0 B10R1.4 C[N+]1=CC=CC=C1C=NO S4575 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.4 C[N+]1=CC=CC=C1C=NO S4575 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.4 C[N+]1=CC=CC=C1C=NO S5100 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.8 C1=CC=C(C=C1)CC=O S9357 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.8 C1=CC=C(C=C1)CCN S5346 [1,0,0,0,0,0|0,0,0]=1 5 B9R1.8 C1=CC=C(C=C1)CCN S5347 [1,0,0,0,0,0|0,0,0]=1 6 B9R1.8 C1=CC=C(C=C1)CCO S3703 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.15 C1=CC=C(C(=C1)CO)O S5562 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.15 COC1=CC=CC=C1O S3872 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O S6154 [0,1,0,0,0,0|2,0,1]=4 10 B11R2.10 C1C2=CC=CC=C2NC1=O S4861 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.2 C1=CC=C(C=C1)C=O S5574 [2,0,0,0,0,0|1,0,1]=4 12 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|1,0,0]=3 13 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|1,0,0]=3 14 B8R1.5 C1=CC=C(C(=C1)O)O S6305 [2,0,0,0,0,0|2,0,0]=4 15 B8R1.5 C1=CN=CC(=C1N)N S4622 [2,0,0,0,0,0|2,0,0]=4 16 B8R1.5 C1=CN=CC(=C1N)N S4622 [2,0,0,0,0,0|2,0,0]=4 17 B8R1.5 CC1=C(O)C=CC=C1 S6199 [2,0,0,0,0,0|1,0,0]=3 18 B10R1.1 C1=CC(=CC=C1CCN)O S3625 [1,1,0,0,0,0|0,0,0]=2 19 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [1,1,0,0,0,0|1,0,0]=3 20 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [1,1,0,0,0,0|1,0,0]=3 21 B10R1.17 C1=CC=C(C=C1)C=CCO S5824 [1,1,0,0,0,0|1,0,1]=4 22 B10R1.17 C1=CC=C(C=C1)CN=C=S S4783 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.17 CNCCC1=CC=CC=N1 S3176 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.17 CNCCC1=CC=CC=N1 S3176 [1,1,0,0,0,0|1,0,0]=3 25 B10R1.17 CNCCC1=CC=CC=N1 S5498 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.17 CNCCC1=CC=CC=N1 S5619 [1,1,0,0,0,0|1,0,0]=3 27 B10R1.2 CCC1=C(C(=O)C=CO1)O S6335 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CO S6067 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.61 C1=CC=C(C(=C1)C(=O)N)O S6404 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.61 CC(=O)C1=CC=CC=C1O S9375 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.61 CC1=CC=CC=C1C(=O)O S6217 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.69 CCCCC1=C(C=C(C=C1)O)O S4997 [0,2,0,0,0,0|2,0,0]=4 33 B12R1.121 COC1=CC=CC=C1OCCN S5723 [0,2,0,0,0,0|0,0,0]=2 34 B12R1.1123 C1=C(C(=CC(=C1O)O)O)CCN S5324 [0,2,0,0,0,0|1,0,0]=3 35 B12R1.1123 C1=C(C(=CC(=C1O)O)O)CCN S5324 [0,2,0,0,0,0|1,0,0]=3 36 B10R2.7 C1=CC=C2C(=C1)C=CN2 S6358 [1,0,0,1,0,0|0,0,2]=4 37 B12R2.24 C1CC(=O)OC2=CC=CC=C21 S9379 [0,1,0,1,0,0|2,0,0]=4 38 B12R2.24 C1CC2=C(C=C(C=C2)Br)NC1 S0394 [0,1,0,1,0,0|2,0,0]=4 39 B12R2.24 C1CC2=C(C=C(C=C2)Br)NC1 S0394 [0,1,0,1,0,0|2,0,0]=4 40 B8R1.8 C1=C(NC=N1)CCN S3968 [1,0,0,0,1,0|2,0,0]=4 41 B8R1.8 C1=C(NC=N1)CCN S4117 [1,0,0,0,1,0|2,0,0]=4 42 B8R1.8 C1=C(NC=N1)CCN S4118 [1,0,0,0,1,0|2,0,0]=4 43 B8R1.8 C1=C(NC=N1)CCN S4118 [1,0,0,0,1,0|2,0,0]=4 44 B8R1.8 C1=C(NN=C1)CCN S6612 [1,0,0,0,1,0|2,0,0]=4 45 B8R1.8 C1=C(NN=C1)CCN S6612 [1,0,0,0,1,0|2,0,0]=4