0 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 BB12-3811 [0,0,0,0,0,0|1,0,0]=1 1 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 BB12-3461 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.435 CC(C)C1=NC2=CC=CC=C2N1 BB12-1578 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 BB12-2951 [0,0,0,0,0,0|1,0,1]=2 4 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 BB12-1678 [0,0,0,0,0,0|1,0,1]=2 5 B13R2.435 O=C(O)C1=NC2=CC=CN=C2N1 BB12-3038 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.435 OB(O)C1=CC2=CC=CC=C2S1 BB56-0658 [0,0,0,0,0,0|2,0,1]=3 7 B12R2.32 C=CC1=NC2=CC=CC=C2N1 BB12-1680 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.32 NCC1=NC2=CC=CC=C2N1 BB12-2371 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.32 OCC1=NC2=CC=CN=C2N1 BB12-2963 [1,0,0,0,0,0|2,0,1]=4 10 B14R2.450 CC(=O)C1=C(N)C2=CC=CN=C2O1 BB20-3090 [0,1,0,0,0,0|3,0,0]=4 11 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CC=C2N1 BB12-2295 [0,1,0,0,0,0|0,0,0]=1 12 B14R2.450 O=C(O)C1=NN2C=CC=NC2=C1Cl BB55-4052 [0,1,0,0,0,0|2,0,1]=4 13 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 BB11-0045 [0,1,0,0,0,0|1,0,0]=2 14 B14R2.972 NNC(=O)C1=CC2=CC=CC=C2O1 BB12-4600 [0,1,0,0,0,0|2,0,0]=3 15 B14R2.3129 CC(C)(C)C1=CC2=CC=CC=C2N1 BB56-1946 [0,1,0,0,0,0|2,0,1]=4 16 B14R2.4529 CC(=O)C1=NC2=CC=C(F)C=C2N1 BB12-1544 [0,1,0,0,0,0|2,0,0]=3 17 B14R2.4529 CC(O)C1=NC2=CC=C(Br)C=C2N1 BB12-2646 [0,1,0,0,0,0|2,0,1]=4 18 B14R2.4529 CC1=CC2=C(C=C1)N=C(C(=O)O)N2 BB12-2742 [0,1,0,0,0,0|1,0,0]=2 19 B14R2.4529 CC1=CC2=NC(C(=O)O)=CN2C=C1 BB26-0255 [0,1,0,0,0,0|1,0,1]=3 20 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 BB56-1149 [0,1,0,0,0,0|0,0,0]=1 21 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 BB01-5002 [0,1,0,0,0,0|0,0,0]=1 22 B14R2.4529 CC1=CN2C=C(C(=O)O)N=C2C=C1 BB12-2943 [0,1,0,0,0,0|1,0,1]=3 23 B14R2.4529 CC1=CN2N=C(C(=O)O)C=C2N=C1 BB55-4117 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.4529 NC1=CC=C2SC(C(=O)[O-])=CC2=C1 BB56-1828 [0,1,0,0,0,0|1,0,1]=3 25 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 BB20-4570 [0,1,0,0,0,0|0,0,0]=1 26 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 BB56-0738 [0,1,0,0,0,0|0,0,0]=1 27 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 BB56-0739 [0,1,0,0,0,0|0,0,0]=1 28 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2S1 BB56-1661 [0,1,0,0,0,0|1,0,0]=2 29 B14R2.4529 O=C(O)C1=CC2=CC=C(I)C=C2N1 BB56-1734 [0,1,0,0,0,0|0,0,0]=1 30 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 BB56-1825 [0,1,0,0,0,0|1,0,1]=3 31 B14R2.4529 O=C([O-])C1=CC2=CC=C(Cl)C=C2S1 BB56-1728 [0,1,0,0,0,0|1,0,1]=3 32 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=CC=C1 BB56-0399 [0,1,0,0,0,0|0,0,0]=1 33 B14R2.7969 CC1=CC=CC2=NC(C(=O)O)=CN12 BB26-0256 [0,1,0,0,0,0|1,0,1]=3 34 B14R2.7969 CC1=CC=CN2C=C(C(=O)O)N=C12 BB56-1827 [0,1,0,0,0,0|1,0,1]=3 35 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 BB56-0695 [0,1,0,0,0,0|0,0,0]=1 36 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 BB26-0840 [0,1,0,0,0,0|1,0,0]=2 37 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 BB56-1354 [0,1,0,0,0,0|0,0,0]=1 38 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 BB56-1289 [0,0,1,0,0,0|1,0,0]=2 39 B12R1.125 CC1=CC=CC=C1NCC(=O)O BB12-2586 [0,0,1,0,0,0|0,0,2]=3 40 B12R1.125 CC1=CC=CC=C1OCC(=O)O BB01-6379 [0,0,1,0,0,0|1,0,2]=4 41 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 BB12-2037 [0,0,1,0,0,0|2,0,1]=4 42 B12R2.252 O=C(O)C1=CC2=C(C=CO2)N1 BB56-1783 [0,0,0,0,1,0|1,0,0]=2 43 B14R2.768 O=C(O)CN1C=C2C=CC=CC2=N1 BB12-3277 [0,0,0,0,0,1|1,0,1]=3 44 B14R2.768 O=C(O)CN1N=C2C=CC=CC2=N1 BB12-2058 [0,0,0,0,0,1|2,0,1]=4 45 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 BB17-2230 [1,0,1,0,0,0|1,0,0]=3 46 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB12-2585 [1,0,1,0,0,0|0,0,1]=3 47 B11R2.10 O=C1NC2=CC=CC=C2N1 BB12-1666 [2,0,0,0,0,0|1,0,0]=3 48 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 BB12-2267 [0,1,1,0,0,0|0,0,2]=4 49 B13R1.202 NC(CC1=CC=CC=C1F)C(=O)O BB12-2908 [0,1,1,0,0,0|0,0,2]=4 50 B13R1.202 O=C(O)C(=O)NC1=CC=CC=C1O BB12-3041 [0,1,1,0,0,0|1,0,0]=3 51 B13R1.90 CCC1=C(\C=C\C(=O)O)C=CC=C1 BB56-1346 [0,1,1,0,0,0|1,0,0]=3 52 B13R1.150 CC1=CC=CC(\C=C\C(=O)O)=C1C BB56-1349 [0,1,1,0,0,0|1,0,0]=3 53 B13R1.164 CC1=CC(Br)=C(\C=C\C(=O)O)C=C1 BB56-1347 [0,1,1,0,0,0|1,0,0]=3 54 B13R1.893 O=C(O)\C=C\C1=CC(Br)=CC=C1F BB56-1288 [0,1,1,0,0,0|1,0,0]=3 55 B13R2.43 OCC1=NC2=CC=C(Br)C=C2N1 BB12-2645 [1,1,0,0,0,0|1,0,1]=4 56 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)O1 BB56-1784 [0,1,0,0,1,0|1,0,0]=3 57 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)S1 BB56-2140 [0,1,0,0,1,0|1,0,0]=3 58 B13R2.531 COC(=O)C1=CC2=C(N1)SC=C2 BB01-2516 [0,1,0,0,1,0|1,0,0]=3 59 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CS2 BB90-0053 [0,1,0,0,1,0|1,0,0]=3 60 B15R2.1569 COC(=O)CC1=CN2C=CC=CC2=N1 BB10-1038 [0,1,0,0,0,1|1,0,1]=4 61 B15R2.1569 COC(=O)CC1=NC2=CC=CC=C2N1 BB53-1826 [0,1,0,0,0,1|1,0,0]=3 62 B15R2.1569 N\C(CC1=NC2=CC=CC=C2N1)=N/O BB53-1871 [0,1,0,0,0,1|2,0,0]=4 63 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2N=C1 BB26-0779 [0,1,0,0,0,1|0,0,1]=3 64 B15R2.627 O=C(O)C1=CN=C2C=CC=CN2C1=O BB53-1882 [0,1,0,0,0,1|1,0,1]=4 65 B15R2.627 O=C1C2=CC=CC=C2NC=C1[N+](=O)[O-] BB12-2802 [0,1,0,0,0,1|1,0,1]=4 66 B15R2.1601 NCC(=O)C1=CC=C2C=CC=CC2=C1 BB26-0168 [0,1,0,0,0,1|2,0,0]=4 67 B15R2.14951 O=C(O)C1=NC2=C(C=CC=C2)C(=O)N1 BB12-2080 [0,1,0,0,0,1|0,0,1]=3 68 B15R2.1592 COC(=O)C1=C(O)C2=CC=CC=C2O1 BB01-2199 [0,2,0,0,0,0|1,0,0]=3 69 B15R2.1592 COC(=O)C1=CC2=CC=CC=C2N1C BB53-4154 [0,2,0,0,0,0|0,0,0]=2 70 B15R2.14758 CC1=CC=C2C(=C1)C=C(C(=O)O)N2C BB53-1601 [0,2,0,0,0,0|0,0,0]=2 71 B15R2.14758 CN1C(C(=O)O)=CC2=CC(F)=CC=C21 BB12-1177 [0,2,0,0,0,0|0,0,0]=2 72 B15R2.1590 COC(=O)C1=CC2=CC(N)=CC=C2S1 BB56-1788 [0,2,0,0,0,0|1,0,0]=3 73 B15R2.1590 COC(=O)C1=CC2=CC=C(Cl)C=C2N1 BB56-0663 [0,2,0,0,0,0|0,0,0]=2 74 B15R2.1598 COC(=O)C1=CC2=C(C)C=CC=C2N1 BB56-0400 [0,2,0,0,0,0|0,0,0]=2 75 B15R2.1598 COC(=O)C1=CC2=C(F)C=CC=C2N1 BB56-1356 [0,2,0,0,0,0|0,0,0]=2 76 B15R2.4834 CCC1=CC=C2C=C(C(=O)O)NC2=C1 BB56-1105 [0,2,0,0,0,0|0,0,0]=2 77 B15R2.4834 CCC1=CC=C2NC(C(=O)O)=CC2=C1 BB56-0421 [0,2,0,0,0,0|0,0,0]=2 78 B15R2.4834 CSC1=CC=C2C=C(C(=O)O)NC2=C1 BB56-1150 [0,2,0,0,0,0|0,0,0]=2 79 B15R2.7254 CC1=C2NC(C(=O)O)=CC2=CC=C1Cl BB56-0915 [0,2,0,0,0,0|0,0,0]=2 80 B15R2.7254 CC1=CC=C2C=C(C(=O)O)NC2=C1C BB56-2402 [0,2,0,0,0,0|0,0,0]=2 81 B15R2.7254 O=C(O)C1=CC2=C(Cl)C(Cl)=CC=C2N1 BB56-0740 [0,2,0,0,0,0|0,0,0]=2 82 B15R2.7254 O=C(O)C1=CC2=CC=C(Cl)C(Cl)=C2N1 BB56-0439 [0,2,0,0,0,0|0,0,0]=2 83 B15R2.15633 CC1=C2NC(C(=O)O)=CC2=CC(Cl)=C1 BB56-2454 [0,2,0,0,0,0|0,0,0]=2 84 B15R2.15633 CC1=CC(Br)=C2NC(C(=O)O)=CC2=C1 BB56-2403 [0,2,0,0,0,0|0,0,0]=2 85 B15R2.15633 CC1=CC(C)=C2C=C(C(=O)O)NC2=C1 BB12-1111 [0,2,0,0,0,0|0,0,0]=2 86 B15R2.15633 O=C(O)C1=CC2=C(Cl)C=C(Cl)C=C2N1 BB56-0258 [0,2,0,0,0,0|0,0,0]=2 87 B15R2.15633 O=C(O)C1=CC2=C(Cl)C=C(F)C=C2N1 BB56-1896 [0,2,0,0,0,0|0,0,0]=2 88 B15R2.15633 O=C(O)C1=CC2=C(F)C=C(Cl)C=C2N1 BB56-1973 [0,2,0,0,0,0|0,0,0]=2 89 B15R2.15633 O=C(O)C1=CC2=CC(Br)=CC(Cl)=C2N1 BB56-0849 [0,2,0,0,0,0|0,0,0]=2 90 B15R2.15633 O=C(O)C1=CC2=CC(Cl)=CC(Br)=C2N1 BB56-2456 [0,2,0,0,0,0|0,0,0]=2 91 B15R2.15633 O=C(O)C1=CC2=CC(Cl)=CC(Cl)=C2N1 BB56-0431 [0,2,0,0,0,0|0,0,0]=2 92 B15R2.15633 O=C(O)C1=CN2C=C(Br)C=C(Br)C2=N1 BB56-2835 [0,2,0,0,0,0|1,0,1]=4 93 B15R2.14566 CC1=C2C=C(C(=O)O)NC2=C(C)C=C1 BB56-0430 [0,2,0,0,0,0|0,0,0]=2 94 B15R2.14566 CC1=C2NC(C(=O)O)=CC2=C(Cl)C=C1 BB56-1069 [0,2,0,0,0,0|0,0,0]=2 95 B15R2.14566 O=C(O)C1=CC2=C(Cl)C=CC(Cl)=C2N1 BB56-0432 [0,2,0,0,0,0|0,0,0]=2 96 B15R2.20824 CCC1=C2NC(C(=O)O)=CC2=CC=C1 BB56-2036 [0,2,0,0,0,0|0,0,0]=2 97 B13R2.369 O=C1NC2=CC=CC=C2OC1=O BB12-1662 [0,0,1,1,0,0|1,0,0]=3 98 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 BB17-0572 [0,0,1,1,0,0|2,0,0]=4 99 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 BB20-4534 [0,0,1,0,1,0|1,0,1]=4 100 B11R1.86 CC(=O)NC1=CC=CC=C1S BB12-2835 [0,0,1,0,1,0|2,0,0]=4 101 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 BB12-1362 [0,0,1,0,0,1|2,0,0]=4 102 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 BB12-2929 [0,0,1,0,0,1|1,0,1]=4 103 B15R2.1660 O=C(O)CCC1=CN2C=CC=CC2=N1 BB12-2930 [0,0,0,0,0,2|1,0,1]=4 104 B15R2.1660 O=C(O)CSC1=NC2=CC=CC=C2O1 BB12-1418 [0,0,0,0,0,2|1,0,1]=4