0 B10R1.21 CCCCCC1=CC=CO1 7059 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.21 CCCCCC1=CNN=C1 21802 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.21 CCCCCN1C=CN=C1 34819 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.12 CCCCC1=CNN=C1 21800 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.12 CCCCN1C=CN=C1 18588 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.12 OCCCC1=CN=CN1 34910 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.4 CCCCCCC1=CNN=C1 21803 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.4 CCCCCCC1=CSC=C1 8861 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.25 COC(=O)CCC1=CC=CS1 16785 [0,1,0,0,0,0|1,1,1]=4 9 B11R1.29 CNCC[C@@H](O)C1=CC=CS1 23244 [0,1,0,0,0,0|1,1,0]=3 10 B11R1.29 CNCC[C@H](O)C1=CC=CS1 23273 [0,1,0,0,0,0|1,1,0]=3 11 B11R1.30 CCOC(=O)CC1=CC=CO1 17309 [0,1,0,0,0,0|1,0,1]=3 12 B11R1.30 CCOC(=O)CC1=CC=CS1 7414 [0,1,0,0,0,0|1,1,1]=4 13 B11R1.172 O=C(O)CCCC1=CC=CS1 34947 [0,1,0,0,0,0|1,1,1]=4 14 B9R0.5 CCCCCC(=O)OCC 15737 [0,0,1,0,0,0|1,0,2]=4 15 B11R2.2 C1=NNC=C1C2CCCC2 21804 [0,0,0,1,0,0|3,0,0]=4 16 B11R2.106 O=C1CCCC2=C1C=CN2 24124 [0,0,0,1,0,0|2,0,1]=4 17 B11R2.106 O=C1CCCC2=C1C=CO2 14044 [0,0,0,1,0,0|1,0,1]=3 18 B11R2.106 O=C1CCCC2=C1C=CS2 13925 [0,0,0,1,0,0|1,1,1]=4 19 B11R1.28 BrCCCOC1=CC=CC=C1 3826 [0,0,0,0,0,1|3,0,0]=4 20 B11R1.28 CCCCCC1=CC=CC=C1 16788 [0,0,0,0,0,1|1,0,0]=2 21 B11R1.28 CCCCOC1=CC=CC=C1 12529 [0,0,0,0,0,1|2,0,0]=3 22 B11R1.28 OCCCCC1=CC=CC=C1 3100 [0,0,0,0,0,1|2,0,0]=3 23 B11R1.28 OCCCCC1=CC=NC=C1 19155 [0,0,0,0,0,1|2,0,0]=3 24 B11R1.28 OCCNCC1=CC=CC=C1 12960 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.28 OCCOCC1=CC=CC=C1 1939 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.28 OCCSCC1=CC=CC=C1 10801 [0,0,0,0,0,1|3,0,0]=4 27 B8R0.1 C=COC(=O)CCCC 13121 [1,0,1,0,0,0|1,0,0]=3 28 B8R0.4 CCCCC\C=C\CO 18916 [1,0,1,0,0,0|0,0,1]=3 29 B8R0.6 C=CC(=O)OCCCC 21089 [1,0,1,0,0,0|1,0,1]=4 30 B8R1.8 CCCC1=NC=CN1 15976 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.8 CNCC1=CC=CS1 22897 [2,0,0,0,0,0|1,1,0]=4 32 B8R1.8 Cl[Mg]CC1=CC=CO1 2072 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.8 NCCC1=CC=CS1 5579 [2,0,0,0,0,0|1,1,0]=4 34 B8R1.8 NCCC1=CC=CS1 8859 [2,0,0,0,0,0|1,1,0]=4 35 B8R1.8 OCCC1=CC=CS1 5581 [2,0,0,0,0,0|1,1,0]=4 36 B10R1.11 CCOC(=O)C1=CC=CO1 7087 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.27 CNC(C)CC1=CC=CS1 24793 [1,1,0,0,0,0|1,1,0]=4 38 B10R1.66 CC(=O)OCC1=CC=CO1 9970 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.1 CCCCCC1=CC=C(N)C=C1 20586 [0,1,0,0,0,1|1,0,0]=3 40 B12R1.1 CCCCCC1=CN=C(Cl)N=C1 9038 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.1 CCCCCc1ccc(Br)cc1 10634 [0,1,0,0,0,1|1,0,0]=3 42 B12R1.1 CCCCOC1=CC=C(O)C=C1 13206 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.1 CCCCOC1=NC=C(Br)C=C1 22137 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.8 ClCCCCOC1=CC=CC=C1 13164 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.8 NCCCCCC1=CC=CC=C1 12508 [0,1,0,0,0,1|1,0,0]=3 46 B12R1.8 OCCCCCC1=CC=CC=C1 34219 [0,1,0,0,0,1|1,0,0]=3 47 B12R1.8 OCCCOCC1=CC=CC=C1 20097 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.30 CCCCC(=O)C1=CC=CC=C1 25461 [0,1,0,0,0,1|1,0,1]=4 49 B12R1.30 CNCCC(Cl)C1=CC=CC=C1 24609 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.30 CNCCC(O)C1=CC=CC=C1 27334 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 23266 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.30 CNCC[C@H](O)C1=CC=CC=C1 23246 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.252 CC(=O)CCCC1=CC=CC=C1 23541 [0,1,0,0,0,1|1,0,1]=4 54 B12R1.267 CCCCOC1=CC=CN=C1Br 5768 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.267 CCCCOC1=CC=CN=C1Cl 6126 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.54 CN(C)CCC(O)C1=CC=CS1 11280 [0,2,0,0,0,0|1,1,0]=4 57 B12R1.54 CN(C)CC[C@H](O)C1=CC=CS1 11279 [0,2,0,0,0,0|1,1,0]=4 58 B10R1.17 CCCCC1=CC=CC=C1 13571 [0,0,1,1,0,0|1,0,1]=4 59 B10R2.7 C1=CC2=C(CCNC2)O1 33741 [1,0,0,1,0,0|1,0,0]=3 60 B10R2.7 C1=CC2=C(CCNC2)S1 14150 [1,0,0,1,0,0|1,1,0]=4 61 B10R2.7 C1=CC2=C(CNCC2)O1 33740 [1,0,0,1,0,0|1,0,0]=3 62 B10R2.7 C1=CC2=C(CNCC2)S1 17778 [1,0,0,1,0,0|1,1,0]=4 63 B10R2.7 C1=NC2=C(CCCC2)N1 8043 [1,0,0,1,0,0|2,0,0]=4 64 B10R2.7 C1=NC2=C(CCCC2)N1 8058 [1,0,0,1,0,0|2,0,0]=4 65 B12R2.2 C1=CC(N2CCCC2)=CC=N1 18533 [0,0,0,1,0,1|2,0,0]=4 66 B12R2.2 C1=CC=C(C2CCNC2)C=C1 22374 [0,0,0,1,0,1|2,0,0]=4 67 B12R2.2 C1=CC=C(C2CCNC2)C=C1 30375 [0,0,0,1,0,1|2,0,0]=4 68 B12R2.2 C1=CC=C(N2CCCC2)C=C1 9192 [0,0,0,1,0,1|2,0,0]=4 69 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 15596 [0,0,0,1,0,1|2,0,0]=4 70 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 23243 [0,0,0,1,0,1|2,0,0]=4 71 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 15595 [0,0,0,1,0,1|2,0,0]=4 72 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 23242 [0,0,0,1,0,1|2,0,0]=4 73 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 18577 [0,0,0,1,0,1|2,0,0]=4 74 B12R2.2 C1=CN=CC(C2CCCN2)=C1 16040 [0,0,0,1,0,1|2,0,0]=4 75 B12R2.2 C1=CN=CC(C2CCNC2)=C1 16492 [0,0,0,1,0,1|2,0,0]=4 76 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 15004 [0,0,0,1,0,1|2,0,0]=4 77 B12R2.41 C1=CC2=C(C=C1)CCNCC2 17660 [0,0,0,1,0,1|2,0,0]=4 78 B12R2.41 C1=CC2=C(C=C1)CCNCC2 27339 [0,0,0,1,0,1|2,0,0]=4 79 B12R2.1081 CC1NCCC2=CC=CC=C21 13018 [0,0,0,1,0,1|2,0,0]=4 80 B12R2.1081 NC1CCCC2=C1N=CC=C2 27889 [0,0,0,1,0,1|2,0,0]=4 81 B12R2.1081 NC1CCCC2=CC=CC=C21 14041 [0,0,0,1,0,1|2,0,0]=4 82 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 13011 [0,0,0,1,0,1|2,0,0]=4 83 B12R2.1081 N[C@H]1CCCc2ccccc21 11534 [0,0,0,1,0,1|2,0,0]=4 84 B12R2.1081 OC1CCCC2=C1N=CC=C2 17102 [0,0,0,1,0,1|2,0,0]=4