0 B14R2.5637 C[C@H]1CNCCc2c1cc(cc2)Cl TS93949 [0,0,0,0,0,0|0,0,0]=0 1 B14R2.5637 C[C@H]1CNCCc2c1cc(cc2)Cl TS94156 [0,0,0,0,0,0|0,0,0]=0 2 B14R2.5637 c1cc2c(cc1Cl)C(=O)CCCN2 TS55666 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.5637 c1cc2c(cc1Cl)C(=O)CCCN2 TS87692 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.5637 c1cc2c(cc1N)C(=O)CCCC2 TS45992 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.3729 c1cc2c(cc1Br)NCCCC2 TS68652 [1,0,0,0,0,0|2,1,0]=4 6 B13R2.3729 c1cc2c(cc1Cl)CCCC=C2 TS47646 [1,0,0,0,0,0|1,0,2]=4 7 B13R2.3729 c1cc2c(cc1Cl)CCCCN2 TS22339 [1,0,0,0,0,0|2,0,0]=3 8 B13R2.3729 c1cc2c(cc1Cl)CNCCN2 TS15073 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.3729 c1cc2c(cc1Cl)NCCNC2 TS15071 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.3729 c1cc2c(cc1F)NCCCC2 TS38171 [1,0,0,0,0,0|2,1,0]=4 11 B13R2.5252 c1ccc2c(c1)C(CCCN2)N TS11606 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.5252 c1ccc2c(c1)CCCCC2=O TS32760 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.5252 c1ccc2c(c1)[C@@H](CCCN2)N TS42499 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.5252 c1ccc2c(c1)[C@H](CCCN2)N TS42503 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.9 CCCCCCc1ccc(cc1)Br TS32867 [0,0,1,0,0,0|1,1,0]=3 16 B13R1.9 CCCCCCc1ccc(cc1)I TS57918 [0,0,1,0,0,0|1,1,0]=3 17 B13R1.9 CCCCCCc1ccc(cc1)N TS46339 [0,0,1,0,0,0|2,0,0]=3 18 B13R1.9 CCCCCCc1ccc(cc1)O TS47609 [0,0,1,0,0,0|2,0,0]=3 19 B13R1.9 CCCCCOc1ccc(cc1)Br TS57827 [0,0,1,0,0,0|2,1,0]=4 20 B13R1.9 CCCCCOc1ccc(cc1)N TS14459 [0,0,1,0,0,0|3,0,0]=4 21 B13R1.9 CCCCCOc1ccc(cc1)O TS14644 [0,0,1,0,0,0|3,0,0]=4 22 B13R1.9 c1cc(ccc1OCCCCBr)Cl TS68750 [0,0,1,0,0,0|3,0,0]=4 23 B13R1.18 CCNCC(c1cccc(c1)O)O TS22296 [0,0,1,0,0,0|2,0,0]=3 24 B13R2.162 CN1CCCc2c1cc(cc2)N TS42498 [0,0,0,0,1,0|2,0,0]=3 25 B13R2.162 Cc1ccc2c(c1)C(=O)CCC2 TS42201 [0,0,0,0,1,0|2,0,1]=4 26 B13R2.162 Cc1ccc2c(c1)C(=O)NCC2 TS42305 [0,0,0,0,1,0|2,0,1]=4 27 B13R2.162 Cc1ccc2c(c1)C(CCO2)N TS16302 [0,0,0,0,1,0|3,0,0]=4 28 B13R2.162 Cc1ccc2c(c1)C(CCO2)N TS18908 [0,0,0,0,1,0|3,0,0]=4 29 B13R2.162 c1c2c(cnc1Cl)CCCC2=O TS94333 [0,0,0,0,1,0|2,0,1]=4 30 B13R2.162 c1cc2c(cc1Br)C(=O)CCC2 TS32675 [0,0,0,0,1,0|1,1,1]=4 31 B13R2.162 c1cc2c(cc1Br)C(=O)NCC2 TS16492 [0,0,0,0,1,0|1,1,1]=4 32 B13R2.162 c1cc2c(cc1Br)C(CCO2)N TS30089 [0,0,0,0,1,0|2,1,0]=4 33 B13R2.162 c1cc2c(cc1Br)C(COC2)N TS24463 [0,0,0,0,1,0|2,1,0]=4 34 B13R2.162 c1cc2c(cc1Cl)C(=O)CCC2 TS85144 [0,0,0,0,1,0|1,0,1]=3 35 B13R2.162 c1cc2c(cc1Cl)C(=O)CCO2 TS15065 [0,0,0,0,1,0|2,0,1]=4 36 B13R2.162 c1cc2c(cc1Cl)C(=O)NCC2 TS14849 [0,0,0,0,1,0|1,0,1]=3 37 B13R2.162 c1cc2c(cc1Cl)C(CCO2)N TS15191 [0,0,0,0,1,0|2,0,0]=3 38 B13R2.162 c1cc2c(cc1Cl)C(CCO2)N TS22698 [0,0,0,0,1,0|2,0,0]=3 39 B13R2.162 c1cc2c(cc1F)C(=O)CCC2 TS16515 [0,0,0,0,1,0|1,1,1]=4 40 B13R2.162 c1cc2c(cc1F)C(=O)NCC2 TS42872 [0,0,0,0,1,0|1,1,1]=4 41 B13R2.162 c1cc2c(cc1F)C(CCO2)N TS19655 [0,0,0,0,1,0|2,1,0]=4 42 B13R2.162 c1cc2c(cc1F)C(CCO2)N TS32674 [0,0,0,0,1,0|2,1,0]=4 43 B13R2.162 c1cc2c(cc1I)C(=O)CCC2 TS33322 [0,0,0,0,1,0|1,1,1]=4 44 B13R2.162 c1cc2c(cc1N)C(=O)CCC2 TS64847 [0,0,0,0,1,0|2,0,1]=4 45 B13R2.162 c1cc2c(cc1N)C(=O)NCC2 TS11555 [0,0,0,0,1,0|2,0,1]=4 46 B13R2.162 c1cc2c(cc1O)C(=O)CCC2 TS93553 [0,0,0,0,1,0|2,0,1]=4 47 B13R2.162 c1cc2c(cc1O)C(=O)NCC2 TS42578 [0,0,0,0,1,0|2,0,1]=4 48 B12R1.1 CCCCCc1ccc(cc1)Br TS24327 [1,0,1,0,0,0|0,1,0]=3 49 B12R1.1 CCCCCc1ccc(cc1)N TS11756 [1,0,1,0,0,0|1,0,0]=3 50 B12R1.1 CCCCCc1ccc(cc1)O TS42805 [1,0,1,0,0,0|1,0,0]=3 51 B12R1.1 CCCCCc1ccc(cc1)[Zn+] TS78445 [1,0,1,0,0,0|1,0,0]=3 52 B12R1.1 CCCCCc1cnc(nc1)Cl TS15400 [1,0,1,0,0,0|2,0,0]=4 53 B12R1.1 CCCCNc1ccc(cc1)O TS12062 [1,0,1,0,0,0|2,0,0]=4 54 B12R1.1 CCCCOc1ccc(cc1)Br TS52801 [1,0,1,0,0,0|1,1,0]=4 55 B12R1.1 CCCCOc1ccc(cc1)C TS42790 [1,0,1,0,0,0|2,0,0]=4 56 B12R1.1 CCCCOc1ccc(cc1)N TS12063 [1,0,1,0,0,0|2,0,0]=4 57 B12R1.1 CCCCOc1ccc(cc1)O TS12261 [1,0,1,0,0,0|2,0,0]=4 58 B12R1.1 CNCCOc1ccc(cc1)Cl TS15527 [1,0,1,0,0,0|2,0,0]=4 59 B12R1.1 c1cc(ccc1CCCCO)O TS12269 [1,0,1,0,0,0|2,0,0]=4 60 B12R1.1 c1cc(ccc1CNCCO)F TS45008 [1,0,1,0,0,0|1,1,0]=4 61 B12R1.1 c1cc(ccc1COCCO)Cl TS49009 [1,0,1,0,0,0|2,0,0]=4 62 B12R1.1 c1cc(ccc1CSCCO)Cl TS19494 [1,0,1,0,0,0|2,0,0]=4 63 B12R1.1 c1cc(ccc1OCCCI)Cl TS80665 [1,0,1,0,0,0|2,0,0]=4 64 B12R1.8 CCCCCC[n+]1ccccc1 TS37828 [1,0,1,0,0,0|2,0,0]=4 65 B12R1.8 CCCCCCc1ccccc1 TS11621 [1,0,1,0,0,0|1,0,0]=3 66 B12R1.8 CCCCCCc1ccccn1 TS42629 [1,0,1,0,0,0|2,0,0]=4 67 B12R1.8 CCCCCCc1cccnc1 TS11745 [1,0,1,0,0,0|2,0,0]=4 68 B12R1.8 CCCCCNc1ccccc1 TS42630 [1,0,1,0,0,0|2,0,0]=4 69 B12R1.8 CCCCOCc1ccccc1 TS42802 [1,0,1,0,0,0|2,0,0]=4 70 B12R1.8 CCCNCCc1ccccn1 TS11944 [1,0,1,0,0,0|1,0,0]=3 71 B12R1.8 CCCOCCc1ccccn1 TS42951 [1,0,1,0,0,0|2,0,0]=4 72 B12R1.8 c1ccc(cc1)CCCCCBr TS24328 [1,0,1,0,0,0|2,0,0]=4 73 B12R1.8 c1ccc(cc1)CCCCCN TS11750 [1,0,1,0,0,0|2,0,0]=4 74 B12R1.17 CNCC(c1cccc(c1)O)O TS38514 [1,0,1,0,0,0|2,0,0]=4 75 B12R1.17 CNCC(c1cccc(c1)O)O TS43246 [1,0,1,0,0,0|2,0,0]=4 76 B12R1.17 CNC[C@@H](c1cccc(c1)O)O TS33090 [1,0,1,0,0,0|2,0,0]=4 77 B12R1.17 CNC[C@@H](c1cccc(c1)O)O TS61333 [1,0,1,0,0,0|2,0,0]=4 78 B12R1.17 c1cc(cc(c1)Cl)C(CCO)N TS48811 [1,0,1,0,0,0|2,0,0]=4 79 B12R1.28 CCCCCc1cccc(c1)O TS42792 [1,0,1,0,0,0|2,0,0]=4 80 B12R1.30 CC=CCC(C)c1ccccc1 TS42205 [1,0,1,0,0,0|1,0,1]=4 81 B12R1.30 CCCCC(c1ccccc1)O TS42804 [1,0,1,0,0,0|2,0,0]=4 82 B12R1.30 CCNCC(C)c1ccccc1 TS11759 [1,0,1,0,0,0|0,0,0]=2 83 B12R1.112 CCc1cc(ccc1NCC)Br TS52602 [1,0,1,0,0,0|1,1,0]=4 84 B12R1.121 CNCCc1ccccc1CO TS12075 [1,0,1,0,0,0|1,0,0]=3 85 B12R1.46 CC(c1cc(ccc1CO)O)N TS38511 [1,0,1,0,0,0|2,0,0]=4 86 B12R1.283 CN(C)c1ccccc1CNN TS57048 [1,0,1,0,0,0|2,0,0]=4 87 B12R1.308 CCCC(C)c1ccccc1O TS42783 [1,0,1,0,0,0|2,0,0]=4 88 B12R1.354 CC[C@H](c1cc(ccc1C)C)N TS11748 [1,0,1,0,0,0|2,0,0]=4 89 B12R1.77 COc1ccccc1C(CN)O TS38513 [1,0,1,0,0,0|2,0,0]=4 90 B12R1.268 COc1ccc(cc1CCN)Br TS76464 [1,0,1,0,0,0|1,1,0]=4 91 B12R1.268 COc1ccc(cc1CCN)F TS38898 [1,0,1,0,0,0|1,1,0]=4 92 B12R2.41 c1cc2c(nc1)CCCCC2 TS40566 [2,0,0,0,0,0|2,0,0]=4 93 B12R2.41 c1ccc2c(c1)CCCCN2 TS47128 [2,0,0,0,0,0|2,0,0]=4 94 B12R2.41 c1ccc2c(c1)CCNCC2 TS90746 [2,0,0,0,0,0|0,0,0]=2 95 B14R1.13 CCC(=O)NCCc1ccc(cc1)O TS27063 [0,1,1,0,0,0|1,0,1]=4 96 B14R1.14 CCCCCCCc1ccc(cc1)Br TS67710 [0,1,1,0,0,0|1,1,0]=4 97 B14R1.14 CCCCCCCc1ccc(cc1)I TS59115 [0,1,1,0,0,0|1,1,0]=4 98 B14R1.14 CCCCCCCc1ccc(cc1)N TS17356 [0,1,1,0,0,0|2,0,0]=4 99 B14R1.14 CCCCCCCc1ccc(cc1)O TS51539 [0,1,1,0,0,0|2,0,0]=4 100 B14R1.14 CCCCCCOc1ccc(cc1)Br TS67983 [0,1,1,0,0,0|1,1,0]=4 101 B14R1.14 CCCCCCOc1ccc(cc1)N TS51700 [0,1,1,0,0,0|2,0,0]=4 102 B14R1.14 CCCCCCOc1ccc(cc1)O TS51890 [0,1,1,0,0,0|2,0,0]=4 103 B14R1.14 c1cc(ccc1OCCCCCO)Cl TS44622 [0,1,1,0,0,0|2,0,0]=4 104 B14R1.502 CCCC(=O)CCc1ccc(cc1)F TS17910 [0,1,1,0,0,0|1,1,0]=4 105 B14R1.677 CC(CNCCc1ccc(cc1)Cl)Cl TS94929 [0,1,1,0,0,0|0,0,0]=2 106 B14R1.774 CCCCCCc1ccc(cc1O)O TS51892 [0,1,1,0,0,0|2,0,0]=4 107 B14R1.776 CCCCCCc1ccc(cc1)C#C TS15686 [0,1,1,0,0,0|2,0,0]=4 108 B14R1.776 CCCCCCc1ccc(cc1)C#N TS15851 [0,1,1,0,0,0|2,0,0]=4 109 B14R1.776 CCCCCCc1ccc(cc1)C=O TS51157 [0,1,1,0,0,0|2,0,0]=4 110 B14R1.776 CCCCCCc1ccc(cc1)NN TS51549 [0,1,1,0,0,0|2,0,0]=4 111 B14R2.6126 C1CNCCc2c1c(nc(n2)Cl)Cl TS94362 [1,1,0,0,0,0|2,0,0]=4 112 B14R2.8719 c1cc2c(cc1Cl)CCCCC2=O TS51940 [1,1,0,0,0,0|1,0,1]=4 113 B14R2.279 c1ccc2c(c1)CCNC(=O)C2N TS46124 [1,1,0,0,0,0|1,0,1]=4 114 B14R2.142 COc1ccc2c(c1)C(CCC2)N TS21579 [0,1,0,0,1,0|2,0,0]=4 115 B14R2.8045 Cc1cc(c2c(c1)C(CCC2)N)C TS46014 [0,1,0,0,1,0|2,0,0]=4 116 B14R2.8045 c1c(cc(c2c1C(=O)CCC2)Cl)Cl TS21825 [0,1,0,0,1,0|1,0,1]=4 117 B14R2.8045 c1c(cc(c2c1C(=O)NCC2)Cl)Cl TS21974 [0,1,0,0,1,0|1,0,1]=4 118 B14R2.8045 c1c(cc(c2c1C(CCC2)N)Cl)Cl TS28397 [0,1,0,0,1,0|1,0,0]=3 119 B14R2.8045 c1c(cc(c2c1C(CCC2)N)F)F TS22664 [0,1,0,0,1,0|1,1,0]=4 120 B14R2.11684 CCN1CCCc2c1cc(cc2)N TS13918 [0,1,0,0,1,0|2,0,0]=4 121 B14R2.28472 CC1c2cc(c(cc2CCN1)O)O TS44748 [0,1,0,0,1,0|1,0,0]=3 122 B14R2.28472 CC1c2cc(c(cc2CCN1)O)O TS68338 [0,1,0,0,1,0|1,0,0]=3 123 B14R2.28472 c1c2c(cc(c1Cl)Cl)C(=O)CCC2 TS21823 [0,1,0,0,1,0|1,0,1]=4 124 B14R2.68 Cc1ccc(cc1)C2CNCCN2 TS47071 [0,0,1,1,0,0|2,0,0]=4 125 B14R2.68 c1cc(ccc1C2CCCCC2)Br TS00412 [0,0,1,1,0,0|1,1,0]=4 126 B14R2.68 c1cc(ccc1C2CCCCC2)O TS33160 [0,0,1,1,0,0|2,0,0]=4 127 B14R2.68 c1cc(ccc1C2CCNCC2)Cl TS00192 [0,0,1,1,0,0|2,0,0]=4 128 B14R2.68 c1cc(ccc1C2CCNCC2)Cl TS53279 [0,0,1,1,0,0|2,0,0]=4 129 B14R2.68 c1cc(ccc1C2CNCCN2)Br TS16461 [0,0,1,1,0,0|1,1,0]=4 130 B14R2.68 c1cc(ccc1C2CNCCN2)Cl TS16465 [0,0,1,1,0,0|1,0,0]=3 131 B14R2.68 c1cc(ccc1C2CNCCN2)F TS47061 [0,0,1,1,0,0|1,1,0]=4 132 B14R2.68 c1cc(ccc1C2CNCCN2)O TS09776 [0,0,1,1,0,0|2,0,0]=4 133 B14R2.68 c1cc(ccc1C2CNCCO2)Cl TS56424 [0,0,1,1,0,0|1,0,0]=3 134 B14R2.68 c1cc(ccc1[C@@H]2CNCCN2)Cl TS87703 [0,0,1,1,0,0|1,0,0]=3 135 B14R2.72 c1cc(ccc1CC2CCCN2)Br TS57332 [0,0,1,1,0,0|0,1,0]=3 136 B14R2.72 c1cc(ccc1CC2CCCN2)F TS47764 [0,0,1,1,0,0|0,1,0]=3 137 B14R2.21 c1cc(cc(c1)Cl)C2CCNCC2 TS16877 [0,0,1,1,0,0|2,0,0]=4 138 B14R2.21 c1cc(cc(c1)Cl)C2CCNCC2 TS18153 [0,0,1,1,0,0|2,0,0]=4 139 B14R2.21 c1cc(cc(c1)Cl)C2CNCCN2 TS47053 [0,0,1,1,0,0|1,0,0]=3 140 B14R2.21 c1cc(cc(c1)Cl)C2CSCCN2 TS44427 [0,0,1,1,0,0|2,0,0]=4 141 B14R3.3873 c1cc2c(cc1Cl)C3C(O3)CC2 TS48006 [1,0,0,1,0,0|2,0,0]=4 142 B14R3.50 c1ccc2c(c1)CCCC3C2O3 TS42193 [1,0,0,1,0,0|2,0,0]=4 143 B12R2.24 Cc1ccc2c(c1)CCCC2 TS07265 [1,0,0,0,1,0|1,0,0]=3 144 B12R2.24 Cc1ccc2c(c1)CCCN2 TS46763 [1,0,0,0,1,0|2,0,0]=4 145 B12R2.24 Cc1ccc2c(c1)CCNC2 TS85130 [1,0,0,0,1,0|1,0,0]=3 146 B12R2.24 Cc1ccc2c(c1)CNCC2 TS15211 [1,0,0,0,1,0|1,0,0]=3 147 B12R2.24 Cc1ccc2c(c1)CNCC2 TS55689 [1,0,0,0,1,0|1,0,0]=3 148 B12R2.24 Cc1ccc2c(c1)NCCC2 TS15213 [1,0,0,0,1,0|2,0,0]=4 149 B12R2.24 Cc1ccc2c(n1)CCCC2 TS07372 [1,0,0,0,1,0|2,0,0]=4 150 B12R2.24 c1c(cnc2c1CCNC2)Br TS86787 [1,0,0,0,1,0|1,1,0]=4 151 B12R2.24 c1c(cnc2c1CNCC2)Br TS21456 [1,0,0,0,1,0|1,1,0]=4 152 B12R2.24 c1c(cnc2c1CNCC2)N TS94339 [1,0,0,0,1,0|2,0,0]=4 153 B12R2.24 c1c(cnc2c1CNCC2)O TS40878 [1,0,0,0,1,0|2,0,0]=4 154 B12R2.24 c1c2c(nc(n1)Cl)CCNC2 TS90397 [1,0,0,0,1,0|2,0,0]=4 155 B12R2.24 c1c2c(nnc1Cl)CCNC2 TS91674 [1,0,0,0,1,0|2,0,0]=4 156 B12R2.24 c1cc(nc2c1CNCC2)Cl TS00905 [1,0,0,0,1,0|1,0,0]=3 157 B12R2.24 c1cc2c(cc1Br)CCCN2 TS86204 [1,0,0,0,1,0|1,1,0]=4 158 B12R2.24 c1cc2c(cc1Br)CCCO2 TS21450 [1,0,0,0,1,0|1,1,0]=4 159 B12R2.24 c1cc2c(cc1Br)CCNC2 TS27817 [1,0,0,0,1,0|0,1,0]=3 160 B12R2.24 c1cc2c(cc1Br)CCNC2 TS90722 [1,0,0,0,1,0|0,1,0]=3 161 B12R2.24 c1cc2c(cc1Br)CNCC2 TS55650 [1,0,0,0,1,0|0,1,0]=3 162 B12R2.24 c1cc2c(cc1Br)CNCC2 TS55651 [1,0,0,0,1,0|0,1,0]=3 163 B12R2.24 c1cc2c(cc1Br)NCCC2 TS55652 [1,0,0,0,1,0|1,1,0]=4 164 B12R2.24 c1cc2c(cc1Cl)C=CCC2 TS11962 [1,0,0,0,1,0|0,0,2]=4 165 B12R2.24 c1cc2c(cc1Cl)CCNC2 TS00906 [1,0,0,0,1,0|0,0,0]=2 166 B12R2.24 c1cc2c(cc1Cl)CCNC2 TS60093 [1,0,0,0,1,0|0,0,0]=2 167 B12R2.24 c1cc2c(cc1Cl)NCCC2 TS38541 [1,0,0,0,1,0|1,0,0]=3 168 B12R2.24 c1cc2c(cc1Cl)NCCO2 TS20095 [1,0,0,0,1,0|2,0,0]=4 169 B12R2.24 c1cc2c(cc1F)CCNC2 TS10052 [1,0,0,0,1,0|0,1,0]=3 170 B12R2.24 c1cc2c(cc1F)CCNC2 TS59734 [1,0,0,0,1,0|0,1,0]=3 171 B12R2.24 c1cc2c(cc1F)CNCC2 TS10056 [1,0,0,0,1,0|0,1,0]=3 172 B12R2.24 c1cc2c(cc1F)CNCC2 TS85147 [1,0,0,0,1,0|0,1,0]=3 173 B12R2.24 c1cc2c(cc1I)CNCC2 TS35828 [1,0,0,0,1,0|0,1,0]=3 174 B12R2.24 c1cc2c(cc1N)CCCC2 TS40565 [1,0,0,0,1,0|1,0,0]=3 175 B12R2.24 c1cc2c(cc1N)CNCC2 TS40670 [1,0,0,0,1,0|1,0,0]=3 176 B12R2.24 c1cc2c(cc1N)NCCC2 TS01293 [1,0,0,0,1,0|2,0,0]=4 177 B12R2.24 c1cc2c(cc1O)CCCC2 TS16959 [1,0,0,0,1,0|1,0,0]=3 178 B12R2.24 c1cc2c(cc1O)CCCC2 TS94705 [1,0,0,0,1,0|1,0,0]=3 179 B12R2.24 c1cc2c(cc1O)CCCN2 TS01238 [1,0,0,0,1,0|2,0,0]=4 180 B12R2.24 c1cc2c(cc1O)CCNC2 TS46766 [1,0,0,0,1,0|1,0,0]=3 181 B12R2.24 c1cc2c(cc1O)CCNC2 TS52947 [1,0,0,0,1,0|1,0,0]=3 182 B12R2.1081 CC1CCNc2c1cccc2 TS07373 [1,0,0,0,1,0|1,0,0]=3 183 B12R2.1081 CN1CCCc2c1cccc2 TS85270 [1,0,0,0,1,0|1,0,0]=3 184 B12R2.1081 c1cc2c(nc1)C(CCC2)Cl TS43286 [1,0,0,0,1,0|2,0,0]=4 185 B12R2.1081 c1cc2c(nc1)C(CCC2)N TS32647 [1,0,0,0,1,0|2,0,0]=4 186 B12R2.1081 c1cc2c(nc1)C(CCC2)O TS71333 [1,0,0,0,1,0|2,0,0]=4 187 B12R2.1081 c1cc2c(nc1)CCCC2N TS40663 [1,0,0,0,1,0|2,0,0]=4 188 B12R2.1081 c1cc2c(nc1)CCCC2O TS07566 [1,0,0,0,1,0|2,0,0]=4 189 B12R2.1081 c1cc2c(nc1)[C@@H](CCC2)N TS40673 [1,0,0,0,1,0|2,0,0]=4 190 B12R2.1081 c1ccc2c(c1)C(CCN2)N TS40665 [1,0,0,0,1,0|2,0,0]=4 191 B12R2.1081 c1ccc2c(c1)C(CCO2)N TS48812 [1,0,0,0,1,0|2,0,0]=4 192 B12R2.1081 c1ccc2c(c1)C(CCO2)N TS55814 [1,0,0,0,1,0|2,0,0]=4 193 B12R2.1081 c1ccc2c(c1)C(CCO2)O TS09864 [1,0,0,0,1,0|2,0,0]=4 194 B12R2.1081 c1ccc2c(c1)C(CCS2)N TS12088 [1,0,0,0,1,0|2,0,0]=4 195 B12R2.1081 c1ccc2c(c1)C(CCS2)O TS12277 [1,0,0,0,1,0|2,0,0]=4 196 B12R2.1081 c1ccc2c(c1)CCCC2=O TS07218 [1,0,0,0,1,0|1,0,1]=4 197 B12R2.1081 c1ccc2c(c1)CCCC2N TS46759 [1,0,0,0,1,0|1,0,0]=3 198 B12R2.1081 c1ccc2c(c1)CCCC2N TS48498 [1,0,0,0,1,0|1,0,0]=3 199 B12R2.1081 c1ccc2c(c1)CCCC2O TS40646 [1,0,0,0,1,0|1,0,0]=3 200 B12R2.1081 c1ccc2c(c1)CCCN2N TS40674 [1,0,0,0,1,0|2,0,0]=4 201 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N TS08922 [1,0,0,0,1,0|1,0,0]=3 202 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N TS48497 [1,0,0,0,1,0|1,0,0]=3 203 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2O TS40651 [1,0,0,0,1,0|1,0,0]=3 204 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N TS15209 [1,0,0,0,1,0|1,0,0]=3 205 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N TS40559 [1,0,0,0,1,0|1,0,0]=3 206 B12R2.1081 c1ccc2c(c1)CCC[C@H]2O TS40650 [1,0,0,0,1,0|1,0,0]=3 207 B12R2.1081 c1ccc2c(c1)CCNC2=O TS02547 [1,0,0,0,1,0|1,0,1]=4 208 B12R2.1081 c1ccc2c(c1)CCNC2=S TS42620 [1,0,0,0,1,0|1,0,1]=4 209 B12R2.1081 c1ccc2c(c1)CNCC2O TS40756 [1,0,0,0,1,0|1,0,0]=3 210 B12R2.1081 c1ccc2c(c1)COCC2N TS65761 [1,0,0,0,1,0|2,0,0]=4 211 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N TS00222 [1,0,0,0,1,0|2,0,0]=4 212 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N TS15532 [1,0,0,0,1,0|2,0,0]=4 213 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N TS00223 [1,0,0,0,1,0|2,0,0]=4 214 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N TS48807 [1,0,0,0,1,0|2,0,0]=4 215 B12R2.132 Cc1c[nH]c2c1cc(cc2)Cl TS12106 [0,0,0,0,2,0|0,0,2]=4 216 B12R2.132 c1cc(nc2c1CCC2O)Cl TS32913 [0,0,0,0,2,0|2,0,0]=4 217 B12R2.132 c1cc2c(cc1Br)[C@@H](CC2)N TS86271 [0,0,0,0,2,0|1,1,0]=4 218 B12R2.132 c1cc2c(cc1Br)[C@H](CC2)N TS86272 [0,0,0,0,2,0|1,1,0]=4 219 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 TS55566 [0,0,0,0,2,0|1,0,1]=4 220 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 TS43274 [0,0,0,0,2,0|1,0,1]=4 221 B12R2.132 c1cc2c(cc1Cl)C(CC2)N TS60095 [0,0,0,0,2,0|1,0,0]=3 222 B12R2.132 c1cc2c(cc1Cl)C(CO2)N TS12727 [0,0,0,0,2,0|2,0,0]=4 223 B12R2.132 c1cc2c(cc1Cl)C(CO2)N TS20097 [0,0,0,0,2,0|2,0,0]=4 224 B12R2.132 c1cc2c(cc1F)C(CC2)N TS50631 [0,0,0,0,2,0|1,1,0]=4 225 B12R2.132 c1cc2c(cc1F)[C@@H](CC2)N TS10054 [0,0,0,0,2,0|1,1,0]=4 226 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N TS90694 [0,0,0,0,2,0|2,0,0]=4 227 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N TS91190 [0,0,0,0,2,0|2,0,0]=4