0 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 18545 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.18 CC1=C(C)C2=CC=CC=C2C1 16651 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 16046 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.18 CC1=CC2=CC=CC=C2C1O 16748 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.18 CN1C(=O)CC2=CC=CC=C21 18631 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.18 O=C1NC2=CC=CC=C2C1=O 20896 [0,0,0,0,0,0|1,0,1]=2 6 B11R2.1 CC1=CCC2=CC=CC=C12 16664 [1,0,0,0,0,0|3,0,0]=4 7 B11R2.1 CC1C=CC2=CC=CC=C21 16652 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.1 [N-]=[N+]1ONC2=CC=CC=C21 22285 [1,0,0,0,0,0|2,0,1]=4 9 B11R2.10 CC1=NC2=CC=CC=C2N1 11720 [1,0,0,0,0,0|1,0,1]=3 10 B11R2.10 NC1=NC2=CC=CC=C2N1 500 [1,0,0,0,0,0|1,0,1]=3 11 B11R2.10 S=C1NC2=CC=CC=C2O1 18932 [1,0,0,0,0,0|1,1,0]=3 12 B11R2.10 SC1=NC2=C(C=CC=C2)N1 520 [1,0,0,0,0,0|0,1,1]=3 13 B11R2.10 SC1=NC2=CC=CC=C2O1 10015 [1,0,0,0,0,0|1,1,1]=4 14 B13R2.45 CC1=C(C#N)NC2=CC=CC=C21 16077 [0,1,0,0,0,0|3,0,0]=4 15 B13R2.45 CCC1=C(C)C2=CC=CC=C2N1 16059 [0,1,0,0,0,0|3,0,0]=4 16 B13R2.135 CC1=C(C#N)C2=CC=CC=C2N1 16078 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.135 CCC1=C(C)NC2=CC=CC=C21 16096 [0,1,0,0,0,0|3,0,0]=4 18 B13R2.135 O=CC1=C(Cl)NC2=CC=CC=C21 18630 [0,1,0,0,0,0|2,0,1]=4 19 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O 21030 [0,1,0,0,0,0|1,0,1]=3 20 B13R2.4825 O=C1NC2=C(C=CC=C2Br)C1=O 100204 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 19771 [0,0,1,0,0,0|2,0,0]=3 22 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 102534 [0,0,1,0,0,0|3,0,0]=4 23 B11R1.36 [NH3+]C(C(=O)O)C1=CC=CC=C1 102467 [0,0,1,0,0,0|3,0,0]=4 24 B11R1.40 COC(=S)NC1=CC=CC=C1 10045 [0,0,1,0,0,0|2,1,0]=4 25 B11R2.54 O=C1C(=O)C2=CC=CC=C12 16264 [0,0,0,0,1,0|1,0,1]=3 26 B11R2.54 O=C1C2=CC=CC=C2C1Cl 16693 [0,0,0,0,1,0|2,0,0]=3 27 B13R2.328 NC1=CC(=O)OC2=CC=CC=C12 18942 [0,0,0,0,0,1|3,0,0]=4 28 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 20203 [0,0,0,0,0,1|2,0,0]=3 29 B13R2.328 O=C1C=C(O)C2=CC=CN=C2N1 19010 [0,0,0,0,0,1|2,0,0]=3 30 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 14932 [0,0,0,0,0,1|2,0,1]=4 31 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 16347 [0,0,0,0,0,1|2,0,1]=4 32 B13R2.328 O=C1CC2=CC=CC=C2C(=S)N1 15841 [0,0,0,0,0,1|2,1,0]=4 33 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 20124 [0,0,0,0,0,1|1,0,1]=3 34 B13R2.369 CC1=NC2=CC=CC=C2NC1=O 20935 [0,0,0,0,0,1|2,0,0]=3 35 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O 666 [0,0,0,0,0,1|1,0,1]=3 36 B13R2.369 O=C1NC2=CC=CC=C2C=C1F 101471 [0,0,0,0,0,1|2,0,0]=3 37 B13R2.369 O=C1OC2=CC=CC=C2C=C1F 101385 [0,0,0,0,0,1|3,0,0]=4 38 B13R2.369 O=C1SC2=CC=CC=C2C=C1F 102676 [0,0,0,0,0,1|3,0,0]=4 39 B10R1.15 NCC(O)C1=CC=CC=C1 12321 [1,0,1,0,0,0|1,0,1]=4 40 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [1,0,1,0,0,0|2,0,0]=4 41 B10R1.18 CC(=O)NC1=CC=CC=C1 20132 [1,0,1,0,0,0|1,0,0]=3 42 B10R1.18 N=C(N)CC1=CC=CC=C1 745 [1,0,1,0,0,0|2,0,0]=4 43 B10R1.18 O=C(O)CC1=CC=CC=C1 12288 [1,0,1,0,0,0|1,0,0]=3 44 B10R1.18 O=C(O)CC1=CC=CC=C1 15735 [1,0,1,0,0,0|1,0,0]=3 45 B10R1.4 CC1=CC=CC=C1NC=O 20052 [1,0,1,0,0,0|1,0,0]=3 46 B10R1.20 CCC1=CC=CC=C1C=O 102267 [1,0,1,0,0,0|2,0,0]=4 47 B10R1.20 O=CC1=CC=CC=C1C=O 15837 [1,0,1,0,0,0|1,0,1]=4 48 B10R1.61 NC1=CC=CC=C1C(=O)O 22066 [1,0,1,0,0,0|1,0,0]=3 49 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 101190 [1,0,1,0,0,0|2,0,0]=4 50 B10R1.61 O=C(O)C1=C(O)C=CC=C1 15776 [1,0,1,0,0,0|2,0,0]=4 51 B10R1.61 O=C(O)C1=CC=CC=C1F 100197 [1,0,1,0,0,0|2,0,0]=4 52 B12R1.253 CC(F)(C(N)=O)C1=CC=CC=C1 101107 [0,1,1,0,0,0|2,0,0]=4 53 B12R1.253 CC(O)(C(N)=O)C1=CC=CC=C1 101105 [0,1,1,0,0,0|1,0,0]=3 54 B12R1.253 CC(O)(C(N)=O)C1=CC=CC=N1 101109 [0,1,1,0,0,0|2,0,0]=4 55 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 544 [0,1,1,0,0,0|1,0,1]=4 56 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 102208 [0,1,1,0,0,0|1,0,0]=3 57 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 15432 [0,1,1,0,0,0|2,0,0]=4 58 B12R1.75 CCC1=CC=CC=C1NC(C)=O 17109 [0,1,1,0,0,0|2,0,0]=4 59 B12R1.75 COC1=CC=CC=C1NC(C)=O 17112 [0,1,1,0,0,0|2,0,0]=4 60 B12R2.1 COC1=CCC2=CC=CC=C21 16665 [1,1,0,0,0,0|2,0,0]=4 61 B12R2.2028 CC1=CC(O)C2=CC=CC=C12 16634 [1,1,0,0,0,0|2,0,0]=4 62 B12R2.1094 CC1=C2C(=O)C(=O)C2=CC=C1 16292 [0,1,0,0,1,0|1,0,1]=4 63 B14R2.8188 CN1C(=O)C(F)=CC2=CC=CC=C21 101467 [0,1,0,0,0,1|2,0,0]=4 64 B14R2.8045 CC1=C2NC(=O)C=C(Cl)C2=CC=C1 9588 [0,1,0,0,0,1|2,0,0]=4 65 B14R2.8045 CC1=C2NC(=O)C=C(O)C2=CC=C1 9584 [0,1,0,0,0,1|1,0,0]=3 66 B14R2.8045 CC1=CC=CC2=C1OC(=O)C=C2O 20205 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.8235 CC1=CC=C2NC(=O)C=C(O)C2=C1 19002 [0,1,0,0,0,1|1,0,0]=3 68 B14R2.29365 O=C1C=C(O)C2=C(C=C(O)C=C2)O1 20204 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 19326 [0,1,0,0,0,1|1,0,1]=4 70 B14R2.8239 CN1CC2=CC(Br)=CC=C2OC1=O 19432 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.8239 O=C1NC2=C(C=C(F)C=C2)C=C1F 102563 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.8239 O=C1NC2=CC(F)=CC=C2C=C1F 101681 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.8239 O=C1NC2=CC=C(Cl)C=C2C=C1F 101666 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.28472 CC1=C2NC(=O)C(F)=CC2=CC=C1 101476 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.28472 N1C(=O)C(F)=CC2=CC=CC(F)=C21 101349 [0,1,0,0,0,1|2,0,0]=4 76 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1F 100008 [0,1,0,0,0,1|2,0,0]=4 77 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1F 101477 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1F 101663 [0,1,0,0,0,1|2,0,0]=4 79 B14R2.28472 O=C1NC2=C(Cl)C=CC=C2C=C1F 101474 [0,1,0,0,0,1|2,0,0]=4 80 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 16090 [0,2,0,0,0,0|2,0,0]=4 81 B12R2.24 O=C1C=CC2=CC=CC=C2N1 101464 [0,0,1,1,0,0|2,0,0]=4 82 B12R2.24 O=C1CSC2=CC=CC=C2N1 102677 [0,0,1,1,0,0|1,1,0]=4 83 B10R2.320 OC1CC2=CC=CC=C21 16154 [1,0,0,0,1,0|1,0,1]=4 84 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 19804 [0,0,1,0,0,1|2,0,0]=4