0 B11R1.91 NC(=S)COC1=CC=CC=C1 BB20-4704 [0,0,0,0,0,0|1,1,0]=2 1 B11R1.91 NC(=S)COC1=CC=CN=C1 BB20-4557 [0,0,0,0,0,0|2,1,0]=3 2 B11R1.91 O=C(Cl)CSC1=NC=CC=C1 BB12-3011 [0,0,0,0,0,0|2,1,0]=3 3 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB12-2585 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.17 BrCCOC1=CC=CC=C1 BB17-1654 [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|1,0,0]=2 6 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BB12-1839 [0,1,0,0,0,0|1,0,0]=2 7 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB12-1847 [0,1,0,0,0,0|0,0,0]=1 8 B12R1.21 O=C(O)CSC1=CC=C(Cl)N=N1 BB10-0312 [0,1,0,0,0,0|2,1,0]=4 9 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 BB17-2516 [0,1,0,0,0,0|1,0,1]=3 10 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BB17-0801 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.27 NNC(=O)COC1=CC=CC=C1 BB12-2509 [0,1,0,0,0,0|1,0,0]=2 12 B12R1.27 NNC(=O)CSC1=NC=CC=C1 BB12-2576 [0,1,0,0,0,0|2,1,0]=4 13 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB12-2875 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 BB12-1278 [0,1,0,0,0,0|1,0,0]=2 15 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 BB56-1289 [0,1,0,0,0,0|1,0,1]=3 16 B12R1.125 CC1=CC=CC=C1NCC(=O)O BB12-2586 [0,1,0,0,0,0|1,0,0]=2 17 B12R1.125 CC1=CC=CC=C1OCC(=O)O BB01-6379 [0,1,0,0,0,0|0,0,0]=1 18 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 BB12-2037 [0,1,0,0,0,0|0,0,0]=1 19 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 BB12-2587 [0,1,0,0,0,0|1,0,0]=2 20 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 BB12-2907 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 BB17-0708 [0,1,0,0,0,0|1,0,1]=3 22 B12R1.226 O=C(O)\C=C\C1=CC(I)=CC=C1 BB56-2320 [0,1,0,0,0,0|1,0,1]=3 23 B12R2.24 O=C1COC2=CC=CN=C2N1 BB12-2193 [0,0,0,1,0,0|2,0,0]=3 24 B12R2.24 O=C1CSC2=CC=CC=C2N1 BB20-4697 [0,0,0,1,0,0|1,1,0]=3 25 B12R2.24 S=C1COC2=CC=CC=C2N1 BB10-0259 [0,0,0,1,0,0|1,1,0]=3 26 B10R1.18 CC(=O)NC1=CC=CN=C1 BB12-1692 [0,0,0,0,1,0|3,0,0]=4 27 B12R1.252 O=C(O)COCC1=CC=CC=C1 BB01-5008 [0,0,0,0,0,1|0,0,0]=1 28 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 BB56-0588 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.1 BrCCOC1=CC=C(Br)C=C1 BB17-1661 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.1 C(=O)NCC1=CC=C(C)C=C1 BB20-3386 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.1 CC1=CC=C(NCCO)C=C1 BB17-0653 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.1 ClC1=CC=C(OCCBr)C=C1 BB17-1649 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.1 NCCOC1=CC=C(N)C=C1 BB53-1635 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.1 OCCNC1=CC=C(Cl)C=C1 BB17-0633 [1,1,0,0,0,0|1,0,1]=4 35 B11R1.17 ClC1=C(OCCBr)C=CC=C1 BB17-1653 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.24 CC1=CC=CC(OCCBr)=C1 BB17-1659 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.28 C=CCNCC1=CC=CC=C1 BB20-4594 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.28 OCCNCC1=CC=CC=C1 BB17-0809 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.28 O\N=C\C=C\C1=CC=CC=C1 BB12-1495 [1,1,0,0,0,0|1,0,1]=4 40 B11R1.40 NC(CO)CC1=CC=CC=C1 BB01-6619 [1,1,0,0,0,0|1,0,1]=4 41 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 BB17-2230 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 BB12-3713 [0,1,0,0,1,0|2,0,0]=4 43 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 BB12-3000 [0,1,0,0,1,0|2,0,0]=4 44 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 BB20-4553 [0,1,0,0,1,0|1,1,0]=4 45 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB12-4748 [0,1,0,0,1,0|0,0,0]=2 46 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 BB20-4534 [0,1,0,0,1,0|1,0,0]=3 47 B11R1.86 CC(=O)NC1=CC=CC=C1S BB12-2835 [0,1,0,0,1,0|2,0,0]=4 48 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 BB12-2255 [0,1,0,0,1,0|1,0,0]=3 49 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 BB53-1496 [0,1,0,0,1,0|2,0,0]=4 50 B11R1.77 NC(CC(=O)O)C1=CC=CS1 BB01-4064 [0,1,0,0,1,0|2,0,0]=4 51 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 BB12-1361 [0,1,0,0,0,1|0,1,0]=3 52 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 BB12-1362 [0,1,0,0,0,1|2,0,0]=4 53 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 BB12-2929 [0,1,0,0,0,1|1,0,0]=3 54 B13R1.3 CCC1=CC=C(OCC(N)=O)C=C1 BB17-0399 [0,2,0,0,0,0|1,0,0]=3 55 B13R1.3 N#CC1=CC=C(OCC(=N)S)C=C1 BB20-4660 [0,2,0,0,0,0|1,1,0]=4 56 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 BB56-1280 [0,2,0,0,0,0|0,0,0]=2 57 B13R1.14 CC1=CC=C(NCC(=O)NN)C=C1 BB17-2395 [0,2,0,0,0,0|2,0,0]=4 58 B13R1.14 NNC(=O)CNC1=CC=C(Cl)C=C1 BB12-2774 [0,2,0,0,0,0|2,0,0]=4 59 B13R1.14 NNC(=O)CNC1=CC=C(F)C=C1 BB12-2776 [0,2,0,0,0,0|2,0,0]=4 60 B13R1.14 NNC(=O)CNC1=CC=C(I)C=C1 BB12-2570 [0,2,0,0,0,0|2,0,0]=4 61 B13R1.14 NNC(=O)COC1=CC=C(I)C=C1 BB17-2214 [0,2,0,0,0,0|1,0,0]=3 62 B13R1.132 CC(=O)CC(=O)C1=CC=C(C)C=C1 BB12-2877 [0,2,0,0,0,0|2,0,0]=4 63 B13R1.133 CC(OC1=CC=C(O)C=C1)C(=O)O BB12-1748 [0,2,0,0,0,0|0,0,0]=2 64 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 BB12-2267 [0,2,0,0,0,0|1,0,0]=3 65 B13R1.164 CC1=CC(=O)C(OCC(=O)O)=CN1 BB26-0390 [0,2,0,0,0,0|1,0,0]=3 66 B13R1.164 CC1=CC(=O)C(OCC(=O)O)=CO1 BB26-0389 [0,2,0,0,0,0|1,0,0]=3 67 B13R1.164 CC1=CC(Br)=C(\C=C\C(=O)O)C=C1 BB56-1347 [0,2,0,0,0,0|1,0,1]=4 68 B13R1.164 NC(=O)COC1=C(F)C=C(F)C=C1 BB17-1919 [0,2,0,0,0,0|1,0,0]=3 69 B13R1.511 CC1=C(Cl)C=CC(OCC(N)=O)=C1 BB17-0398 [0,2,0,0,0,0|1,0,0]=3 70 B13R1.511 NC1=C(Cl)C=CC(\C=C\C(=O)O)=C1 BB17-2789 [0,2,0,0,0,0|1,0,1]=4 71 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 BB26-0866 [0,2,0,0,0,0|1,0,0]=3 72 B13R1.15 CC1=CC(NCC(=O)NN)=CC=C1 BB12-2537 [0,2,0,0,0,0|2,0,0]=4 73 B13R1.15 NNC(=O)CNC1=CC=CC(Br)=C1 BB17-2411 [0,2,0,0,0,0|2,0,0]=4 74 B13R1.15 N\C(COC1=CC(Cl)=CC=C1)=N/O BB53-1878 [0,2,0,0,0,0|1,0,0]=3 75 B13R1.42 CNCC(O)COC1=CC=CC=C1 BB17-0643 [0,2,0,0,0,0|1,0,1]=4 76 B13R1.528 CC1=C(NCC(=O)NN)C=CC=C1 BB12-2612 [0,2,0,0,0,0|2,0,0]=4 77 B13R1.202 NC(CC1=CC=CC=C1F)C(=O)O BB12-2908 [0,2,0,0,0,0|1,0,0]=3 78 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1O BB12-3041 [0,2,0,0,0,0|1,0,1]=4 79 B13R1.147 NC(CC(=O)O)C1=CC(I)=CC=C1 BB56-0130 [0,2,0,0,0,0|1,0,0]=3 80 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Br BB56-0119 [0,2,0,0,0,0|1,0,0]=3 81 B13R1.90 CC(=O)COC1=C(C#N)C=CC=C1 BB12-1473 [0,2,0,0,0,0|1,0,0]=3 82 B13R1.90 CCC1=C(\C=C\C(=O)O)C=CC=C1 BB56-1346 [0,2,0,0,0,0|1,0,1]=4 83 B13R1.150 CC1=CC=CC(\C=C\C(=O)O)=C1C BB56-1349 [0,2,0,0,0,0|1,0,1]=4 84 B13R1.893 O=C(O)\C=C\C1=CC(Br)=CC=C1F BB56-1288 [0,2,0,0,0,0|1,0,1]=4 85 B13R1.3420 O=C(O)COC1=CC(Cl)=CC(Cl)=C1 BB17-2833 [0,2,0,0,0,0|0,0,0]=2 86 B11R2.10 CC1=NC2=CC=CC=C2O1 BB12-1505 [0,0,0,1,1,0|2,0,0]=4 87 B11R2.10 O=C1NC2=CC=CC=C2N1 BB12-1666 [0,0,0,1,1,0|2,0,0]=4 88 B13R2.155 CC1=CC=C2OCC(=S)NC2=C1 BB10-0377 [0,1,0,1,0,0|1,1,0]=4 89 B13R2.57 NNC1=NC2=CC=CC=C2OC1 BB10-0593 [0,1,0,1,0,0|2,0,0]=4 90 B13R2.57 OCC1COC2=CC=CC=C2O1 BB60-7971 [0,1,0,1,0,0|0,0,2]=4 91 B13R2.369 O=C1NC2=CC=CC=C2OC1=O BB12-1662 [0,1,0,1,0,0|1,0,1]=4 92 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 BB12-1678 [0,1,0,1,0,0|0,0,1]=3 93 B13R2.3683 CC1=CC=C2NC(=O)COC2=C1 BB10-0258 [0,1,0,1,0,0|1,0,0]=3 94 B13R2.3683 CC1=CC=C2NC(=S)COC2=C1 BB10-0376 [0,1,0,1,0,0|1,1,0]=4 95 B13R2.3683 O=C1COC2=CC(Cl)=CC=C2N1 BB10-0256 [0,1,0,1,0,0|1,0,0]=3 96 B9R1.13 CC(=O)CC1=CC=CS1 BB12-3710 [0,0,0,0,2,0|2,0,0]=4 97 B9R1.13 O=C(O)CN1C=CN=C1 BB01-4993 [0,0,0,0,2,0|2,0,0]=4 98 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 BB12-2751 [0,0,0,0,0,2|0,1,0]=3