0 B10R1.17 BrCCOC1=CC=CC=C1 BB17-1654 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 N#CCCC1=NC=CC=C1 BB12-1756 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 N#CNCC1=CN=CC=C1 BB12-1080 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 [C-]#[N+]CCC1=CC=NC=C1 BB56-1803 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.8 N#CCC1=NC=CC=C1 BB53-1348 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 BB56-0588 [1,0,0,0,0,0|0,0,2]=3 7 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 BB56-1200 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.1 BrCCOC1=CC=C(Br)C=C1 BB17-1661 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.1 C(=O)NCC1=CC=C(C)C=C1 BB20-3386 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.1 CC1=CC=C(CNC#N)C=C1 BB12-1087 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.1 CC1=CC=C(NCCO)C=C1 BB17-0653 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.1 CC1=CC=C(SCCN)C=C1 BB53-1425 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.1 ClC1=CC=C(OCCBr)C=C1 BB17-1649 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.1 N#CNCC1=CC=C(Cl)C=C1 BB12-1085 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.1 N#CNCC1=CC=C(F)C=C1 BB12-1083 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.1 NCCOC1=CC=C(N)C=C1 BB53-1635 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.1 NCCSC1=CC=C(Cl)C=C1 BB56-2705 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.1 OCCNC1=CC=C(Cl)C=C1 BB17-0633 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.16 CC(N=C=O)C1=CC=CC=C1 BB12-1551 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.16 CN(CCN)C1=CC=CC=C1 BB56-2834 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.16 CNCC(O)C1=CC=CC=C1 BB12-2195 [0,1,0,0,0,0|0,0,0]=1 22 B11R1.16 OC(CCCl)C1=CC=CC=C1 BB12-1401 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.17 CC1=CC=CC=C1CNC#N BB12-1086 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.17 ClC1=C(OCCBr)C=CC=C1 BB17-1653 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.17 N#CNCC1=CC=CC=C1Cl BB12-1084 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.17 N#CNCC1=CC=CC=C1F BB12-1082 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.24 CC1=CC=CC(OCCBr)=C1 BB17-1659 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.28 C=CCNCC1=CC=CC=C1 BB20-4594 [0,1,0,0,0,0|1,0,1]=3 29 B11R1.28 NCCSCC1=CC=CC=C1 BB53-1385 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.28 OCCNCC1=CC=CC=C1 BB17-0809 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.40 CCC(N)CC1=CC=CC=C1 BB17-0798 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.40 NC(CO)CC1=CC=CC=C1 BB01-6619 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.40 NNC(=O)CC1=NC=CC=C1 BB12-2162 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.40 NNC(=S)NC1=CC=CC=C1 BB12-2786 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.91 CC(N)\C=C\C1=CC=CC=C1 BB12-1707 [0,1,0,0,0,0|1,0,2]=4 36 B11R1.91 NC(=S)COC1=CC=CC=C1 BB20-4704 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB12-2585 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.12 CCCCN1C=CN=C1 BB12-1487 [0,0,0,0,1,0|3,0,0]=4 39 B10R1.1 CNCC1=CC=C(Cl)N=C1 BB53-1663 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.1 CNCC1=CC=C(O)C=C1 BB12-1375 [1,1,0,0,0,0|0,0,0]=2 41 B10R1.1 CSCC1=CC=C(Cl)N=C1 BB53-1554 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.1 N#CCC1=CC=C(N)C=C1 BB12-4851 [1,1,0,0,0,0|0,0,2]=4 43 B10R1.1 [C-]#[N+]CC1=CC=C(Cl)C=C1 BB56-1770 [1,1,0,0,0,0|0,0,2]=4 44 B10R1.4 CC1=CC=CC=C1CCN BB12-2271 [1,1,0,0,0,0|0,0,0]=2 45 B10R1.4 CCNC1=CC=CC=C1N BB12-3022 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.10 CNCC1=CC(O)=CC=C1 BB12-1357 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [1,1,0,0,0,0|0,0,0]=2 50 B10R1.15 N=C(NO)C1=CC=CC=C1 BB20-3129 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.15 NC(CO)C1=CC=CC=C1 BB01-6618 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [1,1,0,0,0,0|0,0,1]=3 53 B10R1.15 NNC(=O)C1=CC=CC=C1 BB20-4243 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.15 N\N=C(/N)C1=CC=CC=C1 BB10-1016 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.1 COCCNC1=CC=C(N)C=C1 BB17-2677 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.1 ClC1=CC=C(OCCCBr)C=C1 BB17-1667 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 BB01-6281 [0,2,0,0,0,0|1,0,1]=4 58 B12R1.69 CCCNC1=CC=C(C)C=C1Cl BB01-7301 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.71 CCCCC1=CC=C(NN)C=C1 BB56-0060 [0,2,0,0,0,0|1,0,0]=3 60 B12R1.30 CN(CCCN)C1=CC=CC=C1 BB01-5316 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB12-2875 [0,2,0,0,0,0|1,0,1]=4 62 B12R1.267 CNCCNC1=C(C)C=CC=C1 BB12-1636 [0,2,0,0,0,0|0,0,0]=2 63 B12R1.374 CCCNC1=CC(F)=CC=C1F BB01-7300 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 BB12-2907 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BB17-0801 [0,2,0,0,0,0|1,0,1]=4 66 B12R1.27 NNC(=O)COC1=CC=CC=C1 BB12-2509 [0,2,0,0,0,0|1,0,1]=4 67 B12R1.252 O=C(O)COCC1=CC=CC=C1 BB01-5008 [0,2,0,0,0,0|2,0,0]=4 68 B10R2.7 C1=CC2=C(C=C1)NN=N2 BB01-6327 [1,0,0,1,0,0|2,0,0]=4 69 B12R2.2 C1=CC(C2CCCN2)=CC=N1 BB56-0307 [0,1,0,1,0,0|2,0,0]=4 70 B12R2.2 C1=CC=C(C2CCCN2)C=C1 BB01-4666 [0,1,0,1,0,0|1,0,0]=3 71 B12R2.2 C1=CN=C(C2CCCN2)C=C1 BB56-1572 [0,1,0,1,0,0|2,0,0]=4 72 B12R2.32 CNC1CC2=CC=CC=C2C1 BB53-1624 [0,1,0,1,0,0|0,0,0]=2 73 B12R2.196 CN1C=CC2=C(N)C=CC=C21 BB26-0150 [0,1,0,1,0,0|0,0,2]=4 74 B12R2.18 CC1CC2=CC=CC=C2C1=O BB12-2283 [0,1,0,1,0,0|2,0,0]=4 75 B12R2.18 CN1C2=CC=CC=C2N=C1Cl BB12-1469 [0,1,0,1,0,0|1,0,1]=4 76 B8R1.8 CCCC1=CNN=C1 BB12-3540 [1,0,0,0,1,0|2,0,0]=4 77 B8R1.8 CCCN1C=CN=C1 BB12-1504 [1,0,0,0,1,0|2,0,0]=4 78 B8R1.8 NCCC1=CC=CO1 BB01-5388 [1,0,0,0,1,0|1,0,0]=3 79 B8R1.8 NCCN1C=CN=C1 BB56-2159 [1,0,0,0,1,0|2,0,0]=4 80 B8R1.8 NCCN1C=CN=C1 BB56-2917 [1,0,0,0,1,0|2,0,0]=4