0 B9R1.6 C1CC(CC=C1)C(=O)O PI-41428 [0,0,0,0,0,0|0,0,2]=2 1 B9R1.6 C1CC(CNC1)C(=O)N PI-33281 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 C1CC(CNC1)C(=O)O PI-21884 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.6 C1CC(CNC1)C(=O)O PI-25607 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.6 C1CCC(=CC1)C(=O)O PI-34191 [0,0,0,0,0,0|0,0,2]=2 5 B9R1.6 C1CCC(CC1)C(=O)N PI-30065 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.6 C1CCN(CC1)C(=O)O PI-13305 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.6 C1CCNC(C1)C(=O)O PI-16483 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.6 C1CN(CCN1)C(=O)N PI-45618 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 C1CNCCC1C(=O)O PI-10271 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.6 C1CNCCC1C(=O)O PI-32117 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.6 C1COC(CO1)C(=O)O PI-41690 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.6 C1COCCC1C(=O)N PI-40557 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.6 C1CSCC(N1)C(=O)O PI-17982 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.6 C1CSCCC1C(=O)O PI-48819 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.6 CC(=O)C1=CCCCC1 PI-26979 [0,0,0,0,0,0|1,0,2]=3 16 B9R1.6 CC(=O)N1CCNCC1 PI-24100 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.6 CC(=O)N1CCOCC1 PI-32154 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.6 CC(C1CCCCC1)N PI-43987 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.6 CC(C1CCCCC1)N PI-44012 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.6 CC(C1CCCCC1)N PI-44013 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.6 CC(C1CCOCC1)=O PI-42683 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.6 CN(C)C1CCCNC1 PI-23400 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.6 CN(C)C1CCCNC1 PI-43350 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.6 CN(C)C1CCNCC1 PI-11072 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.6 CN(C)C1CCNCC1 PI-43349 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.6 ClC(=O)N1CCOCC1 PI-34246 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.6 NC(=O)C1CCNCC1 PI-31480 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.6 O=C(Cl)C1CCOCC1 PI-41795 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.6 OB(C1=CCCCC1)O PI-18964 [0,0,0,0,0,0|1,0,3]=4 30 B9R1.6 OB(C1CCCCC1)O PI-25580 [0,0,0,0,0,0|1,0,1]=2 31 B9R1.6 OC(=O)C1CCCCC1 PI-34204 [0,0,0,0,0,0|0,0,0]=0 32 B9R1.6 OC(=O)C1CCCCN1 PI-16286 [0,0,0,0,0,0|1,0,0]=1 33 B9R1.6 OC(=O)C1CCCOC1 PI-39358 [0,0,0,0,0,0|1,0,0]=1 34 B9R1.6 OC(=O)C1CNCCN1 PI-15698 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.6 OC(=O)C1NCCNC1 PI-10270 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.6 OC(=O)[C@@H]1CCC=CC1 PI-41429 [0,0,0,0,0,0|0,0,2]=2 37 B9R1.6 OC(=O)[C@@H]1CCCCN1 PI-10137 [0,0,0,0,0,0|1,0,0]=1 38 B9R1.6 OC(=O)[C@@H]1CNCCN1 PI-10140 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.6 OC(=O)[C@@H]1CSCCN1 PI-36417 [0,0,0,0,0,0|2,0,0]=2 40 B9R1.6 OC(=O)[C@@H]1NCCNC1 PI-10335 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.6 OC(=O)[C@H]1CCCCN1 PI-10136 [0,0,0,0,0,0|1,0,0]=1 42 B9R1.6 OC(=O)[C@H]1CCCNC1 PI-21885 [0,0,0,0,0,0|1,0,0]=1 43 B9R1.6 OC(=O)[C@H]1CNCCN1 PI-10164 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.6 OC(=O)[C@H]1NCCNC1 PI-18225 [0,0,0,0,0,0|2,0,0]=2 45 B8R1.2 BrCC1CCCCC1 PI-33021 [1,0,0,0,0,0|1,0,1]=3 46 B8R1.2 BrCC1CCCOC1 PI-39467 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.2 BrCC1CCNCC1 PI-36265 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.2 BrCC1CCOCC1 PI-14484 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.2 C#CC1CCOCC1 PI-45406 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.2 C(=O)C1CCC=CC1 PI-38079 [1,0,0,0,0,0|0,0,2]=3 51 B8R1.2 C(C1CCOCC1)O PI-40556 [1,0,0,0,0,0|1,0,1]=3 52 B8R1.2 C1CC(CNC1)CN PI-11064 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.2 C1CC(CNC1)CO PI-11066 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.2 C1CCC(CC1)C#N PI-34206 [1,0,0,0,0,0|1,0,1]=3 55 B8R1.2 C1CCC(CC1)CI PI-44086 [1,0,0,0,0,0|1,0,1]=3 56 B8R1.2 C1CCC(CC1)NN PI-17833 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.2 C1CCC(CC1)NO PI-17940 [1,0,0,0,0,0|1,0,0]=2 58 B8R1.2 C1CCC(CC1)ON PI-47245 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.2 C1CCN(CC1)C=O PI-33110 [1,0,0,0,0,0|1,0,0]=2 60 B8R1.2 C1CCNC(C1)C=O PI-13254 [1,0,0,0,0,0|1,0,0]=2 61 B8R1.2 C1CCNC(C1)CO PI-11061 [1,0,0,0,0,0|1,0,1]=3 62 B8R1.2 C1CCOC=C1C=O PI-21265 [1,0,0,0,0,0|1,0,2]=4 63 B8R1.2 C1CN(CCN1)C=O PI-16401 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.2 C1CNCCC1C=O PI-13255 [1,0,0,0,0,0|1,0,0]=2 65 B8R1.2 C1CNCCC1CN PI-11070 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.2 C1CNCCC1CO PI-31327 [1,0,0,0,0,0|1,0,1]=3 67 B8R1.2 C1CN[C@H](CN1)CO PI-49244 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.2 C1COC(CN1)CO PI-41789 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.2 C1COC(CN1)CO PI-44022 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.2 C1COC(CN1)CO PI-44023 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.2 C1CO[C@@H](CO1)CO PI-48359 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.2 C1CO[C@H](CO1)CO PI-48360 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.2 C1C[C@@H](CNC1)CO PI-48081 [1,0,0,0,0,0|1,0,1]=3 74 B8R1.2 CCC1CCCCN1 PI-11060 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.2 CNC1CCCNC1 PI-11067 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 CNC1CCNCC1 PI-43342 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 CNC1CCNCC1 PI-43343 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 CNC1CCOCC1 PI-38449 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 COC1CCCNC1 PI-36380 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.2 COC1CCCNC1 PI-43328 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.2 COC1CCNCC1 PI-39354 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.2 COC1CCNCC1 PI-39359 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.2 N#CC1CCNCC1 PI-25574 [1,0,0,0,0,0|2,0,1]=4 84 B8R1.2 N#CC1CCOCC1 PI-39254 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.2 NCC1CCCCC1 PI-34207 [1,0,0,0,0,0|1,0,1]=3 86 B8R1.2 NCC1CCCCN1 PI-11059 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.2 NCC1CCOCC1 PI-14113 [1,0,0,0,0,0|2,0,1]=4 88 B8R1.2 NOC1CCCCO1 PI-31842 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.2 O=CC1CCCCC1 PI-11615 [1,0,0,0,0,0|0,0,0]=1 90 B8R1.2 OCC1CCCCC1 PI-15325 [1,0,0,0,0,0|0,0,1]=2 91 B8R1.2 OCC1CCNCC1 PI-11073 [1,0,0,0,0,0|1,0,1]=3 92 B10R1.13 C1CC(CCC1C(=O)O)O PI-41501 [0,1,0,0,0,0|0,0,0]=1 93 B10R1.13 CC(=O)N1CCC(CC1)O PI-43312 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.13 CN1CCC(CC1)C(=O)O PI-24582 [0,1,0,0,0,0|1,0,0]=2 95 B10R1.13 CN1CCN(CC1)C(=O)Cl PI-11447 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.13 NC1CCC(CC1)C(=O)O PI-17553 [0,1,0,0,0,0|0,0,0]=1 97 B10R1.13 NC1CCC(CC1)C(=O)O PI-36878 [0,1,0,0,0,0|0,0,0]=1 98 B10R1.13 N[C@H]1CC[C@H](N(C)C)CC1 PI-40980 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.15 C1CCC(CC1)C(CO)N PI-42212 [0,1,0,0,0,0|1,0,1]=3 100 B10R1.15 C1COCCN1C(=O)CCl PI-23122 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.15 C1COCCN1C(=O)NN PI-50552 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.15 COC(=O)C1=CCCCO1 PI-36381 [0,1,0,0,0,0|1,0,2]=4 103 B10R1.15 COC(=O)C1CCCCC1 PI-34205 [0,1,0,0,0,0|0,0,0]=1 104 B10R1.15 COC(=O)C1CCCCN1 PI-25279 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.15 COC(=O)C1CCCCN1 PI-33279 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.15 COC(=O)C1CCCNC1 PI-25618 [0,1,0,0,0,0|1,0,0]=2 107 B10R1.15 COC(=O)C1CCNCC1 PI-24303 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.15 COC(=O)C1CCOCC1 PI-40558 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.15 COC(=O)C1CNCCN1 PI-36154 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.15 COC(=O)N1CCNCC1 PI-43190 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.15 COC(=O)[C@@H]1CCCCN1 PI-25280 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.15 N[C@@H](C1CCCCC1)CO PI-42211 [0,1,0,0,0,0|1,0,1]=3 113 B10R1.28 CC(C)(C)C1CCCCC1 PI-42268 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.61 CN(C)C1CCCCC1N PI-33728 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.61 CN1CCCCC1C(=O)O PI-25389 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.61 CN1CCNCC1C(=O)O PI-35986 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.113 C1CC(CC(C1)N)C(=O)O PI-30392 [0,1,0,0,0,0|0,0,0]=1 118 B10R1.113 C1CC(NC(=O)C1)C(=O)O PI-25461 [0,1,0,0,0,0|1,0,1]=3 119 B10R1.113 CN1CCCC(C1)C(=O)O PI-24210 [0,1,0,0,0,0|1,0,0]=2 120 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O PI-42596 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.113 O=C1CCCC(N1)C(=O)O PI-25511 [0,1,0,0,0,0|1,0,1]=3 122 B10R1.113 O=C1CN(C(C)=O)CCC1 PI-40981 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.113 OC(=O)[C@@H]1CCNC(=N1)C PI-38939 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.113 OC1CNCC(C1)C(=O)O PI-36256 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.363 C1CCC(CC1)(C(=O)O)N PI-45023 [0,1,0,0,0,0|0,0,0]=1 126 B10R1.363 C1CNCCC1(C(=O)O)N PI-48781 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.363 C1CNCCC1(C(=O)O)N PI-48782 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.363 C1COCCC1(C(=O)O)N PI-48862 [0,1,0,0,0,0|1,0,0]=2 129 B10R1.363 OC(=O)C1(C)CCCCN1 PI-36377 [0,1,0,0,0,0|1,0,0]=2 130 B8R0.7 B(CCCCCC)(O)O PI-25221 [0,0,1,0,0,0|1,0,1]=3 131 B8R0.7 BrCCCCCC(=O)Cl PI-21506 [0,0,1,0,0,0|2,0,0]=3 132 B8R0.7 BrCCCCCC(=O)O PI-26630 [0,0,1,0,0,0|1,0,0]=2 133 B8R0.7 C(CCC(=O)N)CCBr PI-21503 [0,0,1,0,0,0|2,0,0]=3 134 B8R0.7 CC(=O)OCCCSC PI-35854 [0,0,1,0,0,0|3,0,0]=4 135 B8R0.7 CCCCCCC(=O)[O-] PI-46862 [0,0,1,0,0,0|0,0,1]=2 136 B8R0.7 CCCCCCC(C)O PI-10350 [0,0,1,0,0,0|1,0,1]=3 137 B8R0.7 CCCCCOC(=O)Cl PI-24536 [0,0,1,0,0,0|2,0,0]=3 138 B8R0.7 CCCCCOC(=S)[S-] PI-47065 [0,0,1,0,0,0|1,2,0]=4 139 B8R0.7 CCOCCOC(=O)Cl PI-48465 [0,0,1,0,0,0|3,0,0]=4 140 B8R0.7 CCOCCOC(C)=O PI-12911 [0,0,1,0,0,0|3,0,0]=4 141 B8R0.7 O=C(O)CCCCCN PI-41159 [0,0,1,0,0,0|1,0,0]=2 142 B8R0.7 O=C(O)COCCCC PI-32593 [0,0,1,0,0,0|1,0,0]=2 143 B8R0.8 C(CC(C(=O)O)N)CN PI-15758 [0,0,1,0,0,0|2,0,0]=3 144 B8R0.8 C(CC(C(=O)O)N)CN PI-42140 [0,0,1,0,0,0|2,0,0]=3 145 B8R0.8 CCCCC(=O)C(=O)O PI-50172 [0,0,1,0,0,0|1,0,1]=3 146 B8R0.8 CCCCC(C(=O)O)Br PI-44233 [0,0,1,0,0,0|1,0,0]=2 147 B8R0.8 CSCCC(C(=O)O)N PI-16565 [0,0,1,0,0,0|2,0,0]=3 148 B8R0.8 C[Se]CC[C@H](N)C(=O)O PI-31833 [0,0,1,0,0,0|2,0,0]=3 149 B8R0.8 N[C@@H](COCN)C(=O)O PI-13094 [0,0,1,0,0,0|3,0,0]=4 150 B8R0.8 N[C@H](C(=O)O)CCCN PI-31147 [0,0,1,0,0,0|2,0,0]=3 151 B8R0.15 CCCC(C(=O)O)NC PI-43602 [0,0,1,0,0,0|1,0,0]=2 152 B8R0.15 CCCC(C(=O)O)NC PI-43851 [0,0,1,0,0,0|1,0,0]=2 153 B8R0.15 CCCC(CC)C(=O)O PI-50173 [0,0,1,0,0,0|0,0,0]=1 154 B10R2.61 C1CC2CC(C1)OC2=O PI-34881 [0,0,0,1,0,0|0,0,0]=1 155 B10R2.62 O=C1CN2CCC1CC2 PI-12323 [0,0,0,1,0,0|2,0,0]=3 156 B10R2.357 C1C2C1NC(C2)C(=O)N PI-42305 [0,0,0,1,0,0|2,0,0]=3 157 B10R2.357 NC(=O)[C@@H]1C[C@@H]2[C@H](N1)C2 PI-37483 [0,0,0,1,0,0|2,0,0]=3 158 B10R2.357 NC(=O)[C@@H]1C[C@H]2[C@@H](N1)C2 PI-37485 [0,0,0,1,0,0|2,0,0]=3 159 B10R2.357 O=C([C@H]1N[C@H]2C[C@H]2C1)N PI-42306 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.7 C1C(NCS1)C(=O)O PI-12069 [0,0,0,0,1,0|2,0,0]=3 161 B8R1.7 C1C=CCC1C(=O)O PI-33725 [0,0,0,0,1,0|0,0,2]=3 162 B8R1.7 C1CC(NC1)C(=O)O PI-44957 [0,0,0,0,1,0|1,0,0]=2 163 B8R1.7 C1CC(OC1)C(=O)O PI-31322 [0,0,0,0,1,0|1,0,0]=2 164 B8R1.7 C1CC(OC1)C(=O)O PI-31323 [0,0,0,0,1,0|1,0,0]=2 165 B8R1.7 C1CC=C(C1)C(=O)O PI-30173 [0,0,0,0,1,0|0,0,2]=3 166 B8R1.7 C1CNCC1C(=O)O PI-25815 [0,0,0,0,1,0|1,0,0]=2 167 B8R1.7 C1COC=C1C(=O)O PI-48370 [0,0,0,0,1,0|1,0,2]=4 168 B8R1.7 C1COCC1C(=O)O PI-42680 [0,0,0,0,1,0|1,0,0]=2 169 B8R1.7 CC(=O)C1CCCC1 PI-38161 [0,0,0,0,1,0|1,0,0]=2 170 B8R1.7 CC(=O)C1CCOC1 PI-42706 [0,0,0,0,1,0|2,0,0]=3 171 B8R1.7 ClC(=O)C1CCCC1 PI-39144 [0,0,0,0,1,0|1,0,0]=2 172 B8R1.7 ClP([CH-]1[CH2-][CH2-][CH2-][CH2-]1)Cl Cl.[Fe+2] [0,0,0,0,1,0|3,0,0]=4 173 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-10274 [0,0,0,0,1,0|2,0,0]=3 174 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-16579 [0,0,0,0,1,0|2,0,0]=3 175 B8R1.7 NC(=O)[C@H]1CCCN1 PI-16293 [0,0,0,0,1,0|2,0,0]=3 176 B8R1.7 OB(C1COCC1)O PI-38479 [0,0,0,0,1,0|2,0,1]=4 177 B8R1.7 OB(O)C1CCCC1 PI-20922 [0,0,0,0,1,0|1,0,1]=3 178 B8R1.7 OC(=O)C1CCCC1 PI-39143 [0,0,0,0,1,0|0,0,0]=1 179 B8R1.7 OC(=O)C1CCCO1 PI-33719 [0,0,0,0,1,0|1,0,0]=2 180 B8R1.7 OC(=O)C1CNCC1 PI-36920 [0,0,0,0,1,0|1,0,0]=2 181 B8R1.7 OC(=O)[C@H]1CCCN1 PI-31157 [0,0,0,0,1,0|1,0,0]=2 182 B8R1.7 OC(=O)[C@H]1NCC=C1 PI-38250 [0,0,0,0,1,0|1,0,2]=4 183 B10R1.18 C1CCC(=CC1)CC(=O)O PI-46491 [0,0,0,0,0,1|0,0,2]=3 184 B10R1.18 C1CCC(CC1)NC(=O)N PI-12282 [0,0,0,0,0,1|1,0,0]=2 185 B10R1.18 C1CCC(CC1)OC(=O)Cl PI-42237 [0,0,0,0,0,1|1,0,0]=2 186 B10R1.18 C1CNCCC1CC(=O)O PI-21883 [0,0,0,0,0,1|1,0,0]=2 187 B10R1.18 C1COCCN1CC(=O)O PI-48289 [0,0,0,0,0,1|2,0,0]=3 188 B10R1.18 CC(=O)CC1CCCCC1 PI-17830 [0,0,0,0,0,1|1,0,0]=2 189 B10R1.18 CC(=O)NC1CCNCC1 PI-40546 [0,0,0,0,0,1|2,0,0]=3 190 B10R1.18 CC(=O)OC1CCCC=C1 PI-38668 [0,0,0,0,0,1|1,0,2]=4 191 B10R1.18 O=C(O)CC1NCCNC1 PI-37079 [0,0,0,0,0,1|2,0,0]=3 192 B10R1.18 OC(=O)CC1CCCCC1 PI-11618 [0,0,0,0,0,1|0,0,0]=1 193 B10R1.18 OC(=O)CN1CCOCC1 PI-38565 [0,0,0,0,0,1|2,0,0]=3 194 B10R1.348 B(C1=CCCCCC1)(O)O PI-18922 [0,0,0,0,0,1|1,0,2]=4 195 B10R1.348 C1CCCC(CC1)C(=O)O PI-20907 [0,0,0,0,0,1|0,0,0]=1 196 B10R1.348 CC(=O)N1CCNCCC1 PI-29781 [0,0,0,0,0,1|2,0,0]=3 197 B7R0.1 C(CCCBr)CCO PI-39099 [1,0,1,0,0,0|1,0,1]=4 198 B7R0.1 C(CCCS)CCO PI-40491 [1,0,1,0,0,0|1,0,1]=4 199 B7R0.1 CCCCCCCBr PI-44628 [1,0,1,0,0,0|1,0,1]=4 200 B7R0.1 CCCCCN=C=O PI-11407 [1,0,1,0,0,0|1,0,1]=4 201 B7R0.1 OCCCCCCCl PI-37141 [1,0,1,0,0,0|1,0,1]=4 202 B7R0.1 OCCCCCCN PI-40365 [1,0,1,0,0,0|1,0,1]=4 203 B7R0.4 BrCCCCC(=O)Cl PI-15616 [1,0,1,0,0,0|2,0,0]=4 204 B7R0.4 BrCCCCC(=O)O PI-11341 [1,0,1,0,0,0|1,0,0]=3 205 B7R0.4 C#CCCCC(O)=O PI-37286 [1,0,1,0,0,0|0,0,2]=4 206 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [1,0,1,0,0,0|1,0,1]=4 207 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [1,0,1,0,0,0|2,0,0]=4 208 B7R0.4 C(CNCC(=O)O)N PI-47160 [1,0,1,0,0,0|2,0,0]=4 209 B7R0.4 CC(=O)CCCCCl PI-28023 [1,0,1,0,0,0|2,0,0]=4 210 B7R0.4 CCCCCB(O)O PI-37261 [1,0,1,0,0,0|1,0,1]=4 211 B7R0.4 CCCCC[C@@H](C)O PI-49829 [1,0,1,0,0,0|1,0,1]=4 212 B7R0.4 CCCOCC(=O)O PI-32592 [1,0,1,0,0,0|1,0,0]=3 213 B7R0.4 NCCCCC(=O)O PI-30804 [1,0,1,0,0,0|1,0,0]=3 214 B7R0.4 OC(=O)CCCCN PI-40783 [1,0,1,0,0,0|1,0,0]=3 215 B7R0.5 C(CN)C(C(=O)O)N PI-18265 [1,0,1,0,0,0|2,0,0]=4 216 B7R0.5 C(CN)C(C(=O)O)N PI-18421 [1,0,1,0,0,0|2,0,0]=4 217 B7R0.5 C(CN)C(C(=O)O)N PI-45534 [1,0,1,0,0,0|2,0,0]=4 218 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [1,0,1,0,0,0|2,0,0]=4 219 B7R0.5 CCCC(C(=O)O)Br PI-44608 [1,0,1,0,0,0|1,0,0]=3 220 B7R0.5 CCCC(C(=O)O)N PI-13494 [1,0,1,0,0,0|1,0,0]=3 221 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [1,0,1,0,0,0|1,0,0]=3 222 B7R0.5 COCC(C(=O)O)N PI-14934 [1,0,1,0,0,0|2,0,0]=4 223 B7R0.5 COCC(C(=O)O)N PI-14935 [1,0,1,0,0,0|2,0,0]=4 224 B7R0.5 CSC[C@@H](C(=O)O)N PI-25076 [1,0,1,0,0,0|2,0,0]=4 225 B7R0.5 NC(CCBr)C(=O)O PI-36244 [1,0,1,0,0,0|2,0,0]=4 226 B7R0.5 NC(CCO)C(O)=O PI-41434 [1,0,1,0,0,0|2,0,0]=4 227 B7R0.5 NC(CCS)C(=O)O PI-27603 [1,0,1,0,0,0|2,0,0]=4 228 B7R0.5 NCCC(C(=O)O)N PI-27828 [1,0,1,0,0,0|2,0,0]=4 229 B7R0.5 N[C@@H](CCS)C(O)=O PI-37318 [1,0,1,0,0,0|2,0,0]=4 230 B7R0.5 N[C@H](C(=O)O)CCBr PI-40811 [1,0,1,0,0,0|2,0,0]=4 231 B7R0.5 O=C(O)[C@@H](N)CSC PI-41817 [1,0,1,0,0,0|2,0,0]=4 232 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [1,0,1,0,0,0|2,0,0]=4 233 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [1,0,1,0,0,0|2,0,0]=4 234 B7R0.12 CCCC(CO)CO PI-44018 [1,0,1,0,0,0|1,0,1]=4 235 B7R0.15 BrCC(CBr)C(=O)O PI-10928 [1,0,1,0,0,0|2,0,0]=4 236 B7R0.15 CCC(CC)C(=O)[O-] PI-26914 [1,0,1,0,0,0|0,0,1]=3 237 B7R0.15 CNC(CO)C(=O)O PI-43688 [1,0,1,0,0,0|2,0,0]=4 238 B7R1.3 BrC1CCCOC1 PI-35181 [2,0,0,0,0,0|2,0,0]=4 239 B7R1.3 BrC1CCOCC1 PI-35207 [2,0,0,0,0,0|2,0,0]=4 240 B7R1.3 C1CC(=O)COC1 PI-39263 [2,0,0,0,0,0|1,0,1]=4 241 B7R1.3 C1CC(CNC1)Br PI-13262 [2,0,0,0,0,0|2,0,0]=4 242 B7R1.3 C1CC(CNC1)F PI-48937 [2,0,0,0,0,0|2,0,0]=4 243 B7R1.3 C1CC(CNC1)N PI-11065 [2,0,0,0,0,0|2,0,0]=4 244 B7R1.3 C1CC(CNC1)N PI-27492 [2,0,0,0,0,0|2,0,0]=4 245 B7R1.3 C1CC(CNC1)O PI-10129 [2,0,0,0,0,0|1,0,0]=3 246 B7R1.3 C1CC(CNC1)O PI-11069 [2,0,0,0,0,0|1,0,0]=3 247 B7R1.3 C1CC(CNC1)O PI-31252 [2,0,0,0,0,0|1,0,0]=3 248 B7R1.3 C1CCN(CC1)N PI-34077 [2,0,0,0,0,0|2,0,0]=4 249 B7R1.3 C1CCN(CC1)N PI-43331 [2,0,0,0,0,0|2,0,0]=4 250 B7R1.3 C1CCNC(=O)C1 PI-40996 [2,0,0,0,0,0|1,0,1]=4 251 B7R1.3 C1CCNC(C1)Br PI-13261 [2,0,0,0,0,0|2,0,0]=4 252 B7R1.3 C1CCNC(C1)Cl PI-13259 [2,0,0,0,0,0|2,0,0]=4 253 B7R1.3 C1CCNC(C1)O PI-11062 [2,0,0,0,0,0|1,0,0]=3 254 B7R1.3 C1CNCCC1=O PI-43209 [2,0,0,0,0,0|1,0,1]=4 255 B7R1.3 C1CNCCC1Br PI-34736 [2,0,0,0,0,0|2,0,0]=4 256 B7R1.3 C1CNCCC1Cl PI-13260 [2,0,0,0,0,0|2,0,0]=4 257 B7R1.3 C1CNCCC1F PI-48939 [2,0,0,0,0,0|2,0,0]=4 258 B7R1.3 C1CNCCC1N PI-12453 [2,0,0,0,0,0|2,0,0]=4 259 B7R1.3 C1CNCCC1N PI-43332 [2,0,0,0,0,0|2,0,0]=4 260 B7R1.3 C1CNCCC1O PI-43307 [2,0,0,0,0,0|1,0,0]=3 261 B7R1.3 C1COC(CN1)O PI-41771 [2,0,0,0,0,0|2,0,0]=4 262 B7R1.3 C1COCCC1=O PI-47224 [2,0,0,0,0,0|1,0,1]=4 263 B7R1.3 C1COCCC1Cl PI-45093 [2,0,0,0,0,0|2,0,0]=4 264 B7R1.3 C1COCCC1I PI-45407 [2,0,0,0,0,0|2,0,0]=4 265 B7R1.3 C1C[C@@H](CNC1)F PI-48938 [2,0,0,0,0,0|2,0,0]=4 266 B7R1.3 C=C1CCNCC1 PI-41106 [2,0,0,0,0,0|1,0,1]=4 267 B7R1.3 C=C1CCOCC1 PI-42723 [2,0,0,0,0,0|1,0,1]=4 268 B7R1.3 C[C@H]1CCCCN1 PI-48288 [2,0,0,0,0,0|1,0,1]=4 269 B7R1.3 NC1CCCCN1 PI-13252 [2,0,0,0,0,0|2,0,0]=4 270 B7R1.3 NC1CCCNC1 PI-13253 [2,0,0,0,0,0|2,0,0]=4 271 B7R1.3 NC1CCOCC1 PI-14135 [2,0,0,0,0,0|2,0,0]=4 272 B7R1.3 NC1CCOCC1 PI-39008 [2,0,0,0,0,0|2,0,0]=4 273 B7R1.3 N[C@@H]1CCCNC1 PI-27493 [2,0,0,0,0,0|2,0,0]=4 274 B7R1.3 N[C@@H]1CCCNC1 PI-38031 [2,0,0,0,0,0|2,0,0]=4 275 B7R1.3 O1CCCC(C1)O PI-42688 [2,0,0,0,0,0|1,0,0]=3 276 B7R1.3 O=C1CCCCO1 PI-37295 [2,0,0,0,0,0|1,0,1]=4 277 B7R1.3 O=C1CCCNC1 PI-35479 [2,0,0,0,0,0|1,0,1]=4 278 B7R1.3 O=C1CCNCC1 PI-12489 [2,0,0,0,0,0|1,0,1]=4 279 B7R1.3 O=C1CCNCC1 PI-37237 [2,0,0,0,0,0|1,0,1]=4 280 B7R1.3 O=C1CCOCC1 PI-13776 [2,0,0,0,0,0|1,0,1]=4 281 B7R1.3 O=C1CCSCC1 PI-40196 [2,0,0,0,0,0|1,0,1]=4 282 B7R1.3 OC1CCNCC1 PI-31377 [2,0,0,0,0,0|1,0,0]=3 283 B7R1.3 OC1CCOCC1 PI-37145 [2,0,0,0,0,0|1,0,0]=3 284 B7R1.3 O[C@H]1CCCNC1 PI-10130 [2,0,0,0,0,0|1,0,0]=3 285 B9R0.1 COC(=O)CCCC(=O)O PI-39132 [0,1,1,0,0,0|1,0,1]=4 286 B9R0.2 BrCCCCCCC(=O)O PI-36573 [0,1,1,0,0,0|0,0,0]=2 287 B9R0.2 CC(=O)OCCCCCCl PI-44263 [0,1,1,0,0,0|2,0,0]=4 288 B9R0.2 CCCCCCNC(=S)N PI-20722 [0,1,1,0,0,0|1,1,0]=4 289 B9R0.2 CCCCCCOC(=O)Cl PI-41139 [0,1,1,0,0,0|1,0,0]=3 290 B9R0.2 NCCCCCCC(=O)O PI-11340 [0,1,1,0,0,0|0,0,0]=2 291 B9R0.2 O=C(O)CCCCCCO PI-37225 [0,1,1,0,0,0|0,0,0]=2 292 B9R0.4 CCCCC(=O)CC(=O)C PI-36799 [0,1,1,0,0,0|1,0,1]=4 293 B9R0.4 CSCCC(CC(=O)O)N PI-43861 [0,1,1,0,0,0|1,0,0]=3 294 B9R0.38 CCCCCCP(=O)(O)O PI-40609 [0,1,1,0,0,0|1,0,0]=3 295 B9R0.38 CCCCCCS(=O)(=O)Cl PI-20719 [0,1,1,0,0,0|1,0,1]=4 296 B9R0.38 CCCCCCS(=O)(=O)[O-] PI-36859 [0,1,1,0,0,0|1,0,1]=4 297 B9R0.46 CCCCCCC(=O)NN PI-50289 [0,1,1,0,0,0|1,0,0]=3 298 B9R0.46 CCCCCCC(CO)O PI-44204 [0,1,1,0,0,0|0,0,2]=4 299 B9R0.46 COC(=O)CCCCCO PI-45931 [0,1,1,0,0,0|1,0,0]=3 300 B9R0.46 O=C(OC)CCCCCBr PI-40016 [0,1,1,0,0,0|1,0,0]=3 301 B9R0.47 C(CCN)CC(C(=O)O)N PI-14281 [0,1,1,0,0,0|1,0,0]=3 302 B9R0.47 CCCCCC(N)C(=O)O PI-17287 [0,1,1,0,0,0|0,0,0]=2 303 B9R0.47 CCSCCC(C(=O)O)N PI-38397 [0,1,1,0,0,0|1,0,0]=3 304 B9R0.47 NCCCC[C@@H](N)C(=O)O PI-14280 [0,1,1,0,0,0|1,0,0]=3 305 B9R0.47 NCCCC[C@H](C(=O)O)N PI-22775 [0,1,1,0,0,0|1,0,0]=3 306 B9R0.47 O=C(O)[C@@H](N)CCCCN PI-41533 [0,1,1,0,0,0|1,0,0]=3 307 B9R0.55 CC(=O)NCCCC(=O)O PI-26540 [0,1,1,0,0,0|1,0,1]=4 308 B9R0.7 CC(=O)SC[C@@H](C(=O)O)C PI-32348 [0,1,1,0,0,0|1,0,1]=4 309 B9R0.7 CS(=O)CCC(C(=O)O)N PI-17903 [0,1,1,0,0,0|2,0,0]=4 310 B9R0.7 N[C@@H](CCC(C)C)C(O)=O PI-37204 [0,1,1,0,0,0|1,0,0]=3 311 B9R0.8 CCCCC(C(=O)OC)Br PI-12723 [0,1,1,0,0,0|1,0,0]=3 312 B9R0.8 COC(=O)C(CCCBr)Br PI-32636 [0,1,1,0,0,0|2,0,0]=4 313 B9R0.8 COC(=O)C(CCSC)N PI-25385 [0,1,1,0,0,0|2,0,0]=4 314 B9R0.8 COC(=O)C(CCSC)N PI-44538 [0,1,1,0,0,0|2,0,0]=4 315 B9R0.13 CCCCC(C(=O)O)NC PI-43569 [0,1,1,0,0,0|0,0,0]=2 316 B9R0.13 CCCCC(CC)C(=O)Cl PI-49162 [0,1,1,0,0,0|1,0,0]=3 317 B9R0.13 CCCCC(CC)C(=O)[O-] PI-12342 [0,1,1,0,0,0|0,0,1]=3 318 B9R0.13 CCCCC(CC)C(=O)[O-] PI-12343 [0,1,1,0,0,0|0,0,1]=3 319 B9R0.13 CNC(CCCN)C(=O)O PI-43554 [0,1,1,0,0,0|1,0,0]=3 320 B9R0.13 CNC(CCCN)C(=O)O PI-43900 [0,1,1,0,0,0|1,0,0]=3 321 B9R0.51 CCCCC(C)(C)C(=O)O PI-21952 [0,1,1,0,0,0|0,0,0]=2 322 B9R0.15 CCCC(C(=O)O)CCC PI-21725 [0,1,1,0,0,0|0,0,0]=2 323 B9R0.15 CCCC(C(=O)[O-])CCC PI-12918 [0,1,1,0,0,0|0,0,1]=3 324 B9R0.15 CCCC(CCC)C(=O)O PI-12993 [0,1,1,0,0,0|0,0,0]=2 325 B9R0.33 CCCC(C(=O)O)C(=O)O PI-12068 [0,1,1,0,0,0|1,0,1]=4 326 B9R0.39 CC(C)CC(C(=O)O)NC PI-43733 [0,1,1,0,0,0|1,0,0]=3 327 B9R0.39 CCC(C(=O)O)NC(=O)C PI-42198 [0,1,1,0,0,0|1,0,1]=4 328 B9R0.39 CCC(C(=O)O)NC(=O)C PI-42199 [0,1,1,0,0,0|1,0,1]=4 329 B9R1.1 COC1CCC(CC1)O PI-44528 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.1 O=C1CCC(CO)CC1 PI-41917 [1,1,0,0,0,0|0,0,2]=4 331 B9R1.1 O=CC1CCC(CC1)=O PI-36571 [1,1,0,0,0,0|0,0,1]=3 332 B9R1.1 OCC1CCN(C)CC1 PI-27324 [1,1,0,0,0,0|1,0,1]=4 333 B9R1.2 C1CNC(CC1C=O)Br PI-13267 [1,1,0,0,0,0|1,0,0]=3 334 B9R1.2 CN1CCCC(C1)CO PI-46014 [1,1,0,0,0,0|1,0,1]=4 335 B9R1.8 BrCCC1CCCCC1 PI-17338 [1,1,0,0,0,0|1,0,1]=4 336 B9R1.8 C1CCC(CC1)OCCl PI-47095 [1,1,0,0,0,0|1,0,1]=4 337 B9R1.8 C1CNCCC1CCO PI-33986 [1,1,0,0,0,0|1,0,1]=4 338 B9R1.8 C1CNCCC1CCO PI-49464 [1,1,0,0,0,0|1,0,1]=4 339 B9R1.8 C1COCCC1CC=O PI-44982 [1,1,0,0,0,0|1,0,0]=3 340 B9R1.8 COCC1CCCCN1 PI-43215 [1,1,0,0,0,0|1,0,1]=4 341 B9R1.8 COCC1CCCCN1 PI-43325 [1,1,0,0,0,0|1,0,1]=4 342 B9R1.8 COCC1CCNCC1 PI-43195 [1,1,0,0,0,0|1,0,1]=4 343 B9R1.8 COCC1CCNCC1 PI-43327 [1,1,0,0,0,0|1,0,1]=4 344 B9R1.15 CN1CCCCC1CO PI-43934 [1,1,0,0,0,0|1,0,1]=4 345 B9R1.15 OCC1CNCCC1O PI-36258 [1,1,0,0,0,0|1,0,1]=4 346 B9R1.118 C#CC1(CCCCC1)O PI-43968 [1,1,0,0,0,0|1,0,1]=4 347 B9R1.118 C1CCC(CC1)(CN)O PI-17134 [1,1,0,0,0,0|1,0,1]=4 348 B9R1.118 CC1(CCCCC1)CBr PI-36358 [1,1,0,0,0,0|1,0,1]=4 349 B9R1.118 CCC1(O)CCCCC1 PI-29293 [1,1,0,0,0,0|1,0,1]=4 350 B9R1.11 C1CCN(C1)C(=O)CCl PI-50573 [0,1,0,0,1,0|2,0,0]=4 351 B9R1.11 COC(=O)C1=CCCC1 PI-38160 [0,1,0,0,1,0|0,0,2]=4 352 B9R1.11 COC(=O)C1CC=CC1 PI-37831 [0,1,0,0,1,0|0,0,2]=4 353 B9R1.11 COC(=O)C1CCCN1 PI-14284 [0,1,0,0,1,0|1,0,0]=3 354 B9R1.11 COC(=O)C1CCCO1 PI-13051 [0,1,0,0,1,0|1,0,0]=3 355 B9R1.11 COC(=O)C1CCNC1 PI-27313 [0,1,0,0,1,0|1,0,0]=3 356 B9R1.11 COC(=O)[C@@H]1CCCN1 PI-14283 [0,1,0,0,1,0|1,0,0]=3 357 B9R1.11 O=C(C1CNCC1)OC PI-46627 [0,1,0,0,1,0|1,0,0]=3 358 B9R1.11 O=C(C1COCC1)OC PI-42697 [0,1,0,0,1,0|1,0,0]=3 359 B9R1.35 C1C(C=CC1N)C(=O)O PI-17016 [0,1,0,0,1,0|0,0,2]=4 360 B9R1.35 C1C(CNC1C(=O)O)F PI-34564 [0,1,0,0,1,0|1,0,0]=3 361 B9R1.35 C1C(CNC1C(=O)O)F PI-34565 [0,1,0,0,1,0|1,0,0]=3 362 B9R1.35 C1C(CNC1C(=O)O)F PI-34566 [0,1,0,0,1,0|1,0,0]=3 363 B9R1.35 C1C(CNC1C(=O)O)O PI-14276 [0,1,0,0,1,0|1,0,0]=3 364 B9R1.35 C1C(CNC1C(=O)O)O PI-15465 [0,1,0,0,1,0|1,0,0]=3 365 B9R1.35 C1CC(=O)NC1C(=O)O PI-10056 [0,1,0,0,1,0|1,0,1]=4 366 B9R1.35 C1CC(CC1C(=O)O)N PI-17015 [0,1,0,0,1,0|0,0,0]=2 367 B9R1.35 C1[C@H](CN[C@@H]1C(=O)N)O PI-48950 [0,1,0,0,1,0|2,0,0]=4 368 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)F PI-48932 [0,1,0,0,1,0|1,0,0]=3 369 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O PI-48947 [0,1,0,0,1,0|1,0,0]=3 370 B9R1.35 CC(=O)N1CC[C@@H](C1)N PI-40973 [0,1,0,0,1,0|2,0,0]=4 371 B9R1.35 CC(=O)N1CC[C@H](C1)N PI-40974 [0,1,0,0,1,0|2,0,0]=4 372 B9R1.35 O=C1CCC(C1)C(=O)O PI-34867 [0,1,0,0,1,0|0,0,1]=3 373 B9R1.35 O=C1CC[C@H](N1)C(=O)O PI-33313 [0,1,0,0,1,0|1,0,1]=4 374 B9R1.35 O=C1CC[C@H](O1)C(=O)O PI-39065 [0,1,0,0,1,0|1,0,1]=4 375 B9R1.35 O=C1CNC(C1)C(=O)O PI-36300 [0,1,0,0,1,0|1,0,1]=4 376 B9R1.35 O=[C@@](O)[C@@H]1NC[C@@H](O)C1 PI-37073 [0,1,0,0,1,0|1,0,0]=3 377 B9R1.35 O[C@@H]1CN[C@@H](C1)C(=O)O PI-15464 [0,1,0,0,1,0|1,0,0]=3 378 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O PI-15466 [0,1,0,0,1,0|1,0,0]=3 379 B9R1.41 C1CC(C(C1)N)C(=O)O PI-36305 [0,1,0,0,1,0|0,0,0]=2 380 B9R1.41 CN1CCCC1C(=O)O PI-43187 [0,1,0,0,1,0|1,0,0]=3 381 B9R1.163 C1CCC(C1)(C(=O)N)N PI-12587 [0,1,0,0,1,0|1,0,0]=3 382 B9R1.163 C1CCC(C1)(C(=O)O)N PI-30681 [0,1,0,0,1,0|0,0,0]=2 383 B9R1.163 CC1(CCCN1)C(=O)O PI-41289 [0,1,0,0,1,0|1,0,0]=3 384 B9R1.163 O=C(C1(N)COCC1)O PI-40281 [0,1,0,0,1,0|1,0,0]=3 385 B9R1.163 OC(=O)C1(C)COCC1 PI-39236 [0,1,0,0,1,0|1,0,0]=3 386 B9R1.163 OC(=O)[C@]1(C)CCCN1 PI-41288 [0,1,0,0,1,0|1,0,0]=3 387 B11R1.20 CC(=O)NC1CCC(=O)CC1 PI-33791 [0,1,0,0,0,1|1,0,1]=4 388 B11R1.20 CC(=O)OC1CCN(CC1)C PI-34756 [0,1,0,0,0,1|2,0,0]=4 389 B11R1.20 CN1CCC(CC1)CC(=O)O PI-36971 [0,1,0,0,0,1|1,0,0]=3 390 B11R1.20 OC1CCC(CC1)NC(=O)C PI-39206 [0,1,0,0,0,1|1,0,0]=3 391 B11R1.36 C1CCC(CC1)C(C(=O)O)N PI-18187 [0,1,0,0,0,1|0,0,0]=2 392 B11R1.36 C1CCC(CC1)C(C(=O)O)N PI-25150 [0,1,0,0,0,1|0,0,0]=2 393 B11R1.36 C1CCC(CC1)C(C(=O)O)N PI-42144 [0,1,0,0,0,1|0,0,0]=2 394 B11R1.36 C1CCC(CC1)C(C(=O)O)N PI-42152 [0,1,0,0,0,1|0,0,0]=2 395 B11R1.36 C1CCC(CC1)C(C(=O)O)O PI-17832 [0,1,0,0,0,1|0,0,0]=2 396 B11R1.36 C1CCC(CC1)C(C(=O)O)O PI-30775 [0,1,0,0,0,1|0,0,0]=2 397 B11R1.36 C1CN(CCN1)C(=O)C(=O)O PI-14679 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.36 O=C(O)[C@@H](N)C1CCCCC1 PI-42151 [0,1,0,0,0,1|0,0,0]=2 399 B11R1.40 C1CCC(CC1)CC(CO)N PI-27323 [0,1,0,0,0,1|1,0,1]=4 400 B11R1.40 C1CCC(CC1)NC(=O)CCl PI-17332 [0,1,0,0,0,1|1,0,0]=3 401 B11R1.40 COC(=O)CC1CNCCN1 PI-34771 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.40 COC(=O)CN1CCOCC1 PI-30523 [0,1,0,0,0,1|2,0,0]=4 403 B11R1.3 C1CC(CCC1CO)C(=O)O PI-43268 [0,2,0,0,0,0|0,0,0]=2 404 B11R1.3 CC(=O)N1CCC(CC1)NC PI-43155 [0,2,0,0,0,0|2,0,0]=4 405 B11R1.3 CC(N1CCC(CO)CC1)=O PI-42690 [0,2,0,0,0,0|2,0,0]=4 406 B11R1.3 CCC1CCC(CC1)C(=O)O PI-27846 [0,2,0,0,0,0|0,0,0]=2 407 B11R1.3 CCN1CCC(CC1)C(=O)O PI-43354 [0,2,0,0,0,0|1,0,0]=3 408 B11R1.3 NC[C@@H]1CC[C@H](CC1)C(=O)O PI-38009 [0,2,0,0,0,0|0,0,0]=2 409 B11R1.22 COC(=O)C1CCC(CC1)N PI-48372 [0,2,0,0,0,0|0,0,0]=2 410 B11R1.22 COC(=O)C1CCC(CC1)O PI-49430 [0,2,0,0,0,0|0,0,0]=2 411 B11R1.22 COC(=O)[C@@H]1CC[C@@H](CC1)N PI-38435 [0,2,0,0,0,0|0,0,0]=2 412 B11R1.727 C1CS(=O)(=O)CCC1C(=O)O PI-45461 [0,2,0,0,0,0|1,0,0]=3 413 B11R1.727 OC(=O)C1CCC(CC1)(F)F PI-33757 [0,2,0,0,0,0|0,0,0]=2 414 B11R1.16 CC(C1CCCCC1)N=C=O PI-26980 [0,2,0,0,0,0|1,0,1]=4 415 B11R1.16 CC(C1CCCCC1)N=C=O PI-26981 [0,2,0,0,0,0|1,0,1]=4 416 B11R1.16 CCOC(=O)C1CCCCC1 PI-30479 [0,2,0,0,0,0|0,0,0]=2 417 B11R1.16 CCOC(=O)C1CCCCN1 PI-25203 [0,2,0,0,0,0|1,0,0]=3 418 B11R1.16 CCOC(=O)C1CCCCN1 PI-27902 [0,2,0,0,0,0|1,0,0]=3 419 B11R1.16 CCOC(=O)C1CCCNC1 PI-16598 [0,2,0,0,0,0|1,0,0]=3 420 B11R1.16 CCOC(=O)C1CCCNC1 PI-25608 [0,2,0,0,0,0|1,0,0]=3 421 B11R1.16 CCOC(=O)C1CCCNC1 PI-31082 [0,2,0,0,0,0|1,0,0]=3 422 B11R1.16 CCOC(=O)C1CCCNC1 PI-33283 [0,2,0,0,0,0|1,0,0]=3 423 B11R1.16 CCOC(=O)C1CCCNC1 PI-33284 [0,2,0,0,0,0|1,0,0]=3 424 B11R1.16 CCOC(=O)C1CCNCC1 PI-27083 [0,2,0,0,0,0|1,0,0]=3 425 B11R1.16 CCOC(=O)C1CSCCN1 PI-17983 [0,2,0,0,0,0|2,0,0]=4 426 B11R1.16 CCOC(=O)C1SCCCS1 PI-11231 [0,2,0,0,0,0|2,0,0]=4 427 B11R1.16 CCOC(=O)N1CCNCC1 PI-16482 [0,2,0,0,0,0|2,0,0]=4 428 B11R1.23 CN1CCCC(C1)C(=O)OC PI-25233 [0,2,0,0,0,0|1,0,0]=3 429 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N PI-49239 [0,2,0,0,0,0|0,0,0]=2 430 B11R1.222 O=C(C1CNCCC1=O)OC PI-25044 [0,2,0,0,0,0|1,0,1]=4 431 B11R1.878 COC(=O)C1(CCOCC1)N PI-48863 [0,2,0,0,0,0|1,0,0]=3 432 B11R1.573 C1CCC(CC1)(N)P(=O)(O)O PI-30841 [0,2,0,0,0,0|1,0,0]=3 433 B11R1.74 C1C(CC(=O)CC1=O)C(=O)O PI-49406 [0,2,0,0,0,0|0,0,2]=4 434 B11R1.667 CC1CCCC(N)(C1)C(=O)O PI-36240 [0,2,0,0,0,0|0,0,0]=2 435 B11R1.1074 C1COCCC1(C#N)C(=O)O PI-45408 [0,2,0,0,0,0|1,0,0]=3 436 B9R1.7 CCCC1CC(=O)OC1 PI-44369 [0,0,1,1,0,0|2,0,0]=4 437 B9R1.13 C1CC(NC1)CC(=O)O PI-27684 [0,0,1,1,0,0|1,0,0]=3 438 B9R1.13 C1CC(NC1)CC(=O)O PI-43782 [0,0,1,1,0,0|1,0,0]=3 439 B9R1.13 C1COCC1CC(=O)O PI-45427 [0,0,1,1,0,0|1,0,0]=3 440 B9R1.13 ClC(=O)OC1CCCC1 PI-24448 [0,0,1,1,0,0|2,0,0]=4 441 B9R1.50 C1CCCNC(=O)CC1 PI-38929 [0,0,1,1,0,0|1,0,0]=3 442 B9R1.84 C1CC(C1)CCC(=O)O PI-33316 [0,0,1,1,0,0|0,0,0]=2 443 B9R1.85 C1CC1COCC(=O)O PI-48044 [0,0,1,1,0,0|1,0,0]=3 444 B9R1.5 C1CCNC(=O)C(C1)N PI-27340 [0,0,1,1,0,0|2,0,0]=4 445 B9R1.5 C1CCNC(=O)C(C1)N PI-48189 [0,0,1,1,0,0|2,0,0]=4 446 B9R1.5 CN1CCCCCC1=O PI-15330 [0,0,1,1,0,0|2,0,0]=4 447 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43724 [0,0,1,1,0,0|1,0,0]=3 448 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43790 [0,0,1,1,0,0|1,0,0]=3 449 B9R1.110 C1CC(C1)C(C(=O)O)N PI-43791 [0,0,1,1,0,0|1,0,0]=3 450 B9R1.112 C1CC1CC(C(=O)O)N PI-43446 [0,0,1,1,0,0|1,0,0]=3 451 B9R1.112 N[C@H](C(=O)O)CC1CC1 PI-21863 [0,0,1,1,0,0|1,0,0]=3 452 B9R2.39 C1CC2CC1CC2O PI-47124 [0,0,0,1,1,0|1,0,1]=4 453 B11R2.845 C1C2CC(C1C=C2)C(=O)O PI-33990 [0,1,0,1,0,0|0,0,2]=4 454 B11R2.845 [O-]C(C1CC2CCC1C2)=O PI-48100 [0,1,0,1,0,0|0,0,1]=3 455 B7R1.1 C1CCC(C1)CO PI-44131 [1,0,0,0,1,0|0,0,1]=3 456 B7R1.1 C1CCC(C1)ON PI-47243 [1,0,0,0,1,0|2,0,0]=4 457 B7R1.1 C1CCN(C1)N=O PI-47048 [1,0,0,0,1,0|2,0,0]=4 458 B7R1.1 C1CNCC1CO PI-40189 [1,0,0,0,1,0|1,0,1]=4 459 B7R1.1 C1CNCC1CO PI-40190 [1,0,0,0,1,0|1,0,1]=4 460 B7R1.1 C1COCC1CO PI-41224 [1,0,0,0,1,0|1,0,1]=4 461 B7R1.1 NNC1CCCC1 PI-36366 [1,0,0,0,1,0|2,0,0]=4 462 B7R1.1 NNC1CCCC1 PI-38997 [1,0,0,0,1,0|2,0,0]=4 463 B7R1.1 O=CC1=CCCC1 PI-39104 [1,0,0,0,1,0|0,0,2]=4 464 B7R1.1 OC[C@@H]1CCCN1 PI-16636 [1,0,0,0,1,0|1,0,1]=4 465 B7R1.1 OC[C@H]1CCCN1 PI-16475 [1,0,0,0,1,0|1,0,1]=4 466 B7R1.18 C1C(CN1)C(=O)O PI-49248 [0,0,0,0,2,0|1,0,0]=3 467 B7R1.18 C1CC(C1)C(=O)O PI-16540 [0,0,0,0,2,0|0,0,0]=2 468 B7R1.18 ClC(=O)C1CCC1 PI-13205 [0,0,0,0,2,0|1,0,0]=3 469 B7R1.18 OC(=O)C1CCN1 PI-25003 [0,0,0,0,2,0|1,0,0]=3 470 B7R1.18 OC(=O)C1CNC1 PI-14151 [0,0,0,0,2,0|1,0,0]=3 471 B7R1.18 OC(=O)[C@@H]1CCN1 PI-14152 [0,0,0,0,2,0|1,0,0]=3 472 B7R1.18 OC(=O)[C@H]1CCN1 PI-25834 [0,0,0,0,2,0|1,0,0]=3 473 B9R1.89 C1CNCCN(C1)C=O PI-34065 [1,0,0,0,0,1|1,0,0]=3 474 B11R1.91 C1CCC(CC1)CCC(=O)O PI-44417 [0,0,0,0,0,2|0,0,0]=2 475 B11R1.742 C1CCC=C(CC1)CC(=O)[O-] PI-40737 [0,0,0,0,0,2|0,0,2]=4