0 B14R2.203 c1cc2c(c(c(cn2)O)C=O)nc1 CB11979 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.203 c1ccc2c(c1)ccc(c2CN)O AB09123 [0,0,0,0,0,0|0,0,0]=0 2 B14R2.203 c1ccc2c(c1)ccc(c2CN)O AB42933 [0,0,0,0,0,0|0,0,0]=0 3 B13R2.32 Cc1cnc2ccccc2c1Cl AB50477 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.32 Cc1cnc2ccccc2c1O AB50475 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.32 c1cc2ccc(c(c2nc1)F)F MB01680 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.32 c1ccc2c(c1)ccc(c2Br)N MB00604 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.32 c1ccc2c(c1)ccc(c2F)O MB69403 [1,0,0,0,0,0|1,0,0]=2 8 B13R2.32 c1ccc2c(c1)ccc(c2O)F MB04146 [1,0,0,0,0,0|2,0,0]=3 9 B13R2.32 c1ccc2c(c1)cnc(c2Br)N MB00823 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.1613 C#Cc1cccc2c1cccn2 AB42083 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.1613 C#Cc1ccnc2c1cccc2 AB48498 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.1613 COc1cccc2c1cncc2 AB49764 [1,0,0,0,0,0|3,0,0]=4 13 B13R2.1613 c1cc(c2cccnc2c1)C=O AB07320 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.1613 c1cc(c2cccnc2c1)CN AB28304 [1,0,0,0,0,0|1,0,0]=2 15 B13R2.1613 c1cc2c(ccnc2nc1)CN AB68438 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.1613 c1cc2cccnc2c(c1)NN AB07874 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.1613 c1cc2ccncc2c(c1)C=O AB23484 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.1613 c1cc2ccncc2c(c1)CN AB28224 [1,0,0,0,0,0|1,0,0]=2 19 B13R2.1613 c1cc2ccncc2c(c1)CO MB10361 [1,0,0,0,0,0|2,0,0]=3 20 B13R2.1613 c1cc2cnccc2c(c1)C#N AB13764 [1,0,0,0,0,0|1,0,2]=4 21 B13R2.1613 c1cc2cnccc2c(c1)C=O AB14397 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.1613 c1cc2cnccc2c(c1)CN AB56494 [1,0,0,0,0,0|1,0,0]=2 23 B13R2.1613 c1ccc2c(c1)c(ccn2)CCl AB60119 [1,0,0,0,0,0|2,0,0]=3 24 B13R2.1613 c1ccc2c(c1)c(ccn2)CN AB11064 [1,0,0,0,0,0|1,0,0]=2 25 B13R2.1613 c1ccc2c(c1)c(ccn2)CO MB01636 [1,0,0,0,0,0|2,0,0]=3 26 B13R2.1613 c1ccc2c(c1)c(ccn2)NN AB05747 [1,0,0,0,0,0|2,0,0]=3 27 B13R2.1613 c1ccc2c(c1)c(ncn2)CN AB49444 [1,0,0,0,0,0|2,0,0]=3 28 B13R2.1613 c1ccc2c(c1)ccnc2C#N AB03726 [1,0,0,0,0,0|1,0,2]=4 29 B13R2.1613 c1ccc2c(c1)ccnc2C=O AB28067 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.1613 c1ccc2c(c1)ccnc2CCl AB51017 [1,0,0,0,0,0|2,0,0]=3 31 B13R2.1613 c1ccc2c(c1)ccnc2CN AB23405 [1,0,0,0,0,0|1,0,0]=2 32 B13R2.1613 c1ccc2c(c1)ccnc2NN AB52996 [1,0,0,0,0,0|2,0,0]=3 33 B13R2.1613 c1ccc2c(c1)cncc2C#N AB07795 [1,0,0,0,0,0|1,0,2]=4 34 B13R2.1613 c1ccc2c(c1)cncc2C=O MB01497 [1,0,0,0,0,0|2,0,1]=4 35 B13R2.1613 c1ccc2c(c1)cncc2CN AB28215 [1,0,0,0,0,0|1,0,0]=2 36 B15R2.1162 CC(c1c2ccccc2ccc1O)N AB45056 [0,1,0,0,0,0|0,0,0]=1 37 B15R2.1162 CC(c1c2ccccc2ccc1O)N AB49890 [0,1,0,0,0,0|0,0,0]=1 38 B15R2.1162 c1ccc2c(c1)c(c(cn2)O)C(=O)O AB09188 [0,1,0,0,0,0|2,0,1]=4 39 B13R2.135 Cc1c(c2ccccc2s1)CCl AB16608 [0,0,0,0,1,0|3,0,0]=4 40 B13R2.135 Cc1c(n2ccccc2n1)CN AB28985 [0,0,0,0,1,0|3,0,0]=4 41 B13R2.135 c1ccc2c(c1)C(C(=O)N2)CN AB28484 [0,0,0,0,1,0|1,0,2]=4 42 B12R1.478 c1ccc(cc1)C(CN)C(=O)O AB11929 [1,0,1,0,0,0|1,0,1]=4 43 B12R1.478 c1ccc(cc1)[C@H](CN)C(=O)O AB62462 [1,0,1,0,0,0|1,0,1]=4 44 B12R2.24 c1cc(cc2c1ccnc2)Br PB34202 [2,0,0,0,0,0|2,0,0]=4 45 B12R2.24 c1cc(cc2c1ccnc2)Cl MB00648 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.24 c1cc(cc2c1ccnc2)F MB09751 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.24 c1cc(cc2c1ccnc2)I MB09748 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.24 c1cc(cc2c1ccnc2)N MB06457 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.24 c1cc(cc2c1ccnc2)O MB01177 [2,0,0,0,0,0|1,0,0]=3 50 B12R2.24 c1cc2c(cc1O)cncn2 MB01173 [2,0,0,0,0,0|2,0,0]=4 51 B12R2.24 c1cc2cc(ccc2nc1)Br AB01417 [2,0,0,0,0,0|2,0,0]=4 52 B12R2.24 c1cc2ccc(cc2nc1)Br AB15717 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.24 c1cc2cnccc2cc1Br PB29336 [2,0,0,0,0,0|2,0,0]=4 54 B12R2.24 c1cc2cnccc2cc1Cl MB08350 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.24 c1cc2cnccc2cc1F MB09677 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.24 c1cc2cnccc2cc1I MB09307 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.24 c1cc2cnccc2cc1N AB19123 [2,0,0,0,0,0|2,0,0]=4 58 B12R2.24 c1cc2cnccc2cc1O AB19117 [2,0,0,0,0,0|1,0,0]=3 59 B12R2.24 c1cc2cncnc2cc1O AB60737 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.24 c1ccc2cnc(cc2c1)Br PB12162 [2,0,0,0,0,0|2,0,0]=4 64 B12R2.24 c1ccc2cnc(cc2c1)Cl PB18703 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.24 c1ccc2cnc(cc2c1)N AB03416 [2,0,0,0,0,0|2,0,0]=4 66 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [2,0,0,0,0,0|1,0,0]=3 67 B12R2.1081 Cc1cccc2c1cncc2 MB06665 [2,0,0,0,0,0|1,0,0]=3 68 B12R2.1081 Cc1ccnc2c1cccn2 CB10327 [2,0,0,0,0,0|2,0,0]=4 69 B12R2.1081 c1cc(c2c(c1)nccn2)N AB09749 [2,0,0,0,0,0|2,0,0]=4 70 B12R2.1081 c1cc(c2cncnc2c1)N AB60734 [2,0,0,0,0,0|2,0,0]=4 71 B12R2.1081 c1cc2c(cccn2)c(c1)Br AB05240 [2,0,0,0,0,0|2,0,0]=4 72 B12R2.1081 c1cc2c(ccnc2N)nc1 AB54489 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.1081 c1cc2c(ccnc2nc1)N AB22452 [2,0,0,0,0,0|2,0,0]=4 74 B12R2.1081 c1cc2cccnc2c(c1)Br AB04626 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.1081 c1cc2ccnc(c2nc1)N AB08899 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.1081 c1cc2ccncc2c(c1)Br MB03403 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.1081 c1cc2ccncc2c(c1)O AB06640 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.1081 c1cc2cnccc2c(c1)Br AB09627 [2,0,0,0,0,0|2,0,0]=4 79 B12R2.1081 c1cc2cncnc2c(c1)N AB49290 [2,0,0,0,0,0|2,0,0]=4 80 B12R2.1081 c1cc2cnncc2c(c1)N AB44290 [2,0,0,0,0,0|2,0,0]=4 81 B12R2.1081 c1ccc2c(c1)c(ccn2)Br AB42051 [2,0,0,0,0,0|2,0,0]=4 82 B12R2.1081 c1ccc2c(c1)c(ccn2)N AB06141 [2,0,0,0,0,0|1,0,0]=3 83 B12R2.1081 c1ccc2c(c1)c(ncn2)N AB03303 [2,0,0,0,0,0|2,0,0]=4 84 B12R2.1081 c1ccc2c(c1)ccnc2Cl AB01423 [2,0,0,0,0,0|2,0,0]=4 85 B12R2.1081 c1ccc2c(c1)ccnc2I AB05244 [2,0,0,0,0,0|2,0,0]=4 86 B12R2.1081 c1ccc2c(c1)cncc2Br AB00815 [2,0,0,0,0,0|2,0,0]=4 87 B12R2.1081 c1ccc2c(c1)cncc2O AB05248 [2,0,0,0,0,0|2,0,0]=4 88 B12R2.1081 c1cnc(c2c1cncc2)N AB64136 [2,0,0,0,0,0|2,0,0]=4 89 B12R2.1081 c1cnc2ccncc2c1N AB09610 [2,0,0,0,0,0|2,0,0]=4 90 B14R2.92 c1cc2ccc(c(c2nc1)N)C=O CB11487 [1,1,0,0,0,0|1,0,1]=4 91 B14R2.4513 Cc1ccc2ccc(c(c2n1)C)Cl AB52384 [1,1,0,0,0,0|2,0,0]=4 92 B14R2.4513 Cc1ccc2ccc(nc2c1C)C AB45157 [1,1,0,0,0,0|2,0,0]=4 93 B14R2.4513 c1cc(c(c2c1ccc(=O)o2)O)O PB17055 [1,1,0,0,0,0|2,0,0]=4 94 B14R2.8038 Cc1c(ccc2c1nccc2Cl)Cl AB12565 [1,1,0,0,0,0|2,0,0]=4 95 B14R2.8038 Cc1c(ccc2c1nccc2N)Cl AB52078 [1,1,0,0,0,0|2,0,0]=4 96 B14R2.8038 Cc1c(ccc2c1nccc2O)Cl AB05696 [1,1,0,0,0,0|2,0,0]=4 97 B14R2.8038 Cc1ccc2c(ccnc2c1C)Cl AB42065 [1,1,0,0,0,0|2,0,0]=4 98 B14R2.8038 Cc1ccc2c(ccnc2c1C)N AB52076 [1,1,0,0,0,0|2,0,0]=4 99 B14R2.8038 Cc1ccc2c(ccnc2c1C)O AB05733 [1,1,0,0,0,0|2,0,0]=4 100 B14R2.28523 Cn1c(=O)ccc2c1c(ccc2)Br MB10242 [1,1,0,0,0,0|1,0,1]=4 101 B14R2.29369 Cc1ccc2c(c1)ccc(=O)n2C MB01954 [1,1,0,0,0,0|1,0,1]=4 102 B14R2.29369 Cn1c2ccc(cc2ccc1=O)Br MB10578 [1,1,0,0,0,0|1,0,1]=4 103 B14R2.1073 Cc1ccc2c(ccnc2c1)NN AB52155 [1,1,0,0,0,0|2,0,0]=4 104 B14R2.1073 c1cc2c(ccnc2cc1Br)NN AB05762 [1,1,0,0,0,0|2,0,0]=4 105 B14R2.1073 c1cc2c(ccnc2cc1F)NN AB52490 [1,1,0,0,0,0|2,0,0]=4 106 B14R2.1078 CCc1cccc2c1nccc2Cl AB03222 [1,1,0,0,0,0|2,0,0]=4 107 B14R2.1078 CCc1cccc2c1nccc2N AB52089 [1,1,0,0,0,0|2,0,0]=4 108 B14R2.1078 CCc1cccc2c1nccc2O AB03226 [1,1,0,0,0,0|2,0,0]=4 109 B14R2.1078 Cc1cccc2c1nccc2NN AB05750 [1,1,0,0,0,0|2,0,0]=4 110 B14R2.1078 c1cc2c(ccnc2c(c1)Br)CO CB11678 [1,1,0,0,0,0|2,0,0]=4 111 B14R2.1078 c1cc2c(ccnc2c(c1)Br)NN AB52460 [1,1,0,0,0,0|2,0,0]=4 112 B14R2.1078 c1cc2c(ccnc2c(c1)Cl)NN AB45098 [1,1,0,0,0,0|2,0,0]=4 113 B14R2.1078 c1cc2c(ccnc2c(c1)F)NN AB05761 [1,1,0,0,0,0|2,0,0]=4 114 B14R2.1131 c1ccc2c(c1)c(ccc2Br)CBr AB30817 [1,1,0,0,0,0|1,0,0]=3 115 B14R2.1131 c1ccc2c(c1)c(ccc2Cl)NN AB27887 [1,1,0,0,0,0|1,0,0]=3 116 B14R2.1146 Cc1cc(c2ccccc2n1)CCl AB29712 [1,1,0,0,0,0|2,0,0]=4 117 B14R2.1146 Cc1cc(c2ccccc2n1)CN AB17861 [1,1,0,0,0,0|1,0,0]=3 118 B14R2.1146 Cc1cc(c2ccccc2n1)NN AB52136 [1,1,0,0,0,0|2,0,0]=4 119 B14R2.7150 CNCc1c2ccccc2ccn1 AB69251 [1,1,0,0,0,0|1,0,0]=3 120 B14R2.7150 CNCc1cccc2c1cccc2 AB01101 [1,1,0,0,0,0|0,0,0]=2 121 B14R2.7150 CNCc1cccc2c1cccc2 AB03923 [1,1,0,0,0,0|0,0,0]=2 122 B14R2.7150 CNCc1cccc2c1cccn2 AB42047 [1,1,0,0,0,0|1,0,0]=3 123 B14R2.7150 CNCc1cccc2c1nccc2 AB28130 [1,1,0,0,0,0|1,0,0]=3 124 B14R2.7150 c1ccc2c(c1)c(ncn2)CCN AB60726 [1,1,0,0,0,0|2,0,0]=4 125 B14R2.7150 c1ccc2c(c1)cccc2N=C=O AB00331 [1,1,0,0,0,0|1,0,1]=4 126 B14R2.11684 CCc1cccc2c1nc(cc2)C AB52468 [1,1,0,0,0,0|2,0,0]=4 127 B14R2.11684 Cc1ccc2c(c1)c(ccn2)NN AB52150 [1,1,0,0,0,0|2,0,0]=4 128 B14R2.11684 c1cc2c(cc1Br)c(ccn2)NN AB45093 [1,1,0,0,0,0|2,0,0]=4 129 B14R2.11684 c1cc2c(cc1Cl)c(ccn2)NN AB45094 [1,1,0,0,0,0|2,0,0]=4 130 B14R2.11684 c1cc2c(cc1F)c(ccn2)NN AB05760 [1,1,0,0,0,0|2,0,0]=4 131 B14R2.31359 B(c1cccc2c1cccc2)(O)O AB01263 [1,1,0,0,0,0|2,0,0]=4 132 B14R2.31359 c1cc(c2cccnc2c1)C(=S)N AB28301 [1,1,0,0,0,0|1,0,1]=4 133 B14R2.31359 c1cc2ccncc2c(c1)C(=S)N AB28209 [1,1,0,0,0,0|1,0,1]=4 134 B14R2.31359 c1cc2cnccc2c(c1)C(=S)N AB28297 [1,1,0,0,0,0|1,0,1]=4 135 B14R2.31359 c1ccc2c(c1)c(ccn2)C(=N)N AB60894 [1,1,0,0,0,0|1,0,1]=4 136 B14R2.31359 c1ccc2c(c1)c(ccn2)C(=S)N AB11047 [1,1,0,0,0,0|1,0,1]=4 137 B14R2.31359 c1ccc2c(c1)cccc2C(=N)N AB18265 [1,1,0,0,0,0|0,0,1]=3 138 B14R2.31359 c1ccc2c(c1)ccnc2C(=S)N AB28167 [1,1,0,0,0,0|1,0,1]=4 139 B14R2.31359 c1ccc2c(c1)cncc2C(=S)N AB28152 [1,1,0,0,0,0|1,0,1]=4 140 B16R2.2073 COc1ccc2ccccc2c1C(=N)N AB18290 [0,2,0,0,0,0|0,0,1]=3 141 B16R2.7485 COc1ccc2cc(ccc2c1C=O)Br AB50510 [0,2,0,0,0,0|1,0,1]=4 142 B14R2.112 c1ccc2c(c1)ccc(n2)CCN AB45414 [0,0,1,1,0,0|1,0,1]=4 143 B14R2.112 c1ccc2cc(ccc2c1)CCN AB09173 [0,0,1,1,0,0|1,0,1]=4 144 B14R2.24 c1ccc(cc1)c2c(cccn2)O AB06999 [0,0,1,1,0,0|2,0,0]=4 145 B16R3.335 CC1=Cc2ccc3ccccc3c2C1 CB10714 [0,1,0,1,0,0|2,0,0]=4 146 B16R3.335 c1ccc2c(c1)ccc3c2nc(s3)N CB10171 [0,1,0,1,0,0|0,1,1]=4 147 B12R2.1 C1=CC2C(=NC=C2CN)C=C1 AB09355 [1,0,0,0,1,0|1,0,1]=4 148 B12R2.1 c1ccn2c(c1)c(cn2)CN AB28979 [1,0,0,0,1,0|2,0,0]=4 149 B12R2.1 c1ccn2c(c1)ncc2CN AB28479 [1,0,0,0,1,0|2,0,0]=4 150 B12R2.1 c1ccn2cnc(c2c1)CN AB28978 [1,0,0,0,1,0|2,0,0]=4 151 B12R2.315 c1cc(c2c(c1)N=CC2)CN AB21262 [1,0,0,0,1,0|1,0,1]=4 152 B12R2.315 c1cc(c2ccoc2c1)CO MB08830 [1,0,0,0,1,0|2,0,0]=4 153 B12R2.315 c1cc(c2nccn2c1)CN AB61210 [1,0,0,0,1,0|2,0,0]=4 154 B12R2.315 c1cc(n2ccnc2c1)CN AB61224 [1,0,0,0,1,0|2,0,0]=4 155 B12R2.315 c1cc2ccnn2c(c1)CN AB28982 [1,0,0,0,1,0|2,0,0]=4