0 B9R1.35 CC(=O)C1=CC(=NS1)C Z1416183275 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CC(=O)C1=CC=C(O1)C Z94598638 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 CC(=O)C1=COC(=N1)C Z1416198205 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 CC(=O)C1=CSC(=N1)C Z217164388 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 CC(=O)C1=NC(=CN1)C Z1198180201 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.35 CC(=O)C1=NC=C(S1)C Z1136432109 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 CC(=O)C1=NN(C=C1)C Z1201623025 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 CC(C)C1=CC(=NO1)N Z1198357809 [0,0,0,0,0,0|3,1,0]=4 8 B9R1.35 CC(C)C1=CN=C(S1)N Z1171158176 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 CC(C)C1=CNC(=N1)S Z1203735318 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 CC(C)C1=CSC(=N1)N Z118507062 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.35 CC(C)C1=CSC(=O)N1 Z409413334 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.35 CC(C)C1=NC(=S)ON1 Z2004547729 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.35 CC(C)C1=NN(C=C1)C Z1207150731 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.35 CC(C)C1=NN=C(N1)N Z993991054 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.35 CC(C)C1=NN=C(N1)S Z56930794 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.35 CC(C)C1=NN=C(O1)N Z285233896 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 CC(C)C1=NN=C(O1)S Z55879448 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.35 CC(C)C1=NN=C(S1)Br Z1136468833 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.35 CC(C)C1=NN=C(S1)N Z56871803 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.35 CC(C)C1=NNC(=C1)N Z360149362 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 CC(C)C1=NNC(=O)C1 Z50146000 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.35 CC(C)C1=NNC(=O)N1 Z2749971780 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.35 CC(C)C1=NNC(=O)O1 Z1198165279 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.35 CC(C)C1=NOC(=C1)N Z56985760 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.35 CC(C)C1=NOC(=N1)N Z991477728 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.35 CC(C)C1=NOC(=N1)O Z1258992424 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.35 CC(C)C1=NSC(=N1)Cl Z1198221947 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.35 CC(C)C1=NSC(=N1)N Z431702572 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.35 CC(C)N1C=C(C=N1)N Z1263529602 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.35 CC(C)N1C=C(C=N1)O Z1617993976 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.35 CC(C)N1C=CC(=N1)N Z451325192 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.35 CC(C)N1C=CC(=N1)O Z1618149672 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.35 CC(C)N1C=NC(=N1)N Z600615172 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.35 CC(N)C1=CC(=CS1)Br Z3874998794 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.35 CC(N)C1=CN(C=C1)C Z1216817109 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.35 CC(N)C1=CN(C=N1)C Z3613175481 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.35 CC(N)C1=NC(=O)NN1 Z1753032814 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.35 CC(N)C1=NN(C=N1)C Z1744710689 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.35 CC(N)C1=NNC(=N1)N Z4183282827 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.35 CC(N)C1=NOC(=N1)O Z3886155136 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.35 CC(O)C1=CC=C(S1)Cl Z228586148 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.35 CC1=CC(=NO1)C(C)O Z1255467506 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.35 CC1=CC=C(O1)C(C)N Z119990422 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.35 CC1=CC=C(S1)C(C)N Z285186066 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.35 CC1=CN=C(S1)C(C)N Z431954102 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.35 CC1=CN=C(S1)C(C)O Z1136431626 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.35 CC1=CNC(=N1)C(=O)O Z2265206911 [0,0,0,0,0,0|3,0,1]=4 48 B9R1.35 CC1=COC(=N1)C(=O)[O-] Z2938030769 [0,0,0,0,0,0|2,1,1]=4 49 B9R1.35 CC1=CSC(=C1)C(=O)O Z1203160201 [0,0,0,0,0,0|3,0,1]=4 50 B9R1.35 CC1=CSC(=N1)C(=N)N Z1704732765 [0,0,0,0,0,0|2,0,1]=3 51 B9R1.35 CC1=CSC(=N1)C(C)N Z803082186 [0,0,0,0,0,0|1,0,0]=1 52 B9R1.35 CC1=CSC(=N1)C(C)O Z1136431593 [0,0,0,0,0,0|1,0,0]=1 53 B9R1.35 CC1=NC(=CS1)C(C)C Z1152201834 [0,0,0,0,0,0|2,0,0]=2 54 B9R1.35 CC1=NC(=CS1)C(C)N Z445222638 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.35 CC1=NC(=NN1)C(F)F Z1948934926 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.35 CC1=NC(=NO1)C(C)N Z1465461970 [0,0,0,0,0,0|3,0,0]=3 57 B9R1.35 CC1=NC(=NO1)C(C)O Z1783203399 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.35 CC1=NN=C(O1)C(C)N Z1416200978 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.35 CC1=NN=C(O1)C(C)O Z1160901940 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.35 CC1=NNC(=N1)C(C)N Z2065788043 [0,0,0,0,0,0|3,0,0]=3 61 B9R1.35 CC1=NNC(=N1)C(C)O Z853021334 [0,0,0,0,0,0|3,0,0]=3 62 B9R1.35 CC1=NNC(=N1)N(C)C Z1970082360 [0,0,0,0,0,0|3,0,0]=3 63 B9R1.35 CC1=NOC(=N1)C(C)Cl Z254526294 [0,0,0,0,0,0|2,1,0]=3 64 B9R1.35 CC1=NOC(=N1)C(C)N Z1262246236 [0,0,0,0,0,0|2,1,0]=3 65 B9R1.35 CC1=NOC(=N1)C(C)O Z1124735945 [0,0,0,0,0,0|2,1,0]=3 66 B9R1.35 CN(C)C1=NC(=N)CS1 Z57018849 [0,0,0,0,0,0|2,0,1]=3 67 B9R1.35 CN(C)C1=NC(=NN1)N Z2037266943 [0,0,0,0,0,0|4,0,0]=4 68 B9R1.35 C[C@@H](N)C1=CC=C(S1)Cl Z1587257446 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.35 C[C@H](N)C1=CC=C(S1)Br Z1753032856 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.35 C[C@H](N)C1=CC=C(S1)Cl Z1583815700 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.35 O=C(O)C1=NC(=CS1)Br Z1258597092 [0,0,0,0,0,0|3,0,1]=4 72 B8R1.1 CC1=CC=C(O1)CO Z335244864 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.1 CC1=CC=C(S1)CO Z381678056 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.1 CC1=CN=C(O1)CN Z1198236438 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.1 CC1=CN=C(O1)CO Z1198313418 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.1 CC1=CN=C(S1)CN Z994267440 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.1 CC1=CNC(=N1)C=O Z1198166211 [1,0,0,0,0,0|2,0,1]=4 78 B8R1.1 CC1=CNC(=N1)CO Z3015789123 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.1 CC1=COC(=N1)C=O Z1198279988 [1,0,0,0,0,0|1,1,1]=4 80 B8R1.1 CC1=CSC(=C1)C=O Z1255423820 [1,0,0,0,0,0|2,0,1]=4 81 B8R1.1 CC1=CSC(=C1)CN Z2235810231 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.1 CC1=CSC(=N1)C#N Z1255395879 [1,0,0,0,0,0|1,0,1]=3 83 B8R1.1 CC1=CSC(=N1)C=O Z1037606426 [1,0,0,0,0,0|1,0,1]=3 84 B8R1.1 CC1=CSC(=N1)CO Z1037609598 [1,0,0,0,0,0|1,0,0]=2 85 B8R1.1 CC1=CSC(=N1)NN Z57980667 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.1 CC1=NC(=CS1)CCl Z56943451 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.1 CC1=NC(=CS1)CN Z54749838 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.1 CC1=NC(=NN1)CN Z2895197976 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.1 CC1=NC(=NN1)CO Z1431002733 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.1 CC1=NC(=NO1)CN Z1357774192 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.1 CC1=NC(=NO1)CO Z431951982 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.1 CC1=NOC(=N1)CN Z802671508 [1,0,0,0,0,0|2,1,0]=4 93 B8R1.1 CC1=NOC(=N1)CO Z431951984 [1,0,0,0,0,0|2,1,0]=4 94 B8R1.1 CCC1=CC(=CS1)Br Z1255374735 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.1 CCC1=CSC(=N1)Cl Z1037582854 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.1 CCC1=CSC(=N1)N Z1263824431 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.1 CCC1=NC(=NS1)N Z1203581808 [1,0,0,0,0,0|2,0,0]=3 98 B8R1.1 CCC1=NNC(=N1)C Z1271843082 [1,0,0,0,0,0|2,0,0]=3 99 B8R1.1 CCC1=NNC(=N1)N Z1431904363 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.1 CCC1=NNC(=N1)S Z55982179 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.1 CCC1=NOC(=N1)N Z991477732 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.1 CCN1C=CC(=N1)C Z2696515582 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.1 CCN1C=CC(=N1)O Z2941655720 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.1 CCN1N=CC(=N1)N Z3244908712 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.1 CN1C=CC(=N1)CN Z2724335171 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.1 CN1C=CC(=N1)CO Z802669186 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.1 CNC1=NC(=CS1)C Z48860943 [1,0,0,0,0,0|1,0,0]=2 108 B8R1.1 CNC1=NC(=NS1)C Z1203731956 [1,0,0,0,0,0|2,0,0]=3 109 B8R1.1 CNC1=NC(=O)CS1 Z1203731442 [1,0,0,0,0,0|2,0,1]=4 110 B8R1.1 CNC1=NC=C(S1)C Z3333486563 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.1 CNC1=NN(C=C1)C Z1723633645 [1,0,0,0,0,0|3,0,0]=4 112 B8R1.1 CSC1=NC(=NN1)C Z3223608753 [1,0,0,0,0,0|3,0,0]=4 113 B8R1.1 NCC1=CC(=CS1)Br Z234895215 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.1 O=CC1=NC(=CS1)Cl Z1216838518 [1,0,0,0,0,0|2,0,1]=4 115 B8R1.1 OCC1=CC(=CS1)Br Z362636152 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.7 CC(=O)C1=CC=CS1 Z57127896 [1,0,0,0,0,0|2,0,1]=4 117 B8R1.7 CC(=O)C1=NC=CN1 Z2768175711 [1,0,0,0,0,0|2,0,1]=4 118 B8R1.7 CC(=O)C1=NC=CO1 Z1198173545 [1,0,0,0,0,0|1,1,1]=4 119 B8R1.7 CC(=O)C1=NC=CS1 Z1069877574 [1,0,0,0,0,0|1,0,1]=3 120 B8R1.7 CC(C)C1=CC=CS1 Z1198727220 [1,0,0,0,0,0|1,0,0]=2 121 B8R1.7 CC(C)C1=NC=CN1 Z335243296 [1,0,0,0,0,0|1,0,0]=2 122 B8R1.7 CC(C)C1=NN=CN1 Z2130643548 [1,0,0,0,0,0|2,0,0]=3 123 B8R1.7 CC(C)C1=NN=NN1 Z335291104 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.7 CC(C)C1=NNC=C1 Z815437700 [1,0,0,0,0,0|2,0,0]=3 125 B8R1.7 CC(C)N1C=CC=N1 Z802540402 [1,0,0,0,0,0|2,0,0]=3 126 B8R1.7 CC(N)C1=CC=CN1 Z1198171808 [1,0,0,0,0,0|2,0,1]=4 127 B8R1.7 CC(N)C1=CC=CO1 Z89283368 [1,0,0,0,0,0|2,1,0]=4 128 B8R1.7 CC(N)C1=CC=CS1 Z119974474 [1,0,0,0,0,0|2,0,0]=3 129 B8R1.7 CC(N)C1=CC=NS1 Z2687575410 [1,0,0,0,0,0|3,0,0]=4 130 B8R1.7 CC(N)C1=CNC=N1 Z1198180341 [1,0,0,0,0,0|3,0,0]=4 131 B8R1.7 CC(N)C1=COC=N1 Z3629373018 [1,0,0,0,0,0|3,0,0]=4 132 B8R1.7 CC(N)C1=NC=CO1 Z1962224571 [1,0,0,0,0,0|1,1,0]=3 133 B8R1.7 CC(N)C1=NC=CS1 Z803082278 [1,0,0,0,0,0|1,0,0]=2 134 B8R1.7 CC(N)C1=NN=CS1 Z4435730071 [1,0,0,0,0,0|2,0,0]=3 135 B8R1.7 CC(N)C1=NNC=N1 Z1274177567 [1,0,0,0,0,0|3,0,0]=4 136 B8R1.7 CC(O)C1=CC=CS1 Z335245078 [1,0,0,0,0,0|2,0,0]=3 137 B8R1.7 CC(O)C1=CNC=N1 Z1198180340 [1,0,0,0,0,0|3,0,0]=4 138 B8R1.7 CC(O)C1=NC=CN1 Z4326395573 [1,0,0,0,0,0|2,0,0]=3 139 B8R1.7 CC(O)C1=NC=CS1 Z1069884516 [1,0,0,0,0,0|1,0,0]=2 140 B8R1.7 CC(O)C1=NN=CN1 Z2587997232 [1,0,0,0,0,0|3,0,0]=4 141 B8R1.7 CC(O)C1=NNC=C1 Z655071084 [1,0,0,0,0,0|3,0,0]=4 142 B8R1.7 CN(C)C1=NN=CN1 Z4969995706 [1,0,0,0,0,0|3,0,0]=4 143 B8R1.7 C[C@@H](N)C1=NC=CN1 Z2472857467 [1,0,0,0,0,0|2,0,0]=3 144 B8R1.7 C[C@@H](O)C1=CN=CS1 Z1217177234 [1,0,0,0,0,0|3,0,0]=4 145 B8R1.7 C[C@H](N)C1=CC=CO1 Z1407007556 [1,0,0,0,0,0|2,1,0]=4 146 B8R1.7 C[C@H](N)C1=NC=CN1 Z2205958486 [1,0,0,0,0,0|2,0,0]=3 147 B8R1.7 N=C(N)C1=NC=CS1 Z1198733885 [1,0,0,0,0,0|2,0,1]=4 148 B8R1.7 NC(=O)C1=NC=CS1 Z1198177216 [1,0,0,0,0,0|2,0,1]=4 149 B10R1.14 CC1=CC=C(O1)C(O)CN Z363991860 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.14 CC1=CC=C(S1)C(N)CO Z803157338 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.14 CC1=CN=C(S1)C(C)CN Z994267508 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.14 CC1=CSC(=C1)C(=O)CCl Z1238572322 [0,1,0,0,0,0|2,0,1]=4 153 B10R1.14 CC1=NOC(=N1)C(N)CO Z357938696 [0,1,0,0,0,0|2,1,0]=4 154 B10R1.14 CCC(C)C1=CSC(=N1)N Z608067116 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.14 CCC(N)C1=NC(=CS1)C Z803082480 [0,1,0,0,0,0|1,0,0]=2 156 B10R1.14 CCC(N)C1=NC=C(N1)C Z2442102859 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.14 CCC(N)C1=NC=C(S1)C Z431954100 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.14 CCC(N)C1=NOC(=N1)C Z1333043383 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.14 CNC(C)C1=CC=C(S1)C Z594413646 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.14 CNC(C)C1=NC(=NO1)C Z2143576649 [0,1,0,0,0,0|1,1,0]=3 161 B10R1.31 CC(C)C1=CC(=NO1)CN Z3234882014 [0,1,0,0,0,0|2,1,0]=4 162 B10R1.31 CC(C)C1=CC=C(S1)C=O Z1416177549 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.31 CC(C)C1=CN=C(S1)CO Z1216838539 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.31 CC(C)C1=CNC(=N1)C=O Z1255448024 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.31 CC(C)C1=CSC(=N1)CN Z361894430 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.31 CC(C)C1=NC(=CN1)C=O Z1194386310 [0,1,0,0,0,0|1,0,1]=3 167 B10R1.31 CC(C)C1=NC(=CN1)CN Z2941400905 [0,1,0,0,0,0|1,0,0]=2 168 B10R1.31 CC(C)C1=NC(=CS1)C=O Z728138644 [0,1,0,0,0,0|0,0,1]=2 169 B10R1.31 CC(C)C1=NC(=NN1)CN Z2234185606 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.31 CC(C)C1=NC(=NN1)CO Z2188171418 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.31 CC(C)C1=NC=C(S1)C=O Z802592144 [0,1,0,0,0,0|2,0,1]=4 172 B10R1.31 CC(C)C1=NC=C(S1)CN Z5005530576 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.31 CC(C)C1=NN=C(S1)CN Z1335657495 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.31 CC(C)C1=NOC(=N1)CCl Z239089556 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.31 CC(C)C1=NSC(=N1)CO Z1216825203 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.31 CC(C)N1C=C(C=N1)CN Z4873983167 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.31 CC(C)N1C=CC(=N1)C=O Z1322794794 [0,1,0,0,0,0|2,0,1]=4 178 B10R1.31 CC(C)N1C=CC(=N1)CN Z1170383472 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.31 CC(C)N1C=CC(=N1)CO Z1250097992 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.31 CCC1=CN=C(S1)C(C)N Z994288962 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.31 CCC1=CSC(=N1)C(=O)[O-] Z2327135308 [0,1,0,0,0,0|2,0,1]=4 182 B10R1.31 CCC1=CSC(=N1)C(C)N Z2255229081 [0,1,0,0,0,0|1,0,0]=2 183 B10R1.31 CCC1=NC(=CS1)C(C)N Z1170358822 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.31 CCC1=NOC(=N1)C(C)Cl Z254526318 [0,1,0,0,0,0|2,1,0]=4 185 B10R1.31 CN(C)C1=NC(=CS1)CN Z991556980 [0,1,0,0,0,0|1,0,0]=2 186 B10R1.31 CN(C)C1=NOC(=N1)CO Z1723813999 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.31 CNC1=NC(=NO1)C(C)C Z992944644 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.31 CNC1=NN(C=C1)C(C)C Z1957454508 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.31 CNC1=NNC(=C1)C(C)C Z1258578160 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.55 CC(C)(C)C1=COC(=N1)S Z2941377518 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.55 CC(C)(C)C1=CSC(=N1)N Z56799661 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.55 CC(C)(C)C1=NC(=N)SN1 Z1263529658 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.55 CC(C)(C)C1=NC(=NO1)N Z1147463132 [0,1,0,0,0,0|2,1,0]=4 194 B10R1.55 CC(C)(C)C1=NNC(=N1)S Z223042454 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.55 CC(C)(C)C1=NOC(=N1)N Z991477688 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.55 CC(C)(C)C1=NOC(=N1)O Z1258992448 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.55 CC(C)(O)C1=CSC(=N1)N Z2181779175 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.55 CC1=CN=C(S1)C(C)(C)N Z431954282 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.55 CC1=CNC(=N1)C(C)(C)C Z3251951058 [0,1,0,0,0,0|1,0,0]=2 200 B10R1.55 CC1=CNC(=N1)C(C)(C)N Z2235811326 [0,1,0,0,0,0|1,0,0]=2 201 B10R1.55 CC1=CSC(=N1)C(C)(C)N Z425836688 [0,1,0,0,0,0|0,0,0]=1 202 B10R1.55 CC1=NC(=CS1)C(C)(C)C Z204235642 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.55 CC1=NC(=NN1)C(C)(C)N Z3072785542 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.55 CC1=NC(=NO1)C(C)(C)N Z1262254254 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.55 CC1=NOC(=C1)C(C)(C)N Z4512665097 [0,1,0,0,0,0|2,1,0]=4 206 B10R1.55 CC1=NOC(=N1)C(C)(C)N Z1496024600 [0,1,0,0,0,0|1,1,0]=3 207 B10R1.58 CC(C)C1=CC(=O)N(N1)C Z1787355592 [0,1,0,0,0,0|2,0,1]=4 208 B10R1.58 CC(C)C1=NN(C(=N1)N)C Z997587036 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.58 CC(C)N1C=C(C(=N1)N)Cl Z2106602167 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.58 CC(C)N1C=C(C(=N1)N)I Z1681372380 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.58 CC(N)C1=CC(=C(S1)Cl)Br Z5009673490 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.58 CC1=C(SC(=N1)C(=O)[O-])Br Z2941505610 [0,1,0,0,0,0|2,0,1]=4 213 B10R1.58 CC1=C(SC(=N1)N(C)C)Br Z1269186035 [0,1,0,0,0,0|1,0,0]=2 214 B10R1.58 CC1=CN(N=C1N)C(C)C Z995041874 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.58 CC1=NN(C=C1N)C(C)C Z3380844931 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.59 CC(C)C1=NN(C=C1I)C Z1456367729 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.59 CC(C)C1=NN(C=C1N)C Z1270108842 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.59 CC(N)C1=NN(C=C1O)C Z2935008311 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.59 CC1=C(N=C(S1)N)C(C)C Z608350002 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.59 CC1=CC(=NN1C(C)C)C Z802540400 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.59 CC1=NC(=C(O1)C)C(C)N Z4912574711 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.59 CC1=NN(C(=N1)N)C(C)C Z995040878 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.59 CC1=NN(C(=O)C1)C(C)C Z802539862 [0,1,0,0,0,0|2,0,1]=4 224 B8R0.23 CC(=O)CC(=O)C(C)C Z1021460926 [0,0,1,0,0,0|2,1,0]=4 225 B10R2.14 CC1=NN=C(N1)C2CC2 Z927193238 [0,0,0,1,0,0|2,0,1]=4 226 B10R2.14 ClC1=NC(=NS1)C2CC2 Z1255366823 [0,0,0,1,0,0|3,0,0]=4 227 B10R2.14 NC1=NC(=CN1)C2CC2 Z2044769495 [0,0,0,1,0,0|3,0,0]=4 228 B10R2.14 NC1=NC(=CS1)C2CC2 Z335453906 [0,0,0,1,0,0|3,0,0]=4 229 B10R2.14 NC1=NC(=NO1)C2CC2 Z991477730 [0,0,0,1,0,0|3,0,0]=4 230 B10R2.14 NC1=NOC(=N1)C2CC2 Z1147463123 [0,0,0,1,0,0|2,1,0]=4 231 B10R2.14 NC1=NSC(=N1)C2CC2 Z1235956342 [0,0,0,1,0,0|2,0,0]=3 232 B10R2.14 SC1=NC(=NN1)C2CC2 Z221603828 [0,0,0,1,0,0|3,0,0]=4 233 B10R1.13 CC(C)C1=CC=C(C=C1)Br Z732229746 [0,0,0,0,0,1|3,0,0]=4 234 B10R1.13 CC(C)C1=CC=C(C=C1)Cl Z1255372793 [0,0,0,0,0,1|3,0,0]=4 235 B10R1.13 CC(C)C1=CC=C(C=C1)N Z104476320 [0,0,0,0,0,1|3,0,0]=4 236 B10R1.13 CC(C)C1=CC=C(C=C1)O Z56347200 [0,0,0,0,0,1|3,0,0]=4 237 B10R1.13 CC(C)C1=CN=C(N=C1)N Z1137168328 [0,0,0,0,0,1|3,0,0]=4 238 B10R1.13 CC(C)C1=NC=C(C=N1)N Z381402570 [0,0,0,0,0,1|2,0,0]=3 239 B10R1.13 CC(C)C1=NN=C(C=C1)Cl Z432063460 [0,0,0,0,0,1|2,0,0]=3 240 B10R1.13 CC(N)C1=CN=C(C=C1)O Z4423361180 [0,0,0,0,0,1|3,0,0]=4 241 B10R1.13 CC(N)C1=NC=C(C=N1)Br Z3297614825 [0,0,0,0,0,1|3,0,0]=4 242 B10R1.13 CC(N)C1=NC=C(N=C1)Cl Z4188952637 [0,0,0,0,0,1|3,0,0]=4 243 B10R1.13 CC(O)C1=NC=C(C=C1)F Z1255406174 [0,0,0,0,0,1|3,0,0]=4 244 B10R1.13 CC(O)C1=NC=C(C=N1)Br Z1932158895 [0,0,0,0,0,1|3,0,0]=4 245 B10R1.13 CC1=CC=C(C=C1)C(C)C Z104497772 [0,0,0,0,0,1|2,0,0]=3 246 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O Z1127664396 [0,0,0,0,0,1|3,0,0]=4 247 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O Z1127664278 [0,0,0,0,0,1|3,0,0]=4 248 B10R1.13 CN(C)C1=NC=C(C=C1)Br Z808607100 [0,0,0,0,0,1|3,0,0]=4 249 B10R1.13 CN(C)C1=NC=C(C=N1)N Z760032920 [0,0,0,0,0,1|3,0,0]=4 250 B10R1.13 CN(C)C1=NN=C(C=C1)Cl Z108583898 [0,0,0,0,0,1|3,0,0]=4 251 B10R1.13 C[C@H](N)C1=NC=C(C=C1)Cl Z1753033020 [0,0,0,0,0,1|3,0,0]=4 252 B10R1.54 CC(=O)NC1=NC(=CS1)C Z30820114 [0,0,0,0,0,1|1,0,1]=3 253 B10R1.54 CC(C)SC1=NC(=NN1)N Z1259162026 [0,0,0,0,0,1|3,0,0]=4 254 B10R1.54 CC1=CC=C(S1)CC(C)N Z381678020 [0,0,0,0,0,1|3,0,0]=4 255 B10R1.54 CC1=CSC(=N1)CC(=O)[O-] Z169861816 [0,0,0,0,0,1|2,0,1]=4 256 B10R1.54 CC1=CSC(=N1)CC(=S)N Z90660982 [0,0,0,0,0,1|2,0,1]=4 257 B10R1.54 CC1=CSC(=N1)NC(=N)N Z1201618337 [0,0,0,0,0,1|2,0,1]=4 258 B10R1.54 CC1=NN=C(N1)CC(C)C Z927196228 [0,0,0,0,0,1|2,0,1]=4 259 B10R1.54 CC1=NOC(=N1)NC(C)C Z992945134 [0,0,0,0,0,1|1,1,0]=3 260 B10R1.113 CC(=O)C1=NC(=NC=C1)C Z1198152051 [0,0,0,0,0,1|2,0,1]=4 261 B10R1.113 CC(C)C1=CC(=CC=C1)O Z104492878 [0,0,0,0,0,1|3,0,0]=4 262 B10R1.113 CC(C)C1=CC(=NC=C1)N Z1203581683 [0,0,0,0,0,1|3,0,0]=4 263 B10R1.113 CC(C)C1=NC(=CC=N1)Cl Z445153114 [0,0,0,0,0,1|2,0,0]=3 264 B10R1.113 CC(C)C1=NC(=CC=N1)O Z1259335793 [0,0,0,0,0,1|2,0,0]=3 265 B10R1.113 CC(C)C1=NC(=NC=C1)Br Z1269174685 [0,0,0,0,0,1|2,0,0]=3 266 B10R1.113 CC(C)C1=NC=CC(=C1)N Z4438672474 [0,0,0,0,0,1|3,0,0]=4 267 B10R1.113 CC(C)C1=NC=CC(=C1)O Z1255384308 [0,0,0,0,0,1|3,0,0]=4 268 B10R1.113 CC(C)C1=NC=NC(=C1)Br Z798566246 [0,0,0,0,0,1|3,0,0]=4 269 B10R1.113 CC(C)C1=NC=NC(=C1)Cl Z798484906 [0,0,0,0,0,1|3,0,0]=4 270 B10R1.113 CC(C)C1=NC=NC(=C1)O Z798484912 [0,0,0,0,0,1|3,0,0]=4 271 B10R1.113 CC(N)C1=NC(=CC=N1)N Z2235681416 [0,0,0,0,0,1|3,0,0]=4 272 B10R1.113 CC1=CC=CC(=C1)C(C)N Z2284390656 [0,0,0,0,0,1|3,0,0]=4 273 B10R1.113 CC1=CC=CC(=C1)C(C)O Z445987122 [0,0,0,0,0,1|3,0,0]=4 274 B10R1.113 CC1=CC=CC(=C1)[C@@H](C)N Z1626921284 [0,0,0,0,0,1|3,0,0]=4 275 B10R1.113 CC1=CC=CC(=C1)[C@@H](C)O Z1127664487 [0,0,0,0,0,1|3,0,0]=4 276 B10R1.113 CC1=CC=CC(=C1)[C@H](C)N Z1626921239 [0,0,0,0,0,1|3,0,0]=4 277 B10R1.113 CC1=CC=CC(=C1)[C@H](C)O Z1127664373 [0,0,0,0,0,1|3,0,0]=4 278 B10R1.113 CC1=CC=CC(=N1)[C@@H](C)N Z1492797078 [0,0,0,0,0,1|2,0,0]=3 279 B10R1.113 CC1=CC=NC(=N1)C(C)N Z2257510671 [0,0,0,0,0,1|2,0,0]=3 280 B10R1.113 CN(C)C1=NC(=CN=C1)Cl Z850998362 [0,0,0,0,0,1|3,0,0]=4 281 B10R1.113 CN(C)C1=NC(=N)C=CN1 Z1255523398 [0,0,0,0,0,1|3,0,0]=4 282 B10R1.113 CN(C)C1=NC(=NC=C1)N Z1203579775 [0,0,0,0,0,1|3,0,0]=4 283 B10R1.113 CN(C)C1=NC(=NC=N1)N Z1165162994 [0,0,0,0,0,1|3,0,0]=4 284 B7R0.5 CCOC(=N)C(C)C Z1623864182 [1,0,1,0,0,0|0,1,1]=4 285 B7R1.1 C#CC1=NC=CS1 Z1255400696 [2,0,0,0,0,0|0,0,2]=4 286 B7R1.1 CCC1=CC=CO1 Z640169748 [2,0,0,0,0,0|1,1,0]=4 287 B7R1.1 CCC1=CNC=N1 Z1203731354 [2,0,0,0,0,0|2,0,0]=4 288 B7R1.1 CCC1=NC=CN1 Z803154382 [2,0,0,0,0,0|1,0,0]=3 289 B7R1.1 CCC1=NN=CN1 Z2065464313 [2,0,0,0,0,0|2,0,0]=4 290 B7R1.1 CCC1=NNC=C1 Z1238571110 [2,0,0,0,0,0|2,0,0]=4 291 B7R1.1 CCN1C=CC=N1 Z600618624 [2,0,0,0,0,0|2,0,0]=4 292 B7R1.1 CNC1=NC=CS1 Z336483296 [2,0,0,0,0,0|1,0,0]=3 293 B7R1.1 CNC1=NN=CS1 Z1082870996 [2,0,0,0,0,0|2,0,0]=4 294 B7R1.1 COC1=NN=CS1 Z1642058386 [2,0,0,0,0,0|2,0,0]=4 295 B7R1.1 CSC1=NC=CN1 Z1203730949 [2,0,0,0,0,0|2,0,0]=4 296 B7R1.1 N#CC1=NC=CS1 Z1198221374 [2,0,0,0,0,0|1,0,1]=4 297 B7R1.1 NCC1=CC=CS1 Z104485908 [2,0,0,0,0,0|2,0,0]=4 298 B7R1.1 NCC1=NC=CN1 Z1962341939 [2,0,0,0,0,0|2,0,0]=4 299 B7R1.1 NCC1=NC=CO1 Z4774639311 [2,0,0,0,0,0|1,1,0]=4 300 B7R1.1 NCC1=NC=CS1 Z1198107502 [2,0,0,0,0,0|1,0,0]=3 301 B7R1.1 NCC1=NN=CS1 Z2738360224 [2,0,0,0,0,0|2,0,0]=4 302 B7R1.1 OCC1=CC=CS1 Z104478586 [2,0,0,0,0,0|2,0,0]=4 303 B7R1.1 OCC1=NC=CN1 Z825761068 [2,0,0,0,0,0|2,0,0]=4 304 B7R1.1 OCC1=NC=CS1 Z57161013 [2,0,0,0,0,0|1,0,0]=3 305 B7R1.2 BrC1=CSC(=N1)Br Z600503298 [2,0,0,0,0,0|2,0,0]=4 306 B7R1.2 CC1=CNC(=N1)C Z217301646 [2,0,0,0,0,0|1,0,0]=3 307 B7R1.2 CC1=CNC(=N1)N Z2515238565 [2,0,0,0,0,0|2,0,0]=4 308 B7R1.2 CC1=CNC(=N1)S Z1198163268 [2,0,0,0,0,0|2,0,0]=4 309 B7R1.2 CC1=COC(=N1)S Z1416179155 [2,0,0,0,0,0|1,1,0]=4 310 B7R1.2 CC1=CSC(=N1)N Z48847548 [2,0,0,0,0,0|1,0,0]=3 311 B7R1.2 CC1=CSC(=N1)S Z203045926 [2,0,0,0,0,0|1,0,0]=3 312 B7R1.2 CC1=CSC(=O)N1 Z57055803 [2,0,0,0,0,0|1,0,1]=4 313 B7R1.2 CC1=NC(=NS1)N Z1198313987 [2,0,0,0,0,0|2,0,0]=4 314 B7R1.2 CC1=NNC(=N1)C Z57161895 [2,0,0,0,0,0|2,0,0]=4 315 B7R1.2 CC1=NSC(=N1)Cl Z368555490 [2,0,0,0,0,0|2,0,0]=4 316 B7R1.2 CC1=NSC(=N1)N Z431702718 [2,0,0,0,0,0|2,0,0]=4 317 B7R1.2 NC1=CSC(=N1)N Z190661742 [2,0,0,0,0,0|2,0,0]=4 318 B7R1.2 NC1=CSC(=N1)O Z1033300716 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.7 CC1=CC=C(S1)CCN Z3038322398 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.7 CC1=CN=C(S1)CCN Z994267436 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.7 CC1=CNC(=N1)CC#N Z1203734752 [1,1,0,0,0,0|1,0,1]=4 322 B9R1.7 CC1=CSC(=N1)CC#N Z48848958 [1,1,0,0,0,0|0,0,1]=3 323 B9R1.7 CC1=NC(=CS1)CCN Z1744689874 [1,1,0,0,0,0|2,0,0]=4 324 B9R1.7 CC1=NC(=CS1)CCO Z1201624831 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.7 CC1=NC(=NN1)CCN Z1263602348 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.7 CC1=NC(=NO1)CCN Z1682072467 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.7 CC1=NN(C=C1)CCN Z3248014730 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.7 CC1=NN(C=C1)CCO Z3306020937 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.7 CC1=NOC(=N1)CCN Z969559798 [1,1,0,0,0,0|1,1,0]=4 330 B9R1.7 CCCC1=NC(=NN1)C Z385478576 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.7 CCNC1=NC(=CS1)C Z48854598 [1,1,0,0,0,0|0,0,0]=2 332 B9R1.7 CCOC1=NC(=CS1)Cl Z1581816962 [1,1,0,0,0,0|1,0,0]=3 333 B9R1.7 CN1C=CC(=N1)CCO Z1551881302 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.7 CN1C=NC(=N1)CCN Z1682072425 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.7 CNCC1=CC=C(O1)C Z56957484 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.7 CNCC1=CC=C(S1)C Z198747904 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.7 CNCC1=COC(=N1)C Z3098872713 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.7 CNCC1=CSC(=N1)C Z102767814 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.7 CNCC1=NC(=NN1)C Z1250092411 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.7 CNCC1=NN(C=N1)C Z3671702899 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.7 COCC1=NC(=NN1)C Z802558914 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.7 CSCC1=NN(C=C1)C Z1578701131 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.21 CCC1=CC=C(N1)CN Z5211093745 [1,1,0,0,0,0|1,0,1]=4 344 B9R1.21 CCC1=CC=C(O1)CN Z4604674433 [1,1,0,0,0,0|2,0,0]=4 345 B9R1.21 CCC1=CNC(=N1)CN Z2803405872 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.21 CCC1=CSC(=N1)NC Z1037583482 [1,1,0,0,0,0|1,0,0]=3 347 B9R1.21 CCC1=NC(=CN1)CN Z2900188239 [1,1,0,0,0,0|1,0,0]=3 348 B9R1.21 CCC1=NC(=CS1)C=O Z728138492 [1,1,0,0,0,0|0,0,1]=3 349 B9R1.21 CCC1=NC(=CS1)CN Z336081000 [1,1,0,0,0,0|0,0,0]=2 350 B9R1.21 CCC1=NC(=CS1)CO Z336080998 [1,1,0,0,0,0|0,0,0]=2 351 B9R1.21 CCC1=NC(=NN1)CN Z2216711544 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.21 CCC1=NC(=NN1)CO Z1649677759 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.21 CCC1=NNC(=N1)CC Z802557220 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.21 CCC1=NOC(=N1)CCl Z239089558 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.21 CCC1=NOC(=N1)CN Z1650032465 [1,1,0,0,0,0|2,0,0]=4 356 B9R1.21 CCN1N=CC(=N1)CO Z1897049017 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.21 CNC1=NC(=CS1)CN Z1266854849 [1,1,0,0,0,0|1,0,0]=3 358 B9R1.21 COC1=NC(=CS1)C=O Z1216842200 [1,1,0,0,0,0|1,0,1]=4 359 B9R1.21 CSC1=NSC(=N1)SC Z319214998 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.21 N#CC1=CSC(=N1)CN Z2936512641 [1,1,0,0,0,0|1,0,1]=4 361 B9R1.21 NCC1=NC(=CS1)CO Z1742055052 [1,1,0,0,0,0|1,0,0]=3 362 B9R1.21 O=CC1=NC(=CS1)CO Z1216838514 [1,1,0,0,0,0|1,0,1]=4 363 B9R1.22 CC1=CN(C(=N1)CO)C Z1198313368 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.22 CCC1=C(NC(=N1)C)C Z4762770638 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.22 CCC1=NN(C=C1N)C Z1982493906 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.22 CCN1N=C(C=C1N)C Z802540754 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.23 CC1=C(NC(=N1)CO)C Z1172334787 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.23 CC1=C(OC(=N1)CN)C Z661694000 [1,1,0,0,0,0|1,1,0]=4 369 B9R1.23 CC1=C(OC(=N1)CO)C Z1374898967 [1,1,0,0,0,0|1,1,0]=4 370 B9R1.23 CC1=C(SC(=C1)CN)C Z1258578420 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.23 CC1=C(SC(=N1)C=O)Br Z1269205860 [1,1,0,0,0,0|1,0,1]=4 372 B9R1.23 CC1=C(SC(=N1)C=O)C Z1037606538 [1,1,0,0,0,0|1,0,1]=4 373 B9R1.23 CC1=C(SC(=N1)CN)C Z803066590 [1,1,0,0,0,0|1,0,0]=3 374 B9R1.23 CC1=C(SC(=N1)CO)C Z1037609712 [1,1,0,0,0,0|1,0,0]=3 375 B9R1.23 CCC1=NC(=C(S1)N)C Z1762997381 [1,1,0,0,0,0|0,0,0]=2 376 B9R1.23 CCC1=NN(C(=C1)N)C Z385401436 [1,1,0,0,0,0|2,0,0]=4 377 B9R1.23 CCC1=NN(C(=N1)N)C Z995040956 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.23 CCC1=NN(C(=O)C1)C Z50146895 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.23 CCN1C=C(C(=N1)C)N Z2106593745 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.11 CC(C#N)C1=CC=CS1 Z803101384 [1,1,0,0,0,0|1,0,1]=4 381 B9R1.11 CC(C#N)C1=NC=CS1 Z1255451210 [1,1,0,0,0,0|0,0,1]=3 382 B9R1.11 CC(CN)C1=CC=CS1 Z803101386 [1,1,0,0,0,0|1,0,0]=3 383 B9R1.11 CC(CN)C1=NC=CN1 Z3205686355 [1,1,0,0,0,0|1,0,0]=3 384 B9R1.11 CC(CN)C1=NC=CS1 Z994266314 [1,1,0,0,0,0|0,0,0]=2 385 B9R1.11 CC(CN)C1=NOC=N1 Z2899612303 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.11 CCC(N)C1=CC=CS1 Z744593088 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.11 CCC(N)C1=NC=CN1 Z1723549294 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.11 CCC(N)C1=NC=CS1 Z803082570 [1,1,0,0,0,0|1,0,0]=3 389 B9R1.11 CCC(O)C1=NC=CN1 Z1889917109 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.11 CNC(C)C1=CC=CS1 Z57206120 [1,1,0,0,0,0|1,0,0]=3 391 B9R1.11 CNC(C)C1=NC=CS1 Z4945980708 [1,1,0,0,0,0|0,0,0]=2 392 B9R1.11 CNC(C)C1=NOC=N1 Z5017250727 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.11 COC(=O)C1=NC=CS1 Z1198724057 [1,1,0,0,0,0|1,0,1]=4 394 B9R1.19 CC(C)(C)C1=NC=CN1 Z1201628702 [1,1,0,0,0,0|1,0,0]=3 395 B9R1.19 CC(C)(C)C1=NC=CS1 Z1255400238 [1,1,0,0,0,0|0,0,0]=2 396 B9R1.19 CC(C)(C)C1=NN=CN1 Z2130641278 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.19 CC(C)(C)C1=NNC=C1 Z815437764 [1,1,0,0,0,0|2,0,0]=4 398 B9R1.19 CC(C)(C)N1C=CC=N1 Z431509900 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.19 CC(C)(N)C1=CC=CS1 Z756110048 [1,1,0,0,0,0|1,0,0]=3 400 B9R1.19 CC(C)(N)C1=NC=CS1 Z425836686 [1,1,0,0,0,0|0,0,0]=2 401 B9R1.19 CC(C)(O)C1=CC=CS1 Z756109948 [1,1,0,0,0,0|1,0,0]=3 402 B9R1.19 CC(C)(O)C1=NC=CN1 Z4965468412 [1,1,0,0,0,0|1,0,0]=3 403 B9R1.19 CC(C)(O)C1=NNC=C1 Z3271394109 [1,1,0,0,0,0|2,0,0]=4 404 B9R1.19 CS(=O)(=O)C1=NC=CS1 Z847057140 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.41 CC(C)C1=C(C=CS1)N Z4702454044 [1,1,0,0,0,0|1,0,0]=3 406 B9R1.41 CC(C)C1=C(N=CS1)N Z2146513878 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.41 CC(C)C1=NC=CN1C Z1198309810 [1,1,0,0,0,0|1,0,0]=3 408 B9R1.41 CC(C)C1=NN=CN1C Z992282676 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.41 CC(C)C1=NNC=C1N Z2734283894 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.41 CC(C)N1N=CC=C1N Z55928891 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.41 CC(N)C1=NC=CN1C Z2581825158 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.41 CC(O)C1=NC=CN1C Z1183454575 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.41 CC1=C(SC=C1)C(C)O Z837065414 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.3 CC(C)C1=CC=C(C=C1)CN Z54845985 [0,1,0,0,0,1|2,0,0]=4 415 B11R1.3 CC(C)C1=CC=C(C=C1)CO Z56347221 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.3 CC(C)C1=CN=C(C=C1)C#N Z1255468507 [0,1,0,0,0,1|1,0,1]=4 417 B11R1.3 CC(C)C1=CN=C(C=C1)CN Z5003080135 [0,1,0,0,0,1|1,0,0]=3 418 B11R1.3 CC(C)C1=NC=C(C=C1)C#N Z1255453358 [0,1,0,0,0,1|1,0,1]=4 419 B11R1.3 CC(C)C1=NC=C(C=C1)C=O Z1255402249 [0,1,0,0,0,1|1,0,1]=4 420 B11R1.3 CC(C)C1=NC=C(C=N1)C=O Z274575086 [0,1,0,0,0,1|1,0,1]=4 421 B11R1.3 CN(C)C1=NC=C(C=C1)CN Z270758784 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.3 CN(C)C1=NC=C(C=N1)CN Z1688198414 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.3 CN(C)C1=NC=C(N=C1)CN Z3304108429 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.3 CNC1=CC=C(C=C1)C(C)C Z1431904364 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.3 COC1=NC=C(C=C1)C(C)N Z3083124760 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.19 CC(C)(C)C1=NC=C(C=C1)N Z2935931505 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.19 CC(C)(C)C1=NC=C(C=N1)N Z381402552 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.19 CC(C)(C)C1=NC=C(N=C1)Br Z1269227455 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.19 CC(C)(C)C1=NC=C(N=C1)Cl Z1255495806 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.19 CC(C)(C)C1=NC=C(N=C1)O Z1255400224 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.19 CC(C)(C)C1=NN=C(C=C1)Cl Z432063386 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.19 CC(C)(C)C1=NN=C(C=C1)N Z960884592 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.19 CC(C)(C)C1=NNC(=O)C=C1 Z432063054 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.19 CC(C)(N)C1=NC=C(C=N1)I Z5038093069 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.19 CC(C)(O)C1=NC=C(N=C1)Cl Z3300783614 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.19 CC(C)(O)C1=NC=C(N=C1)N Z1262689774 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.19 CC(C)(O)C1=NN=C(C=C1)Cl Z1617996188 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.19 CC1=NC=C(C=C1)C(C)(C)O Z1095367298 [0,1,0,0,0,1|1,0,0]=3 439 B11R1.21 CC(C)C1=NC(=C(C=N1)Br)Cl Z1269182099 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.21 CC1=C(C=C(C=C1)C(C)C)O Z104496566 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.22 CC1=CC=C(C=C1)C(C)CN Z415654970 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.22 CCC(C)C1=NC=C(C=N1)N Z975823596 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.22 CNC(C)C1=CC=C(C=C1)C Z239628686 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.22 CNC(C)C1=NC=C(C=C1)Cl Z1392162358 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O Z57127464 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.166 CC1=CC(=C(N=N1)N(C)C)N Z2353508696 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.39 CC1=CSC(=N1)NC(=O)CCl Z2651952220 [0,1,0,0,0,1|1,0,1]=4 448 B11R1.39 CCC(=O)NC1=NC(=CS1)C Z30820160 [0,1,0,0,0,1|1,0,1]=4 449 B11R1.39 COC(=O)CC1=NC(=CS1)C Z104378194 [0,1,0,0,0,1|1,0,1]=4 450 B11R1.43 CC(=O)NC1=NC(=CS1)CCl Z57012191 [0,1,0,0,0,1|1,0,1]=4 451 B11R1.43 CC(C)CC1=NC=C(S1)CN Z802592994 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.43 CC(C)CC1=NOC(=N1)CCl Z238876426 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.43 CC(C)CN1C=CC(=N1)CN Z3486846244 [0,1,0,0,0,1|2,0,0]=4 454 B11R1.43 CN(C)CC1=NC(=CS1)C=O Z802847110 [0,1,0,0,0,1|1,0,1]=4 455 B11R1.43 CN(C)CC1=NC(=CS1)CO Z362770690 [0,1,0,0,0,1|1,0,0]=3 456 B11R1.80 CC(C)CC1=NN(C(=C1)N)C Z385401434 [0,1,0,0,0,1|2,0,0]=4 457 B11R1.314 CC1=NOC(=N1)C(N)C(C)C Z357938722 [0,1,0,0,0,1|1,1,0]=4 458 B11R1.23 CCC(C)C1=NC(=CC=N1)Cl Z975823852 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.23 CCC(N)C1=NC(=CC=C1)C Z4457910024 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.74 CC(C)C1=NC(=CC(=N1)Cl)Cl Z1140391407 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.74 CC(C)C1=NC(=NC(=C1)Cl)Cl Z1238571439 [0,1,0,0,0,1|2,0,0]=4 462 B11R1.74 CC1=CC(=CC(=C1)O)C(C)C Z104479096 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.74 CC1=CC(=NC(=N1)Cl)C(C)C Z1302517247 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.74 CC1=CC(=NC(=N1)O)C(C)C Z1652722060 [0,1,0,0,0,1|2,0,0]=4 465 B11R1.74 CC1=NC(=CC(=N1)C(C)C)Cl Z431784072 [0,1,0,0,0,1|1,0,0]=3 466 B11R1.74 CC1=NC(=NC(=C1)Br)C(C)C Z425848986 [0,1,0,0,0,1|1,0,0]=3 467 B11R1.74 CC1=NC(=NC(=C1)Cl)C(C)C Z119967266 [0,1,0,0,0,1|1,0,0]=3 468 B11R1.74 CC1=NC(=NC(=C1)Cl)C(C)Cl Z1255398477 [0,1,0,0,0,1|2,0,0]=4 469 B11R1.74 CC1=NC(=NC(=C1)N)C(C)C Z234896993 [0,1,0,0,0,1|1,0,0]=3 470 B11R1.74 CC1=NC(=NC(=C1)O)C(C)C Z203045130 [0,1,0,0,0,1|1,0,0]=3 471 B11R1.74 CC1=NC(=NC(=C1)S)C(C)C Z119967270 [0,1,0,0,0,1|1,0,0]=3 472 B11R1.74 CC1=NC(=NC(=N1)N)C(C)C Z1154378300 [0,1,0,0,0,1|1,0,0]=3 473 B11R1.74 CC1=NC(=NC(=N1)N)N(C)C Z188924614 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.155 CC(C)(C)C1=NC(=CC=C1)O Z1255380255 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.155 CC(C)(C)C1=NC(=CC=N1)Br Z1269224391 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.155 CC(C)(C)C1=NC(=CC=N1)Cl Z445153134 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.155 CC(C)(C)C1=NC(=CC=N1)O Z1262246110 [0,1,0,0,0,1|2,0,0]=4 478 B11R1.155 CC(C)(C)C1=NC(=NC=C1)Br Z2848695628 [0,1,0,0,0,1|2,0,0]=4 479 B11R1.155 CC(C)(C)C1=NC(=NC=C1)Cl Z1255400259 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.155 CC(C)(C)C1=NC(=NC=C1)N Z991536692 [0,1,0,0,0,1|2,0,0]=4 481 B11R1.155 CC(C)(C)C1=NC(=NC=C1)S Z1255404030 [0,1,0,0,0,1|2,0,0]=4 482 B11R1.155 CC(C)(C)C1=NC(=NC=N1)Cl Z1618121525 [0,1,0,0,0,1|2,0,0]=4 483 B11R1.155 CC(C)(C)C1=NC(=O)NC=C1 Z2211231227 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.155 CC(C)(N)C1=NC(=O)C=CN1 Z1258850825 [0,1,0,0,0,1|2,0,0]=4 485 B11R1.155 CC1=NC(=NC=C1)C(C)(C)N Z3325091675 [0,1,0,0,0,1|1,0,0]=3 486 B11R1.159 CC1=CC=CC(=C1N)C(C)C Z3676142304 [0,1,0,0,0,1|2,0,0]=4 487 B11R1.167 CC1=NC(=C(C=C1)N)N(C)C Z1255463033 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.266 CC(C)C1=CC(=NC=C1)CN Z4968190433 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.266 CC(C)C1=NC(=CC=C1)C#N Z1255406175 [0,1,0,0,0,1|1,0,1]=4 490 B11R1.266 CC(C)C1=NC(=CC=C1)CO Z1216820960 [0,1,0,0,0,1|1,0,0]=3 491 B11R1.266 CC(C)C1=NC=CC(=C1)CN Z3396976035 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.266 CN(C)C1=NC(=CC=C1)CO Z969095760 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.266 CNC1=CC(=CC=C1)C(C)C Z362639302 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.266 COC1=NC(=CC=C1)C(C)O Z1216820543 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.266 COC1=NC(=NC=C1)N(C)C Z281802048 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.6 CC1=CC=C(O1)C(C)(O)CN Z1251333047 [0,2,0,0,0,0|2,0,0]=4 497 B11R1.6 CC1=NC(=NN1)C(C)(C)CN Z4253113742 [0,2,0,0,0,0|2,0,0]=4 498 B11R1.6 CC1=NOC(=N1)C(C)(C)CN Z1473029627 [0,2,0,0,0,0|1,1,0]=4 499 B11R1.6 CCC(C)(N)C1=NC(=CS1)C Z803083808 [0,2,0,0,0,0|0,0,0]=2 500 B11R1.6 CCC(C)(N)C1=NC(=NO1)C Z4497040219 [0,2,0,0,0,0|1,1,0]=4 501 B11R1.6 CCC(C)(N)C1=NC=C(S1)C Z4500940593 [0,2,0,0,0,0|2,0,0]=4 502 B11R1.11 CCN(CC)C1=NC(=CS1)C Z56347335 [0,2,0,0,0,0|1,0,0]=3 503 B11R1.44 CCC(C)C1=CSC(=N1)NC Z1037583236 [0,2,0,0,0,0|2,0,0]=4 504 B11R1.44 COC(C)C1=NC(=CS1)CCl Z844639060 [0,2,0,0,0,0|0,0,0]=2 505 B11R1.44 COC(C)C1=NC(=CS1)CN Z1335092034 [0,2,0,0,0,0|0,0,0]=2 506 B11R1.45 CC(C)(C)C1=CC(=CS1)C=O Z1511755849 [0,2,0,0,0,0|1,0,1]=4 507 B11R1.45 CC(C)(C)C1=CC(=CS1)CN Z2681252521 [0,2,0,0,0,0|1,0,0]=3 508 B11R1.45 CC(C)(C)C1=CC=C(S1)CN Z2752226128 [0,2,0,0,0,0|2,0,0]=4 509 B11R1.45 CC(C)(C)C1=CNC(=N1)CO Z3024701978 [0,2,0,0,0,0|2,0,0]=4 510 B11R1.45 CC(C)(C)C1=CSC(=N1)CN Z431535594 [0,2,0,0,0,0|2,0,0]=4 511 B11R1.45 CC(C)(C)C1=NC(=CN1)C=O Z1194386202 [0,2,0,0,0,0|1,0,1]=4 512 B11R1.45 CC(C)(C)C1=NC(=CN1)CO Z3230660747 [0,2,0,0,0,0|1,0,0]=3 513 B11R1.45 CC(C)(C)C1=NC(=CS1)C=O Z336081012 [0,2,0,0,0,0|0,0,1]=3 514 B11R1.45 CC(C)(C)C1=NC(=CS1)CN Z336081014 [0,2,0,0,0,0|0,0,0]=2 515 B11R1.45 CC(C)(C)C1=NC(=NN1)CN Z2261980806 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.45 CC(C)(C)C1=NC(=NN1)CO Z2216303150 [0,2,0,0,0,0|2,0,0]=4 517 B11R1.45 CC(C)(C)C1=NC(=NO1)CN Z1269638568 [0,2,0,0,0,0|1,1,0]=4 518 B11R1.45 CC(C)(C)C1=NC(=NO1)CO Z431952570 [0,2,0,0,0,0|1,1,0]=4 519 B11R1.45 CC(C)(C)C1=NOC(=N1)CN Z1473036083 [0,2,0,0,0,0|2,0,0]=4 520 B11R1.45 CC(C)(C)C1=NOC(=N1)CO Z431952804 [0,2,0,0,0,0|2,0,0]=4 521 B11R1.45 CC(C)(C)C1=NSC(=N1)CN Z5030088716 [0,2,0,0,0,0|2,0,0]=4 522 B11R1.45 CC(C)(C)C1=NSC(=N1)CO Z1898576113 [0,2,0,0,0,0|2,0,0]=4 523 B11R1.45 CC(C)(O)C1=NNC(=N1)CN Z3278754574 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.45 CCC1=NC(=NO1)C(C)(C)N Z1998636461 [0,2,0,0,0,0|2,0,0]=4 525 B11R1.45 NCC1=CSC(=N1)C(F)(F)F Z2681251893 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.48 CC(C)C1=NN(C(=C1)C=O)C Z1504683288 [0,2,0,0,0,0|2,0,0]=4 527 B11R1.48 CC(C)C1=NN(C(=C1)CN)C Z5225140557 [0,2,0,0,0,0|2,0,0]=4 528 B11R1.48 CC1=C(OC(=N1)C(C)C)CO Z2144385508 [0,2,0,0,0,0|0,1,0]=3 529 B11R1.48 CC1=C(SC(=N1)N(C)C)C=O Z990954408 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.48 CC1=NN(C=C1C=O)C(C)C Z802540040 [0,2,0,0,0,0|2,0,0]=4 531 B11R1.48 CCC1=C(C=C(S1)C(C)N)C Z1493639720 [0,2,0,0,0,0|2,0,0]=4 532 B11R1.48 CN(C)C1=NC(=C(S1)C=O)Cl Z168874982 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.48 COC1=NN(C=C1N)C(C)C Z2106609698 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.50 CC1=C(N=C(S1)CN)C(C)C Z608350040 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.124 CC(C)C1=CSC(=N1)CC#N Z361894428 [0,2,0,0,0,0|2,0,0]=4 536 B11R1.124 CC(C)C1=NC(=CS1)CCN Z803153238 [0,2,0,0,0,0|0,0,0]=2 537 B11R1.124 CC(C)C1=NC(=NN1)CC#N Z1259335791 [0,2,0,0,0,0|2,0,0]=4 538 B11R1.124 CC(C)C1=NC(=NN1)CCN Z3690628357 [0,2,0,0,0,0|2,0,0]=4 539 B11R1.124 CC(C)C1=NOC(=N1)CCN Z1266854940 [0,2,0,0,0,0|2,0,0]=4 540 B11R1.124 CC(C)N1C=CC(=N1)CCN Z1170387578 [0,2,0,0,0,0|2,0,0]=4 541 B11R1.124 CN(C)C1=NC(=CS1)CC#N Z235348051 [0,2,0,0,0,0|1,0,0]=3 542 B11R1.124 CN(C)C1=NC(=CS1)CCN Z969131912 [0,2,0,0,0,0|1,0,0]=3 543 B11R1.124 CSCC1=NN(C=C1)C(C)C Z1219793379 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.175 CC(=O)C1=COC(=N1)C(C)C Z1946004504 [0,2,0,0,0,0|0,1,0]=3 545 B11R1.175 CC(=O)C1=CSC(=N1)C(C)C Z1235959315 [0,2,0,0,0,0|0,0,0]=2 546 B11R1.175 CC(C)C1=NC(=CN1)C(=O)O Z1259335782 [0,2,0,0,0,0|1,0,1]=4 547 B11R1.175 CC(C)C1=NC(=CO1)C(=O)O Z969117296 [0,2,0,0,0,0|0,1,1]=4 548 B11R1.175 CC(C)C1=NC(=CS1)C(=O)O Z381402826 [0,2,0,0,0,0|0,0,1]=3 549 B11R1.175 CC(C)C1=NC(=CS1)C(C)N Z1267881756 [0,2,0,0,0,0|0,0,0]=2 550 B11R1.175 CC(C)C1=NC(=NN1)C(C)N Z1695906811 [0,2,0,0,0,0|2,0,0]=4 551 B11R1.175 CC(C)C1=NOC(=N1)C(C)Cl Z285575590 [0,2,0,0,0,0|2,0,0]=4 552 B11R1.79 CC1=C(SC(=N1)C(C)(C)N)C Z803083652 [0,2,0,0,0,0|0,0,0]=2 553 B11R1.79 CN1N=C(C=C1N)C(C)(C)C Z90123306 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.79 CN1N=C(CC1=O)C(C)(C)C Z359504034 [0,2,0,0,0,0|2,0,0]=4 555 B11R1.79 CN1N=C(N=C1N)C(C)(C)C Z997612682 [0,2,0,0,0,0|2,0,0]=4 556 B11R1.646 CC1=NN(C(=C1)N)C(C)(C)C Z56822975 [0,2,0,0,0,0|2,0,0]=4 557 B11R1.672 CC1=NN(C(=C1N)C)C(C)C Z332376792 [0,2,0,0,0,0|2,0,0]=4 558 B11R1.49 CC(C)C1=NN(C=C1C=O)C Z381386542 [0,2,0,0,0,0|2,0,0]=4 559 B11R1.49 CC(C)C1=NN(C=C1CN)C Z446021218 [0,2,0,0,0,0|2,0,0]=4 560 B9R1.6 CC(C)C1=NC=CC=C1 Z1198148831 [0,0,1,1,0,0|1,0,1]=4 561 B9R2.2 C1=CC(=NN1)C2CC2 Z336080424 [1,0,0,1,0,0|2,0,0]=4 562 B9R2.2 C1=NN=C(N1)C2CC2 Z2130641619 [1,0,0,1,0,0|2,0,0]=4 563 B11R2.34 BrC1=CN=C(C=C1)C2CC2 Z2943484009 [0,0,0,1,0,1|2,0,0]=4 564 B11R2.34 BrC1=NC=C(N=C1)C2CC2 Z1198319306 [0,0,0,1,0,1|2,0,0]=4 565 B11R2.34 CC1=NC=C(C=C1)C2CO2 Z1504684436 [0,0,0,1,0,1|2,0,0]=4 566 B11R2.34 ClC1=NN=C(C=C1)C2CC2 Z1013743432 [0,0,0,1,0,1|2,0,0]=4 567 B11R2.34 NC1=CN=C(N=C1)C2CC2 Z381402574 [0,0,0,1,0,1|2,0,0]=4 568 B11R2.34 NC1=NN=C(C=C1)C2CC2 Z1013744036 [0,0,0,1,0,1|2,0,0]=4 569 B11R2.34 O=C1C=CC(=NN1)C2CC2 Z1013742704 [0,0,0,1,0,1|2,0,0]=4 570 B11R2.34 OC1=CN=C(N=C1)C2CC2 Z1255433581 [0,0,0,1,0,1|2,0,0]=4 571 B11R2.351 CC1=CSC(=N1)NC2CC2 Z73485928 [0,0,0,1,0,1|0,0,0]=2 572 B11R2.351 ClC1=CSC(=N1)NC2CC2 Z1581818109 [0,0,0,1,0,1|1,0,0]=3 573 B11R2.351 O=C1CSC(=N1)NC2CC2 Z1262570441 [0,0,0,1,0,1|1,0,1]=4 574 B11R2.35 ClC1=NC(=CC=N1)C2CC2 Z1198234901 [0,0,0,1,0,1|2,0,0]=4 575 B11R2.35 ClC1=NC(=NC=C1)C2CC2 Z445153110 [0,0,0,1,0,1|2,0,0]=4 576 B11R2.35 NC1=NC(=CC=N1)C2CC2 Z991536704 [0,0,0,1,0,1|2,0,0]=4 577 B11R2.35 NC1=NC(=NC=C1)C2CC2 Z856211350 [0,0,0,1,0,1|2,0,0]=4 578 B11R2.35 O=C1N=C(C=CN1)C2CC2 Z1203747698 [0,0,0,1,0,1|2,0,0]=4 579 B11R2.35 OC1=NC(=NC=C1)C2CC2 Z1259335801 [0,0,0,1,0,1|2,0,0]=4 580 B11R2.352 CC1=NC(=NN1)C2CCC2 Z1483956695 [0,1,0,1,0,0|2,0,0]=4 581 B11R2.352 CC1=NC(=NO1)C2CNC2 Z1262615843 [0,1,0,1,0,0|2,0,0]=4 582 B11R2.352 CC1=NOC(=N1)C2CNC2 Z1198343468 [0,1,0,1,0,0|1,1,0]=4 583 B11R2.353 CC1=CN=C(O1)C2(CC2)N Z5087793397 [0,1,0,1,0,0|2,0,0]=4 584 B11R2.353 CC1=NOC(=N1)C2(CC2)N Z1473029556 [0,1,0,1,0,0|1,1,0]=4 585 B11R2.353 CN1C=CC(=N1)C2(CC2)N Z4500307445 [0,1,0,1,0,0|2,0,0]=4 586 B11R2.21 NCC1=CN=C(S1)C2CC2 Z5017251385 [0,1,0,1,0,0|2,0,0]=4 587 B11R2.21 NCC1=NC(=CS1)C2CC2 Z1172087767 [0,1,0,1,0,0|2,0,0]=4 588 B11R2.21 NCC1=NC(=NN1)C2CC2 Z2234185631 [0,1,0,1,0,0|2,0,0]=4 589 B11R2.21 NCC1=NC(=NO1)C2CC2 Z1259341030 [0,1,0,1,0,0|2,0,0]=4 590 B11R2.21 NCC1=NOC(=N1)C2CC2 Z1551475955 [0,1,0,1,0,0|1,1,0]=4 591 B11R2.21 O=CC1=CNC(=N1)C2CC2 Z1194386307 [0,1,0,1,0,0|1,0,1]=4 592 B11R2.21 O=CC1=CSC(=C1)C2CC2 Z2681252527 [0,1,0,1,0,0|1,0,1]=4 593 B11R2.21 O=CC1=CSC(=N1)C2CC2 Z728138636 [0,1,0,1,0,0|0,0,1]=3 594 B11R2.21 OCC1=CNC(=N1)C2CC2 Z1094714412 [0,1,0,1,0,0|1,0,0]=3 595 B11R2.21 OCC1=NC(=CS1)C2CC2 Z1172090882 [0,1,0,1,0,0|2,0,0]=4 596 B11R2.21 OCC1=NC(=NN1)C2CC2 Z803078212 [0,1,0,1,0,0|2,0,0]=4 597 B11R2.355 CC1=NN(C=C1N)C2CC2 Z5397039580 [0,1,0,1,0,0|2,0,0]=4 598 B11R2.355 CN1N=C(C=C1N)C2CC2 Z336079588 [0,1,0,1,0,0|2,0,0]=4 599 B11R2.355 CN1N=C(N=C1N)C2CC2 Z997608130 [0,1,0,1,0,0|2,0,0]=4 600 B11R2.356 CC1=NN(C(=C1)O)C2CC2 Z1813081150 [0,1,0,1,0,0|2,0,0]=4 601 B11R2.356 CN1C=C(C(=N1)C2CC2)N Z3207878795 [0,1,0,1,0,0|2,0,0]=4 602 B7R0.16 C=C(C)C(=O)C(C)C Z1313486232 [0,0,1,0,1,0|0,1,0]=3 603 B9R1.2 CC1=NC(=CC=C1)CN Z291234028 [1,0,0,0,0,1|2,0,0]=4 604 B9R1.2 CC1=NC(=CC=C1)CO Z397587486 [1,0,0,0,0,1|2,0,0]=4 605 B9R1.2 CC1=NC(=CC=N1)CO Z1013685034 [1,0,0,0,0,1|2,0,0]=4 606 B9R1.2 CC1=NC(=NC=C1)CN Z2372278985 [1,0,0,0,0,1|2,0,0]=4 607 B9R1.2 CCC1=NC(=CC=C1)C Z1255485781 [1,0,0,0,0,1|1,0,0]=3 608 B9R1.2 CCC1=NC(=CC=N1)Cl Z445153086 [1,0,0,0,0,1|2,0,0]=4 609 B9R1.2 CCC1=NC(=NC=C1)Cl Z1198279743 [1,0,0,0,0,1|2,0,0]=4 610 B9R1.2 CCC1=NC(=NC=C1)N Z1203579436 [1,0,0,0,0,1|2,0,0]=4 611 B9R1.2 CNC1=NC(=CC=C1)C Z600403388 [1,0,0,0,0,1|2,0,0]=4 612 B9R1.2 CNC1=NC(=NC=C1)C Z960796268 [1,0,0,0,0,1|2,0,0]=4 613 B9R1.2 CSC1=NC(=CC=N1)C Z275763960 [1,0,0,0,0,1|2,0,0]=4 614 B9R1.2 CSC1=NC(=CN=N1)C Z1255426895 [1,0,0,0,0,1|2,0,0]=4 615 B9R1.13 CC(=O)NC1=NC=CS1 Z28173610 [1,0,0,0,0,1|1,0,1]=4 616 B9R1.13 CC(C)CN1C=CC=N1 Z431509688 [1,0,0,0,0,1|2,0,0]=4 617 B9R1.13 CC(C)SC1=NC=CN1 Z1203735020 [1,0,0,0,0,1|1,0,0]=3 618 B9R1.13 CC(N)CC1=CC=CS1 Z1160899518 [1,0,0,0,0,1|2,0,0]=4 619 B9R1.13 CN(C)NC1=NC=CS1 Z1562177195 [1,0,0,0,0,1|1,0,0]=3 620 B11R1.20 CC(C)CC1=NC=C(C=C1)Br Z1269179231 [0,0,0,0,0,2|2,0,0]=4 621 B11R1.20 CC(C)CC1=NC=C(C=N1)N Z381402572 [0,0,0,0,0,2|2,0,0]=4 622 B11R1.20 CC(C)NC1=NC=C(C=C1)Br Z359297038 [0,0,0,0,0,2|2,0,0]=4 623 B11R1.20 CC(C)NC1=NC=C(C=N1)N Z760033000 [0,0,0,0,0,2|2,0,0]=4 624 B11R1.20 CC(C)OC1=NC=C(C=C1)Br Z808608768 [0,0,0,0,0,2|2,0,0]=4 625 B11R1.20 CC(C)OC1=NN=C(C=C1)N Z1262646098 [0,0,0,0,0,2|2,0,0]=4 626 B11R1.20 CC1=CC=C(C=C1)NC(C)C Z992717194 [0,0,0,0,0,2|2,0,0]=4 627 B11R1.20 CC1=CC=C(C=C1)OC(C)C Z53834229 [0,0,0,0,0,2|2,0,0]=4 628 B11R1.75 CC1=CC=C(O1)CNC(C)C Z600428342 [0,0,0,0,0,2|2,0,0]=4 629 B11R1.75 CC1=CC=C(S1)CNC(C)C Z90502245 [0,0,0,0,0,2|2,0,0]=4 630 B11R1.75 CC1=CSC(=N1)/N=C/N(C)C Z99601688 [0,0,0,0,0,2|1,0,0]=3 631 B11R1.75 CC1=CSC(=N1)CCN(C)C Z1413780102 [0,0,0,0,0,2|1,0,0]=3