0 B7R0.3 C=CC(=O)NCCO CS-0146430 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 C=CC(=O)OCCN CS-0646604 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.3 COC(=O)CCCO CS-0042326 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.3 O=C(CBr)CCCBr CS-1172752 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CCC(=O)CC#N CS-0084645 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.1 CCC(=O)CSC CS-0434652 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.1 COC(=O)CSC CS-W013574 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.1 COC(=O)NC#N CS-0379068 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.4 CC(C)CCCN CS-0252871 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.4 CNCCC(C)O CS-0459922 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.4 CSCCC(C)O CS-0242060 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.4 O=C(O)CCCF CS-0491783 [1,0,0,0,0,0|1,0,0]=2 12 B6R0.4 O=C(O)\C=C\CCl CS-0368704 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.6 CCCCCCO CS-0076046 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.1 CCC#CC(=O)OCC CS-0049392 [0,1,0,0,0,0|0,0,2]=3 15 B8R0.1 CCCC[C@H](N)CCO CS-0063111 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.1 CCOC(=O)C#CCBr CS-0964527 [0,1,0,0,0,0|1,0,2]=4 17 B8R0.1 CCOC(=O)CCCO CS-0539430 [0,1,0,0,0,0|1,0,0]=2 18 B8R0.1 CCOC(=O)CCSC CS-W010980 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.3 C=CCC(N)C(=O)OC CS-0158009 [0,1,0,0,0,0|0,0,2]=3 20 B8R0.3 CCCC(O)C(C)CC CS-0872989 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.3 COC(=O)[C@@H](O)CCN CS-0611326 [0,1,0,0,0,0|1,0,0]=2 22 B8R0.6 CCCCCC(=O)O[Na] CS-0152338 [0,1,0,0,0,0|1,0,0]=2 23 B8R0.8 C#CCCC(=O)N(C)C CS-0783902 [0,1,0,0,0,0|1,0,2]=4 24 B8R0.8 CC(C)C(=O)OCCO CS-0608394 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.11 CCCCC(CC)CN CS-W016071 [0,1,0,0,0,0|2,0,1]=4 26 B8R1.1 C=C[C@@H]1COC(=O)C1 CS-B0325 [0,0,0,1,0,0|0,0,2]=3 27 B8R1.1 CCC1CCC(=O)O1 CS-W016608 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.1 CO[C@H]1CC[C@H](N)C1 CS-0613346 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.1 N#CC1CNC(=O)C1 CS-0050413 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.1 N#C[C@H]1CCC(=O)C1 CS-0476471 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.1 O=C1CC[C@@H](CO)O1 CS-W002306 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.1 O=C1CC[C@H](CBr)N1 CS-W020693 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.1 O=C1OCC(CCl)O1 CS-0231732 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.3 C[C@H]1CO[C@H](C)CN1 CS-0183890 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.5 CC1CCCCC1=O CS-W011265 [0,0,0,1,0,0|1,0,0]=2 36 B8R1.5 O=C1NCCCC1Br CS-0072629 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.22 O=C1CCCOCC1 CS-0037287 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.52 COC1(C)CCNC1 CS-0139466 [0,0,0,1,0,0|2,0,1]=4 39 B5R0.1 CCC[C@@H](C)O CS-0198768 [2,0,0,0,0,0|0,0,2]=4 40 B5R0.2 C=CCCCO CS-W011355 [2,0,0,0,0,0|1,0,1]=4 41 B7R0.2 COC(=O)CC(C)=O CS-0017265 [1,1,0,0,0,0|0,0,1]=3 42 B7R0.2 COC(=O)C[C@H](C)Br CS-0910358 [1,1,0,0,0,0|0,0,0]=2 43 B7R0.5 COCC(=O)C(C)C CS-0310664 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.10 CCC(O)C(=O)OC CS-0469790 [1,1,0,0,0,0|0,0,0]=2 45 B7R0.10 CCC(O)C(=O)O[Na] CS-W013506 [1,1,0,0,0,0|1,0,0]=3 46 B7R0.10 COC(=O)C(Br)CBr CS-0187461 [1,1,0,0,0,0|1,0,0]=3 47 B7R0.10 COC(=O)C(Cl)CCl CS-W017982 [1,1,0,0,0,0|1,0,0]=3 48 B7R0.10 COC(=O)C(N)CCl CS-0150915 [1,1,0,0,0,0|1,0,0]=3 49 B7R0.4 CC(=O)CCCCO CS-0514254 [1,1,0,0,0,0|0,0,0]=2 50 B7R0.4 CCCCCC(N)=O CS-0128758 [1,1,0,0,0,0|1,0,0]=3 51 B7R0.4 O=[N+]([O-])CCCCO CS-0198124 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.6 CC(=O)NCC(C)O CS-0223956 [1,1,0,0,0,0|1,0,0]=3 53 B7R0.6 CC(C)CC[N+](=O)[O-] CS-0252338 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.6 C[C@H](N)CCC(=O)O CS-0753666 [1,1,0,0,0,0|0,0,0]=2 55 B7R0.8 CCCC[Si](C)(C)C CS-0612460 [1,1,0,0,0,0|1,1,0]=4 56 B7R0.1 COCCOCCO CS-0116091 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.5 CCOC(=O)\C=C\CCO CS-0079974 [0,2,0,0,0,0|0,0,2]=4 58 B9R0.34 CCOC(=O)CC(=O)CO CS-0093884 [0,2,0,0,0,0|1,0,1]=4 59 B9R0.34 CCOC(=O)CC(O)CCl CS-0187412 [0,2,0,0,0,0|1,0,0]=3 60 B9R0.35 CCCC(C)C(=O)OCC CS-W016383 [0,2,0,0,0,0|0,0,0]=2 61 B9R0.35 CCOC(=O)C(Br)CCBr CS-0005423 [0,2,0,0,0,0|1,0,0]=3 62 B9R0.23 COC(=O)[C@@H](C)CC(=O)O CS-0376341 [0,2,0,0,0,0|1,0,1]=4 63 B9R0.23 COC(=O)[C@H](O)CC(C)C CS-0158522 [0,2,0,0,0,0|0,0,0]=2 64 B9R0.27 CCC(C)C(N)C(=O)OC CS-0959395 [0,2,0,0,0,0|0,0,0]=2 65 B9R0.27 CCC(C)C(O)C(=O)OC CS-0235967 [0,2,0,0,0,0|0,0,0]=2 66 B9R0.60 COC(=O)C(C)(C)CCBr CS-0452811 [0,2,0,0,0,0|1,0,0]=3 67 B9R0.1 COC(=O)CCCC(C)Br CS-0884141 [0,2,0,0,0,0|0,0,0]=2 68 B9R0.46 COC(=O)CCOCCN CS-0926565 [0,2,0,0,0,0|0,0,0]=2 69 B9R0.47 C=C(C)C(=O)OCCSC CS-0504469 [0,2,0,0,0,0|2,0,0]=4 70 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CS-0059140 [0,2,0,0,0,0|1,0,1]=4 71 B9R0.22 COC(=O)CC(C)(C)C#N CS-0343654 [0,2,0,0,0,0|1,0,1]=4 72 B7R1.2 C[C@@H]1CC(=O)CN1 CS-0656263 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.3 CC1=NCCCC1 CS-1176015 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.3 O=C1C=CCCO1 CS-0037765 [1,0,0,1,0,0|0,0,2]=4 75 B7R1.4 CN1CNCC1=O CS-0620292 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.22 O=C(O[K])[C@H]1CO1 CS-0099809 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.12 C[C@H]1C[C@H]1B(O)O CS-0254193 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.12 C[C@H]1C[C@H]1C(=O)O CS-0368383 [1,0,0,1,0,0|0,0,0]=2 79 B7R1.12 [C@@H]1(C(=O)O)C[C@@H]1C CS-0049741 [1,0,0,1,0,0|0,0,0]=2 80 B7R1.18 CC(=O)N1CCC1 CS-0240228 [1,0,0,1,0,0|1,0,0]=3 81 B7R1.18 C[C@@H](N)C1CCC1 CS-0055818 [1,0,0,1,0,0|1,0,1]=4 82 B7R1.18 NC(=S)C1CCC1 CS-0308165 [1,0,0,1,0,0|1,1,0]=4 83 B9R1.2 CCC1CC(=O)CCN1 CS-0443395 [0,1,0,1,0,0|1,0,0]=3 84 B9R1.2 CO[C@H]1CCC[C@@H](N)C1 CS-0128615 [0,1,0,1,0,0|1,0,1]=4 85 B9R1.7 CCOC1CCC(=O)N1 CS-0527529 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.15 O=C1CCCC=C1CO CS-0883202 [0,1,0,1,0,0|1,0,1]=4 87 B9R1.15 O=C1NCCCC1CO CS-0437764 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.48 O=C1CC(O)CCCN1 CS-0568375 [0,1,0,1,0,0|1,0,0]=3 89 B9R1.69 CC1=NN(C)C(=O)CC1 CS-0105619 [0,1,0,1,0,0|1,0,1]=4 90 B9R1.183 CCOC(=O)C1CC1C CS-0242636 [0,1,0,1,0,0|0,0,0]=2 91 B9R1.5 CN1CCCCCC1=O CS-0151090 [0,1,0,1,0,0|1,0,0]=3 92 B9R1.11 CCC(=O)C1CCOC1 CS-0264121 [0,1,0,1,0,0|1,0,0]=3 93 B9R1.11 COC(=O)C1CCSC1 CS-0892084 [0,1,0,1,0,0|0,0,0]=2 94 B9R1.37 CC1CC(=O)C(=O)C1C CS-W011157 [0,1,0,1,0,0|1,0,1]=4 95 B9R1.82 COC(=O)C1CC(Br)C1 CS-0049107 [0,1,0,1,0,0|0,0,0]=2 96 B9R1.88 C#C[C@H]1C[C@H]1C(=O)OC CS-0568398 [0,1,0,1,0,0|0,0,1]=3 97 B9R1.88 COC(=O)[C@@H]1O[C@@H]1CBr CS-0638423 [0,1,0,1,0,0|1,0,0]=3 98 B9R1.101 COC(=O)C(Cl)=C1CC1 CS-W022804 [0,1,0,1,0,0|0,0,2]=4 99 B9R1.132 CN1C(=O)CC[C@@H]1CO CS-0143902 [0,1,0,1,0,0|1,0,0]=3 100 B9R1.132 CN1C(=O)CC[C@H]1CO CS-0197567 [0,1,0,1,0,0|1,0,0]=3 101 B9R1.1 CO[C@H]1CC[C@H](N)CC1 CS-0047753 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.1 O=C1CCC(CBr)CC1 CS-0139175 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.1 O=C1CCC(CO)CN1 CS-W022263 [0,1,0,1,0,0|1,0,0]=3 104 B9R1.1 O=C1COC(CBr)CN1 CS-0851899 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.79 NCC(=O)NC1CCC1 CS-0285762 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.89 COC1CCCNCC1 CS-0050816 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.118 COC1(C)CCCNC1 CS-0646030 [0,1,0,1,0,0|1,0,1]=4 108 B9R1.23 CN1CC(CI)CC1=O CS-0309949 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.23 CN1C[C@@H](CN)CC1=O CS-0501438 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.10 CC1(C)CC=C(Br)CC1 CS-0195421 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.10 CC1(C)CNC(=O)CN1 CS-0050733 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.10 CC1(C)CNC(=O)CO1 CS-0444561 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.10 CC1(N)CCC(=O)CC1 CS-0343415 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.185 COC(=O)C1CC1(F)F CS-0340296 [0,1,0,1,0,0|1,0,0]=3 115 B9R1.204 C#CC1(OC)CCCC1 CS-0645658 [0,1,0,1,0,0|1,0,1]=4 116 B9R1.204 COC1(CN)CCCC1 CS-0540889 [0,1,0,1,0,0|1,0,1]=4 117 B9R2.139 O=C1NCC2(CC2)O1 CS-0310316 [0,0,0,2,0,0|2,0,0]=4 118 B9R2.140 O=C1CCC12CCC2 CS-0054569 [0,0,0,2,0,0|1,0,0]=3