0 B6R0.2 C[C@H](O)CN(C)C AT22519 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 O=C(O)CC(F)F P18472 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 C=CC[C@H](C)N D84793 [1,0,0,0,0,0|2,0,0]=3 3 B5R0.1 CN(C)NC=O 20013 [1,0,0,0,0,0|2,0,0]=3 4 B5R0.1 C[C@H](N)CC#N 83614 [1,0,0,0,0,0|2,0,1]=4 5 B7R1.2 C[C@@H]1COC(=O)C1 64712 [0,0,0,1,0,0|0,0,0]=1 6 B7R1.2 C[C@@H]1COC(=O)C1 69011 [0,0,0,1,0,0|0,0,0]=1 7 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [0,0,0,1,0,0|2,0,1]=4 8 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [0,0,0,1,0,0|2,0,1]=4 9 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [0,0,0,1,0,0|2,0,1]=4 10 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [0,0,0,1,0,0|2,0,0]=3 12 B7R1.2 N[C@H]1CC[C@H](O)C1 31095 [0,0,0,1,0,0|2,0,1]=4 13 B7R1.2 N[C@H]1CC[C@H](O)C1 P11035 [0,0,0,1,0,0|2,0,1]=4 14 B7R1.2 N[C@H]1CC[C@H](O)C1 W10025 [0,0,0,1,0,0|2,0,1]=4 15 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [0,0,0,1,0,0|2,0,1]=4 16 B7R1.2 O[C@H]1CC[C@H](O)C1 P18410 [0,0,0,1,0,0|2,0,1]=4 17 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 55219 [0,0,0,1,0,0|0,0,0]=1 18 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P17920 [0,0,0,1,0,0|0,0,0]=1 19 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3132 [0,0,0,1,0,0|1,0,0]=2 20 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I D79124 [0,0,0,1,0,0|1,0,0]=2 21 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P14126 [0,0,0,1,0,0|1,0,0]=2 22 B7R1.16 CC1(O)CC(N)C1 P19045 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.16 C[C@]1(O)C[C@@H](N)C1 P13179 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.16 C[C@]1(O)C[C@H](N)C1 38619 [0,0,0,1,0,0|2,0,1]=4 25 B5R0.5 CC(N)C(C)O Y13729 [0,0,0,0,1,0|2,0,1]=4 26 B5R0.5 C[C@H](N)[C@H](C)O F16993 [0,0,0,0,1,0|2,0,1]=4 27 B7R0.6 O=C(O)COC(F)F 89985 [0,0,0,0,0,1|2,0,0]=3 28 B4R0.1 C=C[C@H](C)N N11431 [2,0,0,0,0,0|1,0,1]=4 29 B4R0.1 C[C@H](N)CF AC1331 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.3 C=C[C@H](N)C(=O)O F31036 [1,1,0,0,0,0|0,0,2]=4 31 B6R0.3 CC(C)[C@@H](N)CO Y13602 [1,1,0,0,0,0|0,0,1]=3 32 B6R0.3 C[C@@H](CN)C(=O)O 31999 [1,1,0,0,0,0|1,0,0]=3 33 B6R0.3 N[C@H](CS)S(=O)O D72263 [1,1,0,0,0,0|2,0,0]=4 34 B6R0.4 CC(C)NCC#N 78909 [1,1,0,0,0,0|1,0,1]=4 35 B6R0.4 C[C@H](Cl)CCCO AC5969 [1,1,0,0,0,0|1,0,1]=4 36 B6R0.4 O=C(O)\C=C\CF AT12709 [1,1,0,0,0,0|0,0,2]=4 37 B6R0.4 O=C(O)\C=C\CO AT11505 [1,1,0,0,0,0|0,0,2]=4 38 B6R0.5 CSCC(C)(C)N D76732 [1,1,0,0,0,0|2,0,0]=4 39 B6R0.5 C[N+](C)(C)CCO C16169 [1,1,0,0,0,0|1,0,1]=4 40 B8R0.9 C=C[C@@H](N)CCC(=O)O 20252 [0,1,0,0,0,1|1,0,1]=4 41 B8R0.9 C=C[C@@H](N)CCC(=O)O 33474 [0,1,0,0,0,1|1,0,1]=4 42 B8R0.9 C=C[C@@H](N)CCC(=O)O D87124 [0,1,0,0,0,1|1,0,1]=4 43 B8R0.23 C=C(CC(C)C)C(=O)O W18790 [0,1,0,0,0,1|0,0,0]=2 44 B8R0.23 N[C@@H](CC(F)F)C(=O)O AT19556 [0,1,0,0,0,1|2,0,0]=4 45 B8R0.29 CS(C)(=O)=NCC(=O)O C77465 [0,1,0,0,0,1|1,0,0]=3 46 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O F20773 [0,2,0,0,0,0|0,0,0]=2 47 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [0,2,0,0,0,0|1,0,0]=3 48 B8R0.19 CC[C@H](N)CC(=O)OC Y11154 [0,2,0,0,0,0|1,0,0]=3 49 B8R0.34 CC(C)(CN)CC(=O)O C11423 [0,2,0,0,0,0|0,0,0]=2 50 B8R0.27 CC(C)(F)[C@H](N)C(=O)O D79269 [0,2,0,0,0,0|0,0,0]=2 51 B8R0.18 CO[C@H](C(=O)O)C(C)C 96142 [0,2,0,0,0,0|0,0,0]=2 52 B6R1.5 CC1CC(O)C1 P19103 [1,0,0,1,0,0|0,0,1]=3 53 B6R1.5 O=C1CC(F)C1 P13807 [1,0,0,1,0,0|1,0,0]=3 54 B6R1.5 O[C@H]1C[C@H](O)C1 P20297 [1,0,0,1,0,0|1,0,1]=4 55 B6R1.8 C[C@@H]1C[C@@H]1CO 55221 [1,0,0,1,0,0|0,0,1]=3 56 B6R1.9 CC1(C)C[C@@H]1Br P17575 [1,0,0,1,0,0|1,0,1]=4 57 B6R1.4 N[C@H]1CNC1=O P11921 [0,0,0,1,1,0|2,0,0]=4 58 B8R1.3 C[C@@H]1CC[C@H](O)CN1 73248 [0,0,0,1,0,1|1,0,1]=4 59 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [0,0,0,1,0,1|1,0,0]=3 60 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [0,0,0,1,0,1|1,0,0]=3 61 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C73501 [0,0,0,1,0,1|1,0,1]=4 62 B8R1.23 CC(=O)C1CC(O)C1 P17906 [0,0,0,1,0,1|2,0,0]=4 63 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 P20785 [0,0,0,1,0,1|0,0,0]=2 64 B8R1.23 C[C@H]1C[C@@H](C(=O)O)N1 D96843 [0,0,0,1,0,1|0,0,0]=2 65 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 P16657 [0,0,0,1,0,1|1,0,0]=3 66 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 P16826 [0,0,0,1,0,1|1,0,0]=3 67 B8R1.51 CC1(C)C[C@H](O)CN1 P16596 [0,0,0,1,0,1|1,0,1]=4 68 B8R1.77 CC1(C)C[C@@H]1C(N)=O P18982 [0,0,0,1,0,1|1,0,0]=3 69 B8R1.1 C#C[C@@H]1COC(=O)N1 68852 [0,1,0,1,0,0|1,0,1]=4 70 B8R1.1 C=C[C@@H]1COC(=O)C1 C12022 [0,1,0,1,0,0|0,0,1]=3 71 B8R1.1 C=C[C@@H]1COC(=O)N1 54688 [0,1,0,1,0,0|1,0,1]=4 72 B8R1.1 C=C[C@@H]1COC(=O)N1 54690 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.1 CC1CCC(CO)C1 72724 [0,1,0,1,0,0|1,0,1]=4 74 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [0,1,0,1,0,0|1,0,0]=3 75 B8R1.1 CN[C@@H]1CNC(=O)C1 P19248 [0,1,0,1,0,0|1,0,0]=3 76 B8R1.1 C[C@H]1CN[C@@H](CO)C1 87742 [0,1,0,1,0,0|1,0,1]=4 77 B8R1.1 NC[C@@H]1CNC(=O)C1 38946 [0,1,0,1,0,0|1,0,0]=3 78 B8R1.1 NC[C@@H]1CNC(=O)C1 P14159 [0,1,0,1,0,0|1,0,0]=3 79 B8R1.1 O=C1C[C@H](CO)CO1 72726 [0,1,0,1,0,0|0,0,0]=2 80 B8R1.1 O=C1NC[C@H](CO)O1 P14223 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.4 CC1=CCCC(=O)C1 D79894 [0,1,0,1,0,0|1,0,1]=4 82 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [0,1,0,1,0,0|1,0,0]=3 83 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38753 [0,1,0,1,0,0|1,0,1]=4 85 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38754 [0,1,0,1,0,0|1,0,1]=4 86 B8R1.4 N[C@@H]1COCC(=O)C1 91465 [0,1,0,1,0,0|1,0,0]=3 87 B8R1.31 CC(C)C1OCC1N P18436 [0,1,0,1,0,0|1,0,1]=4 88 B8R1.31 CC1CCC1C(=O)O D96793 [0,1,0,1,0,0|0,0,0]=2 89 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P16380 [0,1,0,1,0,0|1,0,0]=3 90 B8R1.31 O=C(O)C1CCC1F P19066 [0,1,0,1,0,0|1,0,0]=3 91 B8R1.34 O=C(O)C[C@H]1CCO1 P19430 [0,1,0,1,0,0|0,0,0]=2 92 B8R1.40 N[C@H](CO)CC1CC1 Y14036 [0,1,0,1,0,0|1,0,1]=4 93 B8R1.43 O=C(O)C1CC1CF P19356 [0,1,0,1,0,0|0,0,0]=2 94 B8R1.53 CC1(C)C[C@H](CN)O1 CS2412 [0,1,0,1,0,0|1,0,1]=4 95 B8R1.53 CC1(O)CC(CN)C1 P18525 [0,1,0,1,0,0|1,0,1]=4 96 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 P13515 [0,1,0,1,0,0|1,0,1]=4 97 B8R1.53 C[C@]1(O)C[C@H](CN)C1 P18526 [0,1,0,1,0,0|1,0,1]=4 98 B8R1.73 CC1(N)CS(=O)(=O)C1 P15013 [0,1,0,1,0,0|1,0,1]=4 99 B8R2.4 O=C1CC2CC1C2 P20286 [0,0,0,2,0,0|1,0,0]=3 100 B8R2.18 O=C1CC2CC2N1 P20381 [0,0,0,2,0,0|1,0,0]=3 101 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97892 [0,0,0,2,0,0|1,0,0]=3 102 B8R2.38 O=C1NCC2CC12 AT10538 [0,0,0,2,0,0|1,0,0]=3 103 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D96571 [0,0,0,2,0,0|1,0,1]=4 104 B8R2.53 OC1CC2(CC2)C1 D95196 [0,0,0,2,0,0|1,0,1]=4