0 B11R1.29 CNCC[C@H](O)C1=CC=CS1 SC-24208 [0,0,0,0,0,0|1,1,2]=4 1 B10R1.11 CCOC(=O)C1=CC=CN1 SC-16322 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.11 CCOC(=O)C1=CC=CS1 SC-75520 [1,0,0,0,0,0|1,1,0]=3 3 B10R1.11 CCOC(=O)C1=CCCO1 SC-48295 [1,0,0,0,0,0|1,0,2]=4 4 B10R1.11 CCOC(=O)C1=CN=CO1 SC-49297 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.11 CCOC(=O)C1=CNC=C1 SC-92970 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.11 CCOC(=O)C1=CNC=N1 SC-21238 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.11 CCOC(=O)C1=COC=N1 SC-51755 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.11 CCOC(=O)C1=CSC=N1 SC-30897 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.11 CCOC(=O)C1=NC=CN1 SC-48135 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.11 CCOC(=O)C1=NC=CO1 SC-47991 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.11 CCOC(=O)C1=NC=CS1 SC-48366 [1,0,0,0,0,0|2,1,0]=4 12 B10R1.11 CCOC(=O)C1=NNC=C1 SC-44242 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.11 CCOC(=O)C1=NOC=C1 SC-45742 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.11 N#CCC(=O)C1=CC=CS1 SC-92811 [1,0,0,0,0,0|1,1,1]=4 15 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 SC-53632 [0,1,0,0,0,0|1,0,1]=3 16 B10R0.19 CCCCC(=O)C(=O)OCC SC-20394 [0,0,1,0,0,0|1,0,2]=4 17 B9R1.11 CCC(=O)C1=CC=CS1 SC-77380 [2,0,0,0,0,0|0,1,0]=3 18 B9R1.11 COC(=O)C1=CC=CN1 SC-00539 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.11 COC(=O)C1=CC=CO1 SC-50813 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.11 COC(=O)C1=CC=CS1 SC-47325 [2,0,0,0,0,0|1,1,0]=4 21 B9R1.11 NNC(=O)C1=CC=CO1 SC-81851 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.11 O=C(CBr)C1=CC=CO1 SC-24365 [2,0,0,0,0,0|1,0,0]=3 23 B11R1.15 CCOC(=O)C1=CC(Br)=CN1 SC-91802 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.15 CCOC(=O)C1=CC(Br)=NO1 SC-27874 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.15 CCOC(=O)C1=CC(C)=NO1 SC-50125 [1,1,0,0,0,0|2,0,0]=4 26 B11R1.15 CCOC(=O)C1=CC=C(Br)S1 SC-23753 [1,1,0,0,0,0|1,1,0]=4 27 B11R1.15 CCOC(=O)C1=CC=C(C)N1 SC-27130 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.15 CCOC(=O)C1=CC=C(Cl)S1 SC-25197 [1,1,0,0,0,0|1,1,0]=4 29 B11R1.15 CCOC(=O)C1=CN=C(Br)O1 SC-66746 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.15 CCOC(=O)C1=CN=C(Cl)O1 SC-53606 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.15 CCOC(=O)C1=CN=C(N)O1 SC-48659 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.15 CCOC(=O)C1=NC=C(C)O1 SC-28327 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.199 CCOC(=O)C1=C(C)C=CN1 SC-91102 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.199 CCOC(=O)C1=C(C)N=CO1 SC-22521 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.199 CCOC(=O)C1=C(F)C=CN1 SC-74084 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.199 CCOC(=O)C1=C(N)C=CN1 SC-43949 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.4 CCCCCCC1=CC=CS1 SC-44066 [1,1,0,0,0,0|0,1,1]=4 38 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 SC-46594 [0,1,0,0,0,1|2,0,0]=4 39 B13R1.24 CNCCCC(=O)C1=CN=CC=C1 SC-90869 [0,1,0,0,0,1|1,0,0]=3 40 B13R1.33 CCOC(=O)CC(=O)C1=CC=CS1 SC-77838 [0,2,0,0,0,0|0,1,1]=4 41 B11R2.106 O=C1CCCC2=C1C=CN2 SC-48328 [1,0,0,1,0,0|2,0,0]=4 42 B11R2.106 O=C1CCCC2=C1C=CO2 SC-66794 [1,0,0,1,0,0|2,0,0]=4 43 B11R2.106 O=C1CCCC2=C1C=CS2 SC-25058 [1,0,0,1,0,0|2,0,0]=4 44 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 SC-24883 [0,0,0,1,0,1|2,0,0]=4 45 B13R2.5252 C=C1CCCCC2=CC=CC=C12 SC-92150 [0,0,0,1,0,1|2,0,0]=4 46 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 SC-20024 [0,0,0,1,0,1|2,0,0]=4