0 B8R1.1 C#C[C@@H]1COC(=O)N1 68852 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.1 C=C[C@@H]1COC(=O)C1 C12022 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.1 C=C[C@@H]1COC(=O)N1 54688 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.1 C=C[C@@H]1COC(=O)N1 54690 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.1 CC1CCC(CO)C1 72724 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.1 CN[C@@H]1CNC(=O)C1 P19248 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.1 NC[C@@H]1CNC(=O)C1 38946 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.1 NC[C@@H]1CNC(=O)C1 P14159 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.1 O=C1C[C@H](CO)CO1 72726 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.1 O=C1NC[C@H](CO)O1 P14223 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.1 CC[C@H]1CCCN1 Y11636 [1,0,0,0,0,0|1,0,1]=3 12 B7R1.1 CC[C@H]1CCNC1 P14868 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.1 FC[C@H]1CCNC1 P18732 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.1 OC[C@@H]1C=CCC1 74782 [1,0,0,0,0,0|2,0,0]=3 15 B7R1.2 C[C@@H]1COC(=O)C1 64712 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.2 C[C@@H]1COC(=O)C1 69011 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.2 C[C@H]1CC[C@H](C)N1 D85954 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.2 C[C@H]1CC[C@H](C)N1 P17787 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.7 NCCC1CCC(F)C1 AC4332 [0,1,0,0,0,0|2,0,1]=4 22 B9R1.21 OCC1CCC(CO)O1 D85677 [0,1,0,0,0,0|1,0,2]=4 23 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 P12403 [0,1,0,0,0,0|1,1,1]=4 24 B9R1.35 O=C1CC[C@H](C(F)F)C1 W19610 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.35 O=C1N[C@H](C(F)F)CO1 P18079 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.35 O=C1N[C@H](C(F)F)CO1 P18843 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.132 CN1C(=O)CC[C@@H]1CN 94191 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.132 CN1C(=O)CC[C@@H]1CN 94192 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.3 CNC(=O)CCCO F10217 [0,0,1,0,0,0|3,0,0]=4 30 B7R0.4 CC(=O)OCCCO Y14698 [0,0,1,0,0,0|3,0,0]=4 31 B9R2.139 O=C1CC2(CC2)CN1 87107 [0,0,0,1,0,0|2,0,0]=3 32 B9R2.139 O=C1CCC2(CC2)C1 P20949 [0,0,0,1,0,0|1,0,0]=2 33 B9R2.139 O=C1NC2(CC2)CO1 F30496 [0,0,0,1,0,0|2,0,0]=3 34 B9R2.139 O[C@H]1CCC2(CC2)C1 P19906 [0,0,0,1,0,0|1,0,2]=4 35 B7R1.8 CN1CC[C@@H]1CN P13166 [0,0,0,0,1,0|3,0,0]=4 36 B7R1.8 CO[C@H]1CC[C@@H]1N P20347 [0,0,0,0,1,0|2,0,1]=4 37 B7R1.8 NCC1CCC1F P18462 [0,0,0,0,1,0|2,0,1]=4 38 B7R1.8 OCC1CCC1F P19725 [0,0,0,0,1,0|2,0,1]=4 39 B7R1.8 OCC1CCC1O P20965 [0,0,0,0,1,0|1,0,2]=4 40 B7R1.10 O=C1C[C@H](CI)N1 W18669 [0,0,0,0,1,0|2,0,0]=3 41 B7R1.10 O=C1C[C@H](CO)N1 AT19035 [0,0,0,0,1,0|2,0,0]=3 42 B7R1.10 O=C1C[C@H](CO)N1 AT19036 [0,0,0,0,1,0|2,0,0]=3 43 B9R1.1 N[C@H]1CC[C@H](CO)OC1 P20704 [0,0,0,0,0,1|2,0,1]=4 44 B9R1.2 CC[C@H]1CCCC(=O)N1 D96357 [0,0,0,0,0,1|1,0,0]=2 45 B9R1.2 C[C@@H]1CNC[C@H](CO)O1 AT18640 [0,0,0,0,0,1|2,0,1]=4 46 B9R1.2 O=C1COC[C@H](CO)N1 AT10102 [0,0,0,0,0,1|2,0,0]=3 47 B6R0.9 C\C=C(\C=O)CC AC9866 [1,0,1,0,0,0|0,0,2]=4 48 B8R0.19 CC[C@H](N)CC(=O)OC Y11154 [0,1,1,0,0,0|2,0,0]=4 49 B8R0.1 C=CCC[C@@H](O)CCC D93149 [0,1,1,0,0,0|1,0,0]=3 50 B8R0.7 NCCOCCC(=O)O C72750 [0,1,1,0,0,0|1,0,0]=3 51 B8R1.7 CC(C)[C@H]1CCNC1 P17773 [1,1,0,0,0,0|2,0,0]=4 52 B8R1.8 CCC[C@H]1CCCN1 D85246 [1,1,0,0,0,0|1,0,1]=4 53 B8R1.8 NCC[C@H]1CCOC1 D96809 [1,1,0,0,0,0|2,0,0]=4 54 B8R1.13 COC[C@@H]1CC[C@@H]1N P20527 [0,1,0,0,1,0|1,0,1]=4 55 B8R1.13 COC[C@@H]1CC[C@@H]1N P20692 [0,1,0,0,1,0|1,0,1]=4 56 B8R1.13 COC[C@H]1CC[C@@H]1N P19812 [0,1,0,0,1,0|1,0,1]=4 57 B8R1.13 COC[C@H]1CC[C@@H]1N P20526 [0,1,0,0,1,0|1,0,1]=4 58 B8R1.48 NC[C@H]1CCS1(=O)=O P19377 [0,1,0,0,1,0|2,0,0]=4 59 B8R1.48 O=S1(=O)CC[C@@H]1CO P19878 [0,1,0,0,1,0|2,0,0]=4 60 B8R1.58 C[C@]1(C#N)CCC1=O 98577 [0,1,0,0,1,0|1,0,1]=4 61 B10R1.25 CCN1CCC(=O)CC1=O 32716 [0,1,0,0,0,1|2,0,0]=4 62 B10R1.2 CN1C(=O)COC[C@@H]1CO 56558 [0,1,0,0,0,1|2,0,0]=4 63 B10R1.36 O=C1N[C@@H](CO)CC1(F)F C74323 [0,2,0,0,0,0|2,0,0]=4 64 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [0,0,1,1,0,0|2,0,0]=4 65 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [0,0,1,1,0,0|1,0,0]=3 66 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [0,0,1,1,0,0|2,0,0]=4 67 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [0,0,1,1,0,0|2,0,0]=4 68 B8R1.3 O=C1CCS(=O)CC1 D86028 [0,0,1,1,0,0|1,0,1]=4 69 B8R1.5 C[C@H]1CNCC[C@@H]1O P21141 [0,0,1,1,0,0|2,0,0]=4 70 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [0,0,1,1,0,0|1,0,1]=4 71 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [0,0,1,1,0,0|1,0,1]=4 72 B8R1.5 [BH3-]C1=CCCC[C@@H]1C AC8574 [0,0,1,1,0,0|2,0,0]=4 73 B8R1.38 O=C(CCl)C1CCC1 P19145 [0,0,1,1,0,0|2,0,0]=4 74 B8R2.22 C1CC2CNCC12 59759 [1,0,0,1,0,0|2,0,0]=4 75 B8R2.34 C1C[C@H]2CN[C@@H]1C2 D73534 [1,0,0,1,0,0|1,0,1]=4 76 B8R2.55 C1CNC2(C1)CC2 38518 [1,0,0,1,0,0|1,0,1]=4 77 B8R2.4 O=C1CC2CC1C2 P20286 [1,0,0,1,0,0|1,0,0]=3 78 B8R2.18 O=C1CC2CC2N1 P20381 [1,0,0,1,0,0|1,0,0]=3 79 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97892 [1,0,0,1,0,0|1,0,0]=3 80 B8R2.38 O=C1NCC2CC12 AT10538 [1,0,0,1,0,0|2,0,0]=4 81 B8R2.19 N[C@H]1CCC12CC2 D76859 [0,0,0,1,1,0|1,0,1]=4 82 B10R2.178 O=C1CCC2CCC1N2 P16166 [0,0,0,1,0,1|1,0,0]=3 83 B10R2.178 O=C1NCC2CCC1C2 C73267 [0,0,0,1,0,1|1,0,0]=3 84 B10R2.178 O=C1NCC2CC[C@@H]1N2 I10808 [0,0,0,1,0,1|2,0,0]=4 85 B10R2.335 O=C1COC2(CC2)CN1 80201 [0,0,0,1,0,1|1,0,0]=3 86 B10R2.71 O=C1CC2COC(C1)O2 67575 [0,0,0,1,0,1|2,0,0]=4 87 B10R2.534 O=C1CC2(CCN1)CC2 87189 [0,0,0,1,0,1|1,0,0]=3 88 B10R2.534 O=C1CCCC2(CC2)C1 P17305 [0,0,0,1,0,1|1,0,0]=3 89 B10R2.534 O=C1CNCC2(CC2)N1 P17873 [0,0,0,1,0,1|1,0,0]=3 90 B10R2.2 O=C1C[C@@H]2COC[C@@H]2C1 P21060 [0,1,0,1,0,0|1,0,0]=3 91 B10R2.2 O=C1C[C@H]2COC[C@@H]2C1 P19920 [0,1,0,1,0,0|1,0,0]=3 92 B10R2.32 O=C1NC[C@@H]2CNC[C@H]12 H11466 [0,1,0,1,0,0|2,0,0]=4 93 B10R2.32 O=C1NC[C@@H]2CNC[C@H]12 P14928 [0,1,0,1,0,0|2,0,0]=4 94 B10R2.32 O=C1NC[C@@H]2CNC[C@H]12 P20361 [0,1,0,1,0,0|2,0,0]=4 95 B10R2.332 O=C1CCC2(CCC2)N1 91437 [0,1,0,1,0,0|1,0,0]=3 96 B10R2.332 O=C1CCC2(CNC2)N1 P14552 [0,1,0,1,0,0|1,0,0]=3 97 B10R2.332 O=C1CCC2(COC2)C1 AT10514 [0,1,0,1,0,0|1,0,0]=3 98 B10R2.332 O=C1COC2(CNC2)C1 D96719 [0,1,0,1,0,0|2,0,0]=4 99 B6R0.3 C[C@@H](CN)C(=O)O 31999 [0,0,1,0,1,0|2,0,0]=4 100 B6R1.6 NC[C@H]1CCO1 P21081 [1,0,0,0,1,0|1,0,0]=3 101 B6R1.4 N[C@H]1CNC1=O P11921 [1,0,0,0,1,0|2,0,0]=4 102 B6R1.5 O=C1CC(F)C1 P13807 [1,0,0,0,1,0|2,0,0]=4