0 B6R0.1 CC[C@H](N)CC#N Y13628 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C=CC[C@H](C)N D84793 [1,0,0,0,0,0|2,0,0]=3 2 B5R0.1 CN(C)NC=O 20013 [1,0,0,0,0,0|2,0,0]=3 3 B5R0.1 C[C@H](N)CC#N 83614 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.2 CSCCCCl Y14621 [1,0,0,0,0,0|1,0,1]=3 5 B5R0.2 N#CCCC=O F20778 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.3 C=C[C@@H](N)CC 68012 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.11 CCC(C)(C)CC=O Y14611 [0,1,0,0,0,0|1,0,0]=2 8 B7R1.1 CC[C@H]1CCNC1 P14868 [0,0,0,1,0,0|2,0,1]=4 9 B7R1.2 C[C@@H]1COC(=O)C1 64712 [0,0,0,1,0,0|2,0,0]=3 10 B7R1.2 C[C@@H]1COC(=O)C1 69011 [0,0,0,1,0,0|2,0,0]=3 11 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [0,0,0,1,0,0|1,0,2]=4 12 B7R1.2 C[C@H]1C[C@H](F)CN1 W10043 [0,0,0,1,0,0|2,0,1]=4 13 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [0,0,0,1,0,0|1,0,2]=4 14 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [0,0,0,1,0,0|1,0,2]=4 15 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [0,0,0,1,0,0|3,0,0]=4 16 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [0,0,0,1,0,0|2,0,1]=4 18 B7R1.6 BrCC[C@H]1CCO1 D79156 [0,0,0,1,0,0|1,1,1]=4 19 B7R1.6 ICC[C@H]1CCO1 D79155 [0,0,0,1,0,0|1,1,1]=4 20 B7R1.6 NCC[C@H]1CCO1 D79157 [0,0,0,1,0,0|1,1,1]=4 21 B7R1.6 NCC[C@H]1CCO1 P17247 [0,0,0,1,0,0|1,1,1]=4 22 B7R1.6 OCC[C@H]1CCO1 D84844 [0,0,0,1,0,0|0,1,2]=4 23 B7R1.6 OCC[C@H]1CCO1 P19429 [0,0,0,1,0,0|0,1,2]=4 24 B7R1.10 CO[C@H]1C[C@@H](O)C1 W15861 [0,0,0,1,0,0|0,1,2]=4 25 B7R1.10 CO[C@H]1C[C@H](O)C1 C77446 [0,0,0,1,0,0|0,1,2]=4 26 B7R1.10 O=C1C[C@H](CI)N1 W18669 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.10 O=C1C[C@H](CO)N1 AT19035 [0,0,0,1,0,0|3,0,0]=4 28 B7R1.10 O=C1C[C@H](CO)N1 AT19036 [0,0,0,1,0,0|3,0,0]=4 29 B4R0.1 C=C[C@H](C)N N11431 [2,0,0,0,0,0|1,0,1]=4 30 B4R0.1 C[C@H](N)CF AC1331 [2,0,0,0,0,0|2,0,0]=4 31 B4R0.2 CNCCF AC6046 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.2 O=C(O)CC(F)F P18472 [1,1,0,0,0,0|2,0,0]=4 33 B6R0.3 CC(C)[C@@H](N)CO Y13602 [1,1,0,0,0,0|0,0,2]=4 34 B6R0.4 CC(C)NCC#N 78909 [1,1,0,0,0,0|1,0,1]=4 35 B6R0.5 CSCC(C)(C)N D76732 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.9 C\C=C(\C=O)CC AC9866 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O F20773 [0,2,0,0,0,0|0,1,0]=3 38 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [0,2,0,0,0,0|2,0,0]=4 39 B8R0.19 CC[C@H](N)CC(=O)OC Y11154 [0,2,0,0,0,0|2,0,0]=4 40 B8R0.34 CC(C)(CN)CC(=O)O C11423 [0,2,0,0,0,0|2,0,0]=4 41 B8R0.12 C=CC[C@](C)(O)C(C)C 78825 [0,2,0,0,0,0|2,0,0]=4 42 B6R1.5 CC1CC(O)C1 P19103 [1,0,0,1,0,0|0,0,2]=4 43 B6R1.5 O=C1CC(F)C1 P13807 [1,0,0,1,0,0|1,0,0]=3 44 B6R1.8 C[C@@H]1C[C@@H]1CO 55221 [1,0,0,1,0,0|0,0,2]=4 45 B6R1.9 CC1(C)C[C@@H]1Br P17575 [1,0,0,1,0,0|1,0,1]=4 46 B6R1.6 NCC1CSC1 39006 [1,0,0,1,0,0|1,0,1]=4 47 B6R1.7 CC1(CBr)CC1 D96531 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.1 C=C[C@@H]1COC(=O)C1 C12022 [0,1,0,1,0,0|1,0,1]=4 49 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [0,1,0,1,0,0|2,0,0]=4 50 B8R1.1 CN[C@@H]1CNC(=O)C1 P19248 [0,1,0,1,0,0|1,0,0]=3 51 B8R1.1 NC[C@@H]1CNC(=O)C1 38946 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.1 NC[C@@H]1CNC(=O)C1 P14159 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.1 O=C1C[C@H](CO)CO1 72726 [0,1,0,1,0,0|2,0,0]=4 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|0,1,0]=3 56 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [0,1,0,1,0,0|2,0,0]=4 57 B8R1.4 N[C@@H]1COCC(=O)C1 91465 [0,1,0,1,0,0|1,1,0]=4 58 B8R1.31 CC1CCC1C(=O)O D96793 [0,1,0,1,0,0|1,0,0]=3 59 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P16380 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.31 O=C(O)C1CCC1F P19066 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.34 O=C(O)C[C@H]1CCO1 P19430 [0,1,0,1,0,0|0,1,0]=3 62 B8R1.43 O=C(O)C1CC1CF P19356 [0,1,0,1,0,0|2,0,0]=4 63 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [0,1,0,1,0,0|1,0,0]=3 64 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [0,1,0,1,0,0|1,0,0]=3 65 B8R1.58 C[C@]1(C#N)CCC1=O 98577 [0,1,0,1,0,0|2,0,0]=4 66 B8R1.8 C=CC[C@H]1CCCN1 Y11188 [0,1,0,1,0,0|2,0,0]=4 67 B8R2.4 O=C1CC2CC1C2 P20286 [0,0,0,2,0,0|1,0,0]=3 68 B8R2.18 O=C1CC2CC2N1 P20381 [0,0,0,2,0,0|2,0,0]=4 69 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97892 [0,0,0,2,0,0|1,0,0]=3 70 B8R2.38 O=C1NCC2CC12 AT10538 [0,0,0,2,0,0|2,0,0]=4 71 B8R2.42 C1CC2(CNC2)S1 P18246 [0,0,0,2,0,0|2,0,0]=4