0 B7R1.3 BrC1=CCSCC1 CS-0693505 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.3 BrC1CCNCC1 CS-0683338 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.3 C=C1CCOCC1 CS-W004277 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 CB1OCCCO1 CS-0698995 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.3 CN1CC=CCC1 CS-0315628 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.3 C[C@@H]1CCCCN1 CS-0146588 [0,0,0,0,0,0|2,0,1]=3 6 B7R1.3 C[C@@H]1CNCCN1 CS-0170840 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.3 ClC1C=CCCC1 CS-0111298 [0,0,0,0,0,0|1,0,3]=4 8 B7R1.3 N=C1NCCCS1 CS-0072965 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 NC1=NCCCC1 CS-0021164 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.3 NC1=NCCCN1 CS-0072997 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 NC1CCCCC1 CS-0214048 [0,0,0,0,0,0|1,0,1]=2 12 B7R1.3 NC1CCOCC1 CS-0439638 [0,0,0,0,0,0|2,0,1]=3 13 B7R1.3 NN1CCCCC1 CS-W001609 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.3 N[C@H]1CCCNC1 CS-0310189 [0,0,0,0,0,0|2,0,1]=3 15 B7R1.3 O=C1C=CCOC1 CS-0051593 [0,0,0,0,0,0|1,0,2]=3 16 B7R1.3 O=C1CNCCN1 CS-0183828 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.3 O=S1CCOCC1 CS-0686002 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.3 OC1CCCSC1 CS-0256670 [0,0,0,0,0,0|1,0,2]=3 19 B7R1.3 OC1COCOC1 CS-0249215 [0,0,0,0,0,0|2,0,2]=4 20 B7R1.3 O[C@@H]1CCCOC1 CS-0053086 [0,0,0,0,0,0|1,0,2]=3 21 B7R1.3 S=C1CCCCN1 CS-0265032 [0,0,0,0,0,0|1,1,0]=2 22 B7R1.3 S=C1NCCCS1 CS-0231397 [0,0,0,0,0,0|2,1,0]=3 23 B7R1.3 SC1CCNCC1 CS-0048752 [0,0,0,0,0,0|1,1,1]=3 24 B6R1.1 C1=COCCO1 CS-0465803 [1,0,0,0,0,0|2,0,1]=4 25 B6R1.1 C1CNCCN1 CS-0210526 [1,0,0,0,0,0|2,0,0]=3 26 B6R1.1 C1CNCOC1 CS-W007123 [1,0,0,0,0,0|2,0,0]=3 27 B6R1.1 C1COCCN1 CS-0214064 [1,0,0,0,0,0|2,0,0]=3 28 B6R1.1 C1COCCN1 CS-0214146 [1,0,0,0,0,0|2,0,0]=3 29 B6R1.1 C1COCOC1 CS-0331949 [1,0,0,0,0,0|2,0,0]=3 30 B6R1.1 C1SCSCS1 CS-0328115 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.2 C#CC1CCCCN1 CS-0217320 [0,1,0,0,0,0|2,0,1]=4 32 B8R1.2 C#CC1CCSCC1 CS-0050864 [0,1,0,0,0,0|2,0,1]=4 33 B8R1.2 C=CC1CCCNC1 CS-0446733 [0,1,0,0,0,0|2,0,1]=4 34 B8R1.2 CCC1CCCNC1 CS-0216233 [0,1,0,0,0,0|2,0,1]=4 35 B8R1.2 CCC1CCCNC1 CS-0265556 [0,1,0,0,0,0|2,0,1]=4 36 B8R1.2 CCC1CCNCC1 CS-0139274 [0,1,0,0,0,0|2,0,1]=4 37 B8R1.2 CC[C@H]1CCCCN1 CS-0153901 [0,1,0,0,0,0|2,0,1]=4 38 B8R1.2 CNC1CCCOC1 CS-0208750 [0,1,0,0,0,0|2,0,1]=4 39 B8R1.2 CNC1CCNCC1 CS-0069834 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.2 CNC1CCSCC1 CS-0301424 [0,1,0,0,0,0|2,0,1]=4 41 B8R1.2 COC1CCCCC1 CS-0361650 [0,1,0,0,0,0|0,0,2]=3 42 B8R1.2 CO[C@@H]1CCCNC1 CS-0053324 [0,1,0,0,0,0|1,0,2]=4 43 B8R1.2 CSC1=NCCCN1 CS-0453557 [0,1,0,0,0,0|2,1,0]=4 44 B8R1.2 CSC1CCCCC1 CS-0455111 [0,1,0,0,0,0|0,1,1]=3 45 B8R1.2 ClCC1CCCCN1 CS-0186441 [0,1,0,0,0,0|2,0,1]=4 46 B8R1.2 ClCC1CCCCO1 CS-0204782 [0,1,0,0,0,0|2,0,1]=4 47 B8R1.2 FCC1CCNCC1 CS-0051153 [0,1,0,0,0,0|2,0,1]=4 48 B8R1.2 N#CC1=CNCCC1 CS-0770110 [0,1,0,0,0,0|2,0,1]=4 49 B8R1.2 N#CC1CCCCN1 CS-0048755 [0,1,0,0,0,0|2,0,1]=4 50 B8R1.2 N#CC1CCCCN1 CS-0092627 [0,1,0,0,0,0|2,0,1]=4 51 B8R1.2 N#CC1CCCNC1 CS-0048754 [0,1,0,0,0,0|2,0,1]=4 52 B8R1.2 N#CN1CCCCC1 CS-0204691 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.2 N#C[C@@H]1CCCCN1 CS-0184194 [0,1,0,0,0,0|2,0,1]=4 54 B8R1.2 N#C[C@@H]1CCCNC1 CS-0185475 [0,1,0,0,0,0|2,0,1]=4 55 B8R1.2 NCC1CCCCC1 CS-0214042 [0,1,0,0,0,0|1,0,1]=3 56 B8R1.2 NCC1CCCCO1 CS-0041578 [0,1,0,0,0,0|2,0,1]=4 57 B8R1.2 NCC1CCCCO1 CS-0205807 [0,1,0,0,0,0|2,0,1]=4 58 B8R1.2 NCC1CCCNC1 CS-0171558 [0,1,0,0,0,0|2,0,1]=4 59 B8R1.2 NCC1CCCOC1 CS-D0477 [0,1,0,0,0,0|2,0,1]=4 60 B8R1.2 NC[C@@H]1CCCNC1 CS-0181018 [0,1,0,0,0,0|2,0,1]=4 61 B8R1.2 NNC1=NCCCN1 CS-0763006 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.2 NNC1CCCCC1 CS-0047552 [0,1,0,0,0,0|1,0,1]=3 63 B8R1.2 NNC1CCCOC1 CS-0183340 [0,1,0,0,0,0|2,0,1]=4 64 B8R1.2 O=CC1=CCCCC1 CS-0204676 [0,1,0,0,0,0|0,0,1]=2 65 B8R1.2 O=CC1=CCCSC1 CS-0235134 [0,1,0,0,0,0|1,0,1]=3 66 B8R1.2 O=CC1CCCCN1 CS-0171600 [0,1,0,0,0,0|1,0,1]=3 67 B8R1.2 O=CC1CCCCO1 CS-0183379 [0,1,0,0,0,0|1,0,1]=3 68 B8R1.2 O=CC1CCCOC1 CS-W008553 [0,1,0,0,0,0|1,0,1]=3 69 B8R1.2 OC[C@@H]1CCCCN1 CS-0309833 [0,1,0,0,0,0|1,0,2]=4 70 B8R1.2 ONC1CCCCC1 CS-0155322 [0,1,0,0,0,0|0,0,2]=3 71 B8R1.2 SCC1CCCCC1 CS-0252350 [0,1,0,0,0,0|0,1,1]=3 72 B8R1.3 C=C1CCC(=O)CC1 CS-0465068 [0,1,0,0,0,0|0,0,1]=2 73 B8R1.3 CC1=NNC(=O)CC1 CS-1055591 [0,1,0,0,0,0|2,0,1]=4 74 B8R1.3 CC1C=CC(=O)CC1 CS-0051212 [0,1,0,0,0,0|0,0,2]=3 75 B8R1.3 CC1CCC(N)CC1 CS-0439724 [0,1,0,0,0,0|1,0,1]=3 76 B8R1.3 CC1CNC(=O)CN1 CS-0050431 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.3 CN1CC=C(Br)CC1 CS-0696146 [0,1,0,0,0,0|2,0,1]=4 78 B8R1.3 CN1CCC(Cl)CC1 CS-W016031 [0,1,0,0,0,0|2,0,0]=3 79 B8R1.3 C[C@H]1CC[C@H](C)CC1 CS-0199036 [0,1,0,0,0,0|1,0,1]=3 80 B8R1.3 C[C@H]1CNC(=O)CN1 CS-0053133 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.3 ClC1CCC(Cl)CC1 CS-0829456 [0,1,0,0,0,0|1,0,1]=3 82 B8R1.3 Cl[C@H]1CC[C@H](Cl)CC1 CS-0464208 [0,1,0,0,0,0|1,0,1]=3 83 B8R1.3 NC1CCC(I)CC1 CS-0188101 [0,1,0,0,0,0|1,0,1]=3 84 B8R1.3 N[C@H]1CC[C@@H](N)CC1 CS-0134766 [0,1,0,0,0,0|1,0,1]=3 85 B8R1.3 O=C1CCC(=O)NC1 CS-0009359 [0,1,0,0,0,0|1,0,1]=3 86 B8R1.3 O=C1CCC(Br)CC1 CS-0139183 [0,1,0,0,0,0|0,0,0]=1 87 B8R1.3 O=C1CC[C@@H](O)CN1 CS-D0041 [0,1,0,0,0,0|1,0,0]=2 88 B8R1.3 O=C1NCC(O)CN1 CS-0149711 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.3 [C@H]1(N)CCC(O)=NC1 CS-W006881 [0,1,0,0,0,0|1,0,1]=3 90 B8R1.4 CC1CCCC(=O)C1 CS-W011266 [0,1,0,0,0,0|0,0,0]=1 91 B8R1.4 CC1CCCC(Br)C1 CS-0260886 [0,1,0,0,0,0|1,0,1]=3 92 B8R1.4 CC1CCCC(O)C1 CS-W011243 [0,1,0,0,0,0|0,0,2]=3 93 B8R1.4 CC1CCOC(=O)O1 CS-0062234 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.4 CN1CCC=C(Br)C1 CS-W001547 [0,1,0,0,0,0|2,0,1]=4 95 B8R1.4 CN1CCCC(=O)C1 CS-0664942 [0,1,0,0,0,0|1,0,0]=2 96 B8R1.4 CN1CCCC(Br)C1 CS-0308804 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.4 CN1CCCC(N)C1 CS-0067926 [0,1,0,0,0,0|2,0,0]=3 98 B8R1.4 CN1CCC[C@H](O)C1 CS-0053281 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.4 C[C@@H]1CCCC(=O)C1 CS-0217860 [0,1,0,0,0,0|0,0,0]=1 100 B8R1.4 C[C@@H]1CCC[C@H](O)C1 CS-0474738 [0,1,0,0,0,0|0,0,2]=3 101 B8R1.4 C[C@@H]1CN(C)CCN1 CS-0183873 [0,1,0,0,0,0|3,0,0]=4 102 B8R1.4 C[C@@H]1CNC[C@H](C)C1 CS-0260825 [0,1,0,0,0,0|2,0,1]=4 103 B8R1.4 C[C@@H]1C[C@@H](O)CCO1 CS-0858466 [0,1,0,0,0,0|1,0,2]=4 104 B8R1.4 C[C@H]1C[C@@H](O)CCO1 CS-0183100 [0,1,0,0,0,0|1,0,2]=4 105 B8R1.4 NC1CCCC(=O)C1 CS-0055078 [0,1,0,0,0,0|0,0,0]=1 106 B8R1.4 NC1CCCC(=O)C1 CS-0464639 [0,1,0,0,0,0|0,0,0]=1 107 B8R1.4 NC1CCN=C(O)C1 CS-W005407 [0,1,0,0,0,0|1,0,1]=3 108 B8R1.4 N[C@@H]1CCC[C@H](O)C1 CS-0058729 [0,1,0,0,0,0|0,0,2]=3 109 B8R1.4 N[C@H]1CCC[C@@H](N)C1 CS-0106733 [0,1,0,0,0,0|1,0,1]=3 110 B8R1.4 O=C1C=C(O)CCC1 CS-0155450 [0,1,0,0,0,0|0,0,2]=3 111 B8R1.4 O=C1CCCC(O)C1 CS-0051335 [0,1,0,0,0,0|0,0,0]=1 112 B8R1.4 O=C1COCC(=O)C1 CS-W005641 [0,1,0,0,0,0|1,0,1]=3 113 B8R1.4 O=C1[CH-]C(=O)COC1 CS-0197468 [0,1,0,0,0,0|1,0,2]=4 114 B8R1.4 O[C@H]1CCC[C@@H](O)C1 CS-0135348 [0,1,0,0,0,0|0,0,2]=3 115 B8R1.5 BrC1CCCCC1Br CS-0155357 [0,1,0,0,0,0|1,0,1]=3 116 B8R1.5 BrC1CCCOC1Br CS-0232875 [0,1,0,0,0,0|2,0,1]=4 117 B8R1.5 Br[C@H]1CCCC[C@@H]1Br CS-0188509 [0,1,0,0,0,0|1,0,1]=3 118 B8R1.5 CC1=CCCCC1=O CS-0206231 [0,1,0,0,0,0|0,0,2]=3 119 B8R1.5 CC1CCCNC1C CS-0252665 [0,1,0,0,0,0|2,0,1]=4 120 B8R1.5 CC1CCCNC1C CS-0263124 [0,1,0,0,0,0|2,0,1]=4 121 B8R1.5 CC1CCCOC1=O CS-0440412 [0,1,0,0,0,0|1,0,0]=2 122 B8R1.5 CC1CCNCC1O CS-0050805 [0,1,0,0,0,0|1,0,2]=4 123 B8R1.5 CC1CNCCC1O CS-W006376 [0,1,0,0,0,0|1,0,2]=4 124 B8R1.5 CC1CNCCN1C CS-0263896 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.5 CC1CSCCC1=O CS-0152667 [0,1,0,0,0,0|1,0,0]=2 126 B8R1.5 CC1SCCNC1=O CS-0006425 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.5 CN1CCCCC1=O CS-0222604 [0,1,0,0,0,0|1,0,0]=2 128 B8R1.5 CN1CCCNC1=S CS-0223575 [0,1,0,0,0,0|2,1,0]=4 129 B8R1.5 C[C@@H]1CCCC[C@H]1N CS-0183089 [0,1,0,0,0,0|1,0,1]=3 130 B8R1.5 C[C@@H]1CCCC[C@H]1O CS-0886871 [0,1,0,0,0,0|0,0,2]=3 131 B8R1.5 C[C@@H]1CCCN[C@@H]1C CS-0310253 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.5 C[C@H]1CCCC[C@@H]1C CS-0454933 [0,1,0,0,0,0|1,0,1]=3 133 B8R1.5 FC1CCCCC1Br CS-0314637 [0,1,0,0,0,0|1,0,1]=3 134 B8R1.5 NN1CCCCC1=O CS-0252905 [0,1,0,0,0,0|1,0,0]=2 135 B8R1.5 N[C@@H]1CCCNC1=O CS-0200063 [0,1,0,0,0,0|1,0,0]=2 136 B8R1.5 N[C@@H]1COCC[C@H]1O CS-0801126 [0,1,0,0,0,0|1,0,2]=4 137 B8R1.5 N[C@H]1CCCC[C@H]1N CS-0271377 [0,1,0,0,0,0|1,0,1]=3 138 B8R1.5 N[C@H]1CCCC[C@H]1O CS-0030060 [0,1,0,0,0,0|0,0,2]=3 139 B8R1.5 N[C@H]1CCCNC1=O CS-W003592 [0,1,0,0,0,0|1,0,0]=2 140 B8R1.5 N[C@H]1CCOC[C@@H]1O CS-0053298 [0,1,0,0,0,0|1,0,2]=4 141 B8R1.5 N[C@H]1CCOC[C@H]1F CS-0053232 [0,1,0,0,0,0|2,0,1]=4 142 B8R1.5 N[C@H]1CCOC[C@H]1O CS-0053229 [0,1,0,0,0,0|1,0,2]=4 143 B8R1.5 N[C@H]1COCC[C@@H]1O CS-0047794 [0,1,0,0,0,0|1,0,2]=4 144 B8R1.5 N[C@H]1COCC[C@@H]1O CS-0053233 [0,1,0,0,0,0|1,0,2]=4 145 B8R1.5 N[C@H]1COCC[C@@H]1O CS-0927382 [0,1,0,0,0,0|1,0,2]=4 146 B8R1.5 O=C1CCCC=C1Br CS-0205484 [0,1,0,0,0,0|0,0,2]=3 147 B8R1.5 O=C1CCCCC1F CS-0040502 [0,1,0,0,0,0|0,0,0]=1 148 B8R1.5 O=C1OCCCC1O CS-W021939 [0,1,0,0,0,0|1,0,0]=2 149 B8R1.5 O[C@@H]1CCCC[C@H]1Br CS-0247917 [0,1,0,0,0,0|0,0,2]=3 150 B8R1.5 O[C@@H]1CCCC[C@H]1F CS-0101188 [0,1,0,0,0,0|0,0,2]=3 151 B8R1.5 O[C@@H]1CCCC[C@H]1F CS-0101192 [0,1,0,0,0,0|0,0,2]=3 152 B8R1.5 O[C@@H]1CCNC[C@H]1O CS-0047738 [0,1,0,0,0,0|1,0,2]=4 153 B8R1.5 O[C@@H]1CNCC[C@H]1F CS-0863968 [0,1,0,0,0,0|1,0,2]=4 154 B8R1.5 O[C@H]1CCNC[C@@H]1O CS-0491320 [0,1,0,0,0,0|1,0,2]=4 155 B8R1.72 CC1(Br)CCCCC1 CS-0505655 [0,1,0,0,0,0|1,0,1]=3 156 B8R1.72 CC1(Br)CCOCC1 CS-0505206 [0,1,0,0,0,0|2,0,1]=4 157 B8R1.72 CC1(C)CCCNC1 CS-0067913 [0,1,0,0,0,0|2,0,1]=4 158 B8R1.72 CC1(N)CCCCC1 CS-0037804 [0,1,0,0,0,0|1,0,1]=3 159 B8R1.72 CC1(N)CCCOC1 CS-0183564 [0,1,0,0,0,0|2,0,1]=4 160 B8R1.72 CC1(N)CCNCC1 CS-0091552 [0,1,0,0,0,0|2,0,1]=4 161 B8R1.72 C[C@]1(O)CCCNC1 CS-0184500 [0,1,0,0,0,0|1,0,2]=4 162 B8R1.72 O=S1(=O)OCCCO1 CS-0204556 [0,1,0,0,0,0|3,0,0]=4 163 B6R0.1 C(C)=CC(=O)CC CS-W013723 [0,0,1,0,0,0|0,0,2]=3 164 B6R0.1 CCC(C)CCO CS-0204814 [0,0,1,0,0,0|2,0,1]=4 165 B6R0.1 CCC(C)CNC CS-0356555 [0,0,1,0,0,0|2,0,1]=4 166 B6R0.1 CCC(N)CCN CS-0238941 [0,0,1,0,0,0|2,0,1]=4 167 B6R0.1 CCC(O)COC CS-0199441 [0,0,1,0,0,0|1,0,2]=4 168 B6R0.1 CCCC(=O)CCl CS-0252325 [0,0,1,0,0,0|1,0,0]=2 169 B6R0.1 CCCC(=O)NO CS-0179704 [0,0,1,0,0,0|2,0,0]=3 170 B6R0.1 CCCC(N)CO CS-0089892 [0,0,1,0,0,0|2,0,1]=4 171 B6R0.1 CCC[C@@H](N)CO CS-0088083 [0,0,1,0,0,0|2,0,1]=4 172 B6R0.1 CCC[C@@H](N)CO CS-1181369 [0,0,1,0,0,0|2,0,1]=4 173 B6R0.1 CCNC(=O)CC CS-0205055 [0,0,1,0,0,0|1,0,0]=2 174 B6R0.1 CCNC(=O)CCl CS-0037573 [0,0,1,0,0,0|2,0,0]=3 175 B6R0.1 CCNC(=O)CI CS-0258404 [0,0,1,0,0,0|2,0,0]=3 176 B6R0.1 CCNC(=O)CN CS-0464992 [0,0,1,0,0,0|2,0,0]=3 177 B6R0.1 CCNC(=O)CO CS-0239967 [0,0,1,0,0,0|2,0,0]=3 178 B6R0.1 CCOC(=N)CC CS-0047019 [0,0,1,0,0,0|2,0,0]=3 179 B6R0.1 CCOC(=N)CCl CS-0208478 [0,0,1,0,0,0|3,0,0]=4 180 B6R0.1 CCOC(=O)NO CS-0235105 [0,0,1,0,0,0|3,0,0]=4 181 B6R0.1 CCS(=O)CCCl CS-0697603 [0,0,1,0,0,0|2,0,0]=3 182 B6R0.1 CCSC(=O)CC CS-0313626 [0,0,1,0,0,0|1,0,0]=2 183 B6R0.1 CC[C@H](C)CCO CS-0198789 [0,0,1,0,0,0|2,0,1]=4 184 B6R0.1 CNC(=O)CCN CS-0665982 [0,0,1,0,0,0|2,0,0]=3 185 B6R0.1 CNC(=O)COC CS-0243458 [0,0,1,0,0,0|2,0,0]=3 186 B6R0.1 CNCC(=O)NC CS-0039124 [0,0,1,0,0,0|2,0,0]=3 187 B6R0.1 CNCC(=O)NC CS-0213249 [0,0,1,0,0,0|2,0,0]=3 188 B6R0.1 CONC(=O)OC CS-0160296 [0,0,1,0,0,0|3,0,0]=4 189 B6R0.1 CSCC(=O)NN CS-0224650 [0,0,1,0,0,0|3,0,0]=4 190 B6R0.1 C\N=C(/O)CCN CS-W007299 [0,0,1,0,0,0|2,0,1]=4 191 B6R0.4 C=C(C)CNCC CS-0119901 [0,0,1,0,0,0|2,0,0]=3 192 B6R0.4 CC(=O)CCCBr CS-0103669 [0,0,1,0,0,0|1,0,0]=2 193 B6R0.4 CC(=O)CSC#N CS-0239749 [0,0,1,0,0,0|2,0,1]=4 194 B6R0.4 CC(=O)NCC#N CS-0514945 [0,0,1,0,0,0|2,0,1]=4 195 B6R0.4 CC(=O)NCCN CS-W013694 [0,0,1,0,0,0|2,0,0]=3 196 B6R0.4 CC(=O)OCC#N CS-0248523 [0,0,1,0,0,0|2,0,1]=4 197 B6R0.4 CC(=O)SCCN CS-0256575 [0,0,1,0,0,0|2,0,0]=3 198 B6R0.4 CC(=O)SCCN CS-0680538 [0,0,1,0,0,0|2,0,0]=3 199 B6R0.4 CC(C)CCCI CS-0570782 [0,0,1,0,0,0|2,0,1]=4 200 B6R0.4 CC(O)CCCCl CS-0210356 [0,0,1,0,0,0|1,0,2]=4 201 B6R0.4 CCCCC(=O)Br CS-0185634 [0,0,1,0,0,0|1,0,0]=2 202 B6R0.4 CCCCC(C)Br CS-0206476 [0,0,1,0,0,0|1,0,1]=3 203 B6R0.4 CCCCC(C)Cl CS-0102663 [0,0,1,0,0,0|1,0,1]=3 204 B6R0.4 CCCCC(N)=O CS-0206049 [0,0,1,0,0,0|1,0,0]=2 205 B6R0.4 CCCNC(=N)N CS-0230450 [0,0,1,0,0,0|3,0,0]=4 206 B6R0.4 CCCNC(N)=O CS-0207277 [0,0,1,0,0,0|2,0,0]=3 207 B6R0.4 CCCNC(N)=S CS-0128708 [0,0,1,0,0,0|2,1,0]=4 208 B6R0.4 CCNCC(=O)O CS-0250575 [0,0,1,0,0,0|2,0,0]=3 209 B6R0.4 CCNCC(C)O CS-0622152 [0,0,1,0,0,0|1,0,2]=4 210 B6R0.4 CCNC[C@H](C)O CS-0670719 [0,0,1,0,0,0|1,0,2]=4 211 B6R0.4 CCOCC(=N)N CS-0299543 [0,0,1,0,0,0|3,0,0]=4 212 B6R0.4 CCOCC(C)N CS-0688785 [0,0,1,0,0,0|2,0,1]=4 213 B6R0.4 CCONC(C)=O CS-0017501 [0,0,1,0,0,0|2,0,0]=3 214 B6R0.4 CC\C=C\C(C)=O CS-0782888 [0,0,1,0,0,0|0,0,2]=3 215 B6R0.4 CNCCC(C)C CS-W018343 [0,0,1,0,0,0|2,0,1]=4 216 B6R0.4 COCCC(=N)N CS-0046979 [0,0,1,0,0,0|3,0,0]=4 217 B6R0.4 COCCC(=N)N CS-0261114 [0,0,1,0,0,0|3,0,0]=4 218 B6R0.4 COCCC(N)=O CS-0251977 [0,0,1,0,0,0|2,0,0]=3 219 B6R0.4 COCCC(N)=S CS-0355835 [0,0,1,0,0,0|2,1,0]=4 220 B6R0.4 COCCS(=O)O CS-0902763 [0,0,1,0,0,0|3,0,0]=4 221 B6R0.4 CSCCC(=N)N CS-0259328 [0,0,1,0,0,0|3,0,0]=4 222 B6R0.4 CSCCC(C)N CS-0262000 [0,0,1,0,0,0|2,0,1]=4 223 B6R0.4 CSCOC(C)=O CS-0316444 [0,0,1,0,0,0|2,0,0]=3 224 B6R0.4 C\C(O)=N\CCCl CS-W011197 [0,0,1,0,0,0|2,0,1]=4 225 B6R0.4 NC(=O)CCCCl CS-0660671 [0,0,1,0,0,0|2,0,0]=3 226 B6R0.4 NC(=O)CCCO CS-0678691 [0,0,1,0,0,0|2,0,0]=3 227 B6R0.4 NC(=O)OCCO CS-0218046 [0,0,1,0,0,0|3,0,0]=4 228 B6R0.4 NCCCC(=O)O CS-0259736 [0,0,1,0,0,0|2,0,0]=3 229 B6R0.4 NCCNC(N)=O CS-0806746 [0,0,1,0,0,0|3,0,0]=4 230 B6R0.4 NCCOC(N)=O CS-0231941 [0,0,1,0,0,0|3,0,0]=4 231 B6R0.4 O=C(O)CCCI CS-0045052 [0,0,1,0,0,0|2,0,0]=3 232 B6R0.6 C=CCCCC#N CS-0327133 [0,0,1,0,0,0|2,0,1]=4 233 B6R0.6 C=CCCCCCl CS-0267298 [0,0,1,0,0,0|2,0,0]=3 234 B6R0.6 C=CCCCCN CS-0769784 [0,0,1,0,0,0|2,0,0]=3 235 B6R0.6 C=CCSCCN CS-0252157 [0,0,1,0,0,0|3,0,0]=4 236 B6R0.6 C=COCCOC CS-0238597 [0,0,1,0,0,0|3,0,0]=4 237 B6R0.6 CC#CCCCC CS-0204679 [0,0,1,0,0,0|1,0,2]=4 238 B6R0.6 CCCCCCN CS-0214121 [0,0,1,0,0,0|1,0,1]=3 239 B6R0.6 CCCCCCN CS-0468683 [0,0,1,0,0,0|1,0,1]=3 240 B6R0.6 CCCCCNN CS-0297653 [0,0,1,0,0,0|2,0,0]=3 241 B6R0.6 CCCCOCCl CS-0517473 [0,0,1,0,0,0|2,0,1]=4 242 B6R0.6 CCCCSC#N CS-0238108 [0,0,1,0,0,0|2,0,1]=4 243 B6R0.6 CCCCSCC CS-0206090 [0,0,1,0,0,0|2,0,1]=4 244 B6R0.6 CCCNCCC CS-0515976 [0,0,1,0,0,0|2,0,1]=4 245 B6R0.6 CCCNCCC CS-0621747 [0,0,1,0,0,0|2,0,1]=4 246 B6R0.6 CCCOCC#N CS-0251393 [0,0,1,0,0,0|2,0,1]=4 247 B6R0.6 CCCSCCO CS-0358874 [0,0,1,0,0,0|1,0,2]=4 248 B6R0.6 CCNCCC#N CS-W011332 [0,0,1,0,0,0|2,0,1]=4 249 B6R0.6 CCNCCCO CS-0209413 [0,0,1,0,0,0|1,0,2]=4 250 B6R0.6 CCOCCC#N CS-W011329 [0,0,1,0,0,0|2,0,1]=4 251 B6R0.6 CCOCCCBr CS-0217812 [0,0,1,0,0,0|2,0,1]=4 252 B6R0.6 CCOCCCCl CS-0209053 [0,0,1,0,0,0|2,0,1]=4 253 B6R0.6 CCOCCCI CS-0252970 [0,0,1,0,0,0|2,0,1]=4 254 B6R0.6 CCOCCON CS-0308943 [0,0,1,0,0,0|3,0,0]=4 255 B6R0.6 CCSCCCO CS-0299691 [0,0,1,0,0,0|1,0,2]=4 256 B6R0.6 CNCCCSC CS-0238668 [0,0,1,0,0,0|3,0,0]=4 257 B6R0.6 COCCCC#N CS-0139387 [0,0,1,0,0,0|2,0,1]=4 258 B6R0.6 COCCCCN CS-0139373 [0,0,1,0,0,0|2,0,1]=4 259 B6R0.6 COCCCNN CS-0458223 [0,0,1,0,0,0|3,0,0]=4 260 B6R0.6 COCCCOC CS-0696948 [0,0,1,0,0,0|3,0,0]=4 261 B6R0.6 CSCCCC#N CS-0240117 [0,0,1,0,0,0|2,0,1]=4 262 B6R0.6 C\C=C/CCCO CS-0185820 [0,0,1,0,0,0|2,0,1]=4 263 B6R0.6 C\C=C\CCCO CS-0163135 [0,0,1,0,0,0|2,0,1]=4 264 B6R0.6 C\C=C\CCCO CS-0311846 [0,0,1,0,0,0|2,0,1]=4 265 B6R0.6 N#CCCCCI CS-0239840 [0,0,1,0,0,0|2,0,1]=4 266 B6R0.6 N#CCCCCN CS-0199681 [0,0,1,0,0,0|2,0,1]=4 267 B6R0.6 N#CCCCCN CS-0447863 [0,0,1,0,0,0|2,0,1]=4 268 B6R0.6 N#CCCCCO CS-W001265 [0,0,1,0,0,0|2,0,1]=4 269 B8R2.2 [C@H]12COC[C@@]1(N)C2 CS-0909277 [0,0,0,1,0,0|2,0,1]=4 270 B8R2.18 OC1CC2OC2C1 CS-0771546 [0,0,0,1,0,0|1,0,2]=4 271 B8R2.18 [C@H]12C[C@@H](O)C[C@H]1C2 CS-0054512 [0,0,0,1,0,0|0,0,2]=3 272 B8R2.23 C1NCC2CC1N2 CS-0748599 [0,0,0,1,0,0|2,0,1]=4 273 B8R2.34 C1CC2CC1CN2 CS-W016661 [0,0,0,1,0,0|2,0,1]=4 274 B8R2.34 [C@H]12CC[C@H](C1)NC2 CS-0067821 [0,0,0,1,0,0|2,0,1]=4 275 B8R2.38 O=C1CCC2CC12 CS-0144918 [0,0,0,1,0,0|0,0,0]=1 276 B8R2.38 [C@H]12C[C@H]1CCC2=O CS-0055792 [0,0,0,1,0,0|0,0,0]=1 277 B6R1.2 BrC1=CCCC1 CS-0205606 [0,0,0,0,1,0|1,0,1]=3 278 B6R1.2 BrC1CCNC1 CS-0256433 [0,0,0,0,1,0|2,0,1]=4 279 B6R1.2 BrC1CCSC1 CS-0242008 [0,0,0,0,1,0|2,0,1]=4 280 B6R1.2 CC1=NCCN1 CS-0282476 [0,0,0,0,1,0|3,0,0]=4 281 B6R1.2 CC1=NCCS1 CS-W013704 [0,0,0,0,1,0|3,0,0]=4 282 B6R1.2 CC1CCCN1 CS-0051829 [0,0,0,0,1,0|2,0,1]=4 283 B6R1.2 CC1CCCS1 CS-0207040 [0,0,0,0,1,0|2,0,1]=4 284 B6R1.2 C[S+]1CCCC1 CS-0503729 [0,0,0,0,1,0|2,0,0]=3 285 B6R1.2 ClC1=CCCC1 CS-0204701 [0,0,0,0,1,0|1,0,1]=3 286 B6R1.2 Cl[C@@H]1CCNC1 CS-0445255 [0,0,0,0,1,0|2,0,1]=4 287 B6R1.2 IC1=COCC1 CS-0504678 [0,0,0,0,1,0|2,0,1]=4 288 B6R1.2 IC1CCNC1 CS-0058319 [0,0,0,0,1,0|2,0,1]=4 289 B6R1.2 N=C1NCCO1 CS-0265648 [0,0,0,0,1,0|3,0,0]=4 290 B6R1.2 N=C1NCCS1 CS-W016484 [0,0,0,0,1,0|3,0,0]=4 291 B6R1.2 NC1=NCCO1 CS-0186913 [0,0,0,0,1,0|3,0,0]=4 292 B6R1.2 NC1CCSC1 CS-0184405 [0,0,0,0,1,0|2,0,1]=4 293 B6R1.2 N[C@H]1CCOC1 CS-0053253 [0,0,0,0,1,0|2,0,1]=4 294 B6R1.2 O=C1C=CCN1 CS-0135756 [0,0,0,0,1,0|1,0,2]=4 295 B6R1.2 O=C1CCON1 CS-W019350 [0,0,0,0,1,0|2,0,0]=3 296 B6R1.2 O=C1NCCN1 CS-0368270 [0,0,0,0,1,0|2,0,0]=3 297 B6R1.2 OC1=NCNC1 CS-W006727 [0,0,0,0,1,0|2,0,1]=4 298 B6R1.2 OC1CCCO1 CS-0197674 [0,0,0,0,1,0|1,0,2]=4 299 B6R1.2 [C@H]1(C)CCCN1 CS-W005764 [0,0,0,0,1,0|2,0,1]=4 300 B6R1.2 [C@H]1(N)CCNC1 CS-W017772 [0,0,0,0,1,0|2,0,1]=4 301 B8R1.22 CC1CCCCCN1 CS-0036910 [0,0,0,0,0,1|1,0,1]=3 302 B8R1.22 CC1CCCCNC1 CS-0038439 [0,0,0,0,0,1|1,0,1]=3 303 B8R1.22 CC1CCCNCC1 CS-0452269 [0,0,0,0,0,1|1,0,1]=3 304 B8R1.22 CC1CCNCCN1 CS-0623042 [0,0,0,0,0,1|2,0,1]=4 305 B8R1.22 CC1CNCCSC1 CS-0237145 [0,0,0,0,0,1|2,0,1]=4 306 B8R1.22 FC1CCCNCC1 CS-0047364 [0,0,0,0,0,1|1,0,1]=3 307 B8R1.22 NC1CCCCNC1 CS-0171603 [0,0,0,0,0,1|1,0,1]=3 308 B8R1.22 NN1CCCCCC1 CS-0204673 [0,0,0,0,0,1|2,0,0]=3 309 B8R1.22 O=C1CCOCCO1 CS-0205374 [0,0,0,0,0,1|1,0,0]=2 310 B8R1.22 O=C1CNCCCN1 CS-0067156 [0,0,0,0,0,1|1,0,0]=2 311 B8R1.22 O=C1CNCCCN1 CS-W003914 [0,0,0,0,0,1|1,0,0]=2 312 B8R1.22 O=C1CSCCSC1 CS-0259160 [0,0,0,0,0,1|1,0,0]=2 313 B8R1.22 OC1CCCNCC1 CS-0053742 [0,0,0,0,0,1|0,0,2]=3 314 B8R1.22 OC1CNCCOC1 CS-0341556 [0,0,0,0,0,1|1,0,2]=4 315 B8R1.22 O[C@@H]1CCCCNC1 CS-0464646 [0,0,0,0,0,1|0,0,2]=3 316 B8R1.22 O[C@@H]1CCCNCC1 CS-0341837 [0,0,0,0,0,1|0,0,2]=3 317 B8R1.22 O[C@H]1CCCCNC1 CS-0340118 [0,0,0,0,0,1|0,0,2]=3 318 B8R1.22 S=C1CCCCCN1 CS-W016412 [0,0,0,0,0,1|0,1,0]=2 319 B5R0.1 C=C(C)CNC CS-0162572 [1,0,1,0,0,0|2,0,0]=4 320 B5R0.1 CCCC(=O)[O-] CS-0188375 [1,0,1,0,0,0|1,0,0]=3 321 B5R0.1 CCCC(C)N CS-0216448 [1,0,1,0,0,0|1,0,1]=4 322 B5R0.1 CCCS(=O)[O-] CS-0298073 [1,0,1,0,0,0|2,0,0]=4 323 B5R0.1 CCOC(C)=S CS-0265613 [1,0,1,0,0,0|1,1,0]=4 324 B5R0.1 CC\N=C(\C)O CS-W011352 [1,0,1,0,0,0|1,0,1]=4 325 B5R0.1 CNCC(C)=O CS-0656412 [1,0,1,0,0,0|1,0,0]=3 326 B5R0.1 CNOC(C)=O CS-0449138 [1,0,1,0,0,0|2,0,0]=4 327 B5R0.1 COCC(N)=O CS-0186655 [1,0,1,0,0,0|2,0,0]=4 328 B5R0.1 CONC(C)=O CS-0235532 [1,0,1,0,0,0|2,0,0]=4 329 B5R0.1 CS(=O)CCN CS-0217217 [1,0,1,0,0,0|2,0,0]=4 330 B5R0.1 CSCC(C)=O CS-0206376 [1,0,1,0,0,0|1,0,0]=3 331 B5R0.1 NCCC(=O)[O-] CS-0771386 [1,0,1,0,0,0|2,0,0]=4 332 B5R0.2 C=CCCCN CS-0072974 [1,0,1,0,0,0|1,0,1]=4 333 B5R0.2 C=CCNCC CS-0251036 [1,0,1,0,0,0|1,0,1]=4 334 B5R0.2 CCCCCF CS-0716626 [1,0,1,0,0,0|1,0,0]=3 335 B5R0.2 CCCCCN CS-0214092 [1,0,1,0,0,0|1,0,0]=3 336 B5R0.2 CCCCNN CS-0667621 [1,0,1,0,0,0|2,0,0]=4 337 B5R0.2 CCCCO[Ti] CS-0111516 [1,0,1,0,0,0|2,0,0]=4 338 B5R0.2 CCNNCC CS-0343044 [1,0,1,0,0,0|2,0,0]=4 339 B5R0.2 CCSCCBr CS-0232073 [1,0,1,0,0,0|2,0,0]=4 340 B5R0.2 CC\C=C/CO CS-0074371 [1,0,1,0,0,0|1,0,1]=4 341 B5R0.2 CC\C=C\CBr CS-0296500 [1,0,1,0,0,0|1,0,1]=4 342 B5R0.2 CNCCOC CS-0250483 [1,0,1,0,0,0|2,0,0]=4 343 B5R0.2 COCCCI CS-0236599 [1,0,1,0,0,0|2,0,0]=4 344 B5R0.2 COCCCN CS-0162830 [1,0,1,0,0,0|2,0,0]=4 345 B5R0.2 COCCOC CS-0835969 [1,0,1,0,0,0|2,0,0]=4 346 B5R0.2 CSCCCN CS-0204914 [1,0,1,0,0,0|2,0,0]=4 347 B5R0.2 CSCCCN CS-0516616 [1,0,1,0,0,0|2,0,0]=4 348 B5R0.2 NCCCCN CS-0214045 [1,0,1,0,0,0|2,0,0]=4 349 B5R0.2 NCCCCN CS-0468676 [1,0,1,0,0,0|2,0,0]=4 350 B5R0.2 OCCCCI CS-0130048 [1,0,1,0,0,0|1,0,1]=4 351 B5R0.2 OCCCCO CS-0637550 [1,0,1,0,0,0|1,0,1]=4 352 B5R0.3 C#CC(=O)CC CS-0262502 [1,0,1,0,0,0|0,0,2]=4 353 B5R0.3 CCC(=O)SC CS-0511804 [1,0,1,0,0,0|1,0,0]=3 354 B5R0.3 CNC(=O)CO CS-0205237 [1,0,1,0,0,0|2,0,0]=4 355 B5R0.3 CNC(=O)OC CS-0211316 [1,0,1,0,0,0|2,0,0]=4 356 B5R0.3 NCC(=O)CN CS-0165855 [1,0,1,0,0,0|2,0,0]=4 357 B5R0.3 O=C(CO)CO CS-W021282 [1,0,1,0,0,0|2,0,0]=4 358 B7R0.2 CC(C)NC(=O)CN CS-0454851 [0,1,1,0,0,0|2,0,0]=4 359 B7R0.2 CNC(=O)CC(C)=O CS-0214968 [0,1,1,0,0,0|1,0,1]=4 360 B7R0.2 COC(=O)CC(C)N CS-0147335 [0,1,1,0,0,0|1,0,0]=3 361 B7R0.2 COC(=O)CC(C)O CS-0161084 [0,1,1,0,0,0|1,0,0]=3 362 B7R0.2 COC(=O)CN(C)C CS-0201680 [0,1,1,0,0,0|2,0,0]=4 363 B7R0.2 COC(=O)CN(C)C CS-0361918 [0,1,1,0,0,0|2,0,0]=4 364 B7R0.2 COC(=O)CS(C)=O CS-0231490 [0,1,1,0,0,0|2,0,0]=4 365 B7R0.3 C#CCNC(=O)CC CS-0225175 [0,1,1,0,0,0|0,0,2]=4 366 B7R0.3 C#CCOC(=O)CC CS-0464619 [0,1,1,0,0,0|0,0,2]=4 367 B7R0.3 C=CC(=O)NCCC CS-0167916 [0,1,1,0,0,0|0,0,2]=4 368 B7R0.3 C=CC(=O)OCCC CS-0870996 [0,1,1,0,0,0|0,0,2]=4 369 B7R0.3 C=CCCC(=O)CC CS-0253493 [0,1,1,0,0,0|0,0,1]=3 370 B7R0.3 C=CCCC(=O)NC CS-0666768 [0,1,1,0,0,0|1,0,1]=4 371 B7R0.3 CCC(=O)NCCN CS-0697791 [0,1,1,0,0,0|1,0,0]=3 372 B7R0.3 CCC(=O)NCCO CS-0449194 [0,1,1,0,0,0|1,0,0]=3 373 B7R0.3 CCCCC(Br)CC CS-0333705 [0,1,1,0,0,0|1,0,1]=4 374 B7R0.3 CCCCC(O)CC CS-0137777 [0,1,1,0,0,0|0,0,2]=4 375 B7R0.3 CCCNC(=O)CBr CS-0240203 [0,1,1,0,0,0|1,0,0]=3 376 B7R0.3 CCCNC(=O)CN CS-0454285 [0,1,1,0,0,0|1,0,0]=3 377 B7R0.3 CCCOC(=O)CN CS-0727430 [0,1,1,0,0,0|1,0,0]=3 378 B7R0.3 CCN(C)CCCO CS-0215025 [0,1,1,0,0,0|2,0,0]=4 379 B7R0.3 CCNCC(=O)OC CS-0342279 [0,1,1,0,0,0|1,0,0]=3 380 B7R0.3 CCOCC(=O)NN CS-0259344 [0,1,1,0,0,0|2,0,0]=4 381 B7R0.3 CCOCC(=O)OC CS-0260436 [0,1,1,0,0,0|1,0,0]=3 382 B7R0.3 CC[C@H](C)CCCO CS-0198766 [0,1,1,0,0,0|1,0,1]=4 383 B7R0.3 CC\C=C\C(=O)OC CS-0161339 [0,1,1,0,0,0|1,0,1]=4 384 B7R0.3 CC\C=C\C(=O)OC CS-0784965 [0,1,1,0,0,0|1,0,1]=4 385 B7R0.3 CNC(=O)CCCCl CS-0249742 [0,1,1,0,0,0|1,0,0]=3 386 B7R0.3 CNC(=O)CCCN CS-0207685 [0,1,1,0,0,0|1,0,0]=3 387 B7R0.3 CNC(=O)OCCO CS-0075093 [0,1,1,0,0,0|2,0,0]=4 388 B7R0.3 CNCCC(=O)NC CS-0217040 [0,1,1,0,0,0|1,0,0]=3 389 B7R0.3 CNCCC(=O)OC CS-0454555 [0,1,1,0,0,0|1,0,0]=3 390 B7R0.3 COC(=N)CCCCl CS-0309147 [0,1,1,0,0,0|2,0,0]=4 391 B7R0.3 COCCC(=O)NN CS-0318297 [0,1,1,0,0,0|2,0,0]=4 392 B7R0.3 C\C=C\CC(=O)OC CS-0185645 [0,1,1,0,0,0|1,0,1]=4 393 B7R0.3 NNC(=O)CCCO CS-0206368 [0,1,1,0,0,0|2,0,0]=4 394 B7R0.3 O=C(CCl)NCCCl CS-0715480 [0,1,1,0,0,0|2,0,0]=4 395 B7R0.5 CC(C)C(=O)NCO CS-0657430 [0,1,1,0,0,0|2,0,0]=4 396 B7R0.5 CC(C)C(=O)OCBr CS-0535236 [0,1,1,0,0,0|2,0,0]=4 397 B7R0.5 CC(C)C(=O)OCI CS-0163615 [0,1,1,0,0,0|2,0,0]=4 398 B7R0.5 CCCC(O)C(C)C CS-0331622 [0,1,1,0,0,0|0,0,2]=4 399 B7R0.5 CCNC(=O)C(C)Br CS-0666950 [0,1,1,0,0,0|1,0,0]=3 400 B7R0.5 CCNC(=O)C(C)N CS-0245127 [0,1,1,0,0,0|1,0,0]=3 401 B7R0.5 CCOC(=O)C(C)I CS-0187740 [0,1,1,0,0,0|1,0,0]=3 402 B7R0.5 CCOC(=O)C(F)I CS-0365100 [0,1,1,0,0,0|2,0,0]=4 403 B7R0.5 CCOC(=O)N(C)C CS-0112757 [0,1,1,0,0,0|2,0,0]=4 404 B7R0.5 CCOC(=O)N(C)N CS-0671499 [0,1,1,0,0,0|2,0,0]=4 405 B7R0.5 CCOC(=O)[C@@H](C)F CS-0523947 [0,1,1,0,0,0|1,0,0]=3 406 B7R0.5 CCOC(=O)[C@@H](C)N CS-W018066 [0,1,1,0,0,0|1,0,0]=3 407 B7R0.5 CN(C)C(=O)CCCl CS-0063172 [0,1,1,0,0,0|2,0,0]=4 408 B7R0.5 CN(C)C(=O)CCN CS-0051534 [0,1,1,0,0,0|2,0,0]=4 409 B7R0.5 CN(C)C(=O)CCN CS-0205808 [0,1,1,0,0,0|2,0,0]=4 410 B7R0.5 CN(C)C(=O)CCO CS-0661881 [0,1,1,0,0,0|2,0,0]=4 411 B7R0.5 CNCC(=O)N(C)C CS-0058618 [0,1,1,0,0,0|2,0,0]=4 412 B7R0.5 CNCC(=O)N(C)C CS-0058620 [0,1,1,0,0,0|2,0,0]=4 413 B7R0.7 CCCC(=O)OCCl CS-0199093 [0,1,1,0,0,0|1,0,0]=3 414 B7R0.7 CCOC(=N)CCCl CS-0681393 [0,1,1,0,0,0|2,0,0]=4 415 B7R0.7 CCOC(=S)SCC CS-0238225 [0,1,1,0,0,0|1,1,0]=4 416 B7R0.7 CCOS(=O)OCC CS-0204569 [0,1,1,0,0,0|2,0,0]=4 417 B7R0.7 O=S(CCO)CCO CS-0256472 [0,1,1,0,0,0|2,0,0]=4 418 B7R0.10 CCC(=O)C(=O)OC CS-W013615 [0,1,1,0,0,0|1,0,1]=4 419 B7R0.10 CCC(=O)C(O)CC CS-W011231 [0,1,1,0,0,0|0,0,0]=2 420 B7R0.10 CCC(=O)N(C)CC CS-0535260 [0,1,1,0,0,0|1,0,0]=3 421 B7R0.10 CCC(C)C(O)CC CS-0240206 [0,1,1,0,0,0|0,0,2]=4 422 B7R0.10 CCC(Cl)C(=O)OC CS-0250039 [0,1,1,0,0,0|1,0,0]=3 423 B7R0.10 CCC(N)C(=O)NC CS-0966086 [0,1,1,0,0,0|1,0,0]=3 424 B7R0.10 CCN(C)C(=O)CBr CS-0308602 [0,1,1,0,0,0|2,0,0]=4 425 B7R0.10 CCN(C)C(=O)CCl CS-0247887 [0,1,1,0,0,0|2,0,0]=4 426 B7R0.10 CC[C@H](N)C(=O)OC CS-W021182 [0,1,1,0,0,0|1,0,0]=3 427 B7R0.10 CNC(=O)C(C)CN CS-0727683 [0,1,1,0,0,0|2,0,0]=4 428 B7R0.10 CNC(C)C(=O)OC CS-0433213 [0,1,1,0,0,0|2,0,0]=4 429 B7R0.10 CN[C@H](C)C(=O)OC CS-0212747 [0,1,1,0,0,0|2,0,0]=4 430 B7R0.10 COC(=O)C(C)CBr CS-0565366 [0,1,1,0,0,0|2,0,0]=4 431 B7R0.10 COC(=O)C(C)OC CS-0207198 [0,1,1,0,0,0|2,0,0]=4 432 B7R0.10 COC(=O)C(C)SC CS-0272270 [0,1,1,0,0,0|2,0,0]=4 433 B7R0.10 COC(=O)C(O)CCl CS-0662697 [0,1,1,0,0,0|2,0,0]=4 434 B7R0.10 COC(=O)[C@@H](N)CN CS-0162081 [0,1,1,0,0,0|2,0,0]=4 435 B7R0.10 O=C(CO)[C@@H](O)CO CS-0436802 [0,1,1,0,0,0|2,0,0]=4 436 B7R0.11 CCS(=O)(=O)CCCl CS-0037285 [0,1,1,0,0,0|2,0,0]=4 437 B7R0.11 CCS(=O)(=O)CCN CS-0071729 [0,1,1,0,0,0|2,0,0]=4 438 B7R0.11 CCS(=O)(=O)CCN CS-0775423 [0,1,1,0,0,0|2,0,0]=4 439 B7R0.11 CCS(=O)(=O)CCO CS-0315893 [0,1,1,0,0,0|2,0,0]=4 440 B7R0.4 C#CCCCC(N)=O CS-0759267 [0,1,1,0,0,0|1,0,1]=4 441 B7R0.4 C#CCCOC(C)=O CS-0242576 [0,1,1,0,0,0|0,0,2]=4 442 B7R0.4 C=CCCOC(C)=O CS-0206024 [0,1,1,0,0,0|0,0,2]=4 443 B7R0.4 CC(=O)CCCC#N CS-0446855 [0,1,1,0,0,0|0,0,1]=3 444 B7R0.4 CC(=O)NCCCCl CS-0223153 [0,1,1,0,0,0|1,0,0]=3 445 B7R0.4 CC(=O)NCCCN CS-0200175 [0,1,1,0,0,0|1,0,0]=3 446 B7R0.4 CC(=O)NCCCN CS-0208169 [0,1,1,0,0,0|1,0,0]=3 447 B7R0.4 CC(=O)NCCCO CS-0037159 [0,1,1,0,0,0|1,0,0]=3 448 B7R0.4 CC(=O)OCCCBr CS-0130245 [0,1,1,0,0,0|1,0,0]=3 449 B7R0.4 CC(=O)SCCCCl CS-0232562 [0,1,1,0,0,0|1,0,0]=3 450 B7R0.4 CC(=O)SCCCO CS-0570855 [0,1,1,0,0,0|1,0,0]=3 451 B7R0.4 CCCCCC(=N)N CS-0239620 [0,1,1,0,0,0|2,0,0]=4 452 B7R0.4 CCCCCC(C)Cl CS-0040143 [0,1,1,0,0,0|1,0,1]=4 453 B7R0.4 CCCCC[N+](=O)[O-] CS-0222574 [0,1,1,0,0,0|2,0,0]=4 454 B7R0.4 CCCCOC(N)=O CS-0152093 [0,1,1,0,0,0|1,0,0]=3 455 B7R0.4 CCCNCC(C)O CS-0465479 [0,1,1,0,0,0|0,0,2]=4 456 B7R0.4 CCOCCC(=O)O CS-0216898 [0,1,1,0,0,0|1,0,0]=3 457 B7R0.4 CCSCCC(=O)O CS-0249654 [0,1,1,0,0,0|1,0,0]=3 458 B7R0.4 CNCCNC(C)=O CS-0234928 [0,1,1,0,0,0|1,0,0]=3 459 B7R0.4 COCCCN(C)C CS-0657529 [0,1,1,0,0,0|2,0,0]=4 460 B7R0.4 COCCNC(N)=O CS-0213036 [0,1,1,0,0,0|2,0,0]=4 461 B7R0.4 CS(=O)CCCC#N CS-0240265 [0,1,1,0,0,0|1,0,1]=4 462 B7R0.4 CSCCCC(=O)O CS-0261815 [0,1,1,0,0,0|1,0,0]=3 463 B7R0.4 CSCCCC(C)=O CS-0459306 [0,1,1,0,0,0|0,0,0]=2 464 B7R0.4 CSCCNC(N)=O CS-0244833 [0,1,1,0,0,0|2,0,0]=4 465 B7R0.4 NC(=O)CCCCO CS-0236568 [0,1,1,0,0,0|1,0,0]=3 466 B7R0.4 NC(=O)CSCCO CS-0328374 [0,1,1,0,0,0|2,0,0]=4 467 B7R0.4 NC(=O)NCCCO CS-0261419 [0,1,1,0,0,0|2,0,0]=4 468 B7R0.4 NCCCCC(=O)O CS-0214159 [0,1,1,0,0,0|1,0,0]=3 469 B7R0.4 NCCCCC(N)=O CS-0112084 [0,1,1,0,0,0|1,0,0]=3 470 B7R0.4 NCCOCC(=O)O CS-0162340 [0,1,1,0,0,0|2,0,0]=4 471 B7R0.6 C=C(C)COC(C)=O CS-0187450 [0,1,1,0,0,0|1,0,1]=4 472 B7R0.6 CC(=O)CCC(=O)[O-] CS-0187336 [0,1,1,0,0,0|1,0,1]=4 473 B7R0.6 CC(=O)CCC(=O)[O-] CS-0526568 [0,1,1,0,0,0|1,0,1]=4 474 B7R0.6 CC(=O)NNC(C)C CS-M2559 [0,1,1,0,0,0|2,0,0]=4 475 B7R0.6 CC(Br)CCC(C)Br CS-0206851 [0,1,1,0,0,0|1,0,1]=4 476 B7R0.6 CC(C)CCC(=N)N CS-0695415 [0,1,1,0,0,0|2,0,0]=4 477 B7R0.6 CC(C)CCC(C)Br CS-0669437 [0,1,1,0,0,0|1,0,1]=4 478 B7R0.6 CC(C)NCC(=O)O CS-0246606 [0,1,1,0,0,0|2,0,0]=4 479 B7R0.6 CC(N)CCC(=O)O CS-0262263 [0,1,1,0,0,0|1,0,0]=3 480 B7R0.6 CN(C)CCC(=O)O CS-0098123 [0,1,1,0,0,0|2,0,0]=4 481 B7R0.6 CN(C)CCC(N)=O CS-0231943 [0,1,1,0,0,0|2,0,0]=4 482 B7R0.6 C[C@H](N)CCC(=O)O CS-0526945 [0,1,1,0,0,0|1,0,0]=3 483 B7R0.6 C[S+](C)CCC(=O)[O-] CS-0449826 [0,1,1,0,0,0|2,0,0]=4 484 B7R0.8 CCCCP(=O)(O)O CS-0451169 [0,1,1,0,0,0|2,0,0]=4 485 B7R0.8 CCCCS(=O)(=O)F CS-0541350 [0,1,1,0,0,0|2,0,0]=4 486 B7R0.8 CCCCS(N)(=O)=O CS-0450901 [0,1,1,0,0,0|2,0,0]=4 487 B7R0.8 CCCC[N+](C)(C)C CS-0504480 [0,1,1,0,0,0|2,0,0]=4 488 B7R0.8 CNCCS(C)(=O)=O CS-0199514 [0,1,1,0,0,0|2,0,0]=4 489 B7R0.8 CS(=O)(=O)CCCCl CS-0217132 [0,1,1,0,0,0|2,0,0]=4 490 B7R0.1 C#CCCCCCI CS-0643044 [0,1,1,0,0,0|1,0,1]=4 491 B7R0.1 C#CCCCCCN CS-0104826 [0,1,1,0,0,0|1,0,1]=4 492 B7R0.1 C=CCSSCCC CS-W013303 [0,1,1,0,0,0|2,0,0]=4 493 B7R0.1 CCCCCCCF CS-0699236 [0,1,1,0,0,0|1,0,1]=4 494 B7R0.1 CCCCNCCN CS-0204694 [0,1,1,0,0,0|1,0,1]=4 495 B7R0.1 CCCCOCCBr CS-0702257 [0,1,1,0,0,0|1,0,1]=4 496 B7R0.1 CCCCOCCCl CS-0188002 [0,1,1,0,0,0|1,0,1]=4 497 B7R0.1 CCCCSCCO CS-0313179 [0,1,1,0,0,0|0,0,2]=4 498 B7R0.1 CCCNCCC#N CS-0247666 [0,1,1,0,0,0|1,0,1]=4 499 B7R0.1 CCCNCCCO CS-0209795 [0,1,1,0,0,0|0,0,2]=4 500 B7R0.1 CNCCCCCO CS-0570792 [0,1,1,0,0,0|0,0,2]=4 501 B7R0.1 COCCCCCN CS-0252365 [0,1,1,0,0,0|1,0,1]=4 502 B7R0.1 COCCCCOC CS-0699044 [0,1,1,0,0,0|2,0,0]=4 503 B7R0.1 C\C=C/CCCCC CS-0205053 [0,1,1,0,0,0|1,0,0]=3 504 B7R0.1 [NH3+]CCCCCC[NH3+] CS-0468682 [0,1,1,0,0,0|1,0,1]=4 505 B7R1.1 CNC1CCCC1 CS-0142496 [0,1,0,0,1,0|1,0,1]=4 506 B7R1.1 N#CC1=CCCC1 CS-0089734 [0,1,0,0,1,0|1,0,1]=4 507 B7R1.1 NNC1CCCC1 CS-W000556 [0,1,0,0,1,0|1,0,1]=4 508 B7R1.1 O=CC1=CCSC1 CS-0224038 [0,1,0,0,1,0|1,0,1]=4 509 B7R1.2 CC1CC(=O)NN1 CS-0242958 [0,1,0,0,1,0|2,0,0]=4 510 B7R1.2 CC1CCC(=O)N1 CS-0046659 [0,1,0,0,1,0|1,0,0]=3 511 B7R1.2 CC1CCC(O)C1 CS-0107204 [0,1,0,0,1,0|0,0,2]=4 512 B7R1.2 CC1CNC(=O)N1 CS-0040666 [0,1,0,0,1,0|2,0,0]=4 513 B7R1.2 CC1CNC(=O)O1 CS-0308136 [0,1,0,0,1,0|2,0,0]=4 514 B7R1.2 CN1CCC(=O)C1 CS-0043579 [0,1,0,0,1,0|1,0,0]=3 515 B7R1.2 CN1CCC(Br)C1 CS-W005830 [0,1,0,0,1,0|2,0,0]=4 516 B7R1.2 CN1CC[C@@H](N)C1 CS-0210749 [0,1,0,0,1,0|2,0,0]=4 517 B7R1.2 CN1CC[C@H](N)C1 CS-0172434 [0,1,0,0,1,0|2,0,0]=4 518 B7R1.2 C[C@@H]1CCC(=O)O1 CS-0063958 [0,1,0,0,1,0|1,0,0]=3 519 B7R1.2 NC1CNC(=O)C1 CS-0051034 [0,1,0,0,1,0|1,0,0]=3 520 B7R1.2 N[C@H]1CC[C@@H](N)C1 CS-0187342 [0,1,0,0,1,0|1,0,1]=4 521 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-0020859 [0,1,0,0,1,0|0,0,2]=4 522 B7R1.2 O=C1CC(O)CO1 CS-W013700 [0,1,0,0,1,0|1,0,0]=3 523 B7R1.2 O[C@H]1CC[C@@H](O)C1 CS-0049663 [0,1,0,0,1,0|0,0,2]=4 524 B7R1.4 BrC1CCCC1Br CS-0310140 [0,1,0,0,1,0|1,0,1]=4 525 B7R1.4 Br[C@@H]1CCC[C@H]1Br CS-0310307 [0,1,0,0,1,0|1,0,1]=4 526 B7R1.4 CC1CCCC1N CS-0145127 [0,1,0,0,1,0|1,0,1]=4 527 B7R1.4 CC1CCCC1O CS-0464755 [0,1,0,0,1,0|0,0,2]=4 528 B7R1.4 C[C@H]1CCC[C@@H]1O CS-0036071 [0,1,0,0,1,0|0,0,2]=4 529 B7R1.4 NC1CCCC1O CS-W005452 [0,1,0,0,1,0|0,0,2]=4 530 B7R1.4 NC1CCNC1=O CS-0067776 [0,1,0,0,1,0|1,0,0]=3 531 B7R1.4 N[C@@H]1CCC[C@H]1F CS-0047825 [0,1,0,0,1,0|1,0,1]=4 532 B7R1.4 N[C@@H]1CCC[C@H]1N CS-0047743 [0,1,0,0,1,0|1,0,1]=4 533 B7R1.4 N[C@@H]1CCNC1=O CS-0109572 [0,1,0,0,1,0|1,0,0]=3 534 B7R1.4 N[C@H]1CCNC1=O CS-0054164 [0,1,0,0,1,0|1,0,0]=3 535 B7R1.4 O=C1CCC=C1Br CS-0030114 [0,1,0,0,1,0|0,0,2]=4 536 B7R1.4 O=C1CCC=C1I CS-0208620 [0,1,0,0,1,0|0,0,2]=4 537 B7R1.4 O=C1CCCC1=O CS-0072875 [0,1,0,0,1,0|0,0,1]=3 538 B7R1.4 OC1CCCC1Br CS-0527053 [0,1,0,0,1,0|0,0,2]=4 539 B7R1.4 O[C@@H]1CCC[C@H]1F CS-0101190 [0,1,0,0,1,0|0,0,2]=4 540 B7R1.4 O[C@H]1CCC[C@H]1Cl CS-0518472 [0,1,0,0,1,0|0,0,2]=4 541 B7R1.14 CC1(Br)CCCC1 CS-0309479 [0,1,0,0,1,0|1,0,1]=4 542 B7R1.14 N=S1(=O)CCCC1 CS-0047312 [0,1,0,0,1,0|1,0,0]=3 543 B9R1.5 CN1CCCNCC1=O CS-0019243 [0,1,0,0,0,1|1,0,0]=3 544 B9R1.5 CN1CCNCCC1=O CS-0151065 [0,1,0,0,0,1|1,0,0]=3 545 B9R1.5 CN1CCNCCC1=O CS-W019138 [0,1,0,0,0,1|1,0,0]=3 546 B9R1.5 NC1CCCCNC1=O CS-M1433 [0,1,0,0,0,1|0,0,0]=2 547 B9R1.5 N[C@@H]1CCCCNC1=O CS-M3615 [0,1,0,0,0,1|0,0,0]=2 548 B9R1.5 O=C1CCCCCC1Br CS-0031643 [0,1,0,0,0,1|0,0,0]=2 549 B9R1.5 O=C1CCCCCC1Cl CS-0455523 [0,1,0,0,0,1|0,0,0]=2 550 B9R1.5 O=C1CCCCCC1O CS-0965256 [0,1,0,0,0,1|0,0,0]=2 551 B9R1.48 CC1CN(C)CCCN1 CS-0238498 [0,1,0,0,0,1|2,0,0]=4 552 B9R1.48 O=C1CCCNC(=O)C1 CS-W022572 [0,1,0,0,0,1|0,0,1]=3 553 B9R1.49 CC1CCNC(=O)CC1 CS-0742035 [0,1,0,0,0,1|0,0,0]=2 554 B9R1.49 CN1CCCC(=O)CC1 CS-0343108 [0,1,0,0,0,1|0,0,0]=2 555 B9R1.49 CN1CCCC(N)CC1 CS-0052429 [0,1,0,0,0,1|1,0,1]=4 556 B9R1.49 CN1CCCC(O)CC1 CS-0358216 [0,1,0,0,0,1|0,0,2]=4 557 B9R1.49 CN1CCCC(O)CC1 CS-W021358 [0,1,0,0,0,1|0,0,2]=4 558 B9R1.49 CN1CCNC(=O)CC1 CS-0151102 [0,1,0,0,0,1|1,0,0]=3 559 B9R1.89 CCN1CCCCCC1 CS-0454776 [0,1,0,0,0,1|2,0,0]=4 560 B9R1.89 CCN1CCCNCC1 CS-0691647 [0,1,0,0,0,1|2,0,0]=4 561 B9R1.89 CNC1CCCCCC1 CS-0213188 [0,1,0,0,0,1|1,0,1]=4 562 B9R1.89 CNC1CCCCNC1 CS-0301419 [0,1,0,0,0,1|1,0,1]=4 563 B9R1.89 COC1=NCCCCC1 CS-W019476 [0,1,0,0,0,1|0,0,1]=3 564 B9R1.89 COC1CCCNCC1 CS-0050817 [0,1,0,0,0,1|0,0,2]=4 565 B9R1.89 N#CC1CCCCNC1 CS-0494396 [0,1,0,0,0,1|1,0,1]=4 566 B9R1.89 N#CC1CCCNCC1 CS-0049916 [0,1,0,0,0,1|1,0,1]=4 567 B9R1.89 NCC1CCCCCC1 CS-W011142 [0,1,0,0,0,1|1,0,1]=4 568 B9R1.89 NNC1CCCCCC1 CS-0258115 [0,1,0,0,0,1|1,0,1]=4 569 B9R1.89 OCC1CCCCCN1 CS-0235058 [0,1,0,0,0,1|0,0,2]=4 570 B9R1.89 ON=C1CCCCCC1 CS-0449588 [0,1,0,0,0,1|0,0,1]=3 571 B9R1.148 CC1(N)CCCCCC1 CS-0253298 [0,1,0,0,0,1|1,0,1]=4 572 B9R1.148 CC1(O)CCCCCC1 CS-0309091 [0,1,0,0,0,1|0,0,2]=4 573 B9R1.148 CC1(O)CCCNCC1 CS-0037750 [0,1,0,0,0,1|0,0,2]=4 574 B9R1.1 CC1CCC(=CBr)CC1 CS-0671881 [0,2,0,0,0,0|1,0,0]=3 575 B9R1.1 CC1CCC(=NO)CC1 CS-0307774 [0,2,0,0,0,0|0,0,1]=3 576 B9R1.1 CC1CCC(C#N)CC1 CS-0250175 [0,2,0,0,0,0|1,0,1]=4 577 B9R1.1 CC1CCC(CO)CC1 CS-0205309 [0,2,0,0,0,0|0,0,2]=4 578 B9R1.1 CCC1CCC(C)CC1 CS-0451769 [0,2,0,0,0,0|1,0,1]=4 579 B9R1.1 CCN1CCC(N)CC1 CS-0150020 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.1 CC[C@H]1CC[C@H](O)CC1 CS-0180939 [0,2,0,0,0,0|0,0,2]=4 581 B9R1.1 CN1CCC(=NO)CC1 CS-0205971 [0,2,0,0,0,0|1,0,1]=4 582 B9R1.1 CN1CCC(NN)CC1 CS-0162602 [0,2,0,0,0,0|2,0,0]=4 583 B9R1.1 CNC1CCN(C)CC1 CS-0462908 [0,2,0,0,0,0|2,0,0]=4 584 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 CS-0040316 [0,2,0,0,0,0|0,0,2]=4 585 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 CS-0049672 [0,2,0,0,0,0|0,0,2]=4 586 B9R1.1 COC1CCC(N)CC1 CS-0150204 [0,2,0,0,0,0|0,0,2]=4 587 B9R1.1 NCC1CCC(=O)CC1 CS-0142280 [0,2,0,0,0,0|0,0,0]=2 588 B9R1.1 NCC1CCC(N)CC1 CS-0225319 [0,2,0,0,0,0|1,0,1]=4 589 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 CS-0049681 [0,2,0,0,0,0|0,0,2]=4 590 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 CS-0058280 [0,2,0,0,0,0|0,0,2]=4 591 B9R1.2 CC1CCCC(C#N)C1 CS-0250174 [0,2,0,0,0,0|1,0,1]=4 592 B9R1.2 CCC1CCCC(=O)C1 CS-0261625 [0,2,0,0,0,0|0,0,0]=2 593 B9R1.2 CCC1CCCC(O)C1 CS-0452622 [0,2,0,0,0,0|0,0,2]=4 594 B9R1.2 CCC1COCC(=O)N1 CS-0146685 [0,2,0,0,0,0|2,0,0]=4 595 B9R1.2 CCN1CCCC(=O)C1 CS-0309133 [0,2,0,0,0,0|1,0,0]=3 596 B9R1.2 CCN1CCCC(N)C1 CS-0030177 [0,2,0,0,0,0|2,0,0]=4 597 B9R1.2 CCN1CCCC(N)C1 CS-0285595 [0,2,0,0,0,0|2,0,0]=4 598 B9R1.2 CN1CCCC(C#N)C1 CS-0257015 [0,2,0,0,0,0|2,0,0]=4 599 B9R1.2 CN1CCCC(CN)C1 CS-0185515 [0,2,0,0,0,0|2,0,0]=4 600 B9R1.2 CN1CCC[C@H](CBr)C1 CS-0517956 [0,2,0,0,0,0|2,0,0]=4 601 B9R1.2 CN1CCC[C@H](CN)C1 CS-0053049 [0,2,0,0,0,0|2,0,0]=4 602 B9R1.2 CNC1CCCC(O)C1 CS-0340358 [0,2,0,0,0,0|0,0,2]=4 603 B9R1.2 COC1CCCC(O)C1 CS-0051287 [0,2,0,0,0,0|0,0,2]=4 604 B9R1.2 N#C[C@@H]1CCC[C@H](N)C1 CS-0463572 [0,2,0,0,0,0|1,0,1]=4 605 B9R1.2 NCC1CCCC(O)C1 CS-0130361 [0,2,0,0,0,0|0,0,2]=4 606 B9R1.2 N[C@@H]1CCC[C@@H](CO)C1 CS-0474631 [0,2,0,0,0,0|0,0,2]=4 607 B9R1.2 O=C1CCCC(CO)C1 CS-0216970 [0,2,0,0,0,0|0,0,0]=2 608 B9R1.2 O=C1CCC[C@@H](CO)N1 CS-0199303 [0,2,0,0,0,0|1,0,0]=3 609 B9R1.6 C=C(C)C1CCCCC1 CS-0245939 [0,2,0,0,0,0|1,0,1]=4 610 B9R1.6 CC(=O)C1=CNCCC1 CS-0287712 [0,2,0,0,0,0|1,0,1]=4 611 B9R1.6 CC(=O)C1CCCCN1 CS-0005346 [0,2,0,0,0,0|1,0,1]=4 612 B9R1.6 CC(N)C1CCCCC1 CS-0068108 [0,2,0,0,0,0|1,0,1]=4 613 B9R1.6 C[C@H](O)C1CCCCC1 CS-0113154 [0,2,0,0,0,0|0,0,2]=4 614 B9R1.6 NC(=O)C1=CNCCC1 CS-0033740 [0,2,0,0,0,0|1,0,1]=4 615 B9R1.6 NC(=O)C1CCCNC1 CS-0317143 [0,2,0,0,0,0|1,0,1]=4 616 B9R1.6 NC(=O)C1CCCOC1 CS-0732500 [0,2,0,0,0,0|1,0,1]=4 617 B9R1.6 NC(=O)C1CCNCC1 CS-0149954 [0,2,0,0,0,0|1,0,1]=4 618 B9R1.6 NC(=O)N1CCCCC1 CS-W013463 [0,2,0,0,0,0|1,0,0]=3 619 B9R1.6 NC(=O)[C@@H]1CCCNC1 CS-0053311 [0,2,0,0,0,0|1,0,1]=4 620 B9R1.6 NC(=O)[C@H]1CCCNC1 CS-0053247 [0,2,0,0,0,0|1,0,1]=4 621 B9R1.6 NC(=O)[C@H]1CCCNC1 CS-0055165 [0,2,0,0,0,0|1,0,1]=4 622 B9R1.6 NC(=S)C1CCCCC1 CS-0248524 [0,2,0,0,0,0|0,1,1]=4 623 B9R1.6 O=C(O)C1=CCCOC1 CS-0200180 [0,2,0,0,0,0|1,0,1]=4 624 B9R1.6 O=C(O)C1CCCCN1 CS-0043825 [0,2,0,0,0,0|1,0,1]=4 625 B9R1.6 O=C(O)[C@@H]1CCCCO1 CS-0053085 [0,2,0,0,0,0|1,0,1]=4 626 B9R1.6 O=N(=O)C1=CCCCC1 CS-0204678 [0,2,0,0,0,0|0,0,1]=3 627 B9R1.6 O=S([O-])C1CCCCC1 CS-0852908 [0,2,0,0,0,0|0,0,1]=3 628 B9R1.6 O=[N+]([O-])C1CCCCC1 CS-0083122 [0,2,0,0,0,0|0,0,1]=3 629 B9R1.8 C=C=CC1CCCCC1 CS-0763833 [0,2,0,0,0,0|1,0,1]=4 630 B9R1.8 C=CCC1CCCCC1 CS-0204332 [0,2,0,0,0,0|1,0,1]=4 631 B9R1.8 COC=C1CCSCC1 CS-0571491 [0,2,0,0,0,0|1,0,1]=4 632 B9R1.8 ICCC1CCCCC1 CS-0244784 [0,2,0,0,0,0|1,0,1]=4 633 B9R1.8 N#CCN1CCCCC1 CS-0380882 [0,2,0,0,0,0|2,0,0]=4 634 B9R1.8 NCCN1CCCCC1 CS-0034662 [0,2,0,0,0,0|2,0,0]=4 635 B9R1.8 NNCC1CCCCC1 CS-0054473 [0,2,0,0,0,0|1,0,1]=4 636 B9R1.8 NOCC1CCCCC1 CS-0287059 [0,2,0,0,0,0|0,0,2]=4 637 B9R1.8 O=CNC1=CCCCC1 CS-0122459 [0,2,0,0,0,0|0,0,1]=3 638 B9R1.8 OCC=C1CCCCC1 CS-0884166 [0,2,0,0,0,0|0,0,1]=3 639 B9R1.8 OCCN1CCCCC1 CS-0757897 [0,2,0,0,0,0|1,0,1]=4 640 B9R1.15 CC1CCCCC1C#N CS-0257388 [0,2,0,0,0,0|1,0,1]=4 641 B9R1.15 CC1CCCC\C1=N\O CS-0335335 [0,2,0,0,0,0|0,0,1]=3 642 B9R1.15 CCC1CCCCC1C CS-0451806 [0,2,0,0,0,0|1,0,1]=4 643 B9R1.15 CCN1CCNCC1=O CS-0002041 [0,2,0,0,0,0|2,0,0]=4 644 B9R1.15 CN1CCCCC1CBr CS-0216923 [0,2,0,0,0,0|2,0,0]=4 645 B9R1.15 CN[C@@H]1CCCC[C@H]1O CS-0151243 [0,2,0,0,0,0|0,0,2]=4 646 B9R1.15 COC1=CCCCC1=O CS-0340779 [0,2,0,0,0,0|0,0,2]=4 647 B9R1.15 COC1CCCCC1O CS-0758165 [0,2,0,0,0,0|0,0,2]=4 648 B9R1.15 COC1CCCNC1=O CS-0197082 [0,2,0,0,0,0|1,0,0]=3 649 B9R1.15 CSC1CCCCC1=O CS-0348680 [0,2,0,0,0,0|0,0,0]=2 650 B9R1.15 N#CC1=C(O)CCCC1 CS-0666961 [0,2,0,0,0,0|0,0,2]=4 651 B9R1.15 N#CC1CNCCC1=N CS-0324032 [0,2,0,0,0,0|2,0,0]=4 652 B9R1.15 N#CC1CNCCC1=O CS-0053685 [0,2,0,0,0,0|1,0,0]=3 653 B9R1.15 O=C1CCCCN1CCl CS-0261283 [0,2,0,0,0,0|1,0,0]=3 654 B9R1.118 CC1(C=O)CCOCC1 CS-0047859 [0,2,0,0,0,0|1,0,1]=4 655 B9R1.118 N#CC1(Cl)CCCCC1 CS-0242586 [0,2,0,0,0,0|1,0,1]=4 656 B9R1.118 N#CC1(O)CCCCC1 CS-0312430 [0,2,0,0,0,0|0,0,2]=4 657 B9R1.118 NC1(CO)CCCCC1 CS-0090679 [0,2,0,0,0,0|0,0,2]=4 658 B9R1.118 NCC1(F)CCCCC1 CS-0038542 [0,2,0,0,0,0|1,0,1]=4 659 B9R1.118 NCC1(O)CCCCC1 CS-0452099 [0,2,0,0,0,0|0,0,2]=4 660 B9R1.10 C=C1CCC(C)(C)CC1 CS-0225880 [0,2,0,0,0,0|1,0,0]=3 661 B9R1.10 CC1(C)COC(=O)OC1 CS-0206961 [0,2,0,0,0,0|2,0,0]=4 662 B9R1.10 CC1(O)CCC(O)CC1 CS-0096308 [0,2,0,0,0,0|0,0,2]=4 663 B9R1.10 CN1CCC(C)(O)CC1 CS-0265009 [0,2,0,0,0,0|2,0,0]=4 664 B9R1.10 CN1CCS(=O)(=O)CC1 CS-0091772 [0,2,0,0,0,0|2,0,0]=4 665 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 CS-0183082 [0,2,0,0,0,0|0,0,2]=4 666 B9R1.10 C[N+]1(C)CCC(=O)CC1 CS-0309093 [0,2,0,0,0,0|1,0,0]=3 667 B9R1.10 NN1CCS(=O)(=O)CC1 CS-0091774 [0,2,0,0,0,0|2,0,0]=4 668 B9R1.10 NN1CCS(=O)(=O)CC1 CS-0726004 [0,2,0,0,0,0|2,0,0]=4 669 B9R1.10 O=C1CCC(F)(F)CN1 CS-0050735 [0,2,0,0,0,0|1,0,0]=3 670 B9R1.10 O=S1(=O)CCN(O)CC1 CS-0091773 [0,2,0,0,0,0|2,0,0]=4 671 B9R1.69 CC1CCC(=O)N(C)C1 CS-0358054 [0,2,0,0,0,0|1,0,0]=3 672 B9R1.69 CC1CCC(=O)NC1=O CS-0061420 [0,2,0,0,0,0|1,0,1]=4 673 B9R1.69 CC1CCC(C)C(=O)C1 CS-0262524 [0,2,0,0,0,0|0,0,0]=2 674 B9R1.69 CC1CCC(C)C(C)C1 CS-0450064 [0,2,0,0,0,0|1,0,1]=4 675 B9R1.69 CC1CCC(C)C(O)C1 CS-0217766 [0,2,0,0,0,0|0,0,2]=4 676 B9R1.69 CC1CCC(O)C(C)C1 CS-0259125 [0,2,0,0,0,0|0,0,2]=4 677 B9R1.69 CC1CNC(=O)N(C)C1 CS-0692673 [0,2,0,0,0,0|2,0,0]=4 678 B9R1.69 CN1CC(N)CCC1=O CS-0050692 [0,2,0,0,0,0|1,0,0]=3 679 B9R1.69 CN1CCC(=O)CC1=O CS-0054999 [0,2,0,0,0,0|1,0,1]=4 680 B9R1.69 CN1CCC(N)CC1=O CS-0051055 [0,2,0,0,0,0|1,0,0]=3 681 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 CS-0002035 [0,2,0,0,0,0|2,0,0]=4 682 B9R1.69 C[C@@H]1CNC(=O)[C@@H](C)N1 CS-1057084 [0,2,0,0,0,0|2,0,0]=4 683 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 CS-0053221 [0,2,0,0,0,0|2,0,0]=4 684 B9R1.69 NC1CCC(=O)NC1=O CS-0162424 [0,2,0,0,0,0|1,0,1]=4 685 B9R1.69 N[C@@H]1CCC(=O)NC1=O CS-0129554 [0,2,0,0,0,0|1,0,1]=4 686 B9R1.3 CC1CCCC(=O)C1=O CS-0206920 [0,2,0,0,0,0|0,0,1]=3 687 B9R1.3 CC1CCCC(C)C1N CS-0246600 [0,2,0,0,0,0|1,0,1]=4 688 B9R1.3 CC1CCCC(C)C1N CS-0469738 [0,2,0,0,0,0|1,0,1]=4 689 B9R1.3 CC1CCCC(C)C1O CS-0206011 [0,2,0,0,0,0|0,0,2]=4 690 B9R1.3 CC1NCCN(C)C1=O CS-0309082 [0,2,0,0,0,0|2,0,0]=4 691 B9R1.3 C[C@@H]1NCCN(C)C1=O CS-0055774 [0,2,0,0,0,0|2,0,0]=4 692 B9R1.3 O=C1CCCC(O)=C1I CS-0051342 [0,2,0,0,0,0|0,0,2]=4 693 B9R1.34 CC1CC(=O)C=C(N)C1 CS-0208558 [0,2,0,0,0,0|0,0,2]=4 694 B9R1.34 CC1CC(=O)CC(C)C1 CS-W013493 [0,2,0,0,0,0|0,0,0]=2 695 B9R1.34 CC1CC(=O)CC(C)O1 CS-0054532 [0,2,0,0,0,0|1,0,0]=3 696 B9R1.34 CC1CC(=O)NC(=O)C1 CS-0077338 [0,2,0,0,0,0|1,0,1]=4 697 B9R1.34 C[C@@H]1CC(O)C[C@H](C)C1 CS-0479885 [0,2,0,0,0,0|0,0,2]=4 698 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 CS-0056845 [0,2,0,0,0,0|1,0,0]=3 699 B9R1.34 NC1CC(=O)NC(=O)C1 CS-0051035 [0,2,0,0,0,0|1,0,1]=4 700 B9R1.34 O[C@H]1C[C@@H](O)C[C@@H](O)C1 CS-0453039 [0,2,0,0,0,0|0,0,2]=4 701 B9R1.66 CC1(C)CCCC(O)C1 CS-0671639 [0,2,0,0,0,0|0,0,2]=4 702 B9R1.66 CC1(C)CCNC(=O)C1 CS-0727663 [0,2,0,0,0,0|1,0,0]=3 703 B9R1.66 CC1CCCC(C)(C)C1 CS-0450794 [0,2,0,0,0,0|1,0,1]=4 704 B9R1.66 CC1CCCC(C)(O)C1 CS-0246764 [0,2,0,0,0,0|0,0,2]=4 705 B9R1.66 C[C@@]1(O)CCOC(=O)C1 CS-0113822 [0,2,0,0,0,0|1,0,0]=3 706 B9R1.66 NC1CCCC(F)(F)C1 CS-W019231 [0,2,0,0,0,0|1,0,1]=4 707 B9R1.66 NC1CCCS(=O)(=O)C1 CS-0476204 [0,2,0,0,0,0|1,0,0]=3 708 B9R1.40 CC1(C)CCCNC1=O CS-0183562 [0,2,0,0,0,0|1,0,0]=3 709 B9R1.40 CC1(C)COCCC1=O CS-0051615 [0,2,0,0,0,0|1,0,0]=3 710 B9R1.40 CC1CCCCC1(F)F CS-0455406 [0,2,0,0,0,0|1,0,1]=4 711 B9R1.40 O=C1CCNCC1(F)F CS-0037078 [0,2,0,0,0,0|1,0,0]=3 712 B9R1.40 O=C1NCCCC1(Br)Br CS-0149746 [0,2,0,0,0,0|1,0,0]=3 713 B7R1.8 O=C1CCC1CO CS-0045469 [0,0,1,1,0,0|1,0,0]=3 714 B7R1.21 CCCC1(N)CC1 CS-0260627 [0,0,1,1,0,0|1,0,1]=4 715 B7R1.22 CCC(=O)C1CC1 CS-0052572 [0,0,1,1,0,0|0,0,0]=2 716 B7R1.22 CNC(=O)C1CC1 CS-0106601 [0,0,1,1,0,0|1,0,0]=3 717 B7R1.22 COC(=O)C1CN1 CS-W016648 [0,0,1,1,0,0|2,0,0]=4 718 B7R1.18 CC(=O)C1COC1 CS-0056978 [0,0,1,1,0,0|1,0,0]=3 719 B7R1.18 C[C@H](O)C1CCC1 CS-0144927 [0,0,1,1,0,0|0,0,2]=4 720 B7R1.18 N=C(N)C1CCC1 CS-0049636 [0,0,1,1,0,0|2,0,0]=4 721 B7R1.18 NC(=O)C1CNC1 CS-0053755 [0,0,1,1,0,0|2,0,0]=4 722 B7R1.18 NC(=O)C1CNC1 CS-0247363 [0,0,1,1,0,0|2,0,0]=4 723 B7R1.18 NC(=O)C1CNC1 CS-W000790 [0,0,1,1,0,0|2,0,0]=4 724 B7R1.18 [C@H]1(C(=O)O)CCN1 CS-0044037 [0,0,1,1,0,0|2,0,0]=4 725 B7R1.20 CC(=O)CC1CC1 CS-0342620 [0,0,1,1,0,0|0,0,0]=2 726 B7R1.20 CC(N)CC1CC1 CS-0567825 [0,0,1,1,0,0|1,0,1]=4 727 B7R1.20 NC(=O)CC1CC1 CS-0055986 [0,0,1,1,0,0|1,0,0]=3 728 B9R2.21 CC1CCC2OC2C1 CS-0451652 [0,0,0,1,0,1|1,0,1]=4 729 B9R2.33 CN1CC2CNC2C1 CS-0051262 [0,0,0,1,0,1|2,0,0]=4 730 B9R2.52 C1CCC2OC2CC1 CS-0249622 [0,0,0,1,0,1|0,0,2]=4 731 B9R2.68 C1CC2CNCC1C2 CS-0217853 [0,0,0,1,0,1|1,0,1]=4 732 B9R2.123 NC1C2CCCCC12 CS-0184380 [0,0,0,1,0,1|1,0,1]=4 733 B9R2.24 BrC1C2CCC1CC2 CS-0107785 [0,1,0,1,0,0|1,0,1]=4 734 B9R2.8 CN1CC2CC(C1)N2 CS-0051263 [0,1,0,1,0,0|2,0,0]=4 735 B9R2.39 NC1CC2CCC1C2 CS-0063906 [0,1,0,1,0,0|1,0,1]=4 736 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1C2 CS-0526930 [0,1,0,1,0,0|1,0,1]=4 737 B9R2.39 [C@@H]12CC[C@@H](C[C@@H]1O)C2 CS-0623502 [0,1,0,1,0,0|0,0,2]=4 738 B9R2.119 O=S1(=O)CC2OC2C1 CS-0072223 [0,1,0,1,0,0|2,0,0]=4 739 B5R1.1 C1CCCC1 CS-0069724 [1,0,0,0,1,0|0,0,0]=2 740 B5R1.1 C1CCNC1 CS-0468677 [1,0,0,0,1,0|1,0,0]=3 741 B5R1.1 C1CCOC1 CS-0085484 [1,0,0,0,1,0|1,0,0]=3 742 B5R1.1 C1COCN1 CS-0214988 [1,0,0,0,1,0|2,0,0]=4 743 B5R1.2 IC1CCC1 CS-0131037 [0,0,0,0,2,0|1,0,1]=4 744 B9R1.50 BrC1CCC=CCCC1 CS-0163431 [0,0,0,0,0,2|1,0,1]=4 745 B9R1.50 ClC1CCCCCCC1 CS-0232089 [0,0,0,0,0,2|1,0,1]=4 746 B9R1.50 OC1C=CCCCCC1 CS-0651087 [0,0,0,0,0,2|0,0,2]=4 747 B9R1.50 SC1CCCCCCC1 CS-0871643 [0,0,0,0,0,2|0,1,1]=4