0 B6R0.4 CC(C)CN=C=S BBL027869 [0,0,0,0,0,0|1,1,2]=4 1 B6R0.4 CC(C)OCCCl BBL030951 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C=COC(C)=O BBL036266 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.1 CC(C)=CCO BBL011665 [1,0,0,0,0,0|0,0,3]=4 4 B5R0.1 CC(C)CC=O BBL027631 [1,0,0,0,0,0|0,0,1]=2 5 B5R0.1 CC(C)CCBr BBL011503 [1,0,0,0,0,0|1,0,2]=4 6 B5R0.1 CC(C)CCS BBL027486 [1,0,0,0,0,0|0,1,2]=4 7 B5R0.1 CC(C)N=C=O BBL037676 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.2 CCCCC=O BBL027632 [1,0,0,0,0,0|0,0,2]=3 9 B7R0.2 CC(C)CC(=O)NN BBL016229 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.2 CC(C)NC(=O)CN BBL030729 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.2 COC(=O)CC(C)C BBL011395 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.4 C=CCNCC(C)C BBL000393 [0,1,0,0,0,0|1,0,2]=4 13 B7R0.6 CC(=O)CCN(C)C BBL013551 [0,1,0,0,0,0|1,0,2]=4 14 B7R0.6 CC(=O)\C=C\C(C)C BBL027791 [0,1,0,0,0,0|0,0,0]=1 15 B7R0.6 CC(=O)\C=C\N(C)C BBL028273 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.6 CC(C)COC(=O)Cl BBL011424 [0,1,0,0,0,0|1,0,1]=3 17 B7R0.6 CC(C)OCC(=O)O BBL031299 [0,1,0,0,0,0|1,0,1]=3 18 B7R1.2 CC1=NN(C)C=C1 BBL038742 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.2 CC1CCC(=O)O1 BBL011475 [0,0,0,1,0,0|1,0,2]=4 20 B7R1.2 CC1COC(=O)O1 BBL027518 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.2 CN1C=CC(N)=N1 BBL028677 [0,0,0,1,0,0|3,0,0]=4 22 B4R0.1 CC(C)C=O BBL034648 [2,0,0,0,0,0|0,0,0]=2 23 B4R0.1 CC(C)CBr BBL036259 [2,0,0,0,0,0|1,0,1]=4 24 B4R0.2 C\C=C\C#N BBL036260 [2,0,0,0,0,0|1,0,1]=4 25 B4R0.2 C\C=C\C=O BBL011428 [2,0,0,0,0,0|0,0,0]=2 26 B4R0.2 C\C=C\CO BBL027414 [2,0,0,0,0,0|0,0,2]=4 27 B6R0.1 CCC(C)N=C=O BBL037641 [1,1,0,0,0,0|1,0,1]=4 28 B6R0.2 CC(C)=CC(=O)Cl BBL027309 [1,1,0,0,0,0|0,0,1]=3 29 B6R0.2 CC(C)CC(=O)Cl BBL027310 [1,1,0,0,0,0|0,0,1]=3 30 B6R0.2 CC(C)CC(=O)O BBL027399 [1,1,0,0,0,0|0,0,1]=3 31 B6R0.2 CC(C)OC(=S)[S-] BBL011317 [1,1,0,0,0,0|1,1,0]=4 32 B6R0.2 CC(O)CC(=O)O BBL027467 [1,1,0,0,0,0|1,0,1]=4 33 B6R0.3 CC(C)C(=O)NN BBL013917 [1,1,0,0,0,0|2,0,0]=4 34 B6R0.3 CC(C)\C(N)=N\O BBL005403 [1,1,0,0,0,0|1,0,1]=4 35 B6R0.6 CCCCOC=O BBL012218 [1,1,0,0,0,0|0,0,2]=4 36 B8R0.23 CC(C)CC(N)C(N)=O BBL012271 [0,2,0,0,0,0|0,0,2]=4 37 B8R0.23 CC(C)NC(=O)C(=O)O BBL000516 [0,2,0,0,0,0|1,0,0]=3 38 B8R0.9 CC(C)CNC(=O)CN BBL031396 [0,2,0,0,0,0|1,0,1]=4 39 B8R0.28 CC(=O)CCC=C(C)C BBL027733 [0,2,0,0,0,0|0,0,2]=4 40 B8R1.1 CC1=CC=C(C=O)N1 BBL011859 [0,1,0,1,0,0|1,0,1]=4 41 B8R1.1 CN1C=CC(C=O)=N1 BBL104309 [0,1,0,1,0,0|2,0,0]=4 42 B8R1.4 CC1CCCC(=O)C1 BBL013179 [0,1,0,1,0,0|0,0,2]=4 43 B8R1.51 NC1C=CS(=O)(=O)C1 BBL036806 [0,1,0,1,0,0|2,0,0]=4 44 B8R1.51 O=S1(=O)C=CC(Cl)C1 BBL010053 [0,1,0,1,0,0|2,0,0]=4