0 B7R1.3 BrC1=CC=NC=C1 B2747 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.3 BrC1=CC=NC=C1 B65041 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.3 BrC1=CN=CC=C1 B2746 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.3 BrC1=NC=NC=C1 B62457 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.3 BrC1=NN=CC=C1 B26087 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.3 BrC1CCCCC1 B69054 [0,0,0,0,0,0|1,0,3]=4 6 B7R1.3 C=C1CCNCC1 M19855 [0,0,0,0,0,0|2,0,2]=4 7 B7R1.3 C=C1CCOCC1 M23324 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.3 CC1=CC=CN=N1 M0216 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.3 CC1=CCCNC1 M12102 [0,0,0,0,0,0|2,0,1]=3 10 B7R1.3 CC1=CCNCC1 M26826 [0,0,0,0,0,0|2,0,1]=3 11 B7R1.3 CC1=CN=NC=C1 M3532 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.3 CC1=NC=NC=C1 M7491 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,0,0,0,0,0|2,0,2]=4 14 B7R1.3 C[C@H]1CCCCN1 M43475 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.3 ClC1=CC=NC=C1 C39170 [0,0,0,0,0,0|2,0,2]=4 16 B7R1.3 ClC1=CN=CC=C1 C68367 [0,0,0,0,0,0|2,0,2]=4 17 B7R1.3 ClC1=CN=NC=C1 C37590 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.3 ClC1=NC=NC=C1 C0425 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.3 ClC1=NN=CC=C1 C7487 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.3 FC1=CC=NC=C1 F2970 [0,0,0,0,0,0|2,0,2]=4 21 B7R1.3 FC1=CN=CC=C1 F1892 [0,0,0,0,0,0|2,0,2]=4 22 B7R1.3 FC1=NC=CC=C1 F4862 [0,0,0,0,0,0|2,0,2]=4 23 B7R1.3 F[C@@H]1CCCNC1 F7495 [0,0,0,0,0,0|2,0,2]=4 24 B7R1.3 F[C@H]1CCCNC1 F1651 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.3 F[C@H]1CCCNC1 F7461 [0,0,0,0,0,0|2,0,2]=4 26 B7R1.3 IC1=CC=CC=C1 I38419 [0,0,0,0,0,0|1,0,3]=4 27 B7R1.3 IC1=CC=NC=C1 I3870 [0,0,0,0,0,0|2,0,2]=4 28 B7R1.3 IC1=CN=CC=C1 I16635 [0,0,0,0,0,0|2,0,2]=4 29 B7R1.3 IC1=NC=CC=C1 K67594 [0,0,0,0,0,0|2,0,2]=4 30 B7R1.3 NC1=CC=CN=N1 A6039 [0,0,0,0,0,0|3,0,1]=4 31 B7R1.3 NC1=CN=NC=C1 A3533 [0,0,0,0,0,0|3,0,1]=4 32 B7R1.3 NC1=CN=NC=C1 A7237 [0,0,0,0,0,0|3,0,1]=4 33 B7R1.3 NC1=NC=CC=C1 A23973 [0,0,0,0,0,0|2,0,2]=4 34 B7R1.3 NC1=NC=NC=C1 A12258 [0,0,0,0,0,0|3,0,1]=4 35 B7R1.3 NC1=NCCCN1 A40341 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.3 NC1CCCCC1 C39283 [0,0,0,0,0,0|1,0,3]=4 37 B7R1.3 N[C@@H]1CCCNC1 A10836 [0,0,0,0,0,0|2,0,2]=4 38 B7R1.3 N[C@@H]1CCCNC1 P32424 [0,0,0,0,0,0|2,0,2]=4 39 B7R1.3 N[C@@H]1CCCOC1 X18615 [0,0,0,0,0,0|2,0,2]=4 40 B7R1.3 N[C@H]1CCCNC1 P41385 [0,0,0,0,0,0|2,0,2]=4 41 B7R1.3 N[C@H]1CCCNC1 P67457 [0,0,0,0,0,0|2,0,2]=4 42 B7R1.3 N[C@H]1CCCOC1 T1132 [0,0,0,0,0,0|2,0,2]=4 43 B7R1.3 N[C@H]1CCCOC1 X17960 [0,0,0,0,0,0|2,0,2]=4 44 B7R1.3 O=C1C=CC=NN1 P5932 [0,0,0,0,0,0|2,0,1]=3 45 B7R1.3 O=C1C=CCCN1 D67780 [0,0,0,0,0,0|1,0,0]=1 46 B7R1.3 O=C1C=CCOC1 P26982 [0,0,0,0,0,0|1,0,0]=1 47 B7R1.3 O=C1C=CN=CN1 P0246 [0,0,0,0,0,0|2,0,1]=3 48 B7R1.3 O=C1C=COC=C1 P40862 [0,0,0,0,0,0|1,0,2]=3 49 B7R1.3 O=C1C=NC=CN1 H68630 [0,0,0,0,0,0|2,0,2]=4 50 B7R1.3 O=C1CCCCN1 P69632 [0,0,0,0,0,0|1,0,1]=2 51 B7R1.3 O=C1CCCNC1 P1523 [0,0,0,0,0,0|1,0,1]=2 52 B7R1.3 O=C1CCCNC1 P31811 [0,0,0,0,0,0|1,0,1]=2 53 B7R1.3 O=C1CCCOC1 T7026 [0,0,0,0,0,0|1,0,1]=2 54 B7R1.3 O=C1CCCSC1 T1776 [0,0,0,0,0,0|1,0,1]=2 55 B7R1.3 O=C1CCNCC1 P23503 [0,0,0,0,0,0|1,0,2]=3 56 B7R1.3 O=C1CCOCC1 T4632 [0,0,0,0,0,0|1,0,2]=3 57 B7R1.3 O=C1CCSCC1 T6200 [0,0,0,0,0,0|1,0,2]=3 58 B7R1.3 O=C1CNCCN1 P10419 [0,0,0,0,0,0|2,0,1]=3 59 B7R1.3 O=C1COCCN1 M7700 [0,0,0,0,0,0|2,0,1]=3 60 B7R1.3 O=C1COCCO1 D38663 [0,0,0,0,0,0|2,0,1]=3 61 B7R1.3 O=C1CSCCN1 T40230 [0,0,0,0,0,0|2,0,1]=3 62 B7R1.3 O=C1N=CC=CN1 P67458 [0,0,0,0,0,0|2,0,2]=4 63 B7R1.3 O=S1CCNCC1 T5787 [0,0,0,0,0,0|2,0,2]=4 64 B7R1.3 OC1=CC=NC=C1 H10331 [0,0,0,0,0,0|1,0,3]=4 65 B7R1.3 OC1=CN=NC=C1 H22270 [0,0,0,0,0,0|2,0,2]=4 66 B7R1.3 OC1=CN=NC=C1 P40299 [0,0,0,0,0,0|2,0,2]=4 67 B7R1.3 OC1=NC=CC=C1 P61113 [0,0,0,0,0,0|1,0,3]=4 68 B7R1.3 OC1=NC=NC=C1 P32223 [0,0,0,0,0,0|2,0,2]=4 69 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,0,0,0,0,0|1,0,3]=4 70 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,0,0,0,0,0|1,0,3]=4 71 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,0,0,0,0,0|1,0,3]=4 72 B7R1.3 O[C@H]1CCCNC1 H0276 [0,0,0,0,0,0|1,0,3]=4 73 B7R1.3 O[C@H]1CCCNC1 H10264 [0,0,0,0,0,0|1,0,3]=4 74 B7R1.3 O[C@H]1CCCNC1 H10265 [0,0,0,0,0,0|1,0,3]=4 75 B7R1.3 O[C@H]1CCCNC1 H4736 [0,0,0,0,0,0|1,0,3]=4 76 B7R1.3 O[C@H]1CCCOC1 H11398 [0,0,0,0,0,0|1,0,3]=4 77 B7R1.3 O[C@H]1CCCOC1 T25087 [0,0,0,0,0,0|1,0,3]=4 78 B7R1.3 S=C1C=CN=CN1 P40081 [0,0,0,0,0,0|2,1,1]=4 79 B7R1.3 S[C@H]1CCCNC1 P15399 [0,0,0,0,0,0|1,1,2]=4 80 B7R1.3 [Mg+]C1=CC=CC=C1 P31728 [0,0,0,0,0,0|1,0,3]=4 81 B7R1.3 [Mg+]C1=CN=CC=C1 P8350 [0,0,0,0,0,0|2,0,2]=4 82 B7R1.3 [Mg+]C1=NC=CC=C1 P8351 [0,0,0,0,0,0|2,0,2]=4 83 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,0,0,0,0,0|1,0,3]=4 84 B6R1.1 C1=CC=CC=C1 B62491 [1,0,0,0,0,0|0,0,3]=4 85 B6R1.1 C1=CC=NC=C1 M38695 [1,0,0,0,0,0|1,0,2]=4 86 B6R1.1 C1=CC=NC=C1 P60750 [1,0,0,0,0,0|1,0,2]=4 87 B6R1.1 C1=CC=NC=C1 P60758 [1,0,0,0,0,0|1,0,2]=4 88 B6R1.1 C1=CC=NC=C1 P69056 [1,0,0,0,0,0|1,0,2]=4 89 B6R1.1 C1=CCNCC1 T0540 [1,0,0,0,0,0|1,0,1]=3 90 B6R1.1 C1=CCOCC1 D10810 [1,0,0,0,0,0|1,0,1]=3 91 B6R1.1 C1=CN=NC=C1 P40319 [1,0,0,0,0,0|2,0,1]=4 92 B6R1.1 C1=CN=NC=C1 P67868 [1,0,0,0,0,0|2,0,1]=4 93 B6R1.1 C1CCNCC1 P67647 [1,0,0,0,0,0|1,0,2]=4 94 B6R1.1 C1CCNNC1 H8288 [1,0,0,0,0,0|2,0,1]=4 95 B6R1.1 C1CCONC1 X13780 [1,0,0,0,0,0|2,0,1]=4 96 B6R1.1 C1CCONC1 X40342 [1,0,0,0,0,0|2,0,1]=4 97 B6R1.1 C1CNCOC1 X40263 [1,0,0,0,0,0|2,0,1]=4 98 B8R1.2 BrCC1=CCCCC1 B10308 [0,1,0,0,0,0|1,0,1]=3 99 B8R1.2 COC1=CCOCC1 M5825 [0,1,0,0,0,0|1,0,2]=4 100 B8R1.2 N#CC1=CCCCO1 D43135 [0,1,0,0,0,0|2,0,1]=4 101 B8R1.2 O=CC1=CC=NC=C1 P42598 [0,1,0,0,0,0|1,0,2]=4 102 B8R1.2 O=CC1=CCCOC1 D43308 [0,1,0,0,0,0|1,0,1]=3 103 B8R1.2 O=CC1=CN=CC=C1 P13753 [0,1,0,0,0,0|1,0,2]=4 104 B8R1.2 O=CC1=CN=NC=C1 P7445 [0,1,0,0,0,0|2,0,1]=4 105 B8R1.2 O=CC1=COCCC1 D43307 [0,1,0,0,0,0|1,0,0]=2 106 B8R1.2 O=CC1=NC=CC=C1 P67836 [0,1,0,0,0,0|1,0,2]=4 107 B8R1.2 O=CC1=NC=NC=C1 P40755 [0,1,0,0,0,0|2,0,1]=4 108 B8R1.2 O=CN1CCCCC1 P68910 [0,1,0,0,0,0|1,0,2]=4 109 B8R1.2 O=C[C@@H]1CCC=CO1 D15376 [0,1,0,0,0,0|1,0,2]=4 110 B8R1.3 CC1=CNC(=O)C=C1 M68372 [0,1,0,0,0,0|1,0,2]=4 111 B8R1.3 CC1=NNC(=O)C=C1 M0242 [0,1,0,0,0,0|2,0,1]=4 112 B8R1.3 CC1=NNC(=O)C=C1 M25029 [0,1,0,0,0,0|2,0,1]=4 113 B8R1.3 CC1=NNC(=O)C=C1 M41309 [0,1,0,0,0,0|2,0,1]=4 114 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,1,0,0,0,0|2,0,1]=4 115 B8R1.3 CC1CCC(=O)CC1 M39288 [0,1,0,0,0,0|0,0,2]=3 116 B8R1.3 CN1CCC(=O)CC1 M28326 [0,1,0,0,0,0|1,0,2]=4 117 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,1,0,0,0,0|2,0,1]=4 118 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,1,0,0,0,0|1,0,1]=3 119 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,1,0,0,0,0|2,0,1]=4 120 B8R1.3 NC1=NNC(=O)C=C1 A40132 [0,1,0,0,0,0|2,0,1]=4 121 B8R1.3 NC1CCC(=O)CC1 A38581 [0,1,0,0,0,0|0,0,2]=3 122 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,1,0,0,0,0|1,0,1]=3 123 B8R1.3 O=C1C=CC(Br)=NN1 B38928 [0,1,0,0,0,0|2,0,1]=4 124 B8R1.3 O=C1C=CC(Cl)=CN1 C68182 [0,1,0,0,0,0|1,0,2]=4 125 B8R1.3 O=C1C=CC(I)=CN1 K40860 [0,1,0,0,0,0|1,0,2]=4 126 B8R1.3 O=C1C=CC(O)=CN1 H67757 [0,1,0,0,0,0|1,0,2]=4 127 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,1,0,0,0,0|1,0,2]=4 128 B8R1.3 O=C1CCC(O)CC1 H18838 [0,1,0,0,0,0|0,0,2]=3 129 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,1,0,0,0,0|1,0,1]=3 130 B8R1.4 CC1=CC(=O)NC=N1 M41027 [0,1,0,0,0,0|2,0,1]=4 131 B8R1.4 CC1=CC(=O)NN=C1 M5789 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.4 CC1=CC=CC(=O)N1 M23064 [0,1,0,0,0,0|1,0,2]=4 133 B8R1.4 CC1=NC=CC(=O)N1 M41026 [0,1,0,0,0,0|2,0,1]=4 134 B8R1.4 CN1CCCC(=O)C1 M13651 [0,1,0,0,0,0|1,0,1]=3 135 B8R1.4 CN1CCNC(=O)C1 M6975 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.4 CN1CCOC(=O)C1 M41260 [0,1,0,0,0,0|2,0,1]=4 137 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,0,0,0|1,0,2]=4 138 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,0,0,0|1,0,2]=4 139 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,1,0,0,0,0|2,0,1]=4 141 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,0,0,0|1,0,2]=4 142 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,0,0,0|1,0,2]=4 143 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,0,0,0|1,0,2]=4 144 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,0,0,0|1,0,2]=4 145 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,0,0,0|1,0,2]=4 146 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,0,0,0|1,0,1]=3 147 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,1,0,0,0,0|1,0,1]=3 148 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,1,0,0,0,0|2,0,1]=4 149 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,1,0,0,0,0|0,0,0]=1 150 B8R1.4 NC1=CC(=O)NC=C1 A0052 [0,1,0,0,0,0|1,0,2]=4 151 B8R1.4 NC1=CC(=O)NN=C1 A12960 [0,1,0,0,0,0|2,0,1]=4 152 B8R1.4 NC1=NC=CC(=O)N1 A7573 [0,1,0,0,0,0|2,0,1]=4 153 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,1,0,0,0,0|1,0,1]=3 154 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,1,0,0,0,0|1,0,1]=3 155 B8R1.4 O=C1C=C(Br)C=CN1 B11835 [0,1,0,0,0,0|1,0,2]=4 156 B8R1.4 O=C1C=C(Cl)C=NN1 C24776 [0,1,0,0,0,0|2,0,1]=4 157 B8R1.4 O=C1C=C(Cl)N=CN1 C23826 [0,1,0,0,0,0|2,0,1]=4 158 B8R1.4 O=C1C=C(F)C=CN1 F32104 [0,1,0,0,0,0|1,0,2]=4 159 B8R1.4 O=C1C=C(I)C=CN1 K40859 [0,1,0,0,0,0|1,0,2]=4 160 B8R1.4 O=C1C=C(I)C=NN1 I1957 [0,1,0,0,0,0|2,0,1]=4 161 B8R1.4 O=C1C=C(O)C=CN1 H69391 [0,1,0,0,0,0|1,0,2]=4 162 B8R1.4 O=C1C=CC=C(Br)N1 B13719 [0,1,0,0,0,0|1,0,2]=4 163 B8R1.4 O=C1C=CC=C(Cl)N1 C40846 [0,1,0,0,0,0|1,0,2]=4 164 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,1,0,0,0,0|0,0,1]=2 165 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,1,0,0,0,0|1,0,0]=2 166 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,1,0,0,0,0|1,0,1]=3 167 B8R1.4 O=C1CNCC(=O)N1 P10757 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.4 O=C1COCC(=O)C1 P7984 [0,1,0,0,0,0|1,0,1]=3 169 B8R1.4 O=C1CSCC(=O)C1 T15232 [0,1,0,0,0,0|1,0,1]=3 170 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,1,0,0,0,0|1,0,1]=3 171 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,1,0,0,0,0|1,0,1]=3 172 B8R1.4 O=C1[CH-]C(=O)COC1 S41303 [0,1,0,0,0,0|1,0,1]=3 173 B8R1.5 CC1=CC=CNC1=O M68618 [0,1,0,0,0,0|1,0,2]=4 174 B8R1.5 CC1=CC=NNC1=O M5790 [0,1,0,0,0,0|2,0,1]=4 175 B8R1.5 CC1=NCCCN1C D39201 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.5 CN1C=CC=CC1=O M62252 [0,1,0,0,0,0|1,0,2]=4 177 B8R1.5 CN1CCNCC1=O M12652 [0,1,0,0,0,0|2,0,1]=4 178 B8R1.5 CN1CCNCC1=O M4395 [0,1,0,0,0,0|2,0,1]=4 179 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,1,0,0,0,0|0,0,2]=3 180 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,1,0,0,0,0|1,0,1]=3 181 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,1,0,0,0,0|1,0,1]=3 182 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,1,0,0,0,0|1,0,2]=4 183 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,1,0,0,0,0|1,0,2]=4 184 B8R1.5 C[C@H]1COCCC1=O M11408 [0,1,0,0,0,0|1,0,2]=4 185 B8R1.5 NC1=CN=CNC1=O A40131 [0,1,0,0,0,0|2,0,1]=4 186 B8R1.5 NC1=CNC=CC1=O A41025 [0,1,0,0,0,0|1,0,2]=4 187 B8R1.5 NN1CCCCC1=O A41312 [0,1,0,0,0,0|1,0,1]=3 188 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,1,0,0,0,0|1,0,1]=3 189 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,1,0,0,0,0|0,0,2]=3 190 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,1,0,0,0,0|1,0,1]=3 191 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,1,0,0,0,0|1,0,1]=3 192 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,1,0,0,0,0|1,0,1]=3 193 B8R1.5 O=C1C=COC=C1O H23906 [0,1,0,0,0,0|1,0,2]=4 194 B8R1.5 O=C1CCCC=C1Br B3408 [0,1,0,0,0,0|0,0,0]=1 195 B8R1.5 O=C1CCCCC1=O C67839 [0,1,0,0,0,0|0,0,1]=2 196 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,1,0,0,0,0|1,0,2]=4 197 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,1,0,0,0,0|1,0,2]=4 198 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,1,0,0,0,0|1,0,2]=4 199 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,1,0,0,0,0|1,0,2]=4 200 B8R1.5 O=C1NC=CC=C1Br B12634 [0,1,0,0,0,0|1,0,2]=4 201 B8R1.5 O=C1NC=NC=C1Cl C12601 [0,1,0,0,0,0|2,0,1]=4 202 B8R1.5 O=C1NC=NC=C1I I12600 [0,1,0,0,0,0|2,0,1]=4 203 B8R1.5 O=C1NC=NC=C1O H40075 [0,1,0,0,0,0|2,0,1]=4 204 B8R1.5 O=C1NC=NC=C1O H40320 [0,1,0,0,0,0|2,0,1]=4 205 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,1,0,0,0,0|1,0,1]=3 206 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,1,0,0,0,0|1,0,1]=3 207 B8R1.5 O=C1NN=CC=C1Cl C10571 [0,1,0,0,0,0|2,0,1]=4 208 B8R1.5 O=C1OC=CC=C1O H39075 [0,1,0,0,0,0|1,0,2]=4 209 B8R1.72 O=S1(=O)CCCCN1 T40268 [0,1,0,0,0,0|2,0,1]=4 210 B8R1.72 O=S1(=O)CCCCO1 B69155 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.1 CC#CC(=O)OC M62298 [0,0,1,0,0,0|1,0,2]=4 212 B6R0.1 CC=CC(=O)CC H41457 [0,0,1,0,0,0|0,0,0]=1 213 B6R0.1 CCOC(=O)C#N E15572 [0,0,1,0,0,0|2,0,1]=4 214 B6R0.1 CCOC(=O)CN G69291 [0,0,1,0,0,0|2,0,1]=4 215 B6R0.1 CCOC(=O)CO E37817 [0,0,1,0,0,0|2,0,1]=4 216 B6R0.1 CCOC(=O)NN E39139 [0,0,1,0,0,0|3,0,0]=4 217 B6R0.1 CCOC(=O)OC E40254 [0,0,1,0,0,0|2,0,1]=4 218 B6R0.1 CNC(=O)CCN A40306 [0,0,1,0,0,0|2,0,1]=4 219 B6R0.1 COC(=O)CCBr M39155 [0,0,1,0,0,0|2,0,1]=4 220 B6R0.1 COC(=O)CCN M67902 [0,0,1,0,0,0|2,0,1]=4 221 B6R0.1 COC(=O)CCO M24551 [0,0,1,0,0,0|2,0,1]=4 222 B6R0.1 COC(=O)\C=C/Br B3417 [0,0,1,0,0,0|2,0,0]=3 223 B6R0.1 COC(=O)\C=C/I I2748 [0,0,1,0,0,0|2,0,0]=3 224 B6R0.1 COC(=O)\C=C\I M40173 [0,0,1,0,0,0|2,0,0]=3 225 B6R0.1 COCC(=O)NN M39884 [0,0,1,0,0,0|3,0,0]=4 226 B6R0.4 C#CCCC(=O)O P68088 [0,0,1,0,0,0|1,0,2]=4 227 B6R0.4 C=CCCC(=O)O P37823 [0,0,1,0,0,0|1,0,1]=3 228 B6R0.4 C=CCCC(N)=O P5022 [0,0,1,0,0,0|1,0,1]=3 229 B6R0.4 C=C\C=C/C(=O)O P41118 [0,0,1,0,0,0|1,0,2]=4 230 B6R0.4 CC(=O)CCCCl C68599 [0,0,1,0,0,0|1,0,1]=3 231 B6R0.4 CC(=O)NCCN A68626 [0,0,1,0,0,0|2,0,1]=4 232 B6R0.4 CC(=O)NCCO H68625 [0,0,1,0,0,0|2,0,1]=4 233 B6R0.4 CC(=O)OCCBr B67892 [0,0,1,0,0,0|2,0,1]=4 234 B6R0.4 CC(C)=CCCBr B0351 [0,0,1,0,0,0|2,0,1]=4 235 B6R0.4 CC(C)=CCC[Mg+] M31885 [0,0,1,0,0,0|2,0,1]=4 236 B6R0.4 CCCCC(=N)N P41343 [0,0,1,0,0,0|2,0,1]=4 237 B6R0.4 CCCCC(=O)[O-] S38573 [0,0,1,0,0,0|1,0,1]=3 238 B6R0.4 CCCOC(N)=O P40264 [0,0,1,0,0,0|2,0,1]=4 239 B6R0.4 CNCCC(=O)O M40350 [0,0,1,0,0,0|2,0,1]=4 240 B6R0.4 COC=CC(C)=O M41222 [0,0,1,0,0,0|1,0,0]=2 241 B6R0.4 COCCC(=O)O M40255 [0,0,1,0,0,0|2,0,1]=4 242 B6R0.4 N#CCCC(=O)O C69146 [0,0,1,0,0,0|2,0,1]=4 243 B6R0.4 NCCCC(N)=O A40304 [0,0,1,0,0,0|2,0,0]=3 244 B6R0.4 O=C(O)CCCBr B39154 [0,0,1,0,0,0|2,0,0]=3 245 B6R0.4 O=C(O)CCCCl C40232 [0,0,1,0,0,0|2,0,0]=3 246 B6R0.4 O=C(O)\C=C\CBr B37272 [0,0,1,0,0,0|2,0,0]=3 247 B6R0.6 C=CCCCCBr B9212 [0,0,1,0,0,0|1,0,1]=3 248 B6R0.6 C=CCCCCO H41549 [0,0,1,0,0,0|0,0,2]=3 249 B6R0.6 C=CCCCC[Mg+] H5025 [0,0,1,0,0,0|1,0,1]=3 250 B6R0.6 C=COCCON V65141 [0,0,1,0,0,0|3,0,0]=4 251 B6R0.6 CC=CCCCO H41548 [0,0,1,0,0,0|2,0,1]=4 252 B6R0.6 CCC\C=C\CO H41550 [0,0,1,0,0,0|0,0,2]=3 253 B6R0.6 C\C=C\C=C\CO H69109 [0,0,1,0,0,0|2,0,1]=4 254 B6R0.6 O=CCCCCCl C41277 [0,0,1,0,0,0|1,0,1]=3 255 B6R0.6 O=CCCCCO H32202 [0,0,1,0,0,0|1,0,1]=3 256 B8R2.18 O=C1CC2CC2C1 B43299 [0,0,0,1,0,0|0,0,2]=3 257 B8R2.34 C1=CC2CC1CN2 A13306 [0,0,0,1,0,0|2,0,1]=4 258 B8R2.34 C1=CC2CC1CN2 B30096 [0,0,0,1,0,0|2,0,1]=4 259 B6R1.2 BrC1=CC=CS1 B69329 [0,0,0,0,1,0|2,0,1]=4 260 B6R1.2 BrC1=CC=NN1 B10788 [0,0,0,0,1,0|3,0,0]=4 261 B6R1.2 BrC1=CC=NN1 B37723 [0,0,0,0,1,0|3,0,0]=4 262 B6R1.2 BrC1=COC=C1 B40068 [0,0,0,0,1,0|2,0,1]=4 263 B6R1.2 BrC1=CSC=C1 B39148 [0,0,0,0,1,0|2,0,1]=4 264 B6R1.2 BrC1=NOC=C1 B37012 [0,0,0,0,1,0|3,0,0]=4 265 B6R1.2 BrC1=NSC=C1 B39811 [0,0,0,0,1,0|3,0,0]=4 266 B6R1.2 CC1=CC=CN1 M37933 [0,0,0,0,1,0|2,0,1]=4 267 B6R1.2 CC1=CC=CS1 M39179 [0,0,0,0,1,0|2,0,1]=4 268 B6R1.2 CC1=CC=NO1 M24354 [0,0,0,0,1,0|3,0,0]=4 269 B6R1.2 CC1=CNC=C1 M14657 [0,0,0,0,1,0|2,0,1]=4 270 B6R1.2 CC1=NCCC1 M41239 [0,0,0,0,1,0|2,0,0]=3 271 B6R1.2 CC1=NNC=C1 M36663 [0,0,0,0,1,0|3,0,0]=4 272 B6R1.2 CC1=NOC=C1 M40157 [0,0,0,0,1,0|3,0,0]=4 273 B6R1.2 C[C@@H]1CCCN1 M23610 [0,0,0,0,1,0|2,0,1]=4 274 B6R1.2 C[C@H]1CCCN1 M21836 [0,0,0,0,1,0|2,0,1]=4 275 B6R1.2 C[C@H]1CCCN1 M24199 [0,0,0,0,1,0|2,0,1]=4 276 B6R1.2 C[C@H]1CCCN1 M24435 [0,0,0,0,1,0|2,0,1]=4 277 B6R1.2 ClC1=CC=NN1 C10789 [0,0,0,0,1,0|3,0,0]=4 278 B6R1.2 ClC1=CC=NN1 C39819 [0,0,0,0,1,0|3,0,0]=4 279 B6R1.2 ClC1=CSC=C1 C40018 [0,0,0,0,1,0|2,0,1]=4 280 B6R1.2 FC1=CC=NN1 F13459 [0,0,0,0,1,0|3,0,0]=4 281 B6R1.2 IC1=CC=CS1 K39149 [0,0,0,0,1,0|2,0,1]=4 282 B6R1.2 IC1=CC=NN1 K39821 [0,0,0,0,1,0|3,0,0]=4 283 B6R1.2 IC1=CSC=C1 K40019 [0,0,0,0,1,0|2,0,1]=4 284 B6R1.2 IC1=NNC=C1 I9931 [0,0,0,0,1,0|3,0,0]=4 285 B6R1.2 IC1CCCC1 I20419 [0,0,0,0,1,0|1,0,2]=4 286 B6R1.2 NC1=CC=NN1 P61114 [0,0,0,0,1,0|3,0,0]=4 287 B6R1.2 NC1=CC=NO1 X67704 [0,0,0,0,1,0|3,0,0]=4 288 B6R1.2 NC1=CC=NS1 T39909 [0,0,0,0,1,0|3,0,0]=4 289 B6R1.2 NC1=CSC=C1 A40167 [0,0,0,0,1,0|2,0,1]=4 290 B6R1.2 NC1=CSC=C1 T10330 [0,0,0,0,1,0|2,0,1]=4 291 B6R1.2 NC1=CSC=C1 T64858 [0,0,0,0,1,0|2,0,1]=4 292 B6R1.2 NC1=NCCC1 D38561 [0,0,0,0,1,0|2,0,0]=3 293 B6R1.2 NC1=NNC=C1 A1108 [0,0,0,0,1,0|3,0,0]=4 294 B6R1.2 NC1=NOC=C1 I0613 [0,0,0,0,1,0|3,0,0]=4 295 B6R1.2 O=C1C=CCC1 C26583 [0,0,0,0,1,0|0,0,0]=1 296 B6R1.2 O=C1C=CCO1 F5673 [0,0,0,0,1,0|1,0,0]=2 297 B6R1.2 O=C1C=CNN1 P32282 [0,0,0,0,1,0|2,0,0]=3 298 B6R1.2 O=C1C=CSN1 T60536 [0,0,0,0,1,0|2,0,0]=3 299 B6R1.2 O=C1CC=CC1 C19712 [0,0,0,0,1,0|0,0,2]=3 300 B6R1.2 O=C1CC=NN1 P39834 [0,0,0,0,1,0|2,0,1]=4 301 B6R1.2 O=C1CCNC1 P0198 [0,0,0,0,1,0|1,0,1]=3 302 B6R1.2 O=C1CCNN1 P39917 [0,0,0,0,1,0|2,0,0]=3 303 B6R1.2 O=C1CCOC1 X0391 [0,0,0,0,1,0|1,0,1]=3 304 B6R1.2 O=C1CCSC1 D10906 [0,0,0,0,1,0|1,0,1]=3 305 B6R1.2 O=C1NC=CN1 K39835 [0,0,0,0,1,0|2,0,1]=4 306 B6R1.2 O=C1NC=CO1 X39828 [0,0,0,0,1,0|2,0,1]=4 307 B6R1.2 O=C1NCCN1 K62398 [0,0,0,0,1,0|2,0,0]=3 308 B6R1.2 O=C1NCCS1 T39859 [0,0,0,0,1,0|2,0,0]=3 309 B6R1.2 OC1=NNC=C1 P24482 [0,0,0,0,1,0|2,0,1]=4 310 B8R1.22 O=C1C=CCCCC1 C67890 [0,0,0,0,0,1|0,0,0]=1 311 B8R1.22 O=C1CCCNCC1 H12307 [0,0,0,0,0,1|0,0,2]=3 312 B8R1.22 O=C1CCOCCN1 X16165 [0,0,0,0,0,1|1,0,1]=3 313 B8R1.22 O=C1CCSCCN1 T6235 [0,0,0,0,0,1|1,0,1]=3 314 B8R1.22 O=C1CNCCCN1 D38834 [0,0,0,0,0,1|1,0,1]=3 315 B5R0.1 C=C(C)OCC E5573 [1,0,1,0,0,0|2,0,0]=4 316 B5R0.1 CC(=O)CCCl C69539 [1,0,1,0,0,0|1,0,1]=4 317 B5R0.1 CCOC(C)=N E68065 [1,0,1,0,0,0|2,0,0]=4 318 B5R0.1 CNCC(=O)O M68590 [1,0,1,0,0,0|2,0,0]=4 319 B5R0.1 CNCC(N)=O M68358 [1,0,1,0,0,0|2,0,0]=4 320 B5R0.1 COCC(=O)O M69331 [1,0,1,0,0,0|2,0,0]=4 321 B5R0.1 NCCC(N)=O A67869 [1,0,1,0,0,0|2,0,0]=4 322 B5R0.1 O=C(O)\C=C\Br B9431 [1,0,1,0,0,0|2,0,0]=4 323 B5R0.2 C=CCCCBr B41237 [1,0,1,0,0,0|1,0,0]=3 324 B5R0.2 C=CCCCCl C41238 [1,0,1,0,0,0|1,0,0]=3 325 B5R0.2 C=CCCCO P36921 [1,0,1,0,0,0|0,0,1]=3 326 B5R0.2 CCO\C=C/Br B2725 [1,0,1,0,0,0|2,0,0]=4 327 B5R0.3 C=CC(=O)NC M37664 [1,0,1,0,0,0|1,0,0]=3 328 B5R0.3 CCC(=O)CN A32390 [1,0,1,0,0,0|1,0,1]=4 329 B5R0.3 CCC(=O)CO H36713 [1,0,1,0,0,0|1,0,1]=4 330 B5R0.3 CNC(=O)CBr B60913 [1,0,1,0,0,0|2,0,0]=4 331 B5R0.3 CNC(=O)CCl C67921 [1,0,1,0,0,0|2,0,0]=4 332 B5R0.3 COC(=O)CN M69126 [1,0,1,0,0,0|2,0,0]=4 333 B5R0.3 COC(=O)CO M67586 [1,0,1,0,0,0|2,0,0]=4 334 B7R0.2 CCC(=O)CC(C)=O H69646 [0,1,1,0,0,0|0,0,1]=3 335 B7R0.2 CCC(=O)OC(C)=O A41227 [0,1,1,0,0,0|1,0,0]=3 336 B7R0.2 COC(=O)C=C(C)C M41461 [0,1,1,0,0,0|1,0,0]=3 337 B7R0.2 COC(=O)C[C@@H](C)N M41333 [0,1,1,0,0,0|1,0,1]=4 338 B7R0.2 COC(=O)C[C@@H](C)O M68364 [0,1,1,0,0,0|1,0,1]=4 339 B7R0.2 COC(=O)C[C@H](C)O M37970 [0,1,1,0,0,0|1,0,1]=4 340 B7R0.2 COC(=O)\C=C(\C)N M68908 [0,1,1,0,0,0|1,0,0]=3 341 B7R0.3 C#CCNC(=O)C=C P43133 [0,1,1,0,0,0|0,0,2]=4 342 B7R0.3 C=CC(=O)NCCN A41315 [0,1,1,0,0,0|1,0,0]=3 343 B7R0.3 CCCCC(=O)NN P40425 [0,1,1,0,0,0|2,0,0]=4 344 B7R0.3 CCCOC(=O)OC M40388 [0,1,1,0,0,0|1,0,1]=4 345 B7R0.3 CNCCC(=O)OC M40412 [0,1,1,0,0,0|1,0,1]=4 346 B7R0.3 COC(=O)C=CCBr M37461 [0,1,1,0,0,0|1,0,0]=3 347 B7R0.3 COC(=O)CCCBr M39189 [0,1,1,0,0,0|1,0,1]=4 348 B7R0.3 COC(=O)CCCCl M60517 [0,1,1,0,0,0|1,0,1]=4 349 B7R0.3 COC(=O)CCCN M32376 [0,1,1,0,0,0|1,0,1]=4 350 B7R0.3 COC(=O)\C=C\CBr M41176 [0,1,1,0,0,0|1,0,0]=3 351 B7R0.3 COC=CC(=O)OC M39186 [0,1,1,0,0,0|1,0,0]=3 352 B7R0.3 CO\C=C\C(=O)OC M41228 [0,1,1,0,0,0|1,0,0]=3 353 B7R0.5 CCOC(=O)C(=O)O E36772 [0,1,1,0,0,0|2,0,0]=4 354 B7R0.5 CCOC(=O)C(C)=O E60800 [0,1,1,0,0,0|1,0,1]=4 355 B7R0.5 CCOC(=O)C(N)=O E60589 [0,1,1,0,0,0|2,0,0]=4 356 B7R0.5 CCOC(=O)C(N)=S E15645 [0,1,1,0,0,0|2,0,0]=4 357 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,1,1,0,0,0|1,0,1]=4 358 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,1,1,0,0,0|1,0,1]=4 359 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,1,1,0,0,0|1,0,1]=4 360 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,1,1,0,0,0|1,0,1]=4 361 B7R0.7 CC#CC(=O)OCC E36835 [0,1,1,0,0,0|0,0,2]=4 362 B7R0.7 CCNC(=O)NCC D40424 [0,1,1,0,0,0|1,0,1]=4 363 B7R0.7 CCOC(=O)CCBr E39188 [0,1,1,0,0,0|1,0,1]=4 364 B7R0.7 CCOC(=O)CCI E41273 [0,1,1,0,0,0|1,0,1]=4 365 B7R0.7 CCOC(=O)CCO E36682 [0,1,1,0,0,0|1,0,1]=4 366 B7R0.7 CCOC(=O)CNC S69399 [0,1,1,0,0,0|1,0,1]=4 367 B7R0.7 CCOC(=O)CSC E40386 [0,1,1,0,0,0|1,0,1]=4 368 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,1,1,0,0,0|1,0,1]=4 369 B7R0.7 CCOC(=O)\C=C\I E41181 [0,1,1,0,0,0|1,0,0]=3 370 B7R0.7 COCC(=O)COC D40391 [0,1,1,0,0,0|1,0,1]=4 371 B7R0.10 CCC(=O)C(=O)CC H41459 [0,1,1,0,0,0|0,0,1]=3 372 B7R0.10 CCC(=O)N(C)OC M40411 [0,1,1,0,0,0|2,0,0]=4 373 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [0,1,1,0,0,0|1,0,1]=4 374 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [0,1,1,0,0,0|1,0,1]=4 375 B7R0.10 CC[C@H](N)C(=O)OC M40408 [0,1,1,0,0,0|1,0,1]=4 376 B7R0.10 CC[C@H](N)C(=O)OC M41330 [0,1,1,0,0,0|1,0,1]=4 377 B7R0.10 CC[C@H](N)C(=O)OC M41334 [0,1,1,0,0,0|1,0,1]=4 378 B7R0.10 COC(=O)C(=O)CBr M2726 [0,1,1,0,0,0|2,0,0]=4 379 B7R0.4 C#CCCCC(=O)O H43301 [0,1,1,0,0,0|1,0,1]=4 380 B7R0.4 CC(=O)CCCCBr B41532 [0,1,1,0,0,0|0,0,2]=4 381 B7R0.4 CC(=O)OCCCBr B41266 [0,1,1,0,0,0|1,0,1]=4 382 B7R0.4 CC(=O)OCCCCl C39190 [0,1,1,0,0,0|1,0,1]=4 383 B7R0.4 CCCCOC(N)=O B39165 [0,1,1,0,0,0|1,0,1]=4 384 B7R0.4 CCCOCC(=O)O P40387 [0,1,1,0,0,0|1,0,1]=4 385 B7R0.4 CCC\C=C\C(=O)O H41460 [0,1,1,0,0,0|1,0,0]=3 386 B7R0.4 CCOC=CC(=O)O E41226 [0,1,1,0,0,0|1,0,0]=3 387 B7R0.4 CNCCCC(=O)O M63276 [0,1,1,0,0,0|1,0,1]=4 388 B7R0.4 COCCCC(=O)O M67387 [0,1,1,0,0,0|1,0,1]=4 389 B7R0.4 COC\C=C\C(=O)O M63576 [0,1,1,0,0,0|1,0,0]=3 390 B7R0.4 N#CCCCC(=O)O C41166 [0,1,1,0,0,0|1,0,1]=4 391 B7R0.4 NC(=O)COCCCl C40247 [0,1,1,0,0,0|2,0,0]=4 392 B7R0.4 O=C(O)CCCCBr B39187 [0,1,1,0,0,0|1,0,1]=4 393 B7R0.4 O=C(O)CCCCCl C39191 [0,1,1,0,0,0|1,0,1]=4 394 B7R0.4 O=C(O)CCCCO H37199 [0,1,1,0,0,0|1,0,1]=4 395 B7R0.4 O=C(O)CNCCO H40270 [0,1,1,0,0,0|2,0,0]=4 396 B7R0.4 O=C(O)COCCCl C40236 [0,1,1,0,0,0|2,0,0]=4 397 B7R0.4 O=C([O-])CCCCO S41306 [0,1,1,0,0,0|1,0,1]=4 398 B7R0.6 CC(=O)NNC(C)C P40426 [0,1,1,0,0,0|2,0,0]=4 399 B7R0.6 CC(=O)\C=C\N(C)C D68911 [0,1,1,0,0,0|1,0,0]=3 400 B7R0.6 O=C(O)CCC(F)F D59737 [0,1,1,0,0,0|2,0,0]=4 401 B7R0.1 C=CCCCCCBr B43831 [0,1,1,0,0,0|1,0,1]=4 402 B7R0.1 C=CCCCCNC M43901 [0,1,1,0,0,0|1,0,1]=4 403 B7R0.1 C=CCCCCNC M46504 [0,1,1,0,0,0|1,0,1]=4 404 B7R0.1 O=CCCCCC=O A3137 [0,1,1,0,0,0|0,0,1]=3 405 B7R0.1 [N-]=[N+]=NCCCC=O A3802 [0,1,1,0,0,0|2,0,0]=4 406 B7R1.1 BrCC1=CCCC1 B7551 [0,1,0,0,1,0|1,0,0]=3 407 B7R1.1 COC1=NCCC1 M69559 [0,1,0,0,1,0|1,0,1]=4 408 B7R1.1 O=CC1=CC=CN1 P64891 [0,1,0,0,1,0|1,0,1]=4 409 B7R1.1 O=CC1=CC=CS1 T68614 [0,1,0,0,1,0|1,0,1]=4 410 B7R1.1 O=CC1=CC=NO1 K40060 [0,1,0,0,1,0|2,0,0]=4 411 B7R1.1 O=CC1=CCCC1 C69466 [0,1,0,0,1,0|0,0,0]=2 412 B7R1.1 O=CC1=CNC=C1 P25022 [0,1,0,0,1,0|1,0,1]=4 413 B7R1.1 O=CC1=COC=C1 F65465 [0,1,0,0,1,0|1,0,1]=4 414 B7R1.1 O=CC1=CSC=C1 T12697 [0,1,0,0,1,0|1,0,1]=4 415 B7R1.1 O=CC1=NNC=C1 P23454 [0,1,0,0,1,0|2,0,0]=4 416 B7R1.1 O=CC1=NOC=C1 I0114 [0,1,0,0,1,0|2,0,0]=4 417 B7R1.1 O=CC1CCCC1 C25963 [0,1,0,0,1,0|0,0,2]=4 418 B7R1.2 CC1=CC(=O)CC1 M22783 [0,1,0,0,1,0|0,0,0]=2 419 B7R1.2 CC1=CC(=O)CO1 M41117 [0,1,0,0,1,0|1,0,0]=3 420 B7R1.2 CC1=CC(=O)NN1 M12010 [0,1,0,0,1,0|2,0,0]=4 421 B7R1.2 CC1=CC(=O)NO1 M68379 [0,1,0,0,1,0|2,0,0]=4 422 B7R1.2 CN1C=CC(=O)N1 M40182 [0,1,0,0,1,0|2,0,0]=4 423 B7R1.2 CN1CCC(=O)C1 M5444 [0,1,0,0,1,0|1,0,1]=4 424 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,1,0,0,1,0|1,0,0]=3 425 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,1,0,0,1,0|2,0,0]=4 426 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,1,0,0,1,0|1,0,0]=3 427 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,1,0,0,1,0|2,0,0]=4 428 B7R1.2 NC1=CC(=O)NN1 A0899 [0,1,0,0,1,0|2,0,0]=4 429 B7R1.2 NC1=NC(=O)CO1 A39836 [0,1,0,0,1,0|2,0,0]=4 430 B7R1.2 NC1=NC(=O)CS1 A2444 [0,1,0,0,1,0|2,0,0]=4 431 B7R1.2 NC1=NC(=O)CS1 A67692 [0,1,0,0,1,0|2,0,0]=4 432 B7R1.2 NC1=NCC(=O)S1 A64749 [0,1,0,0,1,0|2,0,0]=4 433 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [0,1,0,0,1,0|1,0,0]=3 434 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [0,1,0,0,1,0|1,0,0]=3 435 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [0,1,0,0,1,0|1,0,0]=3 436 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [0,1,0,0,1,0|1,0,0]=3 437 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,1,0,0,1,0|1,0,0]=3 438 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [0,1,0,0,1,0|1,0,0]=3 439 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,1,0,0,1,0|1,0,0]=3 440 B7R1.2 O=C1C=C(Br)CO1 B3416 [0,1,0,0,1,0|1,0,0]=3 441 B7R1.2 O=C1CC(O)=CO1 H1405 [0,1,0,0,1,0|1,0,1]=4 442 B7R1.2 O=C1CCC(=O)C1 C13761 [0,1,0,0,1,0|0,0,1]=3 443 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,1,0,0,1,0|0,0,1]=3 444 B7R1.2 O=C1CNC(=O)N1 K68378 [0,1,0,0,1,0|2,0,0]=4 445 B7R1.2 O=C1CNC(=O)O1 X68377 [0,1,0,0,1,0|2,0,0]=4 446 B7R1.2 O=C1CSC(=O)N1 T69276 [0,1,0,0,1,0|2,0,0]=4 447 B7R1.2 O=C1CSC(=S)N1 T68348 [0,1,0,0,1,0|2,0,0]=4 448 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,1,0,0,1,0|1,0,0]=3 449 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [0,1,0,0,1,0|1,0,0]=3 450 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,1,0,0,1,0|1,0,0]=3 451 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,1,0,0,1,0|1,0,0]=3 452 B7R1.2 O=C1OC[C@H](F)O1 F39135 [0,1,0,0,1,0|2,0,0]=4 453 B7R1.4 BrC1=C(Br)CCC1 D68539 [0,1,0,0,1,0|1,0,0]=3 454 B7R1.4 CN1CCCC1=S M6872 [0,1,0,0,1,0|1,1,0]=4 455 B7R1.4 CN1CCNC1=O M40241 [0,1,0,0,1,0|2,0,0]=4 456 B7R1.4 CN1NC=CC1=O M40184 [0,1,0,0,1,0|2,0,0]=4 457 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,1,0,0,1,0|1,0,1]=4 458 B7R1.4 C[C@H]1CCCC1=O M41458 [0,1,0,0,1,0|0,0,1]=3 459 B7R1.4 C[C@H]1CCNC1=O M41257 [0,1,0,0,1,0|1,0,0]=3 460 B7R1.4 C[C@H]1CCOC1=O M41224 [0,1,0,0,1,0|1,0,0]=3 461 B7R1.4 NN1CCCC1=O A22230 [0,1,0,0,1,0|1,0,0]=3 462 B7R1.4 N[C@@H]1CCNC1=O A40242 [0,1,0,0,1,0|1,0,0]=3 463 B7R1.4 N[C@@H]1CCNC1=O A62971 [0,1,0,0,1,0|1,0,0]=3 464 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,1,0,0,1,0|1,0,0]=3 465 B7R1.4 N[C@H]1CCNC1=O A24294 [0,1,0,0,1,0|1,0,0]=3 466 B7R1.4 N[C@H]1CCOC1=O A40300 [0,1,0,0,1,0|1,0,0]=3 467 B7R1.4 N[C@H]1CCOC1=O A40335 [0,1,0,0,1,0|1,0,0]=3 468 B7R1.4 O=C1CCC=C1Br B3409 [0,1,0,0,1,0|0,0,0]=2 469 B7R1.4 O=C1CCC=C1O H41119 [0,1,0,0,1,0|0,0,0]=2 470 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,1,0,0,1,0|1,0,0]=3 471 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,1,0,0,1,0|1,0,0]=3 472 B7R1.4 O=C1NCC[C@H]1O H40227 [0,1,0,0,1,0|1,0,0]=3 473 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,1,0,0,1,0|1,0,0]=3 474 B7R1.14 O=S1(=O)C=CCC1 D1486 [0,1,0,0,1,0|1,0,0]=3 475 B7R1.14 O=S1(=O)C=CCO1 P39851 [0,1,0,0,1,0|2,0,0]=4 476 B7R1.14 O=S1(=O)CCCN1 P12719 [0,1,0,0,1,0|2,0,0]=4 477 B7R1.14 O=S1(=O)CCCO1 X68360 [0,1,0,0,1,0|2,0,0]=4 478 B9R1.5 CN1CCCCCC1=O M39292 [0,1,0,0,0,1|0,0,2]=4 479 B9R1.5 CN1CCCNCC1=O M1178 [0,1,0,0,0,1|1,0,1]=4 480 B9R1.5 CN1CCNCCC1=O M41536 [0,1,0,0,0,1|1,0,1]=4 481 B9R1.5 CN1CCNCCC1=O M43468 [0,1,0,0,0,1|1,0,1]=4 482 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [0,1,0,0,0,1|0,0,2]=4 483 B9R1.5 N[C@H]1CCCCNC1=O A24830 [0,1,0,0,0,1|0,0,2]=4 484 B9R1.5 N[C@H]1CCCCNC1=O A43463 [0,1,0,0,0,1|0,0,2]=4 485 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,1,0,0,0,1|1,0,1]=4 486 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,1,0,0,0,1|0,0,1]=3 487 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,1,0,0,0,1|0,0,1]=3 488 B9R1.49 CN1CCNC(=O)CC1 M10175 [0,1,0,0,0,1|1,0,1]=4 489 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [0,1,0,0,0,1|0,0,2]=4 490 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [0,1,0,0,0,1|0,0,2]=4 491 B9R1.1 CCC1CCC(=O)CC1 E39441 [0,2,0,0,0,0|0,0,2]=4 492 B9R1.1 N#CC1CCC(=O)CC1 X46386 [0,2,0,0,0,0|0,0,2]=4 493 B9R1.1 NC[C@H]1CCC(=O)NC1 A10714 [0,2,0,0,0,0|1,0,1]=4 494 B9R1.1 O=C1CC[C@H](CO)CN1 H38263 [0,2,0,0,0,0|1,0,1]=4 495 B9R1.1 O=CC1CCC(=O)CC1 X43715 [0,2,0,0,0,0|0,0,2]=4 496 B9R1.2 N#C[C@H]1CCCC(=O)C1 X46385 [0,2,0,0,0,0|0,0,2]=4 497 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [0,2,0,0,0,0|1,0,1]=4 498 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [0,2,0,0,0,0|1,0,1]=4 499 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [0,2,0,0,0,0|1,0,1]=4 500 B9R1.6 O=C(O)C1=CCCCO1 D43311 [0,2,0,0,0,0|1,0,1]=4 501 B9R1.6 O=C(O)C1=COCCC1 D23573 [0,2,0,0,0,0|1,0,0]=3 502 B9R1.6 OB(O)C1=CCCCC1 C31070 [0,2,0,0,0,0|0,0,2]=4 503 B9R1.15 O=CC1=C(Cl)CCCC1 C46451 [0,2,0,0,0,0|0,0,1]=3 504 B9R1.10 CC1(C)C=CC(=O)CC1 D47014 [0,2,0,0,0,0|0,0,0]=2 505 B9R1.10 CC1(C)CCC(=O)CC1 D23641 [0,2,0,0,0,0|0,0,2]=4 506 B9R1.10 O=C1CCC(F)(F)CC1 D5709 [0,2,0,0,0,0|0,0,2]=4 507 B9R1.10 O=C1CCC(F)(F)CN1 D15393 [0,2,0,0,0,0|1,0,1]=4 508 B9R1.69 CN1CC[C@H](N)CC1=O A0206 [0,2,0,0,0,0|1,0,1]=4 509 B9R1.69 CN1CC[C@H](N)CC1=O M7462 [0,2,0,0,0,0|1,0,1]=4 510 B9R1.69 CN1C[C@@H](N)CCC1=O A0588 [0,2,0,0,0,0|1,0,1]=4 511 B9R1.69 CN1C[C@@H](N)CCC1=O A12740 [0,2,0,0,0,0|1,0,1]=4 512 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,2,0,0,0,0|1,0,0]=3 513 B9R1.69 N[C@H]1CCC(=O)NC1=O A29783 [0,2,0,0,0,0|1,0,0]=3 514 B9R1.69 N[C@H]1CCC(=O)NC1=O A41311 [0,2,0,0,0,0|1,0,0]=3 515 B9R1.69 O=C1CC[C@H](Br)C(=O)N1 B41113 [0,2,0,0,0,0|1,0,0]=3 516 B9R1.3 CC1C(=O)CCCC1=O M69234 [0,2,0,0,0,0|0,0,1]=3 517 B9R1.3 CN1C(=O)CCCC1=O M37753 [0,2,0,0,0,0|1,0,0]=3 518 B9R1.3 CN1C(=O)CNCC1=O M13399 [0,2,0,0,0,0|2,0,0]=4 519 B9R1.3 CN1CCC[C@H](N)C1=O A11570 [0,2,0,0,0,0|1,0,1]=4 520 B9R1.3 CN1CCC[C@H](N)C1=O A14658 [0,2,0,0,0,0|1,0,1]=4 521 B9R1.3 CN1CCC[C@H](N)C1=O A43470 [0,2,0,0,0,0|1,0,1]=4 522 B9R1.3 O=C1CCCC(O)=C1I H60380 [0,2,0,0,0,0|0,0,0]=2 523 B9R1.34 CC1CC(=O)CC(=O)C1 M43717 [0,2,0,0,0,0|0,0,1]=3 524 B9R1.34 O=C1CC(=O)OC(=O)C1 P40864 [0,2,0,0,0,0|1,0,1]=4 525 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,2,0,0,0,0|0,0,2]=4 526 B9R1.40 CC1(C)CCCOC1=O D63281 [0,2,0,0,0,0|1,0,1]=4 527 B7R1.22 CCC(=O)C1CC1 C24823 [0,0,1,1,0,0|0,0,2]=4 528 B7R1.22 NNC(=O)C1CC1 C7568 [0,0,1,1,0,0|2,0,0]=4 529 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,0,1,1,0,0|1,0,1]=4 530 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,0,1,1,0,0|1,0,1]=4 531 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,0,1,1,0,0|1,0,1]=4 532 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,0,1,1,0,0|1,0,1]=4 533 B7R1.12 O=C(O)C1CC1F F20460 [0,0,1,1,0,0|2,0,0]=4 534 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [0,0,1,1,0,0|2,0,0]=4 535 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [0,0,1,1,0,0|2,0,0]=4 536 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [0,0,1,1,0,0|2,0,0]=4 537 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [0,0,1,1,0,0|2,0,0]=4 538 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [0,0,1,1,0,0|2,0,0]=4 539 B7R1.18 CC(=O)C1CCC1 C22926 [0,0,1,1,0,0|0,0,2]=4 540 B7R1.18 NC(=O)C1CCC1 C36760 [0,0,1,1,0,0|1,0,1]=4 541 B7R1.18 O=C(O)C1CCC1 C39184 [0,0,1,1,0,0|1,0,1]=4 542 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,0,1,1,0,0|2,0,0]=4 543 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,0,1,1,0,0|2,0,0]=4 544 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,0,1,1,0,0|2,0,0]=4 545 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,0,1,1,0,0|2,0,0]=4 546 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,0,1,1,0,0|2,0,0]=4 547 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,0,1,1,0,0|2,0,0]=4 548 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,0,1,1,0,0|2,0,0]=4 549 B7R1.20 O=C(O)CC1CC1 C11216 [0,0,1,1,0,0|1,0,1]=4 550 B9R2.21 O=C1CC2CC2CN1 A59683 [0,0,0,1,0,1|0,0,2]=4 551 B9R2.109 O=C1CCCC2CC12 B13672 [0,0,0,1,0,1|0,0,2]=4 552 B9R2.109 O=C1CCCC2OC12 X43306 [0,0,0,1,0,1|0,0,2]=4 553 B9R2.19 O=C1NCC2CC1N2 X13999 [0,1,0,1,0,0|1,0,1]=4 554 B9R2.8 O=C1CC2CC(C1)C2 B60206 [0,1,0,1,0,0|0,0,2]=4 555 B9R2.25 O=C1OC(=O)C2CC12 X24282 [0,1,0,1,0,0|1,0,0]=3 556 B9R2.39 O=C1NC2CCC1C2 A64651 [0,1,0,1,0,0|1,0,1]=4 557 B9R2.39 O=C1OC2CCC1C2 X31814 [0,1,0,1,0,0|1,0,1]=4 558 B9R2.39 OC1CC2C=CC1C2 B43711 [0,1,0,1,0,0|1,0,1]=4 559 B5R1.1 C1=CCNC1 D40328 [1,0,0,0,1,0|1,0,0]=3 560 B5R1.1 C1=CSN=C1 T39830 [1,0,0,0,1,0|2,0,0]=4 561 B5R1.1 C1CNNC1 P39938 [1,0,0,0,1,0|2,0,0]=4 562 B5R1.2 BrC1CCC1 B23687 [0,0,0,0,2,0|1,0,1]=4 563 B5R1.2 IC1CCC1 I23424 [0,0,0,0,2,0|1,0,1]=4 564 B5R1.2 NC1CCC1 C60561 [0,0,0,0,2,0|1,0,1]=4 565 B5R1.2 O=C1CCC1 C8674 [0,0,0,0,2,0|0,0,0]=2 566 B5R1.2 O=C1CNC1 A1318 [0,0,0,0,2,0|1,0,0]=3 567 B5R1.2 O=C1COC1 O4015 [0,0,0,0,2,0|1,0,0]=3 568 B5R1.2 O=C1CSC1 T6026 [0,0,0,0,2,0|1,0,0]=3 569 B5R1.2 [Mg+]C1CCC1 P5028 [0,0,0,0,2,0|1,0,1]=4 570 B9R1.50 Br[C@@H]1CCC=CCCC1 B47049 [0,0,0,0,0,2|1,0,1]=4 571 B9R1.50 O=C1CCCCCCC1 C67881 [0,0,0,0,0,2|0,0,2]=4 572 B9R1.50 O=C1CCCCCCN1 A69570 [0,0,0,0,0,2|0,0,2]=4 573 B9R1.50 O[C@@H]1CCC=CCCC1 C9796 [0,0,0,0,0,2|0,0,2]=4