0  B3R0.2  CC(=O)Br ACT03135 [0,0,0,0,0,0|2,1,0]=3
1  B3R0.2  CC(=O)[S-] ACT05622 [0,0,0,0,0,0|2,0,1]=3
2  B3R0.2  CC(C)S ACT06230 [0,0,0,0,0,0|2,0,2]=4
3  B3R0.2  CC(C)[CH2-] ACT07636 [0,0,0,0,0,0|3,0,1]=4
4  B3R0.2  CP(C)C ACT08935 [0,0,0,0,0,0|4,0,0]=4
5  B3R0.2  P(Br)(Br)Br ACT03432 [0,0,0,0,0,0|4,0,0]=4
6  B2R0.1  CC#N ACT03992 [1,0,0,0,0,0|1,0,2]=4
7  B2R0.1  CCI ACT05467 [1,0,0,0,0,0|2,0,1]=4
8  B2R0.1  CSC ACT08194 [1,0,0,0,0,0|3,0,0]=4
9  B4R0.1  C(=O)(N)NO ACT02611 [0,1,0,0,0,0|0,1,0]=2
10  B4R0.1  C(=O)C(=O)O ACT06826 [0,1,0,0,0,0|2,1,0]=4
11  B4R0.1  C(C(=N)N)N ACT10088 [0,1,0,0,0,0|1,0,0]=2
12  B4R0.1  C(C(=O)Br)Br ACT03212 [0,1,0,0,0,0|2,1,0]=4
13  B4R0.1  C(C(=O)O)Br ACT01771 [0,1,0,0,0,0|2,1,0]=4
14  B4R0.1  CC(=C)CBr ACT08856 [0,1,0,0,0,0|3,0,0]=4
15  B4R0.1  CC(=N)OC ACT09196 [0,1,0,0,0,0|1,1,1]=4
16  B4R0.1  CC(=O)C#C ACT08607 [0,1,0,0,0,0|2,1,0]=4
17  B4R0.1  CC(=O)CCl ACT09266 [0,1,0,0,0,0|2,1,0]=4
18  B4R0.1  CC(=O)SC ACT06385 [0,1,0,0,0,0|2,0,1]=4
19  B4R0.1  CC=C(C)Br ACT12017 [0,1,0,0,0,0|3,0,0]=4
20  B4R0.1  C[C@@H](CN)N ACT04807 [0,1,0,0,0,0|1,0,1]=3
21  B4R0.1  C[C@H](CN)N ACT06789 [0,1,0,0,0,0|1,0,1]=3
22  B1R0.1  CI ACT10179 [2,0,0,0,0,0|1,0,1]=4
23  B1R0.1  [C-]#N ACT09415 [2,0,0,0,0,0|0,0,2]=4
24  B3R0.1  C#CCN ACT03245 [1,1,0,0,0,0|1,0,1]=4
25  B3R0.1  C=CCS ACT06237 [1,1,0,0,0,0|1,0,1]=4
26  B5R0.1  C(CN)C(=O)N ACT05141 [0,2,0,0,0,0|0,1,0]=3
27  B5R0.1  C(CN)C(=O)O ACT04890 [0,2,0,0,0,0|1,1,0]=4
28  B5R0.1  CC(=CC#N)N ACT07325 [0,2,0,0,0,0|1,0,1]=4
29  B5R0.1  CNCC(=O)O ACT04970 [0,2,0,0,0,0|1,1,0]=4
30  B5R0.3  COC(=O)CN ACT08376 [0,2,0,0,0,0|1,1,0]=4
31  B5R0.5  CC(C(=O)O)N ACT07794 [0,2,0,0,0,0|1,1,0]=4
32  B5R0.5  C[C@@H](C(=O)N)N ACT03139 [0,2,0,0,0,0|0,1,0]=3
33  B5R0.5  C[C@H](C(=O)N)N ACT10902 [0,2,0,0,0,0|0,1,0]=3
34  B5R0.5  C[C@H](C(=O)O)N ACT07928 [0,2,0,0,0,0|1,1,0]=4