0 B11R1.41 CCOC1=C(NC)C=CC=C1 BB0252391 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.41 COC1=C(CNN)C=CC=C1 BB0219964 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.4 CC1=C(CNN)C=CC=C1 BB0219970 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.4 NCCN1N=CC=CC1=O BB0270149 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.4 NNCC1=C(Cl)C=CC=C1 BB0266305 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.4 O\N=C\C1=C(O)C=CC=C1 BB0290839 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.20 COC1=C(NN)C=CC=C1 BB0219954 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.75 COC1=C(NC(C)=O)C=CC=C1 BB0285402 [0,1,0,0,0,0|2,0,1]=4 8 B12R1.77 COC1=C(C(=O)NN)C=CC=C1 BB0282861 [0,1,0,0,0,0|1,0,1]=3 9 B12R1.169 CCNC1=C(OCC)C=CC=C1 BB0294490 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.283 CCOC1=C([C@H](C)N)C=CC=C1 BB0293033 [0,1,0,0,0,0|3,0,0]=4 11 B12R2.41 C1=CC2=C(C=C1)CCNCC2 BB0237435 [0,0,0,1,0,0|1,0,0]=2 12 B10R1.5 CCC1=NC=CN1CCN BB0258761 [0,0,0,0,1,0|3,0,0]=4 13 B9R1.8 BrCC[N+]1=CC=CC=C1 BB0266020 [2,0,0,0,0,0|2,0,0]=4 14 B9R1.8 NCCC1=NC=CN=C1 BB0250750 [2,0,0,0,0,0|2,0,0]=4 15 B9R1.8 NNCC1=CC=CC=C1 BB0219935 [2,0,0,0,0,0|1,0,0]=3 16 B9R1.8 OCCC1=CC=CC=C1 BB0267987 [2,0,0,0,0,0|1,0,0]=3 17 B9R1.15 CC1=C(CCl)C=CC=C1 BB0267833 [2,0,0,0,0,0|1,0,0]=3 18 B9R1.15 COC1=C(I)C=CC=C1 BB0265900 [2,0,0,0,0,0|1,0,0]=3 19 B9R1.15 ClCC1=C(Cl)C=CC=C1 BB0267828 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.15 FC1=C(CCl)C=CC=C1 BB0267834 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.15 N#CC1=C(N)C=CC=C1 BB0269557 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.15 NCC1=C(I)C=CC=C1 BB0265882 [2,0,0,0,0,0|1,0,0]=3 23 B9R1.15 OCC1=C(I)C=CC=C1 BB0265909 [2,0,0,0,0,0|2,0,0]=4 24 B11R1.17 CC1=C(OCCN)C=CC=C1 BB0288800 [1,1,0,0,0,0|0,0,0]=2 25 B11R1.17 CCNCC1=C(Cl)C=CC=C1 BB0289989 [1,1,0,0,0,0|2,0,0]=4 26 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 BB0218375 [1,1,0,0,0,0|1,0,1]=4 27 B11R1.86 CN(C)CC1=C(O)C=CC=C1 BB0288892 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.86 NC(=S)NC1=C(O)C=CC=C1 BB0245298 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.182 CC1=CC(CNN)=C(C)C=C1 BB0270450 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 BB0240952 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.37 COC1=C(C#N)C=C(N)C=C1 BB0260263 [1,1,0,0,0,0|0,0,2]=4 32 B11R1.37 COC1=C(C#N)C=CC(Br)=C1 BB0220596 [1,1,0,0,0,0|0,0,2]=4 33 B11R1.37 COC1=C(C=O)C=C(Cl)C=C1 BB0254318 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.37 COC1=C(CN)C=C(Cl)C=C1 BB0258668 [1,1,0,0,0,0|0,0,0]=2 35 B11R1.53 CN(C)C1=C(CN)C=CC=C1 BB0258793 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.53 CNC1=C(C(C)C)C=CC=C1 BB0252024 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 BB0218111 [1,1,0,0,0,0|0,0,0]=2 38 B11R1.53 NCC1=C(C(=O)O)C=CC=C1 BB0216194 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.265 COC1=C(C=O)C=CC=C1C BB0221326 [1,1,0,0,0,0|1,0,1]=4 40 B13R1.91 COC1=C(NC(=O)CBr)C=CC=C1 BB0289161 [0,2,0,0,0,0|1,0,1]=4 41 B13R1.380 CC(C)OC1=C(CCN)C=CC=C1 BB0293290 [0,2,0,0,0,0|0,0,0]=2 42 B13R1.90 COC1=C(OCC(=O)O)C=CC=C1 BB0277078 [0,2,0,0,0,0|1,0,1]=4 43 B13R1.90 COC1=C(OCC(=O)[O-])C=CC=C1 BB0277079 [0,2,0,0,0,0|1,0,1]=4 44 B13R1.90 COC1=C(OCC(N)=O)C=CC=C1 BB0278407 [0,2,0,0,0,0|0,0,1]=3 45 B13R1.485 CCCOC1=C(CCN)C=CC=C1 BB0293288 [0,2,0,0,0,0|0,0,0]=2 46 B13R1.572 CCCOC1=C([C@H](C)N)C=CC=C1 BB0293044 [0,2,0,0,0,0|2,0,0]=4 47 B13R1.355 COCC1=C(OC)C=CC(C=O)=C1 BB0267627 [0,2,0,0,0,0|2,0,0]=4 48 B13R1.355 COCC1=C(OC)C=CC(CN)=C1 BB0220230 [0,2,0,0,0,0|2,0,0]=4 49 B13R1.3904 CCOC1=C(OC)C=CC=C1CN BB0292941 [0,2,0,0,0,0|2,0,0]=4 50 B11R1.267 COC1=C(O)C(CN)=CC=C1 BB0293099 [0,0,1,1,0,0|1,0,1]=4 51 B11R2.10 NC1=NC2=C(C=CC=C2)O1 BB0221056 [1,0,0,1,0,0|1,0,1]=4 52 B11R2.20 C1=CC2=C(C=C1)OCCN2 BB0237409 [1,0,0,1,0,0|2,0,0]=4 53 B11R2.55 NC1=C(C2CC2)C=CC=C1 BB0221192 [1,0,0,1,0,0|2,0,0]=4 54 B11R2.1 NC1=NOC2=C1C=CC=C2 BB0218926 [1,0,0,1,0,0|1,0,1]=4 55 B11R2.1 N[C@H]1CCC2=NC=CC=C21 BB0268261 [1,0,0,1,0,0|2,0,0]=4 56 B13R2.582 COC1=C2C(=O)CCC2=CC=C1 BB0268118 [0,1,0,1,0,0|1,0,1]=4 57 B13R2.2931 CN1C=C(CN)C2=C1C=CC=C2 BB0270224 [0,1,0,1,0,0|1,0,1]=4 58 B13R2.162 NC1=CC2=C(C=C1)CCNC2=O BB0270541 [0,1,0,1,0,0|2,0,0]=4 59 B13R2.1 NCCC1=CNC2=C1C=CC=C2 BB0267758 [0,1,0,1,0,0|1,0,1]=4 60 B13R2.1 NCCN1C=CC2=C1C=CC=C2 BB0269973 [0,1,0,1,0,0|1,0,1]=4 61 B13R2.1 NCCN1C=NC2=C1C=CC=C2 BB0216589 [0,1,0,1,0,0|1,0,1]=4 62 B13R2.45 CN1C(CN)=CC2=C1C=CC=C2 BB0220043 [0,1,0,1,0,0|1,0,1]=4 63 B13R2.57 NC[C@H]1COC2=C(C=CC=C2)O1 BB0251426 [0,1,0,1,0,0|0,0,0]=2 64 B13R2.573 COC1=CC=CC2=C1CCC2=O BB0268360 [0,1,0,1,0,0|1,0,0]=3 65 B9R1.33 CC1=NC=CN1CCN BB0219985 [1,0,0,0,1,0|2,0,0]=4