0 B14R2.5637 C1CC(=O)C2=C(C=CC(=C2)Cl)NC1 C153249 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.3729 C1CNC2=C(CN1)C=C(C=C2)Cl C337582 [1,0,0,0,0,0|3,0,0]=4 2 B13R2.5252 C1CCC(=O)C2=CC=CC=C2C1 T162135 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.9 CCCCCCC1=CC=C(C=C1)Br B115518 [0,0,1,0,0,0|1,1,0]=3 4 B13R1.9 CCCCCCC1=CC=C(C=C1)N H157102 [0,0,1,0,0,0|2,0,0]=3 5 B13R1.9 CCCCCCC1=CC=C(C=C1)O H133197 [0,0,1,0,0,0|2,0,0]=3 6 B13R1.9 CCCCCOC1=CC=C(C=C1)O A135781 [0,0,1,0,0,0|3,0,0]=4 7 B13R2.162 C1CC2=C(C=C(C=C2)Br)C(=O)C1 B123924 [0,0,0,0,1,0|1,1,1]=4 8 B13R2.162 C1CC2=C(C=C(C=C2)Cl)C(=O)C1 C154071 [0,0,0,0,1,0|1,0,1]=3 9 B13R2.162 C1CC2=C(C=C(C=C2)F)C(=O)C1 F169260 [0,0,0,0,1,0|1,1,1]=4 10 B13R2.162 C1CC2=C(C=C(C=C2)N)C(=O)C1 A182867 [0,0,0,0,1,0|2,0,1]=4 11 B13R2.162 C1CC2=C(C=C(C=C2)O)C(=O)C1 H192101 [0,0,0,0,1,0|2,0,1]=4 12 B13R2.162 C1CNC(=O)C2=C1C=CC(=C2)Br B187832 [0,0,0,0,1,0|1,1,1]=4 13 B13R2.162 C1CNC(=O)C2=C1C=CC(=C2)O H334772 [0,0,0,0,1,0|2,0,1]=4 14 B13R2.162 C1CNC2=C(C1=O)C=C(C=C2)Cl C345305 [0,0,0,0,1,0|2,0,1]=4 15 B13R2.162 C1COC2=C(C1=O)C=C(C=C2)Cl C119127 [0,0,0,0,1,0|2,0,1]=4 16 B13R2.162 C1CSC2=C(C1=O)C=C(C=C2)Cl C167124 [0,0,0,0,1,0|2,0,1]=4 17 B13R2.162 CC1=CC2=C(CCCC2=O)C=C1 M192100 [0,0,0,0,1,0|2,0,1]=4 18 B12R1.1 CCCCCC1=CC=C(C=C1)Br P115517 [1,0,1,0,0,0|0,1,0]=3 19 B12R1.1 CCCCCC1=CC=C(C=C1)N A151044 [1,0,1,0,0,0|1,0,0]=3 20 B12R1.1 CCCCCC1=CC=C(C=C1)O A131897 [1,0,1,0,0,0|1,0,0]=3 21 B12R1.1 CCCCOC1=CC=C(C=C1)N B151816 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.1 CCCCOC1=CC=C(C=C1)O B152847 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.8 C1=CC=C(C=C1)CCCCCBr B404856 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.8 C1=CC=C(C=C1)CCCCCO P160162 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.8 CCCCCCC1=CC=CC=C1 H107002 [1,0,1,0,0,0|1,0,0]=3 26 B12R1.8 CCCCCCC1=CC=CC=C1 H107003 [1,0,1,0,0,0|1,0,0]=3 27 B12R1.8 CCCCCC[N+]1=CC=CC=C1 H157301 [1,0,1,0,0,0|2,0,0]=4 28 B12R1.8 CCCCCC[N+]1=CC=CC=C1 N304538 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.8 CCCCNCC1=CC=CC=C1 N159171 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.17 C1=CC(=CC(=C1)Cl)C(CCO)N A194578 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.17 CNCC(C1=CC(=CC=C1)O)O P106007 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.17 CNCC(C1=CC(=CC=C1)O)O S161304 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.17 CNCC(O)C1=CC(=CC=C1)O P408457 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.30 CCCCC(C1=CC=CC=C1)O P160160 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.30 CCCCC(C1=CC=CC=C1)O P424881 [1,0,1,0,0,0|2,0,0]=4 36 B14R1.14 CCCCCCCC1=CC=C(C=C1)N H157048 [0,1,1,0,0,0|2,0,0]=4 37 B14R1.14 CCCCCCCC1=CC=C(C=C1)O H132819 [0,1,1,0,0,0|2,0,0]=4 38 B14R1.14 CCCCCCOC1=CC=C(C=C1)Br B152950 [0,1,1,0,0,0|1,1,0]=4 39 B14R1.14 CCCCCCOC1=CC=C(C=C1)O H132048 [0,1,1,0,0,0|2,0,0]=4 40 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)Cl E589967 [0,1,1,0,0,0|2,0,0]=4 41 B14R1.774 CCCCCCC1=C(C=C(C=C1)O)O H157402 [0,1,1,0,0,0|2,0,0]=4 42 B14R1.774 CCCCCCC1=C(C=C(C=C1)O)O H421395 [0,1,1,0,0,0|2,0,0]=4 43 B14R1.776 CCCCCCC1=CC=C(C=C1)C#C E156337 [0,1,1,0,0,0|2,0,0]=4 44 B14R2.142 COC1=CC2=C(CCCC2N)C=C1 S489461 [0,1,0,0,1,0|2,0,0]=4 45 B14R2.4536 CC1(CCSC2=C1C=C(C=C2)Br)C B586395 [0,1,0,0,1,0|1,1,0]=4 46 B14R2.68 C1CCC(CC1)C2=CC=C(C=C2)Br B122367 [0,0,1,1,0,0|1,1,0]=4 47 B14R2.68 C1CCC(CC1)C2=CC=C(C=C2)N C113781 [0,0,1,1,0,0|2,0,0]=4 48 B14R2.68 C1CCC(CC1)C2=CC=C(C=C2)O C153437 [0,0,1,1,0,0|2,0,0]=4 49 B14R2.68 C1CNCCC1C2=CC=C(C=C2)Cl C192443 [0,0,1,1,0,0|2,0,0]=4 50 B14R2.21 C1CNCCC1C2=CC(=CC=C2)Cl C196157 [0,0,1,1,0,0|2,0,0]=4 51 B14R3.2531 C1C2CNCC1C3=CC=CC=C23 T192191 [1,0,0,1,0,0|0,0,0]=2 52 B12R2.24 C1CC2=C(C=C(C=C2)Br)NC1 B172150 [1,0,0,0,1,0|1,1,0]=4 53 B12R2.24 C1CC2=C(C=C(C=C2)Br)NC1 B180020 [1,0,0,0,1,0|1,1,0]=4 54 B12R2.24 C1CC2=C(C=C(C=C2)O)NC1 H185355 [1,0,0,0,1,0|2,0,0]=4 55 B12R2.24 C1CC2=C(C=CC(=C2)Br)NC1 B192132 [1,0,0,0,1,0|1,1,0]=4 56 B12R2.24 C1CC2=C(C=CC(=C2)Br)NC1 B586250 [1,0,0,0,1,0|1,1,0]=4 57 B12R2.24 C1CC2=C(C=CC(=C2)Br)OC1 B184223 [1,0,0,0,1,0|1,1,0]=4 58 B12R2.24 C1CC2=C(C=CC(=C2)F)NC1 F194112 [1,0,0,0,1,0|1,1,0]=4 59 B12R2.24 C1CC2=C(C=CC(=C2)O)NC1 H192815 [1,0,0,0,1,0|2,0,0]=4 60 B12R2.24 C1CCC2=C(C1)C=CC(=C2)N W133739 [1,0,0,0,1,0|1,0,0]=3 61 B12R2.24 C1CCC2=C(C1)C=CC(=C2)O T162495 [1,0,0,0,1,0|1,0,0]=3 62 B12R2.24 C1CNCC2=C1C=C(C=C2)Br B175814 [1,0,0,0,1,0|0,1,0]=3 63 B12R2.24 C1CNCC2=C1C=C(C=C2)Cl C345518 [1,0,0,0,1,0|0,0,0]=2 64 B12R2.24 C1CNCC2=C1C=C(C=C2)Cl C588766 [1,0,0,0,1,0|0,0,0]=2 65 B12R2.24 C1CNCC2=C1C=C(C=C2)F F345517 [1,0,0,0,1,0|0,1,0]=3 66 B12R2.24 C1CNCC2=C1C=C(C=C2)O H157390 [1,0,0,0,1,0|1,0,0]=3 67 B12R2.24 C1CNCC2=C1C=CC(=C2)Br B175763 [1,0,0,0,1,0|0,1,0]=3 68 B12R2.24 C1CNCC2=C1C=CC(=C2)Cl C186797 [1,0,0,0,1,0|0,0,0]=2 69 B12R2.24 C1CNCC2=C1N=C(C=C2)Cl C186502 [1,0,0,0,1,0|1,0,0]=3 70 B12R2.24 C1COC2=C(N1)C=CC(=C2)Cl C179547 [1,0,0,0,1,0|2,0,0]=4 71 B12R2.24 CC1=CC2=C(C=C1)NCCC2 M158123 [1,0,0,0,1,0|2,0,0]=4 72 B12R2.24 CC1=CC2=C(CCNC2)C=C1 M168479 [1,0,0,0,1,0|1,0,0]=3 73 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T102999 [1,0,0,0,1,0|1,0,0]=3 74 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T113718 [1,0,0,0,1,0|1,0,0]=3 75 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T113722 [1,0,0,0,1,0|1,0,0]=3 76 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T401554 [1,0,0,0,1,0|1,0,0]=3 77 B12R2.1081 C1CC(C2=CC=CC=C2C1)O R160835 [1,0,0,0,1,0|1,0,0]=3 78 B12R2.1081 C1CC(C2=CC=CC=C2C1)O S161373 [1,0,0,0,1,0|1,0,0]=3 79 B12R2.1081 C1CC(C2=CC=CC=C2C1)O T161537 [1,0,0,0,1,0|1,0,0]=3 80 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 T106838 [1,0,0,0,1,0|1,0,1]=4 81 B12R2.1081 C1CNC(=O)C2=CC=CC=C21 T172481 [1,0,0,0,1,0|1,0,1]=4 82 B12R2.1081 CC1C2=CC=CC=C2CCN1 M193575 [1,0,0,0,1,0|0,0,0]=2 83 B12R2.1081 CC1CNCC2=CC=CC=C12 P165923 [1,0,0,0,1,0|0,0,0]=2 84 B12R2.132 C1C2=C(C=C(C=C2)Cl)C(=O)N1 C589550 [0,0,0,0,2,0|1,0,1]=4 85 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)Cl C119759 [0,0,0,0,2,0|1,0,1]=4