0 B7R1.3 C1CC(=O)CNC1 AB27650 [0,0,0,0,0,0|1,0,1]=2 1 B7R1.3 C1CC(=O)CNC1 PB26241 [0,0,0,0,0,0|1,0,1]=2 2 B7R1.3 C1CC(=O)COC1 PB27461 [0,0,0,0,0,0|1,0,1]=2 3 B7R1.3 C1CC(=O)CSC1 PB28980 [0,0,0,0,0,0|1,0,1]=2 4 B7R1.3 C1CC(CNC1)F PB33693 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.3 C1CC(CNC1)O PB27381 [0,0,0,0,0,0|1,0,3]=4 6 B7R1.3 C1CC(CNC1)S PB34789 [0,0,0,0,0,0|1,1,2]=4 7 B7R1.3 C1CC(COC1)Br MB04535 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.3 C1CC(COC1)N PB30901 [0,0,0,0,0,0|2,0,2]=4 9 B7R1.3 C1CC(COC1)O PB32182 [0,0,0,0,0,0|1,0,3]=4 10 B7R1.3 C1CCNC(C1)O MB03551 [0,0,0,0,0,0|1,0,3]=4 11 B7R1.3 C1CCO[C@@H](C1)N MB06981 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.3 C1CCO[C@H](C1)N MB06978 [0,0,0,0,0,0|2,0,2]=4 13 B7R1.3 C1CNC(=O)CN1 PB23229 [0,0,0,0,0,0|2,0,1]=3 14 B7R1.3 C1CNCCC1=O PB32095 [0,0,0,0,0,0|1,0,2]=3 15 B7R1.3 C1COC(=O)CN1 AB71646 [0,0,0,0,0,0|2,0,1]=3 16 B7R1.3 C1COCC(=O)N1 PB29100 [0,0,0,0,0,0|2,0,1]=3 17 B7R1.3 C1COCC(=S)N1 AB72718 [0,0,0,0,0,0|2,1,1]=4 18 B7R1.3 C1COCC=C1I AB69543 [0,0,0,0,0,0|2,0,1]=3 19 B7R1.3 C1COCCC1=O PB24536 [0,0,0,0,0,0|1,0,2]=3 20 B7R1.3 C1CSCCC1=O PB25896 [0,0,0,0,0,0|1,0,2]=3 21 B7R1.3 C1C[C@@H](CNC1)F PB24269 [0,0,0,0,0,0|2,0,2]=4 22 B7R1.3 C1C[C@@H](CNC1)N AB15031 [0,0,0,0,0,0|2,0,2]=4 23 B7R1.3 C1C[C@@H](CNC1)O PB26394 [0,0,0,0,0,0|1,0,3]=4 24 B7R1.3 C1C[C@H](CNC1)F PB38654 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.3 C1C[C@H](CNC1)N AB29962 [0,0,0,0,0,0|2,0,2]=4 26 B7R1.3 C1C[C@H](CNC1)O PB20930 [0,0,0,0,0,0|1,0,3]=4 27 B7R1.3 C1C[C@H](CNC1)O PB25197 [0,0,0,0,0,0|1,0,3]=4 28 B7R1.3 CC1CCCNC1 AB00557 [0,0,0,0,0,0|2,0,2]=4 29 B7R1.3 Cc1cccnn1 PB33649 [0,0,0,0,0,0|3,0,1]=4 30 B7R1.3 Cc1ccncn1 PB17038 [0,0,0,0,0,0|3,0,1]=4 31 B7R1.3 Cc1ccnnc1 PB24546 [0,0,0,0,0,0|3,0,1]=4 32 B7R1.3 c1cc(cnc1)Br AB00739 [0,0,0,0,0,0|2,0,2]=4 33 B7R1.3 c1cc(cnc1)I AB01382 [0,0,0,0,0,0|2,0,2]=4 34 B7R1.3 c1cc(cnc1)[O-] MB00567 [0,0,0,0,0,0|1,0,3]=4 35 B7R1.3 c1cc(nnc1)Br MB08580 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.3 c1cc(nnc1)Cl AB30021 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.3 c1cc(nnc1)Cl PB34726 [0,0,0,0,0,0|3,0,1]=4 38 B7R1.3 c1cc(nnc1)N PB17217 [0,0,0,0,0,0|3,0,1]=4 39 B7R1.3 c1cc(nnc1)O PB32258 [0,0,0,0,0,0|2,0,2]=4 40 B7R1.3 c1ccnc(c1)Br AB00627 [0,0,0,0,0,0|2,0,2]=4 41 B7R1.3 c1cnccc1Br AB05093 [0,0,0,0,0,0|2,0,2]=4 42 B7R1.3 c1cnccc1I AB10861 [0,0,0,0,0,0|2,0,2]=4 43 B7R1.3 c1cnccc1O PB17041 [0,0,0,0,0,0|1,0,3]=4 44 B7R1.3 c1cncnc1Br PB10690 [0,0,0,0,0,0|3,0,1]=4 45 B7R1.3 c1cncnc1Cl AB43600 [0,0,0,0,0,0|3,0,1]=4 46 B7R1.3 c1cncnc1Cl PB13479 [0,0,0,0,0,0|3,0,1]=4 47 B7R1.3 c1cncnc1N PB11581 [0,0,0,0,0,0|3,0,1]=4 48 B7R1.3 c1cncnc1O PB32093 [0,0,0,0,0,0|2,0,2]=4 49 B7R1.3 c1cnncc1Br AB48350 [0,0,0,0,0,0|3,0,1]=4 50 B7R1.3 c1cnncc1Cl AB50535 [0,0,0,0,0,0|3,0,1]=4 51 B7R1.3 c1cnncc1I AB70137 [0,0,0,0,0,0|3,0,1]=4 52 B7R1.3 c1cnncc1N PB29051 [0,0,0,0,0,0|3,0,1]=4 53 B7R1.3 c1cnncc1N PB39062 [0,0,0,0,0,0|3,0,1]=4 54 B6R1.1 C1CNCC=C1 PB15670 [1,0,0,0,0,0|1,0,1]=3 55 B8R1.2 C1CC(COC1)C=O AB16155 [0,1,0,0,0,0|1,0,2]=4 56 B8R1.2 C1CC(OC=C1)C=O PB24581 [0,1,0,0,0,0|1,0,2]=4 57 B8R1.2 C1CCC(=CC1)CBr PB28658 [0,1,0,0,0,0|1,0,1]=3 58 B8R1.2 C1CCNC(C1)C=O AB52540 [0,1,0,0,0,0|1,0,2]=4 59 B8R1.2 C1CCOC(C1)C=O MB05934 [0,1,0,0,0,0|1,0,2]=4 60 B8R1.2 COC1=CCOCC1 PB24535 [0,1,0,0,0,0|1,0,2]=4 61 B8R1.2 c1cc(cnc1)C=O AB00744 [0,1,0,0,0,0|1,0,2]=4 62 B8R1.2 c1cc(nnc1)C=O PB20119 [0,1,0,0,0,0|2,0,1]=4 63 B8R1.2 c1ccnc(c1)C=O AB00680 [0,1,0,0,0,0|1,0,2]=4 64 B8R1.2 c1cnccc1C=O AB00754 [0,1,0,0,0,0|1,0,2]=4 65 B8R1.2 c1cncnc1C=O AB16150 [0,1,0,0,0,0|2,0,1]=4 66 B8R1.2 c1cnncc1C=O PB17346 [0,1,0,0,0,0|2,0,1]=4 67 B8R1.3 C1CC(=O)CCC1N AB26267 [0,1,0,0,0,0|0,0,2]=3 68 B8R1.3 C1CC(=O)NCC1N PB22229 [0,1,0,0,0,0|1,0,1]=3 69 B8R1.3 CC1CNC(=O)CN1 AB37204 [0,1,0,0,0,0|2,0,1]=4 70 B8R1.3 CC1CNC(=O)CO1 AB71787 [0,1,0,0,0,0|2,0,1]=4 71 B8R1.3 CN1CCC(=CC1)I AB70135 [0,1,0,0,0,0|2,0,1]=4 72 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [0,1,0,0,0,0|2,0,1]=4 73 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [0,1,0,0,0,0|2,0,1]=4 74 B8R1.3 Cc1ccc(=O)[nH]n1 PB21643 [0,1,0,0,0,0|2,0,1]=4 75 B8R1.4 C1C(=CC=NC1=O)Br PB17828 [0,1,0,0,0,0|1,0,2]=4 76 B8R1.4 C1C(=O)COCC1=O PB14653 [0,1,0,0,0,0|1,0,1]=3 77 B8R1.4 C1C(=O)CSCC1=O PB15832 [0,1,0,0,0,0|1,0,1]=3 78 B8R1.4 C1C=NC(=NC1=O)N PB29007 [0,1,0,0,0,0|2,0,1]=4 79 B8R1.4 C1CC(=CC(=O)C1)I MB07038 [0,1,0,0,0,0|0,0,0]=1 80 B8R1.4 C1CNC(=O)CC1=O PB20308 [0,1,0,0,0,0|1,0,1]=3 81 B8R1.4 C1CNC(=O)CC1N PB11631 [0,1,0,0,0,0|1,0,1]=3 82 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [0,1,0,0,0,0|1,0,1]=3 83 B8R1.4 C1CNC(=O)OC1=O AB27597 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,1,0,0,0,0|1,0,2]=4 85 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,1,0,0,0,0|1,0,2]=4 86 B8R1.4 CC1CNCC(=O)N1 AB37299 [0,1,0,0,0,0|2,0,1]=4 87 B8R1.4 CN1CCCC(=O)C1 AB39316 [0,1,0,0,0,0|1,0,1]=3 88 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,1,0,0,0,0|1,0,2]=4 89 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [0,1,0,0,0,0|2,0,1]=4 90 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,1,0,0,0,0|1,0,2]=4 91 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [0,1,0,0,0,0|2,0,1]=4 92 B8R1.5 C1=NC(C(=O)N=C1)N AB51505 [0,1,0,0,0,0|2,0,1]=4 93 B8R1.5 C1CC=C(C(=C1)O)Cl AB31829 [0,1,0,0,0,0|0,0,2]=3 94 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,1,0,0,0,0|0,0,2]=3 95 B8R1.5 C1CNCC(C1=O)F PB20587 [0,1,0,0,0,0|1,0,2]=4 96 B8R1.5 C1COCC(C1=O)Br PB18064 [0,1,0,0,0,0|1,0,2]=4 97 B8R1.5 C1COCC(C1=O)F PB28362 [0,1,0,0,0,0|1,0,2]=4 98 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [0,1,0,0,0,0|1,0,1]=3 99 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [0,1,0,0,0,0|1,0,1]=3 100 B8R1.5 CC1C(=O)NCCN1 AB04135 [0,1,0,0,0,0|2,0,1]=4 101 B8R1.5 CC1C(=O)NCCO1 AB71412 [0,1,0,0,0,0|2,0,1]=4 102 B8R1.5 CC1CCNCC1=O PB36769 [0,1,0,0,0,0|1,0,1]=3 103 B8R1.5 CC1CNCCC1=O PB23474 [0,1,0,0,0,0|1,0,2]=4 104 B8R1.5 CC1COCCC1=O PB26907 [0,1,0,0,0,0|1,0,2]=4 105 B8R1.5 CN1CCNCC1=O PB24934 [0,1,0,0,0,0|2,0,1]=4 106 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [0,1,0,0,0,0|2,0,1]=4 107 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [0,1,0,0,0,0|2,0,1]=4 108 B8R1.5 c1cn[nH]c(=O)c1Cl PB31005 [0,1,0,0,0,0|2,0,1]=4 109 B8R1.72 C1CCS(=O)(=O)NC1 AB17207 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.1 CCCC(=N)NN AB56218 [0,0,1,0,0,0|3,0,0]=4 111 B6R0.1 CCNC(=O)C=C CB10170 [0,0,1,0,0,0|1,0,0]=2 112 B6R0.1 CCOC(=O)C#N PB24520 [0,0,1,0,0,0|2,0,1]=4 113 B6R0.1 COC(=O)\C=C\N AB31601 [0,0,1,0,0,0|2,0,0]=3 114 B6R0.4 C#CCCC(=O)O CB10019 [0,0,1,0,0,0|1,0,2]=4 115 B6R0.4 C=C(CCCCl)I MB13670 [0,0,1,0,0,0|2,0,0]=3 116 B6R0.4 CC(=O)\C=C\OC AB00959 [0,0,1,0,0,0|1,0,0]=2 117 B6R1.2 C1=NC(=O)N=C1 AB01798 [0,0,0,0,1,0|2,0,1]=4 118 B6R1.2 C1C=C(CO1)I AB84905 [0,0,0,0,1,0|2,0,0]=3 119 B6R1.2 C1C=C(N=N1)Br AB68518 [0,0,0,0,1,0|3,0,0]=4 120 B6R1.2 C1C=C(N=N1)Br CB10536 [0,0,0,0,1,0|3,0,0]=4 121 B6R1.2 C1C=C(N=N1)I PB15017 [0,0,0,0,1,0|3,0,0]=4 122 B6R1.2 C1C=C(N=N1)N PB32063 [0,0,0,0,1,0|3,0,0]=4 123 B6R1.2 C1C=NC(=N1)Br AB11316 [0,0,0,0,1,0|3,0,0]=4 124 B6R1.2 C1C=NC(=N1)Cl AB11323 [0,0,0,0,1,0|3,0,0]=4 125 B6R1.2 C1C=NC(=N1)I AB04195 [0,0,0,0,1,0|3,0,0]=4 126 B6R1.2 C1C=NC(=N1)N AB07116 [0,0,0,0,1,0|3,0,0]=4 127 B6R1.2 C1C=NC(=N1)N AB29274 [0,0,0,0,1,0|3,0,0]=4 128 B6R1.2 C1C=NC(=N1)O AB52896 [0,0,0,0,1,0|2,0,1]=4 129 B6R1.2 C1C=NC(=N1)S AB00386 [0,0,0,0,1,0|2,1,0]=4 130 B6R1.2 C1CNCC1=O PB21807 [0,0,0,0,1,0|1,0,1]=3 131 B6R1.2 C1COCC1=O PB17440 [0,0,0,0,1,0|1,0,1]=3 132 B6R1.2 C1CONC1=O MB10654 [0,0,0,0,1,0|2,0,0]=3 133 B6R1.2 CC1=CCCO1 AB00300 [0,0,0,0,1,0|2,0,0]=3 134 B6R1.2 CC1=CN=CC1 PB12076 [0,0,0,0,1,0|2,0,1]=4 135 B6R1.2 CC1=CN=NC1 AB00390 [0,0,0,0,1,0|3,0,0]=4 136 B6R1.2 CC1=NC=CC1 AB12705 [0,0,0,0,1,0|2,0,1]=4 137 B6R1.2 CC1CCCN1 AB44503 [0,0,0,0,1,0|2,0,1]=4 138 B6R1.2 C[C@@H]1CCCN1 AB29488 [0,0,0,0,1,0|2,0,1]=4 139 B6R1.2 C[C@@H]1CCCN1 AB42774 [0,0,0,0,1,0|2,0,1]=4 140 B6R1.2 C[C@H]1CCCN1 AB29489 [0,0,0,0,1,0|2,0,1]=4 141 B6R1.2 Cc1ccon1 AB01288 [0,0,0,0,1,0|3,0,0]=4 142 B6R1.2 c1cc(oc1)Br AB04890 [0,0,0,0,1,0|2,0,1]=4 143 B6R1.2 c1cc(sc1)N AB08372 [0,0,0,0,1,0|2,0,1]=4 144 B6R1.2 c1cnoc1N MB00706 [0,0,0,0,1,0|3,0,0]=4 145 B6R1.2 c1conc1N PB33787 [0,0,0,0,1,0|3,0,0]=4 146 B6R1.2 c1conc1O MB20248 [0,0,0,0,1,0|2,0,1]=4 147 B6R1.2 c1cscc1N MB09694 [0,0,0,0,1,0|2,0,1]=4 148 B6R1.2 c1cscc1N PB23357 [0,0,0,0,1,0|2,0,1]=4 149 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,0,0,0,0,1|0,0,2]=3 150 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,0,0,0,0,1|0,0,2]=3 151 B8R1.22 C1CNCC(=O)NC1 AB30280 [0,0,0,0,0,1|1,0,1]=3 152 B8R1.22 C1CNCCNC1=O AB07054 [0,0,0,0,0,1|1,0,1]=3 153 B5R0.1 C=C(CCCl)I MB13669 [1,0,1,0,0,0|2,0,0]=4 154 B5R0.1 CC(=O)\C=N\O AB00206 [1,0,1,0,0,0|2,0,0]=4 155 B5R0.3 CCC(=O)C=O AB21438 [1,0,1,0,0,0|1,0,0]=3 156 B5R0.3 CCC(=O)NN PB26058 [1,0,1,0,0,0|2,0,0]=4 157 B5R0.3 COC(=O)CN AB01112 [1,0,1,0,0,0|2,0,0]=4 158 B7R0.2 C\C(=C/C(=O)OC)\N AB00926 [0,1,1,0,0,0|1,0,0]=3 159 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [0,1,1,0,0,0|2,0,0]=4 160 B7R0.3 COC(=O)CCCO AB65249 [0,1,1,0,0,0|1,0,1]=4 161 B7R0.5 CCOC(=O)C(=O)N AB00911 [0,1,1,0,0,0|2,0,0]=4 162 B7R0.5 CCOC(=O)C(=S)N PB24589 [0,1,1,0,0,0|2,0,0]=4 163 B7R0.7 CCOC(=O)C#CC AB01182 [0,1,1,0,0,0|0,0,2]=4 164 B7R0.10 CCC(C(=O)OC)N AB16757 [0,1,1,0,0,0|1,0,1]=4 165 B7R0.12 CC\C(=C/OC)\C#N AB77029 [0,1,1,0,0,0|2,0,0]=4 166 B7R0.6 CC(=O)\C=C\N(C)C AB03818 [0,1,1,0,0,0|1,0,0]=3 167 B7R0.1 CNCCCCC=C CB11323 [0,1,1,0,0,0|1,0,1]=4 168 B7R1.1 C1C=C(C=N1)C=O AB15013 [0,1,0,0,1,0|1,0,1]=4 169 B7R1.1 C1C=C(N=N1)C=O AB25611 [0,1,0,0,1,0|2,0,0]=4 170 B7R1.1 C1C=CN=C1C=O AB00388 [0,1,0,0,1,0|1,0,1]=4 171 B7R1.1 C1CC=C(C1)CBr PB30182 [0,1,0,0,1,0|1,0,0]=3 172 B7R1.1 C1CCC(C1)C=O AB02400 [0,1,0,0,1,0|0,0,2]=4 173 B7R1.1 c1cnsc1C=O AB32448 [0,1,0,0,1,0|2,0,0]=4 174 B7R1.1 c1conc1C=O PB26237 [0,1,0,0,1,0|2,0,0]=4 175 B7R1.1 c1cscc1C=O PB14065 [0,1,0,0,1,0|1,0,1]=4 176 B7R1.2 C1C(=CC(=O)N1)Br CB11702 [0,1,0,0,1,0|1,0,0]=3 177 B7R1.2 C1C(=O)N=C(N1)N AB60588 [0,1,0,0,1,0|2,0,0]=4 178 B7R1.2 C1C(CNC1=O)N PB17844 [0,1,0,0,1,0|1,0,0]=3 179 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,1,0,0,1,0|1,0,0]=3 180 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,1,0,0,1,0|1,0,0]=3 181 B7R1.2 C1[C@H](CNC1=O)S PB29198 [0,1,0,0,1,0|1,0,0]=3 182 B7R1.2 CN1CCC(=O)C1 PB26542 [0,1,0,0,1,0|1,0,1]=4 183 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [0,1,0,0,1,0|1,0,0]=3 184 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [0,1,0,0,1,0|1,0,0]=3 185 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,1,0,0,1,0|1,0,0]=3 186 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,1,0,0,1,0|1,0,0]=3 187 B7R1.4 CC1=C(C=NC1)C PB27606 [0,1,0,0,1,0|2,0,0]=4 188 B7R1.14 C1CNS(=O)(=O)C1 PB25181 [0,1,0,0,1,0|2,0,0]=4 189 B7R1.14 C1CS(=O)(=O)N=C1 PB24505 [0,1,0,0,1,0|2,0,0]=4 190 B9R1.5 CN1CCNCCC1=O AB49613 [0,1,0,0,0,1|1,0,1]=4 191 B9R1.48 CC1CC(=O)NCCN1 PB15399 [0,1,0,0,0,1|1,0,1]=4 192 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,1,0,0,0,1|0,0,2]=4 193 B9R1.1 C1CC(=O)CCC1C=O AB21200 [0,2,0,0,0,0|0,0,2]=4 194 B9R1.2 C1CC(NC(=O)C1)CO AB63547 [0,2,0,0,0,0|1,0,1]=4 195 B9R1.2 C1CNC(=O)CC1CN PB30164 [0,2,0,0,0,0|1,0,1]=4 196 B9R1.2 C1CNC(=O)CC1CO PB18227 [0,2,0,0,0,0|1,0,1]=4 197 B9R1.2 CCC1CCCC(=O)N1 CB11733 [0,2,0,0,0,0|1,0,1]=4 198 B9R1.6 B(C1=CCCCC1)(O)O AB11273 [0,2,0,0,0,0|0,0,2]=4 199 B9R1.8 C1CCC(=CC1)CC#N AB00143 [0,2,0,0,0,0|1,0,1]=4 200 B9R1.15 CCC1C(=O)CCCN1 AB43253 [0,2,0,0,0,0|1,0,1]=4 201 B9R1.15 CCC1CCCCC1=O AB02693 [0,2,0,0,0,0|0,0,2]=4 202 B9R1.10 C1CC(CC=C1I)(F)F AB85517 [0,2,0,0,0,0|1,0,1]=4 203 B9R1.10 C1CC(CCC1=O)(F)F PB10513 [0,2,0,0,0,0|0,0,2]=4 204 B9R1.10 C1CC(CNC1=O)(F)F PB13829 [0,2,0,0,0,0|1,0,1]=4 205 B9R1.69 C1CC(=O)NC(=O)C1N PB14928 [0,2,0,0,0,0|1,0,0]=3 206 B9R1.69 CN1CC(CCC1=O)N PB13136 [0,2,0,0,0,0|1,0,1]=4 207 B9R1.3 CN1CCCC(C1=O)N PB20691 [0,2,0,0,0,0|1,0,1]=4 208 B7R1.22 C1CC1C(=O)C=O AB62322 [0,0,1,1,0,0|1,0,0]=3 209 B7R1.22 C1CC1C(=O)CBr AB45693 [0,0,1,1,0,0|1,0,1]=4 210 B7R1.22 C1CC1C(=O)NN PB14101 [0,0,1,1,0,0|2,0,0]=4 211 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [0,0,1,1,0,0|2,0,0]=4 212 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [0,0,1,1,0,0|1,0,1]=4 213 B7R1.18 C1CNC1C(=O)N MB03936 [0,0,1,1,0,0|2,0,0]=4 214 B7R1.18 C1CNC1C(=O)O PB12060 [0,0,1,1,0,0|2,0,0]=4 215 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [0,0,1,1,0,0|2,0,0]=4 216 B7R1.18 C1COC1C(=O)O PB26385 [0,0,1,1,0,0|2,0,0]=4 217 B7R1.20 C1CC1CC(=O)O PB21648 [0,0,1,1,0,0|1,0,1]=4 218 B9R2.19 C1C2CNC(=O)C1N2 PB31914 [0,1,0,1,0,0|1,0,1]=4 219 B5R1.2 C1C(=O)CN1 PB32275 [0,0,0,0,2,0|1,0,0]=3 220 B5R1.2 C1C(=O)CO1 PB20352 [0,0,0,0,2,0|1,0,0]=3 221 B5R1.2 C1C(=O)CS1 PB29880 [0,0,0,0,2,0|1,0,0]=3