0 B8R0.27 C=C(C(=O)O)C(F)(F)F Z826034004 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.27 CC(C(=O)O)C(C)(F)F Z2216264420 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.27 CC(C(=O)O)C(F)(F)F Z1205494054 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.27 CC(C)(C)C(O)C(=O)O Z803056544 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.27 CC(C)(C)[C@H](N)C(=O)N Z1274177433 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.27 CC(C)(O)C(O)C(=O)O Z1205493888 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O Z1205494143 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.27 CC(C)(S)C(N)C(=O)O Z203244248 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O Z234896485 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Z359371356 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.27 CC(C)C(N)C(F)(F)F Z1741978730 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.27 CC(C)[C@H](N)C(F)(F)F Z1741978732 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.27 CC(N)C(O)C(F)(F)F Z1947443896 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.27 C[C@@H](O)[C@H](N)C(F)(F)F Z4381483521 [0,0,0,0,0,0|1,0,1]=2 17 B8R0.27 NC(=O)C(N)C(F)(F)F Z2171028120 [0,0,0,0,0,0|1,0,0]=1 18 B8R0.27 NC(C(=O)O)C(F)(F)F Z1837073442 [0,0,0,0,0,0|0,0,0]=0 19 B8R0.27 O=C(O)C(O)C(F)(F)F Z3225872563 [0,0,0,0,0,0|1,0,0]=1 20 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [1,0,0,0,0,0|2,1,0]=4 21 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.9 N=C(N)CC(F)(F)F Z1272672457 [1,0,0,0,0,0|2,0,0]=3 26 B7R0.14 CC(CN)C(F)(F)F Z1744689501 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.14 CCC(N)C(C)(F)F Z4077526422 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.14 CCC(O)C(F)(F)F Z838950592 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.14 CC[C@H](N)C(F)(F)F Z1809367787 [1,0,0,0,0,0|1,0,1]=3 30 B7R0.14 NCC(F)C(F)(F)F Z2733322840 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.14 NC[C@H](O)C(F)(F)F Z2235329646 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.14 N[C@H](CO)C(F)(F)F Z1198277881 [1,0,0,0,0,0|0,0,1]=2 33 B7R0.16 CC(=C(F)F)C(=O)O Z1205497572 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [1,0,0,0,0,0|3,0,0]=4 40 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [1,0,0,0,0,0|3,0,0]=4 44 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [1,0,0,0,0,0|3,0,0]=4 45 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [1,0,0,0,0,0|2,0,0]=3 48 B9R0.25 CCC(C)C(N)C(F)(F)F Z1874937363 [0,1,0,0,0,0|2,0,1]=4 49 B9R0.25 COC(=O)C(N)C(C)(C)C Z2736427680 [0,1,0,0,0,0|3,0,0]=4 50 B9R0.25 COC(=O)C(N)C(F)(F)F Z1201624681 [0,1,0,0,0,0|0,0,0]=1 51 B9R0.25 COC(=O)[C@@H](N)C(C)(C)F Z4917184507 [0,1,0,0,0,0|2,0,0]=3 52 B9R0.25 CO[C@@H](C)[C@@H](N)C(F)(F)F Z4916196615 [0,1,0,0,0,0|1,0,1]=3 53 B9R0.32 CCC(C)(C)C(N)C(=O)O Z2429425649 [0,1,0,0,0,0|3,0,0]=4 54 B9R0.49 CC(C)(C)C(N)C(F)(F)F Z1267881612 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.72 CN(C)C(CN)C(F)(F)F Z2177030677 [0,1,0,0,0,0|3,0,0]=4 56 B9R0.80 CC(C)(C(=N)N)C(F)(F)F Z1262646056 [0,1,0,0,0,0|3,0,0]=4 57 B9R0.80 CC(C)(F)C(C)(F)C(=O)O Z3463117068 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.80 CC(F)(F)C(C)(C)C(=O)O Z1262555899 [0,1,0,0,0,0|2,0,0]=3 59 B9R0.80 CC(N)(C(=O)N)C(F)(F)F Z1262628987 [0,1,0,0,0,0|1,0,0]=2 60 B9R0.80 CC(N)(C(=O)O)C(F)(F)F Z1269704823 [0,1,0,0,0,0|0,0,0]=1 61 B9R0.80 NC(=O)C(F)(Br)C(F)(F)F Z56762203 [0,1,0,0,0,0|2,0,0]=3 62 B9R0.80 NC(=O)C(F)(F)C(F)(F)F Z406353702 [0,1,0,0,0,0|2,0,0]=3 63 B9R0.80 O=C(O)C(F)(F)C(F)(F)F Z406679890 [0,1,0,0,0,0|1,0,0]=2 64 B9R1.102 NC(C1CC1)C(F)(F)F Z2111525917 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.111 CC1(CC1)C(N)C(=O)O Z2940229290 [0,0,0,1,0,0|3,0,0]=4 66 B9R1.138 CC1(COC(=O)C1N)C Z2092370679 [0,0,0,1,0,0|3,0,0]=4 67 B9R1.166 CC1(CNC1C(=O)O)C Z2690814529 [0,0,0,1,0,0|3,0,0]=4 68 B9R1.169 CC1(CC1(F)F)C(=O)O Z1201624185 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.169 CC1(CC1(N)C(=O)O)C Z3674952394 [0,0,0,1,0,0|3,0,0]=4 70 B9R0.10 CC(=O)CC(=O)C(F)(F)F Z104472948 [0,0,0,0,0,1|2,0,1]=4 71 B9R0.10 CC(C)(C)C(N)CC(=O)O Z1582263789 [0,0,0,0,0,1|3,0,0]=4 72 B9R0.10 CN(C)CC(N)C(F)(F)F Z3889944673 [0,0,0,0,0,1|3,0,0]=4 73 B9R0.10 NC(=O)NC(=O)C(F)(F)F Z1262624020 [0,0,0,0,0,1|2,0,1]=4 74 B9R0.10 NC(CC(=O)O)C(F)(F)F Z56782526 [0,0,0,0,0,1|0,0,0]=1 75 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [0,0,0,0,0,1|3,0,0]=4 76 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Z2432627366 [0,0,0,0,0,1|2,1,0]=4 77 B9R0.57 CC(CC(F)(F)F)C(=O)O Z1201619644 [0,0,0,0,0,1|1,0,0]=2 78 B9R0.57 CC(F)(F)CC(N)C(=O)O Z3325264018 [0,0,0,0,0,1|1,0,0]=2 79 B9R0.57 CC(SC(F)(F)F)C(=O)O Z381191540 [0,0,0,0,0,1|1,0,0]=2 80 B9R0.57 NC(CC(F)(F)F)C(=O)O Z1357902358 [0,0,0,0,0,1|0,0,0]=1 81 B6R0.2 CC(C)CC(=O)O Z104474910 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.2 CC(N)CC(=O)O Z147647144 [2,0,0,0,0,0|2,0,0]=4 83 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.5 NCCC(F)(F)F Z1741959014 [2,0,0,0,0,0|1,0,1]=4 85 B6R0.3 C=CC(N)C(=O)O Z3244810526 [2,0,0,0,0,0|1,0,1]=4 86 B6R0.3 CC(CN)C(=O)O Z431542704 [2,0,0,0,0,0|2,0,0]=4 87 B6R0.3 CC(CO)C(=O)O Z431541400 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.3 CCC(C)C(=O)O Z237374874 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.3 CCC(N)C(=O)O Z104495144 [2,0,0,0,0,0|1,0,0]=3 90 B6R0.3 CCC(O)C(=O)O Z246073650 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [2,0,0,0,0,0|1,0,0]=3 92 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [2,0,0,0,0,0|2,0,0]=4 93 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.3 NC(CO)C(=O)O Z57396986 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.3 NC(CS)C(=O)O Z966690626 [2,0,0,0,0,0|1,0,0]=3 96 B6R0.3 NCC(N)C(=O)O Z2465863279 [2,0,0,0,0,0|1,0,0]=3 97 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [2,0,0,0,0,0|1,0,0]=3 100 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [2,0,0,0,0,0|1,0,0]=3 101 B6R0.7 CC(N)C(C)(F)F Z2234631218 [2,0,0,0,0,0|1,0,1]=4 102 B6R0.7 CC(N)C(F)(F)F Z2120060909 [2,0,0,0,0,0|0,0,1]=3 103 B6R0.7 FC(F)(F)C(Cl)Br Z1201617125 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.7 O=C(O)C(F)(F)F Z1834265899 [2,0,0,0,0,0|1,0,1]=4 105 B8R0.24 NCC(O)CC(F)(F)F Z3244598407 [1,1,0,0,0,0|1,0,1]=4 106 B8R0.33 NS(=O)(=O)CC(F)(F)F Z1094758726 [1,1,0,0,0,0|1,0,1]=4 107 B8R0.33 O=S(=O)(Cl)CC(F)(F)F Z414834394 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.14 NC(CCO)C(F)(F)F Z1198183494 [1,1,0,0,0,0|0,0,1]=3 109 B8R0.17 CC(N)(CN)C(F)(F)F Z1509090250 [1,1,0,0,0,0|1,0,1]=4 110 B8R0.17 CC(N)(CO)C(F)(F)F Z1510155344 [1,1,0,0,0,0|0,0,1]=3 111 B8R0.17 CCC(C)(N)C(F)(F)F Z1267773685 [1,1,0,0,0,0|1,0,1]=4 112 B8R0.26 CNC(CN)C(F)(F)F Z2512945427 [1,1,0,0,0,0|1,0,1]=4 113 B8R0.26 COC(CN)C(F)(F)F Z1267881682 [1,1,0,0,0,0|2,0,0]=4 114 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [1,1,0,0,0,0|2,0,0]=4 115 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [1,1,0,0,0,0|2,0,0]=4 116 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [1,1,0,0,0,0|2,0,0]=4 117 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [1,1,0,0,0,0|2,0,0]=4 118 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [1,1,0,0,0,0|2,0,0]=4 119 B8R0.2 COC(=O)C(N)C(C)C Z2335631495 [1,1,0,0,0,0|2,0,0]=4 120 B8R0.2 COC(=O)C(N)C(C)O Z1695799434 [1,1,0,0,0,0|2,0,0]=4 121 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)F Z4353916280 [1,1,0,0,0,0|1,0,0]=3 122 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [1,1,0,0,0,0|2,0,0]=4 123 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [1,1,0,0,0,0|2,0,0]=4 124 B8R0.37 CC(C)(C(=O)O)C(F)F Z1205656337 [1,1,0,0,0,0|1,0,0]=3 125 B8R0.37 CC(N)(C(=O)O)C(F)F Z3185477658 [1,1,0,0,0,0|0,0,0]=2 126 B8R0.37 CC(O)(C(=O)[O-])C(F)F Z4510561429 [1,1,0,0,0,0|1,0,1]=4 127 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [1,1,0,0,0,0|2,0,0]=4 128 B10R0.14 CC(N)(CC(=O)O)C(F)(F)F Z3719029659 [0,1,0,0,0,1|0,0,0]=2 129 B10R0.14 CC(O)(CC(=O)O)C(F)(F)F Z108565166 [0,1,0,0,0,1|1,0,0]=3 130 B10R0.14 O=C(O)CC(F)(F)C(F)(F)F Z1262518119 [0,1,0,0,0,1|1,0,0]=3 131 B10R0.138 CNC(CC(=O)N)C(F)(F)F Z2733357939 [0,1,0,0,0,1|1,0,0]=3 132 B10R0.138 CNC(CC(=O)O)C(F)(F)F Z2681255155 [0,1,0,0,0,1|0,0,0]=2 133 B10R0.138 NCC(CC(=O)O)C(F)(F)F Z2082999000 [0,1,0,0,0,1|0,0,0]=2 134 B10R0.154 NC(C(=O)O)C(O)C(F)(F)F Z56767333 [0,1,0,0,0,1|1,0,0]=3 135 B10R0.95 CCC(CC(F)(F)F)C(=O)O Z1262547938 [0,1,0,0,0,1|1,0,0]=3 136 B10R0.95 CNC(CC(F)(F)F)C(=O)O Z4663899960 [0,1,0,0,0,1|0,0,0]=2 137 B10R0.58 COC(=O)C(C)(N)C(F)(F)F Z3670333279 [0,2,0,0,0,0|0,0,0]=2 138 B10R0.117 CC(O)(C(F)F)C(N)C(=O)O Z3759788258 [0,2,0,0,0,0|2,0,0]=4 139 B10R0.173 CCC(N)(C(=O)O)C(F)(F)F Z1820078333 [0,2,0,0,0,0|0,0,0]=2 140 B10R0.173 COC(F)(C(=O)N)C(F)(F)F Z56761672 [0,2,0,0,0,0|2,0,0]=4 141 B8R1.77 NC(=O)C1CC1(F)F Z1203638703 [1,0,0,1,0,0|2,0,0]=4 142 B8R1.19 NC1COCC1(F)F Z4184667162 [1,0,0,1,0,0|1,0,1]=4 143 B8R1.48 O=CC1CCC1(F)F Z3827377084 [1,0,0,1,0,0|2,0,0]=4 144 B8R1.70 NC1(CC1)C(F)(F)F Z1578014181 [1,0,0,1,0,0|1,0,1]=4 145 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [1,0,0,1,0,0|2,0,0]=4 146 B8R1.31 O=C(O)C1CCC1F Z2035936452 [1,0,0,1,0,0|2,0,0]=4 147 B8R1.50 CC1COC(=O)C1N Z3951586277 [1,0,0,1,0,0|2,0,0]=4 148 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [1,0,0,1,0,0|2,0,0]=4 149 B10R1.55 O=C1CC(CN1)C(F)(F)F Z1486010820 [0,0,0,1,0,1|2,0,0]=4 150 B10R1.55 O=C1CSC(O1)C(F)(F)F Z119989676 [0,0,0,1,0,1|2,0,0]=4 151 B10R1.55 O=C1NC(CO1)C(F)(F)F Z1251415385 [0,0,0,1,0,1|1,0,0]=3 152 B10R1.55 O=C1OCC(O1)C(F)(F)F Z1198159896 [0,0,0,1,0,1|1,0,0]=3 153 B10R1.359 O=C(O)C1CC(CN1)(F)F Z1815156403 [0,0,0,1,0,1|1,0,0]=3 154 B10R1.359 O=C(O)C1CCC(C1)(F)F Z1255366935 [0,0,0,1,0,1|2,0,0]=4 155 B10R1.566 CC1(CC(C1)(F)F)C(=O)O Z1262527350 [0,0,0,1,0,1|2,0,0]=4 156 B10R1.566 NC1(CC(C1)(F)F)C(=O)O Z1603778714 [0,0,0,1,0,1|1,0,0]=3 157 B10R1.566 O=C(O)C1(CC(C1)(F)F)O Z3033360998 [0,0,0,1,0,1|2,0,0]=4 158 B10R1.65 O=C1OCCC1C(F)(F)F Z1255383468 [0,1,0,1,0,0|1,0,0]=3 159 B10R1.128 O=C(O)C1CCCC1(F)F Z1222424705 [0,1,0,1,0,0|2,0,0]=4 160 B10R1.242 NCC1(CC1(F)F)C(=O)O Z2830496052 [0,1,0,1,0,0|1,0,0]=3 161 B10R1.366 CC(F)(F)C1(CC1)C(=O)O Z2489418713 [0,1,0,1,0,0|2,0,0]=4 162 B8R0.29 CC(=O)CCC(F)(F)F Z1235985192 [1,0,0,0,0,1|1,0,0]=3 163 B8R0.29 CC(=O)NCC(F)(F)F Z33476090 [1,0,0,0,0,1|1,0,0]=3 164 B8R0.29 CC(F)(F)CCC(=O)O Z316121454 [1,0,0,0,0,1|1,0,0]=3 165 B8R0.29 N=C(N)CCC(F)(F)F Z1601554679 [1,0,0,0,0,1|2,0,0]=4 166 B8R0.29 N=C(N)NCC(F)(F)F Z1718361983 [1,0,0,0,0,1|2,0,0]=4 167 B8R0.29 NC(=O)CCC(F)(F)F Z1203585658 [1,0,0,0,0,1|1,0,0]=3 168 B8R0.29 NC(=O)CSC(F)(F)F Z56771938 [1,0,0,0,0,1|1,0,0]=3 169 B8R0.29 NC(=O)NCC(F)(F)F Z104442464 [1,0,0,0,0,1|1,0,0]=3 170 B8R0.29 NC(=O)OCC(F)(F)F Z185587028 [1,0,0,0,0,1|1,0,0]=3 171 B8R0.29 O=C(O)CSC(F)(F)F Z57932525 [1,0,0,0,0,1|0,0,0]=2 172 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [1,0,0,0,0,1|2,0,0]=4 173 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [1,0,0,0,0,1|2,0,0]=4 174 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [1,0,0,0,0,1|2,0,0]=4 175 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [1,0,0,0,0,1|2,0,0]=4 176 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [1,0,0,0,0,1|1,0,0]=3 177 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [1,0,0,0,0,1|0,0,0]=2 178 B10R0.12 NC(CCC(=O)O)C(F)(F)F Z2942397371 [0,0,0,0,0,2|0,0,0]=2 179 B10R0.12 O=C(O)CNC(=O)C(F)(F)F Z235363061 [0,0,0,0,0,2|1,0,1]=4 180 B10R0.92 CC(CSC(F)(F)F)C(=O)O Z1197891634 [0,0,0,0,0,2|1,0,0]=3 181 B10R0.92 CC(OCC(F)(F)F)C(=O)O Z316258834 [0,0,0,0,0,2|1,0,0]=3 182 B10R0.92 NC(CCC(F)(F)F)C(=O)O Z1954804076 [0,0,0,0,0,2|0,0,0]=2