0 B14R1.158 CNCCCN(C)Cc1ccccc1 CSC000233375 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.44 CCCCN(C)Cc1ccccc1 CSC000006983 [1,0,0,0,0,0|2,0,1]=4 2 B13R1.44 CN(CCC#N)Cc1ccccc1 CSC000177490 [1,0,0,0,0,0|1,0,0]=2 3 B15R1.83 CCOCCNC(C)Cc1ccccn1 CSC022267398 [0,1,0,0,0,0|2,0,1]=4 4 B15R1.83 CN(CCCCC#N)Cc1ccccc1 CSC000224120 [0,1,0,0,0,0|2,0,0]=3 5 B15R1.128 CC(Cc1ccc(cc1)F)NCCCO CSC011786275 [0,1,0,0,0,0|1,0,1]=3 6 B15R1.128 CCCCNC(C)Cc1ccc(cc1)F CSC011380682 [0,1,0,0,0,0|1,0,1]=3 7 B15R1.128 COCCNC(C)Cc1ccc(cc1)Br CSC012345951 [0,1,0,0,0,0|2,0,0]=3 8 B15R1.128 COCCNC(C)Cc1ccc(cc1)F CSC011786286 [0,1,0,0,0,0|2,0,0]=3 9 B15R1.128 COCCNC(C)Cc1ccc(cc1)F CSC011786286 [0,1,0,0,0,0|2,0,0]=3 10 B15R1.1409 CC(Cc1ccccc1F)NCCCF CSC013858944 [0,1,0,0,0,0|1,0,1]=3 11 B15R1.1409 CCCCNC(C)Cc1ccccc1C CSC011376511 [0,1,0,0,0,0|1,0,1]=3 12 B15R1.1409 CCCCNC(C)Cc1ccccc1F CSC011492785 [0,1,0,0,0,0|1,0,1]=3 13 B15R1.1409 CN(CCCC#N)Cc1ccccc1Br CSC000228353 [0,1,0,0,0,0|2,0,0]=3 14 B15R1.1409 CN(CCCC#N)Cc1ccccc1F CSC000229290 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.24 CC(NCCCO)c1ccccc1 CSC000185500 [0,0,0,0,1,0|1,0,1]=3 16 B13R1.24 CC(NCCCO)c1ccccn1 CSC000189390 [0,0,0,0,1,0|2,0,1]=4 17 B13R1.24 CC(NCCCO)c1cccnc1 CSC000186675 [0,0,0,0,1,0|2,0,1]=4 18 B13R1.24 O=C(NCCC#C)c1ccccc1 CSC011979578 [0,0,0,0,1,0|2,0,1]=4 19 B15R1.78 CCCCNC(C)CCc1ccccc1 CSC000207725 [0,0,0,0,0,1|1,0,1]=3 20 B15R1.78 O=C(NCCC#C)NCc1ccccc1 CSC011990597 [0,0,0,0,0,1|2,0,1]=4 21 B12R1.8 C=CCCNCc1ccccc1 CSC011934112 [2,0,0,0,0,0|1,0,1]=4 22 B12R1.8 CCCCNCc1ccccc1 CSC000196024 [2,0,0,0,0,0|1,0,1]=4 23 B12R1.8 N#CCCCSc1ccccc1 CSC000172413 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.8 N#CCCSCc1ccccc1 CSC000172150 [2,0,0,0,0,0|1,0,0]=3 25 B14R1.38 CC(CNCCCO)c1ccccc1 CSC000200633 [1,1,0,0,0,0|1,0,1]=4 26 B14R1.38 CCCCNCC(C)c1ccccc1 CSC000200694 [1,1,0,0,0,0|1,0,1]=4 27 B14R1.38 COCCNCC(C)c1ccccc1 CSC000200147 [1,1,0,0,0,0|2,0,0]=4 28 B14R1.520 O=C(CC#N)NCCc1ccccn1 CSC011223053 [1,1,0,0,0,0|1,0,1]=4 29 B14R1.33 CC(Cc1ccc(cc1)Br)NCCN CSC014371365 [1,1,0,0,0,0|0,0,1]=3 30 B14R1.33 CC(Cc1ccc(cc1)Cl)NCCN CSC014371364 [1,1,0,0,0,0|0,0,1]=3 31 B14R1.33 CCCNC(C)Cc1ccc(cc1)Br CSC011335350 [1,1,0,0,0,0|0,0,1]=3 32 B14R1.33 CCCNC(C)Cc1ccc(cc1)Cl CSC011334621 [1,1,0,0,0,0|0,0,1]=3 33 B14R1.1035 CNCCNC(C)c1ccccc1Cl CSC017360906 [0,1,0,0,1,0|2,0,0]=4 34 B16R1.51 CC(CCc1ccc(cc1)O)NCCCO CSC000306068 [0,1,0,0,0,1|1,0,1]=4 35 B16R1.51 CCCCNC(C)CCc1ccc(cc1)O CSC000303219 [0,1,0,0,0,1|1,0,1]=4 36 B16R1.51 COCCNC(C)CCc1ccc(cc1)O CSC000302709 [0,1,0,0,0,1|2,0,0]=4 37 B16R1.52 CC(CCc1cccc(c1)C)NCCCO CSC005498015 [0,1,0,0,0,1|1,0,1]=4 38 B16R1.52 COCCNC(C)CCc1cccc(c1)C CSC005498010 [0,1,0,0,0,1|2,0,0]=4 39 B16R1.688 CC(CCc1ccccc1)NCCCCO CSC005569248 [0,1,0,0,0,1|1,0,1]=4 40 B16R1.688 CCOCCNC(C)CCc1ccccc1 CSC000278094 [0,1,0,0,0,1|1,0,1]=4 41 B16R1.688 COCCCNC(C)CCc1ccccc1 CSC000282775 [0,1,0,0,0,1|1,0,1]=4 42 B16R1.688 CSCCCNC(C)CCc1ccccc1 CSC000271622 [0,1,0,0,0,1|1,0,1]=4 43 B16R1.1516 CC(SCc1ccccc1)C(=O)NCC#N CSC026214713 [0,1,0,0,0,1|2,0,0]=4 44 B16R1.1570 COCC(C)NC(C)CCc1ccccc1 CSC000303080 [0,1,0,0,0,1|2,0,0]=4 45 B16R1.54 CC(Cc1ccc(cc1)F)NCCCCO CSC005707637 [0,2,0,0,0,0|1,0,1]=4 46 B16R1.54 CCOCCNC(C)Cc1ccc(cc1)F CSC005707642 [0,2,0,0,0,0|1,0,1]=4 47 B16R1.54 COCCCNC(C)Cc1ccc(cc1)F CSC005707658 [0,2,0,0,0,0|1,0,1]=4 48 B16R1.54 CSCCCNC(C)Cc1ccc(cc1)Cl CSC000362194 [0,2,0,0,0,0|1,0,1]=4 49 B16R1.54 CSCCCNC(C)Cc1ccc(cc1)F CSC005471329 [0,2,0,0,0,0|1,0,1]=4 50 B16R1.4621 CSCCCNC(C)Cc1ccccc1C CSC005468180 [0,2,0,0,0,0|1,0,1]=4 51 B16R1.4621 CSCCCNC(C)Cc1ccccc1F CSC005536686 [0,2,0,0,0,0|1,0,1]=4 52 B16R1.2925 CCC(O)CNC(C)C(C)c1ccccc1 CSC018473712 [0,2,0,0,0,0|1,0,1]=4 53 B16R1.658 CC(Cc1ccc(cc1)Cl)N(C)CCC#N CSC026543547 [0,2,0,0,0,0|0,0,0]=2 54 B16R1.658 CN(CCC#N)C(=O)Cc1ccc(cc1)F CSC000263352 [0,2,0,0,0,0|1,0,1]=4 55 B16R1.955 COCC(C)NC(C)Cc1ccc(cc1)Br CSC005652624 [0,2,0,0,0,0|2,0,0]=4 56 B16R1.4235 COCC(C)NC(C)Cc1ccccc1C CSC005652682 [0,2,0,0,0,0|2,0,0]=4 57 B16R1.4235 COCC(C)NC(C)Cc1ccccc1F CSC006331650 [0,2,0,0,0,0|2,0,0]=4 58 B16R1.7391 CCCCNC(C)Cc1ccccc1OC CSC000366809 [0,2,0,0,0,0|1,0,1]=4 59 B16R1.7391 COCCNC(C)Cc1ccccc1OC CSC000366595 [0,2,0,0,0,0|2,0,0]=4 60 B16R1.7391 COc1ccccc1CC(C)NCCCO CSC000367114 [0,2,0,0,0,0|1,0,1]=4 61 B14R2.3 CCCCN1CCc2c1cccc2 CSC000020999 [1,0,0,1,0,0|1,0,1]=4 62 B14R2.3 NCCCN1CCc2c1cccc2 CSC011191709 [1,0,0,1,0,0|0,0,2]=4 63 B14R2.67 CCCNC1Cc2ccccc2C1 CSC000714246 [1,0,0,1,0,0|0,0,1]=3 64 B16R2.2270 CCCCNC1CC(C1)c2ccccc2 CSC011328211 [0,0,0,1,0,1|1,0,1]=4 65 B16R2.2270 COCCNC1CC(C1)c2ccccc2 CSC011328206 [0,0,0,1,0,1|2,0,0]=4 66 B16R2.2270 OCCCNC1CC(C1)c2ccccc2 CSC011328212 [0,0,0,1,0,1|1,0,1]=4 67 B16R2.3193 CC(CCc1ccccc1)NC2CC2C CSC011669143 [0,0,0,1,0,1|1,0,1]=4 68 B16R2.44148 CC(CCc1ccccc1)NC2CCC2 CSC011550405 [0,0,0,1,0,1|1,0,1]=4 69 B16R2.33345 CC(Cc1ccc(cc1)Br)NCC2CC2 CSC011335346 [0,1,0,1,0,0|1,0,1]=4 70 B16R2.33345 CC(Cc1ccc(cc1)Cl)NCC2CC2 CSC011334618 [0,1,0,1,0,0|1,0,1]=4 71 B16R2.33345 CC(Cc1ccc(cc1)O)NCC2CC2 CSC011856805 [0,1,0,1,0,0|1,0,1]=4 72 B16R2.33353 CC(Cc1ccc(cc1)Br)NC2CCC2 CSC011550554 [0,1,0,1,0,0|1,0,1]=4 73 B16R2.2 N#CC1CCN(CC1)Cc2ccccc2 CSC011292408 [0,1,0,1,0,0|2,0,0]=4 74 B16R2.1181 CCC(C)CNC1Cc2ccccc2C1 CSC011730945 [0,1,0,1,0,0|1,0,1]=4 75 B16R2.24867 CC(Cc1ccccc1C)NCC2CC2 CSC011376514 [0,1,0,1,0,0|1,0,1]=4 76 B16R2.24867 CC(Cc1ccccc1F)NCC2CC2 CSC011789398 [0,1,0,1,0,0|1,0,1]=4 77 B12R1.30 CC(NCC#C)c1ccccc1 CSC000216251 [1,0,0,0,1,0|0,0,1]=3 78 B12R1.30 CC(NCCO)c1ccccc1 CSC000224688 [1,0,0,0,1,0|1,0,0]=3 79 B12R1.30 CC(NCCO)c1ccccn1 CSC000713832 [1,0,0,0,1,0|2,0,0]=4 80 B12R1.30 CCCNC(C)c1ccccc1 CSC000187307 [1,0,0,0,1,0|0,0,1]=3 81 B12R1.30 C[C@@H](NCC=C)c1ccccc1 CSC011934170 [1,0,0,0,1,0|0,0,2]=4 82 B12R1.30 C[C@@H](NCCO)c1ccccc1 CSC000753783 [1,0,0,0,1,0|1,0,0]=3