0 B4R0.1 C=C[C@H](C)N 81150 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 C=C[C@H](C)N C77628 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 C=C[C@H](C)N N11410 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 CC(=N)NN C74999 [0,0,0,0,0,0|4,0,0]=4 4 B4R0.1 C[C@H](Cl)CN Y14715 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 C\C=C(\C)Br D93160 [0,0,0,0,0,0|2,1,0]=3 6 B4R0.1 N=C(N)CO 20678 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 NCC(=O)O A10882 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 NCC(=O)O T72551 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 NNC(N)=O D77852 [0,0,0,0,0,0|4,0,0]=4 10 B4R0.1 O=C([O-])C[O-] 47204 [0,0,0,0,0,0|3,0,1]=4 11 B3R0.1 ClCCI T71139 [1,0,0,0,0,0|0,1,2]=4 12 B3R0.2 CC(=O)[O-] AC2626 [1,0,0,0,0,0|2,0,1]=4 13 B3R0.2 CC(=O)[O-] D70195 [1,0,0,0,0,0|2,0,1]=4 14 B3R0.2 CC(=O)[O-] I11566 [1,0,0,0,0,0|2,0,1]=4 15 B3R0.2 C[13C](=O)O 41422 [1,0,0,0,0,0|2,0,1]=4 16 B3R0.2 O=C([O-])[O-] AC2639 [1,0,0,0,0,0|3,0,0]=4 17 B3R0.2 O=C([O-])[O-] AC7869 [1,0,0,0,0,0|3,0,0]=4 18 B3R0.2 O=C([O-])[O-] F20746 [1,0,0,0,0,0|3,0,0]=4 19 B3R0.2 [13CH3]C(=O)O 41421 [1,0,0,0,0,0|2,0,1]=4 20 B3R0.2 [15NH2]C([15NH2])=O 41394 [1,0,0,0,0,0|3,0,0]=4 21 B3R0.2 [15NH2][13C]([15NH2])=O 41395 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 C\C(I)=C/CI AC8880 [0,1,0,0,0,0|1,2,0]=4 23 B5R0.1 C\C(I)=C\CI AC3855 [0,1,0,0,0,0|1,2,0]=4 24 B5R0.1 O=C(O)\C=C\Br AC1121 [0,1,0,0,0,0|2,1,0]=4 25 B5R0.1 O=C(O)\C=C\I W15430 [0,1,0,0,0,0|2,1,0]=4 26 B5R0.4 C=CS(=O)(=O)Cl H11052 [0,1,0,0,0,0|3,0,0]=4 27 B5R0.4 CC(C)(Cl)CCl H11156 [0,1,0,0,0,0|1,0,2]=4 28 B5R0.5 CC(=O)C(N)=S 93979 [0,1,0,0,0,0|3,0,0]=4 29 B5R0.5 NC(=S)C(N)=S D78448 [0,1,0,0,0,0|3,0,0]=4 30 B5R0.5 O=C([O-])C(=O)[O-] AC1285 [0,1,0,0,0,0|3,0,0]=4 31 B4R0.2 C=C\C=C/C T71862 [1,1,0,0,0,0|2,0,0]=4 32 B4R0.2 N\C=C\C=O W10858 [1,1,0,0,0,0|2,0,0]=4 33 B4R0.3 Cl[Pd-2](Cl)(Cl)Cl AC2661 [1,1,0,0,0,0|1,0,0]=3 34 B4R0.3 Cl[Pt-2](Cl)(Cl)Cl 23131 [1,1,0,0,0,0|1,0,0]=3 35 B6R0.4 C=CCCC(=O)Cl F16765 [0,2,0,0,0,0|2,0,0]=4 36 B6R0.4 O=C(O)\C=C\CCl 11303 [0,2,0,0,0,0|2,0,0]=4 37 B6R0.7 CC(C)(Cl)C(=O)Cl S11011 [0,2,0,0,0,0|1,0,1]=4 38 B6R1.2 ClC1=CN=NS1 F18162 [0,1,0,1,0,0|2,0,0]=4 39 B6R1.2 ClC1=NC=CN1 71370 [0,1,0,1,0,0|2,0,0]=4 40 B6R1.2 ClC1=NN=CS1 F20631 [0,1,0,1,0,0|2,0,0]=4