0 B8R1.18 CC1=C(C)OC(=O)O1 AC-13848 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.18 CC1=C(C)OC(N)=N1 AC-57490 [0,0,0,0,0,0|1,0,2]=3 2 B8R1.18 CC1=C(C)SC(Br)=N1 AC-56582 [0,0,0,0,0,0|1,1,2]=4 3 B8R1.18 CC1=C(C)SC(N)=N1 AC-79853 [0,0,0,0,0,0|1,1,2]=4 4 B8R1.18 CC1=CC(=O)OC1O AC-14034 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.18 CC1=CC(C)=NN1C AC-50261 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.18 CC1=CN(C)N=C1I AC-87139 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.18 CC1=NC(Br)=CN1C AC-42675 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.18 CC1=NC(C)=C(C)O1 AC-76171 [0,0,0,0,0,0|0,0,2]=2 9 B8R1.18 CC1=NN(C)C=C1Cl AC-50255 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.18 CC1=NN(C)C=C1N AC-44912 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.18 CC1=NN(C)C=C1N AC-75822 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.2 CC1=CC(=O)CO1 AC-85907 [1,0,0,0,0,0|2,0,1]=4 13 B7R1.2 CC1=CC(C)=NO1 AC-13649 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.2 CC1=CN(C)N=C1 AC-28546 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.2 CC1=CN=C(C)S1 AC-13532 [1,0,0,0,0,0|0,1,2]=4 16 B7R1.2 CC1=CN=C(N)O1 AC-41470 [1,0,0,0,0,0|1,0,2]=4 17 B7R1.2 CC1=NN(C)C=C1 AC-28547 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.2 CC1=NN=C(C)O1 AC-79358 [1,0,0,0,0,0|1,0,2]=4 19 B7R1.2 CC1=NNC(C)=N1 AC-28596 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.4 CC1=C(C)OC=N1 AC-95517 [1,0,0,0,0,0|0,0,2]=3 21 B7R1.4 CC1=NC=CN1C AC-23425 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.4 CC1CCNC1=O AC-80276 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.4 CC1OCCC1=O AC-16100 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.22 CC1=NC(C)=C(CN)S1 AC-34910 [0,1,0,0,0,0|0,1,2]=4 25 B9R1.22 CC1=NC(C)=C(CO)S1 AC-18651 [0,1,0,0,0,0|0,1,2]=4 26 B9R1.22 CC1=NC(C=O)=C(C)O1 AC-76195 [0,1,0,0,0,0|0,0,3]=4 27 B9R1.22 CC1=NC(CO)=C(C)O1 AC-75417 [0,1,0,0,0,0|0,0,2]=3 28 B9R1.23 CC1=C(C)SC(CO)=N1 AC-87205 [0,1,0,0,0,0|0,1,2]=4 29 B9R1.37 CC1=C(O)C(=O)OC1C AC-28455 [0,1,0,0,0,0|2,0,1]=4 30 B7R0.2 COC(=O)C[C@@H](C)O AC-45412 [0,0,1,0,0,0|3,0,0]=4 31 B7R0.5 CCOC(=O)[C@@H](C)N AC-76925 [0,0,1,0,0,0|3,0,0]=4 32 B7R0.5 CCOC(=O)[C@@H](C)O AC-79265 [0,0,1,0,0,0|2,0,0]=3 33 B9R1.34 CC1CC(=O)CC(C)C1 AC-81277 [0,0,0,0,0,1|3,0,0]=4 34 B9R1.34 CC1CC(=O)CC(C)N1 AC-76209 [0,0,0,0,0,1|3,0,0]=4 35 B9R1.69 CC1=CN=C(C)C(C)=C1 AC-11593 [0,0,0,0,0,1|1,0,2]=4 36 B6R0.1 CCOC(=O)CO AC-76790 [1,0,1,0,0,0|2,0,0]=4 37 B6R0.3 COC(=O)[C@H](C)O AC-16717 [1,0,1,0,0,0|2,0,0]=4 38 B6R1.2 CC1=NC=CO1 AC-79510 [2,0,0,0,0,0|0,0,2]=4 39 B6R1.2 CC1=NCCC1 AC-76756 [2,0,0,0,0,0|1,0,0]=3 40 B6R1.2 CC1=NCCO1 AC-82993 [2,0,0,0,0,0|0,0,2]=4 41 B6R1.2 NC1=NCCC1 AC-76909 [2,0,0,0,0,0|2,0,0]=4 42 B6R1.2 O=C1CCOC1 AC-39237 [2,0,0,0,0,0|2,0,0]=4 43 B8R0.5 CCOC(=O)CC(C)O AC-66322 [0,1,1,0,0,0|2,0,0]=4 44 B8R0.5 CCOC(=O)C[C@@H](C)O AC-15114 [0,1,1,0,0,0|2,0,0]=4 45 B8R0.5 CCOC(=O)C[C@H](C)O AC-66323 [0,1,1,0,0,0|2,0,0]=4 46 B8R0.14 CCOC(=O)C(C)(C)O AC-74161 [0,1,1,0,0,0|2,0,0]=4 47 B8R1.1 CC1=NC(CBr)=CO1 AC-94273 [1,1,0,0,0,0|0,0,2]=4 48 B8R1.1 CC1=NC(CN)=CO1 AC-82857 [1,1,0,0,0,0|0,0,2]=4 49 B8R1.1 CC1=NC(CO)=CO1 AC-75448 [1,1,0,0,0,0|0,0,2]=4 50 B8R1.1 CC1=NC=C(CBr)O1 AC-94274 [1,1,0,0,0,0|0,0,2]=4 51 B8R1.1 CC1=NOC(CCl)=N1 AC-45092 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.58 CC1=NC(C(C)C)SC1C AC-85272 [0,2,0,0,0,0|0,1,0]=3 53 B8R1.4 CC1CC(=O)CCO1 AC-40753 [0,0,1,1,0,0|2,0,0]=4 54 B8R1.34 CC(O)CN1CCC1 AC-94166 [0,0,1,1,0,0|2,0,0]=4 55 B8R1.5 CC1=NCCCN1C AC-83111 [0,0,1,1,0,0|2,0,0]=4 56 B8R1.5 CC1NCCCC1=O AC-91259 [0,0,1,1,0,0|2,0,0]=4 57 B8R1.5 O=C1NCCCC1O AC-80821 [0,0,1,1,0,0|1,0,1]=4 58 B8R1.5 O=C1OCCCC1O AC-79460 [0,0,1,1,0,0|2,0,0]=4 59 B8R1.7 NC(=O)C1CCCO1 AC-81426 [0,0,1,1,0,0|1,0,1]=4 60 B8R1.7 O=C(O)[C@H]1CCCO1 AC-10530 [0,0,1,1,0,0|2,0,0]=4 61 B10R2.2 CC1=NC2=C(CNC2)O1 AC-93493 [0,1,0,1,0,0|0,0,2]=4