0 B11R1.17 NC1=C(OCCO)C=CC=C1 BB_SC-09062 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.4 C=CCC1=CC=CC=C1O BB_SC-01155 [1,0,0,0,0,0|1,0,2]=4 2 B10R1.4 CNCC1=CC=CN=C1Cl BB_SC-12155 [1,0,0,0,0,0|1,1,0]=3 3 B10R1.4 FC1=CC=CC=C1N=C=S BB_SC-01853 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.17 BrCCCC1=CC=CC=C1 BB_SC-06825 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.17 CCCNC1=CC=CC=C1 BB_SC-00067 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.17 CCNCC1=CC=CC=C1 BB_SC-07011 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.17 CNCCC1=NC=CC=C1 BB_SC-03651 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.17 NCCCC1=CC=CC=C1 BB_NC-02053 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 NCCOC1=CC=CC=C1 BB_SC-07340 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 NCCSC1=CC=CC=C1 BB_SC-08556 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 OCCNC1=CC=CC=C1 BB_SC-07138 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 OCCOC1=CC=CC=C1 BB_SC-02741 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 S=C=NCC1=CC=CC=C1 BB_SC-06549 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BB_SC-09488 [0,1,0,0,0,0|2,1,0]=4 15 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 BB_SC-07353 [0,1,0,0,0,0|3,0,0]=4 16 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BB_NC-00768 [0,0,0,1,0,0|3,0,0]=4 17 B12R2.32 NCC1CC2=CC=CC=C2O1 BB_SC-03440 [0,0,0,1,0,0|3,0,0]=4 18 B12R2.32 OCC1CC2=CC=CC=C2O1 BB_SC-02420 [0,0,0,1,0,0|3,0,0]=4 19 B12R2.196 CN1C=CC2=C(N)C=CC=C21 BB_NC-02622 [0,0,0,1,0,0|1,0,2]=4 20 B10R1.29 CNCCC1=C(C)N=CS1 BB_SC-09770 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.8 BrCCC1=CC=CC=C1 BB_SC-06958 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.8 CCNC1=CC=CC=C1 BB_SC-06979 [2,0,0,0,0,0|1,0,0]=3 23 B9R1.8 CNCC1=CC=CC=C1 BB_SC-06901 [2,0,0,0,0,0|0,0,0]=2 24 B9R1.8 CNCC1=CC=CC=N1 BB_SC-11116 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.8 COCC1=CC=CC=C1 BB_SC-07026 [2,0,0,0,0,0|1,0,0]=3 26 B9R1.8 ClCCC1=CC=CC=C1 BB_SC-04527 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.8 NCCC1=CC=CC=C1 BB_SC-12701 [2,0,0,0,0,0|0,0,0]=2 28 B9R1.8 NNCC1=CC=CC=C1 BB_SC-06489 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.8 OCCC1=CC=CC=C1 BB_NC-03339 [2,0,0,0,0,0|1,0,0]=3 30 B9R1.8 OCCC1=NC=CC=C1 BB_SC-11215 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.15 CC1=CC=CC=C1CCl BB_SC-07008 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.15 CC1=CC=CC=C1NN BB_SC-06250 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.15 CNC1=C(N)C=CC=N1 BB_SC-09969 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.15 ClCC1=C(Cl)C=CC=C1 BB_SC-06882 [2,0,0,0,0,0|1,1,0]=4 35 B9R1.15 N#CC1=C(F)C=CC=C1 BB_SC-03292 [2,0,0,0,0,0|0,0,2]=4 36 B9R1.15 NC1=C(CO)C=CC=C1 BB_SC-05568 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.15 NCC1=C(Cl)C=CC=C1 BB_SC-06959 [2,0,0,0,0,0|0,1,0]=3 38 B9R1.15 NCC1=C(F)C=CC=C1 BB_SC-04585 [2,0,0,0,0,0|0,0,0]=2 39 B9R1.15 NNC1=C(Br)C=CC=C1 BB_SC-02803 [2,0,0,0,0,0|1,1,0]=4 40 B9R1.15 NNC1=CC=CC=C1F BB_SC-06248 [2,0,0,0,0,0|1,0,0]=3 41 B11R1.41 COC1=CC=CC=C1CCN BB_NC-02180 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.182 CNCC1=C(O)C=CC(Br)=C1 BB_SC-12593 [1,1,0,0,0,0|1,0,0]=3 43 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 BB_SC-06886 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.222 CNC(=O)C1=CC=CC=C1O BB_SC-00487 [1,1,0,0,0,0|1,0,1]=4 45 B11R1.1 CCCCC1=CC=C(N)C=C1 BB_SC-07013 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.1 CCCOC1=CC=C(O)C=C1 BB_SC-06487 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.16 CCCC(=O)C1=CC=CC=C1 BB_SC-06998 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.28 CCCCCC1=CC=CC=N1 BB_NC-00787 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.28 CNCCOC1=CC=CC=C1 BB_SC-07821 [1,1,0,0,0,0|0,0,0]=2 50 B11R1.28 NCCCNC1=CC=CC=C1 BB_SC-07342 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.28 NCCNCC1=CC=CC=C1 BB_SC-11219 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.28 NCCOCC1=CC=CC=C1 BB_SC-12131 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.28 OCCNCC1=CC=CC=C1 BB_SC-05464 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.28 S=C=NCCC1=CC=CC=C1 BB_NC-02795 [1,1,0,0,0,0|0,0,2]=4 55 B11R1.40 COC(=O)CC1=CC=CC=C1 BB_SC-07169 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BB_SC-02103 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.91 CC(=O)CCC1=CC=CC=C1 BB_SC-06936 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.91 CC(N)CCC1=CC=CC=C1 BB_NC-02304 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.91 O=C(O)CCC1=CC=CC=C1 BB_NC-02055 [1,1,0,0,0,0|2,0,0]=4 60 B13R1.84 CNCCOC1=C(OC)C=CC=C1 BB_NC-02455 [0,2,0,0,0,0|1,0,0]=3 61 B13R1.202 CN(C)C(=O)CC1=CC=CC=C1N BB_SC-08129 [0,2,0,0,0,0|1,0,1]=4 62 B13R1.158 CN(C)CCOC1=C(N)C=CC=C1 BB_SC-12441 [0,2,0,0,0,0|1,0,0]=3 63 B11R2.20 C1=CC2=C(C=C1)CNCC2 BB_NC-02179 [1,0,0,1,0,0|1,0,0]=3 64 B11R2.20 C1=CC=C2NCCCC2=C1 BB_SC-07271 [1,0,0,1,0,0|1,0,0]=3 65 B13R2.18 NC1=C(N2CCCC2)C=CC=C1 BB_SC-05224 [0,1,0,1,0,0|2,0,0]=4 66 B13R2.26 CNCC1=NC2=CC=CC=C2N1 BB_SC-09302 [0,1,0,1,0,0|1,0,1]=4 67 B9R1.33 CNCC1=CC=CN1C BB_SC-09778 [1,0,0,0,1,0|2,0,0]=4