0 B6R0.4 CC(C)NCC#N 78909 [1,0,0,0,0,0|2,0,1]=4 1 B6R0.4 C[C@H](Cl)CCCO AC5969 [1,0,0,0,0,0|1,0,2]=4 2 B8R1.1 CC1CCC(CO)C1 72724 [0,0,0,1,0,0|1,0,2]=4 3 B8R1.4 CC1=CCCC(=O)C1 D79894 [0,0,0,1,0,0|1,0,2]=4 4 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [0,0,0,1,0,0|2,0,0]=3 5 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [0,0,0,1,0,0|2,0,0]=3 6 B8R1.4 N[C@@H]1COCC(=O)C1 91465 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.7 CC(C)[C@H]1CCNC1 P17773 [0,0,0,1,0,0|2,0,1]=4 8 B8R1.19 O=C1NCCC1(F)F 90055 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.22 C[C@H]1CCOCCN1 C90344 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.22 N[C@H]1CCCOCC1 33401 [0,0,0,1,0,0|2,0,1]=4 11 B5R0.1 C=CC[C@H](C)N D84793 [2,0,0,0,0,0|1,0,1]=4 12 B5R0.1 CN(C)NC=O 20013 [2,0,0,0,0,0|2,0,0]=4 13 B5R0.2 N#CCCC=O F20778 [2,0,0,0,0,0|1,0,1]=4 14 B7R0.5 CC(C)[C@@H](N)CC#N Y14204 [1,1,0,0,0,0|1,0,1]=4 15 B7R0.8 C#CCCC(C)(C)O D79338 [1,1,0,0,0,0|1,0,1]=4 16 B7R0.8 CC(C)(N)CCC#N 79588 [1,1,0,0,0,0|1,0,1]=4 17 B9R0.53 CC(C)C[C@H](O)CC(=O)O D96477 [0,2,0,0,0,0|1,0,0]=3 18 B7R1.2 C[C@@H]1COC(=O)C1 64712 [1,0,0,1,0,0|0,0,0]=2 19 B7R1.2 C[C@@H]1COC(=O)C1 69011 [1,0,0,1,0,0|0,0,0]=2 20 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [1,0,0,1,0,0|2,0,0]=4 21 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [1,0,0,1,0,0|2,0,0]=4 22 B7R1.10 CO[C@H]1C[C@@H](O)C1 W15861 [1,0,0,1,0,0|1,0,1]=4 23 B7R1.10 CO[C@H]1C[C@H](O)C1 C77446 [1,0,0,1,0,0|1,0,1]=4 24 B7R1.17 CC1(C)CC[C@@H]1O P17222 [1,0,0,1,0,0|0,0,2]=4 25 B7R1.18 C[C@H](N)C1COC1 79835 [1,0,0,1,0,0|1,0,1]=4 26 B7R1.18 C[C@H](N)C1COC1 79836 [1,0,0,1,0,0|1,0,1]=4 27 B7R1.18 C[C@H](N)C1COC1 83718 [1,0,0,1,0,0|1,0,1]=4 28 B7R1.18 C[C@H](O)C1COC1 AT20599 [1,0,0,1,0,0|1,0,1]=4 29 B7R1.18 C[C@H](O)C1COC1 AT20601 [1,0,0,1,0,0|1,0,1]=4 30 B7R1.4 C[C@H]1CCNC1=O D72754 [1,0,0,1,0,0|1,0,0]=3 31 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 P12608 [0,1,0,1,0,0|2,0,0]=4 32 B9R1.136 O=CCC1CC(F)(F)C1 P14024 [0,1,0,1,0,0|2,0,0]=4 33 B9R1.136 O=CNC1CC(F)(F)C1 C13012 [0,1,0,1,0,0|2,0,0]=4 34 B9R1.1 CN1CCC(C=O)CC1 23787 [0,1,0,1,0,0|2,0,0]=4 35 B9R1.2 CC[C@H]1CCCC(=O)N1 D96357 [0,1,0,1,0,0|2,0,0]=4 36 B9R1.49 N[C@H]1CCCC(=O)NC1 F19780 [0,1,0,1,0,0|2,0,0]=4 37 B9R1.40 CC1(C)COC=CC1=O Y13541 [0,1,0,1,0,0|1,0,1]=4 38 B9R1.40 [BH3-]C1=CCCCC1(C)C AC8579 [0,1,0,1,0,0|2,0,0]=4 39 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17548 [0,1,0,1,0,0|2,0,0]=4 40 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 H11003 [0,1,0,1,0,0|2,0,0]=4 41 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 D97082 [0,1,0,1,0,0|2,0,0]=4 42 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 P19451 [0,1,0,1,0,0|2,0,0]=4 43 B9R1.35 O=C1N[C@H](C(F)F)CO1 P18079 [0,1,0,1,0,0|2,0,0]=4 44 B9R1.35 O=C1N[C@H](C(F)F)CO1 P18843 [0,1,0,1,0,0|2,0,0]=4 45 B9R1.106 CC1(C)C(=O)NC[C@@H]1N P17639 [0,1,0,1,0,0|1,0,0]=3 46 B9R1.166 CC1(C)CC[C@@H]1C(=O)O W15641 [0,1,0,1,0,0|1,0,0]=3 47 B9R1.166 CC1(C)CN[C@@H]1C(=O)O D79163 [0,1,0,1,0,0|2,0,0]=4 48 B9R2.8 O=C1CC2CC(C1)C2 P20287 [0,0,0,2,0,0|1,0,0]=3