0 B11R1.91 N=C(N)CCC1=CC=CC=C1 4091002 [1,0,0,0,0,0|2,0,0]=3 1 B11R1.91 N=C(N)NCC1=CC=CC=C1 4087928 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.91 N=C(N)NCC1=CC=CC=C1 4089197 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 3020214 [1,0,0,0,0,0|1,0,2]=4 4 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 4089654 [0,1,0,0,0,0|0,0,0]=1 5 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 4091347 [0,1,0,0,0,0|1,0,0]=2 6 B13R1.528 NNC(=O)CCC1=CC=CC=C1O 3005121 [0,1,0,0,0,0|2,0,0]=3 7 B13R2.33 O=C1CCC2=CC=CC=C2CN1 4036517 [0,0,0,1,0,0|1,0,0]=2 8 B12R1.1 COCCOC1=CC=C(N)C=C1 4087798 [1,1,0,0,0,0|1,0,1]=4 9 B12R1.8 CCNCCCC1=CC=CC=C1 4090411 [1,1,0,0,0,0|1,0,1]=4 10 B12R1.28 COCCOC1=CC(N)=CC=C1 4090460 [1,1,0,0,0,0|1,0,1]=4 11 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 4089836 [1,1,0,0,0,0|1,0,0]=3 12 B12R1.226 C=C(C)COC1=CC=CC(N)=C1 4091020 [1,1,0,0,0,0|2,0,0]=4 13 B12R1.26 COC(=O)CCN1C=C(Br)C=N1 3003068 [0,1,0,0,1,0|2,0,0]=4 14 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 4090718 [0,1,0,0,1,0|1,0,0]=3 15 B12R1.34 NNC(=O)[C@@H](O)C1=CC=CC=C1 4065828 [0,1,0,0,1,0|2,0,0]=4 16 B12R1.50 CCC(=O)NC1=CC=CC(N)=C1 3003097 [0,1,0,0,1,0|2,0,0]=4 17 B12R1.371 NNC(=O)CC1=C(Cl)C=CC=C1 3015351 [0,1,0,0,1,0|2,0,0]=4 18 B12R2.24 NC1CCC2=C(C=CC=C2)C1 4087906 [1,0,0,1,0,0|1,0,1]=4 19 B12R2.6 O=C1CC(C2=COC=C2)CN1 4058505 [0,0,0,1,1,0|2,0,0]=4 20 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [1,0,0,0,1,0|1,0,0]=3