0 B12R1.4 C=CC1=CC=C(NC(C)=O)C=C1 13490 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 17114 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.4 N(C(C)=O)C1=CC=C(OC)N=C1 20381 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 15704 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.20 CC(C)CC1=CC=C(O)C=C1 17197 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.20 N(C(C)=O)C1=NC=C(Cl)C=C1 20662 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 532 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 102171 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 20773 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.83 O\N=C/C1=CC=C(OC)C=C1 20664 [1,0,0,0,0,0|1,0,2]=4 10 B13R1.5 COC1=CC=C(\N=C(\S)SC)C=C1 21462 [0,1,0,0,0,0|1,1,0]=3 11 B13R1.142 C=CCC1=CC=C(OC(C)=O)C=C1 102308 [0,1,0,0,0,0|2,0,1]=4 12 B13R1.142 CCOC1=CC=C(NC(C)=O)C=C1 17111 [0,1,0,0,0,0|1,0,0]=2 13 B13R1.585 CC(=O)C1=CC=C(CC(C)C)C=C1 102258 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.585 N(C(C)=O)C1=CC=C([N+](=O)[O-])C=C1 20652 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 17245 [0,0,0,0,1,0|2,0,0]=3 16 B11R1.3 O=C(Cl)C1=CC=C(CBr)C=C1 22026 [0,0,0,0,1,0|3,0,0]=4 17 B11R1.3 O=C(O)C1=CC=C([Hg]Cl)C=C1 20772 [0,0,0,0,1,0|3,0,0]=4 18 B13R1.3 COC1=CC=C(C=CC(=O)O)C=C1 13413 [0,0,0,0,0,1|1,0,1]=3 19 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 17095 [0,0,0,0,0,1|1,0,1]=3 20 B10R1.1 NCCC1=CC=C(O)C=C1 15431 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.1 NCCC1=CC=C(O)C=C1 17135 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [2,0,0,0,0,0|0,0,0]=2 23 B10R1.18 CC(=O)NC1=CC=CC=C1 20132 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.18 N=C(N)CC1=CC=CC=C1 745 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.18 O=C(O)CC1=CC=CC=C1 12288 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.18 O=C(O)CC1=CC=CC=C1 15735 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.3 COC1=CC=C(C=O)C=C1 15415 [2,0,0,0,0,0|0,0,0]=2 28 B10R1.3 COC1=CC=C(CN)C=C1 13748 [2,0,0,0,0,0|1,0,0]=3 29 B10R1.3 O=CC1=CC=C(C=O)C=C1 15842 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.3 O=CC1=CC=C(CBr)C=C1 22181 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.19 CC(=O)NC1=CC(Cl)=C(C)C=C1 17118 [1,1,0,0,0,0|1,0,0]=3 32 B12R1.19 CC(=O)NC1=CC(Cl)=C(Cl)C=C1 17125 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 12756 [1,1,0,0,0,0|1,0,0]=3 34 B12R1.49 CSC(S)=NC1=CC=C(C)C=C1 21456 [1,1,0,0,0,0|1,1,0]=4 35 B12R1.233 CC(=O)NC1=CC=C(C)C=C1C 17105 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.233 CC(=O)NC1=CC=C(C)C=C1O 20859 [1,1,0,0,0,0|1,0,0]=3 37 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1C 17120 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1O 20863 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.233 N(C(C)=O)C1=C(Cl)C=C(Br)C=C1 20543 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 15303 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.71 C=C\C=C\C1=CC=C(OC)C=C1 100513 [1,1,0,0,0,0|0,0,2]=4 42 B12R1.71 COC1=CC=C(C[Se]C#N)C=C1 20015 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.288 COC1=C(O)C=C(CCN)C=C1 15339 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.288 COC1=C(O)C=C(CCN)C=C1 15348 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.288 COC1=C(O)C=C(CC[NH3+])C=C1 15347 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.6 COC1=CC=C(S(N)(=O)=O)C=C1 848 [0,1,0,0,1,0|2,0,0]=4 47 B12R1.6 COC1=CC=C([Si](C)(C)C)C=C1 100502 [0,1,0,0,1,0|1,1,0]=4 48 B12R1.452 COC1=CC=C(C(=O)O)C(C)=C1 15233 [0,1,0,0,1,0|1,0,0]=3 49 B12R1.452 COC1=CC=C([N+](=O)[O-])C(C)=C1 22234 [0,1,0,0,1,0|2,0,0]=4 50 B12R1.452 COC1=CC=C([N+](=O)[O-])C(N)=C1 20476 [0,1,0,0,1,0|2,0,0]=4 51 B14R1.2 COC1=CC=C(\C(C)=C\C(C)=O)C=C1 16733 [0,1,0,0,0,1|0,0,1]=3 52 B14R1.3 COC1=CC=C(C=C(S)C(=O)O)C=C1 656 [0,1,0,0,0,1|1,0,1]=4 53 B14R1.3 COC1=CC=C(CC(=O)C(=O)O)C=C1 15423 [0,1,0,0,0,1|1,0,0]=3 54 B14R1.3 COC1=CC=C(NC(=O)C(C)=O)C=C1 546 [0,1,0,0,0,1|0,0,1]=3 55 B14R1.3 COC1=CC=C(NC(=S)C(C)=O)C=C1 1370 [0,1,0,0,0,1|0,0,1]=3 56 B14R1.5 COC1=CC=C(CCC(=O)CF)C=C1 102154 [0,1,0,0,0,1|0,0,0]=2 57 B14R1.3653 COC1=C(O)C=C(CCC(=O)O)C=C1 15268 [0,1,0,0,0,1|1,0,0]=3 58 B14R1.3653 COC1=C(O)C=C(\C=C\C(=O)O)C=C1 15267 [0,1,0,0,0,1|1,0,1]=4 59 B14R1.68 C=CCCC1=CC=C(OC(C)=O)C=C1 102346 [0,2,0,0,0,0|2,0,0]=4 60 B14R1.68 CCCCC1=CC=C(NC(C)=O)C=C1 17224 [0,2,0,0,0,0|2,0,0]=4 61 B14R1.805 C=C(F)CC1=CC=C(OC(C)=O)C=C1 102313 [0,2,0,0,0,0|1,0,1]=4 62 B14R1.805 CC(=O)NC1=CC=C(OC(C)=O)C=C1 11653 [0,2,0,0,0,0|1,0,0]=3 63 B12R2.326 COC1=CC=C2CC(=O)C2=C1 16234 [1,0,0,1,0,0|0,0,0]=2 64 B12R2.2107 COC1=CC=C2C(=C1)CC2O 16156 [0,0,0,1,1,0|0,0,2]=4 65 B12R2.2107 COC1=CC=C2C(=O)CC2=C1 16231 [0,0,0,1,1,0|0,0,0]=2 66 B14R2.134 COC1=CC=C2C=NC(C)=CC2=C1 16474 [0,0,0,1,0,1|1,0,1]=4 67 B14R2.1295 COC1=CC=C2CC(C(=O)O)C2=C1 16602 [0,0,0,1,0,1|1,0,0]=3 68 B14R2.155 COC1=CC=C2C(=C1)CC2C(=O)O 16584 [0,1,0,1,0,0|1,0,0]=3 69 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15778 [1,0,0,0,1,0|1,0,0]=3 70 B10R1.13 O=C(O)C1=CC=C(F)C=C1 101191 [1,0,0,0,1,0|2,0,0]=4 71 B10R1.13 O=C(O)C1=CC=C(O)C=C1 15302 [1,0,0,0,1,0|1,0,0]=3 72 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 20068 [1,0,0,0,1,0|2,0,0]=4 73 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 15265 [1,0,0,0,0,1|1,0,0]=3 74 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 15283 [1,0,0,0,0,1|1,0,1]=4 75 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 18171 [0,0,0,0,0,2|1,0,0]=3