0 B11R1.91 CC(N)\C=C\C1=CC=CC=C1 BB12-1707 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.91 NC(=S)COC1=CC=CC=C1 BB20-4704 [0,0,0,0,0,0|2,1,1]=4 2 B11R1.91 O=C(Cl)CSC1=NC=CC=C1 BB12-3011 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB12-2585 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [1,0,0,0,0,0|1,0,1]=3 5 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 BB12-2588 [0,1,0,0,0,0|1,0,1]=3 6 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BB12-1839 [0,1,0,0,0,0|2,0,1]=4 7 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB12-1847 [0,1,0,0,0,0|1,0,1]=3 8 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 BB17-2516 [0,1,0,0,0,0|0,0,0]=1 9 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BB17-0801 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.27 NNC(=O)COC1=CC=CC=C1 BB12-2509 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB12-2875 [0,1,0,0,0,0|1,0,1]=3 12 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 BB12-1278 [0,1,0,0,0,0|1,0,1]=3 13 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 BB56-1289 [0,1,0,0,0,0|0,0,0]=1 14 B12R1.125 CC1=CC=CC=C1NCC(=O)O BB12-2586 [0,1,0,0,0,0|1,0,1]=3 15 B12R1.125 CC1=CC=CC=C1OCC(=O)O BB01-6379 [0,1,0,0,0,0|1,0,1]=3 16 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 BB12-2037 [0,1,0,0,0,0|1,0,1]=3 17 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 BB12-2587 [0,1,0,0,0,0|1,0,1]=3 18 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 BB12-2907 [0,1,0,0,0,0|0,0,2]=3 19 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 BB17-0708 [0,1,0,0,0,0|0,0,0]=1 20 B12R1.226 O=C(O)\C=C\C1=CC(I)=CC=C1 BB56-2320 [0,1,0,0,0,0|0,0,0]=1 21 B12R2.24 FC1=CC2=CC=CC=C2C=C1 BB53-1916 [0,0,0,1,0,0|2,0,0]=3 22 B12R2.24 NC1=CC=C2N=CC=CC2=C1 BB12-2220 [0,0,0,1,0,0|3,0,0]=4 23 B12R2.24 O=C1CSC2=CC=CC=C2N1 BB20-4697 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.18 CC(=O)NC1=CC=CN=C1 BB12-1692 [0,0,0,0,1,0|3,0,0]=4 25 B10R1.66 CC(=O)\C=C\C1=CC=CO1 BB12-2961 [0,0,0,0,1,0|2,0,0]=3 26 B12R1.252 O=C(O)COCC1=CC=CC=C1 BB01-5008 [0,0,0,0,0,1|0,0,2]=3 27 B11R1.1 C(=O)NCC1=CC=C(C)C=C1 BB20-3386 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.16 N#C\C=C(\N)C1=CC=CC=C1 BB20-4559 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.28 O\N=C\C=C\C1=CC=CC=C1 BB12-1495 [1,1,0,0,0,0|0,0,0]=2 30 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 BB17-2230 [1,1,0,0,0,0|0,0,0]=2 31 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 BB12-3713 [0,1,0,0,1,0|2,0,0]=4 32 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 BB12-3000 [0,1,0,0,1,0|2,0,0]=4 33 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB12-4748 [0,1,0,0,1,0|0,0,1]=3 34 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 BB20-4534 [0,1,0,0,1,0|1,0,1]=4 35 B11R1.86 CC(=O)NC1=CC=CC=C1S BB12-2835 [0,1,0,0,1,0|2,0,0]=4 36 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 BB12-2255 [0,1,0,0,1,0|2,0,0]=4 37 B11R1.75 NC(=O)\C=C\C1=CC=C(Br)S1 BB17-2532 [0,1,0,0,1,0|2,0,0]=4 38 B11R1.75 O=C(O)\C=C\C1=CC=C(Br)S1 BB17-2524 [0,1,0,0,1,0|1,0,0]=3 39 B13R1.45 C\C(=N/NC(N)=O)C1=CC=CC=C1 BB12-2747 [0,1,0,0,0,1|2,0,0]=4 40 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 BB12-1361 [0,1,0,0,0,1|0,0,1]=3 41 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 BB12-1362 [0,1,0,0,0,1|1,0,1]=4 42 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 BB12-2929 [0,1,0,0,0,1|0,0,1]=3 43 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 BB56-1280 [0,2,0,0,0,0|1,0,1]=4 44 B13R1.132 CC(=O)CC(=O)C1=CC=C(C)C=C1 BB12-2877 [0,2,0,0,0,0|1,0,1]=4 45 B13R1.133 CC(OC1=CC=C(O)C=C1)C(=O)O BB12-1748 [0,2,0,0,0,0|1,0,1]=4 46 B13R1.133 C\C(=C\C1=CC=C(Br)C=C1)[N+](=O)[O-] BB20-3101 [0,2,0,0,0,0|1,0,1]=4 47 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 BB12-2267 [0,2,0,0,0,0|0,0,2]=4 48 B13R1.164 CC1=CC(Br)=C(\C=C\C(=O)O)C=C1 BB56-1347 [0,2,0,0,0,0|0,0,0]=2 49 B13R1.511 NC1=C(Cl)C=CC(\C=C\C(=O)O)=C1 BB17-2789 [0,2,0,0,0,0|0,0,0]=2 50 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 BB26-0866 [0,2,0,0,0,0|0,0,2]=4 51 B13R1.202 NC(CC1=CC=CC=C1F)C(=O)O BB12-2908 [0,2,0,0,0,0|0,0,2]=4 52 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1O BB12-3041 [0,2,0,0,0,0|1,0,0]=3 53 B13R1.147 NC(CC(=O)O)C1=CC(I)=CC=C1 BB56-0130 [0,2,0,0,0,0|0,0,2]=4 54 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Br BB56-0119 [0,2,0,0,0,0|0,0,2]=4 55 B13R1.90 CCC1=C(\C=C\C(=O)O)C=CC=C1 BB56-1346 [0,2,0,0,0,0|0,0,0]=2 56 B13R1.150 CC1=CC=CC(\C=C\C(=O)O)=C1C BB56-1349 [0,2,0,0,0,0|0,0,0]=2 57 B13R1.893 O=C(O)\C=C\C1=CC(Br)=CC=C1F BB56-1288 [0,2,0,0,0,0|0,0,0]=2 58 B13R1.3420 O=C(O)COC1=CC(Cl)=CC(Cl)=C1 BB17-2833 [0,2,0,0,0,0|1,0,1]=4 59 B11R1.53 NNC1=CC=CC=C1C(=O)O BB12-2554 [0,0,1,1,0,0|2,0,0]=4 60 B11R2.10 CC1=NC2=CC=CC=C2O1 BB12-1505 [0,0,0,1,1,0|2,0,0]=4 61 B11R2.10 O=C1NC2=CC=CC=C2N1 BB12-1666 [0,0,0,1,1,0|2,0,0]=4 62 B13R2.10 NC1=NC=C(C2=CC=CC=C2)O1 BB12-1476 [0,0,0,1,0,1|1,0,0]=3 63 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 BB12-3532 [0,0,0,1,0,1|2,0,0]=4 64 B13R2.10 SC1=NC(C2=CC=CC=C2)=CN1 BB26-0122 [0,0,0,1,0,1|1,1,0]=4 65 B13R2.72 CC(=O)C1=CNC2=CC=CC=C21 BB12-1173 [0,0,0,1,0,1|1,0,0]=3 66 B13R2.72 O=C(O)C1=C2N=CC=CN2N=C1 BB01-3876 [0,0,0,1,0,1|2,0,0]=4 67 B13R2.32 OC1=C(Cl)C2=CC=CC=C2C=C1 BB12-5003 [0,1,0,1,0,0|1,0,0]=3 68 B13R2.369 O=C1NC2=CC=CC=C2OC1=O BB12-1662 [0,1,0,1,0,0|1,0,0]=3 69 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 BB12-3811 [0,1,0,1,0,0|1,0,0]=3 70 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 BB12-3461 [0,1,0,1,0,0|2,0,0]=4 71 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 BB12-2951 [0,1,0,1,0,0|1,0,0]=3 72 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 BB12-1678 [0,1,0,1,0,0|1,0,0]=3 73 B13R2.435 O=C(O)C1=NC2=CC=CN=C2N1 BB12-3038 [0,1,0,1,0,0|2,0,0]=4 74 B13R2.435 OB(O)C1=CC2=CC=CC=C2S1 BB56-0658 [0,1,0,1,0,0|1,0,1]=4 75 B13R2.328 OC1=NC2=CC=CC=C2C(O)=N1 BB12-1549 [0,1,0,1,0,0|2,0,0]=4 76 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 BB17-0572 [0,1,0,1,0,0|2,0,0]=4 77 B13R2.162 CC1=NC2=C(Br)C=CC=C2C=C1 BB56-0660 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.3683 CC1=NC2=CC=C(N)C=C2C=C1 BB12-4988 [0,1,0,1,0,0|2,0,0]=4 79 B13R1.337 CC(=O)\C=C\C=C\C1=CC=CC=C1 BB17-2233 [0,0,0,0,0,2|1,0,0]=3 80 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 BB12-2751 [0,0,0,0,0,2|0,0,2]=4