0 B8R1.8 CNCC1=NC=CO1 66406 [0,0,0,0,0,0|3,1,0]=4 1 B8R1.8 COCC1=NNC=C1 AC8210 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 NCCC1=CN=CS1 S10751 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.1 NCC1=CON=C1 H10991 [1,0,0,0,0,0|3,0,0]=4 4 B7R1.1 OCC1=NSC=C1 AT21123 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.7 CC1=NC=C(CCO)S1 D96356 [0,1,0,0,0,0|2,0,0]=3 6 B9R1.11 CC[C@H](N)C1=CSC=N1 Y11505 [0,1,0,0,0,0|3,0,0]=4 7 B9R1.11 N[C@@H](CO)C1=CC=CO1 Y13914 [0,1,0,0,0,0|1,1,0]=3 8 B9R1.11 N[C@@H](CO)C1=CC=CO1 Y13915 [0,1,0,0,0,0|1,1,0]=3 9 B9R1.13 C[C@H](N)CC1=CSC=C1 89731 [0,1,0,0,0,0|2,0,0]=3 10 B9R2.3 C1=CC2=C(N1)SC=C2 C74294 [0,0,0,1,0,0|2,0,1]=4 11 B9R2.3 C1=CC2=CSC=C2S1 F19736 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.8 CCNC1=CC=CN=N1 79166 [0,0,0,0,0,1|3,0,0]=4 13 B9R1.8 CSCC1=NC=CC=C1 W19655 [0,0,0,0,0,1|3,0,0]=4 14 B9R1.8 N#CCC1=NN=CC=C1 88651 [0,0,0,0,0,1|1,0,2]=4 15 B9R1.8 NNCC1=CC=NC=C1 78931 [0,0,0,0,0,1|2,0,0]=3 16 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 78723 [0,0,0,0,0,1|3,0,0]=4 17 B8R1.1 CC1=CSC(CN)=N1 C11625 [1,1,0,0,0,0|1,0,0]=3 18 B8R1.1 CC1=NC=C(CN)O1 C72631 [1,1,0,0,0,0|1,1,0]=4 19 B8R1.1 CCC1=CN=C(N)S1 C13826 [1,1,0,0,0,0|1,0,0]=3 20 B8R1.1 COC1=CN=C(N)S1 F14523 [1,1,0,0,0,0|2,0,0]=4 21 B8R1.1 NCC1=CC=C(F)S1 38845 [1,1,0,0,0,0|0,0,0]=2 22 B8R1.1 NCC1=NC=C(Cl)S1 W17904 [1,1,0,0,0,0|1,0,0]=3 23 B8R1.1 NCC1=NN=C(Br)S1 86223 [1,1,0,0,0,0|2,0,0]=4 24 B8R1.1 NCC1=NNC(F)=C1 P19970 [1,1,0,0,0,0|2,0,0]=4 25 B8R1.1 OCC1=CC=C(F)S1 83085 [1,1,0,0,0,0|1,0,0]=3 26 B8R1.7 C[C@H](N)C1=CC=CO1 Y14798 [1,1,0,0,0,0|0,1,0]=3 27 B8R1.7 C[C@H](N)C1=CC=CS1 Y14840 [1,1,0,0,0,0|0,0,0]=2 28 B8R1.7 C[C@H](N)C1=COC=C1 D81573 [1,1,0,0,0,0|2,0,0]=4 29 B8R1.7 C[C@H](N)C1=NNC=C1 AT26569 [1,1,0,0,0,0|2,0,0]=4 30 B8R1.11 CCN1N=CC=C1O AT26527 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.1 OC1=CC=C(CCF)C=C1 W16630 [0,1,0,0,0,1|2,0,0]=4 32 B10R1.10 CC1=NC=CC(CCN)=C1 78539 [0,1,0,0,0,1|1,0,0]=3 33 B10R1.10 NCCC1=CC(F)=CN=C1 P21102 [0,1,0,0,0,1|1,0,0]=3 34 B10R1.10 OCCC1=CC(F)=CN=C1 P21101 [0,1,0,0,0,1|2,0,0]=4 35 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72624 [0,1,0,0,0,1|2,0,0]=4 36 B10R1.17 NNCCC1=CC=CC=C1 74134 [0,1,0,0,0,1|1,0,0]=3 37 B10R1.11 CCC[C@H](N)C1=CC=CS1 Y13697 [0,2,0,0,0,0|1,0,0]=3 38 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 86778 [0,0,0,1,0,1|1,0,0]=3 39 B10R2.2 ClC1=NC2=C(CCC2)S1 AC1573 [0,1,0,1,0,0|2,0,0]=4 40 B10R2.32 O=C1NCC2=C1C=CS2 94719 [0,1,0,1,0,0|1,0,1]=4