0 B10R1.18 C/[N+](=C/C1=CC=NC=C1)/[O-] Z57107897 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 CC(=O)CC1=CC=NC=C1 Z992409812 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 CC(=O)CC1=NC=CN=C1 Z1098219337 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 CC(=O)NC1=CN=CC=C1 Z31791378 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.18 CC(C)CC1=NC=CC=C1 Z1201621742 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.18 CC(C)NC1=CC=CC=C1 Z104475020 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.18 CC(C)NC1=CN=CC=C1 Z334882282 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.18 CC(C)NC1=NC=CC=N1 Z31190928 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.18 CC(C)OC1=CC=NC=C1 Z1140308716 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.18 CC(N)CC1=CC=NC=C1 Z285143992 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.18 CC(N)CC1=CCCCC1 Z3482384154 [0,0,0,0,0,0|0,0,4]=4 14 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.18 CC(O)CC1=CC=NC=C1 Z992409872 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.18 CC(O)CC1=NC=CC=C1 Z513750714 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.18 CN(C)CC1=CN=CC=C1 Z140563088 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.18 CN(C)CC1=NC=CC=C1 Z4614651190 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.18 FC(F)OC1=CN=CC=C1 Z808605476 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [0,0,0,0,0,0|1,0,1]=2 21 B10R1.18 N=C(N)CC1=CC=NC=C1 Z2441004470 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.18 N=C(N)CC1=CN=CC=C1 Z2350941593 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [0,0,0,0,0,0|1,0,1]=2 24 B10R1.18 NC(=O)CC1=CC=NC=C1 Z234895093 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.18 NC(=O)CC1=CN=CN=C1 Z1203583458 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.18 NC(=O)NC1=NC=CC=C1 Z208358454 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [0,0,0,0,0,0|1,0,1]=2 29 B10R1.18 NC(=S)NC1=CC=CC=C1 Z57474172 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.18 NC(=S)NC1=NC=CC=C1 Z57106231 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.18 O=C(O)CC1=CC=NC=C1 Z271099418 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.18 O=C(O)CC1=CN=CC=C1 Z285131558 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 Z995236210 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.18 OB(O)CC1=CC=CC=C1 Z1147227831 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [1,0,0,0,0,0|0,0,0]=1 37 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.8 CCCC1=NN=CC=C1 Z1486025396 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 CCNC1=CC=CC=C1 Z104472482 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.8 CCNC1=CC=NC=C1 Z359297730 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 CCNC1=CN=CC=C1 Z334882416 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 CCNC1=NN=CC=C1 Z991530898 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.8 CCSC1=CC=NC=C1 Z1376454759 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 CNCC1=CC=NC=C1 Z57390007 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 CNCC1=CN=CC=C1 Z56963341 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.8 CNCC1=NC=CC=N1 Z2310727788 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.8 CNCC1=NC=CN=C1 Z385447136 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.8 CNCC1=NC=NC=C1 Z2871313713 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.8 CSCC1=CN=CC=C1 Z599631354 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.8 N#CCC1=CN=CC=C1 Z239871646 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.8 N#CCC1=NC=CC=C1 Z104476888 [1,0,0,0,0,0|1,0,2]=4 52 B9R1.8 N#COC1=CC=CC=C1 Z1198165353 [1,0,0,0,0,0|1,0,2]=4 53 B9R1.8 NCCC1=CC=NC=C1 Z241056520 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.8 NCCC1=CN=NC=C1 Z3070743015 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.8 NCCC1=NC=CN=C1 Z1925930460 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.8 NCCC1=NC=NC=C1 Z2935002210 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.8 NNCC1=CN=CC=C1 Z370706826 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [1,0,0,0,0,0|1,0,0]=2 62 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [1,0,0,0,0,0|1,0,1]=3 63 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.8 OCCC1=NC=CN=C1 Z234895105 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.8 OCCC1=NC=NC=C1 Z1250886882 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.8 S=C=NC1=CC=CC=C1 Z56904678 [1,0,0,0,0,0|2,0,1]=4 69 B11R1.20 C/[N+](=C/C1=CC=C(C=C1)Br)/[O-] Z57107891 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.20 C/[N+](=C/C1=CC=C(C=C1)Cl)/[O-] Z57107890 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.20 CC(=O)CC1=CC=C(C=C1)F Z329711590 [0,1,0,0,0,0|1,0,1]=3 72 B11R1.20 CC(=O)NC1=CC=C(C=C1)C Z28134680 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl Z28161730 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.20 CC(=O)NC1=CC=C(C=C1)F Z27805821 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.20 CC(=O)NC1=CC=C(C=C1)I Z30316374 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.20 CC(=O)NC1=CC=C(C=C1)N Z56926521 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.20 CC(=O)NC1=CC=C(C=C1)O Z56946051 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.20 CC(=O)NC1=CC=C(C=C1)S Z104484984 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.20 CC(=O)OC1=CC=C(C=C1)O Z1198155166 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.20 CC(=S)NC1=CC=C(C=C1)F Z56756640 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.20 CC(C)CC1=CC=C(C=C1)N Z1463350056 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.20 CC(C)CC1=NC=C(C=C1)Br Z1269179231 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.20 CC(C)CC1=NC=C(C=N1)N Z381402572 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.20 CC(C)NC1=CC=C(C=C1)Cl Z993967140 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.20 CC(C)NC1=CC=C(C=C1)F Z266481896 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.20 CC(C)NC1=NC=C(C=C1)Br Z359297038 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.20 CC(C)OC1=CC=C(C=C1)Br Z53834735 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.20 CC(C)OC1=CC=C(C=C1)I Z54181200 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.20 CC(C)OC1=NC=C(C=C1)Br Z808608768 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.20 CC(N)CC1=CC=C(C=C1)O Z57102382 [0,1,0,0,0,0|0,0,0]=1 91 B11R1.20 CC1=CC=C(C=C1)CC(=N)N Z3244909870 [0,1,0,0,0,0|1,0,1]=3 92 B11R1.20 CC1=CC=C(C=C1)CC(=O)O Z104507548 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.20 CC1=CC=C(C=C1)NC(=O)N Z56754677 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.20 CC1=CC=C(C=C1)NC(=S)N Z57965505 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.20 CC1=CC=C(C=C1)NC(C)C Z992717194 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.20 CC1=CC=C(C=C1)OC(C)C Z53834229 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.20 CN(C)CC1=CC=C(C=C1)N Z228584348 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.20 CN(C)CC1=CN=C(C=C1)N Z1723849137 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.20 FC(F)SC1=CC=C(C=C1)Cl Z55625938 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.20 FC1=CC=C(C=C1)OC(F)F Z55671914 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.20 N=C(N)CC1=CC=C(C=C1)Br Z1518844582 [0,1,0,0,0,0|1,0,1]=3 102 B11R1.20 N=C(N)CC1=CC=C(C=C1)F Z415636754 [0,1,0,0,0,0|1,0,1]=3 103 B11R1.20 N=C(N)NC1=CC=C(C=C1)Br Z5099116935 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.20 N=C(N)NC1=CC=C(C=C1)Cl Z2931635778 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.20 N=C(N)NC1=CC=C(C=C1)N Z2471157136 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.20 NC(=O)CC1=CC=C(C=C1)Br Z33546958 [0,1,0,0,0,0|1,0,1]=3 107 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl Z33546677 [0,1,0,0,0,0|1,0,1]=3 108 B11R1.20 NC(=O)CC1=CC=C(C=C1)F Z33546755 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.20 NC(=O)CC1=CC=C(C=C1)N Z234895133 [0,1,0,0,0,0|1,0,1]=3 110 B11R1.20 NC(=O)NC1=CC=C(C=C1)Br Z89283357 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl Z56754682 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.20 NC(=O)NC1=CC=C(C=C1)F Z166687094 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.20 NC(=O)NC1=CC=C(C=C1)I Z56754684 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.20 NC(=O)NC1=CC=C(C=C1)N Z239123648 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.20 NC(=S)CC1=CC=C(C=C1)F Z285131734 [0,1,0,0,0,0|1,0,1]=3 116 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl Z56939186 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.20 NC(=S)NC1=CC=C(C=C1)F Z57455239 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.20 NC1=CC=C(C=C1)CC(=O)O Z104481066 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.20 NC1=CC=C(C=C1)OC(F)F Z56899041 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.20 NC1=CC=C(C=C1)SC(F)F Z335451374 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.20 O=C(Cl)CC1=CC=C(C=C1)Cl Z217293314 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br Z90121253 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.20 O=C(O)CC1=CC=C(C=C1)Cl Z104477676 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.20 O=C(O)CC1=CC=C(C=C1)F Z104477312 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 Z1255485389 [0,1,0,0,0,0|1,0,2]=4 126 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 Z1255383314 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Z3234810419 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 Z31506242 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 Z1255506457 [0,1,0,0,0,0|1,0,1]=3 130 B11R1.36 CC(C)C(=O)C1=CC=NC=C1 Z513733918 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.36 CC(C)C(=O)C1=CN=CC=C1 Z513733850 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.36 CC(C)C(N)C1=CC=NC=C1 Z513796098 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.36 CC(C)C(N)C1=NC=CC=C1 Z513795924 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.36 CC(C)C(O)C1=NC=CC=C1 Z513749462 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 Z199509008 [0,1,0,0,0,0|1,0,1]=3 136 B11R1.36 CC(N)C(C)C1=CC=CC=C1 Z1203578901 [0,1,0,0,0,0|0,0,0]=1 137 B11R1.36 CC(N)C(O)C1=CC=NC=C1 Z1263602353 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Z2588063686 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.36 CN(C(=N)N)C1=CC=CC=C1 Z1269638527 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.36 CN(O)C(=O)C1=CC=CC=C1 Z1416187404 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 Z57069256 [0,1,0,0,0,0|1,0,1]=3 142 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 Z57204607 [0,1,0,0,0,0|1,0,1]=3 143 B11R1.36 NC(=O)C(N)C1=NC=CC=C1 Z1251358507 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 Z147647142 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.36 NC(C1=CC=CC=C1)C(F)F Z2211231766 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 Z278101784 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 Z957336528 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 Z104495824 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 Z1203161992 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 Z104473974 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 Z808230894 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 Z1201618616 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 Z1255390767 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.40 C#CC(=O)CC1=CC=CC=C1 Z1266856334 [0,1,0,0,0,0|1,0,2]=4 155 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [0,1,0,0,0,0|0,0,1]=2 156 B11R1.40 C/C(=C\C1=CC=CC=C1)/C=O Z3219847417 [0,1,0,0,0,0|1,0,2]=4 157 B11R1.40 CC(C#N)OC1=CC=CC=C1 Z54191740 [0,1,0,0,0,0|1,0,1]=3 158 B11R1.40 CC(C#N)SC1=CC=NC=C1 Z1373630647 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [0,1,0,0,0,0|0,0,0]=1 161 B11R1.40 CC(CN)NC1=CC=CC=C1 Z1198235985 [0,1,0,0,0,0|1,0,0]=2 162 B11R1.40 CC(CN)OC1=CC=CC=C1 Z1245635737 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.40 CC(CN)SC1=CC=CC=C1 Z844632804 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.40 CCC(=O)CC1=CN=CC=C1 Z992407884 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [0,1,0,0,0,0|0,0,0]=1 166 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [0,1,0,0,0,0|1,0,0]=2 167 B11R1.40 CCC(O)CC1=CC=NC=C1 Z992409862 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.40 CN(C#N)CC1=CC=CC=C1 Z1255506511 [0,1,0,0,0,0|1,0,1]=3 171 B11R1.40 CN(CC1=CC=CC=C1)N=O Z1198147495 [0,1,0,0,0,0|1,0,1]=3 172 B11R1.40 CNC(=O)NC1=CC=CC=C1 Z55293754 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.40 CNC(=S)NC1=CC=CC=C1 Z45796176 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.40 COC(=O)CC1=CC=NC=C1 Z331473808 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.40 COC(=O)CC1=NC=CC=C1 Z147652450 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.40 CS/C(=N/C1=CC=CC=C1)/N Z107728768 [0,1,0,0,0,0|1,0,1]=3 177 B11R1.40 N/C(=N\O)/CC1=NC=CC=C1 Z285132826 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.40 N=C(NN)NC1=CC=CC=C1 Z2768171754 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [0,1,0,0,0,0|0,0,0]=1 180 B11R1.40 NC(CO)CC1=CC=NC=C1 Z1824511267 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.40 NCC(=O)CC1=CC=CC=C1 Z1569708978 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.40 NCC(=O)NC1=CC=CC=C1 Z594413794 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [0,1,0,0,0,0|0,0,0]=1 185 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.40 NNC(=O)CC1=CC=CC=C1 Z56867310 [0,1,0,0,0,0|1,0,1]=3 187 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 Z90123523 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.40 NNC(=O)NC1=CC=CC=C1 Z56855648 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.40 NNC(=S)NC1=CC=CC=C1 Z56836896 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [0,1,0,0,0,0|0,0,0]=1 191 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [0,1,0,0,0,0|0,0,0]=1 192 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Z164706024 [0,1,0,0,0,0|1,0,1]=3 193 B11R1.40 O=C(CCl)NC1=CC=CC=C1 Z56889119 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.40 O=C(CO)NC1=CC=CC=C1 Z228585444 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.86 CC(=O)CC1=C(C=CC=C1)C Z329711570 [0,1,0,0,0,0|1,0,1]=3 196 B11R1.86 CC(=O)CC1=C(C=CC=C1)Cl Z329711556 [0,1,0,0,0,0|1,0,1]=3 197 B11R1.86 CC(=O)CC1=C(C=CC=C1)I Z1335657335 [0,1,0,0,0,0|1,0,1]=3 198 B11R1.86 CC(=O)CC1=C(C=CC=C1)O Z1198152110 [0,1,0,0,0,0|1,0,1]=3 199 B11R1.86 CC(=O)CC1=C(C=NC=C1)C Z4958080575 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.86 CC(=O)CN1C=CC=CC1=O Z1881599491 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.86 CC(=O)NC1=C(C=CC=C1)N Z239120544 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.86 CC(=O)NC1=C(C=CC=C1)O Z57040482 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.86 CC(=O)OC1=C(C=CC=C1)O Z1513803522 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.86 CC(C)CC1=C(C=CC=C1)N Z1171158156 [0,1,0,0,0,0|1,0,0]=2 205 B11R1.86 CC(C)NC1=C(C=CC=C1)Br Z334939134 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.86 CC(C)NC1=C(C=CC=C1)I Z362774390 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.86 CC(C)OC1=C(C=CC=C1)Br Z54690481 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.86 CC(C)OC1=C(C=CC=C1)Cl Z53833775 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.86 CC(C)OC1=C(C=CC=C1)N Z239604736 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.86 CC(C)OC1=C(C=CC=N1)O Z1255389451 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.86 CC(C)OC1=C(C=NC=C1)N Z2786079501 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.86 CC(C)OC1=C(N=CC=C1)N Z1809367930 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.86 CC(C)SC1=C(C=CC=C1)N Z316174692 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.86 CC(N)CC1=C(C=CC=C1)Br Z1416200939 [0,1,0,0,0,0|0,0,0]=1 215 B11R1.86 CC(N)CC1=C(C=CC=C1)Cl Z415728108 [0,1,0,0,0,0|0,0,0]=1 216 B11R1.86 CC1=C(C=CC=C1)CC(=N)N Z1374778803 [0,1,0,0,0,0|1,0,1]=3 217 B11R1.86 CC1=C(C=CC=C1)CC(=O)N Z52214433 [0,1,0,0,0,0|1,0,1]=3 218 B11R1.86 CC1=C(C=CC=C1)CC(=O)O Z104503424 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.86 CC1=C(C=CC=C1)CC(C)N Z594038086 [0,1,0,0,0,0|0,0,0]=1 220 B11R1.86 CC1=C(C=CC=C1)NC(=S)N Z199467218 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.86 CC1=C(C=CC=C1)NC(C)C Z267168760 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.86 CC1=C(C=CN=C1)CC(C)N Z4926043046 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.86 CN(C)CC1=C(C=CC=C1)Cl Z54750062 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.86 CN(C)CC1=C(C=CC=C1)N Z285162890 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.86 CN(C)CC1=C(C=CC=N1)O Z56957565 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.86 CS(=O)CC1=C(C=CC=C1)N Z802580910 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.86 FC(F)OC1=C(C=CC=C1)Br Z295440616 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.86 N=C(N)CC1=C(C=CC=C1)Br Z1742055055 [0,1,0,0,0,0|1,0,1]=3 229 B11R1.86 N=C(N)CC1=C(C=CC=C1)F Z1695738915 [0,1,0,0,0,0|1,0,1]=3 230 B11R1.86 NC(=O)CC1=C(C=CC=C1)Cl Z33547171 [0,1,0,0,0,0|1,0,1]=3 231 B11R1.86 NC(=O)CC1=C(C=CC=C1)F Z33546803 [0,1,0,0,0,0|1,0,1]=3 232 B11R1.86 NC(=O)CC1=C(C=CC=C1)N Z239125326 [0,1,0,0,0,0|1,0,1]=3 233 B11R1.86 NC(=O)CC1=C(C=CC=C1)O Z1255356155 [0,1,0,0,0,0|1,0,1]=3 234 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br Z247615996 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.86 NC(=O)NC1=C(C=CC=C1)Cl Z56754680 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.86 NC(=O)NC1=C(C=CC=C1)F Z57028527 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.86 NC(=S)NC1=C(C=CC=C1)F Z199467164 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.86 NC1=C(C=CC=C1)OC(F)F Z2517097718 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.86 NC1=C(C=CC=C1)SC(F)F Z85956866 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.86 O=C(O)CC1=C(C=CC=C1)Br Z285184626 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.86 O=C(O)CC1=C(C=CC=C1)Cl Z56911957 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.86 O=C(O)CC1=C(C=CC=C1)F Z104495526 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.86 O=C(O)CC1=C(C=CC=C1)I Z1269196288 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.86 O=C(O)CC1=C(C=CC=C1)O Z608061328 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.86 O=[N+]([O-])CC1=C(C=CC=C1)F Z2182028452 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.86 OB(O)CC1=C(C=CC=C1)Cl Z1147227737 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.86 OC1=C(C=CC=C1)OC(F)F Z381415218 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.86 OC1=C(C=CC=C1)SC(F)F Z905204310 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.157 CC(=O)CC1=CC(=CC=C1)Br Z513735382 [0,1,0,0,0,0|1,0,1]=3 250 B11R1.157 CC(=O)CC1=CC(=CC=C1)Cl Z513733552 [0,1,0,0,0,0|1,0,1]=3 251 B11R1.157 CC(=O)CC1=CC(=CC=C1)F Z329711550 [0,1,0,0,0,0|1,0,1]=3 252 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br Z27788933 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.157 CC(=O)NC1=CC(=CC=C1)I Z26432839 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.157 CC(=O)NC1=CC(=CC=C1)N Z56926524 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.157 CC(=O)NC1=CC(=CC=C1)O Z31717082 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.157 CC(C)CC1=CC(=CC=C1)I Z1618143122 [0,1,0,0,0,0|1,0,0]=2 257 B11R1.157 CC(C)CC1=CC(=NC=C1)N Z1197889925 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.157 CC(C)CC1=NC=NC(=C1)Cl Z1198234909 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.157 CC(C)NC1=CC(=CC=C1)Br Z266469772 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.157 CC(C)NC1=CC(=CC=C1)F Z266497380 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.157 CC(C)NC1=CC(=CC=C1)O Z335562192 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.157 CC(C)OC1=CC(=CC=C1)Br Z53833977 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.157 CC(C)OC1=CC(=CC=C1)N Z239604760 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.157 CC(C)OC1=CC(=CC=C1)O Z381415570 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.157 CC(C)OC1=CC(=CN=C1)Br Z1206893743 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.157 CC(N)CC1=CC(=CC=C1)Br Z1259341031 [0,1,0,0,0,0|0,0,0]=1 267 B11R1.157 CC(N)CC1=CC(=CC=C1)Cl Z425389644 [0,1,0,0,0,0|0,0,0]=1 268 B11R1.157 CC(N)CC1=CC(=CC=C1)O Z285144026 [0,1,0,0,0,0|0,0,0]=1 269 B11R1.157 CC(O)CC1=CC(=CC=C1)F Z513751286 [0,1,0,0,0,0|1,0,0]=2 270 B11R1.157 CC1=CC(=CC=C1)NC(=N)N Z979503154 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.157 CC1=CC(=CC=C1)NC(=S)N Z56921365 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.157 CN(C)CC1=CC(=CC=C1)N Z285162888 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.157 CN(C)CC1=CC(=CN=C1)N Z2181809496 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.157 CN(C)CC1=CC(=NC=C1)N Z991479938 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.157 CS(=O)CC1=CC(=CC=C1)N Z802580778 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.157 N=C(N)CC1=CC(=CC=C1)Br Z1636723568 [0,1,0,0,0,0|1,0,1]=3 277 B11R1.157 N=C(N)CC1=CC(=CC=C1)F Z1695709629 [0,1,0,0,0,0|1,0,1]=3 278 B11R1.157 N=C(N)NC1=CC(=CC=C1)Cl Z979503082 [0,1,0,0,0,0|2,0,1]=4 279 B11R1.157 NC(=O)CC1=CC(=CC=C1)Cl Z992289380 [0,1,0,0,0,0|1,0,1]=3 280 B11R1.157 NC(=O)CC1=CC(=CC=C1)I Z1419030795 [0,1,0,0,0,0|1,0,1]=3 281 B11R1.157 NC(=O)CC1=CC(=CC=C1)O Z816010252 [0,1,0,0,0,0|1,0,1]=3 282 B11R1.157 NC(=O)NC1=CC(=CC=C1)Br Z198194688 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.157 NC(=O)NC1=CC(=CC=C1)Cl Z166687084 [0,1,0,0,0,0|2,0,1]=4 284 B11R1.157 NC(=O)NC1=CC(=CC=C1)I Z198194890 [0,1,0,0,0,0|2,0,1]=4 285 B11R1.157 NC(=O)NC1=CC(=CC=C1)N Z235352405 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.157 NC(=O)NC1=CC(=CC=C1)O Z335810106 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.157 NC(=S)NC1=CC(=CC=C1)Br Z111871258 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.157 NC(=S)NC1=CC(=CC=C1)Cl Z199466968 [0,1,0,0,0,0|2,0,1]=4 289 B11R1.157 NC(=S)NC1=CC(=CC=C1)O Z199466960 [0,1,0,0,0,0|2,0,1]=4 290 B11R1.157 NC1=CC(=CC=C1)CC(=O)O Z992267406 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.157 NC1=CC(=CC=C1)CC(F)F Z4075414750 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.157 NC1=CC(=CC=C1)OC(F)F Z119989016 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.157 NC1=CC(=CC=C1)SC(F)F Z1020693248 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.157 O=C(O)CC1=CC(=CC=C1)Br Z285131530 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.157 O=C(O)CC1=CC(=CC=C1)Cl Z285184608 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.157 O=C(O)CC1=CC(=CC=C1)F Z104486030 [0,1,0,0,0,0|2,0,1]=4 297 B11R1.157 O=C(O)CC1=CC(=CC=C1)I Z1269113140 [0,1,0,0,0,0|2,0,1]=4 298 B11R1.157 O=C(O)CC1=CC(=CC=C1)O Z816000338 [0,1,0,0,0,0|2,0,1]=4 299 B11R1.157 O=[N+]([O-])CC1=CC(=CC=C1)F Z2181775549 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.509 CC(C)(C)NC1=CC=NC=C1 Z1416163563 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 Z89268868 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.509 NS(=O)(=O)CC1=CN=CC=C1 Z385450900 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.509 NS(=O)(=O)CC1=NC=CC=C1 Z385450902 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.509 NS(=O)(=O)NC1=CC=CC=C1 Z1425690842 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 Z1255360895 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 Z190630174 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.509 O=S(=O)([O-])CC1=CC=CC=C1 Z3206129658 [0,1,0,0,0,0|3,0,0]=4 308 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z2309888982 [0,0,0,1,0,0|0,0,0]=1 309 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 Z2296167800 [0,0,0,1,0,0|0,0,0]=1 310 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2517097696 [0,0,0,1,0,0|0,0,0]=1 311 B11R2.10 CC1=CC2=C(N1)C=CC=N2 Z1255424933 [0,0,0,1,0,0|1,0,2]=4 312 B11R2.10 CC1=CC2=C(N1)C=CN=C2 Z1255388194 [0,0,0,1,0,0|1,0,2]=4 313 B11R2.10 CC1=CC2=C(N1)C=NC=C2 Z1198174139 [0,0,0,1,0,0|1,0,2]=4 314 B11R2.10 CC1=CC2=C(N1)N=CC=C2 Z1198180660 [0,0,0,1,0,0|1,0,2]=4 315 B11R2.10 CC1=CC2=C(O1)C=CC=C2 Z1255386706 [0,0,0,1,0,0|1,0,2]=4 316 B11R2.10 CC1=NC2=C(N1)C=CC=C2 Z55692894 [0,0,0,1,0,0|1,0,1]=3 317 B11R2.10 CC1=NC2=C(N1)N=CC=C2 Z857667464 [0,0,0,1,0,0|2,0,1]=4 318 B11R2.10 CC1=NC2=C(S1)C=CC=C2 Z2854344256 [0,0,0,1,0,0|1,0,2]=4 319 B11R2.10 CC1CC2=C(N1)C=CC=C2 Z104472410 [0,0,0,1,0,0|0,0,0]=1 320 B11R2.10 CC1CC2=C(N1)C=CN=C2 Z1203822742 [0,0,0,1,0,0|1,0,0]=2 321 B11R2.10 CC1CC2=C(O1)C=CC=C2 Z104378304 [0,0,0,1,0,0|1,0,0]=2 322 B11R2.10 ClC1=NC2=C(N1)C=CC=C2 Z276129254 [0,0,0,1,0,0|2,0,1]=4 323 B11R2.10 NC1=NC2=C(C1)C=CC=C2 Z2692198892 [0,0,0,1,0,0|1,0,1]=3 324 B11R2.10 NC1=NC2=C(N1)C=CC=C2 Z104378302 [0,0,0,1,0,0|2,0,1]=4 325 B11R2.10 NC1=NC2=C(O1)C=CC=C2 Z57069972 [0,0,0,1,0,0|2,0,1]=4 326 B11R2.10 NC1=NC2=C(S1)C=CC=C2 Z56912586 [0,0,0,1,0,0|2,0,1]=4 327 B11R2.10 NC1CC2=C(C1)C=CC=C2 Z1741971562 [0,0,0,1,0,0|0,0,0]=1 328 B11R2.10 NC1CC2=C(C1)C=NC=C2 Z2238944796 [0,0,0,1,0,0|1,0,0]=2 329 B11R2.10 NC1CC2=C(C1)N=CC=C2 Z3069017080 [0,0,0,1,0,0|1,0,0]=2 330 B11R2.10 NC1CC2=C(C1)N=CC=N2 Z4953585301 [0,0,0,1,0,0|2,0,0]=3 331 B11R2.10 O=C1CC2=C(C1)C=CC=C2 Z104486120 [0,0,0,1,0,0|1,0,1]=3 332 B11R2.10 O=C1CC2=C(N1)C=CC=C2 Z104478112 [0,0,0,1,0,0|1,0,1]=3 333 B11R2.10 O=C1CC2=C(N1)C=CC=N2 Z1198159859 [0,0,0,1,0,0|2,0,1]=4 334 B11R2.10 O=C1NC2=C(N1)C=CC=C2 Z56924489 [0,0,0,1,0,0|2,0,1]=4 335 B11R2.10 O=C1NC2=C(O1)C=CC=C2 Z56854468 [0,0,0,1,0,0|2,0,1]=4 336 B11R2.10 O=C1NC2=C(S1)C=CC=C2 Z57728688 [0,0,0,1,0,0|2,0,1]=4 337 B11R2.10 SC1=NC2=C(N1)C=CC=C2 Z203045044 [0,0,0,1,0,0|2,0,1]=4 338 B11R2.238 C1=CC(=CN=C1)NC2CC2 Z1203747527 [0,0,0,1,0,0|3,0,0]=4 339 B11R2.238 C1=CC=C(C=C1)CC2CO2 Z1020680006 [0,0,0,1,0,0|1,0,0]=2 340 B11R2.238 C1=CC=C(C=C1)C[C@@H]2CO2 Z1617991494 [0,0,0,1,0,0|1,0,0]=2 341 B11R2.238 C1=CC=C(C=C1)C[C@H]2CO2 Z2216712384 [0,0,0,1,0,0|1,0,0]=2 342 B11R2.238 C1=CC=C(C=C1)NC2CC2 Z1203731288 [0,0,0,1,0,0|2,0,0]=3 343 B9R1.6 CC(=O)C1=CC=CC=C1 Z57127548 [0,0,0,0,1,0|1,0,1]=3 344 B9R1.6 CC(=O)C1=CN=CC=C1 Z104474436 [0,0,0,0,1,0|2,0,1]=4 345 B9R1.6 CC(=O)C1=NC=CC=C1 Z104474432 [0,0,0,0,1,0|2,0,1]=4 346 B9R1.6 CC(C)C1=NC=CC=C1 Z1198148831 [0,0,0,0,1,0|2,0,0]=3 347 B9R1.6 CC(N)C1=CC=CC=C1 Z57102377 [0,0,0,0,1,0|0,0,0]=1 348 B9R1.6 CC(N)C1=CN=CC=C1 Z85921957 [0,0,0,0,1,0|1,0,0]=2 349 B9R1.6 CC(N)C1=NC=CC=C1 Z56347059 [0,0,0,0,1,0|1,0,0]=2 350 B9R1.6 CC(N)C1=NC=CC=N1 Z2945456281 [0,0,0,0,1,0|2,0,0]=3 351 B9R1.6 CC(O)C1=CC=CC=C1 Z104494956 [0,0,0,0,1,0|1,0,0]=2 352 B9R1.6 CC(O)C1=CC=NC=C1 Z335245082 [0,0,0,0,1,0|2,0,0]=3 353 B9R1.6 CC(O)C1=CN=CC=C1 Z335245084 [0,0,0,0,1,0|2,0,0]=3 354 B9R1.6 CC(O)C1=NC=CC=C1 Z335244914 [0,0,0,0,1,0|2,0,0]=3 355 B9R1.6 CC(O)C1=NC=CN=C1 Z513751834 [0,0,0,0,1,0|3,0,0]=4 356 B9R1.6 CN(C)C1=CC=NC=C1 Z104478964 [0,0,0,0,1,0|3,0,0]=4 357 B9R1.6 CN(C)C1=CN=CC=C1 Z1201619922 [0,0,0,0,1,0|3,0,0]=4 358 B9R1.6 CN(N)C1=CC=CC=C1 Z57985384 [0,0,0,0,1,0|1,0,0]=2 359 B9R1.6 C[C@@H](N)C1=CC=CC=C1 Z1079183182 [0,0,0,0,1,0|0,0,0]=1 360 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Z1197994836 [0,0,0,0,1,0|1,0,0]=2 361 B9R1.6 C[C@@H](O)C1=CC=CC=C1 Z360055166 [0,0,0,0,1,0|1,0,0]=2 362 B9R1.6 C[C@H](N)C1=CC=CC=C1 Z1079131570 [0,0,0,0,1,0|0,0,0]=1 363 B9R1.6 C[C@H](N)C1=CC=NC=C1 Z1492781304 [0,0,0,0,1,0|1,0,0]=2 364 B9R1.6 C[C@H](O)C1=CC=CC=C1 Z360055168 [0,0,0,0,1,0|1,0,0]=2 365 B9R1.6 N=C(N)C1=CC=CC=C1 Z166624376 [0,0,0,0,1,0|1,0,1]=3 366 B9R1.6 N=C(N)C1=CC=NC=C1 Z444349574 [0,0,0,0,1,0|2,0,1]=4 367 B9R1.6 N=C(N)C1=CN=CC=C1 Z444349586 [0,0,0,0,1,0|2,0,1]=4 368 B9R1.6 N=C(N)C1=NC=CC=C1 Z540728738 [0,0,0,0,1,0|2,0,1]=4 369 B9R1.6 NC(=O)C1=CN=CC=C1 Z33546463 [0,0,0,0,1,0|2,0,1]=4 370 B9R1.6 NC(=O)C1=NC=CC=C1 Z33546380 [0,0,0,0,1,0|2,0,1]=4 371 B9R1.6 NC(=S)C1=CC=CC=C1 Z57070430 [0,0,0,0,1,0|1,0,1]=3 372 B9R1.6 NC(=S)C1=CC=NC=C1 Z317055504 [0,0,0,0,1,0|2,0,1]=4 373 B9R1.6 NC(=S)C1=CN=CC=C1 Z56960184 [0,0,0,0,1,0|2,0,1]=4 374 B9R1.6 NC(=S)C1=NC=CC=C1 Z56956073 [0,0,0,0,1,0|2,0,1]=4 375 B9R1.6 O=C(O)C1=CC=CC=C1 Z57127480 [0,0,0,0,1,0|2,0,1]=4 376 B9R1.6 O=[S-](=O)C1=CC=CC=C1 Z104501326 [0,0,0,0,1,0|3,0,0]=4 377 B9R1.6 OB(O)C1=CC=CC=C1 Z111782400 [0,0,0,0,1,0|3,0,0]=4 378 B9R1.13 CC(C)CN1C=CC=N1 Z431509688 [0,0,0,0,1,0|3,0,0]=4 379 B9R1.13 CC(N)CC1=CC=CO1 Z285143986 [0,0,0,0,1,0|1,0,0]=2 380 B9R1.13 CC(N)CC1=CC=CS1 Z1160899518 [0,0,0,0,1,0|1,0,0]=2 381 B9R1.13 CC(N)CC1=CNN=C1 Z5233405251 [0,0,0,0,1,0|2,0,0]=3 382 B9R1.13 CC(N)CC1=COC=C1 Z1098234443 [0,0,0,0,1,0|1,0,0]=2 383 B9R1.13 CC(N)CN1C=CC=N1 Z271011614 [0,0,0,0,1,0|2,0,0]=3 384 B9R1.13 CC(N)CN1C=CN=C1 Z271011862 [0,0,0,0,1,0|2,0,0]=3 385 B9R1.13 CC(N)CN1C=NC=N1 Z271011738 [0,0,0,0,1,0|3,0,0]=4 386 B9R1.13 CC(N)CN1C=NN=C1 Z1154270076 [0,0,0,0,1,0|3,0,0]=4 387 B9R1.13 CC(O)CN1C=CC=N1 Z600458296 [0,0,0,0,1,0|3,0,0]=4 388 B9R1.13 CC(O)CN1C=CN=C1 Z600458136 [0,0,0,0,1,0|3,0,0]=4 389 B9R1.13 CN(C)CC1=CC=CN1 Z810541778 [0,0,0,0,1,0|3,0,0]=4 390 B9R1.13 N=C(N)CC1=CC=CS1 Z1526503402 [0,0,0,0,1,0|2,0,1]=4 391 B9R1.13 NC(=O)CC1=CC=CN1 Z1203579730 [0,0,0,0,1,0|2,0,1]=4 392 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 Z2582847786 [0,0,0,0,0,1|1,0,2]=4 393 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [0,0,0,0,0,1|1,0,1]=3 394 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [0,0,0,0,0,1|1,0,1]=3 395 B11R1.91 CC(=O)NCC1=NC=CC=C1 Z324553036 [0,0,0,0,0,1|2,0,1]=4 396 B11R1.91 CC(=O)NNC1=CC=CC=C1 Z27767717 [0,0,0,0,0,1|2,0,1]=4 397 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [0,0,0,0,0,1|1,0,1]=3 398 B11R1.91 CC(C)CCC1=NC=CN=C1 Z1198147436 [0,0,0,0,0,1|3,0,0]=4 399 B11R1.91 CC(C)CNC1=CC=CC=C1 Z2092369729 [0,0,0,0,0,1|1,0,0]=2 400 B11R1.91 CC(C)COC1=CN=CC=C1 Z1606818727 [0,0,0,0,0,1|2,0,0]=3 401 B11R1.91 CC(C)NCC1=CN=CC=C1 Z90502194 [0,0,0,0,0,1|2,0,0]=3 402 B11R1.91 CC(C)NCC1=NC=CC=C1 Z90502192 [0,0,0,0,0,1|2,0,0]=3 403 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [0,0,0,0,0,1|0,0,0]=1 404 B11R1.91 CC(N)COC1=CC=CC=C1 Z600397650 [0,0,0,0,0,1|0,0,0]=1 405 B11R1.91 CC(O)CNC1=CC=CC=C1 Z234898271 [0,0,0,0,0,1|1,0,0]=2 406 B11R1.91 CN(C)CCC1=CC=CC=C1 Z168912026 [0,0,0,0,0,1|2,0,0]=3 407 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [0,0,0,0,0,1|0,0,0]=1 408 B11R1.91 FC(F)SCC1=CC=CC=C1 Z55626056 [0,0,0,0,0,1|2,0,0]=3 409 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [0,0,0,0,0,1|1,0,1]=3 410 B11R1.91 N=C(N)COC1=CC=CC=C1 Z1532540938 [0,0,0,0,0,1|1,0,1]=3 411 B11R1.91 N=C(N)CSC1=CC=CC=C1 Z1532718998 [0,0,0,0,0,1|1,0,1]=3 412 B11R1.91 N=C(N)NCC1=CC=NC=C1 Z2723680409 [0,0,0,0,0,1|2,0,1]=4 413 B11R1.91 N=C(N)NCC1=NC=CC=C1 Z911465258 [0,0,0,0,0,1|2,0,1]=4 414 B11R1.91 N=C(N)SCC1=CC=CC=C1 Z89242849 [0,0,0,0,0,1|1,0,1]=3 415 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [0,0,0,0,0,1|1,0,1]=3 416 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [0,0,0,0,0,1|2,0,1]=4 417 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [0,0,0,0,0,1|1,0,1]=3 418 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [0,0,0,0,0,1|1,0,1]=3 419 B11R1.91 NC(=O)COC1=CN=CC=C1 Z336080090 [0,0,0,0,0,1|2,0,1]=4 420 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [0,0,0,0,0,1|1,0,1]=3 421 B11R1.91 NC(=O)CSC1=CC=NC=C1 Z33546963 [0,0,0,0,0,1|2,0,1]=4 422 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [0,0,0,0,0,1|1,0,1]=3 423 B11R1.91 NC(=O)NCC1=CC=NC=C1 Z198194796 [0,0,0,0,0,1|2,0,1]=4 424 B11R1.91 NC(=O)NCC1=CN=CC=C1 Z57664442 [0,0,0,0,0,1|2,0,1]=4 425 B11R1.91 NC(=O)NCC1=NC=CC=C1 Z198194794 [0,0,0,0,0,1|2,0,1]=4 426 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [0,0,0,0,0,1|1,0,1]=3 427 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [0,0,0,0,0,1|1,0,1]=3 428 B11R1.91 NC(=S)COC1=CC=CC=C1 Z108595128 [0,0,0,0,0,1|1,0,1]=3 429 B11R1.91 NC(=S)NCC1=CC=CC=C1 Z56900892 [0,0,0,0,0,1|1,0,1]=3 430 B11R1.91 NC(=S)NNC1=CC=CC=C1 Z104483868 [0,0,0,0,0,1|2,0,1]=4 431 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [0,0,0,0,0,1|2,0,1]=4 432 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [0,0,0,0,0,1|2,0,1]=4 433 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [0,0,0,0,0,1|2,0,1]=4 434 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [0,0,0,0,0,1|2,0,1]=4 435 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [0,0,0,0,0,1|3,0,0]=4 436 B11R1.91 O=[N+]([O-])CSC1=CC=CC=C1 Z1255375331 [0,0,0,0,0,1|3,0,0]=4 437 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [0,0,0,0,0,1|3,0,0]=4 438 B8R1.2 C=CC1=CC=CC=C1 Z104474664 [2,0,0,0,0,0|0,0,2]=4 439 B8R1.2 CCC1=CC=CC=C1 Z104473632 [2,0,0,0,0,0|0,0,0]=2 440 B8R1.2 CCC1=CC=NC=C1 Z1251171246 [2,0,0,0,0,0|1,0,0]=3 441 B8R1.2 CCC1=CN=CC=C1 Z104476778 [2,0,0,0,0,0|1,0,0]=3 442 B8R1.2 CCC1=NC=CC=C1 Z113558650 [2,0,0,0,0,0|1,0,0]=3 443 B8R1.2 CCC1=NC=CC=N1 Z1198725952 [2,0,0,0,0,0|2,0,0]=4 444 B8R1.2 CCC1=NC=NC=C1 Z1198725956 [2,0,0,0,0,0|2,0,0]=4 445 B8R1.2 CCC1=NN=CC=C1 Z1222425026 [2,0,0,0,0,0|2,0,0]=4 446 B8R1.2 CNC1=CC=CC=C1 Z104472478 [2,0,0,0,0,0|1,0,0]=3 447 B8R1.2 CNC1=CN=CC=C1 Z1082871080 [2,0,0,0,0,0|2,0,0]=4 448 B8R1.2 COC1=CC=CC=C1 Z53833865 [2,0,0,0,0,0|1,0,0]=3 449 B8R1.2 CSC1=CC=NC=C1 Z1376456468 [2,0,0,0,0,0|2,0,0]=4 450 B8R1.2 Cl[Se]C1=CC=CC=C1 Z1255485131 [2,0,0,0,0,0|2,0,0]=4 451 B8R1.2 N#CC1=CC=CC=C1 Z104473628 [2,0,0,0,0,0|0,0,2]=4 452 B8R1.2 NCC1=CC=CC=C1 Z54748260 [2,0,0,0,0,0|0,0,0]=2 453 B8R1.2 NCC1=CC=NC=C1 Z104474354 [2,0,0,0,0,0|1,0,0]=3 454 B8R1.2 NCC1=CN=CC=C1 Z104474366 [2,0,0,0,0,0|1,0,0]=3 455 B8R1.2 NCC1=CN=CN=C1 Z3244401628 [2,0,0,0,0,0|2,0,0]=4 456 B8R1.2 NCC1=NC=CC=C1 Z104474352 [2,0,0,0,0,0|1,0,0]=3 457 B8R1.2 NCC1=NC=CC=N1 Z1463350843 [2,0,0,0,0,0|2,0,0]=4 458 B8R1.2 NCC1=NC=CN=C1 Z241059702 [2,0,0,0,0,0|2,0,0]=4 459 B8R1.2 NCC1=NC=NC=C1 Z254526552 [2,0,0,0,0,0|2,0,0]=4 460 B8R1.2 NCC1=NN=CC=C1 Z1198165902 [2,0,0,0,0,0|2,0,0]=4 461 B8R1.2 NNC1=CC=CC=C1 Z104472442 [2,0,0,0,0,0|1,0,0]=3 462 B8R1.2 NNC1=NC=CC=C1 Z56887722 [2,0,0,0,0,0|2,0,0]=4 463 B8R1.2 OCC1=CC=CC=C1 Z104476418 [2,0,0,0,0,0|1,0,0]=3 464 B8R1.2 OCC1=CC=NC=C1 Z335244866 [2,0,0,0,0,0|2,0,0]=4 465 B8R1.2 OCC1=CN=CC=C1 Z104495622 [2,0,0,0,0,0|2,0,0]=4 466 B8R1.2 OCC1=NC=CC=C1 Z57921252 [2,0,0,0,0,0|2,0,0]=4 467 B10R1.1 CC1=CC=C(C=C1)CC#N Z285131444 [1,1,0,0,0,0|0,0,2]=4 468 B10R1.1 CC1=CC=C(C=C1)CC=O Z993017610 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [1,1,0,0,0,0|0,0,0]=2 470 B10R1.1 CC1=CC=C(C=C1)CCO Z397587076 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.1 CC1=NC=C(C=C1)CCN Z600584220 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [1,1,0,0,0,0|0,0,0]=2 473 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [1,1,0,0,0,0|0,0,0]=2 474 B10R1.1 CCNC1=CC=C(C=C1)Br Z286365048 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.1 CCNC1=CC=C(C=C1)Cl Z2902298062 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.1 CCNC1=CC=C(C=C1)F Z89270849 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.1 CCNC1=CC=C(C=C1)N Z359511474 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.1 CCNC1=CC=C(C=C1)O Z1823256830 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.1 CCNC1=CNC(=O)C=C1 Z5871830340 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.1 CCNC1=NC=C(C=C1)Br Z359297778 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.1 CCNC1=NC=C(C=C1)I Z2233927789 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.1 CCOC1=CC=C(C=C1)C Z53834228 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.1 CCOC1=CC=C(C=C1)N Z57127438 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.1 CCOC1=CC=C(C=C1)S Z166646982 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.1 CCOC1=NC=C(C=C1)N Z240084310 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.1 CCSC1=NC=C(C=C1)Br Z742922262 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.1 CCSC1=NC=C(C=C1)N Z332377604 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.1 CNCC1=CC=C(C=C1)Br Z56175269 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.1 CNCC1=CC=C(C=C1)C Z56944115 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.1 CNCC1=CC=C(C=C1)Cl Z56956070 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.1 CNCC1=CC=C(C=C1)F Z56963340 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.1 CNCC1=CC=C(C=C1)I Z4242747560 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.1 CNCC1=CN=C(C=C1)Cl Z265498862 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.1 CNCC1=CN=C(C=C1)F Z1745074466 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.1 CNCC1=CN=C(C=C1)N Z1255388567 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.1 CNCC1=NC=C(C=C1)Br Z5436471179 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.1 CNCC1=NC=C(C=C1)C Z1255425232 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.1 COCC1=CC=C(C=C1)N Z240084568 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.1 CSCC1=CC=C(C=C1)Br Z19854469 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.1 CSCC1=CC=C(C=C1)N Z732207336 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.1 CSCC1=CN=C(C=C1)Cl Z732206922 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.1 N#CCC1=CC=C(C=C1)F Z89283961 [1,1,0,0,0,0|0,0,2]=4 503 B10R1.1 N#CCC1=CC=C(C=C1)N Z90122117 [1,1,0,0,0,0|0,0,2]=4 504 B10R1.1 N#CCC1=CC=C(C=C1)O Z90120144 [1,1,0,0,0,0|0,0,2]=4 505 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.1 NC1=CN=C(C=C1)CCO Z1898597735 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.1 NCCC1=CC=C(C=C1)Br Z285143750 [1,1,0,0,0,0|0,0,0]=2 508 B10R1.1 NCCC1=CC=C(C=C1)Cl Z57051065 [1,1,0,0,0,0|0,0,0]=2 509 B10R1.1 NCCC1=CC=C(C=C1)F Z90122126 [1,1,0,0,0,0|0,0,0]=2 510 B10R1.1 NCCC1=CC=C(C=C1)I Z2515133713 [1,1,0,0,0,0|0,0,0]=2 511 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [1,1,0,0,0,0|0,0,0]=2 512 B10R1.1 NCCC1=CN=C(C=C1)Cl Z1198178633 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.1 NCCC1=CN=C(N=C1)O Z2725055726 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.1 NCCC1=NC=C(C=C1)F Z2238508662 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.1 NCCC1=NC=C(C=C1)O Z2350909287 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.1 NCCC1=NC=C(C=N1)Br Z4752114140 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.1 NOCC1=CC=C(C=C1)Cl Z1198164677 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.1 O=CCC1=CC=C(C=C1)Br Z1079442512 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.1 O=CCC1=CC=C(C=C1)Cl Z993017718 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.1 O=CCC1=CC=C(C=C1)F Z993017752 [1,1,0,0,0,0|1,0,1]=4 521 B10R1.1 OCCC1=CC=C(C=C1)Br Z397587340 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.1 OCCC1=CC=C(C=C1)F Z397587326 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.4 C=CCC1=C(C=CC=C1)O Z104493210 [1,1,0,0,0,0|0,0,2]=4 525 B10R1.4 CC1=C(C=CC=C1)CC#N Z57039593 [1,1,0,0,0,0|0,0,2]=4 526 B10R1.4 CC1=C(C=CC=C1)CC=O Z993017618 [1,1,0,0,0,0|1,0,1]=4 527 B10R1.4 CC1=C(C=CC=C1)CNN Z336481586 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.4 CC1=C(C=NC=C1)CCN Z1198264124 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.4 CC1=C(N=CC=C1)CCN Z1098234132 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.4 CC1=C(N=CC=C1)CCO Z1198169041 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.4 CCCC1=C(C=CC=C1)Br Z1479686725 [1,1,0,0,0,0|0,0,0]=2 532 B10R1.4 CCCC1=C(C=CC=C1)I Z821158622 [1,1,0,0,0,0|0,0,0]=2 533 B10R1.4 CCCC1=C(C=CC=C1)N Z336087926 [1,1,0,0,0,0|0,0,0]=2 534 B10R1.4 CCCC1=C(N=CC=N1)Cl Z1504680268 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.4 CCNC1=C(C=CC=C1)C Z104477886 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.4 CCNC1=C(C=CC=C1)F Z286518592 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.4 CCNC1=C(C=CC=C1)I Z4405452872 [1,1,0,0,0,0|1,0,0]=3 538 B10R1.4 CCNC1=C(C=CC=C1)N Z359511482 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.4 CCNC1=C(C=CC=C1)O Z5185414820 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.4 CCNC1=C(C=CC=N1)C Z968907586 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.4 CCNC1=C(C=CC=N1)N Z803145254 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.4 CCNC1=C(C=CN=C1)C Z1946684572 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.4 CCNC1=C(C=NC=C1)N Z359511456 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.4 CCOC1=C(C=CC=C1)Br Z153728256 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.4 CCOC1=C(C=CC=C1)I Z406416174 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.4 CCOC1=C(C=CC=C1)N Z104478442 [1,1,0,0,0,0|1,0,0]=3 547 B10R1.4 CCOC1=C(C=CC=C1)O Z104480244 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.4 CCOC1=C(C=CC=N1)N Z240084312 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.4 CCOC1=C(N=CC=C1)N Z362783900 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.4 CCSC1=C(C=CC=C1)Br Z149386616 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.4 CCSC1=C(C=CC=C1)N Z316174690 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.4 CCSC1=C(C=CC=C1)O Z905204460 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.4 CCSC1=CC=CNC1=O Z1509297963 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.4 CCSC1=[N+](C=CC=C1)[O-] Z18546433 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.4 CNCC1=C(C=CC=C1)C Z56948272 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.4 CNCC1=C(C=CC=C1)Cl Z56955956 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.4 CNCC1=C(C=CC=C1)F Z56953087 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.4 CNCC1=C(C=CC=C1)N Z764242576 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.4 CNCC1=C(C=CC=C1)O Z398513608 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.4 CNCC1=C(C=CC=N1)Cl Z5392638231 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.4 CNCC1=C(C=NC=C1)F Z4545616296 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.4 COCC1=C(C=CC=C1)I Z821093342 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.4 COCC1=C(C=CC=C1)O Z821093528 [1,1,0,0,0,0|1,0,0]=3 564 B10R1.4 COCC1=C(N=CC=C1)N Z991490684 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.4 CSCC1=C(C=CC=C1)N Z732207148 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.4 N#CCC1=C(C=CC=C1)Cl Z56904744 [1,1,0,0,0,0|0,0,2]=4 567 B10R1.4 N#CCC1=C(C=CC=C1)F Z104477228 [1,1,0,0,0,0|0,0,2]=4 568 B10R1.4 NC1=C(C=CC=C1)CCO Z3417485770 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.4 NCCC1=C(C=CC=C1)Br Z295382782 [1,1,0,0,0,0|0,0,0]=2 570 B10R1.4 NCCC1=C(C=CC=C1)Cl Z285143744 [1,1,0,0,0,0|0,0,0]=2 571 B10R1.4 NCCC1=C(C=CC=C1)F Z57051087 [1,1,0,0,0,0|0,0,0]=2 572 B10R1.4 NCCC1=C(C=CC=C1)O Z594038184 [1,1,0,0,0,0|0,0,0]=2 573 B10R1.4 NCCC1=C(N=CC=C1)O Z5862214540 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.4 NCCN1C=CC=CC1=O Z1891776659 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.4 NCCN1C=CC=NC1=O Z3038857671 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.4 NCCN1C=NC=CC1=O Z2379084242 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.4 NCCN1N=CC=CC1=O Z1021422614 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.4 O=C1C=CC=CN1CCO Z234898059 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.4 O=CCC1=C(C=CC=C1)Br Z1183459130 [1,1,0,0,0,0|1,0,1]=4 580 B10R1.4 O=CCC1=C(C=CC=C1)F Z993017796 [1,1,0,0,0,0|1,0,1]=4 581 B10R1.4 OCCC1=C(C=CC=C1)Br Z1183459188 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.4 OCCC1=C(C=CC=C1)F Z397587382 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.10 CC1=CC(=CC=C1)CC#N Z285131450 [1,1,0,0,0,0|0,0,2]=4 584 B10R1.10 CC1=CC(=CC=C1)CCN Z241056516 [1,1,0,0,0,0|0,0,0]=2 585 B10R1.10 CC1=NC(=CC=C1)CCN Z1098234194 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.10 CCCC1=CC(=CC=C1)Br Z1541586975 [1,1,0,0,0,0|0,0,0]=2 587 B10R1.10 CCCC1=CC(=NN=C1)Cl Z4580564381 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.10 CCCC1=CC(=NN=C1)N Z4580562529 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.10 CCCC1=CC(=O)NN=C1 Z1198341234 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.10 CCCC1=NC(=CC=N1)N Z856211250 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.10 CCNC1=CC(=CC=C1)Br Z1217910559 [1,1,0,0,0,0|1,0,0]=3 592 B10R1.10 CCNC1=CC(=CC=C1)C Z56785946 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.10 CCNC1=CC(=CC=C1)Cl Z286371690 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.10 CCNC1=CC(=NC=C1)Cl Z979422192 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.10 CCOC1=CC(=CC=C1)Br Z53833934 [1,1,0,0,0,0|1,0,0]=3 596 B10R1.10 CCOC1=CC(=CC=C1)I Z54181578 [1,1,0,0,0,0|1,0,0]=3 597 B10R1.10 CCOC1=CC(=NC=C1)N Z1198157310 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.10 CCOC1=NC(=CC=C1)C Z1198168604 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.10 CCOC1=NC(=CC=C1)N Z1139188017 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.10 CCSC1=CC(=CC=C1)Br Z1090207966 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.10 CCSC1=CC(=CC=C1)N Z600393424 [1,1,0,0,0,0|1,0,0]=3 602 B10R1.10 CCSC1=CC(=NC=C1)Cl Z1157653444 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.10 CCSC1=CC=CC(=O)N1 Z3004833863 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.10 CNCC1=CC(=CC=C1)C Z102766992 [1,1,0,0,0,0|1,0,0]=3 605 B10R1.10 CNCC1=CC(=CC=C1)Cl Z56963343 [1,1,0,0,0,0|1,0,0]=3 606 B10R1.10 CNCC1=CC(=CC=C1)F Z56946085 [1,1,0,0,0,0|1,0,0]=3 607 B10R1.10 CNCC1=CC(=CC=C1)I Z3302798080 [1,1,0,0,0,0|1,0,0]=3 608 B10R1.10 CNCC1=CC(=CC=C1)O Z102766970 [1,1,0,0,0,0|1,0,0]=3 609 B10R1.10 CNCC1=CC(=CN=C1)Br Z5095377359 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.10 CNCC1=CC=CC(=O)N1 Z2895739022 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.10 CNCC1=NC(=CC=C1)C Z1255523287 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.10 CNCC1=NC=CC(=C1)C Z5443664854 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.10 CNCC1=NC=CC(=C1)Cl Z3214695745 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.10 COCC1=CC(=CC=C1)N Z285163816 [1,1,0,0,0,0|1,0,0]=3 615 B10R1.10 COCC1=CC(=CC=C1)O Z821093526 [1,1,0,0,0,0|1,0,0]=3 616 B10R1.10 COCC1=CC(=NC=C1)N Z991490692 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.10 CSCC1=CC(=CC=C1)Br Z17129082 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.10 CSCC1=CC(=CC=C1)N Z732207152 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.10 CSCC1=CC(=NC=C1)N Z991494168 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.10 N#CCC1=CC=CC(=C1)Cl Z57039594 [1,1,0,0,0,0|0,0,2]=4 621 B10R1.10 N#CCC1=CC=CC(=C1)F Z104477994 [1,1,0,0,0,0|0,0,2]=4 622 B10R1.10 N#CCC1=CC=CC(=C1)N Z90120426 [1,1,0,0,0,0|0,0,2]=4 623 B10R1.10 N#CCC1=CC=CC(=C1)O Z1198161712 [1,1,0,0,0,0|0,0,2]=4 624 B10R1.10 NC1=CC(=CC=C1)CCO Z1198160776 [1,1,0,0,0,0|1,0,0]=3 625 B10R1.10 NC1=NC=CC(=C1)CCO Z1197888440 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.10 NCCC1=CC(=CC=C1)Br Z285143760 [1,1,0,0,0,0|0,0,0]=2 627 B10R1.10 NCCC1=CC(=CC=C1)Cl Z57051063 [1,1,0,0,0,0|0,0,0]=2 628 B10R1.10 NCCC1=CC(=CC=C1)F Z96092963 [1,1,0,0,0,0|0,0,0]=2 629 B10R1.10 NCCC1=CC(=CC=C1)I Z4874662549 [1,1,0,0,0,0|0,0,0]=2 630 B10R1.10 NCCC1=CC(=CC=C1)O Z935140764 [1,1,0,0,0,0|0,0,0]=2 631 B10R1.10 NCCC1=CC(=CN=C1)O Z1504671788 [1,1,0,0,0,0|1,0,0]=3 632 B10R1.10 NCCC1=CC(=NC=C1)N Z2310698980 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.10 NCCC1=NC(=NC=C1)N Z5619121124 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.10 NCCC1=NC=NC(=C1)Br Z4513781102 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.10 NCCC1=NC=NC(=C1)O Z2310716008 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.10 NOCC1=CC(=CC=C1)Cl Z1198339567 [1,1,0,0,0,0|1,0,0]=3 637 B10R1.10 O=CCC1=CC=CC(=C1)Br Z1079442816 [1,1,0,0,0,0|1,0,1]=4 638 B10R1.10 O=CCC1=CC=CC(=C1)Cl Z993017836 [1,1,0,0,0,0|1,0,1]=4 639 B10R1.10 OCCC1=CC(=CC=C1)Cl Z992289382 [1,1,0,0,0,0|1,0,0]=3 640 B10R1.10 OCCC1=CC(=CC=C1)F Z397587224 [1,1,0,0,0,0|1,0,0]=3 641 B10R1.15 C=C(CN)C1=CC=CC=C1 Z2065464323 [1,1,0,0,0,0|0,0,1]=3 642 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [1,1,0,0,0,0|0,0,2]=4 643 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [1,1,0,0,0,0|1,0,1]=4 644 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [1,1,0,0,0,0|1,0,0]=3 645 B10R1.15 CC(CN)C1=CC=NC=C1 Z415654978 [1,1,0,0,0,0|1,0,0]=3 646 B10R1.15 CCC(=O)C1=CC=CC=C1 Z104473068 [1,1,0,0,0,0|0,0,1]=3 647 B10R1.15 CCC(=O)C1=CC=NC=C1 Z513733916 [1,1,0,0,0,0|1,0,1]=4 648 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [1,1,0,0,0,0|0,0,0]=2 649 B10R1.15 CCC(N)C1=CC=NC=C1 Z228583312 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [1,1,0,0,0,0|0,0,0]=2 651 B10R1.15 CCC(O)C1=CC=NC=C1 Z513749638 [1,1,0,0,0,0|1,0,0]=3 652 B10R1.15 CNC(=N)C1=CC=CC=C1 Z2096088186 [1,1,0,0,0,0|1,0,1]=4 653 B10R1.15 CNC(=O)C1=CC=CC=C1 Z32016410 [1,1,0,0,0,0|1,0,1]=4 654 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [1,1,0,0,0,0|1,0,0]=3 655 B10R1.15 CNC(C)C1=CN=CC=C1 Z451350188 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.15 CNC(C)C1=NC=CC=C1 Z451350194 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.15 COC(=O)C1=CC=CC=C1 Z19825577 [1,1,0,0,0,0|1,0,1]=4 658 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [1,1,0,0,0,0|0,0,0]=2 659 B10R1.15 N#CC(Br)C1=CC=CC=C1 Z1198157485 [1,1,0,0,0,0|0,0,2]=4 660 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [1,1,0,0,0,0|1,0,0]=3 661 B10R1.15 NC(CO)C1=CN=CC=C1 Z2350903961 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.15 NCC(=O)C1=CC=CC=C1 Z600428568 [1,1,0,0,0,0|0,0,1]=3 663 B10R1.15 NCC(=O)C1=CC=NC=C1 Z2677521709 [1,1,0,0,0,0|1,0,1]=4 664 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [1,1,0,0,0,0|0,0,0]=2 665 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [1,1,0,0,0,0|0,0,0]=2 666 B10R1.15 NCC(O)C1=CN=CC=C1 Z336086578 [1,1,0,0,0,0|1,0,0]=3 667 B10R1.15 NCC(O)C1=NC=CC=C1 Z802671456 [1,1,0,0,0,0|1,0,0]=3 668 B10R1.15 NNC(=O)C1=CC=CC=C1 Z56926669 [1,1,0,0,0,0|1,0,1]=4 669 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [1,1,0,0,0,0|1,0,0]=3 670 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [1,1,0,0,0,0|1,0,0]=3 671 B10R1.15 O=C(CCl)C1=CC=CC=C1 Z57834468 [1,1,0,0,0,0|1,0,1]=4 672 B10R1.15 O=C(CO)C1=CC=CC=C1 Z906206792 [1,1,0,0,0,0|1,0,1]=4 673 B10R1.15 OCC(O)C1=CC=NC=C1 Z2736474279 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.15 OCC(O)C1=NC=CC=C1 Z4985119178 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.17 BrCCOC1=CC=CC=C1 Z56950513 [1,1,0,0,0,0|1,0,0]=3 676 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [1,1,0,0,0,0|0,0,0]=2 677 B10R1.17 CCCNC1=CN=CC=C1 Z334882412 [1,1,0,0,0,0|1,0,0]=3 678 B10R1.17 CCCOC1=NC=CN=C1 Z2182020100 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.17 CCCSC1=NC=CC=N1 Z18380759 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [1,1,0,0,0,0|0,0,0]=2 681 B10R1.17 CCNCC1=CC=NC=C1 Z57327181 [1,1,0,0,0,0|1,0,0]=3 682 B10R1.17 CCNCC1=NC=CC=C1 Z90513146 [1,1,0,0,0,0|1,0,0]=3 683 B10R1.17 CCSCC1=NC=CC=C1 Z1607601848 [1,1,0,0,0,0|1,0,0]=3 684 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [1,1,0,0,0,0|0,0,0]=2 685 B10R1.17 CNCCC1=CC=NC=C1 Z235580560 [1,1,0,0,0,0|1,0,0]=3 686 B10R1.17 CNCCC1=CN=CC=C1 Z2418466818 [1,1,0,0,0,0|1,0,0]=3 687 B10R1.17 CNCCC1=NC=CC=C1 Z2238930991 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.17 CNCCC1=NC=CC=N1 Z3023337072 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [1,1,0,0,0,0|0,0,0]=2 690 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [1,1,0,0,0,0|0,0,1]=3 691 B10R1.17 N#CCNC1=CC=CC=C1 Z56347332 [1,1,0,0,0,0|0,0,2]=4 692 B10R1.17 N#CCOC1=CC=CC=C1 Z53792061 [1,1,0,0,0,0|0,0,2]=4 693 B10R1.17 N#CCSC1=CC=CC=C1 Z19751391 [1,1,0,0,0,0|0,0,2]=4 694 B10R1.17 NC/C=C/C1=CC=CC=C1 Z2953771905 [1,1,0,0,0,0|0,0,1]=3 695 B10R1.17 NC/C=C/C1=CN=CC=C1 Z2216303151 [1,1,0,0,0,0|1,0,1]=4 696 B10R1.17 NCC#CC1=CC=CC=C1 Z227964210 [1,1,0,0,0,0|0,0,1]=3 697 B10R1.17 NCC#CC1=NC=CC=C1 Z1456201642 [1,1,0,0,0,0|1,0,1]=4 698 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [1,1,0,0,0,0|0,0,0]=2 699 B10R1.17 NCCCC1=CN=CC=C1 Z3058301115 [1,1,0,0,0,0|1,0,0]=3 700 B10R1.17 NCCCC1=CN=NC=C1 Z3270187722 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.17 NCCCC1=NC=CC=C1 Z600381818 [1,1,0,0,0,0|1,0,0]=3 702 B10R1.17 NCCCC1=NC=CN=C1 Z1474025943 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.17 NCCNC1=CC=NC=C1 Z317257862 [1,1,0,0,0,0|1,0,0]=3 704 B10R1.17 NCCNC1=NC=CC=C1 Z85923460 [1,1,0,0,0,0|1,0,0]=3 705 B10R1.17 NCCNC1=NC=CC=N1 Z381428982 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.17 NCCNC1=NN=CC=C1 Z991530796 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.17 NCCOC1=CC=CC=C1 Z355423232 [1,1,0,0,0,0|0,0,0]=2 708 B10R1.17 NCCOC1=CC=NC=C1 Z3243651499 [1,1,0,0,0,0|1,0,0]=3 709 B10R1.17 NCCOC1=CN=CC=C1 Z429662874 [1,1,0,0,0,0|1,0,0]=3 710 B10R1.17 NCCOC1=NC=CC=N1 Z4381809298 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.17 NCCSC1=CC=CC=C1 Z57970213 [1,1,0,0,0,0|0,0,0]=2 712 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [1,1,0,0,0,0|0,0,0]=2 713 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [1,1,0,0,0,0|0,0,1]=3 714 B10R1.17 O=CCCC1=CC=NC=C1 Z1070006438 [1,1,0,0,0,0|1,0,1]=4 715 B10R1.17 O=CCCC1=CN=CC=C1 Z1198276578 [1,1,0,0,0,0|1,0,1]=4 716 B10R1.17 O=CCCC1=NC=CC=C1 Z1079158816 [1,1,0,0,0,0|1,0,1]=4 717 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [1,1,0,0,0,0|1,0,1]=4 718 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [1,1,0,0,0,0|1,0,1]=4 719 B10R1.17 OC/C=C/C1=CC=CC=C1 Z104473562 [1,1,0,0,0,0|0,0,2]=4 720 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [1,1,0,0,0,0|0,0,0]=2 721 B10R1.17 OCCCC1=CC=NC=C1 Z104475752 [1,1,0,0,0,0|1,0,0]=3 722 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [1,1,0,0,0,0|1,0,0]=3 723 B10R1.17 OCCCC1=NC=NC=C1 Z2044799287 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.17 OCCNC1=CC=NC=C1 Z359301874 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.17 OCCNC1=NC=CC=C1 Z31212159 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [1,1,0,0,0,0|1,0,0]=3 727 B10R1.17 OCCOC1=CN=CC=C1 Z1180078238 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.17 OCCSC1=CC=CC=C1 Z149157348 [1,1,0,0,0,0|1,0,0]=3 729 B10R1.17 S=C=NCC1=CC=CC=C1 Z56869309 [1,1,0,0,0,0|1,0,1]=4 730 B10R1.13 CC(=O)C1=CC=C(C=C1)Br Z57127459 [0,1,0,0,1,0|1,0,1]=4 731 B10R1.13 CC(=O)C1=CC=C(C=C1)C Z57127458 [0,1,0,0,1,0|1,0,1]=4 732 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl Z57127462 [0,1,0,0,1,0|1,0,1]=4 733 B10R1.13 CC(=O)C1=CC=C(C=C1)F Z57127466 [0,1,0,0,1,0|1,0,1]=4 734 B10R1.13 CC(=O)C1=CC=C(C=C1)I Z57073725 [0,1,0,0,1,0|1,0,1]=4 735 B10R1.13 CC(=O)C1=CC=C(C=C1)N Z57127377 [0,1,0,0,1,0|1,0,1]=4 736 B10R1.13 CC(=O)C1=CC=C(C=C1)O Z57040434 [0,1,0,0,1,0|1,0,1]=4 737 B10R1.13 CC(C)C1=CC=C(C=C1)Br Z732229746 [0,1,0,0,1,0|1,0,0]=3 738 B10R1.13 CC(C)C1=CC=C(C=C1)Cl Z1255372793 [0,1,0,0,1,0|1,0,0]=3 739 B10R1.13 CC(C)C1=CC=C(C=C1)N Z104476320 [0,1,0,0,1,0|1,0,0]=3 740 B10R1.13 CC(C)C1=CC=C(C=C1)O Z56347200 [0,1,0,0,1,0|1,0,0]=3 741 B10R1.13 CC(N)C1=CC=C(C=C1)Br Z56347162 [0,1,0,0,1,0|0,0,0]=2 742 B10R1.13 CC(N)C1=CC=C(C=C1)Cl Z56347112 [0,1,0,0,1,0|0,0,0]=2 743 B10R1.13 CC(N)C1=CC=C(C=C1)O Z1741968989 [0,1,0,0,1,0|0,0,0]=2 744 B10R1.13 CC(N)C1=CN=C(C=C1)O Z4423361180 [0,1,0,0,1,0|1,0,0]=3 745 B10R1.13 CC(N)C1=NC=C(C=N1)Br Z3297614825 [0,1,0,0,1,0|2,0,0]=4 746 B10R1.13 CC(N)C1=NC=C(N=C1)Cl Z4188952637 [0,1,0,0,1,0|2,0,0]=4 747 B10R1.13 CC(O)C1=CC=C(C=C1)Br Z335244904 [0,1,0,0,1,0|1,0,0]=3 748 B10R1.13 CC(O)C1=CC=C(C=C1)Cl Z104479788 [0,1,0,0,1,0|1,0,0]=3 749 B10R1.13 CC(O)C1=CC=C(C=C1)F Z56347219 [0,1,0,0,1,0|1,0,0]=3 750 B10R1.13 CC(O)C1=CC=C(C=C1)I Z228586282 [0,1,0,0,1,0|1,0,0]=3 751 B10R1.13 CC(O)C1=NC=C(C=C1)F Z1255406174 [0,1,0,0,1,0|2,0,0]=4 752 B10R1.13 CC1=CC=C(C=C1)C(=N)N Z1405445841 [0,1,0,0,1,0|1,0,1]=4 753 B10R1.13 CC1=CC=C(C=C1)C(=S)N Z56939152 [0,1,0,0,1,0|1,0,1]=4 754 B10R1.13 CC1=CC=C(C=C1)C(C)C Z104497772 [0,1,0,0,1,0|1,0,0]=3 755 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O Z1127664396 [0,1,0,0,1,0|1,0,0]=3 756 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O Z1127664278 [0,1,0,0,1,0|1,0,0]=3 757 B10R1.13 CN(C)C1=CC=C(C=C1)O Z137981254 [0,1,0,0,1,0|2,0,0]=4 758 B10R1.13 CS(=O)C1=CC=C(C=C1)N Z609944508 [0,1,0,0,1,0|2,0,0]=4 759 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)Br Z850973968 [0,1,0,0,1,0|1,0,0]=3 760 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)I Z360055808 [0,1,0,0,1,0|1,0,0]=3 761 B10R1.13 C[C@H](N)C1=CC=C(C=C1)Br Z1869802525 [0,1,0,0,1,0|0,0,0]=2 762 B10R1.13 C[C@H](N)C1=CC=C(C=C1)I Z1696091699 [0,1,0,0,1,0|0,0,0]=2 763 B10R1.13 C[C@H](N)C1=CC=C(C=C1)O Z3183546879 [0,1,0,0,1,0|0,0,0]=2 764 B10R1.13 C[C@H](N)C1=NC=C(C=C1)Cl Z1753033020 [0,1,0,0,1,0|1,0,0]=3 765 B10R1.13 C[C@H](O)C1=CC=C(C=C1)Br Z850973970 [0,1,0,0,1,0|1,0,0]=3 766 B10R1.13 C[C@H](O)C1=CC=C(C=C1)I Z360055806 [0,1,0,0,1,0|1,0,0]=3 767 B10R1.13 N=C(N)C1=CC=C(C=C1)Br Z1263602346 [0,1,0,0,1,0|1,0,1]=4 768 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl Z56771179 [0,1,0,0,1,0|1,0,1]=4 769 B10R1.13 N=C(N)C1=CC=C(C=C1)F Z2289798423 [0,1,0,0,1,0|1,0,1]=4 770 B10R1.13 N=C(N)C1=CC=C(C=C1)I Z2574914411 [0,1,0,0,1,0|1,0,1]=4 771 B10R1.13 N=C(N)C1=CC=C(C=C1)O Z1262398570 [0,1,0,0,1,0|1,0,1]=4 772 B10R1.13 NC(=O)C1=CC=C(C=C1)Br Z33546526 [0,1,0,0,1,0|1,0,1]=4 773 B10R1.13 NC(=O)C1=CC=C(C=C1)F Z33546459 [0,1,0,0,1,0|1,0,1]=4 774 B10R1.13 NC(=O)C1=CC=C(C=C1)I Z33546486 [0,1,0,0,1,0|1,0,1]=4 775 B10R1.13 NC(=O)C1=CC=C(C=C1)N Z104474782 [0,1,0,0,1,0|1,0,1]=4 776 B10R1.13 NC(=O)C1=CC=C(C=C1)O Z104502228 [0,1,0,0,1,0|1,0,1]=4 777 B10R1.13 NC(=S)C1=CC=C(C=C1)Br Z56964597 [0,1,0,0,1,0|1,0,1]=4 778 B10R1.13 NC(=S)C1=CC=C(C=C1)Cl Z57070431 [0,1,0,0,1,0|1,0,1]=4 779 B10R1.13 NC(=S)C1=CC=C(C=C1)N Z234895465 [0,1,0,0,1,0|1,0,1]=4 780 B10R1.13 NC(=S)C1=CC=C(C=C1)O Z90124534 [0,1,0,0,1,0|1,0,1]=4 781 B10R1.13 NC1=CC=C(C=C1)C(F)F Z2900188029 [0,1,0,0,1,0|2,0,0]=4 782 B10R1.28 CC(C)(Br)C1=CC=CC=C1 Z2520694454 [0,1,0,0,1,0|1,0,0]=3 783 B10R1.28 CC(C)(C)C1=CC=CC=C1 Z104478422 [0,1,0,0,1,0|1,0,0]=3 784 B10R1.28 CC(C)(N)C1=CC=CC=C1 Z336079658 [0,1,0,0,1,0|0,0,0]=2 785 B10R1.28 CC(C)(N)C1=NC=CC=N1 Z2235409543 [0,1,0,0,1,0|2,0,0]=4 786 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 Z431522400 [0,1,0,0,1,0|2,0,0]=4 787 B10R1.28 FC(F)(F)C1=CC=CC=C1 Z104473746 [0,1,0,0,1,0|2,0,0]=4 788 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 Z45415554 [0,1,0,0,1,0|2,0,0]=4 789 B10R1.61 C=C(C)C1=C(C=CC=C1)Br Z1238836250 [0,1,0,0,1,0|1,0,1]=4 790 B10R1.61 CC(=O)C1=C(C=CC=C1)Br Z219997444 [0,1,0,0,1,0|1,0,1]=4 791 B10R1.61 CC(=O)C1=C(C=CC=C1)Cl Z104473116 [0,1,0,0,1,0|1,0,1]=4 792 B10R1.61 CC(=O)C1=C(C=CC=C1)F Z104475574 [0,1,0,0,1,0|1,0,1]=4 793 B10R1.61 CC(=O)C1=C(C=CC=C1)I Z1080378952 [0,1,0,0,1,0|1,0,1]=4 794 B10R1.61 CC(=O)C1=C(C=CC=C1)O Z57101014 [0,1,0,0,1,0|1,0,1]=4 795 B10R1.61 CC(C)C1=C(C=CC=C1)Br Z1201618204 [0,1,0,0,1,0|1,0,0]=3 796 B10R1.61 CC(C)C1=C(C=CC=C1)N Z104475672 [0,1,0,0,1,0|1,0,0]=3 797 B10R1.61 CC(C)C1=C(C=CC=C1)O Z104485440 [0,1,0,0,1,0|1,0,0]=3 798 B10R1.61 CC(C)C1=C(C=CC=N1)N Z1416177001 [0,1,0,0,1,0|2,0,0]=4 799 B10R1.61 CC(C)C1=C(C=CN=C1)N Z1192004736 [0,1,0,0,1,0|2,0,0]=4 800 B10R1.61 CC(C)C1=C(C=CN=C1)O Z1255421924 [0,1,0,0,1,0|2,0,0]=4 801 B10R1.61 CC(C)C1=C(N=CC=C1)N Z1192017957 [0,1,0,0,1,0|2,0,0]=4 802 B10R1.61 CC(N)C1=C(C=CC=C1)F Z56347426 [0,1,0,0,1,0|0,0,0]=2 803 B10R1.61 CC(N)C1=C(C=CC=C1)O Z234895795 [0,1,0,0,1,0|0,0,0]=2 804 B10R1.61 CC(N)C1=C(C=CC=N1)Br Z3925841137 [0,1,0,0,1,0|1,0,0]=3 805 B10R1.61 CC(N)C1=C(C=CC=N1)F Z2284396256 [0,1,0,0,1,0|1,0,0]=3 806 B10R1.61 CC(N)C1=C(C=CN=C1)O Z4515690259 [0,1,0,0,1,0|1,0,0]=3 807 B10R1.61 CC(O)C1=C(C=CC=C1)Cl Z335244972 [0,1,0,0,1,0|1,0,0]=3 808 B10R1.61 CC(O)C1=C(C=CC=C1)N Z734526976 [0,1,0,0,1,0|1,0,0]=3 809 B10R1.61 CC1=C(C=CC=C1)C(=N)N Z1483957011 [0,1,0,0,1,0|1,0,1]=4 810 B10R1.61 CC1=C(C=CC=C1)C(=S)N Z57046956 [0,1,0,0,1,0|1,0,1]=4 811 B10R1.61 CC1=C(C=CC=C1)C(C)O Z335245068 [0,1,0,0,1,0|1,0,0]=3 812 B10R1.61 CC1=C(C=CC=C1)[C@@H](C)O Z360055768 [0,1,0,0,1,0|1,0,0]=3 813 B10R1.61 CC1=C(C=CC=N1)C(C)N Z4511547602 [0,1,0,0,1,0|1,0,0]=3 814 B10R1.61 CC1=C(C=CC=N1)C(C)O Z1766930129 [0,1,0,0,1,0|2,0,0]=4 815 B10R1.61 CC1=C(C=CN=C1)C(C)N Z4959064345 [0,1,0,0,1,0|1,0,0]=3 816 B10R1.61 CN(C)C1=C(C=CC=C1)I Z840599616 [0,1,0,0,1,0|2,0,0]=4 817 B10R1.61 CN(C)C1=C(C=CC=C1)N Z234893807 [0,1,0,0,1,0|2,0,0]=4 818 B10R1.61 CN(C)C1=C(C=CC=C1)O Z2681253687 [0,1,0,0,1,0|2,0,0]=4 819 B10R1.61 CS(=O)C1=C(C=CC=C1)N Z609980396 [0,1,0,0,1,0|2,0,0]=4 820 B10R1.61 C[C@@H](N)C1=C(C=CC=C1)Br Z1696289917 [0,1,0,0,1,0|0,0,0]=2 821 B10R1.61 C[C@@H](N)C1=C(C=CC=C1)Cl Z360055184 [0,1,0,0,1,0|0,0,0]=2 822 B10R1.61 C[C@@H](O)C1=C(C=CC=C1)Br Z1127664407 [0,1,0,0,1,0|1,0,0]=3 823 B10R1.61 C[C@@H](O)C1=C(C=CC=C1)Cl Z360055178 [0,1,0,0,1,0|1,0,0]=3 824 B10R1.61 C[C@H](N)C1=C(C=CC=C1)Br Z1696289881 [0,1,0,0,1,0|0,0,0]=2 825 B10R1.61 C[C@H](N)C1=C(C=CC=N1)F Z1924739255 [0,1,0,0,1,0|1,0,0]=3 826 B10R1.61 C[C@H](O)C1=C(C=CC=C1)Br Z1127664292 [0,1,0,0,1,0|1,0,0]=3 827 B10R1.61 C[C@H](O)C1=C(C=CC=C1)Cl Z360055172 [0,1,0,0,1,0|1,0,0]=3 828 B10R1.61 N=C(N)C1=C(C=CC=C1)Br Z1266823189 [0,1,0,0,1,0|1,0,1]=4 829 B10R1.61 N=C(N)C1=C(C=CC=C1)Cl Z1695669929 [0,1,0,0,1,0|1,0,1]=4 830 B10R1.61 N=C(N)C1=C(C=CC=C1)F Z2442104317 [0,1,0,0,1,0|1,0,1]=4 831 B10R1.61 N=C(N)C1=C(C=CC=C1)N Z199055442 [0,1,0,0,1,0|1,0,1]=4 832 B10R1.61 N=C(N)C1=C(C=CC=C1)O Z1431002716 [0,1,0,0,1,0|1,0,1]=4 833 B10R1.61 NC(=O)C1=C(C=CC=C1)Cl Z33546379 [0,1,0,0,1,0|1,0,1]=4 834 B10R1.61 NC(=O)C1=C(C=CC=C1)F Z33546498 [0,1,0,0,1,0|1,0,1]=4 835 B10R1.61 NC(=O)C1=C(C=CC=C1)I Z33546623 [0,1,0,0,1,0|1,0,1]=4 836 B10R1.61 NC(=O)C1=C(C=CC=C1)N Z57036632 [0,1,0,0,1,0|1,0,1]=4 837 B10R1.61 NC(=O)C1=C(C=CC=C1)O Z68590124 [0,1,0,0,1,0|1,0,1]=4 838 B10R1.61 NC(=S)C1=C(C=CC=C1)N Z99601360 [0,1,0,0,1,0|1,0,1]=4 839 B10R1.113 C=C(C)C1=CC(=CC=C1)N Z1203585283 [0,1,0,0,1,0|1,0,1]=4 840 B10R1.113 CC(=O)C1=CC(=CC=C1)Br Z104472956 [0,1,0,0,1,0|1,0,1]=4 841 B10R1.113 CC(=O)C1=CC(=CC=C1)C Z104482920 [0,1,0,0,1,0|1,0,1]=4 842 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl Z104477350 [0,1,0,0,1,0|1,0,1]=4 843 B10R1.113 CC(=O)C1=CC(=CC=C1)N Z57127443 [0,1,0,0,1,0|1,0,1]=4 844 B10R1.113 CC(C)C1=CC(=CC=C1)O Z104492878 [0,1,0,0,1,0|1,0,0]=3 845 B10R1.113 CC(C)C1=CC(=NC=C1)N Z1203581683 [0,1,0,0,1,0|2,0,0]=4 846 B10R1.113 CC(C)C1=NC=CC(=C1)N Z4438672474 [0,1,0,0,1,0|2,0,0]=4 847 B10R1.113 CC(C)C1=NC=CC(=C1)O Z1255384308 [0,1,0,0,1,0|2,0,0]=4 848 B10R1.113 CC(N)C1=CC(=CC=C1)Br Z239626864 [0,1,0,0,1,0|0,0,0]=2 849 B10R1.113 CC(N)C1=CC(=CC=C1)Cl Z56347061 [0,1,0,0,1,0|0,0,0]=2 850 B10R1.113 CC(N)C1=CC(=CC=C1)F Z56347483 [0,1,0,0,1,0|0,0,0]=2 851 B10R1.113 CC(N)C1=CC(=CC=C1)O Z426041632 [0,1,0,0,1,0|0,0,0]=2 852 B10R1.113 CC(N)C1=NC(=CC=N1)N Z2235681416 [0,1,0,0,1,0|2,0,0]=4 853 B10R1.113 CC(N)C1=NC=CC(=C1)Br Z4573023597 [0,1,0,0,1,0|1,0,0]=3 854 B10R1.113 CC(N)C1=NC=CC(=O)N1 Z4965854730 [0,1,0,0,1,0|2,0,0]=4 855 B10R1.113 CC(O)C1=CC(=CC=C1)Cl Z335244960 [0,1,0,0,1,0|1,0,0]=3 856 B10R1.113 CC(O)C1=CC(=CC=C1)F Z335245218 [0,1,0,0,1,0|1,0,0]=3 857 B10R1.113 CC(O)C1=CC(=CC=C1)O Z335245176 [0,1,0,0,1,0|1,0,0]=3 858 B10R1.113 CC(O)C1=CC(=CN=C1)F Z823275188 [0,1,0,0,1,0|2,0,0]=4 859 B10R1.113 CC1=CC(=CC=C1)C(=N)N Z2471262589 [0,1,0,0,1,0|1,0,1]=4 860 B10R1.113 CC1=CC(=CC=C1)C(=O)N Z33546925 [0,1,0,0,1,0|1,0,1]=4 861 B10R1.113 CC1=CC(=CC=C1)C(=S)N Z90122768 [0,1,0,0,1,0|1,0,1]=4 862 B10R1.113 CC1=CC=CC(=C1)C(C)N Z2284390656 [0,1,0,0,1,0|0,0,0]=2 863 B10R1.113 CC1=CC=CC(=C1)C(C)O Z445987122 [0,1,0,0,1,0|1,0,0]=3 864 B10R1.113 CC1=CC=CC(=C1)[C@@H](C)N Z1626921284 [0,1,0,0,1,0|0,0,0]=2 865 B10R1.113 CC1=CC=CC(=C1)[C@@H](C)O Z1127664487 [0,1,0,0,1,0|1,0,0]=3 866 B10R1.113 CC1=CC=CC(=C1)[C@H](C)N Z1626921239 [0,1,0,0,1,0|0,0,0]=2 867 B10R1.113 CC1=CC=CC(=C1)[C@H](C)O Z1127664373 [0,1,0,0,1,0|1,0,0]=3 868 B10R1.113 CC1=CC=CC(=N1)[C@@H](C)N Z1492797078 [0,1,0,0,1,0|1,0,0]=3 869 B10R1.113 CC1=CC=NC(=N1)C(C)N Z2257510671 [0,1,0,0,1,0|2,0,0]=4 870 B10R1.113 CN(C)C1=CC(=CC=C1)F Z1201621444 [0,1,0,0,1,0|2,0,0]=4 871 B10R1.113 CS(=O)C1=CC(=CC=C1)N Z609980392 [0,1,0,0,1,0|2,0,0]=4 872 B10R1.113 C[C@@H](O)C1=CC(=CC=C1)Br Z803153182 [0,1,0,0,1,0|1,0,0]=3 873 B10R1.113 C[C@@H](O)C1=CC(=CC=C1)Cl Z360055382 [0,1,0,0,1,0|1,0,0]=3 874 B10R1.113 C[C@@H](O)C1=CC(=CC=C1)O Z959151708 [0,1,0,0,1,0|1,0,0]=3 875 B10R1.113 C[C@H](O)C1=CC(=CC=C1)Br Z803153180 [0,1,0,0,1,0|1,0,0]=3 876 B10R1.113 C[C@H](O)C1=CC(=CC=C1)Cl Z360055386 [0,1,0,0,1,0|1,0,0]=3 877 B10R1.113 C[C@H](O)C1=CC(=CC=C1)O Z959151706 [0,1,0,0,1,0|1,0,0]=3 878 B10R1.113 N=C(N)C1=CC(=CC=C1)Br Z1741973354 [0,1,0,0,1,0|1,0,1]=4 879 B10R1.113 N=C(N)C1=CC(=CC=C1)Cl Z1362754541 [0,1,0,0,1,0|1,0,1]=4 880 B10R1.113 N=C(N)C1=CC(=CC=C1)F Z1263714076 [0,1,0,0,1,0|1,0,1]=4 881 B10R1.113 N=C(N)C1=CC(=CC=C1)O Z1592024758 [0,1,0,0,1,0|1,0,1]=4 882 B10R1.113 NC(=O)C1=CC(=CC=C1)Br Z33546517 [0,1,0,0,1,0|1,0,1]=4 883 B10R1.113 NC(=O)C1=CC(=CC=C1)Cl Z33546479 [0,1,0,0,1,0|1,0,1]=4 884 B10R1.113 NC(=O)C1=CC(=CC=C1)I Z33546647 [0,1,0,0,1,0|1,0,1]=4 885 B10R1.113 NC(=O)C1=CC(=CC=C1)N Z118530082 [0,1,0,0,1,0|1,0,1]=4 886 B10R1.113 NC(=O)C1=CC(=CC=C1)O Z33546460 [0,1,0,0,1,0|1,0,1]=4 887 B10R1.113 NC(=O)C1=CC(=CC=C1)S Z1255359534 [0,1,0,0,1,0|1,0,1]=4 888 B10R1.113 NC(=S)C1=CC(=CC=C1)Br Z56985752 [0,1,0,0,1,0|1,0,1]=4 889 B10R1.113 NC(=S)C1=CC(=CC=C1)Cl Z56979368 [0,1,0,0,1,0|1,0,1]=4 890 B10R1.113 NC(=S)C1=CC(=CC=C1)F Z56979300 [0,1,0,0,1,0|1,0,1]=4 891 B10R1.113 NC1=CC(=CC=C1)C(F)F Z991556368 [0,1,0,0,1,0|2,0,0]=4 892 B10R1.23 CC(N)C(C)N1C=CC=N1 Z803066292 [0,1,0,0,1,0|2,0,0]=4 893 B10R1.27 CC(CN)CC1=CC=CS1 Z992308868 [0,1,0,0,1,0|1,0,0]=3 894 B10R1.27 CC(CN)CN1C=CC=N1 Z406339312 [0,1,0,0,1,0|2,0,0]=4 895 B10R1.27 CC(CN)CN1C=CN=C1 Z445226240 [0,1,0,0,1,0|2,0,0]=4 896 B10R1.27 CNC(C)CC1=CNN=C1 Z5095434431 [0,1,0,0,1,0|2,0,0]=4 897 B10R1.27 CNC(C)CC1=CSC=C1 Z1333043374 [0,1,0,0,1,0|1,0,0]=3 898 B10R1.27 NC(CO)CC1=CN=CS1 Z2731749295 [0,1,0,0,1,0|2,0,0]=4 899 B10R1.27 NC(CO)CC1=NC=CS1 Z3004013658 [0,1,0,0,1,0|2,0,0]=4 900 B10R1.27 N[C@H](CO)CC1=CNC=N1 Z2697164739 [0,1,0,0,1,0|2,0,0]=4 901 B10R1.27 OCC(O)CN1C=CC=C1 Z1255436209 [0,1,0,0,1,0|2,0,0]=4 902 B10R1.54 CC1=CC=C(S1)CC(C)N Z381678020 [0,1,0,0,1,0|1,0,0]=3 903 B10R1.54 CC1=NNC(=C1)CC(C)N Z1446874472 [0,1,0,0,1,0|2,0,0]=4 904 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [0,1,0,0,0,1|1,0,1]=4 905 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F Z406376784 [0,1,0,0,0,1|1,0,1]=4 906 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I Z1263632422 [0,1,0,0,0,1|1,0,1]=4 907 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Br Z816034502 [0,1,0,0,0,1|1,0,1]=4 908 B12R1.21 CC(=O)NCC1=CC=C(C=C1)N Z600391558 [0,1,0,0,0,1|1,0,1]=4 909 B12R1.21 CC(C)CCC1=CC=C(C=C1)N Z424736042 [0,1,0,0,0,1|1,0,0]=3 910 B12R1.21 CC(C)CNC1=CC=C(C=C1)Cl Z1695729058 [0,1,0,0,0,1|1,0,0]=3 911 B12R1.21 CC(C)CNC1=NC=C(C=C1)F Z802823880 [0,1,0,0,0,1|2,0,0]=4 912 B12R1.21 CC(C)COC1=CC=C(C=C1)O Z381414742 [0,1,0,0,0,1|1,0,0]=3 913 B12R1.21 CC(C)COC1=NC=C(C=C1)N Z285175576 [0,1,0,0,0,1|2,0,0]=4 914 B12R1.21 CC(C)NCC1=CC=C(C=C1)Br Z86129856 [0,1,0,0,0,1|1,0,0]=3 915 B12R1.21 CC(C)NCC1=CC=C(C=C1)F Z86129862 [0,1,0,0,0,1|1,0,0]=3 916 B12R1.21 CC(C)OCC1=CC=C(C=C1)Br Z823855528 [0,1,0,0,0,1|1,0,0]=3 917 B12R1.21 CC(C)OCC1=CC=C(C=C1)N Z285178068 [0,1,0,0,0,1|1,0,0]=3 918 B12R1.21 CC(C)SCC1=CC=C(C=C1)Br Z54548572 [0,1,0,0,0,1|1,0,0]=3 919 B12R1.21 CC(N)CCC1=CC=C(C=C1)Br Z235361851 [0,1,0,0,0,1|0,0,0]=2 920 B12R1.21 CC(N)CCC1=CC=C(C=C1)I Z1947443961 [0,1,0,0,0,1|0,0,0]=2 921 B12R1.21 CC(N)CCC1=CC=C(C=C1)O Z220327456 [0,1,0,0,0,1|0,0,0]=2 922 B12R1.21 CC(N)COC1=CC=C(C=C1)F Z271017038 [0,1,0,0,0,1|0,0,0]=2 923 B12R1.21 CC(O)CCC1=CC=C(C=C1)O Z57921369 [0,1,0,0,0,1|1,0,0]=3 924 B12R1.21 CC1=CC=C(C=C1)CCC(=O)N Z194976512 [0,1,0,0,0,1|1,0,1]=4 925 B12R1.21 CC1=CC=C(C=C1)CNC(=N)N Z911465430 [0,1,0,0,0,1|1,0,1]=4 926 B12R1.21 CC1=CC=C(C=C1)CNC(=O)N Z198194838 [0,1,0,0,0,1|1,0,1]=4 927 B12R1.21 CC1=CC=C(C=C1)CNC(=S)N Z56915894 [0,1,0,0,0,1|1,0,1]=4 928 B12R1.21 CC1=CC=C(C=C1)NCC(C)C Z334955606 [0,1,0,0,0,1|1,0,0]=3 929 B12R1.21 CC1=CC=C(C=C1)OCC(=O)N Z19732046 [0,1,0,0,0,1|1,0,1]=4 930 B12R1.21 CC1=CC=C(C=C1)OCC(=S)N Z295396970 [0,1,0,0,0,1|1,0,1]=4 931 B12R1.21 CC1=CC=C(C=C1)OCC(C)N Z285166960 [0,1,0,0,0,1|0,0,0]=2 932 B12R1.21 CC1=CC=C(C=C1)SCC(=O)N Z18770000 [0,1,0,0,0,1|1,0,1]=4 933 B12R1.21 CC1=CC=C(C=C1)SCC(C)N Z1238717325 [0,1,0,0,0,1|0,0,0]=2 934 B12R1.21 CN(C)CCC1=CC=C(C=C1)Br Z2335774813 [0,1,0,0,0,1|2,0,0]=4 935 B12R1.21 CN(C)CCC1=CC=C(C=C1)N Z335289246 [0,1,0,0,0,1|2,0,0]=4 936 B12R1.21 C[C@@H](O)CNC1=NC=C(C=C1)Br Z1564028158 [0,1,0,0,0,1|2,0,0]=4 937 B12R1.21 C[C@H](O)CNC1=NC=C(C=C1)Br Z1564015843 [0,1,0,0,0,1|2,0,0]=4 938 B12R1.21 FC1=CC=C(C=C1)NCC(F)F Z608352362 [0,1,0,0,0,1|2,0,0]=4 939 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Br Z48820389 [0,1,0,0,0,1|1,0,1]=4 940 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Cl Z48820386 [0,1,0,0,0,1|1,0,1]=4 941 B12R1.21 NC(=O)CCC1=CC=C(C=C1)F Z87614992 [0,1,0,0,0,1|1,0,1]=4 942 B12R1.21 NC(=O)CCC1=CC=C(C=C1)N Z414316852 [0,1,0,0,0,1|1,0,1]=4 943 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Br Z104586672 [0,1,0,0,0,1|1,0,1]=4 944 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Cl Z104647358 [0,1,0,0,0,1|1,0,1]=4 945 B12R1.21 NC(=O)CNC1=CC=C(C=C1)I Z104728120 [0,1,0,0,0,1|1,0,1]=4 946 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br Z19725712 [0,1,0,0,0,1|1,0,1]=4 947 B12R1.21 NC(=O)COC1=CC=C(C=C1)F Z19734788 [0,1,0,0,0,1|1,0,1]=4 948 B12R1.21 NC(=O)COC1=CC=C(C=C1)I Z25086979 [0,1,0,0,0,1|1,0,1]=4 949 B12R1.21 NC(=O)COC1=CC=C(C=C1)N Z239127428 [0,1,0,0,0,1|1,0,1]=4 950 B12R1.21 NC(=O)COC1=CC=C(C=C1)O Z381414726 [0,1,0,0,0,1|1,0,1]=4 951 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Br Z18744574 [0,1,0,0,0,1|1,0,1]=4 952 B12R1.21 NC(=O)CSC1=CC=C(C=C1)F Z16034821 [0,1,0,0,0,1|1,0,1]=4 953 B12R1.21 NC(=O)NCC1=CC=C(C=C1)F Z198194834 [0,1,0,0,0,1|1,0,1]=4 954 B12R1.21 NC(=O)NCC1=CC=C(C=C1)N Z600391988 [0,1,0,0,0,1|1,0,1]=4 955 B12R1.21 NC(=S)COC1=CC=C(C=C1)Cl Z295395122 [0,1,0,0,0,1|1,0,1]=4 956 B12R1.21 NC(=S)NCC1=CC=C(C=C1)F Z111411726 [0,1,0,0,0,1|1,0,1]=4 957 B12R1.21 NC1=CC=C(C=C1)OCC(F)F Z608351552 [0,1,0,0,0,1|2,0,0]=4 958 B12R1.27 C/N=C(\N)/NCC1=CN=CC=C1 Z1090000620 [0,1,0,0,0,1|1,0,1]=4 959 B12R1.27 CC(C=O)CCC1=CC=CC=C1 Z1238838034 [0,1,0,0,0,1|1,0,0]=3 960 B12R1.27 CC(CO)COC1=CC=CC=C1 Z1255385347 [0,1,0,0,0,1|1,0,0]=3 961 B12R1.27 CC(CO)OCC1=CC=CC=C1 Z1492906786 [0,1,0,0,0,1|1,0,0]=3 962 B12R1.27 CC(COC1=CC=CC=C1)NN Z2286637842 [0,1,0,0,0,1|0,0,0]=2 963 B12R1.27 CCC(C)NCC1=CC=CC=C1 Z57981002 [0,1,0,0,0,1|1,0,0]=3 964 B12R1.27 CCC(N)CCC1=CC=CC=C1 Z406453862 [0,1,0,0,0,1|0,0,0]=2 965 B12R1.27 CCC(N)CNC1=CC=CC=C1 Z756919558 [0,1,0,0,0,1|0,0,0]=2 966 B12R1.27 CCC(N)CSC1=CC=CC=C1 Z1238715197 [0,1,0,0,0,1|0,0,0]=2 967 B12R1.27 CCC(O)CCC1=CN=CC=C1 Z1233227787 [0,1,0,0,0,1|2,0,0]=4 968 B12R1.27 CCC(O)CNC1=CC=CC=C1 Z600449702 [0,1,0,0,0,1|1,0,0]=3 969 B12R1.27 CN(CCC1=CC=CC=C1)N=O Z3965372830 [0,1,0,0,0,1|1,0,1]=4 970 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [0,1,0,0,0,1|1,0,1]=4 971 B12R1.27 CNC(=O)COC1=CC=CC=C1 Z19735428 [0,1,0,0,0,1|1,0,1]=4 972 B12R1.27 CNC(=O)CSC1=CC=CC=C1 Z19750829 [0,1,0,0,0,1|1,0,1]=4 973 B12R1.27 CNC(=O)OCC1=CC=CC=C1 Z32016983 [0,1,0,0,0,1|1,0,1]=4 974 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [0,1,0,0,0,1|1,0,1]=4 975 B12R1.27 COC(=O)CNC1=CC=CC=C1 Z1250132387 [0,1,0,0,0,1|1,0,1]=4 976 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 Z823499606 [0,1,0,0,0,1|1,0,0]=3 977 B12R1.27 N/C(=N\O)/CCC1=CC=CC=C1 Z285132818 [0,1,0,0,0,1|1,0,1]=4 978 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 Z104341168 [0,1,0,0,0,1|1,0,1]=4 979 B12R1.27 NCC(=O)CCC1=CC=CC=C1 Z3719299469 [0,1,0,0,0,1|1,0,1]=4 980 B12R1.27 NCC(=O)NCC1=CC=CC=C1 Z398557160 [0,1,0,0,0,1|1,0,1]=4 981 B12R1.27 NCC(=O)OCC1=CC=CC=C1 Z56904671 [0,1,0,0,0,1|1,0,1]=4 982 B12R1.27 NCC(O)COC1=CC=CC=C1 Z271072310 [0,1,0,0,0,1|1,0,0]=3 983 B12R1.27 NNC(=O)CNC1=CC=CC=C1 Z56886393 [0,1,0,0,0,1|1,0,1]=4 984 B12R1.27 NNC(=S)NCC1=CC=CC=C1 Z56828396 [0,1,0,0,0,1|1,0,1]=4 985 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 Z1255432257 [0,1,0,0,0,1|1,0,1]=4 986 B12R1.27 O=C(CCl)COC1=CC=CC=C1 Z1255416714 [0,1,0,0,0,1|1,0,1]=4 987 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 Z56896328 [0,1,0,0,0,1|1,0,1]=4 988 B12R1.27 O=C(CO)NCC1=CC=CC=C1 Z228585446 [0,1,0,0,0,1|1,0,1]=4 989 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 Z1201626370 [0,1,0,0,0,1|1,0,0]=3 990 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [0,1,0,0,0,1|1,0,1]=4 991 B12R1.43 CC(C)C(=O)NC1=CC=CC=C1 Z27782614 [0,1,0,0,0,1|1,0,1]=4 992 B12R1.43 CC(C)C(C)NC1=CC=CC=C1 Z334878086 [0,1,0,0,0,1|1,0,0]=3 993 B12R1.43 CC(Cl)C(=O)CC1=CC=CC=C1 Z558478664 [0,1,0,0,0,1|1,0,0]=3 994 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 Z56921786 [0,1,0,0,0,1|1,0,1]=4 995 B12R1.43 CC(N)C(=O)CC1=CC=CC=C1 Z1262640515 [0,1,0,0,0,1|0,0,0]=2 996 B12R1.43 CC(N)C(=O)NC1=CC=CC=C1 Z1266933914 [0,1,0,0,0,1|0,0,1]=3 997 B12R1.43 CC(N)C(C)OC1=CC=CC=C1 Z803066446 [0,1,0,0,0,1|0,0,0]=2 998 B12R1.43 CC(N)C(O)CC1=CC=CC=C1 Z1483956878 [0,1,0,0,0,1|0,0,0]=2 999 B12R1.43 CC(O)C(=O)NC1=CC=CC=C1 Z212044362 [0,1,0,0,0,1|1,0,1]=4 1000 B12R1.43 CC(SC1=CC=CC=C1)C(=O)N Z19751098 [0,1,0,0,0,1|1,0,1]=4 1001 B12R1.43 CN(CC1=CC=CC=C1)C(=O)N Z198194348 [0,1,0,0,0,1|1,0,1]=4 1002 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N Z228582754 [0,1,0,0,0,1|1,0,1]=4 1003 B12R1.43 CN(N)C(=O)NC1=CC=CC=C1 Z56855649 [0,1,0,0,0,1|1,0,1]=4 1004 B12R1.43 CN(N)C(=S)NC1=CC=CC=C1 Z56844976 [0,1,0,0,0,1|1,0,1]=4 1005 B12R1.43 C[C@@H](N)C(=O)NC1=CN=CC=C1 Z829934968 [0,1,0,0,0,1|1,0,1]=4 1006 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [0,1,0,0,0,1|1,0,1]=4 1007 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [0,1,0,0,0,1|1,0,1]=4 1008 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [0,1,0,0,0,1|1,0,1]=4 1009 B12R1.107 C=C(C)CC(N)C1=CC=CC=C1 Z4497189696 [0,1,0,0,0,1|1,0,1]=4 1010 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 Z104484314 [0,1,0,0,0,1|1,0,0]=3 1011 B12R1.107 CC(C)CC(=O)C1=CC=NC=C1 Z513733930 [0,1,0,0,0,1|2,0,0]=4 1012 B12R1.107 CC(C)CC(=O)C1=NC=CC=C1 Z513733780 [0,1,0,0,0,1|2,0,0]=4 1013 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 Z85929891 [0,1,0,0,0,1|1,0,0]=3 1014 B12R1.107 CC(C)CC(N)C1=NC=CC=C1 Z513795936 [0,1,0,0,0,1|2,0,0]=4 1015 B12R1.107 CC(C)CC(O)C1=NC=CC=C1 Z513749474 [0,1,0,0,0,1|2,0,0]=4 1016 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [0,1,0,0,0,1|1,0,1]=4 1017 B12R1.107 CC(N)CC(=O)C1=CC=CC=C1 Z1413780437 [0,1,0,0,0,1|0,0,0]=2 1018 B12R1.107 CC(N)CC(O)C1=CC=CC=C1 Z1262623600 [0,1,0,0,0,1|0,0,0]=2 1019 B12R1.107 CC(N)CN(C)C1=CC=CC=C1 Z815264124 [0,1,0,0,0,1|0,0,0]=2 1020 B12R1.107 CC(N)CN(C)C1=NC=CC=N1 Z1154688744 [0,1,0,0,0,1|2,0,0]=4 1021 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 Z1089996260 [0,1,0,0,0,1|1,0,1]=4 1022 B12R1.107 CC(NC(=O)N)C1=CC=CC=C1 Z198194342 [0,1,0,0,0,1|1,0,1]=4 1023 B12R1.107 CC(NC(=S)N)C1=CC=CC=C1 Z56913099 [0,1,0,0,0,1|1,0,1]=4 1024 B12R1.107 CN(CC(=O)N)C1=CC=CC=C1 Z54747686 [0,1,0,0,0,1|1,0,1]=4 1025 B12R1.107 CS(=O)CC(N)C1=CC=CC=C1 Z1238793494 [0,1,0,0,0,1|2,0,0]=4 1026 B12R1.107 NC(CC(F)F)C1=CC=CC=C1 Z2327568967 [0,1,0,0,0,1|2,0,0]=4 1027 B12R1.125 C=C(C)CNC1=C(C=CC=C1)Br Z297649770 [0,1,0,0,0,1|1,0,1]=4 1028 B12R1.125 CC(=O)CCC1=C(C=CC=C1)F Z406376954 [0,1,0,0,0,1|1,0,1]=4 1029 B12R1.125 CC(=O)NCC1=C(C=CC=C1)F Z29857733 [0,1,0,0,0,1|1,0,1]=4 1030 B12R1.125 CC(=O)NCC1=C(C=CC=C1)N Z3711224127 [0,1,0,0,0,1|1,0,1]=4 1031 B12R1.125 CC(C)CNC1=C(C=CC=C1)Cl Z334941038 [0,1,0,0,0,1|1,0,0]=3 1032 B12R1.125 CC(C)COC1=C(C=CC=C1)N Z239604732 [0,1,0,0,0,1|1,0,0]=3 1033 B12R1.125 CC(C)NCC1=C(C=CC=C1)F Z86129898 [0,1,0,0,0,1|1,0,0]=3 1034 B12R1.125 CC(C)OCC1=C(C=CC=C1)N Z285178240 [0,1,0,0,0,1|1,0,0]=3 1035 B12R1.125 CC(N)COC1=C(C=CC=C1)F Z271016180 [0,1,0,0,0,1|0,0,0]=2 1036 B12R1.125 CC(O)CNC1=C(C=CC=N1)I Z1252330072 [0,1,0,0,0,1|2,0,0]=4 1037 B12R1.125 CC1=C(C=CC=C1)NCC(=O)N Z104590676 [0,1,0,0,0,1|1,0,1]=4 1038 B12R1.125 CC1=C(C=CC=C1)OCC(=N)N Z823287452 [0,1,0,0,0,1|1,0,1]=4 1039 B12R1.125 CC1=C(C=CC=C1)OCC(=O)N Z19733874 [0,1,0,0,0,1|1,0,1]=4 1040 B12R1.125 CC1=C(C=CC=C1)OCC(C)N Z271016914 [0,1,0,0,0,1|0,0,0]=2 1041 B12R1.125 CN(C)CCC1=C(C=CC=C1)N Z608073162 [0,1,0,0,0,1|2,0,0]=4 1042 B12R1.125 C[C@@H](O)CNC1=C(C=CC=N1)F Z1564027911 [0,1,0,0,0,1|2,0,0]=4 1043 B12R1.125 FC(F)COC1=C(C=CC=C1)Br Z608352776 [0,1,0,0,0,1|2,0,0]=4 1044 B12R1.125 FC1=C(C=CC=C1)NCC(F)F Z608352370 [0,1,0,0,0,1|2,0,0]=4 1045 B12R1.125 N=C(N)NCC1=C(C=CC=C1)F Z3034959360 [0,1,0,0,0,1|1,0,1]=4 1046 B12R1.125 N=C(N)SCC1=C(C=CC=C1)Cl Z48820396 [0,1,0,0,0,1|1,0,1]=4 1047 B12R1.125 NC(=O)CCC1=C(C=CC=C1)Br Z741559968 [0,1,0,0,0,1|1,0,1]=4 1048 B12R1.125 NC(=O)CCC1=C(C=CC=C1)N Z414316848 [0,1,0,0,0,1|1,0,1]=4 1049 B12R1.125 NC(=O)CCC1=C(C=CC=C1)O Z371352778 [0,1,0,0,0,1|1,0,1]=4 1050 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Br Z137588472 [0,1,0,0,0,1|1,0,1]=4 1051 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Cl Z104528166 [0,1,0,0,0,1|1,0,1]=4 1052 B12R1.125 NC(=O)CNC1=C(C=CC=C1)I Z133437412 [0,1,0,0,0,1|1,0,1]=4 1053 B12R1.125 NC(=O)COC1=C(C=CC=C1)Br Z17829253 [0,1,0,0,0,1|1,0,1]=4 1054 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl Z19726626 [0,1,0,0,0,1|1,0,1]=4 1055 B12R1.125 NC(=O)COC1=C(C=CC=C1)F Z19724798 [0,1,0,0,0,1|1,0,1]=4 1056 B12R1.125 NC(=O)COC1=C(C=CC=C1)I Z406416164 [0,1,0,0,0,1|1,0,1]=4 1057 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Br Z149386624 [0,1,0,0,0,1|1,0,1]=4 1058 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Cl Z18459622 [0,1,0,0,0,1|1,0,1]=4 1059 B12R1.125 NC(=O)CSC1=C(C=CC=C1)N Z57332466 [0,1,0,0,0,1|1,0,1]=4 1060 B12R1.125 NC(=O)NCC1=C(C=CC=C1)Cl Z198194806 [0,1,0,0,0,1|1,0,1]=4 1061 B12R1.125 NC(=O)NCC1=C(C=CC=C1)F Z198194842 [0,1,0,0,0,1|1,0,1]=4 1062 B12R1.125 NC1=C(C=CC=C1)OCC(F)F Z608351554 [0,1,0,0,0,1|2,0,0]=4 1063 B12R1.226 CC(=O)CCC1=CC(=CC=C1)C Z406376778 [0,1,0,0,0,1|1,0,1]=4 1064 B12R1.226 CC(=O)CCC1=CC(=CC=C1)F Z406376716 [0,1,0,0,0,1|1,0,1]=4 1065 B12R1.226 CC(=O)NCC1=CC(=CC=C1)Br Z340632658 [0,1,0,0,0,1|1,0,1]=4 1066 B12R1.226 CC(=O)NCC1=CC(=CC=C1)F Z340527618 [0,1,0,0,0,1|1,0,1]=4 1067 B12R1.226 CC(C)CNC1=CC(=CC=C1)Cl Z2236582079 [0,1,0,0,0,1|1,0,0]=3 1068 B12R1.226 CC(C)CNC1=CC(=CC=C1)O Z335562026 [0,1,0,0,0,1|1,0,0]=3 1069 B12R1.226 CC(C)COC1=CC(=CC=C1)N Z223656242 [0,1,0,0,0,1|1,0,0]=3 1070 B12R1.226 CC(C)CSC1=CC(=CN=C1)O Z2182038538 [0,1,0,0,0,1|2,0,0]=4 1071 B12R1.226 CC(C)NCC1=CC(=CC=C1)Br Z86129864 [0,1,0,0,0,1|1,0,0]=3 1072 B12R1.226 CC(C)NCC1=CC(=CC=C1)Cl Z86129878 [0,1,0,0,0,1|1,0,0]=3 1073 B12R1.226 CC(C)NCC1=CC(=CC=C1)F Z86129899 [0,1,0,0,0,1|1,0,0]=3 1074 B12R1.226 CC(C)OCC1=CC(=CC=C1)Br Z823855536 [0,1,0,0,0,1|1,0,0]=3 1075 B12R1.226 CC(C)OCC1=CC(=CC=C1)N Z285178238 [0,1,0,0,0,1|1,0,0]=3 1076 B12R1.226 CC(C)SCC1=CC(=CC=C1)N Z600446400 [0,1,0,0,0,1|1,0,0]=3 1077 B12R1.226 CC(N)CCC1=CC(=CC=C1)F Z406452418 [0,1,0,0,0,1|0,0,0]=2 1078 B12R1.226 CC(N)COC1=CC(=CC=C1)F Z271017410 [0,1,0,0,0,1|0,0,0]=2 1079 B12R1.226 CC(O)CNC1=CC(=CN=C1)Br Z1272133912 [0,1,0,0,0,1|2,0,0]=4 1080 B12R1.226 CC(O)COC1=CC(=CC=C1)F Z854226860 [0,1,0,0,0,1|1,0,0]=3 1081 B12R1.226 CC1=CC(=CC=C1)CCC(=O)N Z194976514 [0,1,0,0,0,1|1,0,1]=4 1082 B12R1.226 CC1=CC(=CC=C1)CNC(=S)N Z847147370 [0,1,0,0,0,1|1,0,1]=4 1083 B12R1.226 CC1=CC(=CC=C1)CSC(=N)N Z57992123 [0,1,0,0,0,1|1,0,1]=4 1084 B12R1.226 CC1=CC(=CC=C1)NCC(=O)N Z104589324 [0,1,0,0,0,1|1,0,1]=4 1085 B12R1.226 CC1=CC(=CC=C1)OCC(=O)N Z19732960 [0,1,0,0,0,1|1,0,1]=4 1086 B12R1.226 CC1=CC=CC(=C1)OCC(C)N Z271016790 [0,1,0,0,0,1|0,0,0]=2 1087 B12R1.226 CC1=NC=CC(=C1)NCC(C)C Z1702863564 [0,1,0,0,0,1|2,0,0]=4 1088 B12R1.226 C[C@@H](O)CNC1=CC(=CN=C1)Br Z1564029648 [0,1,0,0,0,1|2,0,0]=4 1089 B12R1.226 C[C@H](O)CNC1=CC(=CN=C1)Br Z1564017299 [0,1,0,0,0,1|2,0,0]=4 1090 B12R1.226 FC(F)CNC1=CC(=CC=C1)Cl Z608352346 [0,1,0,0,0,1|2,0,0]=4 1091 B12R1.226 FC(F)COC1=CC(=CC=C1)Br Z608352774 [0,1,0,0,0,1|2,0,0]=4 1092 B12R1.226 N=C(N)SCC1=CC(=CC=C1)F Z48820172 [0,1,0,0,0,1|1,0,1]=4 1093 B12R1.226 NC(=O)CCC1=CC(=CC=C1)N Z414316850 [0,1,0,0,0,1|1,0,1]=4 1094 B12R1.226 NC(=O)CNC1=CC(=CC=C1)Br Z104587998 [0,1,0,0,0,1|1,0,1]=4 1095 B12R1.226 NC(=O)CNC1=CC(=CC=C1)F Z104640682 [0,1,0,0,0,1|1,0,1]=4 1096 B12R1.226 NC(=O)COC1=CC(=CC=C1)F Z19755608 [0,1,0,0,0,1|1,0,1]=4 1097 B12R1.226 NC(=O)COC1=CC(=CC=C1)I Z25076202 [0,1,0,0,0,1|1,0,1]=4 1098 B12R1.226 NC(=O)COC1=CC(=CC=C1)N Z235344273 [0,1,0,0,0,1|1,0,1]=4 1099 B12R1.226 NC(=O)COC1=CC(=CC=C1)O Z381415558 [0,1,0,0,0,1|1,0,1]=4 1100 B12R1.226 NC(=O)NCC1=CC(=CC=C1)F Z362629554 [0,1,0,0,0,1|1,0,1]=4 1101 B12R1.891 CC(C)(C)CNC1=CC=CC=C1 Z685843996 [0,1,0,0,0,1|1,0,0]=3 1102 B12R1.891 CC(C)(C)CNC1=CN=CC=C1 Z803053840 [0,1,0,0,0,1|2,0,0]=4 1103 B12R1.891 CC(C)(C)CNC1=NC=CC=C1 Z2242050769 [0,1,0,0,0,1|2,0,0]=4 1104 B12R1.891 CC(C)(C)NCC1=CC=CC=C1 Z56175285 [0,1,0,0,0,1|1,0,0]=3 1105 B12R1.891 CC(C)(C)NCC1=CN=CC=C1 Z56175304 [0,1,0,0,0,1|2,0,0]=4 1106 B12R1.891 CC(C)(C)NCC1=NC=CC=C1 Z111725492 [0,1,0,0,0,1|2,0,0]=4 1107 B12R1.891 CC(C)(N)CCC1=CC=CC=C1 Z1263529573 [0,1,0,0,0,1|0,0,0]=2 1108 B12R1.891 CC(C)(N)CNC1=CC=CC=C1 Z801831906 [0,1,0,0,0,1|0,0,0]=2 1109 B12R1.891 CC(C)(N)COC1=CC=CC=C1 Z4824791821 [0,1,0,0,0,1|0,0,0]=2 1110 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 Z513713254 [0,1,0,0,0,1|1,0,0]=3 1111 B12R1.891 CC(C)(O)COC1=CC=CC=C1 Z600459798 [0,1,0,0,0,1|1,0,0]=3 1112 B12R1.891 CS(=O)(=O)NCC1=CC=CC=C1 Z53825161 [0,1,0,0,0,1|2,0,0]=4 1113 B12R1.891 FC(F)(F)CNC1=CC=CC=C1 Z335250264 [0,1,0,0,0,1|2,0,0]=4 1114 B12R1.891 NS(=O)(=O)CCC1=CC=CC=C1 Z57965898 [0,1,0,0,0,1|2,0,0]=4 1115 B12R1.891 NS(=O)(=O)NCC1=CC=CC=C1 Z300098430 [0,1,0,0,0,1|2,0,0]=4 1116 B12R1.4 C#CC1=CC=C(C=C1)OC(C)C Z1080385566 [0,2,0,0,0,0|2,0,0]=4 1117 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O Z385369920 [0,2,0,0,0,0|1,0,0]=3 1118 B12R1.4 CC(C)CC1=CC=C(C=C1)CO Z385370338 [0,2,0,0,0,0|1,0,0]=3 1119 B12R1.4 CC(C)CC1=NC=C(C=C1)C=O Z2732484016 [0,2,0,0,0,0|2,0,0]=4 1120 B12R1.4 CC(C)NC1=CC=C(C=C1)CN Z4905251594 [0,2,0,0,0,0|2,0,0]=4 1121 B12R1.4 CC(C)OC1=CC=C(C=C1)C#N Z53834533 [0,2,0,0,0,0|2,0,0]=4 1122 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O Z53833127 [0,2,0,0,0,0|2,0,0]=4 1123 B12R1.4 CC(C)OC1=CC=C(C=C1)CO Z54549633 [0,2,0,0,0,0|2,0,0]=4 1124 B12R1.4 CC(C)SC1=CC=C(C=C1)CO Z1157828975 [0,2,0,0,0,0|2,0,0]=4 1125 B12R1.4 CC(O)CC1=CC=C(C=C1)C=O Z1511913303 [0,2,0,0,0,0|1,0,0]=3 1126 B12R1.4 CCC1=CC=C(C=C1)NC(C)C Z266668684 [0,2,0,0,0,0|2,0,0]=4 1127 B12R1.4 CN(C)CC1=CC=C(C=C1)C#N Z54750053 [0,2,0,0,0,0|2,0,0]=4 1128 B12R1.4 CN(C)CC1=CC=C(C=C1)C=O Z1065726000 [0,2,0,0,0,0|2,0,0]=4 1129 B12R1.4 CN(C)CC1=CC=C(C=C1)CO Z336081024 [0,2,0,0,0,0|2,0,0]=4 1130 B12R1.4 CNC1=CC=C(C=C1)OC(C)C Z1889917384 [0,2,0,0,0,0|2,0,0]=4 1131 B12R1.4 COC1=CC=C(C=C1)CC(=O)N Z33546648 [0,2,0,0,0,0|1,0,1]=4 1132 B12R1.4 COC1=CC=C(C=C1)CC(C)O Z228586162 [0,2,0,0,0,0|1,0,0]=3 1133 B12R1.4 N#CC1=CC=C(C=C1)CC(=O)N Z982774006 [0,2,0,0,0,0|1,0,1]=4 1134 B12R1.19 CC(=O)CC1=CC(=C(C=C1)Br)F Z1269186824 [0,2,0,0,0,0|1,0,1]=4 1135 B12R1.19 CC(=O)CC1=CC(=C(C=C1)O)Br Z1269192817 [0,2,0,0,0,0|1,0,1]=4 1136 B12R1.19 CC(C)NC1=CC(=C(C=C1)Cl)Cl Z267194630 [0,2,0,0,0,0|2,0,0]=4 1137 B12R1.19 CC(C)OC1=CC(=C(C=C1)N)Cl Z955172598 [0,2,0,0,0,0|2,0,0]=4 1138 B12R1.19 CC(C)OC1=CC(=C(C=C1)N)F Z839157364 [0,2,0,0,0,0|2,0,0]=4 1139 B12R1.19 CC(N)CC1=CC(=C(C=C1)F)Br Z285144030 [0,2,0,0,0,0|0,0,0]=2 1140 B12R1.19 CC(N)CC1=CC(=C(C=C1)O)O Z1891776857 [0,2,0,0,0,0|0,0,0]=2 1141 B12R1.19 CC(O)CC1=CC(=C(C=C1)Br)F Z1295686053 [0,2,0,0,0,0|1,0,0]=3 1142 B12R1.19 CC1=C(C=C(C=C1)CC(C)N)F Z4098107054 [0,2,0,0,0,0|0,0,0]=2 1143 B12R1.19 CC1=C(C=C(C=C1)CN(C)C)N Z335289232 [0,2,0,0,0,0|2,0,0]=4 1144 B12R1.19 CC1=C(C=CC(=C1)CN(C)C)N Z335289244 [0,2,0,0,0,0|2,0,0]=4 1145 B12R1.19 CC1=C(C=CC(=C1)OC(C)C)N Z239604804 [0,2,0,0,0,0|2,0,0]=4 1146 B12R1.19 CN(C)CC1=CC(=C(C=C1)N)F Z1097100932 [0,2,0,0,0,0|2,0,0]=4 1147 B12R1.19 CN(C)CC1=CC(=C(C=C1)O)Cl Z1945695050 [0,2,0,0,0,0|2,0,0]=4 1148 B12R1.19 CS(=O)CC1=CC(=C(C=C1)Cl)N Z802580892 [0,2,0,0,0,0|2,0,0]=4 1149 B12R1.19 NC(=O)CC1=CC(=C(C=C1)Cl)Cl Z33546666 [0,2,0,0,0,0|1,0,1]=4 1150 B12R1.20 CC(=O)C(C)C1=CC=C(C=C1)Cl Z1276728135 [0,2,0,0,0,0|1,0,1]=4 1151 B12R1.20 CC(=O)C(Cl)C1=CC=C(C=C1)F Z1255439681 [0,2,0,0,0,0|1,0,1]=4 1152 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)Cl Z385417200 [0,2,0,0,0,0|1,0,1]=4 1153 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)N Z1198162397 [0,2,0,0,0,0|1,0,1]=4 1154 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)O Z1198150713 [0,2,0,0,0,0|1,0,1]=4 1155 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)Br Z3211605350 [0,2,0,0,0,0|1,0,0]=3 1156 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)Cl Z221528970 [0,2,0,0,0,0|1,0,0]=3 1157 B12R1.20 CC(C)C(N)C1=CC=C(C=C1)F Z99598998 [0,2,0,0,0,0|1,0,0]=3 1158 B12R1.20 CC(C)C(O)C1=CC=C(C=C1)Cl Z513748660 [0,2,0,0,0,0|1,0,0]=3 1159 B12R1.20 CC(C)C(O)C1=NC=C(C=C1)Br Z1649738214 [0,2,0,0,0,0|2,0,0]=4 1160 B12R1.20 CC(Cl)C(=O)C1=CC=C(C=C1)Br Z56928896 [0,2,0,0,0,0|1,0,1]=4 1161 B12R1.20 CC(Cl)C(=O)C1=CC=C(C=C1)Cl Z85933873 [0,2,0,0,0,0|1,0,1]=4 1162 B12R1.20 CC(Cl)C(=O)C1=CC=C(C=C1)F Z56968508 [0,2,0,0,0,0|1,0,1]=4 1163 B12R1.20 CC(N)C(=O)C1=CC=C(C=C1)Cl Z3023980683 [0,2,0,0,0,0|0,0,1]=3 1164 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)Br Z336086694 [0,2,0,0,0,0|0,0,0]=2 1165 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)F Z336086696 [0,2,0,0,0,0|0,0,0]=2 1166 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)Cl Z56921784 [0,2,0,0,0,0|1,0,1]=4 1167 B12R1.20 NC(=O)C(Br)C1=CC=C(C=C1)F Z198750878 [0,2,0,0,0,0|1,0,1]=4 1168 B12R1.20 NC(=O)C(Cl)C1=CC=C(C=C1)Br Z56791849 [0,2,0,0,0,0|1,0,1]=4 1169 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)Br Z57069227 [0,2,0,0,0,0|1,0,1]=4 1170 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)Cl Z1255523404 [0,2,0,0,0,0|1,0,1]=4 1171 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)F Z220512688 [0,2,0,0,0,0|1,0,1]=4 1172 B12R1.49 CC(C#N)SC1=CC=C(C=C1)Br Z18744283 [0,2,0,0,0,0|1,0,1]=4 1173 B12R1.49 CC(C#N)SC1=CC=C(C=C1)Cl Z19728690 [0,2,0,0,0,0|1,0,1]=4 1174 B12R1.49 CC(C#N)SC1=CC=C(C=C1)F Z16034530 [0,2,0,0,0,0|1,0,1]=4 1175 B12R1.49 CC(CN)OC1=CC=C(C=C1)Br Z844632490 [0,2,0,0,0,0|1,0,0]=3 1176 B12R1.49 CC(CN)OC1=CC=C(C=C1)Cl Z844632498 [0,2,0,0,0,0|1,0,0]=3 1177 B12R1.49 CC(CN)OC1=CC=C(C=C1)F Z274779140 [0,2,0,0,0,0|1,0,0]=3 1178 B12R1.49 CC(CN)SC1=CC=C(C=C1)Br Z1266854950 [0,2,0,0,0,0|1,0,0]=3 1179 B12R1.49 CC1=CC=C(C=C1)CC(=O)CCl Z316174762 [0,2,0,0,0,0|1,0,1]=4 1180 B12R1.49 CC1=CC=C(C=C1)CC(=O)NO Z90728587 [0,2,0,0,0,0|1,0,1]=4 1181 B12R1.49 CC1=CC=C(C=C1)CC(Br)C#N Z85923462 [0,2,0,0,0,0|1,0,1]=4 1182 B12R1.49 CC1=CC=C(C=C1)CC(Cl)C=O Z982126370 [0,2,0,0,0,0|1,0,1]=4 1183 B12R1.49 CC1=CC=C(C=C1)CC(N)CO Z1800620539 [0,2,0,0,0,0|0,0,0]=2 1184 B12R1.49 CC1=CC=C(C=C1)OC(C)CN Z844632044 [0,2,0,0,0,0|1,0,0]=3 1185 B12R1.49 CC1=CC=C(C=C1)SC(C)C#N Z45224430 [0,2,0,0,0,0|1,0,1]=4 1186 B12R1.49 CCC(=O)CC1=CC=C(C=C1)Br Z513733694 [0,2,0,0,0,0|1,0,1]=4 1187 B12R1.49 CCC(=O)CC1=CC=C(C=C1)C Z513735300 [0,2,0,0,0,0|1,0,1]=4 1188 B12R1.49 CCC(C)OC1=CC=C(C=C1)Br Z336342658 [0,2,0,0,0,0|2,0,0]=4 1189 B12R1.49 CCC(C)OC1=CC=C(C=C1)N Z274541874 [0,2,0,0,0,0|2,0,0]=4 1190 B12R1.49 CCC(C)OC1=CC=C(C=C1)O Z381414944 [0,2,0,0,0,0|2,0,0]=4 1191 B12R1.49 CCC(N)CC1=CC=C(C=C1)Br Z2582143601 [0,2,0,0,0,0|0,0,0]=2 1192 B12R1.49 CCC(N)CC1=CC=C(C=C1)C Z431980102 [0,2,0,0,0,0|0,0,0]=2 1193 B12R1.49 CCC(N)CC1=CC=C(C=C1)Cl Z2044769785 [0,2,0,0,0,0|0,0,0]=2 1194 B12R1.49 CCC(N)CC1=CC=C(C=C1)F Z2492774579 [0,2,0,0,0,0|0,0,0]=2 1195 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [0,2,0,0,0,0|0,0,0]=2 1196 B12R1.49 CCC(O)CC1=CC=C(C=C1)C Z513751166 [0,2,0,0,0,0|1,0,0]=3 1197 B12R1.49 CNC(=O)CC1=CC=C(C=C1)Br Z30272406 [0,2,0,0,0,0|1,0,1]=4 1198 B12R1.49 CNC(=O)CC1=CC=C(C=C1)N Z239124750 [0,2,0,0,0,0|1,0,1]=4 1199 B12R1.49 CNC(=O)CC1=CC=C(C=C1)O Z135505392 [0,2,0,0,0,0|1,0,1]=4 1200 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br Z18830099 [0,2,0,0,0,0|1,0,1]=4 1201 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl Z18425668 [0,2,0,0,0,0|1,0,1]=4 1202 B12R1.49 COC(=O)CC1=CC=C(C=C1)N Z285139238 [0,2,0,0,0,0|1,0,1]=4 1203 B12R1.49 C[C@@H](CN)OC1=CC=C(C=C1)Cl Z1860991587 [0,2,0,0,0,0|1,0,0]=3 1204 B12R1.49 NC(CO)CC1=CC=C(C=C1)Cl Z3244488892 [0,2,0,0,0,0|0,0,0]=2 1205 B12R1.49 NC(CO)CC1=CC=C(C=C1)F Z1849004242 [0,2,0,0,0,0|0,0,0]=2 1206 B12R1.49 NC(CO)CC1=CC=C(C=C1)I Z1263636488 [0,2,0,0,0,0|0,0,0]=2 1207 B12R1.49 NC1=CC=C(C=C1)CC(F)CO Z4580450313 [0,2,0,0,0,0|1,0,0]=3 1208 B12R1.49 NCC(=O)CC1=CC=C(C=C1)F Z1889902528 [0,2,0,0,0,0|1,0,1]=4 1209 B12R1.49 NCC(O)CC1=CC=C(C=C1)Br Z4990293859 [0,2,0,0,0,0|1,0,0]=3 1210 B12R1.49 NNC(=O)CC1=CC=C(C=C1)Cl Z56346881 [0,2,0,0,0,0|1,0,1]=4 1211 B12R1.49 NNC(=O)CC1=CC=C(C=C1)F Z56347387 [0,2,0,0,0,0|1,0,1]=4 1212 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [0,2,0,0,0,0|0,0,0]=2 1213 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [0,2,0,0,0,0|0,0,0]=2 1214 B12R1.49 O=C(CC1=CC=C(C=C1)Br)NO Z59182179 [0,2,0,0,0,0|1,0,1]=4 1215 B12R1.49 O=C(CC1=CC=C(C=C1)Cl)NO Z59182084 [0,2,0,0,0,0|1,0,1]=4 1216 B12R1.49 O=C(CC1=CC=C(C=C1)F)NO Z59182031 [0,2,0,0,0,0|1,0,1]=4 1217 B12R1.49 O=C(CC1=CC=C(C=C1)O)NO Z135512374 [0,2,0,0,0,0|1,0,1]=4 1218 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)Br Z408178414 [0,2,0,0,0,0|1,0,1]=4 1219 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)Cl Z316174770 [0,2,0,0,0,0|1,0,1]=4 1220 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)F Z316174768 [0,2,0,0,0,0|1,0,1]=4 1221 B12R1.49 O=C(CO)CC1=CC=C(C=C1)F Z906206828 [0,2,0,0,0,0|1,0,1]=4 1222 B12R1.106 CC(C)(C)CC1=CC=C(C=C1)Br Z1681356955 [0,2,0,0,0,0|1,0,0]=3 1223 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)Br Z1203159865 [0,2,0,0,0,0|2,0,0]=4 1224 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)N Z362795876 [0,2,0,0,0,0|2,0,0]=4 1225 B12R1.106 CC(C)(C)SC1=CC=C(C=C1)N Z332377642 [0,2,0,0,0,0|2,0,0]=4 1226 B12R1.106 CC(C)(N)CC1=CC=C(C=C1)Br Z1263529603 [0,2,0,0,0,0|0,0,0]=2 1227 B12R1.106 CC(C)(O)CC1=CC=C(C=C1)Br Z513707720 [0,2,0,0,0,0|1,0,0]=3 1228 B12R1.106 CC1=CC=C(C=C1)CC(C)(C)N Z415658550 [0,2,0,0,0,0|0,0,0]=2 1229 B12R1.106 CS(=O)(=O)CC1=CC=C(C=C1)Br Z416908782 [0,2,0,0,0,0|2,0,0]=4 1230 B12R1.106 CS(=O)(=O)CC1=CC=C(C=C1)N Z732208132 [0,2,0,0,0,0|2,0,0]=4 1231 B12R1.106 FC(F)(F)CC1=CC=C(C=C1)Br Z1269118370 [0,2,0,0,0,0|2,0,0]=4 1232 B12R1.106 NC1=CC=C(C=C1)CC(F)(F)F Z1198165325 [0,2,0,0,0,0|2,0,0]=4 1233 B12R1.106 NC1=CC=C(C=C1)CS(=O)(=O)N Z235340045 [0,2,0,0,0,0|2,0,0]=4 1234 B12R1.106 NS(=O)(=O)CC1=CC=C(C=C1)Br Z274591724 [0,2,0,0,0,0|2,0,0]=4 1235 B12R1.106 NS(=O)(=O)CC1=CC=C(C=C1)Cl Z274587950 [0,2,0,0,0,0|2,0,0]=4 1236 B12R1.106 NS(=O)(=O)CC1=CC=C(C=C1)F Z241725866 [0,2,0,0,0,0|2,0,0]=4 1237 B12R1.106 OC1=CC=C(C=C1)CC(F)(F)F Z1198278054 [0,2,0,0,0,0|2,0,0]=4 1238 B12R1.233 CC(=O)CC1=C(C=C(C=C1)Br)F Z992965764 [0,2,0,0,0,0|1,0,1]=4 1239 B12R1.233 CC(=O)CC1=C(C=C(C=C1)Cl)F Z1198331241 [0,2,0,0,0,0|1,0,1]=4 1240 B12R1.233 CC(=O)CC1=C(C=C(C=C1)F)Br Z992965738 [0,2,0,0,0,0|1,0,1]=4 1241 B12R1.233 CC(C)CC1=C(C=C(C=C1)O)O Z1513805538 [0,2,0,0,0,0|1,0,0]=3 1242 B12R1.233 CC(C)NC1=C(C=C(C=C1)Cl)N Z359511184 [0,2,0,0,0,0|2,0,0]=4 1243 B12R1.233 CC(C)NC1=C(C=C(C=C1)F)Cl Z267287236 [0,2,0,0,0,0|2,0,0]=4 1244 B12R1.233 CC(C)NC1=C(C=C(C=C1)F)I Z4034733287 [0,2,0,0,0,0|2,0,0]=4 1245 B12R1.233 CC(C)OC1=C(C=C(C=C1)Br)N Z330805102 [0,2,0,0,0,0|2,0,0]=4 1246 B12R1.233 CC(C)OC1=C(C=C(C=C1)Cl)N Z274542066 [0,2,0,0,0,0|2,0,0]=4 1247 B12R1.233 CC(C)OC1=C(C=C(C=C1)F)N Z332376424 [0,2,0,0,0,0|2,0,0]=4 1248 B12R1.233 CC(C)OC1=C(C=C(C=C1)N)Cl Z239873346 [0,2,0,0,0,0|2,0,0]=4 1249 B12R1.233 CC(C)SC1=C(C=C(C=C1)Cl)N Z319450618 [0,2,0,0,0,0|2,0,0]=4 1250 B12R1.233 CC(N)CC1=C(C=C(C=C1)Br)F Z405046456 [0,2,0,0,0,0|0,0,0]=2 1251 B12R1.233 CC(N)CC1=C(C=C(C=C1)Cl)Cl Z285143988 [0,2,0,0,0,0|0,0,0]=2 1252 B12R1.233 CC(N)CC1=C(C=C(C=C1)F)F Z5002837134 [0,2,0,0,0,0|0,0,0]=2 1253 B12R1.233 CC1=C(C=CC(=C1)Br)CC(=O)N Z1617965385 [0,2,0,0,0,0|1,0,1]=4 1254 B12R1.233 CC1=C(C=CC(=C1)N)OC(C)C Z385462788 [0,2,0,0,0,0|2,0,0]=4 1255 B12R1.233 CC1=CC(=C(C=C1)CC(C)N)C Z285143886 [0,2,0,0,0,0|0,0,0]=2 1256 B12R1.233 CC1=CC(=C(C=C1)NC(C)C)C Z1259341051 [0,2,0,0,0,0|2,0,0]=4 1257 B12R1.233 CN(C)CC1=C(C=C(C=C1)N)Br Z489537698 [0,2,0,0,0,0|2,0,0]=4 1258 B12R1.233 CN(C)CC1=C(C=C(C=C1)N)Cl Z905073032 [0,2,0,0,0,0|2,0,0]=4 1259 B12R1.233 CN(C)CC1=C(C=C(C=C1)N)F Z1250077979 [0,2,0,0,0,0|2,0,0]=4 1260 B12R1.233 N=C(N)CC1=C(C=C(C=C1)F)F Z1642389901 [0,2,0,0,0,0|1,0,1]=4 1261 B12R1.233 NC(=O)CC1=C(C=C(C=C1)Br)Cl Z2692246846 [0,2,0,0,0,0|1,0,1]=4 1262 B12R1.34 CC(C1=CC=CC=C1)C(N)CO Z1262398547 [0,2,0,0,0,0|0,0,0]=2 1263 B12R1.34 CC(CN)N(C)C1=CC=CC=C1 Z228572562 [0,2,0,0,0,0|1,0,0]=3 1264 B12R1.34 CC(CO)C(=O)C1=CC=CC=C1 Z1198183441 [0,2,0,0,0,0|1,0,1]=4 1265 B12R1.34 CCC(N)C(C)C1=CC=CC=C1 Z1318372590 [0,2,0,0,0,0|0,0,0]=2 1266 B12R1.34 CCC(N)C(O)C1=CC=CC=C1 Z1695783907 [0,2,0,0,0,0|0,0,0]=2 1267 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 Z594038166 [0,2,0,0,0,0|1,0,1]=4 1268 B12R1.34 CNC(=O)C(O)C1=CC=CC=C1 Z1203869997 [0,2,0,0,0,0|1,0,1]=4 1269 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 Z57046237 [0,2,0,0,0,0|1,0,1]=4 1270 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 Z56757232 [0,2,0,0,0,0|1,0,1]=4 1271 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 Z19752945 [0,2,0,0,0,0|1,0,1]=4 1272 B12R1.34 NC(CO)C(O)C1=CC=NC=C1 Z2696777507 [0,2,0,0,0,0|1,0,0]=3 1273 B12R1.34 NC(CO)C(O)C1=NC=CC=C1 Z2694807446 [0,2,0,0,0,0|1,0,0]=3 1274 B12R1.124 CC(=O)C(N)C1=C(C=CC=C1)F Z2312540924 [0,2,0,0,0,0|1,0,1]=4 1275 B12R1.124 CC(C)C(=O)C1=C(C=CC=C1)Br Z851790218 [0,2,0,0,0,0|1,0,1]=4 1276 B12R1.124 CC(C)C(=O)C1=C(C=CC=C1)Cl Z733415220 [0,2,0,0,0,0|1,0,1]=4 1277 B12R1.124 CC(C)C(N)C1=C(C=CC=C1)Cl Z733415566 [0,2,0,0,0,0|1,0,0]=3 1278 B12R1.124 CC(C)C(N)C1=C(C=CC=C1)N Z1198748043 [0,2,0,0,0,0|1,0,0]=3 1279 B12R1.124 CC(C)N(C)C1=C(C=CC=C1)N Z1993522745 [0,2,0,0,0,0|2,0,0]=4 1280 B12R1.124 CC(N)C(C)C1=C(C=CC=C1)Cl Z3185477902 [0,2,0,0,0,0|0,0,0]=2 1281 B12R1.124 CC(N)C(O)C1=C(C=CC=C1)F Z1272096622 [0,2,0,0,0,0|0,0,0]=2 1282 B12R1.124 CC1=C(C=CC=C1)C(=O)C(C)C Z513734868 [0,2,0,0,0,0|1,0,1]=4 1283 B12R1.124 CC1=C(C=CC=C1)C(N)C(C)C Z513797128 [0,2,0,0,0,0|1,0,0]=3 1284 B12R1.124 CC1=C(N=CC=C1)C(N)C(C)C Z852750962 [0,2,0,0,0,0|2,0,0]=4 1285 B12R1.225 CC(=O)C(O)C1=CC(=CC=C1)Cl Z1255467340 [0,2,0,0,0,0|1,0,1]=4 1286 B12R1.225 CC(Br)C(=O)C1=CC(=CC=C1)Cl Z56946912 [0,2,0,0,0,0|1,0,1]=4 1287 B12R1.225 CC(C)C(=O)C1=CC(=CC=C1)N Z3026469959 [0,2,0,0,0,0|1,0,1]=4 1288 B12R1.225 CC(C)N(C)C1=CC(=CC=C1)N Z376447164 [0,2,0,0,0,0|2,0,0]=4 1289 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C Z1176485649 [0,2,0,0,0,0|2,0,0]=4 1290 B12R1.225 CC(N)C(=O)C1=CC(=CC=C1)O Z3015076235 [0,2,0,0,0,0|0,0,1]=3 1291 B12R1.225 CC(N)C(O)C1=CC(=CC=C1)F Z1695740794 [0,2,0,0,0,0|0,0,0]=2 1292 B12R1.225 C[C@@H](C1=CC(=CC=C1)O)N(C)C Z1198169241 [0,2,0,0,0,0|2,0,0]=4 1293 B12R1.225 C[C@H](N)[C@H](O)C1=CC(=CC=C1)O Z2050038784 [0,2,0,0,0,0|0,0,0]=2 1294 B12R1.225 NC(=O)C(N)C1=CC(=CC=C1)Br Z477338262 [0,2,0,0,0,0|1,0,1]=4 1295 B12R1.253 CC(=O)C(C)(C)C1=CC=CC=C1 Z406676998 [0,2,0,0,0,0|1,0,1]=4 1296 B12R1.253 CC(N)(C(=O)N)C1=CC=CC=C1 Z1211228973 [0,2,0,0,0,0|1,0,1]=4 1297 B12R1.253 CC(N)C(C)(C)C1=CC=CC=C1 Z406677008 [0,2,0,0,0,0|0,0,0]=2 1298 B12R1.253 CC(N)C(C)(O)C1=CC=CC=C1 Z2466617796 [0,2,0,0,0,0|0,0,0]=2 1299 B12R1.253 CC(O)(C(=N)N)C1=CC=CC=C1 Z1723549308 [0,2,0,0,0,0|1,0,1]=4 1300 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 Z56757372 [0,2,0,0,0,0|1,0,1]=4 1301 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 Z1097112643 [0,2,0,0,0,0|1,0,0]=3 1302 B12R1.478 CC(C)C(C=O)C1=CC=CC=C1 Z1255439670 [0,2,0,0,0,0|1,0,0]=3 1303 B12R1.478 CC(C)C(CN)C1=CC=CC=C1 Z366424654 [0,2,0,0,0,0|1,0,0]=3 1304 B12R1.478 CC(C)C(CN)C1=CN=CC=C1 Z1322784254 [0,2,0,0,0,0|2,0,0]=4 1305 B12R1.478 CNC(C1=CC=CC=C1)C(C)C Z164151714 [0,2,0,0,0,0|1,0,0]=3 1306 B12R1.478 CNC(C1=CN=CC=C1)C(C)C Z513800220 [0,2,0,0,0,0|2,0,0]=4 1307 B12R1.478 COC(C(=O)C)C1=CC=CC=C1 Z1513595127 [0,2,0,0,0,0|1,0,1]=4 1308 B12R1.478 NCC(C1=CC=CC=C1)C(F)F Z1269176627 [0,2,0,0,0,0|2,0,0]=4 1309 B12R1.564 CC(C)(C)C(N)C1=CC=CC=C1 Z255149938 [0,2,0,0,0,0|1,0,0]=3 1310 B12R1.564 CC(C)(N)C(O)C1=CC=CC=C1 Z1198157843 [0,2,0,0,0,0|0,0,0]=2 1311 B12R1.564 CC(C1=CC=CC=C1)C(C)(C)N Z2681235948 [0,2,0,0,0,0|0,0,0]=2 1312 B12R1.564 CC(C1=CC=CC=C1)C(C)(C)O Z2235789563 [0,2,0,0,0,0|1,0,0]=3 1313 B12R1.564 CC(C1=CC=CC=C1)S(=O)(=O)N Z954606652 [0,2,0,0,0,0|2,0,0]=4 1314 B12R1.564 CC(F)(F)C(N)C1=CC=CC=C1 Z3889917141 [0,2,0,0,0,0|1,0,0]=3 1315 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F Z1262398374 [0,2,0,0,0,0|2,0,0]=4 1316 B12R1.564 OC(C1=CC=CC=C1)C(Cl)(Cl)Cl Z838925896 [0,2,0,0,0,0|2,0,0]=4 1317 B12R1.564 O[C@@H](C1=CC=CC=C1)C(F)(F)F Z1198169138 [0,2,0,0,0,0|2,0,0]=4 1318 B12R1.564 O[C@H](C1=CC=CC=C1)C(F)(F)F Z1255399129 [0,2,0,0,0,0|2,0,0]=4 1319 B12R1.32 C#CCN(C)CC1=CC=CC=C1 Z103710848 [0,2,0,0,0,0|2,0,0]=4 1320 B12R1.32 CCCC(=O)CC1=CC=CC=C1 Z513733628 [0,2,0,0,0,0|1,0,1]=4 1321 B12R1.32 CCCC(C)NC1=CC=CC=C1 Z334878280 [0,2,0,0,0,0|2,0,0]=4 1322 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [0,2,0,0,0,0|0,0,0]=2 1323 B12R1.32 CN(CCN)CC1=CC=CC=C1 Z285207092 [0,2,0,0,0,0|1,0,0]=3 1324 B12R1.32 CN(CCO)CC1=CC=CC=C1 Z137706074 [0,2,0,0,0,0|2,0,0]=4 1325 B12R1.32 CNC/C(=C/C1=CC=CC=C1)/C Z1137726270 [0,2,0,0,0,0|0,0,2]=4 1326 B12R1.32 CNCC(N)CC1=CC=CC=C1 Z756920442 [0,2,0,0,0,0|0,0,0]=2 1327 B12R1.32 COCC(=O)CC1=CC=CC=C1 Z447897954 [0,2,0,0,0,0|1,0,1]=4 1328 B12R1.32 COCC(N)CC1=CC=CC=C1 Z825742276 [0,2,0,0,0,0|0,0,0]=2 1329 B12R1.32 NC(CCO)CC1=CC=CC=C1 Z1992316427 [0,2,0,0,0,0|0,0,0]=2 1330 B12R1.32 NCCS(=O)CC1=CC=CC=C1 Z802568488 [0,2,0,0,0,0|2,0,0]=4 1331 B12R1.50 C#CC(N)CC1=CC(=CC=C1)F Z3178895122 [0,2,0,0,0,0|0,0,1]=3 1332 B12R1.50 CC(C#N)SC1=CC(=CC=C1)Br Z1020820534 [0,2,0,0,0,0|1,0,1]=4 1333 B12R1.50 CC(CN)OC1=CC(=CC=C1)Br Z844632504 [0,2,0,0,0,0|1,0,0]=3 1334 B12R1.50 CC(CN)OC1=CC(=CC=C1)Cl Z1263820268 [0,2,0,0,0,0|1,0,0]=3 1335 B12R1.50 CC(CN)OC1=CC(=CC=C1)F Z844631990 [0,2,0,0,0,0|1,0,0]=3 1336 B12R1.50 CC1=CC(=CC=C1)CC(=O)CCl Z276118998 [0,2,0,0,0,0|1,0,1]=4 1337 B12R1.50 CC1=CC(=CC=C1)CC(N)CO Z1801307645 [0,2,0,0,0,0|0,0,0]=2 1338 B12R1.50 CC1=CC=CC(=C1)OC(C)CN Z844631960 [0,2,0,0,0,0|1,0,0]=3 1339 B12R1.50 CC1=NC(=CC=C1)CC(N)CO Z4870594850 [0,2,0,0,0,0|1,0,0]=3 1340 B12R1.50 CCC(C)OC1=CC(=CC=C1)N Z331149114 [0,2,0,0,0,0|2,0,0]=4 1341 B12R1.50 CCS(=O)CC1=CC(=CC=C1)Br Z1618064713 [0,2,0,0,0,0|2,0,0]=4 1342 B12R1.50 CNC(=O)CC1=CC(=CC=C1)O Z816010790 [0,2,0,0,0,0|1,0,1]=4 1343 B12R1.50 CNC(C)CC1=CC(=CC=C1)C Z2311236342 [0,2,0,0,0,0|0,0,0]=2 1344 B12R1.50 COC(=O)CC1=CC(=CC=C1)Br Z905185712 [0,2,0,0,0,0|1,0,1]=4 1345 B12R1.50 COC(=O)CC1=CC(=CC=C1)N Z1250132316 [0,2,0,0,0,0|1,0,1]=4 1346 B12R1.50 COC(=O)CC1=CC(=CC=C1)O Z816010254 [0,2,0,0,0,0|1,0,1]=4 1347 B12R1.50 NC(CO)CC1=CC(=CC=C1)F Z1198222234 [0,2,0,0,0,0|0,0,0]=2 1348 B12R1.50 NCC(=O)CC1=CC(=CC=C1)Br Z1981870420 [0,2,0,0,0,0|1,0,1]=4 1349 B12R1.50 NCC(O)CC1=CC(=CC=C1)Br Z4981222469 [0,2,0,0,0,0|1,0,0]=3 1350 B12R1.50 O=C(CC1=CC(=CC=C1)F)NO Z59182830 [0,2,0,0,0,0|1,0,1]=4 1351 B12R1.50 O=C(CC1=CC(=CC=C1)O)NO Z816010210 [0,2,0,0,0,0|1,0,1]=4 1352 B12R1.50 O=C(CCl)CC1=CC(=CC=C1)Br Z408178442 [0,2,0,0,0,0|1,0,1]=4 1353 B12R1.50 O=C(CCl)CC1=CC(=CC=C1)Cl Z316174772 [0,2,0,0,0,0|1,0,1]=4 1354 B12R1.50 O=C(CCl)CC1=CC=CC(=C1)F Z316174766 [0,2,0,0,0,0|1,0,1]=4 1355 B12R1.118 CCC(C#N)OC1=CC=CC=C1 Z851010186 [0,2,0,0,0,0|1,0,1]=4 1356 B12R1.118 CCC(CC1=CC=CC=C1)NC Z513799420 [0,2,0,0,0,0|0,0,0]=2 1357 B12R1.118 CCC(CN)OC1=CC=CC=C1 Z851004988 [0,2,0,0,0,0|1,0,0]=3 1358 B12R1.118 CCC(CO)NC1=CC=CC=C1 Z734137648 [0,2,0,0,0,0|2,0,0]=4 1359 B12R1.118 CCN(CC1=CC=CC=C1)N=O Z1198158367 [0,2,0,0,0,0|1,0,1]=4 1360 B12R1.118 COC(C=O)CC1=CC=CC=C1 Z1511872212 [0,2,0,0,0,0|1,0,0]=3 1361 B12R1.118 COC(CO)CC1=CC=CC=C1 Z1896500221 [0,2,0,0,0,0|1,0,0]=3 1362 B12R1.118 N#CC(CO)CC1=CC=CC=C1 Z1098915220 [0,2,0,0,0,0|0,0,1]=3 1363 B12R1.118 NCC(CO)CC1=CC=CC=C1 Z234896807 [0,2,0,0,0,0|0,0,0]=2 1364 B12R1.118 NCC(CO)CC1=CN=CC=C1 Z1860991485 [0,2,0,0,0,0|1,0,0]=3 1365 B12R1.118 NCC(CO)CC1=NC=CC=C1 Z285228948 [0,2,0,0,0,0|1,0,0]=3 1366 B12R1.118 OCC(CO)CC1=CC=CC=C1 Z1255372888 [0,2,0,0,0,0|1,0,0]=3 1367 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 Z1259281880 [0,2,0,0,0,0|0,0,1]=3 1368 B12R1.194 CC(C)(C=O)CC1=CC=CC=C1 Z1188488760 [0,2,0,0,0,0|1,0,0]=3 1369 B12R1.194 CC(C)(C=O)OC1=CC=CC=C1 Z1511766557 [0,2,0,0,0,0|2,0,0]=4 1370 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 Z1269638453 [0,2,0,0,0,0|0,0,0]=2 1371 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 Z133621020 [0,2,0,0,0,0|2,0,0]=4 1372 B12R1.194 NCC(F)(F)OC1=CC=CC=C1 Z4201275590 [0,2,0,0,0,0|2,0,0]=4 1373 B12R1.371 CC(C#N)SC1=C(C=CC=C1)Br Z166221246 [0,2,0,0,0,0|1,0,1]=4 1374 B12R1.371 CC(C#N)SC1=C(C=CC=C1)Cl Z18459331 [0,2,0,0,0,0|1,0,1]=4 1375 B12R1.371 CC(C#N)SC1=C(C=CC=C1)F Z18098320 [0,2,0,0,0,0|1,0,1]=4 1376 B12R1.371 CC(CN)OC1=C(C=CC=C1)Br Z844632454 [0,2,0,0,0,0|1,0,0]=3 1377 B12R1.371 CC(CN)OC1=C(C=CC=C1)Cl Z1263602349 [0,2,0,0,0,0|1,0,0]=3 1378 B12R1.371 CC(CN)OC1=C(C=CC=C1)F Z844631932 [0,2,0,0,0,0|1,0,0]=3 1379 B12R1.371 CC1=C(C=CC=C1)CC(N)CO Z1198274419 [0,2,0,0,0,0|0,0,0]=2 1380 B12R1.371 CC1=C(C=CC=C1)OC(C)CN Z844631964 [0,2,0,0,0,0|1,0,0]=3 1381 B12R1.371 CCC(=O)CC1=C(C=CC=C1)Br Z513735296 [0,2,0,0,0,0|1,0,1]=4 1382 B12R1.371 CCC(N)CC1=C(C=CC=C1)Br Z1416200896 [0,2,0,0,0,0|0,0,0]=2 1383 B12R1.371 CNC(=O)CC1=C(C=CC=C1)N Z234895127 [0,2,0,0,0,0|1,0,1]=4 1384 B12R1.371 CNC(C)CC1=C(C=CC=C1)C Z1875110273 [0,2,0,0,0,0|0,0,0]=2 1385 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl Z24820310 [0,2,0,0,0,0|1,0,1]=4 1386 B12R1.371 COC(=O)CC1=C(C=CC=C1)I Z1269173309 [0,2,0,0,0,0|1,0,1]=4 1387 B12R1.371 COC(=O)CC1=C(C=CC=C1)N Z1333043515 [0,2,0,0,0,0|1,0,1]=4 1388 B12R1.371 COC(=O)CC1=C(C=CC=C1)O Z1010319062 [0,2,0,0,0,0|1,0,1]=4 1389 B12R1.371 N/C(=N\O)/CC1=C(C=CC=C1)Cl Z451350216 [0,2,0,0,0,0|1,0,1]=4 1390 B12R1.371 O=C(CC1=C(C=CC=C1)Cl)NO Z59182782 [0,2,0,0,0,0|1,0,1]=4 1391 B12R1.371 O=C(CCl)CC1=C(C=CC=C1)Br Z408178456 [0,2,0,0,0,0|1,0,1]=4 1392 B12R1.371 O=C(CCl)CC1=C(C=CC=C1)Cl Z408178450 [0,2,0,0,0,0|1,0,1]=4 1393 B12R1.371 O=C(CCl)CC1=C(C=CC=C1)F Z316174764 [0,2,0,0,0,0|1,0,1]=4 1394 B12R1.371 O=CC(Cl)CC1=C(C=CC=C1)Cl Z982126354 [0,2,0,0,0,0|1,0,1]=4 1395 B12R1.75 C#CC1=C(C=CC=C1)CC(=O)N Z1262691146 [0,2,0,0,0,0|1,0,1]=4 1396 B12R1.75 C#CC1=C(C=CC=C1)OC(C)C Z1404683683 [0,2,0,0,0,0|2,0,0]=4 1397 B12R1.75 CC(C)CC1=C(C=CC=C1)C=O Z1171158400 [0,2,0,0,0,0|1,0,0]=3 1398 B12R1.75 CC(C)NC1=C(C=CC=C1)C=O Z1262562821 [0,2,0,0,0,0|2,0,0]=4 1399 B12R1.75 CC(C)OC1=C(C=CC=C1)C=O Z53833344 [0,2,0,0,0,0|2,0,0]=4 1400 B12R1.75 CN(C)CC1=C(C=CC=C1)CN Z94601181 [0,2,0,0,0,0|2,0,0]=4 1401 B12R1.75 CN(C)CC1=C(C=CC=C1)CO Z336081038 [0,2,0,0,0,0|2,0,0]=4 1402 B12R1.75 COC1=C(C=CC=C1)CC(=O)N Z33545381 [0,2,0,0,0,0|1,0,1]=4 1403 B12R1.75 COC1=C(C=CC=C1)CC(C)O Z445987128 [0,2,0,0,0,0|1,0,0]=3 1404 B12R1.75 COC1=C(C=CC=C1)NC(C)C Z267171966 [0,2,0,0,0,0|2,0,0]=4 1405 B12R1.75 CSC1=C(C=CC=C1)CC(=O)C Z1641983304 [0,2,0,0,0,0|1,0,1]=4 1406 B12R1.75 CSC1=C(C=CC=C1)CC(C)N Z3067374118 [0,2,0,0,0,0|0,0,0]=2 1407 B12R1.127 CC(=O)CC1=C(C=CC(=C1)F)Br Z992965748 [0,2,0,0,0,0|1,0,1]=4 1408 B12R1.127 CC(C)OC1=C(C=CC(=C1)F)N Z1623872319 [0,2,0,0,0,0|2,0,0]=4 1409 B12R1.127 CC(C)OC1=C(C=CC(=C1)F)O Z1255426185 [0,2,0,0,0,0|2,0,0]=4 1410 B12R1.127 CC(O)CC1=C(C=CC(=C1)F)Br Z992976478 [0,2,0,0,0,0|1,0,0]=3 1411 B12R1.127 CC1=C(C=C(C=C1)N)OC(C)C Z1895741280 [0,2,0,0,0,0|2,0,0]=4 1412 B12R1.127 CC1=CC(=C(C=C1)C)NC(C)C Z267155660 [0,2,0,0,0,0|2,0,0]=4 1413 B12R1.127 CC1=CC(=C(C=C1)N)CN(C)C Z335442464 [0,2,0,0,0,0|2,0,0]=4 1414 B12R1.127 CN(C)CC1=C(C=CC(=C1)Cl)N Z1262645408 [0,2,0,0,0,0|2,0,0]=4 1415 B12R1.127 CN(C)CC1=C(C=CC(=C1)N)Cl Z394691460 [0,2,0,0,0,0|2,0,0]=4 1416 B12R1.127 CS(=O)CC1=C(C=CC(=C1)N)Cl Z802580894 [0,2,0,0,0,0|2,0,0]=4 1417 B12R1.151 CC(C)(C)NC1=C(C=CC=C1)N Z1973465436 [0,2,0,0,0,0|2,0,0]=4 1418 B12R1.151 CC(C)(C)OC1=C(C=CC=C1)N Z362795894 [0,2,0,0,0,0|2,0,0]=4 1419 B12R1.151 CC(C)(O)CC1=C(C=CC=C1)Br Z513707712 [0,2,0,0,0,0|1,0,0]=3 1420 B12R1.151 CC(C)(O)CC1=C(C=CC=C1)Cl Z513707752 [0,2,0,0,0,0|1,0,0]=3 1421 B12R1.151 CC1=C(C=CC=C1)CC(C)(C)N Z1263602397 [0,2,0,0,0,0|0,0,0]=2 1422 B12R1.151 CC1=C(C=CC=C1)CS(=O)(=O)N Z274590394 [0,2,0,0,0,0|2,0,0]=4 1423 B12R1.151 CS(=O)(=O)CC1=C(C=CC=C1)Br Z416894838 [0,2,0,0,0,0|2,0,0]=4 1424 B12R1.151 CS(=O)(=O)CC1=C(C=CC=C1)N Z732207950 [0,2,0,0,0,0|2,0,0]=4 1425 B12R1.151 CS(=O)(=O)CC1=C(C=CC=C1)O Z1513868900 [0,2,0,0,0,0|2,0,0]=4 1426 B12R1.151 FC(F)(F)CC1=C(C=CC=C1)Br Z1269208253 [0,2,0,0,0,0|2,0,0]=4 1427 B12R1.151 NC1=C(C=CC=C1)CS(=O)(=O)N Z2289799371 [0,2,0,0,0,0|2,0,0]=4 1428 B12R1.151 NS(=O)(=O)CC1=C(C=CC=C1)Br Z734461494 [0,2,0,0,0,0|2,0,0]=4 1429 B12R1.151 NS(=O)(=O)CC1=C(C=CC=C1)Cl Z274590786 [0,2,0,0,0,0|2,0,0]=4 1430 B12R1.151 NS(=O)(=O)CC1=C(C=CC=C1)F Z274594156 [0,2,0,0,0,0|2,0,0]=4 1431 B12R1.151 NS(=O)(=O)CC1=C(C=CC=C1)I Z3300771595 [0,2,0,0,0,0|2,0,0]=4 1432 B12R1.224 CC(C)NC1=C(C(=CC=C1)F)I Z4044435516 [0,2,0,0,0,0|2,0,0]=4 1433 B12R1.224 CC(C)NC1=C(C(=CC=C1)F)N Z451389158 [0,2,0,0,0,0|2,0,0]=4 1434 B12R1.224 CC(N)CC1=C(C(=CC=C1)F)F Z5033535620 [0,2,0,0,0,0|0,0,0]=2 1435 B12R1.224 CC(O)CC1=C(C(=CC=C1)F)Br Z1295677298 [0,2,0,0,0,0|1,0,0]=3 1436 B12R1.224 CC1=C(C=CC=C1N)CS(=O)C Z802581006 [0,2,0,0,0,0|2,0,0]=4 1437 B12R1.224 NC(=O)CC1=C(C(=CC=C1)Cl)F Z2169650265 [0,2,0,0,0,0|1,0,1]=4 1438 B12R1.1009 CC(=O)CC1=C(C=CC=C1Cl)Cl Z858029228 [0,2,0,0,0,0|1,0,1]=4 1439 B12R1.1009 CC(C)NC1=C(C=CC=C1N)Cl Z359511166 [0,2,0,0,0,0|2,0,0]=4 1440 B12R1.1009 CC(C)SC1=C(C=CC=C1N)Cl Z412037452 [0,2,0,0,0,0|2,0,0]=4 1441 B12R1.1009 CC(N)CC1=C(C=CC=C1Cl)Cl Z1526503318 [0,2,0,0,0,0|0,0,0]=2 1442 B12R1.1009 CC(N)CC1=C(C=CC=C1F)F Z594038146 [0,2,0,0,0,0|0,0,0]=2 1443 B12R1.1009 CC(O)CC1=C(C=CC=C1Cl)Cl Z858029386 [0,2,0,0,0,0|1,0,0]=3 1444 B12R1.1009 N=C(N)CC1=C(C=CC=C1Cl)Cl Z1708089988 [0,2,0,0,0,0|1,0,1]=4 1445 B12R1.1009 N=C(N)CC1=C(C=CC=C1F)Cl Z1695906722 [0,2,0,0,0,0|1,0,1]=4 1446 B12R1.1009 NC(=O)CC1=C(C=CC=C1Cl)Cl Z33546774 [0,2,0,0,0,0|1,0,1]=4 1447 B12R1.1009 NC(=O)CC1=C(C=CC=C1F)Cl Z33546661 [0,2,0,0,0,0|1,0,1]=4 1448 B12R1.1009 NC(=O)CC1=C(C=CC=C1F)F Z1389112660 [0,2,0,0,0,0|1,0,1]=4 1449 B12R1.101 CC(C)OC1=CC(=CC(=C1)N)Br Z1350606462 [0,2,0,0,0,0|2,0,0]=4 1450 B12R1.101 CC(C)OC1=CC(=CC(=C1)N)Cl Z3476234786 [0,2,0,0,0,0|2,0,0]=4 1451 B12R1.101 CC(O)CC1=CC(=CC(=C1)F)Br Z1295686052 [0,2,0,0,0,0|1,0,0]=3 1452 B12R1.101 CC1=CC(=CC(=C1)CC(C)N)C Z1262691704 [0,2,0,0,0,0|0,0,0]=2 1453 B12R1.119 CC(C)(N)CC1=CC(=CC=C1)Br Z415658564 [0,2,0,0,0,0|0,0,0]=2 1454 B12R1.119 CC1=CC(=CC=C1)CS(=O)(=O)N Z274590020 [0,2,0,0,0,0|2,0,0]=4 1455 B12R1.119 CS(=O)(=O)CC1=CC(=CC=C1)N Z732207952 [0,2,0,0,0,0|2,0,0]=4 1456 B12R1.119 FC(F)(F)CC1=CC(=CC=C1)Br Z1269145109 [0,2,0,0,0,0|2,0,0]=4 1457 B12R1.119 NC1=CC(=CC=C1)CC(F)(F)F Z1251364458 [0,2,0,0,0,0|2,0,0]=4 1458 B12R1.119 NC1=CC(=CC=C1)CS(=O)(=O)N Z406717276 [0,2,0,0,0,0|2,0,0]=4 1459 B12R1.119 NS(=O)(=O)CC1=CC(=CC=C1)Br Z734461516 [0,2,0,0,0,0|2,0,0]=4 1460 B12R1.119 NS(=O)(=O)CC1=CC(=CC=C1)Cl Z274588496 [0,2,0,0,0,0|2,0,0]=4 1461 B12R1.119 NS(=O)(=O)CC1=CC(=CC=C1)F Z385450912 [0,2,0,0,0,0|2,0,0]=4 1462 B12R1.438 C#CC1=CC=CC(=C1)NC(C)C Z334874986 [0,2,0,0,0,0|2,0,0]=4 1463 B12R1.438 CC(C)NC1=CC(=CC=C1)C#N Z267355934 [0,2,0,0,0,0|2,0,0]=4 1464 B12R1.438 CC(C)NC1=CC(=CC=C1)CN Z991556910 [0,2,0,0,0,0|2,0,0]=4 1465 B12R1.438 CC(C)OC1=CC(=CC=C1)C#N Z54464105 [0,2,0,0,0,0|2,0,0]=4 1466 B12R1.438 CC(C)OC1=CC(=CC=C1)C=O Z53836052 [0,2,0,0,0,0|2,0,0]=4 1467 B12R1.438 CC(C)OC1=CC(=CC=C1)CO Z335246356 [0,2,0,0,0,0|2,0,0]=4 1468 B12R1.438 CN(C)CC1=CC(=CC=C1)C#N Z103726352 [0,2,0,0,0,0|2,0,0]=4 1469 B12R1.438 CN(C)CC1=CC(=CC=C1)CO Z336081030 [0,2,0,0,0,0|2,0,0]=4 1470 B12R1.438 COC1=CC(=CC=C1)CC(=N)N Z951367838 [0,2,0,0,0,0|1,0,1]=4 1471 B12R1.438 COC1=CC(=CC=C1)CC(=O)N Z33547068 [0,2,0,0,0,0|1,0,1]=4 1472 B10R2.6 C1=CC(=CC=N1)C2CC2 Z3042074264 [1,0,0,1,0,0|1,0,0]=3 1473 B10R2.6 C1=CC(=CC=N1)C2CO2 Z1187818726 [1,0,0,1,0,0|2,0,0]=4 1474 B10R2.6 C1=CC(=CN=C1)C2CO2 Z1187818722 [1,0,0,1,0,0|2,0,0]=4 1475 B10R2.6 C1=CC=C(C=C1)C2CO2 Z104486008 [1,0,0,1,0,0|1,0,0]=3 1476 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 Z1255356265 [1,0,0,1,0,0|1,0,0]=3 1477 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 Z1255390768 [1,0,0,1,0,0|1,0,0]=3 1478 B10R2.6 C1=CN=C(C=C1)C2CO2 Z1187818707 [1,0,0,1,0,0|2,0,0]=4 1479 B10R2.7 C1=CC2=C(C=C1)CC=C2 Z104476162 [1,0,0,1,0,0|0,0,2]=4 1480 B10R2.7 C1=CC2=C(C=C1)CNC2 Z1263820391 [1,0,0,1,0,0|1,0,0]=3 1481 B10R2.7 C1=CC2=C(C=C1)COC2 Z839134770 [1,0,0,1,0,0|1,0,0]=3 1482 B10R2.7 C1=CC2=C(C=C1)NC=C2 Z57833933 [1,0,0,1,0,0|0,0,2]=4 1483 B10R2.7 C1=CC2=C(C=C1)NC=N2 Z57069879 [1,0,0,1,0,0|1,0,1]=4 1484 B10R2.7 C1=CC2=C(C=C1)NCC2 Z104475582 [1,0,0,1,0,0|0,0,0]=2 1485 B10R2.7 C1=CC2=C(C=C1)NN=C2 Z276614452 [1,0,0,1,0,0|1,0,1]=4 1486 B10R2.7 C1=CC2=C(C=C1)NN=N2 Z57127352 [1,0,0,1,0,0|2,0,0]=4 1487 B10R2.7 C1=CC2=C(C=C1)OCC2 Z104505448 [1,0,0,1,0,0|1,0,0]=3 1488 B10R2.7 C1=CC2=C(C=N1)CCN2 Z1650168304 [1,0,0,1,0,0|1,0,0]=3 1489 B10R2.7 C1=CC2=C(C=N1)CCO2 Z1681336163 [1,0,0,1,0,0|2,0,0]=4 1490 B10R2.7 C1=CC2=C(C=N1)NCC2 Z1603826893 [1,0,0,1,0,0|1,0,0]=3 1491 B10R2.7 C1=CC2=C(CCN2)N=C1 Z1203748137 [1,0,0,1,0,0|1,0,0]=3 1492 B10R2.7 C1=CC2=C(CNC2)N=C1 Z1741974952 [1,0,0,1,0,0|2,0,0]=4 1493 B10R2.7 C1=CC2=C(N=C1)NCC2 Z979438826 [1,0,0,1,0,0|1,0,0]=3 1494 B10R2.320 NC1CC2=C1C=CC=C2 Z1918018858 [1,0,0,1,0,0|0,0,0]=2 1495 B10R2.2 NC1CC2=CSC=C2C1 Z3661455884 [0,0,0,1,1,0|1,0,0]=3 1496 B10R2.2 NC1CC2=NC=CN2C1 Z1416167525 [0,0,0,1,1,0|2,0,0]=4 1497 B10R2.5 N[C@@H]1C[C@H]1C2=CNC=N2 Z2798782647 [0,0,0,1,1,0|2,0,0]=4 1498 B10R2.5 N[C@@H]1C[C@H]1C2=CSC=C2 Z2683264163 [0,0,0,1,1,0|1,0,0]=3 1499 B12R2.11 N[C@@H]1C[C@H]1SC2=CC=CC=C2 Z4598403773 [0,0,0,1,0,1|0,0,0]=2 1500 B12R2.22 NC1CN(C1)C2=NC=CC=C2 Z3217364935 [0,0,0,1,0,1|1,0,0]=3 1501 B12R2.22 NC1CN(C1)C2=NC=CN=C2 Z3244717829 [0,0,0,1,0,1|2,0,0]=4 1502 B12R2.22 NC1CN(C1)C2=NC=NC=C2 Z1695922983 [0,0,0,1,0,1|2,0,0]=4 1503 B12R2.22 NC1CN(C1)C2=NN=CC=C2 Z3244717830 [0,0,0,1,0,1|2,0,0]=4 1504 B12R2.22 N[C@H]1C[C@@H](C1)C2=CC=CC=C2 Z2301685436 [0,0,0,1,0,1|0,0,0]=2 1505 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 Z336080338 [0,0,0,1,0,1|1,0,1]=4 1506 B12R2.22 O=C1CC(N1)C2=CC=CC=C2 Z367677412 [0,0,0,1,0,1|1,0,1]=4 1507 B12R2.22 OC1CC(C1)C2=CC=CC=C2 Z501748204 [0,0,0,1,0,1|1,0,0]=3 1508 B12R2.22 OC1CN(C1)C2=NC=CC=C2 Z2935741201 [0,0,0,1,0,1|2,0,0]=4 1509 B12R2.22 O[C@H]1C[C@H](C1)C2=CC=CC=C2 Z1504675336 [0,0,0,1,0,1|1,0,0]=3 1510 B12R2.24 CC1=NC2=C(C=CC=C2)SC1 Z2895174345 [0,0,0,1,0,1|0,0,2]=4 1511 B12R2.24 CC1CC2=C(C=CC=C2)CN1 Z979717380 [0,0,0,1,0,1|1,0,0]=3 1512 B12R2.24 CC1CCC2=C(C1)N=CC=C2 Z2050228155 [0,0,0,1,0,1|2,0,0]=4 1513 B12R2.24 CC1CCC2=C(N1)C=CC=N2 Z4269599049 [0,0,0,1,0,1|1,0,0]=3 1514 B12R2.24 CC1CNC2=C(C1)C=CC=C2 Z1118526687 [0,0,0,1,0,1|1,0,0]=3 1515 B12R2.24 CC1CNC2=C(N1)C=CC=C2 Z1203731025 [0,0,0,1,0,1|0,0,0]=2 1516 B12R2.24 CC1CNC2=C(O1)C=CC=C2 Z1165160777 [0,0,0,1,0,1|1,0,0]=3 1517 B12R2.24 CC1CNC2=C(O1)C=CC=N2 Z1255468652 [0,0,0,1,0,1|2,0,0]=4 1518 B12R2.24 CC1CNC2=C(O1)N=CC=C2 Z1495332399 [0,0,0,1,0,1|2,0,0]=4 1519 B12R2.24 CC1CNC2=C(S1)C=CC=C2 Z1198343217 [0,0,0,1,0,1|1,0,0]=3 1520 B12R2.24 CC1CNC2=CC=CNC2=N1 Z1407672799 [0,0,0,1,0,1|1,0,1]=4 1521 B12R2.24 CC1COC2=C(N1)C=CC=C2 Z1201621516 [0,0,0,1,0,1|0,0,0]=2 1522 B12R2.24 CC1CSC2=C(N1)C=CC=C2 Z1262564902 [0,0,0,1,0,1|0,0,0]=2 1523 B12R2.24 CN1CC2=C(C=CC=C2)CN1 Z415677430 [0,0,0,1,0,1|2,0,0]=4 1524 B12R2.24 C[C@@H]1CC2=C(C=CC=C2)CN1 Z1203733478 [0,0,0,1,0,1|1,0,0]=3 1525 B12R2.24 NC1=NC2=C(C=CC=C2)CS1 Z1198725303 [0,0,0,1,0,1|1,0,1]=4 1526 B12R2.24 NC1CCC2=C(C1)C=CC=C2 Z992716772 [0,0,0,1,0,1|0,0,0]=2 1527 B12R2.24 NC1CCC2=C(C1)C=CC=N2 Z1270312108 [0,0,0,1,0,1|1,0,0]=3 1528 B12R2.24 NC1COC2=C(C1)C=CC=C2 Z415636540 [0,0,0,1,0,1|0,0,0]=2 1529 B12R2.24 NC1COC2=C(C1)C=CC=N2 Z4410234846 [0,0,0,1,0,1|1,0,0]=3 1530 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 Z1201622353 [0,0,0,1,0,1|1,0,1]=4 1531 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 Z1255486033 [0,0,0,1,0,1|1,0,1]=4 1532 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 Z104495562 [0,0,0,1,0,1|1,0,1]=4 1533 B12R2.24 O=C1CCC2=C(N1)C=CC=C2 Z85917566 [0,0,0,1,0,1|1,0,1]=4 1534 B12R2.24 O=C1CNC2=C(N1)C=CC=C2 Z56990723 [0,0,0,1,0,1|1,0,1]=4 1535 B12R2.24 O=C1COC2=C(N1)C=CC=C2 Z56989567 [0,0,0,1,0,1|1,0,1]=4 1536 B12R2.24 O=C1CSC2=C(N1)C=CC=C2 Z55120717 [0,0,0,1,0,1|1,0,1]=4 1537 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 Z1198157416 [0,0,0,1,0,1|1,0,1]=4 1538 B12R2.24 OC1CCC2=C(C1)C=CC=C2 Z445987178 [0,0,0,1,0,1|1,0,0]=3 1539 B12R2.24 OC1CN=C2C=CC=CN2C1 Z1346385602 [0,0,0,1,0,1|2,0,0]=4 1540 B12R2.24 OC1CNC2=C(C1)C=CC=C2 Z1198341064 [0,0,0,1,0,1|1,0,0]=3 1541 B12R2.24 S=C1NC2=C(C=CC=C2)CS1 Z367678726 [0,0,0,1,0,1|1,0,1]=4 1542 B12R2.92 CC1(OC1C2=CC=CC=C2)C Z1486033030 [0,0,0,1,0,1|1,0,0]=3 1543 B12R2.2057 C1=CC(=CC=N1)CNC2CC2 Z90517863 [0,0,0,1,0,1|2,0,0]=4 1544 B12R2.2057 C1=CC(=CN=C1)CNC2CC2 Z90517827 [0,0,0,1,0,1|2,0,0]=4 1545 B12R2.2057 C1=CC(=CN=C1)NCC2CC2 Z445153988 [0,0,0,1,0,1|2,0,0]=4 1546 B12R2.2057 C1=CC=C(C=C1)CCC2CO2 Z1033258586 [0,0,0,1,0,1|1,0,0]=3 1547 B12R2.2057 C1=CC=C(C=C1)NCC2CC2 Z431957604 [0,0,0,1,0,1|1,0,0]=3 1548 B12R2.2057 C1=CC=C(C=C1)OCC2CO2 Z57358969 [0,0,0,1,0,1|1,0,0]=3 1549 B12R2.2057 C1=CC=C(C=C1)SCC2CO2 Z330820010 [0,0,0,1,0,1|1,0,0]=3 1550 B12R2.2057 C1=CN=C(C=C1)CNC2CC2 Z90517825 [0,0,0,1,0,1|2,0,0]=4 1551 B12R2.2403 CC1(CCC2=C1C=CC=C2)N Z449371306 [0,0,0,1,0,1|0,0,0]=2 1552 B12R2.2403 CC1(CCC2=C1C=CC=C2)O Z449370928 [0,0,0,1,0,1|1,0,0]=3 1553 B12R2.2403 CC1(CNC2=C1C=CC=C2)C Z1413780522 [0,0,0,1,0,1|1,0,0]=3 1554 B12R2.2403 CC1(CNC2=C1C=CN=C2)C Z1861999570 [0,0,0,1,0,1|2,0,0]=4 1555 B12R2.2403 CC1(CNC2=C1N=CC=C2)C Z1861999568 [0,0,0,1,0,1|2,0,0]=4 1556 B12R2.2403 CC1(COC2=C1C=CC=C2)N Z5094222723 [0,0,0,1,0,1|0,0,0]=2 1557 B12R2.3190 N=C(N)C1CC2=C1C=CC=C2 Z1613477992 [0,0,0,1,0,1|1,0,1]=4 1558 B12R2.79 CC1=CC=C(C=C1)[C@@H]2C[C@H]2N Z2380468351 [0,1,0,1,0,0|0,0,0]=2 1559 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)Cl Z3074487523 [0,1,0,1,0,0|1,0,0]=3 1560 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)F Z2527567177 [0,1,0,1,0,0|1,0,0]=3 1561 B12R2.79 NC1CC1C2=CC=C(C=C2)F Z1266823169 [0,1,0,1,0,0|0,0,0]=2 1562 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(C=C2)Br Z2298098036 [0,1,0,1,0,0|0,0,0]=2 1563 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(C=C2)Cl Z2298098012 [0,1,0,1,0,0|0,0,0]=2 1564 B12R2.294 BrC1=CC=C(C=C1)CC2CO2 Z2523466484 [0,1,0,1,0,0|1,0,0]=3 1565 B12R2.294 FC1=CC=C(C=C1)CC2CO2 Z1495386285 [0,1,0,1,0,0|1,0,0]=3 1566 B12R2.294 OC1=CC=C(C=C1)OC2CC2 Z1255401633 [0,1,0,1,0,0|2,0,0]=4 1567 B12R2.606 CC1=CC2=C(C=C1)NC(=N)C2 Z4603464626 [0,1,0,1,0,0|1,0,1]=4 1568 B12R2.606 CC1=CC2=C(C=C1)NC(=N2)C Z57370047 [0,1,0,1,0,0|1,0,1]=4 1569 B12R2.606 CC1=CC2=C(N1)C=C(C=C2)Br Z1269196919 [0,1,0,1,0,0|0,0,2]=4 1570 B12R2.606 CC1=CC2=C(N1)C=C(C=C2)F Z1201624894 [0,1,0,1,0,0|0,0,2]=4 1571 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)F Z1203162476 [0,1,0,1,0,0|0,0,2]=4 1572 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)N Z361880768 [0,1,0,1,0,0|0,0,2]=4 1573 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)O Z1198147837 [0,1,0,1,0,0|0,0,2]=4 1574 B12R2.606 CC1=NC2=C(N1)C=CC(=C2)Br Z382823070 [0,1,0,1,0,0|1,0,1]=4 1575 B12R2.606 CC1=NC2=C(N1)C=CC(=C2)O Z1255462447 [0,1,0,1,0,0|1,0,1]=4 1576 B12R2.606 CC1CC2=C(N1)C=CC(=C2)Br Z5212090742 [0,1,0,1,0,0|0,0,0]=2 1577 B12R2.606 CC1CC2=C(O1)C=CC(=C2)Br Z409451514 [0,1,0,1,0,0|1,0,0]=3 1578 B12R2.606 CC1CC2=C(O1)C=CC(=C2)N Z2888802910 [0,1,0,1,0,0|1,0,0]=3 1579 B12R2.606 CC1CC2=C(O1)C=CC(=C2)O Z1513815985 [0,1,0,1,0,0|1,0,0]=3 1580 B12R2.606 CN1CC2=C(C1)C=C(C=C2)N Z406357890 [0,1,0,1,0,0|2,0,0]=4 1581 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 Z2805701617 [0,1,0,1,0,0|1,0,1]=4 1582 B12R2.606 NC1=CC2=C(C=C1)CC(C2)O Z1203581059 [0,1,0,1,0,0|1,0,0]=3 1583 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 Z2768165443 [0,1,0,1,0,0|1,0,1]=4 1584 B12R2.606 NC1CC2=C(C1)C=C(C=C2)Br Z1741978324 [0,1,0,1,0,0|0,0,0]=2 1585 B12R2.606 NC1CC2=C(C1)N=CC(=C2)Br Z3466011318 [0,1,0,1,0,0|1,0,0]=3 1586 B12R2.606 O=C1CC2=C(N1)C=C(C=C2)Cl Z56922083 [0,1,0,1,0,0|1,0,1]=4 1587 B12R2.606 O=C1CC2=C(N1)C=CC(=C2)Br Z299596076 [0,1,0,1,0,0|1,0,1]=4 1588 B12R2.606 O=C1CC2=C(N1)C=CC(=C2)Cl Z104477028 [0,1,0,1,0,0|1,0,1]=4 1589 B12R2.606 O=C1CC2=C(N1)C=CC(=C2)F Z1255450667 [0,1,0,1,0,0|1,0,1]=4 1590 B12R2.606 O=C1CC2=C(N1)C=CC(=C2)O Z1198147431 [0,1,0,1,0,0|1,0,1]=4 1591 B12R2.606 OC1=CC2=C(C=C1)CC(C2)O Z1198729229 [0,1,0,1,0,0|1,0,0]=3 1592 B12R2.606 OC1CC2=C(C1)C=C(C=C2)Cl Z1489210921 [0,1,0,1,0,0|1,0,0]=3 1593 B12R2.606 OC1CC2=C(C1)C=C(C=C2)F Z1862026143 [0,1,0,1,0,0|1,0,0]=3 1594 B12R2.18 CC1=C(C2=C(N1)C=CC=C2)Br Z361892264 [0,1,0,1,0,0|0,0,2]=4 1595 B12R2.18 CC1=C(C2=C(N1)C=CC=C2)C Z56867202 [0,1,0,1,0,0|0,0,2]=4 1596 B12R2.18 CC1=NC2=C(N1C)C=CC=C2 Z53833319 [0,1,0,1,0,0|1,0,1]=4 1597 B12R2.18 CC1=NC2=C(N1N)C=CC=C2 Z119919218 [0,1,0,1,0,0|1,0,1]=4 1598 B12R2.18 CC1C(=O)NC2=C1C=CC=C2 Z425452744 [0,1,0,1,0,0|1,0,1]=4 1599 B12R2.18 CC1C2=C(C=CC=C2)CC1N Z1203580431 [0,1,0,1,0,0|0,0,0]=2 1600 B12R2.18 CC1C2=C(C=CC=C2)CC1O Z1349231024 [0,1,0,1,0,0|1,0,0]=3 1601 B12R2.18 CC1CC2=C(C1=O)C=CC=C2 Z854042930 [0,1,0,1,0,0|1,0,0]=3 1602 B12R2.18 CC1CC2=C(C1N)C=CC=C2 Z1182328130 [0,1,0,1,0,0|0,0,0]=2 1603 B12R2.18 CC1OC2=C(C1N)C=CC=C2 Z2160887371 [0,1,0,1,0,0|1,0,0]=3 1604 B12R2.18 CN1C(=CC2=C1C=CC=C2)N Z3243653956 [0,1,0,1,0,0|0,0,2]=4 1605 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 Z56899025 [0,1,0,1,0,0|1,0,1]=4 1606 B12R2.18 CN1N=C2C=CC=CC2=C1N Z4958191038 [0,1,0,1,0,0|2,0,0]=4 1607 B12R2.18 CN1NC2=C(C1=O)C=CC=C2 Z1255429786 [0,1,0,1,0,0|1,0,1]=4 1608 B12R2.18 C[C@@H]1CC2=C([C@H]1N)C=CC=C2 Z4993149521 [0,1,0,1,0,0|0,0,0]=2 1609 B12R2.18 C[C@H]1C2=C(C=CC=C2)C[C@H]1N Z2514551594 [0,1,0,1,0,0|0,0,0]=2 1610 B12R2.18 NC1CC2=C(C1=O)C=CC=C2 Z1551475987 [0,1,0,1,0,0|0,0,1]=3 1611 B12R2.18 NC1CC2=C(C1O)C=CC=C2 Z1431905060 [0,1,0,1,0,0|0,0,0]=2 1612 B12R2.18 NN1CC2=C(C1=O)C=CC=C2 Z1953500024 [0,1,0,1,0,0|1,0,1]=4 1613 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O Z784894996 [0,1,0,1,0,0|1,0,0]=3 1614 B12R2.18 N[C@@H]1CC2=C([C@H]1O)C=CC=C2 Z2307327484 [0,1,0,1,0,0|0,0,0]=2 1615 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O Z4663003875 [0,1,0,1,0,0|1,0,0]=3 1616 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1N Z4749736623 [0,1,0,1,0,0|0,0,0]=2 1617 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O Z803127638 [0,1,0,1,0,0|1,0,0]=3 1618 B12R2.18 O=C1C2=C(C=CC=C2)CC1Cl Z854067258 [0,1,0,1,0,0|1,0,1]=4 1619 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 Z335244966 [0,1,0,1,0,0|1,0,1]=4 1620 B12R2.18 OC1C2=C(C=CC=C2)CC1Br Z104485720 [0,1,0,1,0,0|1,0,0]=3 1621 B12R2.18 OC1C2=C(C=CC=C2)CC1F Z1509011291 [0,1,0,1,0,0|1,0,0]=3 1622 B12R2.23 CC1CNC1C2=CC=CC=C2 Z1268458216 [0,1,0,1,0,0|0,0,0]=2 1623 B12R2.23 NC1CCC1C2=CC=CC=C2 Z1203589614 [0,1,0,1,0,0|0,0,0]=2 1624 B12R2.23 N[C@@H]1CC[C@@H]1C2=CC=CC=C2 Z2489138864 [0,1,0,1,0,0|0,0,0]=2 1625 B12R2.235 CC1(CC1N)C2=CC=CC=C2 Z1259335890 [0,1,0,1,0,0|0,0,0]=2 1626 B12R2.2075 CC(C1=CC=CC=C1)C2CO2 Z1020679814 [0,1,0,1,0,0|1,0,0]=3 1627 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 Z203239488 [0,1,0,1,0,0|1,0,0]=3 1628 B12R2.27 CNC1CC1C2=CC=CC=C2 Z1443588579 [0,1,0,1,0,0|0,0,0]=2 1629 B12R2.27 CN[C@@H]1C[C@H]1C2=CC=CC=C2 Z3024312938 [0,1,0,1,0,0|0,0,0]=2 1630 B12R2.27 N#C[C@@H]1C[C@H]1C2=CC=CC=C2 Z1198147613 [0,1,0,1,0,0|0,0,1]=3 1631 B12R2.27 NCC1CC1C2=CC=CC=C2 Z1276751392 [0,1,0,1,0,0|0,0,0]=2 1632 B12R2.27 O=C[C@@H]1C[C@H]1C2=CC=CC=C2 Z2298064271 [0,1,0,1,0,0|1,0,0]=3 1633 B12R2.27 OCC1OC1C2=CC=CC=C2 Z1509054538 [0,1,0,1,0,0|1,0,0]=3 1634 B12R2.32 CCC1=NC2=C(N1)C=CC=C2 Z55692907 [0,1,0,1,0,0|1,0,1]=4 1635 B12R2.32 CNC1=NC2=C(N1)C=CC=C2 Z56767838 [0,1,0,1,0,0|1,0,1]=4 1636 B12R2.32 CSC1=NC2=C(N1)C=CC=C2 Z53833331 [0,1,0,1,0,0|1,0,1]=4 1637 B12R2.32 ClCC1=NC2=C(N1)C=CC=C2 Z56943426 [0,1,0,1,0,0|1,0,1]=4 1638 B12R2.32 ClCC1CC2=C(O1)C=CC=C2 Z397587656 [0,1,0,1,0,0|1,0,0]=3 1639 B12R2.32 N#CC1CC2=C(C1)C=CC=C2 Z449368682 [0,1,0,1,0,0|0,0,1]=3 1640 B12R2.32 N#CN1CC2=C(C1)C=CC=C2 Z1258978163 [0,1,0,1,0,0|1,0,1]=4 1641 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 Z2106601624 [0,1,0,1,0,0|0,0,2]=4 1642 B12R2.32 NCC1=NC2=C(N1)C=CC=C2 Z104479710 [0,1,0,1,0,0|1,0,1]=4 1643 B12R2.32 NCC1CC2=C(C1)C=CC=C2 Z1269638468 [0,1,0,1,0,0|0,0,0]=2 1644 B12R2.32 NCC1CC2=C(O1)C=CC=C2 Z291234246 [0,1,0,1,0,0|1,0,0]=3 1645 B12R2.32 O=CC1CC2=C(C1)C=CC=C2 Z1255436588 [0,1,0,1,0,0|1,0,0]=3 1646 B12R2.32 O=CN1CC2=C(C1)C=CC=C2 Z1216818057 [0,1,0,1,0,0|2,0,0]=4 1647 B12R2.32 O=NN1CC2=C(C1)C=CC=C2 Z1726150542 [0,1,0,1,0,0|1,0,1]=4 1648 B12R2.32 OCC1=NC2=C(N1)C=CC=C2 Z56791635 [0,1,0,1,0,0|1,0,1]=4 1649 B12R2.32 OCC1CC2=C(C1)C=CC=C2 Z1198176601 [0,1,0,1,0,0|1,0,0]=3 1650 B12R2.32 OCC1CC2=C(O1)C=CC=C2 Z397587206 [0,1,0,1,0,0|1,0,0]=3 1651 B12R2.37 CC1C(C1C2=CC=CC=C2)N Z3596843396 [0,1,0,1,0,0|0,0,0]=2 1652 B12R2.94 NC1(CC1)CC2=CC=CC=C2 Z1723549343 [0,1,0,1,0,0|0,0,0]=2 1653 B12R2.2058 C1=CC(=CN=C1)OC2CNC2 Z3234812406 [0,1,0,1,0,0|2,0,0]=4 1654 B12R2.2058 C1=CC=C(C=C1)CC2CCN2 Z1324054892 [0,1,0,1,0,0|0,0,0]=2 1655 B12R2.2058 C1=CC=C(C=C1)CC2CNC2 Z234895271 [0,1,0,1,0,0|0,0,0]=2 1656 B12R2.95 CC1(OC2=C(O1)C=CC=C2)C Z1255424302 [0,1,0,1,0,0|2,0,0]=4 1657 B12R2.95 O=S1(=O)CC2=C(N1)C=CC=C2 Z1171481793 [0,1,0,1,0,0|2,0,0]=4 1658 B12R2.115 CC1=C(C=CC=C1)[C@@H]2C[C@H]2N Z2286637165 [0,1,0,1,0,0|0,0,0]=2 1659 B12R2.115 NC1CC1C2=C(C=CC=C2)Br Z1269638533 [0,1,0,1,0,0|0,0,0]=2 1660 B12R2.115 N[C@@H]1C[C@H]1C2=C(C=CC=C2)Cl Z2298098040 [0,1,0,1,0,0|0,0,0]=2 1661 B12R2.202 CC1=C2NC(=O)CC2=CC=C1 Z1198159857 [0,1,0,1,0,0|1,0,1]=4 1662 B12R2.202 CC1=CC2=C(N1)C(=CC=C2)C Z1198147838 [0,1,0,1,0,0|0,0,2]=4 1663 B12R2.202 CC1=CC2=C(N1)C(=CC=C2)Cl Z1198221008 [0,1,0,1,0,0|0,0,2]=4 1664 B12R2.202 CC1=CC2=C(N1)C(=CC=C2)F Z1255418917 [0,1,0,1,0,0|0,0,2]=4 1665 B12R2.202 CC1=NC2=C(N1)C=CC=C2Br Z1269227518 [0,1,0,1,0,0|1,0,1]=4 1666 B12R2.202 CC1CC2=C(C=CC=C2N1)Br Z5214988498 [0,1,0,1,0,0|0,0,0]=2 1667 B12R2.202 CC1CC2=C(O1)C(=CC=C2)Cl Z803153168 [0,1,0,1,0,0|1,0,0]=3 1668 B12R2.202 CN1CC2=C(C1)C(=CC=C2)N Z1901071433 [0,1,0,1,0,0|2,0,0]=4 1669 B12R2.202 NC1=C2NC(=O)CC2=CC=C1 Z1203579747 [0,1,0,1,0,0|1,0,1]=4 1670 B12R2.202 O=C1CC2=C(C=CC=C2N1)Br Z1269158294 [0,1,0,1,0,0|1,0,1]=4 1671 B12R2.202 O=C1CC2=C(C=CC=C2N1)O Z1198161564 [0,1,0,1,0,0|1,0,1]=4 1672 B12R2.202 O=C1CC2=CC=CC(=C2N1)Br Z1269179204 [0,1,0,1,0,0|1,0,1]=4 1673 B12R2.225 BrC1=C(C=CC=C1)CC2CO2 Z1269241605 [0,1,0,1,0,0|1,0,0]=3 1674 B12R2.225 NC1=C(C=CC=C1)NC2CC2 Z2526439762 [0,1,0,1,0,0|2,0,0]=4 1675 B12R2.80 C[C@@H]1O[C@H]1C2=CC(=CC=C2)Cl Z2525216417 [0,1,0,1,0,0|1,0,0]=3 1676 B12R2.80 NC1CC1C2=CC(=CC=C2)Br Z1266823142 [0,1,0,1,0,0|0,0,0]=2 1677 B12R2.80 N[C@@H]1C[C@H]1C2=CC(=CC=C2)Cl Z2298098009 [0,1,0,1,0,0|0,0,0]=2 1678 B12R2.1286 ClC1=CC(=CC=C1)CC2CO2 Z1495386153 [0,1,0,1,0,0|1,0,0]=3 1679 B12R2.1286 FC1=CC(=CC=C1)CC2CO2 Z1495386186 [0,1,0,1,0,0|1,0,0]=3 1680 B12R2.1286 NC1=CC(=CC=C1)NC2CC2 Z376447526 [0,1,0,1,0,0|2,0,0]=4 1681 B12R2.1286 OC1=CC(=CC=C1)OC2CC2 Z1255397767 [0,1,0,1,0,0|2,0,0]=4 1682 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 Z278165226 [0,0,0,2,0,0|1,0,0]=3 1683 B8R1.8 CCCC1=CNN=C1 Z1263714332 [1,0,0,0,1,0|2,0,0]=4 1684 B8R1.8 CCCC1=NC=CN1 Z1201043633 [1,0,0,0,1,0|2,0,0]=4 1685 B8R1.8 CNCC1=CC=CN1 Z102767010 [1,0,0,0,1,0|2,0,0]=4 1686 B8R1.8 CNCC1=CC=CO1 Z57051072 [1,0,0,0,1,0|2,0,0]=4 1687 B8R1.8 CNCC1=CC=CS1 Z56948283 [1,0,0,0,1,0|2,0,0]=4 1688 B8R1.8 CNCC1=COC=C1 Z385447092 [1,0,0,0,1,0|2,0,0]=4 1689 B8R1.8 CNCC1=CSC=C1 Z57206125 [1,0,0,0,1,0|2,0,0]=4 1690 B8R1.8 NCCC1=CC=CN1 Z810507730 [1,0,0,0,1,0|1,0,0]=3 1691 B8R1.8 NCCC1=CC=CO1 Z1694636467 [1,0,0,0,1,0|1,0,0]=3 1692 B8R1.8 NCCC1=CC=CS1 Z90662945 [1,0,0,0,1,0|1,0,0]=3 1693 B8R1.8 NCCC1=CC=NS1 Z2768432862 [1,0,0,0,1,0|2,0,0]=4 1694 B8R1.8 NCCC1=CNC=N1 Z1267773750 [1,0,0,0,1,0|2,0,0]=4 1695 B8R1.8 NCCC1=CNN=C1 Z336080532 [1,0,0,0,1,0|2,0,0]=4 1696 B8R1.8 NCCC1=COC=C1 Z2310701825 [1,0,0,0,1,0|1,0,0]=3 1697 B8R1.8 NCCC1=NC=CO1 Z4925106850 [1,0,0,0,1,0|2,0,0]=4 1698 B8R1.8 NCCC1=NC=CS1 Z2724334997 [1,0,0,0,1,0|2,0,0]=4 1699 B8R1.8 NCCC1=NNC=C1 Z2867120994 [1,0,0,0,1,0|2,0,0]=4 1700 B8R1.8 NCCN1C=CC=N1 Z271005714 [1,0,0,0,1,0|2,0,0]=4 1701 B8R1.8 NCCN1C=CN=C1 Z147642864 [1,0,0,0,1,0|2,0,0]=4 1702 B8R1.8 OCCC1=CC=CO1 Z1179944660 [1,0,0,0,1,0|2,0,0]=4 1703 B8R1.8 OCCC1=CC=CS1 Z397587354 [1,0,0,0,1,0|2,0,0]=4 1704 B8R1.8 OCCC1=COC=C1 Z1179944659 [1,0,0,0,1,0|2,0,0]=4 1705 B8R1.8 OCCC1=CSC=C1 Z397587098 [1,0,0,0,1,0|2,0,0]=4 1706 B8R1.7 CC(C)C1=CC=CS1 Z1198727220 [0,0,0,0,2,0|2,0,0]=4 1707 B8R1.7 CC(N)C1=CC=CN1 Z1198171808 [0,0,0,0,2,0|1,0,0]=3 1708 B8R1.7 CC(N)C1=CC=CO1 Z89283368 [0,0,0,0,2,0|1,0,0]=3 1709 B8R1.7 CC(N)C1=CC=CS1 Z119974474 [0,0,0,0,2,0|1,0,0]=3 1710 B8R1.7 CC(N)C1=CC=NN1 Z362020428 [0,0,0,0,2,0|2,0,0]=4 1711 B8R1.7 CC(N)C1=CC=NS1 Z2687575410 [0,0,0,0,2,0|2,0,0]=4 1712 B8R1.7 CC(N)C1=CNC=N1 Z1198180341 [0,0,0,0,2,0|2,0,0]=4 1713 B8R1.7 CC(N)C1=CNN=C1 Z4606013370 [0,0,0,0,2,0|2,0,0]=4 1714 B8R1.7 CC(N)C1=COC=C1 Z1436472920 [0,0,0,0,2,0|1,0,0]=3 1715 B8R1.7 CC(N)C1=COC=N1 Z3629373018 [0,0,0,0,2,0|2,0,0]=4 1716 B8R1.7 CC(N)C1=CSC=C1 Z513796194 [0,0,0,0,2,0|1,0,0]=3 1717 B8R1.7 CC(N)C1=CSN=C1 Z3486644530 [0,0,0,0,2,0|2,0,0]=4 1718 B8R1.7 CC(N)C1=NC=CO1 Z1962224571 [0,0,0,0,2,0|2,0,0]=4 1719 B8R1.7 CC(N)C1=NC=CS1 Z803082278 [0,0,0,0,2,0|2,0,0]=4 1720 B8R1.7 CC(O)C1=CC=CS1 Z335245078 [0,0,0,0,2,0|2,0,0]=4 1721 B8R1.7 C[C@@H](N)C1=NC=CN1 Z2472857467 [0,0,0,0,2,0|2,0,0]=4 1722 B8R1.7 C[C@H](N)C1=CC=CO1 Z1407007556 [0,0,0,0,2,0|1,0,0]=3 1723 B8R1.7 C[C@H](N)C1=NC=CN1 Z2205958486 [0,0,0,0,2,0|2,0,0]=4 1724 B12R1.252 CC(=O)NCCC1=CC=CC=C1 Z27761567 [0,0,0,0,0,2|1,0,1]=4 1725 B12R1.252 CC(=O)NNCC1=CC=CC=C1 Z1726022904 [0,0,0,0,0,2|1,0,1]=4 1726 B12R1.252 CC(N)CCCC1=CN=CC=C1 Z1255362761 [0,0,0,0,0,2|1,0,0]=3 1727 B12R1.252 CC(N)COCC1=CC=CC=C1 Z271012730 [0,0,0,0,0,2|0,0,0]=2 1728 B12R1.252 CC(O)CC#CC1=CN=CC=C1 Z1861999163 [0,0,0,0,0,2|2,0,0]=4 1729 B12R1.252 CC(O)CCCC1=CN=CC=C1 Z1322050465 [0,0,0,0,0,2|2,0,0]=4 1730 B12R1.252 CC(O)CNCC1=CC=CC=C1 Z57326978 [0,0,0,0,0,2|1,0,0]=3 1731 B12R1.252 CN(C)CCCC1=CC=CC=C1 Z204698992 [0,0,0,0,0,2|2,0,0]=4 1732 B12R1.252 CN(C)CCNC1=CC=CC=C1 Z335250304 [0,0,0,0,0,2|2,0,0]=4 1733 B12R1.252 FC(F)CNCC1=CC=CC=C1 Z608352166 [0,0,0,0,0,2|2,0,0]=4 1734 B12R1.252 N=C(N)COCC1=CC=CC=C1 Z2574925846 [0,0,0,0,0,2|1,0,1]=4 1735 B12R1.252 N=C(N)CSCC1=CC=CC=C1 Z1795818268 [0,0,0,0,0,2|1,0,1]=4 1736 B12R1.252 NC(=O)CCNC1=CC=CC=C1 Z154666194 [0,0,0,0,0,2|1,0,1]=4 1737 B12R1.252 NC(=O)CCOC1=CC=CC=C1 Z33545291 [0,0,0,0,0,2|1,0,1]=4 1738 B12R1.252 NC(=O)CCSC1=CC=CC=C1 Z33547211 [0,0,0,0,0,2|1,0,1]=4 1739 B12R1.252 NC(=O)CNCC1=CC=CC=C1 Z90608463 [0,0,0,0,0,2|1,0,1]=4 1740 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [0,0,0,0,0,2|1,0,1]=4 1741 B12R1.252 NC(=O)NCCC1=CC=CC=C1 Z198194788 [0,0,0,0,0,2|1,0,1]=4 1742 B12R1.252 NC(=O)NOCC1=CC=CC=C1 Z56787772 [0,0,0,0,0,2|1,0,1]=4 1743 B12R1.252 NC(=S)NCCC1=CC=CC=C1 Z56933803 [0,0,0,0,0,2|1,0,1]=4