0 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [0,1,0,0,0,0|1,0,1]=3 1 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [0,1,0,0,0,0|1,0,1]=3 2 B8R1.3 O=C1C=CC(Br)=CO1 D86222 [0,1,0,0,0,0|1,0,2]=4 3 B8R1.3 O=C1CCC(=O)NC1 65254 [0,1,0,0,0,0|1,0,2]=4 4 B8R1.3 O=C1CCS(=O)CC1 D86028 [0,1,0,0,0,0|1,0,2]=4 5 B8R1.4 CC1=CCCC(=O)C1 D79894 [0,1,0,0,0,0|0,0,2]=3 6 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [0,1,0,0,0,0|1,0,2]=4 7 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [0,1,0,0,0,0|1,0,1]=3 8 B8R1.4 NC1=CC(=O)NN=C1 20219 [0,1,0,0,0,0|2,0,1]=4 9 B8R1.4 N[C@@H]1COCC(=O)C1 91465 [0,1,0,0,0,0|1,0,1]=3 10 B8R1.4 O=C1C=COC(=O)C1 A11284 [0,1,0,0,0,0|1,0,1]=3 11 B8R1.4 O[C@@H]1C=C(Br)COC1 P19693 [0,1,0,0,0,0|1,0,2]=4 12 B8R1.5 NC1=CC=NNC1=O 36341 [0,1,0,0,0,0|2,0,1]=4 13 B8R1.5 [BH3-]C1=CCCC[C@@H]1C AC8574 [0,1,0,0,0,0|1,0,1]=3 14 B6R0.4 O=C(O)\C=C\CF AT12709 [0,0,1,0,0,0|2,0,0]=3 15 B6R0.4 O=C(O)\C=C\CO AT11505 [0,0,1,0,0,0|2,0,0]=3 16 B8R2.18 O=C1CC2CC2N1 P20381 [0,0,0,1,0,0|1,0,1]=3 17 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97892 [0,0,0,1,0,0|0,0,2]=3 18 B8R2.38 O=C1NCC2CC12 AT10538 [0,0,0,1,0,0|1,0,1]=3 19 B6R1.2 BrC1=CC=NO1 A51037 [0,0,0,0,1,0|3,0,0]=4 20 B6R1.2 FC1=CSC=C1 T72274 [0,0,0,0,1,0|2,0,1]=4 21 B6R1.2 O=C1NN=CO1 D96956 [0,0,0,0,1,0|3,0,0]=4 22 B5R0.2 N#CCCC=O F20778 [1,0,1,0,0,0|1,0,1]=4 23 B5R0.3 C=C[C@@H](N)CC 68012 [1,0,1,0,0,0|1,0,1]=4 24 B7R0.3 CNC(=O)CCCO F10217 [0,1,1,0,0,0|1,0,1]=4 25 B7R0.3 COC(=O)\C=C\CN AT20735 [0,1,1,0,0,0|1,0,0]=3 26 B7R0.10 C=C(OC)C(=O)OC 78623 [0,1,1,0,0,0|2,0,0]=4 27 B7R0.4 CC(=O)OCCCO Y14698 [0,1,1,0,0,0|1,0,1]=4 28 B7R1.1 OC[C@@H]1C=CCC1 74782 [0,1,0,0,1,0|0,0,2]=4 29 B7R1.2 C[C@@H]1COC(=O)C1 64712 [0,1,0,0,1,0|1,0,0]=3 30 B7R1.2 C[C@@H]1COC(=O)C1 69011 [0,1,0,0,1,0|1,0,0]=3 31 B7R1.2 NC1=NCC(=O)S1 C13281 [0,1,0,0,1,0|2,0,0]=4 32 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [0,1,0,0,1,0|1,0,0]=3 33 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [0,1,0,0,1,0|1,0,0]=3 34 B7R1.2 O=C1C=C[C@@H](O)C1 86273 [0,1,0,0,1,0|0,0,0]=2 35 B7R1.4 CN1CC=CC1=O N13365 [0,1,0,0,1,0|1,0,0]=3 36 B7R1.4 C[C@H]1CCNC1=O D72754 [0,1,0,0,1,0|1,0,0]=3 37 B9R1.5 C[C@@H]1NCCCNC1=O Y14885 [0,1,0,0,0,1|1,0,1]=4 38 B9R1.5 C[C@H]1CNCCCC1=O 73108 [0,1,0,0,0,1|0,0,2]=4 39 B9R1.5 N[C@H]1COCCNC1=O 58513 [0,1,0,0,0,1|1,0,1]=4 40 B9R1.5 O=C1CCCNC[C@@H]1F 72716 [0,1,0,0,0,1|0,0,2]=4 41 B9R1.5 O=C1CCNCC[C@@H]1F 73001 [0,1,0,0,0,1|0,0,2]=4 42 B9R1.49 N[C@H]1CCCC(=O)NC1 F19780 [0,1,0,0,0,1|0,0,2]=4 43 B9R1.2 CC[C@H]1CCCC(=O)N1 D96357 [0,2,0,0,0,0|1,0,1]=4 44 B9R1.15 CN[C@H]1CCCCC1=O 79572 [0,2,0,0,0,0|0,0,2]=4 45 B9R1.69 CN1C[C@@H](N)CCC1=O AT26867 [0,2,0,0,0,0|1,0,1]=4 46 B9R1.69 N[C@H]1CCC(=O)NC1=O F12719 [0,2,0,0,0,0|1,0,0]=3 47 B9R1.69 O=C1NC[C@H](F)C(=O)N1 F15142 [0,2,0,0,0,0|2,0,0]=4 48 B9R1.3 CN1CCC[C@H](N)C1=O Y10111 [0,2,0,0,0,0|1,0,1]=4 49 B9R1.3 O=C1CCCC(O)=C1I P17172 [0,2,0,0,0,0|0,0,0]=2 50 B9R1.40 CC1(C)COC=CC1=O Y13541 [0,2,0,0,0,0|1,0,0]=3 51 B9R1.40 [BH3-]C1=CCCCC1(C)C AC8579 [0,2,0,0,0,0|1,0,1]=4 52 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 55219 [0,0,1,1,0,0|1,0,1]=4 53 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P17920 [0,0,1,1,0,0|1,0,1]=4 54 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3132 [0,0,1,1,0,0|2,0,0]=4 55 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I D79124 [0,0,1,1,0,0|2,0,0]=4 56 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P14126 [0,0,1,1,0,0|2,0,0]=4 57 B7R1.18 O=C(O)[C@@H]1CCO1 P18794 [0,0,1,1,0,0|2,0,0]=4 58 B7R1.18 O=C(O)[C@@H]1CCO1 P18795 [0,0,1,1,0,0|2,0,0]=4 59 B9R2.7 O=C1NC2CCCC12 D70003 [0,0,0,1,0,1|0,0,2]=4 60 B9R2.19 O=C1NCC2CC1C2 86845 [0,1,0,1,0,0|1,0,1]=4 61 B9R2.8 O=C1CC2CC(C1)C2 P20287 [0,1,0,1,0,0|0,0,2]=4