0 B14R2.781 B(C1=CC2=CC=CC=C2C=C1)(O)O 5644 [0,0,0,0,0,0|2,0,1]=3 1 B14R2.781 B(C1=CC2=CC=CC=C2N=C1)(O)O 5186 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.781 C1=CC=C2C(=C1)N=CC(=N2)C(=O)O 8667 [0,0,0,0,0,0|3,0,0]=3 3 B14R2.781 C1=CC=C2C=C(C=CC2=C1)C(=O)O 10245 [0,0,0,0,0,0|1,0,0]=1 4 B15R2.1601 C1=CC=C2C=C(C=CC2=C1)C(=O)NN 10067 [0,1,0,0,0,0|1,0,0]=2 5 B13R2.430 C1=CC(=CC2=C1C=CN2)C(=O)O 6588 [0,0,0,0,1,0|2,0,0]=3 6 B13R2.430 C1=CC(=CC2=C1C=CN2)[N+](=O)[O-] 5219 [0,0,0,0,1,0|3,0,0]=4 7 B13R2.430 C1=CC(=CC2=C1C=CN2)[N+](=O)[O-] 9090 [0,0,0,0,1,0|3,0,0]=4 8 B13R2.430 C1=CC2=C(C=C1C(=O)O)NC=N2 6731 [0,0,0,0,1,0|3,0,0]=4 9 B13R2.430 C1=CC2=C(C=C1C(=O)O)NC=N2 9796 [0,0,0,0,1,0|3,0,0]=4 10 B13R2.430 C1=CC2=C(C=CN2)C=C1C(=O)O 6703 [0,0,0,0,1,0|2,0,0]=3 11 B13R2.430 C1=CC2=C(C=CN2)C=C1[N+](=O)[O-] 10086 [0,0,0,0,1,0|3,0,0]=4 12 B13R2.435 C1=CC=C2C(=C1)C=C(N2)C(=O)O 6682 [0,0,0,0,1,0|2,0,0]=3 13 B13R2.435 C1=CC=C2C(=C1)C=C(N2)C(=O)O 8607 [0,0,0,0,1,0|2,0,0]=3 14 B13R2.435 C1=CC=C2C(=C1)NC(=N2)C(=O)O 8604 [0,0,0,0,1,0|3,0,0]=4 15 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)N I2642 [0,0,0,0,1,0|2,0,0]=3 16 B12R1.125 C1=CC=C(C(=C1)\C=C\C(=O)O)Br 5999 [1,0,1,0,0,0|2,0,0]=4 17 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F 5602 [1,0,1,0,0,0|2,0,0]=4 18 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 9784 [1,0,1,0,0,0|2,0,0]=4 19 B12R2.24 C1=CC2=C(C=CC(=C2)Br)N=C1 10535 [2,0,0,0,0,0|2,0,0]=4 20 B12R2.24 C1=CC2=C(C=CC(=C2)Cl)N=C1 9159 [2,0,0,0,0,0|2,0,0]=4 21 B12R2.24 C1=CC2=C(C=CN=C2)C=C1Br 9970 [2,0,0,0,0,0|2,0,0]=4 22 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br 6528 [2,0,0,0,0,0|2,0,0]=4 23 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Br 8120 [2,0,0,0,0,0|1,0,0]=3 24 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O 5805 [2,0,0,0,0,0|0,0,1]=3 25 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 8882 [2,0,0,0,0,0|1,0,0]=3 26 B12R2.24 c1cc2ccc(cc2nc1)O 5993 [2,0,0,0,0,0|1,0,1]=4 27 B14R2.1019 COC1=CC(=C2C(=C1)C=CC=N2)N 5831 [1,1,0,0,0,0|2,0,0]=4 28 B14R2.2332 C1=CC2=C(C=CC(=C2)O)C=C1C#N 10490 [1,1,0,0,0,0|1,0,1]=4 29 B14R2.2332 COC1=CC2=C(C=C1)C=C(C=C2)Br 8840 [1,1,0,0,0,0|1,0,0]=3 30 B14R2.2332 c1cc(nc2c1cc(cc2)F)C=O F2460 [1,1,0,0,0,0|1,0,0]=3 31 B14R2.966 COC(=O)C1=CC2=C(C=C1)C=CN2 5462 [0,1,0,0,1,0|1,0,0]=3 32 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CN2 9983 [0,1,0,0,1,0|2,0,0]=4 33 B14R2.450 CC1=C(OC2=CC=CC=C12)C(=O)O 8903 [0,1,0,0,1,0|2,0,0]=4 34 B14R2.4529 C1=CC2=C(C=C1F)C=C(N2)C(=O)O 5480 [0,1,0,0,1,0|2,0,0]=4 35 B16R2.33799 COC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br 5744 [0,2,0,0,0,0|0,0,0]=2 36 B16R2.11987 C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1O 9336 [0,2,0,0,0,0|2,0,0]=4 37 B16R2.7486 CC(=O)C1=CC2=C(C=C1)C=C(C=C2)OC 6754 [0,2,0,0,0,0|0,0,0]=2 38 B14R2.31359 C1=CC=C2C(=C1)C=CC=C2C(=O)N 8823 [0,0,1,1,0,0|1,0,0]=3 39 B14R2.31359 CC(=O)C1=CC=CC2=CC=CC=C21 6797 [0,0,1,1,0,0|0,0,0]=2 40 B14R2.31359 C[C@H](C1=CC=CC2=CC=CC=C21)N 8497 [0,0,1,1,0,0|1,0,1]=4 41 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O 5481 [1,0,0,0,1,0|1,0,0]=3 42 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O I2648 [1,0,0,0,1,0|1,0,0]=3 43 B12R2.44 C1=CC2=C(C=CN2)C=C1C=O 10077 [1,0,0,0,1,0|1,0,0]=3 44 B12R2.44 C1=CC2=C(C=CN2)C=C1C=O 9500 [1,0,0,0,1,0|1,0,0]=3 45 B12R2.44 COC1=CC2=C(C=C1)C=CN2 6603 [1,0,0,0,1,0|2,0,0]=4 46 B12R2.44 COC1=CC2=C(C=C1)C=CN2 8822 [1,0,0,0,1,0|2,0,0]=4 47 B12R2.44 c1cc(cc2c1cc[nH]2)C=O F0277 [1,0,0,0,1,0|1,0,0]=3