0 B13R1.547 COC(=O)C1=C([N+](=O)[O-])C=CC=N1 CS-0316717 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.547 COC(=O)C1=C([N+](=O)[O-])N=CC=C1 CS-0699156 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.547 COC(=O)C1=CC=CC=C1C(C)C CS-0154275 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.547 COC(=O)C1=CC=CC=C1C(F)F CS-0210666 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.547 COC(=O)C1=CC=CC=C1C(N)=O CS-0150660 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.547 COC(=O)C1=CC=CC=C1N(C)C CS-0313334 [0,0,0,0,0,0|0,0,0]=0 6 B13R1.547 COC(=O)C1=NC=CC=C1C(C)=O CS-1027012 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.77 C=CC1=CC=CC=C1C(=O)OC CS-0162905 [1,0,0,0,0,0|1,0,1]=3 8 B12R1.77 CNC(=O)C1=CC=CC=C1NC CS-0248171 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.77 CNC1=CC=CC=C1C(=O)NN CS-0343708 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.77 COC(=O)C1=C(C=O)N=CC=C1 CS-0215082 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.77 COC(=O)C1=NC=CC=C1C#N CS-0308426 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.77 COC1=CC=CC=C1C(=O)C#N CS-0317271 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.77 CSC1=CC=CC=C1C(=O)NN CS-0460952 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.261 CC(=O)C1=C(C(F)F)C=CC=C1 CS-0532020 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.261 CC(=O)C1=CC=CC=C1C(C)=O CS-0261352 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.261 CC(C)C1=CC=CC=C1[N+](=O)[O-] CS-0063158 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.261 CN(C)C1=CC=CC=C1C(=O)O CS-0658679 [1,0,0,0,0,0|0,0,0]=1 18 B12R1.261 CN(C)C1=CC=CC=C1[N+](=O)[O-] CS-0019247 [1,0,0,0,0,0|1,0,1]=3 19 B12R1.261 CN(C)C1=NC=CC=C1C(=O)O CS-0248220 [1,0,0,0,0,0|1,0,0]=2 20 B12R1.261 CS(=O)C1=CC=CC=C1C(=O)O CS-0449421 [1,0,0,0,0,0|2,0,0]=3 21 B12R1.283 CN(C)C1=CC=CC=C1CNN CS-0243197 [1,0,0,0,0,0|2,0,1]=4 22 B14R1.623 CCOC(=O)C1=CC=CC=C1N(C)C CS-0199746 [0,1,0,0,0,0|0,0,0]=1 23 B14R1.707 COC(=O)C1=C(B(O)O)C=CC(C)=C1 CS-0119595 [0,1,0,0,0,0|3,0,0]=4 24 B14R1.707 COC(=O)C1=C(N(C)C)C=CC(Br)=C1 CS-0151330 [0,1,0,0,0,0|0,0,0]=1 25 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(O)=C1 CS-0210731 [0,1,0,0,0,0|2,0,1]=4 26 B14R1.707 COC(=O)C1=CC(Cl)=CC=C1C(=O)O CS-0541749 [0,1,0,0,0,0|3,0,0]=4 27 B14R1.745 COC(=O)C1=CC=CN=C1S(C)(=O)=O CS-0080844 [0,1,0,0,0,0|3,0,0]=4 28 B14R1.746 CNC(=O)C1=C(C(=O)NC)C=CC=C1 CS-0018019 [0,1,0,0,0,0|3,0,0]=4 29 B14R1.746 COC(=O)C1=C(C(=O)OC)C=CC=C1 CS-0138256 [0,1,0,0,0,0|2,0,0]=3 30 B14R1.1164 COC(=O)C1=C(N(=O)=O)C=CC=C1N CS-0205361 [0,1,0,0,0,0|2,0,1]=4 31 B14R2.1131 COC1=C2C=CC=CC2=C(C)C=C1 CS-0504655 [0,0,0,1,0,0|2,0,1]=4 32 B14R2.4510 CN1CCCC(=O)C2=CC=CC=C21 CS-0236409 [0,0,0,1,0,0|1,0,0]=2 33 B14R2.10655 O=C(CBr)C1=CC=CC=C1C2CC2 CS-0521564 [0,0,0,1,0,0|3,0,0]=4 34 B14R1.744 COC(=O)C1=CC=CC=C1CN(C)C CS-0314160 [0,0,0,0,0,1|0,0,0]=1 35 B14R1.744 COC(=O)C1=CC=CC=C1OC(C)C CS-0667676 [0,0,0,0,0,1|1,0,0]=2 36 B14R1.3302 COC(=O)NC1=CC=CC=C1C(=O)O CS-0258308 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.41 CCOC1=CC=CC=C1NC CS-0224173 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.53 C=CC1=CC=CC=C1C(=O)O CS-0313033 [2,0,0,0,0,0|1,0,1]=4 39 B11R1.53 CCC1=CC=CC=C1C(C)=O CS-0308287 [2,0,0,0,0,0|1,0,0]=3 40 B11R1.53 CN(C)C1=C(CO)C=CC=N1 CS-0300221 [2,0,0,0,0,0|1,0,1]=4 41 B11R1.53 CN(C)C1=CC=CC=C1CN CS-0151311 [2,0,0,0,0,0|1,0,1]=4 42 B11R1.53 COC1=C(S(=O)O)C=CC=C1 CS-1019646 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.53 COC1=CC=CC=C1C(C)C CS-0154273 [2,0,0,0,0,0|1,0,0]=3 44 B11R1.53 COC1=CN=CC=C1C(C)=O CS-0082296 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.53 NNC1=CC=CC=C1C(=O)O CS-0666897 [2,0,0,0,0,0|1,0,0]=3 46 B11R1.222 CC1=CC=CC=C1C(=O)C=O CS-0223502 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.222 CCC(=O)C1=C(Br)C=CC=C1 CS-0038403 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.222 CCC(=O)C1=CC=CC=C1F CS-W018096 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.222 CCC(=O)C1=CC=CC=C1N CS-0215393 [2,0,0,0,0,0|1,0,0]=3 50 B11R1.222 CCC(=O)C1=NC=CC=C1C CS-0210061 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.222 CNC(=O)C1=NC=CC=C1C CS-0091298 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 CS-0107308 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 CS-0111580 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.222 COC(=O)C1=C(I)C=CC=N1 CS-0150862 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.222 COC(=O)C1=NC=CC=C1C CS-0037427 [2,0,0,0,0,0|1,0,0]=3 56 B11R1.222 [Li]OC(=O)C1=CC=CC=C1O CS-0013649 [2,0,0,0,0,0|2,0,0]=4 57 B13R1.89 COC1=CC=CC=C1C(=O)C(C)C CS-0574404 [1,1,0,0,0,0|2,0,0]=4 58 B13R1.89 COC1=CC=CC=C1C(=O)N(C)C CS-0261320 [1,1,0,0,0,0|2,0,0]=4 59 B13R1.107 CCC1=C(C(=O)OC)C=CC=C1O CS-0152551 [1,1,0,0,0,0|1,0,0]=3 60 B13R1.107 COC(=O)C1=C(CBr)C(F)=CC=C1 CS-0150859 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.107 COC(=O)C1=CC=CC(I)=C1CBr CS-0438085 [1,1,0,0,0,0|2,0,0]=4 62 B13R1.382 CCNC1=CC=CC=C1C(=O)OC CS-0261588 [1,1,0,0,0,0|0,0,0]=2 63 B13R1.382 COC(=O)C1=CC=CC=C1CC#N CS-W017457 [1,1,0,0,0,0|1,0,1]=4 64 B13R1.382 COC(=O)C1=CC=CC=C1NC=O CS-0327406 [1,1,0,0,0,0|0,0,1]=3 65 B13R1.464 C#CC1=CC=CC=C1C(=O)OCC CS-0361449 [1,1,0,0,0,0|1,0,1]=4 66 B13R1.464 CCOC(=O)C1=CC=CC=C1C=O CS-W006512 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.464 CCOC(=O)C1=CC=CC=C1CCl CS-0700509 [1,1,0,0,0,0|2,0,0]=4 68 B13R1.464 CCOC(=O)C1=CC=CC=C1NC CS-0019162 [1,1,0,0,0,0|0,0,0]=2 69 B13R1.2065 CCC(=O)C1=C(OC)C=C(Cl)C=C1 CS-0152663 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.2065 CNC(=O)C1=C(OC)C=C(Br)C=C1 CS-0211168 [1,1,0,0,0,0|2,0,0]=4 71 B13R1.2065 CNC(=O)C1=CC=C(N)C=C1OC CS-0524225 [1,1,0,0,0,0|2,0,0]=4 72 B13R1.2065 CNC1=CC(Br)=CC=C1C(=O)OC CS-0771679 [1,1,0,0,0,0|0,0,0]=2 73 B13R1.2065 COC(=O)C1=CC=C(N)C=C1C#N CS-0094317 [1,1,0,0,0,0|2,0,0]=4 74 B13R1.2209 CCC(=O)C1=C(OC)C=CC(Cl)=C1 CS-0262134 [1,1,0,0,0,0|2,0,0]=4 75 B13R1.2209 CCC(=O)C1=C(OC)C=CC(F)=C1 CS-0248167 [1,1,0,0,0,0|2,0,0]=4 76 B13R1.2209 CCC(=O)C1=CC(C)=CC=C1OC CS-0225956 [1,1,0,0,0,0|2,0,0]=4 77 B13R1.2209 COC(=O)C1=CC(F)=CC=C1CBr CS-0005237 [1,1,0,0,0,0|2,0,0]=4 78 B13R1.2209 COC(=O)C1=CC(I)=CC=C1C#N CS-0608045 [1,1,0,0,0,0|2,0,0]=4 79 B13R1.2209 COC(=O)C1=CC(O)=CC=C1OC CS-0195852 [1,1,0,0,0,0|1,0,0]=3 80 B13R1.2357 CNC1=CC=CC(Cl)=C1C(=O)OC CS-0151028 [1,1,0,0,0,0|0,0,0]=2 81 B13R1.2357 COC(=O)C1=C(C=O)C=CC=C1F CS-0161414 [1,1,0,0,0,0|2,0,0]=4 82 B13R1.2357 COC(=O)C1=C(Cl)C=CC=C1CBr CS-0094074 [1,1,0,0,0,0|2,0,0]=4 83 B13R1.2357 COC(=O)C1=C(N)C=NC=C1OC CS-0340815 [1,1,0,0,0,0|2,0,0]=4 84 B13R1.2357 COC(=O)C1=C(OC)C=CC=C1Cl CS-0468784 [1,1,0,0,0,0|1,0,0]=3 85 B13R1.2357 COC(=O)C1=C(OC)C=CC=C1N CS-0187467 [1,1,0,0,0,0|1,0,0]=3 86 B13R1.165 CC(N)C1=CC(F)=CC=C1N(C)C CS-0259943 [1,1,0,0,0,0|1,0,1]=4 87 B13R1.165 CN(C)C1=C([N+](=O)[O-])C=C(Br)C=C1 CS-0186967 [1,1,0,0,0,0|1,0,1]=4 88 B13R1.165 CN(C)C1=CC(Br)=CC=C1C(=O)O CS-0251364 [1,1,0,0,0,0|0,0,0]=2 89 B13R1.295 CC1=C(N(C)C)C(C(C)C)=CC=C1 CS-0320657 [1,1,0,0,0,0|1,0,1]=4 90 B13R1.295 CN(C)C1=CC=CC(F)=C1C(N)=O CS-0161591 [1,1,0,0,0,0|1,0,0]=3 91 B15R1.925 COC(=O)C1=C(NC(C)=O)C=CC(Cl)=C1 CS-0314206 [0,1,0,0,0,1|2,0,0]=4 92 B15R1.984 COC(=O)C1=CC=CC=C1C(=O)N(C)C CS-0661391 [0,1,0,0,0,1|0,0,0]=2 93 B15R1.3847 COC(=O)C1=C(NC(=O)CBr)C=CC=C1 CS-0264811 [0,1,0,0,0,1|2,0,0]=4 94 B15R1.3847 COC(=O)C1=CC=CC=C1NC(=O)CCl CS-0116502 [0,1,0,0,0,1|2,0,0]=4 95 B15R1.11372 COC(=O)C1=CC=CC=C1NS(C)(=O)=O CS-0455183 [0,1,0,0,0,1|2,0,0]=4 96 B15R1.1274 CC(C)C1=C(NC(=O)CCCl)C=CC=C1 CS-0713914 [0,1,0,0,0,1|2,0,0]=4 97 B15R1.8875 CC(C)C1=CC=CC=C1NC(=O)C(C)Cl CS-0241487 [0,1,0,0,0,1|2,0,0]=4 98 B15R1.11678 COC(=O)C1=C(S(C)(=O)=O)C=C(Cl)C=C1 CS-0671746 [0,2,0,0,0,0|2,0,0]=4 99 B15R1.38509 COC(=O)C1=CC=CC(C)=C1C(=O)OC CS-0061145 [0,2,0,0,0,0|2,0,0]=4 100 B13R1.15 COC(=O)\C=C\C1=CC=CC(C)=N1 CS-0037297 [0,0,1,1,0,0|2,0,0]=4 101 B13R1.2137 COC1=CC=CC(N(C)C)=C1C=O CS-0441921 [0,0,1,1,0,0|2,0,0]=4 102 B13R2.371 CN1C=CC(=O)C2=C1C=CC=C2 CS-0227130 [1,0,0,1,0,0|1,0,1]=4 103 B13R2.582 CCC1=CC=CC2=C1C(=O)CC2 CS-0749109 [1,0,0,1,0,0|2,0,0]=4 104 B13R2.582 COC1=CC=CC2=C1C(=O)OC2 CS-0197112 [1,0,0,1,0,0|1,0,0]=3 105 B13R2.5252 O=C1CCCOC2=CC=CC=C12 CS-0006412 [1,0,0,1,0,0|2,0,0]=4 106 B13R2.5252 O=C1CCCSC2=CC=CC=C12 CS-0251118 [1,0,0,1,0,0|2,0,0]=4 107 B13R2.5252 O=C1NCCSC2=CC=CC=C12 CS-0183826 [1,0,0,1,0,0|2,0,0]=4 108 B13R2.5514 O=C(O)C1=C(C2CC2)C=CC=C1 CS-0038748 [1,0,0,1,0,0|1,0,0]=3 109 B13R2.12159 CC1(C)NC(=O)C2=CC=CC=C21 CS-0051620 [1,0,0,1,0,0|2,0,0]=4 110 B15R2.19309 COC(=O)C1=C2N=C(C)OC2=CC=C1 CS-0735615 [0,0,0,1,0,1|2,0,0]=4 111 B15R2.23388 COC(=O)C1CC(=O)C2=C1C=CC=C2 CS-0088357 [0,0,0,1,0,1|2,0,0]=4 112 B15R2.7340 CN1C(=O)CNC(=O)C2=C1C=CC=C2 CS-0037043 [0,1,0,1,0,0|1,0,1]=4 113 B15R2.19310 COC(=O)C1=C2C(=CC=C1)NCC2C CS-0757003 [0,1,0,1,0,0|1,0,0]=3 114 B15R2.14787 CC1(C)CCC(=O)C2=C1C=C(Br)C=C2 CS-0061119 [0,1,0,1,0,0|2,0,0]=4 115 B11R1.59 CCN1C=CC=C1C(=O)OC CS-0212685 [1,0,0,0,1,0|2,0,0]=4 116 B11R1.178 CC(C)C1=CNC=C1C(=O)O CS-0290489 [1,0,0,0,1,0|2,0,0]=4 117 B11R1.178 CC(C)N1C=CC=C1C(=O)O CS-0117683 [1,0,0,0,1,0|2,0,0]=4 118 B13R1.543 COC(=O)C1=CC=CC(C(C)Br)=C1 CS-0453143 [0,0,0,0,1,1|2,0,0]=4