0 B10R1.61 CC1=CC=CN=C1[C@@H](C)O CS-0266895 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 C=C(F)C1=CC=CC=C1 CS-0454967 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.6 C[C@H](N)C1=CC=CC=C1 CS-0434925 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0902642 [1,0,0,0,0,0|0,0,1]=2 4 B11R1.159 CC1=C(Cl)C=CN=C1C(=O)O CS-0210567 [0,1,0,0,0,0|2,0,0]=3 5 B11R1.159 O=C(O)C1=NC=CC(F)=C1O CS-0634586 [0,1,0,0,0,0|1,0,0]=2 6 B11R1.159 O=C(O)C1=NC=CC(I)=C1F CS-0343543 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.166 CC(=O)C1=C(Cl)N=C(C)C=C1 CS-0666087 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.166 NC(=O)C1=C(Br)C=C(Br)C=N1 CS-0733898 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.166 NC1=CN=C(C(=O)O)C(Cl)=N1 CS-0533806 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.167 CN1C=CC(=O)C(C(N)=O)=C1 CS-0062330 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.167 O=C([O-])C1=C(F)C=CC(Cl)=C1 CS-0445802 [0,1,0,0,0,0|1,0,1]=3 12 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 CS-1195430 [0,1,0,0,0,0|2,0,1]=4 13 B8R1.2 O=CC1=CC=NN=C1 CS-W023111 [2,0,0,0,0,0|2,0,0]=4 14 B8R1.5 OC1=C(S)C=CC=C1 CS-0010969 [2,0,0,0,0,0|0,1,0]=3 15 B10R1.113 NC(=O)C1=CC(F)=NC=C1 CS-0375697 [1,1,0,0,0,0|2,0,0]=4 16 B10R1.2 CC1=C(Cl)C=CN=C1C=O CS-0668257 [1,1,0,0,0,0|2,0,0]=4 17 B10R1.25 CC1=CC(C)=C(C=O)N=C1 CS-0195749 [1,1,0,0,0,0|2,0,0]=4 18 B10R1.25 N#CC1=CC=C(I)C=C1O CS-0108656 [1,1,0,0,0,0|1,0,1]=4 19 B10R1.25 NC1=CC(I)=CC=C1C=O CS-0568411 [1,1,0,0,0,0|1,0,0]=3 20 B10R1.25 NC1=NC(F)=CC=C1C=O CS-0895662 [1,1,0,0,0,0|2,0,0]=4 21 B10R1.25 O=C1C=C(O)C(CO)=CN1 CS-0201384 [1,1,0,0,0,0|1,0,1]=4 22 B10R1.25 OCC1=CC=C(F)C=C1O CS-0378127 [1,1,0,0,0,0|0,0,1]=3 23 B10R1.245 CC1=C(C#N)C(O)=CC=C1 CS-W023067 [1,1,0,0,0,0|1,0,1]=4 24 B12R1.75 O=CC1=CC=CC=C1CC(=O)O CS-M2515 [0,1,0,0,0,1|0,0,1]=3 25 B12R1.127 NC(=O)NC1=CC(Cl)=CC=C1Cl CS-0911540 [0,1,0,0,0,1|2,0,0]=4 26 B12R1.87 CNC1=C(F)C=CC=C1C(N)=O CS-0232126 [0,2,0,0,0,0|2,0,0]=4 27 B12R1.87 COC1=C(C)N=CN=C1C(=O)O CS-0634597 [0,2,0,0,0,0|2,0,0]=4 28 B12R1.87 COC1=C(N)C=CC=C1C(C)=O CS-0567132 [0,2,0,0,0,0|1,0,0]=3 29 B12R1.437 CCC1=CC=CC(C)=C1C(=O)O CS-0449958 [0,2,0,0,0,0|1,0,0]=3 30 B12R1.440 CC(=O)C1=C(C)C(C#N)=CC=C1 CS-0615118 [0,2,0,0,0,0|2,0,0]=4 31 B12R1.440 NC(=O)C1=CC=CC(C=O)=C1F CS-0897380 [0,2,0,0,0,0|2,0,0]=4 32 B12R1.511 CC1=CC(C(=O)O)=C(C)C(O)=C1 CS-0450377 [0,2,0,0,0,0|1,0,0]=3 33 B12R1.893 CC1=C(O)C(O)=CC=C1C(=O)O CS-M3469 [0,2,0,0,0,0|1,0,0]=3 34 B12R1.893 NC1=CC=C(C(=O)O)C(Cl)=C1F CS-0441223 [0,2,0,0,0,0|1,0,0]=3 35 B12R1.232 O=C(O)C1=C(O)N=C(O)C(Cl)=C1 CS-0214509 [0,2,0,0,0,0|1,0,0]=3 36 B12R1.354 COC(=O)C1=C(Br)C=CC(F)=N1 CS-0455164 [0,2,0,0,0,0|2,0,0]=4 37 B12R1.354 COC(=O)C1=C(C)C=CC(=O)N1 CS-0752864 [0,2,0,0,0,0|2,0,0]=4 38 B12R1.354 COC(=O)C1=NC(F)=CC=C1O CS-0564875 [0,2,0,0,0,0|1,0,0]=3 39 B12R1.453 N#CC1=CN=C(Cl)C(C(=O)O)=C1 CS-0473850 [0,2,0,0,0,0|2,0,0]=4 40 B10R1.66 O=C(O)C#CC1=CC=CO1 CS-0122134 [0,0,1,1,0,0|0,0,2]=4 41 B12R2.24 OC1=NC2=CC=CC=C2N=C1 CS-1009276 [0,0,0,1,0,1|2,0,0]=4 42 B12R2.202 NC1=NC2=C(Br)C=CC=C2O1 CS-0042141 [0,0,0,1,0,1|2,0,0]=4 43 B12R2.202 O=C1CC2=C(N1)C(O)=CC=C2 CS-0569647 [0,0,0,1,0,1|1,0,0]=3 44 B12R2.132 O=C1OCC2=C1C=C(Cl)N=C2 CS-0566944 [0,1,0,1,0,0|2,0,0]=4 45 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=N1 CS-0560426 [0,0,0,0,0,2|2,0,0]=4