0 B5R0.3 CC(CN)CCl CS-0038279 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 CCC(C)NN CS-0035425 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.3 CCC(F)CN CS-0104693 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 CO[C@H](C)CO CS-W011349 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.3 OCC(O)CO CS-B1784 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.3 OC[C@@H](O)CF CS-0022575 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 OC[C@H](O)CF CS-0022569 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [0,0,0,0,0,0|1,0,2]=3 8 B4R0.1 C=NN(C)C CS-M3085 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 C[C@@H](N)CF CS-0104382 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 C[C@H](N)CF CS-0090252 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 NC(=O)CI CS-0020050 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 OCC(F)F CS-0020170 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.2 C=CCCN CS-0028781 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.2 C=CCNN CS-0038154 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.2 ClCCCI CS-W018493 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.3 CC(C)[C@H](N)CO CS-W020370 [0,1,0,0,0,0|1,0,2]=4 17 B6R0.3 CNC(C)C(C)C CS-W000156 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [0,1,0,0,0,0|1,0,0]=2 19 B6R0.8 CC(C)(C#N)CO CS-W018923 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.8 CNC(C)(C)CO CS-W018699 [0,1,0,0,0,0|1,0,2]=4 21 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [0,0,0,1,0,0|2,0,0]=3 22 B6R1.2 FC1CCNC1 CS-W005668 [0,0,0,1,0,0|2,0,1]=4 23 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [0,0,0,1,0,0|2,0,1]=4 24 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [0,0,0,1,0,0|1,0,2]=4 25 B6R1.2 OC1CCOC1 CS-M0786 [0,0,0,1,0,0|1,0,2]=4 26 B6R1.2 O[C@H]1CCOC1 CS-D0600 [0,0,0,1,0,0|1,0,2]=4 27 B6R1.4 CC1OCC1=O CS-0051833 [0,0,0,1,0,0|1,0,0]=2 28 B6R1.6 N#CC1CCC1 CS-0007644 [0,0,0,1,0,0|1,0,1]=3 29 B6R1.6 N#CC1CNC1 CS-W018612 [0,0,0,1,0,0|2,0,1]=4 30 B6R1.6 N#CC1COC1 CS-0043332 [0,0,0,1,0,0|2,0,1]=4 31 B6R1.6 NCC1CCC1 CS-W004986 [0,0,0,1,0,0|1,0,1]=3 32 B6R1.6 NCC1CCC1 CS-W022619 [0,0,0,1,0,0|1,0,1]=3 33 B6R1.6 NNC1CCC1 CS-D1710 [0,0,0,1,0,0|2,0,0]=3 34 B6R1.7 CC1(CN)CC1 CS-0037189 [0,0,0,1,0,0|1,0,1]=3 35 B6R1.7 CC1(CO)N=N1 CS-0101345 [0,0,0,1,0,0|3,0,0]=4 36 B6R1.7 NCC1(O)CC1 CS-W005471 [0,0,0,1,0,0|2,0,1]=4 37 B6R1.7 OCC1(O)CC1 CS-0037029 [0,0,0,1,0,0|1,0,2]=4 38 B6R1.8 C[C@@H]1C[C@H]1CN CS-0039743 [0,0,0,1,0,0|1,0,1]=3 39 B5R0.1 C=CC[C@H](C)O CS-0081915 [1,1,0,0,0,0|0,0,2]=4 40 B5R0.1 CC(F)CCN CS-0104778 [1,1,0,0,0,0|1,0,0]=3 41 B5R0.1 CCC[C@H](C)N CS-W006528 [1,1,0,0,0,0|1,0,0]=3 42 B5R0.1 CN(C)CCBr CS-W004693 [1,1,0,0,0,0|1,0,1]=4 43 B5R0.1 COC[C@@H](C)N CS-W019198 [1,1,0,0,0,0|1,0,0]=3 44 B5R0.1 C[C@H](N)CCO CS-W019851 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.1 C[C@H](O)CCO CS-W016671 [1,1,0,0,0,0|0,0,1]=3 46 B5R0.4 CC(C)(F)CO CS-D1107 [1,1,0,0,0,0|0,0,2]=4 47 B5R0.4 CC(F)(F)CN CS-0028374 [1,1,0,0,0,0|2,0,0]=4 48 B5R0.5 CC(=O)C(C)N CS-0105630 [1,1,0,0,0,0|0,0,1]=3 49 B5R0.5 CC(C)C(N)=S CS-W011304 [1,1,0,0,0,0|0,1,0]=3 50 B5R0.5 CC(C)S(=O)[O-] CS-M3052 [1,1,0,0,0,0|1,0,0]=3 51 B5R0.5 CC(O)C(=O)[O-] CS-0021602 [1,1,0,0,0,0|1,0,0]=3 52 B5R0.5 C[C@H](N)C(N)=O CS-0005782 [1,1,0,0,0,0|1,0,0]=3 53 B5R0.2 CNCCCO CS-W007469 [1,1,0,0,0,0|0,0,2]=4 54 B5R0.2 COCCNN CS-0035845 [1,1,0,0,0,0|2,0,0]=4 55 B5R0.2 NNCCCO CS-0047562 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.2 CCC(N)CC(=O)O CS-W021843 [0,2,0,0,0,0|1,0,0]=3 57 B7R0.5 C#CC[C@@H](N)C(=O)O CS-W006437 [0,2,0,0,0,0|1,0,1]=4 58 B7R0.5 CCOC(=O)C(=O)O CS-W018770 [0,2,0,0,0,0|1,0,1]=4 59 B7R0.5 COC[C@@H](N)C(=O)O CS-M1253 [0,2,0,0,0,0|1,0,0]=3 60 B7R0.5 COC[C@H](N)C(=O)O CS-0031368 [0,2,0,0,0,0|1,0,0]=3 61 B7R0.5 NCCC(F)C(=O)O CS-0094454 [0,2,0,0,0,0|1,0,0]=3 62 B7R0.5 N[C@@H](CCS)C(=O)O CS-W011063 [0,2,0,0,0,0|1,0,0]=3 63 B7R0.5 N[C@H](CCO)C(=O)O CS-W011215 [0,2,0,0,0,0|1,0,0]=3 64 B7R0.5 [C@H](N)(CC#C)C(=O)O CS-W006064 [0,2,0,0,0,0|1,0,1]=4 65 B7R0.5 [C@H](N)(COC)C(=O)O CS-W006151 [0,2,0,0,0,0|1,0,0]=3 66 B7R0.10 CN[C@@H](C)C(=O)OC CS-0068182 [0,2,0,0,0,0|1,0,0]=3 67 B7R0.10 COC(=O)C(F)CO CS-0027052 [0,2,0,0,0,0|2,0,0]=4 68 B7R0.10 COC(=O)C(O)CN CS-0042395 [0,2,0,0,0,0|2,0,0]=4 69 B7R0.10 COC(=O)[C@H](O)CO CS-W023221 [0,2,0,0,0,0|2,0,0]=4 70 B7R0.11 CC(C)(CO)CCO CS-0046905 [0,2,0,0,0,0|0,0,2]=4 71 B7R0.13 C=CC(C)(C)C(=O)O CS-W006345 [0,2,0,0,0,0|0,0,2]=4 72 B7R0.13 CC(C)(C#N)C(=O)O CS-0066959 [0,2,0,0,0,0|1,0,1]=4 73 B7R0.13 COC(C)(C)C(=O)O CS-0046912 [0,2,0,0,0,0|1,0,0]=3 74 B7R0.13 C[C@](N)(CO)C(=O)O CS-W008467 [0,2,0,0,0,0|1,0,0]=3 75 B7R0.13 C[C@](O)(CBr)C(=O)O CS-W019154 [0,2,0,0,0,0|1,0,0]=3 76 B7R0.13 NCC(F)(F)C(=O)O CS-0089610 [0,2,0,0,0,0|2,0,0]=4 77 B7R0.16 CC(C)[C@@H](O)C(=O)O CS-B0167 [0,2,0,0,0,0|1,0,0]=3 78 B5R1.2 O=C1CCN1 CS-W011364 [1,0,0,1,0,0|1,0,1]=4 79 B5R1.2 OC1CNC1 CS-D0673 [1,0,0,1,0,0|1,0,1]=4 80 B5R1.3 NNC1CC1 CS-B1049 [1,0,0,1,0,0|2,0,0]=4 81 B5R1.3 O=CC1CC1 CS-W013759 [1,0,0,1,0,0|0,0,0]=2 82 B5R1.3 OC[C@H]1CO1 CS-0001461 [1,0,0,1,0,0|1,0,1]=4 83 B5R1.4 CC1CC1N CS-0047191 [1,0,0,1,0,0|1,0,0]=3 84 B7R1.1 N#C[C@H]1CCNC1 CS-0053245 [0,1,0,1,0,0|1,0,1]=4 85 B7R1.1 NCC1CCCC1 CS-D0472 [0,1,0,1,0,0|1,0,1]=4 86 B7R1.1 NC[C@@H]1CCOC1 CS-0053039 [0,1,0,1,0,0|0,0,2]=4 87 B7R1.1 NC[C@H]1CCOC1 CS-0053315 [0,1,0,1,0,0|0,0,2]=4 88 B7R1.1 OCC1CCCN1 CS-W007622 [0,1,0,1,0,0|0,0,2]=4 89 B7R1.1 OCC1CCNC1 CS-W019882 [0,1,0,1,0,0|0,0,2]=4 90 B7R1.1 OC[C@H]1CCNC1 CS-W008960 [0,1,0,1,0,0|0,0,2]=4 91 B7R1.1 [C@H]1(CO)CCCO1 CS-W013695 [0,1,0,1,0,0|0,0,2]=4 92 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [0,1,0,1,0,0|0,0,1]=3 93 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [0,1,0,1,0,0|0,0,0]=2 94 B7R1.2 NC1CNC(=O)C1 CS-W023257 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.3 C[C@@H]1CCCNC1 CS-W021135 [0,1,0,1,0,0|1,0,1]=4 96 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [0,1,0,1,0,0|1,0,1]=4 97 B7R1.3 C[C@@H]1COCCN1 CS-D1634 [0,1,0,1,0,0|0,0,2]=4 98 B7R1.3 C[C@H]1COCCN1 CS-M0392 [0,1,0,1,0,0|0,0,2]=4 99 B7R1.3 C[C@H]1COCCN1 CS-W008644 [0,1,0,1,0,0|0,0,2]=4 100 B7R1.4 CN1CCNC1=O CS-W005507 [0,1,0,1,0,0|1,0,0]=3 101 B7R1.4 C[C@H]1CCC[C@H]1N CS-0079949 [0,1,0,1,0,0|1,0,1]=4 102 B7R1.4 C[C@H]1CCC[C@H]1O CS-0036366 [0,1,0,1,0,0|0,0,2]=4 103 B7R1.4 C[C@H]1COC[C@@H]1O CS-0037574 [0,1,0,1,0,0|0,0,2]=4 104 B7R1.4 C[C@H]1OCC[C@H]1N CS-0038438 [0,1,0,1,0,0|1,0,1]=4 105 B7R1.4 N[C@@H]1CCNC1=O CS-0094049 [0,1,0,1,0,0|1,0,0]=3 106 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [0,1,0,1,0,0|1,0,0]=3 107 B7R1.6 COCC1CNC1 CS-W023140 [0,1,0,1,0,0|1,0,1]=4 108 B7R1.6 N#CCC1CCC1 CS-0079983 [0,1,0,1,0,0|1,0,1]=4 109 B7R1.10 CC1CC(CN)C1 CS-0036376 [0,1,0,1,0,0|1,0,1]=4 110 B7R1.10 CNC1CC(C)C1 CS-0036338 [0,1,0,1,0,0|2,0,0]=4 111 B7R1.10 CO[C@H]1C[C@H](N)C1 CS-0045545 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.21 CC1(CCN)N=N1 CS-0101343 [0,1,0,1,0,0|2,0,0]=4 113 B7R1.25 CC1(C=O)COC1 CS-W019097 [0,1,0,1,0,0|0,0,0]=2 114 B7R1.25 COC1(C)CNC1 CS-0035135 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.25 NC1(CO)CCC1 CS-0053661 [0,1,0,1,0,0|0,0,2]=4 116 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-W020398 [0,1,0,1,0,0|1,0,0]=3 117 B7R1.18 CC(N)C1CCC1 CS-0052584 [0,1,0,1,0,0|1,0,1]=4 118 B7R1.18 O=C(O)C1CNC1 CS-0067915 [0,1,0,1,0,0|1,0,0]=3 119 B7R1.18 O=C(O)[C@@H]1CCN1 CS-0031389 [0,1,0,1,0,0|1,0,0]=3 120 B7R1.19 NC(=O)C1(N)CC1 CS-0036086 [0,1,0,1,0,0|1,0,0]=3 121 B7R1.29 N#CC1(CN)CC1 CS-0036989 [0,1,0,1,0,0|1,0,1]=4 122 B7R1.29 N#CC1(CO)CC1 CS-D0565 [0,1,0,1,0,0|1,0,1]=4