0 B8R0.7 CC#CCCCC(=O)O Z1205494323 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.7 CC(=O)CCCCC#N Z2350907379 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.7 CC(=O)NCCCCN Z600498842 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.7 CC(C)OCCCC#N Z295206484 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.7 CC(C)OCCCCO Z993012606 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.7 CCCCCCC(=N)N Z4088236340 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.7 CCCCCCC(=O)O Z104474412 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.7 CCCCCCC(C)N Z104477186 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.7 CCCCCNC(=N)N Z1090000368 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.7 CCCCNCC(=O)N Z398513412 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.7 CCCCOCC(=O)O Z409190912 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.7 CCCCSCC(=O)O Z239951532 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.7 CCCNCCC(=O)O Z2944330072 [0,0,0,0,0,0|4,0,0]=4 13 B8R0.7 CCNCCCC(=O)O Z2937339976 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.7 CCNCCNC(=O)C Z123868526 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.7 CCOCCCC(=O)O Z316258950 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.7 CCOCCNC(=O)N Z432417116 [0,0,0,0,0,0|4,0,0]=4 17 B8R0.7 CNCCCCC(=O)O Z3034937142 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.7 CNCCCCC(C)C Z5530305220 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.7 CNCCCCN(C)C Z594229344 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.7 CNCCCNC(=O)C Z1269638441 [0,0,0,0,0,0|2,0,0]=2 21 B8R0.7 COCCCCC(=O)O Z362633826 [0,0,0,0,0,0|2,1,0]=3 22 B8R0.7 COCCCNC(=N)N Z1269638449 [0,0,0,0,0,0|3,1,0]=4 23 B8R0.7 COCCCNC(=O)N Z56979275 [0,0,0,0,0,0|2,1,0]=3 24 B8R0.7 COCCCOC(=O)C Z1123440688 [0,0,0,0,0,0|0,1,0]=1 25 B8R0.7 COCCNCC(=O)N Z1262250392 [0,0,0,0,0,0|3,1,0]=4 26 B8R0.7 COCCNCC(=O)O Z1276446903 [0,0,0,0,0,0|3,1,0]=4 27 B8R0.7 COCCOCC(=O)C Z447894346 [0,0,0,0,0,0|2,1,0]=3 28 B8R0.7 COCCOCC(=O)O Z104477918 [0,0,0,0,0,0|3,1,0]=4 29 B8R0.7 COCCSCC(=O)O Z167837764 [0,0,0,0,0,0|3,1,0]=4 30 B8R0.7 CSCCCCC(=O)O Z732206636 [0,0,0,0,0,0|2,0,0]=2 31 B8R0.7 CSCCNCC(=O)O Z2512524162 [0,0,0,0,0,0|3,0,0]=3 32 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,0,0,0,0,0|4,0,0]=4 33 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,0,0,0,0,0|4,0,0]=4 34 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,0,0,0,0,0|4,0,0]=4 35 B7R0.1 CCCCCCNC Z5419328797 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.1 CCNCCOCC Z138138014 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.1 CCOCCCC#N Z295205414 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.1 CCOCCCCO Z993012560 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.1 CNCCCCOC Z875082126 [1,0,0,0,0,0|2,1,0]=4 40 B7R0.1 CSCCCCC#N Z823282284 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.1 CSCCCCCN Z823285026 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.1 CSCCCCCO Z968557058 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.1 CSCCCCSC Z1198148193 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.1 CSCCCN=C=S Z104495408 [1,0,0,0,0,0|1,1,1]=4 45 B7R0.4 C#CCCNC(=O)C Z1188389866 [1,0,0,0,0,0|1,0,2]=4 46 B7R0.4 C#CCCOC(=O)N Z1509495134 [1,0,0,0,0,0|1,0,2]=4 47 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.4 CC#CCCC(=O)O Z1205493674 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.4 CC(=O)NCCCN Z295405102 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.4 CC(=O)NCCCO Z353570744 [1,0,0,0,0,0|1,1,0]=3 51 B7R0.4 CC(C)OCCCN Z2677507870 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.4 CC(C)OCCCO Z1080358780 [1,0,0,0,0,0|1,1,1]=4 53 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.4 CCCCCC(=N)N Z3490473907 [1,0,0,0,0,0|3,0,0]=4 55 B7R0.4 CCCCCC(=O)O Z104503532 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.4 CCCCCC(C)N Z104495176 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.4 CCCCNC(=S)N Z56930717 [1,0,0,0,0,0|2,1,0]=4 58 B7R0.4 CCCCOC(=O)N Z104476286 [1,0,0,0,0,0|1,0,0]=2 59 B7R0.4 CCCNCC(=O)N Z2211231296 [1,0,0,0,0,0|3,0,0]=4 60 B7R0.4 CCCNCC(=O)O Z744582718 [1,0,0,0,0,0|3,0,0]=4 61 B7R0.4 CCCOCC(=O)O Z406677750 [1,0,0,0,0,0|3,0,0]=4 62 B7R0.4 CCCSCC(=O)C Z447929234 [1,0,0,0,0,0|2,0,0]=3 63 B7R0.4 CCCSCC(=O)O Z228425458 [1,0,0,0,0,0|3,0,0]=4 64 B7R0.4 CCNCCC(=O)N Z2681234913 [1,0,0,0,0,0|3,0,0]=4 65 B7R0.4 CCNCCC(=O)O Z1869802098 [1,0,0,0,0,0|3,0,0]=4 66 B7R0.4 CCOCCC(=O)O Z316258938 [1,0,0,0,0,0|3,0,0]=4 67 B7R0.4 CCSCCC(=O)O Z197206046 [1,0,0,0,0,0|3,0,0]=4 68 B7R0.4 CNCCCC(=O)O Z57043473 [1,0,0,0,0,0|2,0,0]=3 69 B7R0.4 CNCCCN(C)C Z138118060 [1,0,0,0,0,0|3,0,0]=4 70 B7R0.4 CNCCNC(=O)C Z1456777974 [1,0,0,0,0,0|2,0,0]=3 71 B7R0.4 COCCCC(=N)N Z1267882086 [1,0,0,0,0,0|2,1,0]=4 72 B7R0.4 COCCCC(=O)C Z406376722 [1,0,0,0,0,0|0,1,0]=2 73 B7R0.4 COCCCC(=O)O Z316258912 [1,0,0,0,0,0|1,1,0]=3 74 B7R0.4 COCCCC(C)O Z854048762 [1,0,0,0,0,0|0,1,2]=4 75 B7R0.4 COCCCN(C)C Z2894648941 [1,0,0,0,0,0|2,1,0]=4 76 B7R0.4 COCCNC(=O)N Z56904572 [1,0,0,0,0,0|2,1,0]=4 77 B7R0.4 CSCCCC(=O)O Z54602911 [1,0,0,0,0,0|1,0,0]=2 78 B7R0.4 N#CCCCC(=O)O Z1198152304 [1,0,0,0,0,0|3,0,0]=4 79 B7R0.4 NC(=O)NCCCO Z198194722 [1,0,0,0,0,0|2,1,0]=4 80 B7R0.4 NCCCCC(=O)N Z1639630947 [1,0,0,0,0,0|3,0,0]=4 81 B7R0.4 NCCCCC(=O)O Z271111992 [1,0,0,0,0,0|3,0,0]=4 82 B7R0.4 NCCCOC(=O)N Z3337481796 [1,0,0,0,0,0|2,0,0]=3 83 B7R0.4 O=C(O)CCCCBr Z104479696 [1,0,0,0,0,0|3,0,0]=4 84 B7R0.4 O=C(O)CCCCS Z808230828 [1,0,0,0,0,0|2,0,0]=3 85 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,0,0,0,0,0|2,1,0]=4 86 B9R0.2 CC(=O)NCCOCCO Z353623894 [0,1,0,0,0,0|3,0,0]=4 87 B9R0.2 CCCCCCCC(=O)O Z104495238 [0,1,0,0,0,0|3,0,0]=4 88 B9R0.2 CCCCCNCC(=O)N Z104536260 [0,1,0,0,0,0|3,0,0]=4 89 B9R0.2 CCCCCOCC(=O)O Z409357548 [0,1,0,0,0,0|2,0,0]=3 90 B9R0.2 CCCCSCCC(=O)O Z149304844 [0,1,0,0,0,0|3,0,0]=4 91 B9R0.2 CCNCCCCC(=O)O Z2893830564 [0,1,0,0,0,0|3,0,0]=4 92 B9R0.2 CCOCCCNC(=O)N Z56985786 [0,1,0,0,0,0|2,1,0]=4 93 B9R0.2 CCOCCOCC(=O)O Z316258972 [0,1,0,0,0,0|3,0,0]=4 94 B9R0.2 COCCNCCC(=O)O Z53116030 [0,1,0,0,0,0|2,1,0]=4 95 B9R0.2 COCCOCCC(=O)O Z316259200 [0,1,0,0,0,0|2,1,0]=4 96 B9R0.2 NCCCCCCC(=O)O Z56896351 [0,1,0,0,0,0|3,0,0]=4 97 B9R0.46 C=CC(=O)OCCNCC Z5030116647 [0,1,0,0,0,0|2,0,1]=4 98 B9R0.46 CCCCCNC(=O)CCl Z147647946 [0,1,0,0,0,0|2,0,0]=3 99 B9R0.46 CCCCCNC(=O)NN Z234895165 [0,1,0,0,0,0|3,0,0]=4 100 B9R0.46 CNCCCCC(=O)NC Z5446045777 [0,1,0,0,0,0|2,0,0]=3 101 B9R0.46 COC(=O)CCCCCN Z57012282 [0,1,0,0,0,0|3,0,0]=4 102 B9R0.46 COCCCNC(=O)CCl Z56886372 [0,1,0,0,0,0|1,1,0]=3 103 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [0,1,0,0,0,0|3,0,0]=4 104 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [0,1,0,0,0,0|2,1,0]=4 105 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [0,1,0,0,0,0|2,0,0]=3 106 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [0,1,0,0,0,0|3,0,0]=4 107 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [0,1,0,0,0,0|3,0,0]=4 108 B9R0.55 CN(C)CCCCC(=O)O Z1259273153 [0,1,0,0,0,0|3,0,0]=4 109 B9R0.55 CN(C)CCCNC(=O)N Z935140758 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.2 CCC1CC(=O)CCO1 Z1192338795 [0,0,0,1,0,0|3,0,0]=4 111 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [0,0,0,1,0,0|2,0,0]=3 112 B9R1.2 CCC1CCNC(=O)C1 Z1203732244 [0,0,0,1,0,0|2,0,0]=3 113 B9R1.2 CNC1CCOC(C1)C Z4657959047 [0,0,0,1,0,0|2,0,1]=4 114 B9R1.2 COC1CCCC(=O)N1 Z1203731823 [0,0,0,1,0,0|2,1,0]=4 115 B9R1.2 CSC1CCCC(C1)N Z1219048788 [0,0,0,1,0,0|2,0,1]=4 116 B9R1.2 N#CC1CCCC(=O)C1 Z907709920 [0,0,0,1,0,0|3,0,0]=4 117 B9R1.2 O=C1CC(CCN1)CO Z1255502253 [0,0,0,1,0,0|3,0,0]=4 118 B9R1.6 CC(=O)C1=CNCCC1 Z238880918 [0,0,0,1,0,0|2,0,1]=4 119 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,0,0,1,0,0|3,0,0]=4 120 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [0,0,0,1,0,0|1,1,0]=3 121 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [0,0,0,1,0,0|3,0,0]=4 122 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [0,0,0,1,0,0|3,0,0]=4 123 B9R1.6 CC(=O)N1CCCOC1 Z2143251901 [0,0,0,1,0,0|1,1,0]=3 124 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,0,0,1,0,0|3,0,0]=4 126 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [0,0,0,1,0,0|3,0,0]=4 127 B9R1.6 NC(=O)C1CCCNC1 Z85932258 [0,0,0,1,0,0|3,0,0]=4 128 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [0,0,0,1,0,0|3,0,0]=4 129 B9R1.6 NC(=O)N1CCCCC1 Z56917364 [0,0,0,1,0,0|3,0,0]=4 130 B9R1.6 O=C(O)C1=CCCSC1 Z1172114103 [0,0,0,1,0,0|2,0,1]=4 131 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,0,0,1,0,0|3,0,0]=4 132 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,0,0,1,0,0|3,0,0]=4 133 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [0,0,0,1,0,0|2,1,0]=4 134 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,0,0,1,0,0|2,0,0]=3 135 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [0,0,0,1,0,0|3,0,0]=4 136 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [0,0,0,1,0,0|3,0,0]=4 137 B9R1.7 CCCC1CNC(=O)C1 Z1201628058 [0,0,0,1,0,0|2,0,0]=3 138 B9R1.7 CNCC1COC(=O)O1 Z3827160287 [0,0,0,1,0,0|2,0,0]=3 139 B9R1.7 CNC[C@@H]1CCC(=O)N1 Z2941365002 [0,0,0,1,0,0|3,0,0]=4 140 B9R1.7 O=C1CC(CN1)CCO Z1504681971 [0,0,0,1,0,0|3,0,0]=4 141 B9R1.9 CSCCC1CC(C1)N Z4800996772 [0,0,0,1,0,0|2,0,1]=4 142 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [0,0,0,1,0,0|3,0,0]=4 143 B9R1.13 CC(=O)CC1CCOC1 Z1321971717 [0,0,0,1,0,0|1,1,0]=3 144 B9R1.13 CC(=O)NC1CCCC1 Z32413858 [0,0,0,1,0,0|2,0,0]=3 145 B9R1.13 CC(=O)OC1CCNC1 Z1201627165 [0,0,0,1,0,0|1,0,0]=2 146 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [0,0,0,1,0,0|3,0,0]=4 147 B9R1.13 NC(=O)NC1CCCC1 Z56896930 [0,0,0,1,0,0|3,0,0]=4 148 B9R1.13 NC(=O)NC1CCNC1 Z1551475943 [0,0,0,1,0,0|3,0,0]=4 149 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [0,0,0,1,0,0|3,0,0]=4 150 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [0,0,0,1,0,0|3,0,0]=4 151 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [0,0,0,1,0,0|2,1,0]=4 152 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [0,0,0,1,0,0|2,1,0]=4 153 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [0,0,0,1,0,0|3,0,0]=4 154 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [0,0,0,1,0,0|3,0,0]=4 155 B9R1.41 CN1CCCC1C(=O)O Z424762078 [0,0,0,1,0,0|3,0,0]=4 156 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [0,0,0,1,0,0|3,0,0]=4 157 B9R1.48 CC1CC(=O)NCCN1 Z1165350935 [0,0,0,1,0,0|3,0,0]=4 158 B9R1.48 CN1CCCNC(=O)C1 Z1031052044 [0,0,0,1,0,0|2,0,0]=3 159 B9R1.48 O=C1CCCCC(=O)C1 Z607750376 [0,0,0,1,0,0|3,0,0]=4 160 B9R1.48 O=C1CCCNC(=O)C1 Z1203731695 [0,0,0,1,0,0|3,0,0]=4 161 B9R1.50 O=C1CCCCCCC1 Z104474712 [0,0,0,1,0,0|2,0,0]=3 162 B9R1.50 O=C1CCCCNCC1 Z5186715583 [0,0,0,1,0,0|2,0,0]=3 163 B9R1.50 O=C1CCNCCCN1 Z1262578602 [0,0,0,1,0,0|2,0,0]=3 164 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [0,0,0,1,0,0|3,0,0]=4 165 B9R1.85 CC(C)OCCC1CO1 Z1495386355 [0,0,0,1,0,0|1,1,1]=4 166 B9R1.148 CC1(CNCCCO1)C Z1269638431 [0,0,0,1,0,0|2,0,1]=4 167 B6R0.6 CCNCCSC Z2412193591 [2,0,0,0,0,0|1,0,1]=4 168 B6R0.6 CCOCCCO Z1080358490 [2,0,0,0,0,0|0,1,1]=4 169 B6R0.6 CNCCCOC Z137847932 [2,0,0,0,0,0|1,0,0]=3 170 B6R0.6 CNCCCSC Z102766932 [2,0,0,0,0,0|1,0,0]=3 171 B6R0.6 COCCCC#N Z295205400 [2,0,0,0,0,0|2,0,0]=4 172 B6R0.6 COCCCCO Z431605254 [2,0,0,0,0,0|2,0,0]=4 173 B6R0.6 O=CCCCC=O Z57127529 [2,0,0,0,0,0|2,0,0]=4 174 B6R0.4 C=CCCC(=O)C Z406376894 [2,0,0,0,0,0|0,0,2]=4 175 B6R0.4 CC(=O)CCC#N Z1251352415 [2,0,0,0,0,0|1,0,1]=4 176 B6R0.4 CC(=O)NCCCl Z57983106 [2,0,0,0,0,0|2,0,0]=4 177 B6R0.4 CC(=O)OCCN Z1973465551 [2,0,0,0,0,0|1,0,0]=3 178 B6R0.4 CCCCC(=N)N Z1723418909 [2,0,0,0,0,0|2,0,0]=4 179 B6R0.4 CCCCC(=O)N Z104476278 [2,0,0,0,0,0|1,0,0]=3 180 B6R0.4 CCCCC(=O)O Z104473312 [2,0,0,0,0,0|1,0,0]=3 181 B6R0.4 CCCCC(C)N Z3300506318 [2,0,0,0,0,0|1,0,1]=4 182 B6R0.4 CCCNC(=O)C Z33030314 [2,0,0,0,0,0|1,0,0]=3 183 B6R0.4 CCCOC(=O)N Z1198148877 [2,0,0,0,0,0|1,0,0]=3 184 B6R0.4 CCNCC(=O)N Z1459435506 [2,0,0,0,0,0|2,0,0]=4 185 B6R0.4 CCNCC(=O)O Z744593094 [2,0,0,0,0,0|2,0,0]=4 186 B6R0.4 CCOCC(=O)O Z104495232 [2,0,0,0,0,0|2,0,0]=4 187 B6R0.4 CNCCC(=O)C Z1536943318 [2,0,0,0,0,0|1,0,0]=3 188 B6R0.4 COCCC(=O)C Z362119682 [2,0,0,0,0,0|0,1,0]=3 189 B6R0.4 COCCC(=O)N Z394696458 [2,0,0,0,0,0|1,1,0]=4 190 B6R0.4 COCCC(=O)O Z285184634 [2,0,0,0,0,0|1,1,0]=4 191 B6R0.4 CSCCC(=N)N Z1266823407 [2,0,0,0,0,0|2,0,0]=4 192 B6R0.4 CSCCC(=O)O Z54719251 [2,0,0,0,0,0|1,0,0]=3 193 B6R0.4 NC(=O)CCCO Z1203578394 [2,0,0,0,0,0|1,1,0]=4 194 B6R0.4 NC(=O)OCCO Z1198158440 [2,0,0,0,0,0|1,1,0]=4 195 B6R0.4 NCCCC(=O)N Z398513418 [2,0,0,0,0,0|2,0,0]=4 196 B6R0.4 NCCCC(=O)O Z104475620 [2,0,0,0,0,0|2,0,0]=4 197 B6R0.4 NCCOC(=O)N Z1587257433 [2,0,0,0,0,0|2,0,0]=4 198 B6R0.4 O=C(O)CCCS Z147642510 [2,0,0,0,0,0|1,0,0]=3 199 B8R0.5 CCCC(C)CC(=O)O Z352782810 [1,1,0,0,0,0|2,0,0]=4 200 B8R0.5 CCCC(O)CC(=O)O Z982132146 [1,1,0,0,0,0|2,0,0]=4 201 B8R0.5 COCC(C)CC(=O)O Z992443864 [1,1,0,0,0,0|1,1,0]=4 202 B8R0.8 CC(=O)N(C)CCCN Z319974634 [1,1,0,0,0,0|2,0,0]=4 203 B8R0.8 CCCCC(C)C(=O)C Z727719632 [1,1,0,0,0,0|1,0,0]=3 204 B8R0.8 CCCCC(C)C(=O)O Z756390480 [1,1,0,0,0,0|2,0,0]=4 205 B8R0.8 CCCCC(N)C(=O)O Z57127434 [1,1,0,0,0,0|2,0,0]=4 206 B8R0.8 CCCCC(O)C(=O)O Z803065156 [1,1,0,0,0,0|2,0,0]=4 207 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [1,1,0,0,0,0|2,0,0]=4 208 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [1,1,0,0,0,0|2,0,0]=4 209 B8R0.8 CNCCN(C)C(=O)C Z1190219530 [1,1,0,0,0,0|2,0,0]=4 210 B8R0.8 COCCC(C)C(=O)O Z756390554 [1,1,0,0,0,0|1,1,0]=4 211 B8R0.8 COCCC(N)C(=O)O Z317025018 [1,1,0,0,0,0|1,1,0]=4 212 B8R0.8 CSCCC(N)C(=O)O Z57127440 [1,1,0,0,0,0|1,0,0]=3 213 B8R0.8 CSCCC(O)C(=O)O Z788000926 [1,1,0,0,0,0|1,0,0]=3 214 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [1,1,0,0,0,0|1,0,0]=3 215 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [1,1,0,0,0,0|1,0,0]=3 216 B8R0.9 CCC(C)CCC(=O)C Z955111260 [1,1,0,0,0,0|1,0,0]=3 217 B8R0.9 CCC(C)CCC(=O)O Z955111774 [1,1,0,0,0,0|2,0,0]=4 218 B8R0.9 COC(C)CCC(=O)O Z963595334 [1,1,0,0,0,0|1,1,0]=4 219 B8R0.9 CSC(C)CCC(=O)O Z963595804 [1,1,0,0,0,0|1,0,0]=3 220 B8R0.21 CNCCCS(=O)(=O)C Z728931320 [1,1,0,0,0,0|2,0,0]=4 221 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,1,0,0,0,0|2,0,0]=4 222 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [1,1,0,0,0,0|0,1,1]=4 223 B8R0.28 CC(C)CCCC(=O)O Z426022098 [1,1,0,0,0,0|2,0,0]=4 224 B8R0.28 CC(C)CCNC(=O)N Z56904577 [1,1,0,0,0,0|2,0,0]=4 225 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [1,1,0,0,0,0|2,0,0]=4 226 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [1,1,0,0,0,0|2,0,0]=4 227 B10R0.4 CC(=O)OCCCCCCN Z5197785028 [0,2,0,0,0,0|1,0,0]=3 228 B10R0.4 CCCCCCOCC(=O)O Z362795556 [0,2,0,0,0,0|2,0,0]=4 229 B10R0.4 COCCCOCCC(=O)O Z608071756 [0,2,0,0,0,0|1,1,0]=4 230 B10R0.4 CSCCCCCCC(=O)O Z1262519805 [0,2,0,0,0,0|2,0,0]=4 231 B10R0.74 CCCCCCNC(=O)CCl Z147647954 [0,2,0,0,0,0|2,0,0]=4 232 B10R0.74 CNC(=O)CCCCCCN Z1457934838 [0,2,0,0,0,0|2,0,0]=4 233 B10R0.74 COCCNCCC(=O)OC Z53116038 [0,2,0,0,0,0|1,1,0]=4 234 B10R0.1 CCCCCNC(=O)CC#N Z169918908 [0,2,0,0,0,0|2,0,0]=4 235 B10R0.1 CNCC(=O)NCCCOC Z46191424 [0,2,0,0,0,0|1,1,0]=4 236 B10R0.1 COCCCNC(=O)CC#N Z56838571 [0,2,0,0,0,0|1,1,0]=4 237 B10R0.83 CCCCCC(N)C(=O)OC Z1398461596 [0,2,0,0,0,0|2,0,0]=4 238 B10R0.83 CCCCCC(O)C(=O)OC Z965047444 [0,2,0,0,0,0|2,0,0]=4 239 B10R0.83 CNCCCN(C)C(=O)OC Z3895007588 [0,2,0,0,0,0|2,0,0]=4 240 B10R0.83 COC(=O)N(C)CCCSC Z1988240513 [0,2,0,0,0,0|1,0,0]=3 241 B10R0.105 CNCC(C)(C)CNC(=O)C Z4511525382 [0,2,0,0,0,0|2,0,0]=4 242 B8R1.2 CNC1CCCSC1 Z1873867368 [1,0,0,1,0,0|2,0,0]=4 243 B8R1.2 CNC1CCOCC1 Z440603550 [1,0,0,1,0,0|1,0,1]=4 244 B8R1.2 CSC1CCNCC1 Z1201627011 [1,0,0,1,0,0|1,0,1]=4 245 B8R1.2 O=CC1=CCCSC1 Z1255380334 [1,0,0,1,0,0|1,0,1]=4 246 B8R1.2 O=CC1CCCCC1 Z104478974 [1,0,0,1,0,0|2,0,0]=4 247 B8R1.2 O=CC1CCCOC1 Z1065877672 [1,0,0,1,0,0|1,1,0]=4 248 B8R1.2 O=CC1CCCSC1 Z1255489365 [1,0,0,1,0,0|1,0,0]=3 249 B8R1.2 O=CN1CCCCC1 Z1255415437 [1,0,0,1,0,0|2,0,0]=4 250 B8R1.5 CC1CCCCC1=O Z104477192 [1,0,0,1,0,0|2,0,0]=4 251 B8R1.5 CC1CCCNC1=O Z1013766916 [1,0,0,1,0,0|2,0,0]=4 252 B8R1.8 CNCC1CCOC1 Z239629088 [1,0,0,1,0,0|1,0,1]=4 253 B8R1.8 CSCC1CCNC1 Z1250132642 [1,0,0,1,0,0|1,0,1]=4 254 B8R1.8 O=CCC1CCCC1 Z993017732 [1,0,0,1,0,0|2,0,0]=4 255 B8R1.8 O=CCC1CCOC1 Z1138844345 [1,0,0,1,0,0|1,1,0]=4 256 B8R1.9 C[C@@H]1C[C@@H]1CCC=O Z4130582680 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.10 O=CCCC1CCC1 Z1717769279 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.11 CC1CCCC1C=O Z1268606470 [1,0,0,1,0,0|2,0,0]=4 259 B8R1.11 CCC1CCCC1=O Z813018310 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.11 CCC1CCNC1=O Z1203732458 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.22 CC1CNCCCO1 Z425722880 [1,0,0,1,0,0|1,0,1]=4 262 B8R1.22 CC1CSCCCN1 Z2895198847 [1,0,0,1,0,0|1,0,1]=4 263 B8R1.22 O=C1CCCCCC1 Z104473100 [1,0,0,1,0,0|2,0,0]=4 264 B8R1.22 O=C1CNCCCN1 Z2756332573 [1,0,0,1,0,0|2,0,0]=4 265 B8R1.22 O=C1COCCCN1 Z1203733065 [1,0,0,1,0,0|1,1,0]=4 266 B8R1.36 CCOCCC1CO1 Z1495386137 [1,0,0,1,0,0|0,1,1]=4 267 B8R1.36 O=CCCCC1CC1 Z1511869605 [1,0,0,1,0,0|2,0,0]=4 268 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [1,0,0,1,0,0|2,0,0]=4 269 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [1,0,0,1,0,0|1,0,0]=3 270 B8R1.1 CCC1COC(=N1)N Z3231924235 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.1 COC1CNC(=O)C1 Z1203749511 [1,0,0,1,0,0|1,1,0]=4 272 B8R1.1 CSC1CCC(C1)N Z1245790495 [1,0,0,1,0,0|1,0,1]=4 273 B8R1.1 NCC1COC(=O)C1 Z1262663655 [1,0,0,1,0,0|1,0,0]=3 274 B8R1.1 NCC1COC(=O)N1 Z2130644119 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.1 NCC1COC(=O)O1 Z3474887077 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.1 O=C1CC(CN1)CO Z1201625841 [1,0,0,1,0,0|1,1,0]=4 278 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [1,0,0,1,0,0|1,1,0]=4 279 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [1,0,0,1,0,0|1,0,1]=4 280 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [1,0,0,1,0,0|2,0,0]=4 282 B8R1.4 CC1CCCC(=O)C1 Z56899044 [1,0,0,1,0,0|1,0,0]=3 283 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [1,0,0,1,0,0|1,0,0]=3 285 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [1,0,0,1,0,0|1,0,0]=3 286 B8R1.4 O=C1CC(CCN1)O Z1198221829 [1,0,0,1,0,0|1,1,0]=4 287 B8R1.6 CCCC1CC(=O)N1 Z1198168176 [1,0,0,1,0,0|1,0,0]=3 288 B8R1.6 CSCC1CC(C1)N Z3679305264 [1,0,0,1,0,0|1,0,1]=4 289 B8R1.6 NCCC1CC(=O)C1 Z2681245722 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.7 CC(=O)C1CCCC1 Z513735352 [1,0,0,1,0,0|1,0,0]=3 291 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [1,0,0,1,0,0|1,0,0]=3 292 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [1,0,0,1,0,0|0,1,0]=3 293 B8R1.7 NC(=O)C1CCCC1 Z33546657 [1,0,0,1,0,0|2,0,0]=4 294 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [1,0,0,1,0,0|2,0,0]=4 295 B8R1.7 NC(=O)C1CCOC1 Z802555342 [1,0,0,1,0,0|1,1,0]=4 296 B8R1.7 NC(=O)C1CSCN1 Z316101160 [1,0,0,1,0,0|2,0,0]=4 297 B8R1.7 NC(=O)N1CCCC1 Z56907605 [1,0,0,1,0,0|2,0,0]=4 298 B8R1.7 O=C(O)C1CCCC1 Z104476116 [1,0,0,1,0,0|2,0,0]=4 299 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [1,0,0,1,0,0|2,0,0]=4 300 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.7 O=C(O)C1CCOC1 Z381356480 [1,0,0,1,0,0|1,1,0]=4 302 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [1,0,0,1,0,0|1,0,0]=3 303 B8R1.7 O=C(O)C1CSCN1 Z104495996 [1,0,0,1,0,0|2,0,0]=4 304 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [1,0,0,1,0,0|2,0,0]=4 305 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [1,0,0,1,0,0|2,0,0]=4 306 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [1,0,0,1,0,0|1,0,0]=3 307 B8R1.34 CC(=O)NC1CNC1 Z1198175578 [1,0,0,1,0,0|2,0,0]=4 308 B8R1.34 NC(=O)CC1CNC1 Z1459435453 [1,0,0,1,0,0|2,0,0]=4 309 B8R1.34 NC(=O)NC1CCC1 Z979783478 [1,0,0,1,0,0|2,0,0]=4 310 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [1,0,0,1,0,0|2,0,0]=4 311 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [1,0,0,1,0,0|1,0,0]=3 312 B8R1.35 NC(=O)NCC1CC1 Z247615948 [1,0,0,1,0,0|2,0,0]=4 313 B8R1.43 CC(=O)C1CC1C#N Z1514030424 [1,0,0,1,0,0|2,0,0]=4 314 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [1,0,0,1,0,0|2,0,0]=4 315 B10R1.13 CC(=O)N1CCC(CC1)N Z90664455 [0,1,0,1,0,0|2,0,0]=4 316 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)N Z1262662148 [0,1,0,1,0,0|2,0,0]=4 317 B10R1.54 CC(C)CC1CNC(=O)C1 Z1198235319 [0,1,0,1,0,0|2,0,0]=4 318 B10R1.54 CN(C)CC1CNC(=O)C1 Z3378088376 [0,1,0,1,0,0|2,0,0]=4 319 B10R1.54 O=C(O)CC1COC(=O)C1 Z1205494290 [0,1,0,1,0,0|2,0,0]=4 320 B10R1.79 O=C1CCCC(CCC1)O Z1198158812 [0,1,0,1,0,0|2,0,0]=4 321 B10R1.197 CCC1CCNC(=O)CC1 Z425362288 [0,1,0,1,0,0|2,0,0]=4 322 B10R1.206 C[C@@H]1C[C@H]1CCC(=O)CCl Z4442429030 [0,1,0,1,0,0|2,0,0]=4 323 B10R1.10 CCCC1CC(=O)CCO1 Z1192341343 [0,1,0,1,0,0|2,0,0]=4 324 B10R1.10 COCC1CCNC(=O)C1 Z1203748366 [0,1,0,1,0,0|1,1,0]=4 325 B10R1.10 NCCC1CCNC(=O)C1 Z4077128228 [0,1,0,1,0,0|2,0,0]=4 326 B10R1.18 CC(=O)CC1CCNCC1 Z3235039172 [0,1,0,1,0,0|2,0,0]=4 327 B10R1.18 CC(=O)CC1CCOCC1 Z992965782 [0,1,0,1,0,0|1,1,0]=4 328 B10R1.18 CC(=O)CC1COCCN1 Z1649677748 [0,1,0,1,0,0|1,1,0]=4 329 B10R1.18 CC(=O)NC1CCCNC1 Z285140960 [0,1,0,1,0,0|2,0,0]=4 330 B10R1.18 CC(=O)NC1CCNCC1 Z969560560 [0,1,0,1,0,0|2,0,0]=4 331 B10R1.18 CC(=O)OC1=CCCCC1 Z426041318 [0,1,0,1,0,0|1,0,1]=4 332 B10R1.18 O=C(O)CC1CCSCC1 Z826531570 [0,1,0,1,0,0|2,0,0]=4 333 B10R1.18 O=C(O)CC1CSCCS1 Z1492186731 [0,1,0,1,0,0|2,0,0]=4 334 B10R1.39 CC(=O)N1CCCC1CN Z5184060281 [0,1,0,1,0,0|2,0,0]=4 335 B10R1.39 CC[C@@H]1CCO[C@@H]1C(=O)O Z2525786659 [0,1,0,1,0,0|2,0,0]=4 336 B10R1.61 CC(=O)C1CCCCC1C Z1276728280 [0,1,0,1,0,0|2,0,0]=4 337 B10R1.64 CC(=O)NC1CCSC1=O Z995084668 [0,1,0,1,0,0|1,0,1]=4 338 B10R1.66 CC(=O)NCC1CCCN1 Z4898465730 [0,1,0,1,0,0|2,0,0]=4 339 B10R1.66 CC(=O)OCC1CCNC1 Z1201627164 [0,1,0,1,0,0|1,0,0]=3 340 B10R1.66 O=C(O)COC1CCCC1 Z316258762 [0,1,0,1,0,0|2,0,0]=4 341 B10R1.66 O=C(O)COC1CCNC1 Z4875638894 [0,1,0,1,0,0|2,0,0]=4 342 B10R1.66 O=C(O)COC1CCOC1 Z1138838239 [0,1,0,1,0,0|1,1,0]=4 343 B10R1.78 O=C1CCCCCCCC1 Z1255382938 [0,1,0,1,0,0|2,0,0]=4 344 B10R1.78 O=C1CCCCCCCN1 Z1203730756 [0,1,0,1,0,0|2,0,0]=4 345 B10R1.348 CC(=O)C1CCCCCC1 Z1255452291 [0,1,0,1,0,0|2,0,0]=4 346 B10R1.348 CC(=O)N1CCCCCC1 Z31431946 [0,1,0,1,0,0|2,0,0]=4 347 B10R1.348 CC(=O)N1CCCNCC1 Z166645986 [0,1,0,1,0,0|2,0,0]=4 348 B10R1.348 CC(=O)N1CCCOCC1 Z929561102 [0,1,0,1,0,0|1,1,0]=4 349 B10R1.330 CC1CNC(=O)CC(C1)C Z1203735002 [0,1,0,1,0,0|2,0,0]=4 350 B10R1.370 NC1(CCSC1)CC(=O)O Z1742242134 [0,1,0,1,0,0|2,0,0]=4 351 B10R1.1 CCCC1CCC(=O)CC1 Z57073962 [0,1,0,1,0,0|2,0,0]=4 352 B10R1.15 CCC(=O)C1CCCCC1 Z513735268 [0,1,0,1,0,0|2,0,0]=4 353 B10R1.15 CNC(=O)C1CCCNC1 Z1266933838 [0,1,0,1,0,0|2,0,0]=4 354 B10R1.15 CNC(=O)C1CCCOC1 Z1081530748 [0,1,0,1,0,0|1,1,0]=4 355 B10R1.15 NCC(=O)N1CCCCC1 Z1263602390 [0,1,0,1,0,0|2,0,0]=4 356 B10R1.15 O=C(CCl)C1CCCCC1 Z1205657412 [0,1,0,1,0,0|2,0,0]=4 357 B10R1.15 O=C(CCl)N1CCCCC1 Z56891386 [0,1,0,1,0,0|2,0,0]=4 358 B10R1.27 CCC(=O)NC1CCNC1 Z439698382 [0,1,0,1,0,0|2,0,0]=4 359 B10R1.27 CNC(=O)NC1CCCC1 Z177091480 [0,1,0,1,0,0|2,0,0]=4 360 B10R1.27 CNC(=O)NC1CCNC1 Z1203825246 [0,1,0,1,0,0|2,0,0]=4 361 B10R1.27 NCC(=O)NC1CCCC1 Z1449764432 [0,1,0,1,0,0|2,0,0]=4 362 B10R1.27 O=C(CCl)CC1CCCC1 Z1386913430 [0,1,0,1,0,0|2,0,0]=4 363 B10R1.27 O=C(CCl)CC1CCOC1 Z2418118070 [0,1,0,1,0,0|1,1,0]=4 364 B10R1.27 O=C(CCl)NC1CCCC1 Z56896272 [0,1,0,1,0,0|2,0,0]=4 365 B10R1.27 O=C(CO)NC1CCCC1 Z431952118 [0,1,0,1,0,0|2,0,0]=4 366 B10R1.99 CCC[C@@H]1C[C@H]1C(=O)CCl Z4463030910 [0,1,0,1,0,0|2,0,0]=4 367 B10R1.149 COC(=O)C1CCCN1C Z905213162 [0,1,0,1,0,0|2,0,0]=4 368 B10R1.151 O=C(CCl)NCC1CCC1 Z411906316 [0,1,0,1,0,0|2,0,0]=4 369 B10R1.157 CC[C@@H]1C[C@@H]1CC(=O)CCl Z4994023133 [0,1,0,1,0,0|2,0,0]=4 370 B10R1.161 O=CC1=CCCCCCC1 Z2568727644 [0,1,0,1,0,0|2,0,0]=4 371 B10R1.113 CC(=O)C1CCCN(C1)C Z413815762 [0,1,0,1,0,0|2,0,0]=4 372 B10R1.113 CC(=O)[C@H]1CNC[C@H](C1)C Z5212943153 [0,1,0,1,0,0|2,0,0]=4 373 B10R1.363 CC(=O)C1(CCCCC1)N Z2106606026 [0,1,0,1,0,0|2,0,0]=4 374 B10R1.363 NC1(CCCSC1)C(=O)O Z1029463938 [0,1,0,1,0,0|2,0,0]=4 375 B10R1.390 COCC1(CNC(=O)C1)C Z1270255743 [0,1,0,1,0,0|1,1,0]=4 376 B10R2.31 O=C1CC[C@@H]2CC[C@@H]2N1 Z4402563392 [0,0,0,2,0,0|2,0,0]=4 377 B10R2.62 O=C1CC2CCC1CC2 Z1379488333 [0,0,0,2,0,0|2,0,0]=4 378 B10R2.68 O=C1NCCC2C1CC2 Z3243444395 [0,0,0,2,0,0|2,0,0]=4 379 B10R2.320 O=C1N[C@H]2[C@@H]1CCCC2 Z2289709427 [0,0,0,2,0,0|2,0,0]=4 380 B10R2.2 O=C1CC2CCOC2O1 Z234901875 [0,0,0,2,0,0|2,0,0]=4 381 B10R2.2 O=C1C[C@@H]2CSC[C@@H]2C1 Z1513645855 [0,0,0,2,0,0|1,0,0]=3 382 B10R2.2 O=C1N[C@@H]2CNC[C@@H]2O1 Z3858041825 [0,0,0,2,0,0|2,0,0]=4 383 B10R2.2 O=C1N[C@@H]2COC[C@@H]2O1 Z3354065858 [0,0,0,2,0,0|1,1,0]=4 384 B10R2.2 O=C1OC2COCC2O1 Z2787476626 [0,0,0,2,0,0|1,1,0]=4 385 B10R2.2 O=C1O[C@H]2CNC[C@H]2O1 Z3052052262 [0,0,0,2,0,0|2,0,0]=4 386 B10R2.14 O=C1CC(CN1)C2CC2 Z1203816683 [0,0,0,2,0,0|2,0,0]=4 387 B10R2.14 O=C1CCC(C1)C2CC2 Z1233207534 [0,0,0,2,0,0|2,0,0]=4 388 B10R2.32 O=C1NCC2C1CCC2 Z1198170665 [0,0,0,2,0,0|2,0,0]=4 389 B10R2.32 O=C1NC[C@H]2[C@@H]1CCC2 Z3715300326 [0,0,0,2,0,0|2,0,0]=4 390 B10R2.32 O=C1OC[C@H]2[C@@H]1CCC2 Z2786565576 [0,0,0,2,0,0|1,0,0]=3 391 B10R2.32 O=C1OC[C@H]2[C@@H]1NCC2 Z4078237372 [0,0,0,2,0,0|2,0,0]=4 392 B10R2.332 O=C1CC2(CCC2)CN1 Z1436536038 [0,0,0,2,0,0|2,0,0]=4 393 B10R2.267 O=C1CC(N1)CC2CO2 Z3326502629 [0,0,0,2,0,0|1,1,0]=4 394 B10R2.316 O=C1CC2(C1)CSSC2 Z3036233468 [0,0,0,2,0,0|2,0,0]=4 395 B10R2.316 O=C1CC2(N1)CCCC2 Z1238837513 [0,0,0,2,0,0|2,0,0]=4