0 B12R1.51 CCOC(=O)C=Cc1ccco1 TS12196 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.51 CCOC(=O)C=Cc1ccoc1 TS43047 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.51 CCOC(=O)CCc1ccco1 TS55375 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.4 CCCCCCc1cccs1 TS65619 [1,0,0,0,0,0|1,1,1]=4 4 B11R1.25 C=CC(=O)OCc1ccco1 TS10140 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.25 CCC(=O)OCc1ccco1 TS41356 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.25 CCC(=S)OCc1ccco1 TS12832 [1,0,0,0,0,0|1,1,0]=3 7 B11R1.25 COC(=O)C=Cc1cccs1 TS44888 [1,0,0,0,0,0|0,1,2]=4 8 B11R1.25 COC(=O)CCc1cccs1 TS45152 [1,0,0,0,0,0|0,1,0]=2 9 B11R1.25 COC(=O)CCn1cncn1 TS10572 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.25 c1cc(oc1)CCC(=O)NN TS41373 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.25 c1cc(oc1)CNC(=O)CCl TS13409 [1,0,0,0,0,0|2,0,0]=3 12 B13R1.33 CCOC(=O)CC(=O)c1cc[nH]c1 TS14761 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.33 CCOC(=O)CC(=O)c1ccc[nH]1 TS48082 [0,1,0,0,0,0|1,0,1]=3 14 B13R1.33 CCOC(=O)CC(=O)c1ccco1 TS14924 [0,1,0,0,0,0|0,0,1]=2 15 B13R1.33 CCOC(=O)CC(=O)c1cccs1 TS54034 [0,1,0,0,0,0|0,1,1]=3 16 B13R1.33 CCOC(=O)CC(=O)c1ccoc1 TS55927 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.33 CCOC(=O)CC(=O)c1ccsc1 TS55928 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.33 CCOC(=O)CC(=O)c1cscn1 TS18819 [0,1,0,0,0,0|2,0,1]=4 19 B13R1.33 CCOC(=O)CC(=O)c1nccs1 TS37740 [0,1,0,0,0,0|1,1,1]=4 20 B13R1.66 CCOC(=O)C(Cc1cnc[nH]1)N TS15146 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.66 CCOC(=O)[C@H](Cc1c[nH]cn1)N TS67813 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.153 CCCCC(=O)OCc1ccco1 TS48262 [0,1,0,0,0,0|2,0,0]=3 23 B11R0.4 CCCC(=O)OCC=CC=CC TS44899 [0,0,1,0,0,0|3,0,0]=4 24 B11R0.4 CCCC=CCCC(=O)OCC TS12853 [0,0,1,0,0,0|1,0,2]=4 25 B11R0.62 CCOC(=O)CCC(=O)OCC TS45753 [0,0,1,0,0,0|1,0,2]=4 26 B11R1.30 CCOC(=O)Cc1[nH]ncn1 TS10569 [0,0,0,0,1,0|3,0,0]=4 27 B11R1.30 CCOC(=O)Cc1ccc[nH]1 TS87512 [0,0,0,0,1,0|1,0,0]=2 28 B11R1.30 CCOC(=O)Cc1cccs1 TS12824 [0,0,0,0,1,0|0,1,0]=2 29 B11R1.30 CCOC(=O)Cc1ccsc1 TS12827 [0,0,0,0,1,0|2,0,0]=3 30 B11R1.30 CCOC(=O)Cn1cccn1 TS33044 [0,0,0,0,1,0|2,0,0]=3 31 B11R1.30 CCOC(=O)Cn1ccnc1 TS41366 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.30 CCOC(=O)Cn1ccnn1 TS10568 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.30 CCOC(=O)Cn1nccn1 TS10582 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.30 CCOC(=O)Nc1cccs1 TS13018 [0,0,0,0,1,0|1,1,0]=3 35 B13R1.42 CCCC(=O)CCc1ccccc1 TS46164 [0,0,0,0,0,1|2,0,0]=3 36 B13R1.42 CCCC(=O)OCc1ccccc1 TS14243 [0,0,0,0,0,1|3,0,0]=4 37 B13R1.42 CCOC(=O)C#Cc1ccccc1 TS13483 [0,0,0,0,0,1|1,0,2]=4 38 B13R1.42 CCOC(=O)C=Cc1ccccc1 TS13866 [0,0,0,0,0,1|1,0,2]=4 39 B13R1.42 CCOC(=O)C=Cc1cccnc1 TS14033 [0,0,0,0,0,1|1,0,2]=4 40 B13R1.42 CCOC(=O)C=Cc1ccncc1 TS33125 [0,0,0,0,0,1|1,0,2]=4 41 B13R1.42 CCOC(=O)CCc1ccccc1 TS14228 [0,0,0,0,0,1|1,0,0]=2 42 B13R1.42 CCOC(=O)CNc1ccccc1 TS47750 [0,0,0,0,0,1|2,0,0]=3 43 B13R1.42 CCOC(=O)COc1ccccc1 TS47895 [0,0,0,0,0,1|2,0,0]=3 44 B13R1.42 CCOC(=O)COc1cccnc1 TS48062 [0,0,0,0,0,1|2,0,0]=3 45 B13R1.42 CCOC(=O)CSc1ccccc1 TS18301 [0,0,0,0,0,1|2,0,0]=3 46 B13R1.42 CCOC(=O)NCc1ccccc1 TS47751 [0,0,0,0,0,1|2,0,0]=3 47 B10R0.1 CCOC(=O)CCC=CC=C TS41397 [1,0,1,0,0,0|0,0,0]=2 48 B10R0.74 CCC(=O)OCC=CC=CC TS41399 [1,0,1,0,0,0|2,0,0]=4 49 B10R0.108 CCOC(=O)CCC(=O)C=C TS10670 [1,0,1,0,0,0|0,0,1]=3 50 B10R1.21 CCCCCc1cccs1 TS10504 [2,0,0,0,0,0|0,1,1]=4 51 B10R1.66 CC(=O)C=Cc1ccco1 TS70735 [2,0,0,0,0,0|0,0,2]=4 52 B10R1.66 CC(=O)CCn1cccn1 TS16749 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.66 CC(=O)CSc1cccs1 TS13242 [2,0,0,0,0,0|1,1,0]=4 54 B10R1.66 CC(=O)OCc1ccco1 TS37347 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.66 CC(=S)OCc1ccco1 TS10696 [2,0,0,0,0,0|1,1,0]=4 56 B10R1.66 c1c(nc[nH]1)CCC(=O)O TS37352 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.66 c1c[nH]cc1CCC(=O)O TS06358 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.66 c1cc([nH]c1)CCC(=O)O TS02495 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.66 c1cc(oc1)C=CC(=O)O TS06232 [2,0,0,0,0,0|0,0,2]=4 60 B10R1.66 c1cc(oc1)C=CC(=O)O TS94913 [2,0,0,0,0,0|0,0,2]=4 61 B10R1.66 c1cc(oc1)CCC(=O)O TS37339 [2,0,0,0,0,0|0,0,0]=2 62 B10R1.66 c1cc(sc1)CCC(=O)O TS41627 [2,0,0,0,0,0|0,1,0]=3 63 B10R1.66 c1cnc([nH]1)CCC(=O)O TS08837 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.66 c1csc(n1)CCC(=O)O TS41784 [2,0,0,0,0,0|1,1,0]=4 65 B12R1.37 CCCCCCCc1ccco1 TS12290 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.15 COC(=O)CC(=O)c1cccs1 TS15272 [1,1,0,0,0,0|0,1,1]=4 67 B12R1.108 COC(=O)[C@@H](Cc1c[nH]cn1)N TS57653 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.108 COC(=O)[C@H](Cc1c[nH]cn1)N TS01523 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.264 CC(=C)C(=O)OCc1ccco1 TS12175 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.31 CCOC(=O)Cc1cnc(s1)N TS15640 [0,1,0,0,1,0|1,1,0]=4 71 B12R1.31 CCOC(=O)Cc1csc(=S)[nH]1 TS38489 [0,1,0,0,1,0|2,0,0]=4 72 B12R1.31 CCOC(=O)Cc1csc(n1)N TS08490 [0,1,0,0,1,0|2,0,0]=4 73 B12R1.31 CCOC(=O)Cc1nc(cs1)C TS48748 [0,1,0,0,1,0|1,1,0]=4 74 B12R1.31 CCOC(=O)Cc1nc(cs1)O TS50549 [0,1,0,0,1,0|1,1,0]=4 75 B12R1.55 CCOC(=O)C(=O)c1cccs1 TS15273 [0,1,0,0,1,0|0,1,1]=4 76 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 TS56138 [0,1,0,0,0,1|1,0,1]=4 77 B14R1.29 CCOC(=O)CC(=O)c1ccccn1 TS64895 [0,1,0,0,0,1|1,0,1]=4 78 B14R1.29 CCOC(=O)CC(=O)c1cccnc1 TS17651 [0,1,0,0,0,1|1,0,1]=4 79 B14R1.29 CCOC(=O)CC(=O)c1ccncc1 TS17634 [0,1,0,0,0,1|1,0,1]=4 80 B14R1.29 CCOC(=O)CC(=O)c1cnccn1 TS17816 [0,1,0,0,0,1|1,0,1]=4 81 B14R1.29 CCOC(=O)CC(c1ccccc1)N TS51656 [0,1,0,0,0,1|1,0,0]=3 82 B14R1.29 CCOC(=O)CC(c1ccccc1)O TS51816 [0,1,0,0,0,1|1,0,0]=3 83 B14R1.29 CCOC(=O)CS(=O)c1ccccc1 TS21349 [0,1,0,0,0,1|2,0,0]=4 84 B14R1.29 CCOC(=O)C[C@@H](c1ccccc1)N TS52908 [0,1,0,0,0,1|1,0,0]=3 85 B14R1.29 CCOC(=O)C[C@@H](c1ccccc1)O TS17857 [0,1,0,0,0,1|1,0,0]=3 86 B14R1.29 CCOC(=O)C[C@@H](c1cccnc1)N TS30381 [0,1,0,0,0,1|1,0,0]=3 87 B14R1.29 CCOC(=O)C[C@H](c1ccccc1)N TS52911 [0,1,0,0,0,1|1,0,0]=3 88 B14R1.29 CCOC(=O)C[C@H](c1ccccc1)O TS17848 [0,1,0,0,0,1|1,0,0]=3 89 B14R1.29 CCOC(=O)N[C@@H](C)c1ccccc1 TS51654 [0,1,0,0,0,1|2,0,0]=4 90 B14R1.32 CCOC(=O)COc1cccc(c1)Br TS68228 [0,1,0,0,0,1|2,0,0]=4 91 B14R1.32 CCOC(=O)COc1cccc(c1)C TS17851 [0,1,0,0,0,1|2,0,0]=4 92 B14R1.32 CCOC(=O)COc1cccc(c1)Cl TS21784 [0,1,0,0,0,1|2,0,0]=4 93 B14R1.60 CCOC(=O)C(Cc1ccccn1)N TS17884 [0,1,0,0,0,1|1,0,0]=3 94 B14R1.60 CCOC(=O)[C@H](Cc1ccccc1)N TS24788 [0,1,0,0,0,1|1,0,0]=3 95 B14R1.502 CCCC(=O)CCc1ccc(cc1)F TS17910 [0,1,0,0,0,1|2,0,0]=4 96 B14R1.502 CCOC(=O)CCc1ccc(cc1)Br TS59770 [0,1,0,0,0,1|1,0,0]=3 97 B14R1.502 CCOC(=O)CCc1ccc(cc1)O TS17844 [0,1,0,0,0,1|1,0,0]=3 98 B14R1.502 CCOC(=O)CNc1ccc(cc1)I TS60464 [0,1,0,0,0,1|2,0,0]=4 99 B14R1.502 CCOC(=O)COc1ccc(cc1)Br TS68222 [0,1,0,0,0,1|2,0,0]=4 100 B14R1.502 CCOC(=O)COc1ccc(cc1)Cl TS21781 [0,1,0,0,0,1|2,0,0]=4 101 B14R1.502 CCOC(=O)COc1ccc(cc1)F TS18590 [0,1,0,0,0,1|2,0,0]=4 102 B14R1.502 CCOC(=O)CSc1ccc(cc1)C TS43857 [0,1,0,0,0,1|2,0,0]=4 103 B14R1.502 CCOC(=O)CSc1ccc(cc1)Cl TS24991 [0,1,0,0,0,1|2,0,0]=4 104 B14R1.598 CCOC(=O)CCc1ccccc1Br TS29034 [0,1,0,0,0,1|1,0,0]=3 105 B14R1.598 CCOC(=O)COc1ccccc1C TS17862 [0,1,0,0,0,1|2,0,0]=4 106 B14R1.598 CCOC(=O)COc1ccccc1Cl TS21778 [0,1,0,0,0,1|2,0,0]=4 107 B14R1.100 CCOC(=O)CNC(=O)c1ccco1 TS53827 [0,1,0,0,0,1|0,0,1]=3 108 B14R1.100 CCOC(=O)CNC(=O)c1cccs1 TS44352 [0,1,0,0,0,1|0,1,1]=4 109 B14R1.524 CCOC(=O)C(=Cc1ccco1)C#N TS17272 [0,2,0,0,0,0|0,0,2]=4 110 B14R1.86 CCCCCC(=O)OCc1ccco1 TS53682 [0,2,0,0,0,0|2,0,0]=4 111 B14R1.4526 CC(C)COC(=O)CCc1ccco1 TS53679 [0,2,0,0,0,0|0,0,0]=2 112 B12R1.32 CCOC(=O)C[n+]1ccccc1 TS19281 [0,0,1,1,0,0|2,0,0]=4 113 B12R1.32 CCOC(=O)C[n+]1ccccc1 TS27413 [0,0,1,1,0,0|2,0,0]=4 114 B12R1.32 CCOC(=O)Cc1ccccc1 TS64894 [0,0,1,1,0,0|1,0,1]=4 115 B12R1.32 CCOC(=O)Cc1ccccn1 TS08500 [0,0,1,1,0,0|1,0,1]=4 116 B12R1.32 CCOC(=O)Cc1cccnc1 TS55929 [0,0,1,1,0,0|1,0,1]=4 117 B12R1.308 CCOC(=O)c1ccccc1O TS12199 [0,0,1,1,0,0|0,0,2]=4 118 B12R1.17 CCOC(=O)c1cccc(c1)O TS12170 [0,0,1,1,0,0|0,0,2]=4 119 B14R2.21 c1ccc(cc1)C2CCCC(=O)C2 TS13534 [0,0,0,1,0,1|2,0,0]=4 120 B14R2.30 c1ccc(cc1)CC2CCCC2=O TS45814 [0,0,0,1,0,1|2,0,0]=4 121 B14R2.322 c1cc(oc1)CNCC2CCCO2 TS48104 [0,0,0,1,0,1|1,0,1]=4 122 B14R2.249 c1cc(oc1)C2CC(=O)CC(=O)C2 TS14173 [0,1,0,1,0,0|1,0,1]=4 123 B10R1.27 COC(=O)Cc1cccs1 TS01563 [1,0,0,0,1,0|0,1,0]=3 124 B10R1.27 COC(=O)Cc1ccsc1 TS10692 [1,0,0,0,1,0|2,0,0]=4 125 B10R1.11 C=COC(=O)c1ccco1 TS06233 [0,0,0,0,2,0|0,0,2]=4 126 B10R1.11 CCCC(=O)c1ccco1 TS06270 [0,0,0,0,2,0|1,0,0]=3 127 B10R1.11 CCCC(=O)c1cccs1 TS10473 [0,0,0,0,2,0|1,1,0]=4 128 B10R1.11 CCOC(=O)c1[nH]ccn1 TS64891 [0,0,0,0,2,0|2,0,0]=4 129 B10R1.11 CCOC(=O)c1c[nH]cn1 TS55896 [0,0,0,0,2,0|2,0,0]=4 130 B10R1.11 CCOC(=O)c1cc[nH]n1 TS56156 [0,0,0,0,2,0|2,0,0]=4 131 B10R1.11 CCOC(=O)c1ccc[nH]1 TS55898 [0,0,0,0,2,0|1,0,0]=3 132 B10R1.11 CCOC(=O)c1ccco1 TS06431 [0,0,0,0,2,0|0,0,0]=2 133 B10R1.11 CCOC(=O)c1cccs1 TS74499 [0,0,0,0,2,0|0,1,0]=3 134 B10R1.11 CCOC(=O)c1ccoc1 TS06430 [0,0,0,0,2,0|2,0,0]=4 135 B10R1.11 CCOC(=O)c1ccon1 TS86639 [0,0,0,0,2,0|2,0,0]=4 136 B10R1.11 CCOC(=O)c1ccsc1 TS41625 [0,0,0,0,2,0|2,0,0]=4 137 B10R1.11 CCOC(=O)c1cnco1 TS64893 [0,0,0,0,2,0|1,0,0]=3 138 B10R1.11 CCOC(=O)c1cncs1 TS55510 [0,0,0,0,2,0|1,1,0]=4 139 B10R1.11 CCOC(=O)c1cocn1 TS06565 [0,0,0,0,2,0|2,0,0]=4 140 B10R1.11 CCOC(=O)c1cscn1 TS01480 [0,0,0,0,2,0|2,0,0]=4 141 B10R1.11 CCOC(=O)c1ncco1 TS06570 [0,0,0,0,2,0|1,0,0]=3 142 B12R1.27 CCC(=O)CCc1ccccc1 TS08927 [1,0,0,0,0,1|1,0,0]=3 143 B12R1.27 CCC(=O)OCc1ccccc1 TS42731 [1,0,0,0,0,1|2,0,0]=4 144 B12R1.27 COC(=O)CCc1ccccc1 TS08580 [1,0,0,0,0,1|1,0,0]=3 145 B12R1.27 COC(=O)CCc1ccncc1 TS12012 [1,0,0,0,0,1|1,0,0]=3 146 B12R1.27 COC(=O)COc1ccccc1 TS12178 [1,0,0,0,0,1|2,0,0]=4 147 B12R1.27 COC(=O)CSc1ccccc1 TS15002 [1,0,0,0,0,1|2,0,0]=4 148 B14R1.520 CCCC(=O)OCCc1ccccc1 TS17507 [0,0,0,0,0,2|2,0,0]=4 149 B14R1.520 CCOC(=O)CCCc1ccccc1 TS17515 [0,0,0,0,0,2|1,0,0]=3 150 B14R1.520 CCOC(=O)CCNc1ccccn1 TS01590 [0,0,0,0,0,2|1,0,0]=3 151 B14R1.520 CCOC(=O)CCOc1ccccc1 TS17859 [0,0,0,0,0,2|1,0,0]=3 152 B14R1.520 CCOC(=O)CN=Cc1ccccc1 TS51296 [0,0,0,0,0,2|1,0,1]=4 153 B14R1.520 CCOC(=O)CNCc1ccccc1 TS56368 [0,0,0,0,0,2|1,0,0]=3 154 B14R1.520 CCOC(=O)CNCc1ccccn1 TS17880 [0,0,0,0,0,2|1,0,0]=3 155 B14R1.609 CCOC(=O)CCNCc1ccco1 TS18449 [0,0,0,0,0,2|0,0,0]=2 156 B14R1.609 CCOC(=O)CCSCc1ccco1 TS44549 [0,0,0,0,0,2|0,0,0]=2