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|3,0,1]=4 2 B10R1.17 N#CNCC1=CN=CC=C1 BB12-1080 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.17 [C-]#[N+]CCC1=CC=NC=C1 BB56-1803 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.8 N#CCC1=NC=CC=C1 BB53-1348 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 BB56-0588 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 BB56-1200 [1,0,0,0,0,0|2,0,1]=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|2,0,1]=4 10 B11R1.1 CC1=CC=C(CNC#N)C=C1 BB12-1087 [0,1,0,0,0,0|2,0,1]=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|2,0,1]=4 15 B11R1.1 N#CNCC1=CC=C(F)C=C1 BB12-1083 [0,1,0,0,0,0|2,0,1]=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|2,0,1]=4 20 B11R1.16 CCOC(=O)C1=CC=NC=C1 BB12-2749 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.16 CN(CCN)C1=CC=CC=C1 BB56-2834 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.16 CNCC(O)C1=CC=CC=C1 BB12-2195 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.16 OC(CCCl)C1=CC=CC=C1 BB12-1401 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.17 CC1=CC=CC=C1CNC#N BB12-1086 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.17 ClC1=C(OCCBr)C=CC=C1 BB17-1653 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.17 N#CNCC1=CC=CC=C1Cl BB12-1084 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.17 N#CNCC1=CC=CC=C1F BB12-1082 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.24 CC1=CC=CC(OCCBr)=C1 BB17-1659 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.28 C=CCNCC1=CC=CC=C1 BB20-4594 [0,1,0,0,0,0|1,0,1]=3 30 B11R1.28 NCCSCC1=CC=CC=C1 BB53-1385 [0,1,0,0,0,0|0,1,0]=2 31 B11R1.28 OCCNCC1=CC=CC=C1 BB17-0809 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.40 CCC(N)CC1=CC=CC=C1 BB17-0798 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.40 NC(CO)CC1=CC=CC=C1 BB01-6619 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB12-3947 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.91 CC(N)\C=C\C1=CC=CC=C1 BB12-1707 [0,1,0,0,0,0|1,0,1]=3 36 B9R1.12 CCCCN1C=CN=C1 BB12-1487 [0,0,0,0,1,0|3,0,0]=4 37 B9R1.12 CCNCC1=CSC=N1 BB12-3138 [0,0,0,0,1,0|3,0,0]=4 38 B10R1.1 CNCC1=CC=C(Cl)N=C1 BB53-1663 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.1 CNCC1=CC=C(O)C=C1 BB12-1375 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.1 CSCC1=CC=C(Cl)N=C1 BB53-1554 [1,1,0,0,0,0|1,1,0]=4 41 B10R1.1 N#CCC1=CC=C(N)C=C1 BB12-4851 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.1 [C-]#[N+]CC1=CC=C(Cl)C=C1 BB56-1770 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.4 CC1=CC=CC=C1CCN BB12-2271 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.4 CCNC1=CC=CC=C1N BB12-3022 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.10 CNCC1=CC(O)=CC=C1 BB12-1357 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.15 COC(=O)C1=CC=NC=C1 BB20-4674 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.15 NC(CO)C1=CC=CC=C1 BB01-6618 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.1 COCCNC1=CC=C(N)C=C1 BB17-2677 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.1 ClC1=CC=C(OCCCBr)C=C1 BB17-1667 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 BB17-0336 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 BB01-6281 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.69 CCCNC1=CC=C(C)C=C1Cl BB01-7301 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.71 CCCCC1=CC=C(NN)C=C1 BB56-0060 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.30 CN(CCCN)C1=CC=CC=C1 BB01-5316 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.267 CNCCNC1=C(C)C=CC=C1 BB12-1636 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.374 CCCNC1=CC(F)=CC=C1F BB01-7300 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.252 O=C(O)COCC1=CC=CC=C1 BB01-5008 [0,2,0,0,0,0|0,0,1]=3 62 B12R2.24 NC1=NC2=C(C=N1)COCC2 BB53-1717 [0,1,0,1,0,0|2,0,0]=4 63 B12R2.2 C1=CC(C2CCCN2)=CC=N1 BB56-0307 [0,1,0,1,0,0|2,0,0]=4 64 B12R2.2 C1=CC=C(C2CCCN2)C=C1 BB01-4666 [0,1,0,1,0,0|1,0,0]=3 65 B12R2.2 C1=CN=C(C2CCCN2)C=C1 BB56-1572 [0,1,0,1,0,0|2,0,0]=4 66 B12R2.32 CNC1CC2=CC=CC=C2C1 BB53-1624 [0,1,0,1,0,0|2,0,0]=4 67 B8R1.8 CCCC1=CNN=C1 BB12-3540 [1,0,0,0,1,0|2,0,0]=4 68 B8R1.8 CCCN1C=CN=C1 BB12-1504 [1,0,0,0,1,0|2,0,0]=4 69 B8R1.8 NCCC1=CC=CO1 BB01-5388 [1,0,0,0,1,0|2,0,0]=4