0 B10R1.15 C=CC(=O)C1=CC=CC=C1 T20607 [1,0,0,0,0,0|0,0,1]=2 1 B10R1.15 CNC(=O)c1cccnc1 T5233 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.15 COC(=O)c1cccnc1 T5562 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.15 NNC(=O)C1=CC=CC=N1 T1374 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.15 NNC(=O)c1cccnc1 T0664 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.15 NNC(=O)c1ccncc1 T0972 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.478 CCC(C(=O)O)c1ccccc1 T0631 [0,1,0,0,0,0|0,0,2]=3 7 B12R2.1 O=Cc1coc2ccccc12 T7973 [0,0,0,1,0,0|1,0,0]=2 8 B9R1.6 CC(=O)c1ccccc1 T7446 [2,0,0,0,0,0|0,0,0]=2 9 B9R1.6 CC(=O)c1cnccn1 T5596 [2,0,0,0,0,0|2,0,0]=4 10 B9R1.6 C[C@H](O)c1ccccc1 T4784 [2,0,0,0,0,0|0,0,2]=4 11 B9R1.6 N=C(N)c1ccccc1 T8362 [2,0,0,0,0,0|2,0,0]=4 12 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [2,0,0,0,0,0|1,0,0]=3 13 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [2,0,0,0,0,0|2,0,0]=4 14 B9R1.6 NC(=O)C1=CC=NC=C1 T0552 [2,0,0,0,0,0|2,0,0]=4 15 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [2,0,0,0,0,0|2,0,0]=4 16 B9R1.6 O=C(O)c1ccccc1 T0833 [2,0,0,0,0,0|1,0,0]=3 17 B9R1.6 O=C(O)c1ccccn1 T4850 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.6 O=C(O)c1cccnc1 T0879 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.6 O=C(O)c1ccncc1 Fr13756 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.6 O=C([O-])c1ccccc1 T8124 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.6 O=C([O-])c1ccccn1 T4575 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [2,0,0,0,0,0|0,0,1]=3 23 B11R1.16 O=C(CCCl)c1ccccc1 T1342 [1,1,0,0,0,0|0,0,1]=3 24 B11R1.16 O=C(NCO)c1cccnc1 T7869 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [1,1,0,0,0,0|0,0,1]=3 26 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.22 O=C(CBr)c1ccc(O)cc1 T7084 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.23 COC(=O)c1cncc(C)c1 T0548 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.36 C=C(C(=O)O)c1ccccc1 T0629 [1,1,0,0,0,0|0,0,0]=2 30 B11R1.36 O=C(O)C(=O)c1ccccc1 T8025 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.36 O=C(O)C(O)c1ccccc1 T4848 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.36 O=C(O)[C@H](O)c1ccccc1 T2S0122 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.222 COC(=O)c1ccccc1N TN1925 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.222 COC(=O)c1ccccc1O T0399 [1,1,0,0,0,0|1,0,0]=3 35 B11R2.1 O=C1CCc2ccccc21 T0564 [1,0,0,1,0,0|0,0,1]=3 36 B13R2.57 COc1ccc2ccccc2c1 T0573 [0,0,0,1,0,1|2,0,0]=4 37 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 T22398 [0,1,0,1,0,0|1,0,1]=4 38 B9R1.11 COC(=O)c1ccco1 T8022 [1,0,0,0,1,0|2,0,0]=4