0 B14R1.623 CCOC(=O)C1=C(C(=O)O)N=CC=C1 3343AL [0,0,0,0,0,0|1,0,0]=1 1 B14R1.623 CCOC(=O)C1=CC=CC=C1N(C)C W6945 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.464 CCOC(=O)C1=C(C#N)C=CC=N1 4554AF [1,0,0,0,0,0|2,0,1]=4 3 B13R1.464 CCOC(=O)C1=C(C=O)C=CC=N1 5075AD [1,0,0,0,0,0|1,0,0]=2 4 B13R1.464 CCOC(=O)C1=C(CBr)N=CC=C1 9572AB [1,0,0,0,0,0|2,0,1]=4 5 B13R1.547 COC(=O)C1=C(B(O)O)N=CC=C1 5754AA [1,0,0,0,0,0|2,0,1]=4 6 B13R1.547 COC(=O)C1=C(C(C)C)C=CC=C1 6961AJ [1,0,0,0,0,0|2,0,1]=4 7 B15R1.811 CCOC(=O)C1=C(S(C)(=O)=O)N=CC=C1 6672AJ [0,1,0,0,0,0|2,0,1]=4 8 B15R1.1239 O=C(O)C1=C(C(=O)OCCO)C=CC=C1 9276AA [0,1,0,0,0,0|0,0,0]=1 9 B15R2.56234 CCOC1=NS(=O)(=O)C2=CC=CC=C21 9765AA [0,0,0,1,0,0|2,0,1]=4 10 B15R2.61345 O=C(O)C1=CC=CC2=C1C(=O)NC=C2 2688AA [0,0,0,1,0,0|1,0,2]=4 11 B15R2.61345 O=C1CCCC2=C1C([N+](=O)[O-])=CC=C2 8607AB [0,0,0,1,0,0|2,0,1]=4 12 B15R1.1274 CC(=O)C1=CC=CC=C1NC(=O)CCCl 6038AD [0,0,0,0,0,1|3,0,0]=4 13 B12R1.77 COC(=O)C1=CC=CN=C1C=O 8421AD [2,0,0,0,0,0|1,0,0]=3 14 B12R1.308 CCOC(=O)C1=CC=CC=[N+]1[O-] 9464AD [2,0,0,0,0,0|1,0,1]=4 15 B12R1.308 CCOC(=O)C1=NC=CC=C1Cl 3470AD [2,0,0,0,0,0|2,0,0]=4 16 B12R1.261 CC(N)C1=C(C(=O)O)C=CC=C1 9995AH [2,0,0,0,0,0|1,0,1]=4 17 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)[O-] 8033AF [2,0,0,0,0,0|0,0,2]=4 18 B14R1.7233 CCOC(=O)C1=C(CBr)C=C(Cl)C=C1 7708AA [1,1,0,0,0,0|1,0,1]=4 19 B14R1.7255 CCOC(=O)C1=CC=CC(Br)=C1OC 1971AA [1,1,0,0,0,0|2,0,0]=4 20 B14R1.429 O=C(O)C(=O)C1=CC=CC=C1C(=O)O 4998AE [1,1,0,0,0,0|1,0,1]=4 21 B14R1.1164 COC(=O)C1=C(C(=O)O)C=NC=C1O A895 [1,1,0,0,0,0|1,0,0]=3 22 B14R1.1164 COC(=O)C1=C(F)C=CC=C1[N+](=O)[O-] 7197AD [1,1,0,0,0,0|1,0,1]=4 23 B16R1.1556 CCCC(=O)NC1=CC=CC=C1C(=O)OC 3095AB [0,1,0,0,0,1|1,0,0]=3 24 B16R1.1556 COCC(=O)NC1=CC=CC=C1C(=O)OC 3506AL [0,1,0,0,0,1|2,0,0]=4 25 B16R1.2220 CCOC(=O)CC1=C([N+](=O)[O-])C(F)=CC=C1 6160AC [0,1,0,0,0,1|1,0,1]=4 26 B16R1.4578 CCOC(=O)C(N)C1=CC=CC=C1[N+](=O)[O-] 3817AJ [0,1,0,0,0,1|1,0,1]=4 27 B16R1.4578 CCOC(=O)C(N)C1=CC=CC=C1[N+](=O)[O-] 3818AJ [0,1,0,0,0,1|1,0,1]=4 28 B16R1.13671 CCOC(=O)CC1=C([N+](=O)[O-])C=C(Cl)C=C1 6663AJ [0,1,0,0,0,1|1,0,1]=4 29 B16R1.13671 CCOC(=O)NC1=CC=C(N)C=C1[N+](=O)[O-] Y6623 [0,1,0,0,0,1|1,0,1]=4 30 B14R1.468 CCOC1=CC=CC(\C=C\C(=O)O)=C1 7854AC [0,0,1,1,0,0|1,0,0]=3 31 B14R2.24350 CC(=O)C1=C2C(=O)NCC2=CC=C1 3641AJ [1,0,0,1,0,0|2,0,0]=4 32 B14R2.24350 NC(=O)C1=C2C(=O)CCC2=CC=C1 0946AB [1,0,0,1,0,0|1,0,0]=3 33 B14R2.24350 NC(=O)C1=CC=CC2=C1C(=O)NC2 5876AC [1,0,0,1,0,0|2,0,0]=4 34 B14R2.24350 O=C(O)C1=CC=CC2=C1C(=O)N=N2 W8181 [1,0,0,1,0,0|2,0,0]=4 35 B14R2.24350 O=C(O)C1=CC=CC2=C1C(O)CC2 2174AC [1,0,0,1,0,0|0,0,2]=4 36 B16R2.498 O=C(O)C1=CC=CC=C1CC2OCCO2 2482AF [0,0,0,1,0,1|0,0,2]=4 37 B16R2.29744 CCOC(=O)C1=CC=CC2=C1C(=O)CC2 5337AA [0,1,0,1,0,0|1,0,0]=3 38 B12R1.316 CCOC(=O)C1=C(C=O)OC=C1 3348AL [1,0,0,0,1,0|1,0,0]=3 39 B14R1.617 CCOC(=O)C1=CC(C(N)=O)=NC=C1 B155 [0,0,0,0,1,1|2,0,0]=4 40 B14R1.617 CCOC(=O)C1=NC=CC(C(=O)O)=C1 6926AA [0,0,0,0,1,1|1,0,0]=3 41 B14R1.617 CCOC(=O)C1=NC=CC(C(C)=O)=C1 4080AJ [0,0,0,0,1,1|2,0,0]=4 42 B16R1.4440 CCOC(=O)CCC1=CC=CC=C1[N+](=O)[O-] 6706AJ [0,0,0,0,0,2|1,0,1]=4