0 B6R0.4 C[C@H](Cl)CCCO AC5969 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 O=C(O)\C=C\CF AT12709 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 O=C(O)\C=C\CO AT11505 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 CSCCCCl Y14621 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.2 N#CCCC=O F20778 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.3 CNC(=O)CCCO F10217 [0,1,0,0,0,0|2,0,0]=3 6 B7R0.3 COC(=O)\C=C\CN AT20735 [0,1,0,0,0,0|2,0,1]=4 7 B7R0.4 CC(=O)OCCCO Y14698 [0,1,0,0,0,0|0,0,0]=1 8 B7R0.4 NCCCOC(F)F 89965 [0,1,0,0,0,0|2,0,1]=4 9 B7R1.2 C[C@@H]1COC(=O)C1 64712 [0,0,0,1,0,0|0,0,0]=1 10 B7R1.2 C[C@@H]1COC(=O)C1 69011 [0,0,0,1,0,0|0,0,0]=1 11 B7R1.2 C[C@H]1CC[C@H](C)N1 D85954 [0,0,0,1,0,0|2,0,1]=4 12 B7R1.2 C[C@H]1CC[C@H](C)N1 P17787 [0,0,0,1,0,0|2,0,1]=4 13 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [0,0,0,1,0,0|3,0,0]=4 14 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [0,0,0,1,0,0|2,0,0]=3 15 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [0,0,0,1,0,0|2,0,1]=4 16 B7R1.10 O=C1C[C@H](CI)N1 W18669 [0,0,0,1,0,0|2,0,0]=3 17 B7R1.10 O=C1C[C@H](CO)N1 AT19035 [0,0,0,1,0,0|2,0,0]=3 18 B7R1.10 O=C1C[C@H](CO)N1 AT19036 [0,0,0,1,0,0|2,0,0]=3 19 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 55219 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P17920 [0,0,0,1,0,0|2,0,0]=3 21 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3132 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I D79124 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P14126 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.17 CC1(C)OC[C@@H]1N P17954 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.17 C[C@H]1CNS1(=O)=O AT12683 [0,0,0,1,0,0|3,0,0]=4 26 B7R1.18 C[C@H](N)C1CCC1 P15298 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.18 O=C(O)[C@@H]1CCO1 P18794 [0,0,0,1,0,0|3,0,0]=4 28 B7R1.18 O=C(O)[C@@H]1CCO1 P18795 [0,0,0,1,0,0|3,0,0]=4 29 B4R0.2 CNCCF AC6046 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.2 C[C@H](O)CN(C)C AT22519 [1,1,0,0,0,0|2,0,0]=4 31 B6R0.2 O=C(O)CC(F)F P18472 [1,1,0,0,0,0|2,0,0]=4 32 B6R0.3 C[C@@H](CN)C(=O)O 31999 [1,1,0,0,0,0|2,0,0]=4 33 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [0,2,0,0,0,0|2,0,0]=4 34 B8R0.19 CC[C@H](N)CC(=O)OC Y11154 [0,2,0,0,0,0|1,0,0]=3 35 B8R0.23 C=C(CC(C)C)C(=O)O W18790 [0,2,0,0,0,0|2,0,0]=4 36 B8R0.8 N[C@@H](CCCO)C(=O)O 51288 [0,2,0,0,0,0|2,0,0]=4 37 B8R0.7 NCCOCCC(=O)O C72750 [0,2,0,0,0,0|2,0,0]=4 38 B6R1.5 CC1CC(O)C1 P19103 [1,0,0,1,0,0|0,0,2]=4 39 B6R1.5 C[C@H]1C[C@H](C)N1 D79632 [1,0,0,1,0,0|1,0,1]=4 40 B6R1.5 C[C@H]1C[C@H](C)N1 D84904 [1,0,0,1,0,0|1,0,1]=4 41 B6R1.5 O=C1CC(F)C1 P13807 [1,0,0,1,0,0|1,0,0]=3 42 B6R1.4 N[C@H]1CNC1=O P11921 [1,0,0,1,0,0|2,0,0]=4 43 B6R1.6 NC[C@H]1CCO1 P21081 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.1 C#C[C@@H]1COC(=O)N1 68852 [0,1,0,1,0,0|1,0,1]=4 45 B8R1.1 C=C[C@@H]1COC(=O)C1 C12022 [0,1,0,1,0,0|0,0,1]=3 46 B8R1.1 C=C[C@@H]1COC(=O)N1 54688 [0,1,0,1,0,0|1,0,1]=4 47 B8R1.1 C=C[C@@H]1COC(=O)N1 54690 [0,1,0,1,0,0|1,0,1]=4 48 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [0,1,0,1,0,0|1,0,0]=3 49 B8R1.1 CN[C@@H]1CNC(=O)C1 P19248 [0,1,0,1,0,0|1,0,0]=3 50 B8R1.1 NC[C@@H]1CNC(=O)C1 38946 [0,1,0,1,0,0|1,0,0]=3 51 B8R1.1 NC[C@@H]1CNC(=O)C1 P14159 [0,1,0,1,0,0|1,0,0]=3 52 B8R1.1 O=C1C[C@H](CO)CO1 72726 [0,1,0,1,0,0|0,0,0]=2 53 B8R1.1 O=C1NC[C@H](CO)O1 P14223 [0,1,0,1,0,0|1,0,0]=3 54 B8R1.4 CC1=CCCC(=O)C1 D79894 [0,1,0,1,0,0|1,0,1]=4 55 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [0,1,0,1,0,0|1,0,0]=3 56 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [0,1,0,1,0,0|1,0,0]=3 57 B8R1.4 C[C@H]1COC[C@H](C)N1 F18925 [0,1,0,1,0,0|1,0,1]=4 58 B8R1.4 N[C@@H]1COCC(=O)C1 91465 [0,1,0,1,0,0|1,0,0]=3 59 B8R1.31 CC1CCC1C(=O)O D96793 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P16380 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.31 O=C(O)C1CCC1F P19066 [0,1,0,1,0,0|2,0,0]=4 62 B8R1.34 O=C(O)C[C@H]1CCO1 P19430 [0,1,0,1,0,0|2,0,0]=4 63 B8R1.43 O=C(O)C1CC1CF P19356 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.2 OC[C@H]1CCCCO1 92919 [0,1,0,1,0,0|0,0,2]=4 65 B8R1.2 OC[C@H]1CCCCO1 P13405 [0,1,0,1,0,0|0,0,2]=4 66 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [0,1,0,1,0,0|1,0,0]=3 67 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [0,1,0,1,0,0|1,0,0]=3 68 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C73501 [0,1,0,1,0,0|1,0,1]=4 69 B8R1.3 O=C1CCC(=O)NC1 65254 [0,1,0,1,0,0|1,0,1]=4 70 B8R1.3 O=C1CCS(=O)CC1 D86028 [0,1,0,1,0,0|2,0,0]=4 71 B8R1.5 [BH3-]C1=CCCC[C@@H]1C AC8574 [0,1,0,1,0,0|2,0,0]=4 72 B8R1.38 COC(=O)[C@@H]1CCO1 D96911 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.38 O=C(CCl)C1CCC1 P19145 [0,1,0,1,0,0|1,0,0]=3 74 B8R1.7 NC(=O)[C@H]1CCNC1 30954 [0,1,0,1,0,0|2,0,0]=4 75 B8R1.72 CP1(=O)CCNCC1 W19671 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.23 CC(=O)C1CC(O)C1 P17906 [0,1,0,1,0,0|1,0,0]=3 77 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 P20785 [0,1,0,1,0,0|2,0,0]=4 78 B8R1.23 C[C@H]1C[C@@H](C(=O)O)N1 D96843 [0,1,0,1,0,0|2,0,0]=4 79 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 P16657 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 P16826 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.78 O=C(O)C1(F)CCC1 85747 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.77 CC1(C)C[C@@H]1C(N)=O P18982 [0,1,0,1,0,0|2,0,0]=4 83 B8R2.4 O=C1CC2CC1C2 P20286 [0,0,0,2,0,0|1,0,0]=3 84 B8R2.18 O=C1CC2CC2N1 P20381 [0,0,0,2,0,0|1,0,0]=3 85 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97892 [0,0,0,2,0,0|1,0,0]=3 86 B8R2.38 O=C1NCC2CC12 AT10538 [0,0,0,2,0,0|1,0,0]=3