2,0,0]=4 4387 B13R1.153 C=CCCC(=O)NC[C@H]1CCOC1 3e0b68bda8452ef817beda385d9bd1f4 [0,1,0,1,0,0|2,0,0]=4 4388 B13R1.153 C=CCNC(=O)CCN1CCSC1 520b3a278bf6a4cf558018d4d7d15b2a [0,1,0,1,0,0|2,0,0]=4 4389 B13R1.153 C=CCNC(=O)CNC1CCCC1 c0b496614b5998955bdf470dc7966e94 [0,1,0,1,0,0|1,0,0]=3 4390 B13R1.153 C=CCNC(=O)CNC1CCOC1 5257fb1fdd41a48e6d4afa287406cf47 [0,1,0,1,0,0|2,0,0]=4 4391 B13R1.153 C=CCNC(=O)CNC1CCSC1 fc037bc076c5c4bb8ffe5757d1552b60 [0,1,0,1,0,0|2,0,0]=4 4392 B13R1.153 C=CCNC(=O)CN[C@@H]1CCOC1 6e4662fc0b166b3eb429de0bc077e4bf [0,1,0,1,0,0|2,0,0]=4 4393 B13R1.153 C=CCNC(=O)CN[C@H]1CCOC1 9f0231736eb0061d6f3e42cccbc808c2 [0,1,0,1,0,0|2,0,0]=4 4394 B13R1.153 C=CCNC(=O)COC1CCCC1 2d7a4893eee315cbc62ae685d03007ce [0,1,0,1,0,0|1,0,0]=3 4395 B13R1.153 C=CCNC(=O)COC1CCCO1 005932b9f69a8d31206b809a6a4a9912 [0,1,0,1,0,0|2,0,0]=4 4396 B13R1.153 C=CCNC(=O)COC1CCOC1 a047d3149b0592df5b14d4240317ac6a [0,1,0,1,0,0|2,0,0]=4 4397 B13R1.153 C=CCNC(=O)COC1CCSC1 870a59bed6a596f752b62f99f47caa01 [0,1,0,1,0,0|2,0,0]=4 4398 B13R1.153 C=CCNC(=O)CO[C@@H]1CCOC1 bed9a304f80ee25086acb3d594886543 [0,1,0,1,0,0|2,0,0]=4 4399 B13R1.153 C=CCNC(=O)CO[C@@H]1CCSC1 7ec6f6a1d0336310df95c8e6a0be49f0 [0,1,0,1,0,0|2,0,0]=4 4400 B13R1.153 C=CCNC(=O)CO[C@H]1CCOC1 eb68ba86a019838e098dea7e8484acfb [0,1,0,1,0,0|2,0,0]=4 4401 B13R1.153 C=CCNC(=O)CO[C@H]1CCSC1 e1d0f2f6bdd661404d8aa54d49d43dad [0,1,0,1,0,0|2,0,0]=4 4402 B13R1.153 C=CCOC(=O)CNC1CC=CC1 3d6bb23caa0bfd55089a0fc1ff350936 [0,1,0,1,0,0|0,0,2]=4 4403 B13R1.153 C=CCOC(=O)CNC1CCCC1 35aa95cd75a81d6fd53f27da8779dd24 [0,1,0,1,0,0|0,0,0]=2 4404 B13R1.153 C=CCOC(=O)CNC1CCOC1 768fd4d20e905d1499e896f456dc7dce [0,1,0,1,0,0|1,0,0]=3 4405 B13R1.153 C=CCOC(=O)CNC1CCSC1 1339d1e4e79aa703409b4b794478bd45 [0,1,0,1,0,0|1,0,0]=3 4406 B13R1.153 C=CCOC(=O)CN[C@@H]1CCOC1 bbbb04f8e5e64236d4eda7236e8e869a [0,1,0,1,0,0|1,0,0]=3 4407 B13R1.153 C=CCOC(=O)CN[C@H]1CCOC1 9da330badd6866859aa6433cafa73f68 [0,1,0,1,0,0|1,0,0]=3 4408 B13R1.153 C=CCOC(=O)COC1C=CCC1 1003abbd8a6037431119562e178d0ab7 [0,1,0,1,0,0|0,0,2]=4 4409 B13R1.153 C=CCOC(=O)COC1CC=CC1 8c8662c7bffb70b9b88b3c7e9ec6d728 [0,1,0,1,0,0|0,0,2]=4 4410 B13R1.153 C=CCOC(=O)COC1CCCC1 42510215034e27451b736d4d0a54d2f6 [0,1,0,1,0,0|0,0,0]=2 4411 B13R1.153 C=CCOC(=O)COC1CCCO1 ef754b532b9a270ea8ea2e7effe53089 [0,1,0,1,0,0|1,0,0]=3 4412 B13R1.153 C=CCOC(=O)COC1CCOC1 1b7fc2f4cd7befd9a3ff1d4d96205d64 [0,1,0,1,0,0|1,0,0]=3 4413 B13R1.153 C=CCOC(=O)COC1CCSC1 8e35e3209df44f3ac7b1948fc08d825d [0,1,0,1,0,0|1,0,0]=3 4414 B13R1.153 C=CCOC(=O)CO[C@@H]1CCOC1 d4ce969983864afc0f57302004dffb2e [0,1,0,1,0,0|1,0,0]=3 4415 B13R1.153 C=CCOC(=O)CO[C@@H]1CCSC1 cff847b9eeea3a8560b0fceadf529fe9 [0,1,0,1,0,0|1,0,0]=3 4416 B13R1.153 C=CCOC(=O)CO[C@H]1CCOC1 dec47933b6672d32abf019373ea06efd [0,1,0,1,0,0|1,0,0]=3 4417 B13R1.153 C=CCOC(=O)CO[C@H]1CCSC1 550aa86228c032afd0d59606f8d2bd13 [0,1,0,1,0,0|1,0,0]=3 4418 B13R1.153 CCCOC(=O)CNC1CCCC1 25082dc1b75390395cc434b248d8e530 [0,1,0,1,0,0|0,0,2]=4 4419 B13R1.153 CCCOC(=O)COC1CCCC1 ff1b187c8b438243fc698bc1b697fc3c [0,1,0,1,0,0|0,0,2]=4 4420 B13R1.153 O=CCCC(=O)NCC1CCCC1 be4ff0d75687a09ca927c8140da38196 [0,1,0,1,0,0|2,0,0]=4 4421 B13R1.384 C=CCN1CC(CCC1=O)OCC 3720b34c70cb32a786e3a4d7eb797663 [0,1,0,1,0,0|2,0,0]=4 4422 B13R1.675 C=CCCC(=O)NCC1CC1CO 7f41841e84bd6418209a653da9db18fc [0,1,0,1,0,0|2,0,0]=4 4423 B13R1.675 C=CCNC(=O)CN[C@@H]1C[C@@H]1OC 23d49cd45c9eaf50af57e4f2efe82cb8 [0,1,0,1,0,0|2,0,0]=4 4424 B13R1.675 C=CCNC(=O)CN[C@@H]1C[C@H]1CO afa6651d588271e7203092a318b0f5d7 [0,1,0,1,0,0|2,0,0]=4 4425 B13R1.675 C=CCNC(=O)CN[C@H]1C[C@@H]1CO 68716fee0a0ac092f526da8a52a6d8d7 [0,1,0,1,0,0|2,0,0]=4 4426 B13R1.675 C=CCNC(=O)CN[C@H]1C[C@H]1CO b151ff12bf1a65589a5c32a04d1a8f83 [0,1,0,1,0,0|2,0,0]=4 4427 B13R1.675 C=CCOC(=O)CN[C@@H]1C[C@@H]1OC 224bfa29052e76c3bc834fff1626f7bb [0,1,0,1,0,0|1,0,0]=3 4428 B13R1.675 C=CCOC(=O)CN[C@@H]1C[C@H]1CO a835098ed1647ec3a411dd003e9d419c [0,1,0,1,0,0|1,0,0]=3 4429 B13R1.675 C=CCOC(=O)CN[C@H]1C[C@@H]1CO fbbdf3edc737eda238ac3fdb682a02ae [0,1,0,1,0,0|1,0,0]=3 4430 B13R1.675 C=CCOC(=O)CN[C@H]1C[C@H]1CO 9ef064788f7eb639c12394bc20222a2c [0,1,0,1,0,0|1,0,0]=3 4431 B13R1.680 C=CCCC(=O)N1C[C@@H](C[C@@H]1C)F d1f91784ff274d9575172ece4ca16ab0 [0,1,0,1,0,0|2,0,0]=4 4432 B13R1.680 C=CCCC(=O)N1C[C@@H](C[C@@H]1C)O 7b1bda31a8fe4fa9025df0cd768477e6 [0,1,0,1,0,0|2,0,0]=4 4433 B13R1.680 C=CCCC(=O)N1C[C@@H](C[C@H]1C)F 627fbca9bcc8e9db3acd975ab90b6b23 [0,1,0,1,0,0|2,0,0]=4 4434 B13R1.680 C=CCCC(=O)N1C[C@@H](C[C@H]1C)O 3e21f3c00f797b62ae5fa745ab165ef1 [0,1,0,1,0,0|2,0,0]=4 4435 B13R1.680 C=CCCC(=O)N1C[C@H](C[C@@H]1C)F 934f83df4b429453800698b69b8d6e11 [0,1,0,1,0,0|2,0,0]=4 4436 B13R1.680 C=CCCC(=O)N1C[C@H](C[C@@H]1C)O a32862e1770140b4c1b26e75a4d2a240 [0,1,0,1,0,0|2,0,0]=4 4437 B13R1.680 C=CCCC(=O)N1C[C@H](C[C@H]1C)F c9fd26b08f2725bca5886a8f22cd8b36 [0,1,0,1,0,0|2,0,0]=4 4438 B13R1.680 C=CCCC(=O)N1C[C@H](C[C@H]1C)O 7f98ef856e25b8edf242a703fd8f9987 [0,1,0,1,0,0|2,0,0]=4 4439 B13R1.686 C=CCCC(=O)NC1CCCC1O baa51479e7120c290576639312b0e850 [0,1,0,1,0,0|2,0,0]=4 4440 B13R1.686 C=CCCC(=O)N[C@@H]1CCC[C@@H]1O 1223bd8f0d33ce2ef0b80517358435bc [0,1,0,1,0,0|2,0,0]=4 4441 B13R1.686 C=CCCC(=O)N[C@@H]1CCC[C@H]1O a1df5d780db4f770b64bc8fbeb9f7049 [0,1,0,1,0,0|2,0,0]=4 4442 B13R1.686 C=CCCC(=O)N[C@H]1CCC[C@@H]1O 81f7b02421e040f79dbdd438d49c81f8 [0,1,0,1,0,0|2,0,0]=4 4443 B13R1.686 C=CCCC(=O)N[C@H]1CCC[C@H]1O b0a094ff05c5db1c2e33c549c651d873 [0,1,0,1,0,0|2,0,0]=4 4444 B13R1.686 C=CCNC(=O)CN1CCCC1C ced9d6e08b203c0d677f9e61c822a8c2 [0,1,0,1,0,0|1,0,0]=3 4445 B13R1.686 C=CCNC(=O)CN1CCCC1O bb9823b87d6f89049fec68317db6cbc2 [0,1,0,1,0,0|2,0,0]=4 4446 B13R1.686 C=CCNC(=O)CN1CCC[C@@H]1C fa3cb8f657cc1f13a460b025eded77c7 [0,1,0,1,0,0|1,0,0]=3 4447 B13R1.686 C=CCNC(=O)CN1CCC[C@H]1C 237eb84a87af219bdcbc98661cbbcb12 [0,1,0,1,0,0|1,0,0]=3 4448 B13R1.686 C=CCNC(=O)CN1CCSC1C 166ce662c53fe923490345047e832696 [0,1,0,1,0,0|2,0,0]=4 4449 B13R1.686 C=CCOC(=O)CN1CCCC1C 1905cf2e214f19a18f07c01802b3c006 [0,1,0,1,0,0|0,0,0]=2 4450 B13R1.686 C=CCOC(=O)CN1CCCC1O 65b8861a7a14f3b3189efa7abd110092 [0,1,0,1,0,0|1,0,0]=3 4451 B13R1.686 C=CCOC(=O)CN1CCC[C@@H]1C a0a6267272bb70f28f2e15cf971d84bc [0,1,0,1,0,0|0,0,0]=2 4452 B13R1.686 C=CCOC(=O)CN1CCC[C@H]1C 0c0dd4b0b9a9a77fdf8e3b23cd767868 [0,1,0,1,0,0|0,0,0]=2 4453 B13R1.686 C=CCOC(=O)CN1CCSC1C 4aefe35c931eca0fcfd1965bb85897b1 [0,1,0,1,0,0|1,0,0]=3 4454 B13R1.686 CCCOC(=O)CN1CCCC1C 7af7ea9afd9ed676673245512295f975 [0,1,0,1,0,0|0,0,2]=4 4455 B13R1.686 CCCOC(=O)CN1CCC[C@@H]1C 3eac6a50bb77b15bfedfafa8476a27f9 [0,1,0,1,0,0|0,0,2]=4 4456 B13R1.686 CCCOC(=O)CN1CCC[C@H]1C 7fb44a39e46bc51eb8b751066059bff8 [0,1,0,1,0,0|0,0,2]=4 4457 B13R1.1309 C=CCCC(=O)NCC(O)C1CC1 5d717dacd1d0ef98327248a4dc5e39b1 [0,1,0,1,0,0|2,0,0]=4 4458 B13R1.1309 C=CCNC(=O)CCN(C)C1CC1 d816e8c1a2ecb1965f51c79626a19e7d [0,1,0,1,0,0|2,0,0]=4 4459 B13R1.1309 C=CCNC(=O)CN[C@@H](C)C1CC1 138bf26358925b9dfc5570a081daa616 [0,1,0,1,0,0|2,0,0]=4 4460 B13R1.1309 C=CCNC(=O)CN[C@H](C)C1CC1 724ac648d52209de92725fb102a5b99b [0,1,0,1,0,0|2,0,0]=4 4461 B13R1.1309 C=CCNC(=O)COC(C)C1CC1 a487c80748fbb178114b150f1cefb380 [0,1,0,1,0,0|2,0,0]=4 4462 B13R1.1309 C=CCNC(=O)CO[C@@H](C)C1CC1 2d5201ee88bb252f1f1133f36822c6f3 [0,1,0,1,0,0|2,0,0]=4 4463 B13R1.1309 C=CCNC(=O)CO[C@H](C)C1CC1 9b5bfcc994e791095f0d5028e0968a82 [0,1,0,1,0,0|2,0,0]=4 4464 B13R1.1309 C=CCOC(=O)CN[C@@H](C)C1CC1 7b843d5f8ccca4f56c27cdec80167d29 [0,1,0,1,0,0|1,0,0]=3 4465 B13R1.1309 C=CCOC(=O)CN[C@H](C)C1CC1 1d093865841da85fb31cfc99d0ab7325 [0,1,0,1,0,0|1,0,0]=3 4466 B13R1.1309 C=CCOC(=O)COC(C)C1CC1 751a5cb70b93e8ea794077b1b917a278 [0,1,0,1,0,0|1,0,0]=3 4467 B13R1.1309 C=CCOC(=O)CO[C@@H](C)C1CC1 cc803b57c2a9c6304bd8dbc89b82fc13 [0,1,0,1,0,0|1,0,0]=3 4468 B13R1.1309 C=CCOC(=O)CO[C@H](C)C1CC1 bcb1a8f2ce48c5229b2975289dafe49f [0,1,0,1,0,0|1,0,0]=3 4469 B13R1.2493 C=CCCC(=O)N1CC(C1)CCC fd13e0e547ee491136d2224ab4d1de11 [0,1,0,1,0,0|2,0,0]=4 4470 B13R1.2499 C=CCCC(=O)NCC1(CCC1)O d96ffe5a1320fba825558bd15c00c96c [0,1,0,1,0,0|2,0,0]=4 4471 B13R1.2499 C=CCNC(=O)CNC1(CCC1)C 1cc1e558d6db9e0f84da3240c1494447 [0,1,0,1,0,0|2,0,0]=4 4472 B13R1.2499 C=CCOC(=O)CNC1(CCC1)C f5b2c5e0853e0c17928c2e3ed1c1c4f1 [0,1,0,1,0,0|1,0,0]=3 4473 B13R1.2499 C=CCOC(=O)CNC1(COC1)C 0070a3f252e6e9bc19a6963bf2018c37 [0,1,0,1,0,0|2,0,0]=4 4474 B13R1.2499 C=CCOC(=O)CNC1(CSC1)C f19979a9ceef9645b35fdffaaba2f2ea [0,1,0,1,0,0|2,0,0]=4 4475 B13R1.3581 C=CCCC(=O)N[C@H]1C[C@@H]1COC 0fcdc73a3bdfa8861d98be85a635e79e [0,1,0,1,0,0|2,0,0]=4 4476 B13R1.3581 C=CCCC(=O)N[C@H]1C[C@H]1COC fff5af7dc407dd0e794f9977dff86eb9 [0,1,0,1,0,0|2,0,0]=4 4477 B13R1.5494 C=CCNC(=O)CN1C(CC1C)C f14031f6fb26444c3da6586a57bb21b7 [0,1,0,1,0,0|2,0,0]=4 4478 B13R1.5494 C=CCNC(=O)CN1[C@@H](C[C@@H]1C)C 2f80f2f681348e7e3bde04a5b07f7c84 [0,1,0,1,0,0|2,0,0]=4 4479 B13R1.5494 C=CCNC(=O)CN1[C@@H](C[C@H]1C)C 9544d2c1e5d071bee2fba44702bb1558 [0,1,0,1,0,0|2,0,0]=4 4480 B13R1.5494 C=CCNC(=O)CN1[C@H](C[C@@H]1C)C ba7c60341aa057051e527b8ae726d68b [0,1,0,1,0,0|2,0,0]=4 4481 B13R1.5494 C=CCOC(=O)CN1C(CC1C)C 532284b979a09426179450cd4b679f0d [0,1,0,1,0,0|1,0,0]=3 4482 B13R1.5494 C=CCOC(=O)CN1[C@@H](C[C@@H]1C)C 045e7bb30be189d455806aa105ad3f1d [0,1,0,1,0,0|1,0,0]=3 4483 B13R1.5494 C=CCOC(=O)CN1[C@@H](C[C@H]1C)C 2b87a5bde41b28bbabee4dac17a1fe1d [0,1,0,1,0,0|1,0,0]=3 4484 B13R1.5494 C=CCOC(=O)CN1[C@H](C[C@@H]1C)C 396837319ca801d62c745aea9aff3438 [0,1,0,1,0,0|1,0,0]=3 4485 B13R1.17 C=CCCC(=O)N1CCC(CC1)C 22c010c9d5b08218dd62af1fab57dd54 [0,1,0,1,0,0|2,0,0]=4 4486 B13R1.17 C=CCCC(=O)N1CCC(CC1)Cl c7fc07e46cbec8fcf7d59a87965ed030 [0,1,0,1,0,0|2,0,0]=4 4487 B13R1.17 C=CCCC(=O)N1CCC(CC1)F 1eebcff1cc3e34b039970cf997970681 [0,1,0,1,0,0|2,0,0]=4 4488 B13R1.17 C=CCCC(=O)N1CCC(CC1)I f1d34db1b4194e04dbbdfe9f7bdff2fb [0,1,0,1,0,0|2,0,0]=4 4489 B13R1.17 C=CCCC(=O)N1CCC(CC1)O c0453a91c87ff202b7ddf9910e918910 [0,1,0,1,0,0|2,0,0]=4 4490 B13R1.677 C=CCCC(=O)NCC1CCN1C 2d7d9eacf09bd47469ed0b9e2f12f444 [0,1,0,1,0,0|2,0,0]=4 4491 B13R1.677 C=CCNC(=O)CNC1CCC1F f6ab45579e7cf0af36d012a187042de6 [0,1,0,1,0,0|2,0,0]=4 4492 B13R1.677 C=CCNC(=O)CNC1CCC1O c8a6cc03d2354fac066c4878e7796637 [0,1,0,1,0,0|2,0,0]=4 4493 B13R1.677 C=CCNC(=O)CNC1COC1C d9cabd716acf68cc5664d90a4b59a3de [0,1,0,1,0,0|2,0,0]=4 4494 B13R1.677 C=CCNC(=O)CN[C@@H]1CC[C@@H]1O 4be2e0a157831e31dcfb881bc985cdc6 [0,1,0,1,0,0|2,0,0]=4 4495 B13R1.677 C=CCNC(=O)CN[C@@H]1CC[C@H]1C 73f974c4a3a5582df424ddcd67564308 [0,1,0,1,0,0|1,0,0]=3 4496 B13R1.677 C=CCNC(=O)CN[C@@H]1CC[C@H]1O f9c29668681c83551978a84e72e5ede9 [0,1,0,1,0,0|2,0,0]=4 4497 B13R1.677 C=CCNC(=O)CN[C@H]1CC[C@@H]1O 29da6cc27f6d1e1db8609b5f7edac2bb [0,1,0,1,0,0|2,0,0]=4 4498 B13R1.677 C=CCNC(=O)CN[C@H]1CC[C@H]1C 42850e62b00f42e7a4746febd2da6dbd [0,1,0,1,0,0|1,0,0]=3 4499 B13R1.677 C=CCNC(=O)CN[C@H]1CC[C@H]1O 6695c0cf04fbad043ab3cacaa6b48d2d [0,1,0,1,0,0|2,0,0]=4 4500 B13R1.677 C=CCNC(=O)COC1COC1C 9765cf44e23012e2105e6af9eb3014ca [0,1,0,1,0,0|2,0,0]=4 4501 B13R1.677 C=CCOC(=O)CNC1CCC1F a6c61ace3d1b68fa4ec723928816c64d [0,1,0,1,0,0|1,0,0]=3 4502 B13R1.677 C=CCOC(=O)CNC1CCC1O 68aec817d31fcb6ec8ba6b08b7e87240 [0,1,0,1,0,0|1,0,0]=3 4503 B13R1.677 C=CCOC(=O)CNC1COC1C 4faa62f02332231b878ae42b65b77e0c [0,1,0,1,0,0|1,0,0]=3 4504 B13R1.677 C=CCOC(=O)CN[C@@H]1CC[C@@H]1O e8898cd0cb1ae131ae58bef681f469e4 [0,1,0,1,0,0|1,0,0]=3 4505 B13R1.677 C=CCOC(=O)CN[C@@H]1CC[C@H]1C f09aa4d024a6a67a043a8772a2e520a5 [0,1,0,1,0,0|0,0,0]=2 4506 B13R1.677 C=CCOC(=O)CN[C@@H]1CC[C@H]1O 8ce8d6be12e7223ef9257e390a4be1fa [0,1,0,1,0,0|1,0,0]=3 4507 B13R1.677 C=CCOC(=O)CN[C@H]1CC[C@@H]1O 0b83495afd047f4c2240ba43a2610a7f [0,1,0,1,0,0|1,0,0]=3 4508 B13R1.677 C=CCOC(=O)CN[C@H]1CC[C@H]1C 3331c1bbbe79074fb0c55d7ff3f8f56b [0,1,0,1,0,0|0,0,0]=2 4509 B13R1.677 C=CCOC(=O)CN[C@H]1CC[C@H]1O c11a7e807f358c1458751622850b6d0e [0,1,0,1,0,0|1,0,0]=3 4510 B13R1.677 C=CCOC(=O)COC1CCC1=O 782306dd1459653d28e5733ac71db6bd [0,1,0,1,0,0|1,0,1]=4 4511 B13R1.677 C=CCOC(=O)COC1COC1C 3688e36e1926609486e197b050b76bd4 [0,1,0,1,0,0|1,0,0]=3 4512 B13R1.677 CCCOC(=O)CN[C@@H]1CC[C@H]1C 95252c706281a0b2f6eec3de7c57b12f [0,1,0,1,0,0|0,0,2]=4 4513 B13R1.677 CCCOC(=O)CN[C@H]1CC[C@H]1C 314c4f1a8d708bb263e9d9934e713589 [0,1,0,1,0,0|0,0,2]=4 4514 B13R1.679 C=CCCC(=O)N1CCC(C1)CC 8f1218027e7c7eb7f0f43e5421441b87 [0,1,0,1,0,0|2,0,0]=4 4515 B13R1.683 C=C/C=C/C(=O)NCCC1CCC1 f82d9f77e7342bda1fde4f96207de62a [0,1,0,1,0,0|1,0,1]=4 4516 B13R1.683 C=C/C=C\C(=O)NCCC1CCC1 93c8c7bf94af214fe13fe3bfa63a8fd7 [0,1,0,1,0,0|1,0,1]=4 4517 B13R1.683 C=CC=CC(=O)NCCC1CCC1 5a539281167c65691946f59fc8b1ac5f [0,1,0,1,0,0|1,0,1]=4 4518 B13R1.683 C=CCCC(=O)NCCC1CCC1 6b0a6413157e751ab6922bb71f622b47 [0,1,0,1,0,0|1,0,0]=3 4519 B13R1.683 C=CCCC(=O)NCCC1CCO1 6a778a411ffee0fd2bc8e3fd7a5663f8 [0,1,0,1,0,0|2,0,0]=4 4520 B13R1.683 C=CCCC(=O)NCCC1COC1 14adcd05155d1ef0560dfbafffb845cb [0,1,0,1,0,0|2,0,0]=4 4521 B13R1.683 C=CCCC(=O)NCCN1CCC1 cb6c2821ea77909228e4492a46d8dfd0 [0,1,0,1,0,0|2,0,0]=4 4522 B13R1.683 C=CCCC(=O)NCC[C@@H]1CCO1 9d99193f8abdc0738708cc09a4bf7b37 [0,1,0,1,0,0|2,0,0]=4 4523 B13R1.683 C=CCNC(=O)CCNC1CCC1 f3e1ba1afacad738a9cbbb8f83b77061 [0,1,0,1,0,0|1,0,0]=3 4524 B13R1.683 C=CCNC(=O)CCNC1COC1 3cfb7c04e4f2664e0014734db9ee53b5 [0,1,0,1,0,0|2,0,0]=4 4525 B13R1.683 C=CCNC(=O)CCOC1CCC1 3a7a36a405b5873b632e9fcc2f10268f [0,1,0,1,0,0|1,0,0]=3 4526 B13R1.683 C=CCNC(=O)CCOC1COC1 dfd9d6c01a3681bcff59bc6ac91f7680 [0,1,0,1,0,0|2,0,0]=4 4527 B13R1.683 C=CCNC(=O)CCOC1CSC1 9ecc6cf6b523962faebaf82ecdd7b39f [0,1,0,1,0,0|2,0,0]=4 4528 B13R1.683 C=CCNC(=O)CNCC1CCC1 a14bfae2a9aa18098b149937206422c6 [0,1,0,1,0,0|1,0,0]=3 4529 B13R1.683 C=CCNC(=O)CNCC1CCO1 e0fc6d25f9dd1139285b4645c5ced38c [0,1,0,1,0,0|2,0,0]=4 4530 B13R1.683 C=CCNC(=O)CNCC1COC1 ccbedc67afedd20628c186a90e3dcc9c [0,1,0,1,0,0|2,0,0]=4 4531 B13R1.683 C=CCNC(=O)CNC[C@@H]1CCO1 21f1968047bb3bbb98e48cbd2d84ec6b [0,1,0,1,0,0|2,0,0]=4 4532 B13R1.683 C=CCNC(=O)CNC[C@H]1CCO1 55ab447af3fd232e0d051ade5645fe07 [0,1,0,1,0,0|2,0,0]=4 4533 B13R1.683 C=CCNC(=O)COCC1CCC1 0b155b614a22bdf6114589b38c16483c [0,1,0,1,0,0|1,0,0]=3 4534 B13R1.683 C=CCNC(=O)COCC1CCO1 3678108b20ee8dcb59337c5a7e01a00f [0,1,0,1,0,0|2,0,0]=4 4535 B13R1.683 C=CCNC(=O)COCC1COC1 b4c7a2d10a8f7a7cef467d4b5d71eeae [0,1,0,1,0,0|2,0,0]=4 4536 B13R1.683 C=CCNC(=O)COCC1CSC1 4bd10c681c3c94e5bd895e1a4348ffc8 [0,1,0,1,0,0|2,0,0]=4 4537 B13R1.683 C=CCNC(=O)COC[C@@H]1CCO1 8c310ff33eff7a80de43ea8b2e003072 [0,1,0,1,0,0|2,0,0]=4 4538 B13R1.683 C=CCNC(=O)COC[C@H]1CCO1 ee08dcf135d8e16b1f8f037e39ff908d [0,1,0,1,0,0|2,0,0]=4 4539 B13R1.683 C=CCOC(=O)CCCN1CCC1 67a834f1c95a24103b321215302fbefb [0,1,0,1,0,0|0,0,0]=2 4540 B13R1.683 C=CCOC(=O)CNCC1CCC1 d9992c3c44aa6e5ba4277870c64daa61 [0,1,0,1,0,0|0,0,0]=2 4541 B13R1.683 C=CCOC(=O)CNCC1CCO1 142680db4920352ce03166207bc98c24 [0,1,0,1,0,0|1,0,0]=3 4542 B13R1.683 C=CCOC(=O)CNCC1COC1 3f0a8b78e88d98baceb30cf120162bb3 [0,1,0,1,0,0|1,0,0]=3 4543 B13R1.683 C=CCOC(=O)CNC[C@@H]1CCO1 eaeff6eb2b7d032cdcf4505cf6aadd62 [0,1,0,1,0,0|1,0,0]=3 4544 B13R1.683 C=CCOC(=O)CNC[C@H]1CCO1 04836bb631604bd80f7bca334df774f0 [0,1,0,1,0,0|1,0,0]=3 4545 B13R1.683 C=CCOC(=O)COCC1CCC1 0fdf7c2365471af8cf2992b174f77696 [0,1,0,1,0,0|0,0,0]=2 4546 B13R1.683 C=CCOC(=O)COCC1CCO1 bc94a64e761b2c1b4ce49ba0d6490a43 [0,1,0,1,0,0|1,0,0]=3 4547 B13R1.683 C=CCOC(=O)COCC1COC1 34200fb0eeb951cc7440e66910e37146 [0,1,0,1,0,0|1,0,0]=3 4548 B13R1.683 C=CCOC(=O)COCC1CSC1 cfcd64bed34acf8b6ca54a5fe7fd5cc1 [0,1,0,1,0,0|1,0,0]=3 4549 B13R1.683 C=CCOC(=O)COC[C@@H]1CCO1 511655eb1216f845df131739f4889c99 [0,1,0,1,0,0|1,0,0]=3 4550 B13R1.683 C=CCOC(=O)COC[C@H]1CCO1 211d3388a746f97c4aa606e9415a4bef [0,1,0,1,0,0|1,0,0]=3 4551 B13R1.683 CCCOC(=O)CCOC1CCC1 5381339ad2207f7db2ee801d90bfebe7 [0,1,0,1,0,0|0,0,2]=4 4552 B13R1.683 CCCOC(=O)CNCC1CCC1 60e0f2fb4cf0d65309f6cf86a4503e51 [0,1,0,1,0,0|0,0,2]=4 4553 B13R1.683 CCCOC(=O)COCC1CCC1 0ea63f45fbff406d1fafaf1a03957881 [0,1,0,1,0,0|0,0,2]=4 4554 B13R1.683 O=CCCC(=O)NCCC1CCC1 08015ba92e22e3ee9344a59bcfc2208b [0,1,0,1,0,0|2,0,0]=4 4555 B13R1.2505 C=CCCC(=O)N1CCC(C1C)O e94cd49057cc2b0acb5b098bb4fce076 [0,1,0,1,0,0|2,0,0]=4 4556 B13R1.2505 C=CCCC(=O)N1CC[C@@H]([C@@H]1C)O e52b7714bee3da5b57116f61b58cb78f [0,1,0,1,0,0|2,0,0]=4 4557 B13R1.2505 C=CCCC(=O)N1CC[C@H]([C@H]1C)O af71d86ee17b233c375c0784228fbf5c [0,1,0,1,0,0|2,0,0]=4 4558 B13R1.2550 C=CCNC(=O)CN1CC(C1)CC b8c9f42018aa8da5c93eacd6b82035df [0,1,0,1,0,0|2,0,0]=4 4559 B13R1.2550 C=CCOC(=O)CN1CC(C1)CC eec038b6723c0b29f5c88a81166bd322 [0,1,0,1,0,0|1,0,0]=3 4560 B13R1.2550 C=CCOC(=O)CN1CC(C1)CF 16ec4673fd99d8be8ec4559d17c8fc93 [0,1,0,1,0,0|2,0,0]=4 4561 B13R1.2550 C=CCOC(=O)CN1CC(C1)CO 2f559f2ef7321c36b79de45462ea1671 [0,1,0,1,0,0|2,0,0]=4 4562 B13R1.2550 C=CCOC(=O)CN1CC(C1)OC d2de3f9b58a0164486dbce5ae2ccfed7 [0,1,0,1,0,0|2,0,0]=4 4563 B13R1.2550 C=CCOC(=O)CN1CC(C1)SC 716c5abca88ecd9f21a66339d4d526e4 [0,1,0,1,0,0|2,0,0]=4 4564 B13R1.3603 C=CCCC(=O)NCCC1(CC1)O a832e0160db7871d777e07d463daad42 [0,1,0,1,0,0|2,0,0]=4 4565 B13R1.3603 C=CCNC(=O)CCNC1(CC1)C 9f2f2f6f95c190b750613ddcb4e89fb1 [0,1,0,1,0,0|2,0,0]=4 4566 B13R1.3603 C=CCNC(=O)CNCC1(CC1)F ba58b78952739ac48abb33f10de4ddd5 [0,1,0,1,0,0|2,0,0]=4 4567 B13R1.3603 C=CCNC(=O)CNCC1(CC1)O 012390226f93e7f845fc500f341eb253 [0,1,0,1,0,0|2,0,0]=4 4568 B13R1.3603 C=CCNC(=O)COCC1(CC1)Br e6a89234d9f784bf4649be74aed8d1b0 [0,1,0,1,0,0|2,0,0]=4 4569 B13R1.3603 C=CCNC(=O)COCC1(CC1)C e73b2c3f895aa628d44de45c93b3930d [0,1,0,1,0,0|2,0,0]=4 4570 B13R1.3603 C=CCNC(=O)COCC1(CC1)Cl 50e2d8e90057a69b07dd8638bef1bd5c [0,1,0,1,0,0|2,0,0]=4 4571 B13R1.3603 C=CCNC(=O)COCC1(CC1)F c25b3161f3b0aa0f74dbfdf82c2a9a1f [0,1,0,1,0,0|2,0,0]=4 4572 B13R1.3603 C=CCOC(=O)CNCC1(CC1)F 442235d7d46787f57c068d4eed71f5b4 [0,1,0,1,0,0|1,0,0]=3 4573 B13R1.3603 C=CCOC(=O)CNCC1(CC1)O d11dd8638602d0f4ef1f0793ed971680 [0,1,0,1,0,0|1,0,0]=3 4574 B13R1.3603 C=CCOC(=O)COCC1(CC1)Br ae273a0339f172dfc783c913499403ac [0,1,0,1,0,0|1,0,0]=3 4575 B13R1.3603 C=CCOC(=O)COCC1(CC1)C 3db6b3f49ca16563fe0db4e9fd297074 [0,1,0,1,0,0|1,0,0]=3 4576 B13R1.3603 C=CCOC(=O)COCC1(CC1)Cl 51a134355f99da5ad96acc80ecf1630d [0,1,0,1,0,0|1,0,0]=3 4577 B13R1.3603 C=CCOC(=O)COCC1(CC1)F e4933f48a0d69bedd3184a2444b5e8cf [0,1,0,1,0,0|1,0,0]=3 4578 B13R1.44 C=CCCC(=O)NC1CCCOC1 beec1dfe06bf7e58e31e1d53279eaf91 [0,1,0,1,0,0|2,0,0]=4 4579 B13R1.44 C=CCCC(=O)NC1CCOCC1 e95e8850c6d1377482cbb02eff5ad8f9 [0,1,0,1,0,0|2,0,0]=4 4580 B13R1.44 C=CCCC(=O)NC1CCSCC1 3aed38b4b954184a0d9e5b0aec838dd0 [0,1,0,1,0,0|2,0,0]=4 4581 B13R1.44 C=CCCC(=O)N[C@@H]1CCCOC1 7a9efe834e86004b6f0a721705bf87b5 [0,1,0,1,0,0|2,0,0]=4 4582 B13R1.44 C=CCCC(=O)N[C@H]1CCCOC1 76812306e121de097b39346982823247 [0,1,0,1,0,0|2,0,0]=4 4583 B13R1.44 C=CCNC(=O)CN1CCCOC1 97de14fffb009c3a8809092851054721 [0,1,0,1,0,0|2,0,0]=4 4584 B13R1.44 C=CCNC(=O)CN1CCCSC1 4e90f80c8243a842053ca4fc04b9908e [0,1,0,1,0,0|2,0,0]=4 4585 B13R1.44 C=CCNC(=O)CN1CCOCC1 27e2c240325b9a47e4a95293a9a86d36 [0,1,0,1,0,0|2,0,0]=4 4586 B13R1.44 C=CCNC(=O)CN1CCSCC1 bfa3695bc317b3c8191393ce7c577050 [0,1,0,1,0,0|2,0,0]=4 4587 B13R1.44 C=CCOC(=O)CN1CC=CCC1 a826ba7a3f9b5055263732bb0aac94ef [0,1,0,1,0,0|0,0,2]=4 4588 B13R1.44 C=CCOC(=O)CN1CCCOC1 b1775509101cc2054e7b21c53b579717 [0,1,0,1,0,0|1,0,0]=3 4589 B13R1.44 C=CCOC(=O)CN1CCCSC1 32419618c9b4802fd02ad03f2156aab1 [0,1,0,1,0,0|1,0,0]=3 4590 B13R1.44 C=CCOC(=O)CN1CCOCC1 cef7750ef6e57dfeeabdbfa86c6bd44a [0,1,0,1,0,0|1,0,0]=3 4591 B13R1.44 C=CCOC(=O)CN1CCSCC1 36961ed8c07039342c04f5e2d42da15a [0,1,0,1,0,0|1,0,0]=3 4592 B13R1.44 C=CCOC(C)CN1CCCCC1 5b5dfb0b1cc7db69b89e587c7c0926fb [0,1,0,1,0,0|1,0,1]=4 4593 B13R1.674 C=C/C=C/C(=O)N1CCCCC1C ce4d282947d228a537ffaef2f3ec4243 [0,1,0,1,0,0|1,0,1]=4 4594 B13R1.674 C=C/C=C/C(=O)N1CCCC[C@@H]1C e4c07b32e40979c6cd81b7cc9e1ded1e [0,1,0,1,0,0|1,0,1]=4 4595 B13R1.674 C=C/C=C/C(=O)N1CCCC[C@H]1C 416f94ed2a19577c4428288e502a3b42 [0,1,0,1,0,0|1,0,1]=4 4596 B13R1.674 C=C/C=C\C(=O)N1CCCCC1C e5cb1b4f5f470fe15187173c28c76014 [0,1,0,1,0,0|1,0,1]=4 4597 B13R1.674 C=C/C=C\C(=O)N1CCCC[C@@H]1C 38c8a81cf2cb8dd4370e5bfa49f1f3f8 [0,1,0,1,0,0|1,0,1]=4 4598 B13R1.674 C=C/C=C\C(=O)N1CCCC[C@H]1C 5db4592e775527041c0e9817b9f84a49 [0,1,0,1,0,0|1,0,1]=4 4599 B13R1.674 C=CC=CC(=O)N1CCCCC1C 6893e84e32db67c575a06ad2c142d582 [0,1,0,1,0,0|1,0,1]=4 4600 B13R1.674 C=CC=CC(=O)N1CCCC[C@@H]1C 2da523269a2a1ef9066859c4b9154059 [0,1,0,1,0,0|1,0,1]=4 4601 B13R1.674 C=CC=CC(=O)N1CCCC[C@H]1C 508db12bad0b518c59cd51f233f59b26 [0,1,0,1,0,0|1,0,1]=4 4602 B13R1.674 C=CCCC(=O)N1CCCCC1C 906b966d8ae6f2af55a203f85570810c [0,1,0,1,0,0|1,0,0]=3 4603 B13R1.674 C=CCCC(=O)N1CCCC[C@@H]1C c63807566a94444ad908ec6ff898853e [0,1,0,1,0,0|1,0,0]=3 4604 B13R1.674 C=CCCC(=O)N1CCCC[C@H]1C 0420a3911dac8fb0391e81a97019120b [0,1,0,1,0,0|1,0,0]=3 4605 B13R1.674 C=CCCC(=O)N1CCOCC1C d09b8be5ac2126476d3ffe1e78e0215b [0,1,0,1,0,0|2,0,0]=4 4606 B13R1.674 C=CCCC(=O)N1CCOC[C@@H]1C 3f822828ff03d843facdf9bf2e0e1bbe [0,1,0,1,0,0|2,0,0]=4 4607 B13R1.674 C=CCCC(=O)N1CCOC[C@H]1C b46c7788a462bd9233ebcba9764db6f0 [0,1,0,1,0,0|2,0,0]=4 4608 B13R1.674 CC1CCCCN1C(=O)CCC=O 16c8df6a83e9cf5fd04af2186f05ceab [0,1,0,1,0,0|2,0,0]=4 4609 B13R1.674 C[C@@H]1CCCCN1C(=O)CCC=O 46f00856b57c9fb035104122a0608e39 [0,1,0,1,0,0|2,0,0]=4 4610 B13R1.674 C[C@H]1CCCCN1C(=O)CCC=O ed508d50c0c1a91ce655609c5cb95d7b [0,1,0,1,0,0|2,0,0]=4 4611 B13R1.2515 C=CCCC(=O)N1C(CCC1C)C ba2236c66f16a6625caba3f93e715d6f [0,1,0,1,0,0|2,0,0]=4 4612 B13R1.2515 C=CCCC(=O)N1[C@@H](CC[C@@H]1C)C 6943b310eae411aa2c010fa9310a0f49 [0,1,0,1,0,0|2,0,0]=4 4613 B13R1.2515 C=CCCC(=O)N1[C@@H](CC[C@H]1C)C edf922a4fb244d3d42f7eb25e7c28f60 [0,1,0,1,0,0|2,0,0]=4 4614 B13R1.2515 C=CCCC(=O)N1[C@H](CC[C@@H]1C)C ccddd307387901cda0d8711e9f5146cf [0,1,0,1,0,0|2,0,0]=4 4615 B13R1.2547 C=CCCC(=O)NC1(CCCC1)C 48ab377a847c7b906d4b5d74bd4c8567 [0,1,0,1,0,0|2,0,0]=4 4616 B13R1.3432 C=CCNC(=O)CN(C)C1CCC1 05868464683559d7d82594c68812465a [0,1,0,1,0,0|2,0,0]=4 4617 B13R1.3432 C=CCOC(=O)CN(C)C1CCC1 b658987bd18ab35d65b4ab7500111d9d [0,1,0,1,0,0|1,0,0]=3 4618 B13R1.3432 C=CCOC(=O)CN(C)C1COC1 f2e2ca1c327cec61f33ca9d4bac8f6ee [0,1,0,1,0,0|2,0,0]=4 4619 B13R1.3434 C=CCNC(=O)CN(C)CC1CC1 dddbe32ffc83ed2bab8fd2c5e0572bbd [0,1,0,1,0,0|2,0,0]=4 4620 B13R1.3434 C=CCOC(=O)CN(C)CC1CC1 c266726b6be81ccf1489c15ff71a9b8f [0,1,0,1,0,0|1,0,0]=3 4621 B13R1.26 C#CC(OCC=C)C1CCCCC1 2a05f60718a82efed03c301dcae6a5c3 [0,1,0,1,0,0|1,0,1]=4 4622 B13R1.26 C=CCOC(C#N)C1CCCCC1 4141a274bacdc371f4c61f23d3f349d0 [0,1,0,1,0,0|1,0,1]=4 4623 B13R1.26 C=CCOC(C=C)C1CCCCC1 3a878eac9ea4618e75bb9d8044343b92 [0,1,0,1,0,0|1,0,1]=4 4624 B13R1.26 C=CCOC(CC)C1CCCCC1 b9ae1881d9f770a20981fa70754c26fb [0,1,0,1,0,0|1,0,1]=4 4625 B13R1.555 CCCCCNc1cccoc1=O 09f3035f32d809ef15e4beb27f4eb0cf [0,1,0,1,0,0|0,0,2]=4 4626 B13R1.555 CCCCCOC1CCCOC1=O 848e64200f37edbec60eb16e1bda0757 [0,1,0,1,0,0|0,0,2]=4 4627 B13R1.555 CCCCCOc1cccoc1=O 70f43d4045e70f103dda7abc557a610d [0,1,0,1,0,0|0,0,2]=4 4628 B13R1.11 C=CC(C)NC(=O)C1CCCCO1 44a19c122b6b8f7ef71c829998e7fe73 [0,1,0,1,0,0|2,0,0]=4 4629 B13R1.11 C=CC(C)NC(=O)[C@@H]1CCCCO1 343037702647999e8b4100d964a76f68 [0,1,0,1,0,0|2,0,0]=4 4630 B13R1.11 C=CC(C)NC(=O)[C@H]1CCCCO1 f4ab4d278dfee2f271cc0bc5b6917a8b [0,1,0,1,0,0|2,0,0]=4 4631 B13R1.11 C=CC(C)OC(C)C1CCCCC1 dca67fac5c424b0c0cc9ca1ef3cefaad [0,1,0,1,0,0|1,0,1]=4 4632 B13R1.11 C=CC(C)O[C@@H](C)C1CCCCC1 e276bd402fa13f4dc8ee03b162275082 [0,1,0,1,0,0|1,0,1]=4 4633 B13R1.11 C=CC(C)O[C@H](C)C1CCCCC1 f3422963636e29a10220b41eb54416a9 [0,1,0,1,0,0|1,0,1]=4 4634 B13R1.11 C=C[C@H](C)OC(C)C1CCCCC1 33db8750d0972f18a953de8670c10857 [0,1,0,1,0,0|1,0,1]=4 4635 B13R1.81 C=CC(C)OC1CCCC(C1)CC 41d8c2b4a6b546abc123d90242d90e28 [0,1,0,1,0,0|1,0,1]=4 4636 B13R1.439 C=CC(C)CC(=O)N1CCCC1C 4328b6ac2323c90e1f55c3b9f28d8d39 [0,1,0,1,0,0|2,0,0]=4 4637 B13R1.439 C=CC(C)CC(=O)N1CCC[C@@H]1C 42d1c777d97ffe76a54d5bf08d61dfeb [0,1,0,1,0,0|2,0,0]=4 4638 B13R1.439 C=CC(C)CC(=O)N1CCC[C@H]1C 8969e1e3515212fbeac59040cf81e2af [0,1,0,1,0,0|2,0,0]=4 4639 B13R1.439 C=CC(C)NC(=O)C1CCCN1C 3883bb520b130a9329982e5cec345825 [0,1,0,1,0,0|2,0,0]=4 4640 B13R1.439 C=CC(C)NC(=O)N1CCCC1C 0b0003e44a7b8b0532e13d810da5e217 [0,1,0,1,0,0|2,0,0]=4 4641 B13R1.439 C=CC(C)NC(=O)N1CCC[C@@H]1C 98f04a222a8e9239f71b7383fc7ebaeb [0,1,0,1,0,0|2,0,0]=4 4642 B13R1.439 C=CC(C)NC(=O)N1CCC[C@H]1C c367611bd02537883cf041fef9178b46 [0,1,0,1,0,0|2,0,0]=4 4643 B13R1.439 C=CC(C)NC(=O)[C@@H]1CCCN1C 9f731d01c8578e49a35b2268e0dab3e8 [0,1,0,1,0,0|2,0,0]=4 4644 B13R1.439 C=CC(C)NC(=O)[C@H]1CCCN1C 79e97b83b8a6527a860470ea01aed934 [0,1,0,1,0,0|2,0,0]=4 4645 B13R1.441 C=CC(C)CC(=O)NCC1CCC1 5543d82e5dfeb6f908e1e16061bbc9e4 [0,1,0,1,0,0|2,0,0]=4 4646 B13R1.441 C=CC(C)NC(=O)CCC1CCC1 e2bf9d127fe8472a060fd1a04ea1b8bc [0,1,0,1,0,0|1,0,0]=3 4647 B13R1.441 C=CC(C)NC(=O)CCN1CCC1 e9421b1ca9b2758d4346220b567ede26 [0,1,0,1,0,0|2,0,0]=4 4648 B13R1.441 C=CC(C)NC(=O)COC1CCC1 b594f804a4400b1b04a6451d3cf6607c [0,1,0,1,0,0|2,0,0]=4 4649 B13R1.441 C=CC(C)NC(=O)NCC1CCC1 5f264bbdee838c4795f2c0f8f9717863 [0,1,0,1,0,0|2,0,0]=4 4650 B13R1.442 C=CC(C)CC(=O)NCCC1CC1 83f9a11bb320362a2fba8aaf6a496b55 [0,1,0,1,0,0|2,0,0]=4 4651 B13R1.442 C=CC(C)NC(=O)CCCC1CC1 45d460cc60e9c28d31b99e8d77f3499a [0,1,0,1,0,0|1,0,0]=3 4652 B13R1.442 C=CC(C)NC(=O)COCC1CC1 3303c502531dc658880506c6ed9d1973 [0,1,0,1,0,0|2,0,0]=4 4653 B13R1.442 C=CC(C)NC(=O)CSCC1CC1 b227afd83452ca160329ae7c9ddb182d [0,1,0,1,0,0|2,0,0]=4 4654 B13R1.442 C=CC(C)NC(=O)NCCC1CC1 65ee130d30c12c44d48ea7094e475fd2 [0,1,0,1,0,0|2,0,0]=4 4655 B13R1.545 C=CC(C)CC(=O)NC1CCCC1 b682c8811ee1479de1c4dbff996367ef [0,1,0,1,0,0|2,0,0]=4 4656 B13R1.545 C=CC(C)NC(=O)CC1CCCC1 545c646554b2b40938d5578ab76e3e57 [0,1,0,1,0,0|1,0,0]=3 4657 B13R1.545 C=CC(C)NC(=O)CC1CCCO1 6caa49b69f7ee755694e474b22bbe93c [0,1,0,1,0,0|2,0,0]=4 4658 B13R1.545 C=CC(C)NC(=O)CC1CCOC1 1ec7c89e0a343c9ef308edbcc50e3706 [0,1,0,1,0,0|2,0,0]=4 4659 B13R1.545 C=CC(C)NC(=O)CN1CCCC1 1b932fb1f2e08a6c8706052eee0ba8e6 [0,1,0,1,0,0|2,0,0]=4 4660 B13R1.545 C=CC(C)NC(=O)C[C@@H]1CCOC1 f89e30cc0f1d794381048e3db88975a8 [0,1,0,1,0,0|2,0,0]=4 4661 B13R1.545 C=CC(C)NC(=O)C[C@H]1CCOC1 18cd8fa9ae2e9a21437629c8dea6272a [0,1,0,1,0,0|2,0,0]=4 4662 B13R1.545 C=CC(C)NC(=O)NC1CCCC1 70eeda2de4d5a2be81c021b5a9e8247a [0,1,0,1,0,0|2,0,0]=4 4663 B13R1.1788 C=CC(C)CC(=O)N[C@@H]1CC[C@H]1C d595de717b4835bef59db52368367fba [0,1,0,1,0,0|2,0,0]=4 4664 B13R1.1788 C=CC(C)CC(=O)N[C@H]1CC[C@H]1C a04f4526c79cd0f155cf4de75ca8fce2 [0,1,0,1,0,0|2,0,0]=4 4665 B13R1.1788 C=CC(C)NC(=O)N[C@@H]1CC[C@H]1C 761a23933e581d3094f3e37de53ed00c [0,1,0,1,0,0|2,0,0]=4 4666 B13R1.1788 C=CC(C)NC(=O)N[C@H]1CC[C@H]1C 1fcfd2192e28bafb116c82be95a5adeb [0,1,0,1,0,0|2,0,0]=4 4667 B13R1.1870 C=CC(C)OC1CCCCCCC1 949ac575f736d5b5f61f8305cefd009d [0,1,0,1,0,0|1,0,1]=4 4668 B13R1.2097 C=CC(C)NC(=O)CC1CC1CC 6334eca99be6b89452be17f5661d56b6 [0,1,0,1,0,0|1,0,0]=3 4669 B13R1.2359 C=CC(C)CC(=O)N1CCC1CC 2931d736c89b32d89d5827bd1b8114fc [0,1,0,1,0,0|2,0,0]=4 4670 B13R1.2359 C=CC(C)NC(=O)N1CCC1CC 979e985bab8296851590cab8ad229015 [0,1,0,1,0,0|2,0,0]=4 4671 B13R1.2359 C=CC(C)NC(=O)[C@@H]1CCN1CC 56b376a307b9aed86f837ae5cf52fb57 [0,1,0,1,0,0|2,0,0]=4 4672 B13R1.47 C=CCN(C)C(=O)C1CCCCO1 dc5fe1df268efd058df0a420b78452fc [0,1,0,1,0,0|2,0,0]=4 4673 B13R1.47 C=CCN(C)C(=O)[C@@H]1CCCCO1 49bf1feb34d65c47ef6cf249c203e58f [0,1,0,1,0,0|2,0,0]=4 4674 B13R1.47 C=CCN(C)C(=O)[C@H]1CCCCO1 fd0921a742c7ca3ef4056bf155c47df1 [0,1,0,1,0,0|2,0,0]=4 4675 B13R1.66 C=CCN(C)C(=O)CC1CCCC1 2e4b4ec7c3ac6da270d7f5bbcdf1de83 [0,1,0,1,0,0|1,0,0]=3 4676 B13R1.66 C=CCN(C)C(=O)CC1CCCO1 4d9c592c5bd5942fe1474f1f2778ba2c [0,1,0,1,0,0|2,0,0]=4 4677 B13R1.66 C=CCN(C)C(=O)CC1CCOC1 b98a6a4bf21a98e8cae9560d2a2dfb2c [0,1,0,1,0,0|2,0,0]=4 4678 B13R1.66 C=CCN(C)C(=O)CN1CCCC1 2120e8381cd61740b6ae89c76ea76f16 [0,1,0,1,0,0|2,0,0]=4 4679 B13R1.66 C=CCN(C)C(=O)C[C@@H]1CCOC1 d84bd8a182320182f0c3b391df006588 [0,1,0,1,0,0|2,0,0]=4 4680 B13R1.66 C=CCN(C)C(=O)C[C@H]1CCOC1 311e6378d7ded010272634d8e4bec811 [0,1,0,1,0,0|2,0,0]=4 4681 B13R1.66 C=CCN(C)C(=O)NC1CCCC1 71cf11b278afe98db8ce13481cd062ee [0,1,0,1,0,0|2,0,0]=4 4682 B13R1.2909 C=CCN(C)C(=O)C1CCCN1C c39ca6d37e7cab98ef45bf46f25cd0f6 [0,1,0,1,0,0|2,0,0]=4 4683 B13R1.2909 C=CCN(C)C(=O)[C@@H]1CCCN1C ff43dac645b66639853c59e738e0535a [0,1,0,1,0,0|2,0,0]=4 4684 B13R1.2909 C=CCN(C)C(=O)[C@H]1CCCN1C 5b18a3566263fa5eca45e8c791d9857e [0,1,0,1,0,0|2,0,0]=4 4685 B13R1.2910 C=CCN(C)C(=O)[C@@H]1CCN1CC 12c23cbe0251fe3aaa6428bceb92e4e7 [0,1,0,1,0,0|2,0,0]=4 4686 B13R1.2912 C=CCN(C)C(=O)CC1CC1CC 0e37421ee313e4e5d2bea4990fdb3f59 [0,1,0,1,0,0|1,0,0]=3 4687 B13R1.2966 C=CCN(C)C(=O)CCC1CCC1 282774fc660a71bee6d81b64c972774f [0,1,0,1,0,0|1,0,0]=3 4688 B13R1.2966 C=CCN(C)C(=O)CCN1CCC1 65cf1b7ab824002ee034d47710993106 [0,1,0,1,0,0|2,0,0]=4 4689 B13R1.2966 C=CCN(C)C(=O)COC1CCC1 ed1f0725a2143fb489b1767bceb19581 [0,1,0,1,0,0|2,0,0]=4 4690 B13R1.2966 C=CCN(C)C(=O)NCC1CCC1 22ef43254619085aa2a0fc2f2e2bc139 [0,1,0,1,0,0|2,0,0]=4 4691 B13R1.2967 C=CCN(C)C(=O)CCCC1CC1 78d4d0224d7226acc75e34beedbfe8e8 [0,1,0,1,0,0|1,0,0]=3 4692 B13R1.2967 C=CCN(C)C(=O)COCC1CC1 d9b12298cd84f6ed32ed5e55af8c8080 [0,1,0,1,0,0|2,0,0]=4 4693 B13R1.2967 C=CCN(C)C(=O)CSCC1CC1 61c9a0c4dc022e87e7b4f1705a891765 [0,1,0,1,0,0|2,0,0]=4 4694 B13R1.2967 C=CCN(C)C(=O)NCCC1CC1 469eb512f26defa1cd154f5e9dd732bb [0,1,0,1,0,0|2,0,0]=4 4695 B13R1.2968 C=CCN(C)C(=O)N[C@@H]1CC[C@H]1C 38df1a955690500ccb040994d167a43c [0,1,0,1,0,0|2,0,0]=4 4696 B13R1.2968 C=CCN(C)C(=O)N[C@H]1CC[C@H]1C 81972bf252b1c6282629dce18d6ca44c [0,1,0,1,0,0|2,0,0]=4 4697 B13R1.28 CCCOCCCC1=CCC=CC1 0e618e7d081ca3a205e1b9c0bc3c6605 [0,1,0,1,0,0|2,0,0]=4 4698 B13R1.682 C=CCCC(=O)N1CCC1CCO cee9ec6a503df60314dcc54c14f6a539 [0,1,0,1,0,0|2,0,0]=4 4699 B13R1.682 C=CCCC(=O)N1CCC1COC 53a14af3072934019ab3106963e4764b [0,1,0,1,0,0|2,0,0]=4 4700 B13R1.682 C=CCCC(=O)N1CC[C@@H]1COC e76d97912c105001054baca7fb2a80c9 [0,1,0,1,0,0|2,0,0]=4 4701 B13R1.682 C=CCCC(=O)N1CC[C@H]1COC d8f645b2e922e09c88aa174a92075171 [0,1,0,1,0,0|2,0,0]=4 4702 B13R1.684 C=C/C=C/C(=O)N1CCCC1CC c5582d9cc5128bf314a6f29737b78610 [0,1,0,1,0,0|1,0,1]=4 4703 B13R1.684 C=C/C=C/C(=O)N1CCC[C@H]1CC e8c1633505f98cd9152e77b00bb81f42 [0,1,0,1,0,0|1,0,1]=4 4704 B13R1.684 C=C/C=C\C(=O)N1CCCC1CC b0ed4cf79004a0ad8b3c689a2c8ecac8 [0,1,0,1,0,0|1,0,1]=4 4705 B13R1.684 C=C/C=C\C(=O)N1CCC[C@H]1CC 9018f3d5d73eb59bd6655432634452f0 [0,1,0,1,0,0|1,0,1]=4 4706 B13R1.684 C=CC=CC(=O)N1CCCC1CC f36850d12d66cfbea9182dc32cc46b4f [0,1,0,1,0,0|1,0,1]=4 4707 B13R1.684 C=CC=CC(=O)N1CCC[C@H]1CC 6151dbabec350689c2d98f47552400b4 [0,1,0,1,0,0|1,0,1]=4 4708 B13R1.684 C=CCCC(=O)N1CCCC1CC f49dac3f7975b663c15bb7c28b56c67f [0,1,0,1,0,0|1,0,0]=3 4709 B13R1.684 C=CCCC(=O)N1CCCC1CO 6504457c9f3a27804611726396fdd438 [0,1,0,1,0,0|2,0,0]=4 4710 B13R1.684 C=CCCC(=O)N1CCCC1OC 6d7eb0e80ddacc5bf3a44674a5cc7192 [0,1,0,1,0,0|2,0,0]=4 4711 B13R1.684 C=CCCC(=O)N1CCC[C@@H]1CF 0ff76ed24f73b394f5b9453b05f6a104 [0,1,0,1,0,0|2,0,0]=4 4712 B13R1.684 C=CCCC(=O)N1CCC[C@@H]1CO b6e583b0b23eb4f1978dfd56831d2ef6 [0,1,0,1,0,0|2,0,0]=4 4713 B13R1.684 C=CCCC(=O)N1CCC[C@H]1CC b3a9439c1ac3cfa598bd33a92dcc8269 [0,1,0,1,0,0|1,0,0]=3 4714 B13R1.684 C=CCCC(=O)N1CCC[C@H]1CF d05875a332d2ef55d0a2bc643f8828a7 [0,1,0,1,0,0|2,0,0]=4 4715 B13R1.684 C=CCCC(=O)N1CCC[C@H]1CO 50627948f045e95486d011ac92b45035 [0,1,0,1,0,0|2,0,0]=4 4716 B13R1.684 CCC1CCCN1C(=O)CCC=O 62aa239e5b392e9d9630ba3edca9322f [0,1,0,1,0,0|2,0,0]=4 4717 B13R1.684 CC[C@@H]1CCCN1C(=O)CCC=O e28fda9acb81a50251fe38c7680e4980 [0,1,0,1,0,0|2,0,0]=4 4718 B13R1.687 C=CCCC(=O)NC1CCC1OC b6980b0f55eedd5aa9f3bb7604bfbb6b [0,1,0,1,0,0|2,0,0]=4 4719 B13R1.687 C=CCCC(=O)N[C@@H]1CC[C@@H]1OC 71f7cfd31927b5479aa8895674ab3928 [0,1,0,1,0,0|2,0,0]=4 4720 B13R1.687 C=CCCC(=O)N[C@@H]1CC[C@H]1OC 7c3443b7e1cd369031db24a5a14547c6 [0,1,0,1,0,0|2,0,0]=4 4721 B13R1.687 C=CCCC(=O)N[C@H]1CC[C@@H]1OC ab441f1c056a7faa0fbaf4e9fccea69e [0,1,0,1,0,0|2,0,0]=4 4722 B13R1.687 C=CCCC(=O)N[C@H]1CC[C@H]1OC 956b9099909fc9eb2944e50986db6c6d [0,1,0,1,0,0|2,0,0]=4 4723 B13R1.687 C=CCNC(=O)CN1CCC1CC 421586cb1c5ea2fed0650ad7c5baa7dd [0,1,0,1,0,0|1,0,0]=3 4724 B13R1.687 C=CCNC(=O)CN1CCC1CO b777f3705e8b720a35b49056db57bc27 [0,1,0,1,0,0|2,0,0]=4 4725 B13R1.687 C=CCNC(=O)CN1CC[C@@H]1CO e896826d6fe2749bb6b7226479891132 [0,1,0,1,0,0|2,0,0]=4 4726 B13R1.687 C=CCNC(=O)CN1CC[C@H]1CO d9744deffe175a10751f0071ca154743 [0,1,0,1,0,0|2,0,0]=4 4727 B13R1.687 C=CCOC(=O)CN1CCC1CC e6abc94afcc96f7003bc8133b6653453 [0,1,0,1,0,0|0,0,0]=2 4728 B13R1.687 C=CCOC(=O)CN1CCC1CO bb367265bbb921f33566dbd7bd4082c8 [0,1,0,1,0,0|1,0,0]=3 4729 B13R1.687 C=CCOC(=O)CN1CC[C@@H]1CO c42207592794b754126efca5dcec08d9 [0,1,0,1,0,0|1,0,0]=3 4730 B13R1.687 C=CCOC(=O)CN1CC[C@H]1CO c0a0fefdfacc543f89b0bf463c0d5eaa [0,1,0,1,0,0|1,0,0]=3 4731 B13R1.687 CCCOC(=O)CN1CCC1CC 25979bb0eac3a68ad27d0234759164d6 [0,1,0,1,0,0|0,0,2]=4 4732 B13R1.1133 CCCCCNC1C(=O)CCC1=O a028714e8938b6e57287ed50b99d1be7 [0,1,0,1,0,0|2,0,0]=4 4733 B13R1.1133 CCCCCOC1C(=O)COC1=O d3737d0889ad175b8db620b2e5e7b93b [0,1,0,1,0,0|1,0,0]=3 4734 B13R1.1133 O=C1COC(=O)C1OCCCCF fc0cef677dd69f31df75b22f6ee133d2 [0,1,0,1,0,0|2,0,0]=4 4735 B13R1.2488 C=C/C=C/C(=O)N1CCCCCC1 bad94ff796292c38b121faf1ae12596f [0,1,0,1,0,0|1,0,1]=4 4736 B13R1.2488 C=C/C=C\C(=O)N1CCCCCC1 9b5afb24573ab0079de62b543ef1842f [0,1,0,1,0,0|1,0,1]=4 4737 B13R1.2488 C=CC=CC(=O)N1CCCCCC1 2fd1b20a2a92b9b292fcab238d34f1b4 [0,1,0,1,0,0|1,0,1]=4 4738 B13R1.2488 C=CCCC(=O)N1CCCCCC1 11c35a79d7f46461aec4b79ea5aa9fac [0,1,0,1,0,0|1,0,0]=3 4739 B13R1.2488 C=CCCC(=O)N1CCCOCC1 799a3679c94f8e9f0508e3f6ab1f5bb1 [0,1,0,1,0,0|2,0,0]=4 4740 B13R1.2488 O=CCCC(=O)N1CCCCCC1 b756e3618d4bf9a5c021211286b18188 [0,1,0,1,0,0|2,0,0]=4 4741 B13R1.3572 CCCCCCNC(=O)C1=CCC1 d64e186058ba99def4cb847b38ec3a4e [0,1,0,1,0,0|1,0,1]=4 4742 B13R1.45 C=C(Br)CNC(=O)C1CCCCO1 6a608b718a27fe62391c9868e3814197 [0,1,0,1,0,0|2,0,0]=4 4743 B13R1.45 C=C(Br)CNC(=O)[C@@H]1CCCCO1 2c8e871dfdde3d3c1235400523d818d7 [0,1,0,1,0,0|2,0,0]=4 4744 B13R1.45 C=C(Br)CNC(=O)[C@H]1CCCCO1 61b1bb37a5a549172aa26daabdea29d5 [0,1,0,1,0,0|2,0,0]=4 4745 B13R1.45 C=C(Br)COC(C)C1CCCCC1 d9f2826e02bba71ec0dfe46053fc467c [0,1,0,1,0,0|1,0,1]=4 4746 B13R1.45 C=C(Br)CO[C@@H](C)C1CCCCC1 599e672b2e04674586db3e36ead9b70a [0,1,0,1,0,0|1,0,1]=4 4747 B13R1.45 C=C(Br)CO[C@H](C)C1CCCCC1 fe8a6ab03bafcfe62b9e93db35ce7cc9 [0,1,0,1,0,0|1,0,1]=4 4748 B13R1.45 C=C(C)CNC(=O)C1CCCCO1 81b9f28edff1408ae8aa4097db1678ee [0,1,0,1,0,0|2,0,0]=4 4749 B13R1.45 C=C(C)CNC(=O)[C@@H]1CCCCO1 21ee9db59e67b61d050a18344ced6503 [0,1,0,1,0,0|2,0,0]=4 4750 B13R1.45 C=C(C)CNC(=O)[C@H]1CCCCO1 7ae0da1ff56b8716e53c94340d359ecd [0,1,0,1,0,0|2,0,0]=4 4751 B13R1.45 C=C(C)COC(C)C1CCCCC1 1ca6ead582b558dad4135a78e61d49ff [0,1,0,1,0,0|1,0,1]=4 4752 B13R1.45 C=C(C)CO[C@@H](C)C1CCCCC1 8f646292fccb4598982d3b00196cfca7 [0,1,0,1,0,0|1,0,1]=4 4753 B13R1.45 C=C(C)CO[C@H](C)C1CCCCC1 fdff330fc4ee515e24984d70fbf10f90 [0,1,0,1,0,0|1,0,1]=4 4754 B13R1.45 C=C(Cl)COC(C)C1CCCCC1 811205ad48f18a97c97be0387950dbc4 [0,1,0,1,0,0|1,0,1]=4 4755 B13R1.45 C=C(Cl)CO[C@@H](C)C1CCCCC1 73b13f98325e0a6eb033fbdb62c30fd1 [0,1,0,1,0,0|1,0,1]=4 4756 B13R1.45 C=C(Cl)CO[C@H](C)C1CCCCC1 509bbb6c8a598e1c8fcf0d7a59a57d62 [0,1,0,1,0,0|1,0,1]=4 4757 B13R1.45 C=C(F)COC(C)C1CCCCC1 b92d20c69e4c40adc949d033a5d2ceab [0,1,0,1,0,0|1,0,1]=4 4758 B13R1.45 C=C(F)CO[C@@H](C)C1CCCCC1 051a5c4af3620bfebd4dd4d84f6234f7 [0,1,0,1,0,0|1,0,1]=4 4759 B13R1.45 C=C(F)CO[C@H](C)C1CCCCC1 d71989dcb5a8989d13e635136d11bf3c [0,1,0,1,0,0|1,0,1]=4 4760 B13R1.45 C=C(I)COC(C)C1CCCCC1 bb046ad6a81aafddfa1b67291a807100 [0,1,0,1,0,0|1,0,1]=4 4761 B13R1.168 C=C(Br)CNC(=O)C1CCCN1C dcdc38b2d3a71f8dc3b12a27ca56db4f [0,1,0,1,0,0|2,0,0]=4 4762 B13R1.168 C=C(Br)CNC(=O)N1CCCC1C 615293b3503b7fa2597d48e2aaa3753a [0,1,0,1,0,0|2,0,0]=4 4763 B13R1.168 C=C(Br)CNC(=O)N1CCC[C@@H]1C 074d91b3ee16ba9332f1c523fc295934 [0,1,0,1,0,0|2,0,0]=4 4764 B13R1.168 C=C(Br)CNC(=O)N1CCC[C@H]1C 9adbf05dffa14159e70aaa3b47dcc6cf [0,1,0,1,0,0|2,0,0]=4 4765 B13R1.168 C=C(Br)CNC(=O)[C@@H]1CCCN1C 25ea9ebf6d571c761fed4dbf003755b4 [0,1,0,1,0,0|2,0,0]=4 4766 B13R1.168 C=C(Br)CNC(=O)[C@H]1CCCN1C 218446f08d47b4022f4d955b5c1ee598 [0,1,0,1,0,0|2,0,0]=4 4767 B13R1.168 C=C(C)CCC(=O)N1CCCC1C 30e13f73c0f881fc10ea4081073e2616 [0,1,0,1,0,0|2,0,0]=4 4768 B13R1.168 C=C(C)CCC(=O)N1CCC[C@@H]1C 6ab97e2ee3b282ee8e30b85ee2eb9336 [0,1,0,1,0,0|2,0,0]=4 4769 B13R1.168 C=C(C)CCC(=O)N1CCC[C@H]1C 062e25075708b03e9dbc693baff81b18 [0,1,0,1,0,0|2,0,0]=4 4770 B13R1.168 C=C(C)CNC(=O)C1CCCN1C 870441b1e4c60b242caf93aba5e3d269 [0,1,0,1,0,0|2,0,0]=4 4771 B13R1.168 C=C(C)CNC(=O)N1CCCC1C 59f6c2064730f9fcad79ec4ecdde07bf [0,1,0,1,0,0|2,0,0]=4 4772 B13R1.168 C=C(C)CNC(=O)N1CCC[C@@H]1C 9fc0220b5de498e342a905ff1726eb9e [0,1,0,1,0,0|2,0,0]=4 4773 B13R1.168 C=C(C)CNC(=O)N1CCC[C@H]1C ef4d9849e8c91f5617369ff504ff83ed [0,1,0,1,0,0|2,0,0]=4 4774 B13R1.168 C=C(C)CNC(=O)[C@@H]1CCCN1C 27712dcdbeda1f3eaf160705b7940372 [0,1,0,1,0,0|2,0,0]=4 4775 B13R1.168 C=C(C)CNC(=O)[C@H]1CCCN1C 94828862032083889c69eba7e97cf5f8 [0,1,0,1,0,0|2,0,0]=4 4776 B13R1.277 C=C(Br)CNC(=O)N[C@@H]1CC[C@H]1C e81c8f01df6a4e5e92aebec78760891f [0,1,0,1,0,0|2,0,0]=4 4777 B13R1.277 C=C(Br)CNC(=O)N[C@H]1CC[C@H]1C 50a1fb41b1aac2f78444721a67dcfbde [0,1,0,1,0,0|2,0,0]=4 4778 B13R1.277 C=C(C)CCC(=O)N[C@@H]1CC[C@H]1C 25f8e131680bea749352591a2ffe7a47 [0,1,0,1,0,0|2,0,0]=4 4779 B13R1.277 C=C(C)CCC(=O)N[C@H]1CC[C@H]1C 45df6dca53ee455ef040acaa14e41fc2 [0,1,0,1,0,0|2,0,0]=4 4780 B13R1.277 C=C(C)CNC(=O)N[C@@H]1CC[C@H]1C 2c123e4072b5ae1893a3e9d0d407b41d [0,1,0,1,0,0|2,0,0]=4 4781 B13R1.277 C=C(C)CNC(=O)N[C@H]1CC[C@H]1C f95e80e87d2c9cbeeb1f7b96264f4325 [0,1,0,1,0,0|2,0,0]=4 4782 B13R1.344 C=C(Br)CNC(=O)CC1CCCC1 0a5ec2112676d3fbc2878baf9500b481 [0,1,0,1,0,0|1,0,0]=3 4783 B13R1.344 C=C(Br)CNC(=O)CC1CCCO1 e489c51da9ab926fd0bcbda7a45ed0a1 [0,1,0,1,0,0|2,0,0]=4 4784 B13R1.344 C=C(Br)CNC(=O)CC1CCOC1 30dbdce2df924a0838f7db9769a66cc5 [0,1,0,1,0,0|2,0,0]=4 4785 B13R1.344 C=C(Br)CNC(=O)CN1CCCC1 8ead91ecb925d77a87072dc4cb6f5a08 [0,1,0,1,0,0|2,0,0]=4 4786 B13R1.344 C=C(Br)CNC(=O)C[C@@H]1CCOC1 0a96d504eb5eedecb797d4e9579f8996 [0,1,0,1,0,0|2,0,0]=4 4787 B13R1.344 C=C(Br)CNC(=O)C[C@H]1CCOC1 d8d2e8bd06641e2e2f5df79f504d0e41 [0,1,0,1,0,0|2,0,0]=4 4788 B13R1.344 C=C(Br)CNC(=O)NC1CCCC1 0c60d12ac2c34eb5222d3e28aa7b25d8 [0,1,0,1,0,0|2,0,0]=4 4789 B13R1.344 C=C(C)CCC(=O)NC1CCCC1 4af1ed433b66d6fb8dc6ec614b850727 [0,1,0,1,0,0|2,0,0]=4 4790 B13R1.344 C=C(C)CNC(=O)CC1CCCC1 2ab820503c0c9b612195b11e69b07094 [0,1,0,1,0,0|1,0,0]=3 4791 B13R1.344 C=C(C)CNC(=O)CC1CCCO1 6eff216d6ebdaa59272cc63757667d50 [0,1,0,1,0,0|2,0,0]=4 4792 B13R1.344 C=C(C)CNC(=O)CC1CCOC1 2c55ddf3bfd65dbda2b22959e4e809a9 [0,1,0,1,0,0|2,0,0]=4 4793 B13R1.344 C=C(C)CNC(=O)CN1CCCC1 b4853cf655ed9e3115c727c4802c8100 [0,1,0,1,0,0|2,0,0]=4 4794 B13R1.344 C=C(C)CNC(=O)C[C@@H]1CCOC1 085c4d342dd299b5af1c74b58475f51c [0,1,0,1,0,0|2,0,0]=4 4795 B13R1.344 C=C(C)CNC(=O)C[C@H]1CCOC1 b625fa0bce0e78fa979c11c93eaea3fc [0,1,0,1,0,0|2,0,0]=4 4796 B13R1.344 C=C(C)CNC(=O)NC1CCCC1 ce8a5c3e40bbe45243f8c0234032b0e1 [0,1,0,1,0,0|2,0,0]=4 4797 B13R1.344 CC(=O)CNC(=O)CC1CCCC1 4b6669403f0922252c0e438abc819fc2 [0,1,0,1,0,0|1,0,1]=4 4798 B13R1.344 NC(=O)CNC(=O)CC1CCCC1 608ff36de3da377157430b25dd543ad2 [0,1,0,1,0,0|2,0,0]=4 4799 B13R1.628 C=C(Br)CNC(=O)CC1CC1CC 8d77b4ab40c06de80a7918ca5d3d1e5d [0,1,0,1,0,0|1,0,0]=3 4800 B13R1.628 C=C(C)CNC(=O)CC1CC1CC af3818fc5be9c25f574f849d5fb86e38 [0,1,0,1,0,0|1,0,0]=3 4801 B13R1.628 CCC1CC1CC(=O)NCC(=O)C f660bf4fa7b846ccb5d19e21e5a8bfb7 [0,1,0,1,0,0|1,0,1]=4 4802 B13R1.628 CCC1CC1CC(=O)NCC(=O)N f857c9fddfd723fdbcc8614e1a92ec0c [0,1,0,1,0,0|2,0,0]=4 4803 B13R1.643 C=C(Br)COC1CCCC(C1)CC 3064bf383f2d05d40051c4c17d3ed8e5 [0,1,0,1,0,0|1,0,1]=4 4804 B13R1.643 C=C(C)COC1CCCC(C1)CC cb7578b9d8e88ed018a5c7dec9bbaaf0 [0,1,0,1,0,0|1,0,1]=4 4805 B13R1.643 C=C(Cl)COC1CCCC(C1)CC 0ac2ff282c98d68fcdac5058b3844c72 [0,1,0,1,0,0|1,0,1]=4 4806 B13R1.643 C=C(F)COC1CCCC(C1)CC 51b8ed2039109a0f1b5f8e62907b7881 [0,1,0,1,0,0|1,0,1]=4 4807 B13R1.649 C=C(Br)CNC(=O)N1CCC1CC 3135c4d8a6d1ad12c07e9b03595ce01a [0,1,0,1,0,0|2,0,0]=4 4808 B13R1.649 C=C(Br)CNC(=O)[C@@H]1CCN1CC 342d4876175cfaa582bc6f932b64944c [0,1,0,1,0,0|2,0,0]=4 4809 B13R1.649 C=C(C)CCC(=O)N1CCC1CC bf39ffecb6e534cf8ed37663609b9a97 [0,1,0,1,0,0|2,0,0]=4 4810 B13R1.649 C=C(C)CNC(=O)N1CCC1CC 5136c1f3f604505160d175e0d92ab385 [0,1,0,1,0,0|2,0,0]=4 4811 B13R1.649 C=C(C)CNC(=O)[C@@H]1CCN1CC 822ad7c36a2e1762e0c69d44958bfd71 [0,1,0,1,0,0|2,0,0]=4 4812 B13R1.1022 C=C(Br)COC1CCCCCCC1 4357928e308d4471082f05895d3e3ab9 [0,1,0,1,0,0|1,0,1]=4 4813 B13R1.1022 C=C(C)COC1CCCCCCC1 023f65b8fb6106217895f73fbb082a00 [0,1,0,1,0,0|1,0,1]=4 4814 B13R1.1022 C=C(Cl)COC1CCCCCCC1 2951e87f25de3c15e549ddf79da75db7 [0,1,0,1,0,0|1,0,1]=4 4815 B13R1.1022 C=C(F)COC1CCCCCCC1 80bf007d7efcc499688485dfa1e2e568 [0,1,0,1,0,0|1,0,1]=4 4816 B13R1.1054 C=C(Br)CNC(=O)CCC1CCC1 e813354d1976bf091bb2908e610447bf [0,1,0,1,0,0|1,0,0]=3 4817 B13R1.1054 C=C(Br)CNC(=O)CCN1CCC1 150af7e89ea5c1bb6b66538440144857 [0,1,0,1,0,0|2,0,0]=4 4818 B13R1.1054 C=C(Br)CNC(=O)COC1CCC1 139728435fa1902da7edcd0bff43039b [0,1,0,1,0,0|2,0,0]=4 4819 B13R1.1054 C=C(Br)CNC(=O)NCC1CCC1 c8025a96ceacaadf06eb229e6041c548 [0,1,0,1,0,0|2,0,0]=4 4820 B13R1.1054 C=C(C)CCC(=O)NCC1CCC1 d761d2fb46cc79b22c547e02a7e8f352 [0,1,0,1,0,0|2,0,0]=4 4821 B13R1.1054 C=C(C)CNC(=O)CCC1CCC1 314e7f32fa762208235317ab5439460b [0,1,0,1,0,0|1,0,0]=3 4822 B13R1.1054 C=C(C)CNC(=O)CCN1CCC1 7ed596a8f54d15cce4a25acfe7ef3973 [0,1,0,1,0,0|2,0,0]=4 4823 B13R1.1054 C=C(C)CNC(=O)COC1CCC1 b7b6147e1600f4bd1dbe2e4c014e5d3f [0,1,0,1,0,0|2,0,0]=4 4824 B13R1.1054 C=C(C)CNC(=O)NCC1CCC1 6752d19309fb178c34ff7e99fea4885f [0,1,0,1,0,0|2,0,0]=4 4825 B13R1.1054 CC(=O)CNC(=O)CCC1CCC1 7826c647f61e770345e7f3d90e5893cf [0,1,0,1,0,0|1,0,1]=4 4826 B13R1.1054 NC(=O)CNC(=O)CCC1CCC1 ff4c29abf9784e51e7fef95a51e49cc8 [0,1,0,1,0,0|2,0,0]=4 4827 B13R1.1055 C=C(Br)CNC(=O)CCCC1CC1 7e5a62c67f182b98a6d0ece67525e9ea [0,1,0,1,0,0|1,0,0]=3 4828 B13R1.1055 C=C(Br)CNC(=O)COCC1CC1 43b8ac3de0c08267dc404f756df6f7ad [0,1,0,1,0,0|2,0,0]=4 4829 B13R1.1055 C=C(Br)CNC(=O)CSCC1CC1 d0dc43687cfb29c38b23c57c56cdcd7e [0,1,0,1,0,0|2,0,0]=4 4830 B13R1.1055 C=C(Br)CNC(=O)NCCC1CC1 72961ceeaf9cf865f2c6c489dafce1ee [0,1,0,1,0,0|2,0,0]=4 4831 B13R1.1055 C=C(C)CCC(=O)NCCC1CC1 6928f325ee3871a0fcbfedab995e7237 [0,1,0,1,0,0|2,0,0]=4 4832 B13R1.1055 C=C(C)CNC(=O)CCCC1CC1 82448eaf8e0d66d8cf2cc54e4111b8cb [0,1,0,1,0,0|1,0,0]=3 4833 B13R1.1055 C=C(C)CNC(=O)COCC1CC1 26fa9bb3e334a1f8b4e87e4ca0aeaa40 [0,1,0,1,0,0|2,0,0]=4 4834 B13R1.1055 C=C(C)CNC(=O)CSCC1CC1 00d36a058b8fabb5b22590bef3fd5ad7 [0,1,0,1,0,0|2,0,0]=4 4835 B13R1.1055 C=C(C)CNC(=O)NCCC1CC1 0a656d73619ffaf8fd135a2a2c5685eb [0,1,0,1,0,0|2,0,0]=4 4836 B13R1.1055 CC(=O)CNC(=O)CCCC1CC1 60dcef5b5701d97c18be73e969f542a5 [0,1,0,1,0,0|1,0,1]=4 4837 B13R1.1055 NC(=O)CNC(=O)CCCC1CC1 af6604acea09e66e00ea64a6f0c401ee [0,1,0,1,0,0|2,0,0]=4 4838 B13R1.166 C=CCCC(=O)N(C)C1CCCC1 0906660d4dfb3a1f96442639870ccdf6 [0,1,0,1,0,0|2,0,0]=4 4839 B13R1.3553 C=CCNC(=O)C(C)NC1CC1C a4bd41b19747d192bb3662fe7e49f364 [0,1,0,1,0,0|2,0,0]=4 4840 B13R1.3554 C=CCCC(=O)N(C)CC1CCC1 2f10448585857dc40f382667b5ac3364 [0,1,0,1,0,0|2,0,0]=4 4841 B13R1.3554 C=CCNC(=O)C(C)NC1CCC1 201eb88394f1f85500672912062841f6 [0,1,0,1,0,0|2,0,0]=4 4842 B13R1.3554 C=CCNC(=O)C(C)OC1CCC1 2e8b95ea4a93aeff79154134ddb1b053 [0,1,0,1,0,0|2,0,0]=4 4843 B13R1.3554 C=CCOC(=O)[C@H](C)NC1CCC1 a98eb38e0e794f4c8d029ff0956d9ce5 [0,1,0,1,0,0|1,0,0]=3 4844 B13R1.3554 C=CCOC(=O)[C@H](C)NC1COC1 4cb318f13d7ad9b044577377de1e3078 [0,1,0,1,0,0|2,0,0]=4 4845 B13R1.3555 C=CCNC(=O)C(C)NCC1CC1 300c4d4b39a4acaed55b340c35894bc0 [0,1,0,1,0,0|2,0,0]=4 4846 B13R1.3555 C=CCNC(=O)C(C)OCC1CC1 fb75b7b76f8ad3fa1dfb2b18db4d8e18 [0,1,0,1,0,0|2,0,0]=4 4847 B13R1.3555 C=CCOC(=O)[C@H](C)NCC1CC1 1f115ec2c6b8cc8f7632e19c8dc83510 [0,1,0,1,0,0|1,0,0]=3 4848 B13R2.510 C=CCOC1CC2CCC1CC2 b1fab5f842ef8278205b51ddfe8fb7c6 [0,0,0,2,0,0|1,0,1]=4 4849 B13R2.2205 C=CCCC(=O)N1C2C1CCC2 ae8bb41eb50af1afdf3e619485b8e0cf [0,0,0,2,0,0|2,0,0]=4 4850 B13R2.2211 C=CCCC(=O)N1CCC2C1C2 5ade03c91ab1a675e45b482e91e595e3 [0,0,0,2,0,0|2,0,0]=4 4851 B13R2.2214 C=CCCC(=O)N1CC2CC2C1 f9a7c34a7e23227e86b8c95d2269f68f [0,0,0,2,0,0|2,0,0]=4 4852 B13R2.2198 C=CCCC(=O)N1CC2CC1C2 1ebc217079acc1b1117e5bf42d76111c [0,0,0,2,0,0|2,0,0]=4 4853 B13R2.10337 CC1CC1NC2C(=O)COC2=O e9dd0f53ef75ca0b9a49d8664a4ad780 [0,0,0,2,0,0|2,0,0]=4