0 B11R1.28 C1=CC=C(C=C1)CCN=C=O 10538 [1,0,0,0,0,0|1,0,1]=3 1 B11R1.28 C1=CC=C(C=C1)CNCCN 9598 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.28 C1=CC=C(C=C1)OCCCBr 10158 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.91 C1=CC=C(C=C1)OCC(=O)N 5996 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.91 CC(=O)NCC1=CC=NC=C1 10075 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.91 CC(C)NCC1=CC=CC=C1 8834 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.91 c1ccnc(c1)CCC(=O)O P1251 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.91 c1cnccc1CCC(=O)O P1258 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.17 CCNCC1=CC=NC=C1 8861 [2,0,0,0,0,0|2,0,0]=4 9 B10R1.17 CNCCC1=CC=CC=N1 10522 [2,0,0,0,0,0|2,0,0]=4 10 B10R1.17 CNCCC1=CC=CC=N1 6724 [2,0,0,0,0,0|2,0,0]=4 11 B12R1.1 CCCCCC1=CC=C(C=C1)Br 10574 [1,1,0,0,0,0|1,0,1]=4 12 B12R1.1 CCCCCC1=CC=C(C=C1)Cl 6535 [1,1,0,0,0,0|1,0,1]=4 13 B12R1.8 C1=CC=C(C=C1)CCCN=C=S 9988 [1,1,0,0,0,0|0,1,1]=4 14 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O 9395 [1,1,0,0,0,0|1,0,0]=3 15 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Cl 6857 [1,1,0,0,0,0|1,0,1]=4 16 B12R1.21 C1=CC(=CC=C1CCC(=O)O)N 6107 [1,1,0,0,0,0|1,0,1]=4 17 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O 10629 [1,1,0,0,0,0|1,0,1]=4 18 B12R1.21 c1cc(ccc1CCC(=O)O)Br B1115 [1,1,0,0,0,0|1,0,1]=4 19 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N 5722 [1,1,0,0,0,0|1,0,1]=4 20 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N 6844 [1,1,0,0,0,0|1,0,1]=4 21 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N 9748 [1,1,0,0,0,0|1,0,1]=4 22 B12R1.43 C1=CC=C(C=C1)C[C@H](C(=O)O)O 10498 [1,1,0,0,0,0|1,0,1]=4 23 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N 9362 [1,1,0,0,0,0|1,0,1]=4 24 B12R1.107 C1=CC=C(C=C1)C(CC(=O)[O-])[NH3+] 8928 [1,1,0,0,0,0|1,0,1]=4 25 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Br 8755 [1,1,0,0,0,0|1,0,1]=4 26 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl 5181 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F 5182 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.125 CC1=CC=CC=C1CCC(=O)O 8274 [1,1,0,0,0,0|1,0,1]=4 29 B12R1.226 C1=CC(=CC(=C1)Cl)CCC(=O)O 6537 [1,1,0,0,0,0|1,0,1]=4 30 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O 10329 [1,1,0,0,0,0|1,0,1]=4 31 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 8243 [1,0,0,1,0,0|0,0,0]=2 32 B12R2.32 c1ccc2c(c1)CC(C2)CN A0089 [0,0,0,1,1,0|1,0,1]=4 33 B14R2.781 c1ccc2c(c1)CC(CO2)C(=O)O C1215 [0,1,0,1,0,0|1,0,0]=3 34 B10R1.18 CC(C)NC1=CC=CC=C1 6823 [1,0,0,0,1,0|1,0,1]=4 35 B10R1.15 CC(C#N)C1=CC=CC=C1 5998 [0,0,0,0,2,0|1,0,1]=4 36 B10R1.15 CC(CN)C1=CC=CC=C1 9559 [0,0,0,0,2,0|1,0,1]=4