0 B15R1.959 CCC(C)CNCC(O)c1cccnc1 2230a_100020605170_100000748023 [0,0,0,0,0,0|4,0,0]=4 1 B15R1.959 CCC(C)CNCC(O)c1cccnc1 270004a_100020605170_100000243153 [0,0,0,0,0,0|4,0,0]=4 2 B15R1.959 CC[C@H](C)CNCC(O)c1cccnc1 2230a_100020605170_100009816398 [0,0,0,0,0,0|4,0,0]=4 3 B15R1.959 C[C@@H](CO)CNCC(O)c1cccnc1 2230a_100020605170_100000059175 [0,0,0,0,0,0|3,0,1]=4 4 B14R1.420 C=C(C)CNCC(O)c1cccnc1 2230a_100020605170_100000748629 [1,0,0,0,0,0|3,0,0]=4 5 B14R1.420 CC(=O)COCC(O)c1ccccc1 34a_100000211253_100000185958 [1,0,0,0,0,0|3,0,0]=4 6 B14R1.420 CC(=O)COC[C@@H](O)c1ccccc1 34a_100000211253_100011933945 [1,0,0,0,0,0|3,0,0]=4 7 B14R1.420 CC(=O)NCCC(O)c1ccccc1 240690a_100000763605_100015343762 [1,0,0,0,0,0|3,0,0]=4 8 B14R1.420 CC(=O)NCCC(O)c1ccccc1 527a_100000763605_100103153847 [1,0,0,0,0,0|3,0,0]=4 9 B14R1.420 CC(C)CNCC(O)c1cccnc1 2230a_100020605170_100000210760 [1,0,0,0,0,0|3,0,0]=4 10 B14R1.420 CC(C)CNCC(O)c1cccnc1 270004a_100020605170_100000210432 [1,0,0,0,0,0|3,0,0]=4 11 B14R1.420 CC(NCCN(C)C)c1cccnc1 269862a_100000210585_100000210468 [1,0,0,0,0,0|3,0,0]=4 12 B14R1.420 CC(O)CNCC(O)c1cccnc1 2230a_100020605170_100011218427 [1,0,0,0,0,0|2,0,1]=4 13 B14R1.420 C[C@@H](O)CNCC(O)c1cccnc1 2230a_100020605170_100009817552 [1,0,0,0,0,0|2,0,1]=4 14 B14R1.420 NC(=O)CNCC(O)c1cccnc1 2230a_100020605170_100000747473 [1,0,0,0,0,0|3,0,0]=4 15 B14R1.716 CCN(C)CCCCc1ccccc1 2230a_100000225621_100000701786 [1,0,0,0,0,0|3,0,0]=4 16 B14R1.716 CCN(C)CCCCc1ccccc1 2230a_100000741445_100000210202 [1,0,0,0,0,0|3,0,0]=4 17 B14R1.716 CCN(C)CCCCc1ccccc1 269982a_100000225621_100000701786 [1,0,0,0,0,0|3,0,0]=4 18 B14R1.716 CCN(C)CCCCc1ccccc1 269982a_100000741445_100000204670 [1,0,0,0,0,0|3,0,0]=4 19 B14R1.716 CCN(C)CCCCc1ccccc1 34a_100000741445_100000210202 [1,0,0,0,0,0|3,0,0]=4 20 B14R1.716 CCN(C)CCCOc1cccnc1 7a_100000210849_100015186262 [1,0,0,0,0,0|3,0,0]=4 21 B14R1.716 CCN(C)CCCSc1cccnc1 62a_100000210063_100015186262 [1,0,0,0,0,0|3,0,0]=4 22 B14R1.716 CN(CF)CCCCc1ccccc1 269982a_100000741445_100015361967 [1,0,0,0,0,0|3,0,0]=4 23 B14R1.716 CN(CF)CCCCc1ccccc1 34a_100000741445_100015361967 [1,0,0,0,0,0|3,0,0]=4 24 B16R1.1106 CNC(CCCN(C)N=O)c1cccnc1 269862a_106832991636_200000033969 [0,1,0,0,0,0|1,0,0]=2 25 B16R2.120 CN1CCC(CC1)C(O)c2ccccc2 2230a_100000735454_200000210301 [0,0,0,1,0,0|3,0,0]=4 26 B16R2.120 CN1CCC(CC1)C(O)c2ccccc2 269982a_100000735454_200000210301 [0,0,0,1,0,0|3,0,0]=4 27 B16R2.120 CN1CCC(CC1)C(O)c2ccccc2 34a_100000735454_200000210301 [0,0,0,1,0,0|3,0,0]=4 28 B16R2.120 [13CH3]N1CCC(CC1)C(O)c2ccccc2 2230a_100000735454_200025704644 [0,0,0,1,0,0|3,0,0]=4 29 B16R2.120 [13CH3]N1CCC(CC1)C(O)c2ccccc2 269982a_100000735454_200025704644 [0,0,0,1,0,0|3,0,0]=4 30 B16R2.120 [13CH3]N1CCC(CC1)C(O)c2ccccc2 34a_100000735454_200025704644 [0,0,0,1,0,0|3,0,0]=4 31 B16R2.1965 CCN1CCCC(C1)(O)c2ccccc2 2230a_100025771231_100000210202 [0,0,0,1,0,0|3,0,0]=4 32 B16R2.1965 CCN1CCCC(C1)(O)c2ccccc2 269982a_100025771231_100000204670 [0,0,0,1,0,0|3,0,0]=4 33 B16R2.1965 OC1(CCCN(C1)CF)c2ccccc2 269982a_100025771231_100015361967 [0,0,0,1,0,0|3,0,0]=4 34 B14R1.163 CCN(C)CCC(O)c1ccccc1 2230a_100011218556_100000210202 [0,0,0,0,1,0|3,0,0]=4 35 B14R1.163 CCN(C)CCC(O)c1ccccc1 269982a_100011218556_100000204670 [0,0,0,0,1,0|3,0,0]=4 36 B14R1.163 CCN(C)CC[C@@H](O)c1ccccc1 2230a_100000225621_100000729684 [0,0,0,0,1,0|3,0,0]=4 37 B14R1.163 CCN(C)CC[C@@H](O)c1ccccc1 269982a_100000225621_100000729684 [0,0,0,0,1,0|3,0,0]=4 38 B14R1.163 CN(CF)CCC(O)c1ccccc1 269982a_100011218556_100015361967 [0,0,0,0,1,0|3,0,0]=4 39 B16R1.1132 CCN(C)CCCNC(C)c1cccnc1 2230a_100000195435_100015186262 [0,0,0,0,0,1|3,0,0]=4 40 B16R1.1329 CN(CCCC(=O)Cc1ccccc1)N=O 1458a_200000076914_100015291786 [0,0,0,0,0,1|1,0,2]=4 41 B16R1.1329 CN(CCCC(=O)Cc1cccnc1)N=O 1458a_200000076914_100000733263 [0,0,0,0,0,1|0,0,2]=3 42 B16R1.1329 CN(CCCC(=O)Cc1cccnn1)N=O 1458a_200000076914_100016990269 [0,0,0,0,0,1|1,0,2]=4 43 B16R1.1329 CN(CCCC(=O)Cc1cnccn1)N=O 1458a_200000076914_100016995436 [0,0,0,0,0,1|1,0,2]=4 44 B16R1.1329 CN(CCCC(=O)Cc1cncnc1)N=O 1458a_200000076914_100015196519 [0,0,0,0,0,1|1,0,2]=4 45 B16R1.1329 CN(CCCC(=O)Nc1ccccc1)N=O 11a_100000106764_200000076914 [0,0,0,0,0,1|1,0,2]=4 46 B16R1.1329 CN(CCCC(=O)Nc1ccccc1)N=O 1626a_100000106764_200000076914 [0,0,0,0,0,1|1,0,2]=4 47 B16R1.1329 CN(CCCC(=O)Nc1ccccc1)N=O 22a_100000106764_200000076914 [0,0,0,0,0,1|1,0,2]=4 48 B16R1.1329 CN(CCCC(=O)Nc1ccccc1)N=O 527a_100000106764_200000076914 [0,0,0,0,0,1|1,0,2]=4 49 B13R1.24 CCCNCC(O)c1cccnc1 2230a_100020605170_100000210303 [2,0,0,0,0,0|2,0,0]=4 50 B13R1.24 COCNCC(O)c1cccnc1 2230a_100020605170_100000766300 [2,0,0,0,0,0|2,0,0]=4 51 B13R1.24 CSCNCC(O)c1cccnc1 2230a_100020605170_100011218213 [2,0,0,0,0,0|2,0,0]=4 52 B13R1.24 O=CCNCC(O)c1cccnc1 2230a_100020605170_200015260668 [2,0,0,0,0,0|2,0,0]=4 53 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [2,0,0,0,0,0|2,0,0]=4 54 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [2,0,0,0,0,0|2,0,0]=4 55 B13R1.337 CC(=O)CCCOc1cccnc1 34a_100000210849_100000685027 [2,0,0,0,0,0|2,0,0]=4 56 B13R1.337 CC(=O)CCCOc1cccnc1 7a_100000210849_100011215641 [2,0,0,0,0,0|2,0,0]=4 57 B13R1.337 CC(=O)CCCSc1cccnc1 62a_100000210063_100011215641 [2,0,0,0,0,0|2,0,0]=4 58 B13R1.337 CC(=O)CCCSc1cccnc1 62a_100011215641_100000210063 [2,0,0,0,0,0|2,0,0]=4 59 B13R1.337 CC(=O)CCOCc1cccnc1 34a_100000759926_100000733263 [2,0,0,0,0,0|2,0,0]=4 60 B13R1.337 CC(=O)CCOCc1cccnc1 7a_100000759926_100000741622 [2,0,0,0,0,0|2,0,0]=4 61 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000053229_100000741622 [2,0,0,0,0,0|2,0,0]=4 62 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000741622_100000053229 [2,0,0,0,0,0|2,0,0]=4 63 B13R1.337 CC(=O)NCCCc1cccnc1 11a_100011532358_100015343762 [2,0,0,0,0,0|2,0,0]=4 64 B13R1.337 CC(=O)NCCCc1cccnc1 240690a_100011532358_100015343762 [2,0,0,0,0,0|2,0,0]=4 65 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100000741445_200000210301 [2,0,0,0,0,0|2,0,0]=4 66 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100102631434_100000701786 [2,0,0,0,0,0|2,0,0]=4 67 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100000741445_200000210301 [2,0,0,0,0,0|2,0,0]=4 68 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100102631434_100000701786 [2,0,0,0,0,0|2,0,0]=4 69 B13R1.337 CN(C)CCCCc1ccccc1 34a_100000741445_200000210301 [2,0,0,0,0,0|2,0,0]=4 70 B13R1.337 CN(C)CCCOc1cccnc1 7a_100000210849_100000757444 [2,0,0,0,0,0|2,0,0]=4 71 B13R1.337 CN(C)CCCSc1cccnc1 62a_100000210063_100000757444 [2,0,0,0,0,0|2,0,0]=4 72 B13R1.337 CN(C)CCNCc1cccnc1 207a_100000210585_100000209961 [2,0,0,0,0,0|2,0,0]=4 73 B13R1.337 CN(C)CCNCc1cccnc1 270004a_100000210585_100000209961 [2,0,0,0,0,0|2,0,0]=4 74 B13R1.337 CN(C)CCSCc1cccnc1 62a_100000741622_100000755713 [2,0,0,0,0,0|2,0,0]=4 75 B13R1.337 CN([13CH3])CCCCc1ccccc1 2230a_100000741445_200025704644 [2,0,0,0,0,0|2,0,0]=4 76 B13R1.337 CN([13CH3])CCCCc1ccccc1 269982a_100000741445_200025704644 [2,0,0,0,0,0|2,0,0]=4 77 B13R1.337 CN([13CH3])CCCCc1ccccc1 34a_100000741445_200025704644 [2,0,0,0,0,0|2,0,0]=4 78 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [2,0,0,0,0,0|2,0,0]=4 79 B15R1.138 O=CCCCNCC(O)c1cccnc1 2230a_100020605170_200011292268 [1,1,0,0,0,0|2,0,0]=4 80 B15R1.500 CC(=O)C(C)NCC(O)c1cccnc1 2230a_100020605170_100009814033 [1,1,0,0,0,0|2,0,0]=4 81 B15R1.778 CN(CC=O)CCCCc1ccccc1 2230a_100000741445_200015260668 [1,1,0,0,0,0|2,0,0]=4 82 B15R1.778 CN(CC=O)CCCCc1ccccc1 269982a_100000741445_200015260668 [1,1,0,0,0,0|2,0,0]=4 83 B15R1.778 CN(CC=O)CCCCc1ccccc1 34a_100000741445_200009817547 [1,1,0,0,0,0|2,0,0]=4 84 B15R1.3664 CC(=O)N(C)CCCCc1ccccc1 11a_100000741445_100015343762 [1,1,0,0,0,0|2,0,0]=4 85 B15R1.3664 CC(=O)N(C)CCCCc1ccccc1 1626a_100000741445_100015343762 [1,1,0,0,0,0|2,0,0]=4 86 B15R1.3664 CC(=O)N(C)CCCCc1ccccc1 240690a_100000741445_100015343762 [1,1,0,0,0,0|2,0,0]=4 87 B15R1.3664 CC(=O)N(C)CCCCc1ccccc1 527a_100000741445_100103153847 [1,1,0,0,0,0|2,0,0]=4 88 B17R1.618 CCN(CC)CCNCC(O)c1cccnc1 2230a_100020605170_100000700428 [0,1,0,0,0,1|2,0,0]=4 89 B17R1.1235 CC(C(=O)CCCN(C)N=O)c1ccccc1 1458a_200000076914_100000230085 [0,1,0,0,0,1|2,0,0]=4 90 B17R1.1235 CC(C(=O)CCCN(C)N=O)c1cnccn1 1458a_200000076914_200000703233 [0,1,0,0,0,1|2,0,0]=4 91 B17R1.1381 CN(CCCC(=O)Cc1ccc(nc1)Br)N=O 1458a_200000076914_100009831999 [0,1,0,0,0,1|0,0,2]=4 92 B17R1.1381 CN(CCCC(=O)Cc1ccc(nc1)Cl)N=O 1458a_200000076914_100000735431 [0,1,0,0,0,1|0,0,2]=4 93 B17R1.1381 CN(CCCC(=O)Cc1ccc(nc1)F)N=O 1458a_200000076914_100009820150 [0,1,0,0,0,1|0,0,2]=4 94 B17R1.1381 Cc1ccc(cn1)CC(=O)CCCN(C)N=O 1458a_200000076914_100016987292 [0,1,0,0,0,1|0,0,2]=4 95 B17R1.1382 CN(CCCC(=O)Cc1cncc(c1)Br)N=O 1458a_200000076914_100011740620 [0,1,0,0,0,1|0,0,2]=4 96 B17R1.1382 CN(CCCC(=O)Cc1cncc(c1)Cl)N=O 1458a_200000076914_100016992070 [0,1,0,0,0,1|0,0,2]=4 97 B17R1.1382 CN(CCCC(=O)Cc1cncc(c1)F)N=O 1458a_200000076914_100000725299 [0,1,0,0,0,1|0,0,2]=4 98 B17R1.1382 Cc1cncc(c1)CC(=O)CCCN(C)N=O 1458a_200000076914_100000716715 [0,1,0,0,0,1|0,0,2]=4 99 B17R1.24365 CN(CCCC(=O)Cc1cccnc1Br)N=O 1458a_200000076914_100010140945 [0,1,0,0,0,1|0,0,2]=4 100 B17R1.24365 CN(CCCC(=O)Cc1cccnc1Cl)N=O 1458a_200000076914_100000045678 [0,1,0,0,0,1|0,0,2]=4 101 B17R1.24365 CN(CCCC(=O)Cc1cccnc1F)N=O 1458a_200000076914_100000099810 [0,1,0,0,0,1|0,0,2]=4 102 B17R1.24365 Cc1ccncc1CC(=O)CCCN(C)N=O 1458a_200000076914_100000690890 [0,1,0,0,0,1|0,0,2]=4 103 B17R1.24365 Cc1ncccc1CC(=O)CCCN(C)N=O 1458a_200000076914_100000732876 [0,1,0,0,0,1|0,0,2]=4 104 B17R1.19360 CCNC(CCCN(C)N=O)c1cccnc1 269862a_100015525214_200000033969 [0,2,0,0,0,0|1,0,0]=3 105 B15R2.1113 CN1CCCC(C1)(O)c2ccccc2 2230a_100025771231_200000210301 [1,0,0,1,0,0|2,0,0]=4 106 B15R2.1113 CN1CCCC(C1)(O)c2ccccc2 269982a_100025771231_200000210301 [1,0,0,1,0,0|2,0,0]=4 107 B15R2.1113 [13CH3]N1CCCC(C1)(O)c2ccccc2 2230a_100025771231_200025704644 [1,0,0,1,0,0|2,0,0]=4 108 B15R2.1113 [13CH3]N1CCCC(C1)(O)c2ccccc2 269982a_100025771231_200025704644 [1,0,0,1,0,0|2,0,0]=4 109 B15R2.4083 CN1CCC(C1=O)Oc2cccnc2 34a_100000210849_100000755940 [1,0,0,1,0,0|2,0,0]=4 110 B15R2.4083 CN1CCC(C1=O)Oc2cccnc2 7a_100000210849_100000755940 [1,0,0,1,0,0|2,0,0]=4 111 B15R2.4083 CN1CCC(C1=O)Sc2cccnc2 62a_100000210063_100000755940 [1,0,0,1,0,0|2,0,0]=4 112 B15R2.4083 CN1CCC(C1=O)Sc2cccnc2 62a_100000755940_100000210063 [1,0,0,1,0,0|2,0,0]=4 113 B15R2.96 CN1CCC(CC1)(O)c2cccnc2 2230a_100011219441_200000210301 [0,0,0,1,1,0|2,0,0]=4 114 B15R2.96 CN1CCC(CC1)(O)c2cccnc2 269982a_100011219441_200000210301 [0,0,0,1,1,0|2,0,0]=4 115 B15R2.96 [13CH3]N1CCC(CC1)(O)c2cccnc2 2230a_100011219441_200025704644 [0,0,0,1,1,0|2,0,0]=4 116 B15R2.96 [13CH3]N1CCC(CC1)(O)c2cccnc2 269982a_100011219441_200025704644 [0,0,0,1,1,0|2,0,0]=4 117 B17R2.8653 CC(NC1CCN(C1=O)C)c2cccnc2 2230a_100000195435_100000755940 [0,0,0,1,0,1|2,0,0]=4 118 B17R2.10012 O=CCN1CCCC(C1)(O)c2ccccc2 2230a_100025771231_200015260668 [0,1,0,1,0,0|2,0,0]=4 119 B17R2.10012 O=CCN1CCCC(C1)(O)c2ccccc2 269982a_100025771231_200015260668 [0,1,0,1,0,0|2,0,0]=4 120 B17R2.45177 CC(=O)N1CCCC(C1)(O)c2ccccc2 11a_100025771231_100015343762 [0,1,0,1,0,0|2,0,0]=4 121 B17R2.45177 CC(=O)N1CCCC(C1)(O)c2ccccc2 240690a_100025771231_100015343762 [0,1,0,1,0,0|2,0,0]=4 122 B17R2.45177 CC(=O)N1CCCC(C1)(O)c2ccccc2 527a_100025771231_100103153847 [0,1,0,1,0,0|2,0,0]=4 123 B13R1.45 CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000070787_100000729684 [1,0,0,0,1,0|2,0,0]=4 124 B13R1.45 CC(=O)NCC(O)c1cccnc1 240690a_100020605170_100015343762 [1,0,0,0,1,0|2,0,0]=4 125 B13R1.45 CC(=O)NCC(O)c1cccnc1 527a_100020605170_100103153847 [1,0,0,0,1,0|2,0,0]=4 126 B13R1.45 CN(C)CCC(O)c1ccccc1 2230a_100011218556_200000210301 [1,0,0,0,1,0|2,0,0]=4 127 B13R1.45 CN(C)CCC(O)c1ccccc1 269982a_100011218556_200000210301 [1,0,0,0,1,0|2,0,0]=4 128 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 2230a_100102631434_100000729684 [1,0,0,0,1,0|2,0,0]=4 129 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 269982a_100102631434_100000729684 [1,0,0,0,1,0|2,0,0]=4 130 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 2230a_100011218556_200025704644 [1,0,0,0,1,0|2,0,0]=4 131 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 269982a_100011218556_200025704644 [1,0,0,0,1,0|2,0,0]=4 132 B15R1.962 CCN(C)CCCSCc1cccnc1 62a_100000741622_100015186262 [1,0,0,0,0,1|2,0,0]=4 133 B17R1.1224 CCN(C)CCCNCC(O)c1cccnc1 2230a_100020605170_100015186262 [0,0,0,0,0,2|2,0,0]=4 134 B17R1.1218 CN(CCCC(=O)CCc1cccnc1)N=O 1458a_200000076914_200011713674 [0,0,0,0,0,2|0,0,2]=4 135 B17R1.1218 CN(CCCC(=O)NCc1cccnc1)N=O 11a_100000210453_200000076914 [0,0,0,0,0,2|0,0,2]=4 136 B17R1.1218 CN(CCCC(=O)NCc1cccnc1)N=O 240690a_100000210453_200000076914 [0,0,0,0,0,2|0,0,2]=4 137 B17R1.1218 CN(CCCC(=O)NCc1cccnc1)N=O 527a_100000210453_200000076914 [0,0,0,0,0,2|0,0,2]=4 138 B17R1.1218 CN(CCCC(=O)NNc1cccnc1)N=O 22a_100000728903_200000076914 [0,0,0,0,0,2|0,0,2]=4