0 B12R1.27 COC(=O)NCC1=CC=CC=C1 BBC/155 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.27 NNC(=O)CCC1=CC=CC=C1 BBC/635 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 BBB/449 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 BBC/887 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 BBC/036 [0,1,0,0,0,0|1,0,2]=4 5 B13R1.14 CNC(=O)\C=C\C1=CC=C(N)C=C1 BBB/994 [0,1,0,0,0,0|1,0,0]=2 6 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 BBC/907 [0,1,0,0,0,0|1,0,1]=3 7 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 BBB/1007 [0,1,0,0,0,0|1,0,2]=4 8 B13R1.42 CCNC(=O)CCC1=CC=CC=C1 BBB/472 [0,1,0,0,0,0|1,0,2]=4 9 B13R1.528 CNC(=O)CCC1=C(N)C=CC=C1 BBC/012 [0,1,0,0,0,0|1,0,2]=4 10 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 BBB/376 [0,0,0,1,0,0|2,0,1]=4 11 B11R1.40 NNC(=O)CC1=CC=CC=C1 BBB/545 [0,0,0,0,1,0|2,0,1]=4 12 B11R1.40 O=C(CBr)NC1=CC=CC=C1 BBB/492 [0,0,0,0,1,0|3,0,0]=4 13 B11R1.40 O=C(CS)NC1=CC=CC=C1 BBC/447 [0,0,0,0,1,0|3,0,0]=4 14 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 BBB/205 [1,1,0,0,0,0|1,0,1]=4 15 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 BBB/231 [1,1,0,0,0,0|0,0,0]=2 16 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 BBB/216 [1,1,0,0,0,0|1,0,1]=4 17 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 BBB/863 [1,1,0,0,0,0|0,0,0]=2 18 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 BBB/228 [1,1,0,0,0,0|0,0,0]=2 19 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O BBB/241 [1,1,0,0,0,0|1,0,1]=4 20 B12R1.125 CC1=CC=CC=C1OCC(=O)O BBB/207 [1,1,0,0,0,0|1,0,1]=4 21 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 BBB/586 [1,1,0,0,0,0|1,0,1]=4 22 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 BBC/475 [1,1,0,0,0,0|1,0,1]=4 23 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 BBB/195 [1,1,0,0,0,0|0,0,0]=2 24 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 BBB/206 [1,1,0,0,0,0|1,0,1]=4 25 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 BBB/782 [0,1,0,0,1,0|2,0,0]=4 26 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 BBB/392 [0,1,0,0,1,0|2,0,0]=4 27 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 BBB/971 [0,1,0,0,1,0|1,0,1]=4 28 B12R1.50 CCC(=O)NC1=CC(O)=CC=C1 BBB/382 [0,1,0,0,1,0|2,0,0]=4 29 B12R1.50 CCC(=O)NC1=CC=CC(N)=C1 BBB/527 [0,1,0,0,1,0|2,0,0]=4 30 B12R1.371 CCC(=O)NC1=CC=CC=C1O BBB/381 [0,1,0,0,1,0|2,0,0]=4 31 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 BBC/371 [0,2,0,0,0,0|0,0,1]=3 32 B12R1.354 COC(=O)C1=CC(Br)=CC=C1O BBB/379 [0,0,1,1,0,0|2,0,0]=4 33 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1O BBB/889 [0,0,1,1,0,0|2,0,0]=4 34 B12R2.1081 CC1=CC=CC2=CC=CN=C12 BBC/199 [1,0,0,1,0,0|2,0,0]=4 35 B12R2.24 NC1=CC=C2C=CC=CC2=C1 BBC/428 [1,0,0,1,0,0|1,0,1]=4 36 B14R2.95 CCC(=O)C1=CNC2=CC=CC=C21 BBC/219 [0,0,0,1,0,1|1,0,0]=3 37 B14R2.2332 COC1=CC=C2N=C(C)C=CC2=C1 BBC/370 [0,1,0,1,0,0|2,0,0]=4 38 B14R2.29369 O=C1C=CC2=C(C=CC(Br)=C2)C1=O BBC/206 [0,1,0,1,0,0|2,0,0]=4 39 B10R1.66 O=C(O)\C=C\C1=CC=CO1 BBB/502 [1,0,0,0,1,0|1,0,0]=3 40 B10R1.66 O=C(O)\C=C\C1=CC=CS1 BBB/524 [1,0,0,0,1,0|1,0,0]=3