0 B6R0.4 C#CCOC(=O)N Z1203578973 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 CC(=O)NCCCl Z57983106 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.4 CC(=O)OCCN Z1973465551 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.4 CC(C)CCCN Z992716898 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.4 CC(C)NCCN Z3375885739 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.4 CC(C)OCCN Z1688198421 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.4 CC(C)OCCO Z104478444 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.4 CC(C)SCCN Z2092369402 [0,0,0,0,0,0|3,1,0]=4 8 B6R0.4 CC(N)CCCN Z2230911100 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.4 CC(O)CCCN Z1198178891 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.4 CCCCC(=O)N Z104476278 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.4 CCCCC(=O)O Z104473312 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.4 CCCNC(=O)C Z33030314 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 CCCOC(=O)N Z1198148877 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.4 N=C(N)NCCN Z2235813444 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.4 NC(=O)CCCO Z1203578394 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.4 NC(=O)NCCF Z1203582184 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.4 NC(=O)OCCO Z1198158440 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.4 NCCCC(=O)N Z398513418 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.4 NCCCC(=O)O Z104475620 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.4 NCCCC(F)F Z1198165810 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.4 NCCCS(=O)O Z1203579399 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.4 NCCNC(=O)N Z1268152381 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.4 NCCOC(=O)N Z1587257433 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.4 NCCSC(F)F Z2681247712 [0,0,0,0,0,0|3,1,0]=4 25 B6R0.4 O=C(O)CCCS Z147642510 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.1 C=C(C)CCN Z1203582475 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 CC(O)CCN Z802904114 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CCOC(=N)N Z1741973543 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 CS(=O)CCN Z802568576 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|1,0,1]=3 38 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.2 C#CCCCN Z1945700461 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.2 C/C=C/CCN Z1268152372 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.2 C=CCCCN Z993058434 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.2 CCCCC=O Z104472992 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.2 CCCCCN Z104472246 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.2 CCOCCN Z271005962 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.2 CCOCCO Z104473122 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.2 CCSCCN Z3061111063 [1,0,0,0,0,0|2,1,0]=4 49 B5R0.2 N#CCCCN Z1649677743 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.2 NCCC#CBr Z4777809731 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.2 NCCCCF Z2177031126 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.2 NCCCCN Z104472592 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.3 C#CC(=O)NCCN Z3038435158 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.3 CCC(=O)NCCN Z1455674775 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.3 CNC(=O)CCCN Z451350656 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.3 CNC(=O)OCCO Z1198150357 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.3 COC(=O)NCCN Z2237317343 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.3 NCCCC(=O)NO Z3488307998 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.4 C#CCCOC(=O)N Z1509495134 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.4 CC(=O)NCCCN Z295405102 [0,1,0,0,0,0|3,0,0]=4 65 B7R0.4 CC(C)COCCN Z594038266 [0,1,0,0,0,0|3,0,0]=4 66 B7R0.4 CC(C)OCCCN Z2677507870 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.4 CCCCOC(=O)N Z104476286 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.4 CCCOCC(=O)O Z406677750 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.4 CNCCCC(=O)O Z57043473 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.4 CNCCNC(=O)C Z1456777974 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.4 NC(=O)COCCO Z1198148880 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.4 NCCCCC(=O)N Z1639630947 [0,1,0,0,0,0|3,0,0]=4 73 B7R0.4 NCCCCC(=O)O Z271111992 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.4 NCCCOC(=O)N Z3337481796 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.4 NCCNCC(=O)O Z2692249907 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.4 NCCOCC(=O)N Z1428158847 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.4 NCCOCC(=O)O Z1650039500 [0,1,0,0,0,0|1,0,1]=3 78 B7R0.4 NCCSCC(=O)O Z1381287295 [0,1,0,0,0,0|1,1,1]=4 79 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,1,0,0,0,0|3,0,0]=4 80 B7R0.4 O=C([O-])COCCO Z1744715804 [0,1,0,0,0,0|2,0,0]=3 81 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.5 CC(CCN)S(=O)C Z1431460424 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.6 CC(=O)OCC(=S)N Z411884132 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.6 CC(N)CCS(=O)C Z1269750451 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.8 CC(C)(C)OCCN Z362798546 [0,1,0,0,0,0|3,0,0]=4 91 B7R0.8 CS(=O)(=O)CCCN Z752370998 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.8 CS(=O)(=O)NCCN Z285224518 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.8 NCCCS(=O)(=O)N Z744592958 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.8 NCCCS(=O)(=O)O Z1203578094 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.8 NCCNS(=O)(=O)N Z3487421172 [0,1,0,0,0,0|2,0,1]=4 96 B7R1.2 CC1CC(CO1)N Z2418414350 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.2 NC1CCS(=O)C1 Z1267860904 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.3 CC1CNCCO1 Z204013884 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.3 O=C1C=CCCO1 Z1255402681 [0,0,0,1,0,0|3,0,0]=4 101 B7R1.3 O=C1CCCCO1 Z432085120 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.3 O=C1CCCNC1 Z3063726909 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.3 O=C1CCCNN1 Z1416174508 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.3 O=C1CNCCN1 Z56968535 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.3 O=C1NCCCO1 Z1198312172 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.3 O=C1NNCCO1 Z2732442016 [0,0,0,1,0,0|2,0,0]=3 107 B7R1.3 OC1CNCCO1 Z1428160315 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.7 NCCOC1CC1 Z2786559006 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.14 O=S1(=O)CCCN1 Z359508120 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,1,0,0|2,0,1]=4 111 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|2,0,0]=4 112 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|2,0,0]=4 113 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|1,0,1]=4 114 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|2,0,0]=4 115 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|2,0,0]=4 116 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|1,0,1]=4 117 B4R0.1 O=[N+]([O-])CBr Z1255485348 [2,0,0,0,0,0|1,0,0]=3 118 B4R0.2 C#CCCN Z1267881669 [2,0,0,0,0,0|2,0,0]=4 119 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.2 COCCO Z104473522 [2,0,0,0,0,0|2,0,0]=4 121 B4R0.2 N#CCCN Z1895741700 [2,0,0,0,0,0|1,0,1]=4 122 B4R0.2 NCCCN Z104478068 [2,0,0,0,0,0|1,0,1]=4 123 B4R0.2 NCCCO Z56771034 [2,0,0,0,0,0|1,0,1]=4 124 B6R0.1 C#CC(=O)OCC Z104478880 [1,1,0,0,0,0|2,0,0]=4 125 B6R0.1 CCOC(=O)CN Z594038186 [1,1,0,0,0,0|2,0,0]=4 126 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|1,0,1]=4 127 B6R0.1 CCOC(=O)NN Z104478458 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.1 CCS(=O)CCN Z1266854910 [1,1,0,0,0,0|2,0,0]=4 129 B6R0.1 CNC(=O)CCN Z425449754 [1,1,0,0,0,0|2,0,0]=4 130 B6R0.2 CC(=O)CC(C)N Z57329385 [1,1,0,0,0,0|2,0,0]=4 131 B6R0.2 CC(N)CC(=O)N Z594220690 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.2 CC(N)CC(=O)O Z147647144 [1,1,0,0,0,0|1,0,1]=4 133 B6R0.2 CC(N)CS(=O)C Z1238793449 [1,1,0,0,0,0|2,0,0]=4 134 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,1,0,0,0,0|1,0,1]=4 135 B6R0.3 CC(CN)C(=O)O Z431542704 [1,1,0,0,0,0|1,0,1]=4 136 B6R0.3 NCC(N)C(=O)O Z2465863279 [1,1,0,0,0,0|1,0,1]=4 137 B6R0.3 NCC(O)C(=O)N Z1889902538 [1,1,0,0,0,0|2,0,0]=4 138 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [1,1,0,0,0,0|1,0,1]=4 139 B6R0.5 CCOS(=O)(=O)N Z2751120716 [1,1,0,0,0,0|1,0,1]=4 140 B6R0.5 CS(=O)(=O)CCN Z265638750 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.5 NCCS(=O)(=O)N Z432066942 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.5 NCCS(=O)(=O)O Z248489432 [1,1,0,0,0,0|1,0,1]=4 143 B6R0.5 O=S(=O)([O-])CCS Z594284202 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.6 C=CCOCCN Z976678988 [1,1,0,0,0,0|2,0,0]=4 145 B6R0.6 CCCOCCN Z4449042604 [1,1,0,0,0,0|2,0,0]=4 146 B8R0.6 CNC(=O)COCCN Z1457935024 [0,2,0,0,0,0|2,0,0]=4 147 B8R0.6 CNC(=O)OCCCN Z3465972444 [0,2,0,0,0,0|2,0,0]=4 148 B8R0.8 CN(C)C(=O)OCCN Z2517220618 [0,2,0,0,0,0|2,0,0]=4 149 B8R0.7 NCCCOCC(=O)O Z3178895188 [0,2,0,0,0,0|1,0,1]=4 150 B8R0.7 NCCOCCC(=O)O Z1262546494 [0,2,0,0,0,0|1,0,1]=4 151 B8R0.21 NCCCOP(=O)(O)O Z1198158583 [0,2,0,0,0,0|0,1,1]=4 152 B8R0.28 CC(N)COCC(=O)O Z3789755599 [0,2,0,0,0,0|1,0,1]=4 153 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|2,0,0]=4 154 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,1,0,0|2,0,0]=4 155 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|2,0,0]=4 156 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|1,0,1]=4 157 B6R1.10 O=S1(=O)CCN1 Z415933552 [1,0,0,1,0,0|1,0,1]=4 158 B6R1.11 O=S([O-])C1CC1 Z1741965693 [1,0,0,1,0,0|2,0,0]=4 159 B6R1.1 C1COCCN1 Z57127568 [1,0,0,1,0,0|2,0,0]=4 160 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,1,0,1,0,0|2,0,0]=4 161 B8R1.1 NCC1CNC(=O)O1 Z2028214442 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.1 NCC1COC(=O)N1 Z2130644119 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.1 NCC1COC(=O)O1 Z3474887077 [0,1,0,1,0,0|1,0,1]=4 165 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [0,1,0,1,0,0|1,0,1]=4 166 B8R1.50 CN1OCC(C1=O)N Z4252149149 [0,1,0,1,0,0|1,0,1]=4 167 B8R1.35 O=[N+]([O-])CCC1CC1 Z2732442774 [0,1,0,1,0,0|2,0,0]=4