0 B8R0.1 CCOC(=O)\C=C\CBr BBL011101 [1,0,0,0,0,0|1,0,1]=3 1 B10R0.2 CCCC(=O)CC(=O)OCC BBL027758 [0,1,0,0,0,0|0,0,3]=4 2 B10R0.2 CCOC(=O)CC(=O)OCC BBL027742 [0,1,0,0,0,0|1,0,2]=4 3 B10R0.3 CCOC(=O)CCCC(C)=O BBL027744 [0,1,0,0,0,0|0,0,3]=4 4 B10R1.11 CCCC(=O)C1=CC=CS1 BBL037633 [0,0,0,1,0,0|2,0,0]=3 5 B10R1.11 CCOC(=O)C1=CC=CO1 BBL001830 [0,0,0,1,0,0|1,0,0]=2 6 B10R1.11 CCOC(=O)C1=NNC=C1 BBL005520 [0,0,0,1,0,0|2,0,0]=3 7 B10R1.245 COC1=C(C)NC=CC1=O BBL029879 [0,0,0,1,0,0|3,0,0]=4 8 B7R0.3 COC(=O)\C=C\CBr BBL011112 [2,0,0,0,0,0|1,0,1]=4 9 B7R0.3 CO\C=C\C(=O)OC BBL028237 [2,0,0,0,0,0|1,0,0]=3 10 B7R0.7 C\C=C\C(=O)OCC BBL027753 [2,0,0,0,0,0|0,0,0]=2 11 B7R0.4 CCC\C=C/C(=O)O BBL029832 [2,0,0,0,0,0|0,0,2]=4 12 B7R0.4 C\C=C\C=C/C(=O)O BBL011617 [2,0,0,0,0,0|0,0,0]=2 13 B9R0.35 CCOC(=O)C(=O)OCC BBL011413 [1,1,0,0,0,0|1,0,1]=4 14 B9R0.48 CCOC(=O)CCC(C)=O BBL009708 [1,1,0,0,0,0|0,0,2]=4 15 B9R0.1 C\C=C(C)\C=C\C=C(C)C BBL027750 [1,1,0,0,0,0|1,0,1]=4 16 B11R0.62 CCOC(=O)\C=C\C(=O)OCC BBL011468 [0,2,0,0,0,0|0,0,1]=3 17 B9R1.11 CCC(=O)C1=CC=CS1 BBL037420 [1,0,0,1,0,0|1,0,0]=3 18 B9R1.21 CCC1=CC=C(C=O)S1 BBL040916 [1,0,0,1,0,0|1,1,0]=4 19 B11R1.16 CCCC(=O)C1=CC=CC=C1 BBL027757 [0,1,0,1,0,0|1,0,1]=4 20 B11R1.16 CCOC(=O)C1=CC=CC=C1 BBL010500 [0,1,0,1,0,0|0,0,1]=3 21 B11R1.16 CCOC(=O)C1=CC=NC=C1 BBL013187 [0,1,0,1,0,0|0,0,1]=3 22 B11R1.16 CCOC(=O)C1=NC=CC=C1 BBL036381 [0,1,0,1,0,0|0,0,1]=3 23 B11R1.24 CC1=CC(OCCBr)=CC=C1 BBL029542 [0,1,0,1,0,0|1,0,0]=3 24 B11R1.24 CC1=CC=CC(NCCO)=C1 BBL022936 [0,1,0,1,0,0|2,0,0]=4 25 B11R1.24 NC1=CC(OCCO)=CC=C1 BBL029833 [0,1,0,1,0,0|2,0,0]=4 26 B11R1.24 NCCOC1=CC(Cl)=CC=C1 BBL008277 [0,1,0,1,0,0|2,0,0]=4 27 B11R1.189 CCOC1=CC=CC(C=O)=C1 BBL034234 [0,1,0,1,0,0|1,0,1]=4 28 B11R1.199 CCOC(=O)C1=C(C)N=CN1 BBL027807 [0,1,0,1,0,0|1,0,0]=3 29 B11R1.199 CCOC(=O)C1=C(N)C=NN1 BBL008552 [0,1,0,1,0,0|2,0,0]=4 30 B11R1.199 CCOC(=O)C1=C(N)NN=C1 BBL005567 [0,1,0,1,0,0|2,0,0]=4 31 B11R1.199 CCOC(=O)C1=C(N)ON=C1 BBL027801 [0,1,0,1,0,0|2,0,0]=4 32 B11R1.199 CCOC(=O)C1=C(N)SC=C1 BBL016855 [0,1,0,1,0,0|1,0,0]=3 33 B11R1.199 CCOC(=O)C1=C(O)ON=C1 BBL035015 [0,1,0,1,0,0|2,0,0]=4 34 B11R1.265 COC1=C(C=O)C=CC=C1C BBL030850 [0,1,0,1,0,0|2,0,0]=4 35 B11R1.15 CCCC(=O)C1=CC=C(C)S1 BBL017872 [0,1,0,1,0,0|1,0,0]=3 36 B11R1.15 CCCC(=O)C1=CC=C(Cl)S1 BBL016564 [0,1,0,1,0,0|2,0,0]=4 37 B11R1.15 CCNC(=O)C1=CC=C(Br)O1 BBL015661 [0,1,0,1,0,0|2,0,0]=4 38 B11R1.15 CCNC(=O)C1=CC=C(Br)S1 BBL017814 [0,1,0,1,0,0|2,0,0]=4 39 B11R1.15 CCOC(=O)C1=CC(C)=NN1 BBL008948 [0,1,0,1,0,0|2,0,0]=4 40 B11R1.15 CCOC(=O)C1=CC(C)=NO1 BBL004014 [0,1,0,1,0,0|2,0,0]=4 41 B11R1.15 CCOC(=O)C1=CN=C(N)S1 BBL100130 [0,1,0,1,0,0|2,0,0]=4 42 B11R1.15 CCOC(=O)C1=CSC(N)=N1 BBL007566 [0,1,0,1,0,0|2,0,0]=4 43 B11R1.15 CCOC(=O)C1=NN(C)C=C1 BBL038127 [0,1,0,1,0,0|1,0,0]=3 44 B11R1.15 CCOC(=O)C1=NNC(N)=C1 BBL040905 [0,1,0,1,0,0|2,0,0]=4 45 B11R1.15 CCOC(=O)C1=NOC(C)=C1 BBL008537 [0,1,0,1,0,0|2,0,0]=4 46 B11R1.157 CC(C)OC1=CC=CC(N)=C1 BBL036331 [0,1,0,1,0,0|2,0,0]=4 47 B11R1.29 NCCNC(=O)C1=CC=CO1 BBL018500 [0,1,0,1,0,0|2,0,0]=4 48 B11R1.29 O=C(CCCCl)C1=CC=CS1 BBL027526 [0,1,0,1,0,0|2,0,0]=4 49 B11R1.83 CCOC1=CC=C(C=O)C=C1 BBL027437 [0,1,0,1,0,0|2,0,0]=4 50 B11R1.192 CCOC1=CC(N)=C(N)C=C1 BBL000365 [0,1,0,1,0,0|2,0,0]=4