0 B11R1.3 CCC1=CC=C(C(C)N)C=C1 Q-018484 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.3 CN(C)C1=CC=C(CN)C=C1 POD_19/0399 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 F-502322 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.3 CCC1=CC=C(CN)C=C1 F-452455 [1,0,0,0,0,0|1,0,1]=3 4 B10R1.3 CSC1=CC=C(C#N)C=C1 F-453394 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.3 CSC1=CC=C(CN)C=C1 F-452459 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.3 N#CC1=CC=C(CN)C=C1 F-368585 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 F-415537 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 Q-004186 [0,1,0,0,0,0|3,0,0]=4 9 B12R1.48 COC1=C(C)C=C(C(C)N)C=C1 F-361389 [0,1,0,0,0,0|3,0,0]=4 10 B12R1.48 COC1=C(Cl)C=C(C(C)N)C=C1 F-361401 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.48 COC1=C(Cl)C=C(C(C)O)C=C1 F-396294 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.48 COC1=C(F)C=C(C(C)O)C=C1 F-367163 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 Q-004183 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 Q-018633 [0,1,0,0,0,0|1,0,1]=3 15 B12R1.452 CN(C)C1=C(N)C=C(C#N)C=C1 F-349286 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.452 CN(C)C1=CC=C(CO)C=C1N F-369352 [0,1,0,0,0,0|1,0,2]=4 17 B12R1.452 COC1=CC=C(N(C)C)C(N)=C1 F-432306 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.31 CC(=O)C1=CC(C=O)=CN1 F-453458 [0,0,0,0,1,0|2,0,1]=4 19 B10R1.31 CC(C)C1=CNC(C#N)=C1 F-453624 [0,0,0,0,1,0|2,0,1]=4 20 B10R1.31 CC(C)C1=CNC(C=O)=C1 F-453613 [0,0,0,0,1,0|1,0,0]=2 21 B12R1.4 CC(C)NC1=CC=C(C#N)C=C1 F-332573 [0,0,0,0,0,1|1,0,1]=3 22 B12R1.4 CC(C)OC1=CC=C(C#N)C=C1 F-393267 [0,0,0,0,0,1|1,0,1]=3 23 B9R1.6 CC(N)C1=CC=NC=C1 Q-019938 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.6 CC(N)C1=CN=CC=C1 F-203581 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.6 CC(N)C1=NC=CC=C1 F-206695 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.83 CCNC1=CC=C(OC)C=C1 C-086047 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.21 CC(C)C1=CC=C(N)C(S)=C1 F-495549 [1,1,0,0,0,0|1,0,0]=3 28 B11R1.21 CC(N)C1=CC(Cl)=C(O)C=C1 F-396304 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.21 CC(N)C1=CC(F)=C(N)C=C1 F-331988 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.21 CC(O)C1=CC(Cl)=C(O)C=C1 F-396293 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.21 CC(O)C1=CC(F)=C(F)C=C1 F-367198 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.21 CC(O)C1=CC(F)=C(N)C=C1 F-367167 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 F-203572 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.22 CCN(C)C1=CC=C(N)C=C1 F-443461 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.166 CC1=C(N(C)C)C=CC(N)=C1 F-432298 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.166 CC1=CC=C(N(C)C)C(N)=C1 F-432307 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.166 CN(C)C1=C(Br)C=C(I)C=C1 F-443421 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.166 CN(C)C1=C(N)C=C(Cl)C=C1 F-432497 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.166 CN(C)C1=CC=C(N)C=C1Cl F-432420 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.45 CC(C)(C)C1=CNC(C=O)=C1 F-453646 [0,1,0,0,1,0|1,0,0]=3 41 B11R1.48 CC(C)C1=CN(C)C(C=O)=C1 F-453614 [0,1,0,0,1,0|1,0,0]=3 42 B11R1.175 CC(C)C1=CNC(C(=O)O)=C1 F-453635 [0,1,0,0,1,0|1,0,0]=3 43 B13R1.36 CCC1=CC=C(C(N)C(C)C)C=C1 F-361526 [0,1,0,0,0,1|1,0,1]=4 44 B13R1.36 COC1=CC=C(C(N)C(C)C)C=C1 F-361524 [0,1,0,0,0,1|2,0,0]=4 45 B13R1.585 CC(=O)C1=CC=C(OC(F)F)C=C1 F-454055 [0,1,0,0,0,1|2,0,0]=4 46 B13R1.585 CC(C)OC1=CC=C(C(=O)Cl)C=C1 H-033479 [0,1,0,0,0,1|0,0,0]=2 47 B13R1.585 CC(C)OC1=CC=C(C(C)N)C=C1 Q-004184 [0,1,0,0,0,1|1,0,1]=4 48 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=C1 F-368673 [0,1,0,0,0,1|1,0,0]=3 49 B13R1.585 O=C(Cl)C1=CC=C(OC(F)F)C=C1 F-453963 [0,1,0,0,0,1|2,0,0]=4 50 B13R1.39 CCC(NC)C1=CC=C(OC)C=C1 POD_07/0939 [0,2,0,0,0,0|2,0,0]=4 51 B13R1.537 CCC(C)C1=CC=C(B(O)O)C=C1 F-405901 [0,2,0,0,0,0|1,0,1]=4 52 B13R1.120 CC(C)C1=C(Br)C=C(C(=O)Cl)C=C1 F-500276 [0,2,0,0,0,0|0,0,0]=2 53 B13R1.120 CC(C)C1=C(Br)C=C(C(=O)O)C=C1 F-500271 [0,2,0,0,0,0|0,0,0]=2 54 B13R1.120 CC(C)C1=C(Br)C=C(C(N)=O)C=C1 F-500272 [0,2,0,0,0,0|0,0,0]=2 55 B13R1.120 CC1=CC([N+](=O)[O-])=CC=C1N(C)C F-432319 [0,2,0,0,0,0|2,0,0]=4 56 B13R1.120 CN(C)C1=C(N)C=C([N+](=O)[O-])C=C1 F-501001 [0,2,0,0,0,0|2,0,0]=4 57 B13R1.120 CN(C)C1=CC=C(C(N)=O)C=C1N POD_04/0327 [0,2,0,0,0,0|1,0,0]=3 58 B13R1.120 CN(C)C1=CC=C([N+](=O)[O-])C=C1Cl F-432415 [0,2,0,0,0,0|2,0,0]=4 59 B13R1.3091 COC1=C(C#N)C=C(C(C)C)C=C1 F-431396 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.159 CC(C)C1=C(N)C(S)=CC=C1 F-495546 [0,0,1,1,0,0|1,1,0]=4 61 B13R2.184 N#CC1=CC=C(NC2CC2)C=C1 F-332577 [0,0,0,1,0,1|1,0,1]=4 62 B13R2.2121 CCC1=CC2=C(C=C1)NC(C)C2 F-453385 [0,0,0,1,0,1|1,0,1]=4 63 B9R1.21 CCC1=CC=C(C=O)N1 F-452295 [1,0,0,0,1,0|1,0,0]=3 64 B9R1.21 CCC1=CNC(C=O)=C1 F-453679 [1,0,0,0,1,0|1,0,0]=3 65 B9R1.21 CCN1C=C(C=O)C=N1 F-405935 [1,0,0,0,1,0|2,0,0]=4 66 B11R1.20 CN(C)CC1=CC=C(N)C=C1 F-337614 [1,0,0,0,0,1|2,0,0]=4 67 B13R1.3 CC(C)CNC1=CC=C(C#N)C=C1 F-332576 [0,0,0,0,0,2|1,0,1]=4