0 B6R0.1 CCC(=O)CC#N CS-0084645 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 CCC(=O)CSC CS-0434652 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.1 CCC(O)CNC CS-0225521 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 COC(=O)CSC CS-W013574 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.1 COC(=O)NC#N CS-0379068 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC(F)CCN CS-0104778 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 CCC[C@@H](C)O CS-0198768 [1,0,0,0,0,0|0,0,2]=3 7 B5R0.1 CSCC(C)O CS-0265494 [1,0,0,0,0,0|1,0,2]=4 8 B5R0.1 C[S+](C)CCCl CS-0660802 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.3 CCC(I)CC CS-0236902 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.2 CC(C)OC(=O)CO CS-0154171 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.2 COC(=O)CC(C)=O CS-0017265 [0,1,0,0,0,0|0,0,1]=2 12 B7R0.2 COC(=O)C[C@H](C)Br CS-0910358 [0,1,0,0,0,0|0,0,0]=1 13 B7R0.3 C=CC(=O)NCCO CS-0146430 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.3 C=CC(=O)OCCN CS-0646604 [0,1,0,0,0,0|2,0,1]=4 15 B7R0.3 COC(=O)CCCO CS-0042326 [0,1,0,0,0,0|0,0,0]=1 16 B7R0.3 O=C(CBr)CCCBr CS-1172752 [0,1,0,0,0,0|2,0,0]=3 17 B7R0.5 COCC(=O)C(C)C CS-0310664 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.7 CCC[C@@H](N)CCO CS-0162168 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.7 CCOC(=O)\C=C/I CS-0151925 [0,1,0,0,0,0|1,0,2]=4 20 B7R0.7 CCOC(=O)\C=C\F CS-0890432 [0,1,0,0,0,0|1,0,2]=4 21 B7R0.10 CCC(O)C(=O)OC CS-0469790 [0,1,0,0,0,0|0,0,0]=1 22 B7R0.10 CCC(O)C(=O)O[Na] CS-W013506 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.10 COC(=O)C(Br)CBr CS-0187461 [0,1,0,0,0,0|1,0,0]=2 24 B7R0.10 COC(=O)C(Cl)CCl CS-W017982 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.10 COC(=O)C(N)CCl CS-0150915 [0,1,0,0,0,0|1,0,0]=2 26 B7R1.1 BrCC1=CCCC1 CS-0052832 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.1 CC[C@@H]1CCCN1 CS-0452663 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.1 NOC1CCCC1 CS-0634533 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.2 C[C@@H]1CC(=O)CN1 CS-0656263 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.2 O=C1C=C(O)CO1 CS-W013716 [0,0,0,1,0,0|1,0,2]=4 31 B7R1.3 C=C1CCNCC1 CS-0642791 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.3 CC1=NCCCC1 CS-1176015 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.3 O=C1C=CCCO1 CS-0037765 [0,0,0,1,0,0|0,0,2]=3 34 B7R1.3 O=C1C=CNCC1 CS-0227023 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.4 CN1CNCC1=O CS-0620292 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.4 O=C1NCCC1F CS-0467788 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.10 CNC1CC(C)C1 CS-0036338 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.22 O=C(O[K])[C@H]1CO1 CS-0099809 [0,0,0,1,0,0|2,0,0]=3 39 B4R0.1 NC(=O)CCl CS-W011345 [2,0,0,0,0,0|2,0,0]=4 40 B4R0.1 O=C(O)CO CS-W016683 [2,0,0,0,0,0|1,0,0]=3 41 B6R0.2 CC(=O)\C=C(\C)N CS-0095595 [1,1,0,0,0,0|0,0,2]=4 42 B6R0.2 CC(C)C[N+](=O)[O-] CS-0252339 [1,1,0,0,0,0|1,0,1]=4 43 B6R0.2 CC(N)CN(C)C CS-B1299 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.2 O=C(O)CC(F)F CS-0054587 [1,1,0,0,0,0|1,0,0]=3 45 B6R0.3 CCC(Br)C(=O)O CS-W016049 [1,1,0,0,0,0|0,0,0]=2 46 B6R0.3 N[C@H](CS)C(=O)O CS-0046802 [1,1,0,0,0,0|1,0,0]=3 47 B6R0.4 CC(C)CCCN CS-0252871 [1,1,0,0,0,0|1,0,1]=4 48 B6R0.4 CNCCC(C)O CS-0459922 [1,1,0,0,0,0|0,0,2]=4 49 B6R0.4 CSCCC(C)O CS-0242060 [1,1,0,0,0,0|0,0,2]=4 50 B6R0.4 O=C(O)CCCF CS-0491783 [1,1,0,0,0,0|0,0,0]=2 51 B6R0.4 O=C(O)\C=C\CCl CS-0368704 [1,1,0,0,0,0|0,0,2]=4 52 B6R0.5 CS(=N)(=O)CCO CS-0434884 [1,1,0,0,0,0|2,0,0]=4 53 B6R0.5 O=S(=O)(O)CCO CS-W018254 [1,1,0,0,0,0|2,0,0]=4 54 B6R0.6 CCCCCCO CS-0076046 [1,1,0,0,0,0|1,0,1]=4 55 B6R0.8 COP(=O)(O)OC CS-0164327 [1,1,0,0,0,0|2,0,0]=4 56 B8R0.5 CCOC(=O)C[C@@H](C)O CS-D1461 [0,2,0,0,0,0|0,0,0]=2 57 B8R0.1 CCC#CC(=O)OCC CS-0049392 [0,2,0,0,0,0|0,0,1]=3 58 B8R0.1 CCOC(=O)C#CCBr CS-0964527 [0,2,0,0,0,0|0,0,2]=4 59 B8R0.1 CCOC(=O)CCCO CS-0539430 [0,2,0,0,0,0|0,0,0]=2 60 B8R0.1 CCOC(=O)CCSC CS-W010980 [0,2,0,0,0,0|0,0,0]=2 61 B8R0.3 C=CCC(N)C(=O)OC CS-0158009 [0,2,0,0,0,0|0,0,1]=3 62 B8R0.3 CCOC(=O)C(O)CCl CS-0811151 [0,2,0,0,0,0|1,0,0]=3 63 B8R0.3 COC(=O)[C@@H](O)CCN CS-0611326 [0,2,0,0,0,0|0,0,0]=2 64 B8R0.6 CCCCCC(=O)O[Na] CS-0152338 [0,2,0,0,0,0|1,0,0]=3 65 B8R0.8 C#CCCC(=O)N(C)C CS-0783902 [0,2,0,0,0,0|1,0,1]=4 66 B8R0.8 CC(C)C(=O)OCCO CS-0608394 [0,2,0,0,0,0|2,0,0]=4 67 B8R0.15 COC(CCN)C(=O)O CS-0344933 [0,2,0,0,0,0|1,0,1]=4 68 B8R0.30 CCCS(=O)(=O)OCC CS-1053391 [0,2,0,0,0,0|1,0,0]=3 69 B6R1.2 NN1CCCC1 CS-W001610 [1,0,0,1,0,0|2,0,0]=4 70 B6R1.2 O=C1CCCS1 CS-0120136 [1,0,0,1,0,0|0,1,0]=3 71 B6R1.5 C[C@H]1C[C@H](N)C1 CS-0433455 [1,0,0,1,0,0|1,0,1]=4 72 B6R1.10 N=S1(=O)CCC1 CS-0134180 [1,0,0,1,0,0|2,0,0]=4 73 B6R1.11 C[C@H](O)C1CC1 CS-0181004 [1,0,0,1,0,0|0,0,2]=4 74 B8R1.1 C=C[C@@H]1COC(=O)C1 CS-B0325 [0,1,0,1,0,0|0,0,1]=3 75 B8R1.1 CCC1CCC(=O)O1 CS-W016608 [0,1,0,1,0,0|1,0,0]=3 76 B8R1.1 CO[C@H]1CC[C@H](N)C1 CS-0613346 [0,1,0,1,0,0|1,0,1]=4 77 B8R1.1 N#CC1CNC(=O)C1 CS-0050413 [0,1,0,1,0,0|1,0,1]=4 78 B8R1.1 N#C[C@H]1CCC(=O)C1 CS-0476471 [0,1,0,1,0,0|1,0,1]=4 79 B8R1.1 O=C1CC[C@@H](CO)O1 CS-W002306 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.1 O=C1CC[C@H](CBr)N1 CS-W020693 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.1 O=C1OCC(CCl)O1 CS-0231732 [0,1,0,1,0,0|1,0,0]=3 82 B8R1.4 CC1CC(O)CCO1 CS-0051835 [0,1,0,1,0,0|1,0,1]=4 83 B8R1.4 CC1CCNC(=O)C1 CS-0052341 [0,1,0,1,0,0|1,0,0]=3 84 B8R1.4 C[C@@H]1C[C@H](O)CCO1 CS-0472514 [0,1,0,1,0,0|1,0,1]=4 85 B8R1.4 O=C1CCNC(=O)O1 CS-0736575 [0,1,0,1,0,0|1,0,1]=4 86 B8R1.18 CC1CC(=O)C(C)O1 CS-0784607 [0,1,0,1,0,0|1,0,0]=3 87 B8R1.18 CC1OC(=O)OC1C CS-0511127 [0,1,0,1,0,0|1,0,0]=3 88 B8R1.51 CC1(C)CC(=O)NO1 CS-0067871 [0,1,0,1,0,0|2,0,0]=4 89 B8R1.51 C[C@H]1COS(=O)(=O)N1 CS-0646539 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.3 C[C@H]1CO[C@H](C)CN1 CS-0183890 [0,1,0,1,0,0|1,0,1]=4 91 B8R1.5 CC1CCCCC1=O CS-W011265 [0,1,0,1,0,0|1,0,0]=3 92 B8R1.5 O=C1NCCCC1Br CS-0072629 [0,1,0,1,0,0|1,0,0]=3 93 B8R1.22 O=C1CCCOCC1 CS-0037287 [0,1,0,1,0,0|1,0,0]=3 94 B8R1.50 CN1CC[C@@H](N)C1=O CS-0435485 [0,1,0,1,0,0|1,0,0]=3 95 B8R1.52 COC1(C)CCNC1 CS-0139466 [0,1,0,1,0,0|1,0,1]=4 96 B8R1.37 CCOC(=O)C1CO1 CS-0049393 [0,1,0,1,0,0|1,0,0]=3 97 B8R1.11 COC1CCCC1=O CS-0432948 [0,1,0,1,0,0|0,0,0]=2 98 B8R1.11 CO[C@@H]1CCC[C@H]1N CS-0183718 [0,1,0,1,0,0|1,0,1]=4 99 B8R1.11 CO[C@@H]1CCC[C@H]1N CS-0737895 [0,1,0,1,0,0|1,0,1]=4 100 B8R1.39 CNC(=O)C1(N)CC1 CS-0288212 [0,1,0,1,0,0|1,0,0]=3