0 B11R1.83 COC1=NC=C(CC#N)C=C1 81757 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.1 OC1=CC=C(CCF)C=C1 W16630 [1,0,0,0,0,0|1,0,1]=3 2 B10R1.3 COC1=CN=C(C=O)N=C1 P10965 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.3 COC1=NN=C(C=O)C=C1 P20548 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13086 [0,1,0,0,0,0|0,0,2]=3 5 B12R1.5 CC[C@H](N)C1=CN=C(OC)C=C1 D96415 [0,1,0,0,0,0|1,0,2]=4 6 B12R1.71 COC1=CC=C(CCCCl)C=C1 D75832 [0,1,0,0,0,0|0,0,2]=3 7 B12R2.44 COC1=CN=C2C=CNC2=C1 P11558 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.1 C=CC1=CN=C(Br)C=C1 68606 [2,0,0,0,0,0|2,0,0]=4 9 B9R1.1 C=CC1=CNC(=O)C=C1 W19299 [2,0,0,0,0,0|1,0,1]=4 10 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 O10873 [1,1,0,0,0,0|0,0,1]=3 11 B11R1.22 CN[C@@H](C)C1=CC=C(C)C=C1 Y13931 [1,1,0,0,0,0|1,0,1]=4 12 B11R1.192 C=CCC1=CC(O)=C(O)C=C1 A11902 [1,1,0,0,0,0|0,0,0]=2 13 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 C76094 [1,1,0,0,0,0|2,0,0]=4 14 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 90832 [1,1,0,0,0,0|1,0,1]=4 15 B11R1.279 COC1=C(Cl)C=C(CCl)N=C1 79209 [1,1,0,0,0,0|2,0,0]=4 16 B11R1.279 COC1=NC(C)=C(CN)C=C1 Y14150 [1,1,0,0,0,0|2,0,0]=4 17 B13R1.95 CC[C@H](N)C1=C(O)C=C(OC)C=C1 Y13687 [0,2,0,0,0,0|0,0,2]=4 18 B13R1.95 CC[C@H](N)C1=C(O)C=C(OC)C=C1 Y13688 [0,2,0,0,0,0|0,0,2]=4 19 B13R1.95 CC[C@H](N)C1=C(O)C=C(OC)C=C1 Y14528 [0,2,0,0,0,0|0,0,2]=4 20 B13R1.95 COC1=CC(Cl)=C([C@@H](N)CO)C=C1 Y12299 [0,2,0,0,0,0|1,0,1]=4 21 B13R1.95 COC1=CC(Cl)=C([C@@H](N)CO)C=C1 Y12300 [0,2,0,0,0,0|1,0,1]=4 22 B13R1.139 CCOC1=CC=C([C@H](C)NC)C=C1 Y13618 [0,2,0,0,0,0|1,0,1]=4 23 B13R1.139 CCOC1=CC=C([C@H](C)NC)C=C1 Y14156 [0,2,0,0,0,0|1,0,1]=4 24 B13R1.187 COC1=CC=C([C@@](C)(N)CO)C=C1 Y14029 [0,2,0,0,0,0|1,0,1]=4 25 B13R1.3088 C=C[C@H](N)C1=CC(O)=C(OC)C=C1 Y13829 [0,2,0,0,0,0|0,0,0]=2 26 B13R1.3088 C=C[C@H](N)C1=CC(O)=C(OC)C=C1 Y13830 [0,2,0,0,0,0|0,0,0]=2 27 B13R1.3088 C=C[C@H](N)C1=CC(O)=C(OC)C=C1 Y14323 [0,2,0,0,0,0|0,0,0]=2 28 B13R1.3088 CC[C@H](N)C1=CC(O)=C(OC)C=C1 Y13751 [0,2,0,0,0,0|0,0,2]=4 29 B13R1.3088 CC[C@H](N)C1=CC(O)=C(OC)C=C1 Y13801 [0,2,0,0,0,0|0,0,2]=4 30 B13R1.3088 CC[C@H](N)C1=CC(O)=C(OC)C=C1 Y14319 [0,2,0,0,0,0|0,0,2]=4 31 B13R1.3088 COC1=C(O)C=C([C@@H](N)CO)C=C1 Y13816 [0,2,0,0,0,0|1,0,1]=4 32 B13R1.3088 COC1=C(O)C=C([C@@H](N)CO)C=C1 Y13817 [0,2,0,0,0,0|1,0,1]=4 33 B13R1.3088 COC1=C(O)C=C([C@@H](N)CO)C=C1 Y14027 [0,2,0,0,0,0|1,0,1]=4 34 B13R1.3 COC1=CC=C(\C=C\B(O)O)C=C1 D76970 [0,2,0,0,0,0|1,0,1]=4 35 B11R2.36 CC1=CC2=C(C=C1)SC=N2 AT10317 [1,0,0,1,0,0|2,0,0]=4 36 B11R2.36 OC1=CC2=C(C=C1)COC2 D78662 [1,0,0,1,0,0|1,0,1]=4 37 B13R2.2121 COC1=NC=C2NC(C)=CC2=C1 C71339 [0,1,0,1,0,0|2,0,0]=4 38 B13R2.185 COC1=CC=C(C2CNC2)C=C1 85604 [0,1,0,1,0,0|0,0,2]=4 39 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CC2 Y14788 [0,1,0,1,0,0|0,0,2]=4 40 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CC2 Y14789 [0,1,0,1,0,0|0,0,2]=4 41 B13R2.57 COC1=CC2=C(C=C1)SCNC2 83461 [0,1,0,1,0,0|1,0,1]=4 42 B13R2.669 COC1=CC2=C(C=C1)CC[C@@H]2N Y13698 [0,1,0,1,0,0|0,0,2]=4 43 B13R2.654 COC1=CC(Br)=C2N=CNC2=C1 W19592 [0,1,0,1,0,0|2,0,0]=4 44 B13R2.449 OCCC1=CC2=C(C=C1)SC=C2 H11183 [0,1,0,1,0,0|2,0,0]=4 45 B13R2.84 COC1=C(N)C2=C(C=C1)NC=C2 W19281 [0,1,0,1,0,0|1,0,0]=3 46 B13R2.84 COC1=C(O)C2=C(C=C1)NC=C2 F18136 [0,1,0,1,0,0|1,0,0]=3