0 B14R1.158 CNCCCN(C)Cc1ccccc1 CSC000233375 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.28 CCCCCCNc1ccccc1 CSC000219565 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.28 CCCCCNCc1ccccc1 CSC000180875 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.28 OCCCCNCc1ccccc1 CSC000186360 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.44 CCCCN(C)Cc1ccccc1 CSC000006983 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.44 CCCCS(=O)Cc1ccccc1 CSC019146419 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.44 CN(CCC#N)Cc1ccccc1 CSC000177490 [1,0,0,0,0,0|2,0,1]=4 7 B15R1.83 CC(=Cc1ccccc1)CNCCCO CSC018742213 [0,1,0,0,0,0|1,0,2]=4 8 B15R1.83 CCOCCNC(C)Cc1ccccn1 CSC022267398 [0,1,0,0,0,0|2,0,0]=3 9 B15R1.83 CN(CCCCC#N)Cc1ccccc1 CSC000224120 [0,1,0,0,0,0|3,0,0]=4 10 B15R1.83 CN(CCOCCN)Cc1ccccc1 CSC012362226 [0,1,0,0,0,0|3,0,0]=4 11 B15R1.128 CC(Cc1ccc(cc1)F)NCCCO CSC011786275 [0,1,0,0,0,0|1,0,0]=2 12 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Br CSC036166874 [0,1,0,0,0,0|2,0,1]=4 13 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)C CSC000018521 [0,1,0,0,0,0|2,0,1]=4 14 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Cl CSC000002848 [0,1,0,0,0,0|2,0,1]=4 15 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)F CSC000002850 [0,1,0,0,0,0|2,0,1]=4 16 B15R1.128 CCCCNC(C)Cc1ccc(cc1)F CSC011380682 [0,1,0,0,0,0|1,0,0]=2 17 B15R1.128 COCCNC(C)Cc1ccc(cc1)Br CSC012345951 [0,1,0,0,0,0|2,0,0]=3 18 B15R1.128 COCCNC(C)Cc1ccc(cc1)F CSC011786286 [0,1,0,0,0,0|2,0,0]=3 19 B15R1.128 COCCNC(C)Cc1ccc(cc1)F CSC011786286 [0,1,0,0,0,0|2,0,0]=3 20 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Br CSC047586195 [0,1,0,0,0,0|2,0,1]=4 21 B15R1.129 CCCCNC(=O)Cc1cccc(c1)Cl CSC046483533 [0,1,0,0,0,0|2,0,1]=4 22 B15R1.129 CCCCNC(=O)Cc1cccc(c1)F CSC046485259 [0,1,0,0,0,0|2,0,1]=4 23 B15R1.129 CCCCNC(=O)Cc1cccc(c1)N CSC011690105 [0,1,0,0,0,0|2,0,1]=4 24 B15R1.129 OCCCNC(=O)Cc1cccc(c1)F CSC000191999 [0,1,0,0,0,0|2,0,1]=4 25 B15R1.551 CN(Cc1ccccc1)C(=O)CCCN CSC011211716 [0,1,0,0,0,0|3,0,0]=4 26 B15R1.1409 CC(Cc1ccccc1F)NCCCF CSC013858944 [0,1,0,0,0,0|0,1,0]=2 27 B15R1.1409 CCCCNC(=O)Cc1ccccc1Cl CSC048956628 [0,1,0,0,0,0|2,0,1]=4 28 B15R1.1409 CCCCNC(=O)Cc1ccccc1F CSC000002855 [0,1,0,0,0,0|2,0,1]=4 29 B15R1.1409 CCCCNC(=O)Cc1ccccc1N CSC011208739 [0,1,0,0,0,0|2,0,1]=4 30 B15R1.1409 CCCCNC(C)Cc1ccccc1C CSC011376511 [0,1,0,0,0,0|1,0,0]=2 31 B15R1.1409 CCCCNC(C)Cc1ccccc1F CSC011492785 [0,1,0,0,0,0|1,0,0]=2 32 B15R1.2074 CCCCNS(=O)(=O)Cc1ccccc1 CSC000020703 [0,1,0,0,0,0|3,0,0]=4 33 B15R2.31 CC1CCCN(C1)Cc2ccccc2 CSC000006979 [0,0,0,1,0,0|3,0,0]=4 34 B15R2.31 N[C@@H]1CCCN(C1)Cc2ccccc2 CSC011417555 [0,0,0,1,0,0|3,0,0]=4 35 B15R2.31 OC1CCCN(C1)Cc2ccccc2 CSC000174782 [0,0,0,1,0,0|3,0,0]=4 36 B15R2.31 O[C@@H]1CCCN(C1)Cc2ccccc2 CSC009815217 [0,0,0,1,0,0|3,0,0]=4 37 B15R2.31 O[C@H]1CCCN(C1)Cc2ccccc2 CSC011830385 [0,0,0,1,0,0|3,0,0]=4 38 B15R2.2167 C(N1CCCCCC1)c2ccccc2 CSC000174435 [0,0,0,1,0,0|3,0,0]=4 39 B13R1.24 CC(CNCCO)c1ccccc1 CSC000200478 [0,0,0,0,1,0|3,0,0]=4 40 B13R1.24 CC(NCCCO)c1ccccc1 CSC000185500 [0,0,0,0,1,0|1,0,0]=2 41 B13R1.24 CC(NCCCO)c1ccccn1 CSC000189390 [0,0,0,0,1,0|2,0,0]=3 42 B13R1.24 CC(NCCCO)c1cccnc1 CSC000186675 [0,0,0,0,1,0|2,0,0]=3 43 B13R1.24 CCCNCC(C)c1ccccc1 CSC000201663 [0,0,0,0,1,0|3,0,0]=4 44 B15R1.78 CCCCNC(=O)CCc1ccccc1 CSC000002837 [0,0,0,0,0,1|2,0,1]=4 45 B15R1.78 CCCCNC(=O)COc1ccccc1 CSC000150563 [0,0,0,0,0,1|2,0,1]=4 46 B15R1.78 CCCCNC(C)CCc1ccccc1 CSC000207725 [0,0,0,0,0,1|1,0,0]=2 47 B15R1.78 OCCCNC(=O)COc1ccccc1 CSC000191958 [0,0,0,0,0,1|2,0,1]=4 48 B12R1.8 C=CCCNCc1ccccc1 CSC011934112 [2,0,0,0,0,0|1,0,1]=4 49 B12R1.8 CCCCCNc1ccccc1 CSC000219563 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.8 CCCCCSc1ccccc1 CSC000048317 [2,0,0,0,0,0|2,0,0]=4 51 B12R1.8 CCCCNCc1ccccc1 CSC000196024 [2,0,0,0,0,0|1,0,0]=3 52 B12R1.8 CCCCNCc1ccccn1 CSC000200672 [2,0,0,0,0,0|2,0,0]=4 53 B12R1.8 CCCCNCc1cccnc1 CSC000200674 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.8 CCCCNCc1ccncc1 CSC000200698 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.8 CCSCCCc1ccccc1 CSC000053059 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.8 OCCCNCc1ccccn1 CSC000200612 [2,0,0,0,0,0|2,0,0]=4 57 B14R1.38 CC(CNCCCO)c1ccccc1 CSC000200633 [1,1,0,0,0,0|1,0,0]=3 58 B14R1.38 CCCCNCC(C)c1ccccc1 CSC000200694 [1,1,0,0,0,0|1,0,0]=3 59 B14R1.38 COCCNCC(C)c1ccccc1 CSC000200147 [1,1,0,0,0,0|2,0,0]=4 60 B14R1.123 CCCCCCNCc1ccccc1 CSC000180837 [1,1,0,0,0,0|2,0,0]=4 61 B14R1.123 OCCCCCNCc1ccccc1 CSC011629535 [1,1,0,0,0,0|2,0,0]=4 62 B14R1.520 NCCC(=O)NCCc1ccccc1 CSC011195640 [1,1,0,0,0,0|1,0,1]=4 63 B14R1.33 CC(Cc1ccc(cc1)Br)NCCN CSC014371365 [1,1,0,0,0,0|1,0,0]=3 64 B14R1.33 CC(Cc1ccc(cc1)Cl)NCCN CSC014371364 [1,1,0,0,0,0|1,0,0]=3 65 B14R1.33 CCCCN(C)Cc1ccc(cc1)C CSC048839791 [1,1,0,0,0,0|2,0,0]=4 66 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl CSC047386685 [1,1,0,0,0,0|2,0,0]=4 67 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Br CSC000152284 [1,1,0,0,0,0|1,0,1]=4 68 B14R1.33 CCCNC(=O)Cc1ccc(cc1)C CSC000206313 [1,1,0,0,0,0|1,0,1]=4 69 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Cl CSC000161753 [1,1,0,0,0,0|1,0,1]=4 70 B14R1.33 CCCNC(=O)Cc1ccc(cc1)F CSC000161764 [1,1,0,0,0,0|1,0,1]=4 71 B14R1.33 CCCNC(C)Cc1ccc(cc1)Br CSC011335350 [1,1,0,0,0,0|0,0,0]=2 72 B14R1.33 CCCNC(C)Cc1ccc(cc1)Cl CSC011334621 [1,1,0,0,0,0|0,0,0]=2 73 B14R1.34 CCCCN(C)Cc1cccc(c1)Br CSC000174687 [1,1,0,0,0,0|2,0,0]=4 74 B14R1.34 CCCNC(=O)Cc1cccc(c1)Br CSC011713799 [1,1,0,0,0,0|1,0,1]=4 75 B14R1.34 CCCNC(=O)Cc1cccc(c1)Cl CSC011795153 [1,1,0,0,0,0|1,0,1]=4 76 B14R1.34 CCCNC(=O)Cc1cccc(c1)F CSC000161803 [1,1,0,0,0,0|1,0,1]=4 77 B14R1.34 CCCNC(=O)Cc1cccc(c1)N CSC011690089 [1,1,0,0,0,0|1,0,1]=4 78 B14R1.467 CCN(CCCN)Cc1ccccc1 CSC011249954 [1,1,0,0,0,0|2,0,0]=4 79 B14R1.946 CCCCN(C)Cc1ccccc1Br CSC000174686 [1,1,0,0,0,0|2,0,0]=4 80 B14R1.946 CCCCN(C)Cc1ccccc1Cl CSC033590047 [1,1,0,0,0,0|2,0,0]=4 81 B14R1.946 CCCCN(C)Cc1ccccc1F CSC046992606 [1,1,0,0,0,0|2,0,0]=4 82 B14R1.946 CCCNC(=O)Cc1ccccc1Cl CSC000161805 [1,1,0,0,0,0|1,0,1]=4 83 B14R1.946 CCCNC(=O)Cc1ccccc1F CSC000161780 [1,1,0,0,0,0|1,0,1]=4 84 B14R1.946 CCCNC(=O)Cc1ccccc1N CSC011193707 [1,1,0,0,0,0|1,0,1]=4 85 B14R1.1035 CNCCNC(C)c1ccccc1Cl CSC017360906 [0,1,0,0,1,0|2,0,0]=4 86 B14R1.731 CCC(C)CNC(C)Cc1cccs1 CSC011335129 [0,1,0,0,1,0|2,0,0]=4 87 B16R1.51 CC(CCc1ccc(cc1)O)NCCCO CSC000306068 [0,1,0,0,0,1|1,0,0]=3 88 B16R1.51 CCCCNC(C)CCc1ccc(cc1)O CSC000303219 [0,1,0,0,0,1|1,0,0]=3 89 B16R1.51 COCCNC(C)CCc1ccc(cc1)O CSC000302709 [0,1,0,0,0,1|2,0,0]=4 90 B16R1.52 CC(CCc1cccc(c1)C)NCCCO CSC005498015 [0,1,0,0,0,1|1,0,0]=3 91 B16R1.52 COCCNC(C)CCc1cccc(c1)C CSC005498010 [0,1,0,0,0,1|2,0,0]=4 92 B16R1.688 CC(CCc1ccccc1)NCCCCO CSC005569248 [0,1,0,0,0,1|1,0,0]=3 93 B16R1.688 CCOCCNC(C)CCc1ccccc1 CSC000278094 [0,1,0,0,0,1|1,0,0]=3 94 B16R1.688 COCCCNC(C)CCc1ccccc1 CSC000282775 [0,1,0,0,0,1|1,0,0]=3 95 B16R1.688 CSCCCNC(C)CCc1ccccc1 CSC000271622 [0,1,0,0,0,1|1,0,0]=3 96 B16R1.1570 CC(CCc1ccccc1)NC(=O)CCN CSC005505969 [0,1,0,0,0,1|1,0,1]=4 97 B16R1.1570 COCC(C)NC(C)CCc1ccccc1 CSC000303080 [0,1,0,0,0,1|2,0,0]=4 98 B16R1.54 CC(Cc1ccc(cc1)F)NCCCCO CSC005707637 [0,2,0,0,0,0|1,0,0]=3 99 B16R1.54 CCOCCNC(C)Cc1ccc(cc1)F CSC005707642 [0,2,0,0,0,0|1,0,0]=3 100 B16R1.54 COCCCNC(C)Cc1ccc(cc1)F CSC005707658 [0,2,0,0,0,0|1,0,0]=3 101 B16R1.54 CSCCCNC(C)Cc1ccc(cc1)Cl CSC000362194 [0,2,0,0,0,0|1,0,0]=3 102 B16R1.54 CSCCCNC(C)Cc1ccc(cc1)F CSC005471329 [0,2,0,0,0,0|1,0,0]=3 103 B16R1.4621 CSCCCNC(C)Cc1ccccc1C CSC005468180 [0,2,0,0,0,0|1,0,0]=3 104 B16R1.4621 CSCCCNC(C)Cc1ccccc1F CSC005536686 [0,2,0,0,0,0|1,0,0]=3 105 B16R1.915 CC(NC(=O)CCN)C(C)c1ccccc1 CSC057308405 [0,2,0,0,0,0|1,0,1]=4 106 B16R1.2925 CCC(O)CNC(C)C(C)c1ccccc1 CSC018473712 [0,2,0,0,0,0|1,0,0]=3 107 B16R1.658 CC(Cc1ccc(cc1)Cl)N(C)CCC#N CSC026543547 [0,2,0,0,0,0|1,0,1]=4 108 B16R1.955 CC(Cc1ccc(cc1)Br)NC(=O)CCN CSC000363873 [0,2,0,0,0,0|1,0,1]=4 109 B16R1.955 COCC(C)NC(C)Cc1ccc(cc1)Br CSC005652624 [0,2,0,0,0,0|2,0,0]=4 110 B16R1.956 CC(Cc1cccc(c1)Br)NC(=O)CCN CSC057535519 [0,2,0,0,0,0|1,0,1]=4 111 B16R1.936 CCC(Cc1ccccc1)NC(=O)CCN CSC057100577 [0,2,0,0,0,0|1,0,1]=4 112 B16R1.936 CCCC(=O)NC(CC)Cc1ccccc1 CSC046829180 [0,2,0,0,0,0|1,0,1]=4 113 B16R1.4235 CC(Cc1ccccc1Br)NC(=O)CCN CSC056700640 [0,2,0,0,0,0|1,0,1]=4 114 B16R1.4235 CC(Cc1ccccc1C)NC(=O)CCN CSC005467969 [0,2,0,0,0,0|1,0,1]=4 115 B16R1.4235 CC(Cc1ccccc1F)NC(=O)CCN CSC056811538 [0,2,0,0,0,0|1,0,1]=4 116 B16R1.4235 COCC(C)NC(C)Cc1ccccc1C CSC005652682 [0,2,0,0,0,0|2,0,0]=4 117 B16R1.4235 COCC(C)NC(C)Cc1ccccc1F CSC006331650 [0,2,0,0,0,0|2,0,0]=4 118 B16R1.7391 CCCCNC(C)Cc1ccccc1OC CSC000366809 [0,2,0,0,0,0|1,0,0]=3 119 B16R1.7391 COCCNC(C)Cc1ccccc1OC CSC000366595 [0,2,0,0,0,0|2,0,0]=4 120 B16R1.7391 COc1ccccc1CC(C)NCCCO CSC000367114 [0,2,0,0,0,0|1,0,0]=3 121 B14R2.3 CCCCN1CCc2c1cccc2 CSC000020999 [1,0,0,1,0,0|1,0,0]=3 122 B14R2.3 NCCCN1CCc2c1cccc2 CSC011191709 [1,0,0,1,0,0|1,0,0]=3 123 B14R2.101 C(Cc1ccccn1)N2CCCC2 CSC000177514 [1,0,0,1,0,0|2,0,0]=4 124 B14R2.101 C(Cc1ccncc1)N2CCCC2 CSC000177511 [1,0,0,1,0,0|2,0,0]=4 125 B14R2.19 O[C@H]1CCN(C1)Cc2ccccc2 CSC011474267 [1,0,0,1,0,0|2,0,0]=4 126 B14R2.67 CCCCN1Cc2ccccc2C1 CSC015379796 [1,0,0,1,0,0|2,0,0]=4 127 B14R2.67 CCCNC1Cc2ccccc2C1 CSC000714246 [1,0,0,1,0,0|0,0,0]=2 128 B14R2.67 NCCCN1Cc2ccccc2C1 CSC000217548 [1,0,0,1,0,0|2,0,0]=4 129 B16R2.252 NC1CCCC(C1)NCc2ccccc2 CSC012578548 [0,0,0,1,0,1|2,0,0]=4 130 B16R2.252 OC1CCCC(C1)NCc2ccccc2 CSC011338147 [0,0,0,1,0,1|2,0,0]=4 131 B16R2.2238 CC(NCc1ccccc1)C2CCCO2 CSC011235684 [0,0,0,1,0,1|2,0,0]=4 132 B16R2.2270 CCCCNC1CC(C1)c2ccccc2 CSC011328211 [0,0,0,1,0,1|1,0,0]=3 133 B16R2.2270 COCCNC1CC(C1)c2ccccc2 CSC011328206 [0,0,0,1,0,1|2,0,0]=4 134 B16R2.2270 OCCCNC1CC(C1)c2ccccc2 CSC011328212 [0,0,0,1,0,1|1,0,0]=3 135 B16R2.3193 CC(CCc1ccccc1)NC2CC2C CSC011669143 [0,0,0,1,0,1|1,0,0]=3 136 B16R2.44148 CC(CCc1ccccc1)NC2CCC2 CSC011550405 [0,0,0,1,0,1|1,0,0]=3 137 B16R2.92 CCNC1CCC(C1)Cc2ccccc2 CSC012090412 [0,1,0,1,0,0|2,0,0]=4 138 B16R2.92 NCCN1CCC(C1)Cc2ccccc2 CSC018681559 [0,1,0,1,0,0|2,0,0]=4 139 B16R2.33345 CC(Cc1ccc(cc1)Br)NCC2CC2 CSC011335346 [0,1,0,1,0,0|1,0,0]=3 140 B16R2.33345 CC(Cc1ccc(cc1)Cl)NCC2CC2 CSC011334618 [0,1,0,1,0,0|1,0,0]=3 141 B16R2.33345 CC(Cc1ccc(cc1)O)NCC2CC2 CSC011856805 [0,1,0,1,0,0|1,0,0]=3 142 B16R2.33353 CC(Cc1ccc(cc1)Br)NC2CCC2 CSC011550554 [0,1,0,1,0,0|1,0,0]=3 143 B16R2.734 NCCC(=O)NC1Cc2ccccc2C1 CSC013856355 [0,1,0,1,0,0|1,0,1]=4 144 B16R2.29842 CC1Cc2ccccc2N1C(=O)CCN CSC011208580 [0,1,0,1,0,0|1,0,1]=4 145 B16R2.1181 CCC(C)CNC1Cc2ccccc2C1 CSC011730945 [0,1,0,1,0,0|1,0,0]=3 146 B16R2.24867 CC(Cc1ccccc1C)NCC2CC2 CSC011376514 [0,1,0,1,0,0|1,0,0]=3 147 B16R2.24867 CC(Cc1ccccc1F)NCC2CC2 CSC011789398 [0,1,0,1,0,0|1,0,0]=3 148 B12R1.30 CC(NCC#C)c1ccccc1 CSC000216251 [1,0,0,0,1,0|0,0,2]=4 149 B12R1.30 CC(NCCO)c1ccccc1 CSC000224688 [1,0,0,0,1,0|1,0,0]=3 150 B12R1.30 CC(NCCO)c1ccccn1 CSC000713832 [1,0,0,0,1,0|2,0,0]=4 151 B12R1.30 CCCNC(=O)c1ccccc1 CSC000161722 [1,0,0,0,1,0|1,0,1]=4 152 B12R1.30 CCCNC(C)c1ccccc1 CSC000187307 [1,0,0,0,1,0|0,0,0]=2 153 B12R1.30 CN(CCCN)c1ccccc1 CSC000211881 [1,0,0,0,1,0|2,0,0]=4 154 B12R1.30 C[C@@H](NCC=C)c1ccccc1 CSC011934170 [1,0,0,0,1,0|0,0,2]=4 155 B12R1.30 C[C@@H](NCCO)c1ccccc1 CSC000753783 [1,0,0,0,1,0|1,0,0]=3