0 B10R1.64 CC(=O)CC1=C(C=CO1)C CNP0076562.0 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.64 CC(=O)C[N+]1=C(SC=C1)N CNP0595155.0 [0,0,0,0,0,0|3,1,0]=4 2 B10R1.64 CC(=O)SC1=C(OCC1)C CNP0082049.0 [0,0,0,0,0,0|0,0,2]=2 3 B10R1.64 CC1=C(SC=N1)CC(=O)O CNP0480742.0 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.13 CC(=O)NC1=NNC=C1 CNP0230807.0 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [1,0,0,0,0,0|2,1,0]=4 7 B9R1.13 CC(=O)OC1=CNN=C1 CNP0168778.0 [1,0,0,0,0,0|2,1,0]=4 8 B9R1.13 O=C(O)CC1=CSC=C1 CNP0525463.0 [1,0,0,0,0,0|2,1,0]=4 9 B9R1.33 CN1N=CC=C1NC=O CNP0332631.0 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.33 CSSC1=C(OC=C1)C CNP0370281.0 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.645 CC(=O)OC1=CC(=O)OC1=O CNP0292888.0 [0,1,0,0,0,0|1,1,0]=3 12 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [0,0,1,0,0,0|3,0,0]=4 13 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [0,0,1,0,0,0|2,0,1]=4 14 B11R2.36 CC1=NN=C2OC=CC2=N1 CNP0153624.0 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [0,0,0,0,1,0|2,0,1]=4 16 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,0,0,0,1,0|2,0,0]=3 17 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,0,0,0,1,0|2,0,0]=3 19 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [0,0,0,0,1,0|1,0,2]=4 20 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [0,0,0,0,1,0|2,0,0]=3 21 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [0,0,0,0,1,0|1,0,2]=4 22 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [0,0,0,0,1,0|2,0,0]=3 23 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [0,0,0,0,1,0|1,0,0]=2 24 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.41 CC1=C(OC=N1)C(=O)N CNP0037619.0 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.41 CN1N=CC=C1C(=O)O CNP0141031.0 [0,0,0,0,1,0|3,0,0]=4 29 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [0,0,0,0,0,1|2,0,0]=3 31 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [0,0,0,0,0,1|2,1,0]=4 34 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [0,0,0,0,0,1|1,1,0]=3 35 B11R1.86 CC(=O)OC1=COC=CC1=O CNP0156706.0 [0,0,0,0,0,1|2,1,0]=4 36 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [0,0,0,0,0,1|2,0,0]=3 37 B11R1.157 CC(=O)NC1=CC=CC(=C1)Cl CNP0192017.0 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.157 CC(=O)NC1=CC=CC(=C1)N CNP0368887.0 [0,0,0,0,0,1|3,0,0]=4 39 B11R1.157 CC(=O)NC1=CC=CC(=C1)O CNP0605398.0 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.157 CC(=O)NC1=CC=CC(=N1)C CNP0225853.0 [0,0,0,0,0,1|2,0,0]=3 41 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [0,0,0,0,0,1|1,1,0]=3 42 B11R1.157 CC(=O)OC1=CC=CC(=C1)O CNP0341697.0 [0,0,0,0,0,1|2,1,0]=4 43 B11R1.157 CC1=CC=CC(=C1)CC(=O)O CNP0296551.0 [0,0,0,0,0,1|3,0,0]=4 44 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [1,0,1,0,0,0|2,0,0]=4 45 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [1,0,1,0,0,0|1,0,1]=4 46 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,0,1,0,0,0|1,0,1]=4 47 B8R0.15 C=CC(=CC=O)C(=O)O CNP0182283.0 [1,0,1,0,0,0|2,0,0]=4 48 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [2,0,0,0,0,0|0,0,0]=2 51 B10R0.74 CC=CC=CC=CC(=O)OC CNP0127753.0 [0,1,1,0,0,0|2,0,0]=4 52 B10R1.23 CC(=O)C(=O)C1=COC=C1 CNP0289332.0 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.27 CC(=CC1=COC=C1)C=O CNP0316442.0 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.54 CC(=O)NC1=NOC(=C1)C CNP0569291.0 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.130 CSSC1=C(OC(=C1)C)C CNP0237474.0 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.39 CC(=O)C1=CNC=C1CO CNP0148283.0 [0,1,0,0,1,0|2,0,0]=4 57 B10R1.39 CCN1C=CC=C1C(=O)C CNP0359899.0 [0,1,0,0,1,0|2,0,0]=4 58 B10R1.39 COC1=C(OC=C1)C(=O)C CNP0427618.0 [0,1,0,0,1,0|2,0,0]=4 59 B10R1.59 CC(=O)C1=C(N=C(O1)C)C CNP0224102.0 [0,1,0,0,1,0|2,0,0]=4 60 B10R1.59 CC(=O)C1=C(N=C(S1)C)C CNP0002407.0 [0,1,0,0,1,0|2,0,0]=4 61 B10R1.59 CC(=O)C1=C(OC(=C1)C)C CNP0003652.0 [0,1,0,0,1,0|0,0,0]=2 62 B10R1.59 CC(=O)C1=C(SC(=C1)C)C CNP0002469.0 [0,1,0,0,1,0|0,1,0]=3 63 B12R1.75 CCC1=CC=CC=C1NC(=O)C CNP0050892.0 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.75 CCC1=CC=CC=C1OC(=O)C CNP0564873.0 [0,1,0,0,0,1|1,1,0]=4 65 B12R1.75 COC1=CC=CC=C1CC(=O)C CNP0594983.0 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.75 COC1=CC=CC=C1NC(=O)C CNP0070988.0 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.75 COC1=CC=CC=C1OC(=O)C CNP0214774.0 [0,1,0,0,0,1|1,1,0]=4 68 B12R1.127 CC(=O)NC1=CC(=CC=C1C)C CNP0227044.0 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Cl CNP0258094.0 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.127 CC(=O)OC1=CC(=CC=C1C)C CNP0142228.0 [0,1,0,0,0,1|1,1,0]=4 71 B12R1.224 CC(=O)NC1=CC=CC(=C1C)C CNP0173088.0 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.224 CC(=O)NC1=CC=CC(=C1C)Cl CNP0343401.0 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.233 CC(=O)NC1=CC=C(C=C1C)C CNP0024058.0 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.233 CC(=O)NC1=CC=C(C=C1C)Cl CNP0052006.0 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.233 CC(=O)OC1=CC=C(C=C1C)O CNP0077014.0 [0,1,0,0,0,1|1,1,0]=4 76 B12R1.1009 CC(=O)NC1=C(C=CC=C1C)C CNP0022970.0 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.19 CC(=O)OC1=CC=C(C(=C1)C)O CNP0297817.0 [0,1,0,0,0,1|1,1,0]=4 78 B12R1.101 CC(=O)OC1=CC(=CC(=C1)C)C CNP0595654.0 [0,1,0,0,0,1|1,1,0]=4 79 B12R1.101 CC(=O)OC1=CC(=CC(=C1)O)C CNP0121903.0 [0,1,0,0,0,1|1,1,0]=4 80 B12R1.101 CC(=O)OC1=CC(=O)OC(=C1)C CNP0194677.0 [0,1,0,0,0,1|0,1,0]=3 81 B12R1.438 CCC1=CC=CC(=C1)OC(=O)C CNP0076431.0 [0,1,0,0,0,1|1,1,0]=4 82 B12R1.854 CC(=O)OC1=C(OC(C1=O)C)C CNP0003152.0 [0,2,0,0,0,0|0,1,1]=4 83 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,0,1,1,0,0|2,0,0]=4 84 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,0,1,1,0,0|2,0,0]=4 85 B10R2.32 CC1=C2SCCC2=CO1 CNP0230641.0 [1,0,0,1,0,0|0,0,1]=3 86 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,0,0,1,0,1|2,0,0]=4 87 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,0,0,1,0,1|2,0,0]=4 88 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,0,0,1,0,1|1,1,0]=4 89 B12R2.202 CC1=C2OC(=O)C=C2C=CO1 CNP0534449.0 [0,0,0,1,0,1|0,1,1]=4 90 B12R2.606 CC1=CC2=CC(=O)OC2=CO1 CNP0522560.0 [0,0,0,1,0,1|2,0,0]=4 91 B12R2.246 CC1=CC(=C2OC=CC2=C1)C CNP0283975.0 [0,1,0,1,0,0|2,0,0]=4 92 B12R2.246 CC1=CC(=O)OC2=C1OC=C2 CNP0311589.0 [0,1,0,1,0,0|0,1,1]=4 93 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [1,0,0,0,1,0|2,0,0]=4 94 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [1,0,0,0,1,0|2,0,0]=4 95 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [1,0,0,0,1,0|2,0,0]=4 96 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [1,0,0,0,1,0|2,0,0]=4 97 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [1,0,0,0,1,0|0,1,0]=3 98 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [1,0,0,0,1,0|2,0,0]=4 99 B8R1.7 CC(=O)N1C=CN=C1 CNP0241131.0 [1,0,0,0,1,0|2,0,0]=4 100 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [1,0,0,0,1,0|0,0,2]=4 101 B8R1.7 O=C(Cl)C1=COC=C1 CNP0176972.0 [1,0,0,0,1,0|1,0,0]=3 102 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [1,0,0,0,1,0|2,0,0]=4 103 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [1,0,0,0,1,0|1,0,0]=3 104 B8R1.7 O=C(O)C1=CON=C1 CNP0604481.0 [1,0,0,0,1,0|2,0,0]=4 105 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [1,0,0,0,1,0|1,1,0]=4 106 B10R1.4 CC1=CC=CC=C1NC=O CNP0055612.0 [1,0,0,0,0,1|2,0,0]=4 107 B10R1.4 CC=CC1=NC=CN=C1C CNP0073358.0 [1,0,0,0,0,1|2,0,0]=4 108 B12R1.125 CC(=O)NCC1=CN=CC=C1C CNP0202151.0 [0,0,0,0,0,2|2,0,0]=4 109 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [0,0,0,0,0,2|1,1,0]=4 110 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [0,0,0,0,0,2|1,1,0]=4