0 B7R0.18 C#CC(N)(CO)CO Z4890240833 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.18 CC(CN)(CN)CN Z3025090007 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.18 CC(CO)(CO)CO Z299622542 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.18 CCC(C)(CC)CN Z2941505587 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.18 CCC(C)(CN)CO Z1203583788 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.18 CCC(N)(C#N)CC Z444311662 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.18 CCC(N)(CC)CO Z734151048 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.18 CCC(O)(CC)CC Z449374516 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.18 CCC(O)(CC)CN Z419084794 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.18 NC(CO)(CO)CO Z104509094 [0,0,0,0,0,0|0,0,0]=0 10 B7R0.18 NCC(N)(CO)CO Z4628649688 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.18 NCC(O)(CO)CO Z3268384933 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.8 C=CC(C)(N)CC Z3042074270 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.8 CC(C)(CN)CO Z3247605488 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.8 CC(N)(C#N)CO Z2082998957 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.8 CCC(C)(C)CO Z995039230 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.8 CCC(C)(N)CC Z1267881628 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.8 CCC(C)(N)CN Z425861002 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.8 CCC(C)(N)CO Z734150850 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.8 CCC(C)(O)CC Z449374480 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.8 CCC(C)(O)CN Z419085064 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.8 CNC(C)(C)CO Z425727892 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.8 COC(C)(C)CO Z1255430497 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.9 CCC(CO)CO Z1198261463 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.9 CCC(CO)OC Z1255373272 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.9 CNC(CO)CO Z1939437574 [1,0,0,0,0,0|2,0,0]=3 26 B8R0.10 CCC(CC)(CC)CN Z1416200963 [0,1,0,0,0,0|3,0,0]=4 27 B8R0.10 CCC(CC)(CC)CO Z1270136301 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.10 CCC(CC)(CN)CO Z945434714 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.10 CCC(CO)(CO)CO Z104473550 [0,1,0,0,0,0|1,0,0]=2 30 B8R0.10 NCC(CN)(CN)CN Z2681267399 [0,1,0,0,0,0|3,0,0]=4 31 B8R0.10 NCC(CN)(CN)CO Z3992981966 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.10 NCC(CN)(CO)CO Z2197092210 [0,1,0,0,0,0|1,0,0]=2 33 B8R0.10 OCC(CO)(CO)CO Z295122660 [0,1,0,0,0,0|1,0,0]=2 34 B8R0.31 CCC(N)(CC)CCN Z5076669839 [0,1,0,0,0,0|3,0,0]=4 35 B8R0.31 CNC(C)(CO)COC Z992449352 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.31 COCC(C)(CO)CO Z1627202220 [0,1,0,0,0,0|1,0,0]=2 37 B8R0.31 COCC(O)(CN)CO Z3446469121 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.36 CCC(C)(CN)C(C)O Z1259285407 [0,1,0,0,0,0|3,0,0]=4 39 B8R0.36 CCC(N)(CC)C(C)C Z449374562 [0,1,0,0,0,0|3,0,0]=4 40 B8R0.36 CN(C)C(C)(CO)CO Z2235386894 [0,1,0,0,0,0|3,0,0]=4 41 B8R1.52 C#CC1(CCOC1)N Z4745354549 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.52 CC1(CCCC1)CO Z1255466752 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.52 CC1(CCNC1)CO Z1270138787 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.52 CC1(CCOC1)CN Z995185734 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.52 CC1(CCOC1)CO Z1270138617 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.52 CCC1(CCCC1)N Z2235330317 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.52 CCC1(CCOC1)N Z2010009859 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.52 NC1(CCCC1)CO Z734150968 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.52 NCC1(CCCC1)N Z1198107484 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.52 NCC1(CCOC1)F Z2830496127 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.52 NCC1(CCOC1)O Z1124555593 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.52 OCC1(CCCC1)O Z1258947137 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.52 OCC1(CCOC1)O Z1537124515 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.60 OCC1(CCN1)CO Z4371640736 [0,0,0,1,0,0|1,0,0]=2 55 B8R1.60 OCC1(CNC1)CO Z2855995961 [0,0,0,1,0,0|2,0,0]=3 56 B5R0.3 C#CC(N)CO Z2235790715 [2,0,0,0,0,0|1,0,1]=4 57 B5R0.3 C=CC(N)CO Z2146514374 [2,0,0,0,0,0|1,0,1]=4 58 B5R0.3 CC(C#N)CO Z406338220 [2,0,0,0,0,0|1,0,1]=4 59 B5R0.3 CC(CN)CN Z951173758 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.3 CC(CN)CO Z406342068 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.3 CC(CO)CS Z1262475362 [2,0,0,0,0,0|0,1,0]=3 62 B5R0.3 CCC(C)CN Z2350903977 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.3 CCC(N)CN Z1263714131 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.3 CCC(N)CO Z104474862 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.3 CCC(O)CN Z419084746 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.3 CCC(O)CO Z600450538 [2,0,0,0,0,0|1,0,0]=3 67 B5R0.3 CC[C@@H](N)CO Z1203162359 [2,0,0,0,0,0|1,0,0]=3 68 B5R0.3 CC[C@H](N)CO Z1203162358 [2,0,0,0,0,0|1,0,0]=3 69 B5R0.3 COC(C)CO Z1198150719 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.3 CSC(C)CO Z1273053291 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.3 N#CC(N)CO Z2301438409 [2,0,0,0,0,0|1,0,1]=4 72 B5R0.3 NC(CO)CO Z1203577940 [2,0,0,0,0,0|0,0,0]=2 73 B5R0.3 NCC(N)CN Z1203578196 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.3 NCC(O)CF Z2311274712 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.3 O=C(CO)CO Z1255442144 [2,0,0,0,0,0|0,0,2]=4 76 B5R0.3 OCC(O)CO Z104473548 [2,0,0,0,0,0|0,0,0]=2 77 B5R0.3 OCC(O)CS Z1255382958 [2,0,0,0,0,0|0,1,0]=3 78 B5R0.4 C=CC(C)(C)N Z2940715337 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.4 CC(C)(C)CN Z291234094 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.4 CC(C)(C)CO Z397587176 [2,0,0,0,0,0|1,0,0]=3 81 B5R0.4 CC(C)(N)C#N Z57176535 [2,0,0,0,0,0|1,0,1]=4 82 B5R0.4 CC(C)(N)CN Z1266854946 [2,0,0,0,0,0|1,0,0]=3 83 B5R0.4 CC(C)(O)CO Z600454414 [2,0,0,0,0,0|1,0,0]=3 84 B5R0.4 CCC(C)(C)N Z104480062 [2,0,0,0,0,0|1,0,0]=3 85 B5R0.4 CCC(C)(C)O Z104473496 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.11 C=CCC(C)(C)CO Z1255384026 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.11 CC(C)(CN)CCO Z1203583786 [1,1,0,0,0,0|2,0,0]=4 88 B7R0.11 CC(C)(CO)CC#N Z1198174423 [1,1,0,0,0,0|2,0,0]=4 89 B7R0.11 CC(C)(CO)CCN Z2234185673 [1,1,0,0,0,0|2,0,0]=4 90 B7R0.11 CC(O)(CO)CCO Z1238572721 [1,1,0,0,0,0|1,0,0]=3 91 B7R0.11 CCC(C)(C)CCO Z1198160090 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.11 CCC(C)(N)COC Z4185518785 [1,1,0,0,0,0|1,0,0]=3 93 B7R0.11 CCCC(C)(N)CO Z734150846 [1,1,0,0,0,0|1,0,0]=3 94 B7R0.11 CCNC(C)(C)CO Z286489718 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.11 CCOC(C)(C)CO Z1251352968 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.11 CNCC(C)(C)CO Z1198235262 [1,1,0,0,0,0|2,0,0]=4 97 B7R0.11 COCC(C)(C)CN Z2188171555 [1,1,0,0,0,0|2,0,0]=4 98 B7R0.11 COCC(C)(C)CO Z1198238137 [1,1,0,0,0,0|1,0,0]=3 99 B7R0.11 COCC(C)(N)C#N Z898336310 [1,1,0,0,0,0|1,0,1]=4 100 B7R0.11 COCC(C)(N)CN Z992447310 [1,1,0,0,0,0|1,0,0]=3 101 B7R0.11 COCC(C)(N)CO Z992449368 [1,1,0,0,0,0|0,0,0]=2 102 B7R0.11 COCC(C)(O)CN Z992449016 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.11 OCCC(F)(F)CO Z1896514152 [1,1,0,0,0,0|2,0,0]=4 104 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [1,1,0,0,0,0|1,0,1]=4 105 B7R0.13 CC(C)C(C)(N)CO Z2160887261 [1,1,0,0,0,0|1,0,0]=3 106 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [1,1,0,0,0,0|1,0,1]=4 107 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [1,1,0,0,0,0|0,0,1]=3 108 B7R0.13 CC(N)(CO)C(F)F Z3487421443 [1,1,0,0,0,0|1,0,0]=3 109 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [1,1,0,0,0,0|1,0,1]=4 110 B7R0.13 CC(O)C(C)(O)CO Z1896353165 [1,1,0,0,0,0|1,0,0]=3 111 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [1,1,0,0,0,0|1,0,1]=4 112 B7R0.12 CCC(CC)CCO Z1198174469 [1,1,0,0,0,0|2,0,0]=4 113 B7R0.12 O=CNC(CO)CO Z1259117052 [1,1,0,0,0,0|0,0,2]=4 114 B9R0.62 CCC(CC)(CN)CCO Z1270248813 [0,2,0,0,0,0|2,0,0]=4 115 B9R0.78 O=[N+]([O-])C(CO)(CO)CO Z57124105 [0,2,0,0,0,0|0,0,1]=3 116 B9R0.59 COCC(C)(CN)COC Z6047453728 [0,2,0,0,0,0|2,0,0]=4 117 B9R0.59 COCC(O)(CN)COC Z3824492559 [0,2,0,0,0,0|2,0,0]=4 118 B9R0.63 CC(CN)(CO)CC(=O)O Z1753012993 [0,2,0,0,0,0|2,0,0]=4 119 B9R0.74 CCC(N)(COC)C(=O)O Z2217033049 [0,2,0,0,0,0|1,0,1]=4 120 B9R0.73 CC(C)(C)C(C)(CO)CO Z1725963225 [0,2,0,0,0,0|2,0,0]=4 121 B7R1.14 CC1(CC=CC1)N Z2470136742 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.14 CC1(CCOC1)N Z1895741238 [1,0,0,1,0,0|1,0,0]=3 123 B7R1.14 CC1(CCSC1)N Z4990294346 [1,0,0,1,0,0|1,1,0]=4 124 B7R1.14 CC1(CNOC1)O Z3035808330 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.25 CCC1(CCC1)N Z1333043532 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.25 NC1(CCC1)CO Z1203581511 [1,0,0,1,0,0|1,0,0]=3 127 B7R1.25 OCC1(CCC1)O Z1537124745 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.29 NCC1(CC1)CO Z945434614 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.29 OCC1(CC1)CO Z1255465434 [1,0,0,1,0,0|1,0,0]=3 130 B7R1.1 OCC1CC=CC1 Z1201622687 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.1 OCC1CCCC1 Z397587414 [1,0,0,1,0,0|2,0,0]=4 132 B7R1.1 OCC1CCNC1 Z976722188 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.1 OCC1CCOC1 Z335245192 [1,0,0,1,0,0|1,0,0]=3 134 B7R1.1 OCC1CCSC1 Z1201679855 [1,0,0,1,0,0|1,1,0]=4 135 B9R1.204 CCC1(CCCN1)CO Z1235967861 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.204 CCC1(CCOC1)CN Z5336307441 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.204 NCC1(CCCC1)CO Z1718490164 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.204 NCC1(CSSC1)CO Z5403007904 [0,1,0,1,0,0|0,2,0]=4 139 B9R1.204 OCC1(CCCO1)CO Z1726051641 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.204 OCC1(CSSC1)CO Z1896551233 [0,1,0,1,0,0|1,1,0]=4 141 B9R1.118 CC1(CCOCC1)CO Z1255447679 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.118 NC1(CCCCC1)CO Z2417556977 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.118 NC1(CCOCC1)CO Z234898275 [0,1,0,1,0,0|1,0,0]=3 144 B9R1.118 NC1(CCSCC1)CO Z2256111066 [0,1,0,1,0,0|1,1,0]=4 145 B9R1.118 NCC1(CCOCC1)N Z440604832 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.118 OCC1(CCOCC1)O Z1537124723 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.125 CC1CCC(C1)(N)CO Z4381130473 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.134 C=CCC1(CCOC1)N Z4052247632 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.134 CCCC1(CCOC1)N Z1258560246 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.134 COCC1(CCOC1)N Z2242050896 [0,1,0,1,0,0|1,0,0]=3 151 B9R1.175 COCC1(CCC1)CO Z1627199945 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [0,1,0,1,0,0|1,0,1]=4 153 B9R2.110 NC12CCC(C1)OC2 Z3444783709 [0,0,0,2,0,0|2,0,0]=4