0 B7R0.3 CCCCC(=O)OC 20-0500 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.3 COC(=O)CCCBr CS-741 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.3 COC(=O)CN=[N+]=[N-] 08-2360 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.3 CSCC[C@H](N)CO 022900 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.3 CSCC[C@H](N)CO 04-2082 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CCCC(=O)OC 20-0400 [1,0,0,0,0,0|0,0,0]=1 6 B6R0.1 CCC[C@@H](O)CC 40-0600 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.1 CCNC(=O)CO 08-10467 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.1 CCOC(=O)CF 26-792 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.1 CCOC(=O)CN 04-1586 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.1 CNCC(=O)OC 04-2425 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.1 COC(=O)\C=C/Br 08-1758 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.1 COC(=O)\C=C/I 08-3227 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.4 CCCCC(=O)O 025124 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.4 CCCCC(=O)O 71-0509 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.4 NCCCC(=O)O 020706 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.4 NCCCC(=O)O 06-1637 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.6 CCCCCCC 05-0700 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.3 CCC[C@H](N)C(=O)OC 04-2209 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.6 CCCCCC(=O)CC 025222S [0,1,0,0,0,0|2,0,0]=3 20 B8R0.6 CCCCCC(=O)OC 20-0600 [0,1,0,0,0,0|1,0,0]=2 21 B8R0.6 CCCCOC(=O)CF 26-325 [0,1,0,0,0,0|3,0,0]=4 22 B8R0.9 COC(=O)CCC(=O)Cl 08-6945 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.9 COC(=O)NCC(=O)O 04-2147 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.19 CCC(=O)C[C@@H](C)CC 025226S [0,1,0,0,0,0|2,0,0]=3 25 B8R0.19 COC(=O)CC(=O)OC 25-0300 [0,1,0,0,0,0|0,1,1]=3 26 B8R0.19 COC(=O)\C=C(/C)OC 08-3238 [0,1,0,0,0,0|0,1,2]=4 27 B8R1.2 COC1=CCOCC1 08-4018 [0,0,0,1,0,0|1,1,0]=3 28 B8R1.2 COC1CCNCC1 021332S [0,0,0,1,0,0|2,0,1]=4 29 B8R1.2 COC1CCNCC1 08-5414 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.2 ON=C1CCSCC1 08-5717 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.3 N[C@H]1CCC(=O)NC1 08-4610 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.5 CN1CCNCC1=O 08-7559 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.5 O=C1CCOC[C@@H]1Br 08-6716 [0,0,0,1,0,0|2,1,0]=4 34 B8R1.5 O=C1CCOC[C@@H]1F 08-3979 [0,0,0,1,0,0|2,1,0]=4 35 B8R1.22 O=C1CCCCCO1 19-1299 [0,0,0,1,0,0|1,0,0]=2 36 B8R1.22 O=C1CCSCCN1 08-5724 [0,0,0,1,0,0|1,0,0]=2 37 B8R1.38 COC(=O)C1CNC1 08-4021 [0,0,0,1,0,0|1,0,0]=2 38 B5R0.1 C=C(C)OCC 08-3147 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.1 CCCB(O)O 08-422 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.1 CCCC(=O)O 10-0400 [2,0,0,0,0,0|0,0,0]=2 41 B5R0.1 CNCC(=O)O 04-2418 [2,0,0,0,0,0|1,0,0]=3 42 B5R0.1 CNCC(=O)O BIO-957 [2,0,0,0,0,0|1,0,0]=3 43 B5R0.1 CNCC(N)=O 04-2420 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 C\C=C\C(=O)O 020716 [2,0,0,0,0,0|0,0,2]=4 45 B5R0.1 NCCC(=O)O 025502 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.1 O=C(O)CCCl CS-222 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.2 CCCCCC 05-0600 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.2 CCCCCO 40-0500 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.3 CCC(=O)OC 20-0300 [2,0,0,0,0,0|0,0,0]=2 50 B5R0.3 COC(=O)CN 04-1589 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.5 CCOC(=O)[C@H](C)F 26-799 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.5 CCOC(=O)[C@H](C)N 04-132 [1,1,0,0,0,0|2,0,0]=4 53 B7R0.7 CCCC(=O)OCC 023317S [1,1,0,0,0,0|0,0,0]=2 54 B7R0.7 CCOC(=O)CCN 04-130 [1,1,0,0,0,0|1,0,0]=3 55 B7R0.7 CCOC(=O)CNC 04-2424 [1,1,0,0,0,0|1,0,0]=3 56 B7R0.10 COC(=O)C(=O)CBr 08-1105 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.10 COC(=O)C(=O)OC 25-0200 [1,1,0,0,0,0|0,1,1]=4 58 B7R0.10 COC(=O)[C@@H](N)CCl 04-1036 [1,1,0,0,0,0|1,0,0]=3 59 B7R0.10 COC(=O)[C@@H](N)CO 04-2444 [1,1,0,0,0,0|0,1,0]=3 60 B7R0.10 COC(=O)[C@@H](N)CO 25-081 [1,1,0,0,0,0|0,1,0]=3 61 B7R0.10 COC(=O)[C@H](C)OC CS-795 [1,1,0,0,0,0|0,1,0]=3 62 B7R0.4 CCCCCC(=O)O 10-0600 [1,1,0,0,0,0|1,0,0]=3 63 B7R0.4 NCCCCC(=O)O 12-902 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.6 CC(=O)NCC(=O)O 04-2739 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.6 CC(=O)OCC(C)C 025143S [1,1,0,0,0,0|2,0,0]=4 66 B7R0.6 O=C(O)CCC(=O)O 15-0400 [1,1,0,0,0,0|2,0,0]=4 67 B9R0.5 CCCCCC(=O)OCC 023020S [0,2,0,0,0,0|1,0,0]=3 68 B9R0.8 CCCC[C@H](N)C(=O)OC 04-2197 [0,2,0,0,0,0|1,0,0]=3 69 B9R0.8 COC(=O)[C@@H](N)CCCN 04-2219 [0,2,0,0,0,0|1,0,0]=3 70 B9R0.8 COC(=O)[C@@H](N)CCSC 04-2076 [0,2,0,0,0,0|0,0,0]=2 71 B9R0.8 COC(=O)[C@@H](N)CCSC 20-1871 [0,2,0,0,0,0|0,0,0]=2 72 B9R0.18 CCCCC(=O)OCCC CS-909 [0,2,0,0,0,0|1,0,0]=3 73 B9R0.34 CCC[C@H](O)CC(=O)OC 24-0603 [0,2,0,0,0,0|1,0,0]=3 74 B9R0.48 CCOC(=O)CNC(C)=O 04-047 [0,2,0,0,0,0|2,0,0]=4 75 B9R0.23 COC(=O)[C@@H](N)CC(C)C 04-1916 [0,2,0,0,0,0|1,0,0]=3 76 B9R0.23 COC(=O)[C@@H](N)CC(C)C 20-1854 [0,2,0,0,0,0|1,0,0]=3 77 B9R0.23 COC(=O)[C@H](C)NC(C)=O 04-018 [0,2,0,0,0,0|2,0,0]=4 78 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC 04-1848 [0,2,0,0,0,0|1,0,0]=3 79 B9R0.27 COC(=O)C(F)C(=O)OC 26-729 [0,2,0,0,0,0|0,1,1]=4 80 B9R0.24 COC(=O)CCC(=O)OC 25-0400 [0,2,0,0,0,0|0,1,0]=3 81 B9R0.24 COC(=O)CNC(=O)CN 04-1629 [0,2,0,0,0,0|2,0,0]=4 82 B9R0.46 CCCCCCC(=O)OC 20-0700 [0,2,0,0,0,0|1,0,0]=3 83 B9R0.46 COC(=O)CCCCCBr 19-614 [0,2,0,0,0,0|1,0,0]=3 84 B9R0.42 COC(=O)C[C@H](N)C(=O)O 04-382 [0,2,0,0,0,0|2,0,0]=4 85 B9R0.21 COC(=O)CCC(F)(F)F 27-198 [0,2,0,0,0,0|2,0,0]=4 86 B9R0.21 COC(=O)CC[B-](F)(F)F 08-2792 [0,2,0,0,0,0|2,0,0]=4 87 B7R1.2 CN1CCC(=O)C1 08-3269 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.3 O=C1CCCNC1 08-7861 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.3 O=C1CCCOC1 08-7989 [1,0,0,1,0,0|1,1,0]=4 90 B7R1.3 O=C1CCCSC1 08-7956 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.3 O=C1CCNCC1 06-1702 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.3 O=C1CCSCC1 08-5722 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.3 O=C1COCCN1 08-7686 [1,0,0,1,0,0|1,1,0]=4 94 B7R1.22 NNC(=O)C1CC1 08-6988 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.18 NC(=O)C1CNC1 08-4566 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.18 O=C(O)C1CNC1 08-4541 [1,0,0,1,0,0|1,0,0]=3 97 B7R1.18 O=C(O)[C@@H]1CCN1 024375 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.18 O=C(O)[C@@H]1CCN1 024439 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.18 O=C(O)[C@@H]1CCN1 024974S [1,0,0,1,0,0|2,0,0]=4 100 B7R1.18 O=C(O)[C@@H]1CCN1 04-395 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.18 O=C(O)[C@@H]1CCO1 08-8067 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.24 C1CNCCOC1 08-5738 [1,0,0,1,0,0|1,0,1]=4 103 B7R1.24 C1CNCCSC1 08-5317 [1,0,0,1,0,0|1,0,1]=4 104 B9R1.48 C[C@H]1CC(=O)NCCN1 08-7452 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.69 CN1CC[C@H](N)CC1=O 08-4570 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.69 CN1C[C@@H](N)CCC1=O 08-4611 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.73 CCOC(=O)C1CNC1 08-5203 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.5 CN1CCCNCC1=O 08-5477 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.11 COC(=O)[C@@H]1CCCN1 04-2369 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.11 COC(=O)[C@@H]1CCCN1 20-2305 [0,1,0,1,0,0|1,0,0]=3 111 B9R1.11 COC(=O)[C@H]1CCOC1 08-7659 [0,1,0,1,0,0|0,1,0]=3 112 B9R1.82 COC(=O)C1CC(=O)C1 08-5372 [0,1,0,1,0,0|1,0,0]=3 113 B9R1.82 COC(=O)C1CC(O)C1 08-5394 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 08-7544 [0,1,0,1,0,0|1,0,0]=3 115 B9R1.186 COC(=O)C1(N)COC1 08-7606 [0,1,0,1,0,0|0,1,0]=3 116 B9R1.79 COC(=O)C=C1COC1 08-4015 [0,1,0,1,0,0|0,1,1]=4 117 B9R1.79 COC(=O)CC1CNC1 08-5407 [0,1,0,1,0,0|1,0,0]=3 118 B9R1.79 COC(=O)CC1COC1 08-5392 [0,1,0,1,0,0|0,1,0]=3 119 B9R1.80 COC(=O)\C=C\C1CC1 08-10543 [0,1,0,1,0,0|1,0,1]=4 120 B9R1.110 CN(C)C(=O)C1CNC1 08-5145 [0,1,0,1,0,0|2,0,0]=4 121 B9R2.39 O=C1CC2CCC1C2 025054 [0,0,0,2,0,0|2,0,0]=4