0  B4R0.1  C#C[C@H](C)O SPC-s670 [0,0,0,0,0,0|1,0,3]=4
1  B4R0.1  C#C[C@H](C)O SPC-t138 [0,0,0,0,0,0|1,0,3]=4
2  B4R0.1  CC(=O)CN SPC-t886 [0,0,0,0,0,0|1,0,1]=2
3  B4R0.1  NC(=O)CI SPC-s873 [0,0,0,0,0,0|2,0,1]=3
4  B3R0.2  CB(O)O SPC-j988 [1,0,0,0,0,0|1,0,2]=4
5  B5R0.3  C=C(CCl)CCl SPC-g310 [0,1,0,0,0,0|2,0,1]=4
6  B5R0.3  C=C(CO)CO SPC-g493 [0,1,0,0,0,0|1,0,2]=4
7  B5R0.4  C=C[Si](C)(C)C SPC-t167 [0,1,0,0,0,0|2,1,0]=4
8  B5R1.2  O=C1CCN1 SPC-t120 [0,0,0,1,0,0|2,0,0]=3
9  B5R1.2  O=C1CNC1 SPC-h722 [0,0,0,1,0,0|1,0,1]=3
10  B5R1.2  O=C1CSC1 SPC-a100 [0,0,0,1,0,0|0,1,1]=3
11  B4R0.2  C=CCCO SPC-t137 [1,1,0,0,0,0|1,0,1]=4
12  B6R0.1  CCOC(=O)C#N SPC-g163 [0,2,0,0,0,0|1,0,1]=4
13  B6R0.3  CC(C)C(=O)NN SPC-t733 [0,2,0,0,0,0|1,0,1]=4
14  B6R0.3  CC[C@@H](Br)C(=O)O SPC-t752 [0,2,0,0,0,0|1,0,1]=4
15  B6R0.3  CC[C@H](Br)C(=O)O SPC-t846 [0,2,0,0,0,0|1,0,1]=4
16  B6R0.3  CN[C@@H](C)C(=O)O SPC-s663 [0,2,0,0,0,0|1,0,1]=4
17  B6R0.3  CON(C)C(C)=O SPC-t100 [0,2,0,0,0,0|1,0,1]=4
18  B6R0.3  CO[C@@H](C)C(=O)O SPC-h233 [0,2,0,0,0,0|0,0,2]=4
19  B6R0.3  CO[C@@H](C)C(=O)O SPC-t778 [0,2,0,0,0,0|0,0,2]=4
20  B6R0.4  CC\C=C\C(=O)O SPC-t510 [0,2,0,0,0,0|2,0,0]=4
21  B6R0.5  CC(C)(C)CC=O SPC-v719 [0,2,0,0,0,0|1,0,1]=4
22  B6R0.7  CC(F)(F)C(=O)O SPC-u702 [0,2,0,0,0,0|1,0,1]=4
23  B6R1.2  CC1=CNC=C1 SPC-m068 [0,1,0,1,0,0|2,0,0]=4
24  B6R1.2  CC1=CNN=C1 SPC-n152 [0,1,0,1,0,0|2,0,0]=4
25  B6R1.2  CC1=COC=N1 SPC-n151 [0,1,0,1,0,0|1,0,1]=4
26  B6R1.2  CC1=CSC=N1 SPC-g112 [0,1,0,1,0,0|1,1,0]=4
27  B6R1.2  IC1=COCC1 SPC-t718 [0,1,0,1,0,0|1,0,1]=4
28  B6R1.2  O=C1C=CCC1 SPC-g207 [0,1,0,1,0,0|1,0,0]=3
29  B6R1.2  O=C1C=CCO1 SPC-t619 [0,1,0,1,0,0|1,0,0]=3
30  B6R1.2  O=C1C=CNN1 SPC-p382 [0,1,0,1,0,0|2,0,0]=4
31  B6R1.2  O=C1CCNC1 SPC-g182 [0,1,0,1,0,0|1,0,1]=4
32  B6R1.2  O=C1CCOC1 SPC-g234 [0,1,0,1,0,0|0,0,2]=4
33  B6R1.5  CC1CC(=O)C1 SPC-n075 [0,1,0,1,0,0|1,0,1]=4
34  B6R1.5  CN1CC(=O)C1 SPC-i955 [0,1,0,1,0,0|1,0,1]=4
35  B6R1.5  CN1CC(=O)C1 SPC-p044 [0,1,0,1,0,0|1,0,1]=4
36  B6R1.5  NC1CC(=O)C1 SPC-g768 [0,1,0,1,0,0|1,0,1]=4
37  B6R1.5  O=C1CC(Br)C1 SPC-i596 [0,1,0,1,0,0|1,0,1]=4
38  B6R1.11  NC(=O)C1CC1 SPC-t155 [0,1,0,1,0,0|1,0,1]=4
39  B6R1.4  C[C@@H]1OCC1=O SPC-p252 [0,1,0,1,0,0|0,0,2]=4
40  B6R1.4  N[C@@H]1CNC1=O SPC-u597 [0,1,0,1,0,0|1,0,1]=4
41  B6R1.4  N[C@H]1CNC1=O SPC-s686 [0,1,0,1,0,0|1,0,1]=4
42  B6R1.4  O=C1CC[C@@H]1Br SPC-u765 [0,1,0,1,0,0|1,0,1]=4
43  B6R1.6  O=CC1COC1 SPC-r007 [0,1,0,1,0,0|0,0,2]=4