0  B5R0.1  CC(=O)NC#N 96e7b4266c4f58edb3348aa5d4644bfa [0,1,0,0,0,0|2,0,0]=3
1  B5R0.1  CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [0,1,0,0,0,0|2,0,1]=4
2  B5R0.1  CCOC(C)C e40579e838af0384b34ea3d488054b89 [0,1,0,0,0,0|2,0,1]=4
3  B5R0.3  CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [0,1,0,0,0,0|3,0,0]=4
4  B5R0.3  CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [0,1,0,0,0,0|3,0,0]=4
5  B4R0.2  N#CNC=O 59e0103a779e5b0a13a338a320bd9101 [1,1,0,0,0,0|2,0,0]=4
6  B6R0.1  C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,2,0,0,0,0|1,0,1]=4
7  B6R0.1  C=C(C=O)OCF d1643e67cfe1838c4e32b694bc3648e2 [0,2,0,0,0,0|1,0,1]=4
8  B6R0.1  CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [0,2,0,0,0,0|1,0,1]=4
9  B6R0.1  CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [0,2,0,0,0,0|1,0,1]=4
10  B6R0.1  CCC(=O)NC#N 73537d427a9f3c7ed521fc0320b94de6 [0,2,0,0,0,0|2,0,0]=4
11  B6R0.1  CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,2,0,0,0,0|1,0,1]=4
12  B6R0.1  CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,2,0,0,0,0|2,0,0]=4
13  B6R0.1  C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [0,2,0,0,0,0|1,0,1]=4
14  B6R0.1  C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [0,2,0,0,0,0|1,0,1]=4
15  B6R0.1  N#CNC(=O)CF 68c7bbf575858d00ec753fd2b8317ca7 [0,2,0,0,0,0|2,0,0]=4
16  B6R0.1  N#CNC(=O)CO 236f04c3f08af6bcd8e67780d27f25bf [0,2,0,0,0,0|1,0,1]=4
17  B6R0.3  CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,2,0,0,0,0|2,0,0]=4
18  B6R0.4  C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [0,2,0,0,0,0|2,0,0]=4
19  B6R0.4  C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [0,2,0,0,0,0|2,0,0]=4
20  B6R0.4  C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [0,2,0,0,0,0|2,0,0]=4
21  B6R0.4  C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [0,2,0,0,0,0|2,0,0]=4
22  B6R0.4  CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,2,0,0,0,0|1,0,1]=4
23  B6R0.4  CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,2,0,0,0,0|2,0,0]=4
24  B6R0.4  CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,2,0,0,0,0|1,0,0]=3
25  B6R0.4  CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,2,0,0,0,0|1,0,0]=3
26  B6R0.4  CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [0,2,0,0,0,0|2,0,0]=4
27  B6R0.4  CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,2,0,0,0,0|2,0,0]=4
28  B6R0.4  CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,2,0,0,0,0|2,0,0]=4
29  B6R0.4  CC(=O)NCCI baf3590450994f173452759880fb646a [0,2,0,0,0,0|2,0,0]=4
30  B6R0.4  CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,2,0,0,0,0|1,0,0]=3
31  B6R0.4  CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,2,0,0,0,0|1,1,0]=4
32  B6R0.4  CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,2,0,0,0,0|2,0,0]=4
33  B6R0.4  CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,2,0,0,0,0|2,0,0]=4
34  B6R0.4  CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,2,0,0,0,0|1,0,0]=3
35  B6R0.4  CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,2,0,0,0,0|2,0,0]=4
36  B6R0.4  CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,2,0,0,0,0|2,0,0]=4
37  B6R0.4  COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [0,2,0,0,0,0|1,0,1]=4
38  B6R0.4  NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [0,2,0,0,0,0|2,0,0]=4
39  B6R0.4  NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [0,2,0,0,0,0|2,0,0]=4
40  B6R0.4  O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,2,0,0,0,0|2,0,0]=4
41  B6R0.4  O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,2,0,0,0,0|2,0,0]=4