0 B7R0.6 CC(=O)CNC(=O)C 982808bac236d2eb3e7a5c9783b91d18 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 CC(=O)NCC(=O)N 92f9d7b7dd1ea6db16db7dd9d0e64155 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.4 NC(=O)CNC=O 69aa9557cbc9861258c5d0da5bd61a6e [1,0,0,0,0,0|2,0,1]=4 4 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.9 C=C(C=O)OCC(=O)O 51cf25f24ad7581d33b70bddaf0e4f72 [0,1,0,0,0,0|2,0,1]=4 6 B8R0.9 CC(=O)CNC(=O)CO d375a24b35361625580ca34c6266f702 [0,1,0,0,0,0|2,0,1]=4 7 B8R0.9 CC(=O)NCC(=O)NO 859b03f5192e57ca509f1bfda110b8fd [0,1,0,0,0,0|2,0,1]=4 8 B8R0.9 COC(=O)CNC(=O)C b0f97d8003dd4b6278e13b9959e4a2e1 [0,1,0,0,0,0|2,0,1]=4 9 B8R0.9 NC(=O)CNC(=O)CO 653fe2a259064b2314936bfe631decbe [0,1,0,0,0,0|2,0,1]=4 10 B8R0.28 CC(=O)CNCC(=O)O 3b62ba43bac1c68066fe81a9d9795c10 [0,0,0,0,0,1|1,0,2]=4 11 B8R0.28 CC(=O)COCC(=O)O f81228ab107345361ebd98034538304d [0,0,0,0,0,1|1,0,2]=4 12 B8R0.28 NC(=O)CNCC(=O)O f2703709dbe66eb9eafa6a5e3a6833d0 [0,0,0,0,0,1|1,0,2]=4 13 B8R0.28 NC(=O)COCC(=O)O ca1a8d30b253d832771128a06ed499a3 [0,0,0,0,0,1|1,0,2]=4 14 B8R0.28 O=C(O)CNCC(=O)O 7ab7bcf73fc666bf191dd4d7783c1974 [0,0,0,0,0,1|0,0,2]=3 15 B8R0.28 O=C(O)COCC(=O)O c0e1c849c7114f9f4b4ce529ad852b29 [0,0,0,0,0,1|0,0,2]=3 16 B8R0.28 O=C(O)COCS(=O)O 5f5dfe808e062671c6c68f22db3ca309 [0,0,0,0,0,1|1,0,2]=4 17 B7R0.3 COC(=O)CNC=O 4035363612cad4721a397e3e776f2bc3 [1,1,0,0,0,0|1,0,1]=4 18 B7R0.3 O=CNCC(=O)NO 2a6f44f0a455b32a62c0f05c89977d8b [1,1,0,0,0,0|1,0,1]=4 19 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [1,1,0,0,0,0|0,0,2]=4 20 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [1,1,0,0,0,0|0,0,2]=4 21 B9R0.1 COC(=O)CNCC(=O)O d413351b1bd64263dc30d4f78e9bad17 [0,1,0,0,0,1|0,0,2]=4 22 B9R0.1 COC(=O)COCC(=O)O ffa9d3a5a545c2957a369e509906e94d [0,1,0,0,0,1|0,0,2]=4 23 B9R0.1 O=C(O)CNCC(=O)CO 67ffc001715ccd674ca2190fd74d727d [0,1,0,0,0,1|0,0,2]=4 24 B9R0.1 O=C(O)CNCC(=O)NO f079cb1525909f20017391ae2500bf2e [0,1,0,0,0,1|0,0,2]=4 25 B9R0.7 CC(NCC(=O)O)C(=O)O 987b2499311f8742f9deea3b5e39f6e6 [0,1,0,0,0,1|0,0,2]=4 26 B9R0.7 CC(OCC(=O)O)C(=O)O 703dd626490aec635a09876bfd310d6e [0,1,0,0,0,1|0,0,2]=4 27 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O 415a0334860aefb2a3620bf8fdc363b7 [0,1,0,0,0,1|0,0,2]=4 28 B9R0.7 C[C@@H](OCC(=O)O)C(=O)O 4a8d16a0c243ab4716ea82e35fa33547 [0,1,0,0,0,1|0,0,2]=4 29 B9R0.7 C[C@H](NCC(=O)O)C(=O)O f9625cec5eb0d5af5124541dcd344e57 [0,1,0,0,0,1|0,0,2]=4 30 B9R0.7 C[C@H](OCC(=O)O)C(=O)O fee1967c0e07a40963d81dc0d0074185 [0,1,0,0,0,1|0,0,2]=4 31 B9R0.7 O=C(O)CNC(O)C(=O)O a8c737be266278e1899519c4760056de [0,1,0,0,0,1|0,0,2]=4 32 B9R0.53 CN(CC(=O)O)CC(=O)O 232ba4c1490720bda05df22b947a829b [0,1,0,0,0,1|0,0,2]=4 33 B9R0.24 COC(=O)CNC(=O)CO d176581f5d9690d46fec33f4e68508b3 [0,2,0,0,0,0|1,0,1]=4 34 B9R0.24 O=C(CNC(=O)CO)NO 638244c8eafd810beb185e51f5e2ab28 [0,2,0,0,0,0|1,0,1]=4 35 B9R0.48 CC(=O)/C=C/C(=O)NC#N b66085c9c673eda365a0e889030119aa [0,2,0,0,0,0|2,0,0]=4 36 B9R0.48 CC(=O)C=CC(=O)NC#N 3064aa8fee1bf323ec0dd0e42caec61c [0,2,0,0,0,0|2,0,0]=4 37 B9R0.48 N#CNC(=O)/C=C/C(=O)N 64a4614928d43e7ea46acf8179b06cb1 [0,2,0,0,0,0|2,0,0]=4 38 B9R0.48 N#CNC(=O)/C=C\C(=O)N deb95a884096749f5f55eebbde3e115b [0,2,0,0,0,0|2,0,0]=4 39 B9R0.48 N#CNC(=O)C=CC(=O)N 4bcf3ab5a854c4a5960a0a98a653de9a [0,2,0,0,0,0|2,0,0]=4 40 B9R0.55 O=C(O)CCNCC(=O)O 43f65cc1fd2997c2e3d09ce76b5140c2 [0,0,0,0,0,2|0,0,2]=4 41 B9R0.55 O=C(O)CCOCC(=O)O 4d49b71bab3c022809a84bb2137ebcf3 [0,0,0,0,0,2|0,0,2]=4