0 B11R1.157 CC(=O)CC1=CC(=CC=C1)Br Z513735382 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.157 CC(=O)CC1=CC(=CC=C1)Cl Z513733552 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.157 CC(=O)CC1=CC(=CC=C1)F Z329711550 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br Z27788933 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.157 CC(=O)NC1=CC(=CC=C1)I Z26432839 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.157 CC(=O)NC1=CC(=CC=C1)N Z56926524 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.157 CC(=O)NC1=CC(=CC=C1)O Z31717082 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.157 CC(C)CC1=CC(=CC=C1)I Z1618143122 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.157 CC(C)CC1=CC(=NC=C1)N Z1197889925 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.157 CC(C)CC1=NC=NC(=C1)Cl Z1198234909 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.157 CC(C)NC1=CC(=CC=C1)Br Z266469772 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.157 CC(C)NC1=CC(=CC=C1)F Z266497380 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.157 CC(C)NC1=CC(=CC=C1)O Z335562192 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.157 CC(C)OC1=CC(=CC=C1)Br Z53833977 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.157 CC(C)OC1=CC(=CC=C1)N Z239604760 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.157 CC(C)OC1=CC(=CC=C1)O Z381415570 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.157 CC(C)OC1=CC(=CN=C1)Br Z1206893743 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.157 CC(N)CC1=CC(=CC=C1)Br Z1259341031 [0,0,0,0,0,0|1,0,0]=1 18 B11R1.157 CC(N)CC1=CC(=CC=C1)Cl Z425389644 [0,0,0,0,0,0|1,0,0]=1 19 B11R1.157 CC(N)CC1=CC(=CC=C1)O Z285144026 [0,0,0,0,0,0|0,0,0]=0 20 B11R1.157 CC(O)CC1=CC(=CC=C1)F Z513751286 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.157 CC1=CC(=CC=C1)NC(=N)N Z979503154 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.157 CC1=CC(=CC=C1)NC(=S)N Z56921365 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.157 CN(C)CC1=CC(=CC=C1)N Z285162888 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.157 CN(C)CC1=CC(=CN=C1)N Z2181809496 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.157 CN(C)CC1=CC(=NC=C1)N Z991479938 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.157 CS(=O)CC1=CC(=CC=C1)N Z802580778 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.157 N=C(N)CC1=CC(=CC=C1)Br Z1636723568 [0,0,0,0,0,0|2,0,1]=3 28 B11R1.157 N=C(N)CC1=CC(=CC=C1)F Z1695709629 [0,0,0,0,0,0|2,0,1]=3 29 B11R1.157 N=C(N)NC1=CC(=CC=C1)Cl Z979503082 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.157 NC(=O)CC1=CC(=CC=C1)Cl Z992289380 [0,0,0,0,0,0|2,0,1]=3 31 B11R1.157 NC(=O)CC1=CC(=CC=C1)I Z1419030795 [0,0,0,0,0,0|2,0,1]=3 32 B11R1.157 NC(=O)CC1=CC(=CC=C1)O Z816010252 [0,0,0,0,0,0|1,0,1]=2 33 B11R1.157 NC(=O)NC1=CC(=CC=C1)Br Z198194688 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.157 NC(=O)NC1=CC(=CC=C1)Cl Z166687084 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.157 NC(=O)NC1=CC(=CC=C1)I Z198194890 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.157 NC(=O)NC1=CC(=CC=C1)N Z235352405 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.157 NC(=O)NC1=CC(=CC=C1)O Z335810106 [0,0,0,0,0,0|2,0,1]=3 38 B11R1.157 NC(=S)NC1=CC(=CC=C1)Br Z111871258 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.157 NC(=S)NC1=CC(=CC=C1)Cl Z199466968 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.157 NC(=S)NC1=CC(=CC=C1)O Z199466960 [0,0,0,0,0,0|2,0,1]=3 41 B11R1.157 NC1=CC(=CC=C1)CC(=O)O Z992267406 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.157 NC1=CC(=CC=C1)CC(F)F Z4075414750 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.157 NC1=CC(=CC=C1)OC(F)F Z119989016 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.157 NC1=CC(=CC=C1)SC(F)F Z1020693248 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.157 O=C(O)CC1=CC(=CC=C1)Br Z285131530 [0,0,0,0,0,0|3,0,1]=4 46 B11R1.157 O=C(O)CC1=CC(=CC=C1)Cl Z285184608 [0,0,0,0,0,0|3,0,1]=4 47 B11R1.157 O=C(O)CC1=CC(=CC=C1)F Z104486030 [0,0,0,0,0,0|3,0,1]=4 48 B11R1.157 O=C(O)CC1=CC(=CC=C1)I Z1269113140 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.157 O=C(O)CC1=CC(=CC=C1)O Z816000338 [0,0,0,0,0,0|2,0,1]=3 50 B11R1.157 O=C(O)CC1=CC(=CN=C1)O Z1255437243 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.157 O=C(O)CC1=CC(=NC=C1)O Z5003228420 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.157 O=[N+]([O-])CC1=CC(=CC=C1)F Z2181775549 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.10 CC1=CC(=CC=C1)CC#N Z285131450 [1,0,0,0,0,0|1,0,2]=4 54 B10R1.10 CC1=CC(=CC=C1)CCN Z241056516 [1,0,0,0,0,0|1,0,0]=2 55 B10R1.10 CC1=NC(=CC=C1)CCN Z1098234194 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.10 CCCC1=CC(=CC=C1)Br Z1541586975 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.10 CCCC1=CC(=NN=C1)Cl Z4580564381 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.10 CCCC1=CC(=NN=C1)N Z4580562529 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.10 CCCC1=CC(=O)NN=C1 Z1198341234 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.10 CCCC1=NC(=CC=N1)N Z856211250 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.10 CCNC1=CC(=CC=C1)Br Z1217910559 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.10 CCNC1=CC(=CC=C1)C Z56785946 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.10 CCNC1=CC(=CC=C1)Cl Z286371690 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.10 CCNC1=CC(=NC=C1)Cl Z979422192 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.10 CCOC1=CC(=CC=C1)Br Z53833934 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.10 CCOC1=CC(=CC=C1)I Z54181578 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.10 CCOC1=CC(=NC=C1)N Z1198157310 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.10 CCOC1=NC(=CC=C1)C Z1198168604 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.10 CCOC1=NC(=CC=C1)N Z1139188017 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.10 CCSC1=CC(=CC=C1)Br Z1090207966 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.10 CCSC1=CC(=CC=C1)N Z600393424 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.10 CCSC1=CC(=NC=C1)Cl Z1157653444 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.10 CCSC1=CC=CC(=O)N1 Z3004833863 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.10 CNCC1=CC(=CC=C1)C Z102766992 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.10 CNCC1=CC(=CC=C1)Cl Z56963343 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.10 CNCC1=CC(=CC=C1)F Z56946085 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.10 CNCC1=CC(=CC=C1)I Z3302798080 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.10 CNCC1=CC(=CC=C1)O Z102766970 [1,0,0,0,0,0|1,0,0]=2 79 B10R1.10 CNCC1=CC(=CN=C1)Br Z5095377359 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.10 CNCC1=CC=CC(=O)N1 Z2895739022 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.10 CNCC1=NC(=CC=C1)C Z1255523287 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.10 CNCC1=NC=CC(=C1)C Z5443664854 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.10 CNCC1=NC=CC(=C1)Cl Z3214695745 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.10 COCC1=CC(=CC=C1)N Z285163816 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.10 COCC1=CC(=CC=C1)O Z821093526 [1,0,0,0,0,0|1,0,0]=2 86 B10R1.10 COCC1=CC(=NC=C1)N Z991490692 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.10 COCC1=NC=NC(=C1)O Z1459946056 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.10 CSCC1=CC(=CC=C1)Br Z17129082 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.10 CSCC1=CC(=CC=C1)N Z732207152 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.10 CSCC1=CC(=NC=C1)N Z991494168 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.10 N#CCC1=CC=CC(=C1)Cl Z57039594 [1,0,0,0,0,0|1,0,2]=4 92 B10R1.10 N#CCC1=CC=CC(=C1)F Z104477994 [1,0,0,0,0,0|1,0,2]=4 93 B10R1.10 N#CCC1=CC=CC(=C1)N Z90120426 [1,0,0,0,0,0|1,0,2]=4 94 B10R1.10 N#CCC1=CC=CC(=C1)O Z1198161712 [1,0,0,0,0,0|0,0,2]=3 95 B10R1.10 NC1=CC(=CC=C1)CCO Z1198160776 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.10 NC1=NC=CC(=C1)CCO Z1197888440 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.10 NCCC1=CC(=CC=C1)Br Z285143760 [1,0,0,0,0,0|1,0,0]=2 98 B10R1.10 NCCC1=CC(=CC=C1)Cl Z57051063 [1,0,0,0,0,0|1,0,0]=2 99 B10R1.10 NCCC1=CC(=CC=C1)F Z96092963 [1,0,0,0,0,0|1,0,0]=2 100 B10R1.10 NCCC1=CC(=CC=C1)I Z4874662549 [1,0,0,0,0,0|1,0,0]=2 101 B10R1.10 NCCC1=CC(=CC=C1)O Z935140764 [1,0,0,0,0,0|0,0,0]=1 102 B10R1.10 NCCC1=CC(=CN=C1)O Z1504671788 [1,0,0,0,0,0|1,0,0]=2 103 B10R1.10 NCCC1=CC(=NC=C1)N Z2310698980 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.10 NCCC1=NC(=NC=C1)N Z5619121124 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.10 NCCC1=NC=NC(=C1)Br Z4513781102 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.10 NCCC1=NC=NC(=C1)O Z2310716008 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.10 NOCC1=CC(=CC=C1)Cl Z1198339567 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.10 O=CCC1=CC=CC(=C1)Br Z1079442816 [1,0,0,0,0,0|2,0,1]=4 109 B10R1.10 O=CCC1=CC=CC(=C1)Cl Z993017836 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.10 O=CNC1=CC=CC(=C1)O Z56886391 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.10 OCCC1=CC(=CC=C1)Cl Z992289382 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.10 OCCC1=CC(=CC=C1)F Z397587224 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.18 CC(=O)CC1=CC=NC=C1 Z992409812 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [1,0,0,0,0,0|1,0,0]=2 116 B10R1.18 CC(C)CC1=NC=CC=C1 Z1201621742 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.18 CC(C)NC1=CC=CC=C1 Z104475020 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.18 CC(C)NC1=CN=CC=C1 Z334882282 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [1,0,0,0,0,0|2,0,0]=3 120 B10R1.18 CC(C)OC1=CC=NC=C1 Z1140308716 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.18 CC(N)CC1=CC=NC=C1 Z285143992 [1,0,0,0,0,0|1,0,0]=2 122 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [1,0,0,0,0,0|1,0,0]=2 123 B10R1.18 CC(O)CC1=CC=NC=C1 Z992409872 [1,0,0,0,0,0|2,0,0]=3 124 B10R1.18 CC(O)CC1=NC=CC=C1 Z513750714 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.18 CN(C)CC1=CN=CC=C1 Z140563088 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.18 CN(C)CC1=NC=CC=C1 Z4614651190 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [1,0,0,0,0,0|1,0,1]=3 128 B10R1.18 N=C(N)CC1=CC=NC=C1 Z2441004470 [1,0,0,0,0,0|2,0,1]=4 129 B10R1.18 N=C(N)CC1=CN=CC=C1 Z2350941593 [1,0,0,0,0,0|2,0,1]=4 130 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [1,0,0,0,0,0|1,0,1]=3 131 B10R1.18 NC(=O)CC1=CC=NC=C1 Z234895093 [1,0,0,0,0,0|2,0,1]=4 132 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [1,0,0,0,0,0|2,0,1]=4 133 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [1,0,0,0,0,0|1,0,1]=3 134 B10R1.18 NC(=S)NC1=CC=CC=C1 Z57474172 [1,0,0,0,0,0|2,0,1]=4 135 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 Z995236210 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.18 OB(O)CC1=CC=CC=C1 Z1147227831 [1,0,0,0,0,0|3,0,0]=4 138 B12R1.19 CC(=O)CC1=CC(=C(C=C1)Br)F Z1269186824 [0,1,0,0,0,0|2,0,1]=4 139 B12R1.19 CC(=O)CC1=CC(=C(C=C1)O)Br Z1269192817 [0,1,0,0,0,0|2,0,1]=4 140 B12R1.19 CC(C)NC1=CC(=C(C=C1)Cl)Cl Z267194630 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.19 CC(C)OC1=CC(=C(C=C1)N)Cl Z955172598 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.19 CC(C)OC1=CC(=C(C=C1)N)F Z839157364 [0,1,0,0,0,0|3,0,0]=4 143 B12R1.19 CC(N)CC1=CC(=C(C=C1)F)Br Z285144030 [0,1,0,0,0,0|1,0,0]=2 144 B12R1.19 CC(N)CC1=CC(=C(C=C1)O)O Z1891776857 [0,1,0,0,0,0|0,0,0]=1 145 B12R1.19 CC(O)CC1=CC(=C(C=C1)Br)F Z1295686053 [0,1,0,0,0,0|2,0,0]=3 146 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)O Z1198166108 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.19 CC1=C(C=C(C=C1)CC(C)N)F Z4098107054 [0,1,0,0,0,0|1,0,0]=2 148 B12R1.19 CC1=C(C=C(C=C1)CN(C)C)N Z335289232 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.19 CC1=C(C=CC(=C1)CN(C)C)N Z335289244 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.19 CC1=C(C=CC(=C1)OC(C)C)N Z239604804 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.19 CN(C)CC1=CC(=C(C=C1)N)F Z1097100932 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.19 CN(C)CC1=CC(=C(C=C1)O)Cl Z1945695050 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.19 CS(=O)CC1=CC(=C(C=C1)Cl)N Z802580892 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.19 NC(=O)CC1=CC(=C(C=C1)Cl)Cl Z33546666 [0,1,0,0,0,0|2,0,1]=4 155 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)O Z1255438427 [0,1,0,0,0,0|2,0,1]=4 156 B12R1.50 C#CC(N)CC1=CC(=CC=C1)F Z3178895122 [0,1,0,0,0,0|1,0,1]=3 157 B12R1.50 CC(C#N)SC1=CC(=CC=C1)Br Z1020820534 [0,1,0,0,0,0|2,0,1]=4 158 B12R1.50 CC(CN)OC1=CC(=CC=C1)Br Z844632504 [0,1,0,0,0,0|2,0,0]=3 159 B12R1.50 CC(CN)OC1=CC(=CC=C1)Cl Z1263820268 [0,1,0,0,0,0|2,0,0]=3 160 B12R1.50 CC(CN)OC1=CC(=CC=C1)F Z844631990 [0,1,0,0,0,0|2,0,0]=3 161 B12R1.50 CC1=CC(=CC=C1)CC(=O)CCl Z276118998 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.50 CC1=CC(=CC=C1)CC(N)CO Z1801307645 [0,1,0,0,0,0|1,0,0]=2 163 B12R1.50 CC1=CC=CC(=C1)OC(C)CN Z844631960 [0,1,0,0,0,0|2,0,0]=3 164 B12R1.50 CC1=NC(=CC=C1)CC(N)CO Z4870594850 [0,1,0,0,0,0|2,0,0]=3 165 B12R1.50 CCC(C)OC1=CC(=CC=C1)N Z331149114 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.50 CCS(=O)CC1=CC(=CC=C1)Br Z1618064713 [0,1,0,0,0,0|3,0,0]=4 167 B12R1.50 CNC(=O)CC1=CC(=CC=C1)O Z816010790 [0,1,0,0,0,0|1,0,1]=3 168 B12R1.50 CNC(=O)OC1=CC(=CC=C1)O Z1509352023 [0,1,0,0,0,0|2,0,1]=4 169 B12R1.50 CNC(C)CC1=CC(=CC=C1)C Z2311236342 [0,1,0,0,0,0|1,0,0]=2 170 B12R1.50 COC(=O)CC1=CC(=CC=C1)Br Z905185712 [0,1,0,0,0,0|2,0,1]=4 171 B12R1.50 COC(=O)CC1=CC(=CC=C1)N Z1250132316 [0,1,0,0,0,0|2,0,1]=4 172 B12R1.50 COC(=O)CC1=CC(=CC=C1)O Z816010254 [0,1,0,0,0,0|1,0,1]=3 173 B12R1.50 COC(=O)NC1=CC(=CC=C1)O Z335810160 [0,1,0,0,0,0|2,0,1]=4 174 B12R1.50 NC(CO)CC1=CC(=CC=C1)F Z1198222234 [0,1,0,0,0,0|1,0,0]=2 175 B12R1.50 NCC(=O)CC1=CC(=CC=C1)Br Z1981870420 [0,1,0,0,0,0|2,0,1]=4 176 B12R1.50 NCC(O)CC1=CC(=CC=C1)Br Z4981222469 [0,1,0,0,0,0|2,0,0]=3 177 B12R1.50 O=C(CC1=CC(=CC=C1)F)NO Z59182830 [0,1,0,0,0,0|2,0,1]=4 178 B12R1.50 O=C(CC1=CC(=CC=C1)O)NO Z816010210 [0,1,0,0,0,0|1,0,1]=3 179 B12R1.50 O=C(CCl)CC1=CC(=CC=C1)Br Z408178442 [0,1,0,0,0,0|2,0,1]=4 180 B12R1.50 O=C(CCl)CC1=CC(=CC=C1)Cl Z316174772 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.50 O=C(CCl)CC1=CC=CC(=C1)F Z316174766 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.101 CC(C)OC1=CC(=CC(=C1)N)Br Z1350606462 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.101 CC(C)OC1=CC(=CC(=C1)N)Cl Z3476234786 [0,1,0,0,0,0|3,0,0]=4 184 B12R1.101 CC(O)CC1=CC(=CC(=C1)F)Br Z1295686052 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.101 CC1=CC(=CC(=C1)CC(C)N)C Z1262691704 [0,1,0,0,0,0|1,0,0]=2 186 B12R1.101 O=C(O)CC1=CC(=CC(=C1)O)Br Z1269195529 [0,1,0,0,0,0|2,0,1]=4 187 B12R1.119 CC(C)(N)CC1=CC(=CC=C1)Br Z415658564 [0,1,0,0,0,0|1,0,0]=2 188 B12R1.119 CC1=CC(=CC=C1)CS(=O)(=O)N Z274590020 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.119 CS(=O)(=O)CC1=CC(=CC=C1)N Z732207952 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.119 CS(=O)(=O)NC1=CC(=CC=C1)O Z45637535 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.119 FC(F)(F)CC1=CC(=CC=C1)Br Z1269145109 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.119 NC1=CC(=CC=C1)CC(F)(F)F Z1251364458 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.119 NC1=CC(=CC=C1)CS(=O)(=O)N Z406717276 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.119 NS(=O)(=O)CC1=CC(=CC=C1)Br Z734461516 [0,1,0,0,0,0|3,0,0]=4 195 B12R1.119 NS(=O)(=O)CC1=CC(=CC=C1)Cl Z274588496 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.119 NS(=O)(=O)CC1=CC(=CC=C1)F Z385450912 [0,1,0,0,0,0|3,0,0]=4 197 B12R1.119 OC1=CC(=CN=C1)CC(F)(F)F Z6020732331 [0,1,0,0,0,0|3,0,0]=4 198 B12R1.127 CC(=O)CC1=C(C=CC(=C1)F)Br Z992965748 [0,1,0,0,0,0|2,0,1]=4 199 B12R1.127 CC(C)OC1=C(C=CC(=C1)F)N Z1623872319 [0,1,0,0,0,0|3,0,0]=4 200 B12R1.127 CC(C)OC1=C(C=CC(=C1)F)O Z1255426185 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.127 CC(O)CC1=C(C=CC(=C1)F)Br Z992976478 [0,1,0,0,0,0|2,0,0]=3 202 B12R1.127 CC1=C(C=C(C=C1)N)OC(C)C Z1895741280 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.127 CC1=CC(=C(C=C1)C)NC(C)C Z267155660 [0,1,0,0,0,0|3,0,0]=4 204 B12R1.127 CC1=CC(=C(C=C1)N)CN(C)C Z335442464 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.127 CN(C)CC1=C(C=CC(=C1)Cl)N Z1262645408 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.127 CN(C)CC1=C(C=CC(=C1)N)Cl Z394691460 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.127 CS(=O)CC1=C(C=CC(=C1)N)Cl Z802580894 [0,1,0,0,0,0|3,0,0]=4 208 B12R1.127 O=C(O)CC1=C(C=CC(=C1)O)Br Z1269121921 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.224 CC(C)NC1=C(C(=CC=C1)F)I Z4044435516 [0,1,0,0,0,0|3,0,0]=4 210 B12R1.224 CC(C)NC1=C(C(=CC=C1)F)N Z451389158 [0,1,0,0,0,0|3,0,0]=4 211 B12R1.224 CC(N)CC1=C(C(=CC=C1)F)F Z5033535620 [0,1,0,0,0,0|1,0,0]=2 212 B12R1.224 CC(O)CC1=C(C(=CC=C1)F)Br Z1295677298 [0,1,0,0,0,0|2,0,0]=3 213 B12R1.224 CC1=C(C=CC=C1N)CS(=O)C Z802581006 [0,1,0,0,0,0|3,0,0]=4 214 B12R1.224 NC(=O)CC1=C(C(=CC=C1)Cl)F Z2169650265 [0,1,0,0,0,0|2,0,1]=4 215 B12R1.224 O=C(O)CC1=C(C(=CC=C1)O)F Z1198218753 [0,1,0,0,0,0|2,0,1]=4 216 B12R1.225 CC(=O)C(O)C1=CC(=CC=C1)Cl Z1255467340 [0,1,0,0,0,0|2,0,1]=4 217 B12R1.225 CC(Br)C(=O)C1=CC(=CC=C1)Cl Z56946912 [0,1,0,0,0,0|2,0,1]=4 218 B12R1.225 CC(C)C(=O)C1=CC(=CC=C1)N Z3026469959 [0,1,0,0,0,0|2,0,1]=4 219 B12R1.225 CC(C)N(C)C1=CC(=CC=C1)N Z376447164 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C Z1176485649 [0,1,0,0,0,0|2,0,0]=3 221 B12R1.225 CC(N)C(=O)C1=CC(=CC=C1)O Z3015076235 [0,1,0,0,0,0|0,0,1]=2 222 B12R1.225 CC(N)C(O)C1=CC(=CC=C1)F Z1695740794 [0,1,0,0,0,0|1,0,0]=2 223 B12R1.225 CN(C)C(=O)C1=CC(=CC=C1)O Z32014356 [0,1,0,0,0,0|2,0,1]=4 224 B12R1.225 C[C@@H](C1=CC(=CC=C1)O)N(C)C Z1198169241 [0,1,0,0,0,0|2,0,0]=3 225 B12R1.225 C[C@H](N)[C@H](O)C1=CC(=CC=C1)O Z2050038784 [0,1,0,0,0,0|0,0,0]=1 226 B12R1.225 NC(=O)C(N)C1=CC(=CC=C1)Br Z477338262 [0,1,0,0,0,0|2,0,1]=4 227 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)O Z1532541074 [0,1,0,0,0,0|2,0,1]=4 228 B12R1.438 C#CC1=CC=CC(=C1)NC(C)C Z334874986 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.438 CC(=O)NC1=CC(=CC=C1)CO Z28913035 [0,1,0,0,0,0|2,0,1]=4 230 B12R1.438 CC(C)NC1=CC(=CC=C1)C#N Z267355934 [0,1,0,0,0,0|3,0,0]=4 231 B12R1.438 CC(C)NC1=CC(=CC=C1)CN Z991556910 [0,1,0,0,0,0|3,0,0]=4 232 B12R1.438 CC(C)OC1=CC(=CC=C1)C#N Z54464105 [0,1,0,0,0,0|3,0,0]=4 233 B12R1.438 CC(C)OC1=CC(=CC=C1)C=O Z53836052 [0,1,0,0,0,0|2,0,1]=4 234 B12R1.438 CC(C)OC1=CC(=CC=C1)CO Z335246356 [0,1,0,0,0,0|2,0,0]=3 235 B12R1.438 CN(C)CC1=CC(=CC=C1)C#N Z103726352 [0,1,0,0,0,0|3,0,0]=4 236 B12R1.438 CN(C)CC1=CC(=CC=C1)CO Z336081030 [0,1,0,0,0,0|2,0,0]=3 237 B12R1.438 COC1=CC(=CC=C1)CC(=N)N Z951367838 [0,1,0,0,0,0|1,0,1]=3 238 B12R1.438 COC1=CC(=CC=C1)CC(=O)N Z33547068 [0,1,0,0,0,0|1,0,1]=3 239 B12R1.438 COC1=CC(=CC=C1)CC(=O)O Z104478986 [0,1,0,0,0,0|2,0,1]=4 240 B12R1.438 COC1=CC(=CC=C1)NC(=O)C Z27795266 [0,1,0,0,0,0|2,0,1]=4 241 B12R1.438 COC1=CC(=CC=C1)NC(=S)N Z56913186 [0,1,0,0,0,0|2,0,1]=4 242 B12R1.438 OCC1=CC(=CC=C1)OC(F)F Z362637578 [0,1,0,0,0,0|3,0,0]=4 243 B12R1.438 OCC1=CC(=CC=C1)SC(F)F Z992282432 [0,1,0,0,0,0|3,0,0]=4 244 B12R2.80 C[C@@H]1O[C@H]1C2=CC(=CC=C2)Cl Z2525216417 [0,0,0,1,0,0|2,0,0]=3 245 B12R2.80 NC1CC1C2=CC(=CC=C2)Br Z1266823142 [0,0,0,1,0,0|1,0,0]=2 246 B12R2.80 N[C@@H]1C[C@H]1C2=CC(=CC=C2)Cl Z2298098009 [0,0,0,1,0,0|1,0,0]=2 247 B12R2.202 CC1=C2NC(=O)CC2=CC=C1 Z1198159857 [0,0,0,1,0,0|2,0,1]=4 248 B12R2.202 CC1=CC2=C(N1)C(=CC=C2)C Z1198147838 [0,0,0,1,0,0|1,0,2]=4 249 B12R2.202 CC1=CC2=C(N1)C(=CC=C2)Cl Z1198221008 [0,0,0,1,0,0|1,0,2]=4 250 B12R2.202 CC1=CC2=C(N1)C(=CC=C2)F Z1255418917 [0,0,0,1,0,0|1,0,2]=4 251 B12R2.202 CC1CC2=C(C=CC=C2N1)Br Z5214988498 [0,0,0,1,0,0|3,0,0]=4 252 B12R2.202 CC1CC2=C(O1)C(=CC=C2)Cl Z803153168 [0,0,0,1,0,0|2,0,0]=3 253 B12R2.202 CN1CC2=C(C1)C(=CC=C2)N Z1901071433 [0,0,0,1,0,0|3,0,0]=4 254 B12R2.202 NC1=C2NC(=O)CC2=CC=C1 Z1203579747 [0,0,0,1,0,0|2,0,1]=4 255 B12R2.202 NC1=NC2=C(O1)C=CC=C2O Z1258981820 [0,0,0,1,0,0|2,0,1]=4 256 B12R2.202 O=C1CC2=C(C=CC=C2N1)O Z1198161564 [0,0,0,1,0,0|2,0,1]=4 257 B12R2.202 O=C1CC2=CC=CC(=C2N1)Br Z1269179204 [0,0,0,1,0,0|2,0,1]=4 258 B12R2.202 O=C1NC2=CC=CC(=C2N1)O Z1504677969 [0,0,0,1,0,0|2,0,1]=4 259 B12R2.606 CC1=CC2=C(C=C1)NC(=N)C2 Z4603464626 [0,0,0,1,0,0|2,0,1]=4 260 B12R2.606 CC1=CC2=C(C=C1)NC(=N2)C Z57370047 [0,0,0,1,0,0|2,0,1]=4 261 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)F Z1203162476 [0,0,0,1,0,0|1,0,2]=4 262 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)N Z361880768 [0,0,0,1,0,0|1,0,2]=4 263 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)O Z1198147837 [0,0,0,1,0,0|0,0,2]=3 264 B12R2.606 CC1=NC2=C(N1)C=CC(=C2)Br Z382823070 [0,0,0,1,0,0|2,0,1]=4 265 B12R2.606 CC1=NC2=C(N1)C=CC(=C2)O Z1255462447 [0,0,0,1,0,0|1,0,1]=3 266 B12R2.606 CC1=NC2=C(O1)C=C(C=C2)O Z1201620245 [0,0,0,1,0,0|1,0,2]=4 267 B12R2.606 CC1=NC2=C(S1)C=CC(=C2)O Z1203159861 [0,0,0,1,0,0|2,0,1]=4 268 B12R2.606 CC1CC2=C(N1)C=CC(=C2)Br Z5212090742 [0,0,0,1,0,0|1,0,0]=2 269 B12R2.606 CC1CC2=C(O1)C=CC(=C2)Br Z409451514 [0,0,0,1,0,0|2,0,0]=3 270 B12R2.606 CC1CC2=C(O1)C=CC(=C2)N Z2888802910 [0,0,0,1,0,0|2,0,0]=3 271 B12R2.606 CC1CC2=C(O1)C=CC(=C2)O Z1513815985 [0,0,0,1,0,0|1,0,0]=2 272 B12R2.606 CN1C=C2C=C(C=CC2=N1)O Z1198343475 [0,0,0,1,0,0|1,0,2]=4 273 B12R2.606 CN1CC2=C(C1)C=C(C=C2)N Z406357890 [0,0,0,1,0,0|3,0,0]=4 274 B12R2.606 NC1=CC2=C(C=C1)CC(C2)O Z1203581059 [0,0,0,1,0,0|2,0,0]=3 275 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 Z2768165443 [0,0,0,1,0,0|2,0,1]=4 276 B12R2.606 NC1=NC2=C(S1)C=CC(=C2)O Z1198155943 [0,0,0,1,0,0|2,0,1]=4 277 B12R2.606 NC1CC2=C(C1)C=C(C=C2)Br Z1741978324 [0,0,0,1,0,0|1,0,0]=2 278 B12R2.606 NC1CC2=C(C1)N=CC(=C2)Br Z3466011318 [0,0,0,1,0,0|2,0,0]=3 279 B12R2.606 O=C1CC2=C(N1)C=CC(=C2)Br Z299596076 [0,0,0,1,0,0|2,0,1]=4 280 B12R2.606 O=C1CC2=C(N1)C=CC(=C2)Cl Z104477028 [0,0,0,1,0,0|2,0,1]=4 281 B12R2.606 O=C1CC2=C(N1)C=CC(=C2)F Z1255450667 [0,0,0,1,0,0|2,0,1]=4 282 B12R2.606 O=C1CC2=C(N1)C=CC(=C2)O Z1198147431 [0,0,0,1,0,0|1,0,1]=3 283 B12R2.606 OC1=CC2=C(C=C1)CC(C2)O Z1198729229 [0,0,0,1,0,0|1,0,0]=2 284 B12R2.606 OC1CC2=C(C1)C=C(C=C2)Cl Z1489210921 [0,0,0,1,0,0|2,0,0]=3 285 B12R2.606 OC1CC2=C(C1)C=C(C=C2)F Z1862026143 [0,0,0,1,0,0|2,0,0]=3 286 B12R2.1286 ClC1=CC(=CC=C1)CC2CO2 Z1495386153 [0,0,0,1,0,0|2,0,0]=3 287 B12R2.1286 FC1=CC(=CC=C1)CC2CO2 Z1495386186 [0,0,0,1,0,0|2,0,0]=3 288 B12R2.1286 NC1=CC(=CC=C1)NC2CC2 Z376447526 [0,0,0,1,0,0|3,0,0]=4 289 B12R2.1286 OC1=CC(=CC=C1)OC2CC2 Z1255397767 [0,0,0,1,0,0|2,0,0]=3 290 B10R1.54 CC1=CC=C(S1)CC(C)N Z381678020 [0,0,0,0,1,0|2,0,0]=3 291 B10R1.54 CC1=NNC(=C1)CC(C)N Z1446874472 [0,0,0,0,1,0|3,0,0]=4 292 B10R1.113 C=C(C)C1=CC(=CC=C1)N Z1203585283 [0,0,0,0,1,0|2,0,1]=4 293 B10R1.113 CC(=O)C1=CC(=CC=C1)Br Z104472956 [0,0,0,0,1,0|2,0,1]=4 294 B10R1.113 CC(=O)C1=CC(=CC=C1)C Z104482920 [0,0,0,0,1,0|2,0,1]=4 295 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl Z104477350 [0,0,0,0,1,0|2,0,1]=4 296 B10R1.113 CC(=O)C1=CC(=CC=C1)N Z57127443 [0,0,0,0,1,0|2,0,1]=4 297 B10R1.113 CC(C)C1=CC(=CC=C1)O Z104492878 [0,0,0,0,1,0|1,0,0]=2 298 B10R1.113 CC(C)C1=CC(=NC=C1)N Z1203581683 [0,0,0,0,1,0|3,0,0]=4 299 B10R1.113 CC(C)C1=NC(=CC=N1)O Z1259335793 [0,0,0,0,1,0|3,0,0]=4 300 B10R1.113 CC(C)C1=NC=CC(=C1)N Z4438672474 [0,0,0,0,1,0|3,0,0]=4 301 B10R1.113 CC(C)C1=NC=CC(=C1)O Z1255384308 [0,0,0,0,1,0|2,0,0]=3 302 B10R1.113 CC(C)C1=NC=NC(=C1)O Z798484912 [0,0,0,0,1,0|3,0,0]=4 303 B10R1.113 CC(N)C1=CC(=CC=C1)Br Z239626864 [0,0,0,0,1,0|1,0,0]=2 304 B10R1.113 CC(N)C1=CC(=CC=C1)Cl Z56347061 [0,0,0,0,1,0|1,0,0]=2 305 B10R1.113 CC(N)C1=CC(=CC=C1)F Z56347483 [0,0,0,0,1,0|1,0,0]=2 306 B10R1.113 CC(N)C1=CC(=CC=C1)O Z426041632 [0,0,0,0,1,0|0,0,0]=1 307 B10R1.113 CC(N)C1=NC(=CC=N1)N Z2235681416 [0,0,0,0,1,0|3,0,0]=4 308 B10R1.113 CC(N)C1=NC=CC(=C1)Br Z4573023597 [0,0,0,0,1,0|2,0,0]=3 309 B10R1.113 CC(N)C1=NC=CC(=O)N1 Z4965854730 [0,0,0,0,1,0|2,0,1]=4 310 B10R1.113 CC(O)C1=CC(=CC=C1)Cl Z335244960 [0,0,0,0,1,0|2,0,0]=3 311 B10R1.113 CC(O)C1=CC(=CC=C1)F Z335245218 [0,0,0,0,1,0|2,0,0]=3 312 B10R1.113 CC(O)C1=CC(=CC=C1)O Z335245176 [0,0,0,0,1,0|1,0,0]=2 313 B10R1.113 CC(O)C1=CC(=CN=C1)F Z823275188 [0,0,0,0,1,0|3,0,0]=4 314 B10R1.113 CC1=CC(=CC=C1)C(=N)N Z2471262589 [0,0,0,0,1,0|2,0,1]=4 315 B10R1.113 CC1=CC(=CC=C1)C(=O)N Z33546925 [0,0,0,0,1,0|2,0,1]=4 316 B10R1.113 CC1=CC(=CC=C1)C(=S)N Z90122768 [0,0,0,0,1,0|2,0,1]=4 317 B10R1.113 CC1=CC=CC(=C1)C(C)N Z2284390656 [0,0,0,0,1,0|1,0,0]=2 318 B10R1.113 CC1=CC=CC(=C1)C(C)O Z445987122 [0,0,0,0,1,0|2,0,0]=3 319 B10R1.113 CC1=CC=CC(=C1)[C@@H](C)N Z1626921284 [0,0,0,0,1,0|1,0,0]=2 320 B10R1.113 CC1=CC=CC(=C1)[C@@H](C)O Z1127664487 [0,0,0,0,1,0|2,0,0]=3 321 B10R1.113 CC1=CC=CC(=C1)[C@H](C)N Z1626921239 [0,0,0,0,1,0|1,0,0]=2 322 B10R1.113 CC1=CC=CC(=C1)[C@H](C)O Z1127664373 [0,0,0,0,1,0|2,0,0]=3 323 B10R1.113 CC1=CC=CC(=N1)[C@@H](C)N Z1492797078 [0,0,0,0,1,0|2,0,0]=3 324 B10R1.113 CC1=CC=NC(=N1)C(C)N Z2257510671 [0,0,0,0,1,0|3,0,0]=4 325 B10R1.113 CN(C)C1=CC(=CC=C1)F Z1201621444 [0,0,0,0,1,0|3,0,0]=4 326 B10R1.113 CS(=O)C1=CC(=CC=C1)N Z609980392 [0,0,0,0,1,0|3,0,0]=4 327 B10R1.113 C[C@@H](O)C1=CC(=CC=C1)Br Z803153182 [0,0,0,0,1,0|2,0,0]=3 328 B10R1.113 C[C@@H](O)C1=CC(=CC=C1)Cl Z360055382 [0,0,0,0,1,0|2,0,0]=3 329 B10R1.113 C[C@@H](O)C1=CC(=CC=C1)O Z959151708 [0,0,0,0,1,0|1,0,0]=2 330 B10R1.113 C[C@H](O)C1=CC(=CC=C1)Br Z803153180 [0,0,0,0,1,0|2,0,0]=3 331 B10R1.113 C[C@H](O)C1=CC(=CC=C1)Cl Z360055386 [0,0,0,0,1,0|2,0,0]=3 332 B10R1.113 C[C@H](O)C1=CC(=CC=C1)O Z959151706 [0,0,0,0,1,0|1,0,0]=2 333 B10R1.113 N=C(N)C1=CC(=CC=C1)Br Z1741973354 [0,0,0,0,1,0|2,0,1]=4 334 B10R1.113 N=C(N)C1=CC(=CC=C1)Cl Z1362754541 [0,0,0,0,1,0|2,0,1]=4 335 B10R1.113 N=C(N)C1=CC(=CC=C1)F Z1263714076 [0,0,0,0,1,0|2,0,1]=4 336 B10R1.113 N=C(N)C1=CC(=CC=C1)O Z1592024758 [0,0,0,0,1,0|1,0,1]=3 337 B10R1.113 NC(=O)C1=CC(=CC=C1)Br Z33546517 [0,0,0,0,1,0|2,0,1]=4 338 B10R1.113 NC(=O)C1=CC(=CC=C1)Cl Z33546479 [0,0,0,0,1,0|2,0,1]=4 339 B10R1.113 NC(=O)C1=CC(=CC=C1)I Z33546647 [0,0,0,0,1,0|2,0,1]=4 340 B10R1.113 NC(=O)C1=CC(=CC=C1)N Z118530082 [0,0,0,0,1,0|2,0,1]=4 341 B10R1.113 NC(=O)C1=CC(=CC=C1)O Z33546460 [0,0,0,0,1,0|1,0,1]=3 342 B10R1.113 NC(=O)C1=CC(=CC=C1)S Z1255359534 [0,0,0,0,1,0|1,1,1]=4 343 B10R1.113 NC(=O)C1=CC(=CN=C1)O Z1160905298 [0,0,0,0,1,0|2,0,1]=4 344 B10R1.113 NC(=S)C1=CC(=CC=C1)Br Z56985752 [0,0,0,0,1,0|2,0,1]=4 345 B10R1.113 NC(=S)C1=CC(=CC=C1)Cl Z56979368 [0,0,0,0,1,0|2,0,1]=4 346 B10R1.113 NC(=S)C1=CC(=CC=C1)F Z56979300 [0,0,0,0,1,0|2,0,1]=4 347 B10R1.113 NC1=CC(=CC=C1)C(F)F Z991556368 [0,0,0,0,1,0|3,0,0]=4 348 B10R1.113 O=C(O)C1=CC(=CC=C1)O Z56919254 [0,0,0,0,1,0|2,0,1]=4 349 B10R1.113 O=[N+]([O-])C1=CC=CC(=C1)O Z57160187 [0,0,0,0,1,0|3,0,0]=4 350 B10R1.113 OB(O)C1=CC(=CC=C1)O Z336080002 [0,0,0,0,1,0|3,0,0]=4 351 B10R1.113 OC1=CC(=CN=C1)C(F)F Z1551924687 [0,0,0,0,1,0|3,0,0]=4 352 B10R1.113 OC1=NC(=CC=C1)C(F)F Z3243590355 [0,0,0,0,1,0|3,0,0]=4 353 B12R1.226 CC(=O)CCC1=CC(=CC=C1)C Z406376778 [0,0,0,0,0,1|2,0,1]=4 354 B12R1.226 CC(=O)CCC1=CC(=CC=C1)F Z406376716 [0,0,0,0,0,1|2,0,1]=4 355 B12R1.226 CC(=O)NCC1=CC(=CC=C1)Br Z340632658 [0,0,0,0,0,1|2,0,1]=4 356 B12R1.226 CC(=O)NCC1=CC(=CC=C1)F Z340527618 [0,0,0,0,0,1|2,0,1]=4 357 B12R1.226 CC(C)CNC1=CC(=CC=C1)Cl Z2236582079 [0,0,0,0,0,1|2,0,0]=3 358 B12R1.226 CC(C)CNC1=CC(=CC=C1)O Z335562026 [0,0,0,0,0,1|1,0,0]=2 359 B12R1.226 CC(C)COC1=CC(=CC=C1)N Z223656242 [0,0,0,0,0,1|2,0,0]=3 360 B12R1.226 CC(C)CSC1=CC(=CN=C1)O Z2182038538 [0,0,0,0,0,1|2,0,0]=3 361 B12R1.226 CC(C)NCC1=CC(=CC=C1)Br Z86129864 [0,0,0,0,0,1|2,0,0]=3 362 B12R1.226 CC(C)NCC1=CC(=CC=C1)Cl Z86129878 [0,0,0,0,0,1|2,0,0]=3 363 B12R1.226 CC(C)NCC1=CC(=CC=C1)F Z86129899 [0,0,0,0,0,1|2,0,0]=3 364 B12R1.226 CC(C)OCC1=CC(=CC=C1)Br Z823855536 [0,0,0,0,0,1|2,0,0]=3 365 B12R1.226 CC(C)OCC1=CC(=CC=C1)N Z285178238 [0,0,0,0,0,1|2,0,0]=3 366 B12R1.226 CC(C)SCC1=CC(=CC=C1)N Z600446400 [0,0,0,0,0,1|2,0,0]=3 367 B12R1.226 CC(N)CCC1=CC(=CC=C1)F Z406452418 [0,0,0,0,0,1|1,0,0]=2 368 B12R1.226 CC(N)COC1=CC(=CC=C1)F Z271017410 [0,0,0,0,0,1|1,0,0]=2 369 B12R1.226 CC(O)CNC1=CC(=CN=C1)Br Z1272133912 [0,0,0,0,0,1|3,0,0]=4 370 B12R1.226 CC(O)COC1=CC(=CC=C1)F Z854226860 [0,0,0,0,0,1|2,0,0]=3 371 B12R1.226 CC1=CC(=CC=C1)CCC(=O)N Z194976514 [0,0,0,0,0,1|2,0,1]=4 372 B12R1.226 CC1=CC(=CC=C1)CNC(=S)N Z847147370 [0,0,0,0,0,1|2,0,1]=4 373 B12R1.226 CC1=CC(=CC=C1)CSC(=N)N Z57992123 [0,0,0,0,0,1|2,0,1]=4 374 B12R1.226 CC1=CC(=CC=C1)NCC(=O)N Z104589324 [0,0,0,0,0,1|2,0,1]=4 375 B12R1.226 CC1=CC(=CC=C1)OCC(=O)N Z19732960 [0,0,0,0,0,1|2,0,1]=4 376 B12R1.226 CC1=CC=CC(=C1)OCC(C)N Z271016790 [0,0,0,0,0,1|1,0,0]=2 377 B12R1.226 CC1=NC=CC(=C1)NCC(C)C Z1702863564 [0,0,0,0,0,1|3,0,0]=4 378 B12R1.226 C[C@@H](O)CNC1=CC(=CN=C1)Br Z1564029648 [0,0,0,0,0,1|3,0,0]=4 379 B12R1.226 C[C@H](O)CNC1=CC(=CN=C1)Br Z1564017299 [0,0,0,0,0,1|3,0,0]=4 380 B12R1.226 FC(F)CNC1=CC(=CC=C1)Cl Z608352346 [0,0,0,0,0,1|3,0,0]=4 381 B12R1.226 FC(F)COC1=CC(=CC=C1)Br Z608352774 [0,0,0,0,0,1|3,0,0]=4 382 B12R1.226 N=C(N)SCC1=CC(=CC=C1)F Z48820172 [0,0,0,0,0,1|2,0,1]=4 383 B12R1.226 NC(=O)CCC1=CC(=CC=C1)N Z414316850 [0,0,0,0,0,1|2,0,1]=4 384 B12R1.226 NC(=O)CNC1=CC(=CC=C1)Br Z104587998 [0,0,0,0,0,1|2,0,1]=4 385 B12R1.226 NC(=O)CNC1=CC(=CC=C1)F Z104640682 [0,0,0,0,0,1|2,0,1]=4 386 B12R1.226 NC(=O)COC1=CC(=CC=C1)F Z19755608 [0,0,0,0,0,1|2,0,1]=4 387 B12R1.226 NC(=O)COC1=CC(=CC=C1)I Z25076202 [0,0,0,0,0,1|2,0,1]=4 388 B12R1.226 NC(=O)COC1=CC(=CC=C1)N Z235344273 [0,0,0,0,0,1|2,0,1]=4 389 B12R1.226 NC(=O)COC1=CC(=CC=C1)O Z381415558 [0,0,0,0,0,1|1,0,1]=3 390 B12R1.226 NC(=O)NCC1=CC(=CC=C1)F Z362629554 [0,0,0,0,0,1|2,0,1]=4 391 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [0,0,0,0,0,1|2,0,1]=4 392 B12R1.226 O=C(O)CSC1=CC(=CC=C1)O Z1262555002 [0,0,0,0,0,1|2,0,1]=4 393 B9R1.2 CC1=CC(=CC=C1)NN Z56943685 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.2 CC1=CC(=CN=C1)CN Z1198167984 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.2 CC1=NC(=CC=C1)CN Z291234028 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.2 CCC1=CC(=CC=C1)Br Z1201619408 [2,0,0,0,0,0|1,0,0]=3 397 B9R1.2 CCC1=CC(=CC=C1)N Z104478688 [2,0,0,0,0,0|1,0,0]=3 398 B9R1.2 CCC1=NC(=CC=C1)C Z1255485781 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.2 CCC1=NC=NC(=C1)O Z798251110 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.2 CC[N+]1=CC(=CC=C1)O Z2168499555 [2,0,0,0,0,0|1,0,0]=3 401 B9R1.2 CNC1=CC(=CC=C1)F Z335274194 [2,0,0,0,0,0|2,0,0]=4 402 B9R1.2 CNC1=CC(=CC=C1)I Z4085232023 [2,0,0,0,0,0|2,0,0]=4 403 B9R1.2 CNC1=CC(=CC=C1)N Z376447548 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.2 CNC1=CC(=CC=C1)O Z1082872246 [2,0,0,0,0,0|1,0,0]=3 405 B9R1.2 COC1=CC(=CC=C1)C Z53834440 [2,0,0,0,0,0|2,0,0]=4 406 B9R1.2 COC1=CC(=CC=C1)N Z104472536 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.2 COC1=CC(=CC=C1)O Z104478798 [2,0,0,0,0,0|1,0,0]=3 408 B9R1.2 COC1=NC(=CC=C1)O Z1198172138 [2,0,0,0,0,0|2,0,0]=4 409 B9R1.2 CSC1=CC(=CC=C1)N Z104472758 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.2 CSC1=NC=CC(=C1)O Z1255421960 [2,0,0,0,0,0|2,0,0]=4 411 B9R1.2 N#CC1=CC=CC(=C1)O Z56969327 [2,0,0,0,0,0|0,0,2]=4 412 B9R1.2 NCC1=CC(=CC=C1)Br Z1262246228 [2,0,0,0,0,0|1,0,0]=3 413 B9R1.2 NCC1=CC(=CC=C1)I Z1269220799 [2,0,0,0,0,0|1,0,0]=3 414 B9R1.2 NCC1=CC(=CC=C1)O Z744729056 [2,0,0,0,0,0|0,0,0]=2 415 B9R1.2 NCC1=CC(=CN=C1)Br Z2692250391 [2,0,0,0,0,0|2,0,0]=4 416 B9R1.2 NCC1=CC(=CN=C1)Cl Z3244925674 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.2 NCC1=CC(=CN=C1)O Z2310701794 [2,0,0,0,0,0|1,0,0]=3 418 B9R1.2 NCC1=NC(=CC=C1)N Z2310698959 [2,0,0,0,0,0|2,0,0]=4 419 B9R1.2 NCC1=NC=CC(=C1)Cl Z1198173013 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.2 NCC1=NC=CC(=C1)N Z2310678270 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.2 NCC1=NC=NC(=C1)O Z2511806596 [2,0,0,0,0,0|2,0,0]=4 422 B9R1.2 NNC1=CC(=CC=C1)Br Z118530090 [2,0,0,0,0,0|2,0,0]=4 423 B9R1.2 NNC1=CC(=CC=C1)Cl Z56940998 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.2 O=CC1=CC=CC(=C1)O Z57772446 [2,0,0,0,0,0|1,0,1]=4 425 B9R1.2 OC1=CC(=CC=C1)CCl Z1198169502 [2,0,0,0,0,0|1,0,0]=3 426 B9R1.2 OCC1=CC(=CC=C1)Br Z335244752 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.2 OCC1=CC(=CC=C1)Cl Z212055560 [2,0,0,0,0,0|2,0,0]=4 428 B9R1.2 OCC1=CC(=CC=C1)F Z104477458 [2,0,0,0,0,0|2,0,0]=4 429 B9R1.2 OCC1=CC(=CC=C1)O Z335245000 [2,0,0,0,0,0|1,0,0]=3 430 B9R1.2 OCC1=NC(=CC=C1)O Z1198343459 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [2,0,0,0,0,0|0,0,0]=2 432 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [2,0,0,0,0,0|1,0,0]=3 433 B9R1.8 CCCC1=NN=CC=C1 Z1486025396 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.8 CCNC1=CC=CC=C1 Z104472482 [2,0,0,0,0,0|1,0,0]=3 435 B9R1.8 CCNC1=CC=NC=C1 Z359297730 [2,0,0,0,0,0|2,0,0]=4 436 B9R1.8 CCNC1=CN=CC=C1 Z334882416 [2,0,0,0,0,0|2,0,0]=4 437 B9R1.8 CCSC1=CC=NC=C1 Z1376454759 [2,0,0,0,0,0|2,0,0]=4 438 B9R1.8 CNCC1=CC=NC=C1 Z57390007 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.8 CNCC1=CN=CC=C1 Z56963341 [2,0,0,0,0,0|2,0,0]=4 440 B9R1.8 CSCC1=CN=CC=C1 Z599631354 [2,0,0,0,0,0|2,0,0]=4 441 B9R1.8 NCCC1=CC=NC=C1 Z241056520 [2,0,0,0,0,0|1,0,0]=3 442 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [2,0,0,0,0,0|1,0,0]=3 443 B9R1.8 NCCC1=CN=NC=C1 Z3070743015 [2,0,0,0,0,0|2,0,0]=4 444 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [2,0,0,0,0,0|1,0,0]=3 445 B9R1.8 NCCC1=NC=CN=C1 Z1925930460 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.8 NCCC1=NC=NC=C1 Z2935002210 [2,0,0,0,0,0|2,0,0]=4 447 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [2,0,0,0,0,0|1,0,0]=3 448 B9R1.8 NNCC1=CN=CC=C1 Z370706826 [2,0,0,0,0,0|2,0,0]=4 449 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [2,0,0,0,0,0|1,0,0]=3 450 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [2,0,0,0,0,0|1,0,1]=4 451 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [2,0,0,0,0,0|1,0,0]=3 452 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [2,0,0,0,0,0|2,0,0]=4 453 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [2,0,0,0,0,0|2,0,0]=4 454 B11R1.13 C=CCC1=CC=CC(=C1O)O Z56778453 [1,1,0,0,0,0|0,0,2]=4 455 B11R1.13 CC1=C(C(=CC=C1)CCN)C Z4927171483 [1,1,0,0,0,0|1,0,0]=3 456 B11R1.13 CCNC1=C(C(=CC=C1)C)C Z286511134 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.13 CCNC1=C(C(=CC=C1)C)F Z1599211198 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.13 CCNC1=C(C(=CC=C1)Cl)C Z286519066 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.13 CCNC1=C(C(=CC=C1)Cl)Cl Z1824511180 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.13 CCOC1=C(C(=CC=C1)F)Cl Z1726058748 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.13 CCSC1=C(C(=CC=C1)F)N Z451393782 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.13 CNCC1=C(C(=CC=C1)Br)O Z4658970144 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.13 CNCC1=C(C(=CC=C1)Cl)F Z3013893037 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.13 CNCC1=C(C(=CC=C1)F)F Z4658970152 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.13 CSCC1=C(C(=CC=C1)N)C Z732207424 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.13 NCCC1=C(C(=CC=C1)Br)O Z1953500453 [1,1,0,0,0,0|1,0,0]=3 467 B11R1.13 NCCC1=C(C(=CC=C1)Cl)Cl Z444350066 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.13 NCCC1=C(C(=CC=C1)Cl)F Z3301588304 [1,1,0,0,0,0|1,0,0]=3 469 B11R1.13 NCCC1=C(C(=CC=C1)F)Cl Z4926042702 [1,1,0,0,0,0|1,0,0]=3 470 B11R1.13 NCCC1=C(C(=CC=C1)F)F Z1267773780 [1,1,0,0,0,0|1,0,0]=3 471 B11R1.13 OCCC1=C(C(=CC=C1)F)F Z1183459328 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.23 CC(CN)C1=CC(=CC=C1)Br Z5094147873 [1,1,0,0,0,0|1,0,0]=3 473 B11R1.23 CC(CN)C1=CC(=CC=C1)F Z415654914 [1,1,0,0,0,0|1,0,0]=3 474 B11R1.23 CC(CN)C1=CC=CC(=O)N1 Z4656721256 [1,1,0,0,0,0|1,0,1]=4 475 B11R1.23 CC(CO)C1=CC(=CC=C1)Br Z1269177166 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.23 CC(CO)C1=CC(=CC=C1)Cl Z1222424631 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.23 CC1=CC(=CC=C1)C(=O)CN Z3026469451 [1,1,0,0,0,0|1,0,1]=4 478 B11R1.23 CC1=CC(=CC=C1)C(O)CN Z336086464 [1,1,0,0,0,0|1,0,0]=3 479 B11R1.23 CCC(=O)C1=CC(=CC=C1)Br Z104486266 [1,1,0,0,0,0|1,0,1]=4 480 B11R1.23 CCC(=O)C1=CC(=CC=C1)Cl Z104477758 [1,1,0,0,0,0|1,0,1]=4 481 B11R1.23 CCC(=O)C1=CC(=CC=C1)N Z1203578334 [1,1,0,0,0,0|1,0,1]=4 482 B11R1.23 CCC(N)C1=CC(=CC=C1)Cl Z239627026 [1,1,0,0,0,0|1,0,0]=3 483 B11R1.23 CCC(N)C1=CC(=CC=C1)O Z4164634595 [1,1,0,0,0,0|0,0,0]=2 484 B11R1.23 CCC(N)C1=NC(=CC=C1)C Z4457910024 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.23 CCC(O)C1=CC(=CC=C1)Br Z228586280 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.23 CCC(O)C1=CC(=CC=C1)Cl Z335245132 [1,1,0,0,0,0|1,0,0]=3 487 B11R1.23 CCC(O)C1=CC(=CC=C1)N Z1262626036 [1,1,0,0,0,0|1,0,0]=3 488 B11R1.23 CNC(=O)C1=CC(=CC=C1)O Z32016364 [1,1,0,0,0,0|1,0,1]=4 489 B11R1.23 CNC(C)C1=CC(=CC=C1)Cl Z159528162 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.23 CNC(C)C1=CC(=CC=C1)O Z1266854844 [1,1,0,0,0,0|1,0,0]=3 491 B11R1.23 COC(C)C1=CC(=CC=C1)N Z801781454 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.23 CSC(C)C1=CC(=CC=C1)N Z801781922 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.23 NC(CF)C1=CC(=CC=C1)Br Z3210128314 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.23 NC(CF)C1=CC(=CC=C1)Cl Z3445798142 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.23 NC(CF)C1=CC(=CC=C1)F Z3681214901 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.23 NC(CO)C1=CC(=CC=C1)Br Z1438483917 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.23 NC(CO)C1=CC(=CC=C1)Cl Z1695784092 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.23 NC(CO)C1=CC(=CC=C1)F Z1268152384 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.23 NC(CO)C1=CC(=CC=C1)I Z3605387233 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.23 NC(CO)C1=CC(=CC=C1)O Z3247611804 [1,1,0,0,0,0|1,0,0]=3 501 B11R1.23 NC1=CC(=CC=C1)C(O)CO Z970072128 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.23 NCC(=O)C1=CC(=CC=C1)Br Z275368900 [1,1,0,0,0,0|1,0,1]=4 503 B11R1.23 NCC(=O)C1=CC(=CC=C1)Cl Z1741966377 [1,1,0,0,0,0|1,0,1]=4 504 B11R1.23 NCC(=O)C1=CC(=CC=C1)F Z3025863838 [1,1,0,0,0,0|1,0,1]=4 505 B11R1.23 NCC(O)C1=CC(=CC=C1)Cl Z330910384 [1,1,0,0,0,0|1,0,0]=3 506 B11R1.23 NCC(O)C1=CC(=CC=C1)O Z3041501762 [1,1,0,0,0,0|0,0,0]=2 507 B11R1.23 NNC(=O)C1=CC(=CC=C1)O Z56930730 [1,1,0,0,0,0|1,0,1]=4 508 B11R1.24 BrCCOC1=CC(=CC=C1)Br Z56886268 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.24 C#CCOC1=CC=CC(=C1)O Z381415784 [1,1,0,0,0,0|0,0,2]=4 510 B11R1.24 C=CCCC1=CC=CC(=C1)Br Z1269162615 [1,1,0,0,0,0|1,0,1]=4 511 B11R1.24 CC1=CC(=CC=C1)CCCN Z4993130622 [1,1,0,0,0,0|1,0,0]=3 512 B11R1.24 CC1=CC(=CC=C1)CCCO Z979436642 [1,1,0,0,0,0|1,0,0]=3 513 B11R1.24 CC1=CC(=CC=C1)OCCBr Z56886266 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.24 CC1=CC(=CC=C1)OCCN Z85926240 [1,1,0,0,0,0|1,0,0]=3 515 B11R1.24 CC1=CC(=CN=C1)CCCO Z1216820424 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.24 CC1=NC(=CC=C1)CCCO Z104479712 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.24 CC1=NC(=CC=C1)NCCN Z1267773738 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.24 CCCOC1=CC(=CC=C1)Br Z54848718 [1,1,0,0,0,0|1,0,0]=3 519 B11R1.24 CCCOC1=CC(=CC=C1)N Z239604770 [1,1,0,0,0,0|1,0,0]=3 520 B11R1.24 CCCOC1=CC(=CC=C1)O Z381415572 [1,1,0,0,0,0|0,0,0]=2 521 B11R1.24 CCNCC1=CC(=CC=C1)Br Z1138763375 [1,1,0,0,0,0|1,0,0]=3 522 B11R1.24 CCNCC1=CC(=CC=C1)C Z90513252 [1,1,0,0,0,0|1,0,0]=3 523 B11R1.24 CCNCC1=CC(=CC=C1)Cl Z90513201 [1,1,0,0,0,0|1,0,0]=3 524 B11R1.24 CCNCC1=CC(=CC=C1)F Z85935746 [1,1,0,0,0,0|1,0,0]=3 525 B11R1.24 CCNCC1=CC(=CN=C1)Br Z3244742192 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.24 CCNCC1=NC(=CC=C1)C Z385447500 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.24 CCOCC1=CC(=CC=C1)N Z285163820 [1,1,0,0,0,0|1,0,0]=3 528 B11R1.24 CCSCC1=CC(=CC=C1)N Z332378038 [1,1,0,0,0,0|1,0,0]=3 529 B11R1.24 CNCCC1=CC(=CC=C1)Br Z2168282744 [1,1,0,0,0,0|1,0,0]=3 530 B11R1.24 CNCCC1=CC(=CC=C1)O Z4924737523 [1,1,0,0,0,0|0,0,0]=2 531 B11R1.24 CNCCC1=NC(=CC=N1)O Z3023572741 [1,1,0,0,0,0|2,0,0]=4 532 B11R1.24 COCCC1=CC(=CC=C1)O Z1513911027 [1,1,0,0,0,0|0,0,0]=2 533 B11R1.24 COCCC1=CC(=NC=C1)N Z1333211037 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.24 N#CCOC1=CC=CC(=C1)O Z381415714 [1,1,0,0,0,0|0,0,2]=4 535 B11R1.24 NC1=CC(=CC=C1)CCCO Z1198265859 [1,1,0,0,0,0|1,0,0]=3 536 B11R1.24 NC1=CC(=CC=C1)OCCF Z1262657442 [1,1,0,0,0,0|2,0,0]=4 537 B11R1.24 NCC#CC1=CC(=CC=C1)F Z2004547701 [1,1,0,0,0,0|1,0,1]=4 538 B11R1.24 NCCCC1=CC(=CC=C1)Br Z1266823414 [1,1,0,0,0,0|1,0,0]=3 539 B11R1.24 NCCCC1=CC(=CC=C1)Cl Z1262246154 [1,1,0,0,0,0|1,0,0]=3 540 B11R1.24 NCCCC1=CC(=CC=C1)F Z424782946 [1,1,0,0,0,0|1,0,0]=3 541 B11R1.24 NCCCC1=CC(=CC=C1)O Z1895582955 [1,1,0,0,0,0|0,0,0]=2 542 B11R1.24 NCCCC1=CC(=CN=C1)F Z4446765955 [1,1,0,0,0,0|2,0,0]=4 543 B11R1.24 NCCOC1=CC(=CC=C1)Br Z744843646 [1,1,0,0,0,0|1,0,0]=3 544 B11R1.24 NCCOC1=CC(=CC=C1)Cl Z425484860 [1,1,0,0,0,0|1,0,0]=3 545 B11R1.24 NCCOC1=CC(=CC=C1)F Z381785786 [1,1,0,0,0,0|1,0,0]=3 546 B11R1.24 O=CCCC1=CC=CC(=C1)Cl Z993017744 [1,1,0,0,0,0|1,0,1]=4 547 B11R1.24 O=CCCC1=CC=CC(=C1)F Z993017622 [1,1,0,0,0,0|1,0,1]=4 548 B11R1.24 OCCNC1=CC(=CC=C1)F Z335274246 [1,1,0,0,0,0|2,0,0]=4 549 B11R1.24 OCCOC1=CC(=CC=C1)Br Z335092356 [1,1,0,0,0,0|2,0,0]=4 550 B11R1.24 OCCOC1=CC(=CC=C1)Cl Z149166432 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.34 CC1=NC(=CC(=C1)CCN)O Z4705455739 [1,1,0,0,0,0|1,0,0]=3 552 B11R1.34 CC1=NC(=CC(=N1)O)CCN Z5085493722 [1,1,0,0,0,0|2,0,0]=4 553 B11R1.34 CCCC1=CC(=CC(=C1)O)O Z367653796 [1,1,0,0,0,0|0,0,0]=2 554 B11R1.34 CCNC1=CC(=CC(=C1)C)C Z744729060 [1,1,0,0,0,0|2,0,0]=4 555 B11R1.34 CCOC1=CC(=CC(=C1)N)Br Z4655392517 [1,1,0,0,0,0|2,0,0]=4 556 B11R1.34 CNCC1=CC(=CC(=C1)Cl)Cl Z385447076 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.34 CNCC1=CC(=CC(=C1)F)Cl Z5510277945 [1,1,0,0,0,0|2,0,0]=4 558 B11R1.34 N#CCC1=CC(=CC(=C1)O)Br Z1269231080 [1,1,0,0,0,0|0,0,2]=4 559 B11R1.34 NCCC1=CC(=CC(=C1)Cl)Br Z2792040945 [1,1,0,0,0,0|1,0,0]=3 560 B11R1.34 NCCC1=CC(=CC(=C1)Cl)Cl Z452428348 [1,1,0,0,0,0|1,0,0]=3 561 B11R1.34 NCCC1=CC(=CC(=C1)F)Br Z4607596589 [1,1,0,0,0,0|1,0,0]=3 562 B11R1.34 NCCC1=CC(=CC(=C1)F)F Z905065808 [1,1,0,0,0,0|1,0,0]=3 563 B11R1.34 NCCC1=CC(=CC(=C1)O)F Z2902196615 [1,1,0,0,0,0|0,0,0]=2 564 B11R1.34 NCCC1=NC(=NC(=C1)O)N Z5385150450 [1,1,0,0,0,0|2,0,0]=4 565 B11R1.34 NCCC1=NC(=NC(=C1)O)S Z5262227277 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.34 OCCC1=CC(=CC(=C1)Br)Br Z1269184216 [1,1,0,0,0,0|2,0,0]=4 567 B11R1.34 OCCC1=CC(=CC(=C1)Cl)Cl Z1201623278 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.34 OCCC1=CC(=CC(=C1)O)Cl Z2237647506 [1,1,0,0,0,0|1,0,0]=3 569 B11R1.182 CC1=C(C=C(C=C1)F)CCN Z4751180899 [1,1,0,0,0,0|1,0,0]=3 570 B11R1.182 CCNC1=C(C=CC(=C1)Br)N Z1259174161 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.182 CCNC1=C(C=CC(=C1)C)C Z752370990 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.182 CCNC1=C(C=CC(=C1)C)F Z362623226 [1,1,0,0,0,0|2,0,0]=4 573 B11R1.182 CCNC1=C(C=CC(=C1)Cl)N Z3248177417 [1,1,0,0,0,0|2,0,0]=4 574 B11R1.182 CCNC1=C(C=CC(=C1)F)N Z979730344 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.182 CCOC1=C(C=CC(=C1)Br)Cl Z428710892 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.182 CCOC1=C(C=CC(=C1)Br)N Z1259175664 [1,1,0,0,0,0|2,0,0]=4 577 B11R1.182 CCOC1=C(C=CC(=C1)C)N Z295458012 [1,1,0,0,0,0|2,0,0]=4 578 B11R1.182 CCOC1=C(C=CC(=C1)Cl)N Z972871026 [1,1,0,0,0,0|2,0,0]=4 579 B11R1.182 CCOC1=C(C=CC(=C1)F)N Z240869730 [1,1,0,0,0,0|2,0,0]=4 580 B11R1.182 CCOC1=C(C=CC(=C1)O)N Z1837073495 [1,1,0,0,0,0|1,0,0]=3 581 B11R1.182 CCSC1=C(C=CC(=C1)Br)N Z1259175915 [1,1,0,0,0,0|2,0,0]=4 582 B11R1.182 CNCC1=C(C=CC(=C1)Br)F Z1262250889 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.182 CNCC1=C(C=CC(=C1)C)C Z4243490762 [1,1,0,0,0,0|2,0,0]=4 584 B11R1.182 CNCC1=C(C=CC(=C1)Cl)Br Z4670285096 [1,1,0,0,0,0|2,0,0]=4 585 B11R1.182 CNCC1=C(C=CC(=C1)Cl)C Z4925996401 [1,1,0,0,0,0|2,0,0]=4 586 B11R1.182 CNCC1=C(C=CC(=C1)Cl)Cl Z5390405610 [1,1,0,0,0,0|2,0,0]=4 587 B11R1.182 CNCC1=C(C=CC(=C1)Cl)F Z4658970150 [1,1,0,0,0,0|2,0,0]=4 588 B11R1.182 CNCC1=C(C=CC(=C1)F)Br Z1875111390 [1,1,0,0,0,0|2,0,0]=4 589 B11R1.182 CNCC1=C(C=CC(=C1)F)C Z1878107281 [1,1,0,0,0,0|2,0,0]=4 590 B11R1.182 COCC1=C(C=CC(=C1)F)N Z2472857186 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.182 COCC1=C(C=CC(=C1)N)Cl Z394691692 [1,1,0,0,0,0|2,0,0]=4 592 B11R1.182 COCC1=C(C=CC(=C1)O)N Z1262683212 [1,1,0,0,0,0|1,0,0]=3 593 B11R1.182 NCCC1=C(C=CC(=C1)Br)F Z285143732 [1,1,0,0,0,0|1,0,0]=3 594 B11R1.182 NCCC1=C(C=CC(=C1)Cl)Br Z1474026680 [1,1,0,0,0,0|1,0,0]=3 595 B11R1.182 NCCC1=C(C=CC(=C1)Cl)Cl Z1268152320 [1,1,0,0,0,0|1,0,0]=3 596 B11R1.182 NCCC1=C(C=CC(=C1)F)Br Z3681530426 [1,1,0,0,0,0|1,0,0]=3 597 B11R1.182 NCCC1=C(C=CC(=C1)F)Cl Z4668068102 [1,1,0,0,0,0|1,0,0]=3 598 B11R1.182 NCCC1=C(C=CC(=C1)F)F Z415635654 [1,1,0,0,0,0|1,0,0]=3 599 B11R1.182 NCCC1=C(C=CC(=C1)O)Br Z3376089277 [1,1,0,0,0,0|0,0,0]=2 600 B11R1.182 NCCN1C=C(C=CC1=O)Br Z2235330324 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.182 OCCC1=C(C=CC(=C1)Br)O Z1269218042 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.189 C#CC1=CC=CC(=C1)NCC Z334875120 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.189 CCC1=CC(=CC=C1)CNC Z6010478687 [1,1,0,0,0,0|2,0,0]=4 604 B11R1.189 CCCC1=CC(=CC=C1)C=O Z1216844686 [1,1,0,0,0,0|0,0,1]=3 605 B11R1.189 CCNC1=CC(=CC=C1)CC Z5510285279 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.189 CCNC1=CC(=CC=C1)CO Z234896397 [1,1,0,0,0,0|1,0,0]=3 607 B11R1.189 CCNC1=CC(=CC=C1)OC Z286367386 [1,1,0,0,0,0|1,0,0]=3 608 B11R1.189 CCOC1=CC(=CC=C1)C#N Z54464104 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.189 CCOC1=CC(=CC=C1)C=O Z53836051 [1,1,0,0,0,0|1,0,1]=4 610 B11R1.189 CCOC1=CC(=CC=C1)CN Z239604652 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.189 CCOC1=CC(=CN=C1)CO Z1522534006 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.189 CCOC1=NC(=CC=C1)CO Z969097698 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.189 CCSC1=CC(=CC=C1)C#N Z1362472509 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.189 CCSC1=CC(=CC=C1)C=O Z1274324472 [1,1,0,0,0,0|1,0,1]=4 615 B11R1.189 CNCC1=CC(=CC=C1)C#N Z138108940 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.189 CNCC1=CC(=CC=C1)OC Z56939284 [1,1,0,0,0,0|1,0,0]=3 617 B11R1.189 CNCC1=CC(=CN=C1)OC Z1255362175 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.189 CNCC1=CC(=NC=C1)OC Z5851214102 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.189 CNCC1=NC(=CC=C1)OC Z4595018713 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.189 COC1=CC(=CC=C1)CC#N Z285184582 [1,1,0,0,0,0|0,0,2]=4 621 B11R1.189 COC1=CC(=CC=C1)CCN Z285143778 [1,1,0,0,0,0|0,0,0]=2 622 B11R1.189 COC1=NC(=CC=C1)CCN Z1139189688 [1,1,0,0,0,0|1,0,0]=3 623 B11R1.189 COC1=NC(=NC=C1)CCN Z3678332979 [1,1,0,0,0,0|2,0,0]=4 624 B11R1.189 COC1=NC=CC(=C1)CCN Z2298160753 [1,1,0,0,0,0|1,0,0]=3 625 B11R1.189 COCC1=CC(=CC=C1)C#N Z295205410 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.189 COCC1=CC(=CC=C1)C=O Z1262327697 [1,1,0,0,0,0|1,0,1]=4 627 B11R1.189 COCC1=CC(=CC=C1)CN Z240084738 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.189 COCC1=CC(=CC=C1)CO Z1266889515 [1,1,0,0,0,0|1,0,0]=3 629 B11R1.189 CSC1=CC(=CC=C1)CCN Z4873760169 [1,1,0,0,0,0|0,1,0]=3 630 B11R1.189 CSCC1=CC(=CC=C1)C#N Z599630632 [1,1,0,0,0,0|2,0,0]=4 631 B11R1.189 CSCC1=CC(=CC=C1)CN Z732208422 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.189 N#CC1=CC=CC(=C1)CCN Z1983080032 [1,1,0,0,0,0|1,0,0]=3 633 B11R1.189 N#CC1=CC=CC(=N1)CCN Z5211343009 [1,1,0,0,0,0|2,0,0]=4 634 B11R1.189 NCCC1=CC(=CC=C1)CO Z4741652081 [1,1,0,0,0,0|0,0,0]=2 635 B11R1.192 CC1=C(C=C(C=C1)CCN)C Z2526366647 [1,1,0,0,0,0|1,0,0]=3 636 B11R1.192 CC1=C(C=C(C=C1)CCN)Cl Z4330614334 [1,1,0,0,0,0|1,0,0]=3 637 B11R1.192 CC1=C(C=CC(=C1)CCN)Br Z1269233616 [1,1,0,0,0,0|1,0,0]=3 638 B11R1.192 CC1=C(C=CC(=C1)CCN)Cl Z1198178622 [1,1,0,0,0,0|1,0,0]=3 639 B11R1.192 CC1=C(C=CC(=C1)CCN)F Z1682072426 [1,1,0,0,0,0|1,0,0]=3 640 B11R1.192 CCNC1=CC(=C(C=C1)C)C Z5214919889 [1,1,0,0,0,0|2,0,0]=4 641 B11R1.192 CCNC1=CC(=C(C=C1)C)F Z2306658828 [1,1,0,0,0,0|2,0,0]=4 642 B11R1.192 CCNC1=CC(=C(C=C1)F)C Z2756154226 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.192 CCNC1=CC(=C(C=C1)F)Cl Z286408112 [1,1,0,0,0,0|2,0,0]=4 644 B11R1.192 CCNC1=CC(=C(C=C1)F)F Z334934070 [1,1,0,0,0,0|2,0,0]=4 645 B11R1.192 CCOC1=CC(=C(C=C1)Br)F Z1185888453 [1,1,0,0,0,0|2,0,0]=4 646 B11R1.192 CCOC1=CC(=C(C=C1)Cl)N Z1255357315 [1,1,0,0,0,0|2,0,0]=4 647 B11R1.192 CCOC1=CC(=C(C=C1)N)F Z2327883785 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.192 CNCC1=CC(=C(C=C1)Br)Br Z6011701708 [1,1,0,0,0,0|2,0,0]=4 649 B11R1.192 CNCC1=CC(=C(C=C1)Br)Cl Z5321384345 [1,1,0,0,0,0|2,0,0]=4 650 B11R1.192 CNCC1=CC(=C(C=C1)C)C Z2238897979 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.192 CNCC1=CC(=C(C=C1)C)Cl Z5390415454 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.192 CNCC1=CC(=C(C=C1)C)F Z385447006 [1,1,0,0,0,0|2,0,0]=4 653 B11R1.192 CNCC1=CC(=C(C=C1)Cl)Cl Z56963342 [1,1,0,0,0,0|2,0,0]=4 654 B11R1.192 CNCC1=CC(=C(C=C1)F)C Z1873867371 [1,1,0,0,0,0|2,0,0]=4 655 B11R1.192 CNCC1=CC(=C(C=C1)F)F Z102767736 [1,1,0,0,0,0|2,0,0]=4 656 B11R1.192 CSCC1=CC(=C(C=C1)Cl)N Z732207352 [1,1,0,0,0,0|2,0,0]=4 657 B11R1.192 NCCC1=CC(=C(C=C1)Br)Cl Z5222342336 [1,1,0,0,0,0|1,0,0]=3 658 B11R1.192 NCCC1=CC(=C(C=C1)Cl)Cl Z285143770 [1,1,0,0,0,0|1,0,0]=3 659 B11R1.192 NCCC1=CC(=C(C=C1)Cl)F Z2681241887 [1,1,0,0,0,0|1,0,0]=3 660 B11R1.192 NCCC1=CC(=C(C=C1)F)Br Z752370708 [1,1,0,0,0,0|1,0,0]=3 661 B11R1.192 NCCC1=CC(=C(C=C1)F)Cl Z4607148848 [1,1,0,0,0,0|1,0,0]=3 662 B11R1.192 NCCC1=CC(=C(C=C1)F)F Z1695670002 [1,1,0,0,0,0|1,0,0]=3 663 B11R1.192 NCCC1=CC(=C(C=C1)O)O Z104474032 [1,1,0,0,0,0|0,0,0]=2 664 B11R1.192 OCCC1=CC(=C(C=C1)Br)F Z1450935429 [1,1,0,0,0,0|2,0,0]=4 665 B11R1.192 OCCC1=CC(=C(C=C1)F)F Z1020788674 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.192 OCCC1=CC(=C(C=C1)O)Cl Z1250886915 [1,1,0,0,0,0|2,0,0]=4 667 B11R1.20 CC(=O)CC1=CC=C(C=C1)F Z329711590 [1,1,0,0,0,0|1,0,1]=4 668 B11R1.20 CC(C)CC1=CC=C(C=C1)N Z1463350056 [1,1,0,0,0,0|1,0,0]=3 669 B11R1.20 CC(C)CC1=NC=C(C=C1)Br Z1269179231 [1,1,0,0,0,0|2,0,0]=4 670 B11R1.20 CC(C)NC1=CC=C(C=C1)Cl Z993967140 [1,1,0,0,0,0|2,0,0]=4 671 B11R1.20 CC(C)NC1=CC=C(C=C1)F Z266481896 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.20 CC(C)OC1=CC=C(C=C1)Br Z53834735 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.20 CC(C)OC1=CC=C(C=C1)I Z54181200 [1,1,0,0,0,0|2,0,0]=4 674 B11R1.20 CC(N)CC1=CC=C(C=C1)O Z57102382 [1,1,0,0,0,0|0,0,0]=2 675 B11R1.20 CC1=CC=C(C=C1)CC(=N)N Z3244909870 [1,1,0,0,0,0|1,0,1]=4 676 B11R1.20 CC1=CC=C(C=C1)NC(C)C Z992717194 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.20 CC1=CC=C(C=C1)OC(C)C Z53834229 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.20 CN(C)CC1=CC=C(C=C1)N Z228584348 [1,1,0,0,0,0|2,0,0]=4 679 B11R1.20 N=C(N)CC1=CC=C(C=C1)Br Z1518844582 [1,1,0,0,0,0|1,0,1]=4 680 B11R1.20 N=C(N)CC1=CC=C(C=C1)F Z415636754 [1,1,0,0,0,0|1,0,1]=4 681 B11R1.20 NC(=O)CC1=CC=C(C=C1)Br Z33546958 [1,1,0,0,0,0|1,0,1]=4 682 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl Z33546677 [1,1,0,0,0,0|1,0,1]=4 683 B11R1.20 NC(=O)CC1=CC=C(C=C1)F Z33546755 [1,1,0,0,0,0|1,0,1]=4 684 B11R1.20 NC(=O)CC1=CC=C(C=C1)N Z234895133 [1,1,0,0,0,0|1,0,1]=4 685 B11R1.20 NC(=S)CC1=CC=C(C=C1)F Z285131734 [1,1,0,0,0,0|1,0,1]=4 686 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 Z1255383314 [1,1,0,0,0,0|1,0,1]=4 687 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Z3234810419 [1,1,0,0,0,0|1,0,1]=4 688 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 Z1255506457 [1,1,0,0,0,0|1,0,1]=4 689 B11R1.36 CC(C)C(N)C1=CC=NC=C1 Z513796098 [1,1,0,0,0,0|2,0,0]=4 690 B11R1.36 CC(C)C(N)C1=NC=CC=C1 Z513795924 [1,1,0,0,0,0|2,0,0]=4 691 B11R1.36 CC(C)C(O)C1=NC=CC=C1 Z513749462 [1,1,0,0,0,0|2,0,0]=4 692 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 Z199509008 [1,1,0,0,0,0|1,0,1]=4 693 B11R1.36 CC(N)C(C)C1=CC=CC=C1 Z1203578901 [1,1,0,0,0,0|0,0,0]=2 694 B11R1.36 CC(N)C(O)C1=CC=NC=C1 Z1263602353 [1,1,0,0,0,0|1,0,0]=3 695 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Z2588063686 [1,1,0,0,0,0|1,0,0]=3 696 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 Z57069256 [1,1,0,0,0,0|1,0,1]=4 697 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 Z57204607 [1,1,0,0,0,0|1,0,1]=4 698 B11R1.36 NC(C1=CC=CC=C1)C(F)F Z2211231766 [1,1,0,0,0,0|2,0,0]=4 699 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [1,1,0,0,0,0|0,0,1]=3 700 B11R1.40 CC(C#N)OC1=CC=CC=C1 Z54191740 [1,1,0,0,0,0|1,0,1]=4 701 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [1,1,0,0,0,0|1,0,0]=3 702 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [1,1,0,0,0,0|0,0,0]=2 703 B11R1.40 CC(CN)NC1=CC=CC=C1 Z1198235985 [1,1,0,0,0,0|1,0,0]=3 704 B11R1.40 CC(CN)OC1=CC=CC=C1 Z1245635737 [1,1,0,0,0,0|1,0,0]=3 705 B11R1.40 CC(CN)SC1=CC=CC=C1 Z844632804 [1,1,0,0,0,0|1,0,0]=3 706 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [1,1,0,0,0,0|0,0,0]=2 707 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [1,1,0,0,0,0|1,0,0]=3 708 B11R1.40 CCC(O)CC1=CC=NC=C1 Z992409862 [1,1,0,0,0,0|2,0,0]=4 709 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [1,1,0,0,0,0|1,0,0]=3 710 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [1,1,0,0,0,0|1,0,0]=3 711 B11R1.40 CN(C#N)CC1=CC=CC=C1 Z1255506511 [1,1,0,0,0,0|1,0,1]=4 712 B11R1.40 CN(CC1=CC=CC=C1)N=O Z1198147495 [1,1,0,0,0,0|1,0,1]=4 713 B11R1.40 CS/C(=N/C1=CC=CC=C1)/N Z107728768 [1,1,0,0,0,0|1,0,1]=4 714 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [1,1,0,0,0,0|0,0,0]=2 715 B11R1.40 NC(CO)CC1=CC=NC=C1 Z1824511267 [1,1,0,0,0,0|1,0,0]=3 716 B11R1.40 NCC(=O)CC1=CC=CC=C1 Z1569708978 [1,1,0,0,0,0|1,0,1]=4 717 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [1,1,0,0,0,0|1,0,0]=3 718 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [1,1,0,0,0,0|0,0,0]=2 719 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [1,1,0,0,0,0|1,0,0]=3 720 B11R1.40 NNC(=O)CC1=CC=CC=C1 Z56867310 [1,1,0,0,0,0|1,0,1]=4 721 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [1,1,0,0,0,0|0,0,0]=2 722 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [1,1,0,0,0,0|0,0,0]=2 723 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Z164706024 [1,1,0,0,0,0|1,0,1]=4 724 B11R1.86 CC(=O)CC1=C(C=CC=C1)C Z329711570 [1,1,0,0,0,0|1,0,1]=4 725 B11R1.86 CC(=O)CC1=C(C=CC=C1)Cl Z329711556 [1,1,0,0,0,0|1,0,1]=4 726 B11R1.86 CC(=O)CC1=C(C=CC=C1)I Z1335657335 [1,1,0,0,0,0|1,0,1]=4 727 B11R1.86 CC(=O)CC1=C(C=CC=C1)O Z1198152110 [1,1,0,0,0,0|1,0,1]=4 728 B11R1.86 CC(C)CC1=C(C=CC=C1)N Z1171158156 [1,1,0,0,0,0|1,0,0]=3 729 B11R1.86 CC(C)NC1=C(C=CC=C1)Br Z334939134 [1,1,0,0,0,0|2,0,0]=4 730 B11R1.86 CC(C)NC1=C(C=CC=C1)I Z362774390 [1,1,0,0,0,0|2,0,0]=4 731 B11R1.86 CC(C)OC1=C(C=CC=C1)Br Z54690481 [1,1,0,0,0,0|2,0,0]=4 732 B11R1.86 CC(C)OC1=C(C=CC=C1)Cl Z53833775 [1,1,0,0,0,0|2,0,0]=4 733 B11R1.86 CC(C)OC1=C(C=CC=C1)N Z239604736 [1,1,0,0,0,0|2,0,0]=4 734 B11R1.86 CC(C)SC1=C(C=CC=C1)N Z316174692 [1,1,0,0,0,0|2,0,0]=4 735 B11R1.86 CC(N)CC1=C(C=CC=C1)Br Z1416200939 [1,1,0,0,0,0|0,0,0]=2 736 B11R1.86 CC(N)CC1=C(C=CC=C1)Cl Z415728108 [1,1,0,0,0,0|0,0,0]=2 737 B11R1.86 CC1=C(C=CC=C1)CC(=N)N Z1374778803 [1,1,0,0,0,0|1,0,1]=4 738 B11R1.86 CC1=C(C=CC=C1)CC(=O)N Z52214433 [1,1,0,0,0,0|1,0,1]=4 739 B11R1.86 CC1=C(C=CC=C1)CC(C)N Z594038086 [1,1,0,0,0,0|0,0,0]=2 740 B11R1.86 CC1=C(C=CC=C1)NC(C)C Z267168760 [1,1,0,0,0,0|2,0,0]=4 741 B11R1.86 CC1=C(C=CN=C1)CC(C)N Z4926043046 [1,1,0,0,0,0|1,0,0]=3 742 B11R1.86 CN(C)CC1=C(C=CC=C1)Cl Z54750062 [1,1,0,0,0,0|2,0,0]=4 743 B11R1.86 CN(C)CC1=C(C=CC=C1)N Z285162890 [1,1,0,0,0,0|2,0,0]=4 744 B11R1.86 CS(=O)CC1=C(C=CC=C1)N Z802580910 [1,1,0,0,0,0|2,0,0]=4 745 B11R1.86 N=C(N)CC1=C(C=CC=C1)Br Z1742055055 [1,1,0,0,0,0|1,0,1]=4 746 B11R1.86 N=C(N)CC1=C(C=CC=C1)F Z1695738915 [1,1,0,0,0,0|1,0,1]=4 747 B11R1.86 NC(=O)CC1=C(C=CC=C1)Cl Z33547171 [1,1,0,0,0,0|1,0,1]=4 748 B11R1.86 NC(=O)CC1=C(C=CC=C1)F Z33546803 [1,1,0,0,0,0|1,0,1]=4 749 B11R1.86 NC(=O)CC1=C(C=CC=C1)N Z239125326 [1,1,0,0,0,0|1,0,1]=4 750 B11R1.86 NC(=O)CC1=C(C=CC=C1)O Z1255356155 [1,1,0,0,0,0|1,0,1]=4 751 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 Z89268868 [1,1,0,0,0,0|2,0,0]=4 752 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)O Z1198169413 [0,1,0,0,1,0|1,0,1]=4 753 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)O Z1201626572 [0,1,0,0,1,0|1,0,1]=4 754 B11R1.21 CC(=O)C1=CC(=C(C=C1)N)O Z1198158301 [0,1,0,0,1,0|1,0,1]=4 755 B11R1.21 CC(Br)C1=CC(=C(C=C1)Cl)Cl Z381392948 [0,1,0,0,1,0|2,0,0]=4 756 B11R1.21 CC(Br)C1=CC(=C(C=C1)F)Cl Z381393046 [0,1,0,0,1,0|2,0,0]=4 757 B11R1.21 CC(C)C1=CC(=C(C=C1)F)N Z4722235861 [0,1,0,0,1,0|2,0,0]=4 758 B11R1.21 CC(C)C1=CC(=C(C=C1)N)Cl Z1262643307 [0,1,0,0,1,0|2,0,0]=4 759 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N Z1198154332 [0,1,0,0,1,0|2,0,0]=4 760 B11R1.21 CC(C)C1=CC(=C(C=C1)O)N Z57441596 [0,1,0,0,1,0|2,0,0]=4 761 B11R1.21 CC(N)C1=CC(=C(C=C1)Br)F Z3213740225 [0,1,0,0,1,0|1,0,0]=3 762 B11R1.21 CC(N)C1=CC(=C(C=C1)Br)O Z1551939587 [0,1,0,0,1,0|0,0,0]=2 763 B11R1.21 CC(N)C1=CC(=C(C=C1)Cl)Cl Z56347253 [0,1,0,0,1,0|1,0,0]=3 764 B11R1.21 CC(N)C1=CC(=C(C=C1)Cl)F Z1198724032 [0,1,0,0,1,0|1,0,0]=3 765 B11R1.21 CC(N)C1=CC(=C(C=C1)F)Cl Z335437988 [0,1,0,0,1,0|1,0,0]=3 766 B11R1.21 CC(N)C1=CC(=C(C=C1)O)O Z4958589100 [0,1,0,0,1,0|0,0,0]=2 767 B11R1.21 CC(O)C1=CC(=C(C=C1)Br)F Z1436188584 [0,1,0,0,1,0|2,0,0]=4 768 B11R1.21 CC(O)C1=CC(=C(C=C1)Cl)Cl Z335245002 [0,1,0,0,1,0|2,0,0]=4 769 B11R1.21 CC(O)C1=CC(=C(C=C1)F)Cl Z335438560 [0,1,0,0,1,0|2,0,0]=4 770 B11R1.21 CC(O)C1=CC(=C(C=C1)F)F Z228586306 [0,1,0,0,1,0|2,0,0]=4 771 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)O Z323032498 [0,1,0,0,1,0|1,0,1]=4 772 B11R1.21 CC1=C(C=C(C=C1)C(C)C)O Z104496566 [0,1,0,0,1,0|1,0,0]=3 773 B11R1.21 CC1=C(C=C(C=C1)C(C)N)C Z285186052 [0,1,0,0,1,0|1,0,0]=3 774 B11R1.21 CC1=C(C=C(C=C1)C(C)N)F Z363990474 [0,1,0,0,1,0|1,0,0]=3 775 B11R1.21 CC1=C(C=C(C=C1)[C@@H](C)O)C Z360055396 [0,1,0,0,1,0|2,0,0]=4 776 B11R1.21 CC1=C(C=C(C=C1)[C@H](C)O)C Z360055400 [0,1,0,0,1,0|2,0,0]=4 777 B11R1.21 CC1=C(C=CC(=C1)C(C)N)F Z1359429587 [0,1,0,0,1,0|1,0,0]=3 778 B11R1.21 C[C@@H](N)C1=CC(=C(C=C1)F)Br Z1696091701 [0,1,0,0,1,0|1,0,0]=3 779 B11R1.21 C[C@@H](N)C1=CC(=C(C=C1)F)Cl Z1127664214 [0,1,0,0,1,0|1,0,0]=3 780 B11R1.21 C[C@@H](O)C1=CC(=C(C=C1)Cl)Cl Z360055342 [0,1,0,0,1,0|2,0,0]=4 781 B11R1.21 C[C@@H](O)C1=CC(=C(C=C1)F)Cl Z1127664454 [0,1,0,0,1,0|2,0,0]=4 782 B11R1.21 C[C@@H](O)C1=CC(=C(C=C1)F)F Z360055916 [0,1,0,0,1,0|2,0,0]=4 783 B11R1.21 C[C@H](N)C1=CC(=C(C=C1)Cl)Cl Z1962166972 [0,1,0,0,1,0|1,0,0]=3 784 B11R1.21 C[C@H](N)C1=CC(=C(C=C1)F)Br Z360056272 [0,1,0,0,1,0|1,0,0]=3 785 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)Cl)Cl Z360055344 [0,1,0,0,1,0|2,0,0]=4 786 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)F)Br Z360056260 [0,1,0,0,1,0|2,0,0]=4 787 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)F)Cl Z1127664340 [0,1,0,0,1,0|2,0,0]=4 788 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)F)F Z360055912 [0,1,0,0,1,0|2,0,0]=4 789 B11R1.21 NC(=O)C1=CC(=C(C=C1)Br)O Z1269119521 [0,1,0,0,1,0|1,0,1]=4 790 B11R1.21 NC(=O)C1=CC(=C(C=C1)N)O Z1126161217 [0,1,0,0,1,0|1,0,1]=4 791 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)O Z1198152898 [0,1,0,0,1,0|1,0,1]=4 792 B11R1.74 CC(=O)C1=CC(=CC(=C1)O)F Z1255392410 [0,1,0,0,1,0|1,0,1]=4 793 B11R1.74 CC(=O)C1=CC(=CC(=C1)O)O Z1696862457 [0,1,0,0,1,0|1,0,1]=4 794 B11R1.74 CC(C)C1=CC(=CC(=C1)N)F Z4946679480 [0,1,0,0,1,0|2,0,0]=4 795 B11R1.74 CC(C)C1=CC(=CC(=O)O1)O Z1198170475 [0,1,0,0,1,0|2,0,0]=4 796 B11R1.74 CC(O)C1=CC(=CC(=C1)F)F Z838968736 [0,1,0,0,1,0|2,0,0]=4 797 B11R1.74 CC1=CC(=CC(=C1)Br)C(C)N Z3083106287 [0,1,0,0,1,0|1,0,0]=3 798 B11R1.74 CC1=CC(=CC(=C1)C(C)N)C Z608067962 [0,1,0,0,1,0|1,0,0]=3 799 B11R1.74 CC1=CC(=CC(=C1)O)C(C)C Z104479096 [0,1,0,0,1,0|1,0,0]=3 800 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)Br Z1269113277 [0,1,0,0,1,0|1,0,1]=4 801 B11R1.155 CC(C)(C)C1=NC(=CC=C1)O Z1255380255 [0,1,0,0,1,0|2,0,0]=4 802 B11R1.155 CC(C)(N)C1=CC(=CC=C1)Br Z3037488222 [0,1,0,0,1,0|1,0,0]=3 803 B11R1.155 CC(C)(N)C1=CC(=CC=C1)Cl Z449374238 [0,1,0,0,1,0|1,0,0]=3 804 B11R1.155 CC(C)(N)C1=CC(=CC=C1)F Z449374128 [0,1,0,0,1,0|1,0,0]=3 805 B11R1.155 CC(C)(O)C1=CC(=CC=C1)Cl Z449374152 [0,1,0,0,1,0|2,0,0]=4 806 B11R1.155 CC(C)(O)C1=CC(=CC=C1)N Z1262641436 [0,1,0,0,1,0|2,0,0]=4 807 B11R1.155 CC(F)(F)C1=CC(=CC=C1)N Z1753013071 [0,1,0,0,1,0|2,0,0]=4 808 B11R1.155 CS(=O)(=O)C1=CC(=CC=C1)O Z415743792 [0,1,0,0,1,0|2,0,0]=4 809 B11R1.155 NS(=O)(=O)C1=CC(=CC=C1)O Z1255464009 [0,1,0,0,1,0|2,0,0]=4 810 B11R1.155 OC1=CC(=CC=C1)C(F)(F)F Z104476676 [0,1,0,0,1,0|2,0,0]=4 811 B11R1.159 CC(=O)C1=C(C(=CC=C1)O)F Z1255400699 [0,1,0,0,1,0|1,0,1]=4 812 B11R1.159 CC(=O)C1=C(C(=CC=C1)O)O Z1198162545 [0,1,0,0,1,0|1,0,1]=4 813 B11R1.159 CC(C)C1=C(C(=CC=C1)F)N Z4997400271 [0,1,0,0,1,0|2,0,0]=4 814 B11R1.159 CC(N)C1=C(C(=CC=C1)Cl)Cl Z1020772524 [0,1,0,0,1,0|1,0,0]=3 815 B11R1.159 CC(N)C1=C(C(=CC=C1)F)F Z1713595336 [0,1,0,0,1,0|1,0,0]=3 816 B11R1.159 CC1=C(C=CC=C1Br)C(C)N Z4950451632 [0,1,0,0,1,0|1,0,0]=3 817 B11R1.159 CC1=C(C=CC=C1Cl)C(C)N Z4554633933 [0,1,0,0,1,0|1,0,0]=3 818 B11R1.159 CC1=C(C=CC=C1N)C(C)C Z2740750367 [0,1,0,0,1,0|2,0,0]=4 819 B11R1.159 CC1=CC=CC(=C1C)C(C)N Z992749600 [0,1,0,0,1,0|1,0,0]=3 820 B11R1.159 CC1=CC=CC(=C1N)C(C)C Z3676142304 [0,1,0,0,1,0|2,0,0]=4 821 B11R1.159 NC(=O)C1=C(C(=CC=C1)O)N Z1255418231 [0,1,0,0,1,0|1,0,1]=4 822 B11R1.167 CC(=O)C1=C(C=CC(=C1)O)F Z1198184516 [0,1,0,0,1,0|1,0,1]=4 823 B11R1.167 CC(=O)C1=C(C=CC(=C1)O)N Z1255417279 [0,1,0,0,1,0|1,0,1]=4 824 B11R1.167 CC(=O)C1=C(C=CC(=C1)O)O Z56889030 [0,1,0,0,1,0|1,0,1]=4 825 B11R1.167 CC(C)C1=C(C=CC(=C1)Br)O Z1269143433 [0,1,0,0,1,0|2,0,0]=4 826 B11R1.167 CC(C)C1=C(C=CC(=C1)Cl)N Z2679866520 [0,1,0,0,1,0|2,0,0]=4 827 B11R1.167 CC(C)C1=C(C=CC(=C1)N)F Z5052153913 [0,1,0,0,1,0|2,0,0]=4 828 B11R1.167 CC(C)C1=C(C=CC(=C1)N)O Z1255375171 [0,1,0,0,1,0|2,0,0]=4 829 B11R1.167 CC(N)C1=C(C=CC(=C1)Br)F Z4604865350 [0,1,0,0,1,0|1,0,0]=3 830 B11R1.167 CC(N)C1=C(C=CC(=C1)Cl)Cl Z239627076 [0,1,0,0,1,0|1,0,0]=3 831 B11R1.167 CC(N)C1=C(C=CC(=C1)O)O Z4607148493 [0,1,0,0,1,0|0,0,0]=2 832 B11R1.167 CC(O)C1=C(C=CC(=C1)Br)N Z1509409907 [0,1,0,0,1,0|2,0,0]=4 833 B11R1.167 CC(O)C1=C(C=CC(=C1)Cl)Cl Z335244918 [0,1,0,0,1,0|2,0,0]=4 834 B11R1.167 CC(O)C1=C(C=CC(=C1)F)F Z228586372 [0,1,0,0,1,0|2,0,0]=4 835 B11R1.167 CC(O)C1=C(C=CC(=C1)I)Br Z1947410581 [0,1,0,0,1,0|2,0,0]=4 836 B11R1.167 CC1=C(C=C(C=C1)O)C(=O)N Z1255405404 [0,1,0,0,1,0|1,0,1]=4 837 B11R1.167 CC1=CC(=C(C=C1)C)C(C)N Z56347427 [0,1,0,0,1,0|1,0,0]=3 838 B11R1.167 CC1=CC(=C(C=C1)C)[C@@H](C)O Z360055836 [0,1,0,0,1,0|2,0,0]=4 839 B11R1.167 CC1=CC(=C(C=C1)C)[C@H](C)O Z360055834 [0,1,0,0,1,0|2,0,0]=4 840 B11R1.167 C[C@@H](N)C1=C(C=CC(=C1)F)F Z360056102 [0,1,0,0,1,0|1,0,0]=3 841 B11R1.167 C[C@@H](O)C1=C(C=CC(=C1)Cl)Cl Z360055424 [0,1,0,0,1,0|2,0,0]=4 842 B11R1.167 C[C@@H](O)C1=C(C=CC(=C1)Cl)F Z1245781311 [0,1,0,0,1,0|2,0,0]=4 843 B11R1.167 C[C@H](O)C1=C(C=CC(=C1)Cl)Cl Z360055428 [0,1,0,0,1,0|2,0,0]=4 844 B11R1.167 C[C@H](O)C1=C(C=CC(=C1)Cl)F Z1245781230 [0,1,0,0,1,0|2,0,0]=4 845 B11R1.167 C[C@H](O)C1=C(C=CC(=C1)F)F Z360056062 [0,1,0,0,1,0|2,0,0]=4 846 B11R1.167 OC1=CC(=C(C=C1)Br)C(F)F Z1269214404 [0,1,0,0,1,0|2,0,0]=4 847 B11R1.266 CC(=O)C1=CC(=CC=C1)CO Z1255384632 [0,1,0,0,1,0|1,0,1]=4 848 B11R1.266 CC(C)C1=CC(=CC=C1)C=O Z1162448800 [0,1,0,0,1,0|1,0,1]=4 849 B11R1.266 CC(C)C1=NC(=CC=C1)CO Z1216820960 [0,1,0,0,1,0|2,0,0]=4 850 B11R1.266 CC(O)C1=CC(=CC=C1)C#N Z445987342 [0,1,0,0,1,0|2,0,0]=4 851 B11R1.266 CNC1=CC(=CC=C1)C(C)C Z362639302 [0,1,0,0,1,0|2,0,0]=4 852 B11R1.266 COC1=CC(=CC=C1)C(=N)N Z1263714060 [0,1,0,0,1,0|1,0,1]=4 853 B11R1.266 COC1=CC(=CC=C1)C(=O)C Z54179675 [0,1,0,0,1,0|1,0,1]=4 854 B11R1.266 COC1=CC(=CC=C1)C(=S)N Z56950570 [0,1,0,0,1,0|1,0,1]=4 855 B11R1.266 COC1=CC(=CC=C1)C(C)O Z228586154 [0,1,0,0,1,0|1,0,0]=3 856 B11R1.266 COC1=CC(=CC=C1)[C@@H](C)O Z360055364 [0,1,0,0,1,0|1,0,0]=3 857 B11R1.266 COC1=CC(=CC=C1)[C@H](C)O Z360055368 [0,1,0,0,1,0|1,0,0]=3 858 B11R1.266 COC1=NC(=CC=C1)C(C)O Z1216820543 [0,1,0,0,1,0|2,0,0]=4 859 B11R1.266 C[C@@H](O)C1=CC(=CC=C1)C#N Z1127664498 [0,1,0,0,1,0|2,0,0]=4 860 B11R1.266 C[C@@H](O)C1=CC(=CC=C1)C=O Z1511906513 [0,1,0,0,1,0|1,0,1]=4 861 B11R1.266 C[C@H](O)C1=CC(=CC=C1)C#N Z1127664384 [0,1,0,0,1,0|2,0,0]=4 862 B11R1.266 NC(=O)C1=CC(=CC=C1)CO Z431951860 [0,1,0,0,1,0|1,0,1]=4 863 B13R1.15 C/N=C(\N)/NCC1=CC(=CC=C1)Br Z1090034392 [0,1,0,0,0,1|1,0,1]=4 864 B13R1.15 CC(CO)NCC1=CC(=CC=C1)Br Z425727416 [0,1,0,0,0,1|2,0,0]=4 865 B13R1.15 CC1=CC(=CC=C1)OCC(O)CN Z271072304 [0,1,0,0,0,1|2,0,0]=4 866 B13R1.15 COC(=O)NCC1=CC(=CC=C1)O Z728883650 [0,1,0,0,0,1|1,0,1]=4 867 B13R1.15 NCC(O)COC1=CC(=CC=C1)F Z271072324 [0,1,0,0,0,1|2,0,0]=4 868 B13R1.15 OCC(O)CSC1=CC(=CC=C1)Br Z1346696335 [0,1,0,0,0,1|2,0,0]=4 869 B13R1.15 OCC(O)CSC1=CC(=CC=C1)Cl Z1346696059 [0,1,0,0,0,1|2,0,0]=4 870 B13R1.147 CC(C)CC(=O)C1=CC(=CC=C1)Br Z513734428 [0,1,0,0,0,1|2,0,0]=4 871 B13R1.148 CC(C)C(=O)NC1=CC(=CC=C1)O Z335808218 [0,1,0,0,0,1|1,0,1]=4 872 B13R1.148 CC(OC1=CC(=CC=C1)O)C(=O)N Z381415416 [0,1,0,0,0,1|1,0,1]=4 873 B13R1.148 CC1=CC=CC(=C1)NC(=O)C(C)N Z1449747159 [0,1,0,0,0,1|1,0,1]=4 874 B13R1.150 CC1=C(C=CC=C1N)COC(C)C Z425792622 [0,1,0,0,0,1|2,0,0]=4 875 B13R1.150 CC1=C(C=CC=C1N)CSC(C)C Z600446634 [0,1,0,0,0,1|2,0,0]=4 876 B13R1.511 CC(C)NCC1=CC(=C(C=C1)Cl)Cl Z86129869 [0,1,0,0,0,1|2,0,0]=4 877 B13R1.511 CC(N)CCC1=CC(=C(C=C1)F)F Z1123686389 [0,1,0,0,0,1|1,0,0]=3 878 B13R1.511 CN(C)CCC1=CC(=C(C=C1)O)O Z1501469796 [0,1,0,0,0,1|2,0,0]=4 879 B13R1.643 CC(C)COC1=CC(=CC=C1)C=O Z53836054 [0,1,0,0,0,1|1,0,1]=4 880 B13R1.643 CC(C)COC1=CC(=CC=C1)CN Z239604656 [0,1,0,0,0,1|2,0,0]=4 881 B13R1.643 CC(C)OCC1=CC(=CC=C1)CN Z285179140 [0,1,0,0,0,1|2,0,0]=4 882 B13R1.643 CC(O)COC1=CC(=CC=C1)C#N Z600449282 [0,1,0,0,0,1|2,0,0]=4 883 B13R1.643 COC1=CC(=CC=C1)CNC(=O)N Z198194944 [0,1,0,0,0,1|1,0,1]=4 884 B13R1.643 COC1=CC(=CC=C1)NCC(=O)N Z104592028 [0,1,0,0,0,1|1,0,1]=4 885 B13R1.643 COC1=CC(=CC=C1)SCC(=O)N Z290601360 [0,1,0,0,0,1|1,0,1]=4 886 B13R1.643 COC1=NC=CC(=C1)NCC(C)C Z1516116780 [0,1,0,0,0,1|2,0,0]=4 887 B13R1.643 NC(=O)COC1=CC(=CC=C1)CO Z57462495 [0,1,0,0,0,1|1,0,1]=4 888 B13R1.838 CC(C)(C)CNC1=CC(=CC=C1)O Z803054338 [0,1,0,0,0,1|1,0,0]=3 889 B13R1.838 CC(C)(C)NCC1=CC(=CC=C1)F Z239630042 [0,1,0,0,0,1|2,0,0]=4 890 B13R1.838 OC1=CC(=CC=C1)OCC(F)(F)F Z381415512 [0,1,0,0,0,1|2,0,0]=4 891 B13R1.893 CC(C)COC1=C(C=CC(=C1)N)Br Z1821462839 [0,1,0,0,0,1|2,0,0]=4 892 B13R1.893 CC(C)NCC1=C(C=CC(=C1)Br)F Z86130026 [0,1,0,0,0,1|2,0,0]=4 893 B13R1.893 CC(C)OCC1=C(C=CC(=C1)N)O Z1262629174 [0,1,0,0,0,1|2,0,0]=4 894 B13R1.3420 CC(C)CNC1=CC(=CC(=C1)F)F Z1695797890 [0,1,0,0,0,1|2,0,0]=4 895 B13R1.3420 CC1=CC(=CC(=C1)OCC(C)N)C Z3243752716 [0,1,0,0,0,1|1,0,0]=3 896 B13R1.3420 CC1=CC(=CC(=C1)OCC(C)O)C Z854226076 [0,1,0,0,0,1|2,0,0]=4 897 B13R1.35 COC1=C(C=C(C=C1)CC(C)N)O Z4574899614 [0,2,0,0,0,0|0,0,0]=2 898 B13R1.52 COC1=C(C=CC(=C1)CC(=O)N)C Z194976376 [0,2,0,0,0,0|1,0,1]=4 899 B13R1.52 COC1=C(C=CC(=C1)CC(C)N)O Z4119887033 [0,2,0,0,0,0|0,0,0]=2 900 B13R1.52 COC1=C(C=CC(=C1)CN(C)C)O Z2177030804 [0,2,0,0,0,0|2,0,0]=4 901 B13R1.510 CC(C)C(N)C1=CC(=C(C=C1)F)F Z335235556 [0,2,0,0,0,0|2,0,0]=4 902 B13R1.510 CC(N)C(O)C1=CC(=C(C=C1)F)F Z1342208384 [0,2,0,0,0,0|1,0,0]=3 903 B13R1.510 CC1=C(C=CC(=C1)C(O)C(C)N)F Z4133752082 [0,2,0,0,0,0|1,0,0]=3 904 B13R1.518 CC(C)(N)CC1=CC(=C(C=C1)F)O Z5336269159 [0,2,0,0,0,0|0,0,0]=2 905 B13R1.518 CC(C)(O)CC1=CC(=C(C=C1)Br)F Z2756530158 [0,2,0,0,0,0|2,0,0]=4 906 B13R1.518 CC1=C(C=CC(=C1)CC(C)(C)N)Br Z2182115428 [0,2,0,0,0,0|1,0,0]=3 907 B13R1.876 CC(N)CC1=C(C=C(C(=C1)F)F)F Z4092809107 [0,2,0,0,0,0|1,0,0]=3 908 B13R1.2879 CC1=C(C=C(C=C1)CC(N)CO)C Z2255081939 [0,2,0,0,0,0|1,0,0]=3 909 B13R1.81 CNC(=O)CC1=CC(=CC=C1)OC Z32016972 [0,2,0,0,0,0|1,0,1]=4 910 B13R1.81 COC1=CC(=CC=C1)CC(=O)CCl Z1255424725 [0,2,0,0,0,0|1,0,1]=4 911 B13R1.81 COC1=CC(=CC=C1)OC(C)CN Z844631912 [0,2,0,0,0,0|1,0,0]=3 912 B13R1.146 CC1=CC(=CC=C1)CC(CN)CO Z285055118 [0,2,0,0,0,0|1,0,0]=3 913 B13R1.146 CCC(CN)CC1=CC(=CC=C1)Br Z992310008 [0,2,0,0,0,0|1,0,0]=3 914 B13R1.146 CCC(CN)OC1=CC(=CC=C1)C Z1696822317 [0,2,0,0,0,0|2,0,0]=4 915 B13R1.146 CCC(CN)OC1=CC(=CC=C1)Cl Z1381260607 [0,2,0,0,0,0|2,0,0]=4 916 B13R1.146 CCC(CN)OC1=CC(=CC=C1)F Z851005008 [0,2,0,0,0,0|2,0,0]=4 917 B13R1.146 COC(CC1=CC(=CC=C1)Cl)OC Z1171220883 [0,2,0,0,0,0|2,0,0]=4 918 B13R1.146 N#CC(CO)CC1=CC(=CC=C1)Br Z1098915256 [0,2,0,0,0,0|1,0,1]=4 919 B13R1.146 NCC(CO)CC1=CC(=CC=C1)F Z285055090 [0,2,0,0,0,0|1,0,0]=3 920 B13R1.250 CC(C)(C#N)CC1=CC(=CC=C1)Br Z1259281926 [0,2,0,0,0,0|1,0,1]=4 921 B13R1.250 CC(C)(CN)CC1=CC(=CC=C1)Br Z2235409208 [0,2,0,0,0,0|1,0,0]=3 922 B13R1.250 CC(C)(CN)CC1=CC(=CC=C1)Cl Z995183126 [0,2,0,0,0,0|1,0,0]=3 923 B13R1.2872 COC(=O)CC1=C(C=CC(=C1)O)Br Z1269243407 [0,2,0,0,0,0|1,0,1]=4 924 B13R1.2872 CON(C)CC1=C(C=CC(=C1)O)Cl Z2702998209 [0,2,0,0,0,0|2,0,0]=4 925 B13R1.56 COC1=CC(=CC(=C1)F)CC(C)N Z2240804320 [0,2,0,0,0,0|0,0,0]=2 926 B13R1.80 COC1=CC(=CC=C1)CS(=O)(=O)N Z954606354 [0,2,0,0,0,0|2,0,0]=4 927 B13R1.3492 CC(C)(C)C(N)C1=CC(=CC=C1)F Z513798266 [0,2,0,0,0,0|2,0,0]=4 928 B13R1.3492 CC1=CC(=CC=C1)C(N)C(C)(C)C Z513798256 [0,2,0,0,0,0|2,0,0]=4 929 B13R1.97 CC(C)NC1=C(C=CC(=C1)CO)Cl Z1343375270 [0,2,0,0,0,0|2,0,0]=4 930 B13R1.97 COC1=CC(=C(C=C1)O)CC(C)N Z4167757598 [0,2,0,0,0,0|0,0,0]=2 931 B13R1.641 CC(C)CC1=C(C(=CC=C1)C=O)F Z1511911761 [0,2,0,0,0,0|1,0,1]=4 932 B13R1.587 CC(=O)C1=CC=CC(=C1)CC(C)C Z1171158405 [0,2,0,0,0,0|1,0,1]=4 933 B13R1.587 CC(C)CC1=CC(=CC=C1)B(O)O Z1255462880 [0,2,0,0,0,0|1,0,0]=3 934 B13R1.587 CC(C)CC1=CC(=CC=C1)C(=O)O Z1171157984 [0,2,0,0,0,0|1,0,0]=3 935 B13R1.587 CC(C)NC1=CC(=CC=C1)C(=O)O Z228588808 [0,2,0,0,0,0|2,0,0]=4 936 B13R1.587 CC(C)OC1=CC(=CC=C1)B(O)O Z381513348 [0,2,0,0,0,0|2,0,0]=4 937 B13R1.587 CC(C)OC1=CC(=CC=C1)C(=O)O Z57243683 [0,2,0,0,0,0|2,0,0]=4 938 B13R1.587 CN(C)CC1=CC(=CC=C1)B(O)O Z2238072216 [0,2,0,0,0,0|2,0,0]=4 939 B13R1.587 CN(C)CC1=CC(=CC=C1)C(=O)O Z763029988 [0,2,0,0,0,0|2,0,0]=4 940 B13R1.587 CS(=O)CC1=CC(=CC=C1)C(=O)O Z168796498 [0,2,0,0,0,0|2,0,0]=4 941 B13R1.587 OB(O)C1=CC(=CC=C1)CC(F)F Z3301881161 [0,2,0,0,0,0|2,0,0]=4 942 B11R1.77 CC(N)CC(=O)C1=CC=CO1 Z1407096406 [0,0,1,1,0,0|1,0,0]=3 943 B11R1.77 CC(N)CC(=O)C1=CC=CS1 Z1493030550 [0,0,1,1,0,0|1,1,0]=4 944 B11R1.77 CC(N)CC(O)C1=CC=CO1 Z1407654390 [0,0,1,1,0,0|1,0,1]=4 945 B11R1.156 CC(N)C1=C(C=CC=C1O)F Z4448982034 [0,0,1,1,0,0|1,0,1]=4 946 B11R1.75 CC1=CC=C(O1)CCC(C)N Z1262252380 [0,0,1,1,0,0|0,0,2]=4 947 B11R2.35 BrC1=CC(=CC=C1)C2CO2 Z278165168 [1,0,0,1,0,0|2,0,0]=4 948 B11R2.35 BrC1=CC(=CC=C1)[C@@H]2CO2 Z1575341746 [1,0,0,1,0,0|2,0,0]=4 949 B11R2.35 BrC1=CC(=CC=C1)[C@H]2CO2 Z1575341859 [1,0,0,1,0,0|2,0,0]=4 950 B11R2.35 CC1=CC(=CC=C1)C2CO2 Z802853588 [1,0,0,1,0,0|2,0,0]=4 951 B11R2.35 ClC1=CC(=CC=C1)C2CO2 Z278165232 [1,0,0,1,0,0|2,0,0]=4 952 B11R2.35 ClC1=CC(=CC=C1)[C@@H]2CO2 Z1255457905 [1,0,0,1,0,0|2,0,0]=4 953 B11R2.35 ClC1=CC(=NC=C1)C2CC2 Z4714470389 [1,0,0,1,0,0|2,0,0]=4 954 B11R2.35 FC1=CC(=CC=C1)C2CO2 Z283685748 [1,0,0,1,0,0|2,0,0]=4 955 B11R2.35 NC1=CC(=CC=C1)C2CC2 Z992239700 [1,0,0,1,0,0|1,0,0]=3 956 B11R2.35 NC1=CC(=CN=C1)C2CC2 Z4513216590 [1,0,0,1,0,0|2,0,0]=4 957 B11R2.35 NC1=NC=CC(=C1)C2CC2 Z1255428514 [1,0,0,1,0,0|2,0,0]=4 958 B11R2.35 O=C1C=COC(=C1)C2CC2 Z4461966095 [1,0,0,1,0,0|1,0,1]=4 959 B11R2.35 OC1=CC(=CC=C1)C2CC2 Z1198170922 [1,0,0,1,0,0|0,0,0]=2 960 B11R2.35 OC1=CC(=NC=C1)C2CC2 Z1255493056 [1,0,0,1,0,0|1,0,0]=3 961 B11R2.35 OC1=NC(=NC=C1)C2CC2 Z1259335801 [1,0,0,1,0,0|2,0,0]=4 962 B11R2.36 BrC1=CC2=C(C=C1)CCC2 Z359513410 [1,0,0,1,0,0|1,0,0]=3 963 B11R2.36 BrC1=CC2=C(C=C1)CCN2 Z1267773746 [1,0,0,1,0,0|2,0,0]=4 964 B11R2.36 BrC1=CC2=C(C=C1)CCO2 Z1198181832 [1,0,0,1,0,0|2,0,0]=4 965 B11R2.36 BrC1=CC2=C(C=C1)CNC2 Z1694636353 [1,0,0,1,0,0|2,0,0]=4 966 B11R2.36 BrC1=CC2=C(C=C1)COC2 Z1079162022 [1,0,0,1,0,0|2,0,0]=4 967 B11R2.36 BrC1=CC2=C(C=C1)OCC2 Z299596228 [1,0,0,1,0,0|2,0,0]=4 968 B11R2.36 BrC1=CC2=C(CCC2)N=C1 Z1198182024 [1,0,0,1,0,0|2,0,0]=4 969 B11R2.36 BrC1=CC2=C(N=C1)NCC2 Z1198169618 [1,0,0,1,0,0|2,0,0]=4 970 B11R2.36 CC1=CC2=C(C=C1)CCN2 Z1269638555 [1,0,0,1,0,0|2,0,0]=4 971 B11R2.36 CC1=CC2=C(C=C1)CNC2 Z2238336530 [1,0,0,1,0,0|2,0,0]=4 972 B11R2.36 CC1=CC2=C(C=C1)NCC2 Z235539062 [1,0,0,1,0,0|1,0,0]=3 973 B11R2.36 ClC1=CC2=C(C=C1)CCC2 Z1198234594 [1,0,0,1,0,0|1,0,0]=3 974 B11R2.36 ClC1=CC2=C(C=C1)CCN2 Z926915320 [1,0,0,1,0,0|2,0,0]=4 975 B11R2.36 ClC1=CC2=C(C=C1)CNC2 Z1198319382 [1,0,0,1,0,0|2,0,0]=4 976 B11R2.36 ClC1=CC2=C(C=C1)NCC2 Z235537274 [1,0,0,1,0,0|1,0,0]=3 977 B11R2.36 FC1=CC2=C(C=C1)CCN2 Z440803576 [1,0,0,1,0,0|2,0,0]=4 978 B11R2.36 FC1=CC2=C(C=C1)CNC2 Z1094758928 [1,0,0,1,0,0|2,0,0]=4 979 B11R2.36 FC1=CC2=C(N=C1)NCC2 Z2757597421 [1,0,0,1,0,0|2,0,0]=4 980 B11R2.36 IC1=CC2=C(C=C1)CCC2 Z381540774 [1,0,0,1,0,0|1,0,0]=3 981 B11R2.36 NC1=CC2=C(C=C1)CCO2 Z1203579091 [1,0,0,1,0,0|2,0,0]=4 982 B11R2.36 NC1=CC2=C(C=C1)CCS2 Z1198181342 [1,0,0,1,0,0|2,0,0]=4 983 B11R2.36 NC1=CC2=C(C=C1)CNC2 Z1192340875 [1,0,0,1,0,0|2,0,0]=4 984 B11R2.36 NC1=CC2=C(C=C1)COC2 Z995041906 [1,0,0,1,0,0|2,0,0]=4 985 B11R2.36 NC1=NC2=C(C=C1)CCC2 Z1198183883 [1,0,0,1,0,0|2,0,0]=4 986 B11R2.36 O=C1C=C2CCCC2=CN1 Z1255494860 [1,0,0,1,0,0|1,0,1]=4 987 B11R2.36 O=C1C=CC2=C(N1)CCC2 Z234895263 [1,0,0,1,0,0|1,0,1]=4 988 B11R2.36 OC1=CC2=C(C=C1)CCN2 Z3241260546 [1,0,0,1,0,0|1,0,0]=3 989 B11R2.36 OC1=CC2=C(C=C1)CNC2 Z2489383861 [1,0,0,1,0,0|1,0,0]=3 990 B11R2.36 OC1=CC2=C(C=C1)NC=C2 Z1203162319 [1,0,0,1,0,0|0,0,2]=4 991 B11R2.36 OC1=CC2=C(C=C1)NC=N2 Z1042386518 [1,0,0,1,0,0|1,0,1]=4 992 B11R2.36 OC1=CC2=C(C=C1)NN=C2 Z1209763128 [1,0,0,1,0,0|1,0,1]=4 993 B11R2.36 OC1=CC2=C(C=C1)OCC2 Z1198182902 [1,0,0,1,0,0|1,0,0]=3 994 B11R2.36 OC1=CC2=C(C=C1)OCO2 Z104473678 [1,0,0,1,0,0|2,0,0]=4 995 B11R2.36 OC1=CC2=C(CCC2)N=C1 Z1255498919 [1,0,0,1,0,0|1,0,0]=3 996 B11R2.36 OC1=CC2=C(N=C1)NCC2 Z2310677431 [1,0,0,1,0,0|1,0,0]=3 997 B11R2.36 OC1=NC2=C(C=C1)CCN2 Z5351512817 [1,0,0,1,0,0|2,0,0]=4 998 B11R2.36 OC1=NC2=C(C=C1)CNC2 Z4913752558 [1,0,0,1,0,0|2,0,0]=4 999 B11R2.36 SC1=CC2=C(C=C1)OCC2 Z361891428 [1,0,0,1,0,0|1,1,0]=4 1000 B11R2.106 BrC1=C2CCNC2=CC=C1 Z1198172382 [1,0,0,1,0,0|2,0,0]=4 1001 B11R2.106 BrC1=C2CNCC2=CC=C1 Z1715153806 [1,0,0,1,0,0|2,0,0]=4 1002 B11R2.106 BrC1=C2COCC2=CC=C1 Z1504682798 [1,0,0,1,0,0|2,0,0]=4 1003 B11R2.106 BrC1=C2NCCC2=CC=C1 Z2739025449 [1,0,0,1,0,0|1,0,0]=3 1004 B11R2.106 BrC1=C2NCCC2=CN=C1 Z4898391975 [1,0,0,1,0,0|2,0,0]=4 1005 B11R2.106 BrC1=C2OCCC2=CC=C1 Z1198219525 [1,0,0,1,0,0|2,0,0]=4 1006 B11R2.106 CC1=C2CCNC2=CC=C1 Z916962812 [1,0,0,1,0,0|2,0,0]=4 1007 B11R2.106 CC1=C2CNCC2=CC=C1 Z3244819771 [1,0,0,1,0,0|2,0,0]=4 1008 B11R2.106 CC1=C2NCCC2=CC=C1 Z1331055683 [1,0,0,1,0,0|1,0,0]=3 1009 B11R2.106 ClC1=C2CCNC2=CC=C1 Z1407007539 [1,0,0,1,0,0|2,0,0]=4 1010 B11R2.106 ClC1=C2CNCC2=CC=C1 Z1198176551 [1,0,0,1,0,0|2,0,0]=4 1011 B11R2.106 ClC1=C2NCCC2=CC=C1 Z235537094 [1,0,0,1,0,0|1,0,0]=3 1012 B11R2.106 FC1=C2CCNC2=CC=C1 Z1688198379 [1,0,0,1,0,0|2,0,0]=4 1013 B11R2.106 FC1=C2NCCC2=CC=C1 Z235538802 [1,0,0,1,0,0|1,0,0]=3 1014 B11R2.106 NC1=C2CCCC2=CN=C1 Z3073119330 [1,0,0,1,0,0|2,0,0]=4 1015 B11R2.106 NC1=C2CCOC2=CC=C1 Z1198169532 [1,0,0,1,0,0|2,0,0]=4 1016 B11R2.106 NC1=C2CNCC2=CC=C1 Z3234889976 [1,0,0,1,0,0|2,0,0]=4 1017 B11R2.106 NC1=C2NCCC2=CC=C1 Z1203580163 [1,0,0,1,0,0|1,0,0]=3 1018 B11R2.106 O=C1C=CC=C2N1CCC2 Z1258980489 [1,0,0,1,0,0|1,0,1]=4 1019 B11R2.106 OC1=C2CCCC2=CC=C1 Z1198149277 [1,0,0,1,0,0|0,0,0]=2 1020 B11R2.106 OC1=C2CCNC2=CC=C1 Z1715153863 [1,0,0,1,0,0|1,0,0]=3 1021 B11R2.106 OC1=C2CCNC2=CC=N1 Z3033557931 [1,0,0,1,0,0|2,0,0]=4 1022 B11R2.106 OC1=C2CCOC2=CC=C1 Z1198181637 [1,0,0,1,0,0|1,0,0]=3 1023 B11R2.106 OC1=C2CNCC2=CC=C1 Z1198279842 [1,0,0,1,0,0|1,0,0]=3 1024 B11R2.106 OC1=C2CNCC2=NC=C1 Z4511420933 [1,0,0,1,0,0|2,0,0]=4 1025 B11R2.106 OC1=C2NN=NC2=CC=C1 Z1198168465 [1,0,0,1,0,0|2,0,0]=4 1026 B11R2.106 OC1=C2OCCC2=CC=C1 Z1486027488 [1,0,0,1,0,0|1,0,0]=3 1027 B11R2.106 OC1=C2OCOC2=CC=C1 Z409065236 [1,0,0,1,0,0|2,0,0]=4 1028 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z2309888982 [1,0,0,1,0,0|0,0,0]=2 1029 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 Z2296167800 [1,0,0,1,0,0|0,0,0]=2 1030 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2517097696 [1,0,0,1,0,0|0,0,0]=2 1031 B11R2.10 CC1=NC2=C(N1)C=CC=C2 Z55692894 [1,0,0,1,0,0|1,0,1]=4 1032 B11R2.10 CC1CC2=C(N1)C=CC=C2 Z104472410 [1,0,0,1,0,0|0,0,0]=2 1033 B11R2.10 CC1CC2=C(N1)C=CN=C2 Z1203822742 [1,0,0,1,0,0|1,0,0]=3 1034 B11R2.10 CC1CC2=C(O1)C=CC=C2 Z104378304 [1,0,0,1,0,0|1,0,0]=3 1035 B11R2.10 NC1=NC2=C(C1)C=CC=C2 Z2692198892 [1,0,0,1,0,0|1,0,1]=4 1036 B11R2.10 NC1CC2=C(C1)C=CC=C2 Z1741971562 [1,0,0,1,0,0|0,0,0]=2 1037 B11R2.10 NC1CC2=C(C1)C=NC=C2 Z2238944796 [1,0,0,1,0,0|1,0,0]=3 1038 B11R2.10 NC1CC2=C(C1)N=CC=C2 Z3069017080 [1,0,0,1,0,0|1,0,0]=3 1039 B11R2.10 NC1CC2=C(C1)N=CC=N2 Z4953585301 [1,0,0,1,0,0|2,0,0]=4 1040 B11R2.10 O=C1CC2=C(C1)C=CC=C2 Z104486120 [1,0,0,1,0,0|1,0,1]=4 1041 B11R2.10 O=C1CC2=C(N1)C=CC=C2 Z104478112 [1,0,0,1,0,0|1,0,1]=4 1042 B11R2.238 C1=CC=C(C=C1)CC2CO2 Z1020680006 [1,0,0,1,0,0|1,0,0]=3 1043 B11R2.238 C1=CC=C(C=C1)C[C@@H]2CO2 Z1617991494 [1,0,0,1,0,0|1,0,0]=3 1044 B11R2.238 C1=CC=C(C=C1)C[C@H]2CO2 Z2216712384 [1,0,0,1,0,0|1,0,0]=3 1045 B11R2.238 C1=CC=C(C=C1)NC2CC2 Z1203731288 [1,0,0,1,0,0|2,0,0]=4 1046 B13R2.151 CC1=CC(=CC=C1)[C@H]2C[C@@H](C2)N Z1954242338 [0,0,0,1,0,1|1,0,0]=3 1047 B13R2.151 NC1CC(C1)C2=CC(=CC=C2)Cl Z1262327397 [0,0,0,1,0,1|1,0,0]=3 1048 B13R2.151 N[C@H]1C[C@@H](C1)C2=CC(=CC=C2)Br Z3088779932 [0,0,0,1,0,1|1,0,0]=3 1049 B13R2.151 O=C1CC(N1)C2=CC=CC(=C2)O Z3227055565 [0,0,0,1,0,1|1,0,1]=4 1050 B13R2.162 CC1=C2CC(COC2=CC=C1)N Z2587655446 [0,0,0,1,0,1|1,0,0]=3 1051 B13R2.162 CC1CC2=C(C=CC=C2N)CN1 Z1416163021 [0,0,0,1,0,1|2,0,0]=4 1052 B13R2.162 CC1CNC2=C(O1)C(=CC=C2)Cl Z1251363173 [0,0,0,1,0,1|2,0,0]=4 1053 B13R2.162 CC1CNC2=C(O1)C(=CC=C2)F Z1251362930 [0,0,0,1,0,1|2,0,0]=4 1054 B13R2.162 CN1CCC2=C(C1)C(=CC=C2)O Z1255495206 [0,0,0,1,0,1|2,0,0]=4 1055 B13R2.162 NC1CCC2=C(C1)C(=CC=N2)O Z5113824288 [0,0,0,1,0,1|1,0,0]=3 1056 B13R2.162 NC1COC2=C(C1)C(=CC=C2)Br Z2731860545 [0,0,0,1,0,1|1,0,0]=3 1057 B13R2.162 O=C1CCC2=CC=CC(=C2N1)O Z1198166008 [0,0,0,1,0,1|1,0,1]=4 1058 B13R2.162 O=C1COC2=CC=CC(=C2N1)O Z1198269939 [0,0,0,1,0,1|1,0,1]=4 1059 B13R2.162 OC1CCC2=C(C1)C(=CC=C2)Br Z1862026178 [0,0,0,1,0,1|2,0,0]=4 1060 B13R2.3108 CC1(CNC2=C1C=CC(=C2)Cl)C Z1416188766 [0,0,0,1,0,1|2,0,0]=4 1061 B13R2.3108 CS1(=NCC2=C1C=CC(=C2)O)=O Z4461917987 [0,0,0,1,0,1|2,0,0]=4 1062 B13R2.3683 CC1=CC2=C(C=C1)OC(CN2)C Z1198339746 [0,0,0,1,0,1|2,0,0]=4 1063 B13R2.3683 CC1CC2=C(C=C(C=C2)F)CN1 Z979717396 [0,0,0,1,0,1|2,0,0]=4 1064 B13R2.3683 CC1CNC2=C(N1)N=CC(=C2)Br Z1389212181 [0,0,0,1,0,1|2,0,0]=4 1065 B13R2.3683 CC1CNC2=C(O1)C=CC(=C2)Br Z1269154407 [0,0,0,1,0,1|2,0,0]=4 1066 B13R2.3683 CC1CNC2=C(O1)C=CC(=C2)Cl Z1198339753 [0,0,0,1,0,1|2,0,0]=4 1067 B13R2.3683 O=C1CCC2=C(N1)C=CC(=C2)O Z234893935 [0,0,0,1,0,1|1,0,1]=4 1068 B13R2.3683 O=C1CNC2=C(N1)C=CC(=C2)O Z1255398014 [0,0,0,1,0,1|1,0,1]=4 1069 B13R2.3683 OC1CCC2=C(C1)C=CC(=C2)Br Z449374978 [0,0,0,1,0,1|2,0,0]=4 1070 B13R2.5331 BrC1=CC(=CC=C1)CNC2CC2 Z857667052 [0,0,0,1,0,1|2,0,0]=4 1071 B13R2.5331 BrC1=CC(=CC=C1)OCC2CO2 Z104493088 [0,0,0,1,0,1|2,0,0]=4 1072 B13R2.5331 CC1=CC(=CC=C1)CNC2CC2 Z86138915 [0,0,0,1,0,1|2,0,0]=4 1073 B13R2.5331 CC1=CC(=CC=C1)OCC2CO2 Z56346887 [0,0,0,1,0,1|2,0,0]=4 1074 B13R2.5331 ClC1=CC(=CC=C1)OCC2CO2 Z147642766 [0,0,0,1,0,1|2,0,0]=4 1075 B13R2.5331 FC1=CC(=CC=C1)CNC2CC2 Z86138908 [0,0,0,1,0,1|2,0,0]=4 1076 B13R2.5331 FC1=CC(=CC=C1)NCC2CC2 Z2690049495 [0,0,0,1,0,1|2,0,0]=4 1077 B13R2.5331 NC1=CC(=CC=C1)NCC2CC2 Z376447578 [0,0,0,1,0,1|2,0,0]=4 1078 B13R2.5331 OC1=CC(=CC=C1)CNC2CC2 Z86138909 [0,0,0,1,0,1|1,0,0]=3 1079 B13R2.5331 OC1=CC(=CC=C1)NCC2CC2 Z445154558 [0,0,0,1,0,1|1,0,0]=3 1080 B13R2.13023 CC1(CNC2=C1C(=CC=C2)Cl)C Z1342208389 [0,0,0,1,0,1|2,0,0]=4 1081 B13R2.521 CC1=C(C=CC(=C1)CC2CO2)F Z1495386296 [0,1,0,1,0,0|2,0,0]=4 1082 B13R2.522 CC1=C(C=C(C=C1)C2CC2N)C Z234897043 [0,1,0,1,0,0|1,0,0]=3 1083 B13R2.522 N[C@@H]1C[C@H]1C2=CC(=C(C=C2)Cl)Cl Z2298098026 [0,1,0,1,0,0|1,0,0]=3 1084 B13R2.522 N[C@@H]1C[C@H]1C2=CC(=C(C=C2)Cl)F Z2298098037 [0,1,0,1,0,0|1,0,0]=3 1085 B13R2.522 N[C@@H]1C[C@H]1C2=CC(=C(C=C2)F)F Z2298098006 [0,1,0,1,0,0|1,0,0]=3 1086 B13R2.3050 CC1=CC2=C(N1)C=CC(=C2F)O Z1198172122 [0,1,0,1,0,0|0,0,2]=4 1087 B13R2.3050 O=C1CC2=C(N1)C=CC(=C2F)O Z1198223512 [0,1,0,1,0,0|1,0,1]=4 1088 B13R2.43 CNC1CC2=C(C1)C=C(C=C2)C Z1509336365 [0,1,0,1,0,0|1,0,0]=3 1089 B13R2.43 NCC1=NC2=C(N1)C=CC(=C2)O Z5004215696 [0,1,0,1,0,0|1,0,1]=4 1090 B13R2.43 NCC1CC2=C(O1)C=CC(=C2)Br Z1269117858 [0,1,0,1,0,0|2,0,0]=4 1091 B13R2.43 OCC1CC2=C(O1)C=CC(=C2)Br Z1269186761 [0,1,0,1,0,0|2,0,0]=4 1092 B13R2.43 OCC1CC2=C(O1)C=CC(=C2)F Z1198725007 [0,1,0,1,0,0|2,0,0]=4 1093 B13R2.152 CC1(CO1)CC2=CC(=CC=C2)F Z1763013423 [0,1,0,1,0,0|2,0,0]=4 1094 B13R2.155 CC1=CC2=C(C=C1)NCC(O2)C Z1198339750 [0,1,0,1,0,0|2,0,0]=4 1095 B13R2.155 CC1CNC2=C(C1)C=C(C=C2)F Z5085288248 [0,1,0,1,0,0|1,0,0]=3 1096 B13R2.155 CC1CNC2=C(O1)C=C(C=C2)Br Z1269181301 [0,1,0,1,0,0|2,0,0]=4 1097 B13R2.155 CC1CNC2=C(O1)C=C(C=C2)F Z1258990936 [0,1,0,1,0,0|2,0,0]=4 1098 B13R2.155 NC1COC2=C(C1)C=C(C=C2)Br Z3225516948 [0,1,0,1,0,0|1,0,0]=3 1099 B13R2.155 NC1COC2=C(C1)C=C(C=C2)F Z2146513958 [0,1,0,1,0,0|1,0,0]=3 1100 B13R2.155 OC1=CC2=C(C=C1)CCC(C2)O Z1513811314 [0,1,0,1,0,0|1,0,0]=3 1101 B13R2.155 OC1CNC2=C(C1)C=C(C=C2)Br Z2733593416 [0,1,0,1,0,0|2,0,0]=4 1102 B13R2.155 OC1CNC2=C(C1)C=C(C=C2)F Z1813139692 [0,1,0,1,0,0|2,0,0]=4 1103 B13R2.3021 BrC1=CC(=CC=C1)OC2CNC2 Z3251708429 [0,1,0,1,0,0|2,0,0]=4 1104 B13R2.3021 FC1=CC(=CC=C1)CC2CNC2 Z1695669957 [0,1,0,1,0,0|1,0,0]=3 1105 B13R2.3021 FC1=CC(=CC=C1)OC2CNC2 Z1269178445 [0,1,0,1,0,0|2,0,0]=4 1106 B13R2.5179 CC1=C2OCC(CC2=CC=C1)N Z2168541825 [0,1,0,1,0,0|1,0,0]=3 1107 B13R2.5179 CC1CCC2=C(N1)C=CC=C2O Z1262576864 [0,1,0,1,0,0|2,0,0]=4 1108 B13R2.5179 CC1CNC2=C(C1)C=CC=C2F Z2739831837 [0,1,0,1,0,0|1,0,0]=3 1109 B13R2.5179 OC1=CC=CC2=C1NCC(C2)O Z2737445967 [0,1,0,1,0,0|1,0,0]=3 1110 B13R2.5190 CC1=CC2=C(N1C)C=CC(=C2)O Z1198161075 [0,1,0,1,0,0|0,0,2]=4 1111 B13R2.5190 CC1=NC2=C(N1C)C=CC(=C2)O Z1255488408 [0,1,0,1,0,0|1,0,1]=4 1112 B13R2.5190 CC1CC2=C(C1C)C=CC(=C2)O Z1513871470 [0,1,0,1,0,0|1,0,0]=3 1113 B13R2.5190 CC1CC2=C(C1N)C=CC(=C2)Br Z5129562645 [0,1,0,1,0,0|1,0,0]=3 1114 B13R2.5190 CC1OC2=C(C1N)C=CC(=C2)Br Z5090873656 [0,1,0,1,0,0|2,0,0]=4 1115 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)O Z1255384169 [0,1,0,1,0,0|1,0,1]=4 1116 B13R2.5190 CN1CC2=C(C1=O)C=CC(=C2)O Z1255392092 [0,1,0,1,0,0|2,0,0]=4 1117 B13R2.2964 N[C@@H]1C[C@H]1C2=CC(=CC(=C2)Br)Br Z4750771031 [0,1,0,1,0,0|1,0,0]=3 1118 B13R2.2964 N[C@@H]1C[C@H]1C2=CC(=CC(=C2)Cl)Cl Z3317292635 [0,1,0,1,0,0|1,0,0]=3 1119 B13R2.3051 CC1(CC2=C(C1)C=C(C=C2)N)C Z2894245187 [0,1,0,1,0,0|2,0,0]=4 1120 B13R2.3051 CC1(CC2=C(C1)C=C(C=C2)O)C Z1513871406 [0,1,0,1,0,0|1,0,0]=3 1121 B13R2.3051 CC1(CC2=C(O1)C=CC(=C2)Br)C Z975902306 [0,1,0,1,0,0|2,0,0]=4 1122 B13R2.3051 CC1(CC2=C(O1)C=CC(=C2)N)C Z975901294 [0,1,0,1,0,0|2,0,0]=4 1123 B13R2.4826 CC1(CC2=C(C1)C(=CC=C2)N)C Z4509556847 [0,1,0,1,0,0|2,0,0]=4 1124 B13R2.4826 CC1(CC2=C(O1)C(=CC=C2)Br)C Z440813876 [0,1,0,1,0,0|2,0,0]=4 1125 B13R2.4826 CC1(CC2=C(O1)C(=CC=C2)Cl)C Z440813870 [0,1,0,1,0,0|2,0,0]=4 1126 B13R2.4826 CC1(CC2=C(O1)C(=CC=C2)N)C Z1198150086 [0,1,0,1,0,0|2,0,0]=4 1127 B13R2.4826 CC1(CC2=C(O1)C(=CC=C2)O)C Z104472252 [0,1,0,1,0,0|1,0,0]=3 1128 B13R2.4826 CC1(OC2=C(O1)C(=CC=C2)O)C Z1198154502 [0,1,0,1,0,0|2,0,0]=4 1129 B13R2.3127 N[C@@H]1C[C@H]1C2=C(C=CC(=C2)F)F Z2298098032 [0,1,0,1,0,0|1,0,0]=3 1130 B13R2.154 N[C@@H]1C[C@H]1C2=C(C(=CC=C2)Cl)Cl Z2298098020 [0,1,0,1,0,0|1,0,0]=3 1131 B13R2.154 N[C@@H]1C[C@H]1C2=C(C(=CC=C2)F)F Z2298098033 [0,1,0,1,0,0|1,0,0]=3 1132 B13R2.3019 CC1(CC1N)C2=CC(=CC=C2)F Z1695926124 [0,1,0,1,0,0|1,0,0]=3 1133 B13R2.3028 CC1=C(C2=C(N1)C=CC(=C2)O)C Z1509154773 [0,1,0,1,0,0|0,0,2]=4 1134 B13R2.3028 CC1=CC2=C(C=C1)CC(C2N)C Z1625822273 [0,1,0,1,0,0|2,0,0]=4 1135 B13R2.3028 CC1C(=O)NC2=C1C=C(C=C2)O Z1198169095 [0,1,0,1,0,0|1,0,1]=4 1136 B13R2.3028 CC1CC2=C(C1N)C=C(C=C2)F Z1398462002 [0,1,0,1,0,0|2,0,0]=4 1137 B13R2.4825 CC1OC2=C(C=CC=C2C1N)F Z1436181401 [0,1,0,1,0,0|2,0,0]=4 1138 B13R2.4825 C[C@@H]1CC2=C(C=CC=C2[C@@H]1N)Cl Z3172815917 [0,1,0,1,0,0|2,0,0]=4 1139 B13R2.81 COC1=CC(=CC=C1)[C@@H]2C[C@H]2N Z2236704792 [0,1,0,1,0,0|0,0,0]=2 1140 B13R2.581 CC1CC2=C(N1)C(=CC=C2)C#N Z1551926164 [0,1,0,1,0,0|1,0,0]=3 1141 B13R2.581 COC1=C2CC(CC2=CC=C1)N Z1255380738 [0,1,0,1,0,0|0,0,0]=2 1142 B13R2.2121 CC1CC2=C(O1)C=CC(=C2)C=O Z1162122037 [0,1,0,1,0,0|1,0,1]=4 1143 B13R2.2121 CC1CC2=C(O1)C=CC(=C2)CO Z274787916 [0,1,0,1,0,0|1,0,0]=3 1144 B13R2.2121 CN1CC2=C(C1)C=C(C=C2)CO Z1251354292 [0,1,0,1,0,0|2,0,0]=4 1145 B13R2.2121 COC1=CC2=C(C=C1)NC(=C2)C Z1197882538 [0,1,0,1,0,0|0,0,2]=4 1146 B13R2.2121 COC1=CC2=C(C=C1)NC(=N2)C Z1587257377 [0,1,0,1,0,0|1,0,1]=4 1147 B13R2.2121 COC1=CC2=C(C=C1)NC(C2)C Z1255421552 [0,1,0,1,0,0|0,0,0]=2 1148 B13R2.2121 N#CC1=CC2=C(C=C1)CC(C2)N Z1255451461 [0,1,0,1,0,0|1,0,0]=3 1149 B13R3.213 ClC1=CC2=C(C=C1)CC3C2O3 Z1198182425 [0,0,0,2,0,0|2,0,0]=4 1150 B9R1.7 CC1=CC=C(S1)CCN Z3038322398 [1,0,0,0,1,0|2,0,0]=4 1151 B9R1.7 NCCC1=CC=C(O1)Br Z1442016604 [1,0,0,0,1,0|2,0,0]=4 1152 B9R1.7 NCCC1=CC=C(S1)Cl Z432066930 [1,0,0,0,1,0|2,0,0]=4 1153 B9R1.7 NCCC1=CC=C(S1)I Z1262398458 [1,0,0,0,1,0|2,0,0]=4 1154 B9R1.7 NCCC1=CSC(=C1)Br Z4125344523 [1,0,0,0,1,0|2,0,0]=4 1155 B9R1.33 NCCC1=C(SC=C1)Cl Z4606142914 [1,0,0,0,1,0|2,0,0]=4 1156 B9R1.33 NCCC1=CNN=C1O Z4623367325 [1,0,0,0,1,0|2,0,0]=4 1157 B9R1.6 CC(=O)C1=CC=CC=C1 Z57127548 [1,0,0,0,1,0|1,0,1]=4 1158 B9R1.6 CC(C)C1=NC=CC=C1 Z1198148831 [1,0,0,0,1,0|2,0,0]=4 1159 B9R1.6 CC(N)C1=CC=CC=C1 Z57102377 [1,0,0,0,1,0|0,0,0]=2 1160 B9R1.6 CC(N)C1=CN=CC=C1 Z85921957 [1,0,0,0,1,0|1,0,0]=3 1161 B9R1.6 CC(N)C1=NC=CC=C1 Z56347059 [1,0,0,0,1,0|1,0,0]=3 1162 B9R1.6 CC(N)C1=NC=CC=N1 Z2945456281 [1,0,0,0,1,0|2,0,0]=4 1163 B9R1.6 CC(O)C1=CC=CC=C1 Z104494956 [1,0,0,0,1,0|1,0,0]=3 1164 B9R1.6 CC(O)C1=CC=NC=C1 Z335245082 [1,0,0,0,1,0|2,0,0]=4 1165 B9R1.6 CC(O)C1=CN=CC=C1 Z335245084 [1,0,0,0,1,0|2,0,0]=4 1166 B9R1.6 CC(O)C1=NC=CC=C1 Z335244914 [1,0,0,0,1,0|2,0,0]=4 1167 B9R1.6 CN(N)C1=CC=CC=C1 Z57985384 [1,0,0,0,1,0|1,0,0]=3 1168 B9R1.6 C[C@@H](N)C1=CC=CC=C1 Z1079183182 [1,0,0,0,1,0|0,0,0]=2 1169 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Z1197994836 [1,0,0,0,1,0|1,0,0]=3 1170 B9R1.6 C[C@@H](O)C1=CC=CC=C1 Z360055166 [1,0,0,0,1,0|1,0,0]=3 1171 B9R1.6 C[C@H](N)C1=CC=CC=C1 Z1079131570 [1,0,0,0,1,0|0,0,0]=2 1172 B9R1.6 C[C@H](N)C1=CC=NC=C1 Z1492781304 [1,0,0,0,1,0|1,0,0]=3 1173 B9R1.6 C[C@H](O)C1=CC=CC=C1 Z360055168 [1,0,0,0,1,0|1,0,0]=3 1174 B9R1.6 N=C(N)C1=CC=CC=C1 Z166624376 [1,0,0,0,1,0|1,0,1]=4 1175 B9R1.6 NC(=S)C1=CC=CC=C1 Z57070430 [1,0,0,0,1,0|1,0,1]=4 1176 B9R1.13 CC(N)CC1=CC=CO1 Z285143986 [1,0,0,0,1,0|1,0,0]=3 1177 B9R1.13 CC(N)CC1=CC=CS1 Z1160899518 [1,0,0,0,1,0|1,0,0]=3 1178 B9R1.13 CC(N)CC1=CNN=C1 Z5233405251 [1,0,0,0,1,0|2,0,0]=4 1179 B9R1.13 CC(N)CC1=COC=C1 Z1098234443 [1,0,0,0,1,0|1,0,0]=3 1180 B9R1.13 CC(N)CN1C=CC=N1 Z271011614 [1,0,0,0,1,0|2,0,0]=4 1181 B9R1.13 CC(N)CN1C=CN=C1 Z271011862 [1,0,0,0,1,0|2,0,0]=4 1182 B9R1.35 CC(N)C1=CC(=CS1)Br Z3874998794 [0,0,0,0,2,0|2,0,0]=4 1183 B9R1.35 CC(N)C1=CN(C=C1)C Z1216817109 [0,0,0,0,2,0|2,0,0]=4 1184 B9R1.35 CC1=CC=C(O1)C(C)N Z119990422 [0,0,0,0,2,0|2,0,0]=4 1185 B9R1.35 CC1=CC=C(S1)C(C)N Z285186066 [0,0,0,0,2,0|2,0,0]=4 1186 B9R1.35 C[C@@H](N)C1=CC=C(S1)Cl Z1587257446 [0,0,0,0,2,0|2,0,0]=4 1187 B9R1.35 C[C@H](N)C1=CC=C(S1)Br Z1753032856 [0,0,0,0,2,0|2,0,0]=4 1188 B9R1.35 C[C@H](N)C1=CC=C(S1)Cl Z1583815700 [0,0,0,0,2,0|2,0,0]=4 1189 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [1,0,0,0,0,1|1,0,1]=4 1190 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [1,0,0,0,0,1|1,0,1]=4 1191 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [1,0,0,0,0,1|1,0,1]=4 1192 B11R1.91 CC(C)CNC1=CC=CC=C1 Z2092369729 [1,0,0,0,0,1|1,0,0]=3 1193 B11R1.91 CC(C)COC1=CN=CC=C1 Z1606818727 [1,0,0,0,0,1|2,0,0]=4 1194 B11R1.91 CC(C)NCC1=CN=CC=C1 Z90502194 [1,0,0,0,0,1|2,0,0]=4 1195 B11R1.91 CC(C)NCC1=NC=CC=C1 Z90502192 [1,0,0,0,0,1|2,0,0]=4 1196 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [1,0,0,0,0,1|0,0,0]=2 1197 B11R1.91 CC(N)COC1=CC=CC=C1 Z600397650 [1,0,0,0,0,1|0,0,0]=2 1198 B11R1.91 CC(O)CNC1=CC=CC=C1 Z234898271 [1,0,0,0,0,1|1,0,0]=3 1199 B11R1.91 CN(C)CCC1=CC=CC=C1 Z168912026 [1,0,0,0,0,1|2,0,0]=4 1200 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [1,0,0,0,0,1|0,0,0]=2 1201 B11R1.91 FC(F)SCC1=CC=CC=C1 Z55626056 [1,0,0,0,0,1|2,0,0]=4 1202 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [1,0,0,0,0,1|1,0,1]=4 1203 B11R1.91 N=C(N)COC1=CC=CC=C1 Z1532540938 [1,0,0,0,0,1|1,0,1]=4 1204 B11R1.91 N=C(N)CSC1=CC=CC=C1 Z1532718998 [1,0,0,0,0,1|1,0,1]=4 1205 B11R1.91 N=C(N)SCC1=CC=CC=C1 Z89242849 [1,0,0,0,0,1|1,0,1]=4 1206 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [1,0,0,0,0,1|1,0,1]=4 1207 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [1,0,0,0,0,1|1,0,1]=4 1208 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [1,0,0,0,0,1|1,0,1]=4 1209 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [1,0,0,0,0,1|1,0,1]=4 1210 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [1,0,0,0,0,1|1,0,1]=4 1211 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [1,0,0,0,0,1|1,0,1]=4 1212 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [1,0,0,0,0,1|1,0,1]=4 1213 B11R1.91 NC(=S)COC1=CC=CC=C1 Z108595128 [1,0,0,0,0,1|1,0,1]=4 1214 B11R1.91 NC(=S)NCC1=CC=CC=C1 Z56900892 [1,0,0,0,0,1|1,0,1]=4 1215 B13R1.149 C=C(C)CNCC1=CC(=CC=C1)O Z1741933704 [0,0,0,0,0,2|1,0,1]=4 1216 B13R1.149 CC(C)CCOC1=CC(=CC=C1)N Z239604758 [0,0,0,0,0,2|2,0,0]=4 1217 B13R1.149 CC(C)CNCC1=CC(=CC=C1)O Z86135906 [0,0,0,0,0,2|1,0,0]=3