0 B10R0.96 CC(=O)CC(=O)CCC(=O)O CS-W010900 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.4 C=CCOC(=O)CC(C)=O CS-W018294 [1,0,0,0,0,0|0,0,2]=3 2 B9R0.4 CC(=O)CC(=O)NCCO CS-0138442 [1,0,0,0,0,0|2,0,0]=3 3 B9R0.4 CCCOC(=O)CC(C)C CS-0453597 [1,0,0,0,0,0|1,0,1]=3 4 B9R0.48 CCOC(=O)CCC(C)C CS-0151589 [1,0,0,0,0,0|2,0,1]=4 5 B9R0.55 CC(C)CCCCC(=O)O CS-0154230 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.645 CC(C)CC1NC(=O)NC1=O CS-0088033 [0,0,0,1,0,0|3,0,0]=4 7 B11R1.645 CC(C)CC1NC(=O)OC1=O CS-0317706 [0,0,0,1,0,0|3,0,0]=4 8 B11R1.645 CC1=NN(CC(C)C)C(=O)C1 CS-0230748 [0,0,0,1,0,0|2,0,0]=3 9 B9R0.7 C=C(C)C(=O)NCC(C)O CS-0115777 [0,0,0,0,1,0|3,0,0]=4 10 B9R0.7 CC(C)COC(=O)[C@H](C)N CS-0199364 [0,0,0,0,1,0|1,0,1]=3 11 B9R0.53 CC(=O)CC(=O)CC(C)C CS-0095754 [0,0,0,0,1,0|0,0,0]=1 12 B9R0.53 CC(=O)CC(=O)OC(C)C CS-0179766 [0,0,0,0,1,0|0,0,0]=1 13 B9R0.53 CC(C)CC(N)CC(=O)O CS-W021839 [0,0,0,0,1,0|2,0,1]=4 14 B9R0.53 CC(C)C[C@@H](N)CC(=O)O CS-0038509 [0,0,0,0,1,0|2,0,1]=4 15 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-0036492 [0,0,0,0,1,0|2,0,1]=4 16 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-W008482 [0,0,0,0,1,0|2,0,1]=4 17 B9R0.53 CC(C)OC(=O)OC(C)C CS-W014351 [0,0,0,0,1,0|2,0,1]=4 18 B9R0.53 CC(C)OC(=O)OC(C)Cl CS-W021319 [0,0,0,0,1,0|2,0,1]=4 19 B9R0.53 C\C(N)=C\C(=O)OC(C)C CS-0130491 [0,0,0,0,1,0|1,0,1]=3 20 B8R0.1 CCCOC(=O)CC#N CS-0217234 [2,0,0,0,0,0|1,0,1]=4 21 B8R0.5 CCOC(=O)CC(=N)N CS-W003345 [2,0,0,0,0,0|2,0,0]=4 22 B8R0.5 CCOC(=O)CC(=N)S CS-W005154 [2,0,0,0,0,0|1,1,0]=4 23 B8R0.5 CCOC(=O)CC(=O)O CS-0016016 [2,0,0,0,0,0|1,0,0]=3 24 B8R0.5 CCOC(=O)CC(C)=O CS-0016216 [2,0,0,0,0,0|0,0,0]=2 25 B8R0.5 CCOC(=O)CC(C)Br CS-0197403 [2,0,0,0,0,0|1,0,1]=4 26 B8R0.5 CCOC(=O)CC(C)N CS-0030781 [2,0,0,0,0,0|1,0,1]=4 27 B8R0.5 CCOC(=O)CC(C)O CS-W013417 [2,0,0,0,0,0|0,0,2]=4 28 B8R0.5 CCOC(=O)CC(N)=O CS-W002214 [2,0,0,0,0,0|1,0,0]=3 29 B8R0.5 CCOC(=O)CN(C)C CS-W013421 [2,0,0,0,0,0|2,0,0]=4 30 B8R0.5 CCOC(=O)C[C@@H](C)N CS-0162169 [2,0,0,0,0,0|1,0,1]=4 31 B8R0.5 CCOC(=O)C[C@H](C)N CS-0095476 [2,0,0,0,0,0|1,0,1]=4 32 B8R0.5 CCOC(=O)C[C@H](C)O CS-0112519 [2,0,0,0,0,0|0,0,2]=4 33 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS-0000037 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.5 CCOC(=O)C[S+](C)C CS-0167158 [2,0,0,0,0,0|2,0,0]=4 35 B8R0.5 CCOC(=O)\C=C(\C)I CS-0130425 [2,0,0,0,0,0|1,0,1]=4 36 B8R0.5 CCOC(=O)\C=C(\C)N CS-0031464 [2,0,0,0,0,0|1,0,1]=4 37 B8R0.5 CCOC(=O)\C=C(\C)N CS-W011120 [2,0,0,0,0,0|1,0,1]=4 38 B8R0.7 CCCCCCC(C)=O CS-W011125 [2,0,0,0,0,0|1,0,1]=4 39 B10R0.6 CC(=O)CC(=O)OCCC#N CS-0088550 [1,1,0,0,0,0|0,0,1]=3 40 B10R0.18 CCCCC(=O)CC(=O)OC CS-0152392 [1,1,0,0,0,0|1,0,0]=3 41 B10R0.18 CCOCC(=O)CC(=O)OC CS-0043415 [1,1,0,0,0,0|2,0,0]=4 42 B10R0.18 COCCC(=O)CC(=O)OC CS-0187518 [1,1,0,0,0,0|2,0,0]=4 43 B10R0.32 CCOC(=O)C(=O)CC(C)=O CS-0007580 [1,1,0,0,0,0|2,0,0]=4 44 B10R0.78 CC(C)COC(=O)C#CCO CS-0567277 [1,1,0,0,0,0|0,0,2]=4 45 B10R0.82 C=C(C)C(=O)OCC(O)CO CS-0199175 [0,1,0,0,1,0|2,0,0]=4 46 B10R0.31 CC(=O)CC(=O)SC(C)(C)C CS-B0729 [0,1,0,0,1,0|0,1,0]=3 47 B10R0.31 CC(=O)NC(=O)OC(C)(C)C CS-0134558 [0,1,0,0,1,0|1,0,0]=3 48 B10R0.31 CC(C)(C)OC(=O)CC(=O)O CS-D1454 [0,1,0,0,1,0|1,0,0]=3 49 B10R0.31 CC(C)(C)OC(=O)CC(N)=O CS-0369601 [0,1,0,0,1,0|1,0,0]=3 50 B10R0.31 CC(C)(C)OC(=O)CC(N)=S CS-0380780 [0,1,0,0,1,0|1,1,0]=4 51 B10R0.31 CC(O)CC(=O)OC(C)(C)C CS-0372996 [0,1,0,0,1,0|0,0,2]=4 52 B10R0.31 CN(N)CC(=O)OC(C)(C)C CS-0154833 [0,1,0,0,1,0|2,0,0]=4 53 B10R0.31 C[C@@H](N)CC(=O)OC(C)(C)C CS-0266774 [0,1,0,0,1,0|1,0,1]=4 54 B10R0.31 C[C@@H](O)CC(=O)OC(C)(C)C CS-0609936 [0,1,0,0,1,0|0,0,2]=4 55 B10R0.31 C[C@H](O)CC(=O)OC(C)(C)C CS-0313136 [0,1,0,0,1,0|0,0,2]=4 56 B10R1.61 CC(=O)C1CCCCC1=O CS-D1351 [1,0,0,1,0,0|1,0,0]=3 57 B10R1.61 O=C(O)C1CCCNC1=O CS-0186681 [1,0,0,1,0,0|2,0,0]=4 58 B10R1.59 CC(C)C1NC(=O)NC1=O CS-0059211 [1,0,0,1,0,0|2,0,0]=4 59 B10R1.59 CC(C)C1OC(N)=NC1=O CS-B1570 [1,0,0,1,0,0|2,0,0]=4 60 B10R1.59 CC(C)[C@@H]1NC(=O)OC1=O CS-0101223 [1,0,0,1,0,0|2,0,0]=4 61 B10R1.59 CC(C)[C@H]1NC(=O)OC1=O CS-0452486 [1,0,0,1,0,0|2,0,0]=4 62 B10R1.63 CC1(C)CCC(=O)CC1=O CS-0153794 [1,0,0,1,0,0|1,0,0]=3 63 B10R1.63 CC1(C)CCC(=O)OC1=O CS-0153793 [1,0,0,1,0,0|2,0,0]=4 64 B10R1.113 CC(C)[C@H]1COCC(=O)N1 CS-0093792 [1,0,0,1,0,0|2,0,0]=4 65 B10R1.138 CCCC(=O)OC[C@@H]1CO1 CS-0135409 [1,0,0,1,0,0|1,0,1]=4 66 B10R1.138 CCCC(=O)OC[C@H]1CO1 CS-D1790 [1,0,0,1,0,0|1,0,1]=4 67 B10R1.205 C=C(C)C(=O)OCC1CO1 CS-0063449 [0,0,0,1,1,0|2,0,0]=4 68 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 CS-0010862 [0,0,0,1,1,0|1,0,1]=4 69 B10R1.329 CC1(C)CC(=O)C=C(N)C1 CS-0199484 [0,0,0,1,1,0|1,0,1]=4 70 B10R1.329 CC1(C)CC(=O)CC(=O)C1 CS-W016456 [0,0,0,1,1,0|0,0,0]=2 71 B10R1.329 CC1(C)CC(=O)CC(=O)N1 CS-W004228 [0,0,0,1,1,0|1,0,0]=3 72 B10R1.329 CC1(C)CC(=O)NC(=O)C1 CS-W022042 [0,0,0,1,1,0|1,0,0]=3 73 B10R1.329 CC1(C)CC(=O)OC(=O)C1 CS-0186905 [0,0,0,1,1,0|1,0,0]=3 74 B10R1.329 CC1(C)OC(=O)CC(=O)O1 CS-D1154 [0,0,0,1,1,0|1,0,0]=3 75 B10R1.329 CC1=CC(=O)CC(C)(C)C1 CS-0015924 [0,0,0,1,1,0|1,0,1]=4 76 B10R1.329 CC1=CC(=O)OC(C)(C)O1 CS-W016430 [0,0,0,1,1,0|0,0,2]=4 77 B12R1.101 CC(C)CC1CC(=O)OC(=O)C1 CS-0154236 [0,0,0,1,0,1|2,0,0]=4 78 B12R1.354 COC(=O)C1CN(C)CCC1=O CS-0312903 [0,1,0,1,0,0|2,0,0]=4 79 B8R0.8 C=C(C)C(=O)OCCN CS-0112263 [1,0,0,0,1,0|2,0,0]=4 80 B8R0.8 C=C(C)C(=O)OCCO CS-W013439 [1,0,0,0,1,0|2,0,0]=4 81 B8R0.8 CCCCC(=O)C(=O)O CS-0069654 [1,0,0,0,1,0|2,0,0]=4 82 B8R0.28 CC(=O)CCCC(C)C CS-0154232 [1,0,0,0,1,0|0,0,1]=3 83 B8R0.28 CC(=O)\C=C\CC(C)C CS-0657803 [1,0,0,0,1,0|0,0,1]=3 84 B8R0.28 CC(C)OCCC(=O)O CS-0247110 [1,0,0,0,1,0|1,0,1]=4 85 B8R0.23 C=C(CC(C)C)C(C)=O CS-0132337 [0,0,0,0,2,0|1,0,0]=3 86 B8R0.23 CC(=O)C(=O)OC(C)C CS-M0668 [0,0,0,0,2,0|0,0,0]=2 87 B8R0.23 CC(C)CC(=O)C(=O)O CS-W013438 [0,0,0,0,2,0|1,0,0]=3 88 B8R0.23 CC(C)OC(=O)[C@@H](C)N CS-M2998 [0,0,0,0,2,0|1,0,1]=4 89 B8R0.23 CC(C)OC(=O)[C@H](C)N CS-W019924 [0,0,0,0,2,0|1,0,1]=4