0 B6R1.2 BrC1=CC=CN1 MCULE-5264580992 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 BrC1=CC=CO1 MCULE-5734064318 [0,0,0,0,0,0|2,0,0]=2 2 B6R1.2 BrC1=CC=CS1 MCULE-1364150691 [0,0,0,0,0,0|2,1,0]=3 3 B6R1.2 BrC1=CC=C[Se]1 MCULE-9011330064 [0,0,0,0,0,0|2,1,0]=3 4 B6R1.2 BrC1=CC=NN1 MCULE-9341716246 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 BrC1=CC=NO1 MCULE-9219362534 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.2 BrC1=CC=NS1 MCULE-2346915540 [0,0,0,0,0,0|2,1,0]=3 7 B6R1.2 BrC1=CCCC1 MCULE-1008379150 [0,0,0,0,0,0|3,0,1]=4 8 B6R1.2 BrC1=CN=CO1 MCULE-5651145478 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 BrC1=CN=CO1 MCULE-8656599411 [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 BrC1=CN=CS1 MCULE-2394006568 [0,0,0,0,0,0|3,1,0]=4 11 B6R1.2 BrC1=CN=NN1 MCULE-2047133140 [0,0,0,0,0,0|4,0,0]=4 12 B6R1.2 BrC1=CNC=C1 MCULE-2704154564 [0,0,0,0,0,0|3,0,0]=3 13 B6R1.2 BrC1=CNC=N1 MCULE-7584078883 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 BrC1=CNN=C1 MCULE-2600716492 [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 BrC1=COC=C1 MCULE-7282301463 [0,0,0,0,0,0|2,0,0]=2 16 B6R1.2 BrC1=COC=N1 MCULE-3389578396 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 BrC1=COC=N1 MCULE-5006735396 [0,0,0,0,0,0|3,0,0]=3 18 B6R1.2 BrC1=COCC1 MCULE-8057569313 [0,0,0,0,0,0|2,0,2]=4 19 B6R1.2 BrC1=CON=C1 MCULE-7025802564 [0,0,0,0,0,0|3,0,0]=3 20 B6R1.2 BrC1=CSC=C1 MCULE-6680927224 [0,0,0,0,0,0|2,1,0]=3 21 B6R1.2 BrC1=CSC=N1 MCULE-6952917931 [0,0,0,0,0,0|3,1,0]=4 22 B6R1.2 BrC1=CSN=C1 MCULE-2285235944 [0,0,0,0,0,0|3,1,0]=4 23 B6R1.2 BrC1=NC=CN1 MCULE-6985395799 [0,0,0,0,0,0|4,0,0]=4 24 B6R1.2 BrC1=NC=CN1 MCULE-8632789036 [0,0,0,0,0,0|4,0,0]=4 25 B6R1.2 BrC1=NC=CO1 MCULE-2104886923 [0,0,0,0,0,0|3,0,0]=3 26 B6R1.2 BrC1=NC=CO1 MCULE-2745860961 [0,0,0,0,0,0|3,0,0]=3 27 B6R1.2 BrC1=NC=CS1 MCULE-9214561330 [0,0,0,0,0,0|3,1,0]=4 28 B6R1.2 BrC1=NC=NS1 MCULE-2591798440 [0,0,0,0,0,0|3,1,0]=4 29 B6R1.2 BrC1=NN=CN1 MCULE-7469880141 [0,0,0,0,0,0|4,0,0]=4 30 B6R1.2 BrC1=NN=CO1 MCULE-9908278798 [0,0,0,0,0,0|4,0,0]=4 31 B6R1.2 BrC1=NN=CS1 MCULE-2949971656 [0,0,0,0,0,0|4,0,0]=4 32 B6R1.2 BrC1=NOC=C1 MCULE-1786338778 [0,0,0,0,0,0|2,0,0]=2 33 B6R1.2 BrC1=NSC=C1 MCULE-5948625316 [0,0,0,0,0,0|2,1,0]=3 34 B6R1.2 BrC1=NSC=N1 MCULE-1462040970 [0,0,0,0,0,0|3,1,0]=4 35 B6R1.2 CC1=CC=CC1 MCULE-3765599626 [0,0,0,0,0,0|3,0,0]=3 36 B6R1.2 CC1=CC=CN1 MCULE-7608248575 [0,0,0,0,0,0|3,0,0]=3 37 B6R1.2 CC1=CC=CO1 MCULE-3620289319 [0,0,0,0,0,0|2,0,0]=2 38 B6R1.2 CC1=CC=CS1 MCULE-7297776024 [0,0,0,0,0,0|2,1,0]=3 39 B6R1.2 CC1=CC=NN1 MCULE-1457877312 [0,0,0,0,0,0|3,0,0]=3 40 B6R1.2 CC1=CC=NN1 MCULE-3441401586 [0,0,0,0,0,0|3,0,0]=3 41 B6R1.2 CC1=CC=NO1 MCULE-3188314923 [0,0,0,0,0,0|2,0,0]=2 42 B6R1.2 CC1=CC=NS1 MCULE-4163670775 [0,0,0,0,0,0|2,1,0]=3 43 B6R1.2 CC1=CCCC1 MCULE-8508688474 [0,0,0,0,0,0|3,0,1]=4 44 B6R1.2 CC1=CCCO1 MCULE-7276659214 [0,0,0,0,0,0|2,0,1]=3 45 B6R1.2 CC1=CCNC1 MCULE-5892113847 [0,0,0,0,0,0|3,0,1]=4 46 B6R1.2 CC1=CCNC1 MCULE-9225220351 [0,0,0,0,0,0|3,0,1]=4 47 B6R1.2 CC1=CN=CO1 MCULE-4609626879 [0,0,0,0,0,0|3,0,0]=3 48 B6R1.2 CC1=CN=CS1 MCULE-8510377651 [0,0,0,0,0,0|3,1,0]=4 49 B6R1.2 CC1=CN=NS1 MCULE-3290022680 [0,0,0,0,0,0|3,1,0]=4 50 B6R1.2 CC1=CNC=C1 MCULE-9114555776 [0,0,0,0,0,0|3,0,0]=3 51 B6R1.2 CC1=CNC=N1 MCULE-9375719449 [0,0,0,0,0,0|4,0,0]=4 52 B6R1.2 CC1=CNN=C1 MCULE-2732751720 [0,0,0,0,0,0|4,0,0]=4 53 B6R1.2 CC1=CNN=C1 MCULE-3538959589 [0,0,0,0,0,0|4,0,0]=4 54 B6R1.2 CC1=CNN=N1 MCULE-2819973344 [0,0,0,0,0,0|4,0,0]=4 55 B6R1.2 CC1=COC=C1 MCULE-1597223627 [0,0,0,0,0,0|2,0,0]=2 56 B6R1.2 CC1=COC=N1 MCULE-3497089982 [0,0,0,0,0,0|3,0,0]=3 57 B6R1.2 CC1=CON=C1 MCULE-4312100714 [0,0,0,0,0,0|3,0,0]=3 58 B6R1.2 CC1=CSC=C1 MCULE-1408158529 [0,0,0,0,0,0|2,1,0]=3 59 B6R1.2 CC1=CSC=N1 MCULE-3711308900 [0,0,0,0,0,0|3,1,0]=4 60 B6R1.2 CC1=CSN=C1 MCULE-2603580928 [0,0,0,0,0,0|3,1,0]=4 61 B6R1.2 CC1=CSN=N1 MCULE-9634894252 [0,0,0,0,0,0|4,0,0]=4 62 B6R1.2 CC1=NC=CN1 MCULE-4484196639 [0,0,0,0,0,0|4,0,0]=4 63 B6R1.2 CC1=NC=CO1 MCULE-7894525701 [0,0,0,0,0,0|3,0,0]=3 64 B6R1.2 CC1=NC=CS1 MCULE-6863408892 [0,0,0,0,0,0|3,1,0]=4 65 B6R1.2 CC1=NCCO1 MCULE-8564633040 [0,0,0,0,0,0|3,0,1]=4 66 B6R1.2 CC1=NN=CN1 MCULE-4297826922 [0,0,0,0,0,0|4,0,0]=4 67 B6R1.2 CC1=NN=CO1 MCULE-5138394000 [0,0,0,0,0,0|4,0,0]=4 68 B6R1.2 CC1=NN=CS1 MCULE-5068390093 [0,0,0,0,0,0|4,0,0]=4 69 B6R1.2 CC1=NOC=C1 MCULE-1572732397 [0,0,0,0,0,0|2,0,0]=2 70 B6R1.2 CC1=NOC=N1 MCULE-5841548711 [0,0,0,0,0,0|3,0,0]=3 71 B6R1.2 CC1=NON=C1 MCULE-7563934145 [0,0,0,0,0,0|3,0,0]=3 72 B6R1.2 CC1=NSC=C1 MCULE-6941128185 [0,0,0,0,0,0|2,1,0]=3 73 B6R1.2 CC1=NSN=C1 MCULE-8318780980 [0,0,0,0,0,0|3,1,0]=4 74 B6R1.2 CC1C=CCC1 MCULE-1638534048 [0,0,0,0,0,0|3,0,1]=4 75 B6R1.2 CN1C=CC=C1 MCULE-4929965979 [0,0,0,0,0,0|4,0,0]=4 76 B6R1.2 CN1C=CC=N1 MCULE-9409141633 [0,0,0,0,0,0|4,0,0]=4 77 B6R1.2 CN1C=CN=C1 MCULE-1468573178 [0,0,0,0,0,0|4,0,0]=4 78 B6R1.2 CN1C=CN=C1 MCULE-1857627459 [0,0,0,0,0,0|4,0,0]=4 79 B6R1.2 CN1C=CN=C1 MCULE-3087755909 [0,0,0,0,0,0|4,0,0]=4 80 B6R1.2 CN1C=CN=C1 MCULE-7326970566 [0,0,0,0,0,0|4,0,0]=4 81 B6R1.2 CN1C=CN=C1 MCULE-7347723440 [0,0,0,0,0,0|4,0,0]=4 82 B6R1.2 CN1C=CN=N1 MCULE-5243651327 [0,0,0,0,0,0|4,0,0]=4 83 B6R1.2 CN1C=C[NH+]=C1 MCULE-1511454799 [0,0,0,0,0,0|4,0,0]=4 84 B6R1.2 ClC1=CC=CO1 MCULE-3538307465 [0,0,0,0,0,0|2,0,0]=2 85 B6R1.2 ClC1=CC=CS1 MCULE-2640438050 [0,0,0,0,0,0|2,1,0]=3 86 B6R1.2 ClC1=CC=NN1 MCULE-3560728451 [0,0,0,0,0,0|3,0,0]=3 87 B6R1.2 ClC1=CCCC1 MCULE-7680993065 [0,0,0,0,0,0|3,0,1]=4 88 B6R1.2 ClC1=CN=CS1 MCULE-6088272612 [0,0,0,0,0,0|3,1,0]=4 89 B6R1.2 ClC1=CN=NS1 MCULE-9306655732 [0,0,0,0,0,0|3,1,0]=4 90 B6R1.2 ClC1=CNC=N1 MCULE-3072422179 [0,0,0,0,0,0|4,0,0]=4 91 B6R1.2 ClC1=CNC=N1 MCULE-8453567278 [0,0,0,0,0,0|4,0,0]=4 92 B6R1.2 ClC1=CNN=C1 MCULE-2092045123 [0,0,0,0,0,0|4,0,0]=4 93 B6R1.2 ClC1=CSC=C1 MCULE-1998275400 [0,0,0,0,0,0|2,1,0]=3 94 B6R1.2 ClC1=CSC=N1 MCULE-9647338017 [0,0,0,0,0,0|3,1,0]=4 95 B6R1.2 ClC1=CSN=C1 MCULE-6113180722 [0,0,0,0,0,0|3,1,0]=4 96 B6R1.2 ClC1=NC=CN1 MCULE-6072122645 [0,0,0,0,0,0|4,0,0]=4 97 B6R1.2 ClC1=NC=CO1 MCULE-1860416745 [0,0,0,0,0,0|3,0,0]=3 98 B6R1.2 ClC1=NC=CO1 MCULE-4765528658 [0,0,0,0,0,0|3,0,0]=3 99 B6R1.2 ClC1=NC=CS1 MCULE-6673458969 [0,0,0,0,0,0|3,1,0]=4 100 B6R1.2 ClC1=NC=NN1 MCULE-2300203419 [0,0,0,0,0,0|4,0,0]=4 101 B6R1.2 ClC1=NC=NS1 MCULE-5735905433 [0,0,0,0,0,0|3,1,0]=4 102 B6R1.2 ClC1=NN=CS1 MCULE-4112899413 [0,0,0,0,0,0|4,0,0]=4 103 B6R1.2 ClC1=NNC=C1 MCULE-6678816051 [0,0,0,0,0,0|3,0,0]=3 104 B6R1.2 ClC1=NNC=N1 MCULE-6627676536 [0,0,0,0,0,0|4,0,0]=4 105 B6R1.2 ClC1=NSC=C1 MCULE-5743382341 [0,0,0,0,0,0|2,1,0]=3 106 B6R1.2 ClC1=NSC=N1 MCULE-9114546823 [0,0,0,0,0,0|3,1,0]=4 107 B6R1.2 ClC1=NSN=C1 MCULE-7976412441 [0,0,0,0,0,0|3,1,0]=4 108 B6R1.2 FC1=CC=CS1 MCULE-5362233873 [0,0,0,0,0,0|2,1,0]=3 109 B6R1.2 FC1=CN=CN1 MCULE-9951835141 [0,0,0,0,0,0|4,0,0]=4 110 B6R1.2 FC1=CNN=C1 MCULE-7981107171 [0,0,0,0,0,0|4,0,0]=4 111 B6R1.2 FC1=CNN=C1 MCULE-9509914186 [0,0,0,0,0,0|4,0,0]=4 112 B6R1.2 FC1=CSC=C1 MCULE-3342972910 [0,0,0,0,0,0|2,1,0]=3 113 B6R1.2 FC1=NC=CN1 MCULE-1860701993 [0,0,0,0,0,0|4,0,0]=4 114 B6R1.2 FC1=NC=CN1 MCULE-5026249596 [0,0,0,0,0,0|4,0,0]=4 115 B6R1.2 FC1=NC=CS1 MCULE-3710058771 [0,0,0,0,0,0|3,1,0]=4 116 B6R1.2 FC1=NC=NN1 MCULE-7446864956 [0,0,0,0,0,0|4,0,0]=4 117 B6R1.2 FC1=NNC=C1 MCULE-3532126949 [0,0,0,0,0,0|3,0,0]=3 118 B6R1.2 IC1=CC=CO1 MCULE-6467830719 [0,0,0,0,0,0|2,0,0]=2 119 B6R1.2 IC1=CC=CS1 MCULE-6025659368 [0,0,0,0,0,0|2,1,0]=3 120 B6R1.2 IC1=CC=NN1 MCULE-9744954898 [0,0,0,0,0,0|3,0,0]=3 121 B6R1.2 IC1=CC=NS1 MCULE-7758361866 [0,0,0,0,0,0|2,1,0]=3 122 B6R1.2 IC1=CCCC1 MCULE-5953451970 [0,0,0,0,0,0|3,0,1]=4 123 B6R1.2 IC1=CN=CS1 MCULE-1577269526 [0,0,0,0,0,0|3,1,0]=4 124 B6R1.2 IC1=CN=NN1 MCULE-7145950428 [0,0,0,0,0,0|4,0,0]=4 125 B6R1.2 IC1=CNC=C1 MCULE-4230351559 [0,0,0,0,0,0|3,0,0]=3 126 B6R1.2 IC1=CNC=N1 MCULE-9964164089 [0,0,0,0,0,0|4,0,0]=4 127 B6R1.2 IC1=CNN=C1 MCULE-4755201793 [0,0,0,0,0,0|4,0,0]=4 128 B6R1.2 IC1=COC=N1 MCULE-1363022741 [0,0,0,0,0,0|3,0,0]=3 129 B6R1.2 IC1=COC=N1 MCULE-8108166687 [0,0,0,0,0,0|3,0,0]=3 130 B6R1.2 IC1=COCC1 MCULE-3076361502 [0,0,0,0,0,0|2,0,2]=4 131 B6R1.2 IC1=CON=C1 MCULE-4450603437 [0,0,0,0,0,0|3,0,0]=3 132 B6R1.2 IC1=CSC=C1 MCULE-1100365117 [0,0,0,0,0,0|2,1,0]=3 133 B6R1.2 IC1=CSN=C1 MCULE-5646861702 [0,0,0,0,0,0|3,1,0]=4 134 B6R1.2 IC1=NC=CN1 MCULE-1690537323 [0,0,0,0,0,0|4,0,0]=4 135 B6R1.2 IC1=NC=CO1 MCULE-2254947090 [0,0,0,0,0,0|3,0,0]=3 136 B6R1.2 IC1=NC=CS1 MCULE-9500451238 [0,0,0,0,0,0|3,1,0]=4 137 B6R1.2 IC1=NN=CS1 MCULE-6837444982 [0,0,0,0,0,0|4,0,0]=4 138 B6R1.2 IC1=NNC=C1 MCULE-9771094813 [0,0,0,0,0,0|3,0,0]=3 139 B6R1.2 IC1=NNC=N1 MCULE-9276844432 [0,0,0,0,0,0|4,0,0]=4 140 B6R1.2 IN1C=CN=C1 MCULE-4410570789 [0,0,0,0,0,0|4,0,0]=4 141 B6R1.2 NC1=CC=CN1 MCULE-5653620818 [0,0,0,0,0,0|3,0,0]=3 142 B6R1.2 NC1=CC=CN1 MCULE-9753432085 [0,0,0,0,0,0|3,0,0]=3 143 B6R1.2 NC1=CC=CO1 MCULE-2421139965 [0,0,0,0,0,0|2,0,0]=2 144 B6R1.2 NC1=CC=CS1 MCULE-1649510352 [0,0,0,0,0,0|2,1,0]=3 145 B6R1.2 NC1=CC=CS1 MCULE-9501271303 [0,0,0,0,0,0|2,1,0]=3 146 B6R1.2 NC1=CC=NO1 MCULE-3638275568 [0,0,0,0,0,0|2,0,0]=2 147 B6R1.2 NC1=CC=NS1 MCULE-2159626770 [0,0,0,0,0,0|2,1,0]=3 148 B6R1.2 NC1=CC=NS1 MCULE-8733584582 [0,0,0,0,0,0|2,1,0]=3 149 B6R1.2 NC1=CCNN1 MCULE-1539779543 [0,0,0,0,0,0|3,0,1]=4 150 B6R1.2 NC1=CCNN1 MCULE-3460056890 [0,0,0,0,0,0|3,0,1]=4 151 B6R1.2 NC1=CCNN1 MCULE-5423983278 [0,0,0,0,0,0|3,0,1]=4 152 B6R1.2 NC1=CN=CN1 MCULE-3029255616 [0,0,0,0,0,0|4,0,0]=4 153 B6R1.2 NC1=CN=CN1 MCULE-8873453977 [0,0,0,0,0,0|4,0,0]=4 154 B6R1.2 NC1=CN=CN1 MCULE-9206811415 [0,0,0,0,0,0|4,0,0]=4 155 B6R1.2 NC1=CN=CO1 MCULE-4492961257 [0,0,0,0,0,0|3,0,0]=3 156 B6R1.2 NC1=CN=CS1 MCULE-1239962681 [0,0,0,0,0,0|3,1,0]=4 157 B6R1.2 NC1=CN=CS1 MCULE-3685342495 [0,0,0,0,0,0|3,1,0]=4 158 B6R1.2 NC1=CN=CS1 MCULE-7122700564 [0,0,0,0,0,0|3,1,0]=4 159 B6R1.2 NC1=CN=NS1 MCULE-6268554333 [0,0,0,0,0,0|3,1,0]=4 160 B6R1.2 NC1=CNC=C1 MCULE-1411730985 [0,0,0,0,0,0|3,0,0]=3 161 B6R1.2 NC1=CNC=C1 MCULE-7701316156 [0,0,0,0,0,0|3,0,0]=3 162 B6R1.2 NC1=CNN=C1 MCULE-4119655375 [0,0,0,0,0,0|4,0,0]=4 163 B6R1.2 NC1=CNN=C1 MCULE-5097217370 [0,0,0,0,0,0|4,0,0]=4 164 B6R1.2 NC1=CNN=C1 MCULE-6287007700 [0,0,0,0,0,0|4,0,0]=4 165 B6R1.2 NC1=CNN=N1 MCULE-7644677669 [0,0,0,0,0,0|4,0,0]=4 166 B6R1.2 NC1=COC=C1 MCULE-1858324031 [0,0,0,0,0,0|2,0,0]=2 167 B6R1.2 NC1=COC=C1 MCULE-3985426542 [0,0,0,0,0,0|2,0,0]=2 168 B6R1.2 NC1=COC=N1 MCULE-2511021171 [0,0,0,0,0,0|3,0,0]=3 169 B6R1.2 NC1=COC=N1 MCULE-3099880728 [0,0,0,0,0,0|3,0,0]=3 170 B6R1.2 NC1=CON=C1 MCULE-2373604754 [0,0,0,0,0,0|3,0,0]=3 171 B6R1.2 NC1=CON=C1 MCULE-7932471087 [0,0,0,0,0,0|3,0,0]=3 172 B6R1.2 NC1=CSC=C1 MCULE-1673174137 [0,0,0,0,0,0|2,1,0]=3 173 B6R1.2 NC1=CSC=C1 MCULE-5461897385 [0,0,0,0,0,0|2,1,0]=3 174 B6R1.2 NC1=CSC=C1 MCULE-6200615331 [0,0,0,0,0,0|2,1,0]=3 175 B6R1.2 NC1=CSC=C1 MCULE-9439581665 [0,0,0,0,0,0|2,1,0]=3 176 B6R1.2 NC1=CSC=N1 MCULE-3316985941 [0,0,0,0,0,0|3,1,0]=4 177 B6R1.2 NC1=CSC=N1 MCULE-4767298680 [0,0,0,0,0,0|3,1,0]=4 178 B6R1.2 NC1=CSN=C1 MCULE-8555779572 [0,0,0,0,0,0|3,1,0]=4 179 B6R1.2 NC1=CSN=C1 MCULE-9110365089 [0,0,0,0,0,0|3,1,0]=4 180 B6R1.2 NC1=CSN=C1 MCULE-9229676240 [0,0,0,0,0,0|3,1,0]=4 181 B6R1.2 NC1=CSN=N1 MCULE-1480804799 [0,0,0,0,0,0|4,0,0]=4 182 B6R1.2 NC1=CSN=N1 MCULE-7870927492 [0,0,0,0,0,0|4,0,0]=4 183 B6R1.2 NC1=NC=CN1 MCULE-4937045321 [0,0,0,0,0,0|4,0,0]=4 184 B6R1.2 NC1=NC=CN1 MCULE-6371804569 [0,0,0,0,0,0|4,0,0]=4 185 B6R1.2 NC1=NC=CN1 MCULE-7485953374 [0,0,0,0,0,0|4,0,0]=4 186 B6R1.2 NC1=NC=CN1 MCULE-9607974759 [0,0,0,0,0,0|4,0,0]=4 187 B6R1.2 NC1=NC=CO1 MCULE-7316590930 [0,0,0,0,0,0|3,0,0]=3 188 B6R1.2 NC1=NC=CS1 MCULE-1506905792 [0,0,0,0,0,0|3,1,0]=4 189 B6R1.2 NC1=NC=CS1 MCULE-8550608343 [0,0,0,0,0,0|3,1,0]=4 190 B6R1.2 NC1=NC=NN1 MCULE-6203622976 [0,0,0,0,0,0|4,0,0]=4 191 B6R1.2 NC1=NC=NS1 MCULE-3141910287 [0,0,0,0,0,0|3,1,0]=4 192 B6R1.2 NC1=NC=NS1 MCULE-3929641571 [0,0,0,0,0,0|3,1,0]=4 193 B6R1.2 NC1=NC=NS1 MCULE-8660230269 [0,0,0,0,0,0|3,1,0]=4 194 B6R1.2 NC1=NCCO1 MCULE-1257431295 [0,0,0,0,0,0|3,0,1]=4 195 B6R1.2 NC1=NCCO1 MCULE-9912511107 [0,0,0,0,0,0|3,0,1]=4 196 B6R1.2 NC1=NN=CO1 MCULE-9653146681 [0,0,0,0,0,0|4,0,0]=4 197 B6R1.2 NC1=NN=CS1 MCULE-5171141908 [0,0,0,0,0,0|4,0,0]=4 198 B6R1.2 NC1=NNC=C1 MCULE-1507683823 [0,0,0,0,0,0|3,0,0]=3 199 B6R1.2 NC1=NNC=C1 MCULE-5117516307 [0,0,0,0,0,0|3,0,0]=3 200 B6R1.2 NC1=NNC=C1 MCULE-7091290697 [0,0,0,0,0,0|3,0,0]=3 201 B6R1.2 NC1=NNN=C1 MCULE-4268197612 [0,0,0,0,0,0|4,0,0]=4 202 B6R1.2 NC1=NOC=C1 MCULE-5363092492 [0,0,0,0,0,0|2,0,0]=2 203 B6R1.2 NC1=NOC=N1 MCULE-1140308393 [0,0,0,0,0,0|3,0,0]=3 204 B6R1.2 NC1=NOCC1 MCULE-4971355735 [0,0,0,0,0,0|2,0,2]=4 205 B6R1.2 NC1=NON=C1 MCULE-1928445544 [0,0,0,0,0,0|3,0,0]=3 206 B6R1.2 NC1=NSC=C1 MCULE-2731864153 [0,0,0,0,0,0|2,1,0]=3 207 B6R1.2 NC1=NSC=C1 MCULE-4778941442 [0,0,0,0,0,0|2,1,0]=3 208 B6R1.2 NC1=NSC=N1 MCULE-1210037167 [0,0,0,0,0,0|3,1,0]=4 209 B6R1.2 NC1=NSN=C1 MCULE-5043071924 [0,0,0,0,0,0|3,1,0]=4 210 B6R1.2 NC1=NSN=C1 MCULE-5186512230 [0,0,0,0,0,0|3,1,0]=4 211 B6R1.2 NC1C=CCC1 MCULE-2537724380 [0,0,0,0,0,0|3,0,1]=4 212 B6R1.2 NC1C=CCC1 MCULE-5017993489 [0,0,0,0,0,0|3,0,1]=4 213 B6R1.2 NC1C=CN=N1 MCULE-8618625416 [0,0,0,0,0,0|3,0,1]=4 214 B6R1.2 NN1C=CC=C1 MCULE-9328309132 [0,0,0,0,0,0|4,0,0]=4 215 B6R1.2 NN1C=CC=N1 MCULE-1897324593 [0,0,0,0,0,0|4,0,0]=4 216 B6R1.2 NN1C=CN=C1 MCULE-6804632943 [0,0,0,0,0,0|4,0,0]=4 217 B6R1.2 NN1C=CN=C1 MCULE-9704502703 [0,0,0,0,0,0|4,0,0]=4 218 B6R1.2 NN1C=CN=N1 MCULE-2003837529 [0,0,0,0,0,0|4,0,0]=4 219 B6R1.2 NN1C=CN=N1 MCULE-2708002414 [0,0,0,0,0,0|4,0,0]=4 220 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [0,0,0,0,0,0|2,0,0]=2 221 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [0,0,0,0,0,0|2,0,0]=2 222 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [0,0,0,0,0,0|1,0,0]=1 223 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [0,0,0,0,0,0|1,1,0]=2 224 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [0,0,0,0,0,0|2,0,0]=2 225 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [0,0,0,0,0,0|1,1,0]=2 226 B6R1.2 O=C1C=CSN1 MCULE-6820517860 [0,0,0,0,0,0|1,1,0]=2 227 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [0,0,0,0,0,0|2,0,1]=3 228 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [0,0,0,0,0,0|2,0,1]=3 229 B6R1.2 O=C1CCCC1 MCULE-9455227735 [0,0,0,0,0,0|2,0,2]=4 230 B6R1.2 O=C1CCCN1 MCULE-3061780794 [0,0,0,0,0,0|2,0,2]=4 231 B6R1.2 O=C1CCCO1 MCULE-6795890265 [0,0,0,0,0,0|1,0,2]=3 232 B6R1.2 O=C1CCCS1 MCULE-5361654550 [0,0,0,0,0,0|1,1,2]=4 233 B6R1.2 O=C1CCNC1 MCULE-2947789259 [0,0,0,0,0,0|2,0,2]=4 234 B6R1.2 O=C1CCNC1 MCULE-7192595052 [0,0,0,0,0,0|2,0,2]=4 235 B6R1.2 O=C1CCNN1 MCULE-7030953666 [0,0,0,0,0,0|2,0,2]=4 236 B6R1.2 O=C1CCOC1 MCULE-2031733910 [0,0,0,0,0,0|1,0,2]=3 237 B6R1.2 O=C1CCON1 MCULE-6799359324 [0,0,0,0,0,0|1,0,2]=3 238 B6R1.2 O=C1CCSC1 MCULE-2059655624 [0,0,0,0,0,0|1,1,2]=4 239 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [0,0,0,0,0,0|2,0,2]=4 240 B6R1.2 O=C1CNCN1 MCULE-2645891847 [0,0,0,0,0,0|3,0,1]=4 241 B6R1.2 O=C1CNCN1 MCULE-9269137129 [0,0,0,0,0,0|3,0,1]=4 242 B6R1.2 O=C1CSCN1 MCULE-3946660854 [0,0,0,0,0,0|2,1,1]=4 243 B6R1.2 O=C1N=CN=N1 MCULE-3721166402 [0,0,0,0,0,0|3,0,0]=3 244 B6R1.2 O=C1NC=CN1 MCULE-6249170076 [0,0,0,0,0,0|3,0,0]=3 245 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [0,0,0,0,0,0|2,0,0]=2 246 B6R1.2 O=C1NC=CS1 MCULE-2039347995 [0,0,0,0,0,0|2,1,0]=3 247 B6R1.2 O=C1NC=NN1 MCULE-8685001700 [0,0,0,0,0,0|3,0,0]=3 248 B6R1.2 O=C1NCCN1 MCULE-9806791551 [0,0,0,0,0,0|3,0,1]=4 249 B6R1.2 O=C1NCCO1 MCULE-3934923008 [0,0,0,0,0,0|2,0,1]=3 250 B6R1.2 O=C1NCCS1 MCULE-6732478086 [0,0,0,0,0,0|2,1,1]=4 251 B6R1.2 O=C1NN=NN1 MCULE-2843823671 [0,0,0,0,0,0|4,0,0]=4 252 B6R1.2 O=C1OC=CO1 MCULE-1924277704 [0,0,0,0,0,0|2,0,0]=2 253 B6R1.2 O=C1OCCO1 MCULE-9493253045 [0,0,0,0,0,0|2,0,1]=3 254 B6R1.2 O=S1OCCO1 MCULE-5773173321 [0,0,0,0,0,0|3,0,1]=4 255 B6R1.2 OC1=CC=CO1 MCULE-7591676996 [0,0,0,0,0,0|1,0,1]=2 256 B6R1.2 OC1=CC=CS1 MCULE-8044830478 [0,0,0,0,0,0|1,1,1]=3 257 B6R1.2 OC1=CC=NN1 MCULE-9109008036 [0,0,0,0,0,0|2,0,1]=3 258 B6R1.2 OC1=CN=CS1 MCULE-4004908551 [0,0,0,0,0,0|2,1,1]=4 259 B6R1.2 OC1=CNC=C1 MCULE-3938204755 [0,0,0,0,0,0|2,0,1]=3 260 B6R1.2 OC1=CNC=N1 MCULE-1911765165 [0,0,0,0,0,0|3,0,1]=4 261 B6R1.2 OC1=CNN=C1 MCULE-5672706063 [0,0,0,0,0,0|3,0,1]=4 262 B6R1.2 OC1=CNN=C1 MCULE-5774317326 [0,0,0,0,0,0|3,0,1]=4 263 B6R1.2 OC1=CON=C1 MCULE-9622003135 [0,0,0,0,0,0|2,0,1]=3 264 B6R1.2 OC1=CSC=C1 MCULE-2226095386 [0,0,0,0,0,0|1,1,1]=3 265 B6R1.2 OC1=NN=CO1 MCULE-5444445027 [0,0,0,0,0,0|3,0,1]=4 266 B6R1.2 OC1=NN=CS1 MCULE-9934931556 [0,0,0,0,0,0|3,0,1]=4 267 B6R1.2 OC1=NOC=C1 MCULE-6441945551 [0,0,0,0,0,0|1,0,1]=2 268 B6R1.2 OC1=NSN=C1 MCULE-1499049623 [0,0,0,0,0,0|2,1,1]=4 269 B6R1.2 OC1C=CCC1 MCULE-3857764876 [0,0,0,0,0,0|2,0,2]=4 270 B6R1.2 OC1C=CCO1 MCULE-4636930669 [0,0,0,0,0,0|1,0,2]=3 271 B6R1.2 ON1C=CC=N1 MCULE-8533909959 [0,0,0,0,0,0|3,0,1]=4 272 B6R1.2 P1(=O)OCCO1 MCULE-3753821837 [0,0,0,0,0,0|3,0,1]=4 273 B6R1.2 S=C1C=N[N-]S1 MCULE-2531779377 [0,0,0,0,0,0|2,2,0]=4 274 B6R1.2 S=C1C=N[N-]S1 MCULE-6631890633 [0,0,0,0,0,0|2,2,0]=4 275 B6R1.2 S=C1NC=CO1 MCULE-6706918798 [0,0,0,0,0,0|2,1,0]=3 276 B6R1.2 S=C1SC=CS1 MCULE-7239273248 [0,0,0,0,0,0|2,2,0]=4 277 B6R1.2 SC1=CC=CS1 MCULE-8882266878 [0,0,0,0,0,0|1,2,0]=3 278 B6R1.2 SC1=CN=NN1 MCULE-3655107232 [0,0,0,0,0,0|3,1,0]=4 279 B6R1.2 SC1=CN=NS1 MCULE-1429230459 [0,0,0,0,0,0|2,2,0]=4 280 B6R1.2 SC1=CNN=C1 MCULE-7844673145 [0,0,0,0,0,0|3,1,0]=4 281 B6R1.2 SC1=CSC=C1 MCULE-8930005512 [0,0,0,0,0,0|1,2,0]=3 282 B6R1.2 SC1=NC=CN1 MCULE-1550904171 [0,0,0,0,0,0|3,1,0]=4 283 B6R1.2 SC1=NC=CS1 MCULE-4142949987 [0,0,0,0,0,0|2,2,0]=4 284 B6R1.2 SC1=NCCO1 MCULE-6684545723 [0,0,0,0,0,0|2,1,1]=4 285 B6R1.2 SC1=NN=CN1 MCULE-5875245990 [0,0,0,0,0,0|3,1,0]=4 286 B6R1.2 SC1=NN=CO1 MCULE-5180923337 [0,0,0,0,0,0|3,1,0]=4 287 B6R1.2 SC1=NN=CS1 MCULE-7722306009 [0,0,0,0,0,0|3,1,0]=4 288 B6R1.2 [Li]C1C=CC=C1 MCULE-1100709751 [0,0,0,0,0,0|3,0,1]=4 289 B6R1.2 [Na]C1=NNC=N1 MCULE-3608100113 [0,0,0,0,0,0|4,0,0]=4 290 B6R1.2 [S-]C1=CN=NN1 MCULE-9079805829 [0,0,0,0,0,0|3,1,0]=4 291 B6R1.2 [S-]C1=CN=NS1 MCULE-2157640340 [0,0,0,0,0,0|2,2,0]=4 292 B6R1.2 [TlH2]C1=CC=CC1 MCULE-7402896981 [0,0,0,0,0,0|3,0,0]=3 293 B5R1.1 B1CCOO1 MCULE-4859234466 [1,0,0,0,0,0|1,0,2]=4 294 B5R1.1 C1=CCC=C1 MCULE-1776679581 [1,0,0,0,0,0|2,0,0]=3 295 B5R1.1 C1=CCCC1 MCULE-8785635218 [1,0,0,0,0,0|2,0,1]=4 296 B5R1.1 C1=CCNC1 MCULE-4645888757 [1,0,0,0,0,0|2,0,1]=4 297 B5R1.1 C1=CCNC1 MCULE-7386427096 [1,0,0,0,0,0|2,0,1]=4 298 B5R1.1 C1=CCOC1 MCULE-1252378718 [1,0,0,0,0,0|1,0,1]=3 299 B5R1.1 C1=CCSC1 MCULE-7848219599 [1,0,0,0,0,0|1,1,1]=4 300 B5R1.1 C1=CNC=C1 MCULE-7417495535 [1,0,0,0,0,0|2,0,0]=3 301 B5R1.1 C1=CNC=N1 MCULE-1256901064 [1,0,0,0,0,0|3,0,0]=4 302 B5R1.1 C1=CNC=N1 MCULE-1410806694 [1,0,0,0,0,0|3,0,0]=4 303 B5R1.1 C1=CNC=N1 MCULE-5649243123 [1,0,0,0,0,0|3,0,0]=4 304 B5R1.1 C1=CNC=N1 MCULE-6335507586 [1,0,0,0,0,0|3,0,0]=4 305 B5R1.1 C1=CNN=C1 MCULE-9342475145 [1,0,0,0,0,0|2,0,0]=3 306 B5R1.1 C1=CNN=N1 MCULE-9027372824 [1,0,0,0,0,0|3,0,0]=4 307 B5R1.1 C1=COC=C1 MCULE-6076190179 [1,0,0,0,0,0|1,0,0]=2 308 B5R1.1 C1=COC=N1 MCULE-4239266587 [1,0,0,0,0,0|2,0,0]=3 309 B5R1.1 C1=COCC1 MCULE-7714726225 [1,0,0,0,0,0|1,0,1]=3 310 B5R1.1 C1=CON=C1 MCULE-4177650025 [1,0,0,0,0,0|1,0,0]=2 311 B5R1.1 C1=CSC=C1 MCULE-5759025979 [1,0,0,0,0,0|1,1,0]=3 312 B5R1.1 C1=CSC=N1 MCULE-2839580990 [1,0,0,0,0,0|2,1,0]=4 313 B5R1.1 C1=CSN=C1 MCULE-7711497319 [1,0,0,0,0,0|1,1,0]=3 314 B5R1.1 C1=C[N-]C=N1 MCULE-2590868668 [1,0,0,0,0,0|3,0,0]=4 315 B5R1.1 C1=C[N-]C=N1 MCULE-7665637014 [1,0,0,0,0,0|3,0,0]=4 316 B5R1.1 C1=C[Se]C=C1 MCULE-2438977476 [1,0,0,0,0,0|1,1,0]=3 317 B5R1.1 C1=NC=NN1 MCULE-3522189420 [1,0,0,0,0,0|3,0,0]=4 318 B5R1.1 C1=NC=N[N-]1 MCULE-4858966495 [1,0,0,0,0,0|3,0,0]=4 319 B5R1.1 C1=NC=N[N-]1 MCULE-9511234084 [1,0,0,0,0,0|3,0,0]=4 320 B5R1.1 C1=NN=CO1 MCULE-2512252204 [1,0,0,0,0,0|3,0,0]=4 321 B5R1.1 C1=NN=CS1 MCULE-1697345730 [1,0,0,0,0,0|3,0,0]=4 322 B7R1.1 BrCC1=CC=CO1 MCULE-5096860465 [0,1,0,0,0,0|2,0,0]=3 323 B7R1.1 BrCC1=CC=CS1 MCULE-6293280067 [0,1,0,0,0,0|2,1,0]=4 324 B7R1.1 BrCC1=CC=NO1 MCULE-4124334018 [0,1,0,0,0,0|2,0,0]=3 325 B7R1.1 BrCC1=CC=NS1 MCULE-3188918692 [0,1,0,0,0,0|2,1,0]=4 326 B7R1.1 BrCC1=CN=CO1 MCULE-2008795038 [0,1,0,0,0,0|3,0,0]=4 327 B7R1.1 BrCC1=COC=C1 MCULE-3143969430 [0,1,0,0,0,0|2,0,0]=3 328 B7R1.1 BrCC1=COC=N1 MCULE-6352763539 [0,1,0,0,0,0|3,0,0]=4 329 B7R1.1 BrCC1=COC=N1 MCULE-7780748738 [0,1,0,0,0,0|3,0,0]=4 330 B7R1.1 BrCC1=CON=C1 MCULE-6174675524 [0,1,0,0,0,0|3,0,0]=4 331 B7R1.1 BrCC1=CSC=C1 MCULE-1765288837 [0,1,0,0,0,0|2,1,0]=4 332 B7R1.1 BrCC1=NC=CO1 MCULE-7293850901 [0,1,0,0,0,0|3,0,0]=4 333 B7R1.1 BrCC1=NC=CO1 MCULE-9076338518 [0,1,0,0,0,0|3,0,0]=4 334 B7R1.1 BrCC1=NC=NO1 MCULE-3123325033 [0,1,0,0,0,0|3,0,0]=4 335 B7R1.1 BrCC1=NNC=C1 MCULE-6526927748 [0,1,0,0,0,0|3,0,0]=4 336 B7R1.1 BrCC1=NNC=C1 MCULE-9410968974 [0,1,0,0,0,0|3,0,0]=4 337 B7R1.1 BrCC1=NOC=C1 MCULE-2989529472 [0,1,0,0,0,0|2,0,0]=3 338 B7R1.1 BrCC1=NOC=N1 MCULE-2610618966 [0,1,0,0,0,0|3,0,0]=4 339 B7R1.1 BrCC1=NON=C1 MCULE-2509686586 [0,1,0,0,0,0|3,0,0]=4 340 B7R1.1 BrCC1=NSC=C1 MCULE-8503387099 [0,1,0,0,0,0|2,1,0]=4 341 B7R1.1 C#CC1=CC=CN1 MCULE-9413657940 [0,1,0,0,0,0|3,0,0]=4 342 B7R1.1 C#CC1=CC=CO1 MCULE-9828059853 [0,1,0,0,0,0|2,0,0]=3 343 B7R1.1 C#CC1=CC=CS1 MCULE-5617128233 [0,1,0,0,0,0|2,1,0]=4 344 B7R1.1 C#CC1=CNC=C1 MCULE-5099428162 [0,1,0,0,0,0|3,0,0]=4 345 B7R1.1 C#CC1=COC=C1 MCULE-3502201281 [0,1,0,0,0,0|2,0,0]=3 346 B7R1.1 C#CC1=CSC=C1 MCULE-7658927383 [0,1,0,0,0,0|2,1,0]=4 347 B7R1.1 C#CC1=NNC=C1 MCULE-9550332434 [0,1,0,0,0,0|3,0,0]=4 348 B7R1.1 C=CC1=CC=CO1 MCULE-1348308043 [0,1,0,0,0,0|2,0,0]=3 349 B7R1.1 C=CC1=CC=CS1 MCULE-8257886217 [0,1,0,0,0,0|2,1,0]=4 350 B7R1.1 C=CC1=COC=C1 MCULE-5956408409 [0,1,0,0,0,0|2,0,0]=3 351 B7R1.1 C=CC1=CSC=C1 MCULE-7392660446 [0,1,0,0,0,0|2,1,0]=4 352 B7R1.1 C=CC1=NNC=C1 MCULE-6686249168 [0,1,0,0,0,0|3,0,0]=4 353 B7R1.1 CCC1=CC=CN1 MCULE-9168935708 [0,1,0,0,0,0|3,0,0]=4 354 B7R1.1 CCC1=CC=CO1 MCULE-6819919667 [0,1,0,0,0,0|2,0,0]=3 355 B7R1.1 CCC1=CC=CS1 MCULE-1811294638 [0,1,0,0,0,0|2,1,0]=4 356 B7R1.1 CCC1=CC=NO1 MCULE-9851288273 [0,1,0,0,0,0|2,0,0]=3 357 B7R1.1 CCC1=CNC=C1 MCULE-7105940220 [0,1,0,0,0,0|3,0,0]=4 358 B7R1.1 CCC1=CSC=C1 MCULE-7192433774 [0,1,0,0,0,0|2,1,0]=4 359 B7R1.1 CCC1=NNC=C1 MCULE-4688737607 [0,1,0,0,0,0|3,0,0]=4 360 B7R1.1 CNC1=CC=CS1 MCULE-4218853022 [0,1,0,0,0,0|2,1,0]=4 361 B7R1.1 CNC1=CC=NN1 MCULE-8114468592 [0,1,0,0,0,0|3,0,0]=4 362 B7R1.1 CNC1=CON=C1 MCULE-7568456114 [0,1,0,0,0,0|3,0,0]=4 363 B7R1.1 CNC1=CSC=C1 MCULE-1287628025 [0,1,0,0,0,0|2,1,0]=4 364 B7R1.1 CNC1=CSC=C1 MCULE-5325332143 [0,1,0,0,0,0|2,1,0]=4 365 B7R1.1 CNC1=NC=CO1 MCULE-4226358416 [0,1,0,0,0,0|3,0,0]=4 366 B7R1.1 CNC1=NOC=C1 MCULE-1266569249 [0,1,0,0,0,0|2,0,0]=3 367 B7R1.1 CNC1=NOC=C1 MCULE-2599186829 [0,1,0,0,0,0|2,0,0]=3 368 B7R1.1 COC1=CC=CO1 MCULE-4991744131 [0,1,0,0,0,0|1,0,1]=3 369 B7R1.1 COC1=CC=CS1 MCULE-9593910029 [0,1,0,0,0,0|1,1,1]=4 370 B7R1.1 COC1=COC=C1 MCULE-7798852925 [0,1,0,0,0,0|1,0,1]=3 371 B7R1.1 COC1=CSC=C1 MCULE-3476811638 [0,1,0,0,0,0|1,1,1]=4 372 B7R1.1 COC1=NNC=C1 MCULE-5382090787 [0,1,0,0,0,0|2,0,1]=4 373 B7R1.1 COC1=NSC=C1 MCULE-5378872433 [0,1,0,0,0,0|1,1,1]=4 374 B7R1.1 CSC1=CC=CO1 MCULE-6438587509 [0,1,0,0,0,0|1,1,0]=3 375 B7R1.1 CSC1=CC=CS1 MCULE-7026431414 [0,1,0,0,0,0|1,2,0]=4 376 B7R1.1 CSC1=CSC=C1 MCULE-2498616036 [0,1,0,0,0,0|1,2,0]=4 377 B7R1.1 CSC1=NC=CO1 MCULE-4140293694 [0,1,0,0,0,0|2,1,0]=4 378 B7R1.1 ClCC1=CC=CO1 MCULE-2683635266 [0,1,0,0,0,0|2,0,0]=3 379 B7R1.1 ClCC1=CC=CS1 MCULE-8332782682 [0,1,0,0,0,0|2,1,0]=4 380 B7R1.1 ClCC1=CC=NO1 MCULE-5240884287 [0,1,0,0,0,0|2,0,0]=3 381 B7R1.1 ClCC1=CC=NS1 MCULE-1735467564 [0,1,0,0,0,0|2,1,0]=4 382 B7R1.1 ClCC1=CN=CO1 MCULE-3059549694 [0,1,0,0,0,0|3,0,0]=4 383 B7R1.1 ClCC1=CN=CO1 MCULE-5157324132 [0,1,0,0,0,0|3,0,0]=4 384 B7R1.1 ClCC1=COC=N1 MCULE-4610279752 [0,1,0,0,0,0|3,0,0]=4 385 B7R1.1 ClCC1=COC=N1 MCULE-5727172683 [0,1,0,0,0,0|3,0,0]=4 386 B7R1.1 ClCC1=CON=C1 MCULE-7196518100 [0,1,0,0,0,0|3,0,0]=4 387 B7R1.1 ClCC1=CSC=C1 MCULE-7066080407 [0,1,0,0,0,0|2,1,0]=4 388 B7R1.1 ClCC1=NC=CO1 MCULE-8397270188 [0,1,0,0,0,0|3,0,0]=4 389 B7R1.1 ClCC1=NC=NO1 MCULE-8352114139 [0,1,0,0,0,0|3,0,0]=4 390 B7R1.1 ClCC1=NNC=C1 MCULE-1796939171 [0,1,0,0,0,0|3,0,0]=4 391 B7R1.1 ClCC1=NNC=C1 MCULE-4973996041 [0,1,0,0,0,0|3,0,0]=4 392 B7R1.1 ClCC1=NOC=C1 MCULE-2047090303 [0,1,0,0,0,0|2,0,0]=3 393 B7R1.1 ClCC1=NOC=N1 MCULE-4757110919 [0,1,0,0,0,0|3,0,0]=4 394 B7R1.1 ClCC1=NON=C1 MCULE-7498559704 [0,1,0,0,0,0|3,0,0]=4 395 B7R1.1 ClCC1=NSC=C1 MCULE-6780613233 [0,1,0,0,0,0|2,1,0]=4 396 B7R1.1 ICC1=CC=CO1 MCULE-7510696289 [0,1,0,0,0,0|2,0,0]=3 397 B7R1.1 N#CC1=CC=CN1 MCULE-6899253259 [0,1,0,0,0,0|3,0,0]=4 398 B7R1.1 N#CC1=CC=CO1 MCULE-5841072941 [0,1,0,0,0,0|2,0,0]=3 399 B7R1.1 N#CC1=CC=CS1 MCULE-7011229152 [0,1,0,0,0,0|2,1,0]=4 400 B7R1.1 N#CC1=CC=NO1 MCULE-7077626645 [0,1,0,0,0,0|2,0,0]=3 401 B7R1.1 N#CC1=CN=CO1 MCULE-1416925791 [0,1,0,0,0,0|3,0,0]=4 402 B7R1.1 N#CC1=CNC=C1 MCULE-6927599825 [0,1,0,0,0,0|3,0,0]=4 403 B7R1.1 N#CC1=COC=C1 MCULE-2780890997 [0,1,0,0,0,0|2,0,0]=3 404 B7R1.1 N#CC1=COC=N1 MCULE-5881490611 [0,1,0,0,0,0|3,0,0]=4 405 B7R1.1 N#CC1=CON=C1 MCULE-9441797959 [0,1,0,0,0,0|3,0,0]=4 406 B7R1.1 N#CC1=CSC=C1 MCULE-1574699882 [0,1,0,0,0,0|2,1,0]=4 407 B7R1.1 N#CC1=NC=CO1 MCULE-7957874271 [0,1,0,0,0,0|3,0,0]=4 408 B7R1.1 N#CC1=NNC=C1 MCULE-5137512901 [0,1,0,0,0,0|3,0,0]=4 409 B7R1.1 N#CC1=NOC=C1 MCULE-2092442780 [0,1,0,0,0,0|2,0,0]=3 410 B7R1.1 N#CC1=NSC=C1 MCULE-8132950693 [0,1,0,0,0,0|2,1,0]=4 411 B7R1.1 NCC1=CC=CN1 MCULE-3221298054 [0,1,0,0,0,0|3,0,0]=4 412 B7R1.1 NCC1=CC=CN1 MCULE-5686156853 [0,1,0,0,0,0|3,0,0]=4 413 B7R1.1 NCC1=CC=CO1 MCULE-3035218209 [0,1,0,0,0,0|2,0,0]=3 414 B7R1.1 NCC1=CC=CO1 MCULE-8280847881 [0,1,0,0,0,0|2,0,0]=3 415 B7R1.1 NCC1=CC=CS1 MCULE-5730076896 [0,1,0,0,0,0|2,1,0]=4 416 B7R1.1 NCC1=CC=CS1 MCULE-5815289362 [0,1,0,0,0,0|2,1,0]=4 417 B7R1.1 NCC1=CC=NN1 MCULE-2352502395 [0,1,0,0,0,0|3,0,0]=4 418 B7R1.1 NCC1=CC=NN1 MCULE-7934942905 [0,1,0,0,0,0|3,0,0]=4 419 B7R1.1 NCC1=CC=NN1 MCULE-9469121087 [0,1,0,0,0,0|3,0,0]=4 420 B7R1.1 NCC1=CC=NO1 MCULE-4504896342 [0,1,0,0,0,0|2,0,0]=3 421 B7R1.1 NCC1=CC=NO1 MCULE-6113708508 [0,1,0,0,0,0|2,0,0]=3 422 B7R1.1 NCC1=CC=NS1 MCULE-2457899011 [0,1,0,0,0,0|2,1,0]=4 423 B7R1.1 NCC1=CC=NS1 MCULE-8286613579 [0,1,0,0,0,0|2,1,0]=4 424 B7R1.1 NCC1=CC=NS1 MCULE-9144560486 [0,1,0,0,0,0|2,1,0]=4 425 B7R1.1 NCC1=CN=CO1 MCULE-4275074650 [0,1,0,0,0,0|3,0,0]=4 426 B7R1.1 NCC1=CN=CO1 MCULE-7384356342 [0,1,0,0,0,0|3,0,0]=4 427 B7R1.1 NCC1=CN=CO1 MCULE-8227331702 [0,1,0,0,0,0|3,0,0]=4 428 B7R1.1 NCC1=CNC=C1 MCULE-1100801530 [0,1,0,0,0,0|3,0,0]=4 429 B7R1.1 NCC1=CNC=C1 MCULE-8377955542 [0,1,0,0,0,0|3,0,0]=4 430 B7R1.1 NCC1=COC=C1 MCULE-2572059213 [0,1,0,0,0,0|2,0,0]=3 431 B7R1.1 NCC1=COC=C1 MCULE-3826062772 [0,1,0,0,0,0|2,0,0]=3 432 B7R1.1 NCC1=COC=N1 MCULE-1965806400 [0,1,0,0,0,0|3,0,0]=4 433 B7R1.1 NCC1=COC=N1 MCULE-4630236945 [0,1,0,0,0,0|3,0,0]=4 434 B7R1.1 NCC1=CON=C1 MCULE-1890920006 [0,1,0,0,0,0|3,0,0]=4 435 B7R1.1 NCC1=CON=C1 MCULE-6269871043 [0,1,0,0,0,0|3,0,0]=4 436 B7R1.1 NCC1=CON=C1 MCULE-7811104549 [0,1,0,0,0,0|3,0,0]=4 437 B7R1.1 NCC1=CON=C1 MCULE-9825792061 [0,1,0,0,0,0|3,0,0]=4 438 B7R1.1 NCC1=CSC=C1 MCULE-1358443205 [0,1,0,0,0,0|2,1,0]=4 439 B7R1.1 NCC1=CSC=C1 MCULE-7400311305 [0,1,0,0,0,0|2,1,0]=4 440 B7R1.1 NCC1=NC=CO1 MCULE-4637859153 [0,1,0,0,0,0|3,0,0]=4 441 B7R1.1 NCC1=NC=CO1 MCULE-7271712199 [0,1,0,0,0,0|3,0,0]=4 442 B7R1.1 NCC1=NOC=C1 MCULE-4678014837 [0,1,0,0,0,0|2,0,0]=3 443 B7R1.1 NCC1=NOC=C1 MCULE-6900654675 [0,1,0,0,0,0|2,0,0]=3 444 B7R1.1 NCC1=NOC=N1 MCULE-5404840212 [0,1,0,0,0,0|3,0,0]=4 445 B7R1.1 NCC1=NOC=N1 MCULE-8401790363 [0,1,0,0,0,0|3,0,0]=4 446 B7R1.1 NCC1=NON=C1 MCULE-6058584869 [0,1,0,0,0,0|3,0,0]=4 447 B7R1.1 NCC1=NON=C1 MCULE-9910873355 [0,1,0,0,0,0|3,0,0]=4 448 B7R1.1 NCC1=NSC=C1 MCULE-1665275335 [0,1,0,0,0,0|2,1,0]=4 449 B7R1.1 NCC1=NSC=C1 MCULE-4779946656 [0,1,0,0,0,0|2,1,0]=4 450 B7R1.1 NNC1=CC=CS1 MCULE-3379720556 [0,1,0,0,0,0|2,1,0]=4 451 B7R1.1 NNC1=CC=CS1 MCULE-7128663353 [0,1,0,0,0,0|2,1,0]=4 452 B7R1.1 NOC1=CC=CO1 MCULE-1613438607 [0,1,0,0,0,0|1,0,1]=3 453 B7R1.1 NOC1=CC=CO1 MCULE-4830480468 [0,1,0,0,0,0|1,0,1]=3 454 B7R1.1 NOC1=CC=CS1 MCULE-4858455315 [0,1,0,0,0,0|1,1,1]=4 455 B7R1.1 NOC1=CC=CS1 MCULE-9161289584 [0,1,0,0,0,0|1,1,1]=4 456 B7R1.1 O=CC1=CC=CN1 MCULE-4586543663 [0,1,0,0,0,0|2,0,0]=3 457 B7R1.1 O=CC1=CC=CO1 MCULE-5757882837 [0,1,0,0,0,0|1,0,0]=2 458 B7R1.1 O=CC1=CC=CS1 MCULE-8254409353 [0,1,0,0,0,0|1,1,0]=3 459 B7R1.1 O=CC1=CC=C[Se]1 MCULE-2409744709 [0,1,0,0,0,0|1,1,0]=3 460 B7R1.1 O=CC1=CC=NO1 MCULE-9603824695 [0,1,0,0,0,0|1,0,0]=2 461 B7R1.1 O=CC1=CC=NS1 MCULE-1236687243 [0,1,0,0,0,0|1,1,0]=3 462 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [0,1,0,0,0,0|2,0,1]=4 463 B7R1.1 O=CC1=CCCO1 MCULE-3464963164 [0,1,0,0,0,0|1,0,1]=3 464 B7R1.1 O=CC1=CCSC1 MCULE-9591036145 [0,1,0,0,0,0|1,1,1]=4 465 B7R1.1 O=CC1=CN=CN1 MCULE-5099904928 [0,1,0,0,0,0|3,0,0]=4 466 B7R1.1 O=CC1=CN=CO1 MCULE-7235306258 [0,1,0,0,0,0|2,0,0]=3 467 B7R1.1 O=CC1=CN=CS1 MCULE-4047651092 [0,1,0,0,0,0|2,1,0]=4 468 B7R1.1 O=CC1=CN=NS1 MCULE-7055219202 [0,1,0,0,0,0|2,1,0]=4 469 B7R1.1 O=CC1=CNC=C1 MCULE-2454944558 [0,1,0,0,0,0|2,0,0]=3 470 B7R1.1 O=CC1=CNN=C1 MCULE-4279791999 [0,1,0,0,0,0|3,0,0]=4 471 B7R1.1 O=CC1=CNN=C1 MCULE-4337494909 [0,1,0,0,0,0|3,0,0]=4 472 B7R1.1 O=CC1=CNN=N1 MCULE-8212298542 [0,1,0,0,0,0|3,0,0]=4 473 B7R1.1 O=CC1=COC=C1 MCULE-4433731812 [0,1,0,0,0,0|1,0,0]=2 474 B7R1.1 O=CC1=COC=N1 MCULE-9948589511 [0,1,0,0,0,0|2,0,0]=3 475 B7R1.1 O=CC1=CON=C1 MCULE-5019842093 [0,1,0,0,0,0|2,0,0]=3 476 B7R1.1 O=CC1=CSC=C1 MCULE-4096224591 [0,1,0,0,0,0|1,1,0]=3 477 B7R1.1 O=CC1=CSC=N1 MCULE-9225156161 [0,1,0,0,0,0|2,1,0]=4 478 B7R1.1 O=CC1=CSN=C1 MCULE-8193875899 [0,1,0,0,0,0|2,1,0]=4 479 B7R1.1 O=CC1=CSN=N1 MCULE-1939480478 [0,1,0,0,0,0|3,0,0]=4 480 B7R1.1 O=CC1=NC=CN1 MCULE-7353417190 [0,1,0,0,0,0|3,0,0]=4 481 B7R1.1 O=CC1=NC=CO1 MCULE-6908871529 [0,1,0,0,0,0|2,0,0]=3 482 B7R1.1 O=CC1=NC=CS1 MCULE-4910648704 [0,1,0,0,0,0|2,1,0]=4 483 B7R1.1 O=CC1=NC=CS1 MCULE-9818043026 [0,1,0,0,0,0|2,1,0]=4 484 B7R1.1 O=CC1=NC=NN1 MCULE-7343959266 [0,1,0,0,0,0|3,0,0]=4 485 B7R1.1 O=CC1=NN=CO1 MCULE-2019186249 [0,1,0,0,0,0|3,0,0]=4 486 B7R1.1 O=CC1=NNC=C1 MCULE-5970837649 [0,1,0,0,0,0|2,0,0]=3 487 B7R1.1 O=CC1=NOC=C1 MCULE-6315054980 [0,1,0,0,0,0|1,0,0]=2 488 B7R1.1 O=CC1=NON=C1 MCULE-5467767925 [0,1,0,0,0,0|2,0,0]=3 489 B7R1.1 O=CC1=NSC=C1 MCULE-2006644927 [0,1,0,0,0,0|1,1,0]=3 490 B7R1.1 O=CC1=NSN=C1 MCULE-4602428363 [0,1,0,0,0,0|2,1,0]=4 491 B7R1.1 O=CN1C=CN=C1 MCULE-5644582461 [0,1,0,0,0,0|3,0,0]=4 492 B7R1.1 O=S=C1NC=CO1 MCULE-4980537256 [0,1,0,0,0,0|2,0,0]=3 493 B7R1.1 OCC1=CC=CN1 MCULE-5325446270 [0,1,0,0,0,0|2,0,1]=4 494 B7R1.1 OCC1=CC=CO1 MCULE-4977977402 [0,1,0,0,0,0|1,0,1]=3 495 B7R1.1 OCC1=CC=CS1 MCULE-8365761000 [0,1,0,0,0,0|1,1,1]=4 496 B7R1.1 OCC1=CC=NN1 MCULE-9206734976 [0,1,0,0,0,0|2,0,1]=4 497 B7R1.1 OCC1=CC=NO1 MCULE-9887136642 [0,1,0,0,0,0|1,0,1]=3 498 B7R1.1 OCC1=CC=NS1 MCULE-5309327051 [0,1,0,0,0,0|1,1,1]=4 499 B7R1.1 OCC1=CN=CO1 MCULE-5114487613 [0,1,0,0,0,0|2,0,1]=4 500 B7R1.1 OCC1=CNC=C1 MCULE-3286092527 [0,1,0,0,0,0|2,0,1]=4 501 B7R1.1 OCC1=COC=C1 MCULE-1188853308 [0,1,0,0,0,0|1,0,1]=3 502 B7R1.1 OCC1=COC=N1 MCULE-6953437959 [0,1,0,0,0,0|2,0,1]=4 503 B7R1.1 OCC1=CON=C1 MCULE-5122190603 [0,1,0,0,0,0|2,0,1]=4 504 B7R1.1 OCC1=CSC=C1 MCULE-5715575511 [0,1,0,0,0,0|1,1,1]=4 505 B7R1.1 OCC1=NC=CO1 MCULE-9104936820 [0,1,0,0,0,0|2,0,1]=4 506 B7R1.1 OCC1=NC=NO1 MCULE-9715456804 [0,1,0,0,0,0|2,0,1]=4 507 B7R1.1 OCC1=NNC=C1 MCULE-7625791296 [0,1,0,0,0,0|2,0,1]=4 508 B7R1.1 OCC1=NOC=C1 MCULE-3216265153 [0,1,0,0,0,0|1,0,1]=3 509 B7R1.1 OCC1=NOC=N1 MCULE-8130425281 [0,1,0,0,0,0|2,0,1]=4 510 B7R1.1 OCC1=NON=C1 MCULE-7693226761 [0,1,0,0,0,0|2,0,1]=4 511 B7R1.1 OCC1=NSC=C1 MCULE-8963767199 [0,1,0,0,0,0|1,1,1]=4 512 B7R1.1 SCC1=CC=CO1 MCULE-3419389361 [0,1,0,0,0,0|1,1,0]=3 513 B7R1.1 SCC1=CC=CS1 MCULE-8555593113 [0,1,0,0,0,0|1,2,0]=4 514 B7R1.2 BrC1=CC(=NN1)Br MCULE-1907873487 [0,1,0,0,0,0|3,0,0]=4 515 B7R1.2 BrC1=CC=C(O1)Br MCULE-3006502201 [0,1,0,0,0,0|2,0,0]=3 516 B7R1.2 BrC1=CC=C(S1)Br MCULE-6862608005 [0,1,0,0,0,0|2,1,0]=4 517 B7R1.2 BrC1=CC=C(S1)I MCULE-4509876949 [0,1,0,0,0,0|2,1,0]=4 518 B7R1.2 BrC1=CC=C([Se]1)Br MCULE-8611369975 [0,1,0,0,0,0|2,1,0]=4 519 B7R1.2 BrC1=COC(=C1)Br MCULE-2229692941 [0,1,0,0,0,0|2,0,0]=3 520 B7R1.2 BrC1=COC(=N1)Br MCULE-6704583546 [0,1,0,0,0,0|3,0,0]=4 521 B7R1.2 BrC1=CSC(=C1)Br MCULE-3719103465 [0,1,0,0,0,0|2,1,0]=4 522 B7R1.2 BrC1=CSC(=C1)I MCULE-3658414856 [0,1,0,0,0,0|2,1,0]=4 523 B7R1.2 BrC1=NC=C(O1)I MCULE-3868467296 [0,1,0,0,0,0|3,0,0]=4 524 B7R1.2 BrC1=NNC(=C1)I MCULE-7766040305 [0,1,0,0,0,0|3,0,0]=4 525 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,1,0,0,0,0|2,0,1]=4 526 B7R1.2 C=C1C=CC(=O)O1 MCULE-1046353319 [0,1,0,0,0,0|1,0,0]=2 527 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [0,1,0,0,0,0|1,0,2]=4 528 B7R1.2 CC1=CC(=CO1)Br MCULE-1365881695 [0,1,0,0,0,0|2,0,0]=3 529 B7R1.2 CC1=CC(=CS1)Br MCULE-9701843608 [0,1,0,0,0,0|2,1,0]=4 530 B7R1.2 CC1=CC(=CS1)Cl MCULE-1661832667 [0,1,0,0,0,0|2,1,0]=4 531 B7R1.2 CC1=CC(=CS1)N MCULE-4677626148 [0,1,0,0,0,0|2,1,0]=4 532 B7R1.2 CC1=CC(=CS1)N MCULE-4954759044 [0,1,0,0,0,0|2,1,0]=4 533 B7R1.2 CC1=CC(=NN1)Br MCULE-1516612696 [0,1,0,0,0,0|3,0,0]=4 534 B7R1.2 CC1=CC(=NN1)C MCULE-4873265902 [0,1,0,0,0,0|3,0,0]=4 535 B7R1.2 CC1=CC(=NN1)C MCULE-8100496522 [0,1,0,0,0,0|3,0,0]=4 536 B7R1.2 CC1=CC(=NN1)F MCULE-1447632064 [0,1,0,0,0,0|3,0,0]=4 537 B7R1.2 CC1=CC(=NN1)F MCULE-6096639447 [0,1,0,0,0,0|3,0,0]=4 538 B7R1.2 CC1=CC(=NN1)I MCULE-9212614137 [0,1,0,0,0,0|3,0,0]=4 539 B7R1.2 CC1=CC(=NO1)Br MCULE-8203630178 [0,1,0,0,0,0|2,0,0]=3 540 B7R1.2 CC1=CC(=NO1)C MCULE-5128459474 [0,1,0,0,0,0|2,0,0]=3 541 B7R1.2 CC1=CC(=NO1)N MCULE-4538523254 [0,1,0,0,0,0|2,0,0]=3 542 B7R1.2 CC1=CC(=NS1)N MCULE-2006841208 [0,1,0,0,0,0|2,1,0]=4 543 B7R1.2 CC1=CC(=NS1)N MCULE-5644544748 [0,1,0,0,0,0|2,1,0]=4 544 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [0,1,0,0,0,0|2,0,0]=3 545 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [0,1,0,0,0,0|1,0,0]=2 546 B7R1.2 CC1=CC(=O)N=N1 MCULE-8356895370 [0,1,0,0,0,0|2,0,0]=3 547 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [0,1,0,0,0,0|1,0,0]=2 548 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,1,0,0,0,0|1,0,0]=2 549 B7R1.2 CC1=CC=C(N1)C MCULE-2630115640 [0,1,0,0,0,0|3,0,0]=4 550 B7R1.2 CC1=CC=C(N1)Cl MCULE-6650692655 [0,1,0,0,0,0|3,0,0]=4 551 B7R1.2 CC1=CC=C(O1)Br MCULE-2815956180 [0,1,0,0,0,0|2,0,0]=3 552 B7R1.2 CC1=CC=C(O1)C MCULE-2776549830 [0,1,0,0,0,0|2,0,0]=3 553 B7R1.2 CC1=CC=C(O1)N MCULE-5583871788 [0,1,0,0,0,0|2,0,0]=3 554 B7R1.2 CC1=CC=C(S1)Br MCULE-9870970320 [0,1,0,0,0,0|2,1,0]=4 555 B7R1.2 CC1=CC=C(S1)C MCULE-6651491312 [0,1,0,0,0,0|2,1,0]=4 556 B7R1.2 CC1=CC=C(S1)C MCULE-7283016932 [0,1,0,0,0,0|2,1,0]=4 557 B7R1.2 CC1=CC=C(S1)Cl MCULE-9463412923 [0,1,0,0,0,0|2,1,0]=4 558 B7R1.2 CC1=CC=C(S1)I MCULE-3339364572 [0,1,0,0,0,0|2,1,0]=4 559 B7R1.2 CC1=CC=C(S1)N MCULE-1672887913 [0,1,0,0,0,0|2,1,0]=4 560 B7R1.2 CC1=CC=C(S1)N MCULE-4947745341 [0,1,0,0,0,0|2,1,0]=4 561 B7R1.2 CC1=CC=C(S1)O MCULE-7587913788 [0,1,0,0,0,0|1,1,1]=4 562 B7R1.2 CC1=CC=C(S1)S MCULE-9072205252 [0,1,0,0,0,0|1,2,0]=4 563 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [0,1,0,0,0,0|1,0,1]=3 564 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [0,1,0,0,0,0|1,0,1]=3 565 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [0,1,0,0,0,0|1,1,1]=4 566 B7R1.2 CC1=CN=C(O1)Br MCULE-3952379614 [0,1,0,0,0,0|3,0,0]=4 567 B7R1.2 CC1=CN=C(O1)C MCULE-8416988900 [0,1,0,0,0,0|3,0,0]=4 568 B7R1.2 CC1=CN=C(O1)Cl MCULE-1762464687 [0,1,0,0,0,0|3,0,0]=4 569 B7R1.2 CC1=CN=C(O1)Cl MCULE-3921580627 [0,1,0,0,0,0|3,0,0]=4 570 B7R1.2 CC1=CN=C(O1)I MCULE-4568617242 [0,1,0,0,0,0|3,0,0]=4 571 B7R1.2 CC1=CN=C(O1)N MCULE-5846833894 [0,1,0,0,0,0|3,0,0]=4 572 B7R1.2 CC1=CNC(=C1)C MCULE-6480137920 [0,1,0,0,0,0|3,0,0]=4 573 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [0,1,0,0,0,0|3,0,0]=4 574 B7R1.2 CC1=COC(=C1)C MCULE-9104872009 [0,1,0,0,0,0|2,0,0]=3 575 B7R1.2 CC1=COC(=N)N1 MCULE-2875662146 [0,1,0,0,0,0|3,0,0]=4 576 B7R1.2 CC1=COC(=N1)Br MCULE-3628895128 [0,1,0,0,0,0|3,0,0]=4 577 B7R1.2 CC1=COC(=N1)C MCULE-3626673481 [0,1,0,0,0,0|3,0,0]=4 578 B7R1.2 CC1=COC(=N1)Cl MCULE-8812650506 [0,1,0,0,0,0|3,0,0]=4 579 B7R1.2 CC1=COC(=N1)S MCULE-7659225823 [0,1,0,0,0,0|2,1,0]=4 580 B7R1.2 CC1=CSC(=C1)Br MCULE-1301546959 [0,1,0,0,0,0|2,1,0]=4 581 B7R1.2 CC1=CSC(=C1)C MCULE-9938369670 [0,1,0,0,0,0|2,1,0]=4 582 B7R1.2 CC1=CSC(=C1)Cl MCULE-8287471659 [0,1,0,0,0,0|2,1,0]=4 583 B7R1.2 CC1=CSC(=C1)N MCULE-6517545234 [0,1,0,0,0,0|2,1,0]=4 584 B7R1.2 CC1=CSC(=C1)N MCULE-8640058932 [0,1,0,0,0,0|2,1,0]=4 585 B7R1.2 CC1=CSC(=C1)O MCULE-1324476521 [0,1,0,0,0,0|1,1,1]=4 586 B7R1.2 CC1=CSC(=O)N1 MCULE-6083480700 [0,1,0,0,0,0|2,1,0]=4 587 B7R1.2 CC1=NC(=CO1)Br MCULE-4921013012 [0,1,0,0,0,0|3,0,0]=4 588 B7R1.2 CC1=NC(=NO1)Br MCULE-7579897482 [0,1,0,0,0,0|3,0,0]=4 589 B7R1.2 CC1=NC(=NO1)Cl MCULE-6633327000 [0,1,0,0,0,0|3,0,0]=4 590 B7R1.2 CC1=NC(=NO1)N MCULE-8189524601 [0,1,0,0,0,0|3,0,0]=4 591 B7R1.2 CC1=NC(=O)N=N1 MCULE-2642903272 [0,1,0,0,0,0|3,0,0]=4 592 B7R1.2 CC1=NC(=O)NN1 MCULE-7112378155 [0,1,0,0,0,0|3,0,0]=4 593 B7R1.2 CC1=NC=C(O1)Br MCULE-1770948017 [0,1,0,0,0,0|3,0,0]=4 594 B7R1.2 CC1=NC=C(O1)Br MCULE-4635846619 [0,1,0,0,0,0|3,0,0]=4 595 B7R1.2 CC1=NC=C(O1)N MCULE-9670426348 [0,1,0,0,0,0|3,0,0]=4 596 B7R1.2 CC1=NN(C=C1)C MCULE-4991402354 [0,1,0,0,0,0|3,0,0]=4 597 B7R1.2 CC1=NNC(=C1)Cl MCULE-9047691966 [0,1,0,0,0,0|3,0,0]=4 598 B7R1.2 CC1=NNC(=C1)I MCULE-7626013113 [0,1,0,0,0,0|3,0,0]=4 599 B7R1.2 CC1=NNC(=C1)N MCULE-5982415678 [0,1,0,0,0,0|3,0,0]=4 600 B7R1.2 CC1=NNC(=C1)N MCULE-8265446300 [0,1,0,0,0,0|3,0,0]=4 601 B7R1.2 CC1=NNC(=C1)N MCULE-8755398394 [0,1,0,0,0,0|3,0,0]=4 602 B7R1.2 CC1=NNC(=C1)O MCULE-6802545425 [0,1,0,0,0,0|2,0,1]=4 603 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [0,1,0,0,0,0|2,0,1]=4 604 B7R1.2 CC1=NOC(=C1)Br MCULE-6794061121 [0,1,0,0,0,0|2,0,0]=3 605 B7R1.2 CC1=NOC(=C1)I MCULE-5795495546 [0,1,0,0,0,0|2,0,0]=3 606 B7R1.2 CC1=NOC(=C1)N MCULE-2719601999 [0,1,0,0,0,0|2,0,0]=3 607 B7R1.2 CC1=NOC(=C1)O MCULE-4469914138 [0,1,0,0,0,0|1,0,1]=3 608 B7R1.2 CC1=NOC(=C1)[O-] MCULE-1851467961 [0,1,0,0,0,0|1,0,1]=3 609 B7R1.2 CC1=NOC(=N1)Br MCULE-7788469211 [0,1,0,0,0,0|3,0,0]=4 610 B7R1.2 CC1=NOC(=N1)N MCULE-7788127715 [0,1,0,0,0,0|3,0,0]=4 611 B7R1.2 CC1=NOC(=N1)O MCULE-2537387972 [0,1,0,0,0,0|2,0,1]=4 612 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [0,1,0,0,0,0|1,0,1]=3 613 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [0,1,0,0,0,0|1,0,1]=3 614 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [0,1,0,0,0,0|2,0,0]=3 615 B7R1.2 CC1=NSC(=C1)Br MCULE-5311430268 [0,1,0,0,0,0|2,1,0]=4 616 B7R1.2 CC1=NSC(=C1)Cl MCULE-3765249333 [0,1,0,0,0,0|2,1,0]=4 617 B7R1.2 CC1=NSC(=C1)I MCULE-9076472601 [0,1,0,0,0,0|2,1,0]=4 618 B7R1.2 CC1=NSC(=C1)N MCULE-1333657417 [0,1,0,0,0,0|2,1,0]=4 619 B7R1.2 CC1=NSC(=C1)N MCULE-4917388600 [0,1,0,0,0,0|2,1,0]=4 620 B7R1.2 CC1=NSC(=C1)N MCULE-8270730297 [0,1,0,0,0,0|2,1,0]=4 621 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [0,1,0,0,0,0|1,0,0]=2 622 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,1,0,0,0,0|1,0,2]=4 623 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [0,1,0,0,0,0|1,0,2]=4 624 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,1,0,0,0,0|2,0,1]=4 625 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,1,0,0,0,0|1,0,2]=4 626 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,1,0,0,0,0|2,0,1]=4 627 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,1,0,0,0,0|2,0,1]=4 628 B7R1.2 CN1C=CC(=C1)Br MCULE-2020278293 [0,1,0,0,0,0|3,0,0]=4 629 B7R1.2 CN1C=CC(=C1)N MCULE-2805426691 [0,1,0,0,0,0|3,0,0]=4 630 B7R1.2 CN1C=CC(=C1)N MCULE-3443863095 [0,1,0,0,0,0|3,0,0]=4 631 B7R1.2 CN1C=CC(=C1)O MCULE-2504745844 [0,1,0,0,0,0|2,0,1]=4 632 B7R1.2 CN1C=CC(=N1)Br MCULE-2140706128 [0,1,0,0,0,0|3,0,0]=4 633 B7R1.2 CN1C=CC(=N1)Cl MCULE-7765518388 [0,1,0,0,0,0|3,0,0]=4 634 B7R1.2 CN1C=CC(=N1)F MCULE-7853118859 [0,1,0,0,0,0|3,0,0]=4 635 B7R1.2 CN1C=CC(=N1)I MCULE-4809829389 [0,1,0,0,0,0|3,0,0]=4 636 B7R1.2 CN1C=CC(=N1)N MCULE-3298296740 [0,1,0,0,0,0|3,0,0]=4 637 B7R1.2 CN1C=CC(=N1)N MCULE-8862989081 [0,1,0,0,0,0|3,0,0]=4 638 B7R1.2 CN1C=CC(=N1)O MCULE-5118805950 [0,1,0,0,0,0|2,0,1]=4 639 B7R1.2 CN1C=CC(=N1)S MCULE-9185539300 [0,1,0,0,0,0|2,1,0]=4 640 B7R1.2 CN1C=NC(=O)N1 MCULE-8089843600 [0,1,0,0,0,0|3,0,0]=4 641 B7R1.2 CN1N=CC(=O)N1 MCULE-1498333804 [0,1,0,0,0,0|3,0,0]=4 642 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [0,1,0,0,0,0|1,0,2]=4 643 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,1,0,0,0,0|2,0,1]=4 644 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,1,0,0,0,0|2,0,1]=4 645 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,1,0,0,0,0|1,0,2]=4 646 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,1,0,0,0,0|1,0,2]=4 647 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,1,0,0,0,0|2,0,1]=4 648 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,1,0,0,0,0|2,0,1]=4 649 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,1,0,0,0,0|2,0,1]=4 650 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,1,0,0,0,0|2,0,1]=4 651 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [0,1,0,0,0,0|1,0,2]=4 652 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,1,0,0,0,0|1,0,2]=4 653 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,1,0,0,0,0|2,0,1]=4 654 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,1,0,0,0,0|2,0,1]=4 655 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,1,0,0,0,0|2,0,1]=4 656 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,1,0,0,0,0|2,0,1]=4 657 B7R1.2 C[N+]1=NOC(=C1)[NH-] MCULE-6437900977 [0,1,0,0,0,0|3,0,0]=4 658 B7R1.2 C[N+]1=NOC(=C1)[NH-] MCULE-9127857833 [0,1,0,0,0,0|3,0,0]=4 659 B7R1.2 ClC1=CC(=CS1)Br MCULE-7660145504 [0,1,0,0,0,0|2,1,0]=4 660 B7R1.2 ClC1=CC=C(S1)Br MCULE-3423220666 [0,1,0,0,0,0|2,1,0]=4 661 B7R1.2 ClC1=CC=C(S1)Cl MCULE-2157852642 [0,1,0,0,0,0|2,1,0]=4 662 B7R1.2 ClC1=CC=C(S1)I MCULE-5479465033 [0,1,0,0,0,0|2,1,0]=4 663 B7R1.2 FC1=CC=C(S1)Br MCULE-1487822013 [0,1,0,0,0,0|2,1,0]=4 664 B7R1.2 FC1=CC=C(S1)I MCULE-7197826580 [0,1,0,0,0,0|2,1,0]=4 665 B7R1.2 FC1=CSC(=C1)Br MCULE-7059165004 [0,1,0,0,0,0|2,1,0]=4 666 B7R1.2 IC1=CC=C(S1)I MCULE-1417836830 [0,1,0,0,0,0|2,1,0]=4 667 B7R1.2 IC1=COC(=N1)I MCULE-5488834762 [0,1,0,0,0,0|3,0,0]=4 668 B7R1.2 N=C1CSC(=O)N1 MCULE-9647262906 [0,1,0,0,0,0|2,1,0]=4 669 B7R1.2 N=C1NC(=O)SS1 MCULE-7339465409 [0,1,0,0,0,0|1,2,0]=4 670 B7R1.2 NC1=CC(=CS1)Br MCULE-5266427375 [0,1,0,0,0,0|2,1,0]=4 671 B7R1.2 NC1=CC(=CS1)Br MCULE-7059699215 [0,1,0,0,0,0|2,1,0]=4 672 B7R1.2 NC1=CC(=CS1)Br MCULE-9539188304 [0,1,0,0,0,0|2,1,0]=4 673 B7R1.2 NC1=CC(=CS1)Cl MCULE-1368435157 [0,1,0,0,0,0|2,1,0]=4 674 B7R1.2 NC1=CC(=CS1)Cl MCULE-7305346902 [0,1,0,0,0,0|2,1,0]=4 675 B7R1.2 NC1=CC(=NN1)Br MCULE-2162955835 [0,1,0,0,0,0|3,0,0]=4 676 B7R1.2 NC1=CC(=NN1)Br MCULE-8959030423 [0,1,0,0,0,0|3,0,0]=4 677 B7R1.2 NC1=CC(=NN1)Cl MCULE-8002271559 [0,1,0,0,0,0|3,0,0]=4 678 B7R1.2 NC1=CC(=NN1)I MCULE-3510408493 [0,1,0,0,0,0|3,0,0]=4 679 B7R1.2 NC1=CC(=NN1)I MCULE-4663040995 [0,1,0,0,0,0|3,0,0]=4 680 B7R1.2 NC1=CC(=NN1)N MCULE-3789616992 [0,1,0,0,0,0|3,0,0]=4 681 B7R1.2 NC1=CC(=NN1)N MCULE-9475481176 [0,1,0,0,0,0|3,0,0]=4 682 B7R1.2 NC1=CC(=NO1)O MCULE-4713053247 [0,1,0,0,0,0|1,0,1]=3 683 B7R1.2 NC1=CC(=NO1)[O-] MCULE-7908089596 [0,1,0,0,0,0|1,0,1]=3 684 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [0,1,0,0,0,0|2,0,0]=3 685 B7R1.2 NC1=CC(=O)CS1 MCULE-9118810823 [0,1,0,0,0,0|1,1,0]=3 686 B7R1.2 NC1=CC(=O)NN1 MCULE-6721529473 [0,1,0,0,0,0|2,0,0]=3 687 B7R1.2 NC1=CC(=[S+]S1)N MCULE-5770117415 [0,1,0,0,0,0|1,2,0]=4 688 B7R1.2 NC1=CC(=[S+]S1)N MCULE-7131970456 [0,1,0,0,0,0|1,2,0]=4 689 B7R1.2 NC1=CC=C(S1)Br MCULE-3753190045 [0,1,0,0,0,0|2,1,0]=4 690 B7R1.2 NC1=CC=C(S1)Br MCULE-8405320841 [0,1,0,0,0,0|2,1,0]=4 691 B7R1.2 NC1=CC=C(S1)Cl MCULE-2899601281 [0,1,0,0,0,0|2,1,0]=4 692 B7R1.2 NC1=CC=C(S1)Cl MCULE-4678133758 [0,1,0,0,0,0|2,1,0]=4 693 B7R1.2 NC1=CC=C(S1)S MCULE-8625998911 [0,1,0,0,0,0|1,2,0]=4 694 B7R1.2 NC1=CSC(=C1)Br MCULE-4419421889 [0,1,0,0,0,0|2,1,0]=4 695 B7R1.2 NC1=CSC(=C1)Br MCULE-4824675898 [0,1,0,0,0,0|2,1,0]=4 696 B7R1.2 NC1=CSC(=C1)Br MCULE-9713306865 [0,1,0,0,0,0|2,1,0]=4 697 B7R1.2 NC1=CSC(=C1)Cl MCULE-1264261152 [0,1,0,0,0,0|2,1,0]=4 698 B7R1.2 NC1=CSC(=C1)Cl MCULE-4907003251 [0,1,0,0,0,0|2,1,0]=4 699 B7R1.2 NC1=NC(=O)C=N1 MCULE-2020007120 [0,1,0,0,0,0|3,0,0]=4 700 B7R1.2 NC1=NC(=O)C=N1 MCULE-3303233815 [0,1,0,0,0,0|3,0,0]=4 701 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [0,1,0,0,0,0|2,0,0]=3 702 B7R1.2 NC1=NC(=O)CS1 MCULE-1329225872 [0,1,0,0,0,0|2,1,0]=4 703 B7R1.2 NC1=NC(=O)CS1 MCULE-6008399337 [0,1,0,0,0,0|2,1,0]=4 704 B7R1.2 NC1=NCC(=O)N1 MCULE-7816305365 [0,1,0,0,0,0|3,0,0]=4 705 B7R1.2 NC1=NCC(=O)N1 MCULE-9546104284 [0,1,0,0,0,0|3,0,0]=4 706 B7R1.2 NC1=NCC(=O)S1 MCULE-1885235061 [0,1,0,0,0,0|3,0,0]=4 707 B7R1.2 NC1=NNC(=C1)F MCULE-1801922879 [0,1,0,0,0,0|3,0,0]=4 708 B7R1.2 NC1=NNC(=O)C1 MCULE-1000997494 [0,1,0,0,0,0|2,0,1]=4 709 B7R1.2 NC1=NNC(=O)N1 MCULE-9633941721 [0,1,0,0,0,0|3,0,0]=4 710 B7R1.2 NC1=NOC(=N1)N MCULE-9500709375 [0,1,0,0,0,0|3,0,0]=4 711 B7R1.2 NC1=NOC(=N1)O MCULE-4783377241 [0,1,0,0,0,0|2,0,1]=4 712 B7R1.2 NC1=NSC(=C1)Br MCULE-4756910940 [0,1,0,0,0,0|2,1,0]=4 713 B7R1.2 NC1=NSC(=C1)Br MCULE-9464275440 [0,1,0,0,0,0|2,1,0]=4 714 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,1,0,0,0,0|1,0,2]=4 715 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,1,0,0,0,0|1,0,2]=4 716 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,1,0,0,0,0|1,0,2]=4 717 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,1,0,0,0,0|1,0,2]=4 718 B7R1.2 NC1N=CC(=O)S1 MCULE-9874802810 [0,1,0,0,0,0|2,1,0]=4 719 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,1,0,0,0,0|1,0,2]=4 720 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,1,0,0,0,0|1,0,2]=4 721 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,1,0,0,0,0|1,0,2]=4 722 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,1,0,0,0,0|1,0,2]=4 723 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,1,0,0,0,0|1,0,2]=4 724 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,1,0,0,0,0|1,0,2]=4 725 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,1,0,0,0,0|1,0,2]=4 726 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,1,0,0,0,0|1,0,2]=4 727 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [0,1,0,0,0,0|2,0,0]=3 728 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [0,1,0,0,0,0|2,0,0]=3 729 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [0,1,0,0,0,0|2,0,0]=3 730 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,1,0,0,0,0|2,0,0]=3 731 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [0,1,0,0,0,0|2,0,0]=3 732 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [0,1,0,0,0,0|2,0,0]=3 733 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [0,1,0,0,0,0|1,0,0]=2 734 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [0,1,0,0,0,0|1,0,0]=2 735 B7R1.2 O=C1C=C(SN1)Cl MCULE-6118293142 [0,1,0,0,0,0|1,1,0]=3 736 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [0,1,0,0,0,0|2,0,0]=3 737 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [0,1,0,0,0,0|2,0,0]=3 738 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [0,1,0,0,0,0|1,0,0]=2 739 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [0,1,0,0,0,0|2,0,0]=3 740 B7R1.2 O=C1C=CC(O1)Br MCULE-3933464968 [0,1,0,0,0,0|1,0,0]=2 741 B7R1.2 O=C1C=CC(O1)O MCULE-7170809381 [0,1,0,0,0,0|1,0,0]=2 742 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [0,1,0,0,0,0|2,0,0]=3 743 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [0,1,0,0,0,0|2,0,0]=3 744 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [0,1,0,0,0,0|1,0,1]=3 745 B7R1.2 O=C1CC(=O)NN1 MCULE-4591056937 [0,1,0,0,0,0|2,0,1]=4 746 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,1,0,0,0,0|1,0,2]=4 747 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,1,0,0,0,0|1,0,2]=4 748 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [0,1,0,0,0,0|2,0,1]=4 749 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [0,1,0,0,0,0|3,0,0]=4 750 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [0,1,0,0,0,0|1,0,2]=4 751 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [0,1,0,0,0,0|1,0,2]=4 752 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,1,0,0,0,0|1,0,2]=4 753 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [0,1,0,0,0,0|2,0,1]=4 754 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [0,1,0,0,0,0|3,0,0]=4 755 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [0,1,0,0,0,0|2,0,1]=4 756 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [0,1,0,0,0,0|3,0,0]=4 757 B7R1.2 O=C1CNC(=S)N1 MCULE-3766479597 [0,1,0,0,0,0|3,0,0]=4 758 B7R1.2 O=C1CNC(=S)S1 MCULE-4359186239 [0,1,0,0,0,0|3,0,0]=4 759 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,1,0,0,0,0|1,0,1]=3 760 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [0,1,0,0,0,0|2,0,0]=3 761 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [0,1,0,0,0,0|2,0,0]=3 762 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [0,1,0,0,0,0|2,1,0]=4 763 B7R1.2 O=C1CSC(=S)N1 MCULE-8840169234 [0,1,0,0,0,0|2,1,0]=4 764 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,1,0,0,0,0|1,0,2]=4 765 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,1,0,0,0,0|1,0,2]=4 766 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,1,0,0,0,0|1,0,2]=4 767 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,1,0,0,0,0|1,0,2]=4 768 B7R1.2 O=C1N=C(NN1)S MCULE-4550378114 [0,1,0,0,0,0|3,0,0]=4 769 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [0,1,0,0,0,0|2,1,0]=4 770 B7R1.2 O=C1NC(=S)CS1 MCULE-8601205978 [0,1,0,0,0,0|2,1,0]=4 771 B7R1.2 O=C1NC=C(S1)Cl MCULE-7571560638 [0,1,0,0,0,0|2,1,0]=4 772 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [0,1,0,0,0,0|3,0,0]=4 773 B7R1.2 O=C1NN=C(N1)Br MCULE-1124720587 [0,1,0,0,0,0|3,0,0]=4 774 B7R1.2 O=C1NN=C(N1)Cl MCULE-5593292847 [0,1,0,0,0,0|3,0,0]=4 775 B7R1.2 O=C1NN=C(S1)Cl MCULE-9941660941 [0,1,0,0,0,0|3,0,0]=4 776 B7R1.2 O=C1NNC(=O)N1 MCULE-5611157961 [0,1,0,0,0,0|3,0,0]=4 777 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [0,1,0,0,0,0|2,0,0]=3 778 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,1,0,0,0,0|2,0,1]=4 779 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,1,0,0,0,0|2,0,1]=4 780 B7R1.2 OC1=CC=C(S1)Br MCULE-2888788322 [0,1,0,0,0,0|1,1,1]=4 781 B7R1.2 SC1=CC=C(S1)Cl MCULE-6453386121 [0,1,0,0,0,0|1,2,0]=4 782 B7R1.4 BrC1=C(C=CS1)I MCULE-7141297814 [0,1,0,0,0,0|2,1,0]=4 783 B7R1.4 BrC1=C(OC=C1)Br MCULE-7426166356 [0,1,0,0,0,0|2,0,0]=3 784 B7R1.4 BrC1=C(OC=C1)I MCULE-5137662121 [0,1,0,0,0,0|2,0,0]=3 785 B7R1.4 BrC1=C(SC=C1)Br MCULE-8784672229 [0,1,0,0,0,0|2,1,0]=4 786 B7R1.4 BrC1=C(SC=C1)I MCULE-2413290381 [0,1,0,0,0,0|2,1,0]=4 787 B7R1.4 BrC1=CNN=C1Br MCULE-6327469589 [0,1,0,0,0,0|3,0,0]=4 788 B7R1.4 BrC1=CNN=C1I MCULE-5957805672 [0,1,0,0,0,0|3,0,0]=4 789 B7R1.4 BrC1=COC=C1Br MCULE-4599284885 [0,1,0,0,0,0|2,0,0]=3 790 B7R1.4 BrC1=CSC=C1Br MCULE-3654974927 [0,1,0,0,0,0|2,1,0]=4 791 B7R1.4 BrC1=CSC=C1I MCULE-4217787922 [0,1,0,0,0,0|2,1,0]=4 792 B7R1.4 BrC1=NNC=C1I MCULE-7694787284 [0,1,0,0,0,0|3,0,0]=4 793 B7R1.4 BrC1=NSC=C1I MCULE-8428534649 [0,1,0,0,0,0|2,1,0]=4 794 B7R1.4 C=C1CCNC1=O MCULE-2729105523 [0,1,0,0,0,0|2,0,1]=4 795 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [0,1,0,0,0,0|1,0,1]=3 796 B7R1.4 CC1=C(C=CO1)Br MCULE-5272760073 [0,1,0,0,0,0|2,0,0]=3 797 B7R1.4 CC1=C(C=CO1)N MCULE-8304976100 [0,1,0,0,0,0|2,0,0]=3 798 B7R1.4 CC1=C(C=CO1)S MCULE-3331659980 [0,1,0,0,0,0|1,1,0]=3 799 B7R1.4 CC1=C(C=CO1)S MCULE-8172133853 [0,1,0,0,0,0|1,1,0]=3 800 B7R1.4 CC1=C(C=CS1)Br MCULE-6374195818 [0,1,0,0,0,0|2,1,0]=4 801 B7R1.4 CC1=C(C=CS1)Cl MCULE-9362082266 [0,1,0,0,0,0|2,1,0]=4 802 B7R1.4 CC1=C(C=CS1)N MCULE-4152889855 [0,1,0,0,0,0|2,1,0]=4 803 B7R1.4 CC1=C(C=CS1)N MCULE-4377439924 [0,1,0,0,0,0|2,1,0]=4 804 B7R1.4 CC1=C(C=NO1)Br MCULE-3480380556 [0,1,0,0,0,0|2,0,0]=3 805 B7R1.4 CC1=C(C=NO1)I MCULE-1012314205 [0,1,0,0,0,0|2,0,0]=3 806 B7R1.4 CC1=C(C=NO1)N MCULE-4982899453 [0,1,0,0,0,0|2,0,0]=3 807 B7R1.4 CC1=C(C=NO1)N MCULE-8792251798 [0,1,0,0,0,0|2,0,0]=3 808 B7R1.4 CC1=C(N=CO1)Br MCULE-5720800030 [0,1,0,0,0,0|3,0,0]=4 809 B7R1.4 CC1=C(N=CO1)Br MCULE-6592849789 [0,1,0,0,0,0|3,0,0]=4 810 B7R1.4 CC1=C(NC=C1)C MCULE-3747569551 [0,1,0,0,0,0|3,0,0]=4 811 B7R1.4 CC1=C(NN=C1)I MCULE-3870859467 [0,1,0,0,0,0|3,0,0]=4 812 B7R1.4 CC1=C(NN=C1)N MCULE-6982113158 [0,1,0,0,0,0|3,0,0]=4 813 B7R1.4 CC1=C(OC=C1)Br MCULE-4484142471 [0,1,0,0,0,0|2,0,0]=3 814 B7R1.4 CC1=C(OC=C1)C MCULE-1944160075 [0,1,0,0,0,0|2,0,0]=3 815 B7R1.4 CC1=C(OC=N1)Br MCULE-1847779575 [0,1,0,0,0,0|3,0,0]=4 816 B7R1.4 CC1=C(OC=N1)Br MCULE-6842310823 [0,1,0,0,0,0|3,0,0]=4 817 B7R1.4 CC1=C(OC=N1)C MCULE-6212214015 [0,1,0,0,0,0|3,0,0]=4 818 B7R1.4 CC1=C(OC=N1)N MCULE-5764234577 [0,1,0,0,0,0|3,0,0]=4 819 B7R1.4 CC1=C(ON=C1)C MCULE-2037233742 [0,1,0,0,0,0|2,0,0]=3 820 B7R1.4 CC1=C(ON=C1)N MCULE-1189999644 [0,1,0,0,0,0|2,0,0]=3 821 B7R1.4 CC1=C(SC=C1)Br MCULE-3746729659 [0,1,0,0,0,0|2,1,0]=4 822 B7R1.4 CC1=C(SC=C1)C MCULE-6742776055 [0,1,0,0,0,0|2,1,0]=4 823 B7R1.4 CC1=C(SC=C1)Cl MCULE-4683627316 [0,1,0,0,0,0|2,1,0]=4 824 B7R1.4 CC1=C(SC=C1)I MCULE-4074297086 [0,1,0,0,0,0|2,1,0]=4 825 B7R1.4 CC1=C(SC=C1)S MCULE-6807943440 [0,1,0,0,0,0|1,2,0]=4 826 B7R1.4 CC1=C(SN=C1)Br MCULE-7236338600 [0,1,0,0,0,0|2,1,0]=4 827 B7R1.4 CC1=CC=CN1C MCULE-7997774693 [0,1,0,0,0,0|3,0,0]=4 828 B7R1.4 CC1=CC=NN1C MCULE-9285969175 [0,1,0,0,0,0|3,0,0]=4 829 B7R1.4 CC1=CCCC1=O MCULE-3713655264 [0,1,0,0,0,0|2,0,0]=3 830 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [0,1,0,0,0,0|1,0,0]=2 831 B7R1.4 CC1=CNC=C1C MCULE-4758724479 [0,1,0,0,0,0|3,0,0]=4 832 B7R1.4 CC1=CNN=C1Br MCULE-6589056167 [0,1,0,0,0,0|3,0,0]=4 833 B7R1.4 CC1=CNN=C1C MCULE-2020565239 [0,1,0,0,0,0|3,0,0]=4 834 B7R1.4 CC1=CNN=C1C MCULE-5379672633 [0,1,0,0,0,0|3,0,0]=4 835 B7R1.4 CC1=CNN=C1C MCULE-8376501296 [0,1,0,0,0,0|3,0,0]=4 836 B7R1.4 CC1=CNN=C1Cl MCULE-3631106854 [0,1,0,0,0,0|3,0,0]=4 837 B7R1.4 CC1=CNN=C1N MCULE-4529381336 [0,1,0,0,0,0|3,0,0]=4 838 B7R1.4 CC1=CNNC1=O MCULE-9098077492 [0,1,0,0,0,0|2,0,0]=3 839 B7R1.4 CC1=COC=C1Br MCULE-5316317633 [0,1,0,0,0,0|2,0,0]=3 840 B7R1.4 CC1=CON=C1Br MCULE-8042592335 [0,1,0,0,0,0|2,0,0]=3 841 B7R1.4 CC1=CON=C1N MCULE-6766602702 [0,1,0,0,0,0|2,0,0]=3 842 B7R1.4 CC1=CSC=C1Br MCULE-5733157832 [0,1,0,0,0,0|2,1,0]=4 843 B7R1.4 CC1=CSC=C1C MCULE-2505833521 [0,1,0,0,0,0|2,1,0]=4 844 B7R1.4 CC1=CSC=C1N MCULE-2229858743 [0,1,0,0,0,0|2,1,0]=4 845 B7R1.4 CC1=CSC=C1N MCULE-9678851280 [0,1,0,0,0,0|2,1,0]=4 846 B7R1.4 CC1=CSC=C1N MCULE-9850701502 [0,1,0,0,0,0|2,1,0]=4 847 B7R1.4 CC1=CSN=C1Br MCULE-7851943835 [0,1,0,0,0,0|2,1,0]=4 848 B7R1.4 CC1=NNC=C1Br MCULE-1749367684 [0,1,0,0,0,0|3,0,0]=4 849 B7R1.4 CC1=NNC=C1Br MCULE-5959094368 [0,1,0,0,0,0|3,0,0]=4 850 B7R1.4 CC1=NNC=C1Cl MCULE-1754129627 [0,1,0,0,0,0|3,0,0]=4 851 B7R1.4 CC1=NNC=C1Cl MCULE-4343252949 [0,1,0,0,0,0|3,0,0]=4 852 B7R1.4 CC1=NNC=C1I MCULE-9590566058 [0,1,0,0,0,0|3,0,0]=4 853 B7R1.4 CC1=NNC=C1N MCULE-2511920915 [0,1,0,0,0,0|3,0,0]=4 854 B7R1.4 CC1=NNC=C1N MCULE-5966078729 [0,1,0,0,0,0|3,0,0]=4 855 B7R1.4 CC1=NNC=C1N MCULE-6524486526 [0,1,0,0,0,0|3,0,0]=4 856 B7R1.4 CC1=NOC=C1Br MCULE-7195499083 [0,1,0,0,0,0|2,0,0]=3 857 B7R1.4 CC1=NOC=C1N MCULE-4953481155 [0,1,0,0,0,0|2,0,0]=3 858 B7R1.4 CC1=NOC=C1N MCULE-7158422089 [0,1,0,0,0,0|2,0,0]=3 859 B7R1.4 CC1=NON=C1C MCULE-3224210198 [0,1,0,0,0,0|3,0,0]=4 860 B7R1.4 CC1=NON=C1N MCULE-3382265106 [0,1,0,0,0,0|3,0,0]=4 861 B7R1.4 CC1=NSC=C1Br MCULE-5960176770 [0,1,0,0,0,0|2,1,0]=4 862 B7R1.4 CC1=NSC=C1N MCULE-1714579639 [0,1,0,0,0,0|2,1,0]=4 863 B7R1.4 CC1=NSC=C1N MCULE-8952603976 [0,1,0,0,0,0|2,1,0]=4 864 B7R1.4 CC1C=NNC1=O MCULE-2547711142 [0,1,0,0,0,0|2,0,1]=4 865 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,1,0,0,0,0|1,0,2]=4 866 B7R1.4 CC1COCC1=O MCULE-8115238635 [0,1,0,0,0,0|1,0,2]=4 867 B7R1.4 CC1OCCC1=O MCULE-8278816952 [0,1,0,0,0,0|1,0,2]=4 868 B7R1.4 CN1C=CC=C1Cl MCULE-2760073099 [0,1,0,0,0,0|3,0,0]=4 869 B7R1.4 CN1C=CC=C1O MCULE-1520569878 [0,1,0,0,0,0|2,0,1]=4 870 B7R1.4 CN1C=CNC1=O MCULE-9198950029 [0,1,0,0,0,0|3,0,0]=4 871 B7R1.4 CN1C=NNC1=O MCULE-2122203722 [0,1,0,0,0,0|3,0,0]=4 872 B7R1.4 CN1CC=CC1=O MCULE-7879549885 [0,1,0,0,0,0|2,0,0]=3 873 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,1,0,0,0,0|2,0,1]=4 874 B7R1.4 CN1N=CC=C1Br MCULE-7101001570 [0,1,0,0,0,0|3,0,0]=4 875 B7R1.4 CN1N=CC=C1Cl MCULE-8962391076 [0,1,0,0,0,0|3,0,0]=4 876 B7R1.4 CN1N=CC=C1F MCULE-6023753197 [0,1,0,0,0,0|3,0,0]=4 877 B7R1.4 CN1N=CC=C1I MCULE-2407065536 [0,1,0,0,0,0|3,0,0]=4 878 B7R1.4 CN1N=CC=C1N MCULE-1453941617 [0,1,0,0,0,0|3,0,0]=4 879 B7R1.4 CN1N=CC=C1N MCULE-2315795709 [0,1,0,0,0,0|3,0,0]=4 880 B7R1.4 CN1N=CC=C1O MCULE-1012956210 [0,1,0,0,0,0|2,0,1]=4 881 B7R1.4 CN1N=CC=C1O MCULE-9024912006 [0,1,0,0,0,0|2,0,1]=4 882 B7R1.4 CN1N=CCC1=O MCULE-2362806196 [0,1,0,0,0,0|2,0,1]=4 883 B7R1.4 CN1NC=CC1=O MCULE-4425265471 [0,1,0,0,0,0|2,0,0]=3 884 B7R1.4 CN1NC=NC1=O MCULE-2476320995 [0,1,0,0,0,0|3,0,0]=4 885 B7R1.4 CN1SC=CC1=O MCULE-3887229553 [0,1,0,0,0,0|1,1,0]=3 886 B7R1.4 CN1SC=CC1=O MCULE-5825912822 [0,1,0,0,0,0|1,1,0]=3 887 B7R1.4 CN1SC=CC1=S MCULE-4327458448 [0,1,0,0,0,0|1,2,0]=4 888 B7R1.4 ClC1=C(C=CS1)Br MCULE-5904573808 [0,1,0,0,0,0|2,1,0]=4 889 B7R1.4 ClC1=C(NN=C1)Br MCULE-6098869235 [0,1,0,0,0,0|3,0,0]=4 890 B7R1.4 ClC1=C(SC=C1)Br MCULE-5923516825 [0,1,0,0,0,0|2,1,0]=4 891 B7R1.4 ClC1=C(SC=C1)Cl MCULE-8641122898 [0,1,0,0,0,0|2,1,0]=4 892 B7R1.4 ClC1=C(SC=C1)I MCULE-1131161173 [0,1,0,0,0,0|2,1,0]=4 893 B7R1.4 ClC1=CNN=C1I MCULE-6154416491 [0,1,0,0,0,0|3,0,0]=4 894 B7R1.4 ClC1=CSC=C1Br MCULE-4835390117 [0,1,0,0,0,0|2,1,0]=4 895 B7R1.4 ClC1=CSC=C1Cl MCULE-6800907390 [0,1,0,0,0,0|2,1,0]=4 896 B7R1.4 ClC1=NNC=C1Br MCULE-5791401027 [0,1,0,0,0,0|3,0,0]=4 897 B7R1.4 ClC1=NNC=C1I MCULE-8204543954 [0,1,0,0,0,0|3,0,0]=4 898 B7R1.4 FC1=CNC=C1F MCULE-8598105191 [0,1,0,0,0,0|3,0,0]=4 899 B7R1.4 FC1=CNN=C1Br MCULE-6049317308 [0,1,0,0,0,0|3,0,0]=4 900 B7R1.4 FC1=NNC=C1Br MCULE-7633401025 [0,1,0,0,0,0|3,0,0]=4 901 B7R1.4 FC1=NNC=C1Cl MCULE-9890167010 [0,1,0,0,0,0|3,0,0]=4 902 B7R1.4 FC1=NNC=C1I MCULE-1786270477 [0,1,0,0,0,0|3,0,0]=4 903 B7R1.4 IC1=C(SN=C1)I MCULE-2504821151 [0,1,0,0,0,0|2,1,0]=4 904 B7R1.4 IC1=CNN=C1I MCULE-5393733675 [0,1,0,0,0,0|3,0,0]=4 905 B7R1.4 IC1=COC=C1I MCULE-5679734572 [0,1,0,0,0,0|2,0,0]=3 906 B7R1.4 IC1=CSC=C1I MCULE-6619835651 [0,1,0,0,0,0|2,1,0]=4 907 B7R1.4 NC1=C(C=CS1)Br MCULE-9931355765 [0,1,0,0,0,0|2,1,0]=4 908 B7R1.4 NC1=C(C=NN1)Br MCULE-8679363916 [0,1,0,0,0,0|3,0,0]=4 909 B7R1.4 NC1=C(C=NN1)F MCULE-1693977921 [0,1,0,0,0,0|3,0,0]=4 910 B7R1.4 NC1=C(NN=C1)N MCULE-5202717352 [0,1,0,0,0,0|3,0,0]=4 911 B7R1.4 NC1=C(SC=C1)Br MCULE-5177518644 [0,1,0,0,0,0|2,1,0]=4 912 B7R1.4 NC1=C(SC=C1)Br MCULE-9842294434 [0,1,0,0,0,0|2,1,0]=4 913 B7R1.4 NC1=C(SC=C1)Cl MCULE-3109484453 [0,1,0,0,0,0|2,1,0]=4 914 B7R1.4 NC1=C(SC=C1)Cl MCULE-4898124373 [0,1,0,0,0,0|2,1,0]=4 915 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [0,1,0,0,0,0|1,0,0]=2 916 B7R1.4 NC1=CNN=C1Br MCULE-1534811592 [0,1,0,0,0,0|3,0,0]=4 917 B7R1.4 NC1=CNN=C1Br MCULE-2065721519 [0,1,0,0,0,0|3,0,0]=4 918 B7R1.4 NC1=CNN=C1Cl MCULE-2273143071 [0,1,0,0,0,0|3,0,0]=4 919 B7R1.4 NC1=CNN=C1Cl MCULE-7990573623 [0,1,0,0,0,0|3,0,0]=4 920 B7R1.4 NC1=CNN=C1F MCULE-6813885079 [0,1,0,0,0,0|3,0,0]=4 921 B7R1.4 NC1=CNN=C1N MCULE-1287724099 [0,1,0,0,0,0|3,0,0]=4 922 B7R1.4 NC1=CNN=C1N MCULE-2267689782 [0,1,0,0,0,0|3,0,0]=4 923 B7R1.4 NC1=CNN=C1N MCULE-4410982657 [0,1,0,0,0,0|3,0,0]=4 924 B7R1.4 NC1=CNNC1=O MCULE-5341060497 [0,1,0,0,0,0|2,0,0]=3 925 B7R1.4 NC1=CNNC1=O MCULE-9560987259 [0,1,0,0,0,0|2,0,0]=3 926 B7R1.4 NC1=CSC=C1Br MCULE-2426699535 [0,1,0,0,0,0|2,1,0]=4 927 B7R1.4 NC1=CSC=C1Br MCULE-7977776847 [0,1,0,0,0,0|2,1,0]=4 928 B7R1.4 NC1=CSC=C1Cl MCULE-9354005382 [0,1,0,0,0,0|2,1,0]=4 929 B7R1.4 NC1=CSC=C1Cl MCULE-9597525150 [0,1,0,0,0,0|2,1,0]=4 930 B7R1.4 NC1=CSC=C1N MCULE-3102958778 [0,1,0,0,0,0|2,1,0]=4 931 B7R1.4 NC1=CSC=C1N MCULE-8039905444 [0,1,0,0,0,0|2,1,0]=4 932 B7R1.4 NC1=CSC=C1N MCULE-9684053669 [0,1,0,0,0,0|2,1,0]=4 933 B7R1.4 NC1=NNC=C1Br MCULE-5565605259 [0,1,0,0,0,0|3,0,0]=4 934 B7R1.4 NC1=NNC=C1Cl MCULE-3378158822 [0,1,0,0,0,0|3,0,0]=4 935 B7R1.4 NC1=NNC=C1Cl MCULE-6959500523 [0,1,0,0,0,0|3,0,0]=4 936 B7R1.4 NC1=NNC=C1I MCULE-4763278542 [0,1,0,0,0,0|3,0,0]=4 937 B7R1.4 NC1=NOC=C1Br MCULE-5371812507 [0,1,0,0,0,0|2,0,0]=3 938 B7R1.4 NC1=NOC=C1Cl MCULE-3098999490 [0,1,0,0,0,0|2,0,0]=3 939 B7R1.4 NC1=NON=C1Cl MCULE-2142721475 [0,1,0,0,0,0|3,0,0]=4 940 B7R1.4 NC1=NON=C1N MCULE-9556144390 [0,1,0,0,0,0|3,0,0]=4 941 B7R1.4 NC1=NON=C1O MCULE-6904763946 [0,1,0,0,0,0|2,0,1]=4 942 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,1,0,0,0,0|1,0,2]=4 943 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,1,0,0,0,0|1,0,2]=4 944 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,1,0,0,0,0|1,0,2]=4 945 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,1,0,0,0,0|1,0,2]=4 946 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,1,0,0,0,0|1,0,2]=4 947 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,1,0,0,0,0|1,0,2]=4 948 B7R1.4 NC1CONC1=O MCULE-3118867985 [0,1,0,0,0,0|1,0,2]=4 949 B7R1.4 NC1CONC1=O MCULE-3159218372 [0,1,0,0,0,0|1,0,2]=4 950 B7R1.4 NN1C=NNC1=O MCULE-1613661520 [0,1,0,0,0,0|3,0,0]=4 951 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,1,0,0,0,0|2,0,1]=4 952 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,1,0,0,0,0|2,0,1]=4 953 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,1,0,0,0,0|1,0,2]=4 954 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,1,0,0,0,0|1,0,2]=4 955 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,1,0,0,0,0|1,0,2]=4 956 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,1,0,0,0,0|1,0,2]=4 957 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [0,1,0,0,0,0|1,0,2]=4 958 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [0,1,0,0,0,0|1,0,2]=4 959 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,1,0,0,0,0|1,0,2]=4 960 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,1,0,0,0,0|1,0,2]=4 961 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,1,0,0,0,0|1,0,2]=4 962 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,1,0,0,0,0|1,0,2]=4 963 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,1,0,0,0,0|1,0,2]=4 964 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [0,1,0,0,0,0|1,0,2]=4 965 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [0,1,0,0,0,0|1,0,2]=4 966 B7R1.4 O=C1CCC=C1Br MCULE-1509582125 [0,1,0,0,0,0|2,0,0]=3 967 B7R1.4 O=C1CCC=C1I MCULE-2710048446 [0,1,0,0,0,0|2,0,0]=3 968 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [0,1,0,0,0,0|2,0,0]=3 969 B7R1.4 O=C1CCCC1=O MCULE-8040167119 [0,1,0,0,0,0|2,0,1]=4 970 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [0,1,0,0,0,0|2,0,1]=4 971 B7R1.4 O=C1OCC=C1Br MCULE-9287853531 [0,1,0,0,0,0|1,0,0]=2 972 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,1,0,0,0,0|1,0,2]=4 973 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,1,0,0,0,0|1,0,2]=4 974 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,1,0,0,0,0|1,0,2]=4 975 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,1,0,0,0,0|1,0,2]=4 976 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,1,0,0,0,0|1,0,2]=4 977 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,1,0,0,0,0|1,0,2]=4 978 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,1,0,0,0,0|1,0,2]=4 979 B7R1.4 OC1=CSC=C1O MCULE-7694152673 [0,1,0,0,0,0|1,1,1]=4 980 B7R1.4 OC1=NOC=C1Br MCULE-1436145132 [0,1,0,0,0,0|1,0,1]=3 981 B7R1.4 OC1=NON=C1O MCULE-7695663038 [0,1,0,0,0,0|2,0,1]=4 982 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,1,0,0,0,0|1,0,2]=4 983 B7R1.14 O=P1(C=CCC1)Cl MCULE-4153870806 [0,1,0,0,0,0|3,0,0]=4 984 B7R1.14 O=S1(=O)C=CCC1 MCULE-7689521769 [0,1,0,0,0,0|3,0,0]=4 985 B7R1.14 O=S1(=O)C=CCN1 MCULE-1393327309 [0,1,0,0,0,0|3,0,0]=4 986 B7R1.14 O=S1(=O)C=CCO1 MCULE-5410343136 [0,1,0,0,0,0|2,0,0]=3 987 B5R0.1 C#CCC(=O)O MCULE-4680699666 [0,0,1,0,0,0|1,0,2]=4 988 B5R0.1 C/C=C/B(O)O MCULE-6649221952 [0,0,1,0,0,0|2,0,1]=4 989 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [0,0,1,0,0,0|2,0,0]=3 990 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [0,0,1,0,0,0|2,0,0]=3 991 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [0,0,1,0,0,0|2,0,0]=3 992 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [0,0,1,0,0,0|1,0,0]=2 993 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [0,0,1,0,0,0|2,0,1]=4 994 B5R0.1 C/C=C\B(O)O MCULE-3000711987 [0,0,1,0,0,0|2,0,1]=4 995 B5R0.1 C=C(Br)COC MCULE-5349428431 [0,0,1,0,0,0|2,0,1]=4 996 B5R0.1 C=C(C)CON MCULE-2773974323 [0,0,1,0,0,0|3,0,0]=4 997 B5R0.1 C=C(C)CON MCULE-5978680243 [0,0,1,0,0,0|3,0,0]=4 998 B5R0.1 C=C(C)OCC MCULE-5303468686 [0,0,1,0,0,0|2,0,1]=4 999 B5R0.1 C=CC=C(C)C MCULE-7590870659 [0,0,1,0,0,0|3,0,0]=4 1000 B5R0.1 C=CC=C(Cl)Cl MCULE-3787858961 [0,0,1,0,0,0|3,0,0]=4 1001 B5R0.1 C=CCC(=C)C MCULE-6294070836 [0,0,1,0,0,0|3,0,0]=4 1002 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [0,0,1,0,0,0|2,0,1]=4 1003 B5R0.1 C=CCC(=O)N MCULE-1205335257 [0,0,1,0,0,0|2,0,1]=4 1004 B5R0.1 C=CCC(=O)O MCULE-6288979337 [0,0,1,0,0,0|1,0,1]=3 1005 B5R0.1 C=CNC(=O)C MCULE-1260296806 [0,0,1,0,0,0|2,0,1]=4 1006 B5R0.1 C=CNC(=O)N MCULE-4235216182 [0,0,1,0,0,0|3,0,0]=4 1007 B5R0.1 C=COC(=O)C MCULE-7626795765 [0,0,1,0,0,0|1,0,1]=3 1008 B5R0.1 C=COC(=O)Cl MCULE-9915729615 [0,0,1,0,0,0|2,0,0]=3 1009 B5R0.1 C=C[CH+]C(=O)[O-] MCULE-7935071431 [0,0,1,0,0,0|1,0,2]=4 1010 B5R0.1 C=NCC(=O)N MCULE-7609497329 [0,0,1,0,0,0|3,0,0]=4 1011 B5R0.1 CC#CC(=O)O MCULE-9994142213 [0,0,1,0,0,0|1,0,2]=4 1012 B5R0.1 CC(=CC=O)C MCULE-7002222435 [0,0,1,0,0,0|2,0,1]=4 1013 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [0,0,1,0,0,0|2,0,1]=4 1014 B5R0.1 CC(=CC=O)N MCULE-2659507627 [0,0,1,0,0,0|2,0,1]=4 1015 B5R0.1 CC(=CCO)C MCULE-3984123588 [0,0,1,0,0,0|2,0,1]=4 1016 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [0,0,1,0,0,0|2,0,1]=4 1017 B5R0.1 CC(=CCO)I MCULE-4600854759 [0,0,1,0,0,0|2,0,1]=4 1018 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [0,0,1,0,0,0|2,0,0]=3 1019 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [0,0,1,0,0,0|2,0,0]=3 1020 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [0,0,1,0,0,0|1,0,2]=4 1021 B5R0.1 CC(=O)C=NO MCULE-5513006918 [0,0,1,0,0,0|2,0,0]=3 1022 B5R0.1 CC(=O)CCO MCULE-6328537335 [0,0,1,0,0,0|1,0,2]=4 1023 B5R0.1 CC(=O)NCO MCULE-4563335540 [0,0,1,0,0,0|2,0,1]=4 1024 B5R0.1 CC(=O)OCBr MCULE-9842804945 [0,0,1,0,0,0|2,0,1]=4 1025 B5R0.1 CC(=O)OCCl MCULE-6822222026 [0,0,1,0,0,0|2,0,1]=4 1026 B5R0.1 CC=CB(O)O MCULE-7417903348 [0,0,1,0,0,0|2,0,1]=4 1027 B5R0.1 CC=CC(=O)C MCULE-4826977340 [0,0,1,0,0,0|2,0,0]=3 1028 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [0,0,1,0,0,0|2,0,0]=3 1029 B5R0.1 CC=CC(=O)N MCULE-9693879476 [0,0,1,0,0,0|2,0,0]=3 1030 B5R0.1 CC=CC(=O)O MCULE-7970410217 [0,0,1,0,0,0|1,0,0]=2 1031 B5R0.1 CC=CC(C)O MCULE-4806592836 [0,0,1,0,0,0|2,0,1]=4 1032 B5R0.1 CC=C[N+](=O)[O-] MCULE-2987135481 [0,0,1,0,0,0|2,0,1]=4 1033 B5R0.1 CCCC(=O)O MCULE-4116382006 [0,0,1,0,0,0|1,0,2]=4 1034 B5R0.1 CCOC(=O)C MCULE-6628539781 [0,0,1,0,0,0|1,0,2]=4 1035 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [0,0,1,0,0,0|2,0,1]=4 1036 B5R0.1 CCOC(=O)N MCULE-1776877276 [0,0,1,0,0,0|2,0,1]=4 1037 B5R0.1 CNCC(=O)O MCULE-3448356048 [0,0,1,0,0,0|2,0,1]=4 1038 B5R0.1 CNCC(=O)O MCULE-4484444573 [0,0,1,0,0,0|2,0,1]=4 1039 B5R0.1 CNOC(=O)C MCULE-1464426541 [0,0,1,0,0,0|1,0,2]=4 1040 B5R0.1 CNOC(=O)C MCULE-2976282666 [0,0,1,0,0,0|1,0,2]=4 1041 B5R0.1 COCC(=O)C MCULE-7262197587 [0,0,1,0,0,0|1,0,2]=4 1042 B5R0.1 COCC(=O)Cl MCULE-5449267495 [0,0,1,0,0,0|2,0,1]=4 1043 B5R0.1 COCC(=O)N MCULE-6674958132 [0,0,1,0,0,0|2,0,1]=4 1044 B5R0.1 COCC(=O)O MCULE-3945589151 [0,0,1,0,0,0|2,0,1]=4 1045 B5R0.1 CONC(=O)C MCULE-6601866630 [0,0,1,0,0,0|1,0,2]=4 1046 B5R0.1 CONC(=O)N MCULE-3063713861 [0,0,1,0,0,0|2,0,1]=4 1047 B5R0.1 CSCC(=O)O MCULE-7003418159 [0,0,1,0,0,0|2,0,1]=4 1048 B5R0.1 N#CCC(=O)O MCULE-3440765061 [0,0,1,0,0,0|1,0,2]=4 1049 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [0,0,1,0,0,0|2,0,0]=3 1050 B5R0.1 NC(=O)C=NO MCULE-6447662753 [0,0,1,0,0,0|2,0,0]=3 1051 B5R0.1 NC(=O)CCO MCULE-4026170350 [0,0,1,0,0,0|1,0,2]=4 1052 B5R0.1 NC(=O)NCO MCULE-7403641101 [0,0,1,0,0,0|2,0,1]=4 1053 B5R0.1 NCCC(=O)O MCULE-1344289084 [0,0,1,0,0,0|1,0,2]=4 1054 B5R0.1 NCCC(=O)O MCULE-2298605337 [0,0,1,0,0,0|1,0,2]=4 1055 B5R0.1 NCCC(=O)O MCULE-9375577631 [0,0,1,0,0,0|1,0,2]=4 1056 B5R0.1 NNCC(=O)O MCULE-4908184724 [0,0,1,0,0,0|2,0,1]=4 1057 B5R0.1 NNCC(=O)O MCULE-6315598774 [0,0,1,0,0,0|2,0,1]=4 1058 B5R0.1 NOCC(=O)O MCULE-4566186819 [0,0,1,0,0,0|2,0,1]=4 1059 B5R0.1 NOCC(=O)O MCULE-4824237418 [0,0,1,0,0,0|2,0,1]=4 1060 B5R0.1 NOCC(=O)O MCULE-8132180423 [0,0,1,0,0,0|2,0,1]=4 1061 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [0,0,1,0,0,0|2,0,0]=3 1062 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [0,0,1,0,0,0|3,0,0]=4 1063 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [0,0,1,0,0,0|1,0,0]=2 1064 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [0,0,1,0,0,0|1,0,0]=2 1065 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [0,0,1,0,0,0|1,0,0]=2 1066 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [0,0,1,0,0,0|1,0,0]=2 1067 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [0,0,1,0,0,0|1,0,0]=2 1068 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [0,0,1,0,0,0|1,0,0]=2 1069 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [0,0,1,0,0,0|1,0,0]=2 1070 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [0,0,1,0,0,0|1,0,2]=4 1071 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [0,0,1,0,0,0|1,0,0]=2 1072 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [0,0,1,0,0,0|1,0,0]=2 1073 B5R0.1 O=C(O)C=CI MCULE-7162332129 [0,0,1,0,0,0|1,0,0]=2 1074 B5R0.1 O=C(O)C=NO MCULE-2039309679 [0,0,1,0,0,0|1,0,0]=2 1075 B5R0.1 O=C(O)CCBr MCULE-2816055853 [0,0,1,0,0,0|1,0,2]=4 1076 B5R0.1 O=C(O)CCCl MCULE-8511144183 [0,0,1,0,0,0|1,0,2]=4 1077 B5R0.1 O=C(O)CCF MCULE-4382025684 [0,0,1,0,0,0|1,0,2]=4 1078 B5R0.1 O=C(O)CCI MCULE-3371354708 [0,0,1,0,0,0|1,0,2]=4 1079 B5R0.1 O=C(O)CCO MCULE-3428604829 [0,0,1,0,0,0|0,0,2]=3 1080 B5R0.1 O=C(O)CCS MCULE-3211932163 [0,0,1,0,0,0|0,1,2]=4 1081 B5R0.1 O=C(O)CNO MCULE-4437067339 [0,0,1,0,0,0|1,0,1]=3 1082 B5R0.1 O=C([O-])C#CO MCULE-3725047218 [0,0,1,0,0,0|0,0,3]=4 1083 B5R0.1 O=C([O-])C#CO MCULE-9125153565 [0,0,1,0,0,0|0,0,3]=4 1084 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [0,0,1,0,0,0|1,0,1]=3 1085 B5R0.1 O=C([O-])CCO MCULE-4429611588 [0,0,1,0,0,0|0,0,3]=4 1086 B5R0.1 OCC=C(Cl)Cl MCULE-6473037027 [0,0,1,0,0,0|2,0,1]=4 1087 B5R0.1 P(=O)(O)C=C=C MCULE-4922910477 [0,0,1,0,0,0|2,0,1]=4 1088 B5R0.2 C/C=C/C=C/C MCULE-9400628806 [0,0,1,0,0,0|3,0,0]=4 1089 B5R0.2 C/C=C/CCO MCULE-3952855392 [0,0,1,0,0,0|2,0,1]=4 1090 B5R0.2 C=C/C=C/C=C MCULE-2938938774 [0,0,1,0,0,0|3,0,0]=4 1091 B5R0.2 C=C/C=C/CC MCULE-5996202716 [0,0,1,0,0,0|3,0,0]=4 1092 B5R0.2 C=C=COC=C MCULE-3691748324 [0,0,1,0,0,0|2,0,1]=4 1093 B5R0.2 C=CC/C=C/C MCULE-8732875285 [0,0,1,0,0,0|3,0,0]=4 1094 B5R0.2 C=CCC=CC MCULE-8643449832 [0,0,1,0,0,0|3,0,0]=4 1095 B5R0.2 C=CCCC=C MCULE-2599309974 [0,0,1,0,0,0|3,0,0]=4 1096 B5R0.2 C=CCCC=O MCULE-7850336174 [0,0,1,0,0,0|2,0,0]=3 1097 B5R0.2 C=CCN=C=O MCULE-3142552406 [0,0,1,0,0,0|2,0,1]=4 1098 B5R0.2 C=CCNC=O MCULE-1911798514 [0,0,1,0,0,0|2,0,0]=3 1099 B5R0.2 C=CCOC=C MCULE-7085070702 [0,0,1,0,0,0|2,0,0]=3 1100 B5R0.2 C=CCOC=O MCULE-4161785970 [0,0,1,0,0,0|1,0,0]=2 1101 B5R0.2 C=CCOCC MCULE-4363356618 [0,0,1,0,0,0|2,0,1]=4 1102 B5R0.2 C=CCOCCl MCULE-6656252526 [0,0,1,0,0,0|2,0,1]=4 1103 B5R0.2 C=CCONC MCULE-4537899476 [0,0,1,0,0,0|3,0,0]=4 1104 B5R0.2 C=CCONC MCULE-9645204142 [0,0,1,0,0,0|3,0,0]=4 1105 B5R0.2 C=COCCC MCULE-4423853666 [0,0,1,0,0,0|2,0,1]=4 1106 B5R0.2 C=COCCCl MCULE-7782311030 [0,0,1,0,0,0|2,0,1]=4 1107 B5R0.2 C=COCCN MCULE-8052872924 [0,0,1,0,0,0|2,0,1]=4 1108 B5R0.2 C=COCCN MCULE-8496820259 [0,0,1,0,0,0|2,0,1]=4 1109 B5R0.2 C=COCCO MCULE-9383372818 [0,0,1,0,0,0|1,0,2]=4 1110 B5R0.2 CC/C=C/C=O MCULE-5102906061 [0,0,1,0,0,0|2,0,0]=3 1111 B5R0.2 CC/C=C\CO MCULE-5480473249 [0,0,1,0,0,0|2,0,1]=4 1112 B5R0.2 CC=CC=CC MCULE-7702675183 [0,0,1,0,0,0|3,0,0]=4 1113 B5R0.2 CC=CCCO MCULE-4302367089 [0,0,1,0,0,0|2,0,1]=4 1114 B5R0.2 CCC=CC=O MCULE-1318250395 [0,0,1,0,0,0|2,0,0]=3 1115 B5R0.2 CCC=CCO MCULE-5633399984 [0,0,1,0,0,0|2,0,1]=4 1116 B5R0.2 CCCOC=O MCULE-3133604529 [0,0,1,0,0,0|1,0,2]=4 1117 B5R0.2 COC=CC#N MCULE-4212629233 [0,0,1,0,0,0|2,0,1]=4 1118 B5R0.2 COCCC=O MCULE-2812117208 [0,0,1,0,0,0|1,0,2]=4 1119 B5R0.2 N#CCOC=O MCULE-4453241991 [0,0,1,0,0,0|2,0,1]=4 1120 B5R0.2 NCC=CCO MCULE-4993379992 [0,0,1,0,0,0|2,0,1]=4 1121 B5R0.2 NOC/C=C/Cl MCULE-3781481075 [0,0,1,0,0,0|2,0,1]=4 1122 B5R0.2 NOC/C=C/Cl MCULE-8874475488 [0,0,1,0,0,0|2,0,1]=4 1123 B5R0.2 NOCC=CCl MCULE-5233830243 [0,0,1,0,0,0|2,0,1]=4 1124 B5R0.2 NOCC=CCl MCULE-7677577759 [0,0,1,0,0,0|2,0,1]=4 1125 B5R0.2 O/N=C/C=N/O MCULE-6032089277 [0,0,1,0,0,0|2,0,1]=4 1126 B5R0.2 O=CCCC=O MCULE-3362810468 [0,0,1,0,0,0|3,0,0]=4 1127 B5R0.2 O=CCCC=O MCULE-3813951568 [0,0,1,0,0,0|3,0,0]=4 1128 B5R0.2 O=CCCCO MCULE-8728420992 [0,0,1,0,0,0|1,0,2]=4 1129 B5R0.2 O=CNCCO MCULE-3688614090 [0,0,1,0,0,0|2,0,1]=4 1130 B5R0.2 O=CNNC=O MCULE-7634212643 [0,0,1,0,0,0|3,0,0]=4 1131 B5R0.2 O=COCCO MCULE-1922672843 [0,0,1,0,0,0|2,0,1]=4 1132 B5R0.2 OC/C=C/CCl MCULE-4378785113 [0,0,1,0,0,0|2,0,1]=4 1133 B5R0.2 OC/C=C/CO MCULE-4752272005 [0,0,1,0,0,0|1,0,2]=4 1134 B5R0.2 OC/C=C\CO MCULE-2695577582 [0,0,1,0,0,0|1,0,2]=4 1135 B5R0.2 OCC=CCCl MCULE-7597942117 [0,0,1,0,0,0|2,0,1]=4 1136 B5R0.2 OCC=CCO MCULE-9559211408 [0,0,1,0,0,0|1,0,2]=4 1137 B5R0.2 ON=CC=NO MCULE-4643147888 [0,0,1,0,0,0|2,0,1]=4 1138 B5R0.3 C#CC(=O)OC MCULE-5108326717 [0,0,1,0,0,0|1,0,2]=4 1139 B5R0.3 C=C/C(=C/C)/C MCULE-6445909882 [0,0,1,0,0,0|3,0,0]=4 1140 B5R0.3 C=CC(=CC)C MCULE-8585683674 [0,0,1,0,0,0|3,0,0]=4 1141 B5R0.3 C=CC(=O)C=C MCULE-8555160354 [0,0,1,0,0,0|2,0,0]=3 1142 B5R0.3 C=CC(=O)CC MCULE-7277696617 [0,0,1,0,0,0|2,0,0]=3 1143 B5R0.3 C=CC(=O)NC MCULE-5619481947 [0,0,1,0,0,0|2,0,0]=3 1144 B5R0.3 C=CC(=O)NN MCULE-4327484127 [0,0,1,0,0,0|2,0,0]=3 1145 B5R0.3 C=CC(=O)NN MCULE-4961696321 [0,0,1,0,0,0|2,0,0]=3 1146 B5R0.3 C=CC(=O)NO MCULE-9528737042 [0,0,1,0,0,0|1,0,0]=2 1147 B5R0.3 C=CC(=O)OC MCULE-6010665978 [0,0,1,0,0,0|1,0,0]=2 1148 B5R0.3 C=CC(C)ON MCULE-2385478473 [0,0,1,0,0,0|2,0,1]=4 1149 B5R0.3 C=CC(C)ON MCULE-3428023923 [0,0,1,0,0,0|2,0,1]=4 1150 B5R0.3 C=CC(N)CO MCULE-2457433196 [0,0,1,0,0,0|2,0,1]=4 1151 B5R0.3 C=CC(N)CO MCULE-6697949182 [0,0,1,0,0,0|2,0,1]=4 1152 B5R0.3 C=CC(N)CO MCULE-7137123222 [0,0,1,0,0,0|2,0,1]=4 1153 B5R0.3 C=CC(N)CO MCULE-8388687355 [0,0,1,0,0,0|2,0,1]=4 1154 B5R0.3 C=CC(O)CO MCULE-6172654550 [0,0,1,0,0,0|1,0,2]=4 1155 B5R0.3 C=CS(=O)C=C MCULE-5650907653 [0,0,1,0,0,0|3,0,0]=4 1156 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [0,0,1,0,0,0|2,0,1]=4 1157 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [0,0,1,0,0,0|2,0,1]=4 1158 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [0,0,1,0,0,0|2,0,1]=4 1159 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [0,0,1,0,0,0|2,0,1]=4 1160 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [0,0,1,0,0,0|1,0,2]=4 1161 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [0,0,1,0,0,0|2,0,1]=4 1162 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [0,0,1,0,0,0|2,0,1]=4 1163 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [0,0,1,0,0,0|2,0,1]=4 1164 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [0,0,1,0,0,0|2,0,1]=4 1165 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [0,0,1,0,0,0|1,0,2]=4 1166 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [0,0,1,0,0,0|1,0,2]=4 1167 B5R0.3 CC(=CI)CO MCULE-8491569199 [0,0,1,0,0,0|3,0,0]=4 1168 B5R0.3 CCC(=O)CO MCULE-8674894820 [0,0,1,0,0,0|1,0,2]=4 1169 B5R0.3 CCC(=O)NO MCULE-1033164448 [0,0,1,0,0,0|1,0,2]=4 1170 B5R0.3 CCC(=O)OC MCULE-7384824725 [0,0,1,0,0,0|1,0,2]=4 1171 B5R0.3 CNC(=O)CO MCULE-5899226107 [0,0,1,0,0,0|2,0,1]=4 1172 B5R0.3 CNC(=O)OC MCULE-1162861376 [0,0,1,0,0,0|2,0,1]=4 1173 B5R0.3 COC(=O)C#N MCULE-8762838190 [0,0,1,0,0,0|2,0,1]=4 1174 B5R0.3 COC(=O)C=O MCULE-2685327079 [0,0,1,0,0,0|2,0,0]=3 1175 B5R0.3 COC(=O)CBr MCULE-2684954408 [0,0,1,0,0,0|2,0,1]=4 1176 B5R0.3 COC(=O)CCl MCULE-5886832940 [0,0,1,0,0,0|2,0,1]=4 1177 B5R0.3 COC(=O)CF MCULE-4367430175 [0,0,1,0,0,0|2,0,1]=4 1178 B5R0.3 COC(=O)CI MCULE-9545584156 [0,0,1,0,0,0|2,0,1]=4 1179 B5R0.3 COC(=O)CN MCULE-7462799100 [0,0,1,0,0,0|2,0,1]=4 1180 B5R0.3 COC(=O)CN MCULE-8887061469 [0,0,1,0,0,0|2,0,1]=4 1181 B5R0.3 COC(=O)CO MCULE-8734582763 [0,0,1,0,0,0|2,0,1]=4 1182 B5R0.3 COC(=O)CS MCULE-3020830180 [0,0,1,0,0,0|2,0,1]=4 1183 B5R0.3 COC(=O)NN MCULE-2637794839 [0,0,1,0,0,0|3,0,0]=4 1184 B5R0.3 COC(=O)OC MCULE-7488725621 [0,0,1,0,0,0|2,0,1]=4 1185 B5R0.3 COC(=O)SCl MCULE-1018411491 [0,0,1,0,0,0|3,0,0]=4 1186 B5R0.3 NCC(=O)NO MCULE-5417617455 [0,0,1,0,0,0|2,0,1]=4 1187 B5R0.3 NNC(=O)CO MCULE-8443636349 [0,0,1,0,0,0|3,0,0]=4 1188 B5R0.3 NNC(=O)NO MCULE-7106168898 [0,0,1,0,0,0|3,0,0]=4 1189 B5R0.3 O=C(CO)CO MCULE-7188810449 [0,0,1,0,0,0|2,0,1]=4 1190 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [0,0,1,0,0,0|3,0,0]=4 1191 B5R0.3 O=CC(=O)CO MCULE-7273475675 [0,0,1,0,0,0|2,0,0]=3 1192 B5R1.2 BrC1=CCC1 MCULE-7839710306 [0,0,0,0,1,0|2,0,1]=4 1193 B5R1.2 C=C1COC1 MCULE-1822645869 [0,0,0,0,1,0|2,0,1]=4 1194 B5R1.2 O=C1CCC1 MCULE-4870967355 [0,0,0,0,1,0|1,0,2]=4 1195 B5R1.2 O=C1CCN1 MCULE-9053067221 [0,0,0,0,1,0|1,0,2]=4 1196 B5R1.2 O=C1CCO1 MCULE-1277069147 [0,0,0,0,1,0|0,0,2]=3 1197 B5R1.2 O=C1CNC1 MCULE-5171659870 [0,0,0,0,1,0|2,0,1]=4 1198 B5R1.2 O=C1CNC1 MCULE-8293494956 [0,0,0,0,1,0|2,0,1]=4 1199 B5R1.2 O=C1COC1 MCULE-6847248632 [0,0,0,0,1,0|1,0,1]=3 1200 B5R1.2 O=C1CSC1 MCULE-4436071261 [0,0,0,0,1,0|1,1,1]=4 1201 B7R1.3 BrC1=CC=CC=C1 MCULE-5539191636 [0,0,0,0,0,1|3,0,0]=4 1202 B7R1.3 BrC1=CC=NC=C1 MCULE-2222072962 [0,0,0,0,0,1|3,0,0]=4 1203 B7R1.3 BrC1=CC=NC=C1 MCULE-3172600157 [0,0,0,0,0,1|3,0,0]=4 1204 B7R1.3 BrC1=CC=NC=C1 MCULE-6092566644 [0,0,0,0,0,1|3,0,0]=4 1205 B7R1.3 BrC1=CC=NC=N1 MCULE-8798834010 [0,0,0,0,0,1|3,0,0]=4 1206 B7R1.3 BrC1=CC=NN=C1 MCULE-7275687625 [0,0,0,0,0,1|3,0,0]=4 1207 B7R1.3 BrC1=CCOCC1 MCULE-7609274912 [0,0,0,0,0,1|2,0,1]=4 1208 B7R1.3 BrC1=CN=CC=C1 MCULE-1095474238 [0,0,0,0,0,1|3,0,0]=4 1209 B7R1.3 BrC1=CN=CN=C1 MCULE-7583121601 [0,0,0,0,0,1|3,0,0]=4 1210 B7R1.3 BrC1=CN=NC=C1 MCULE-2216329672 [0,0,0,0,0,1|3,0,0]=4 1211 B7R1.3 BrC1=CN=NC=C1 MCULE-4951088942 [0,0,0,0,0,1|3,0,0]=4 1212 B7R1.3 BrC1=NC=CC=C1 MCULE-1729799266 [0,0,0,0,0,1|3,0,0]=4 1213 B7R1.3 BrC1=NC=CC=N1 MCULE-3436409627 [0,0,0,0,0,1|3,0,0]=4 1214 B7R1.3 BrC1=NC=CN=C1 MCULE-2211876361 [0,0,0,0,0,1|3,0,0]=4 1215 B7R1.3 BrC1=NC=CN=C1 MCULE-6139386897 [0,0,0,0,0,1|3,0,0]=4 1216 B7R1.3 BrC1=NC=CN=C1 MCULE-6799169881 [0,0,0,0,0,1|3,0,0]=4 1217 B7R1.3 BrC1=NC=NC=C1 MCULE-6310069143 [0,0,0,0,0,1|3,0,0]=4 1218 B7R1.3 BrC1=NC=NC=C1 MCULE-9965725184 [0,0,0,0,0,1|3,0,0]=4 1219 B7R1.3 BrC1=NN=CC=C1 MCULE-4286020709 [0,0,0,0,0,1|3,0,0]=4 1220 B7R1.3 BrC1=NN=CC=C1 MCULE-5739236689 [0,0,0,0,0,1|3,0,0]=4 1221 B7R1.3 CC1=CC=CC=C1 MCULE-4817136027 [0,0,0,0,0,1|3,0,0]=4 1222 B7R1.3 CC1=CC=CCC1 MCULE-3797800778 [0,0,0,0,0,1|3,0,0]=4 1223 B7R1.3 CC1=CC=NC=C1 MCULE-2244521363 [0,0,0,0,0,1|3,0,0]=4 1224 B7R1.3 CC1=CC=NC=C1 MCULE-5336385904 [0,0,0,0,0,1|3,0,0]=4 1225 B7R1.3 CC1=CC=NC=N1 MCULE-7063100764 [0,0,0,0,0,1|3,0,0]=4 1226 B7R1.3 CC1=CCC=CC1 MCULE-8148706670 [0,0,0,0,0,1|3,0,0]=4 1227 B7R1.3 CC1=CCCC=C1 MCULE-6224653152 [0,0,0,0,0,1|3,0,0]=4 1228 B7R1.3 CC1=CN=CC=C1 MCULE-7651055603 [0,0,0,0,0,1|3,0,0]=4 1229 B7R1.3 CC1=CN=CN=C1 MCULE-7076758617 [0,0,0,0,0,1|3,0,0]=4 1230 B7R1.3 CC1=CN=NC=C1 MCULE-4894279826 [0,0,0,0,0,1|3,0,0]=4 1231 B7R1.3 CC1=NC=CC=C1 MCULE-3857746542 [0,0,0,0,0,1|3,0,0]=4 1232 B7R1.3 CC1=NC=CC=N1 MCULE-4218922171 [0,0,0,0,0,1|3,0,0]=4 1233 B7R1.3 CC1=NC=CN=C1 MCULE-8697656728 [0,0,0,0,0,1|3,0,0]=4 1234 B7R1.3 CC1=NC=CN=N1 MCULE-7324585353 [0,0,0,0,0,1|3,0,0]=4 1235 B7R1.3 CC1=NN=CC=C1 MCULE-3738378616 [0,0,0,0,0,1|3,0,0]=4 1236 B7R1.3 ClC1=CC=CC=C1 MCULE-2469021740 [0,0,0,0,0,1|3,0,0]=4 1237 B7R1.3 ClC1=CC=CN=C1 MCULE-9085902014 [0,0,0,0,0,1|3,0,0]=4 1238 B7R1.3 ClC1=CC=NC=C1 MCULE-1567063482 [0,0,0,0,0,1|3,0,0]=4 1239 B7R1.3 ClC1=CC=NC=C1 MCULE-4451402923 [0,0,0,0,0,1|3,0,0]=4 1240 B7R1.3 ClC1=CC=NN=C1 MCULE-2254182212 [0,0,0,0,0,1|3,0,0]=4 1241 B7R1.3 ClC1=CC=NN=C1 MCULE-8504211146 [0,0,0,0,0,1|3,0,0]=4 1242 B7R1.3 ClC1=CN=CN=C1 MCULE-2267829360 [0,0,0,0,0,1|3,0,0]=4 1243 B7R1.3 ClC1=NC=CC=C1 MCULE-2536757727 [0,0,0,0,0,1|3,0,0]=4 1244 B7R1.3 ClC1=NC=CC=N1 MCULE-9727394403 [0,0,0,0,0,1|3,0,0]=4 1245 B7R1.3 ClC1=NC=CC=N1 MCULE-9809073662 [0,0,0,0,0,1|3,0,0]=4 1246 B7R1.3 ClC1=NC=CN=C1 MCULE-9767491317 [0,0,0,0,0,1|3,0,0]=4 1247 B7R1.3 ClC1=NC=NC=C1 MCULE-8906251481 [0,0,0,0,0,1|3,0,0]=4 1248 B7R1.3 ClC1=NC=NC=C1 MCULE-9822994614 [0,0,0,0,0,1|3,0,0]=4 1249 B7R1.3 ClC1=NN=CC=C1 MCULE-2309390825 [0,0,0,0,0,1|3,0,0]=4 1250 B7R1.3 ClC1=NN=CC=C1 MCULE-6449902222 [0,0,0,0,0,1|3,0,0]=4 1251 B7R1.3 FC1=CC=CC=C1 MCULE-7689730731 [0,0,0,0,0,1|3,0,0]=4 1252 B7R1.3 FC1=CC=CC=N1 MCULE-4318085181 [0,0,0,0,0,1|3,0,0]=4 1253 B7R1.3 FC1=CC=NC=C1 MCULE-2130918826 [0,0,0,0,0,1|3,0,0]=4 1254 B7R1.3 FC1=CC=NC=C1 MCULE-8356966938 [0,0,0,0,0,1|3,0,0]=4 1255 B7R1.3 FC1=CC=NC=N1 MCULE-3993775864 [0,0,0,0,0,1|3,0,0]=4 1256 B7R1.3 FC1=CN=CC=C1 MCULE-6217696240 [0,0,0,0,0,1|3,0,0]=4 1257 B7R1.3 FC1=CN=CN=C1 MCULE-3924508869 [0,0,0,0,0,1|3,0,0]=4 1258 B7R1.3 FC1=NC=CC=N1 MCULE-8366607881 [0,0,0,0,0,1|3,0,0]=4 1259 B7R1.3 FC1=NC=CN=C1 MCULE-1328990702 [0,0,0,0,0,1|3,0,0]=4 1260 B7R1.3 FC1=NN=CC=C1 MCULE-4656806531 [0,0,0,0,0,1|3,0,0]=4 1261 B7R1.3 IC1=CC=CC=C1 MCULE-7469705320 [0,0,0,0,0,1|3,0,0]=4 1262 B7R1.3 IC1=CC=CN=C1 MCULE-7808525972 [0,0,0,0,0,1|3,0,0]=4 1263 B7R1.3 IC1=CC=NC=C1 MCULE-6770844712 [0,0,0,0,0,1|3,0,0]=4 1264 B7R1.3 IC1=CC=NC=N1 MCULE-1652629317 [0,0,0,0,0,1|3,0,0]=4 1265 B7R1.3 IC1=CC=NN=C1 MCULE-6549672042 [0,0,0,0,0,1|3,0,0]=4 1266 B7R1.3 IC1=CN=CC=N1 MCULE-3911519469 [0,0,0,0,0,1|3,0,0]=4 1267 B7R1.3 IC1=CN=CN=C1 MCULE-8542082458 [0,0,0,0,0,1|3,0,0]=4 1268 B7R1.3 IC1=NC=CC=C1 MCULE-9127362958 [0,0,0,0,0,1|3,0,0]=4 1269 B7R1.3 IC1=NC=CC=N1 MCULE-6535760159 [0,0,0,0,0,1|3,0,0]=4 1270 B7R1.3 IC1=NC=NC=C1 MCULE-9681862275 [0,0,0,0,0,1|3,0,0]=4 1271 B7R1.3 IC1=NN=CC=C1 MCULE-3896715093 [0,0,0,0,0,1|3,0,0]=4 1272 B7R1.3 NC1=CC=CC=C1 MCULE-4847634429 [0,0,0,0,0,1|3,0,0]=4 1273 B7R1.3 NC1=CC=CC=C1 MCULE-5410588853 [0,0,0,0,0,1|3,0,0]=4 1274 B7R1.3 NC1=CC=CC=C1 MCULE-6891341462 [0,0,0,0,0,1|3,0,0]=4 1275 B7R1.3 NC1=CC=CC=C1 MCULE-7591084894 [0,0,0,0,0,1|3,0,0]=4 1276 B7R1.3 NC1=CC=CC=C1 MCULE-7798499378 [0,0,0,0,0,1|3,0,0]=4 1277 B7R1.3 NC1=CC=CC=C1 MCULE-9347486445 [0,0,0,0,0,1|3,0,0]=4 1278 B7R1.3 NC1=CC=CC=N1 MCULE-9156610735 [0,0,0,0,0,1|3,0,0]=4 1279 B7R1.3 NC1=CC=CC=N1 MCULE-9468698491 [0,0,0,0,0,1|3,0,0]=4 1280 B7R1.3 NC1=CC=CN=N1 MCULE-8492925273 [0,0,0,0,0,1|3,0,0]=4 1281 B7R1.3 NC1=CC=NC=C1 MCULE-2670880008 [0,0,0,0,0,1|3,0,0]=4 1282 B7R1.3 NC1=CC=NC=C1 MCULE-6604546217 [0,0,0,0,0,1|3,0,0]=4 1283 B7R1.3 NC1=CC=NC=C1 MCULE-7188340873 [0,0,0,0,0,1|3,0,0]=4 1284 B7R1.3 NC1=CC=NC=N1 MCULE-8743879642 [0,0,0,0,0,1|3,0,0]=4 1285 B7R1.3 NC1=CC=NN=C1 MCULE-9705692486 [0,0,0,0,0,1|3,0,0]=4 1286 B7R1.3 NC1=CN=CC=C1 MCULE-8277888288 [0,0,0,0,0,1|3,0,0]=4 1287 B7R1.3 NC1=CN=CN=C1 MCULE-1163796720 [0,0,0,0,0,1|3,0,0]=4 1288 B7R1.3 NC1=CN=NC=C1 MCULE-2656148598 [0,0,0,0,0,1|3,0,0]=4 1289 B7R1.3 NC1=NC=CC=N1 MCULE-4785409568 [0,0,0,0,0,1|3,0,0]=4 1290 B7R1.3 NC1=NC=CN=C1 MCULE-3684429742 [0,0,0,0,0,1|3,0,0]=4 1291 B7R1.3 NC1=NC=CN=N1 MCULE-4381302094 [0,0,0,0,0,1|3,0,0]=4 1292 B7R1.3 NC1=NC=NC=C1 MCULE-7841058110 [0,0,0,0,0,1|3,0,0]=4 1293 B7R1.3 NC1=NN=CC=C1 MCULE-8558833820 [0,0,0,0,0,1|3,0,0]=4 1294 B7R1.3 O=C1C=CC=CO1 MCULE-1962369480 [0,0,0,0,0,1|1,0,0]=2 1295 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [0,0,0,0,0,1|2,0,0]=3 1296 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [0,0,0,0,0,1|2,0,0]=3 1297 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [0,0,0,0,0,1|1,0,0]=2 1298 B7R1.3 O=C1C=CCOC1 MCULE-4817981961 [0,0,0,0,0,1|1,0,0]=2 1299 B7R1.3 O=C1C=COC=C1 MCULE-4737810636 [0,0,0,0,0,1|1,0,0]=2 1300 B7R1.3 O=C1C=COCC1 MCULE-2954829305 [0,0,0,0,0,1|1,0,0]=2 1301 B7R1.3 O=C1C=COCN1 MCULE-7471476237 [0,0,0,0,0,1|1,0,0]=2 1302 B7R1.3 O=C1C=NC=CN1 MCULE-1637832118 [0,0,0,0,0,1|2,0,0]=3 1303 B7R1.3 O=C1CC=CCN1 MCULE-7370958955 [0,0,0,0,0,1|2,0,0]=3 1304 B7R1.3 O=C1CC=CN=N1 MCULE-5717852017 [0,0,0,0,0,1|2,0,0]=3 1305 B7R1.3 O=C1CC=COC1 MCULE-3434064170 [0,0,0,0,0,1|1,0,0]=2 1306 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [0,0,0,0,0,1|1,0,2]=4 1307 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [0,0,0,0,0,1|1,0,2]=4 1308 B7R1.3 O=C1CCOCC1 MCULE-6728095514 [0,0,0,0,0,1|1,0,2]=4 1309 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [0,0,0,0,0,1|1,0,2]=4 1310 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [0,0,0,0,0,1|1,0,2]=4 1311 B7R1.3 O=C1COCCN1 MCULE-8242898041 [0,0,0,0,0,1|1,0,2]=4 1312 B7R1.3 O=C1COCCO1 MCULE-5754504096 [0,0,0,0,0,1|1,0,2]=4 1313 B7R1.3 O=C1CSC=CN1 MCULE-7195428643 [0,0,0,0,0,1|1,1,0]=3 1314 B7R1.3 O=C1N=CC=CN1 MCULE-7966583838 [0,0,0,0,0,1|2,0,0]=3 1315 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [0,0,0,0,0,1|1,0,2]=4 1316 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [0,0,0,0,0,1|2,0,1]=4 1317 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [0,0,0,0,0,1|1,0,2]=4 1318 B7R1.3 OC1=CC=CC=C1 MCULE-9943948107 [0,0,0,0,0,1|2,0,1]=4 1319 B7R1.3 OC1=CC=NC=C1 MCULE-8174139341 [0,0,0,0,0,1|2,0,1]=4 1320 B7R1.3 OC1=CN=CC=C1 MCULE-3642491076 [0,0,0,0,0,1|2,0,1]=4 1321 B7R1.3 OC1=CN=CN=C1 MCULE-5696602281 [0,0,0,0,0,1|2,0,1]=4 1322 B7R1.3 OC1=CN=NC=C1 MCULE-1540029580 [0,0,0,0,0,1|2,0,1]=4 1323 B7R1.3 OC1=CN=NC=C1 MCULE-6611771561 [0,0,0,0,0,1|2,0,1]=4 1324 B7R1.3 OC1=CN=NC=C1 MCULE-7631421509 [0,0,0,0,0,1|2,0,1]=4 1325 B7R1.3 OC1=NC=CC=C1 MCULE-2999696825 [0,0,0,0,0,1|2,0,1]=4 1326 B7R1.3 OC1=NC=CC=C1 MCULE-3754843987 [0,0,0,0,0,1|2,0,1]=4 1327 B7R1.3 OC1=NC=CC=N1 MCULE-2271643092 [0,0,0,0,0,1|2,0,1]=4 1328 B7R1.3 OC1=NC=NC=C1 MCULE-3773308915 [0,0,0,0,0,1|2,0,1]=4 1329 B7R1.3 OC1=NN=CC=C1 MCULE-6627322308 [0,0,0,0,0,1|2,0,1]=4 1330 B7R1.3 OC1C=CCOC1 MCULE-7810293257 [0,0,0,0,0,1|1,0,2]=4 1331 B7R1.3 S=C1C=CNC=N1 MCULE-9568191260 [0,0,0,0,0,1|2,1,0]=4 1332 B7R1.3 S=C1C=CSC=C1 MCULE-7695867035 [0,0,0,0,0,1|1,2,0]=4 1333 B7R1.3 S=C1N=CC=CN1 MCULE-4888458372 [0,0,0,0,0,1|2,1,0]=4 1334 B7R1.3 SC1=CC=CC=C1 MCULE-4163310418 [0,0,0,0,0,1|2,1,0]=4 1335 B7R1.3 SC1=CC=CN=C1 MCULE-9525581887 [0,0,0,0,0,1|2,1,0]=4 1336 B7R1.3 SC1=CC=CN=N1 MCULE-9789831563 [0,0,0,0,0,1|2,1,0]=4 1337 B7R1.3 SC1=CC=NC=C1 MCULE-3831930136 [0,0,0,0,0,1|2,1,0]=4 1338 B7R1.3 SC1=CN=CN=C1 MCULE-5319976243 [0,0,0,0,0,1|2,1,0]=4 1339 B7R1.3 SC1=NC=CC=C1 MCULE-7596777399 [0,0,0,0,0,1|2,1,0]=4 1340 B7R1.3 SC1=NC=CC=N1 MCULE-9766241885 [0,0,0,0,0,1|2,1,0]=4 1341 B7R1.3 SC1=NC=CN=C1 MCULE-2765988284 [0,0,0,0,0,1|2,1,0]=4 1342 B7R1.3 [NH3+]C1=CC=CC=C1 MCULE-9905192822 [0,0,0,0,0,1|3,0,0]=4 1343 B7R1.3 [O-]C1=CC=CC=C1 MCULE-5246831405 [0,0,0,0,0,1|2,0,1]=4 1344 B7R1.3 [O-]C1=CC=CC=C1 MCULE-6247775078 [0,0,0,0,0,1|2,0,1]=4 1345 B7R1.3 [O-]C1=CC=CN=C1 MCULE-1560104113 [0,0,0,0,0,1|2,0,1]=4 1346 B7R1.3 [O-]C1=CN=CC=N1 MCULE-5873926499 [0,0,0,0,0,1|2,0,1]=4 1347 B7R1.3 [S-]C1=CC=CC=C1 MCULE-3321060651 [0,0,0,0,0,1|2,1,0]=4 1348 B7R1.3 [S-]C1=CC=CC=C1 MCULE-7291563321 [0,0,0,0,0,1|2,1,0]=4 1349 B4R0.1 C#CC(=O)O MCULE-8764256624 [1,0,1,0,0,0|0,0,2]=4 1350 B4R0.1 C=C(Br)CO MCULE-7763893047 [1,0,1,0,0,0|2,0,0]=4 1351 B4R0.1 C=C(C)CO MCULE-8641288398 [1,0,1,0,0,0|2,0,0]=4 1352 B4R0.1 C=C(C)OC MCULE-7344104255 [1,0,1,0,0,0|1,0,1]=4 1353 B4R0.1 C=C(Cl)CO MCULE-8813337564 [1,0,1,0,0,0|2,0,0]=4 1354 B4R0.1 C=C(F)CO MCULE-2779963696 [1,0,1,0,0,0|2,0,0]=4 1355 B4R0.1 C=C(I)CO MCULE-2533897125 [1,0,1,0,0,0|2,0,0]=4 1356 B4R0.1 C=CB(O)O MCULE-2531600001 [1,0,1,0,0,0|1,0,1]=4 1357 B4R0.1 C=CC(=C)C MCULE-1668999564 [1,0,1,0,0,0|2,0,0]=4 1358 B4R0.1 C=CC(=O)C MCULE-4924646293 [1,0,1,0,0,0|1,0,0]=3 1359 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [1,0,1,0,0,0|1,0,0]=3 1360 B4R0.1 C=CC(=O)N MCULE-4309430654 [1,0,1,0,0,0|1,0,0]=3 1361 B4R0.1 C=CC(=O)O MCULE-9352227082 [1,0,1,0,0,0|0,0,0]=2 1362 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [1,0,1,0,0,0|0,0,1]=3 1363 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [1,0,1,0,0,0|0,0,1]=3 1364 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [1,0,1,0,0,0|0,0,1]=3 1365 B4R0.1 C=CC(C)O MCULE-4525368256 [1,0,1,0,0,0|1,0,1]=4 1366 B4R0.1 C=CN(=O)=O MCULE-1988475489 [1,0,1,0,0,0|1,0,1]=4 1367 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [1,0,1,0,0,0|1,0,1]=4 1368 B4R0.1 CC(=O)C=O MCULE-2718961814 [1,0,1,0,0,0|1,0,1]=4 1369 B4R0.1 CC(=O)CO MCULE-2989526028 [1,0,1,0,0,0|1,0,1]=4 1370 B4R0.1 CC(=O)NO MCULE-2682231025 [1,0,1,0,0,0|1,0,1]=4 1371 B4R0.1 CC(=O)OO MCULE-6028338742 [1,0,1,0,0,0|0,0,1]=3 1372 B4R0.1 CCC(=O)O MCULE-2199051150 [1,0,1,0,0,0|0,0,2]=4 1373 B4R0.1 CCC(=O)O MCULE-9800054040 [1,0,1,0,0,0|0,0,2]=4 1374 B4R0.1 COC(=O)C MCULE-7368066093 [1,0,1,0,0,0|0,0,2]=4 1375 B4R0.1 COC(=O)Cl MCULE-8022274771 [1,0,1,0,0,0|1,0,1]=4 1376 B4R0.1 COC(=O)N MCULE-4070607369 [1,0,1,0,0,0|1,0,1]=4 1377 B4R0.1 NC(=O)CO MCULE-2739878376 [1,0,1,0,0,0|1,0,1]=4 1378 B4R0.1 NC(=O)NO MCULE-9465284053 [1,0,1,0,0,0|2,0,0]=4 1379 B4R0.1 NCC(=O)O MCULE-2415764032 [1,0,1,0,0,0|1,0,1]=4 1380 B4R0.1 NCC(=O)O MCULE-3643110755 [1,0,1,0,0,0|1,0,1]=4 1381 B4R0.1 NCC(=O)O MCULE-4349255299 [1,0,1,0,0,0|1,0,1]=4 1382 B4R0.1 NCC(=O)O MCULE-9146223615 [1,0,1,0,0,0|1,0,1]=4 1383 B4R0.1 NCC(=O)O MCULE-9701991737 [1,0,1,0,0,0|1,0,1]=4 1384 B4R0.1 O=C(O)CBr MCULE-1503716137 [1,0,1,0,0,0|1,0,1]=4 1385 B4R0.1 O=C(O)CCl MCULE-9228754880 [1,0,1,0,0,0|1,0,1]=4 1386 B4R0.1 O=C(O)CF MCULE-6584094437 [1,0,1,0,0,0|1,0,1]=4 1387 B4R0.1 O=C(O)CI MCULE-3146792857 [1,0,1,0,0,0|1,0,1]=4 1388 B4R0.1 O=C(O)CO MCULE-9792551388 [1,0,1,0,0,0|0,0,1]=3 1389 B4R0.1 O=C(O)CS MCULE-8097997001 [1,0,1,0,0,0|0,1,1]=4 1390 B4R0.1 O=C([O-])CO MCULE-2780567509 [1,0,1,0,0,0|0,0,2]=4 1391 B4R0.1 O=CC(=O)O MCULE-5307898766 [1,0,1,0,0,0|0,0,1]=3 1392 B4R0.1 O=S(O)CO MCULE-4195832185 [1,0,1,0,0,0|1,0,1]=4 1393 B4R0.2 C/C=C/C=O MCULE-9924705308 [1,0,1,0,0,0|1,0,0]=3 1394 B4R0.2 C/C=C/CO MCULE-2383161163 [1,0,1,0,0,0|1,0,1]=4 1395 B4R0.2 C/C=C/OC MCULE-3906920304 [1,0,1,0,0,0|1,0,1]=4 1396 B4R0.2 C/C=C\CO MCULE-5924662327 [1,0,1,0,0,0|1,0,1]=4 1397 B4R0.2 C=C=CCO MCULE-5424851896 [1,0,1,0,0,0|1,0,1]=4 1398 B4R0.2 C=CC=CC MCULE-4452516287 [1,0,1,0,0,0|2,0,0]=4 1399 B4R0.2 C=CCCO MCULE-4582400839 [1,0,1,0,0,0|1,0,1]=4 1400 B4R0.2 C=CCOC MCULE-3321225771 [1,0,1,0,0,0|1,0,1]=4 1401 B4R0.2 C=CCON MCULE-2094787759 [1,0,1,0,0,0|1,0,1]=4 1402 B4R0.2 C=CCON MCULE-6222602533 [1,0,1,0,0,0|1,0,1]=4 1403 B4R0.2 C=CNC=O MCULE-8403928899 [1,0,1,0,0,0|1,0,0]=3 1404 B4R0.2 C=COCC MCULE-2569047033 [1,0,1,0,0,0|1,0,1]=4 1405 B4R0.2 C=C[Te]C=C MCULE-9095868234 [1,0,1,0,0,0|1,1,0]=4 1406 B4R0.2 CC=CC=O MCULE-2497362981 [1,0,1,0,0,0|1,0,0]=3 1407 B4R0.2 CC=CCO MCULE-7490725844 [1,0,1,0,0,0|1,0,1]=4 1408 B4R0.2 CC=COC MCULE-6712403535 [1,0,1,0,0,0|1,0,1]=4 1409 B4R0.2 CCOC=O MCULE-6245072161 [1,0,1,0,0,0|0,0,2]=4 1410 B4R0.2 COCC=O MCULE-9427361019 [1,0,1,0,0,0|1,0,1]=4 1411 B4R0.2 N/C=C/C=O MCULE-2444951625 [1,0,1,0,0,0|1,0,0]=3 1412 B4R0.2 NC=CC=O MCULE-4070918342 [1,0,1,0,0,0|1,0,0]=3 1413 B4R0.2 O=CCCO MCULE-1685289763 [1,0,1,0,0,0|0,0,2]=4 1414 B4R0.2 O=CNC=O MCULE-3098379420 [1,0,1,0,0,0|1,0,1]=4 1415 B4R0.2 O=COC=O MCULE-6311384332 [1,0,1,0,0,0|1,0,0]=3 1416 B4R0.2 O=C[N-]C=O MCULE-4923470284 [1,0,1,0,0,0|1,0,1]=4 1417 B4R0.2 OC=CCCl MCULE-4750991393 [1,0,1,0,0,0|1,0,1]=4 1418 B4R0.2 OCC=CBr MCULE-4636104289 [1,0,1,0,0,0|1,0,1]=4 1419 B4R0.2 OCC=CCl MCULE-2110127594 [1,0,1,0,0,0|1,0,1]=4 1420 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [0,1,1,0,0,0|2,0,0]=4 1421 B6R0.1 C/C(=N\O)/C=N/O MCULE-3049929204 [0,1,1,0,0,0|2,0,0]=4 1422 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [0,1,1,0,0,0|1,0,0]=3 1423 B6R0.1 C=C=CC(=O)OC MCULE-7885631451 [0,1,1,0,0,0|1,0,1]=4 1424 B6R0.1 C=CC(=O)COC MCULE-1933195578 [0,1,1,0,0,0|1,0,1]=4 1425 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [0,1,1,0,0,0|1,0,1]=4 1426 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [0,1,1,0,0,0|1,0,1]=4 1427 B6R0.1 C=COC(=O)CC MCULE-7662621547 [0,1,1,0,0,0|1,0,1]=4 1428 B6R0.1 C=COC(=O)CCl MCULE-7675766105 [0,1,1,0,0,0|1,0,1]=4 1429 B6R0.1 CC(=NO)C=NO MCULE-9711224051 [0,1,1,0,0,0|2,0,0]=4 1430 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [0,1,1,0,0,0|2,0,0]=4 1431 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [0,1,1,0,0,0|1,0,0]=3 1432 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [0,1,1,0,0,0|1,0,1]=4 1433 B6R0.1 COC(=O)/C=C/Br MCULE-8282646495 [0,1,1,0,0,0|1,0,0]=3 1434 B6R0.1 COC(=O)/C=C/I MCULE-2652779390 [0,1,1,0,0,0|1,0,0]=3 1435 B6R0.1 COC(=O)/C=C\Br MCULE-8147758029 [0,1,1,0,0,0|1,0,0]=3 1436 B6R0.1 COC(=O)/C=C\I MCULE-9091408550 [0,1,1,0,0,0|1,0,0]=3 1437 B6R0.1 COC(=O)C=CBr MCULE-6878439912 [0,1,1,0,0,0|1,0,0]=3 1438 B6R0.1 COC(=O)C=CCl MCULE-6895925134 [0,1,1,0,0,0|1,0,0]=3 1439 B6R0.1 COC(=O)C=CI MCULE-1616048599 [0,1,1,0,0,0|1,0,0]=3 1440 B6R0.1 COC(=O)C=CN MCULE-4685220707 [0,1,1,0,0,0|1,0,0]=3 1441 B6R0.1 COC(=O)CC=O MCULE-6624474559 [0,1,1,0,0,0|0,0,2]=4 1442 B6R0.1 COC(=O)CCO MCULE-8538834260 [0,1,1,0,0,0|0,0,2]=4 1443 B6R0.1 COC(=O)NC=O MCULE-9852632340 [0,1,1,0,0,0|1,0,1]=4 1444 B6R0.1 O=C(C=CCl)CCl MCULE-6121304267 [0,1,1,0,0,0|2,0,0]=4 1445 B6R0.1 ON=CC(=NO)Cl MCULE-8939091308 [0,1,1,0,0,0|2,0,0]=4 1446 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,1,1,0,0,0|1,0,1]=4 1447 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,1,1,0,0,0|1,0,1]=4 1448 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,1,1,0,0,0|1,0,1]=4 1449 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [0,1,1,0,0,0|2,0,0]=4 1450 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,1,1,0,0,0|2,0,0]=4 1451 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,1,1,0,0,0|1,0,0]=3 1452 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,1,1,0,0,0|1,0,0]=3 1453 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,1,1,0,0,0|1,0,0]=3 1454 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,1,1,0,0,0|1,0,0]=3 1455 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,1,1,0,0,0|2,0,0]=4 1456 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,1,1,0,0,0|1,0,1]=4 1457 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,1,1,0,0,0|1,0,1]=4 1458 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,1,1,0,0,0|2,0,0]=4 1459 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,1,1,0,0,0|2,0,0]=4 1460 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,1,1,0,0,0|2,0,0]=4 1461 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,1,1,0,0,0|1,0,0]=3 1462 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,1,1,0,0,0|1,0,1]=4 1463 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,1,1,0,0,0|0,0,2]=4 1464 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,1,1,0,0,0|0,0,2]=4 1465 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,1,1,0,0,0|0,0,2]=4 1466 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,1,1,0,0,0|0,0,2]=4 1467 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,1,1,0,0,0|0,0,2]=4 1468 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,1,1,0,0,0|0,0,2]=4 1469 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,1,1,0,0,0|0,0,2]=4 1470 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,1,1,0,0,0|0,0,2]=4 1471 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,1,1,0,0,0|1,0,0]=3 1472 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,1,1,0,0,0|1,0,0]=3 1473 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,1,1,0,0,0|1,0,1]=4 1474 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,1,1,0,0,0|0,0,1]=3 1475 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [0,1,1,0,0,0|1,0,0]=3 1476 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [0,1,1,0,0,0|1,0,0]=3 1477 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [0,1,1,0,0,0|1,0,0]=3 1478 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,1,1,0,0,0|1,0,0]=3 1479 B6R0.3 C=C(C#N)C(=O)O MCULE-1746285232 [0,1,1,0,0,0|1,0,1]=4 1480 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,1,1,0,0,0|1,0,1]=4 1481 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,1,1,0,0,0|1,0,1]=4 1482 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,1,1,0,0,0|0,0,1]=3 1483 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [0,1,1,0,0,0|2,0,0]=4 1484 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [0,1,1,0,0,0|1,0,0]=3 1485 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,1,1,0,0,0|1,0,1]=4 1486 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,1,1,0,0,0|1,0,1]=4 1487 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,1,1,0,0,0|1,0,1]=4 1488 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,1,1,0,0,0|1,0,1]=4 1489 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,1,1,0,0,0|1,0,1]=4 1490 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,1,1,0,0,0|1,0,1]=4 1491 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,1,1,0,0,0|1,0,1]=4 1492 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,1,1,0,0,0|1,0,1]=4 1493 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,1,1,0,0,0|1,0,1]=4 1494 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,1,1,0,0,0|1,0,1]=4 1495 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,1,1,0,0,0|1,0,1]=4 1496 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,1,1,0,0,0|1,0,1]=4 1497 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,1,1,0,0,0|1,0,1]=4 1498 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,1,1,0,0,0|1,0,1]=4 1499 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,1,1,0,0,0|1,0,1]=4 1500 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,1,1,0,0,0|1,0,1]=4 1501 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,1,1,0,0,0|1,0,1]=4 1502 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [0,1,1,0,0,0|1,0,0]=3 1503 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [0,1,1,0,0,0|1,0,0]=3 1504 B6R0.3 CC(=O)/C(=N/O)/C MCULE-2017881701 [0,1,1,0,0,0|2,0,0]=4 1505 B6R0.3 CC(=O)/C(=N\O)/C MCULE-6814264333 [0,1,1,0,0,0|2,0,0]=4 1506 B6R0.3 CC(=O)C(=NO)C MCULE-3626428375 [0,1,1,0,0,0|2,0,0]=4 1507 B6R0.3 CC(=O)C(=NO)Cl MCULE-9930401042 [0,1,1,0,0,0|2,0,0]=4 1508 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,1,1,0,0,0|0,0,2]=4 1509 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [0,1,1,0,0,0|1,0,0]=3 1510 B6R0.3 CC=C(C)C(=O)C MCULE-8950290711 [0,1,1,0,0,0|2,0,0]=4 1511 B6R0.3 CC=C(C)C(=O)Cl MCULE-2974704783 [0,1,1,0,0,0|2,0,0]=4 1512 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [0,1,1,0,0,0|1,0,0]=3 1513 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [0,1,1,0,0,0|1,0,0]=3 1514 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [0,1,1,0,0,0|1,0,0]=3 1515 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,1,1,0,0,0|1,0,0]=3 1516 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,1,1,0,0,0|1,0,1]=4 1517 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,1,1,0,0,0|2,0,0]=4 1518 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [0,1,1,0,0,0|2,0,0]=4 1519 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,1,1,0,0,0|0,0,2]=4 1520 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,1,1,0,0,0|0,0,2]=4 1521 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,1,1,0,0,0|0,0,2]=4 1522 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,1,1,0,0,0|0,0,2]=4 1523 B6R0.3 NC(=O)/C(=N/O)/N MCULE-6909019905 [0,1,1,0,0,0|2,0,0]=4 1524 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,1,1,0,0,0|0,0,2]=4 1525 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,1,1,0,0,0|0,0,2]=4 1526 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,1,1,0,0,0|0,0,2]=4 1527 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,1,1,0,0,0|0,0,2]=4 1528 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,1,1,0,0,0|0,0,2]=4 1529 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,1,1,0,0,0|0,0,2]=4 1530 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,1,1,0,0,0|0,0,2]=4 1531 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,1,1,0,0,0|0,0,2]=4 1532 B6R0.3 O=C(Cl)/C(=C/Cl)/Cl MCULE-1765210878 [0,1,1,0,0,0|2,0,0]=4 1533 B6R0.3 O=C(O)/C(=C/Cl)/Cl MCULE-4317518344 [0,1,1,0,0,0|1,0,0]=3 1534 B6R0.3 O=C(O)C(=CCl)Cl MCULE-2693859334 [0,1,1,0,0,0|1,0,0]=3 1535 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,1,1,0,0,0|1,0,1]=4 1536 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,1,1,0,0,0|1,0,1]=4 1537 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,1,1,0,0,0|1,0,1]=4 1538 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,1,1,0,0,0|0,0,1]=3 1539 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,1,1,0,0,0|0,1,1]=4 1540 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,1,1,0,0,0|0,0,2]=4 1541 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,1,1,0,0,0|0,0,2]=4 1542 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,1,1,0,0,0|0,0,2]=4 1543 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,1,1,0,0,0|0,0,2]=4 1544 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,1,1,0,0,0|0,0,2]=4 1545 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,1,1,0,0,0|0,0,2]=4 1546 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,1,1,0,0,0|0,0,2]=4 1547 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,1,1,0,0,0|0,0,2]=4 1548 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,1,1,0,0,0|0,0,2]=4 1549 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,1,1,0,0,0|1,0,1]=4 1550 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [0,1,1,0,0,0|2,0,0]=4 1551 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [0,1,1,0,0,0|2,0,0]=4 1552 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [0,1,1,0,0,0|1,0,0]=3 1553 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [0,1,1,0,0,0|1,0,0]=3 1554 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [0,1,1,0,0,0|1,0,1]=4 1555 B6R0.4 C=CC=CC(=O)Cl MCULE-6383997047 [0,1,1,0,0,0|2,0,0]=4 1556 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [0,1,1,0,0,0|1,0,0]=3 1557 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [0,1,1,0,0,0|1,0,1]=4 1558 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [0,1,1,0,0,0|1,0,1]=4 1559 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [0,1,1,0,0,0|2,0,0]=4 1560 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [0,1,1,0,0,0|2,0,0]=4 1561 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [0,1,1,0,0,0|1,0,1]=4 1562 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [0,1,1,0,0,0|2,0,0]=4 1563 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [0,1,1,0,0,0|1,0,0]=3 1564 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [0,1,1,0,0,0|1,0,0]=3 1565 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [0,1,1,0,0,0|2,0,0]=4 1566 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [0,1,1,0,0,0|2,0,0]=4 1567 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [0,1,1,0,0,0|1,0,0]=3 1568 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [0,1,1,0,0,0|1,0,0]=3 1569 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [0,1,1,0,0,0|0,0,0]=2 1570 B6R0.4 COC=CC(=O)C MCULE-4868833764 [0,1,1,0,0,0|1,0,0]=3 1571 B6R0.4 COC=CC(=O)Cl MCULE-4966577139 [0,1,1,0,0,0|1,0,0]=3 1572 B6R0.4 COC=CC(=O)O MCULE-4252899122 [0,1,1,0,0,0|0,0,0]=2 1573 B6R0.4 COCCC(=O)O MCULE-3436347115 [0,1,1,0,0,0|0,0,2]=4 1574 B6R0.4 COCOC(=O)C MCULE-8876091916 [0,1,1,0,0,0|0,0,2]=4 1575 B6R0.4 CON=CC(=O)O MCULE-6800819509 [0,1,1,0,0,0|1,0,0]=3 1576 B6R0.4 N#CC=CC(=O)O MCULE-9790502930 [0,1,1,0,0,0|1,0,0]=3 1577 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [0,1,1,0,0,0|1,0,0]=3 1578 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [0,1,1,0,0,0|1,0,0]=3 1579 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [0,1,1,0,0,0|1,0,0]=3 1580 B6R0.4 NOCCC(=O)O MCULE-1529492904 [0,1,1,0,0,0|0,0,2]=4 1581 B6R0.4 NOCCC(=O)O MCULE-6297331357 [0,1,1,0,0,0|0,0,2]=4 1582 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [0,1,1,0,0,0|1,0,0]=3 1583 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [0,1,1,0,0,0|1,0,0]=3 1584 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [0,1,1,0,0,0|0,0,0]=2 1585 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [0,1,1,0,0,0|0,0,2]=4 1586 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [0,1,1,0,0,0|1,0,0]=3 1587 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [0,1,1,0,0,0|1,0,0]=3 1588 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [0,1,1,0,0,0|0,0,0]=2 1589 B6R0.4 O=C(O)CNCO MCULE-4092998319 [0,1,1,0,0,0|0,0,2]=4 1590 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [0,1,1,0,0,0|0,0,2]=4 1591 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [0,1,1,0,0,0|0,0,2]=4 1592 B6R0.5 C/C=C\P(=O)(O)O MCULE-8382984782 [0,1,1,0,0,0|2,0,0]=4 1593 B6R0.5 CC=CP(=O)(O)O MCULE-3593796042 [0,1,1,0,0,0|2,0,0]=4 1594 B6R0.6 C/C=C/C=C/C=O MCULE-9837225903 [0,1,1,0,0,0|2,0,0]=4 1595 B6R0.6 C/C=C/C=C/CO MCULE-3717958585 [0,1,1,0,0,0|2,0,0]=4 1596 B6R0.6 C=CC=CCCO MCULE-5956097722 [0,1,1,0,0,0|2,0,0]=4 1597 B6R0.6 C=CCCCC=O MCULE-8676840281 [0,1,1,0,0,0|2,0,0]=4 1598 B6R0.6 C=CCOCC=C MCULE-1121686176 [0,1,1,0,0,0|2,0,0]=4 1599 B6R0.6 C=CCOCC=O MCULE-8507800253 [0,1,1,0,0,0|1,0,0]=3 1600 B6R0.6 CC/C=C\CC=O MCULE-1715953159 [0,1,1,0,0,0|2,0,0]=4 1601 B6R0.6 CC=CC=CC=O MCULE-7370101773 [0,1,1,0,0,0|2,0,0]=4 1602 B6R0.6 CC=CC=CCO MCULE-1802738822 [0,1,1,0,0,0|2,0,0]=4 1603 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [0,1,1,0,0,0|2,0,0]=4 1604 B6R0.6 CCC=CCC=O MCULE-5764198290 [0,1,1,0,0,0|2,0,0]=4 1605 B6R0.6 CCCC=CC=O MCULE-5273169296 [0,1,1,0,0,0|2,0,0]=4 1606 B6R0.6 O=CC=CC=C[O-] MCULE-1735082795 [0,1,1,0,0,0|1,0,1]=4 1607 B6R0.6 O=CC=CC=C[O-] MCULE-1943976542 [0,1,1,0,0,0|1,0,1]=4 1608 B6R1.4 CC1COC1=O MCULE-9711165188 [0,1,0,0,1,0|0,0,2]=4 1609 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,1,0,0,1,0|1,0,1]=4 1610 B6R1.4 NC1COC1=O MCULE-6998565452 [0,1,0,0,1,0|0,0,2]=4 1611 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,1,0,0,1,0|0,0,2]=4 1612 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,1,0,0,1,0|0,0,2]=4 1613 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,1,0,0,1,0|0,0,2]=4 1614 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,1,0,0,1,0|0,0,2]=4 1615 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [0,1,0,0,1,0|0,0,1]=3 1616 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [0,1,0,0,1,0|0,0,2]=4 1617 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [0,1,0,0,1,0|0,0,2]=4 1618 B6R1.10 O=S1(=O)C=CC1 MCULE-7285340589 [0,1,0,0,1,0|2,0,0]=4 1619 B8R1.2 O=CC1=CC=CC=C1 MCULE-7744113682 [0,1,0,0,0,1|2,0,0]=4 1620 B8R1.2 O=CC1=CC=CC=N1 MCULE-4937131604 [0,1,0,0,0,1|2,0,0]=4 1621 B8R1.2 O=CC1=CC=CN=C1 MCULE-3309731741 [0,1,0,0,0,1|2,0,0]=4 1622 B8R1.2 O=CC1=CC=CN=N1 MCULE-4854117500 [0,1,0,0,0,1|2,0,0]=4 1623 B8R1.2 O=CC1=CC=NC=C1 MCULE-5970042944 [0,1,0,0,0,1|2,0,0]=4 1624 B8R1.2 O=CC1=CCCOC1 MCULE-5495935874 [0,1,0,0,0,1|1,0,1]=4 1625 B8R1.2 O=CC1=CN=CN=C1 MCULE-7356621974 [0,1,0,0,0,1|2,0,0]=4 1626 B8R1.2 O=CC1=CN=NC=C1 MCULE-1523327227 [0,1,0,0,0,1|2,0,0]=4 1627 B8R1.2 O=CC1=COCCO1 MCULE-4502742368 [0,1,0,0,0,1|1,0,1]=4 1628 B8R1.2 O=CC1=NC=CC=N1 MCULE-8219379254 [0,1,0,0,0,1|2,0,0]=4 1629 B8R1.2 O=CC1=NC=CN=C1 MCULE-6505422257 [0,1,0,0,0,1|2,0,0]=4 1630 B8R1.2 O=CC1=NC=CN=N1 MCULE-7239711976 [0,1,0,0,0,1|2,0,0]=4 1631 B8R1.2 O=CC1=NC=NC=C1 MCULE-2340151808 [0,1,0,0,0,1|2,0,0]=4 1632 B8R1.2 O=CN1C=COCC1 MCULE-2988916890 [0,1,0,0,0,1|2,0,0]=4 1633 B8R1.2 O=NC1=CC=CC=C1 MCULE-1238676706 [0,1,0,0,0,1|2,0,0]=4 1634 B8R1.2 O=NC1=NC=CC=C1 MCULE-1124153701 [0,1,0,0,0,1|2,0,0]=4 1635 B8R1.2 O=[As]C1=CC=CC=C1 MCULE-7322278015 [0,1,0,0,0,1|2,0,0]=4 1636 B8R1.2 O=[IH2]C1=CC=CC=C1 MCULE-1680338934 [0,1,0,0,0,1|2,0,0]=4 1637 B8R1.3 CC1=CCC(=O)CC1 MCULE-5396065385 [0,1,0,0,0,1|2,0,0]=4 1638 B8R1.3 CC1=CNC(=O)C=N1 MCULE-2679502239 [0,1,0,0,0,1|2,0,0]=4 1639 B8R1.3 CC1=NNC(=O)C=C1 MCULE-2635221520 [0,1,0,0,0,1|2,0,0]=4 1640 B8R1.3 CC1C=CC(=O)CC1 MCULE-6972928704 [0,1,0,0,0,1|2,0,0]=4 1641 B8R1.3 NC1=CNC(=O)N=C1 MCULE-2442673142 [0,1,0,0,0,1|2,0,0]=4 1642 B8R1.3 O=C1C=CC(=CN1)Br MCULE-5174732595 [0,1,0,0,0,1|2,0,0]=4 1643 B8R1.3 O=C1C=CC(=CO1)Br MCULE-6339514817 [0,1,0,0,0,1|1,0,0]=3 1644 B8R1.3 O=C1C=CC(=NN1)Cl MCULE-9091661850 [0,1,0,0,0,1|2,0,0]=4 1645 B8R1.3 O=C1C=CC(=NN1)F MCULE-8050086590 [0,1,0,0,0,1|2,0,0]=4 1646 B8R1.3 O=C1C=CC(=O)C=C1 MCULE-2576853438 [0,1,0,0,0,1|2,0,0]=4 1647 B8R1.3 O=C1C=CC(=O)N=N1 MCULE-5664955304 [0,1,0,0,0,1|2,0,0]=4 1648 B8R1.3 O=C1C=CC(=O)NN1 MCULE-5100178532 [0,1,0,0,0,1|2,0,0]=4 1649 B8R1.3 O=C1C=CC(OC1)O MCULE-1206409270 [0,1,0,0,0,1|1,0,0]=3 1650 B8R1.3 O=C1C=CN(C=C1)O MCULE-2975189217 [0,1,0,0,0,1|2,0,0]=4 1651 B8R1.3 O=C1C=NC(=CN1)F MCULE-6846208345 [0,1,0,0,0,1|2,0,0]=4 1652 B8R1.3 O=C1C=NC(=CN1)I MCULE-6198334100 [0,1,0,0,0,1|2,0,0]=4 1653 B8R1.3 O=C1CC=C(C=N1)Br MCULE-7996644847 [0,1,0,0,0,1|2,0,0]=4 1654 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,1,0,0,0,1|1,0,1]=4 1655 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,1,0,0,0,1|1,0,1]=4 1656 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,1,0,0,0,1|1,0,1]=4 1657 B8R1.3 O=C1N=CC(=CN1)Br MCULE-9370622613 [0,1,0,0,0,1|2,0,0]=4 1658 B8R1.3 O=C1N=CC(=CN1)F MCULE-6016921664 [0,1,0,0,0,1|2,0,0]=4 1659 B8R1.3 O=C1N=CC(=CN1)O MCULE-9708220927 [0,1,0,0,0,1|2,0,0]=4 1660 B8R1.4 CC1=CC(=O)C=CO1 MCULE-4709385267 [0,1,0,0,0,1|1,0,0]=3 1661 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [0,1,0,0,0,1|2,0,0]=4 1662 B8R1.4 CC1=CC(=O)NC=N1 MCULE-4546584000 [0,1,0,0,0,1|2,0,0]=4 1663 B8R1.4 CC1=CC(=O)NN=C1 MCULE-4739919200 [0,1,0,0,0,1|2,0,0]=4 1664 B8R1.4 CC1=CC(=O)NON1 MCULE-9289039883 [0,1,0,0,0,1|1,0,0]=3 1665 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [0,1,0,0,0,1|1,0,0]=3 1666 B8R1.4 CC1=CC=CC(=O)N1 MCULE-2763977381 [0,1,0,0,0,1|2,0,0]=4 1667 B8R1.4 CC1=CC=NC(=O)C1 MCULE-4882777367 [0,1,0,0,0,1|2,0,0]=4 1668 B8R1.4 CC1=CC=NC(=O)N1 MCULE-6541642341 [0,1,0,0,0,1|2,0,0]=4 1669 B8R1.4 CC1=CCCC(=O)C1 MCULE-8078773996 [0,1,0,0,0,1|2,0,0]=4 1670 B8R1.4 CC1=CCCC(=O)O1 MCULE-1590433845 [0,1,0,0,0,1|1,0,1]=4 1671 B8R1.4 CC1=CN=NC(=O)C1 MCULE-7693429104 [0,1,0,0,0,1|2,0,0]=4 1672 B8R1.4 CC1=NC(=O)C=CN1 MCULE-5044952802 [0,1,0,0,0,1|2,0,0]=4 1673 B8R1.4 CC1=NC(=O)NC=C1 MCULE-2973571138 [0,1,0,0,0,1|2,0,0]=4 1674 B8R1.4 CC1CC=CC(=O)O1 MCULE-3191839185 [0,1,0,0,0,1|1,0,0]=3 1675 B8R1.4 NC1=CC(=O)CCC1 MCULE-3362548403 [0,1,0,0,0,1|2,0,0]=4 1676 B8R1.4 NC1=CC(=O)COC1 MCULE-7765608843 [0,1,0,0,0,1|1,0,0]=3 1677 B8R1.4 NC1=CC(=O)NN=C1 MCULE-1959597477 [0,1,0,0,0,1|2,0,0]=4 1678 B8R1.4 NC1=CN=CC(=O)N1 MCULE-3785264411 [0,1,0,0,0,1|2,0,0]=4 1679 B8R1.4 NC1=NC(=O)NC=C1 MCULE-4426252594 [0,1,0,0,0,1|2,0,0]=4 1680 B8R1.4 NC1=NC(=O)NC=C1 MCULE-5444602171 [0,1,0,0,0,1|2,0,0]=4 1681 B8R1.4 NC1=NC(=O)NN=C1 MCULE-5047415100 [0,1,0,0,0,1|2,0,0]=4 1682 B8R1.4 NC1=NC=CC(=O)N1 MCULE-7474139826 [0,1,0,0,0,1|2,0,0]=4 1683 B8R1.4 O=C1C=C(C=CN1)F MCULE-3668200526 [0,1,0,0,0,1|2,0,0]=4 1684 B8R1.4 O=C1C=C(C=CN1)I MCULE-3087331274 [0,1,0,0,0,1|2,0,0]=4 1685 B8R1.4 O=C1C=C(C=CO1)Br MCULE-4630205017 [0,1,0,0,0,1|1,0,0]=3 1686 B8R1.4 O=C1C=C(C=CO1)Cl MCULE-6319657516 [0,1,0,0,0,1|1,0,0]=3 1687 B8R1.4 O=C1C=C(C=NN1)Cl MCULE-3362096457 [0,1,0,0,0,1|2,0,0]=4 1688 B8R1.4 O=C1C=C(C=NN1)I MCULE-4212498492 [0,1,0,0,0,1|2,0,0]=4 1689 B8R1.4 O=C1C=C(CCC1)Br MCULE-3733885681 [0,1,0,0,0,1|2,0,0]=4 1690 B8R1.4 O=C1C=C(CCC1)Cl MCULE-9612484193 [0,1,0,0,0,1|2,0,0]=4 1691 B8R1.4 O=C1C=C(CCC1)I MCULE-4085762002 [0,1,0,0,0,1|2,0,0]=4 1692 B8R1.4 O=C1C=C(CCC1)O MCULE-5615245957 [0,1,0,0,0,1|2,0,0]=4 1693 B8R1.4 O=C1C=C(CCN1)Br MCULE-5356952780 [0,1,0,0,0,1|2,0,0]=4 1694 B8R1.4 O=C1C=C(COC1)O MCULE-2385941614 [0,1,0,0,0,1|1,0,0]=3 1695 B8R1.4 O=C1C=C(N=CC1)Cl MCULE-8901399182 [0,1,0,0,0,1|2,0,0]=4 1696 B8R1.4 O=C1C=C(NC=N1)Br MCULE-2673426547 [0,1,0,0,0,1|2,0,0]=4 1697 B8R1.4 O=C1C=CC=C(N1)Cl MCULE-5990074384 [0,1,0,0,0,1|2,0,0]=4 1698 B8R1.4 O=C1C=CC=C(N1)I MCULE-7962501587 [0,1,0,0,0,1|2,0,0]=4 1699 B8R1.4 O=C1C=CNC(=O)C1 MCULE-7422070219 [0,1,0,0,0,1|2,0,0]=4 1700 B8R1.4 O=C1C=CNC(=O)O1 MCULE-3791093466 [0,1,0,0,0,1|1,0,0]=3 1701 B8R1.4 O=C1C=CNC(=[Se])N1 MCULE-7954757005 [0,1,0,0,0,1|2,0,0]=4 1702 B8R1.4 O=C1C=COC(=O)C1 MCULE-9289887221 [0,1,0,0,0,1|1,0,0]=3 1703 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,1,0,0,0,1|1,0,1]=4 1704 B8R1.4 O=C1COCC(=O)C1 MCULE-1763175933 [0,1,0,0,0,1|1,0,1]=4 1705 B8R1.4 O=C1COCC(=O)N1 MCULE-2640203723 [0,1,0,0,0,1|1,0,1]=4 1706 B8R1.4 O=C1COCC(=O)O1 MCULE-7640970930 [0,1,0,0,0,1|1,0,1]=4 1707 B8R1.4 O=C1N=C(C=CN1)Cl MCULE-6239849546 [0,1,0,0,0,1|2,0,0]=4 1708 B8R1.4 O=C1NN=CC(=S)N1 MCULE-8520073366 [0,1,0,0,0,1|2,0,0]=4 1709 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-6235987509 [0,1,0,0,0,1|1,0,1]=4 1710 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-9016019550 [0,1,0,0,0,1|1,0,1]=4 1711 B8R1.5 CC1=CC=CNC1=O MCULE-8735614074 [0,1,0,0,0,1|2,0,0]=4 1712 B8R1.5 CC1=CC=NNC1=O MCULE-4615705346 [0,1,0,0,0,1|2,0,0]=4 1713 B8R1.5 CC1=CCCCC1=O MCULE-6245248136 [0,1,0,0,0,1|2,0,0]=4 1714 B8R1.5 CC1=NC=CNC1=O MCULE-8764563866 [0,1,0,0,0,1|2,0,0]=4 1715 B8R1.5 CN1C=CC=CC1=O MCULE-8858407794 [0,1,0,0,0,1|2,0,0]=4 1716 B8R1.5 CN1C=CC=NC1=O MCULE-8455265922 [0,1,0,0,0,1|2,0,0]=4 1717 B8R1.5 CN1C=NC=CC1=O MCULE-8061844419 [0,1,0,0,0,1|2,0,0]=4 1718 B8R1.5 NC1=CC=CNC1=O MCULE-2705834056 [0,1,0,0,0,1|2,0,0]=4 1719 B8R1.5 NC1=CC=NNC1=O MCULE-8399809124 [0,1,0,0,0,1|2,0,0]=4 1720 B8R1.5 NC1=CN=CNC1=O MCULE-3512580009 [0,1,0,0,0,1|2,0,0]=4 1721 B8R1.5 NC1=CNC=NC1=O MCULE-8037468633 [0,1,0,0,0,1|2,0,0]=4 1722 B8R1.5 NC1=NC=CNC1=O MCULE-6254794637 [0,1,0,0,0,1|2,0,0]=4 1723 B8R1.5 NC1N=CC=NC1=O MCULE-9363193392 [0,1,0,0,0,1|2,0,0]=4 1724 B8R1.5 NN1C=CC=CC1=O MCULE-6844638196 [0,1,0,0,0,1|2,0,0]=4 1725 B8R1.5 O=C1C=CC=CN1O MCULE-1310193547 [0,1,0,0,0,1|2,0,0]=4 1726 B8R1.5 O=C1C=COC=C1O MCULE-7801160559 [0,1,0,0,0,1|1,0,0]=3 1727 B8R1.5 O=C1CCCC=C1Br MCULE-3661382076 [0,1,0,0,0,1|2,0,0]=4 1728 B8R1.5 O=C1CCCC=C1I MCULE-5006563152 [0,1,0,0,0,1|2,0,0]=4 1729 B8R1.5 O=C1N=CNC=C1O MCULE-7853986404 [0,1,0,0,0,1|2,0,0]=4 1730 B8R1.5 O=C1NC=CN=C1Cl MCULE-6701443640 [0,1,0,0,0,1|2,0,0]=4 1731 B8R1.5 O=C1NC=CNC1=O MCULE-2590826589 [0,1,0,0,0,1|2,0,0]=4 1732 B8R1.5 O=C1NC=NC=C1Br MCULE-1914932585 [0,1,0,0,0,1|2,0,0]=4 1733 B8R1.5 O=C1NC=NC=C1Br MCULE-4797439815 [0,1,0,0,0,1|2,0,0]=4 1734 B8R1.5 O=C1NC=NC=C1Br MCULE-8279175534 [0,1,0,0,0,1|2,0,0]=4 1735 B8R1.5 O=C1NC=NC=C1O MCULE-6640057101 [0,1,0,0,0,1|2,0,0]=4 1736 B8R1.5 O=C1NCCC=C1Br MCULE-7421402456 [0,1,0,0,0,1|2,0,0]=4 1737 B8R1.5 O=C1NCCC=C1Cl MCULE-9026882449 [0,1,0,0,0,1|2,0,0]=4 1738 B8R1.5 O=C1NCCOC1=O MCULE-5092732656 [0,1,0,0,0,1|1,0,1]=4 1739 B8R1.5 O=C1NN=CC=C1Br MCULE-3017952463 [0,1,0,0,0,1|2,0,0]=4 1740 B8R1.5 O=C1NN=CC=C1Br MCULE-7863801387 [0,1,0,0,0,1|2,0,0]=4 1741 B8R1.5 O=C1OC=CC=C1Br MCULE-5287176026 [0,1,0,0,0,1|1,0,0]=3 1742 B8R1.5 O=C1OC=CC=C1O MCULE-9890470217 [0,1,0,0,0,1|1,0,0]=3 1743 B8R1.5 O=C1OCCC=C1Br MCULE-6619697801 [0,1,0,0,0,1|1,0,0]=3 1744 B8R1.1 BrCC1=CC(=NO1)Br MCULE-2771394868 [0,2,0,0,0,0|2,0,0]=4 1745 B8R1.1 BrCC1=CC=C(O1)Br MCULE-1166921731 [0,2,0,0,0,0|2,0,0]=4 1746 B8R1.1 C#CC1=CC(=NO1)C MCULE-3957210109 [0,2,0,0,0,0|2,0,0]=4 1747 B8R1.1 C#CC1=CC=C(O1)C MCULE-6522934730 [0,2,0,0,0,0|2,0,0]=4 1748 B8R1.1 CC1=CC(=CO1)CN MCULE-1388884705 [0,2,0,0,0,0|2,0,0]=4 1749 B8R1.1 CC1=CC(=CO1)CO MCULE-3987239184 [0,2,0,0,0,0|1,0,1]=4 1750 B8R1.1 CC1=CC(=CS1)C=O MCULE-4654357481 [0,2,0,0,0,0|1,1,0]=4 1751 B8R1.1 CC1=CC(=NO1)C#N MCULE-8031310922 [0,2,0,0,0,0|2,0,0]=4 1752 B8R1.1 CC1=CC(=NO1)C=O MCULE-7191377585 [0,2,0,0,0,0|1,0,0]=3 1753 B8R1.1 CC1=CC(=NO1)CBr MCULE-2122372736 [0,2,0,0,0,0|2,0,0]=4 1754 B8R1.1 CC1=CC(=NO1)CCl MCULE-7977792936 [0,2,0,0,0,0|2,0,0]=4 1755 B8R1.1 CC1=CC(=NO1)CN MCULE-7382076421 [0,2,0,0,0,0|2,0,0]=4 1756 B8R1.1 CC1=CC(=NO1)CN MCULE-9571121137 [0,2,0,0,0,0|2,0,0]=4 1757 B8R1.1 CC1=CC(=NO1)CN MCULE-9714739003 [0,2,0,0,0,0|2,0,0]=4 1758 B8R1.1 CC1=CC(=NO1)CO MCULE-6278663170 [0,2,0,0,0,0|1,0,1]=4 1759 B8R1.1 CC1=CC(=NO1)CS MCULE-4166334628 [0,2,0,0,0,0|1,1,0]=4 1760 B8R1.1 CC1=CC(=NS1)C=O MCULE-3138385252 [0,2,0,0,0,0|1,1,0]=4 1761 B8R1.1 CC1=CC=C(N1)C=O MCULE-5354578462 [0,2,0,0,0,0|2,0,0]=4 1762 B8R1.1 CC1=CC=C(O1)C#N MCULE-5370154607 [0,2,0,0,0,0|2,0,0]=4 1763 B8R1.1 CC1=CC=C(O1)C=O MCULE-8936450429 [0,2,0,0,0,0|1,0,0]=3 1764 B8R1.1 CC1=CC=C(O1)CN MCULE-4910323936 [0,2,0,0,0,0|2,0,0]=4 1765 B8R1.1 CC1=CC=C(O1)CO MCULE-6432692687 [0,2,0,0,0,0|1,0,1]=4 1766 B8R1.1 CC1=CC=C(O1)CS MCULE-1214637321 [0,2,0,0,0,0|1,1,0]=4 1767 B8R1.1 CC1=CC=C(S1)C=O MCULE-5958342819 [0,2,0,0,0,0|1,1,0]=4 1768 B8R1.1 CC1=CN=C(O1)C=O MCULE-7319634106 [0,2,0,0,0,0|2,0,0]=4 1769 B8R1.1 CC1=CNC(=C1)C=O MCULE-3466629196 [0,2,0,0,0,0|2,0,0]=4 1770 B8R1.1 CC1=COC(=C1)C=O MCULE-9840055188 [0,2,0,0,0,0|1,0,0]=3 1771 B8R1.1 CC1=COC(=C1)CN MCULE-9366711064 [0,2,0,0,0,0|2,0,0]=4 1772 B8R1.1 CC1=COC(=C1)CO MCULE-9819901122 [0,2,0,0,0,0|1,0,1]=4 1773 B8R1.1 CC1=COC(=N1)C=O MCULE-2083695470 [0,2,0,0,0,0|2,0,0]=4 1774 B8R1.1 CC1=CSC(=C1)C=O MCULE-8905758235 [0,2,0,0,0,0|1,1,0]=4 1775 B8R1.1 CC1=NC(=CO1)C=O MCULE-9583599478 [0,2,0,0,0,0|2,0,0]=4 1776 B8R1.1 CC1=NC(=NO1)C=O MCULE-9210947168 [0,2,0,0,0,0|2,0,0]=4 1777 B8R1.1 CC1=NC=C(O1)C=O MCULE-1917920554 [0,2,0,0,0,0|2,0,0]=4 1778 B8R1.1 CC1=NNC(=C1)C=O MCULE-8923372806 [0,2,0,0,0,0|2,0,0]=4 1779 B8R1.1 CC1=NOC(=C1)C#N MCULE-6638077030 [0,2,0,0,0,0|2,0,0]=4 1780 B8R1.1 CC1=NOC(=C1)C=O MCULE-1834049159 [0,2,0,0,0,0|1,0,0]=3 1781 B8R1.1 CC1=NOC(=C1)CBr MCULE-3228768410 [0,2,0,0,0,0|2,0,0]=4 1782 B8R1.1 CC1=NOC(=C1)CCl MCULE-5308607069 [0,2,0,0,0,0|2,0,0]=4 1783 B8R1.1 CC1=NOC(=C1)CN MCULE-4952273029 [0,2,0,0,0,0|2,0,0]=4 1784 B8R1.1 CC1=NOC(=C1)CN MCULE-6200291926 [0,2,0,0,0,0|2,0,0]=4 1785 B8R1.1 CC1=NOC(=C1)CN MCULE-8628146882 [0,2,0,0,0,0|2,0,0]=4 1786 B8R1.1 CC1=NOC(=C1)CO MCULE-8471512236 [0,2,0,0,0,0|1,0,1]=4 1787 B8R1.1 CC1=NSC(=C1)C=O MCULE-5196335862 [0,2,0,0,0,0|1,1,0]=4 1788 B8R1.1 CCC1=CC(=CO1)N MCULE-7306991601 [0,2,0,0,0,0|2,0,0]=4 1789 B8R1.1 CCC1=CC(=NO1)N MCULE-9819422415 [0,2,0,0,0,0|2,0,0]=4 1790 B8R1.1 CCC1=CC(=NO1)O MCULE-5290421721 [0,2,0,0,0,0|1,0,1]=4 1791 B8R1.1 CCC1=CC(=O)CC1 MCULE-6681801286 [0,2,0,0,0,0|2,0,0]=4 1792 B8R1.1 CCC1=CC=C(O1)C MCULE-5132828893 [0,2,0,0,0,0|2,0,0]=4 1793 B8R1.1 CCC1=NOC(=C1)I MCULE-3732475307 [0,2,0,0,0,0|2,0,0]=4 1794 B8R1.1 CCC1=NOC(=C1)N MCULE-7484001749 [0,2,0,0,0,0|2,0,0]=4 1795 B8R1.1 CCC1=NOC(=C1)O MCULE-5509018388 [0,2,0,0,0,0|1,0,1]=4 1796 B8R1.1 CCC1C=CC(=O)O1 MCULE-8058927851 [0,2,0,0,0,0|1,0,0]=3 1797 B8R1.1 CN1C=CC(=C1)C=O MCULE-3196849957 [0,2,0,0,0,0|2,0,0]=4 1798 B8R1.1 CN1C=CC(=N1)C=O MCULE-9758898516 [0,2,0,0,0,0|2,0,0]=4 1799 B8R1.1 CNC1=NOC(=C1)C MCULE-6368893890 [0,2,0,0,0,0|2,0,0]=4 1800 B8R1.1 COC1=CC(=NO1)N MCULE-3141381616 [0,2,0,0,0,0|1,0,1]=4 1801 B8R1.1 COC1=CC(=O)CC1 MCULE-7963656232 [0,2,0,0,0,0|2,0,0]=4 1802 B8R1.1 COC1=CC(=O)NC1 MCULE-1983848021 [0,2,0,0,0,0|2,0,0]=4 1803 B8R1.1 COC1=CC(=O)OC1 MCULE-9199919492 [0,2,0,0,0,0|1,0,0]=3 1804 B8R1.1 COC1=NOC(=C1)C MCULE-9817782700 [0,2,0,0,0,0|1,0,1]=4 1805 B8R1.1 COC1=NOC(=C1)N MCULE-6986455939 [0,2,0,0,0,0|1,0,1]=4 1806 B8R1.1 COC1C=CC(=O)C1 MCULE-3904672515 [0,2,0,0,0,0|2,0,0]=4 1807 B8R1.1 CSC1=CC=C(O1)C MCULE-9492880629 [0,2,0,0,0,0|1,1,0]=4 1808 B8R1.1 ClCC1=CC(=NO1)Br MCULE-5637384260 [0,2,0,0,0,0|2,0,0]=4 1809 B8R1.1 N#CC1=CC(=NO1)Br MCULE-8577548365 [0,2,0,0,0,0|2,0,0]=4 1810 B8R1.1 N#CC1=CC(=NO1)N MCULE-7220890358 [0,2,0,0,0,0|2,0,0]=4 1811 B8R1.1 N#CC1=CC=C(O1)Br MCULE-2070960305 [0,2,0,0,0,0|2,0,0]=4 1812 B8R1.1 N#CC1=CC=C(O1)Cl MCULE-2087137612 [0,2,0,0,0,0|2,0,0]=4 1813 B8R1.1 N#CC1=CC=C(O1)I MCULE-7404127995 [0,2,0,0,0,0|2,0,0]=4 1814 B8R1.1 N#CC1=COC(=C1)Br MCULE-4865460105 [0,2,0,0,0,0|2,0,0]=4 1815 B8R1.1 NC1=NNC(=C1)C=O MCULE-3430898897 [0,2,0,0,0,0|2,0,0]=4 1816 B8R1.1 NCC1=CC(=CO1)Br MCULE-4464454364 [0,2,0,0,0,0|2,0,0]=4 1817 B8R1.1 NCC1=CC(=CO1)Br MCULE-4921894623 [0,2,0,0,0,0|2,0,0]=4 1818 B8R1.1 NCC1=CC(=CO1)Cl MCULE-2217104765 [0,2,0,0,0,0|2,0,0]=4 1819 B8R1.1 NCC1=CC(=CO1)Cl MCULE-3941430996 [0,2,0,0,0,0|2,0,0]=4 1820 B8R1.1 NCC1=CC(=NO1)Br MCULE-1152141729 [0,2,0,0,0,0|2,0,0]=4 1821 B8R1.1 NCC1=CC(=NO1)Br MCULE-4559076189 [0,2,0,0,0,0|2,0,0]=4 1822 B8R1.1 NCC1=CC(=NO1)O MCULE-5314463544 [0,2,0,0,0,0|1,0,1]=4 1823 B8R1.1 NCC1=CC(=O)NN1 MCULE-2068219702 [0,2,0,0,0,0|2,0,0]=4 1824 B8R1.1 NCC1=CC(=O)NN1 MCULE-4411713656 [0,2,0,0,0,0|2,0,0]=4 1825 B8R1.1 NCC1=CC(=O)NO1 MCULE-1130806657 [0,2,0,0,0,0|1,0,0]=3 1826 B8R1.1 NCC1=CC(=O)NS1 MCULE-6498362380 [0,2,0,0,0,0|1,1,0]=4 1827 B8R1.1 NCC1=CC(=O)NS1 MCULE-6903647725 [0,2,0,0,0,0|1,1,0]=4 1828 B8R1.1 NCC1=CC=C(O1)Br MCULE-2668133450 [0,2,0,0,0,0|2,0,0]=4 1829 B8R1.1 NCC1=CC=C(O1)Br MCULE-8433134171 [0,2,0,0,0,0|2,0,0]=4 1830 B8R1.1 NCC1=CC=C(O1)Cl MCULE-9752823854 [0,2,0,0,0,0|2,0,0]=4 1831 B8R1.1 NCC1=COC(=C1)Br MCULE-4929405905 [0,2,0,0,0,0|2,0,0]=4 1832 B8R1.1 NCC1=NC(=O)ON1 MCULE-1736493364 [0,2,0,0,0,0|2,0,0]=4 1833 B8R1.1 NCC1=NC(=O)ON1 MCULE-9797025169 [0,2,0,0,0,0|2,0,0]=4 1834 B8R1.1 O=C1C=C(CO1)CBr MCULE-1493137482 [0,2,0,0,0,0|1,0,0]=3 1835 B8R1.1 O=C1C=C(CO1)CI MCULE-7834471824 [0,2,0,0,0,0|1,0,0]=3 1836 B8R1.1 O=C1C=C(CO1)CO MCULE-9263407854 [0,2,0,0,0,0|1,0,0]=3 1837 B8R1.1 O=C1C=CC(O1)CBr MCULE-5454606396 [0,2,0,0,0,0|1,0,0]=3 1838 B8R1.1 O=C1C=CC(O1)CO MCULE-4249850069 [0,2,0,0,0,0|1,0,0]=3 1839 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-3027706549 [0,2,0,0,0,0|1,0,0]=3 1840 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-5764400462 [0,2,0,0,0,0|1,0,0]=3 1841 B8R1.1 O=CC1=CC(=CN1)Br MCULE-5632187730 [0,2,0,0,0,0|2,0,0]=4 1842 B8R1.1 O=CC1=CC(=CN1)Cl MCULE-6401616436 [0,2,0,0,0,0|2,0,0]=4 1843 B8R1.1 O=CC1=CC(=CN1)I MCULE-9362866105 [0,2,0,0,0,0|2,0,0]=4 1844 B8R1.1 O=CC1=CC(=CO1)Br MCULE-1069927130 [0,2,0,0,0,0|1,0,0]=3 1845 B8R1.1 O=CC1=CC(=CO1)Cl MCULE-9372511685 [0,2,0,0,0,0|1,0,0]=3 1846 B8R1.1 O=CC1=CC(=CS1)Br MCULE-2361261417 [0,2,0,0,0,0|1,1,0]=4 1847 B8R1.1 O=CC1=CC(=CS1)Cl MCULE-3327351255 [0,2,0,0,0,0|1,1,0]=4 1848 B8R1.1 O=CC1=CC(=CS1)F MCULE-8971110775 [0,2,0,0,0,0|1,1,0]=4 1849 B8R1.1 O=CC1=CC(=CS1)I MCULE-5891393780 [0,2,0,0,0,0|1,1,0]=4 1850 B8R1.1 O=CC1=CC(=NO1)Br MCULE-8160002215 [0,2,0,0,0,0|1,0,0]=3 1851 B8R1.1 O=CC1=CC=C(N1)Br MCULE-8928897779 [0,2,0,0,0,0|2,0,0]=4 1852 B8R1.1 O=CC1=CC=C(N1)Cl MCULE-5047257153 [0,2,0,0,0,0|2,0,0]=4 1853 B8R1.1 O=CC1=CC=C(N1)I MCULE-3653035152 [0,2,0,0,0,0|2,0,0]=4 1854 B8R1.1 O=CC1=CC=C(O1)Br MCULE-1207870014 [0,2,0,0,0,0|1,0,0]=3 1855 B8R1.1 O=CC1=CC=C(O1)Cl MCULE-2826542626 [0,2,0,0,0,0|1,0,0]=3 1856 B8R1.1 O=CC1=CC=C(O1)I MCULE-7150258096 [0,2,0,0,0,0|1,0,0]=3 1857 B8R1.1 O=CC1=CC=C(S1)Br MCULE-1346963883 [0,2,0,0,0,0|1,1,0]=4 1858 B8R1.1 O=CC1=CC=C(S1)Cl MCULE-3420682275 [0,2,0,0,0,0|1,1,0]=4 1859 B8R1.1 O=CC1=CC=C(S1)F MCULE-4838110679 [0,2,0,0,0,0|1,1,0]=4 1860 B8R1.1 O=CC1=CC=C(S1)I MCULE-8126489449 [0,2,0,0,0,0|1,1,0]=4 1861 B8R1.1 O=CC1=CNC(=C1)Br MCULE-2415455714 [0,2,0,0,0,0|2,0,0]=4 1862 B8R1.1 O=CC1=CNC(=C1)I MCULE-7300933638 [0,2,0,0,0,0|2,0,0]=4 1863 B8R1.1 O=CC1=COC(=N1)Br MCULE-2358112016 [0,2,0,0,0,0|2,0,0]=4 1864 B8R1.1 O=CC1=CSC(=C1)Br MCULE-9550005786 [0,2,0,0,0,0|1,1,0]=4 1865 B8R1.1 O=CC1=CSC(=C1)Cl MCULE-4281855766 [0,2,0,0,0,0|1,1,0]=4 1866 B8R1.1 O=CC1=NC(=CO1)Br MCULE-3462956830 [0,2,0,0,0,0|2,0,0]=4 1867 B8R1.1 O=CC1=NC(=CO1)Cl MCULE-8592403281 [0,2,0,0,0,0|2,0,0]=4 1868 B8R1.1 O=CC1=NC(=NO1)Br MCULE-6566216853 [0,2,0,0,0,0|2,0,0]=4 1869 B8R1.1 O=CC1=NC=C(O1)Br MCULE-5751574538 [0,2,0,0,0,0|2,0,0]=4 1870 B8R1.1 O=CC1=NC=C(O1)Cl MCULE-1592448969 [0,2,0,0,0,0|2,0,0]=4 1871 B8R1.1 O=CC1=NNC(=C1)Br MCULE-1824548499 [0,2,0,0,0,0|2,0,0]=4 1872 B8R1.1 O=CC1=NSC(=C1)Br MCULE-6606303878 [0,2,0,0,0,0|1,1,0]=4 1873 B8R1.1 OCC1=CC(=CO1)Br MCULE-6078235234 [0,2,0,0,0,0|1,0,1]=4 1874 B8R1.1 OCC1=CC(=NO1)Br MCULE-1915933857 [0,2,0,0,0,0|1,0,1]=4 1875 B8R1.1 OCC1=CC=C(O1)Br MCULE-1647425150 [0,2,0,0,0,0|1,0,1]=4 1876 B8R1.1 OCC1=CC=C(O1)Cl MCULE-4281362938 [0,2,0,0,0,0|1,0,1]=4 1877 B8R1.1 OCC1=CC=C(O1)I MCULE-5515138864 [0,2,0,0,0,0|1,0,1]=4 1878 B8R1.1 SCC1=CC=C(O1)Cl MCULE-6441600324 [0,2,0,0,0,0|1,1,0]=4 1879 B8R1.7 C=C(C)C1=CC=CO1 MCULE-6798465856 [0,2,0,0,0,0|2,0,0]=4 1880 B8R1.7 CC(=O)C1=CC=CN1 MCULE-8111376055 [0,2,0,0,0,0|2,0,0]=4 1881 B8R1.7 CC(=O)C1=CC=CO1 MCULE-6389695813 [0,2,0,0,0,0|1,0,0]=3 1882 B8R1.7 CC(=O)C1=CC=CS1 MCULE-7771755380 [0,2,0,0,0,0|1,1,0]=4 1883 B8R1.7 CC(=O)C1=CC=NO1 MCULE-6400530220 [0,2,0,0,0,0|1,0,0]=3 1884 B8R1.7 CC(=O)C1=CC=NO1 MCULE-7437421488 [0,2,0,0,0,0|1,0,0]=3 1885 B8R1.7 CC(=O)C1=CC=NS1 MCULE-6790489481 [0,2,0,0,0,0|1,1,0]=4 1886 B8R1.7 CC(=O)C1=CN=CO1 MCULE-6114499046 [0,2,0,0,0,0|2,0,0]=4 1887 B8R1.7 CC(=O)C1=CNC=C1 MCULE-6298298881 [0,2,0,0,0,0|2,0,0]=4 1888 B8R1.7 CC(=O)C1=COC=C1 MCULE-5791648334 [0,2,0,0,0,0|1,0,0]=3 1889 B8R1.7 CC(=O)C1=COC=N1 MCULE-4496552775 [0,2,0,0,0,0|2,0,0]=4 1890 B8R1.7 CC(=O)C1=CON=C1 MCULE-6833834209 [0,2,0,0,0,0|2,0,0]=4 1891 B8R1.7 CC(=O)C1=CSC=C1 MCULE-3092440506 [0,2,0,0,0,0|1,1,0]=4 1892 B8R1.7 CC(=O)C1=C[Se]C=C1 MCULE-3604526457 [0,2,0,0,0,0|1,1,0]=4 1893 B8R1.7 CC(=O)C1=NC=CO1 MCULE-4439017055 [0,2,0,0,0,0|2,0,0]=4 1894 B8R1.7 CC(=O)C1=NNC=C1 MCULE-1764885364 [0,2,0,0,0,0|2,0,0]=4 1895 B8R1.7 CC(=O)C1=NNC=C1 MCULE-2223319558 [0,2,0,0,0,0|2,0,0]=4 1896 B8R1.7 CC(=O)C1=NOC=C1 MCULE-5515132953 [0,2,0,0,0,0|1,0,0]=3 1897 B8R1.7 CC(=O)C1=NOC=N1 MCULE-8431148879 [0,2,0,0,0,0|2,0,0]=4 1898 B8R1.7 CC(=O)C1=NSC=C1 MCULE-3804368348 [0,2,0,0,0,0|1,1,0]=4 1899 B8R1.7 CC(C)C1=CC=CO1 MCULE-5006919612 [0,2,0,0,0,0|2,0,0]=4 1900 B8R1.7 CC(N)C1=CC=CO1 MCULE-6881825521 [0,2,0,0,0,0|2,0,0]=4 1901 B8R1.7 CC(N)C1=CC=CO1 MCULE-9729112122 [0,2,0,0,0,0|2,0,0]=4 1902 B8R1.7 CC(N)C1=CC=NO1 MCULE-6427723585 [0,2,0,0,0,0|2,0,0]=4 1903 B8R1.7 CC(N)C1=CC=NO1 MCULE-8163740045 [0,2,0,0,0,0|2,0,0]=4 1904 B8R1.7 CC(N)C1=COC=C1 MCULE-2824319925 [0,2,0,0,0,0|2,0,0]=4 1905 B8R1.7 CC(N)C1=COC=C1 MCULE-6310221082 [0,2,0,0,0,0|2,0,0]=4 1906 B8R1.7 CC(N)C1=COC=C1 MCULE-8534681003 [0,2,0,0,0,0|2,0,0]=4 1907 B8R1.7 CC(N)C1=NOC=C1 MCULE-7730685562 [0,2,0,0,0,0|2,0,0]=4 1908 B8R1.7 CC(O)C1=CC=CO1 MCULE-3593974083 [0,2,0,0,0,0|1,0,1]=4 1909 B8R1.7 CC(O)C1=CC=CO1 MCULE-8955975517 [0,2,0,0,0,0|1,0,1]=4 1910 B8R1.7 CC(O)C1=COC=C1 MCULE-1264904534 [0,2,0,0,0,0|1,0,1]=4 1911 B8R1.7 CC(S)C1=CC=CO1 MCULE-2817020417 [0,2,0,0,0,0|1,1,0]=4 1912 B8R1.7 CN(C)C1=CC=NO1 MCULE-8707990656 [0,2,0,0,0,0|2,0,0]=4 1913 B8R1.7 C[C@@H](N)C1=CC=CO1 MCULE-4442301514 [0,2,0,0,0,0|2,0,0]=4 1914 B8R1.7 C[C@@H](N)C1=CC=CO1 MCULE-4568819554 [0,2,0,0,0,0|2,0,0]=4 1915 B8R1.7 C[C@@H](N)C1=CC=CO1 MCULE-6015348077 [0,2,0,0,0,0|2,0,0]=4 1916 B8R1.7 C[C@@H](N)C1=CC=CO1 MCULE-8752089038 [0,2,0,0,0,0|2,0,0]=4 1917 B8R1.7 C[C@@H](N)C1=COC=C1 MCULE-4667909672 [0,2,0,0,0,0|2,0,0]=4 1918 B8R1.7 C[C@@H](N)C1=COC=C1 MCULE-9665160479 [0,2,0,0,0,0|2,0,0]=4 1919 B8R1.7 C[C@@H](O)C1=CC=CO1 MCULE-3160995315 [0,2,0,0,0,0|1,0,1]=4 1920 B8R1.7 C[C@@H](O)C1=CC=CO1 MCULE-5913992407 [0,2,0,0,0,0|1,0,1]=4 1921 B8R1.7 C[C@@H](O)C1=COC=C1 MCULE-4608193961 [0,2,0,0,0,0|1,0,1]=4 1922 B8R1.7 C[C@H](N)C1=CC=CO1 MCULE-5162994771 [0,2,0,0,0,0|2,0,0]=4 1923 B8R1.7 C[C@H](N)C1=CC=CO1 MCULE-6401390630 [0,2,0,0,0,0|2,0,0]=4 1924 B8R1.7 C[C@H](N)C1=CC=CO1 MCULE-7687564009 [0,2,0,0,0,0|2,0,0]=4 1925 B8R1.7 C[C@H](N)C1=CC=CO1 MCULE-9994511303 [0,2,0,0,0,0|2,0,0]=4 1926 B8R1.7 C[C@H](N)C1=COC=C1 MCULE-2593431156 [0,2,0,0,0,0|2,0,0]=4 1927 B8R1.7 C[C@H](N)C1=COC=C1 MCULE-3152227992 [0,2,0,0,0,0|2,0,0]=4 1928 B8R1.7 C[C@H](N)C1=COC=C1 MCULE-4342575617 [0,2,0,0,0,0|2,0,0]=4 1929 B8R1.7 C[C@H](N)C1=COC=C1 MCULE-9344986770 [0,2,0,0,0,0|2,0,0]=4 1930 B8R1.7 C[C@H](O)C1=CC=CO1 MCULE-4636464749 [0,2,0,0,0,0|1,0,1]=4 1931 B8R1.7 C[C@H](O)C1=COC=C1 MCULE-5652894022 [0,2,0,0,0,0|1,0,1]=4 1932 B8R1.7 N=C(N)C1=CC=CO1 MCULE-1625490857 [0,2,0,0,0,0|2,0,0]=4 1933 B8R1.7 N=C(N)C1=CC=CO1 MCULE-4196389982 [0,2,0,0,0,0|2,0,0]=4 1934 B8R1.7 N=C(N)C1=COC=C1 MCULE-1928377155 [0,2,0,0,0,0|2,0,0]=4 1935 B8R1.7 N=C(N)C1=COC=C1 MCULE-3861879277 [0,2,0,0,0,0|2,0,0]=4 1936 B8R1.7 NC(=O)C1=CC=CN1 MCULE-4462347914 [0,2,0,0,0,0|2,0,0]=4 1937 B8R1.7 NC(=O)C1=CC=CO1 MCULE-1387924424 [0,2,0,0,0,0|1,0,0]=3 1938 B8R1.7 NC(=O)C1=CC=CS1 MCULE-2370255848 [0,2,0,0,0,0|1,1,0]=4 1939 B8R1.7 NC(=O)C1=CC=NN1 MCULE-8826349790 [0,2,0,0,0,0|2,0,0]=4 1940 B8R1.7 NC(=O)C1=CC=NO1 MCULE-2775036033 [0,2,0,0,0,0|1,0,0]=3 1941 B8R1.7 NC(=O)C1=CC=NS1 MCULE-3147200548 [0,2,0,0,0,0|1,1,0]=4 1942 B8R1.7 NC(=O)C1=CN=CO1 MCULE-1434757715 [0,2,0,0,0,0|2,0,0]=4 1943 B8R1.7 NC(=O)C1=CNC=C1 MCULE-1008967076 [0,2,0,0,0,0|2,0,0]=4 1944 B8R1.7 NC(=O)C1=COC=C1 MCULE-2350121576 [0,2,0,0,0,0|1,0,0]=3 1945 B8R1.7 NC(=O)C1=COC=N1 MCULE-7901825950 [0,2,0,0,0,0|2,0,0]=4 1946 B8R1.7 NC(=O)C1=CON=C1 MCULE-9165062363 [0,2,0,0,0,0|2,0,0]=4 1947 B8R1.7 NC(=O)C1=CSC=C1 MCULE-2077197908 [0,2,0,0,0,0|1,1,0]=4 1948 B8R1.7 NC(=O)C1=NC=CO1 MCULE-7785358369 [0,2,0,0,0,0|2,0,0]=4 1949 B8R1.7 NC(=O)C1=NSC=C1 MCULE-1600606100 [0,2,0,0,0,0|1,1,0]=4 1950 B8R1.7 NC(=S)C1=CC=CO1 MCULE-6700283664 [0,2,0,0,0,0|1,1,0]=4 1951 B8R1.7 NC(=S)C1=CC=NO1 MCULE-4213211362 [0,2,0,0,0,0|1,1,0]=4 1952 B8R1.7 NC(=S)C1=COC=C1 MCULE-6979013983 [0,2,0,0,0,0|1,1,0]=4 1953 B8R1.7 O=C(Cl)C1=CC=CN1 MCULE-7026539670 [0,2,0,0,0,0|2,0,0]=4 1954 B8R1.7 O=C(Cl)C1=CC=CO1 MCULE-3397677348 [0,2,0,0,0,0|1,0,0]=3 1955 B8R1.7 O=C(Cl)C1=CC=CS1 MCULE-9726042533 [0,2,0,0,0,0|1,1,0]=4 1956 B8R1.7 O=C(Cl)C1=CC=NN1 MCULE-9336611884 [0,2,0,0,0,0|2,0,0]=4 1957 B8R1.7 O=C(Cl)C1=CC=NO1 MCULE-4921347925 [0,2,0,0,0,0|1,0,0]=3 1958 B8R1.7 O=C(Cl)C1=CN=CO1 MCULE-8427544910 [0,2,0,0,0,0|2,0,0]=4 1959 B8R1.7 O=C(Cl)C1=COC=C1 MCULE-6792513805 [0,2,0,0,0,0|1,0,0]=3 1960 B8R1.7 O=C(Cl)C1=COC=N1 MCULE-1264086684 [0,2,0,0,0,0|2,0,0]=4 1961 B8R1.7 O=C(Cl)C1=CSC=C1 MCULE-4098041075 [0,2,0,0,0,0|1,1,0]=4 1962 B8R1.7 O=C(Cl)C1=NOC=C1 MCULE-4964682055 [0,2,0,0,0,0|1,0,0]=3 1963 B8R1.7 O=C(Cl)C1=NOC=N1 MCULE-2566849314 [0,2,0,0,0,0|2,0,0]=4 1964 B8R1.7 O=C(Cl)C1=NON=C1 MCULE-4470365498 [0,2,0,0,0,0|2,0,0]=4 1965 B8R1.7 O=C(O)C1=CC=CN1 MCULE-4915329170 [0,2,0,0,0,0|2,0,0]=4 1966 B8R1.7 O=C(O)C1=CC=CO1 MCULE-5132845727 [0,2,0,0,0,0|1,0,0]=3 1967 B8R1.7 O=C(O)C1=CC=CS1 MCULE-4461858345 [0,2,0,0,0,0|1,1,0]=4 1968 B8R1.7 O=C(O)C1=CC=C[Se]1 MCULE-9543908979 [0,2,0,0,0,0|1,1,0]=4 1969 B8R1.7 O=C(O)C1=CC=NO1 MCULE-4061809739 [0,2,0,0,0,0|1,0,0]=3 1970 B8R1.7 O=C(O)C1=CC=NS1 MCULE-2138423832 [0,2,0,0,0,0|1,1,0]=4 1971 B8R1.7 O=C(O)C1=CCCO1 MCULE-8380391200 [0,2,0,0,0,0|1,0,1]=4 1972 B8R1.7 O=C(O)C1=CCOC1 MCULE-3209603870 [0,2,0,0,0,0|1,0,1]=4 1973 B8R1.7 O=C(O)C1=CN=CO1 MCULE-9125638838 [0,2,0,0,0,0|2,0,0]=4 1974 B8R1.7 O=C(O)C1=CNC=C1 MCULE-2877375791 [0,2,0,0,0,0|2,0,0]=4 1975 B8R1.7 O=C(O)C1=COC=C1 MCULE-9346491380 [0,2,0,0,0,0|1,0,0]=3 1976 B8R1.7 O=C(O)C1=COC=N1 MCULE-6388820863 [0,2,0,0,0,0|2,0,0]=4 1977 B8R1.7 O=C(O)C1=COC=N1 MCULE-8404142877 [0,2,0,0,0,0|2,0,0]=4 1978 B8R1.7 O=C(O)C1=CON=C1 MCULE-7299487683 [0,2,0,0,0,0|2,0,0]=4 1979 B8R1.7 O=C(O)C1=CSC=C1 MCULE-7934636767 [0,2,0,0,0,0|1,1,0]=4 1980 B8R1.7 O=C(O)C1=NC=CO1 MCULE-3527449990 [0,2,0,0,0,0|2,0,0]=4 1981 B8R1.7 O=C(O)C1=NNC=C1 MCULE-5843831241 [0,2,0,0,0,0|2,0,0]=4 1982 B8R1.7 O=C(O)C1=NOC=C1 MCULE-3455230166 [0,2,0,0,0,0|1,0,0]=3 1983 B8R1.7 O=C(O)C1=NOC=N1 MCULE-6368000131 [0,2,0,0,0,0|2,0,0]=4 1984 B8R1.7 O=C(O)C1=NON=C1 MCULE-3271564015 [0,2,0,0,0,0|2,0,0]=4 1985 B8R1.7 O=C(O)C1=NSC=C1 MCULE-1466108511 [0,2,0,0,0,0|1,1,0]=4 1986 B8R1.7 O=C(O)C1C=CCO1 MCULE-7417068170 [0,2,0,0,0,0|1,0,1]=4 1987 B8R1.7 O=C([O-])C1=CC=CO1 MCULE-6949656709 [0,2,0,0,0,0|1,0,0]=3 1988 B8R1.7 O=C([O-])C1=CC=CO1 MCULE-9985902220 [0,2,0,0,0,0|1,0,0]=3 1989 B8R1.7 O=C([O-])C1=CC=CS1 MCULE-8307938812 [0,2,0,0,0,0|1,1,0]=4 1990 B8R1.7 O=C([O-])C1=NC=CO1 MCULE-3161815399 [0,2,0,0,0,0|2,0,0]=4 1991 B8R1.7 O=N(=O)C1=CC=CN1 MCULE-9152482981 [0,2,0,0,0,0|2,0,0]=4 1992 B8R1.7 O=N(=O)C1=CC=CO1 MCULE-8301724234 [0,2,0,0,0,0|1,0,0]=3 1993 B8R1.7 O=N(=O)C1=CC=CS1 MCULE-7909916070 [0,2,0,0,0,0|1,1,0]=4 1994 B8R1.7 O=N(=O)C1=CC=NN1 MCULE-3222467123 [0,2,0,0,0,0|2,0,0]=4 1995 B8R1.7 O=N(=O)C1=CNC=C1 MCULE-1115787236 [0,2,0,0,0,0|2,0,0]=4 1996 B8R1.7 O=N(=O)C1=CON=C1 MCULE-9344801925 [0,2,0,0,0,0|2,0,0]=4 1997 B8R1.7 O=N(=O)C1=CSC=C1 MCULE-2009936164 [0,2,0,0,0,0|1,1,0]=4 1998 B8R1.7 O=S(O)C1=CC=CS1 MCULE-6418817933 [0,2,0,0,0,0|1,1,0]=4 1999 B8R1.7 O=S([O-])C1=CC=CS1 MCULE-8018022425 [0,2,0,0,0,0|1,1,0]=4 2000 B8R1.7 OB(O)C1=CC=CO1 MCULE-5416309694 [0,2,0,0,0,0|1,0,1]=4 2001 B8R1.7 OB(O)C1=CC=NO1 MCULE-2996083804 [0,2,0,0,0,0|1,0,1]=4 2002 B8R1.7 OB(O)C1=COC=C1 MCULE-7052005904 [0,2,0,0,0,0|1,0,1]=4 2003 B8R1.7 OB(O)C1=NOC=C1 MCULE-3610823211 [0,2,0,0,0,0|1,0,1]=4 2004 B8R1.8 BrCCC1=CC=CO1 MCULE-3244967096 [0,2,0,0,0,0|2,0,0]=4 2005 B8R1.8 BrCCC1=COC=C1 MCULE-8695529260 [0,2,0,0,0,0|2,0,0]=4 2006 B8R1.8 CCCC1=CC=CO1 MCULE-9366942285 [0,2,0,0,0,0|2,0,0]=4 2007 B8R1.8 CNCC1=CC=CO1 MCULE-1710918294 [0,2,0,0,0,0|2,0,0]=4 2008 B8R1.8 CNCC1=CC=CO1 MCULE-5299298318 [0,2,0,0,0,0|2,0,0]=4 2009 B8R1.8 CNCC1=CC=NO1 MCULE-4000837015 [0,2,0,0,0,0|2,0,0]=4 2010 B8R1.8 CNCC1=CC=NO1 MCULE-5783870927 [0,2,0,0,0,0|2,0,0]=4 2011 B8R1.8 CNCC1=COC=C1 MCULE-3849875561 [0,2,0,0,0,0|2,0,0]=4 2012 B8R1.8 CNCC1=NOC=C1 MCULE-2913633018 [0,2,0,0,0,0|2,0,0]=4 2013 B8R1.8 CNCC1=NOC=C1 MCULE-4161046149 [0,2,0,0,0,0|2,0,0]=4 2014 B8R1.8 COCC1=CC=CO1 MCULE-8030118388 [0,2,0,0,0,0|1,0,1]=4 2015 B8R1.8 CSCC1=CC=CO1 MCULE-5733837840 [0,2,0,0,0,0|1,1,0]=4 2016 B8R1.8 N#CCC1=CC=CO1 MCULE-3440874191 [0,2,0,0,0,0|2,0,0]=4 2017 B8R1.8 N#CCC1=CC=NO1 MCULE-2435236572 [0,2,0,0,0,0|2,0,0]=4 2018 B8R1.8 N#CCC1=NOC=C1 MCULE-1892299289 [0,2,0,0,0,0|2,0,0]=4 2019 B8R1.8 NCCC1=CC=CO1 MCULE-1993487866 [0,2,0,0,0,0|2,0,0]=4 2020 B8R1.8 NCCC1=CC=CO1 MCULE-7825208047 [0,2,0,0,0,0|2,0,0]=4 2021 B8R1.8 NCCC1=CC=NO1 MCULE-8722721562 [0,2,0,0,0,0|2,0,0]=4 2022 B8R1.8 NCCC1=CC=NO1 MCULE-8813959532 [0,2,0,0,0,0|2,0,0]=4 2023 B8R1.8 NCCC1=COC=C1 MCULE-5963433678 [0,2,0,0,0,0|2,0,0]=4 2024 B8R1.8 NCCC1=COC=C1 MCULE-8518261441 [0,2,0,0,0,0|2,0,0]=4 2025 B8R1.8 NCCC1=NOC=C1 MCULE-6409261003 [0,2,0,0,0,0|2,0,0]=4 2026 B8R1.8 NCCC1=NOC=C1 MCULE-9499021127 [0,2,0,0,0,0|2,0,0]=4 2027 B8R1.8 O/N=C/C1=CC=CO1 MCULE-4188924462 [0,2,0,0,0,0|1,0,1]=4 2028 B8R1.8 O=C=NC1=CC=CS1 MCULE-4788549040 [0,2,0,0,0,0|1,1,0]=4 2029 B8R1.8 O=C=NC1=CSC=C1 MCULE-8317295157 [0,2,0,0,0,0|1,1,0]=4 2030 B8R1.8 O=CCC1=CC=CS1 MCULE-8803167927 [0,2,0,0,0,0|1,1,0]=4 2031 B8R1.8 OCCC1=CC=CO1 MCULE-1182357404 [0,2,0,0,0,0|1,0,1]=4 2032 B8R1.8 OCCC1=COC=C1 MCULE-8553274962 [0,2,0,0,0,0|1,0,1]=4 2033 B8R1.8 ON=CC1=CC=CO1 MCULE-3931806527 [0,2,0,0,0,0|1,0,1]=4 2034 B8R1.8 ON=CC1=COC=C1 MCULE-8914608943 [0,2,0,0,0,0|1,0,1]=4 2035 B8R1.8 ONCC1=CC=CO1 MCULE-1470863428 [0,2,0,0,0,0|1,0,1]=4 2036 B8R1.11 CC1=C(C=CO1)C#N MCULE-6190638754 [0,2,0,0,0,0|2,0,0]=4 2037 B8R1.11 CC1=C(C=CO1)C=O MCULE-3756016050 [0,2,0,0,0,0|1,0,0]=3 2038 B8R1.11 CC1=C(C=CO1)CN MCULE-5251282165 [0,2,0,0,0,0|2,0,0]=4 2039 B8R1.11 CC1=C(C=CO1)CO MCULE-7321265649 [0,2,0,0,0,0|1,0,1]=4 2040 B8R1.11 CC1=C(C=CS1)C=O MCULE-6448646967 [0,2,0,0,0,0|1,1,0]=4 2041 B8R1.11 CC1=C(C=NO1)C#N MCULE-4247995699 [0,2,0,0,0,0|2,0,0]=4 2042 B8R1.11 CC1=C(C=NO1)C=O MCULE-4524941364 [0,2,0,0,0,0|2,0,0]=4 2043 B8R1.11 CC1=C(C=NO1)CCl MCULE-2760402062 [0,2,0,0,0,0|2,0,0]=4 2044 B8R1.11 CC1=C(C=NO1)CN MCULE-4622783050 [0,2,0,0,0,0|2,0,0]=4 2045 B8R1.11 CC1=C(C=NO1)CN MCULE-5966223826 [0,2,0,0,0,0|2,0,0]=4 2046 B8R1.11 CC1=C(C=NO1)CO MCULE-4541715943 [0,2,0,0,0,0|2,0,0]=4 2047 B8R1.11 CC1=C(N=CO1)C=O MCULE-1584044606 [0,2,0,0,0,0|2,0,0]=4 2048 B8R1.11 CC1=C(NC=C1)C=O MCULE-5439756968 [0,2,0,0,0,0|2,0,0]=4 2049 B8R1.11 CC1=C(NN=C1)C=O MCULE-2538988412 [0,2,0,0,0,0|2,0,0]=4 2050 B8R1.11 CC1=C(OC=C1)C=O MCULE-1514039689 [0,2,0,0,0,0|1,0,0]=3 2051 B8R1.11 CC1=C(OC=C1)CN MCULE-2352949047 [0,2,0,0,0,0|2,0,0]=4 2052 B8R1.11 CC1=C(OC=C1)CO MCULE-9104455772 [0,2,0,0,0,0|1,0,1]=4 2053 B8R1.11 CC1=C(OC=C1)CS MCULE-7578747384 [0,2,0,0,0,0|1,1,0]=4 2054 B8R1.11 CC1=C(OC=N1)C=O MCULE-7950633787 [0,2,0,0,0,0|2,0,0]=4 2055 B8R1.11 CC1=C(ON=C1)CBr MCULE-6145834992 [0,2,0,0,0,0|2,0,0]=4 2056 B8R1.11 CC1=C(ON=C1)CCl MCULE-2681285904 [0,2,0,0,0,0|2,0,0]=4 2057 B8R1.11 CC1=C(ON=C1)CO MCULE-9009924402 [0,2,0,0,0,0|1,0,1]=4 2058 B8R1.11 CC1=C(SC=C1)C=O MCULE-6154045034 [0,2,0,0,0,0|1,1,0]=4 2059 B8R1.11 CC1=C(SN=C1)C=O MCULE-8866340084 [0,2,0,0,0,0|1,1,0]=4 2060 B8R1.11 CC1=CNN=C1C=O MCULE-3810518670 [0,2,0,0,0,0|2,0,0]=4 2061 B8R1.11 CC1=CON=C1C#N MCULE-2619248599 [0,2,0,0,0,0|2,0,0]=4 2062 B8R1.11 CC1=CON=C1C=O MCULE-9581415290 [0,2,0,0,0,0|1,0,0]=3 2063 B8R1.11 CC1=CON=C1CBr MCULE-7344487355 [0,2,0,0,0,0|2,0,0]=4 2064 B8R1.11 CC1=CON=C1CCl MCULE-5871325143 [0,2,0,0,0,0|2,0,0]=4 2065 B8R1.11 CC1=CON=C1CN MCULE-1208903290 [0,2,0,0,0,0|2,0,0]=4 2066 B8R1.11 CC1=CON=C1CO MCULE-5450435187 [0,2,0,0,0,0|1,0,1]=4 2067 B8R1.11 CC1=CSC=C1C=O MCULE-5921118381 [0,2,0,0,0,0|1,1,0]=4 2068 B8R1.11 CC1=NOC=C1C=O MCULE-7737800065 [0,2,0,0,0,0|2,0,0]=4 2069 B8R1.11 CC1=NOC=C1CCl MCULE-7180986634 [0,2,0,0,0,0|2,0,0]=4 2070 B8R1.11 CC1=NOC=C1CN MCULE-2897069734 [0,2,0,0,0,0|2,0,0]=4 2071 B8R1.11 CC1=NOC=C1CN MCULE-4896780579 [0,2,0,0,0,0|2,0,0]=4 2072 B8R1.11 CC1=NOC=C1CO MCULE-9392549761 [0,2,0,0,0,0|2,0,0]=4 2073 B8R1.11 CC1=NON=C1C=O MCULE-9206393170 [0,2,0,0,0,0|2,0,0]=4 2074 B8R1.11 CCC1=C(C=NO1)Br MCULE-6911530291 [0,2,0,0,0,0|2,0,0]=4 2075 B8R1.11 CCC1=C(C=NO1)I MCULE-3920858112 [0,2,0,0,0,0|2,0,0]=4 2076 B8R1.11 CCC1=C(C=NO1)N MCULE-1961693700 [0,2,0,0,0,0|2,0,0]=4 2077 B8R1.11 CCC1=C(C=NO1)N MCULE-4676999082 [0,2,0,0,0,0|2,0,0]=4 2078 B8R1.11 CCC1=C(ON=C1)N MCULE-7477228896 [0,2,0,0,0,0|2,0,0]=4 2079 B8R1.11 CCC1=CON=C1N MCULE-1988585829 [0,2,0,0,0,0|2,0,0]=4 2080 B8R1.11 CCC1=NOC=C1N MCULE-7444907456 [0,2,0,0,0,0|2,0,0]=4 2081 B8R1.11 CN1C=CC=C1C=O MCULE-6257317045 [0,2,0,0,0,0|2,0,0]=4 2082 B8R1.11 CN1N=CC=C1C=O MCULE-9719887404 [0,2,0,0,0,0|2,0,0]=4 2083 B8R1.11 COC1=CCCC1=O MCULE-2849263860 [0,2,0,0,0,0|2,0,0]=4 2084 B8R1.11 CSC1=C(OC=C1)C MCULE-7593219687 [0,2,0,0,0,0|1,1,0]=4 2085 B8R1.11 N#CC1=C(C=CO1)Br MCULE-8106737505 [0,2,0,0,0,0|2,0,0]=4 2086 B8R1.11 N#CC1=C(OC=C1)Br MCULE-9514686614 [0,2,0,0,0,0|2,0,0]=4 2087 B8R1.11 N#CC1=C(OC=C1)N MCULE-8558403919 [0,2,0,0,0,0|2,0,0]=4 2088 B8R1.11 N#CC1=C(ON=C1)N MCULE-3660547613 [0,2,0,0,0,0|2,0,0]=4 2089 B8R1.11 N#CC1=CON=C1N MCULE-1235205126 [0,2,0,0,0,0|2,0,0]=4 2090 B8R1.11 NC1=C(OC=C1)C=O MCULE-6101864021 [0,2,0,0,0,0|1,0,0]=3 2091 B8R1.11 NC1=C(SC=C1)C=O MCULE-1516736026 [0,2,0,0,0,0|1,1,0]=4 2092 B8R1.11 O=C1CCC=C1CO MCULE-5949194155 [0,2,0,0,0,0|2,0,0]=4 2093 B8R1.11 O=C1OCCC1=NO MCULE-1241579763 [0,2,0,0,0,0|1,0,1]=4 2094 B8R1.11 O=CC1=C(C=CN1)Br MCULE-8873872890 [0,2,0,0,0,0|2,0,0]=4 2095 B8R1.11 O=CC1=C(C=CN1)Cl MCULE-2369252815 [0,2,0,0,0,0|2,0,0]=4 2096 B8R1.11 O=CC1=C(C=CO1)Br MCULE-1671937378 [0,2,0,0,0,0|1,0,0]=3 2097 B8R1.11 O=CC1=C(C=CO1)Cl MCULE-3043496531 [0,2,0,0,0,0|1,0,0]=3 2098 B8R1.11 O=CC1=C(C=CS1)Br MCULE-9874120218 [0,2,0,0,0,0|1,1,0]=4 2099 B8R1.11 O=CC1=C(C=CS1)Cl MCULE-1094634631 [0,2,0,0,0,0|1,1,0]=4 2100 B8R1.11 O=CC1=C(C=CS1)F MCULE-2820167115 [0,2,0,0,0,0|1,1,0]=4 2101 B8R1.11 O=CC1=C(C=CS1)I MCULE-4460021376 [0,2,0,0,0,0|1,1,0]=4 2102 B8R1.11 O=CC1=C(C=NN1)Cl MCULE-4445625133 [0,2,0,0,0,0|2,0,0]=4 2103 B8R1.11 O=CC1=C(C=NN1)I MCULE-6173586190 [0,2,0,0,0,0|2,0,0]=4 2104 B8R1.11 O=CC1=C(C=NS1)Br MCULE-5757906656 [0,2,0,0,0,0|1,1,0]=4 2105 B8R1.11 O=CC1=C(OC=C1)Br MCULE-2063545242 [0,2,0,0,0,0|1,0,0]=3 2106 B8R1.11 O=CC1=C(SC=C1)Br MCULE-6013911317 [0,2,0,0,0,0|1,1,0]=4 2107 B8R1.11 O=CC1=C(SC=C1)Cl MCULE-6708957327 [0,2,0,0,0,0|1,1,0]=4 2108 B8R1.11 O=CC1=C(SC=C1)I MCULE-7857037884 [0,2,0,0,0,0|1,1,0]=4 2109 B8R1.11 O=CC1=COC=C1Br MCULE-2199528244 [0,2,0,0,0,0|1,0,0]=3 2110 B8R1.11 O=CC1=CSC=C1Br MCULE-5683115437 [0,2,0,0,0,0|1,1,0]=4 2111 B8R1.11 O=CC1=CSC=C1Cl MCULE-3910471283 [0,2,0,0,0,0|1,1,0]=4 2112 B8R1.11 O=CC1=CSC=C1F MCULE-7819102302 [0,2,0,0,0,0|1,1,0]=4 2113 B8R1.11 O=CC1=NNC=C1Br MCULE-7124457612 [0,2,0,0,0,0|2,0,0]=4 2114 B8R1.11 O=CC1=NSC=C1Br MCULE-3687770706 [0,2,0,0,0,0|1,1,0]=4 2115 B8R1.11 OCC1=C(C=NO1)Cl MCULE-3289498104 [0,2,0,0,0,0|1,0,1]=4 2116 B8R1.18 C=C1CC(=O)OC1=O MCULE-1819893564 [0,2,0,0,0,0|1,0,1]=4 2117 B8R1.18 C=C1CC(OC1=O)C MCULE-4610228867 [0,2,0,0,0,0|1,0,1]=4 2118 B8R1.18 CC1=C(OC(=C1)Br)Br MCULE-8877945879 [0,2,0,0,0,0|2,0,0]=4 2119 B8R1.18 CC1=C(OC(=O)N1)C MCULE-9563427028 [0,2,0,0,0,0|2,0,0]=4 2120 B8R1.18 CC1=C(OC(=O)O1)C MCULE-2205012091 [0,2,0,0,0,0|2,0,0]=4 2121 B8R1.18 CC1=CC(=C(O1)C)C MCULE-4079062433 [0,2,0,0,0,0|2,0,0]=4 2122 B8R1.18 CC1=CC(=C(O1)C)N MCULE-1778849195 [0,2,0,0,0,0|2,0,0]=4 2123 B8R1.18 CC1=CC(=C(O1)C)S MCULE-9143219265 [0,2,0,0,0,0|1,1,0]=4 2124 B8R1.18 CC1=CC(=O)C(O1)C MCULE-7165152063 [0,2,0,0,0,0|1,0,0]=3 2125 B8R1.18 CC1=CC(=O)CC1C MCULE-9587444246 [0,2,0,0,0,0|2,0,0]=4 2126 B8R1.18 CC1=CC(=O)N(N1)C MCULE-5732152928 [0,2,0,0,0,0|2,0,0]=4 2127 B8R1.18 CC1=CC(=O)NC1=O MCULE-3109096484 [0,2,0,0,0,0|2,0,0]=4 2128 B8R1.18 CC1=CC(=O)NN1C MCULE-4105771613 [0,2,0,0,0,0|2,0,0]=4 2129 B8R1.18 CC1=CC(=O)NN1C MCULE-5102421138 [0,2,0,0,0,0|2,0,0]=4 2130 B8R1.18 CC1=CC(=O)OC1=O MCULE-1735822163 [0,2,0,0,0,0|1,0,0]=3 2131 B8R1.18 CC1=CC(=O)OC1O MCULE-2111708862 [0,2,0,0,0,0|1,0,0]=3 2132 B8R1.18 CC1=CC(=O)O[C@@H]1O MCULE-3894053073 [0,2,0,0,0,0|1,0,0]=3 2133 B8R1.18 CC1=CC(CC1=O)O MCULE-6348285774 [0,2,0,0,0,0|2,0,0]=4 2134 B8R1.18 CC1=CC(OC1=O)Br MCULE-3845731354 [0,2,0,0,0,0|1,0,0]=3 2135 B8R1.18 CC1=CC(OC1=O)Cl MCULE-5657964064 [0,2,0,0,0,0|1,0,0]=3 2136 B8R1.18 CC1=CC(OC1=O)O MCULE-9085952542 [0,2,0,0,0,0|1,0,0]=3 2137 B8R1.18 CC1=C[C@H](NC1=O)O MCULE-7726239614 [0,2,0,0,0,0|2,0,0]=4 2138 B8R1.18 CC1OC(=O)C=C1O MCULE-1494473960 [0,2,0,0,0,0|1,0,0]=3 2139 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,2,0,0,0,0|2,0,0]=4 2140 B8R1.18 CN1NC(=CC1=O)N MCULE-9402016986 [0,2,0,0,0,0|2,0,0]=4 2141 B8R1.18 CN1NC(=O)C=C1N MCULE-9124998543 [0,2,0,0,0,0|2,0,0]=4 2142 B8R1.18 CN1OC(=CC1=O)N MCULE-9415679355 [0,2,0,0,0,0|1,0,0]=3 2143 B8R1.18 CN1OC(=O)C=C1N MCULE-3196224067 [0,2,0,0,0,0|1,0,0]=3 2144 B8R1.18 CN1SC(=CC1=O)Cl MCULE-2114948755 [0,2,0,0,0,0|1,1,0]=4 2145 B8R1.18 CN1SC(=CC1=O)Cl MCULE-8725009755 [0,2,0,0,0,0|1,1,0]=4 2146 B8R1.18 O=C1C=C(C(=O)N1)Br MCULE-6173415556 [0,2,0,0,0,0|2,0,0]=4 2147 B8R1.18 O=C1C=C(C(=O)O1)Br MCULE-2984870530 [0,2,0,0,0,0|1,0,0]=3 2148 B8R1.18 O=C1C=C(C(N1)O)Br MCULE-4783191833 [0,2,0,0,0,0|2,0,0]=4 2149 B8R1.18 O=C1C=C(C(O1)O)Cl MCULE-9764142144 [0,2,0,0,0,0|1,0,0]=3 2150 B8R1.18 O=C1CC(=C(O1)Br)O MCULE-8632709834 [0,2,0,0,0,0|1,0,1]=4 2151 B8R1.18 O=C1OB(OC1=O)F MCULE-7919378286 [0,2,0,0,0,0|2,0,0]=4 2152 B8R1.18 O=C1OB(OC1=O)F MCULE-9190684136 [0,2,0,0,0,0|2,0,0]=4 2153 B8R1.50 CC1=C(C(=NO1)Br)C MCULE-8310925987 [0,2,0,0,0,0|2,0,0]=4 2154 B8R1.50 CC1=C(C(=NO1)Cl)C MCULE-8848568793 [0,2,0,0,0,0|2,0,0]=4 2155 B8R1.50 CC1=C(C(=NO1)N)Br MCULE-3638177234 [0,2,0,0,0,0|2,0,0]=4 2156 B8R1.50 CC1=C(C(=NO1)N)C MCULE-9656458407 [0,2,0,0,0,0|2,0,0]=4 2157 B8R1.50 CC1=C(C(=NO1)N)Cl MCULE-1148995587 [0,2,0,0,0,0|2,0,0]=4 2158 B8R1.50 CC1=C(C(=NO1)O)Br MCULE-8811281244 [0,2,0,0,0,0|1,0,1]=4 2159 B8R1.50 CC1=C(C(=NO1)O)C MCULE-4287762482 [0,2,0,0,0,0|1,0,1]=4 2160 B8R1.50 CC1=C(C(=O)CC1)Br MCULE-4093496442 [0,2,0,0,0,0|2,0,0]=4 2161 B8R1.50 CC1=C(C(=O)CC1)C MCULE-6370073595 [0,2,0,0,0,0|2,0,0]=4 2162 B8R1.50 CC1=C(C(=O)CC1)O MCULE-2968247012 [0,2,0,0,0,0|2,0,0]=4 2163 B8R1.50 CC1=C(C(=O)CC1)O MCULE-9147894168 [0,2,0,0,0,0|2,0,0]=4 2164 B8R1.50 CC1=C(C(=O)CO1)O MCULE-9541217217 [0,2,0,0,0,0|1,0,0]=3 2165 B8R1.50 CC1=C(C(=O)N=N1)C MCULE-5610678748 [0,2,0,0,0,0|2,0,0]=4 2166 B8R1.50 CC1=C(C(=O)NC1)C MCULE-4444366984 [0,2,0,0,0,0|2,0,0]=4 2167 B8R1.50 CC1=C(C(=O)NN1)Br MCULE-1547416734 [0,2,0,0,0,0|2,0,0]=4 2168 B8R1.50 CC1=C(C(=O)NN1)N MCULE-2893871378 [0,2,0,0,0,0|2,0,0]=4 2169 B8R1.50 CC1=C(C(=O)NN1)N MCULE-8633976044 [0,2,0,0,0,0|2,0,0]=4 2170 B8R1.50 CC1=C(C(=O)NO1)Cl MCULE-8820928279 [0,2,0,0,0,0|1,0,0]=3 2171 B8R1.50 CC1=C(C(=O)OC1)O MCULE-7870847121 [0,2,0,0,0,0|1,0,0]=3 2172 B8R1.50 CC1=C(C(=O)SC1)O MCULE-2081484623 [0,2,0,0,0,0|1,1,0]=4 2173 B8R1.50 CC1=C(CCC1=O)O MCULE-6367252690 [0,2,0,0,0,0|2,0,0]=4 2174 B8R1.50 CC1=C(COC1=O)Br MCULE-6953448957 [0,2,0,0,0,0|1,0,0]=3 2175 B8R1.50 CC1=C(COC1=O)O MCULE-4822806082 [0,2,0,0,0,0|1,0,0]=3 2176 B8R1.50 CC1=C(OCC1=O)O MCULE-1835077768 [0,2,0,0,0,0|1,0,0]=3 2177 B8R1.50 CC1=C(ON=C1O)N MCULE-1946893657 [0,2,0,0,0,0|1,0,1]=4 2178 B8R1.50 CC1=NOC(=C1Br)C MCULE-9679807815 [0,2,0,0,0,0|2,0,0]=4 2179 B8R1.50 CC1=NOC(=C1Br)N MCULE-2742842443 [0,2,0,0,0,0|2,0,0]=4 2180 B8R1.50 CC1=NOC(=C1C)N MCULE-9922905512 [0,2,0,0,0,0|2,0,0]=4 2181 B8R1.50 CC1=NOC(=C1Cl)C MCULE-9639083177 [0,2,0,0,0,0|2,0,0]=4 2182 B8R1.50 CC1=NOC(=C1Cl)N MCULE-5692188276 [0,2,0,0,0,0|2,0,0]=4 2183 B8R1.50 CC1=NOC(=C1I)C MCULE-1912492931 [0,2,0,0,0,0|2,0,0]=4 2184 B8R1.50 CC1=NOC(=C1N)C MCULE-5573559655 [0,2,0,0,0,0|2,0,0]=4 2185 B8R1.50 CC1=NOC(=C1N)C MCULE-6577674457 [0,2,0,0,0,0|2,0,0]=4 2186 B8R1.50 CC1=NOC(=C1O)C MCULE-1389073754 [0,2,0,0,0,0|2,0,0]=4 2187 B8R1.50 CC1=NOC(=O)C1C MCULE-6668573558 [0,2,0,0,0,0|1,0,1]=4 2188 B8R1.50 CC1C(=O)COC1=O MCULE-4188541096 [0,2,0,0,0,0|1,0,1]=4 2189 B8R1.50 CN1C(=O)C=CC1=O MCULE-2337038549 [0,2,0,0,0,0|2,0,0]=4 2190 B8R1.50 CN1C(=O)COC1=O MCULE-1190604947 [0,2,0,0,0,0|2,0,0]=4 2191 B8R1.50 O=C1C=CC(=O)N1Cl MCULE-3334700253 [0,2,0,0,0,0|2,0,0]=4 2192 B8R1.50 O=C1C=CC(=O)N1O MCULE-9775072223 [0,2,0,0,0,0|2,0,0]=4 2193 B8R1.50 O=C1CCC(=C1F)O MCULE-4719137849 [0,2,0,0,0,0|2,0,0]=4 2194 B8R1.50 O=C1COC(=O)C1Br MCULE-7458581655 [0,2,0,0,0,0|1,0,1]=4 2195 B8R1.50 O=C1COC(=O)C1Cl MCULE-1326411169 [0,2,0,0,0,0|1,0,1]=4 2196 B8R1.50 O=C1OCC(=C1Br)Br MCULE-4636963042 [0,2,0,0,0,0|1,0,0]=3 2197 B8R1.50 O=C1OCC(=C1Br)O MCULE-3463044896 [0,2,0,0,0,0|1,0,0]=3 2198 B8R1.50 O=C1OCC(=C1Cl)Cl MCULE-1730099484 [0,2,0,0,0,0|1,0,0]=3 2199 B8R1.50 O=C1SSC(=C1Cl)Cl MCULE-2404431234 [0,2,0,0,0,0|0,2,0]=4 2200 B8R1.50 [NH3+]C1=C(C(=O)NN1)N MCULE-6101059606 [0,2,0,0,0,0|2,0,0]=4 2201 B8R1.51 CC1(C=CC(=O)C1)C MCULE-2691948275 [0,2,0,0,0,0|2,0,0]=4 2202 B8R1.19 CC1(CC=CC1=O)C MCULE-5478168383 [0,2,0,0,0,0|2,0,0]=4 2203 B8R1.19 CC1(OC=CC1=O)C MCULE-4109921623 [0,2,0,0,0,0|1,0,0]=3 2204 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [0,0,1,1,0,0|0,0,2]=4 2205 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [0,0,1,1,0,0|0,0,2]=4 2206 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [0,0,1,1,0,0|0,0,2]=4 2207 B8R1.22 O=C1C=CC=CC=C1 MCULE-5628531135 [0,0,0,0,0,2|2,0,0]=4 2208 B8R1.22 O=C1C=CCCCC1 MCULE-5281461360 [0,0,0,0,0,2|2,0,0]=4 2209 B8R1.22 O=C1C=CCCCN1 MCULE-6257739832 [0,0,0,0,0,2|2,0,0]=4 2210 B8R1.22 O=C1CCC=CCC1 MCULE-5704984437 [0,0,0,0,0,2|2,0,0]=4 2211 B8R1.22 O=C1CCOCCO1 MCULE-1433837187 [0,0,0,0,0,2|0,0,2]=4