0  B5R0.3  CNC(=O)CBr ALBB-012802 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.3  COC(C)C#N ALBB-022339 [0,0,0,0,0,0|2,0,2]=4
2  B5R0.3  COC(C)CN ALBB-009407 [0,0,0,0,0,0|2,0,2]=4
3  B4R0.1  CCC(=N)N ALBB-033342 [1,0,0,0,0,0|3,0,0]=4
4  B6R0.1  CCOC(=N)CC ALBB-022391 [0,1,0,0,0,0|1,0,2]=4
5  B6R0.1  CCOC(=N)CCl ALBB-022622 [0,1,0,0,0,0|2,0,1]=4
6  B6R0.1  CNCC(=O)NN ALBB-014329 [0,1,0,0,0,0|3,0,0]=4
7  B6R0.1  COC(=O)CCO ALBB-013447 [0,1,0,0,0,0|0,0,2]=3
8  B6R0.1  COC\C(N)=N/O ALBB-031514 [0,1,0,0,0,0|3,0,0]=4
9  B6R0.3  CN(C)C(=O)CBr ALBB-019167 [0,1,0,0,0,0|2,0,1]=4
10  B6R0.3  CN(C)C(=O)CO ALBB-012333 [0,1,0,0,0,0|2,0,1]=4
11  B6R0.3  CN(C)C(=O)NN ALBB-013476 [0,1,0,0,0,0|3,0,0]=4
12  B6R0.3  COC(=N)C(C)C ALBB-017817 [0,1,0,0,0,0|1,0,2]=4
13  B6R0.3  COC(C)C(=O)O ALBB-019163 [0,1,0,0,0,0|2,0,1]=4
14  B6R1.2  BrC1=CC=NN1 ALBB-022824 [0,0,0,1,0,0|3,0,0]=4
15  B6R1.2  O=C1NC=CN1 ALBB-023528 [0,0,0,1,0,0|2,0,1]=4
16  B5R0.1  COCC(N)=S ALBB-031235 [1,1,0,0,0,0|1,1,0]=4
17  B5R0.1  NC(=O)CCO ALBB-027682 [1,1,0,0,0,0|2,0,0]=4
18  B7R0.2  CNC(=O)CC(=O)O ALBB-009534 [0,2,0,0,0,0|1,0,1]=4
19  B7R0.5  CCOC(=O)N(C)N ALBB-022260 [0,2,0,0,0,0|1,0,1]=4
20  B7R0.10  CNC(=O)\C(N)=N\O ALBB-018583 [0,2,0,0,0,0|2,0,0]=4
21  B7R0.10  CNC(C)C(=O)OC ALBB-018696 [0,2,0,0,0,0|0,0,2]=4
22  B5R1.2  C=C1CCC1 ALBB-035089 [1,0,0,1,0,0|2,0,0]=4
23  B7R1.1  CCC1=NNC=C1 ALBB-016439 [0,1,0,1,0,0|2,0,0]=4
24  B7R1.1  COC1=NN=CS1 ALBB-016546 [0,1,0,1,0,0|1,1,0]=4
25  B7R1.2  CC1=CC=C(N)S1 ALBB-009273 [0,1,0,1,0,0|1,1,0]=4
26  B7R1.2  CC1=NN(C)C=C1 ALBB-004441 [0,1,0,1,0,0|2,0,0]=4
27  B7R1.2  CC1=NOC(=O)N1 ALBB-032735 [0,1,0,1,0,0|1,0,1]=4
28  B7R1.2  CC1CNC(=O)O1 ALBB-022254 [0,1,0,1,0,0|1,0,1]=4
29  B7R1.2  NC1=CC(O)=NO1 ALBB-022834 [0,1,0,1,0,0|2,0,0]=4
30  B7R1.2  O=C1CNC(=O)C1 ALBB-030115 [0,1,0,1,0,0|1,0,1]=4
31  B7R1.2  O=C1NC(=S)CS1 ALBB-028937 [0,1,0,1,0,0|1,1,0]=4
32  B7R1.4  CC1=CN=CN1C ALBB-032111 [0,1,0,1,0,0|2,0,0]=4
33  B7R1.4  CC1=CNNC1=O ALBB-030475 [0,1,0,1,0,0|2,0,0]=4
34  B7R1.4  CN1N=CC=C1Br ALBB-022295 [0,1,0,1,0,0|2,0,0]=4
35  B7R1.22  COC(=O)C1CN1 ALBB-031806 [0,1,0,1,0,0|0,0,2]=4