0 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,0,0,0,0,0|0,0,0]=0 1 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 CC(CN)C(=O)O Z431542704 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.3 CC(CO)C(=O)O Z431541400 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.3 CC(O)C(N)CN Z1250080890 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.3 CCC(C)C(=O)N Z270978420 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.3 CCC(C)C(=O)O Z237374874 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.3 CCC(N)C(=O)O Z104495144 [0,0,0,0,0,0|0,0,2]=2 8 B6R0.3 CCC(O)C(=O)N Z965049008 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.3 CCC(O)C(=O)O Z246073650 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,0,0,0,0,0|0,0,2]=2 11 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,0,0,0,0,0|0,0,2]=2 13 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.3 COC(C)C(=O)C Z447898138 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.3 COC(C)C(=O)N Z223645218 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.3 COC(C)C(=O)O Z316258898 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.3 CSC(C)C(=O)O Z149191750 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.3 N#CC(Br)C(=O)N Z431988688 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.3 NC(CO)C(=O)O Z57396986 [0,0,0,0,0,0|1,0,1]=2 21 B6R0.3 NC(CS)C(=O)O Z966690626 [0,0,0,0,0,0|1,0,1]=2 22 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,0,0,0,0,0|1,0,1]=2 23 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,0,0,0,0,0|1,0,1]=2 27 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,0,0,0,0,0|1,0,1]=2 28 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,0,0,0,0,0|1,0,1]=2 29 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.1 C#CCC(=O)O Z295890060 [1,0,0,0,0,0|0,0,2]=3 31 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|0,0,2]=3 32 B5R0.1 C=CCC(C)N Z1269638561 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|0,0,2]=3 36 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|1,0,1]=3 38 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 N#CCC(=O)N Z56896153 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|1,0,1]=3 43 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.1 NCCC(=O)N Z415728050 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,0,0,0,0|1,0,1]=3 48 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|1,0,1]=3 49 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.3 C#CC(N)CO Z2235790715 [1,0,0,0,0,0|0,0,3]=4 52 B5R0.3 C=CC(N)CO Z2146514374 [1,0,0,0,0,0|0,0,1]=2 53 B5R0.3 CCC(N)CO Z104474862 [1,0,0,0,0,0|0,0,3]=4 54 B5R0.3 CC[C@@H](N)CO Z1203162359 [1,0,0,0,0,0|0,0,3]=4 55 B5R0.3 CC[C@H](N)CO Z1203162358 [1,0,0,0,0,0|0,0,3]=4 56 B5R0.3 N#CC(N)CO Z2301438409 [1,0,0,0,0,0|1,0,2]=4 57 B5R0.3 NC(CO)CO Z1203577940 [1,0,0,0,0,0|1,0,2]=4 58 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.5 CC(=O)C(=O)O Z104495240 [1,0,0,0,0,0|1,0,2]=4 60 B5R0.5 CC(=O)C(C)N Z1263529525 [1,0,0,0,0,0|1,0,1]=3 61 B5R0.5 CC(Br)C(=O)O Z57127555 [1,0,0,0,0,0|1,0,1]=3 62 B5R0.5 CC(C)C(=O)N Z57046209 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.5 CC(C)C(=O)O Z104473380 [1,0,0,0,0,0|1,0,1]=3 64 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.5 CC(N)C(=O)N Z54749436 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.5 CC(N)C(=O)O Z57396987 [1,0,0,0,0,0|0,0,1]=2 68 B5R0.5 CC(O)C(=O)N Z57206008 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.5 CC(S)C(=O)O Z104477082 [1,0,0,0,0,0|1,0,1]=3 70 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,0,0,0,0,0|0,0,1]=2 71 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,0,0,0,0,0|1,0,1]=3 72 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,0,0,0,0,0|0,0,1]=2 73 B5R0.5 NC(=O)C(F)F Z33546481 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.5 O=C(O)C(=O)O Z1741978903 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,0,0,0,0,0|2,0,0]=3 76 B5R0.5 O=C(O)C(F)F Z104474070 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [0,1,0,0,0,0|1,0,2]=4 78 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,1,0,0,0,0|0,0,0]=1 80 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,1,0,0,0,0|0,0,0]=1 81 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,1,0,0,0,0|1,0,2]=4 82 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,1,0,0,0,0|2,0,0]=3 83 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,1,0,0,0,0|1,0,2]=4 84 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,1,0,0,0,0|0,0,2]=3 85 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,1,0,0,0,0|0,0,2]=3 86 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,1,0,0,0,0|0,0,2]=3 87 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,1,0,0,0,0|1,0,2]=4 88 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,1,0,0,0,0|1,0,2]=4 89 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,1,0,0,0,0|1,0,2]=4 90 B7R0.5 COCC(C)C(=O)O Z431541094 [0,1,0,0,0,0|1,0,2]=4 91 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,1,0,0,0,0|0,0,2]=3 92 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,1,0,0,0,0|1,0,2]=4 93 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,1,0,0,0,0|0,0,2]=3 94 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,1,0,0,0,0|0,0,2]=3 95 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,1,0,0,0,0|0,0,2]=3 96 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,1,0,0,0,0|1,0,2]=4 97 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,1,0,0,0,0|0,0,2]=3 98 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,1,0,0,0,0|1,0,2]=4 99 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,1,0,0,0,0|0,0,2]=3 100 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,1,0,0,0,0|0,0,2]=3 101 B7R0.10 CCC(N)C(=O)NC Z1449756338 [0,1,0,0,0,0|1,0,2]=4 102 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.10 COC(=O)C(C)SC Z821313006 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,1,0,0,0,0|1,0,1]=3 106 B7R0.10 COC(=O)C(N)CO Z104479480 [0,1,0,0,0,0|1,0,1]=3 107 B7R0.10 COC(=O)C(N)CS Z56917374 [0,1,0,0,0,0|1,0,1]=3 108 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,1,0,0,0,0|1,0,1]=3 110 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.13 C=CC(C)(O)C(=O)O Z1198182953 [0,1,0,0,0,0|1,0,0]=2 112 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,1,0,0,0,0|2,0,1]=4 113 B7R0.13 CC(C)(C#N)C(=O)O Z426041322 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,1,0,0,0,0|1,0,1]=3 118 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,1,0,0,0,0|1,0,1]=3 119 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,1,0,0,0,0|1,0,2]=4 121 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,1,0,0,0,0|1,0,2]=4 122 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,1,0,0,0,0|1,0,2]=4 123 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,1,0,0,0,0|0,0,2]=3 124 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,1,0,0,0,0|1,0,2]=4 125 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.13 COC(C)(C)C(=O)O Z803492148 [0,1,0,0,0,0|2,0,1]=4 127 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,1,0,0,0,0|0,0,3]=4 129 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,1,0,0,0,0|0,0,2]=3 130 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,1,0,0,0,0|1,0,2]=4 131 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,1,0,0,0,0|1,0,2]=4 132 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,1,0,0,0,0|1,0,1]=3 133 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,1,0,0,0,0|1,0,1]=3 134 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,1,0,0,0,0|1,0,1]=3 135 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,0,0,0,0|1,0,2]=4 136 B7R0.16 CC(=C(F)F)C(=O)O Z1205497572 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,0,0,0,0|1,0,1]=3 139 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,1,0,0,0,0|3,0,0]=4 140 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,1,0,0,0,0|2,0,0]=3 141 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,0,0,0,0|1,0,2]=4 142 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,0,0,0,0|1,0,2]=4 143 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,0,0,0,0|1,0,2]=4 144 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,1,0,0,0,0|1,0,2]=4 145 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,0,0,0,0|0,0,2]=3 146 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,0,0,0,0|1,0,2]=4 147 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,1,0,0,0,0|1,0,2]=4 148 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,0,0,0,0|0,0,2]=3 149 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,0,0,0,0|0,0,2]=3 150 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,0,0|1,0,2]=4 151 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,0,0|1,0,2]=4 152 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,1,0,0,0,0|2,0,1]=4 153 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,0,0|0,0,2]=3 154 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,0,0|0,0,2]=3 155 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,0,0|0,0,2]=3 157 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,1,0,0,0,0|2,0,0]=3 158 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,1,0,0,0,0|2,0,0]=3 159 B7R1.4 CC1=C(C=NO1)N Z1465461252 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.4 CN1C=CNC1=O Z1198329852 [0,0,0,1,0,0|3,0,0]=4 161 B7R1.4 CN1C=COC1=O Z2732441923 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.4 NC1=CNNC1=O Z2216303144 [0,0,0,1,0,0|2,0,1]=4 163 B7R1.4 NC1CCOC1=O Z56921763 [0,0,0,1,0,0|0,0,2]=3 164 B7R1.4 NC1CCSC1=O Z56922158 [0,0,0,1,0,0|0,1,2]=4 165 B7R1.4 NC1CONC1=O Z336087816 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.4 NN1CCOC1=O Z1198147716 [0,0,0,1,0,0|1,0,2]=4 167 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,0,0,1,0,0|0,1,2]=4 168 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,0,0,1,0,0|0,1,2]=4 170 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,0|1,0,2]=4 172 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,0|1,0,2]=4 173 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,0,1,0,0|1,0,2]=4 174 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,1,0,0|0,0,2]=3 175 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [0,0,0,1,0,0|1,0,2]=4 178 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,0,0,1,0,0|1,0,2]=4 179 B7R1.19 NC(=O)C1(CC1)N Z1415893881 [0,0,0,1,0,0|1,0,2]=4 180 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,0,0,1,0,0|0,0,2]=3 181 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,0,0,1,0,0|1,0,2]=4 182 B7R1.22 C=CC(N)C1CC1 Z3444558430 [0,0,0,1,0,0|2,0,1]=4 183 B7R0.2 C=CC(=O)NC(=O)N Z837062938 [0,0,0,0,0,1|2,0,1]=4 184 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,0,0,0,0,1|2,0,1]=4 185 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,0,0,0,0,1|1,0,2]=4 186 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,0,0,0,0,1|0,0,2]=3 187 B7R0.2 COC(C)CC(=O)O Z431536426 [0,0,0,0,0,1|2,0,1]=4 188 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,0,0,0,0,1|2,0,1]=4 189 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,0,0,0,0,1|2,0,1]=4 190 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,0,0,0,0,1|2,0,1]=4 191 B4R0.1 C#CC(=O)O Z104493798 [2,0,0,0,0,0|0,0,2]=4 192 B4R0.1 C=C(Br)CN Z600439032 [2,0,0,0,0,0|2,0,0]=4 193 B4R0.1 C=CC(=C)C Z104474660 [2,0,0,0,0,0|1,0,1]=4 194 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|0,0,0]=2 195 B4R0.1 C=CC(C)N Z1446855743 [2,0,0,0,0,0|0,0,1]=3 196 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|2,0,0]=4 197 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,0]=3 198 B4R0.1 CC(=O)NN Z58981787 [2,0,0,0,0,0|2,0,0]=4 199 B4R0.1 CC(O)CN Z104477092 [2,0,0,0,0,0|1,0,1]=4 200 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|1,0,1]=4 201 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|0,0,1]=3 202 B4R0.1 C[C@@H](N)CO Z346076140 [2,0,0,0,0,0|0,0,2]=4 203 B4R0.1 C[C@H](O)CN Z1203577967 [2,0,0,0,0,0|1,0,1]=4 204 B4R0.1 N=C(N)CN Z3798800325 [2,0,0,0,0,0|2,0,0]=4 205 B4R0.1 NC(=O)CF Z104475768 [2,0,0,0,0,0|2,0,0]=4 206 B4R0.1 NC(=O)CI Z1080376832 [2,0,0,0,0,0|2,0,0]=4 207 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|2,0,0]=4 208 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|1,0,0]=3 209 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|0,0,0]=2 210 B4R0.1 NNC(=O)N Z104473922 [2,0,0,0,0,0|2,0,0]=4 211 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|1,0,0]=3 212 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|1,0,0]=3 213 B6R0.1 C#CCC(=O)OC Z1198160347 [1,1,0,0,0,0|0,0,2]=4 214 B6R0.1 C=CCC(N)CO Z1815149150 [1,1,0,0,0,0|1,0,1]=4 215 B6R0.1 C=CCC(O)CC Z808662120 [1,1,0,0,0,0|1,0,1]=4 216 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|0,0,2]=4 217 B6R0.1 CNCC(=O)OC Z89264972 [1,1,0,0,0,0|1,0,1]=4 218 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [1,1,0,0,0,0|0,0,2]=4 219 B6R0.2 C=C(C)CC(=O)O Z295890066 [1,1,0,0,0,0|0,0,0]=2 220 B6R0.2 CC(=CC(=O)O)C Z104480144 [1,1,0,0,0,0|0,0,2]=4 221 B6R0.2 CC(C)CC(=O)O Z104474910 [1,1,0,0,0,0|0,0,2]=4 222 B6R0.2 CC(N)CC(=O)O Z147647144 [1,1,0,0,0,0|0,0,2]=4 223 B6R0.2 CN(C)CC(=O)O Z235580496 [1,1,0,0,0,0|1,0,1]=4 224 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,1,0,0,0,0|0,0,2]=4 225 B6R0.2 N=C(N)CC(=O)N Z104480060 [1,1,0,0,0,0|2,0,0]=4 226 B6R0.2 NC(=O)CC(=O)N Z104473780 [1,1,0,0,0,0|2,0,0]=4 227 B6R0.2 NC(=O)CC(=O)O Z963467736 [1,1,0,0,0,0|1,0,0]=3 228 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [1,1,0,0,0,0|1,0,1]=4 229 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [1,1,0,0,0,0|1,0,1]=4 230 B6R0.2 O=C(O)CC(=O)O Z57965450 [1,1,0,0,0,0|1,0,0]=3 231 B6R0.4 C#CCCC(=O)O Z295890062 [1,1,0,0,0,0|0,0,2]=4 232 B6R0.4 C=CCCC(=O)C Z406376894 [1,1,0,0,0,0|1,0,0]=3 233 B6R0.4 C=CCCC(=O)O Z995028722 [1,1,0,0,0,0|0,0,0]=2 234 B6R0.4 C=CCNC(=O)C Z32064466 [1,1,0,0,0,0|1,0,0]=3 235 B6R0.4 C=CCNC(=O)N Z56904662 [1,1,0,0,0,0|1,0,0]=3 236 B6R0.4 C=CCNC(=S)N Z56911918 [1,1,0,0,0,0|1,1,0]=4 237 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,1,0,0,0,0|0,0,2]=4 238 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|0,0,2]=4 239 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|0,0,2]=4 240 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|0,0,2]=4 241 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|0,0,2]=4 242 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,1,0,0,0,0|0,0,2]=4 243 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|0,0,2]=4 244 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|0,0,2]=4 245 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,1,0,0,0,0|0,0,2]=4 246 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|0,0,2]=4 247 B6R0.5 C=CCS(=O)(=O)Cl Z1079442078 [1,1,0,0,0,0|1,0,1]=4 248 B6R0.8 C=CC(C)(N)CC Z3042074270 [1,1,0,0,0,0|1,0,1]=4 249 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [1,1,0,0,0,0|1,0,1]=4 250 B6R0.7 CC(C)(N)C(=O)N Z752371206 [1,1,0,0,0,0|1,0,1]=4 251 B6R0.7 CC(C)(N)C(=O)O Z317024776 [1,1,0,0,0,0|0,0,1]=3 252 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [1,1,0,0,0,0|1,0,1]=4 253 B6R0.7 O=C(O)C(Cl)(Cl)Cl Z104473288 [1,1,0,0,0,0|2,0,0]=4 254 B6R0.7 O=C(O)C(F)(F)Br Z328621122 [1,1,0,0,0,0|2,0,0]=4 255 B6R0.7 O=C(O)C(F)(F)Cl Z1270446583 [1,1,0,0,0,0|2,0,0]=4 256 B6R0.7 O=C(O)C(F)(F)F Z1834265899 [1,1,0,0,0,0|2,0,0]=4 257 B8R0.2 C=CC(C)C(C)C(=O)O Z1205494257 [0,1,0,0,0,1|1,0,0]=3 258 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,1,0,0,0,1|0,0,2]=4 259 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,1,0,0,0,1|1,0,1]=4 260 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,1,0,0,0,1|0,0,2]=4 261 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,1,0,0,0,1|2,0,0]=4 262 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,1,0,0,0,1|2,0,0]=4 263 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,1,0,0,0,1|2,0,0]=4 264 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,1,0,0,0,1|2,0,0]=4 265 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,1,0,0,0,1|1,0,0]=3 266 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,1,0,0,0,1|1,0,0]=3 267 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,1,0,0,0,1|1,0,0]=3 268 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,1,0,0,0,1|1,0,0]=3 269 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,1,0,0,0,1|2,0,0]=4 270 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,1,0,0,0,1|2,0,0]=4 271 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,1,0,0,0,1|2,0,0]=4 272 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,1,0,0,0,1|2,0,0]=4 273 B8R0.34 C=CC(C)(C)CC(=O)O Z1198162637 [0,1,0,0,0,1|1,0,0]=3 274 B8R0.3 C=CCC(N)C(=O)OC Z3067784225 [0,2,0,0,0,0|0,0,0]=2 275 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,2,0,0,0,0|0,0,2]=4 276 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,2,0,0,0,0|0,0,2]=4 277 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,2,0,0,0,0|0,0,0]=2 278 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [0,2,0,0,0,0|0,0,0]=2 279 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [0,2,0,0,0,0|1,0,0]=3 280 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [0,2,0,0,0,0|0,0,2]=4 281 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,2,0,0,0,0|0,0,2]=4 282 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,2,0,0,0,0|0,0,2]=4 283 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,2,0,0,0,0|0,0,2]=4 284 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,2,0,0,0,0|0,0,2]=4 285 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,2,0,0,0,0|0,0,2]=4 286 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,2,0,0,0,0|0,0,2]=4 287 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,2,0,0,0,0|0,0,2]=4 288 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,2,0,0,0,0|0,0,2]=4 289 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,2,0,0,0,0|0,0,2]=4 290 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,2,0,0,0,0|0,0,2]=4 291 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,2,0,0,0,0|0,0,2]=4 292 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,2,0,0,0,0|0,0,2]=4 293 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [0,2,0,0,0,0|0,0,2]=4 294 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,2,0,0,0,0|0,0,2]=4 295 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,2,0,0,0,0|0,0,2]=4 296 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,2,0,0,0,0|0,0,2]=4 297 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,2,0,0,0,0|0,0,2]=4 298 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,2,0,0,0,0|1,0,1]=4 299 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,2,0,0,0,0|0,0,2]=4 300 B8R0.13 CCC(C)(N)C(=O)OC Z992717124 [0,2,0,0,0,0|0,0,2]=4 301 B8R0.20 CCC(CN)C(=O)OC Z2379806941 [0,2,0,0,0,0|0,0,2]=4 302 B8R0.20 CCC(NC)C(=O)OC Z1770192987 [0,2,0,0,0,0|0,0,2]=4 303 B8R0.20 COC(=O)C(CN)CN Z3241252852 [0,2,0,0,0,0|1,0,1]=4 304 B8R0.36 CCC(C)(CN)C(=O)O Z2855347040 [0,2,0,0,0,0|0,0,2]=4 305 B8R0.36 CCC(C)(NC)C(=O)O Z4462826616 [0,2,0,0,0,0|0,0,2]=4 306 B8R0.37 CC(C)(C(=O)N)C(=O)O Z1198174895 [0,2,0,0,0,0|2,0,0]=4 307 B8R0.37 CC(N)(C(=O)O)C(=O)O Z4968335428 [0,2,0,0,0,0|1,0,0]=3 308 B8R0.37 CC(N)(C(=O)O)C(F)F Z3185477658 [0,2,0,0,0,0|1,0,1]=4 309 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,2,0,0,0,0|0,0,2]=4 310 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [0,2,0,0,0,0|0,0,2]=4 311 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [0,2,0,0,0,0|0,0,2]=4 312 B8R0.27 CC(C)(S)C(N)C(=O)O Z203244248 [0,2,0,0,0,0|0,0,2]=4 313 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Z234896485 [0,2,0,0,0,0|0,0,2]=4 314 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Z359371356 [0,2,0,0,0,0|0,0,2]=4 315 B8R0.27 NC(C(=O)O)C(F)(F)F Z1837073442 [0,2,0,0,0,0|1,0,1]=4 316 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,2,0,0,0,0|0,0,2]=4 317 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,2,0,0,0,0|0,0,2]=4 318 B6R1.2 CC1=CC=CO1 Z104472456 [1,0,0,1,0,0|1,0,1]=4 319 B6R1.2 NC1=NC=CO1 Z939904646 [1,0,0,1,0,0|2,0,0]=4 320 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|0,0,2]=4 321 B6R1.2 O=C1NC=CN1 Z1198148260 [1,0,0,1,0,0|2,0,0]=4 322 B6R1.2 O=C1NC=CS1 Z445210514 [1,0,0,1,0,0|1,1,0]=4 323 B8R1.4 NC1=CC(=CC=C1)O Z104473438 [0,0,0,1,0,1|1,0,1]=4 324 B8R1.4 NC1=CC(=NC=C1)O Z851811376 [0,0,0,1,0,1|1,0,1]=4 325 B8R1.4 NC1=NC(=NC=C1)O Z203045338 [0,0,0,1,0,1|1,0,1]=4 326 B8R1.18 NC1CC(=O)NC1=O Z2901974060 [0,0,0,1,0,1|2,0,0]=4 327 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,0,0,1,0,1|0,0,2]=4 328 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [0,0,0,1,0,1|2,0,0]=4 329 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [0,0,0,1,0,1|2,0,0]=4 330 B8R1.51 NC1C=CS(=O)(=O)C1 Z57012285 [0,0,0,1,0,1|1,0,1]=4 331 B8R1.5 NC1=C(C=CC=C1)O Z57127952 [0,1,0,1,0,0|1,0,1]=4 332 B8R1.5 NC1=C(C=CC=N1)O Z104495292 [0,1,0,1,0,0|1,0,1]=4 333 B8R1.5 NC1=C(C=CN=C1)O Z370653926 [0,1,0,1,0,0|1,0,1]=4 334 B8R1.5 NC1=C(C=NC=C1)O Z1664348606 [0,1,0,1,0,0|1,0,1]=4 335 B8R1.5 NC1=C(N=CC=C1)O Z969560564 [0,1,0,1,0,0|1,0,1]=4 336 B8R1.5 NC1=CC=NNC1=O Z3034935799 [0,1,0,1,0,0|1,0,1]=4 337 B8R1.5 NC1=CNC=NC1=O Z2213893347 [0,1,0,1,0,0|1,0,1]=4 338 B8R1.5 NC1=NC=CNC1=O Z3225902419 [0,1,0,1,0,0|1,0,1]=4 339 B8R1.5 O=C1COC=CC1=S Z1513610972 [0,1,0,1,0,0|1,0,1]=4 340 B8R1.5 O=C1OC=CC=C1O Z1198156687 [0,1,0,1,0,0|1,0,1]=4 341 B8R1.7 CC(=O)C1=CC=CN1 Z56899162 [0,1,0,1,0,0|1,0,1]=4 342 B8R1.7 CC(=O)C1=CNC=C1 Z1154253452 [0,1,0,1,0,0|1,0,1]=4 343 B8R1.7 CC(=O)C1=NC=CN1 Z2768175711 [0,1,0,1,0,0|1,0,1]=4 344 B8R1.7 CC(=O)C1=NNC=C1 Z1201023059 [0,1,0,1,0,0|1,0,1]=4 345 B8R1.7 NC(=O)C1=CC=CN1 Z135897752 [0,1,0,1,0,0|1,0,1]=4 346 B8R1.7 NC(=O)C1=CC=NN1 Z1095213382 [0,1,0,1,0,0|1,0,1]=4 347 B8R1.7 NC(=O)C1=CNC=C1 Z1167406084 [0,1,0,1,0,0|1,0,1]=4 348 B8R1.7 NC(=O)C1=NC=CN1 Z1198218632 [0,1,0,1,0,0|1,0,1]=4 349 B8R1.7 O=C(O)C1=CC=CN1 Z94599900 [0,1,0,1,0,0|0,0,1]=3 350 B8R1.7 O=C(O)C1=CC=CO1 Z104473462 [0,1,0,1,0,0|1,0,1]=4 351 B8R1.7 O=C(O)C1=CC=NO1 Z56943419 [0,1,0,1,0,0|0,0,2]=4 352 B8R1.7 O=C(O)C1=CC=NS1 Z1079264356 [0,1,0,1,0,0|0,0,2]=4 353 B8R1.7 O=C(O)C1=CN=CN1 Z993967082 [0,1,0,1,0,0|0,0,1]=3 354 B8R1.7 O=C(O)C1=CN=CO1 Z204020264 [0,1,0,1,0,0|1,0,1]=4 355 B8R1.7 O=C(O)C1=CN=CS1 Z204146918 [0,1,0,1,0,0|1,0,1]=4 356 B8R1.7 O=C(O)C1=CNC=C1 Z1154253207 [0,1,0,1,0,0|0,0,1]=3 357 B8R1.7 O=C(O)C1=CNN=C1 Z275128380 [0,1,0,1,0,0|1,0,1]=4 358 B8R1.7 O=C(O)C1=COC=C1 Z164706016 [0,1,0,1,0,0|1,0,1]=4 359 B8R1.7 O=C(O)C1=COC=N1 Z1095349994 [0,1,0,1,0,0|0,0,2]=4 360 B8R1.7 O=C(O)C1=CSC=C1 Z147647094 [0,1,0,1,0,0|1,0,1]=4 361 B8R1.7 O=C(O)C1=CSC=N1 Z800222638 [0,1,0,1,0,0|0,0,2]=4 362 B8R1.7 O=C(O)C1=NNC=C1 Z381357668 [0,1,0,1,0,0|0,0,1]=3 363 B8R1.7 O=C(O)C1=NOC=C1 Z147642256 [0,1,0,1,0,0|0,0,2]=4 364 B8R1.7 O=C(O)C1=NSC=C1 Z1198233153 [0,1,0,1,0,0|0,0,2]=4 365 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,1,0,1,0,0|0,0,0]=2 366 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,1,0,1,0,0|0,0,2]=4 368 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,1,0,1,0,0|0,0,2]=4 369 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,1,0,1,0,0|0,0,2]=4 370 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,1,0,1,0,0|0,0,2]=4 371 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,1,0,1,0,0|0,0,2]=4 372 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,1,0,1,0,0|0,0,2]=4 373 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,1,0,1,0,0|0,0,2]=4 374 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,1,0,1,0,0|0,0,2]=4 375 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,1,0,1,0,0|0,0,2]=4 376 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,1,0,1,0,0|0,0,2]=4 377 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,1,0,1,0,0|1,0,1]=4 378 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,1,0,1,0,0|0,0,2]=4 379 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,1,0,1,0,0|0,0,2]=4 380 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,1,0,1,0,0|0,0,2]=4 381 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [0,1,0,1,0,0|0,0,2]=4 382 B8R1.11 C=C[C@H]1CNC[C@H]1O Z5042750192 [0,1,0,1,0,0|1,0,1]=4 383 B8R1.11 CC1=C(C=CO1)CN Z803145352 [0,1,0,1,0,0|1,0,1]=4 384 B8R1.11 CC1=C(OC=C1)C=O Z1079442566 [0,1,0,1,0,0|1,0,1]=4 385 B8R1.11 O=CC1=C(C=CO1)Br Z1183458973 [0,1,0,1,0,0|1,0,1]=4 386 B8R1.11 O=CC1=C(C=CO1)F Z1416198484 [0,1,0,1,0,0|1,0,1]=4 387 B8R1.39 COC(=O)C1(CC1)N Z1552027431 [0,1,0,1,0,0|0,0,2]=4 388 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,1,0,1,0,0|0,0,2]=4 389 B8R1.63 CNC1(CC1)C(=O)O Z3022016916 [0,1,0,1,0,0|0,0,2]=4 390 B8R1.63 NCC1(CC1)C(=O)O Z2234185648 [0,1,0,1,0,0|0,0,2]=4 391 B8R1.63 O=CC1(CC1)C(=O)O Z1205496088 [0,1,0,1,0,0|2,0,0]=4 392 B8R2.5 O=C1N[C@H]2[C@@H]1C=C2 Z3678520407 [0,0,0,2,0,0|2,0,0]=4 393 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [0,0,0,0,0,2|0,0,0]=2 394 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,0,0,0,0,2|1,0,1]=4