0 B10R1.21 CNCCCC1=CNN=C1 BB55-6198 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.21 NCCSCC1=CC=CO1 BB58-0598 [0,0,0,0,0,0|2,1,0]=3 2 B10R1.21 OCCNCC1=CC=CS1 BB55-8220 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.21 S=C=NCCC1=CC=CS1 BB55-6127 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.12 BrCCCN1C=CC=N1 BB12-3122 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.12 CCCCN1C=CN=C1 BB12-1487 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.12 CCNCC1=CC=CO1 BB01-4781 [1,0,0,0,0,0|1,1,0]=3 7 B9R1.12 CCNCC1=CSC=N1 BB12-3138 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.12 CCNCC1=NC=CN1 BB55-8371 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.12 CCNCC1=NC=CS1 BB55-8358 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.12 CNCCC1=CC=CS1 BB55-8320 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.12 NCCCC1=CC=CO1 BB01-5828 [1,0,0,0,0,0|1,1,0]=3 12 B9R1.12 NCCCC1=NC=CN1 BB57-3660 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.12 NCCCN1C=CC=N1 BB56-2920 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.12 O=C=NCC1=CC=CS1 BB12-1538 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.4 CCCCNCC1=CC=CS1 BB53-1762 [0,1,0,0,0,0|0,0,0]=1 16 B11R1.4 ClCCCCCC1=CC=CS1 BB54-1790 [0,1,0,0,0,0|0,0,0]=1 17 B11R1.27 CC1=CN=C(CNCCO)S1 BB55-8354 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.27 CCCCCC1=NNC(N)=N1 BB58-4106 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.27 CCCOCC1=NN=C(N)S1 BB55-7860 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.172 CC(C)CNCC1=NC=CN1 BB55-8372 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.172 CC(C)CNCC1=NC=CS1 BB55-8359 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.172 CC(O)CNCC1=NC=CS1 BB55-8361 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.172 O=C(O)CSCC1=CC=CS1 BB01-3297 [0,1,0,0,0,0|2,0,1]=4 24 B11R2.2 C1=CC(C2CCCN2)=NO1 BB57-1444 [0,0,0,1,0,0|3,0,0]=4 25 B11R2.2 C1=CN(C2CCNC2)N=C1 BB58-3632 [0,0,0,1,0,0|3,0,0]=4 26 B11R2.2 C1=COC(C2CCCN2)=C1 BB05-3960 [0,0,0,1,0,0|1,1,0]=3 27 B11R2.2 C1=COC(C2CCCN2)=C1 BB56-0036 [0,0,0,1,0,0|1,1,0]=3 28 B11R2.2 C1=CSC(C2CCCN2)=C1 BB05-3961 [0,0,0,1,0,0|1,0,0]=2 29 B11R2.2 C1=CSC(C2CCCN2)=C1 BB55-3981 [0,0,0,1,0,0|1,0,0]=2 30 B11R2.2 C1=CSC(C2CCCN2)=N1 BB56-0885 [0,0,0,1,0,0|2,0,0]=3 31 B11R2.2 C1=NC(C2CCCC2)=NN1 BB12-3425 [0,0,0,1,0,0|3,0,0]=4 32 B11R2.2 C1=NC(C2CCNC2)=CN1 BB58-0331 [0,0,0,1,0,0|3,0,0]=4 33 B11R2.2 C1=NNC(C2CCCN2)=C1 BB57-1411 [0,0,0,1,0,0|3,0,0]=4 34 B11R2.2 C1=NOC(C2CCCN2)=C1 BB58-0383 [0,0,0,1,0,0|2,1,0]=4 35 B11R2.18 C1=NNC2=C1CCCCC2 BB54-5724 [0,0,0,1,0,0|2,0,0]=3 36 B11R2.385 C1=CNC(CNC2CC2)=C1 BB57-0376 [0,0,0,1,0,0|2,0,0]=3 37 B11R2.385 C1=CNC(CNC2CC2)=N1 BB55-8291 [0,0,0,1,0,0|3,0,0]=4 38 B11R2.385 C1=CSC(CNC2CC2)=N1 BB55-8300 [0,0,0,1,0,0|2,0,0]=3 39 B11R2.385 C1=NC=C(CNC2CC2)S1 BB55-8303 [0,0,0,1,0,0|2,0,0]=3 40 B11R1.28 N#CCCCC1=NC=CC=C1 BB54-3757 [0,0,0,0,0,1|2,0,1]=4 41 B11R1.28 NCCCCC1=NC=CC=C1 BB54-4080 [0,0,0,0,0,1|2,0,0]=3 42 B11R1.28 NCCOCC1=CC=CC=C1 BB55-4803 [0,0,0,0,0,1|3,0,0]=4 43 B11R1.28 NCCSCC1=CC=CC=C1 BB53-1385 [0,0,0,0,0,1|3,0,0]=4 44 B11R1.28 OCCNCC1=CC=CC=C1 BB17-0809 [0,0,0,0,0,1|3,0,0]=4 45 B8R1.8 CCCC1=CC=CS1 BB05-4767 [2,0,0,0,0,0|0,0,0]=2 46 B8R1.8 CNCC1=CN=CS1 BB58-0523 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.8 CNCC1=NC=CS1 BB55-8215 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.8 NCCC1=CC=CO1 BB01-5388 [2,0,0,0,0,0|1,1,0]=4 49 B10R1.16 CCCCN1C=CC(N)=N1 BB05-2478 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.16 CCCCN1C=CC(N)=N1 BB57-3148 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.16 CCNCC1=NC(C)=CS1 BB55-8388 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.27 CCC(=O)CC1=CC=CO1 BB54-3617 [1,1,0,0,0,0|0,1,1]=4 53 B10R1.66 CC(C)NCC1=CN=CS1 BB55-8302 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.66 CC(N)CCC1=CC=CO1 BB05-2102 [1,1,0,0,0,0|0,1,0]=3 55 B12R1.1 CCCNCC1=CC=C(Cl)C=C1 BB32-2425 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.8 NCCCNCC1=CC=CC=C1 BB05-3473 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.28 CCCCOC1=CC=CC(N)=C1 BB57-1182 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.252 CC(=O)CCCC1=CC=CC=N1 BB54-3908 [0,1,0,0,0,1|1,0,1]=4 59 B12R1.267 CCCCOC1=C(N)C=CC=C1 BB54-0086 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.7 CC1=CN=C(CNCCCO)S1 BB55-8356 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.7 CCCCCCC1=NN=C(N)S1 BB56-1276 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.35 O=C(CCCCCl)C1=CC=CS1 BB54-1792 [0,2,0,0,0,0|0,0,1]=3 63 B12R1.37 COCCCNCC1=CC=CO1 BB01-5377 [0,2,0,0,0,0|0,1,0]=3 64 B12R1.51 O=C(CCCl)NCC1=CC=CS1 BB55-2901 [0,2,0,0,0,0|1,0,1]=4 65 B12R1.255 CC(C)CCNCC1=CC=CO1 BB01-5392 [0,2,0,0,0,0|0,1,0]=3 66 B12R1.477 O=C(CCl)NCCC1=CC=CS1 BB53-1508 [0,2,0,0,0,0|1,0,1]=4 67 B12R1.15 COC(=O)CC(N)C1=CC=CS1 BB32-1198 [0,2,0,0,0,0|1,0,1]=4 68 B12R1.105 CC1=CN=C(CNCC(C)C)S1 BB55-8352 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.105 CC1=CN=C(CNCC(C)O)S1 BB55-8355 [0,2,0,0,0,0|2,0,0]=4 70 B10R2.7 C1=C2CCCCC2=NN1 BB12-4186 [1,0,0,1,0,0|2,0,0]=4 71 B10R2.7 C1=CC2=C(CCCC2)S1 BB58-0529 [1,0,0,1,0,0|0,0,0]=2 72 B10R2.7 C1=CN2CCNCC2=C1 BB55-4551 [1,0,0,1,0,0|2,0,0]=4 73 B12R2.2 C1=CC(C2CCCN2)=CC=N1 BB56-0307 [0,0,0,1,0,1|2,0,0]=4 74 B12R2.2 C1=CC=C(C2CCCN2)C=C1 BB01-4666 [0,0,0,1,0,1|2,0,0]=4 75 B12R2.2 C1=CC=C(C2CCNC2)C=C1 BB54-4953 [0,0,0,1,0,1|2,0,0]=4 76 B12R2.2 C1=CN=C(C2CCCN2)C=C1 BB56-1572 [0,0,0,1,0,1|2,0,0]=4 77 B12R2.2 C1=CN=C(C2CCCN2)C=N1 BB58-0664 [0,0,0,1,0,1|2,0,0]=4 78 B12R2.2 C1=NC=NC(C2CCCN2)=C1 BB57-3794 [0,0,0,1,0,1|2,0,0]=4 79 B12R2.315 CCC1NCCC2=C1NC=N2 BB58-5306 [0,1,0,1,0,0|2,0,0]=4 80 B12R2.315 CCC1NCCN2C=CC=C12 BB01-4331 [0,1,0,1,0,0|2,0,0]=4 81 B12R2.315 CNC1CCCC2=NNC=C21 BB57-4019 [0,1,0,1,0,0|2,0,0]=4 82 B12R2.6 BrC1=CC=C(C2CCCN2)S1 BB56-2033 [0,1,0,1,0,0|1,0,0]=3 83 B12R2.6 BrC1=CSC(C2CCCN2)=C1 BB56-2091 [0,1,0,1,0,0|1,0,0]=3 84 B12R2.6 CC1=CC=C(C2CCCN2)O1 BB56-1523 [0,1,0,1,0,0|1,1,0]=4 85 B12R2.6 CC1=CC=C(C2CCCN2)S1 BB56-1804 [0,1,0,1,0,0|1,0,0]=3 86 B12R2.6 NC1=CN(C2CCCC2)N=C1 BB05-4545 [0,1,0,1,0,0|2,0,0]=4 87 B12R2.6 NC1=NN(C2CCCC2)C=C1 BB05-2482 [0,1,0,1,0,0|2,0,0]=4 88 B12R2.1041 NC1=NC2=C(CCCCC2)S1 BB56-0398 [0,1,0,1,0,0|1,0,0]=3 89 B12R2.1041 NC1=NC2=C(CCCCC2)S1 BB57-1184 [0,1,0,1,0,0|1,0,0]=3 90 B12R2.2298 CC1=CC=C(CNC2CC2)O1 BB55-8289 [0,1,0,1,0,0|1,1,0]=4 91 B12R2.2298 CC1=CN=C(CNC2CC2)S1 BB55-8353 [0,1,0,1,0,0|2,0,0]=4 92 B12R2.466 CC1=C(CNC2CC2)SC=N1 BB55-8304 [0,1,0,1,0,0|2,0,0]=4 93 B12R2.466 CN1C=CC=C1CNC2CC2 BB05-4171 [0,1,0,1,0,0|2,0,0]=4 94 B12R2.466 CN1C=CC=C1CNC2CC2 BB57-3089 [0,1,0,1,0,0|2,0,0]=4