0 B8R1.1 CC1=CSC(CN)=N1 C11625 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.1 CC1=NC=C(CN)O1 C72631 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.1 CCC1=CN=C(N)S1 C13826 [0,0,0,0,0,0|3,1,0]=4 3 B8R1.1 CN1C=NC(CN)=N1 P18523 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.1 NCC1=CC=C(F)S1 38845 [0,0,0,0,0,0|2,1,0]=3 5 B8R1.1 NCC1=NC=C(Cl)S1 W17904 [0,0,0,0,0,0|3,1,0]=4 6 B8R1.1 O=C1NC[C@H](CO)O1 P14223 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.1 OCC1=CC=C(F)S1 83085 [0,0,0,0,0,0|1,1,0]=2 8 B8R1.1 OCC1=NC=C(Br)O1 86228 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.1 OCC1=NN=CO1 AT18766 [1,0,0,0,0,0|2,0,0]=3 10 B7R1.1 OCC1=NSC=C1 AT21123 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.1 OC[C@@H]1C=CCC1 74782 [1,0,0,0,0,0|1,0,2]=4 12 B7R1.2 CC1=NC(N)=CS1 AC8716 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.7 CC1=NC=C(CCO)S1 D96356 [0,1,0,0,0,0|1,1,0]=3 15 B9R1.22 CC1=C(CO)N=C(Br)S1 F12057 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.22 CC1=CN(C)N=C1CO F50015 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.22 CC1=NC(C)=C(CN)O1 88380 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.23 CC1=C(Br)C=C(C#N)N1 W19337 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.35 CC1=CC=C([C@H](C)N)O1 AT20911 [0,1,0,0,0,0|1,0,0]=2 20 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11523 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.1 CC1=NN=C(C=O)C=C1 97332 [0,0,0,0,0,1|1,0,2]=4 22 B9R1.2 C#CC1=CC(C)=NC=C1 D79801 [0,0,0,0,0,1|2,0,1]=4 23 B9R1.2 CC1=CC(CCl)=NN=C1 F30431 [0,0,0,0,0,1|3,0,0]=4 24 B9R1.2 CC1=CC=NC(C=O)=N1 P10996 [0,0,0,0,0,1|1,0,2]=4 25 B9R1.2 CC1=CN=NC(CN)=C1 P15265 [0,0,0,0,0,1|3,0,0]=4 26 B9R1.2 ClC1=CC(CBr)=NC=C1 78953 [0,0,0,0,0,1|3,0,0]=4 27 B9R1.2 ClCC1=NC=CC(Br)=C1 D74784 [0,0,0,0,0,1|3,0,0]=4 28 B9R1.2 FC1=CC(CBr)=CN=C1 89068 [0,0,0,0,0,1|3,0,0]=4 29 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [0,0,0,0,0,1|2,0,0]=3 30 B9R1.2 NC1=CC(CO)=NC=N1 CS2745 [0,0,0,0,0,1|3,0,0]=4 31 B9R1.2 NCC1=CC=NC(Cl)=N1 P15224 [0,0,0,0,0,1|3,0,0]=4 32 B9R1.2 OC1=CC=NC(CCl)=N1 F19650 [0,0,0,0,0,1|3,0,0]=4 33 B9R1.2 OCC1=NC=CC(F)=C1 79250 [0,0,0,0,0,1|2,0,0]=3 34 B6R0.4 O=C(O)\C=C\CF AT12709 [1,0,1,0,0,0|2,0,0]=4 35 B6R0.4 O=C(O)\C=C\CO AT11505 [1,0,1,0,0,0|1,0,0]=3 36 B6R0.9 C\C=C(\C=O)CC AC9866 [1,0,1,0,0,0|2,0,0]=4 37 B6R1.2 BrC1=CC=NO1 A51037 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.7 C[C@H](N)C1=CC=CO1 Y14798 [1,1,0,0,0,0|1,0,0]=3 39 B8R1.7 C[C@H](N)C1=CC=CS1 Y14840 [1,1,0,0,0,0|1,1,0]=4 40 B8R1.8 CNCC1=NC=CO1 66406 [1,1,0,0,0,0|2,0,0]=4 41 B8R1.8 COCC1=NNC=C1 AC8210 [1,1,0,0,0,0|2,0,0]=4 42 B8R1.50 CC1=CSC(C)=C1Br O10952 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96455 [0,1,0,0,0,1|2,0,0]=4 44 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 Y13953 [0,1,0,0,0,1|2,0,0]=4 45 B10R1.25 NC1=CC(Cl)=CN=C1CO P14259 [0,1,0,0,0,1|2,0,0]=4 46 B10R1.26 CC1(C)CC=C(CO)CO1 P20852 [0,1,0,0,0,1|0,0,2]=4 47 B10R1.176 CC1=C(C)N=C(CN)C=C1 D85900 [0,1,0,0,0,1|2,0,0]=4 48 B10R1.176 OCC1=CC(Br)=C(F)N=C1 P17928 [0,1,0,0,0,1|2,0,0]=4 49 B10R1.2 CC1=CC=CC(CCl)=C1F E70216 [0,1,0,0,0,1|2,0,0]=4 50 B10R1.2 CCC1=NC=CC(C)=C1N 60037 [0,1,0,0,0,1|2,0,0]=4 51 B10R1.2 NC1=C(Cl)C(CO)=CC=C1 D96960 [0,1,0,0,0,1|2,0,0]=4 52 B10R1.2 NC1=CC=CC(CO)=C1N C74417 [0,1,0,0,0,1|2,0,0]=4 53 B10R1.8 CC1=CC(Br)=CC(CN)=N1 C76956 [0,1,0,0,0,1|2,0,0]=4 54 B10R1.8 OCC1=CC(Br)=CC(Br)=N1 D96598 [0,1,0,0,0,1|2,0,0]=4 55 B10R1.10 CC1=NC=CC(CCN)=C1 78539 [0,1,0,0,0,1|2,0,0]=4 56 B10R1.10 OCCC1=CC(F)=CN=C1 P21101 [0,1,0,0,0,1|2,0,0]=4 57 B10R1.30 CC1=CC=C(N)C(CO)=N1 P12542 [0,1,0,0,0,1|1,0,0]=3 58 B10R1.30 CC1=CN=C(Cl)C(CN)=C1 79403 [0,1,0,0,0,1|2,0,0]=4 59 B10R1.30 CC1=NC(CN)=C(F)C=C1 D79767 [0,1,0,0,0,1|2,0,0]=4 60 B10R1.172 CCC1=CC=CC(NC)=N1 C77377 [0,1,0,0,0,1|2,0,0]=4 61 B10R1.172 COC1=NC(CN)=NC=C1 P10963 [0,1,0,0,0,1|2,0,0]=4 62 B10R1.14 CN1C=CC([C@@H](N)CO)=N1 P20630 [0,2,0,0,0,0|2,0,0]=4 63 B10R1.54 CC1=NC(CC(=O)O)=CO1 E70433 [0,2,0,0,0,0|2,0,0]=4 64 B10R1.131 CN1N=C(CCO)C=C1N AC3264 [0,2,0,0,0,0|2,0,0]=4 65 B10R1.31 CSC1=CC=C(B(O)O)S1 D71754 [0,2,0,0,0,0|1,1,0]=4