0  B11R1.267  COC1=C(Cl)C(CN)=CC=C1 78920 [0,0,0,0,0,0|3,0,0]=3
1  B11R1.267  COC1=C(F)C(CO)=CC=C1 W18563 [0,0,0,0,0,0|3,0,0]=3
2  B11R1.267  N#CC1=CC=CC(C=O)=C1O Y14731 [0,0,0,0,0,0|4,0,0]=4
3  B10R1.2  CC1=CC=CC(CCl)=C1F E70216 [1,0,0,0,0,0|3,0,0]=4
4  B10R1.2  CCC1=NC=CC(C)=C1N 60037 [1,0,0,0,0,0|3,0,0]=4
5  B10R1.2  CNC1=C(N)C(C)=CC=C1 C76359 [1,0,0,0,0,0|2,0,0]=3
6  B10R1.2  COC1=C(Br)C(Cl)=CC=N1 C71753 [1,0,0,0,0,0|3,0,0]=4
7  B10R1.2  COC1=C(Br)C(F)=CC=N1 P12279 [1,0,0,0,0,0|3,0,0]=4
8  B10R1.2  COC1=C(F)C(F)=NC=C1 D79419 [1,0,0,0,0,0|3,0,0]=4
9  B10R1.2  COC1=CN=CC(Br)=C1N D84818 [1,0,0,0,0,0|3,0,0]=4
10  B10R1.2  NCC1=CC=CC(O)=C1O D96331 [1,0,0,0,0,0|2,0,0]=3
11  B10R1.172  CCC1=CC=CC(NC)=N1 C77377 [1,0,0,0,0,0|3,0,0]=4
12  B12R1.440  COC1=C(Cl)C([C@H](C)N)=CC=C1 Y13243 [0,1,0,0,0,0|2,0,0]=3
13  B12R1.440  COC1=C(F)C([C@H](C)N)=CC=C1 Y10290 [0,1,0,0,0,0|2,0,0]=3
14  B12R1.440  COC1=C(F)C([C@H](C)N)=CC=C1 Y11549 [0,1,0,0,0,0|2,0,0]=3
15  B12R1.440  COC1=C(F)C([C@H](C)N)=CC=C1 Y12980 [0,1,0,0,0,0|2,0,0]=3
16  B12R1.1879  CSC1=CC=CC(SC)=C1C=O 79319 [0,1,0,0,0,0|0,2,1]=4
17  B12R2.315  COC1=C2NCCC2=CC=C1 Y14696 [0,0,0,1,0,0|2,0,0]=3
18  B12R2.315  COC1=C2OC=CC2=CC=N1 P10785 [0,0,0,1,0,0|2,0,1]=4
19  B9R1.3  NC1=CC=CC(O)=C1I 79304 [2,0,0,0,0,0|2,0,0]=4
20  B11R1.13  CCCC1=CC=CC(O)=C1O D82476 [1,1,0,0,0,0|1,0,0]=3
21  B11R1.72  COC1=C(N)C=CC(Br)=C1F AT10284 [1,1,0,0,0,0|2,0,0]=4
22  B11R1.159  CC(=O)C1=C(Br)C(C)=CC=C1 D82779 [1,1,0,0,0,0|2,0,0]=4
23  B11R1.278  COC1=C(N)C(C)=C(Br)C=C1 68945 [1,1,0,0,0,0|1,0,0]=3
24  B11R1.266  COC1=NC([C@H](C)N)=CC=C1 Y12185 [1,1,0,0,0,0|2,0,0]=4
25  B11R1.266  COC1=NC=CC([C@H](C)N)=C1 32100 [1,1,0,0,0,0|2,0,0]=4
26  B13R1.82  COC(=O)C1=C(Cl)C(OC)=CC=N1 P19802 [0,2,0,0,0,0|2,0,0]=4
27  B13R1.2356  COC1=C(C(=O)O)C(C=O)=CC=C1 AB15372 [0,2,0,0,0,0|2,0,0]=4
28  B11R2.106  IC1=C2OCCC2=CC=C1 W19055 [1,0,0,1,0,0|2,0,0]=4
29  B11R2.106  NC1=CC=CC2=C1CCO2 Y11109 [1,0,0,1,0,0|2,0,0]=4
30  B11R2.106  OC1=CC=CC2=C1C=CO2 53817 [1,0,0,1,0,0|1,0,1]=4
31  B13R2.623  O=CC1=C2OCOC2=CC(Br)=C1 D79774 [0,1,0,1,0,0|2,0,0]=4
32  B13R2.84  COC1=C(O)C2=C(C=C1)NC=C2 F18136 [0,1,0,1,0,0|1,0,1]=4
33  B13R2.611  COC1=C2OCCC2=C(Br)C=C1 D96686 [0,1,0,1,0,0|1,0,0]=3