0 B14R1.623 CCOC(=O)C1=C(B(O)O)C=CC=C1 19853 [0,0,0,0,0,0|1,0,1]=2 1 B14R1.623 CCOC(=O)C1=C(N(C)C)C=CC=C1 13414 [0,0,0,0,0,0|3,0,0]=3 2 B14R1.623 NC(=O)C1=CC=CC=C1C(=O)NCO 35036 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.464 CCOC(=O)C1=C(CBr)C=CC=C1 19620 [1,0,0,0,0,0|1,0,1]=3 4 B13R1.464 CCOC(=O)C1=C(CCl)C=CC=C1 17596 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.547 CCS(=O)C1=C(B(O)O)C=CC=C1 1837 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.547 COC(=O)C1=C(B(O)O)C=CC=C1 25147 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.547 O=C(CBr)C1=C([N+](=O)[O-])C=CC=C1 11073 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.547 O=C(CBr)C1=C([N+](=O)[O-])C=CC=C1 23427 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.572 NCCSC1=C(C(=O)O)C=CC=C1 16186 [1,0,0,0,0,0|3,0,0]=4 10 B15R1.765 CCOC(=O)C1=C([N+](=O)[O-])C=CC(F)=C1 29178 [0,1,0,0,0,0|1,0,1]=3 11 B15R1.811 CCOC(=O)C1=C(S(N)(=O)=O)C=CC=C1 21428 [0,1,0,0,0,0|1,0,1]=3 12 B15R1.10569 CCOC(=O)C1=C(B(O)O)C=C(F)C=C1 18519 [0,1,0,0,0,0|1,0,1]=3 13 B15R1.10569 CCOC(=O)C1=C([N+](=O)[O-])C=C(N)C=C1 30489 [0,1,0,0,0,0|1,0,1]=3 14 B15R1.10569 CCOC(=O)C1=C([N+](=O)[O-])C=C(O)C=C1 16899 [0,1,0,0,0,0|1,0,1]=3 15 B15R1.10602 CCOC(=O)C1=C([N+](=O)[O-])C(N)=CC=C1 28534 [0,1,0,0,0,0|1,0,1]=3 16 B15R2.1221 O=C(O)C1=C(N2CCCC2)C=CC=C1 19572 [0,0,0,1,0,0|3,0,0]=4 17 B15R2.61345 O=C1CCCC2=CC=CC([N+](=O)[O-])=C12 17904 [0,0,0,1,0,0|2,0,1]=4 18 B12R1.77 C#CC1=C(C(=O)OC)C=CC=C1 35564 [2,0,0,0,0,0|1,0,1]=4 19 B12R1.77 CNC1=C(C(=O)OC)C=CC=C1 13627 [2,0,0,0,0,0|2,0,0]=4 20 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 30507 [2,0,0,0,0,0|0,0,0]=2 21 B12R1.77 COC(=O)C1=C(CBr)C=CC=C1 12369 [2,0,0,0,0,0|1,0,1]=4 22 B12R1.77 COC(=O)C1=C(OC)C=CC=C1 20353 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.77 COC(=O)c1ccccc1C#N 24574 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.121 CCCOC1=C(C=O)C=CC=C1 3160 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.308 CCCC(=O)C1=C(O)C=CC=C1 21426 [2,0,0,0,0,0|1,0,0]=3 26 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 3937 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.308 CCOC(=O)C1=C(Br)C=NC=C1 17515 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.308 CCOC(=O)C1=C(Br)N=CC=C1 12886 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 15493 [2,0,0,0,0,0|0,0,1]=3 30 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 12727 [2,0,0,0,0,0|1,0,1]=4 31 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 3703 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 3469 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 3881 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 16750 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 12921 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 24103 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.308 CCOC(=O)C1=CC=CC=C1N 13628 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.308 CCOC(=O)C1=CC=CC=C1S 6857 [2,0,0,0,0,0|0,1,0]=3 39 B12R1.308 CCOC(=O)C1=CN=CN=C1O 21506 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.261 CC(=O)C1=C(B(O)O)C=CC=C1 5373 [2,0,0,0,0,0|1,0,1]=4 41 B12R1.261 CC(=O)C1=C(C(C)=O)C=CC=C1 24179 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.261 CC(C)C1=C(C(=O)O)C=CC=C1 19980 [2,0,0,0,0,0|1,0,1]=4 43 B12R1.261 O=C(O)C1=C(B(O)O)C=CC=C1 5201 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.261 O=C(O)C1=C(C(=O)O)C=NC=C1 2419 [2,0,0,0,0,0|1,0,0]=3 45 B12R1.261 O=C(O)C1=C(I(=O)=O)C=CC=C1 13864 [2,0,0,0,0,0|1,0,1]=4 46 B12R1.261 O=C(O)C1=C([N+](=O)[O-])C=CC=C1 22385 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O 8035 [2,0,0,0,0,0|1,0,0]=3 48 B12R1.261 O=C(O)C1=NC=CN=C1C(=O)O 8610 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)O 35845 [2,0,0,0,0,0|0,0,1]=3 50 B12R1.283 CCOC1=C(B(O)O)C=CC=C1 1834 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.283 CCOC1=C(C(=N)N)C=CC=C1 11862 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.283 CCOC1=C(C(=O)O)C=CC=C1 20122 [2,0,0,0,0,0|0,0,0]=2 53 B12R1.283 CCOC1=C(C(=O)O)C=CC=N1 16563 [2,0,0,0,0,0|1,0,0]=3 54 B12R1.283 CCOC1=C(C(C)=O)C=CC=C1 13191 [2,0,0,0,0,0|1,0,0]=3 55 B12R1.283 CCOC1=C([N+](=O)[O-])C=CC=C1 3186 [2,0,0,0,0,0|1,0,1]=4 56 B14R1.263 CCOC(=O)C1=C(CC#N)C=CC=C1 28606 [1,1,0,0,0,0|1,0,1]=4 57 B14R1.599 CCOC(=O)C1=C(C#N)C=CC(F)=C1 28602 [1,1,0,0,0,0|1,0,1]=4 58 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(Br)=C1 28575 [1,1,0,0,0,0|1,0,1]=4 59 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(Cl)=C1 3712 [1,1,0,0,0,0|1,0,1]=4 60 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(F)=C1 28663 [1,1,0,0,0,0|1,0,1]=4 61 B14R1.745 COC(=O)C1=C(S(=O)(=O)Cl)C=CC=C1 14808 [1,1,0,0,0,0|1,0,1]=4 62 B14R1.745 COC(=O)C1=C(S(N)(=O)=O)C=CC=C1 21413 [1,1,0,0,0,0|1,0,1]=4 63 B14R1.1126 COC(=O)C1=C(B(O)O)C=C(F)C=C1 29628 [1,1,0,0,0,0|1,0,1]=4 64 B14R1.1126 COC(=O)C1=C([N+](=O)[O-])C=C(Br)C=C1 44705 [1,1,0,0,0,0|1,0,1]=4 65 B14R1.1126 COC(=O)C1=C([N+](=O)[O-])C=C(Cl)C=C1 4583 [1,1,0,0,0,0|1,0,1]=4 66 B14R1.1126 COC(=O)C1=C([N+](=O)[O-])C=C(N)C=C1 30556 [1,1,0,0,0,0|1,0,1]=4 67 B14R1.1153 COC(=O)C1=C([N+](=O)[O-])C(C)=CC=C1 10932 [1,1,0,0,0,0|1,0,1]=4 68 B14R1.1164 COC(=O)C1=C(Br)C=CC=C1[N+](=O)[O-] 30737 [1,1,0,0,0,0|1,0,1]=4 69 B14R1.1164 COC(=O)C1=C(N)C=CC=C1[N+](=O)[O-] 22890 [1,1,0,0,0,0|1,0,1]=4 70 B14R1.7224 CCOC(=O)C1=C(C(=O)O)N(C)N=C1 32047 [0,1,0,0,1,0|2,0,0]=4 71 B16R1.13671 CCOC(=O)CC1=C([N+](=O)[O-])C=C(F)C=C1 31510 [0,1,0,0,0,1|1,0,1]=4 72 B16R1.12475 CC(C)(C)OC(=O)C1=C(B(O)O)C=CC=C1 24653 [0,2,0,0,0,0|1,0,1]=4 73 B16R1.70365 CCOC(=O)C1=C([N+](=O)[O-])C(O)=C(Br)C=C1 33937 [0,2,0,0,0,0|1,0,1]=4 74 B14R1.32 CCOC(=O)\C=C\C1=CC(N)=CC=C1 13751 [0,0,1,1,0,0|2,0,0]=4 75 B14R2.215 O=C1C2=CC=CC=C2C(=O)N1CO 15718 [1,0,0,1,0,0|2,0,0]=4 76 B14R2.4510 O=C1CCNC(=O)C2=C1C=CC=C2 16221 [1,0,0,1,0,0|1,0,0]=3 77 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O 14596 [1,0,0,1,0,0|1,0,1]=4 78 B14R2.4 CN1N=CC2=C1C=CC=C2C(=O)O 27606 [1,0,0,1,0,0|2,0,0]=4 79 B16R2.126882 CC(=O)NC1=CC=CC2=C1C(=O)CCC2 16195 [0,0,0,1,0,1|2,0,0]=4 80 B16R2.172716 COC(=O)C1=CC=CC2=C1C(=O)CCN2 45213 [0,1,0,1,0,0|2,0,0]=4 81 B16R3.153 O=C1OC=C2CCCC3=CC=CC1=C32 11618 [0,0,0,2,0,0|2,0,0]=4 82 B12R1.368 COC(=O)C1=C(C(=O)O)C=CS1 33519 [1,0,0,0,1,0|1,0,0]=3 83 B14R1.617 CCOC(=O)C1=CC=CC(B(O)O)=C1 29523 [0,0,0,0,1,1|1,0,1]=4 84 B14R1.617 CCOC(=O)C1=CC=CC(B(O)O)=C1 6092 [0,0,0,0,1,1|1,0,1]=4 85 B14R1.617 CCOC(=O)C1=NC(C(C)=O)=CC=C1 14211 [0,0,0,0,1,1|1,0,0]=3