0 B12R1.78 COC1=C(OC)C=C(NN)C=C1 CS-W006381 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.78 COC1=CC(C#N)=CC=C1C=O CS-W018926 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.78 COC1=CC(OC)=C(CO)C=C1 CS-W007584 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.78 COC1=CC=C(C=O)C(OC)=C1 CS-W020102 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.78 COC1=CC=C(CN)C(OC)=C1 CS-W008632 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.78 COC1=CC=C(OC)C(C=O)=C1 CS-W007635 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.37 COC1=C(C#N)C=CC(F)=C1 CS-W014294 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.37 COC1=C(C#N)C=CC(N)=C1 CS-W006863 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.37 COC1=C(C=O)C=C(C)C=C1 CS-M1298 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.37 COC1=C(C=O)C=CC(Br)=C1 CS-W007792 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.37 COC1=C(C=O)C=CC(F)=C1 CS-W018054 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.37 COC1=C(C=O)C=CC(O)=C1 CS-W016303 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.37 COC1=C(CO)C=CC(Br)=C1 CS-W005395 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.37 COC1=C(OC)C=C(F)C=C1 CS-W004941 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.37 COC1=CC(C)=CC=C1C=O CS-W021710 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.37 COC1=CC(Cl)=CC=C1C#N CS-0115635 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.37 COC1=CC(O)=CC=C1CO CS-0099797 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.37 COC1=CC=C(Cl)C=C1C#N CS-W017825 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.279 COC1=C(Br)C=C(CO)C=C1 CS-W008397 [1,0,0,0,0,0|1,0,2]=4 19 B11R1.279 COC1=C(F)C=C(C=O)C=C1 CS-W007614 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.279 COC1=CC=C(C=O)C=C1I CS-0041339 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.279 COC1=CC=C(OC)C(N)=C1 CS-W020681 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 CS-W005212 [1,0,0,0,0,0|1,0,0]=2 23 B11R1.280 COC1=C(N)C=CC(C#N)=C1 CS-W006078 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.280 COC1=CC(C#N)=CC=C1O CS-0046224 [1,0,0,0,0,0|1,0,1]=3 25 B13R1.355 CCOC1=CC(C=O)=CC=C1OC CS-M2547 [0,1,0,0,0,0|0,0,0]=1 26 B13R1.386 COC1=CC=C(CC#N)C=C1OC CS-0008419 [0,1,0,0,0,0|1,0,1]=3 27 B13R1.386 COC1=CC=C(CCN)C=C1OC CS-W023192 [0,1,0,0,0,0|1,0,1]=3 28 B13R1.1249 CNCC1=CC=C(OC)C=C1OC CS-0045322 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.2200 COC1=C(OC)C=C(C#N)C(N)=C1 CS-W017332 [0,1,0,0,0,0|1,0,1]=3 30 B13R1.2430 COC1=CC=C(C=O)C=C1C(=O)O CS-Z0022 [0,1,0,0,0,0|2,0,0]=3 31 B13R1.2430 COC1=CC=C(C=O)C=C1[N+](=O)[O-] CS-W008450 [0,1,0,0,0,0|2,0,0]=3 32 B13R1.3091 COC1=CC=C([N+](=O)[O-])C=C1C=O CS-0043160 [0,1,0,0,0,0|3,0,0]=4 33 B13R2.57 C(=O)C1=CC=C2OCCOC2=C1 CS-D1456 [0,0,0,1,0,0|0,0,0]=1 34 B13R2.57 OCC1=CC=C2OCCOC2=C1 CS-0036298 [0,0,0,1,0,0|0,0,2]=3 35 B13R2.669 CN1N=CC2=C1C=C(C=O)C=C2 CS-0037487 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.20 COC1=CC=CC=C1NN CS-W002166 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.25 COC1=C(Br)C=C(O)C=C1 CS-W018919 [2,0,0,0,0,0|1,0,1]=4 38 B10R1.25 COC1=C(N)C=C(Br)C=C1 CS-W007885 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.25 COC1=C(N)C=C(F)C=C1 CS-W008250 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.25 COC1=C(O)C=C(Br)C=C1 CS-W007658 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.25 COC1=CC=C(Br)C=C1I CS-0028792 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.25 COC1=CC=C(C)C=C1I CS-0067552 [2,0,0,0,0,0|1,0,1]=4 43 B10R1.25 COC1=CC=C(I)C=C1Br CS-0097745 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.25 COC1=CC=C(N)C=C1C CS-W008093 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.30 COC1=C(Br)C=CC(O)=C1 CS-W008128 [2,0,0,0,0,0|1,0,1]=4 46 B10R1.30 COC1=C(C)C=CC(Br)=C1 CS-W008193 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 CS-W005884 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.30 COC1=C(Cl)C=CC(N)=C1 CS-W016214 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.30 COC1=C(F)C=CC(N)=C1 CS-W005619 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.30 COC1=C(O)C=CC(N)=C1 CS-W008263 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.30 COC1=CC(Br)=CC=C1Br CS-0040073 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.30 COC1=CC(Br)=CN=C1C CS-W022320 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.30 COC1=CC(C)=CC=C1N CS-W021709 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.30 COC1=CC(C)=CC=C1O CS-W021711 [2,0,0,0,0,0|0,0,1]=3 55 B10R1.30 COC1=CC(Cl)=CC=C1N CS-0042669 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.30 COC1=CC(Cl)=CC=C1O CS-0096842 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.30 COC1=CC(I)=CC=C1Cl CS-0041284 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.30 COC1=NC(Br)=CC=C1O CS-0046307 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.3 C#CC1=CC=C(C=O)C=C1 CS-W008115 [2,0,0,0,0,0|1,0,1]=4 60 B10R1.3 CNC1=CC=C(OC)C=C1 CS-W013331 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.3 COC1=CC=C(C#N)C=C1 CS-W013398 [2,0,0,0,0,0|1,0,1]=4 62 B10R1.3 COC1=CC=C(NN)C=C1 CS-W007694 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.3 COC1=CC=C([N+]#N)C=C1 CS-W009319 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.3 COC1=CN=C(C=O)C=C1 CS-W005343 [2,0,0,0,0,0|1,0,0]=3 65 B10R1.3 COC1=CN=C(C=O)C=N1 CS-0054598 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 CS-W018591 [2,0,0,0,0,0|1,0,0]=3 67 B10R1.176 CC1=C(C)C=C(C#N)C=C1 CS-W019474 [2,0,0,0,0,0|1,0,1]=4 68 B10R1.176 CC1=CC=C(CN)C=C1C CS-0039163 [2,0,0,0,0,0|1,0,1]=4 69 B10R1.176 CC1=CC=C(CO)C=C1C CS-0044039 [2,0,0,0,0,0|0,0,2]=4 70 B10R1.176 COC1=CC(O)=C(C)C=C1 CS-W005841 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 CS-W007483 [2,0,0,0,0,0|1,0,0]=3 72 B10R1.176 O=CC1=CC(Cl)=C(Br)C=C1 CS-W005655 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.176 O=CC1=CC(Cl)=C(Cl)C=C1 CS-W007504 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 CS-W007521 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.176 O=CC1=CC(F)=C(O)C=C1 CS-W014392 [2,0,0,0,0,0|1,0,0]=3 76 B10R1.176 O=CC1=CC=C(F)C(Br)=C1 CS-B1308 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.176 O=CC1=CC=C(I)C(O)=C1 CS-0038831 [2,0,0,0,0,0|1,0,0]=3 78 B10R1.172 COC1=CC=CC(C=O)=C1 CS-W007346 [2,0,0,0,0,0|0,0,0]=2 79 B10R1.172 COC1=NC=CC(C=O)=C1 CS-D1632 [2,0,0,0,0,0|1,0,0]=3 80 B10R1.172 COC1=NC=CC(C=O)=N1 CS-W006622 [2,0,0,0,0,0|2,0,0]=4 81 B12R1.46 COC1=CC=C(Br)C=C1C(C)=O CS-0100836 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.48 CCC1=CC=C(C(=O)O)C=C1N CS-0030449 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 CS-W017706 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 CS-W023099 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.48 COC1=CC=C(C(C)=O)C=C1F CS-W017811 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1F CS-0007667 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1O CS-B1762 [1,1,0,0,0,0|1,0,0]=3 88 B12R1.48 COC1=NC=C(C(=O)O)C=C1Br CS-0041802 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.48 COC1=NC=C([N+](=O)[O-])C=C1C CS-0063957 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.301 COC1=C(Br)C=C(C=O)C=C1Br CS-0061915 [1,1,0,0,0,0|1,0,0]=3 91 B12R1.450 COC1=C(F)C=C(C=O)C(F)=C1 CS-W017627 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 CS-W017876 [1,1,0,0,0,0|0,0,0]=2 93 B12R1.56 COC1=CC(B(O)O)=CC=C1C CS-W016069 [1,1,0,0,0,0|1,0,1]=4 94 B12R1.56 COC1=CC(B(O)O)=CC=C1O CS-0044961 [1,1,0,0,0,0|1,0,1]=4 95 B12R1.56 COC1=CC(C(=O)O)=CC=C1N CS-M0329 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1Br CS-W014685 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1C CS-W017839 [1,1,0,0,0,0|1,0,0]=3 98 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1O CS-W005249 [1,1,0,0,0,0|1,0,0]=3 99 B12R1.270 CCOC1=CC(C#N)=CC=C1O CS-Z0025 [1,1,0,0,0,0|1,0,1]=4 100 B12R1.270 CCOC1=CC(C=O)=CC=C1Br CS-0041871 [1,1,0,0,0,0|1,0,0]=3 101 B12R1.300 COC1=C(O)C(O)=CC(C=O)=C1 CS-0043430 [1,1,0,0,0,0|0,0,0]=2 102 B12R1.449 COC1=C(Br)C=C(F)C(C=O)=C1 CS-0089647 [1,1,0,0,0,0|1,0,0]=3 103 B12R1.449 COC1=C(F)C=C(Br)C(C=O)=C1 CS-0097503 [1,1,0,0,0,0|1,0,0]=3 104 B12R1.453 O=CC1=CC=C(O)C([N+](=O)[O-])=C1 CS-W019280 [1,1,0,0,0,0|2,0,0]=4 105 B14R1.2334 COC(=O)C1=CC=C(C#N)C=C1OC CS-0043191 [0,2,0,0,0,0|1,0,1]=4 106 B14R1.441 CCOC1=CC(C(N)=O)=CC=C1OC CS-Z0024 [0,2,0,0,0,0|0,0,0]=2 107 B14R1.2315 COC(=O)C1=CC(C=O)=CC=C1OC CS-M3114 [0,2,0,0,0,0|0,0,0]=2 108 B14R1.1864 COC(=O)C1=CC=C(C=O)C(OC)=C1 CS-0038404 [0,2,0,0,0,0|2,0,0]=4 109 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC CS-M1302 [0,2,0,0,0,0|1,0,0]=3 110 B14R1.576 COC1=CC(C=O)=CC(OC)=C1OC CS-W010602 [0,2,0,0,0,0|0,0,0]=2 111 B14R1.101 COC1=CC(C=O)=CC=C1OC(F)F CS-W023076 [0,2,0,0,0,0|0,0,0]=2 112 B14R1.2310 COC1=CC=C(C=O)C(OC)=C1OC CS-W009209 [0,2,0,0,0,0|0,0,0]=2 113 B14R1.3720 COC1=CC=C(C=O)C=C1C(F)(F)F CS-0096777 [0,2,0,0,0,0|2,0,0]=4 114 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 CS-W008084 [1,0,0,1,0,0|2,0,0]=4 115 B12R2.24 BrC1=CC=C2CCCOC2=C1 CS-0028282 [1,0,0,1,0,0|2,0,0]=4 116 B12R2.44 N#CC1=CC=C2OCOC2=C1 CS-D1495 [1,0,0,1,0,0|1,0,1]=4 117 B12R2.44 NCC1=CC2=C(C=C1)OCO2 CS-W016315 [1,0,0,1,0,0|1,0,1]=4 118 B12R2.44 O=CC1=CC=C2N=COC2=C1 CS-W006738 [1,0,0,1,0,0|1,0,1]=4 119 B14R2.1101 COC1=CC(C=O)=CC2=C1OCO2 CS-0036206 [0,1,0,1,0,0|0,0,0]=2 120 B14R2.781 CC(=O)C1=CC2=C(C=C1)NCCC2 CS-B1053 [0,1,0,1,0,0|2,0,0]=4 121 B14R2.781 CC(=O)C1=CC=C2OCCOC2=C1 CS-W019478 [0,1,0,1,0,0|0,0,0]=2 122 B14R2.781 O=C(O)C1=CC2=C(C=C1)NCCC2 CS-W006431 [0,1,0,1,0,0|2,0,0]=4 123 B12R1.1879 COC1=NC=CC(C=O)=C1OC CS-0095049 [0,0,0,0,1,1|0,0,0]=2 124 B12R1.58 COC1=CC(CO)=CC(OC)=C1 CS-W017809 [0,0,0,0,1,1|0,0,2]=4