0 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 BB01-3362 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.435 CC(=O)C1=NC2=CC=CC=C2S1 BB55-8425 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.435 CC(N)C1=NC2=CC=CC=C2N1 BB01-5822 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.435 ClC(Cl)C1=NC2=CC=CC=C2N1 BB58-3933 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 BB01-4568 [0,0,0,0,0,0|0,0,0]=0 5 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 BB57-1578 [0,0,0,0,0,0|1,0,0]=1 6 B13R2.435 O=C(O)C1=NN2C=CC=NC2=N1 BB01-4234 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.435 O=C(O)C1OC2=CC=CC=C2O1 BB55-3643 [0,0,0,0,0,0|2,0,1]=3 8 B12R2.32 ClCC1=NC2=CC=CC=C2N1 BB01-4159 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.32 N#CC1=CC2=CC=CC=C2O1 BB58-4707 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.32 O=CC1=CC2=CC=CC=C2S1 BB58-0480 [1,0,0,0,0,0|1,0,0]=2 11 B12R2.32 O=CC1=NC2=CC=CC=C2S1 BB55-8341 [1,0,0,0,0,0|1,0,1]=3 12 B12R2.32 OCC1=NC2=C(C=CC=C2)S1 BB57-5255 [1,0,0,0,0,0|1,0,2]=4 13 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 BB55-0070 [0,1,0,0,0,0|1,0,0]=2 14 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 BB01-2131 [0,1,0,0,0,0|0,0,0]=1 15 B14R2.450 NC(=O)C1=CC2=CC=CC=C2N1C BB01-3059 [0,1,0,0,0,0|1,0,0]=2 16 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 BB55-0050 [0,1,0,0,0,0|1,0,0]=2 17 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 BB01-0992 [0,1,0,0,0,0|0,0,0]=1 18 B14R2.972 COC(=O)C1=CC2=CC=CC=C2S1 BB57-5413 [0,1,0,0,0,0|1,0,0]=2 19 B14R2.972 COC(=O)C1=NC2=CC=CC=C2N1 BB20-1023 [0,1,0,0,0,0|1,0,0]=2 20 B14R2.972 COC(=O)C1OC2=CC=CC=C2O1 BB58-4471 [0,1,0,0,0,0|2,0,1]=4 21 B14R2.972 C\C(=N/O)C1=CN2C=CC=CC2=N1 BB17-2990 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.3129 O=S(=O)(Cl)C1=CC2=C(C=CC=C2)S1 BB55-8219 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.4529 CC1=CC2=NC(C(=O)O)=CN2C=C1 BB20-6768 [0,1,0,0,0,0|1,0,1]=3 24 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 BB01-6370 [0,1,0,0,0,0|0,0,0]=1 25 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 BB58-1541 [0,1,0,0,0,0|1,0,0]=2 26 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 BB01-0934 [0,1,0,0,0,0|0,0,0]=1 27 B14R2.4529 O=C(O)C1=CN2C=C(Cl)C=CC2=N1 BB20-6079 [0,1,0,0,0,0|1,0,1]=3 28 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 BB58-1550 [0,1,0,0,0,0|1,0,0]=2 29 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=CC=C2 BB58-1546 [0,1,0,0,0,0|1,0,0]=2 30 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O BB01-4649 [0,0,1,0,0,0|1,0,2]=4 31 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O BB57-6615 [0,0,1,0,0,0|1,0,0]=2 32 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 BB55-5151 [0,0,1,0,0,0|1,0,2]=4 33 B12R1.43 O=C(O)\C(Cl)=C\C1=CC=CC=C1 BB57-2332 [0,0,1,0,0,0|1,0,0]=2 34 B12R1.125 CC1=C(SCC(=O)O)C=CC=C1 BB58-4631 [0,0,1,0,0,0|1,0,2]=4 35 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)Cl BB55-6108 [0,0,1,0,0,0|2,0,0]=3 36 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Br BB55-6106 [0,0,1,0,0,0|2,0,0]=3 37 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Cl BB55-6085 [0,0,1,0,0,0|2,0,0]=3 38 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1F BB55-6103 [0,0,1,0,0,0|2,0,0]=3 39 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BB17-1418 [0,0,1,0,0,0|1,0,2]=4 40 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 BB57-4563 [0,0,1,0,0,0|1,0,2]=4 41 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 BB55-0527 [0,0,1,0,0,0|2,0,1]=4 42 B12R1.125 O=C(O)COC1=CC=CC=C1Br BB55-0536 [0,0,1,0,0,0|2,0,1]=4 43 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 BB01-2229 [0,0,1,0,0,0|1,0,0]=2 44 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br BB55-6081 [0,0,1,0,0,0|1,0,0]=2 45 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl BB01-2911 [0,0,1,0,0,0|1,0,0]=2 46 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O BB57-6763 [0,0,1,0,0,0|1,0,0]=2 47 B14R2.781 NC(=O)C1CC2=CC=CC=C2CN1 BB55-3653 [0,0,0,0,0,1|1,0,2]=4 48 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 BB01-8345 [0,0,0,0,0,1|2,0,0]=3 49 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)C=C1 BB01-6134 [0,0,0,0,0,1|0,0,1]=2 50 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)N=C1 BB57-5156 [0,0,0,0,0,1|0,0,1]=2 51 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 BB58-3843 [0,0,0,0,0,1|1,0,1]=3 52 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 BB01-4055 [0,0,0,0,0,1|1,0,2]=4 53 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BB01-5922 [1,0,1,0,0,0|1,0,0]=3 54 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 BB01-3764 [1,0,1,0,0,0|1,0,0]=3 55 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 BB55-7473 [1,0,1,0,0,0|1,0,0]=3 56 B11R2.10 ClC1=NC2=CC=CC=C2N1 BB01-8305 [2,0,0,0,0,0|2,0,0]=4 57 B11R2.10 NC1=NC2=C(C=CC=C2)N1 BB20-0076 [2,0,0,0,0,0|2,0,0]=4 58 B11R2.10 O=C1CC2=C(C=CC=C2)C1 BB01-8363 [2,0,0,0,0,0|1,0,1]=4 59 B13R1.133 CC1=CC=C(NC(=O)C(=O)O)C=C1 BB55-4710 [0,1,1,0,0,0|1,0,0]=3 60 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 BB57-6641 [0,1,1,0,0,0|1,0,1]=4 61 B13R1.133 O=C(O)C(=O)NC1=CC=C(F)C=C1 BB55-4705 [0,1,1,0,0,0|1,0,0]=3 62 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O BB57-4906 [0,1,1,0,0,0|0,0,2]=4 63 B13R1.148 O=C(O)C(=O)NC1=CC(Cl)=CC=C1 BB55-4717 [0,1,1,0,0,0|1,0,0]=3 64 B13R1.148 O=C(O)C(=O)NC1=CC(F)=CC=C1 BB55-4702 [0,1,1,0,0,0|1,0,0]=3 65 B13R1.152 CN(C(=O)C(=O)O)C1=CC=CC=C1 BB55-4703 [0,1,1,0,0,0|1,0,0]=3 66 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 BB57-0268 [0,1,1,0,0,0|0,0,2]=4 67 B13R1.202 CC1=C(NC(=O)C(=O)O)C=CC=C1 BB55-4721 [0,1,1,0,0,0|1,0,0]=3 68 B13R1.202 O=C(O)C(=O)NC1=C(Cl)C=CC=C1 BB55-4715 [0,1,1,0,0,0|1,0,0]=3 69 B13R1.202 O=C(O)C(=O)NC1=C(F)C=CC=C1 BB55-4696 [0,1,1,0,0,0|1,0,0]=3 70 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)Cl BB55-6101 [0,1,1,0,0,0|2,0,0]=4 71 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)O BB01-2918 [0,1,1,0,0,0|1,0,0]=3 72 B13R1.90 O=CC1=CC=CC=C1OCC(=O)O BB05-0713 [0,1,1,0,0,0|1,0,1]=4 73 B13R1.90 O=CC1=CC=CC=C1OCC(=O)O BB20-1387 [0,1,1,0,0,0|1,0,1]=4 74 B13R1.150 O=C(O)\C=C\C1=C(F)C(F)=CC=C1 BB20-4935 [0,1,1,0,0,0|1,0,0]=3 75 B13R1.164 CC1=CC(C)=C(\C=C\C(=O)O)C=C1 BB01-6353 [0,1,1,0,0,0|1,0,0]=3 76 B13R1.164 O=C(O)CNC1=CC=C(F)C=C1F BB58-4960 [0,1,1,0,0,0|1,0,1]=4 77 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(F)C=C1 BB01-2231 [0,1,1,0,0,0|1,0,0]=3 78 B13R1.3787 O=C(Cl)\C=C\C1=C(Cl)C=CC=C1Cl BB55-6099 [0,1,1,0,0,0|2,0,0]=4 79 B13R1.3787 O=C(Cl)\C=C\C1=C(F)C=CC=C1Cl BB55-6100 [0,1,1,0,0,0|2,0,0]=4 80 B13R1.3787 O=C(O)\C=C\C1=C(Cl)C=CC=C1Cl BB55-6077 [0,1,1,0,0,0|1,0,0]=3 81 B13R1.3787 O=C(O)\C=C\C1=C(F)C=CC=C1Cl BB55-6078 [0,1,1,0,0,0|1,0,0]=3 82 B13R2.26 COCC1=NC2=CC=CC=C2N1 BB58-1848 [1,1,0,0,0,0|1,0,1]=4 83 B13R2.45 CN1C(CO)=CC2=CC=CC=C21 BB58-1337 [1,1,0,0,0,0|0,0,1]=3 84 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2S1 BB57-6214 [1,1,0,0,0,0|1,0,0]=3 85 B13R2.531 COC(=O)C1=CC2=C(C=CO2)N1 BB01-3680 [0,1,0,0,1,0|1,0,0]=3 86 B15R2.629 O=C(O)CN1CC2=CC=CC=C2C1=O BB01-6641 [0,1,0,0,0,1|2,0,0]=4 87 B15R2.4244 CC(C(=O)O)C1=CN2C=CC=CC2=N1 BB17-0302 [0,1,0,0,0,1|1,0,1]=4 88 B15R2.984 CC(=O)C1=CC2=CC=CC=C2OC1=O BB17-2381 [0,1,0,0,0,1|2,0,0]=4 89 B15R2.1601 COC(=O)C1=CC2=C(C=C1)N=CC=C2 BB01-7963 [0,1,0,0,0,1|2,0,0]=4 90 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2C=C1 BB57-5953 [0,1,0,0,0,1|0,0,1]=3 91 B15R2.1601 NNC(=O)C1=CC=C2C=CC=CC2=C1 BB55-0725 [0,1,0,0,0,1|2,0,0]=4 92 B15R2.1601 NNC(=O)C1=NC2=C(C=CC=C2)C=C1 BB58-2157 [0,1,0,0,0,1|1,0,1]=4 93 B15R2.7180 O=C(O)C1=CC=C2C=C(O)C=CC2=C1 BB58-1686 [0,1,0,0,0,1|1,0,0]=3 94 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 BB01-8278 [0,1,0,0,0,1|1,0,0]=3 95 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(O)=C1 BB55-7480 [0,1,0,0,0,1|0,0,1]=3 96 B15R2.1592 CC1=C(C(=O)NN)OC2=C1C=CC=C2 BB55-2109 [0,2,0,0,0,0|2,0,0]=4 97 B15R2.1592 COC(=O)C1=C(N)C2=C(C=CC=C2)S1 BB26-0837 [0,2,0,0,0,0|1,0,0]=3 98 B15R2.7203 CC1=C(C(=O)O)NC2=CC=C(Cl)C=C21 BB01-5003 [0,2,0,0,0,0|0,0,0]=2 99 B15R2.7203 CC1=CC=C2C=C(C(=O)O)N(C)C2=C1 BB57-0308 [0,2,0,0,0,0|0,0,0]=2 100 B15R2.7203 CC1=CC=C2NC(C(=O)O)=C(C)C2=C1 BB01-5001 [0,2,0,0,0,0|0,0,0]=2 101 B15R2.13463 CC1=C(C(=O)O)NC2=C(F)C=CC=C12 BB58-4468 [0,2,0,0,0,0|0,0,0]=2 102 B15R2.14758 CC1=CC2=C(C=C1)C(Cl)=C(C(=O)O)S2 BB55-0661 [0,2,0,0,0,0|1,0,0]=3 103 B15R2.1356 CCOC(=O)C1=CC2=CC=CC=C2O1 BB01-7829 [0,2,0,0,0,0|1,0,0]=3 104 B15R2.1356 CCOC(=O)C1=NC2=CC=CC=C2S1 BB01-3747 [0,2,0,0,0,0|1,0,1]=4 105 B15R2.1590 COC(=O)C1=CC2=C(C=C(Br)C=C2)N1 BB01-4855 [0,2,0,0,0,0|0,0,0]=2 106 B15R2.1590 COC(=O)C1=CC2=C(C=C(C)C=C2)N1 BB01-6436 [0,2,0,0,0,0|0,0,0]=2 107 B15R2.1590 COC(=O)C1=CC2=C(C=CC(Br)=C2)N1 BB01-4854 [0,2,0,0,0,0|0,0,0]=2 108 B15R2.1598 COC(=O)C1=CC2=C(C=CC=C2Br)N1 BB01-4853 [0,2,0,0,0,0|0,0,0]=2 109 B15R2.1598 COC(=O)C1=CC2=C(C=CC=C2Cl)S1 BB58-1549 [0,2,0,0,0,0|1,0,0]=3 110 B15R2.4834 COC1=CC=C2C=C(C(=O)O)NC2=C1 BB01-4371 [0,2,0,0,0,0|0,0,0]=2 111 B15R2.4834 COC1=CC=C2NC(C(=O)O)=CC2=C1 BB01-4451 [0,2,0,0,0,0|0,0,0]=2 112 B15R2.20824 COC1=C2OC(C(=O)O)=CC2=CC=C1 BB58-2766 [0,2,0,0,0,0|1,0,0]=3 113 B15R2.20824 COC1=C2OC(C(C)=O)=CC2=CC=C1 BB01-1114 [0,2,0,0,0,0|2,0,0]=4 114 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 BB01-6108 [0,0,1,1,0,0|2,0,0]=4 115 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 BB55-0123 [0,0,1,1,0,0|2,0,0]=4 116 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 BB01-5800 [0,0,1,1,0,0|1,0,1]=4 117 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 BB01-0941 [0,0,1,1,0,0|2,0,0]=4 118 B13R2.430 O=C(O)C1=CC=C2NC=CC2=C1 BB01-0995 [0,0,1,1,0,0|2,0,0]=4 119 B13R2.5569 O=C(O)C1=C2C=CNC2=CC=C1 BB01-0994 [0,0,1,1,0,0|2,0,0]=4 120 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 BB01-6305 [0,0,1,0,1,0|0,0,2]=4 121 B11R1.86 CC(=O)NC1=CC=CC=C1O BB17-0735 [0,0,1,0,1,0|2,0,0]=4 122 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 BB01-6130 [0,0,1,0,1,0|1,0,1]=4 123 B11R1.86 O=C(O)CC1=CC=CC=C1Cl BB01-6128 [0,0,1,0,1,0|1,0,1]=4 124 B11R1.86 O=C(O)CC1=CC=CC=C1F BB01-6129 [0,0,1,0,1,0|1,0,1]=4 125 B11R1.90 CC1=C(\C=C\C(=O)O)SC=C1 BB01-4109 [0,0,1,0,1,0|2,0,0]=4 126 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 BB57-7194 [1,0,0,0,0,1|0,0,1]=3 127 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 BB01-5679 [1,0,0,0,0,1|1,0,0]=3 128 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 BB57-0554 [1,0,0,0,0,1|2,0,0]=4 129 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 BB01-5977 [1,0,0,0,0,1|0,0,1]=3 130 B15R2.1660 O=C(O)CCC1=NC2=CC=CC=C2N1 BB01-4283 [0,0,0,0,0,2|1,0,0]=3 131 B15R2.1660 O=C(O)CCC1=NC2=CC=CC=C2S1 BB01-4295 [0,0,0,0,0,2|1,0,1]=4 132 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 BB57-0248 [0,0,0,0,0,2|1,0,0]=3