0 B11R1.280 COC1=C(O)C=CC(C#N)=C1 BB_SC-12404 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.280 COC1=CC(C=O)=C(O)C=C1 BB_SC-09407 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.280 COC1=CC(C=O)=CC=C1O BB_NC-02264 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.280 COC1=CC(CO)=CC=C1O BB_NC-02797 [0,0,0,0,0,0|0,0,2]=2 4 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 BB_SC-06583 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.176 NCC1=CC(Cl)=C(O)C=C1 BB_SC-12456 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 BB_SC-04600 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.176 O=CC1=CC(O)=C(O)C=C1 BB_NC-02317 [1,0,0,0,0,0|0,0,0]=1 8 B10R1.176 O=CC1=CC=C(F)C(Br)=C1 BB_SC-04540 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.176 O=CC1=CC=C(F)C(Cl)=C1 BB_SC-04543 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.56 COC1=C(N)C=CC([N+](=O)[O-])=C1 BB_SC-07114 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.56 COC1=CC(C(=O)O)=CC=C1O BB_NC-02254 [0,1,0,0,0,0|0,0,0]=1 12 B12R1.56 COC1=CC(C(C)=O)=CC=C1O BB_NC-02250 [0,1,0,0,0,0|0,0,0]=1 13 B12R1.56 O=CC1=C(O)C=CC([N+](=O)[O-])=C1 BB_SC-06612 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.78 COC1=C(CCl)C=C(C=O)C=C1 BB_SC-04015 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.78 COC1=CC=C(C=O)C=C1OC BB_NC-02052 [0,1,0,0,0,0|0,0,0]=1 16 B12R1.78 COC1=CC=C(CO)C=C1OC BB_SC-09385 [0,1,0,0,0,0|0,0,2]=3 17 B12R1.270 CCOC1=CC(C=O)=CC=C1O BB_NC-02247 [0,1,0,0,0,0|0,0,0]=1 18 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 BB_NC-00470 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.286 CCCC1=CC=C(O)C(OC)=C1 BB_NC-00503 [0,1,0,0,0,0|1,0,1]=3 20 B12R1.300 COC1=C(O)C(I)=CC(C=O)=C1 BB_SC-01456 [0,1,0,0,0,0|0,0,0]=1 21 B12R1.300 COC1=CC(C=O)=CC(O)=C1O BB_SC-05967 [0,1,0,0,0,0|0,0,0]=1 22 B12R1.453 COC1=CC=C(O)C(C(C)=O)=C1 BB_NC-02804 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.453 O=CC1=CC=C(Cl)C([N+](=O)[O-])=C1 BB_SC-03272 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.44 NCC1=CC2=C(C=C1)OCO2 BB_SC-02862 [0,0,0,1,0,0|1,0,1]=3 25 B12R2.44 O=CC1=CC2=C(C=C1)OCO2 BB_SC-02400 [0,0,0,1,0,0|0,0,0]=1 26 B12R2.44 O=CC1=CC=C2C=CNC2=C1 BB_SC-04710 [0,0,0,1,0,0|2,0,1]=4 27 B12R2.44 O=CC1=CC=C2NC=CC2=C1 BB_SC-04604 [0,0,0,1,0,0|2,0,1]=4 28 B12R2.44 OCC1=CC2=C(C=C1)OCO2 BB_NC-01744 [0,0,0,1,0,0|0,0,2]=3 29 B9R1.2 CC1=CC=CC(CCl)=C1 BB_SC-07069 [2,0,0,0,0,0|1,0,1]=4 30 B9R1.2 CC1=CC=CC(NN)=C1 BB_SC-06209 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.2 COC1=CC=CC(N)=C1 BB_SC-07166 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.2 COC1=CC=CC(O)=C1 BB_SC-06850 [2,0,0,0,0,0|0,0,1]=3 33 B9R1.2 CSC1=CC(N)=CC=C1 BB_SC-07267 [2,0,0,0,0,0|1,1,0]=4 34 B9R1.2 O=CC1=CC(F)=CC=C1 BB_SC-03369 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.2 O=CC1=NC(Br)=CC=C1 BB_SC-04737 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.15 COC1=C(N)C=CC=N1 BB_SC-07758 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.15 N#CC1=C(O)C=CC=C1 BB_SC-04062 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.15 O=CC1=C(O)C=CC=C1 BB_SC-09449 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.69 CC1=C(N)C=CC(Cl)=C1 BB_SC-07251 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.69 CC1=C(N)C=CC(I)=C1 BB_SC-11750 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.69 CC1=CC(=O)C=CC1=O BB_NC-03240 [2,0,0,0,0,0|0,0,1]=3 42 B9R1.69 CC1=CC(C)=C(O)C=C1 BB_SC-06950 [2,0,0,0,0,0|0,0,1]=3 43 B9R1.69 NC1=CC(Cl)=CC=C1O BB_SC-07145 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.1 CNC1=CC=C(O)C=C1 BB_SC-07044 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.1 NC1=CC=C(C=O)C=C1 BB_NC-02192 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.1 O=CC1=CC=C(F)C=C1 BB_SC-03254 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.1 O=CC1=CC=C(O)C=C1 BB_NC-02207 [2,0,0,0,0,0|0,0,0]=2 48 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 BB_SC-06880 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.167 CC(=O)C1=CC(N)=CC=C1O BB_NC-02592 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.167 CC(=O)C1=CC(O)=CC=C1O BB_SC-06838 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.182 CNCC1=C(O)C=CC(Br)=C1 BB_SC-12593 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.189 COC1=CC(N=C=S)=CC=C1 BB_SC-01849 [1,1,0,0,0,0|0,1,1]=4 53 B11R1.266 COC1=CC(C(C)=O)=CC=C1 BB_SC-06240 [1,1,0,0,0,0|0,0,0]=2 54 B11R1.266 COC1=NC=CC(C(=O)O)=C1 BB_SC-04908 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 BB_SC-03750 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.266 O=CC1=CC([N+](=O)[O-])=CC=C1 BB_SC-09047 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.267 COC1=CC=CC(C=O)=C1O BB_NC-00156 [1,1,0,0,0,0|0,0,0]=2 58 B11R1.14 O=CC1=CC(F)=C(F)C(F)=C1 BB_SC-11362 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 BB_SC-06208 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.21 CC1=C(N)C=CC([N+](=O)[O-])=C1 BB_SC-06742 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.21 NC(=O)C1=CC=C(Cl)C(N)=C1 BB_SC-07921 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.21 NC(=O)C1=CC=C(F)C(N)=C1 BB_SC-10911 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 BB_SC-09640 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.21 NC1=C(O)C=CC([N+](=O)[O-])=C1 BB_SC-01352 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.21 NC1=CC(C(=O)O)=CC=C1F BB_SC-10660 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.21 NC1=CC=C(C(=O)O)C=C1N BB_SC-02405 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.21 NC1=CC=C(C(=O)O)C=C1S BB_SC-05037 [1,1,0,0,0,0|1,1,0]=4 68 B11R1.21 NC1=CC=C([N+](=O)[O-])C=C1O BB_SC-06686 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.21 O=C(Cl)C1=CC(F)=C(F)C=C1 BB_SC-10725 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 BB_SC-03271 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 BB_SC-03262 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 BB_SC-04580 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.21 O=C(O)C1=CC=C(F)C(F)=C1 BB_SC-04572 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 BB_NC-02256 [1,1,0,0,0,0|0,0,0]=2 75 B11R1.192 C=CCC1=CC=C(O)C(O)=C1 BB_NC-00472 [1,1,0,0,0,0|1,0,0]=3 76 B11R1.192 NCCC1=CC(O)=C(O)C=C1 BB_NC-01356 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.278 O=CC1=CC=C(F)C(F)=C1F BB_SC-04558 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.279 COC1=C(O)C=C(C=O)C=C1 BB_NC-02245 [1,1,0,0,0,0|0,0,0]=2 79 B13R1.13 CC(=O)C1=CC=C(O)C(C(N)=O)=C1 BB_SC-07121 [0,2,0,0,0,0|2,0,0]=4 80 B13R1.49 CCC(=O)C1=CC=C(O)C(OC)=C1 BB_NC-00331 [0,2,0,0,0,0|0,0,0]=2 81 B13R1.49 CCC(O)C1=CC=C(O)C(OC)=C1 BB_NC-00076 [0,2,0,0,0,0|0,0,2]=4 82 B13R1.3091 COC1=CC=C(C(=O)Cl)C=C1OC BB_SC-03122 [0,2,0,0,0,0|0,0,0]=2 83 B13R1.3091 COC1=CC=C(C(C)=O)C=C1OC BB_SC-12397 [0,2,0,0,0,0|0,0,0]=2 84 B13R1.99 COC1=CC=C(C(=O)O)C(OC)=C1 BB_SC-09427 [0,2,0,0,0,0|2,0,0]=4 85 B13R1.386 C=CCC1=CC(OC)=C(OC)C=C1 BB_NC-00711 [0,2,0,0,0,0|1,0,0]=3 86 B13R1.386 CC=CC1=CC=C(OC)C(OC)=C1 BB_NC-00656 [0,2,0,0,0,0|1,0,0]=3 87 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 BB_SC-12415 [0,2,0,0,0,0|1,0,1]=4 88 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 BB_SC-02804 [0,2,0,0,0,0|1,0,1]=4 89 B13R1.433 COC1=CC(C=O)=CC(OC)=C1O BB_NC-01418 [0,2,0,0,0,0|0,0,0]=2 90 B11R2.36 NC1=CC2=C(C=C1)OCO2 BB_SC-12006 [1,0,0,1,0,0|1,0,0]=3 91 B11R2.36 OC1=CC2=C(C=C1)OCO2 BB_NC-01237 [1,0,0,1,0,0|0,0,1]=3 92 B11R2.36 OC1=CC2=C(C=C1)OCO2 BB_NC-02931 [1,0,0,1,0,0|0,0,1]=3 93 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCC2 BB_NC-02760 [0,1,0,1,0,0|1,0,0]=3 94 B13R2.430 CC(=O)C1=CC=C2NCCC2=C1 BB_SC-05893 [0,1,0,1,0,0|2,0,0]=4 95 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 BB_NC-02054 [0,1,0,1,0,0|0,0,0]=2 96 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 BB_SC-00693 [0,1,0,1,0,0|0,0,0]=2 97 B13R2.449 CC=CC1=CC2=C(C=C1)OCO2 BB_NC-00744 [0,1,0,1,0,0|1,0,0]=3 98 B13R2.449 CCNC1=CC=C2OCOC2=C1 BB_SC-05357 [0,1,0,1,0,0|1,0,1]=4 99 B13R2.449 S=C=NC1=CC=C2OCOC2=C1 BB_SC-01834 [0,1,0,1,0,0|0,1,1]=4 100 B13R2.654 O=CC1=CC(Cl)=C2OCOC2=C1 BB_SC-07648 [0,1,0,1,0,0|0,0,0]=2 101 B9R1.132 CC1=CC=C(C=O)N1C BB_SC-07546 [1,0,0,0,1,0|2,0,0]=4