0 B6R1.2 BrC1=CC=NO1 A51037 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 CN1CCNC1 AC8535 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 Cl[C@H]1CCNC1 W15837 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 O=C1NN=CO1 D96956 [0,0,0,0,0,0|2,0,1]=3 4 B5R1.1 C1=NN=CO1 F13208 [1,0,0,0,0,0|2,0,1]=4 5 B7R1.1 C#C[C@@H]1CCCN1 86321 [0,1,0,0,0,0|2,0,1]=4 6 B7R1.1 C#C[C@@H]1CCCN1 C90741 [0,1,0,0,0,0|2,0,1]=4 7 B7R1.1 CC[C@H]1CCCN1 Y11636 [0,1,0,0,0,0|2,0,1]=4 8 B7R1.2 C[C@@H]1COC(=O)C1 64712 [0,1,0,0,0,0|0,0,0]=1 9 B7R1.2 C[C@@H]1COC(=O)C1 69011 [0,1,0,0,0,0|0,0,0]=1 10 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [0,1,0,0,0,0|2,0,1]=4 11 B7R1.2 C[C@H]1CC[C@H](C)N1 D85954 [0,1,0,0,0,0|2,0,1]=4 12 B7R1.2 C[C@H]1CC[C@H](C)N1 P17787 [0,1,0,0,0,0|2,0,1]=4 13 B7R1.2 C[C@H]1C[C@H](F)CN1 W10043 [0,1,0,0,0,0|2,0,1]=4 14 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [0,1,0,0,0,0|2,0,1]=4 15 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [0,1,0,0,0,0|2,0,1]=4 16 B7R1.2 NC1=NCC(=O)S1 C13281 [0,1,0,0,0,0|1,1,1]=4 17 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [0,1,0,0,0,0|1,0,0]=2 18 B7R1.2 N[C@@H]1CC[C@H](F)C1 73246 [0,1,0,0,0,0|2,0,1]=4 19 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [0,1,0,0,0,0|1,0,0]=2 20 B7R1.2 N[C@H]1CC[C@@H](N)C1 C75982 [0,1,0,0,0,0|2,0,1]=4 21 B7R1.2 N[C@H]1CC[C@@H](N)C1 D78669 [0,1,0,0,0,0|2,0,1]=4 22 B7R1.2 N[C@H]1CC[C@H](N)C1 D96861 [0,1,0,0,0,0|2,0,1]=4 23 B7R1.2 N[C@H]1CC[C@H](O)C1 31095 [0,1,0,0,0,0|1,0,2]=4 24 B7R1.2 N[C@H]1CC[C@H](O)C1 P11035 [0,1,0,0,0,0|1,0,2]=4 25 B7R1.2 N[C@H]1CC[C@H](O)C1 W10025 [0,1,0,0,0,0|1,0,2]=4 26 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [0,1,0,0,0,0|1,0,1]=3 27 B7R1.2 O[C@H]1CC[C@H](O)C1 P18410 [0,1,0,0,0,0|1,0,2]=4 28 B7R1.4 BrC1CCCC1Br D96921 [0,1,0,0,0,0|2,0,1]=4 29 B7R1.4 CN1CC=CC1=O N13365 [0,1,0,0,0,0|1,0,2]=4 30 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [0,1,0,0,0,0|2,0,1]=4 31 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [0,1,0,0,0,0|1,0,1]=3 32 B7R1.4 C[C@H]1CCNC1=O D72754 [0,1,0,0,0,0|1,0,0]=2 33 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [0,1,0,0,0,0|2,0,1]=4 34 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [0,1,0,0,0,0|2,0,1]=4 35 B7R1.4 N[C@H]1CCC[C@@H]1F P18723 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.2 CSCCCCl Y14621 [0,0,1,0,0,0|3,0,0]=4 37 B5R0.2 N#CCCC=O F20778 [0,0,1,0,0,0|1,0,1]=3 38 B6R0.2 O=C(O)CC(F)F P18472 [0,1,1,0,0,0|1,0,0]=3 39 B6R0.3 C=C[C@H](N)C(=O)O F31036 [0,1,1,0,0,0|0,0,2]=4 40 B6R0.3 C[C@@H](CN)C(=O)O 31999 [0,1,1,0,0,0|1,0,0]=3 41 B6R0.3 N[C@H](CS)S(=O)O D72263 [0,1,1,0,0,0|2,0,0]=4 42 B6R0.4 O=C(O)\C=C\CF AT12709 [0,1,1,0,0,0|0,0,2]=4 43 B6R0.4 O=C(O)\C=C\CO AT11505 [0,1,1,0,0,0|0,0,2]=4 44 B6R0.9 C\C=C(\C=O)CC AC9866 [0,1,1,0,0,0|1,0,0]=3 45 B6R1.4 N[C@H]1CC[C@@H]1O D72719 [0,1,0,0,1,0|0,0,2]=4 46 B6R1.4 N[C@H]1CC[C@@H]1O P20951 [0,1,0,0,1,0|0,0,2]=4 47 B6R1.4 N[C@H]1CC[C@@H]1O P20952 [0,1,0,0,1,0|0,0,2]=4 48 B6R1.4 N[C@H]1CNC1=O P11921 [0,1,0,0,1,0|1,0,0]=3 49 B6R1.4 O[C@H]1CC[C@H]1O AT10951 [0,1,0,0,1,0|0,0,2]=4 50 B6R1.5 CC1CC(O)C1 P19103 [0,1,0,0,1,0|0,0,2]=4 51 B6R1.5 N[C@H]1C[C@H](F)C1 P16381 [0,1,0,0,1,0|1,0,1]=4 52 B6R1.5 N[C@H]1C[C@H](N)C1 38581 [0,1,0,0,1,0|1,0,1]=4 53 B6R1.5 O=C1CC(F)C1 P13807 [0,1,0,0,1,0|0,0,0]=2 54 B6R1.5 O[C@H]1C[C@H](O)C1 P20297 [0,1,0,0,1,0|0,0,2]=4 55 B6R1.6 C#CC1CCC1 P19139 [0,1,0,0,1,0|1,0,1]=4 56 B6R1.6 NC[C@H]1CCO1 P21081 [0,1,0,0,1,0|1,0,1]=4 57 B8R1.2 C#C[C@H]1CCCOC1 P12240 [0,1,0,0,0,1|1,0,1]=4 58 B8R1.2 CN[C@H]1CCCOC1 D96690 [0,1,0,0,0,1|1,0,1]=4 59 B8R1.2 NC[C@H]1CCCOC1 P15860 [0,1,0,0,0,1|1,0,1]=4 60 B8R1.2 NC[C@H]1CCCOC1 P15862 [0,1,0,0,0,1|1,0,1]=4 61 B8R1.2 OC[C@H]1CCCCO1 92919 [0,1,0,0,0,1|0,0,2]=4 62 B8R1.2 OC[C@H]1CCCCO1 P13405 [0,1,0,0,0,1|0,0,2]=4 63 B8R1.2 OC[C@H]1CCCOC1 P13406 [0,1,0,0,0,1|0,0,2]=4 64 B8R1.2 OC[C@H]1CCCOC1 P13407 [0,1,0,0,0,1|0,0,2]=4 65 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [0,1,0,0,0,1|1,0,0]=3 66 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [0,1,0,0,0,1|1,0,0]=3 67 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C73501 [0,1,0,0,0,1|1,0,1]=4 68 B8R1.3 O=C1CCC(=O)NC1 65254 [0,1,0,0,0,1|1,0,0]=3 69 B8R1.3 O=C1CCS(=O)CC1 D86028 [0,1,0,0,0,1|1,0,0]=3 70 B8R1.4 CC1=CCCC(=O)C1 D79894 [0,1,0,0,0,1|1,0,1]=4 71 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [0,1,0,0,0,1|1,0,0]=3 72 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [0,1,0,0,0,1|1,0,0]=3 73 B8R1.4 N[C@@H]1COCC(=O)C1 91465 [0,1,0,0,0,1|0,0,0]=2 74 B8R1.4 O=C1C=COC(=O)C1 A11284 [0,1,0,0,0,1|0,0,2]=4 75 B8R1.4 O[C@@H]1C=C(Br)COC1 P19693 [0,1,0,0,0,1|1,0,1]=4 76 B8R1.5 C[C@H]1COCC[C@@H]1N 38673 [0,1,0,0,0,1|1,0,1]=4 77 B8R1.5 C[C@H]1COCC[C@@H]1N P17478 [0,1,0,0,0,1|1,0,1]=4 78 B8R1.5 N[C@@H]1CCOC[C@@H]1F P17093 [0,1,0,0,0,1|1,0,1]=4 79 B8R1.5 N[C@@H]1CCOC[C@@H]1F P17094 [0,1,0,0,0,1|1,0,1]=4 80 B8R1.5 N[C@@H]1CCOC[C@@H]1O 38663 [0,1,0,0,0,1|0,0,2]=4 81 B8R1.5 N[C@@H]1CCOC[C@@H]1O P15155 [0,1,0,0,0,1|0,0,2]=4 82 B8R1.5 N[C@@H]1COCC[C@@H]1O P16446 [0,1,0,0,0,1|1,0,1]=4 83 B8R1.5 N[C@@H]1COCC[C@@H]1O P21118 [0,1,0,0,0,1|1,0,1]=4 84 B8R1.5 N[C@@H]1COCC[C@@H]1O P21119 [0,1,0,0,0,1|1,0,1]=4 85 B8R1.5 N[C@H]1CCOC[C@@H]1F P14626 [0,1,0,0,0,1|1,0,1]=4 86 B8R1.5 O[C@@H]1CCOC[C@@H]1F P16658 [0,1,0,0,0,1|1,0,1]=4 87 B8R1.5 O[C@H]1CCOC[C@@H]1F P17909 [0,1,0,0,0,1|1,0,1]=4 88 B8R1.5 [BH3-]C1=CCCC[C@@H]1C AC8574 [0,1,0,0,0,1|2,0,0]=4 89 B8R1.72 CP1(=O)CCNCC1 W19671 [0,1,0,0,0,1|2,0,0]=4 90 B8R1.1 C#C[C@@H]1COC(=O)N1 68852 [0,2,0,0,0,0|1,0,0]=3 91 B8R1.1 C=C[C@@H]1COC(=O)C1 C12022 [0,2,0,0,0,0|0,0,0]=2 92 B8R1.1 C=C[C@@H]1COC(=O)N1 54688 [0,2,0,0,0,0|1,0,0]=3 93 B8R1.1 C=C[C@@H]1COC(=O)N1 54690 [0,2,0,0,0,0|1,0,0]=3 94 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [0,2,0,0,0,0|1,0,0]=3 95 B8R1.1 CN[C@@H]1CNC(=O)C1 P19248 [0,2,0,0,0,0|1,0,0]=3 96 B8R1.1 NC[C@@H]1CNC(=O)C1 38946 [0,2,0,0,0,0|1,0,0]=3 97 B8R1.1 NC[C@@H]1CNC(=O)C1 P14159 [0,2,0,0,0,0|1,0,0]=3 98 B8R1.1 O=C1C[C@H](CO)CO1 72726 [0,2,0,0,0,0|0,0,0]=2 99 B8R1.1 O=C1NC[C@H](CO)O1 P14223 [0,2,0,0,0,0|1,0,0]=3 100 B8R1.11 C[C@@H]1OCC[C@@H]1CO 73087 [0,2,0,0,0,0|1,0,1]=4 101 B8R1.51 N[C@H]1CCS(=O)(=O)C1 C12957 [0,2,0,0,0,0|2,0,0]=4 102 B8R1.19 O=C1NCCC1(F)F 90055 [0,2,0,0,0,0|1,0,0]=3 103 B8R2.18 O=C1CC2CC2N1 P20381 [0,0,0,1,0,1|1,0,0]=3 104 B8R2.23 C1NCC2CC1O2 W19453 [0,0,0,1,0,1|1,0,1]=4 105 B8R2.23 C1OCC2CC1N2 P16049 [0,0,0,1,0,1|1,0,1]=4 106 B8R2.25 C1COC2CC2N1 C72423 [0,0,0,1,0,1|1,0,1]=4 107 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97892 [0,0,0,1,0,1|1,0,0]=3 108 B8R2.38 O=C1NCC2CC12 AT10538 [0,0,0,1,0,1|1,0,0]=3 109 B8R2.4 O=C1CC2CC1C2 P20286 [0,1,0,1,0,0|1,0,0]=3 110 B8R1.22 N[C@H]1CCCOCC1 33401 [0,0,0,0,0,2|1,0,1]=4