0 B8R1.18 CC1=C(C)NC(N)=N1 C72528 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.18 CC1=C(C)OC(N)=N1 F16841 [0,0,0,0,0,0|1,0,2]=3 2 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.18 CC1=CC(C)=C(C)S1 T71950 [0,0,0,0,0,0|1,1,2]=4 4 B8R1.18 CC1=CN(C)N=C1Br P19396 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.18 CC1=CN(C)N=C1I C72577 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.18 CC1=CN(C)N=C1N 51246 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.18 CC1=CN(C)N=C1N 98162 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.18 CC1=C[C@@H](O)OC1=O C77517 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.18 CC1=C[C@H](Cl)OC1=O F17135 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.18 CC1=NC(Br)=C(C)S1 C77077 [0,0,0,0,0,0|1,1,2]=4 11 B8R1.18 CC1=NC(C)=C(Br)S1 C15490 [0,0,0,0,0,0|1,1,2]=4 12 B8R1.18 CC1=NC(I)=CN1C F51115 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.18 CC1=NN(C)C=C1Cl 57531 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.18 CC1=NN(C)C=C1I C76091 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.18 CC1=NN(C)C=C1O F30460 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.18 CC1=NN(C)N=C1Br O11170 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.18 C[C@@H]1SC(N)=NC1=O D85819 [0,0,0,0,0,0|2,1,1]=4 18 B7R1.2 CC1=CC(=O)CO1 Y10351 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.2 CC1=CN(C)C=N1 11615 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.2 CC1=CN=C(N)O1 80158 [1,0,0,0,0,0|1,0,2]=4 21 B7R1.2 CC1=COC(Br)=N1 S10976 [1,0,0,0,0,0|1,0,2]=4 22 B7R1.2 CC1=COC(S)=N1 W16843 [1,0,0,0,0,0|1,0,2]=4 23 B7R1.2 CC1=NOC(N)=N1 AT13650 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.2 CC1=NOC(O)=N1 C90490 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.2 CN1C=N[N+](C)=C1 T70137 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [1,0,0,0,0,0|2,0,1]=4 27 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [1,0,0,0,0,0|2,0,1]=4 28 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [1,0,0,0,0,0|1,0,2]=4 30 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [1,0,0,0,0,0|1,0,2]=4 31 B7R1.2 NC1=NC(=O)CO1 C73385 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.4 CC1=C(C)NC=N1 SC3541 [1,0,0,0,0,0|1,0,2]=4 33 B7R1.4 CC1=CCOC1=O T72100 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.4 CN1CCN=C1N W16176 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.22 CC1=NC(C)=C(CN)S1 72289 [0,1,0,0,0,0|0,1,2]=4 36 B9R1.22 CC1=NC(C)=C(CO)S1 71413 [0,1,0,0,0,0|0,1,2]=4 37 B9R1.22 CC1=NC(CO)=C(C)O1 S11075 [0,1,0,0,0,0|0,0,2]=3 38 B9R1.23 CC1=C(C)SC(CO)=N1 S11102 [0,1,0,0,0,0|0,1,2]=4 39 B7R0.2 COC(C)CC(C)O 78061 [0,0,1,0,0,0|2,0,1]=4 40 B7R0.5 CCOC(=O)C(=N)N W18562 [0,0,1,0,0,0|2,0,1]=4 41 B7R0.5 CCOC(=O)[C@H](C)O D75729 [0,0,1,0,0,0|2,0,0]=3 42 B7R0.5 CCSC(=O)[C@H](C)N C14826 [0,0,1,0,0,0|3,0,0]=4 43 B7R0.7 CCOP(C)OCC 28742 [0,0,1,0,0,0|2,0,1]=4 44 B9R2.39 O=C1NC2CCC1C2 W18193 [0,0,0,1,0,0|2,0,1]=4 45 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 86118 [0,0,0,1,0,0|2,0,1]=4 46 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 D96860 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.34 CC1=NC(C)=NC(C)=N1 A12862 [0,0,0,0,0,1|1,0,2]=4 48 B9R1.34 CC1CC(=O)CC(C)N1 32785 [0,0,0,0,0,1|3,0,0]=4 49 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 P14153 [0,0,0,0,0,1|2,0,0]=3 50 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,0,0,0,0,1|3,0,0]=4 51 B9R1.69 C[C@H]1CN[C@H](C)CN1C 39080 [0,0,0,0,0,1|3,0,0]=4 52 B9R1.69 C[C@H]1CN[C@H](C)CN1C 39081 [0,0,0,0,0,1|3,0,0]=4 53 B9R1.69 C[C@H]1CN[C@H](C)CN1C W10089 [0,0,0,0,0,1|3,0,0]=4 54 B6R0.1 CCNC(=O)CO 79517 [1,0,1,0,0,0|1,0,1]=4 55 B6R0.1 CCO[C@@H](C)CO 91003 [1,0,1,0,0,0|1,0,1]=4 56 B6R0.2 C[C@H](O)CN(C)C A11394 [1,0,1,0,0,0|2,0,0]=4 57 B6R0.4 CCOCC(=O)O D73862 [1,0,1,0,0,0|2,0,0]=4 58 B6R0.4 CCOC[C@H](C)N 75202 [1,0,1,0,0,0|0,0,2]=4 59 B6R0.3 CCN(C)C(C)=O F19909 [1,0,1,0,0,0|2,0,0]=4 60 B6R0.3 CC[C@H](C)C(=O)O 88659 [1,0,1,0,0,0|2,0,0]=4 61 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [1,0,1,0,0,0|1,0,1]=4 62 B8R0.23 CC(=O)O[C@@H](C)C(C)=O H10680 [0,1,1,0,0,0|1,0,1]=4 63 B8R0.24 CC[C@H](C)OC(C)(C)C A10768 [0,1,1,0,0,0|1,0,1]=4 64 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [0,1,1,0,0,0|2,0,0]=4 65 B8R0.12 CCOC(C)(C)C(N)=O Y13484 [0,1,1,0,0,0|1,0,1]=4 66 B8R1.1 CC1=NC(CBr)=NO1 F13555 [1,1,0,0,0,0|1,0,1]=4 67 B8R1.1 CC1=NC(CCl)=NO1 C71636 [1,1,0,0,0,0|1,0,1]=4 68 B8R1.1 CC1=NC(CN)=NO1 72162 [1,1,0,0,0,0|1,0,1]=4 69 B8R1.1 CC1=NOC(CN)=N1 S10792 [1,1,0,0,0,0|1,0,1]=4 70 B8R1.1 C[C@@H]1CC[C@H](CO)O1 73085 [1,1,0,0,0,0|1,0,1]=4 71 B8R1.11 CC1=C(CCl)N=CO1 AC3323 [1,1,0,0,0,0|0,0,2]=4 72 B8R1.11 CC1=C(CO)N=CO1 AT18595 [1,1,0,0,0,0|0,0,2]=4 73 B8R1.19 CC1(C)OCCC1=O P18857 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.329 CC1CC(C)(C)OC(C)O1 D93509 [0,1,0,0,0,1|1,0,1]=4 75 B10R1.59 CC(=O)C1=C(C)OC(C)=N1 C74185 [0,2,0,0,0,0|0,0,2]=4 76 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,0,1,1,0,0|2,0,0]=4 77 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,0,1,1,0,0|1,0,1]=4 78 B8R1.5 CC1=NCCN=C1C N13379 [0,0,1,1,0,0|1,0,1]=4 79 B8R1.5 CC1NCCOC1C F12405 [0,0,1,1,0,0|0,0,2]=4 80 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,0,1,1,0,0|1,0,1]=4 81 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,0,1,1,0,0|2,0,0]=4 82 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,0,1,1,0,0|1,0,1]=4 83 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,0,1,1,0,0|2,0,0]=4 84 B8R1.7 CC(C)C1=NCCO1 T71548 [0,0,1,1,0,0|2,0,0]=4 85 B8R1.7 N=C(N)[C@@H]1CCCN1 D72051 [0,0,1,1,0,0|2,0,0]=4 86 B8R1.7 N=C(N)[C@@H]1CCCO1 C75904 [0,0,1,1,0,0|1,0,0]=3 87 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [0,0,1,1,0,0|2,0,0]=4 88 B8R1.37 CCOC(=O)[C@@H]1CO1 20558 [0,0,1,1,0,0|2,0,0]=4 89 B8R1.78 C[C@@]1(C(=O)O)CCO1 P18488 [0,0,1,1,0,0|2,0,0]=4 90 B8R1.8 CCO[C@H]1CCNC1 P10149 [0,0,1,1,0,0|2,0,0]=4 91 B8R1.22 C[C@H]1CNCCCO1 72856 [0,0,1,1,0,0|2,0,0]=4 92 B10R2.99 OC[C@@H]1C[C@H]2CC[C@@H]1O2 D79702 [0,1,0,1,0,0|1,0,1]=4 93 B10R2.99 OC[C@H]1C[C@H]2CC[C@@H]1O2 D79703 [0,1,0,1,0,0|1,0,1]=4 94 B6R1.4 CC1OCC1O P16543 [1,0,0,0,1,0|1,0,1]=4 95 B6R1.4 C[C@@H]1OCC1=O P16003 [1,0,0,0,1,0|1,0,0]=3 96 B6R1.4 C[C@H]1CCC1=O W18267 [1,0,0,0,1,0|2,0,0]=4 97 B6R1.5 CC1CC(=O)C1 P12177 [1,0,0,0,1,0|2,0,0]=4 98 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [1,0,0,0,1,0|2,0,0]=4 99 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [1,0,0,0,0,1|1,0,1]=4 100 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C15026 [1,0,0,0,0,1|0,0,2]=4