0 B15R2.73 C#CCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B15R2.73 C#CCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000184674 [0,0,0,0,0,0|2,0,2]=4 2 B15R2.73 C#CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000184674 [0,0,0,0,0,0|2,0,0]=2 3 B15R2.73 C#CCN(C)C1CCc2c1cccc2 2230a_100000225692_200000721974 [0,0,0,0,0,0|0,0,0]=0 4 B15R2.73 C#CCN(C)C1CCc2c1cccc2 2230a_100000740409_200000210301 [0,0,0,0,0,0|0,0,0]=0 5 B15R2.73 C#CCN(C)C1CCc2c1cccc2 34a_100000740409_200000210301 [0,0,0,0,0,0|0,0,0]=0 6 B15R2.73 C#CCN(C)c1n[nH]c2c1cccn2 27a_100000225692_100009818534 [0,0,0,0,0,0|3,0,1]=4 7 B15R2.73 C#CCN(C)c1n[nH]c2c1cncc2 27a_100000225692_100009820117 [0,0,0,0,0,0|3,0,1]=4 8 B15R2.73 C#CCN(C)c1n[nH]c2c1nccc2 27a_100000225692_100009817118 [0,0,0,0,0,0|3,0,1]=4 9 B15R2.73 C#CCN([13CH3])C1CCc2c1cccc2 2230a_100000740409_200025704644 [0,0,0,0,0,0|0,0,0]=0 10 B15R2.73 C#CCN([13CH3])C1CCc2c1cccc2 34a_100000740409_200025704644 [0,0,0,0,0,0|0,0,0]=0 11 B15R2.73 C=CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000210623 [0,0,0,0,0,0|2,0,2]=4 12 B15R2.73 C=CCN(C)C1CCc2c1cccc2 2230a_100000225617_200000721974 [0,0,0,0,0,0|0,0,2]=2 13 B15R2.73 C=CCN(C)C1CCc2c1cccc2 269982a_100000225617_200000721974 [0,0,0,0,0,0|0,0,2]=2 14 B15R2.73 CCCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000210303 [0,0,0,0,0,0|2,0,2]=4 15 B15R2.73 CCCN(C)C1CCc2c1cccc2 2230a_100000737437_200000210301 [0,0,0,0,0,0|0,0,2]=2 16 B15R2.73 CCCN(C)C1CCc2c1cccc2 2230a_100000747261_200000721974 [0,0,0,0,0,0|0,0,2]=2 17 B15R2.73 CCCN(C)C1CCc2c1cccc2 269982a_100000737437_200000210301 [0,0,0,0,0,0|0,0,2]=2 18 B15R2.73 CCCN(C)C1CCc2c1cccc2 269982a_100000747261_200000721974 [0,0,0,0,0,0|0,0,2]=2 19 B15R2.73 CCCN(C)C1CCc2c1cccc2 34a_100000737437_200000210301 [0,0,0,0,0,0|0,0,2]=2 20 B15R2.73 CCCN([13CH3])C1CCc2c1cccc2 2230a_100000737437_200025704644 [0,0,0,0,0,0|0,0,2]=2 21 B15R2.73 CCCN([13CH3])C1CCc2c1cccc2 269982a_100000737437_200025704644 [0,0,0,0,0,0|0,0,2]=2 22 B15R2.73 CCCN([13CH3])C1CCc2c1cccc2 34a_100000737437_200025704644 [0,0,0,0,0,0|0,0,2]=2 23 B15R2.73 CN(CC#N)C1CCc2c1cccc2 2230a_100000748184_200000721974 [0,0,0,0,0,0|1,0,0]=1 24 B15R2.73 CN(CCO)C1CCc2c1cccc2 2230a_100000210263_200000721974 [0,0,0,0,0,0|1,0,1]=2 25 B15R2.73 CN(CCO)C1CCc2c1cccc2 269982a_100000210263_200000721974 [0,0,0,0,0,0|1,0,1]=2 26 B15R2.73 N#CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100011214920 [0,0,0,0,0,0|3,0,0]=3 27 B15R2.73 O=C(CCF)C1CCc2c1cccc2 1458a_100000750891_100011217306 [0,0,0,0,0,0|3,0,1]=4 28 B15R2.73 O=C(CCO)C1CCc2c1cccc2 1458a_100000750891_100000211926 [0,0,0,0,0,0|3,0,1]=4 29 B14R2.3 C#CCNC1COc2c1cccc2 2230a_100000747519_100000038162 [1,0,0,0,0,0|1,0,0]=2 30 B14R2.3 C#CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000038162 [1,0,0,0,0,0|0,0,0]=1 31 B14R2.3 C#CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000184674 [1,0,0,0,0,0|0,0,0]=1 32 B14R2.3 C#CCOC1CCc2c1cccc2 34a_100000212247_100000184674 [1,0,0,0,0,0|1,0,0]=2 33 B14R2.3 C#CCOC1CCc2c1cccc2 7a_100000212247_100000038162 [1,0,0,0,0,0|1,0,0]=2 34 B14R2.3 C#CCSC1CCc2c1cccc2 62a_100000038162_200000721974 [1,0,0,0,0,0|1,0,0]=2 35 B14R2.3 C=CCNC1CCc2c1cccc2 2230a_100020586998_200000721974 [1,0,0,0,0,0|0,0,2]=3 36 B14R2.3 C=CCNC1COc2c1cccc2 2230a_100000747519_100000210623 [1,0,0,0,0,0|1,0,2]=4 37 B14R2.3 C=CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210623 [1,0,0,0,0,0|0,0,2]=3 38 B14R2.3 C=CCN[C@H]1CCc2c1cccc2 34a_100016989578_100015514636 [1,0,0,0,0,0|0,0,2]=3 39 B14R2.3 C=CCOC1CCc2c1cccc2 34a_100000212247_100015514636 [1,0,0,0,0,0|1,0,2]=4 40 B14R2.3 C=CCOC1CCc2c1cccc2 7a_100000212247_100015514636 [1,0,0,0,0,0|1,0,2]=4 41 B14R2.3 C=CCSC1CCc2c1cccc2 62a_100000210623_200000721974 [1,0,0,0,0,0|1,0,2]=4 42 B14R2.3 CCCNC1CCc2c1cccc2 269862a_100020643023_100000212051 [1,0,0,0,0,0|0,0,2]=3 43 B14R2.3 CCCNC1COc2c1cccc2 2230a_100000747519_100000210303 [1,0,0,0,0,0|1,0,2]=4 44 B14R2.3 CCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210303 [1,0,0,0,0,0|0,0,2]=3 45 B14R2.3 CCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210303 [1,0,0,0,0,0|0,0,2]=3 46 B14R2.3 CCCOC1CCc2c1cccc2 34a_100000212247_100000210303 [1,0,0,0,0,0|1,0,2]=4 47 B14R2.3 CCCOC1CCc2c1cccc2 7a_100000212247_100000210303 [1,0,0,0,0,0|1,0,2]=4 48 B14R2.3 CCCSC1CCc2c1cccc2 62a_100000210303_200000721974 [1,0,0,0,0,0|1,0,2]=4 49 B14R2.3 COCNC1COc2c1cccc2 2230a_100000747519_100000766300 [1,0,0,0,0,0|2,0,1]=4 50 B14R2.3 COCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000766300 [1,0,0,0,0,0|1,0,1]=3 51 B14R2.3 COCSC1CCc2c1cccc2 62a_100000766300_200000721974 [1,0,0,0,0,0|2,0,1]=4 52 B14R2.3 CSCNC1COc2c1cccc2 2230a_100000747519_100011218213 [1,0,0,0,0,0|2,0,1]=4 53 B14R2.3 CSCN[C@H]1CCc2c1cccc2 2230a_100016989578_100011218213 [1,0,0,0,0,0|1,0,1]=3 54 B14R2.3 CSCN[C@H]1CCc2c1cccc2 34a_100016989578_100011218213 [1,0,0,0,0,0|1,0,1]=3 55 B14R2.3 CSCOC1CCc2c1cccc2 34a_100000212247_100011218213 [1,0,0,0,0,0|2,0,1]=4 56 B14R2.3 CSCSC1CCc2c1cccc2 62a_100011218213_200000721974 [1,0,0,0,0,0|2,0,1]=4 57 B14R2.3 FCCNC1CCc2c1cccc2 269862a_100000724931_100000212051 [1,0,0,0,0,0|1,0,1]=3 58 B14R2.3 FCCNC1COc2c1cccc2 2230a_100000747519_100011217306 [1,0,0,0,0,0|2,0,1]=4 59 B14R2.3 FCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100011217306 [1,0,0,0,0,0|1,0,1]=3 60 B14R2.3 FCCN[C@H]1CCc2c1cccc2 34a_100016989578_100011217306 [1,0,0,0,0,0|1,0,1]=3 61 B14R2.3 FCCOC1CCc2c1cccc2 34a_100000212247_100011217306 [1,0,0,0,0,0|2,0,1]=4 62 B14R2.3 FCCOC1CCc2c1cccc2 7a_100000212247_100011217306 [1,0,0,0,0,0|2,0,1]=4 63 B14R2.3 FCCSC1CCc2c1cccc2 62a_100011217306_200000721974 [1,0,0,0,0,0|2,0,1]=4 64 B14R2.3 N#CCNC1COc2c1cccc2 2230a_100000747519_100011215382 [1,0,0,0,0,0|2,0,0]=3 65 B14R2.3 N#CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100011215382 [1,0,0,0,0,0|1,0,0]=2 66 B14R2.3 N#CCOC1CCc2c1cccc2 7a_100000212247_100011215382 [1,0,0,0,0,0|2,0,0]=3 67 B14R2.3 N#CCSC1CCc2c1cccc2 62a_100011215382_200000721974 [1,0,0,0,0,0|2,0,0]=3 68 B14R2.3 O=CCNC1COc2c1cccc2 2230a_100000747519_200015260668 [1,0,0,0,0,0|2,0,1]=4 69 B14R2.3 O=CCN[C@H]1CCc2c1cccc2 2230a_100016989578_200015260668 [1,0,0,0,0,0|1,0,1]=3 70 B14R2.3 O=CCN[C@H]1CCc2c1cccc2 34a_100016989578_200009817547 [1,0,0,0,0,0|1,0,1]=3 71 B14R2.3 O=CCOC1CCc2c1cccc2 34a_100000212247_200009817547 [1,0,0,0,0,0|2,0,1]=4 72 B14R2.3 O=CCOC1CCc2c1cccc2 7a_100000212247_200015260668 [1,0,0,0,0,0|2,0,1]=4 73 B14R2.3 O=CCSC1CCc2c1cccc2 62a_200015260668_200000721974 [1,0,0,0,0,0|2,0,1]=4 74 B14R2.3 OCCNC1CCc2c1cccc2 2230a_100016997473_200000721974 [1,0,0,0,0,0|1,0,1]=3 75 B14R2.3 OCCNC1CCc2c1cccc2 269862a_100000210304_100000212051 [1,0,0,0,0,0|1,0,1]=3 76 B14R2.3 OCCNC1COc2c1cccc2 2230a_100000747519_100000211926 [1,0,0,0,0,0|2,0,1]=4 77 B14R2.3 OCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000211926 [1,0,0,0,0,0|1,0,1]=3 78 B14R2.3 OCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000211926 [1,0,0,0,0,0|1,0,1]=3 79 B14R2.3 OCCOC1CCc2c1cccc2 34a_100000212247_100000211926 [1,0,0,0,0,0|2,0,1]=4 80 B14R2.3 OCCOC1CCc2c1cccc2 7a_100000212247_100000211926 [1,0,0,0,0,0|2,0,1]=4 81 B14R2.3 OCCSC1CCc2c1cccc2 62a_100000211926_200000721974 [1,0,0,0,0,0|2,0,1]=4 82 B14R2.95 CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000210202 [1,0,0,0,0,0|2,0,1]=4 83 B14R2.95 CCN(C)C1CCc2c1cccc2 2230a_100000225621_200000721974 [1,0,0,0,0,0|0,0,1]=2 84 B14R2.95 CCN(C)C1CCc2c1cccc2 269982a_100000225621_200000721974 [1,0,0,0,0,0|0,0,1]=2 85 B14R2.95 O=C(CF)C1CCc2c1cccc2 1458a_100000750891_100015361967 [1,0,0,0,0,0|3,0,0]=4 86 B16R2.37 C#CCCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000753159 [0,1,0,0,0,0|2,0,0]=3 87 B16R2.37 C#CCNC(=O)C1CCc2c1cccc2 11a_100000212058_100000750891 [0,1,0,0,0,0|2,0,0]=3 88 B16R2.37 C#CCNC(=O)C1CCc2c1cccc2 1626a_100000212058_100000750891 [0,1,0,0,0,0|2,0,0]=3 89 B16R2.37 C#CCNC(=O)C1CCc2c1cccc2 240690a_100000212058_100000750891 [0,1,0,0,0,0|2,0,0]=3 90 B16R2.37 C#CCNC(=O)C1CCc2c1cccc2 527a_100000212058_100000750891 [0,1,0,0,0,0|2,0,0]=3 91 B16R2.37 C=CCCN(C)C1CCc2c1cccc2 2230a_100020639649_200000721974 [0,1,0,0,0,0|0,0,2]=3 92 B16R2.37 C=CCCN(C)C1CCc2c1cccc2 269982a_100020639649_200000721974 [0,1,0,0,0,0|0,0,2]=3 93 B16R2.37 CC#CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000748600 [0,1,0,0,0,0|2,0,0]=3 94 B16R2.37 CCCCN(C)C1CCc2c1cccc2 2230a_100000207549_200000721974 [0,1,0,0,0,0|0,0,2]=3 95 B16R2.37 CCCCN(C)C1CCc2c1cccc2 269982a_100000207549_200000721974 [0,1,0,0,0,0|0,0,2]=3 96 B16R2.37 CN(CCC#N)C1CCc2c1cccc2 2230a_100000184479_200000721974 [0,1,0,0,0,0|0,0,1]=2 97 B16R2.37 CN(CCCO)C1CCc2c1cccc2 2230a_100000213112_200000721974 [0,1,0,0,0,0|0,0,2]=3 98 B16R2.37 CN(CCCO)C1CCc2c1cccc2 269982a_100000213112_200000721974 [0,1,0,0,0,0|0,0,2]=3 99 B16R2.37 COCCN(C)C1CCc2c1cccc2 2230a_100000743101_200000721974 [0,1,0,0,0,0|0,0,2]=3 100 B16R2.37 COCCN(C)C1CCc2c1cccc2 269982a_100000743101_200000721974 [0,1,0,0,0,0|0,0,2]=3 101 B16R2.37 CSCCN(C)C1CCc2c1cccc2 2230a_100000686725_200000721974 [0,1,0,0,0,0|0,0,2]=3 102 B16R2.37 CSCCN(C)C1CCc2c1cccc2 269982a_100000686725_200000721974 [0,1,0,0,0,0|0,0,2]=3 103 B16R2.37 N#CCCC(=O)C1CCc2c1cccc2 1458a_100000750891_100011215226 [0,1,0,0,0,0|2,0,1]=4 104 B16R2.37 N#CCNC(=O)C1CCc2c1cccc2 1626a_100000734998_100000750891 [0,1,0,0,0,0|3,0,0]=4 105 B16R2.37 N#CCNC(=O)C1CCc2c1cccc2 527a_100000734998_100000750891 [0,1,0,0,0,0|3,0,0]=4 106 B16R2.185 C#CCN(CC)C1CCc2c1cccc2 2230a_100000740409_100000210202 [0,1,0,0,0,0|0,0,0]=1 107 B16R2.185 C#CCN(CC)C1CCc2c1cccc2 2230a_100000744766_200000721974 [0,1,0,0,0,0|0,0,0]=1 108 B16R2.185 C#CCN(CC)C1CCc2c1cccc2 269982a_100000744766_200000721974 [0,1,0,0,0,0|0,0,0]=1 109 B16R2.185 C#CCN(CC)C1CCc2c1cccc2 34a_100000740409_100000210202 [0,1,0,0,0,0|0,0,0]=1 110 B16R2.185 C#CCN(CF)C1CCc2c1cccc2 34a_100000740409_100015361967 [0,1,0,0,0,0|0,0,0]=1 111 B16R2.185 CCCN(CC)C1CCc2c1cccc2 2230a_100000226822_200000721974 [0,1,0,0,0,0|0,0,2]=3 112 B16R2.185 CCCN(CC)C1CCc2c1cccc2 2230a_100000737437_100000210202 [0,1,0,0,0,0|0,0,2]=3 113 B16R2.185 CCCN(CC)C1CCc2c1cccc2 269982a_100000226822_200000721974 [0,1,0,0,0,0|0,0,2]=3 114 B16R2.185 CCCN(CC)C1CCc2c1cccc2 269982a_100000737437_100000204670 [0,1,0,0,0,0|0,0,2]=3 115 B16R2.185 CCCN(CC)C1CCc2c1cccc2 34a_100000737437_100000210202 [0,1,0,0,0,0|0,0,2]=3 116 B16R2.185 CCCN(CF)C1CCc2c1cccc2 269982a_100000737437_100015361967 [0,1,0,0,0,0|0,0,2]=3 117 B16R2.185 CCCN(CF)C1CCc2c1cccc2 34a_100000737437_100015361967 [0,1,0,0,0,0|0,0,2]=3 118 B16R2.185 CCN(CCO)C1CCc2c1cccc2 2230a_100000210973_200000721974 [0,1,0,0,0,0|1,0,1]=3 119 B16R2.185 CCN(CCO)C1CCc2c1cccc2 269982a_100000210973_200000721974 [0,1,0,0,0,0|1,0,1]=3 120 B16R2.520 C=C(C)CN(C)C1CCc2c1cccc2 2230a_100000225649_200000721974 [0,1,0,0,0,0|0,0,2]=3 121 B16R2.520 C=C(C)CN(C)C1CCc2c1cccc2 269982a_100000225649_200000721974 [0,1,0,0,0,0|0,0,2]=3 122 B16R2.520 CC(C)CN(C)C1CCc2c1cccc2 2230a_100000747067_200000721974 [0,1,0,0,0,0|0,0,2]=3 123 B16R2.520 CC(C)CN(C)C1CCc2c1cccc2 269982a_100000747067_200000721974 [0,1,0,0,0,0|0,0,2]=3 124 B16R2.520 CC(O)CN(C)C1CCc2c1cccc2 2230a_100000227577_200000721974 [0,1,0,0,0,0|0,0,2]=3 125 B16R2.520 CC(O)CN(C)C1CCc2c1cccc2 269982a_100000227577_200000721974 [0,1,0,0,0,0|0,0,2]=3 126 B16R2.520 CN(CC(=O)N)C1CCc2c1cccc2 2230a_100000739694_200000721974 [0,1,0,0,0,0|1,0,1]=3 127 B16R2.520 CN(CC(=O)O)C1CCc2c1cccc2 269956a_100000746989_200000721974 [0,1,0,0,0,0|1,0,1]=3 128 B16R2.2224 C#CC(C)C(=O)C1CCc2c1cccc2 1458a_100000750891_200000035995 [0,1,0,0,0,0|2,0,0]=3 129 B16R2.2224 CC(C#N)C(=O)C1CCc2c1cccc2 1458a_100000750891_100000703298 [0,1,0,0,0,0|3,0,0]=4 130 B16R2.2224 CC(CO)N(C)C1CCc2c1cccc2 2230a_100000693034_200000721974 [0,1,0,0,0,0|1,0,1]=3 131 B16R2.2224 CC(CO)N(C)C1CCc2c1cccc2 269982a_100000693034_200000721974 [0,1,0,0,0,0|1,0,1]=3 132 B16R2.2224 CCC(C)N(C)C1CCc2c1cccc2 2230a_100000741768_200000721974 [0,1,0,0,0,0|0,0,2]=3 133 B16R2.2224 CCC(C)N(C)C1CCc2c1cccc2 269982a_100000741768_200000721974 [0,1,0,0,0,0|0,0,2]=3 134 B16R2.29502 C#CCC(=O)C1CCc2c1ccc(c2)C 1458a_100000103084_100000184674 [0,1,0,0,0,0|2,0,0]=3 135 B16R2.29502 Cc1ccc2c(c1)CCC2C(=O)CC#N 1458a_100000103084_100011214920 [0,1,0,0,0,0|3,0,0]=4 136 B16R2.154585 C#CCC(=O)C1CC(=O)c2c1cccc2 1458a_100011220946_100010208147 [0,1,0,0,0,0|2,0,1]=4 137 B16R2.154585 C#CCN(C)C1CC(=O)c2c1cccc2 2230a_100000225692_100010208147 [0,1,0,0,0,0|0,0,1]=2 138 B16R2.154585 C#CCN(C)C1OC(=O)c2c1cccc2 2230a_100000225692_100009813457 [0,1,0,0,0,0|1,0,1]=3 139 B16R2.154585 C=CCN(C)C1CC(=O)c2c1cccc2 2230a_100000225617_100010208147 [0,1,0,0,0,0|0,0,3]=4 140 B16R2.154585 C=CCN(C)C1CC(=O)c2c1cccc2 269982a_100000225617_100010208147 [0,1,0,0,0,0|0,0,3]=4 141 B16R2.154585 CCCN(C)C1CC(=O)c2c1cccc2 2230a_100000747261_100010208147 [0,1,0,0,0,0|0,0,3]=4 142 B16R2.154585 CCCN(C)C1CC(=O)c2c1cccc2 269982a_100000747261_100010208147 [0,1,0,0,0,0|0,0,3]=4 143 B16R2.154585 CN(CC#N)C1CC(=O)c2c1cccc2 2230a_100000748184_100010208147 [0,1,0,0,0,0|1,0,1]=3 144 B16R2.154585 CN(CC#N)C1OC(=O)c2c1cccc2 2230a_100000748184_100009813457 [0,1,0,0,0,0|2,0,1]=4 145 B16R2.154585 CN(CCO)C1CC(=O)c2c1cccc2 2230a_100000210263_100010208147 [0,1,0,0,0,0|1,0,2]=4 146 B16R2.154585 CN(CCO)C1CC(=O)c2c1cccc2 269982a_100000210263_100010208147 [0,1,0,0,0,0|1,0,2]=4 147 B16R2.159766 C#CCC(=O)C1CCc2c1cc(cc2)Br 1458a_100012359375_100000184674 [0,1,0,0,0,0|2,0,0]=3 148 B16R2.159766 C#CCC(=O)C1CCc2c1cc(cc2)F 1458a_100000103086_100000184674 [0,1,0,0,0,0|2,0,0]=3 149 B16R2.159766 N#CCC(=O)C1CCc2c1cc(cc2)Br 1458a_100012359375_100011214920 [0,1,0,0,0,0|3,0,0]=4 150 B16R2.159766 N#CCC(=O)C1CCc2c1cc(cc2)F 1458a_100000103086_100011214920 [0,1,0,0,0,0|3,0,0]=4 151 B14R1.520 C#CCC(=O)CCCc1ccccc1 1458a_100011207963_100000184674 [0,0,1,0,0,0|2,0,0]=3 152 B14R1.520 C#CCC(=O)CCCc1ccccc1 1458a_100011220946_100000211621 [0,0,1,0,0,0|2,0,0]=3 153 B14R1.520 C#CCC(=O)CCCc1ccccn1 1458a_100000752327_100000184674 [0,0,1,0,0,0|3,0,0]=4 154 B14R1.520 C#CCC(=O)CCCc1ccncc1 1458a_100020654287_100000184674 [0,0,1,0,0,0|3,0,0]=4 155 B14R1.520 C#CCC(=O)CCOc1ccccc1 1458a_100000182761_100000184674 [0,0,1,0,0,0|3,0,0]=4 156 B14R1.520 C#CCC(=O)CCOc1ccccc1 1458a_100011220946_100000184471 [0,0,1,0,0,0|3,0,0]=4 157 B14R1.520 C#CCC(=O)CCSc1ccccc1 1458a_100000182436_100000184674 [0,0,1,0,0,0|3,0,0]=4 158 B14R1.520 C#CCC(=O)CCSc1ccccc1 1458a_100011220946_100000246102 [0,0,1,0,0,0|3,0,0]=4 159 B14R1.520 C#CCC(=O)COCc1ccccc1 1458a_100000230186_100000184674 [0,0,1,0,0,0|3,0,0]=4 160 B14R1.520 C#CCC(=O)CSCc1ccccc1 1458a_100000150264_100000184674 [0,0,1,0,0,0|3,0,0]=4 161 B14R1.520 C#CCC(=O)CSCc1ccccc1 1458a_100011220946_200011217039 [0,0,1,0,0,0|3,0,0]=4 162 B14R1.520 C#CCC(=O)NCCc1ccccc1 1626a_100000106460_100011220946 [0,0,1,0,0,0|3,0,0]=4 163 B14R1.520 C#CCC(=O)NCCc1ccccc1 527a_100000106460_100011220946 [0,0,1,0,0,0|3,0,0]=4 164 B14R1.520 C#CCC(C)OCCc1ccccc1 34a_100000685586_100000765856 [0,0,1,0,0,0|2,0,0]=3 165 B14R1.520 C#CCC(C)OCCc1ccccc1 7a_100000685586_100000765856 [0,0,1,0,0,0|2,0,0]=3 166 B14R1.520 C#CCC(C)OCCc1ccccn1 7a_100000685586_100015183660 [0,0,1,0,0,0|3,0,0]=4 167 B14R1.520 C#CCC(C)OCCc1cccnc1 7a_100000685586_200011713674 [0,0,1,0,0,0|3,0,0]=4 168 B14R1.520 C#CCC(C)OCCc1ccncc1 7a_100000685586_100000723409 [0,0,1,0,0,0|3,0,0]=4 169 B14R1.520 C#CCN(C)C/C=C/c1ccccc1 2230a_100000225692_100016265936 [0,0,1,0,0,0|0,0,2]=3 170 B14R1.520 C#CCN(C)C/C=C/c1ccccc1 34a_100000225692_100016265936 [0,0,1,0,0,0|0,0,2]=3 171 B14R1.520 C#CCN(C)CC#Cc1ccccc1 2230a_100000225692_100011352542 [0,0,1,0,0,0|0,0,2]=3 172 B14R1.520 C#CCN(C)CC#Cc1ccccc1 34a_100000225692_100011352542 [0,0,1,0,0,0|0,0,2]=3 173 B14R1.520 C#CCN(C)CC=Cc1ccccc1 270004a_100000225692_100000210105 [0,0,1,0,0,0|0,0,2]=3 174 B14R1.520 C#CCN(C)CCCc1ccccc1 2230a_100000225692_100000211621 [0,0,1,0,0,0|0,0,0]=1 175 B14R1.520 C#CCN(C)CCCc1ccccc1 2230a_100000693637_100000038162 [0,0,1,0,0,0|0,0,0]=1 176 B14R1.520 C#CCN(C)CCCc1ccccc1 34a_100000225692_100000211621 [0,0,1,0,0,0|0,0,0]=1 177 B14R1.520 C#CCN(C)CCOc1ccccc1 2230a_100000184383_100000038162 [0,0,1,0,0,0|1,0,0]=2 178 B14R1.520 C#CCN(C)CCOc1ccccc1 2230a_100000225692_100000184471 [0,0,1,0,0,0|1,0,0]=2 179 B14R1.520 C#CCN(C)CCOc1ccccc1 270004a_100000225692_100000758736 [0,0,1,0,0,0|1,0,0]=2 180 B14R1.520 C#CCN(C)CCOc1ccccc1 34a_100000225692_100000184471 [0,0,1,0,0,0|1,0,0]=2 181 B14R1.520 C#CCN(C)CCSc1ccccc1 2230a_100000225692_100000246102 [0,0,1,0,0,0|1,0,0]=2 182 B14R1.520 C#CCN(C)CCSc1ccccc1 34a_100000225692_100000246102 [0,0,1,0,0,0|1,0,0]=2 183 B14R1.520 C#CCN(C)COCc1ccccc1 2230a_100000225692_100000763385 [0,0,1,0,0,0|1,0,0]=2 184 B14R1.520 C#CCN(C)COCc1ccccc1 34a_100000225692_100000763385 [0,0,1,0,0,0|1,0,0]=2 185 B14R1.520 C#CCN(C)CSCc1ccccc1 2230a_100000225692_200011217039 [0,0,1,0,0,0|1,0,0]=2 186 B14R1.520 C#CCN(C)CSCc1ccccc1 34a_100000225692_200011217039 [0,0,1,0,0,0|1,0,0]=2 187 B14R1.520 C=CCN(C)CCCc1ccccc1 2230a_100000225617_100000211621 [0,0,1,0,0,0|0,0,2]=3 188 B14R1.520 C=CCN(C)CCCc1ccccc1 2230a_100000693637_100000210623 [0,0,1,0,0,0|0,0,2]=3 189 B14R1.520 C=CCN(C)CCCc1ccccc1 269982a_100000225617_100000211621 [0,0,1,0,0,0|0,0,2]=3 190 B14R1.520 C=CCN(C)CCCc1ccccc1 269982a_100000693637_100000210623 [0,0,1,0,0,0|0,0,2]=3 191 B14R1.520 C=CCN(C)CCOc1ccccc1 2230a_100000184383_100000210623 [0,0,1,0,0,0|1,0,2]=4 192 B14R1.520 C=CCN(C)CCOc1ccccc1 2230a_100000225617_100000184471 [0,0,1,0,0,0|1,0,2]=4 193 B14R1.520 C=CCN(C)CCOc1ccccc1 269982a_100000184383_100000210623 [0,0,1,0,0,0|1,0,2]=4 194 B14R1.520 C=CCN(C)CCOc1ccccc1 269982a_100000225617_100000184471 [0,0,1,0,0,0|1,0,2]=4 195 B14R1.520 C=CCN(C)CCOc1ccccc1 270004a_100000225617_100000758736 [0,0,1,0,0,0|1,0,2]=4 196 B14R1.520 C=CCN(C)CCSc1ccccc1 2230a_100000225617_100000246102 [0,0,1,0,0,0|1,0,2]=4 197 B14R1.520 C=CCN(C)CCSc1ccccc1 2230a_100000232750_200000210301 [0,0,1,0,0,0|1,0,2]=4 198 B14R1.520 C=CCN(C)CCSc1ccccc1 269982a_100000225617_100000246102 [0,0,1,0,0,0|1,0,2]=4 199 B14R1.520 C=CCN(C)CCSc1ccccc1 269982a_100000232750_200000210301 [0,0,1,0,0,0|1,0,2]=4 200 B14R1.520 C=CCN(C)COCc1ccccc1 2230a_100000225617_100000763385 [0,0,1,0,0,0|1,0,2]=4 201 B14R1.520 C=CCN(C)CSCc1ccccc1 2230a_100000225617_200011217039 [0,0,1,0,0,0|1,0,2]=4 202 B14R1.520 C=CCN(C)CSCc1ccccc1 269982a_100000225617_200011217039 [0,0,1,0,0,0|1,0,2]=4 203 B14R1.520 C=CCN([13CH3])CCSc1ccccc1 2230a_100000232750_200025704644 [0,0,1,0,0,0|1,0,2]=4 204 B14R1.520 C=CCN([13CH3])CCSc1ccccc1 269982a_100000232750_200025704644 [0,0,1,0,0,0|1,0,2]=4 205 B14R1.520 CC(CC#N)NCCc1ccccc1 2230a_100000106460_100009813641 [0,0,1,0,0,0|3,0,0]=4 206 B14R1.520 CC(CC#N)OCCc1ccccc1 7a_100000210268_100009813641 [0,0,1,0,0,0|3,0,0]=4 207 B14R1.520 CC(CC#N)SCCc1ccccc1 62a_100000765856_100009813641 [0,0,1,0,0,0|3,0,0]=4 208 B14R1.520 CC(CC#N)SCCc1ccccc1 62a_100009813641_100011218657 [0,0,1,0,0,0|3,0,0]=4 209 B14R1.520 CCCN(C)CCCc1ccccc1 2230a_100000693637_100000210303 [0,0,1,0,0,0|0,0,2]=3 210 B14R1.520 CCCN(C)CCCc1ccccc1 2230a_100000747261_100000211621 [0,0,1,0,0,0|0,0,2]=3 211 B14R1.520 CCCN(C)CCCc1ccccc1 269982a_100000693637_100000210303 [0,0,1,0,0,0|0,0,2]=3 212 B14R1.520 CCCN(C)CCCc1ccccc1 269982a_100000747261_100000211621 [0,0,1,0,0,0|0,0,2]=3 213 B14R1.520 CCCN(C)CCOc1ccccc1 2230a_100000184383_100000210303 [0,0,1,0,0,0|1,0,2]=4 214 B14R1.520 CCCN(C)CCOc1ccccc1 2230a_100000747261_100000184471 [0,0,1,0,0,0|1,0,2]=4 215 B14R1.520 CCCN(C)CCOc1ccccc1 269982a_100000184383_100000210303 [0,0,1,0,0,0|1,0,2]=4 216 B14R1.520 CCCN(C)CCOc1ccccc1 269982a_100000747261_100000184471 [0,0,1,0,0,0|1,0,2]=4 217 B14R1.520 CCCN(C)CCOc1ccccc1 270004a_100000747261_100000758736 [0,0,1,0,0,0|1,0,2]=4 218 B14R1.520 CCCN(C)CCSc1ccccc1 2230a_100000747261_100000246102 [0,0,1,0,0,0|1,0,2]=4 219 B14R1.520 CCCN(C)CCSc1ccccc1 269982a_100000747261_100000246102 [0,0,1,0,0,0|1,0,2]=4 220 B14R1.520 CCCN(C)COCc1ccccc1 2230a_100000747261_100000763385 [0,0,1,0,0,0|1,0,2]=4 221 B14R1.520 CCCN(C)CSCc1ccccc1 2230a_100000747261_200011217039 [0,0,1,0,0,0|1,0,2]=4 222 B14R1.520 CCCN(C)CSCc1ccccc1 269982a_100000747261_200011217039 [0,0,1,0,0,0|1,0,2]=4 223 B14R1.520 CN(CC#N)C/C=C/c1ccccc1 2230a_100000748184_100016265936 [0,0,1,0,0,0|1,0,2]=4 224 B14R1.520 CN(CC#N)CC#Cc1ccccc1 2230a_100000748184_100011352542 [0,0,1,0,0,0|1,0,2]=4 225 B14R1.520 CN(CC#N)CCCc1ccccc1 2230a_100000693637_100011215382 [0,0,1,0,0,0|1,0,0]=2 226 B14R1.520 CN(CC#N)CCCc1ccccc1 2230a_100000748184_100000211621 [0,0,1,0,0,0|1,0,0]=2 227 B14R1.520 CN(CC#N)CCCc1ccccc1 269982a_100000693637_100011214920 [0,0,1,0,0,0|1,0,0]=2 228 B14R1.520 CN(CC#N)CCOc1ccccc1 2230a_100000184383_100011215382 [0,0,1,0,0,0|2,0,0]=3 229 B14R1.520 CN(CC#N)CCOc1ccccc1 2230a_100000748184_100000184471 [0,0,1,0,0,0|2,0,0]=3 230 B14R1.520 CN(CC#N)CCOc1ccccc1 269982a_100000184383_100011214920 [0,0,1,0,0,0|2,0,0]=3 231 B14R1.520 CN(CC#N)CCSc1ccccc1 2230a_100000748184_100000246102 [0,0,1,0,0,0|2,0,0]=3 232 B14R1.520 CN(CC#N)COCc1ccccc1 2230a_100000748184_100000763385 [0,0,1,0,0,0|2,0,0]=3 233 B14R1.520 CN(CC#N)CSCc1ccccc1 2230a_100000748184_200011217039 [0,0,1,0,0,0|2,0,0]=3 234 B14R1.520 CN(CC=O)CCCc1ccccc1 2230a_100000693637_200015260668 [0,0,1,0,0,0|1,0,1]=3 235 B14R1.520 CN(CC=O)CCCc1ccccc1 269982a_100000693637_200015260668 [0,0,1,0,0,0|1,0,1]=3 236 B14R1.520 CN(CC=O)CCOc1ccccc1 2230a_100000184383_200015260668 [0,0,1,0,0,0|2,0,1]=4 237 B14R1.520 CN(CC=O)CCOc1ccccc1 269982a_100000184383_200015260668 [0,0,1,0,0,0|2,0,1]=4 238 B14R1.520 CN(CCF)CCCc1ccccc1 2230a_100000693637_100011217306 [0,0,1,0,0,0|1,0,1]=3 239 B14R1.520 CN(CCF)CCCc1ccccc1 269982a_100000693637_100011217306 [0,0,1,0,0,0|1,0,1]=3 240 B14R1.520 CN(CCF)CCOc1ccccc1 2230a_100000184383_100011217306 [0,0,1,0,0,0|2,0,1]=4 241 B14R1.520 CN(CCF)CCOc1ccccc1 269982a_100000184383_100011217306 [0,0,1,0,0,0|2,0,1]=4 242 B14R1.520 CN(CCO)CCCc1ccccc1 2230a_100000210263_100000211621 [0,0,1,0,0,0|1,0,1]=3 243 B14R1.520 CN(CCO)CCCc1ccccc1 2230a_100000693637_100000211926 [0,0,1,0,0,0|1,0,1]=3 244 B14R1.520 CN(CCO)CCCc1ccccc1 269982a_100000210263_100000211621 [0,0,1,0,0,0|1,0,1]=3 245 B14R1.520 CN(CCO)CCCc1ccccc1 269982a_100000693637_100000211926 [0,0,1,0,0,0|1,0,1]=3 246 B14R1.520 CN(CCO)CCOc1ccccc1 2230a_100000184383_100000211926 [0,0,1,0,0,0|2,0,1]=4 247 B14R1.520 CN(CCO)CCOc1ccccc1 2230a_100000210263_100000184471 [0,0,1,0,0,0|2,0,1]=4 248 B14R1.520 CN(CCO)CCOc1ccccc1 269982a_100000184383_100000211926 [0,0,1,0,0,0|2,0,1]=4 249 B14R1.520 CN(CCO)CCOc1ccccc1 269982a_100000210263_100000184471 [0,0,1,0,0,0|2,0,1]=4 250 B14R1.520 CN(CCO)CCOc1ccccc1 270004a_100000210263_100000758736 [0,0,1,0,0,0|2,0,1]=4 251 B14R1.520 CN(CCO)CCSc1ccccc1 2230a_100000210263_100000246102 [0,0,1,0,0,0|2,0,1]=4 252 B14R1.520 CN(CCO)CCSc1ccccc1 269982a_100000210263_100000246102 [0,0,1,0,0,0|2,0,1]=4 253 B14R1.520 CN(CCO)COCc1ccccc1 2230a_100000210263_100000763385 [0,0,1,0,0,0|2,0,1]=4 254 B14R1.520 CN(CCO)CSCc1ccccc1 2230a_100000210263_200011217039 [0,0,1,0,0,0|2,0,1]=4 255 B14R1.520 CN(CCO)CSCc1ccccc1 269982a_100000210263_200011217039 [0,0,1,0,0,0|2,0,1]=4 256 B14R1.520 COCN(C)CCCc1ccccc1 2230a_100000693637_100000766300 [0,0,1,0,0,0|1,0,1]=3 257 B14R1.520 COCN(C)CCCc1ccccc1 269982a_100000693637_100000766300 [0,0,1,0,0,0|1,0,1]=3 258 B14R1.520 COCN(C)CCOc1ccccc1 2230a_100000184383_100000766300 [0,0,1,0,0,0|2,0,1]=4 259 B14R1.520 COCN(C)CCOc1ccccc1 269982a_100000184383_100000766300 [0,0,1,0,0,0|2,0,1]=4 260 B14R1.520 CSCN(C)CCCc1ccccc1 2230a_100000693637_100011218213 [0,0,1,0,0,0|1,0,1]=3 261 B14R1.520 CSCN(C)CCCc1ccccc1 269982a_100000693637_100011218213 [0,0,1,0,0,0|1,0,1]=3 262 B14R1.520 CSCN(C)CCOc1ccccc1 2230a_100000184383_100011218213 [0,0,1,0,0,0|2,0,1]=4 263 B14R1.520 CSCN(C)CCOc1ccccc1 269982a_100000184383_100011218213 [0,0,1,0,0,0|2,0,1]=4 264 B14R1.520 C[C@@H](CC#N)NCCc1ccccc1 2230a_100016994482_100000765856 [0,0,1,0,0,0|3,0,0]=4 265 B14R1.520 N#CCC(=O)CCCc1ccccc1 1458a_100011207963_100011214920 [0,0,1,0,0,0|3,0,0]=4 266 B14R1.520 N#CCC(=O)CCCc1ccccc1 1458a_100051588842_100000211621 [0,0,1,0,0,0|3,0,0]=4 267 B14R1.604 C#CCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000184674 [0,0,1,0,0,0|2,0,0]=3 268 B14R1.604 C#CCC(=O)C(CO)c1ccccc1 1458a_100011218805_100000184674 [0,0,1,0,0,0|3,0,0]=4 269 B14R1.604 C#CCC(=O)N(CC)c1ccccc1 1626a_100000210013_100011220946 [0,0,1,0,0,0|3,0,0]=4 270 B14R1.604 C#CCC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000184674 [0,0,1,0,0,0|3,0,0]=4 271 B14R1.604 C#CCN(C)C(C=C)c1ccccc1 2230a_100000225692_200000085779 [0,0,1,0,0,0|0,0,2]=3 272 B14R1.604 C#CCN(C)C(CC)c1ccccc1 2230a_100000737544_100000038162 [0,0,1,0,0,0|0,0,0]=1 273 B14R1.604 C#CCN(C)C(CC)c1ccccn1 2230a_100011351527_100000038162 [0,0,1,0,0,0|1,0,0]=2 274 B14R1.604 C#CCN(C)C(CC)c1cccnc1 2230a_200011351541_100000038162 [0,0,1,0,0,0|1,0,0]=2 275 B14R1.604 C#CCN(C)C(CC)c1ncccn1 270004a_100000225692_200011350823 [0,0,1,0,0,0|2,0,0]=3 276 B14R1.604 C=CC(c1ccccc1)N(C)CC#N 2230a_100000748184_200000085779 [0,0,1,0,0,0|1,0,2]=4 277 B14R1.604 C=CCN(C)C(CC)c1ccccc1 2230a_100000737544_100000210623 [0,0,1,0,0,0|0,0,2]=3 278 B14R1.604 C=CCN(C)C(CC)c1ccccc1 269982a_100000737544_100000210623 [0,0,1,0,0,0|0,0,2]=3 279 B14R1.604 C=CCN(C)C(CC)c1ccccn1 2230a_100011351527_100000210623 [0,0,1,0,0,0|1,0,2]=4 280 B14R1.604 C=CCN(C)C(CC)c1ccccn1 269982a_100011351527_100000210623 [0,0,1,0,0,0|1,0,2]=4 281 B14R1.604 C=CCN(C)C(CC)c1cccnc1 2230a_200011351541_100000210623 [0,0,1,0,0,0|1,0,2]=4 282 B14R1.604 C=CCN(C)C(CC)c1cccnc1 269982a_200011351541_100000210623 [0,0,1,0,0,0|1,0,2]=4 283 B14R1.604 CCC(C(=O)CC#N)c1ccccc1 1458a_100000211302_100011214920 [0,0,1,0,0,0|3,0,0]=4 284 B14R1.604 CCC(c1ccccc1)N(C)CC#N 2230a_100000737544_100011215382 [0,0,1,0,0,0|1,0,0]=2 285 B14R1.604 CCC(c1ccccc1)N(C)CC#N 269982a_100000737544_100011214920 [0,0,1,0,0,0|1,0,0]=2 286 B14R1.604 CCC(c1ccccc1)N(C)CC=O 2230a_100000737544_200015260668 [0,0,1,0,0,0|1,0,1]=3 287 B14R1.604 CCC(c1ccccc1)N(C)CC=O 269982a_100000737544_200015260668 [0,0,1,0,0,0|1,0,1]=3 288 B14R1.604 CCC(c1ccccc1)N(C)CCF 2230a_100000737544_100011217306 [0,0,1,0,0,0|1,0,1]=3 289 B14R1.604 CCC(c1ccccc1)N(C)CCF 269982a_100000737544_100011217306 [0,0,1,0,0,0|1,0,1]=3 290 B14R1.604 CCC(c1ccccc1)N(C)CCO 2230a_100000737544_100000211926 [0,0,1,0,0,0|1,0,1]=3 291 B14R1.604 CCC(c1ccccc1)N(C)CCO 269982a_100000737544_100000211926 [0,0,1,0,0,0|1,0,1]=3 292 B14R1.604 CCC(c1ccccc1)N(C)COC 2230a_100000737544_100000766300 [0,0,1,0,0,0|1,0,1]=3 293 B14R1.604 CCC(c1ccccc1)N(C)COC 269982a_100000737544_100000766300 [0,0,1,0,0,0|1,0,1]=3 294 B14R1.604 CCC(c1ccccc1)N(C)CSC 2230a_100000737544_100011218213 [0,0,1,0,0,0|1,0,1]=3 295 B14R1.604 CCC(c1ccccc1)N(C)CSC 269982a_100000737544_100011218213 [0,0,1,0,0,0|1,0,1]=3 296 B14R1.604 CCC(c1ccccn1)N(C)CC#N 2230a_100011351527_100011215382 [0,0,1,0,0,0|2,0,0]=3 297 B14R1.604 CCC(c1ccccn1)N(C)CC#N 269982a_100011351527_100011214920 [0,0,1,0,0,0|2,0,0]=3 298 B14R1.604 CCC(c1ccccn1)N(C)CC=O 2230a_100011351527_200015260668 [0,0,1,0,0,0|2,0,1]=4 299 B14R1.604 CCC(c1ccccn1)N(C)CC=O 269982a_100011351527_200015260668 [0,0,1,0,0,0|2,0,1]=4 300 B14R1.604 CCC(c1ccccn1)N(C)CCF 2230a_100011351527_100011217306 [0,0,1,0,0,0|2,0,1]=4 301 B14R1.604 CCC(c1ccccn1)N(C)CCF 269982a_100011351527_100011217306 [0,0,1,0,0,0|2,0,1]=4 302 B14R1.604 CCC(c1ccccn1)N(C)CCO 2230a_100011351527_100000211926 [0,0,1,0,0,0|2,0,1]=4 303 B14R1.604 CCC(c1ccccn1)N(C)CCO 269982a_100011351527_100000211926 [0,0,1,0,0,0|2,0,1]=4 304 B14R1.604 CCC(c1ccccn1)N(C)COC 2230a_100011351527_100000766300 [0,0,1,0,0,0|2,0,1]=4 305 B14R1.604 CCC(c1ccccn1)N(C)COC 269982a_100011351527_100000766300 [0,0,1,0,0,0|2,0,1]=4 306 B14R1.604 CCC(c1ccccn1)N(C)CSC 2230a_100011351527_100011218213 [0,0,1,0,0,0|2,0,1]=4 307 B14R1.604 CCC(c1ccccn1)N(C)CSC 269982a_100011351527_100011218213 [0,0,1,0,0,0|2,0,1]=4 308 B14R1.604 CCC(c1cccnc1)N(C)CC#N 2230a_200011351541_100011215382 [0,0,1,0,0,0|2,0,0]=3 309 B14R1.604 CCC(c1cccnc1)N(C)CC#N 269982a_200011351541_100011214920 [0,0,1,0,0,0|2,0,0]=3 310 B14R1.604 CCC(c1cccnc1)N(C)CC=O 2230a_200011351541_200015260668 [0,0,1,0,0,0|2,0,1]=4 311 B14R1.604 CCC(c1cccnc1)N(C)CC=O 269982a_200011351541_200015260668 [0,0,1,0,0,0|2,0,1]=4 312 B14R1.604 CCC(c1cccnc1)N(C)CCF 2230a_200011351541_100011217306 [0,0,1,0,0,0|2,0,1]=4 313 B14R1.604 CCC(c1cccnc1)N(C)CCF 269982a_200011351541_100011217306 [0,0,1,0,0,0|2,0,1]=4 314 B14R1.604 CCC(c1cccnc1)N(C)CCO 2230a_200011351541_100000211926 [0,0,1,0,0,0|2,0,1]=4 315 B14R1.604 CCC(c1cccnc1)N(C)CCO 269982a_200011351541_100000211926 [0,0,1,0,0,0|2,0,1]=4 316 B14R1.604 CCC(c1cccnc1)N(C)COC 2230a_200011351541_100000766300 [0,0,1,0,0,0|2,0,1]=4 317 B14R1.604 CCC(c1cccnc1)N(C)COC 269982a_200011351541_100000766300 [0,0,1,0,0,0|2,0,1]=4 318 B14R1.604 CCC(c1cccnc1)N(C)CSC 2230a_200011351541_100011218213 [0,0,1,0,0,0|2,0,1]=4 319 B14R1.604 CCC(c1cccnc1)N(C)CSC 269982a_200011351541_100011218213 [0,0,1,0,0,0|2,0,1]=4 320 B14R1.604 CCCN(C)C(CC)c1ccccc1 2230a_100000737431_200000210301 [0,0,1,0,0,0|0,0,2]=3 321 B14R1.604 CCCN(C)C(CC)c1ccccc1 2230a_100000737544_100000210303 [0,0,1,0,0,0|0,0,2]=3 322 B14R1.604 CCCN(C)C(CC)c1ccccc1 269982a_100000737431_200000210301 [0,0,1,0,0,0|0,0,2]=3 323 B14R1.604 CCCN(C)C(CC)c1ccccc1 269982a_100000737544_100000210303 [0,0,1,0,0,0|0,0,2]=3 324 B14R1.604 CCCN(C)C(CC)c1ccccn1 2230a_100011351527_100000210303 [0,0,1,0,0,0|1,0,2]=4 325 B14R1.604 CCCN(C)C(CC)c1ccccn1 269982a_100011351527_100000210303 [0,0,1,0,0,0|1,0,2]=4 326 B14R1.604 CCCN(C)C(CC)c1cccnc1 2230a_200011351541_100000210303 [0,0,1,0,0,0|1,0,2]=4 327 B14R1.604 CCCN(C)C(CC)c1cccnc1 269982a_200011351541_100000210303 [0,0,1,0,0,0|1,0,2]=4 328 B14R1.604 CCCN([13CH3])C(CC)c1ccccc1 2230a_100000737431_200025704644 [0,0,1,0,0,0|0,0,2]=3 329 B14R1.604 CCCN([13CH3])C(CC)c1ccccc1 269982a_100000737431_200025704644 [0,0,1,0,0,0|0,0,2]=3 330 B14R1.604 CCN(c1ccccc1)C(C)CC#N 2230a_100000210013_100009813641 [0,0,1,0,0,0|3,0,0]=4 331 B14R1.604 CCN(c1ccccc1)C(C)CC#N 269982a_100000210013_100009813641 [0,0,1,0,0,0|3,0,0]=4 332 B14R1.965 C#CCC(=O)Cc1ccccc1CO 1458a_100011220946_100009816955 [0,0,1,0,0,0|3,0,0]=4 333 B14R1.965 C#CCC(=O)Cc1ccccc1OC 1458a_100000211604_100000184674 [0,0,1,0,0,0|3,0,0]=4 334 B14R1.965 C#CCC(=O)Cc1ccccc1OC 1458a_100011220946_100000210004 [0,0,1,0,0,0|3,0,0]=4 335 B14R1.965 C#CCC(=O)Cc1ccccc1SC 1458a_100011220946_100000699184 [0,0,1,0,0,0|3,0,0]=4 336 B14R1.965 C#CCC(=O)Nc1ccccc1CC 1626a_100000212081_100011220946 [0,0,1,0,0,0|3,0,0]=4 337 B14R1.965 C#CCC(=O)Nc1ccccc1CC 527a_100000212081_100011220946 [0,0,1,0,0,0|3,0,0]=4 338 B14R1.965 C#CCN(C)Cc1ccccc1C#N 2230a_100000225633_100000038162 [0,0,1,0,0,0|1,0,1]=3 339 B14R1.965 C#CCN(C)Cc1ccccc1C#N 2230a_100000225692_100000181865 [0,0,1,0,0,0|1,0,1]=3 340 B14R1.965 C#CCN(C)Cc1ccccc1C#N 34a_100000225692_100000181865 [0,0,1,0,0,0|1,0,1]=3 341 B14R1.965 C#CCN(C)Cc1ccccc1C=O 2230a_100000225692_200009853537 [0,0,1,0,0,0|1,0,1]=3 342 B14R1.965 C#CCN(C)Cc1ccccc1C=O 34a_100000225692_200009853537 [0,0,1,0,0,0|1,0,1]=3 343 B14R1.965 C#CCN(C)Cc1ccccc1CC 270004a_100000225692_100011219594 [0,0,1,0,0,0|0,0,0]=1 344 B14R1.965 C#CCN(C)Cc1ccccc1CO 2230a_100000044721_100000038162 [0,0,1,0,0,0|1,0,0]=2 345 B14R1.965 C#CCN(C)Cc1ccccc1CO 2230a_100000225692_100009816955 [0,0,1,0,0,0|1,0,0]=2 346 B14R1.965 C#CCN(C)Cc1ccccc1CO 34a_100000225692_100009816955 [0,0,1,0,0,0|1,0,0]=2 347 B14R1.965 C#CCN(C)Cc1ccccc1OC 2230a_100000184376_100000038162 [0,0,1,0,0,0|1,0,0]=2 348 B14R1.965 C#CCN(C)Cc1ccccc1OC 2230a_100000225692_100000210004 [0,0,1,0,0,0|1,0,0]=2 349 B14R1.965 C#CCN(C)Cc1ccccc1OC 270004a_100000225692_100000169842 [0,0,1,0,0,0|1,0,0]=2 350 B14R1.965 C#CCN(C)Cc1ccccc1OC 34a_100000225692_100000210004 [0,0,1,0,0,0|1,0,0]=2 351 B14R1.965 C#CCN(C)Cc1ccccc1SC 2230a_100000225692_100000699184 [0,0,1,0,0,0|1,0,0]=2 352 B14R1.965 C#CCN(C)Cc1ccccc1SC 270004a_100000225692_100011217347 [0,0,1,0,0,0|1,0,0]=2 353 B14R1.965 C#CCN(C)Cc1ccccc1SC 34a_100000225692_100000699184 [0,0,1,0,0,0|1,0,0]=2 354 B14R1.965 C#CCN(C)Cc1cccnc1C#N 2230a_100000225692_100011768898 [0,0,1,0,0,0|2,0,1]=4 355 B14R1.965 C#CCN(C)Cc1cccnc1C#N 34a_100000225692_100011768898 [0,0,1,0,0,0|2,0,1]=4 356 B14R1.965 C#CCN(C)Cc1cccnc1OC 2230a_100000225692_100020631285 [0,0,1,0,0,0|2,0,0]=3 357 B14R1.965 C#CCN(C)Cc1cccnc1OC 270004a_100000225692_100011290804 [0,0,1,0,0,0|2,0,0]=3 358 B14R1.965 C#CCN(C)Cc1cccnc1OC 34a_100000225692_100020631285 [0,0,1,0,0,0|2,0,0]=3 359 B14R1.965 C#CCN(C)Cc1ccncc1OC 2230a_100000225692_100020635607 [0,0,1,0,0,0|2,0,0]=3 360 B14R1.965 C#CCN(C)Cc1ccncc1OC 270004a_100000225692_100011361505 [0,0,1,0,0,0|2,0,0]=3 361 B14R1.965 C#CCN(C)Cc1cnccc1OC 270004a_100000225692_200011997045 [0,0,1,0,0,0|2,0,0]=3 362 B14R1.965 C#CCN(C)Cc1ncccc1C#N 2230a_100000225692_100000099805 [0,0,1,0,0,0|2,0,1]=4 363 B14R1.965 C#CCN(C)Cc1ncccc1OC 270004a_100000225692_100011912573 [0,0,1,0,0,0|2,0,0]=3 364 B14R1.965 C=CCN(C)Cc1ccccc1CC 270004a_100000225617_100011219594 [0,0,1,0,0,0|0,0,2]=3 365 B14R1.965 C=CCN(C)Cc1ccccc1CO 2230a_100000044721_100000210623 [0,0,1,0,0,0|1,0,2]=4 366 B14R1.965 C=CCN(C)Cc1ccccc1CO 2230a_100000225617_100009816955 [0,0,1,0,0,0|1,0,2]=4 367 B14R1.965 C=CCN(C)Cc1ccccc1CO 269982a_100000044721_100000210623 [0,0,1,0,0,0|1,0,2]=4 368 B14R1.965 C=CCN(C)Cc1ccccc1CO 269982a_100000225617_100009816955 [0,0,1,0,0,0|1,0,2]=4 369 B14R1.965 C=CCN(C)Cc1ccccc1OC 2230a_100000184376_100000210623 [0,0,1,0,0,0|1,0,2]=4 370 B14R1.965 C=CCN(C)Cc1ccccc1OC 2230a_100000225617_100000210004 [0,0,1,0,0,0|1,0,2]=4 371 B14R1.965 C=CCN(C)Cc1ccccc1OC 2230a_200015187769_200000210301 [0,0,1,0,0,0|1,0,2]=4 372 B14R1.965 C=CCN(C)Cc1ccccc1OC 269982a_100000184376_100000210623 [0,0,1,0,0,0|1,0,2]=4 373 B14R1.965 C=CCN(C)Cc1ccccc1OC 269982a_100000225617_100000210004 [0,0,1,0,0,0|1,0,2]=4 374 B14R1.965 C=CCN(C)Cc1ccccc1OC 269982a_200015187769_200000210301 [0,0,1,0,0,0|1,0,2]=4 375 B14R1.965 C=CCN(C)Cc1ccccc1OC 270004a_100000225617_100000169842 [0,0,1,0,0,0|1,0,2]=4 376 B14R1.965 C=CCN(C)Cc1ccccc1SC 2230a_100000225617_100000699184 [0,0,1,0,0,0|1,0,2]=4 377 B14R1.965 C=CCN(C)Cc1ccccc1SC 269982a_100000225617_100000699184 [0,0,1,0,0,0|1,0,2]=4 378 B14R1.965 C=CCN(C)Cc1ccccc1SC 270004a_100000225617_100011217347 [0,0,1,0,0,0|1,0,2]=4 379 B14R1.965 C=CCN([13CH3])Cc1ccccc1OC 2230a_200015187769_200025704644 [0,0,1,0,0,0|1,0,2]=4 380 B14R1.965 C=CCN([13CH3])Cc1ccccc1OC 269982a_200015187769_200025704644 [0,0,1,0,0,0|1,0,2]=4 381 B14R1.965 CCCN(C)Cc1ccccc1CC 270004a_100000747261_100011219594 [0,0,1,0,0,0|0,0,2]=3 382 B14R1.965 CCCN(C)Cc1ccccc1CO 2230a_100000044721_100000210303 [0,0,1,0,0,0|1,0,2]=4 383 B14R1.965 CCCN(C)Cc1ccccc1CO 2230a_100000747261_100009816955 [0,0,1,0,0,0|1,0,2]=4 384 B14R1.965 CCCN(C)Cc1ccccc1CO 269982a_100000044721_100000210303 [0,0,1,0,0,0|1,0,2]=4 385 B14R1.965 CCCN(C)Cc1ccccc1CO 269982a_100000747261_100009816955 [0,0,1,0,0,0|1,0,2]=4 386 B14R1.965 CCCN(C)Cc1ccccc1OC 2230a_100000184376_100000210303 [0,0,1,0,0,0|1,0,2]=4 387 B14R1.965 CCCN(C)Cc1ccccc1OC 2230a_100000747261_100000210004 [0,0,1,0,0,0|1,0,2]=4 388 B14R1.965 CCCN(C)Cc1ccccc1OC 2230a_200000189378_200000210301 [0,0,1,0,0,0|1,0,2]=4 389 B14R1.965 CCCN(C)Cc1ccccc1OC 269982a_100000184376_100000210303 [0,0,1,0,0,0|1,0,2]=4 390 B14R1.965 CCCN(C)Cc1ccccc1OC 269982a_100000747261_100000210004 [0,0,1,0,0,0|1,0,2]=4 391 B14R1.965 CCCN(C)Cc1ccccc1OC 269982a_200000189378_200000210301 [0,0,1,0,0,0|1,0,2]=4 392 B14R1.965 CCCN(C)Cc1ccccc1OC 270004a_100000747261_100000169842 [0,0,1,0,0,0|1,0,2]=4 393 B14R1.965 CCCN(C)Cc1ccccc1SC 2230a_100000747261_100000699184 [0,0,1,0,0,0|1,0,2]=4 394 B14R1.965 CCCN(C)Cc1ccccc1SC 269982a_100000747261_100000699184 [0,0,1,0,0,0|1,0,2]=4 395 B14R1.965 CCCN(C)Cc1ccccc1SC 270004a_100000747261_100011217347 [0,0,1,0,0,0|1,0,2]=4 396 B14R1.965 CCCN([13CH3])Cc1ccccc1OC 2230a_200000189378_200025704644 [0,0,1,0,0,0|1,0,2]=4 397 B14R1.965 CCCN([13CH3])Cc1ccccc1OC 269982a_200000189378_200025704644 [0,0,1,0,0,0|1,0,2]=4 398 B14R1.965 CCc1ccccc1CN(C)CCO 270004a_100000210263_100011219594 [0,0,1,0,0,0|1,0,1]=3 399 B14R1.965 CCc1ccccc1NC(C)CC#N 2230a_100000212081_100009813641 [0,0,1,0,0,0|3,0,0]=4 400 B14R1.965 CCc1ccccc1NC(C)CC#N 7a_100000212081_100009813641 [0,0,1,0,0,0|3,0,0]=4 401 B14R1.965 CCc1ccccc1OC(C)CC#N 7a_100000210936_100009813641 [0,0,1,0,0,0|3,0,0]=4 402 B14R1.965 CCc1ccccc1SC(C)CC#N 62a_100009813641_100011215823 [0,0,1,0,0,0|3,0,0]=4 403 B14R1.965 CCc1ccccc1SC(C)CC#N 62a_100011215823_100009813641 [0,0,1,0,0,0|3,0,0]=4 404 B14R1.965 CN(CC#N)Cc1ccccc1C#N 2230a_100000225633_100011215382 [0,0,1,0,0,0|2,0,1]=4 405 B14R1.965 CN(CC#N)Cc1ccccc1C#N 2230a_100000748184_100000181865 [0,0,1,0,0,0|2,0,1]=4 406 B14R1.965 CN(CC#N)Cc1ccccc1C#N 269982a_100000225633_100011214920 [0,0,1,0,0,0|2,0,1]=4 407 B14R1.965 CN(CC#N)Cc1ccccc1C=O 2230a_100000748184_200009853537 [0,0,1,0,0,0|2,0,1]=4 408 B14R1.965 CN(CC#N)Cc1ccccc1CO 2230a_100000044721_100011215382 [0,0,1,0,0,0|2,0,0]=3 409 B14R1.965 CN(CC#N)Cc1ccccc1CO 2230a_100000748184_100009816955 [0,0,1,0,0,0|2,0,0]=3 410 B14R1.965 CN(CC#N)Cc1ccccc1CO 269982a_100000044721_100011214920 [0,0,1,0,0,0|2,0,0]=3 411 B14R1.965 CN(CC=O)Cc1ccccc1CO 2230a_100000044721_200015260668 [0,0,1,0,0,0|2,0,1]=4 412 B14R1.965 CN(CC=O)Cc1ccccc1CO 269982a_100000044721_200015260668 [0,0,1,0,0,0|2,0,1]=4 413 B14R1.965 CN(CCF)Cc1ccccc1CO 2230a_100000044721_100011217306 [0,0,1,0,0,0|2,0,1]=4 414 B14R1.965 CN(CCF)Cc1ccccc1CO 269982a_100000044721_100011217306 [0,0,1,0,0,0|2,0,1]=4 415 B14R1.965 CN(CCO)Cc1ccccc1CO 2230a_100000044721_100000211926 [0,0,1,0,0,0|2,0,1]=4 416 B14R1.965 CN(CCO)Cc1ccccc1CO 2230a_100000210263_100009816955 [0,0,1,0,0,0|2,0,1]=4 417 B14R1.965 CN(CCO)Cc1ccccc1CO 269982a_100000044721_100000211926 [0,0,1,0,0,0|2,0,1]=4 418 B14R1.965 CN(CCO)Cc1ccccc1CO 269982a_100000210263_100009816955 [0,0,1,0,0,0|2,0,1]=4 419 B14R1.965 COCN(C)Cc1ccccc1CO 2230a_100000044721_100000766300 [0,0,1,0,0,0|2,0,1]=4 420 B14R1.965 COCN(C)Cc1ccccc1CO 269982a_100000044721_100000766300 [0,0,1,0,0,0|2,0,1]=4 421 B14R1.965 COCN(C)Cc1ccccc1OC 2230a_100000184376_100000766300 [0,0,1,0,0,0|2,0,1]=4 422 B14R1.965 COCN(C)Cc1ccccc1OC 269982a_100000184376_100000766300 [0,0,1,0,0,0|2,0,1]=4 423 B14R1.965 COc1ccccc1CN(C)CC#N 2230a_100000184376_100011215382 [0,0,1,0,0,0|2,0,0]=3 424 B14R1.965 COc1ccccc1CN(C)CC#N 2230a_100000748184_100000210004 [0,0,1,0,0,0|2,0,0]=3 425 B14R1.965 COc1ccccc1CN(C)CC#N 269982a_100000184376_100011214920 [0,0,1,0,0,0|2,0,0]=3 426 B14R1.965 COc1ccccc1CN(C)CC=O 2230a_100000184376_200015260668 [0,0,1,0,0,0|2,0,1]=4 427 B14R1.965 COc1ccccc1CN(C)CC=O 269982a_100000184376_200015260668 [0,0,1,0,0,0|2,0,1]=4 428 B14R1.965 COc1ccccc1CN(C)CCF 2230a_100000184376_100011217306 [0,0,1,0,0,0|2,0,1]=4 429 B14R1.965 COc1ccccc1CN(C)CCF 269982a_100000184376_100011217306 [0,0,1,0,0,0|2,0,1]=4 430 B14R1.965 COc1ccccc1CN(C)CCO 2230a_100000184376_100000211926 [0,0,1,0,0,0|2,0,1]=4 431 B14R1.965 COc1ccccc1CN(C)CCO 2230a_100000200488_200000210301 [0,0,1,0,0,0|2,0,1]=4 432 B14R1.965 COc1ccccc1CN(C)CCO 2230a_100000210263_100000210004 [0,0,1,0,0,0|2,0,1]=4 433 B14R1.965 COc1ccccc1CN(C)CCO 269982a_100000184376_100000211926 [0,0,1,0,0,0|2,0,1]=4 434 B14R1.965 COc1ccccc1CN(C)CCO 269982a_100000200488_200000210301 [0,0,1,0,0,0|2,0,1]=4 435 B14R1.965 COc1ccccc1CN(C)CCO 269982a_100000210263_100000210004 [0,0,1,0,0,0|2,0,1]=4 436 B14R1.965 COc1ccccc1CN(C)CCO 270004a_100000210263_100000169842 [0,0,1,0,0,0|2,0,1]=4 437 B14R1.965 COc1ccccc1CN(C)CSC 2230a_100000184376_100011218213 [0,0,1,0,0,0|2,0,1]=4 438 B14R1.965 COc1ccccc1CN(C)CSC 269982a_100000184376_100011218213 [0,0,1,0,0,0|2,0,1]=4 439 B14R1.965 COc1ccccc1CN([13CH3])CCO 2230a_100000200488_200025704644 [0,0,1,0,0,0|2,0,1]=4 440 B14R1.965 COc1ccccc1CN([13CH3])CCO 269982a_100000200488_200025704644 [0,0,1,0,0,0|2,0,1]=4 441 B14R1.965 COc1cnccc1CN(C)CC#N 2230a_100000748184_100020635607 [0,0,1,0,0,0|3,0,0]=4 442 B14R1.965 COc1ncccc1CN(C)CC#N 2230a_100000748184_100020631285 [0,0,1,0,0,0|3,0,0]=4 443 B14R1.965 CSCN(C)Cc1ccccc1CO 2230a_100000044721_100011218213 [0,0,1,0,0,0|2,0,1]=4 444 B14R1.965 CSCN(C)Cc1ccccc1CO 269982a_100000044721_100011218213 [0,0,1,0,0,0|2,0,1]=4 445 B14R1.965 CSc1ccccc1CN(C)CC#N 2230a_100000748184_100000699184 [0,0,1,0,0,0|2,0,0]=3 446 B14R1.965 CSc1ccccc1CN(C)CCO 2230a_100000210263_100000699184 [0,0,1,0,0,0|2,0,1]=4 447 B14R1.965 CSc1ccccc1CN(C)CCO 269982a_100000210263_100000699184 [0,0,1,0,0,0|2,0,1]=4 448 B14R1.965 CSc1ccccc1CN(C)CCO 270004a_100000210263_100011217347 [0,0,1,0,0,0|2,0,1]=4 449 B14R1.3348 C#CCC(=O)C(C)c1ccccc1Br 1458a_100012359601_100000184674 [0,0,1,0,0,0|3,0,0]=4 450 B14R1.3348 C#CCC(=O)C(C)c1ccccc1Cl 1458a_100011220946_100000181259 [0,0,1,0,0,0|3,0,0]=4 451 B14R1.3348 C#CCC(=O)C(C)c1ccccc1Cl 1458a_100011667492_100000184674 [0,0,1,0,0,0|3,0,0]=4 452 B14R1.3348 C#CCC(=O)C(C)c1ccccc1F 1458a_100011220946_200000741388 [0,0,1,0,0,0|3,0,0]=4 453 B14R1.3348 C#CCC(=O)N(C)c1ccccc1C 1626a_100000219699_100011220946 [0,0,1,0,0,0|3,0,0]=4 454 B14R1.3348 C#CCN(C)C(=O)c1ccccc1Br 11a_100000225692_100000188424 [0,0,1,0,0,0|2,0,1]=4 455 B14R1.3348 C#CCN(C)C(=O)c1ccccc1Br 1626a_100000225692_100000188424 [0,0,1,0,0,0|2,0,1]=4 456 B14R1.3348 C#CCN(C)C(=O)c1ccccc1Br 527a_100000225692_100000188424 [0,0,1,0,0,0|2,0,1]=4 457 B14R1.3348 C#CCN(C)C(=O)c1ccccc1C 11a_100000225692_100000212026 [0,0,1,0,0,0|1,0,1]=3 458 B14R1.3348 C#CCN(C)C(=O)c1ccccc1C 1626a_100000225692_100000212026 [0,0,1,0,0,0|1,0,1]=3 459 B14R1.3348 C#CCN(C)C(=O)c1ccccc1C 527a_100000225692_100000212026 [0,0,1,0,0,0|1,0,1]=3 460 B14R1.3348 C#CCN(C)C(=O)c1ccccc1Cl 11a_100000225692_100000185844 [0,0,1,0,0,0|2,0,1]=4 461 B14R1.3348 C#CCN(C)C(=O)c1ccccc1Cl 1626a_100000225692_100000185844 [0,0,1,0,0,0|2,0,1]=4 462 B14R1.3348 C#CCN(C)C(=O)c1ccccc1Cl 527a_100000225692_100000185844 [0,0,1,0,0,0|2,0,1]=4 463 B14R1.3348 C#CCN(C)C(=O)c1ccccc1F 11a_100000225692_100000188656 [0,0,1,0,0,0|2,0,1]=4 464 B14R1.3348 C#CCN(C)C(=O)c1ccccc1F 1626a_100000225692_100000188656 [0,0,1,0,0,0|2,0,1]=4 465 B14R1.3348 C#CCN(C)C(=O)c1ccccc1F 527a_100000225692_100000188656 [0,0,1,0,0,0|2,0,1]=4 466 B14R1.3348 C#CCN(C)C(=O)c1ccccc1I 11a_100000225692_100000187884 [0,0,1,0,0,0|2,0,1]=4 467 B14R1.3348 C#CCN(C)C(=O)c1ccccc1I 1626a_100000225692_100000187884 [0,0,1,0,0,0|2,0,1]=4 468 B14R1.3348 C#CCN(C)C(=O)c1ccccc1I 527a_100000225692_100000187884 [0,0,1,0,0,0|2,0,1]=4 469 B14R1.3348 C#CCN(C)C(=O)c1ccccc1[O-] 1626a_100000225692_100009911694 [0,0,1,0,0,0|2,0,1]=4 470 B14R1.3348 C#CCN(C)C(=O)c1ccccc1[O-] 527a_100000225692_100009911694 [0,0,1,0,0,0|2,0,1]=4 471 B14R1.3348 C#CCN(C)C(C)c1ccccc1Br 2230a_100000692418_100000038162 [0,0,1,0,0,0|1,0,0]=2 472 B14R1.3348 C#CCN(C)C(C)c1ccccc1Br 2230a_100160470769_200000210301 [0,0,1,0,0,0|1,0,0]=2 473 B14R1.3348 C#CCN(C)C(C)c1ccccc1Br 269982a_100160470769_200000210301 [0,0,1,0,0,0|1,0,0]=2 474 B14R1.3348 C#CCN(C)C(C)c1ccccc1Br 34a_100160470769_200000210301 [0,0,1,0,0,0|1,0,0]=2 475 B14R1.3348 C#CCN(C)C(C)c1ccccc1Cl 2230a_100000225692_100000181259 [0,0,1,0,0,0|1,0,0]=2 476 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 2230a_100000225692_200000741388 [0,0,1,0,0,0|1,0,0]=2 477 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 2230a_100000231110_100000038162 [0,0,1,0,0,0|1,0,0]=2 478 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 2230a_100160470640_200000210301 [0,0,1,0,0,0|1,0,0]=2 479 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 269982a_100160470640_200000210301 [0,0,1,0,0,0|1,0,0]=2 480 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 34a_100000225692_200000741388 [0,0,1,0,0,0|1,0,0]=2 481 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 34a_100000231110_100000184674 [0,0,1,0,0,0|1,0,0]=2 482 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 34a_100160470640_200000210301 [0,0,1,0,0,0|1,0,0]=2 483 B14R1.3348 C#CCN([13CH3])C(C)c1ccccc1Br 2230a_100160470769_200025704644 [0,0,1,0,0,0|1,0,0]=2 484 B14R1.3348 C#CCN([13CH3])C(C)c1ccccc1Br 269982a_100160470769_200025704644 [0,0,1,0,0,0|1,0,0]=2 485 B14R1.3348 C#CCN([13CH3])C(C)c1ccccc1Br 34a_100160470769_200025704644 [0,0,1,0,0,0|1,0,0]=2 486 B14R1.3348 C#CCN([13CH3])C(C)c1ccccc1F 2230a_100160470640_200025704644 [0,0,1,0,0,0|1,0,0]=2 487 B14R1.3348 C#CCN([13CH3])C(C)c1ccccc1F 269982a_100160470640_200025704644 [0,0,1,0,0,0|1,0,0]=2 488 B14R1.3348 C#CCN([13CH3])C(C)c1ccccc1F 34a_100160470640_200025704644 [0,0,1,0,0,0|1,0,0]=2 489 B14R1.3348 C=CCN(C)C(C)c1ccccc1Br 2230a_100000692418_100000210623 [0,0,1,0,0,0|1,0,2]=4 490 B14R1.3348 C=CCN(C)C(C)c1ccccc1Br 269982a_100000692418_100000210623 [0,0,1,0,0,0|1,0,2]=4 491 B14R1.3348 C=CCN(C)C(C)c1ccccc1Cl 2230a_100000225617_100000181259 [0,0,1,0,0,0|1,0,2]=4 492 B14R1.3348 C=CCN(C)C(C)c1ccccc1Cl 269982a_100000225617_100000181259 [0,0,1,0,0,0|1,0,2]=4 493 B14R1.3348 C=CCN(C)C(C)c1ccccc1F 2230a_100000225617_200000741388 [0,0,1,0,0,0|1,0,2]=4 494 B14R1.3348 C=CCN(C)C(C)c1ccccc1F 2230a_100000231110_100000210623 [0,0,1,0,0,0|1,0,2]=4 495 B14R1.3348 C=CCN(C)C(C)c1ccccc1F 269982a_100000225617_200000741388 [0,0,1,0,0,0|1,0,2]=4 496 B14R1.3348 C=CCN(C)C(C)c1ccccc1F 269982a_100000231110_100000210623 [0,0,1,0,0,0|1,0,2]=4 497 B14R1.3348 C=CCN(C)C(C)c1ccccc1F 34a_100000231110_100015514636 [0,0,1,0,0,0|1,0,2]=4 498 B14R1.3348 CC(c1ccccc1Br)N(C)CC#N 2230a_100000692418_100011215382 [0,0,1,0,0,0|2,0,0]=3 499 B14R1.3348 CC(c1ccccc1Br)N(C)CC#N 269982a_100000692418_100011214920 [0,0,1,0,0,0|2,0,0]=3 500 B14R1.3348 CC(c1ccccc1Br)N(C)CC=O 2230a_100000692418_200015260668 [0,0,1,0,0,0|2,0,1]=4 501 B14R1.3348 CC(c1ccccc1Br)N(C)CC=O 269982a_100000692418_200015260668 [0,0,1,0,0,0|2,0,1]=4 502 B14R1.3348 CC(c1ccccc1Br)N(C)CCF 2230a_100000692418_100011217306 [0,0,1,0,0,0|2,0,1]=4 503 B14R1.3348 CC(c1ccccc1Br)N(C)CCF 269982a_100000692418_100011217306 [0,0,1,0,0,0|2,0,1]=4 504 B14R1.3348 CC(c1ccccc1Br)N(C)CCO 2230a_100000692418_100000211926 [0,0,1,0,0,0|2,0,1]=4 505 B14R1.3348 CC(c1ccccc1Br)N(C)CCO 269982a_100000692418_100000211926 [0,0,1,0,0,0|2,0,1]=4 506 B14R1.3348 CC(c1ccccc1Cl)N(C)CC#N 2230a_100000748184_100000181259 [0,0,1,0,0,0|2,0,0]=3 507 B14R1.3348 CC(c1ccccc1Cl)N(C)CCO 2230a_100000210263_100000181259 [0,0,1,0,0,0|2,0,1]=4 508 B14R1.3348 CC(c1ccccc1Cl)N(C)CCO 269982a_100000210263_100000181259 [0,0,1,0,0,0|2,0,1]=4 509 B14R1.3348 CC(c1ccccc1F)N(C)CC#N 2230a_100000231110_100011215382 [0,0,1,0,0,0|2,0,0]=3 510 B14R1.3348 CC(c1ccccc1F)N(C)CC#N 2230a_100000748184_200000741388 [0,0,1,0,0,0|2,0,0]=3 511 B14R1.3348 CC(c1ccccc1F)N(C)CC#N 269982a_100000231110_100011214920 [0,0,1,0,0,0|2,0,0]=3 512 B14R1.3348 CC(c1ccccc1F)N(C)CC=O 2230a_100000231110_200015260668 [0,0,1,0,0,0|2,0,1]=4 513 B14R1.3348 CC(c1ccccc1F)N(C)CC=O 269982a_100000231110_200015260668 [0,0,1,0,0,0|2,0,1]=4 514 B14R1.3348 CC(c1ccccc1F)N(C)CC=O 34a_100000231110_200009817547 [0,0,1,0,0,0|2,0,1]=4 515 B14R1.3348 CC(c1ccccc1F)N(C)CCF 2230a_100000231110_100011217306 [0,0,1,0,0,0|2,0,1]=4 516 B14R1.3348 CC(c1ccccc1F)N(C)CCF 269982a_100000231110_100011217306 [0,0,1,0,0,0|2,0,1]=4 517 B14R1.3348 CC(c1ccccc1F)N(C)CCF 34a_100000231110_100011217306 [0,0,1,0,0,0|2,0,1]=4 518 B14R1.3348 CC(c1ccccc1F)N(C)CCO 2230a_100000210263_200000741388 [0,0,1,0,0,0|2,0,1]=4 519 B14R1.3348 CC(c1ccccc1F)N(C)CCO 2230a_100000231110_100000211926 [0,0,1,0,0,0|2,0,1]=4 520 B14R1.3348 CC(c1ccccc1F)N(C)CCO 269982a_100000210263_200000741388 [0,0,1,0,0,0|2,0,1]=4 521 B14R1.3348 CC(c1ccccc1F)N(C)CCO 269982a_100000231110_100000211926 [0,0,1,0,0,0|2,0,1]=4 522 B14R1.3348 CC(c1ccccc1F)N(C)CCO 34a_100000231110_100000211926 [0,0,1,0,0,0|2,0,1]=4 523 B14R1.3348 CCCN(C)C(C)c1ccccc1Br 2230a_100000692418_100000210303 [0,0,1,0,0,0|1,0,2]=4 524 B14R1.3348 CCCN(C)C(C)c1ccccc1Br 2230a_100000741022_200000210301 [0,0,1,0,0,0|1,0,2]=4 525 B14R1.3348 CCCN(C)C(C)c1ccccc1Br 269982a_100000692418_100000210303 [0,0,1,0,0,0|1,0,2]=4 526 B14R1.3348 CCCN(C)C(C)c1ccccc1Br 269982a_100000741022_200000210301 [0,0,1,0,0,0|1,0,2]=4 527 B14R1.3348 CCCN(C)C(C)c1ccccc1Cl 2230a_100000747261_100000181259 [0,0,1,0,0,0|1,0,2]=4 528 B14R1.3348 CCCN(C)C(C)c1ccccc1Cl 269982a_100000747261_100000181259 [0,0,1,0,0,0|1,0,2]=4 529 B14R1.3348 CCCN(C)C(C)c1ccccc1F 2230a_100000231110_100000210303 [0,0,1,0,0,0|1,0,2]=4 530 B14R1.3348 CCCN(C)C(C)c1ccccc1F 2230a_100000747261_200000741388 [0,0,1,0,0,0|1,0,2]=4 531 B14R1.3348 CCCN(C)C(C)c1ccccc1F 269982a_100000231110_100000210303 [0,0,1,0,0,0|1,0,2]=4 532 B14R1.3348 CCCN(C)C(C)c1ccccc1F 269982a_100000747261_200000741388 [0,0,1,0,0,0|1,0,2]=4 533 B14R1.3348 CCCN(C)C(C)c1ccccc1F 34a_100000231110_100000210303 [0,0,1,0,0,0|1,0,2]=4 534 B14R1.3348 CCCN([13CH3])C(C)c1ccccc1Br 2230a_100000741022_200025704644 [0,0,1,0,0,0|1,0,2]=4 535 B14R1.3348 CCCN([13CH3])C(C)c1ccccc1Br 269982a_100000741022_200025704644 [0,0,1,0,0,0|1,0,2]=4 536 B14R1.3348 COCN(C)C(C)c1ccccc1Br 2230a_100000692418_100000766300 [0,0,1,0,0,0|2,0,1]=4 537 B14R1.3348 COCN(C)C(C)c1ccccc1Br 269982a_100000692418_100000766300 [0,0,1,0,0,0|2,0,1]=4 538 B14R1.3348 COCN(C)C(C)c1ccccc1F 2230a_100000231110_100000766300 [0,0,1,0,0,0|2,0,1]=4 539 B14R1.3348 COCN(C)C(C)c1ccccc1F 269982a_100000231110_100000766300 [0,0,1,0,0,0|2,0,1]=4 540 B14R1.3348 CSCN(C)C(C)c1ccccc1Br 2230a_100000692418_100011218213 [0,0,1,0,0,0|2,0,1]=4 541 B14R1.3348 CSCN(C)C(C)c1ccccc1Br 269982a_100000692418_100011218213 [0,0,1,0,0,0|2,0,1]=4 542 B14R1.3348 CSCN(C)C(C)c1ccccc1F 2230a_100000231110_100011218213 [0,0,1,0,0,0|2,0,1]=4 543 B14R1.3348 CSCN(C)C(C)c1ccccc1F 269982a_100000231110_100011218213 [0,0,1,0,0,0|2,0,1]=4 544 B14R1.3348 CSCN(C)C(C)c1ccccc1F 34a_100000231110_100011218213 [0,0,1,0,0,0|2,0,1]=4 545 B14R1.3348 Cc1ccccc1C(=O)N(C)CC#N 11a_100000748184_100000212026 [0,0,1,0,0,0|2,0,1]=4 546 B14R1.3348 Cc1ccccc1C(=O)N(C)CC#N 1626a_100000748184_100000212026 [0,0,1,0,0,0|2,0,1]=4 547 B14R1.3348 Cc1ccccc1N(C)C(C)CC#N 2230a_100000219699_100009813641 [0,0,1,0,0,0|3,0,0]=4 548 B14R1.3348 Cc1ccccc1N(C)C(C)CC#N 269982a_100000219699_100009813641 [0,0,1,0,0,0|3,0,0]=4 549 B16R3.8 C1=CCN(C1)C2CCc3c2cccc3 269982a_100015195280_200000721974 [0,0,0,1,0,0|0,0,2]=3 550 B16R3.8 c1ccc2c(c1)CCC2N3CCCC3 2230a_100000188435_200000721974 [0,0,0,1,0,0|0,0,2]=3 551 B16R3.8 c1ccc2c(c1)CCC2N3CCCC3 269982a_100000188435_200000721974 [0,0,0,1,0,0|0,0,2]=3 552 B16R3.8 c1ccc2c(c1)CCC2N3CCSC3 2230a_100011215254_200000721974 [0,0,0,1,0,0|1,0,1]=3 553 B16R3.8 c1ccc2c(c1)CCC2N3CCSC3 269982a_100011215254_200000721974 [0,0,0,1,0,0|1,0,1]=3 554 B16R3.67 CC1CN(C1)C2CCc3c2cccc3 2230a_100000702820_200000721974 [0,0,0,1,0,0|0,0,2]=3 555 B16R3.67 CC1CN(C1)C2CCc3c2cccc3 269982a_100000702820_200000721974 [0,0,0,1,0,0|0,0,2]=3 556 B16R3.67 FC1CN(C1)C2CCc3c2cccc3 2230a_100000690557_200000721974 [0,0,0,1,0,0|1,0,1]=3 557 B16R3.67 FC1CN(C1)C2CCc3c2cccc3 269982a_100000690557_200000721974 [0,0,0,1,0,0|1,0,1]=3 558 B16R3.67 OC1CN(C1)C2CCc3c2cccc3 269982a_100000749847_200000721974 [0,0,0,1,0,0|1,0,1]=3 559 B16R3.2057 CN(C1CC1)C2CCc3c2cccc3 2230a_100000226674_200000721974 [0,0,0,1,0,0|0,0,2]=3 560 B16R3.2057 CN(C1CC1)C2CCc3c2cccc3 2230a_100000743053_200000210301 [0,0,0,1,0,0|0,0,2]=3 561 B16R3.2057 CN(C1CC1)C2CCc3c2cccc3 269982a_100000226674_200000721974 [0,0,0,1,0,0|0,0,2]=3 562 B16R3.2057 CN(C1CC1)C2CCc3c2cccc3 269982a_100000743053_200000210301 [0,0,0,1,0,0|0,0,2]=3 563 B16R3.2057 [13CH3]N(C1CC1)C2CCc3c2cccc3 2230a_100000743053_200025704644 [0,0,0,1,0,0|0,0,2]=3 564 B16R3.2057 [13CH3]N(C1CC1)C2CCc3c2cccc3 269982a_100000743053_200025704644 [0,0,0,1,0,0|0,0,2]=3 565 B14R2.9904 C#CCN(C)C1CCn2c1ncc2 270004a_100000225692_100009824702 [0,0,0,0,1,0|2,0,0]=3 566 B14R2.33858 C#CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000184674 [0,0,0,0,1,0|2,0,0]=3 567 B14R2.33858 C=CCN(C)C1Cc2c1cccc2 269982a_100000225617_100009813401 [0,0,0,0,1,0|0,0,2]=3 568 B14R2.33858 CCCN(C)C1Cc2c1cccc2 269982a_100000747261_100009813401 [0,0,0,0,1,0|0,0,2]=3 569 B14R2.33858 CN(CCO)C1Cc2c1cccc2 269982a_100000210263_100009813401 [0,0,0,0,1,0|1,0,1]=3 570 B14R2.33858 N#CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100011214920 [0,0,0,0,1,0|3,0,0]=4 571 B16R2.5 C#CCC(=O)CC1CCc2c1cccc2 1458a_100000756587_100000184674 [0,0,0,0,0,1|2,0,0]=3 572 B16R2.5 C#CCC(=O)CN1CCc2c1cccc2 1458a_100000742689_100000184674 [0,0,0,0,0,1|3,0,0]=4 573 B16R2.5 C#CCC(=O)NC1COc2c1cccc2 1626a_100000747519_100011220946 [0,0,0,0,0,1|3,0,0]=4 574 B16R2.5 C#CCC(=O)NC1COc2c1cccc2 527a_100000747519_100011220946 [0,0,0,0,0,1|3,0,0]=4 575 B16R2.5 C#CCC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100011220946 [0,0,0,0,0,1|2,0,0]=3 576 B16R2.5 C#CCC(=O)N[C@H]1CCc2c1cccc2 527a_100016989578_100011220946 [0,0,0,0,0,1|2,0,0]=3 577 B16R2.5 C#CCN(C)Cc1coc2c1cccc2 270004a_100000225692_100000688544 [0,0,0,0,0,1|1,0,2]=4 578 B16R2.5 C#CCN(C)Cc1csc2c1cccc2 2230a_100000225692_200000742921 [0,0,0,0,0,1|1,0,2]=4 579 B16R2.5 C#CCN(C)Cc1csc2c1cccc2 270004a_100000225692_100000239721 [0,0,0,0,0,1|1,0,2]=4 580 B16R2.5 C#CCN(C)Cc1csc2c1cccc2 34a_100000225692_200000742921 [0,0,0,0,0,1|1,0,2]=4 581 B16R2.5 C#CCN(C)Cc1n[nH]c2c1cccc2 270004a_100000225692_100000059708 [0,0,0,0,0,1|2,0,1]=4 582 B16R2.5 C#CCN(C)Cc1noc2c1cccc2 34a_100000225692_100009813815 [0,0,0,0,0,1|2,0,1]=4 583 B16R2.5 C#CCN(C)Cn1nnc2c1cccc2 2230a_100000225692_100000033166 [0,0,0,0,0,1|3,0,0]=4 584 B16R2.5 C#CCN(C)Cn1nnc2c1cccc2 34a_100000225692_100000033166 [0,0,0,0,0,1|3,0,0]=4 585 B16R2.5 CC(CC#N)NC1COc2c1cccc2 2230a_100000747519_100009813641 [0,0,0,0,0,1|3,0,0]=4 586 B16R2.5 CC(CC#N)N[C@H]1CCc2c1cccc2 2230a_100016989578_100009813641 [0,0,0,0,0,1|2,0,0]=3 587 B16R2.5 CC(CC#N)OC1CCc2c1cccc2 7a_100000212247_100009813641 [0,0,0,0,0,1|2,0,0]=3 588 B16R2.5 CC(CC#N)SC1CCc2c1cccc2 62a_100009813641_200000721974 [0,0,0,0,0,1|2,0,0]=3 589 B16R2.5 CC(CCO)N[C@H]1CCc2c1cccc2 2230a_100016989578_100009893172 [0,0,0,0,0,1|2,0,1]=4 590 B16R2.5 CC(CCO)N[C@H]1CCc2c1cccc2 34a_100016989578_100009893172 [0,0,0,0,0,1|2,0,1]=4 591 B16R2.5 CC(CCO)OC1CCc2c1cccc2 34a_100000212247_100009893172 [0,0,0,0,0,1|2,0,1]=4 592 B16R2.5 CC(CCO)OC1CCc2c1cccc2 7a_100000212247_100009893172 [0,0,0,0,0,1|2,0,1]=4 593 B16R2.5 CC(CCO)SC1CCc2c1cccc2 62a_100009893172_200000721974 [0,0,0,0,0,1|2,0,1]=4 594 B16R2.5 CCCC(C)NC1CCc2c1cccc2 2230a_100000741246_200000721974 [0,0,0,0,0,1|1,0,2]=4 595 B16R2.5 CCCC(C)NC1CCc2c1cccc2 269862a_100000741246_100000212051 [0,0,0,0,0,1|1,0,2]=4 596 B16R2.5 CCCC(C)N[C@H]1CCc2c1cccc2 2230a_100016989578_100000766640 [0,0,0,0,0,1|1,0,2]=4 597 B16R2.5 CCCC(C)N[C@H]1CCc2c1cccc2 270004a_100016989578_100000211909 [0,0,0,0,0,1|1,0,2]=4 598 B16R2.5 CCCC(C)N[C@H]1CCc2c1cccc2 34a_100016989578_100000766640 [0,0,0,0,0,1|1,0,2]=4 599 B16R2.5 CCCC(C)OC1CCc2c1cccc2 34a_100000212247_100000766640 [0,0,0,0,0,1|1,0,2]=4 600 B16R2.5 CCCC(C)OC1CCc2c1cccc2 7a_100000212247_100000766640 [0,0,0,0,0,1|1,0,2]=4 601 B16R2.5 CCCC(C)SC1CCc2c1cccc2 62a_100000766640_200000721974 [0,0,0,0,0,1|1,0,2]=4 602 B16R2.5 COCC(C)N[C@H]1CCc2c1cccc2 2230a_100016989578_100000765312 [0,0,0,0,0,1|2,0,1]=4 603 B16R2.5 COCC(C)N[C@H]1CCc2c1cccc2 270004a_100016989578_100000749346 [0,0,0,0,0,1|2,0,1]=4 604 B16R2.5 COCC(C)N[C@H]1CCc2c1cccc2 34a_100016989578_100000765312 [0,0,0,0,0,1|2,0,1]=4 605 B16R2.5 COCC(C)OC1CCc2c1cccc2 34a_100000212247_100000765312 [0,0,0,0,0,1|2,0,1]=4 606 B16R2.5 COCC(C)OC1CCc2c1cccc2 7a_100000212247_100000765312 [0,0,0,0,0,1|2,0,1]=4 607 B16R2.5 COCC(C)SC1CCc2c1cccc2 62a_100000765312_200000721974 [0,0,0,0,0,1|2,0,1]=4 608 B16R2.5 COC[C@@H](C)NC1CCc2c1cccc2 2230a_100000764878_200000721974 [0,0,0,0,0,1|2,0,1]=4 609 B16R2.5 COC[C@@H](C)NC1CCc2c1cccc2 269862a_100000764878_100000212051 [0,0,0,0,0,1|2,0,1]=4 610 B16R2.5 CSCC(C)N[C@H]1CCc2c1cccc2 270004a_100016989578_100011216314 [0,0,0,0,0,1|2,0,1]=4 611 B16R2.5 C[C@@H](CC#N)NC1CCc2c1cccc2 2230a_100016994482_200000721974 [0,0,0,0,0,1|2,0,0]=3 612 B16R2.5 C[C@H](CCO)NC1CCc2c1cccc2 2230a_100000706166_200000721974 [0,0,0,0,0,1|2,0,1]=4 613 B16R2.5 C[C@H](CCO)NC1CCc2c1cccc2 269862a_100000706166_100000212051 [0,0,0,0,0,1|2,0,1]=4 614 B16R2.5 N#CCC(=O)CC1CCc2c1cccc2 1458a_100000756587_100011214920 [0,0,0,0,0,1|3,0,0]=4 615 B16R2.5 N#CCC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100051588842 [0,0,0,0,0,1|3,0,0]=4 616 B16R2.5 N#CCC(=O)N[C@H]1CCc2c1cccc2 240690a_100016989578_100051588842 [0,0,0,0,0,1|3,0,0]=4 617 B16R2.767 C#CCC(=O)C1CCc2ccccc2C1 1458a_100011217706_100000184674 [0,0,0,0,0,1|2,0,0]=3 618 B16R2.767 C#CCC(=O)C1CCc2ccccc2O1 1458a_100000065239_100000184674 [0,0,0,0,0,1|2,0,0]=3 619 B16R2.767 C#CCC(=O)C1COc2ccccc2C1 1458a_100000203760_100000184674 [0,0,0,0,0,1|3,0,0]=4 620 B16R2.767 C#CCC(=O)C1COc2ccccc2O1 1458a_100000182656_100000184674 [0,0,0,0,0,1|3,0,0]=4 621 B16R2.767 C#CCC(=O)C1Cc2ccccc2CO1 1458a_100009880028_100000184674 [0,0,0,0,0,1|3,0,0]=4 622 B16R2.767 C#CCC(=O)N1CCc2ccccc2C1 1626a_100000188457_100011220946 [0,0,0,0,0,1|3,0,0]=4 623 B16R2.767 C#CCC(=O)N1CCc2ccccc2C1 527a_100000188457_100011220946 [0,0,0,0,0,1|3,0,0]=4 624 B16R2.767 C#CCN(C)C1CCc2ccccc2C1 270004a_100000225692_100000212018 [0,0,0,0,0,1|0,0,0]=1 625 B16R2.767 C#CCN(C)C1COc2ccccc2C1 270004a_100000225692_100000048293 [0,0,0,0,0,1|1,0,0]=2 626 B16R2.767 C#CCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000038162 [0,0,0,0,0,1|0,0,3]=4 627 B16R2.767 C#CCN(C)c1ccc2ccccc2c1 34a_100000181211_100000184674 [0,0,0,0,0,1|0,0,3]=4 628 B16R2.767 C#CCN(C)c1ccc2ccccc2n1 27a_100000225692_100011291633 [0,0,0,0,0,1|0,0,3]=4 629 B16R2.767 C#CCN(C)c1cnc2ccccc2n1 27a_100000225692_100000756483 [0,0,0,0,0,1|1,0,2]=4 630 B16R2.767 C#CCN(C)c1ncc2ccccc2n1 27a_100000225692_100000097389 [0,0,0,0,0,1|1,0,2]=4 631 B16R2.767 C=CCN(C)C1CCc2ccccc2C1 270004a_100000225617_100000212018 [0,0,0,0,0,1|0,0,2]=3 632 B16R2.767 C=CCN(C)C1COc2ccccc2C1 270004a_100000225617_100000048293 [0,0,0,0,0,1|1,0,2]=4 633 B16R2.767 CC(CC#N)N1CCc2ccccc2C1 2230a_100000188457_100009813641 [0,0,0,0,0,1|3,0,0]=4 634 B16R2.767 CC(CC#N)N1CCc2ccccc2C1 269982a_100000188457_100009813641 [0,0,0,0,0,1|3,0,0]=4 635 B16R2.767 CCCN(C)C1CCc2ccccc2C1 2230a_100000744008_200000210301 [0,0,0,0,0,1|0,0,2]=3 636 B16R2.767 CCCN(C)C1CCc2ccccc2C1 269982a_100000744008_200000210301 [0,0,0,0,0,1|0,0,2]=3 637 B16R2.767 CCCN(C)C1CCc2ccccc2C1 270004a_100000747261_100000212018 [0,0,0,0,0,1|0,0,2]=3 638 B16R2.767 CCCN(C)C1CCc2ccccc2C1 34a_100000744008_200000210301 [0,0,0,0,0,1|0,0,2]=3 639 B16R2.767 CCCN(C)C1COc2ccccc2C1 270004a_100000747261_100000048293 [0,0,0,0,0,1|1,0,2]=4 640 B16R2.767 CCCN([13CH3])C1CCc2ccccc2C1 2230a_100000744008_200025704644 [0,0,0,0,0,1|0,0,2]=3 641 B16R2.767 CCCN([13CH3])C1CCc2ccccc2C1 269982a_100000744008_200025704644 [0,0,0,0,0,1|0,0,2]=3 642 B16R2.767 CCCN([13CH3])C1CCc2ccccc2C1 34a_100000744008_200025704644 [0,0,0,0,0,1|0,0,2]=3 643 B16R2.767 CN(CCO)C1CCc2ccccc2C1 270004a_100000210263_100000212018 [0,0,0,0,0,1|1,0,1]=3 644 B16R2.767 CN(CCO)C1COc2ccccc2C1 270004a_100000210263_100000048293 [0,0,0,0,0,1|2,0,1]=4 645 B16R2.767 N#CCC(=O)C1CCc2ccccc2C1 1458a_100011217706_100011214920 [0,0,0,0,0,1|3,0,0]=4 646 B16R2.767 N#CCC(=O)C1CCc2ccccc2O1 1458a_100000065239_100011214920 [0,0,0,0,0,1|3,0,0]=4 647 B16R2.160202 C#CCC(=O)C1CCCc2c1cccc2 1458a_100011198263_100000184674 [0,0,0,0,0,1|2,0,0]=3 648 B16R2.160202 C#CCC(=O)C1OCCc2c1cccc2 1458a_100000026751_100000184674 [0,0,0,0,0,1|2,0,0]=3 649 B16R2.160202 C#CCN(C)C1CCCc2c1cccc2 2230a_100000185324_100000038162 [0,0,0,0,0,1|0,0,0]=1 650 B16R2.160202 C#CCN(C)C1CCCc2c1cccc2 34a_100000185324_100000184674 [0,0,0,0,0,1|0,0,0]=1 651 B16R2.160202 C#CCN(C)c1cccc2c1cccc2 2230a_100000220138_100000038162 [0,0,0,0,0,1|0,0,3]=4 652 B16R2.160202 C#CCN(C)c1cccc2c1cccc2 34a_100000220138_100000184674 [0,0,0,0,0,1|0,0,3]=4 653 B16R2.160202 C#CCN(C)c1ccnc2c1cccc2 27a_100000225692_100011215880 [0,0,0,0,0,1|0,0,3]=4 654 B16R2.160202 C#CCN(C)c1cnnc2c1cccc2 27a_100000225692_100000063506 [0,0,0,0,0,1|1,0,2]=4 655 B16R2.160202 C#CCN(C)c1nccc2c1cccc2 27a_100000225692_100011934041 [0,0,0,0,0,1|0,0,3]=4 656 B16R2.160202 C#CCN(C)c1ncnc2c1cccc2 27a_100000225692_100000217608 [0,0,0,0,0,1|1,0,2]=4 657 B16R2.160202 C=CCN(C)C1CCCc2c1cccc2 2230a_100000185324_100000210623 [0,0,0,0,0,1|0,0,2]=3 658 B16R2.160202 C=CCN(C)C1CCCc2c1cccc2 269982a_100000185324_100000210623 [0,0,0,0,0,1|0,0,2]=3 659 B16R2.160202 C=CCN(C)C1CCCc2c1cccc2 34a_100000185324_100015514636 [0,0,0,0,0,1|0,0,2]=3 660 B16R2.160202 CCCN(C)C1CCCc2c1cccc2 2230a_100000185324_100000210303 [0,0,0,0,0,1|0,0,2]=3 661 B16R2.160202 CCCN(C)C1CCCc2c1cccc2 269982a_100000185324_100000210303 [0,0,0,0,0,1|0,0,2]=3 662 B16R2.160202 CCCN(C)C1CCCc2c1cccc2 34a_100000185324_100000210303 [0,0,0,0,0,1|0,0,2]=3 663 B16R2.160202 CN(CC#N)C1CCCc2c1cccc2 2230a_100000185324_100011215382 [0,0,0,0,0,1|1,0,0]=2 664 B16R2.160202 CN(CC#N)C1CCCc2c1cccc2 269982a_100000185324_100011214920 [0,0,0,0,0,1|1,0,0]=2 665 B16R2.160202 CN(CC=O)C1CCCc2c1cccc2 2230a_100000185324_200015260668 [0,0,0,0,0,1|1,0,1]=3 666 B16R2.160202 CN(CC=O)C1CCCc2c1cccc2 269982a_100000185324_200015260668 [0,0,0,0,0,1|1,0,1]=3 667 B16R2.160202 CN(CC=O)C1CCCc2c1cccc2 34a_100000185324_200009817547 [0,0,0,0,0,1|1,0,1]=3 668 B16R2.160202 CN(CCF)C1CCCc2c1cccc2 2230a_100000185324_100011217306 [0,0,0,0,0,1|1,0,1]=3 669 B16R2.160202 CN(CCF)C1CCCc2c1cccc2 269982a_100000185324_100011217306 [0,0,0,0,0,1|1,0,1]=3 670 B16R2.160202 CN(CCF)C1CCCc2c1cccc2 34a_100000185324_100011217306 [0,0,0,0,0,1|1,0,1]=3 671 B16R2.160202 CN(CCO)C1CCCc2c1cccc2 2230a_100000185324_100000211926 [0,0,0,0,0,1|1,0,1]=3 672 B16R2.160202 CN(CCO)C1CCCc2c1cccc2 269982a_100000185324_100000211926 [0,0,0,0,0,1|1,0,1]=3 673 B16R2.160202 CN(CCO)C1CCCc2c1cccc2 34a_100000185324_100000211926 [0,0,0,0,0,1|1,0,1]=3 674 B16R2.160202 COCN(C)C1CCCc2c1cccc2 2230a_100000185324_100000766300 [0,0,0,0,0,1|1,0,1]=3 675 B16R2.160202 COCN(C)C1CCCc2c1cccc2 269982a_100000185324_100000766300 [0,0,0,0,0,1|1,0,1]=3 676 B16R2.160202 CSCN(C)C1CCCc2c1cccc2 2230a_100000185324_100011218213 [0,0,0,0,0,1|1,0,1]=3 677 B16R2.160202 CSCN(C)C1CCCc2c1cccc2 269982a_100000185324_100011218213 [0,0,0,0,0,1|1,0,1]=3 678 B16R2.160202 CSCN(C)C1CCCc2c1cccc2 34a_100000185324_100011218213 [0,0,0,0,0,1|1,0,1]=3 679 B16R2.160202 N#CCC(=O)C1CCCc2c1cccc2 1458a_100011198263_100011214920 [0,0,0,0,0,1|3,0,0]=4 680 B16R2.160202 N#CCC(=O)C1OCCc2c1cccc2 1458a_100000026751_100011214920 [0,0,0,0,0,1|3,0,0]=4 681 B13R1.28 C#CCCCCNc1ccccc1 34a_100000106764_100010269958 [1,0,1,0,0,0|2,0,0]=4 682 B13R1.28 C#CCCCCOc1ccccc1 34a_100000210340_100010269958 [1,0,1,0,0,0|2,0,0]=4 683 B13R1.28 C#CCCCCOc1ccccc1 7a_100000210340_100010269958 [1,0,1,0,0,0|2,0,0]=4 684 B13R1.28 C#CCCCCSc1ccccc1 62a_100000719477_100010269958 [1,0,1,0,0,0|2,0,0]=4 685 B13R1.28 C#CCCCCSc1ccccc1 62a_100010269958_100000041952 [1,0,1,0,0,0|2,0,0]=4 686 B13R1.28 C#CCCCNCc1ccccc1 207a_100000718082_100015611070 [1,0,1,0,0,0|2,0,0]=4 687 B13R1.28 C#CCCCNCc1ccccc1 2230a_100015324214_100000731252 [1,0,1,0,0,0|2,0,0]=4 688 B13R1.28 C#CCCCNCc1ccccc1 270004a_100000718082_100015611070 [1,0,1,0,0,0|2,0,0]=4 689 B13R1.28 C#CCCCNCc1ccccc1 34a_100000718082_100015291786 [1,0,1,0,0,0|2,0,0]=4 690 B13R1.28 C#CCCCNCc1ccccc1 34a_100015324214_100000695029 [1,0,1,0,0,0|2,0,0]=4 691 B13R1.28 C#CCCCOCc1ccccc1 34a_100000210790_100000695029 [1,0,1,0,0,0|2,0,0]=4 692 B13R1.28 C#CCCCOCc1ccccc1 34a_100000215630_100015291786 [1,0,1,0,0,0|2,0,0]=4 693 B13R1.28 C#CCCCOCc1ccccc1 7a_100000210790_100011215417 [1,0,1,0,0,0|2,0,0]=4 694 B13R1.28 C#CCCCOCc1ccccc1 7a_100000215630_100000211182 [1,0,1,0,0,0|2,0,0]=4 695 B13R1.28 C#CCCCSCc1ccccc1 62a_100000211182_100011215417 [1,0,1,0,0,0|2,0,0]=4 696 B13R1.28 C#CCCCSCc1ccccc1 62a_100011215417_100015291786 [1,0,1,0,0,0|2,0,0]=4 697 B13R1.28 C#CCCNCCc1ccccc1 2230a_100000106460_100000688953 [1,0,1,0,0,0|2,0,0]=4 698 B13R1.28 C#CCCNCCc1ccccc1 34a_100000106460_100000688953 [1,0,1,0,0,0|2,0,0]=4 699 B13R1.28 C#CCCNCCc1ccccc1 34a_100000755551_100000765856 [1,0,1,0,0,0|2,0,0]=4 700 B13R1.28 C#CCCOCCc1ccccc1 34a_100000210268_100000688953 [1,0,1,0,0,0|2,0,0]=4 701 B13R1.28 C#CCCOCCc1ccccc1 34a_100011215631_100000765856 [1,0,1,0,0,0|2,0,0]=4 702 B13R1.28 C#CCCOCCc1ccccc1 7a_100000210268_100000688953 [1,0,1,0,0,0|2,0,0]=4 703 B13R1.28 C#CCCSCCc1ccccc1 62a_100000688953_100011218657 [1,0,1,0,0,0|2,0,0]=4 704 B13R1.28 C#CCCSCCc1ccccc1 62a_100000765856_100000688953 [1,0,1,0,0,0|2,0,0]=4 705 B13R1.28 C#CCNC/C=C/c1ccccc1 2230a_100020603302_100000038162 [1,0,1,0,0,0|0,0,2]=4 706 B13R1.28 C#CCNC/C=C/c1ccccc1 34a_100000212058_100016265936 [1,0,1,0,0,0|0,0,2]=4 707 B13R1.28 C#CCNC/C=C/c1ccccc1 34a_100020603302_100000184674 [1,0,1,0,0,0|0,0,2]=4 708 B13R1.28 C#CCNCC#Cc1ccccc1 34a_100000212058_100011352542 [1,0,1,0,0,0|0,0,2]=4 709 B13R1.28 C#CCNCC#Cc1ccccc1 34a_100000735379_100000184674 [1,0,1,0,0,0|0,0,2]=4 710 B13R1.28 C#CCNCCCc1ccccc1 2230a_100000211184_100000038162 [1,0,1,0,0,0|0,0,0]=2 711 B13R1.28 C#CCNCCCc1ccccc1 34a_100000211184_100000184674 [1,0,1,0,0,0|0,0,0]=2 712 B13R1.28 C#CCNCCCc1ccccc1 34a_100000212058_100000211621 [1,0,1,0,0,0|0,0,0]=2 713 B13R1.28 C#CCNCCCc1cccnc1 2230a_100011532358_100000038162 [1,0,1,0,0,0|1,0,0]=3 714 B13R1.28 C#CCNCCCc1cccnc1 34a_100011532358_100000184674 [1,0,1,0,0,0|1,0,0]=3 715 B13R1.28 C#CCNCCCc1ccncc1 2230a_100011275580_100000038162 [1,0,1,0,0,0|1,0,0]=3 716 B13R1.28 C#CCNCCOc1ccccc1 2230a_100000174943_100000038162 [1,0,1,0,0,0|1,0,0]=3 717 B13R1.28 C#CCNCCOc1ccccc1 34a_100000174943_100000184674 [1,0,1,0,0,0|1,0,0]=3 718 B13R1.28 C#CCNCCOc1ccccc1 34a_100000212058_100000184471 [1,0,1,0,0,0|1,0,0]=3 719 B13R1.28 C#CCNCCOc1ccccn1 2230a_106741647558_100000038162 [1,0,1,0,0,0|2,0,0]=4 720 B13R1.28 C#CCNCCOc1cccnc1 2230a_100000754688_100000038162 [1,0,1,0,0,0|2,0,0]=4 721 B13R1.28 C#CCNCCSc1ccccc1 2230a_100000189519_100000038162 [1,0,1,0,0,0|1,0,0]=3 722 B13R1.28 C#CCNCCSc1ccccc1 34a_100000212058_100000246102 [1,0,1,0,0,0|1,0,0]=3 723 B13R1.28 C#CCNCOCc1ccccc1 34a_100000212058_100000763385 [1,0,1,0,0,0|1,0,0]=3 724 B13R1.28 C#CCNCSCc1ccccc1 34a_100000212058_200011217039 [1,0,1,0,0,0|1,0,0]=3 725 B13R1.28 C#CCOCCCc1ccccc1 34a_100000210247_100000211621 [1,0,1,0,0,0|1,0,0]=3 726 B13R1.28 C#CCOCCCc1ccccc1 34a_100000210828_100000184674 [1,0,1,0,0,0|1,0,0]=3 727 B13R1.28 C#CCOCCCc1ccccc1 7a_100000210828_100000038162 [1,0,1,0,0,0|1,0,0]=3 728 B13R1.28 C#CCOCCCc1ccccn1 34a_100011215068_100000184674 [1,0,1,0,0,0|2,0,0]=4 729 B13R1.28 C#CCOCCCc1cccnc1 34a_100000211284_100000184674 [1,0,1,0,0,0|2,0,0]=4 730 B13R1.28 C#CCOCCCc1ccncc1 34a_100000210659_100000184674 [1,0,1,0,0,0|2,0,0]=4 731 B13R1.28 C#CCOCCNc1ccccc1 34a_100000106764_100010402529 [1,0,1,0,0,0|2,0,0]=4 732 B13R1.28 C#CCOCCNc1ccccc1 34a_100000211345_100000184674 [1,0,1,0,0,0|2,0,0]=4 733 B13R1.28 C#CCOCCOc1ccccc1 34a_100000210247_100000184471 [1,0,1,0,0,0|2,0,0]=4 734 B13R1.28 C#CCOCCOc1ccccc1 34a_100000210260_100000184674 [1,0,1,0,0,0|2,0,0]=4 735 B13R1.28 C#CCOCCOc1ccccc1 34a_100000210340_100010402529 [1,0,1,0,0,0|2,0,0]=4 736 B13R1.28 C#CCOCCOc1ccccc1 7a_100000210260_100000038162 [1,0,1,0,0,0|2,0,0]=4 737 B13R1.28 C#CCOCCOc1ccccc1 7a_100000210340_100010402529 [1,0,1,0,0,0|2,0,0]=4 738 B13R1.28 C#CCOCCSc1ccccc1 34a_100000210247_100000246102 [1,0,1,0,0,0|2,0,0]=4 739 B13R1.28 C#CCOCCSc1ccccc1 62a_100000719477_100010402529 [1,0,1,0,0,0|2,0,0]=4 740 B13R1.28 C#CCOCCSc1ccccc1 62a_100010402529_100000041952 [1,0,1,0,0,0|2,0,0]=4 741 B13R1.28 C#CCOCCSc1ccccc1 7a_100000230494_100000038162 [1,0,1,0,0,0|2,0,0]=4 742 B13R1.28 C#CCOCOCc1ccccc1 34a_100000210247_100000763385 [1,0,1,0,0,0|2,0,0]=4 743 B13R1.28 C#CCOCSCc1ccccc1 34a_100000210247_200011217039 [1,0,1,0,0,0|2,0,0]=4 744 B13R1.28 C#CCSCCCc1ccccc1 62a_100000038162_100000211621 [1,0,1,0,0,0|1,0,0]=3 745 B13R1.28 C#CCSCCOc1ccccc1 62a_100000038162_100000184471 [1,0,1,0,0,0|2,0,0]=4 746 B13R1.28 C#CCSCCSc1ccccc1 62a_100000038162_100000246102 [1,0,1,0,0,0|2,0,0]=4 747 B13R1.28 C#CCSCOCc1ccccc1 62a_100000038162_100000763385 [1,0,1,0,0,0|2,0,0]=4 748 B13R1.28 C#CCSCSCc1ccccc1 62a_100000038162_200011217039 [1,0,1,0,0,0|2,0,0]=4 749 B13R1.28 C=CCNCCCc1ccccc1 2230a_100000211184_100000210623 [1,0,1,0,0,0|0,0,2]=4 750 B13R1.28 C=CCNCCCc1ccccc1 2230a_100020586998_100000211621 [1,0,1,0,0,0|0,0,2]=4 751 B13R1.28 C=CCNCCCc1ccccc1 34a_100000211184_100015514636 [1,0,1,0,0,0|0,0,2]=4 752 B13R1.28 CCCNCCCc1ccccc1 2230a_100000211184_100000210303 [1,0,1,0,0,0|0,0,2]=4 753 B13R1.28 CCCNCCCc1ccccc1 34a_100000211184_100000210303 [1,0,1,0,0,0|0,0,2]=4 754 B13R1.28 COCNCCCc1ccccc1 2230a_100000211184_100000766300 [1,0,1,0,0,0|1,0,1]=4 755 B13R1.28 CSCNCCCc1ccccc1 2230a_100000211184_100011218213 [1,0,1,0,0,0|1,0,1]=4 756 B13R1.28 CSCNCCCc1ccccc1 34a_100000211184_100011218213 [1,0,1,0,0,0|1,0,1]=4 757 B13R1.28 FCCNCCCc1ccccc1 2230a_100000211184_100011217306 [1,0,1,0,0,0|1,0,1]=4 758 B13R1.28 FCCNCCCc1ccccc1 34a_100000211184_100011217306 [1,0,1,0,0,0|1,0,1]=4 759 B13R1.28 FCCNCCCc1ccccc1 34a_100000724931_100000211621 [1,0,1,0,0,0|1,0,1]=4 760 B13R1.28 N#CCNCCCc1ccccc1 2230a_100000211184_100011215382 [1,0,1,0,0,0|1,0,0]=3 761 B13R1.28 N#CCNCCCc1cccnc1 2230a_100011532358_100011215382 [1,0,1,0,0,0|2,0,0]=4 762 B13R1.28 N#CCNCCCc1ccncc1 2230a_100011275580_100011215382 [1,0,1,0,0,0|2,0,0]=4 763 B13R1.28 N#CCNCCOc1ccccc1 2230a_100000174943_100011215382 [1,0,1,0,0,0|2,0,0]=4 764 B13R1.28 N#CCNCCSc1ccccc1 2230a_100000189519_100011215382 [1,0,1,0,0,0|2,0,0]=4 765 B13R1.28 N#CCOCCCc1ccccc1 7a_100000210828_100011215382 [1,0,1,0,0,0|2,0,0]=4 766 B13R1.28 N#CCSCCCc1ccccc1 62a_100000211621_100011215382 [1,0,1,0,0,0|2,0,0]=4 767 B13R1.28 N#CCSCCCc1ccccc1 62a_100011215382_100000211621 [1,0,1,0,0,0|2,0,0]=4 768 B13R1.28 O=CCNCCCc1ccccc1 2230a_100000211184_200015260668 [1,0,1,0,0,0|1,0,1]=4 769 B13R1.28 O=CCNCCCc1ccccc1 34a_100000211184_200009817547 [1,0,1,0,0,0|1,0,1]=4 770 B13R1.28 OCCNCCCc1ccccc1 2230a_100000211184_100000211926 [1,0,1,0,0,0|1,0,1]=4 771 B13R1.28 OCCNCCCc1ccccc1 2230a_100016997473_100000211621 [1,0,1,0,0,0|1,0,1]=4 772 B13R1.28 OCCNCCCc1ccccc1 34a_100000211184_100000211926 [1,0,1,0,0,0|1,0,1]=4 773 B13R1.28 OCCNCCCc1ccccc1 34a_100016990907_100000211621 [1,0,1,0,0,0|1,0,1]=4 774 B13R1.718 C#CC(=O)CCCc1ccccc1 1458a_100000211873_100000211621 [1,0,1,0,0,0|2,0,0]=4 775 B13R1.718 C#CC(C)NCCc1ccccc1 2230a_100000707721_100000765856 [1,0,1,0,0,0|2,0,0]=4 776 B13R1.718 C#CC(C)NCCc1ccccc1 34a_100000106460_200000035995 [1,0,1,0,0,0|2,0,0]=4 777 B13R1.718 C#CC(C)NCCc1ccccc1 34a_100000707721_100000765856 [1,0,1,0,0,0|2,0,0]=4 778 B13R1.718 C#CC(C)OCCc1ccccc1 34a_100000210268_200000035995 [1,0,1,0,0,0|2,0,0]=4 779 B13R1.718 C#CC(C)SCCc1ccccc1 62a_200000035995_100011218657 [1,0,1,0,0,0|2,0,0]=4 780 B13R1.718 C#C[C@@H](C)OCCc1ccccc1 34a_100009815206_100000765856 [1,0,1,0,0,0|2,0,0]=4 781 B13R1.718 C#C[C@@H](C)OCCc1ccccc1 7a_100009815206_100000765856 [1,0,1,0,0,0|2,0,0]=4 782 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000225621_100000211621 [1,0,1,0,0,0|0,0,1]=3 783 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000693637_100000210202 [1,0,1,0,0,0|0,0,1]=3 784 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000225621_100000211621 [1,0,1,0,0,0|0,0,1]=3 785 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000693637_100000204670 [1,0,1,0,0,0|0,0,1]=3 786 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100000184383_100000210202 [1,0,1,0,0,0|1,0,1]=4 787 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100000225621_100000184471 [1,0,1,0,0,0|1,0,1]=4 788 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100015187784_200000210301 [1,0,1,0,0,0|1,0,1]=4 789 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100000184383_100000204670 [1,0,1,0,0,0|1,0,1]=4 790 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100000225621_100000184471 [1,0,1,0,0,0|1,0,1]=4 791 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100015187784_200000210301 [1,0,1,0,0,0|1,0,1]=4 792 B13R1.718 CCN(C)CCSc1ccccc1 2230a_100000225621_100000246102 [1,0,1,0,0,0|1,0,1]=4 793 B13R1.718 CCN(C)CCSc1ccccc1 269982a_100000225621_100000246102 [1,0,1,0,0,0|1,0,1]=4 794 B13R1.718 CCN(C)COCc1ccccc1 2230a_100000225621_100000763385 [1,0,1,0,0,0|1,0,1]=4 795 B13R1.718 CCN(C)CSCc1ccccc1 2230a_100000225621_200011217039 [1,0,1,0,0,0|1,0,1]=4 796 B13R1.718 CCN(C)CSCc1ccccc1 269982a_100000225621_200011217039 [1,0,1,0,0,0|1,0,1]=4 797 B13R1.718 CCN([13CH3])CCOc1ccccc1 2230a_100015187784_200025704644 [1,0,1,0,0,0|1,0,1]=4 798 B13R1.718 CCN([13CH3])CCOc1ccccc1 269982a_100015187784_200025704644 [1,0,1,0,0,0|1,0,1]=4 799 B13R1.718 CN(CF)CCCc1ccccc1 269982a_100000693637_100015361967 [1,0,1,0,0,0|1,0,0]=3 800 B13R1.718 CN(CF)CCOc1ccccc1 269982a_100000184383_100015361967 [1,0,1,0,0,0|2,0,0]=4 801 B13R1.26 C#CCCN(CC)c1ccccc1 2230a_100000210013_100000688953 [1,0,1,0,0,0|2,0,0]=4 802 B13R1.26 C#CCCN(CC)c1ccccc1 269982a_100000210013_100000730999 [1,0,1,0,0,0|2,0,0]=4 803 B13R1.26 C#CCCN(CC)c1ccccc1 34a_100000210013_100000688953 [1,0,1,0,0,0|2,0,0]=4 804 B13R1.26 C#CCNC(CC)c1ccccc1 2230a_100000737752_100000038162 [1,0,1,0,0,0|0,0,0]=2 805 B13R1.26 C#CCNC(CC)c1ccccn1 2230a_100015186561_100000038162 [1,0,1,0,0,0|1,0,0]=3 806 B13R1.26 C#CCNC(CC)c1cccnc1 2230a_100000246009_100000038162 [1,0,1,0,0,0|1,0,0]=3 807 B13R1.26 C#CCNC(CC)c1cnccn1 2230a_200016994365_100000038162 [1,0,1,0,0,0|2,0,0]=4 808 B13R1.26 C#CCNC(CO)c1ccccn1 2230a_100015196888_100000038162 [1,0,1,0,0,0|2,0,0]=4 809 B13R1.26 C#CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000038162 [1,0,1,0,0,0|1,0,0]=3 810 B13R1.26 C#CCN[C@H](CO)c1ccccc1 34a_100000751927_100000184674 [1,0,1,0,0,0|1,0,0]=3 811 B13R1.26 C#CCN[C@H](CO)c1ccncc1 2230a_100138412524_100000038162 [1,0,1,0,0,0|2,0,0]=4 812 B13R1.26 C#CCOC(CBr)c1ccccc1 7a_100000185958_100000038162 [1,0,1,0,0,0|2,0,0]=4 813 B13R1.26 C#CCOC(CC)c1ccccc1 34a_100000698172_100000184674 [1,0,1,0,0,0|1,0,0]=3 814 B13R1.26 C#CCOC(CC)c1ccccc1 7a_100000698172_100000038162 [1,0,1,0,0,0|1,0,0]=3 815 B13R1.26 C#CCOC(CN)c1ccccc1 34a_100000210709_100000184674 [1,0,1,0,0,0|2,0,0]=4 816 B13R1.26 C#CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000184674 [1,0,1,0,0,0|2,0,0]=4 817 B13R1.26 C#CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000038162 [1,0,1,0,0,0|2,0,0]=4 818 B13R1.26 C=CCNC(CC)c1ccccc1 2230a_100000737752_100000210623 [1,0,1,0,0,0|0,0,2]=4 819 B13R1.26 CCC(NCC#N)c1ccccc1 2230a_100000737752_100011215382 [1,0,1,0,0,0|1,0,0]=3 820 B13R1.26 CCC(NCC#N)c1ccccn1 2230a_100015186561_100011215382 [1,0,1,0,0,0|2,0,0]=4 821 B13R1.26 CCC(NCC#N)c1cccnc1 2230a_100000246009_100011215382 [1,0,1,0,0,0|2,0,0]=4 822 B13R1.26 CCC(NCC=O)c1ccccc1 2230a_100000737752_200015260668 [1,0,1,0,0,0|1,0,1]=4 823 B13R1.26 CCC(NCCF)c1ccccc1 2230a_100000737752_100011217306 [1,0,1,0,0,0|1,0,1]=4 824 B13R1.26 CCC(NCCF)c1ccccc1 269862a_100000724931_100000210124 [1,0,1,0,0,0|1,0,1]=4 825 B13R1.26 CCC(NCCO)c1ccccc1 2230a_100000737752_100000211926 [1,0,1,0,0,0|1,0,1]=4 826 B13R1.26 CCC(NCCO)c1ccccc1 269862a_100000210304_100000210124 [1,0,1,0,0,0|1,0,1]=4 827 B13R1.26 CCC(NCOC)c1ccccc1 2230a_100000737752_100000766300 [1,0,1,0,0,0|1,0,1]=4 828 B13R1.26 CCC(NCSC)c1ccccc1 2230a_100000737752_100011218213 [1,0,1,0,0,0|1,0,1]=4 829 B13R1.26 CCC(OCC#N)c1ccccc1 7a_100000698172_100011215382 [1,0,1,0,0,0|2,0,0]=4 830 B13R1.26 CCCNC(CC)c1ccccc1 2230a_100000737752_100000210303 [1,0,1,0,0,0|0,0,2]=4 831 B13R1.26 CCCNC(CC)c1ccccc1 269862a_100020643023_100000210124 [1,0,1,0,0,0|0,0,2]=4 832 B13R1.26 N#CCN[C@H](CO)c1ccccc1 2230a_100000751927_100011215382 [1,0,1,0,0,0|2,0,0]=4 833 B13R1.47 C#CCC(=O)C(C)c1ccccc1 1458a_100011220946_100000230085 [1,0,1,0,0,0|2,0,0]=4 834 B13R1.47 C#CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000184674 [1,0,1,0,0,0|2,0,0]=4 835 B13R1.47 C#CCN(C)C(=O)c1ccccc1 11a_100000225692_100000185807 [1,0,1,0,0,0|1,0,1]=4 836 B13R1.47 C#CCN(C)C(=O)c1ccccc1 1626a_100000225692_100000185807 [1,0,1,0,0,0|1,0,1]=4 837 B13R1.47 C#CCN(C)C(=O)c1ccccc1 527a_100000225692_100000185807 [1,0,1,0,0,0|1,0,1]=4 838 B13R1.47 C#CCN(C)C(C)c1ccccc1 2230a_100000195388_100000038162 [1,0,1,0,0,0|0,0,0]=2 839 B13R1.47 C#CCN(C)C(C)c1ccccc1 2230a_100000225692_100000230085 [1,0,1,0,0,0|0,0,0]=2 840 B13R1.47 C#CCN(C)C(C)c1ccccc1 2230a_200000216251_200000210301 [1,0,1,0,0,0|0,0,0]=2 841 B13R1.47 C#CCN(C)C(C)c1ccccc1 269982a_200000216251_200000210301 [1,0,1,0,0,0|0,0,0]=2 842 B13R1.47 C#CCN(C)C(C)c1ccccc1 34a_100000225692_100000211855 [1,0,1,0,0,0|0,0,0]=2 843 B13R1.47 C#CCN(C)C(C)c1ccccc1 34a_200000216251_200000210301 [1,0,1,0,0,0|0,0,0]=2 844 B13R1.47 C#CCN(C)C(C)c1ccccn1 2230a_100000231138_100000038162 [1,0,1,0,0,0|1,0,0]=3 845 B13R1.47 C#CCN(C)C(C)c1cccnc1 2230a_100000232774_100000038162 [1,0,1,0,0,0|1,0,0]=3 846 B13R1.47 C#CCN(C)C(C)c1ccncc1 2230a_100000231139_100000038162 [1,0,1,0,0,0|1,0,0]=3 847 B13R1.47 C#CCN(C)C(C)c1cnccn1 2230a_100000225692_200000703233 [1,0,1,0,0,0|2,0,0]=4 848 B13R1.47 C#CCN(C)C(C)c1ncccn1 270004a_100000225692_100011350828 [1,0,1,0,0,0|2,0,0]=4 849 B13R1.47 C#CCN([13CH3])C(C)c1ccccc1 2230a_200000216251_200025704644 [1,0,1,0,0,0|0,0,0]=2 850 B13R1.47 C#CCN([13CH3])C(C)c1ccccc1 269982a_200000216251_200025704644 [1,0,1,0,0,0|0,0,0]=2 851 B13R1.47 C#CCN([13CH3])C(C)c1ccccc1 34a_200000216251_200025704644 [1,0,1,0,0,0|0,0,0]=2 852 B13R1.47 C=CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210623 [1,0,1,0,0,0|0,0,2]=4 853 B13R1.47 C=CCN(C)C(C)c1ccccc1 2230a_100000225617_100000230085 [1,0,1,0,0,0|0,0,2]=4 854 B13R1.47 C=CCN(C)C(C)c1ccccc1 269982a_100000195388_100000210623 [1,0,1,0,0,0|0,0,2]=4 855 B13R1.47 C=CCN(C)C(C)c1ccccc1 269982a_100000225617_100000230085 [1,0,1,0,0,0|0,0,2]=4 856 B13R1.47 CC(c1ccccc1)N(C)CC#N 2230a_100000195388_100011215382 [1,0,1,0,0,0|1,0,0]=3 857 B13R1.47 CC(c1ccccc1)N(C)CC#N 2230a_100000748184_100000230085 [1,0,1,0,0,0|1,0,0]=3 858 B13R1.47 CC(c1ccccc1)N(C)CC#N 269982a_100000195388_100011214920 [1,0,1,0,0,0|1,0,0]=3 859 B13R1.47 CC(c1ccccc1)N(C)CC=O 2230a_100000195388_200015260668 [1,0,1,0,0,0|1,0,1]=4 860 B13R1.47 CC(c1ccccc1)N(C)CC=O 269982a_100000195388_200015260668 [1,0,1,0,0,0|1,0,1]=4 861 B13R1.47 CC(c1ccccc1)N(C)CCF 2230a_100000195388_100011217306 [1,0,1,0,0,0|1,0,1]=4 862 B13R1.47 CC(c1ccccc1)N(C)CCF 269982a_100000195388_100011217306 [1,0,1,0,0,0|1,0,1]=4 863 B13R1.47 CC(c1ccccc1)N(C)CCO 2230a_100000195388_100000211926 [1,0,1,0,0,0|1,0,1]=4 864 B13R1.47 CC(c1ccccc1)N(C)CCO 2230a_100000210263_100000230085 [1,0,1,0,0,0|1,0,1]=4 865 B13R1.47 CC(c1ccccc1)N(C)CCO 269982a_100000195388_100000211926 [1,0,1,0,0,0|1,0,1]=4 866 B13R1.47 CC(c1ccccc1)N(C)CCO 269982a_100000210263_100000230085 [1,0,1,0,0,0|1,0,1]=4 867 B13R1.47 CC(c1ccccn1)N(C)CC#N 2230a_100000231138_100011215382 [1,0,1,0,0,0|2,0,0]=4 868 B13R1.47 CC(c1ccccn1)N(C)CC#N 269982a_100000231138_100011214920 [1,0,1,0,0,0|2,0,0]=4 869 B13R1.47 CC(c1cccnc1)N(C)CC#N 2230a_100000232774_100011215382 [1,0,1,0,0,0|2,0,0]=4 870 B13R1.47 CC(c1cccnc1)N(C)CC#N 269982a_100000232774_100011214920 [1,0,1,0,0,0|2,0,0]=4 871 B13R1.47 CC(c1ccncc1)N(C)CC#N 2230a_100000231139_100011215382 [1,0,1,0,0,0|2,0,0]=4 872 B13R1.47 CC(c1ccncc1)N(C)CC#N 269982a_100000231139_100011214920 [1,0,1,0,0,0|2,0,0]=4 873 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000195388_100000210303 [1,0,1,0,0,0|0,0,2]=4 874 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000747261_100000230085 [1,0,1,0,0,0|0,0,2]=4 875 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100020603006_200000210301 [1,0,1,0,0,0|0,0,2]=4 876 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000195388_100000210303 [1,0,1,0,0,0|0,0,2]=4 877 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000747261_100000230085 [1,0,1,0,0,0|0,0,2]=4 878 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100020603006_200000210301 [1,0,1,0,0,0|0,0,2]=4 879 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 2230a_100020603006_200025704644 [1,0,1,0,0,0|0,0,2]=4 880 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 269982a_100020603006_200025704644 [1,0,1,0,0,0|0,0,2]=4 881 B13R1.47 COCN(C)C(C)c1ccccc1 2230a_100000195388_100000766300 [1,0,1,0,0,0|1,0,1]=4 882 B13R1.47 COCN(C)C(C)c1ccccc1 269982a_100000195388_100000766300 [1,0,1,0,0,0|1,0,1]=4 883 B13R1.47 CSCN(C)C(C)c1ccccc1 2230a_100000195388_100011218213 [1,0,1,0,0,0|1,0,1]=4 884 B13R1.47 CSCN(C)C(C)c1ccccc1 269982a_100000195388_100011218213 [1,0,1,0,0,0|1,0,1]=4 885 B13R1.47 C[C@H](c1ccccc1)N(C)CCO 2230a_100000753783_200000210301 [1,0,1,0,0,0|1,0,1]=4 886 B13R1.47 C[C@H](c1ccccc1)N(C)CCO 269982a_100000753783_200000210301 [1,0,1,0,0,0|1,0,1]=4 887 B13R1.47 C[C@H](c1ccccc1)N([13CH3])CCO 2230a_100000753783_200025704644 [1,0,1,0,0,0|1,0,1]=4 888 B13R1.47 C[C@H](c1ccccc1)N([13CH3])CCO 269982a_100000753783_200025704644 [1,0,1,0,0,0|1,0,1]=4 889 B13R1.532 C#CC(C)N(CC)c1ccccc1 34a_100000210013_200000035995 [1,0,1,0,0,0|2,0,0]=4 890 B13R1.532 CCC(c1ccccc1)N(C)CC 2230a_100000737450_200000210301 [1,0,1,0,0,0|0,0,1]=3 891 B13R1.532 CCC(c1ccccc1)N(C)CC 2230a_100000737544_100000210202 [1,0,1,0,0,0|0,0,1]=3 892 B13R1.532 CCC(c1ccccc1)N(C)CC 269982a_100000737450_200000210301 [1,0,1,0,0,0|0,0,1]=3 893 B13R1.532 CCC(c1ccccc1)N(C)CC 269982a_100000737544_100000204670 [1,0,1,0,0,0|0,0,1]=3 894 B13R1.532 CCC(c1ccccc1)N(C)CF 269982a_100000737544_100015361967 [1,0,1,0,0,0|1,0,0]=3 895 B13R1.532 CCC(c1ccccc1)N([13CH3])CC 2230a_100000737450_200025704644 [1,0,1,0,0,0|0,0,1]=3 896 B13R1.532 CCC(c1ccccc1)N([13CH3])CC 269982a_100000737450_200025704644 [1,0,1,0,0,0|0,0,1]=3 897 B13R1.532 CCC(c1ccccn1)N(C)CC 2230a_100011351527_100000210202 [1,0,1,0,0,0|1,0,1]=4 898 B13R1.532 CCC(c1ccccn1)N(C)CC 269982a_100011351527_100000204670 [1,0,1,0,0,0|1,0,1]=4 899 B13R1.532 CCC(c1ccccn1)N(C)CF 269982a_100011351527_100015361967 [1,0,1,0,0,0|2,0,0]=4 900 B13R1.532 CCC(c1cccnc1)N(C)CC 2230a_200011351541_100000210202 [1,0,1,0,0,0|1,0,1]=4 901 B13R1.532 CCC(c1cccnc1)N(C)CC 269982a_200011351541_100000204670 [1,0,1,0,0,0|1,0,1]=4 902 B13R1.532 CCC(c1cccnc1)N(C)CF 269982a_200011351541_100015361967 [1,0,1,0,0,0|2,0,0]=4 903 B13R1.84 C#CCCNc1ccccc1CC 2230a_100000212081_100000688953 [1,0,1,0,0,0|2,0,0]=4 904 B13R1.84 C#CCCNc1ccccc1CC 34a_100000212081_100000688953 [1,0,1,0,0,0|2,0,0]=4 905 B13R1.84 C#CCCNc1ccccc1CC 7a_100000212081_100000688953 [1,0,1,0,0,0|2,0,0]=4 906 B13R1.84 C#CCCOc1ccccc1CC 34a_100000210936_100000688953 [1,0,1,0,0,0|2,0,0]=4 907 B13R1.84 C#CCCOc1ccccc1CC 7a_100000210936_100000688953 [1,0,1,0,0,0|2,0,0]=4 908 B13R1.84 C#CCCSc1ccccc1CC 62a_100000688953_100011215823 [1,0,1,0,0,0|2,0,0]=4 909 B13R1.84 C#CCCSc1ccccc1CC 62a_100011215823_100000688953 [1,0,1,0,0,0|2,0,0]=4 910 B13R1.84 C#CCNCc1ccccc1C#C 34a_100020634229_100000184674 [1,0,1,0,0,0|0,0,2]=4 911 B13R1.84 C#CCNCc1ccccc1C#N 34a_100000212058_100000181865 [1,0,1,0,0,0|1,0,1]=4 912 B13R1.84 C#CCNCc1ccccc1C#N 34a_100016989011_100000184674 [1,0,1,0,0,0|1,0,1]=4 913 B13R1.84 C#CCNCc1ccccc1C=O 34a_100000212058_200009853537 [1,0,1,0,0,0|1,0,1]=4 914 B13R1.84 C#CCNCc1ccccc1CO 34a_100000212058_100009816955 [1,0,1,0,0,0|1,0,0]=3 915 B13R1.84 C#CCNCc1ccccc1OC 34a_100000188900_100000184674 [1,0,1,0,0,0|1,0,0]=3 916 B13R1.84 C#CCNCc1ccccc1OC 34a_100000212058_100000210004 [1,0,1,0,0,0|1,0,0]=3 917 B13R1.84 C#CCNCc1ccccc1SC 34a_100000212058_100000699184 [1,0,1,0,0,0|1,0,0]=3 918 B13R1.84 C#CCNCc1ccccc1SC 34a_102495365025_100000184674 [1,0,1,0,0,0|1,0,0]=3 919 B13R1.84 C#CCNCc1cccnc1OC 34a_100000212058_100020631285 [1,0,1,0,0,0|2,0,0]=4 920 B13R1.84 C#CCOCc1ccccc1CBr 34a_100009816955_100000184674 [1,0,1,0,0,0|2,0,0]=4 921 B13R1.84 C#CCOCc1ccccc1CBr 7a_100009816955_100000038162 [1,0,1,0,0,0|2,0,0]=4 922 B13R1.84 C#CCOCc1ccccc1CC 34a_100011663872_100000184674 [1,0,1,0,0,0|1,0,0]=3 923 B13R1.84 C#CCOCc1ccccc1CC 7a_100011663872_100000038162 [1,0,1,0,0,0|1,0,0]=3 924 B13R1.84 C#CCOCc1ccccc1CN 34a_100000743596_100000184674 [1,0,1,0,0,0|2,0,0]=4 925 B13R1.84 C#CCOCc1ccccc1CO 34a_100000210247_100009816955 [1,0,1,0,0,0|2,0,0]=4 926 B13R1.84 C#CCOCc1ccccc1OC 34a_100000210247_100000210004 [1,0,1,0,0,0|2,0,0]=4 927 B13R1.84 C#CCOCc1ccccc1OC 34a_100000211301_100000184674 [1,0,1,0,0,0|2,0,0]=4 928 B13R1.84 C#CCOCc1ccccc1SC 34a_100000210247_100000699184 [1,0,1,0,0,0|2,0,0]=4 929 B13R1.84 C#CCOCc1ccccc1SC 34a_100000699167_100000184674 [1,0,1,0,0,0|2,0,0]=4 930 B13R1.84 C#CCSCc1ccccc1CO 62a_100000038162_100009816955 [1,0,1,0,0,0|2,0,0]=4 931 B13R1.84 C#CCSCc1ccccc1OC 62a_100000038162_100000210004 [1,0,1,0,0,0|2,0,0]=4 932 B13R1.84 C#CCSCc1ccccc1SC 62a_100000038162_100000699184 [1,0,1,0,0,0|2,0,0]=4 933 B13R1.84 C=CCNCc1ccccc1CC 270004a_100020586998_100011219594 [1,0,1,0,0,0|0,0,2]=4 934 B13R1.84 CCCNCc1ccccc1CC 207a_100020643023_100011219594 [1,0,1,0,0,0|0,0,2]=4 935 B13R1.84 CCCNCc1ccccc1CC 270004a_100020643023_100011219594 [1,0,1,0,0,0|0,0,2]=4 936 B13R1.84 CCc1ccccc1CNCCO 207a_100000210304_100011219594 [1,0,1,0,0,0|1,0,1]=4 937 B13R1.84 CCc1ccccc1CNCCO 270004a_100000210304_100011219594 [1,0,1,0,0,0|1,0,1]=4 938 B13R1.84 CCc1ccccc1COCC#N 7a_100011663872_100011215382 [1,0,1,0,0,0|2,0,0]=4 939 B13R1.91 C#CC(C)Nc1ccccc1CC 34a_100000212081_200000035995 [1,0,1,0,0,0|2,0,0]=4 940 B13R1.91 C#CC(C)Oc1ccccc1CC 34a_100000210936_200000035995 [1,0,1,0,0,0|2,0,0]=4 941 B13R1.91 C#CC(C)Sc1ccccc1CC 62a_200000035995_100011215823 [1,0,1,0,0,0|2,0,0]=4 942 B13R1.91 CCN(C)Cc1ccccc1CO 2230a_100000044721_100000210202 [1,0,1,0,0,0|1,0,1]=4 943 B13R1.91 CCN(C)Cc1ccccc1CO 2230a_100000225621_100009816955 [1,0,1,0,0,0|1,0,1]=4 944 B13R1.91 CCN(C)Cc1ccccc1CO 269982a_100000044721_100000204670 [1,0,1,0,0,0|1,0,1]=4 945 B13R1.91 CCN(C)Cc1ccccc1CO 269982a_100000225621_100009816955 [1,0,1,0,0,0|1,0,1]=4 946 B13R1.91 CCN(C)Cc1ccccc1OC 2230a_100000184376_100000210202 [1,0,1,0,0,0|1,0,1]=4 947 B13R1.91 CCN(C)Cc1ccccc1OC 2230a_100000225621_100000210004 [1,0,1,0,0,0|1,0,1]=4 948 B13R1.91 CCN(C)Cc1ccccc1OC 269982a_100000184376_100000204670 [1,0,1,0,0,0|1,0,1]=4 949 B13R1.91 CCN(C)Cc1ccccc1OC 269982a_100000225621_100000210004 [1,0,1,0,0,0|1,0,1]=4 950 B13R1.91 CCN(C)Cc1ccccc1SC 2230a_100000225621_100000699184 [1,0,1,0,0,0|1,0,1]=4 951 B13R1.91 CCN(C)Cc1ccccc1SC 269982a_100000225621_100000699184 [1,0,1,0,0,0|1,0,1]=4 952 B13R1.91 CN(CF)Cc1ccccc1CO 269982a_100000044721_100015361967 [1,0,1,0,0,0|2,0,0]=4 953 B13R1.91 COc1ccccc1CN(C)CF 269982a_100000184376_100015361967 [1,0,1,0,0,0|2,0,0]=4 954 B13R1.470 C#CCC(=O)Cc1ccccc1C 1458a_100000212180_100000184674 [1,0,1,0,0,0|2,0,0]=4 955 B13R1.470 C#CCC(=O)Cc1ccccc1C 1458a_100011220946_100000211839 [1,0,1,0,0,0|2,0,0]=4 956 B13R1.470 C#CCN(C)Cc1ccccc1Br 2230a_100000184654_100000038162 [1,0,1,0,0,0|1,0,0]=3 957 B13R1.470 C#CCN(C)Cc1ccccc1Br 2230a_100000225692_100000184730 [1,0,1,0,0,0|1,0,0]=3 958 B13R1.470 C#CCN(C)Cc1ccccc1Br 26a_100000225692_100000181306 [1,0,1,0,0,0|1,0,0]=3 959 B13R1.470 C#CCN(C)Cc1ccccc1Br 270004a_100000225692_100000211189 [1,0,1,0,0,0|1,0,0]=3 960 B13R1.470 C#CCN(C)Cc1ccccc1Br 34a_100000225692_100000184730 [1,0,1,0,0,0|1,0,0]=3 961 B13R1.470 C#CCN(C)Cc1ccccc1C 2230a_100000184421_100000038162 [1,0,1,0,0,0|0,0,0]=2 962 B13R1.470 C#CCN(C)Cc1ccccc1C 2230a_100000225692_100000211839 [1,0,1,0,0,0|0,0,0]=2 963 B13R1.470 C#CCN(C)Cc1ccccc1C 270004a_100000225692_100000211143 [1,0,1,0,0,0|0,0,0]=2 964 B13R1.470 C#CCN(C)Cc1ccccc1C 34a_100000225692_100000211839 [1,0,1,0,0,0|0,0,0]=2 965 B13R1.470 C#CCN(C)Cc1ccccc1Cl 2230a_100000184507_100000038162 [1,0,1,0,0,0|1,0,0]=3 966 B13R1.470 C#CCN(C)Cc1ccccc1Cl 2230a_100000225692_100000187162 [1,0,1,0,0,0|1,0,0]=3 967 B13R1.470 C#CCN(C)Cc1ccccc1Cl 2230a_100000746241_200000210301 [1,0,1,0,0,0|1,0,0]=3 968 B13R1.470 C#CCN(C)Cc1ccccc1Cl 269982a_100000746241_200000210301 [1,0,1,0,0,0|1,0,0]=3 969 B13R1.470 C#CCN(C)Cc1ccccc1Cl 26a_100000225692_100000210172 [1,0,1,0,0,0|1,0,0]=3 970 B13R1.470 C#CCN(C)Cc1ccccc1Cl 270004a_100000225692_100000210073 [1,0,1,0,0,0|1,0,0]=3 971 B13R1.470 C#CCN(C)Cc1ccccc1Cl 34a_100000225692_100000187162 [1,0,1,0,0,0|1,0,0]=3 972 B13R1.470 C#CCN(C)Cc1ccccc1Cl 34a_100000746241_200000210301 [1,0,1,0,0,0|1,0,0]=3 973 B13R1.470 C#CCN(C)Cc1ccccc1F 2230a_100000225692_100000211605 [1,0,1,0,0,0|1,0,0]=3 974 B13R1.470 C#CCN(C)Cc1ccccc1F 2230a_100000742528_100000038162 [1,0,1,0,0,0|1,0,0]=3 975 B13R1.470 C#CCN(C)Cc1ccccc1F 270004a_100000225692_100000210811 [1,0,1,0,0,0|1,0,0]=3 976 B13R1.470 C#CCN(C)Cc1ccccc1F 34a_100000225692_100000211605 [1,0,1,0,0,0|1,0,0]=3 977 B13R1.470 C#CCN(C)Cc1ccccc1F 34a_100000742528_100000184674 [1,0,1,0,0,0|1,0,0]=3 978 B13R1.470 C#CCN(C)Cc1ccccc1I 2230a_100000225692_100011215278 [1,0,1,0,0,0|1,0,0]=3 979 B13R1.470 C#CCN(C)Cc1ccccc1I 270004a_100000225692_100000010305 [1,0,1,0,0,0|1,0,0]=3 980 B13R1.470 C#CCN(C)Cc1ccccc1I 34a_100000225692_100011215278 [1,0,1,0,0,0|1,0,0]=3 981 B13R1.470 C#CCN(C)Cc1ccccc1O 2230a_100015189988_100000038162 [1,0,1,0,0,0|1,0,0]=3 982 B13R1.470 C#CCN(C)Cc1cccnc1Br 2230a_100000225692_100010140945 [1,0,1,0,0,0|2,0,0]=4 983 B13R1.470 C#CCN(C)Cc1cccnc1Br 34a_100000225692_100010140945 [1,0,1,0,0,0|2,0,0]=4 984 B13R1.470 C#CCN(C)Cc1cccnc1C 2230a_100000225692_100000732876 [1,0,1,0,0,0|1,0,0]=3 985 B13R1.470 C#CCN(C)Cc1cccnc1C 2230a_200011875998_100000038162 [1,0,1,0,0,0|1,0,0]=3 986 B13R1.470 C#CCN(C)Cc1cccnc1C 270004a_100000225692_100000751968 [1,0,1,0,0,0|1,0,0]=3 987 B13R1.470 C#CCN(C)Cc1cccnc1C 34a_100000225692_100000732876 [1,0,1,0,0,0|1,0,0]=3 988 B13R1.470 C#CCN(C)Cc1cccnc1Cl 2230a_100000225692_100000045678 [1,0,1,0,0,0|2,0,0]=4 989 B13R1.470 C#CCN(C)Cc1cccnc1Cl 2230a_103496529121_100000038162 [1,0,1,0,0,0|2,0,0]=4 990 B13R1.470 C#CCN(C)Cc1cccnc1Cl 34a_100000225692_100000045678 [1,0,1,0,0,0|2,0,0]=4 991 B13R1.470 C#CCN(C)Cc1cccnc1F 2230a_100000225692_100000099810 [1,0,1,0,0,0|2,0,0]=4 992 B13R1.470 C#CCN(C)Cc1cccnc1F 34a_100000225692_100000099810 [1,0,1,0,0,0|2,0,0]=4 993 B13R1.470 C#CCN(C)Cc1cccnc1O 270004a_100000225692_100011998315 [1,0,1,0,0,0|2,0,0]=4 994 B13R1.470 C#CCN(C)Cc1ccncc1Br 270004a_100000225692_100000755692 [1,0,1,0,0,0|2,0,0]=4 995 B13R1.470 C#CCN(C)Cc1ccncc1C 2230a_100000225692_100020672808 [1,0,1,0,0,0|1,0,0]=3 996 B13R1.470 C#CCN(C)Cc1ccncc1C 2230a_100015187836_100000038162 [1,0,1,0,0,0|1,0,0]=3 997 B13R1.470 C#CCN(C)Cc1ccncc1C 34a_100000225692_100020672809 [1,0,1,0,0,0|1,0,0]=3 998 B13R1.470 C#CCN(C)Cc1ccncc1Cl 2230a_100000225692_100000763264 [1,0,1,0,0,0|2,0,0]=4 999 B13R1.470 C#CCN(C)Cc1ccncc1Cl 270004a_100000225692_100011934409 [1,0,1,0,0,0|2,0,0]=4 1000 B13R1.470 C#CCN(C)Cc1cnccc1Br 270004a_100000225692_100009816821 [1,0,1,0,0,0|2,0,0]=4 1001 B13R1.470 C#CCN(C)Cc1cnccc1C 2230a_100000225692_100000690890 [1,0,1,0,0,0|1,0,0]=3 1002 B13R1.470 C#CCN(C)Cc1cnccc1C 270004a_100000225692_100000685662 [1,0,1,0,0,0|1,0,0]=3 1003 B13R1.470 C#CCN(C)Cc1cnccc1C 34a_100000225692_100000690890 [1,0,1,0,0,0|1,0,0]=3 1004 B13R1.470 C#CCN(C)Cc1cnccc1Cl 270004a_100000225692_100000050567 [1,0,1,0,0,0|2,0,0]=4 1005 B13R1.470 C#CCN(C)Cc1ncccc1Br 2230a_100000225692_100025702911 [1,0,1,0,0,0|2,0,0]=4 1006 B13R1.470 C#CCN(C)Cc1ncccc1Br 270004a_100000225692_100011934733 [1,0,1,0,0,0|2,0,0]=4 1007 B13R1.470 C#CCN(C)Cc1ncccc1Br 34a_100000225692_100025702911 [1,0,1,0,0,0|2,0,0]=4 1008 B13R1.470 C#CCN(C)Cc1ncccc1C 2230a_100000225692_100000696600 [1,0,1,0,0,0|1,0,0]=3 1009 B13R1.470 C#CCN(C)Cc1ncccc1C 270004a_100000225692_100000698913 [1,0,1,0,0,0|1,0,0]=3 1010 B13R1.470 C#CCN(C)Cc1ncccc1C 34a_100000225692_100000696600 [1,0,1,0,0,0|1,0,0]=3 1011 B13R1.470 C#CCN(C)Cc1ncccc1Cl 2230a_100000225692_100000099807 [1,0,1,0,0,0|2,0,0]=4 1012 B13R1.470 C#CCN(C)Cc1ncccc1Cl 270004a_100000225692_100012001307 [1,0,1,0,0,0|2,0,0]=4 1013 B13R1.470 C#CCN(C)Cc1ncccc1F 2230a_100000225692_100000104219 [1,0,1,0,0,0|2,0,0]=4 1014 B13R1.470 C#CCN(C)Cc1ncccc1F 270004a_100000225692_100011934734 [1,0,1,0,0,0|2,0,0]=4 1015 B13R1.470 C#CCN(C)Cc1ncccc1F 34a_100000225692_100000104219 [1,0,1,0,0,0|2,0,0]=4 1016 B13R1.470 C#CCN(C)Cc1ncccc1O 34a_100000225692_200020655725 [1,0,1,0,0,0|2,0,0]=4 1017 B13R1.470 C#CCN(C)Cc1nccnc1C 270004a_100000225692_100000050726 [1,0,1,0,0,0|2,0,0]=4 1018 B13R1.470 C#CCN([13CH3])Cc1ccccc1Cl 2230a_100000746241_200025704644 [1,0,1,0,0,0|1,0,0]=3 1019 B13R1.470 C#CCN([13CH3])Cc1ccccc1Cl 269982a_100000746241_200025704644 [1,0,1,0,0,0|1,0,0]=3 1020 B13R1.470 C#CCN([13CH3])Cc1ccccc1Cl 34a_100000746241_200025704644 [1,0,1,0,0,0|1,0,0]=3 1021 B13R1.470 C=CCN(C)Cc1ccccc1C 2230a_100000184421_100000210623 [1,0,1,0,0,0|0,0,2]=4 1022 B13R1.470 C=CCN(C)Cc1ccccc1C 2230a_100000225617_100000211839 [1,0,1,0,0,0|0,0,2]=4 1023 B13R1.470 C=CCN(C)Cc1ccccc1C 2230a_200015183989_200000210301 [1,0,1,0,0,0|0,0,2]=4 1024 B13R1.470 C=CCN(C)Cc1ccccc1C 269982a_100000184421_100000210623 [1,0,1,0,0,0|0,0,2]=4 1025 B13R1.470 C=CCN(C)Cc1ccccc1C 269982a_100000225617_100000211839 [1,0,1,0,0,0|0,0,2]=4 1026 B13R1.470 C=CCN(C)Cc1ccccc1C 269982a_200015183989_200000210301 [1,0,1,0,0,0|0,0,2]=4 1027 B13R1.470 C=CCN(C)Cc1ccccc1C 270004a_100000225617_100000211143 [1,0,1,0,0,0|0,0,2]=4 1028 B13R1.470 C=CCN(C)Cc1ccccc1C 34a_200015183989_200000210301 [1,0,1,0,0,0|0,0,2]=4 1029 B13R1.470 C=CCN([13CH3])Cc1ccccc1C 2230a_200015183989_200025704644 [1,0,1,0,0,0|0,0,2]=4 1030 B13R1.470 C=CCN([13CH3])Cc1ccccc1C 269982a_200015183989_200025704644 [1,0,1,0,0,0|0,0,2]=4 1031 B13R1.470 C=CCN([13CH3])Cc1ccccc1C 34a_200015183989_200025704644 [1,0,1,0,0,0|0,0,2]=4 1032 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100000184421_100000210303 [1,0,1,0,0,0|0,0,2]=4 1033 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100000747261_100000211839 [1,0,1,0,0,0|0,0,2]=4 1034 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100015185261_200000210301 [1,0,1,0,0,0|0,0,2]=4 1035 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100000184421_100000210303 [1,0,1,0,0,0|0,0,2]=4 1036 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100000747261_100000211839 [1,0,1,0,0,0|0,0,2]=4 1037 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100015185261_200000210301 [1,0,1,0,0,0|0,0,2]=4 1038 B13R1.470 CCCN(C)Cc1ccccc1C 270004a_100000747261_100000211143 [1,0,1,0,0,0|0,0,2]=4 1039 B13R1.470 CCCN([13CH3])Cc1ccccc1C 2230a_100015185261_200025704644 [1,0,1,0,0,0|0,0,2]=4 1040 B13R1.470 CCCN([13CH3])Cc1ccccc1C 269982a_100015185261_200025704644 [1,0,1,0,0,0|0,0,2]=4 1041 B13R1.470 CN(CC#N)Cc1ccccc1Br 2230a_100000184654_100011215382 [1,0,1,0,0,0|2,0,0]=4 1042 B13R1.470 CN(CC#N)Cc1ccccc1Br 2230a_100000748184_100000184730 [1,0,1,0,0,0|2,0,0]=4 1043 B13R1.470 CN(CC#N)Cc1ccccc1Br 269982a_100000184654_100011214920 [1,0,1,0,0,0|2,0,0]=4 1044 B13R1.470 CN(CC#N)Cc1ccccc1Br 26a_100000748184_100000181306 [1,0,1,0,0,0|2,0,0]=4 1045 B13R1.470 CN(CC#N)Cc1ccccc1Cl 2230a_100000184507_100011215382 [1,0,1,0,0,0|2,0,0]=4 1046 B13R1.470 CN(CC#N)Cc1ccccc1Cl 2230a_100000748184_100000187162 [1,0,1,0,0,0|2,0,0]=4 1047 B13R1.470 CN(CC#N)Cc1ccccc1Cl 269982a_100000184507_100011214920 [1,0,1,0,0,0|2,0,0]=4 1048 B13R1.470 CN(CC#N)Cc1ccccc1Cl 26a_100000748184_100000210172 [1,0,1,0,0,0|2,0,0]=4 1049 B13R1.470 CN(CC#N)Cc1ccccc1F 2230a_100000742528_100011215382 [1,0,1,0,0,0|2,0,0]=4 1050 B13R1.470 CN(CC#N)Cc1ccccc1F 2230a_100000748184_100000211605 [1,0,1,0,0,0|2,0,0]=4 1051 B13R1.470 CN(CC#N)Cc1ccccc1F 269982a_100000742528_100011214920 [1,0,1,0,0,0|2,0,0]=4 1052 B13R1.470 CN(CC#N)Cc1ccccc1I 2230a_100000748184_100011215278 [1,0,1,0,0,0|2,0,0]=4 1053 B13R1.470 CN(CC#N)Cc1ccccc1O 2230a_100015189988_100011215382 [1,0,1,0,0,0|2,0,0]=4 1054 B13R1.470 CN(CC#N)Cc1ccccc1O 269982a_100015189988_100011214920 [1,0,1,0,0,0|2,0,0]=4 1055 B13R1.470 COCN(C)Cc1ccccc1C 2230a_100000184421_100000766300 [1,0,1,0,0,0|1,0,1]=4 1056 B13R1.470 COCN(C)Cc1ccccc1C 269982a_100000184421_100000766300 [1,0,1,0,0,0|1,0,1]=4 1057 B13R1.470 CSCN(C)Cc1ccccc1C 2230a_100000184421_100011218213 [1,0,1,0,0,0|1,0,1]=4 1058 B13R1.470 CSCN(C)Cc1ccccc1C 269982a_100000184421_100011218213 [1,0,1,0,0,0|1,0,1]=4 1059 B13R1.470 Cc1ccccc1CN(C)CC#N 2230a_100000184421_100011215382 [1,0,1,0,0,0|1,0,0]=3 1060 B13R1.470 Cc1ccccc1CN(C)CC#N 2230a_100000748184_100000211839 [1,0,1,0,0,0|1,0,0]=3 1061 B13R1.470 Cc1ccccc1CN(C)CC#N 269982a_100000184421_100011214920 [1,0,1,0,0,0|1,0,0]=3 1062 B13R1.470 Cc1ccccc1CN(C)CC=O 2230a_100000184421_200015260668 [1,0,1,0,0,0|1,0,1]=4 1063 B13R1.470 Cc1ccccc1CN(C)CC=O 269982a_100000184421_200015260668 [1,0,1,0,0,0|1,0,1]=4 1064 B13R1.470 Cc1ccccc1CN(C)CCF 2230a_100000184421_100011217306 [1,0,1,0,0,0|1,0,1]=4 1065 B13R1.470 Cc1ccccc1CN(C)CCF 269982a_100000184421_100011217306 [1,0,1,0,0,0|1,0,1]=4 1066 B13R1.470 Cc1ccccc1CN(C)CCO 2230a_100000184421_100000211926 [1,0,1,0,0,0|1,0,1]=4 1067 B13R1.470 Cc1ccccc1CN(C)CCO 2230a_100000210263_100000211839 [1,0,1,0,0,0|1,0,1]=4 1068 B13R1.470 Cc1ccccc1CN(C)CCO 269982a_100000184421_100000211926 [1,0,1,0,0,0|1,0,1]=4 1069 B13R1.470 Cc1ccccc1CN(C)CCO 269982a_100000210263_100000211839 [1,0,1,0,0,0|1,0,1]=4 1070 B13R1.470 Cc1ccccc1CN(C)CCO 270004a_100000210263_100000211143 [1,0,1,0,0,0|1,0,1]=4 1071 B13R1.470 Cc1cccnc1CN(C)CC#N 2230a_100000748184_100000696600 [1,0,1,0,0,0|2,0,0]=4 1072 B13R1.470 Cc1ccncc1CN(C)CC#N 2230a_100000748184_100000690890 [1,0,1,0,0,0|2,0,0]=4 1073 B13R1.470 Cc1cnccc1CN(C)CC#N 2230a_100000748184_100020672808 [1,0,1,0,0,0|2,0,0]=4 1074 B13R1.470 Cc1cnccc1CN(C)CC#N 2230a_100015187836_100011215382 [1,0,1,0,0,0|2,0,0]=4 1075 B13R1.470 Cc1cnccc1CN(C)CC#N 269982a_100015187836_100011214920 [1,0,1,0,0,0|2,0,0]=4 1076 B13R1.470 Cc1ncccc1CN(C)CC#N 2230a_100000748184_100000732876 [1,0,1,0,0,0|2,0,0]=4 1077 B13R1.470 Cc1ncccc1CN(C)CC#N 2230a_200011875998_100011215382 [1,0,1,0,0,0|2,0,0]=4 1078 B13R1.470 Cc1ncccc1CN(C)CC#N 269982a_200011875998_100011214920 [1,0,1,0,0,0|2,0,0]=4 1079 B13R1.674 C#CCCN(C)c1ccccc1C 2230a_100000219699_100000688953 [1,0,1,0,0,0|2,0,0]=4 1080 B13R1.674 C#CCCN(C)c1ccccc1C 269982a_100000219699_100000730999 [1,0,1,0,0,0|2,0,0]=4 1081 B13R1.674 C#CCCN(C)c1ccccc1C 34a_100000219699_100000688953 [1,0,1,0,0,0|2,0,0]=4 1082 B13R1.674 C#CCNC(=O)c1ccccc1C 11a_100000212058_100000212026 [1,0,1,0,0,0|1,0,1]=4 1083 B13R1.674 C#CCNC(=O)c1ccccc1C 1626a_100000212058_100000212026 [1,0,1,0,0,0|1,0,1]=4 1084 B13R1.674 C#CCNC(=O)c1ccccc1C 240690a_100000212058_100000212026 [1,0,1,0,0,0|1,0,1]=4 1085 B13R1.674 C#CCNC(=O)c1ccccc1C 527a_100000212058_100000212026 [1,0,1,0,0,0|1,0,1]=4 1086 B13R1.674 C#CCNC(C)c1ccccc1Br 2230a_100000181357_100000038162 [1,0,1,0,0,0|1,0,0]=3 1087 B13R1.674 C#CCNC(C)c1ccccc1C 2230a_100000181355_100000038162 [1,0,1,0,0,0|0,0,0]=2 1088 B13R1.674 C#CCNC(C)c1ccccc1C 34a_100000181355_100000184674 [1,0,1,0,0,0|0,0,0]=2 1089 B13R1.674 C#CCNC(C)c1ccccc1Cl 2230a_100000174978_100000038162 [1,0,1,0,0,0|1,0,0]=3 1090 B13R1.674 C#CCNC(C)c1ccccc1Cl 34a_100000174978_100000184674 [1,0,1,0,0,0|1,0,0]=3 1091 B13R1.674 C#CCNC(C)c1ccccc1F 2230a_100000181408_100000038162 [1,0,1,0,0,0|1,0,0]=3 1092 B13R1.674 C#CCNC(C)c1ccccc1F 34a_100000181408_100000184674 [1,0,1,0,0,0|1,0,0]=3 1093 B13R1.674 C#CCNC(C)c1ccccc1F 34a_100000212058_200000741388 [1,0,1,0,0,0|1,0,0]=3 1094 B13R1.674 C#CCNC(C)c1cccnc1O 2230a_100159269580_100000038162 [1,0,1,0,0,0|2,0,0]=4 1095 B13R1.674 C#CCNC(C)c1ncccc1Br 2230a_100159271932_100000038162 [1,0,1,0,0,0|2,0,0]=4 1096 B13R1.674 C#CCNC(C)c1ncccc1C 2230a_100011536111_100000038162 [1,0,1,0,0,0|1,0,0]=3 1097 B13R1.674 C#CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000038162 [1,0,1,0,0,0|1,0,0]=3 1098 B13R1.674 C#CCOC(C)c1ccccc1Br 34a_100000702211_100000184674 [1,0,1,0,0,0|2,0,0]=4 1099 B13R1.674 C#CCOC(C)c1ccccc1Br 7a_100000702211_100000038162 [1,0,1,0,0,0|2,0,0]=4 1100 B13R1.674 C#CCOC(C)c1ccccc1C 34a_100000742021_100000184674 [1,0,1,0,0,0|1,0,0]=3 1101 B13R1.674 C#CCOC(C)c1ccccc1C 7a_100000742021_100000038162 [1,0,1,0,0,0|1,0,0]=3 1102 B13R1.674 C#CCOC(C)c1ccccc1Cl 34a_100000740796_100000184674 [1,0,1,0,0,0|2,0,0]=4 1103 B13R1.674 C#CCOC(C)c1ccccc1Cl 7a_100000740796_100000038162 [1,0,1,0,0,0|2,0,0]=4 1104 B13R1.674 C#CCOC(C)c1ccccc1F 34a_100000210247_200000741388 [1,0,1,0,0,0|2,0,0]=4 1105 B13R1.674 C#CCOC(C)c1ccccc1F 34a_100000697922_100000184674 [1,0,1,0,0,0|2,0,0]=4 1106 B13R1.674 C#CCOC(C)c1ccccc1F 7a_100000697922_100000038162 [1,0,1,0,0,0|2,0,0]=4 1107 B13R1.674 C#CCOC(C)c1ccccc1N 7a_100011405641_100000038162 [1,0,1,0,0,0|2,0,0]=4 1108 B13R1.674 C#CCSC(C)c1ccccc1Cl 62a_100000038162_100000181259 [1,0,1,0,0,0|2,0,0]=4 1109 B13R1.674 C#CCSC(C)c1ccccc1F 62a_100000038162_200000741388 [1,0,1,0,0,0|2,0,0]=4 1110 B13R1.674 C=CCNC(C)c1ccccc1C 2230a_100000181355_100000210623 [1,0,1,0,0,0|0,0,2]=4 1111 B13R1.674 C=CCNC(C)c1ccccc1C 34a_100000181355_100015514636 [1,0,1,0,0,0|0,0,2]=4 1112 B13R1.674 CC(NCC#N)c1ccccc1Br 2230a_100000181357_100011215382 [1,0,1,0,0,0|2,0,0]=4 1113 B13R1.674 CC(NCC#N)c1ccccc1Cl 2230a_100000174978_100011215382 [1,0,1,0,0,0|2,0,0]=4 1114 B13R1.674 CC(NCC#N)c1ccccc1F 2230a_100000181408_100011215382 [1,0,1,0,0,0|2,0,0]=4 1115 B13R1.674 CCCNC(C)c1ccccc1C 2230a_100000181355_100000210303 [1,0,1,0,0,0|0,0,2]=4 1116 B13R1.674 CCCNC(C)c1ccccc1C 269862a_100020643023_100000211656 [1,0,1,0,0,0|0,0,2]=4 1117 B13R1.674 CCCNC(C)c1ccccc1C 34a_100000181355_100000210303 [1,0,1,0,0,0|0,0,2]=4 1118 B13R1.674 COCNC(C)c1ccccc1C 2230a_100000181355_100000766300 [1,0,1,0,0,0|1,0,1]=4 1119 B13R1.674 CSCNC(C)c1ccccc1C 2230a_100000181355_100011218213 [1,0,1,0,0,0|1,0,1]=4 1120 B13R1.674 CSCNC(C)c1ccccc1C 34a_100000181355_100011218213 [1,0,1,0,0,0|1,0,1]=4 1121 B13R1.674 C[C@@H](NCC#N)c1ccccc1O 2230a_100025703389_100011215382 [1,0,1,0,0,0|2,0,0]=4 1122 B13R1.674 Cc1ccccc1C(C)NCC#N 2230a_100000181355_100011215382 [1,0,1,0,0,0|1,0,0]=3 1123 B13R1.674 Cc1ccccc1C(C)NCC=O 2230a_100000181355_200015260668 [1,0,1,0,0,0|1,0,1]=4 1124 B13R1.674 Cc1ccccc1C(C)NCC=O 34a_100000181355_200009817547 [1,0,1,0,0,0|1,0,1]=4 1125 B13R1.674 Cc1ccccc1C(C)NCCF 2230a_100000181355_100011217306 [1,0,1,0,0,0|1,0,1]=4 1126 B13R1.674 Cc1ccccc1C(C)NCCF 269862a_100000724931_100000211656 [1,0,1,0,0,0|1,0,1]=4 1127 B13R1.674 Cc1ccccc1C(C)NCCF 34a_100000181355_100011217306 [1,0,1,0,0,0|1,0,1]=4 1128 B13R1.674 Cc1ccccc1C(C)NCCO 2230a_100000181355_100000211926 [1,0,1,0,0,0|1,0,1]=4 1129 B13R1.674 Cc1ccccc1C(C)NCCO 269862a_100000210304_100000211656 [1,0,1,0,0,0|1,0,1]=4 1130 B13R1.674 Cc1ccccc1C(C)NCCO 34a_100000181355_100000211926 [1,0,1,0,0,0|1,0,1]=4 1131 B13R1.674 Cc1ccccc1C(C)OCC#N 7a_100000742021_100011215382 [1,0,1,0,0,0|2,0,0]=4 1132 B13R1.674 Cc1cccnc1C(C)NCC#N 2230a_100011536111_100011215382 [1,0,1,0,0,0|2,0,0]=4 1133 B13R1.696 C#CC(C)N(C)c1ccccc1C 34a_100000219699_200000035995 [1,0,1,0,0,0|2,0,0]=4 1134 B13R1.696 CC(c1ccccc1Br)N(C)CF 269982a_100000692418_100015361967 [1,0,1,0,0,0|2,0,0]=4 1135 B13R1.696 CC(c1ccccc1F)N(C)CF 269982a_100000231110_100015361967 [1,0,1,0,0,0|2,0,0]=4 1136 B13R1.696 CC(c1ccccc1F)N(C)CF 34a_100000231110_100015361967 [1,0,1,0,0,0|2,0,0]=4 1137 B13R1.696 CCN(C)C(C)c1ccccc1Br 2230a_100000692418_100000210202 [1,0,1,0,0,0|1,0,1]=4 1138 B13R1.696 CCN(C)C(C)c1ccccc1Br 269982a_100000692418_100000204670 [1,0,1,0,0,0|1,0,1]=4 1139 B13R1.696 CCN(C)C(C)c1ccccc1Cl 2230a_100000225621_100000181259 [1,0,1,0,0,0|1,0,1]=4 1140 B13R1.696 CCN(C)C(C)c1ccccc1Cl 269982a_100000225621_100000181259 [1,0,1,0,0,0|1,0,1]=4 1141 B13R1.696 CCN(C)C(C)c1ccccc1F 2230a_100000225621_200000741388 [1,0,1,0,0,0|1,0,1]=4 1142 B13R1.696 CCN(C)C(C)c1ccccc1F 2230a_100000231110_100000210202 [1,0,1,0,0,0|1,0,1]=4 1143 B13R1.696 CCN(C)C(C)c1ccccc1F 269982a_100000225621_200000741388 [1,0,1,0,0,0|1,0,1]=4 1144 B13R1.696 CCN(C)C(C)c1ccccc1F 269982a_100000231110_100000204670 [1,0,1,0,0,0|1,0,1]=4 1145 B13R1.696 CCN(C)C(C)c1ccccc1F 34a_100000231110_100000210202 [1,0,1,0,0,0|1,0,1]=4 1146 B13R2.1 CCNC1CCc2c1cccc2 2230a_100015525214_200000721974 [2,0,0,0,0,0|0,0,1]=3 1147 B13R2.1 CCNC1CCc2c1cccc2 269862a_100015525214_100000212051 [2,0,0,0,0,0|0,0,1]=3 1148 B13R2.1 CCNC1COc2c1cccc2 2230a_100000747519_100000210202 [2,0,0,0,0,0|1,0,1]=4 1149 B13R2.1 CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210202 [2,0,0,0,0,0|0,0,1]=3 1150 B13R2.1 CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210202 [2,0,0,0,0,0|0,0,1]=3 1151 B13R2.1 CCOC1CCc2c1cccc2 34a_100000212247_100000210202 [2,0,0,0,0,0|1,0,1]=4 1152 B13R2.1 CCOC1CCc2c1cccc2 7a_100000212247_100000210202 [2,0,0,0,0,0|1,0,1]=4 1153 B13R2.1 CCSC1CCc2c1cccc2 62a_100000210202_200000721974 [2,0,0,0,0,0|1,0,1]=4 1154 B13R2.1 CNCC1CCc2c1cccc2 2230a_100020632452_200000210301 [2,0,0,0,0,0|1,0,1]=4 1155 B13R2.1 CNCC1CCc2c1cccc2 34a_100020632452_200000210301 [2,0,0,0,0,0|1,0,1]=4 1156 B13R2.1 FCN[C@H]1CCc2c1cccc2 34a_100016989578_100015361967 [2,0,0,0,0,0|1,0,0]=3 1157 B13R2.1 FCOC1CCc2c1cccc2 34a_100000212247_100015361967 [2,0,0,0,0,0|2,0,0]=4 1158 B13R2.1 FCOC1CCc2c1cccc2 7a_100000212247_100015361967 [2,0,0,0,0,0|2,0,0]=4 1159 B13R2.1 FCSC1CCc2c1cccc2 62a_100015361967_200000721974 [2,0,0,0,0,0|2,0,0]=4 1160 B13R2.1 [13CH3]NCC1CCc2c1cccc2 2230a_100020632452_200025704644 [2,0,0,0,0,0|1,0,1]=4 1161 B13R2.1 [13CH3]NCC1CCc2c1cccc2 34a_100020632452_200025704644 [2,0,0,0,0,0|1,0,1]=4 1162 B13R2.72 CC(=O)C1CCc2c1cccc2 1458a_100000750891_200000210301 [2,0,0,0,0,0|2,0,0]=4 1163 B13R2.72 CN(C)C1CCc2c1cccc2 2230a_100102631434_200000721974 [2,0,0,0,0,0|0,0,0]=2 1164 B13R2.72 CN(C)C1CCc2c1cccc2 269982a_100102631434_200000721974 [2,0,0,0,0,0|0,0,0]=2 1165 B13R2.72 [13CH3]C(=O)C1CCc2c1cccc2 1458a_100000750891_200025704644 [2,0,0,0,0,0|2,0,0]=4 1166 B15R1.11 C#CCC(=O)CCCc1ccc(cc1)Br 1458a_100011220946_100011713682 [0,1,1,0,0,0|2,0,0]=4 1167 B15R1.11 C#CCC(=O)CCCc1ccc(cc1)Br 1458a_100011236545_100000184674 [0,1,1,0,0,0|2,0,0]=4 1168 B15R1.11 C#CCC(=O)CCCc1ccc(cc1)C 1458a_100000741418_100000184674 [0,1,1,0,0,0|2,0,0]=4 1169 B15R1.11 C#CCC(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_100000184674 [0,1,1,0,0,0|2,0,0]=4 1170 B15R1.11 C#CCC(=O)CCCc1ccc(cc1)Cl 1458a_100011220946_100000759440 [0,1,1,0,0,0|2,0,0]=4 1171 B15R1.11 C#CCC(=O)CCCc1ccc(cc1)F 1458a_100011219804_100000184674 [0,1,1,0,0,0|2,0,0]=4 1172 B15R1.11 C#CCC(=O)CCCc1ccc(cc1)F 1458a_100011220946_200011713563 [0,1,1,0,0,0|2,0,0]=4 1173 B15R1.11 C#CCC(=O)CCCc1ccc(cc1)I 1458a_100011236544_100000184674 [0,1,1,0,0,0|2,0,0]=4 1174 B15R1.11 C#CCC(=O)CCCc1ccc(cc1)O 1458a_100000116853_100000184674 [0,1,1,0,0,0|2,0,0]=4 1175 B15R1.11 C#CCC(C)OCCc1ccc(cc1)Br 34a_100000685586_100011740612 [0,1,1,0,0,0|2,0,0]=4 1176 B15R1.11 C#CCC(C)OCCc1ccc(cc1)Br 7a_100000685586_100011740612 [0,1,1,0,0,0|2,0,0]=4 1177 B15R1.11 C#CCC(C)OCCc1ccc(cc1)C 34a_100000685586_100011713686 [0,1,1,0,0,0|2,0,0]=4 1178 B15R1.11 C#CCC(C)OCCc1ccc(cc1)C 7a_100000685586_100011713686 [0,1,1,0,0,0|2,0,0]=4 1179 B15R1.11 C#CCC(C)OCCc1ccc(cc1)Cl 34a_100000685586_100011713675 [0,1,1,0,0,0|2,0,0]=4 1180 B15R1.11 C#CCC(C)OCCc1ccc(cc1)Cl 7a_100000685586_100011713675 [0,1,1,0,0,0|2,0,0]=4 1181 B15R1.11 C#CCC(C)OCCc1ccc(cc1)F 34a_100000685586_100011217392 [0,1,1,0,0,0|2,0,0]=4 1182 B15R1.11 C#CCC(C)OCCc1ccc(cc1)F 7a_100000685586_100011217392 [0,1,1,0,0,0|2,0,0]=4 1183 B15R1.11 C#CCC(C)OCCc1ccc(cc1)O 7a_100000685586_100009816426 [0,1,1,0,0,0|2,0,0]=4 1184 B15R1.11 C#CCN(C)CC#Cc1ccc(cc1)Br 2230a_100000225692_100010706785 [0,1,1,0,0,0|0,0,2]=4 1185 B15R1.11 C#CCN(C)CC#Cc1ccc(cc1)Br 34a_100000225692_100010706785 [0,1,1,0,0,0|0,0,2]=4 1186 B15R1.11 C#CCN(C)CC#Cc1ccc(cc1)F 2230a_100000225692_100010402171 [0,1,1,0,0,0|0,0,2]=4 1187 B15R1.11 C#CCN(C)CC#Cc1ccc(cc1)F 34a_100000225692_100010402171 [0,1,1,0,0,0|0,0,2]=4 1188 B15R1.11 C#CCN(C)CC=Cc1ccc(cc1)Br 270004a_100000225692_100016291818 [0,1,1,0,0,0|0,0,2]=4 1189 B15R1.11 C#CCN(C)CC=Cc1ccc(cc1)C 270004a_100000225692_100016257026 [0,1,1,0,0,0|0,0,2]=4 1190 B15R1.11 C#CCN(C)CC=Cc1ccc(cc1)Cl 270004a_100000225692_100102525842 [0,1,1,0,0,0|0,0,2]=4 1191 B15R1.11 C#CCN(C)CC=Cc1ccc(cc1)F 270004a_100000225692_100016272083 [0,1,1,0,0,0|0,0,2]=4 1192 B15R1.11 C#CCN(C)CCCc1ccc(cc1)Br 2230a_100000225692_100011713682 [0,1,1,0,0,0|0,0,0]=2 1193 B15R1.11 C#CCN(C)CCCc1ccc(cc1)Br 34a_100000225692_100011713682 [0,1,1,0,0,0|0,0,0]=2 1194 B15R1.11 C#CCN(C)CCCc1ccc(cc1)Cl 2230a_100000225692_100000759440 [0,1,1,0,0,0|0,0,0]=2 1195 B15R1.11 C#CCN(C)CCCc1ccc(cc1)Cl 34a_100000225692_100000759440 [0,1,1,0,0,0|0,0,0]=2 1196 B15R1.11 C#CCN(C)CCCc1ccc(cc1)F 2230a_100000225692_200011713563 [0,1,1,0,0,0|0,0,0]=2 1197 B15R1.11 C#CCN(C)CCCc1ccc(cc1)F 34a_100000225692_200011713563 [0,1,1,0,0,0|0,0,0]=2 1198 B15R1.11 C#CCN(C)CCOc1ccc(cc1)Br 2230a_100000225692_100000183278 [0,1,1,0,0,0|1,0,0]=3 1199 B15R1.11 C#CCN(C)CCOc1ccc(cc1)Br 34a_100000225692_100000183278 [0,1,1,0,0,0|1,0,0]=3 1200 B15R1.11 C#CCN(C)CCOc1ccc(cc1)C 2230a_100000225692_100000183172 [0,1,1,0,0,0|1,0,0]=3 1201 B15R1.11 C#CCN(C)CCOc1ccc(cc1)C 2230a_100015185911_100000038162 [0,1,1,0,0,0|1,0,0]=3 1202 B15R1.11 C#CCN(C)CCOc1ccc(cc1)C 34a_100000225692_100000183172 [0,1,1,0,0,0|1,0,0]=3 1203 B15R1.11 C#CCN(C)CCOc1ccc(cc1)C 34a_100015185911_100000184674 [0,1,1,0,0,0|1,0,0]=3 1204 B15R1.11 C#CCN(C)CCOc1ccc(cc1)Cl 2230a_100000225692_100000184122 [0,1,1,0,0,0|1,0,0]=3 1205 B15R1.11 C#CCN(C)CCOc1ccc(cc1)Cl 34a_100000225692_100000184122 [0,1,1,0,0,0|1,0,0]=3 1206 B15R1.11 C#CCN(C)CCOc1ccc(cc1)F 2230a_100000225692_100000184936 [0,1,1,0,0,0|1,0,0]=3 1207 B15R1.11 C#CCN(C)CCOc1ccc(cc1)F 34a_100000225692_100000184936 [0,1,1,0,0,0|1,0,0]=3 1208 B15R1.11 C#CCN(C)CCSc1ccc(cc1)C 2230a_100015185158_100000038162 [0,1,1,0,0,0|1,0,0]=3 1209 B15R1.11 C=CCN(C)CCCc1ccc(cc1)Br 2230a_100000225617_100011713682 [0,1,1,0,0,0|0,0,2]=4 1210 B15R1.11 C=CCN(C)CCCc1ccc(cc1)Br 269982a_100000225617_100011713682 [0,1,1,0,0,0|0,0,2]=4 1211 B15R1.11 C=CCN(C)CCCc1ccc(cc1)Cl 2230a_100000225617_100000759440 [0,1,1,0,0,0|0,0,2]=4 1212 B15R1.11 C=CCN(C)CCCc1ccc(cc1)Cl 269982a_100000225617_100000759440 [0,1,1,0,0,0|0,0,2]=4 1213 B15R1.11 C=CCN(C)CCCc1ccc(cc1)F 2230a_100000225617_200011713563 [0,1,1,0,0,0|0,0,2]=4 1214 B15R1.11 C=CCN(C)CCCc1ccc(cc1)F 269982a_100000225617_200011713563 [0,1,1,0,0,0|0,0,2]=4 1215 B15R1.11 CCCN(C)CCCc1ccc(cc1)Br 2230a_100000747261_100011713682 [0,1,1,0,0,0|0,0,2]=4 1216 B15R1.11 CCCN(C)CCCc1ccc(cc1)Br 269982a_100000747261_100011713682 [0,1,1,0,0,0|0,0,2]=4 1217 B15R1.11 CCCN(C)CCCc1ccc(cc1)Cl 2230a_100000747261_100000759440 [0,1,1,0,0,0|0,0,2]=4 1218 B15R1.11 CCCN(C)CCCc1ccc(cc1)Cl 269982a_100000747261_100000759440 [0,1,1,0,0,0|0,0,2]=4 1219 B15R1.11 CCCN(C)CCCc1ccc(cc1)F 2230a_100000747261_200011713563 [0,1,1,0,0,0|0,0,2]=4 1220 B15R1.11 CCCN(C)CCCc1ccc(cc1)F 269982a_100000747261_200011713563 [0,1,1,0,0,0|0,0,2]=4 1221 B15R1.11 CN(CC#N)CCCc1ccc(cc1)Br 2230a_100000748184_100011713682 [0,1,1,0,0,0|1,0,0]=3 1222 B15R1.11 CN(CC#N)CCCc1ccc(cc1)Cl 2230a_100000748184_100000759440 [0,1,1,0,0,0|1,0,0]=3 1223 B15R1.11 CN(CC#N)CCCc1ccc(cc1)F 2230a_100000748184_200011713563 [0,1,1,0,0,0|1,0,0]=3 1224 B15R1.11 CN(CC#N)CCOc1ccc(cc1)Br 2230a_100000748184_100000183278 [0,1,1,0,0,0|2,0,0]=4 1225 B15R1.11 CN(CC#N)CCOc1ccc(cc1)Cl 2230a_100000748184_100000184122 [0,1,1,0,0,0|2,0,0]=4 1226 B15R1.11 CN(CC#N)CCOc1ccc(cc1)F 2230a_100000748184_100000184936 [0,1,1,0,0,0|2,0,0]=4 1227 B15R1.11 CN(CCO)CCCc1ccc(cc1)Br 2230a_100000210263_100011713682 [0,1,1,0,0,0|1,0,1]=4 1228 B15R1.11 CN(CCO)CCCc1ccc(cc1)Br 269982a_100000210263_100011713682 [0,1,1,0,0,0|1,0,1]=4 1229 B15R1.11 CN(CCO)CCCc1ccc(cc1)Cl 2230a_100000210263_100000759440 [0,1,1,0,0,0|1,0,1]=4 1230 B15R1.11 CN(CCO)CCCc1ccc(cc1)Cl 269982a_100000210263_100000759440 [0,1,1,0,0,0|1,0,1]=4 1231 B15R1.11 CN(CCO)CCCc1ccc(cc1)F 2230a_100000210263_200011713563 [0,1,1,0,0,0|1,0,1]=4 1232 B15R1.11 CN(CCO)CCCc1ccc(cc1)F 269982a_100000210263_200011713563 [0,1,1,0,0,0|1,0,1]=4 1233 B15R1.11 Cc1ccc(cc1)OCCN(C)CC#N 2230a_100000748184_100000183172 [0,1,1,0,0,0|2,0,0]=4 1234 B15R1.11 Cc1ccc(cc1)OCCN(C)CC#N 2230a_100015185911_100011215382 [0,1,1,0,0,0|2,0,0]=4 1235 B15R1.11 Cc1ccc(cc1)OCCN(C)CC#N 269982a_100015185911_100011214920 [0,1,1,0,0,0|2,0,0]=4 1236 B15R1.11 Cc1ccc(cc1)SCCN(C)CC#N 2230a_100015185158_100011215382 [0,1,1,0,0,0|2,0,0]=4 1237 B15R1.11 Cc1ccc(cc1)SCCN(C)CC#N 269982a_100015185158_100011214920 [0,1,1,0,0,0|2,0,0]=4 1238 B15R1.89 C#CCC(=O)CC[C@@H](O)c1ccccc1 1458a_100011220946_100000729684 [0,1,1,0,0,0|2,0,0]=4 1239 B15R1.89 C#CCC(C)OCC(C)c1ccccc1 34a_100000685586_100000756946 [0,1,1,0,0,0|2,0,0]=4 1240 B15R1.89 C#CCC(C)OCC(C)c1ccccc1 7a_100000685586_100000756946 [0,1,1,0,0,0|2,0,0]=4 1241 B15R1.89 C#CCC(C)OCC(O)c1ccccc1 34a_100000685586_100000185958 [0,1,1,0,0,0|2,0,0]=4 1242 B15R1.89 C#CCC(C)OCC(O)c1ccccc1 7a_100000685586_100000185958 [0,1,1,0,0,0|2,0,0]=4 1243 B15R1.89 C#CCC(C)OC[C@@H](O)c1ccccc1 34a_100000685586_100011933945 [0,1,1,0,0,0|2,0,0]=4 1244 B15R1.89 C#CCC(C)OC[C@@H](O)c1ccccc1 7a_100000685586_100011933945 [0,1,1,0,0,0|2,0,0]=4 1245 B15R1.89 C#CCN(C)CCC(=O)c1ccccc1 2230a_100000225692_100000750707 [0,1,1,0,0,0|0,0,1]=3 1246 B15R1.89 C#CCN(C)CCC(C)c1ccccc1 270004a_100000225692_100000189432 [0,1,1,0,0,0|0,0,0]=2 1247 B15R1.89 C#CCN(C)CCC(O)c1ccccc1 2230a_100011218556_100000038162 [0,1,1,0,0,0|0,0,0]=2 1248 B15R1.89 C#CCN(C)CCN(C)c1ccccc1 2230a_106657271745_100000038162 [0,1,1,0,0,0|1,0,0]=3 1249 B15R1.89 C#CCN(C)CCS(=O)c1ccccc1 2230a_100000225692_100000740319 [0,1,1,0,0,0|1,0,0]=3 1250 B15R1.89 C#CCN(C)CC[C@@H](O)c1ccccc1 2230a_100000225692_100000729684 [0,1,1,0,0,0|0,0,0]=2 1251 B15R1.89 C#CCN(C)CC[C@@H](O)c1ccccc1 34a_100000225692_100000729684 [0,1,1,0,0,0|0,0,0]=2 1252 B15R1.89 C=CCN(C)CCC(C)c1ccccc1 270004a_100000225617_100000189432 [0,1,1,0,0,0|0,0,2]=4 1253 B15R1.89 C=CCN(C)CCC(O)c1ccccc1 2230a_100011218556_100000210623 [0,1,1,0,0,0|0,0,2]=4 1254 B15R1.89 C=CCN(C)CCC(O)c1ccccc1 269982a_100011218556_100000210623 [0,1,1,0,0,0|0,0,2]=4 1255 B15R1.89 C=CCN(C)CC[C@@H](O)c1ccccc1 2230a_100000225617_100000729684 [0,1,1,0,0,0|0,0,2]=4 1256 B15R1.89 C=CCN(C)CC[C@@H](O)c1ccccc1 269982a_100000225617_100000729684 [0,1,1,0,0,0|0,0,2]=4 1257 B15R1.89 CC(CCN(C)CCO)c1ccccc1 270004a_100000210263_100000189432 [0,1,1,0,0,0|1,0,1]=4 1258 B15R1.89 CCCN(C)CCC(C)c1ccccc1 270004a_100000747261_100000189432 [0,1,1,0,0,0|0,0,2]=4 1259 B15R1.89 CCCN(C)CCC(O)c1ccccc1 2230a_100011218556_100000210303 [0,1,1,0,0,0|0,0,2]=4 1260 B15R1.89 CCCN(C)CCC(O)c1ccccc1 269982a_100011218556_100000210303 [0,1,1,0,0,0|0,0,2]=4 1261 B15R1.89 CCCN(C)CC[C@@H](O)c1ccccc1 2230a_100000747261_100000729684 [0,1,1,0,0,0|0,0,2]=4 1262 B15R1.89 CCCN(C)CC[C@@H](O)c1ccccc1 269982a_100000747261_100000729684 [0,1,1,0,0,0|0,0,2]=4 1263 B15R1.89 CN(CC#N)CCC(=O)c1ccccc1 2230a_100000748184_100000750707 [0,1,1,0,0,0|1,0,1]=4 1264 B15R1.89 CN(CC#N)CCC(O)c1ccccc1 2230a_100011218556_100011215382 [0,1,1,0,0,0|1,0,0]=3 1265 B15R1.89 CN(CC#N)CCC(O)c1ccccc1 269982a_100011218556_100011214920 [0,1,1,0,0,0|1,0,0]=3 1266 B15R1.89 CN(CC#N)CCN(C)c1ccccc1 2230a_106657271745_100011215382 [0,1,1,0,0,0|2,0,0]=4 1267 B15R1.89 CN(CC#N)CCN(C)c1ccccc1 269982a_106657271745_100011214920 [0,1,1,0,0,0|2,0,0]=4 1268 B15R1.89 CN(CC#N)CCS(=O)c1ccccc1 2230a_100000748184_100000740319 [0,1,1,0,0,0|2,0,0]=4 1269 B15R1.89 CN(CC#N)CC[C@@H](O)c1ccccc1 2230a_100000748184_100000729684 [0,1,1,0,0,0|1,0,0]=3 1270 B15R1.89 CN(CC=O)CCC(O)c1ccccc1 2230a_100011218556_200015260668 [0,1,1,0,0,0|1,0,1]=4 1271 B15R1.89 CN(CC=O)CCC(O)c1ccccc1 269982a_100011218556_200015260668 [0,1,1,0,0,0|1,0,1]=4 1272 B15R1.89 CN(CCF)CCC(O)c1ccccc1 2230a_100011218556_100011217306 [0,1,1,0,0,0|1,0,1]=4 1273 B15R1.89 CN(CCF)CCC(O)c1ccccc1 269982a_100011218556_100011217306 [0,1,1,0,0,0|1,0,1]=4 1274 B15R1.89 CN(CCO)CCC(O)c1ccccc1 2230a_100011218556_100000211926 [0,1,1,0,0,0|1,0,1]=4 1275 B15R1.89 CN(CCO)CCC(O)c1ccccc1 269982a_100011218556_100000211926 [0,1,1,0,0,0|1,0,1]=4 1276 B15R1.89 CN(CCO)CC[C@@H](O)c1ccccc1 2230a_100000210263_100000729684 [0,1,1,0,0,0|1,0,1]=4 1277 B15R1.89 CN(CCO)CC[C@@H](O)c1ccccc1 269982a_100000210263_100000729684 [0,1,1,0,0,0|1,0,1]=4 1278 B15R1.89 COCN(C)CCC(O)c1ccccc1 2230a_100011218556_100000766300 [0,1,1,0,0,0|1,0,1]=4 1279 B15R1.89 COCN(C)CCC(O)c1ccccc1 269982a_100011218556_100000766300 [0,1,1,0,0,0|1,0,1]=4 1280 B15R1.89 CSCN(C)CCC(O)c1ccccc1 2230a_100011218556_100011218213 [0,1,1,0,0,0|1,0,1]=4 1281 B15R1.89 CSCN(C)CCC(O)c1ccccc1 269982a_100011218556_100011218213 [0,1,1,0,0,0|1,0,1]=4 1282 B15R1.157 C#CCCC(=O)CCCc1ccccc1 1458a_100000692101_100000211621 [0,1,1,0,0,0|2,0,0]=4 1283 B15R1.157 C#CCCC(=O)CCCc1ccccc1 1458a_100011207963_100000753159 [0,1,1,0,0,0|2,0,0]=4 1284 B15R1.157 C#CCCN(C)CCCc1ccccc1 2230a_100000693637_100000688953 [0,1,1,0,0,0|0,0,0]=2 1285 B15R1.157 C#CCCN(C)CCCc1ccccc1 269982a_100000693637_100000730999 [0,1,1,0,0,0|0,0,0]=2 1286 B15R1.157 C#CCCN(C)CCOc1ccccc1 2230a_100000184383_100000688953 [0,1,1,0,0,0|1,0,0]=3 1287 B15R1.157 C#CCCN(C)CCOc1ccccc1 269982a_100000184383_100000730999 [0,1,1,0,0,0|1,0,0]=3 1288 B15R1.157 C#CCNC(=O)CCCc1ccccc1 11a_100000212058_100011207963 [0,1,1,0,0,0|2,0,0]=4 1289 B15R1.157 C#CCNC(=O)CCCc1ccccc1 1626a_100000212058_100011207963 [0,1,1,0,0,0|2,0,0]=4 1290 B15R1.157 C#CCNC(=O)CCCc1ccccc1 240690a_100000212058_100011207963 [0,1,1,0,0,0|2,0,0]=4 1291 B15R1.157 C#CCNC(=O)CCCc1ccccc1 527a_100000212058_100011207963 [0,1,1,0,0,0|2,0,0]=4 1292 B15R1.157 C#CCNC(C)CCCc1ccccc1 34a_100000212058_200010759516 [0,1,1,0,0,0|1,0,0]=3 1293 B15R1.157 C#CCOC(C)CCCc1ccccc1 34a_100000210247_200010759516 [0,1,1,0,0,0|1,0,0]=3 1294 B15R1.157 C#CCOC(C)COCc1ccccc1 34a_100000764311_100000184674 [0,1,1,0,0,0|2,0,0]=4 1295 B15R1.157 C#CCOC(C)COCc1ccccc1 34a_200000093152_100015291786 [0,1,1,0,0,0|2,0,0]=4 1296 B15R1.157 C#CCOC(C)COCc1ccccc1 7a_100000764311_100000038162 [0,1,1,0,0,0|2,0,0]=4 1297 B15R1.157 C#CCOC(C)COCc1ccccc1 7a_200000093152_100000211182 [0,1,1,0,0,0|2,0,0]=4 1298 B15R1.157 C#CCSC(C)CCCc1ccccc1 62a_100000038162_200010759516 [0,1,1,0,0,0|1,0,0]=3 1299 B15R1.157 C/C=C/CN(C)CCCc1ccccc1 269982a_100000693637_100102629194 [0,1,1,0,0,0|0,0,2]=4 1300 B15R1.157 C=CCCN(C)CCCc1ccccc1 2230a_100000693637_100000754431 [0,1,1,0,0,0|0,0,2]=4 1301 B15R1.157 C=CCCN(C)CCCc1ccccc1 2230a_100020639649_100000211621 [0,1,1,0,0,0|0,0,2]=4 1302 B15R1.157 C=CCCN(C)CCCc1ccccc1 269982a_100000693637_100000754431 [0,1,1,0,0,0|0,0,2]=4 1303 B15R1.157 C=CCCN(C)CCCc1ccccc1 269982a_100020639649_100000211621 [0,1,1,0,0,0|0,0,2]=4 1304 B15R1.157 CC#CCC(=O)CCCc1ccccc1 1458a_100011207963_100000748600 [0,1,1,0,0,0|2,0,0]=4 1305 B15R1.157 CC#CCN(C)CCCc1ccccc1 2230a_100000693637_100000748600 [0,1,1,0,0,0|0,0,0]=2 1306 B15R1.157 CC#CCN(C)CCOc1ccccc1 2230a_100000184383_100000748600 [0,1,1,0,0,0|1,0,0]=3 1307 B15R1.157 CC(CCCc1ccccc1)SCC#N 62a_100011215382_200010759516 [0,1,1,0,0,0|2,0,0]=4 1308 B15R1.157 CC(CCCc1ccccc1)SCC#N 62a_200010759516_100011215382 [0,1,1,0,0,0|2,0,0]=4 1309 B15R1.157 CC=CCN(C)CCCc1ccccc1 2230a_100000693637_100000070051 [0,1,1,0,0,0|0,0,2]=4 1310 B15R1.157 CCCCN(C)CCCc1ccccc1 2230a_100000207549_100000211621 [0,1,1,0,0,0|0,0,2]=4 1311 B15R1.157 CCCCN(C)CCCc1ccccc1 2230a_100000693637_100000210211 [0,1,1,0,0,0|0,0,2]=4 1312 B15R1.157 CCCCN(C)CCCc1ccccc1 2230a_200000200706_200000210301 [0,1,1,0,0,0|0,0,2]=4 1313 B15R1.157 CCCCN(C)CCCc1ccccc1 269982a_100000207549_100000211621 [0,1,1,0,0,0|0,0,2]=4 1314 B15R1.157 CCCCN(C)CCCc1ccccc1 269982a_100000693637_100000210211 [0,1,1,0,0,0|0,0,2]=4 1315 B15R1.157 CCCCN(C)CCCc1ccccc1 269982a_200000200706_200000210301 [0,1,1,0,0,0|0,0,2]=4 1316 B15R1.157 CCCCN(C)CCCc1ccccc1 34a_200000200706_200000210301 [0,1,1,0,0,0|0,0,2]=4 1317 B15R1.157 CCCCN([13CH3])CCCc1ccccc1 2230a_200000200706_200025704644 [0,1,1,0,0,0|0,0,2]=4 1318 B15R1.157 CCCCN([13CH3])CCCc1ccccc1 269982a_200000200706_200025704644 [0,1,1,0,0,0|0,0,2]=4 1319 B15R1.157 CCCCN([13CH3])CCCc1ccccc1 34a_200000200706_200025704644 [0,1,1,0,0,0|0,0,2]=4 1320 B15R1.157 CCOCN(C)CCCc1ccccc1 269982a_100000693637_100000739092 [0,1,1,0,0,0|0,0,2]=4 1321 B15R1.157 CN(CCC#N)CCCc1ccccc1 2230a_100000184479_100000211621 [0,1,1,0,0,0|0,0,1]=3 1322 B15R1.157 CN(CCC#N)CCCc1ccccc1 2230a_100000693637_100011215226 [0,1,1,0,0,0|0,0,1]=3 1323 B15R1.157 CN(CCC#N)CCCc1ccccc1 269982a_100000693637_100011215226 [0,1,1,0,0,0|0,0,1]=3 1324 B15R1.157 CN(CCC#N)CCOc1ccccc1 2230a_100000184383_100011215226 [0,1,1,0,0,0|1,0,1]=4 1325 B15R1.157 CN(CCC#N)CCOc1ccccc1 2230a_100000184479_100000184471 [0,1,1,0,0,0|1,0,1]=4 1326 B15R1.157 CN(CCC#N)CCOc1ccccc1 269982a_100000184383_100011215226 [0,1,1,0,0,0|1,0,1]=4 1327 B15R1.157 CN(CCC#N)CCOc1ccccc1 270004a_100000184479_100000758736 [0,1,1,0,0,0|1,0,1]=4 1328 B15R1.157 CN(CCC#N)CCSc1ccccc1 2230a_100000184479_100000246102 [0,1,1,0,0,0|1,0,1]=4 1329 B15R1.157 CN(CCC#N)COCc1ccccc1 2230a_100000184479_100000763385 [0,1,1,0,0,0|1,0,1]=4 1330 B15R1.157 CN(CCC#N)CSCc1ccccc1 2230a_100000184479_200011217039 [0,1,1,0,0,0|1,0,1]=4 1331 B15R1.157 CN(CCCF)CCCc1ccccc1 2230a_100000693637_100011934791 [0,1,1,0,0,0|0,0,2]=4 1332 B15R1.157 CN(CCCF)CCCc1ccccc1 269982a_100000693637_100011934791 [0,1,1,0,0,0|0,0,2]=4 1333 B15R1.157 CN(CCCO)CCCc1ccccc1 2230a_100000213112_100000211621 [0,1,1,0,0,0|0,0,2]=4 1334 B15R1.157 CN(CCCO)CCCc1ccccc1 2230a_100000693637_100000230001 [0,1,1,0,0,0|0,0,2]=4 1335 B15R1.157 CN(CCCO)CCCc1ccccc1 269982a_100000213112_100000211621 [0,1,1,0,0,0|0,0,2]=4 1336 B15R1.157 CN(CCCO)CCCc1ccccc1 269982a_100000693637_100011215043 [0,1,1,0,0,0|0,0,2]=4 1337 B15R1.157 CN(CCCc1ccccc1)CSC#N 269982a_100000693637_100000211825 [0,1,1,0,0,0|1,0,0]=3 1338 B15R1.157 CN(CCOc1ccccc1)CSC#N 269982a_100000184383_100000211825 [0,1,1,0,0,0|2,0,0]=4 1339 B15R1.157 COCCN(C)CCCc1ccccc1 2230a_100000693637_100011201679 [0,1,1,0,0,0|0,0,2]=4 1340 B15R1.157 COCCN(C)CCCc1ccccc1 2230a_100000743101_100000211621 [0,1,1,0,0,0|0,0,2]=4 1341 B15R1.157 COCCN(C)CCCc1ccccc1 269982a_100000693637_100000233755 [0,1,1,0,0,0|0,0,2]=4 1342 B15R1.157 COCCN(C)CCCc1ccccc1 269982a_100000743101_100000211621 [0,1,1,0,0,0|0,0,2]=4 1343 B15R1.157 CSCCN(C)CCCc1ccccc1 2230a_100000686725_100000211621 [0,1,1,0,0,0|0,0,2]=4 1344 B15R1.157 CSCCN(C)CCCc1ccccc1 2230a_100000693637_100000751147 [0,1,1,0,0,0|0,0,2]=4 1345 B15R1.157 CSCCN(C)CCCc1ccccc1 269982a_100000686725_100000211621 [0,1,1,0,0,0|0,0,2]=4 1346 B15R1.157 CSCCN(C)CCCc1ccccc1 269982a_100000693637_100000212216 [0,1,1,0,0,0|0,0,2]=4 1347 B15R1.633 C#CCC(=O)CCCc1cccc(c1)Br 1458a_100000685939_100000184674 [0,1,1,0,0,0|2,0,0]=4 1348 B15R1.633 C#CCC(=O)CCCc1cccc(c1)Br 1458a_100011220946_100011713683 [0,1,1,0,0,0|2,0,0]=4 1349 B15R1.633 C#CCC(=O)CCCc1cccc(c1)F 1458a_100011220946_200000698031 [0,1,1,0,0,0|2,0,0]=4 1350 B15R1.633 C#CCC(C)OCCc1cccc(c1)Br 34a_100000685586_100011740638 [0,1,1,0,0,0|2,0,0]=4 1351 B15R1.633 C#CCC(C)OCCc1cccc(c1)Br 7a_100000685586_100011740638 [0,1,1,0,0,0|2,0,0]=4 1352 B15R1.633 C#CCC(C)OCCc1cccc(c1)C 34a_100000685586_100011713685 [0,1,1,0,0,0|2,0,0]=4 1353 B15R1.633 C#CCC(C)OCCc1cccc(c1)C 7a_100000685586_100011713685 [0,1,1,0,0,0|2,0,0]=4 1354 B15R1.633 C#CCC(C)OCCc1cccc(c1)Cl 34a_100000685586_100011713710 [0,1,1,0,0,0|2,0,0]=4 1355 B15R1.633 C#CCC(C)OCCc1cccc(c1)Cl 7a_100000685586_100011713710 [0,1,1,0,0,0|2,0,0]=4 1356 B15R1.633 C#CCC(C)OCCc1cccc(c1)F 34a_100000685586_100011217235 [0,1,1,0,0,0|2,0,0]=4 1357 B15R1.633 C#CCC(C)OCCc1cccc(c1)F 7a_100000685586_100011217235 [0,1,1,0,0,0|2,0,0]=4 1358 B15R1.633 C#CCN(C)CC#Cc1cccc(c1)Br 2230a_100000225692_100010706776 [0,1,1,0,0,0|0,0,2]=4 1359 B15R1.633 C#CCN(C)CC#Cc1cccc(c1)Br 34a_100000225692_100010706776 [0,1,1,0,0,0|0,0,2]=4 1360 B15R1.633 C#CCN(C)CC#Cc1cccc(c1)F 2230a_100000225692_100010402994 [0,1,1,0,0,0|0,0,2]=4 1361 B15R1.633 C#CCN(C)CC#Cc1cccc(c1)F 34a_100000225692_100010402994 [0,1,1,0,0,0|0,0,2]=4 1362 B15R1.633 C#CCN(C)CC=Cc1cccc(c1)C 270004a_100000225692_100102525846 [0,1,1,0,0,0|0,0,2]=4 1363 B15R1.633 C#CCN(C)CC=Cc1cccc(c1)Cl 270004a_100000225692_100016268971 [0,1,1,0,0,0|0,0,2]=4 1364 B15R1.633 C#CCN(C)CCCc1cccc(c1)Br 2230a_100000225692_100011713683 [0,1,1,0,0,0|0,0,0]=2 1365 B15R1.633 C#CCN(C)CCCc1cccc(c1)Br 34a_100000225692_100011713683 [0,1,1,0,0,0|0,0,0]=2 1366 B15R1.633 C#CCN(C)CCCc1cccc(c1)F 2230a_100000225692_200000698031 [0,1,1,0,0,0|0,0,0]=2 1367 B15R1.633 C#CCN(C)CCCc1cccc(c1)F 34a_100000225692_200000698031 [0,1,1,0,0,0|0,0,0]=2 1368 B15R1.633 C#CCN(C)CCOc1cccc(c1)Br 2230a_100000225692_100000183150 [0,1,1,0,0,0|1,0,0]=3 1369 B15R1.633 C#CCN(C)CCOc1cccc(c1)Br 2230a_200000225663_100000038162 [0,1,1,0,0,0|1,0,0]=3 1370 B15R1.633 C#CCN(C)CCOc1cccc(c1)Br 34a_100000225692_100000183150 [0,1,1,0,0,0|1,0,0]=3 1371 B15R1.633 C#CCN(C)CCOc1cccc(c1)Br 34a_200000225663_100000184674 [0,1,1,0,0,0|1,0,0]=3 1372 B15R1.633 C#CCN(C)CCOc1cccc(c1)C 2230a_100000741895_100000038162 [0,1,1,0,0,0|1,0,0]=3 1373 B15R1.633 C#CCN(C)CCOc1cccc(c1)C 34a_100000741895_100000184674 [0,1,1,0,0,0|1,0,0]=3 1374 B15R1.633 C#CCN(C)CCOc1cccc(c1)Cl 2230a_100000225664_100000038162 [0,1,1,0,0,0|1,0,0]=3 1375 B15R1.633 C#CCN(C)CCOc1cccc(c1)Cl 2230a_100000225692_100000181161 [0,1,1,0,0,0|1,0,0]=3 1376 B15R1.633 C#CCN(C)CCOc1cccc(c1)Cl 34a_100000225664_100000184674 [0,1,1,0,0,0|1,0,0]=3 1377 B15R1.633 C#CCN(C)CCOc1cccc(c1)Cl 34a_100000225692_100000181161 [0,1,1,0,0,0|1,0,0]=3 1378 B15R1.633 C#CCN(C)CCOc1cccc(c1)F 2230a_100000225692_100000739188 [0,1,1,0,0,0|1,0,0]=3 1379 B15R1.633 C#CCN(C)CCOc1cccc(c1)F 34a_100000225692_100000739188 [0,1,1,0,0,0|1,0,0]=3 1380 B15R1.633 C=CCN(C)CCCc1cccc(c1)Br 2230a_100000225617_100011713683 [0,1,1,0,0,0|0,0,2]=4 1381 B15R1.633 C=CCN(C)CCCc1cccc(c1)Br 269982a_100000225617_100011713683 [0,1,1,0,0,0|0,0,2]=4 1382 B15R1.633 C=CCN(C)CCCc1cccc(c1)F 2230a_100000225617_200000698031 [0,1,1,0,0,0|0,0,2]=4 1383 B15R1.633 C=CCN(C)CCCc1cccc(c1)F 269982a_100000225617_200000698031 [0,1,1,0,0,0|0,0,2]=4 1384 B15R1.633 CCCN(C)CCCc1cccc(c1)Br 2230a_100000747261_100011713683 [0,1,1,0,0,0|0,0,2]=4 1385 B15R1.633 CCCN(C)CCCc1cccc(c1)Br 269982a_100000747261_100011713683 [0,1,1,0,0,0|0,0,2]=4 1386 B15R1.633 CCCN(C)CCCc1cccc(c1)F 2230a_100000747261_200000698031 [0,1,1,0,0,0|0,0,2]=4 1387 B15R1.633 CCCN(C)CCCc1cccc(c1)F 269982a_100000747261_200000698031 [0,1,1,0,0,0|0,0,2]=4 1388 B15R1.633 CN(CC#N)CCCc1cccc(c1)Br 2230a_100000748184_100011713683 [0,1,1,0,0,0|1,0,0]=3 1389 B15R1.633 CN(CC#N)CCCc1cccc(c1)F 2230a_100000748184_200000698031 [0,1,1,0,0,0|1,0,0]=3 1390 B15R1.633 CN(CC#N)CCOc1cccc(c1)Br 2230a_100000748184_100000183150 [0,1,1,0,0,0|2,0,0]=4 1391 B15R1.633 CN(CC#N)CCOc1cccc(c1)Br 2230a_200000225663_100011215382 [0,1,1,0,0,0|2,0,0]=4 1392 B15R1.633 CN(CC#N)CCOc1cccc(c1)Br 269982a_200000225663_100011214920 [0,1,1,0,0,0|2,0,0]=4 1393 B15R1.633 CN(CC#N)CCOc1cccc(c1)Cl 2230a_100000225664_100011215382 [0,1,1,0,0,0|2,0,0]=4 1394 B15R1.633 CN(CC#N)CCOc1cccc(c1)Cl 2230a_100000748184_100000181161 [0,1,1,0,0,0|2,0,0]=4 1395 B15R1.633 CN(CC#N)CCOc1cccc(c1)Cl 269982a_100000225664_100011214920 [0,1,1,0,0,0|2,0,0]=4 1396 B15R1.633 CN(CC#N)CCOc1cccc(c1)F 2230a_100000748184_100000739188 [0,1,1,0,0,0|2,0,0]=4 1397 B15R1.633 CN(CCO)CCCc1cccc(c1)Br 2230a_100000210263_100011713683 [0,1,1,0,0,0|1,0,1]=4 1398 B15R1.633 CN(CCO)CCCc1cccc(c1)Br 269982a_100000210263_100011713683 [0,1,1,0,0,0|1,0,1]=4 1399 B15R1.633 CN(CCO)CCCc1cccc(c1)F 2230a_100000210263_200000698031 [0,1,1,0,0,0|1,0,1]=4 1400 B15R1.633 CN(CCO)CCCc1cccc(c1)F 269982a_100000210263_200000698031 [0,1,1,0,0,0|1,0,1]=4 1401 B15R1.633 Cc1cccc(c1)OCCN(C)CC#N 2230a_100000741895_100011215382 [0,1,1,0,0,0|2,0,0]=4 1402 B15R1.633 Cc1cccc(c1)OCCN(C)CC#N 269982a_100000741895_100011214920 [0,1,1,0,0,0|2,0,0]=4 1403 B15R1.809 C#CCC(C)OC(C)Cc1ccccc1 34a_100000685586_200011218536 [0,1,1,0,0,0|2,0,0]=4 1404 B15R1.809 C#CCC(C)OC(C)Cc1ccccc1 7a_100000685586_200011218536 [0,1,1,0,0,0|2,0,0]=4 1405 B15R1.809 C#CCN(C)CC(=O)Cc1ccccc1 2230a_100000225692_100000233483 [0,1,1,0,0,0|0,0,1]=3 1406 B15R1.809 C#CCN(C)CC(=O)Nc1ccccc1 2230a_100000225692_100000182850 [0,1,1,0,0,0|1,0,1]=4 1407 B15R1.809 C#CCN(C)CC(=O)Nc1ccccc1 34a_100000225692_100000182850 [0,1,1,0,0,0|1,0,1]=4 1408 B15R1.809 C#CCN(C)CC(=O)Oc1ccccc1 2230a_100000225692_100009813826 [0,1,1,0,0,0|1,0,1]=4 1409 B15R1.809 C#CCN(C)CC(=O)Oc1ccccc1 34a_100000225692_100009813826 [0,1,1,0,0,0|1,0,1]=4 1410 B15R1.809 C#CCN(C)C[C@@H](O)Cc1ccccc1 2230a_100000225692_100000729385 [0,1,1,0,0,0|0,0,0]=2 1411 B15R1.809 C#CCN(C)C[C@@H](O)Cc1ccccc1 34a_100000225692_100000729385 [0,1,1,0,0,0|0,0,0]=2 1412 B15R1.809 C=CCN(C)C[C@@H](O)Cc1ccccc1 2230a_100000225617_100000729385 [0,1,1,0,0,0|0,0,2]=4 1413 B15R1.809 C=CCN(C)C[C@@H](O)Cc1ccccc1 269982a_100000225617_100000729385 [0,1,1,0,0,0|0,0,2]=4 1414 B15R1.809 CCCN(C)C[C@@H](O)Cc1ccccc1 2230a_100000747261_100000729385 [0,1,1,0,0,0|0,0,2]=4 1415 B15R1.809 CCCN(C)C[C@@H](O)Cc1ccccc1 269982a_100000747261_100000729385 [0,1,1,0,0,0|0,0,2]=4 1416 B15R1.809 CN(CC#N)CC(=O)Cc1ccccc1 2230a_100000748184_100000233483 [0,1,1,0,0,0|1,0,1]=4 1417 B15R1.809 CN(CC#N)C[C@@H](O)Cc1ccccc1 2230a_100000748184_100000729385 [0,1,1,0,0,0|1,0,0]=3 1418 B15R1.809 CN(CCO)C[C@@H](O)Cc1ccccc1 2230a_100000210263_100000729385 [0,1,1,0,0,0|1,0,1]=4 1419 B15R1.809 CN(CCO)C[C@@H](O)Cc1ccccc1 269982a_100000210263_100000729385 [0,1,1,0,0,0|1,0,1]=4 1420 B15R1.826 C#CCC(=O)C(C)CCc1ccccc1 1458a_100011435293_100000184674 [0,1,1,0,0,0|2,0,0]=4 1421 B15R1.826 C#CCC(=O)C(O)CCc1ccccc1 1458a_100000242596_100000184674 [0,1,1,0,0,0|2,0,0]=4 1422 B15R1.826 C#CCN(C)C(=O)CCc1ccccc1 11a_100000225692_100000185753 [0,1,1,0,0,0|0,0,1]=3 1423 B15R1.826 C#CCN(C)C(=O)CCc1ccccc1 1626a_100000225692_100000185753 [0,1,1,0,0,0|0,0,1]=3 1424 B15R1.826 C#CCN(C)C(=O)CCc1ccccc1 527a_100000225692_100000185753 [0,1,1,0,0,0|0,0,1]=3 1425 B15R1.826 C#CCN(C)C(=O)CCc1ccccn1 11a_100000225692_100015195070 [0,1,1,0,0,0|1,0,1]=4 1426 B15R1.826 C#CCN(C)C(=O)CCc1ccccn1 527a_100000225692_100015195070 [0,1,1,0,0,0|1,0,1]=4 1427 B15R1.826 C#CCN(C)C(=O)CCc1cccnc1 11a_100000225692_100000198484 [0,1,1,0,0,0|1,0,1]=4 1428 B15R1.826 C#CCN(C)C(=O)CCc1cccnc1 1626a_100000225692_100000198484 [0,1,1,0,0,0|1,0,1]=4 1429 B15R1.826 C#CCN(C)C(=O)CCc1cccnc1 527a_100000225692_100000198484 [0,1,1,0,0,0|1,0,1]=4 1430 B15R1.826 C#CCN(C)C(=O)CCc1ccncc1 11a_100000225692_100011225043 [0,1,1,0,0,0|1,0,1]=4 1431 B15R1.826 C#CCN(C)C(=O)CCc1ccncc1 527a_100000225692_100011225043 [0,1,1,0,0,0|1,0,1]=4 1432 B15R1.826 C#CCN(C)C(=O)COc1ccccc1 11a_100000225692_100000186222 [0,1,1,0,0,0|1,0,1]=4 1433 B15R1.826 C#CCN(C)C(=O)COc1ccccc1 1626a_100000225692_100000186222 [0,1,1,0,0,0|1,0,1]=4 1434 B15R1.826 C#CCN(C)C(=O)COc1ccccc1 527a_100000225692_100000186222 [0,1,1,0,0,0|1,0,1]=4 1435 B15R1.826 C#CCN(C)C(=O)CSc1ccccc1 11a_100000225692_100000211596 [0,1,1,0,0,0|1,0,1]=4 1436 B15R1.826 C#CCN(C)C(=O)CSc1ccccc1 1626a_100000225692_100000211596 [0,1,1,0,0,0|1,0,1]=4 1437 B15R1.826 C#CCN(C)C(=O)CSc1ccccc1 527a_100000225692_100000211596 [0,1,1,0,0,0|1,0,1]=4 1438 B15R1.826 C#CCN(C)C(=O)NCc1ccccc1 2708a_100015324214_100000225692 [0,1,1,0,0,0|1,0,1]=4 1439 B15R1.826 C#CCN(C)C(=O)NCc1ccccc1 273464a_100015324214_100000225692 [0,1,1,0,0,0|1,0,1]=4 1440 B15R1.826 C#CCN(C)C(C)CCc1ccccc1 270004a_100000225692_100000210092 [0,1,1,0,0,0|0,0,0]=2 1441 B15R1.826 C#CCN(C)C(C)COc1ccccc1 270004a_100000225692_100000150576 [0,1,1,0,0,0|1,0,0]=3 1442 B15R1.826 C#CCN(C)C(C)CSc1ccccc1 270004a_100000225692_100000150717 [0,1,1,0,0,0|1,0,0]=3 1443 B15R1.826 C=CCN(C)C(C)CCc1ccccc1 270004a_100000225617_100000210092 [0,1,1,0,0,0|0,0,2]=4 1444 B15R1.826 CC(CCc1ccccc1)N(C)CCO 270004a_100000210263_100000210092 [0,1,1,0,0,0|1,0,1]=4 1445 B15R1.826 CCCN(C)C(C)CCc1ccccc1 270004a_100000747261_100000210092 [0,1,1,0,0,0|0,0,2]=4 1446 B15R1.826 CN(CC#N)C(=O)CCc1ccccc1 11a_100000748184_100000185753 [0,1,1,0,0,0|1,0,1]=4 1447 B15R1.826 CN(CC#N)C(=O)CCc1ccccc1 1626a_100000748184_100000185753 [0,1,1,0,0,0|1,0,1]=4 1448 B15R1.1252 C#CCC(=O)CCCc1ccccc1Br 1458a_100011220946_200011713681 [0,1,1,0,0,0|2,0,0]=4 1449 B15R1.1252 C#CCC(=O)CCCc1ccccc1Cl 1458a_100000700343_100000184674 [0,1,1,0,0,0|2,0,0]=4 1450 B15R1.1252 C#CCC(=O)CCCc1ccccc1O 1458a_100009859317_100000184674 [0,1,1,0,0,0|2,0,0]=4 1451 B15R1.1252 C#CCC(C)OCCc1ccccc1Br 34a_100000685586_100012161201 [0,1,1,0,0,0|2,0,0]=4 1452 B15R1.1252 C#CCC(C)OCCc1ccccc1Br 7a_100000685586_100012161201 [0,1,1,0,0,0|2,0,0]=4 1453 B15R1.1252 C#CCC(C)OCCc1ccccc1C 34a_100000685586_100011713688 [0,1,1,0,0,0|2,0,0]=4 1454 B15R1.1252 C#CCC(C)OCCc1ccccc1C 7a_100000685586_100011713688 [0,1,1,0,0,0|2,0,0]=4 1455 B15R1.1252 C#CCC(C)OCCc1ccccc1Cl 34a_100000685586_100011713703 [0,1,1,0,0,0|2,0,0]=4 1456 B15R1.1252 C#CCC(C)OCCc1ccccc1Cl 7a_100000685586_100011713703 [0,1,1,0,0,0|2,0,0]=4 1457 B15R1.1252 C#CCC(C)OCCc1ccccc1F 34a_100000685586_100000720011 [0,1,1,0,0,0|2,0,0]=4 1458 B15R1.1252 C#CCC(C)OCCc1ccccc1F 7a_100000685586_100000720011 [0,1,1,0,0,0|2,0,0]=4 1459 B15R1.1252 C#CCC(C)OCCc1ccccc1O 34a_100000685586_100000722297 [0,1,1,0,0,0|2,0,0]=4 1460 B15R1.1252 C#CCC(C)OCCc1ccccc1O 7a_100000685586_100000722297 [0,1,1,0,0,0|2,0,0]=4 1461 B15R1.1252 C#CCN(C)CC#Cc1ccccc1Br 2230a_100000225692_100010706765 [0,1,1,0,0,0|0,0,2]=4 1462 B15R1.1252 C#CCN(C)CC#Cc1ccccc1Br 34a_100000225692_100010706765 [0,1,1,0,0,0|0,0,2]=4 1463 B15R1.1252 C#CCN(C)CC#Cc1ccccc1F 2230a_100000225692_100010404167 [0,1,1,0,0,0|0,0,2]=4 1464 B15R1.1252 C#CCN(C)CC#Cc1ccccc1F 34a_100000225692_100010404167 [0,1,1,0,0,0|0,0,2]=4 1465 B15R1.1252 C#CCN(C)CC=Cc1ccccc1Br 270004a_100000225692_200016268969 [0,1,1,0,0,0|0,0,2]=4 1466 B15R1.1252 C#CCN(C)CC=Cc1ccccc1Cl 270004a_100000225692_200102525841 [0,1,1,0,0,0|0,0,2]=4 1467 B15R1.1252 C#CCN(C)CC=Cc1ccccc1F 270004a_100000225692_200102525844 [0,1,1,0,0,0|0,0,2]=4 1468 B15R1.1252 C#CCN(C)CCCc1ccccc1Br 2230a_100000225692_200011713681 [0,1,1,0,0,0|0,0,0]=2 1469 B15R1.1252 C#CCN(C)CCCc1ccccc1Br 34a_100000225692_200011713681 [0,1,1,0,0,0|0,0,0]=2 1470 B15R1.1252 C#CCN(C)CCOc1ccccc1Br 2230a_100000225692_100000695877 [0,1,1,0,0,0|1,0,0]=3 1471 B15R1.1252 C#CCN(C)CCOc1ccccc1Br 34a_100000225692_100000695877 [0,1,1,0,0,0|1,0,0]=3 1472 B15R1.1252 C#CCN(C)CCOc1ccccc1C 2230a_100000225692_100000184434 [0,1,1,0,0,0|1,0,0]=3 1473 B15R1.1252 C#CCN(C)CCOc1ccccc1C 34a_100000225692_100000184434 [0,1,1,0,0,0|1,0,0]=3 1474 B15R1.1252 C#CCN(C)CCOc1ccccc1F 2230a_100000225692_100000183290 [0,1,1,0,0,0|1,0,0]=3 1475 B15R1.1252 C#CCN(C)CCOc1ccccc1F 34a_100000225692_100000183290 [0,1,1,0,0,0|1,0,0]=3 1476 B15R1.1252 C=CCN(C)CCCc1ccccc1Br 2230a_100000225617_200011713681 [0,1,1,0,0,0|0,0,2]=4 1477 B15R1.1252 C=CCN(C)CCCc1ccccc1Br 269982a_100000225617_200011713681 [0,1,1,0,0,0|0,0,2]=4 1478 B15R1.1252 CCCN(C)CCCc1ccccc1Br 2230a_100000747261_200011713681 [0,1,1,0,0,0|0,0,2]=4 1479 B15R1.1252 CCCN(C)CCCc1ccccc1Br 269982a_100000747261_200011713681 [0,1,1,0,0,0|0,0,2]=4 1480 B15R1.1252 CN(CC#N)CCCc1ccccc1Br 2230a_100000748184_200011713681 [0,1,1,0,0,0|1,0,0]=3 1481 B15R1.1252 CN(CC#N)CCOc1ccccc1Br 2230a_100000748184_100000695877 [0,1,1,0,0,0|2,0,0]=4 1482 B15R1.1252 CN(CC#N)CCOc1ccccc1F 2230a_100000748184_100000183290 [0,1,1,0,0,0|2,0,0]=4 1483 B15R1.1252 CN(CCO)CCCc1ccccc1Br 2230a_100000210263_200011713681 [0,1,1,0,0,0|1,0,1]=4 1484 B15R1.1252 CN(CCO)CCCc1ccccc1Br 269982a_100000210263_200011713681 [0,1,1,0,0,0|1,0,1]=4 1485 B15R1.1252 Cc1ccccc1OCCN(C)CC#N 2230a_100000748184_100000184434 [0,1,1,0,0,0|2,0,0]=4 1486 B15R1.1306 C#CCC(CC)OCCc1ccccc1 34a_200011217983_100000765856 [0,1,1,0,0,0|2,0,0]=4 1487 B15R1.1306 C#CCC(CC)OCCc1ccccc1 7a_200011217983_100000765856 [0,1,1,0,0,0|2,0,0]=4 1488 B15R1.1306 C#CCN(CC)C/C=C/c1ccccc1 2230a_100000744766_100016265936 [0,1,1,0,0,0|0,0,2]=4 1489 B15R1.1306 C#CCN(CC)C/C=C/c1ccccc1 2230a_100020603567_100000038162 [0,1,1,0,0,0|0,0,2]=4 1490 B15R1.1306 C#CCN(CC)C/C=C/c1ccccc1 269982a_100000744766_100016265936 [0,1,1,0,0,0|0,0,2]=4 1491 B15R1.1306 C#CCN(CC)CC#Cc1ccccc1 2230a_100000744766_100011352542 [0,1,1,0,0,0|0,0,2]=4 1492 B15R1.1306 C#CCN(CC)CC#Cc1ccccc1 269982a_100000744766_100011352542 [0,1,1,0,0,0|0,0,2]=4 1493 B15R1.1306 C#CCN(CC)CC=Cc1ccccc1 270004a_100000744766_100000210105 [0,1,1,0,0,0|0,0,2]=4 1494 B15R1.1306 C#CCN(CC)CCCc1ccccc1 2230a_100000744766_100000211621 [0,1,1,0,0,0|0,0,0]=2 1495 B15R1.1306 C#CCN(CC)CCCc1ccccc1 269982a_100000744766_100000211621 [0,1,1,0,0,0|0,0,0]=2 1496 B15R1.1306 C#CCN(CC)CCOc1ccccc1 2230a_100000744766_100000184471 [0,1,1,0,0,0|1,0,0]=3 1497 B15R1.1306 C#CCN(CC)CCOc1ccccc1 2230a_100015187784_100000038162 [0,1,1,0,0,0|1,0,0]=3 1498 B15R1.1306 C#CCN(CC)CCOc1ccccc1 269982a_100000744766_100000184471 [0,1,1,0,0,0|1,0,0]=3 1499 B15R1.1306 C#CCN(CC)CCOc1ccccc1 270004a_100000744766_100000758736 [0,1,1,0,0,0|1,0,0]=3 1500 B15R1.1306 C#CCN(CC)CCSc1ccccc1 2230a_100000744766_100000246102 [0,1,1,0,0,0|1,0,0]=3 1501 B15R1.1306 C#CCN(CC)CCSc1ccccc1 269982a_100000744766_100000246102 [0,1,1,0,0,0|1,0,0]=3 1502 B15R1.1306 C#CCN(CC)COCc1ccccc1 2230a_100000744766_100000763385 [0,1,1,0,0,0|1,0,0]=3 1503 B15R1.1306 C#CCN(CC)CSCc1ccccc1 2230a_100000744766_200011217039 [0,1,1,0,0,0|1,0,0]=3 1504 B15R1.1306 C#CCN(CC)CSCc1ccccc1 269982a_100000744766_200011217039 [0,1,1,0,0,0|1,0,0]=3 1505 B15R1.1306 CCCN(CC)CCCc1ccccc1 2230a_100000226822_100000211621 [0,1,1,0,0,0|0,0,2]=4 1506 B15R1.1306 CCCN(CC)CCCc1ccccc1 269982a_100000226822_100000211621 [0,1,1,0,0,0|0,0,2]=4 1507 B15R1.1306 CCN(CC#N)CCOc1ccccc1 2230a_100015187784_100011215382 [0,1,1,0,0,0|2,0,0]=4 1508 B15R1.1306 CCN(CC#N)CCOc1ccccc1 269982a_100015187784_100011214920 [0,1,1,0,0,0|2,0,0]=4 1509 B15R1.1306 CCN(CCO)CCCc1ccccc1 2230a_100000210973_100000211621 [0,1,1,0,0,0|1,0,1]=4 1510 B15R1.1306 CCN(CCO)CCCc1ccccc1 269982a_100000210973_100000211621 [0,1,1,0,0,0|1,0,1]=4 1511 B15R1.1321 C#CC(=O)C(C)CCCc1ccccc1 1458a_100000211873_200010759516 [0,1,1,0,0,0|1,0,1]=4 1512 B15R1.1321 C#CC(C)C(=O)CCCc1ccccc1 1458a_100011207963_200000035995 [0,1,1,0,0,0|2,0,0]=4 1513 B15R1.1321 C=CC(C)N(C)CCCc1ccccc1 269982a_100000693637_100011215867 [0,1,1,0,0,0|0,0,2]=4 1514 B15R1.1321 CC(C#N)N(C)CCCc1ccccc1 2230a_100000693637_100000184139 [0,1,1,0,0,0|1,0,0]=3 1515 B15R1.1321 CC(C#N)N(C)CCCc1ccccc1 269982a_100000693637_100000703298 [0,1,1,0,0,0|1,0,0]=3 1516 B15R1.1321 CC(C#N)N(C)CCOc1ccccc1 2230a_100000184383_100000184139 [0,1,1,0,0,0|2,0,0]=4 1517 B15R1.1321 CC(C#N)N(C)CCOc1ccccc1 269982a_100000184383_100000703298 [0,1,1,0,0,0|2,0,0]=4 1518 B15R1.1321 CC(C#N)N(C)CCOc1ccccc1 270004a_100000745055_100000758736 [0,1,1,0,0,0|2,0,0]=4 1519 B15R1.1321 CC(CO)N(C)CCCc1ccccc1 2230a_100000693034_100000211621 [0,1,1,0,0,0|1,0,1]=4 1520 B15R1.1321 CC(CO)N(C)CCCc1ccccc1 2230a_100000693637_100012180447 [0,1,1,0,0,0|1,0,1]=4 1521 B15R1.1321 CC(CO)N(C)CCCc1ccccc1 269982a_100000693034_100000211621 [0,1,1,0,0,0|1,0,1]=4 1522 B15R1.1321 CCC(C)N(C)CCCc1ccccc1 2230a_100000693637_100000758301 [0,1,1,0,0,0|0,0,2]=4 1523 B15R1.1321 CCC(C)N(C)CCCc1ccccc1 2230a_100000741768_100000211621 [0,1,1,0,0,0|0,0,2]=4 1524 B15R1.1321 CCC(C)N(C)CCCc1ccccc1 269982a_100000693637_100000758301 [0,1,1,0,0,0|0,0,2]=4 1525 B15R1.1321 CCC(C)N(C)CCCc1ccccc1 269982a_100000741768_100000211621 [0,1,1,0,0,0|0,0,2]=4 1526 B15R1.1321 COC(C)N(C)CCCc1ccccc1 269982a_100000693637_100009879195 [0,1,1,0,0,0|1,0,1]=4 1527 B15R1.1321 C[C@H](CO)N(C)CCCc1ccccc1 269982a_100000693637_100016084084 [0,1,1,0,0,0|1,0,1]=4 1528 B15R1.9084 C=C(C)CN(C)CCCc1ccccc1 2230a_100000225649_100000211621 [0,1,1,0,0,0|0,0,2]=4 1529 B15R1.9084 C=C(C)CN(C)CCCc1ccccc1 2230a_100000693637_100000748629 [0,1,1,0,0,0|0,0,2]=4 1530 B15R1.9084 C=C(C)CN(C)CCCc1ccccc1 269982a_100000225649_100000211621 [0,1,1,0,0,0|0,0,2]=4 1531 B15R1.9084 C=C(C)CN(C)CCCc1ccccc1 269982a_100000693637_100000748629 [0,1,1,0,0,0|0,0,2]=4 1532 B15R1.9084 C=C(F)CN(C)CCCc1ccccc1 2230a_100000693637_100009893438 [0,1,1,0,0,0|0,0,2]=4 1533 B15R1.9084 C=C(F)CN(C)CCCc1ccccc1 269982a_100000693637_100009893438 [0,1,1,0,0,0|0,0,2]=4 1534 B15R1.9084 CC(C)CN(C)CCCc1ccccc1 2230a_100000693637_100000210760 [0,1,1,0,0,0|0,0,2]=4 1535 B15R1.9084 CC(C)CN(C)CCCc1ccccc1 2230a_100000747067_100000211621 [0,1,1,0,0,0|0,0,2]=4 1536 B15R1.9084 CC(C)CN(C)CCCc1ccccc1 269982a_100000693637_100000210624 [0,1,1,0,0,0|0,0,2]=4 1537 B15R1.9084 CC(C)CN(C)CCCc1ccccc1 269982a_100000747067_100000211621 [0,1,1,0,0,0|0,0,2]=4 1538 B15R1.9084 CC(C)CN(C)CCCc1ccccc1 270004a_100000693637_100000210432 [0,1,1,0,0,0|0,0,2]=4 1539 B15R1.9084 CC(O)CN(C)CCCc1ccccc1 2230a_100000227577_100000211621 [0,1,1,0,0,0|0,0,2]=4 1540 B15R1.9084 CC(O)CN(C)CCCc1ccccc1 2230a_100000693637_100011218427 [0,1,1,0,0,0|0,0,2]=4 1541 B15R1.9084 CC(O)CN(C)CCCc1ccccc1 269982a_100000227577_100000211621 [0,1,1,0,0,0|0,0,2]=4 1542 B15R1.9084 CC(O)CN(C)CCCc1ccccc1 269982a_100000693637_100011218427 [0,1,1,0,0,0|0,0,2]=4 1543 B15R1.9084 CN(CCCc1ccccc1)CC(=O)N 2230a_100000693637_100000747473 [0,1,1,0,0,0|1,0,1]=4 1544 B15R1.9084 CN(CCCc1ccccc1)CC(=O)N 2230a_100000739694_100000211621 [0,1,1,0,0,0|1,0,1]=4 1545 B15R1.9084 CN(CCCc1ccccc1)CC(=O)N 269982a_100000693637_100000187820 [0,1,1,0,0,0|1,0,1]=4 1546 B15R1.9084 CN(CCCc1ccccc1)CC(=O)O 269956a_100000746989_100000211621 [0,1,1,0,0,0|1,0,1]=4 1547 B15R1.9084 CN(CCCc1ccccc1)CC(=O)[O-] 269982a_100000693637_100020667443 [0,1,1,0,0,0|1,0,1]=4 1548 B15R1.9084 CN(CCCc1ccccc1)CC(F)F 2230a_100000693637_100011934356 [0,1,1,0,0,0|1,0,1]=4 1549 B15R1.9084 CN(CCCc1ccccc1)CC(F)F 269982a_100000693637_100011934356 [0,1,1,0,0,0|1,0,1]=4 1550 B15R1.9084 CN(CCCc1ccccc1)C[N+](=O)[O-] 269982a_100000693637_100000761209 [0,1,1,0,0,0|2,0,0]=4 1551 B15R1.9084 C[C@@H](O)CN(C)CCCc1ccccc1 2230a_100000693637_100009817552 [0,1,1,0,0,0|0,0,2]=4 1552 B15R1.9084 C[C@@H](O)CN(C)CCCc1ccccc1 269982a_100000693637_100009817552 [0,1,1,0,0,0|0,0,2]=4 1553 B15R1.174 C#CCN(CC)C(C=C)c1ccccc1 2230a_100000744766_200000085779 [0,1,1,0,0,0|0,0,2]=4 1554 B15R1.174 C#CCN(CC)C(C=C)c1ccccc1 269982a_100000744766_200000085779 [0,1,1,0,0,0|0,0,2]=4 1555 B15R1.174 C#CCN(CC)C(CC)c1ccccc1 2230a_100000737450_100000038162 [0,1,1,0,0,0|0,0,0]=2 1556 B15R1.174 C#CCN(CC)C(CC)c1ncccn1 270004a_100000744766_200011350823 [0,1,1,0,0,0|2,0,0]=4 1557 B15R1.174 C=CCN(CC)C(CC)c1ccccc1 2230a_100000737450_100000210623 [0,1,1,0,0,0|0,0,2]=4 1558 B15R1.174 C=CCN(CC)C(CC)c1ccccc1 269982a_100000737450_100000210623 [0,1,1,0,0,0|0,0,2]=4 1559 B15R1.174 CCC(c1ccccc1)N(CC)CC#N 2230a_100000737450_100011215382 [0,1,1,0,0,0|1,0,0]=3 1560 B15R1.174 CCC(c1ccccc1)N(CC)CC#N 269982a_100000737450_100011214920 [0,1,1,0,0,0|1,0,0]=3 1561 B15R1.174 CCC(c1ccccc1)N(CC)CC=O 2230a_100000737450_200015260668 [0,1,1,0,0,0|1,0,1]=4 1562 B15R1.174 CCC(c1ccccc1)N(CC)CC=O 269982a_100000737450_200015260668 [0,1,1,0,0,0|1,0,1]=4 1563 B15R1.174 CCC(c1ccccc1)N(CC)CCF 2230a_100000737450_100011217306 [0,1,1,0,0,0|1,0,1]=4 1564 B15R1.174 CCC(c1ccccc1)N(CC)CCF 269982a_100000737450_100011217306 [0,1,1,0,0,0|1,0,1]=4 1565 B15R1.174 CCC(c1ccccc1)N(CC)CCO 2230a_100000737450_100000211926 [0,1,1,0,0,0|1,0,1]=4 1566 B15R1.174 CCC(c1ccccc1)N(CC)CCO 269982a_100000737450_100000211926 [0,1,1,0,0,0|1,0,1]=4 1567 B15R1.174 CCC(c1ccccc1)N(CC)COC 2230a_100000737450_100000766300 [0,1,1,0,0,0|1,0,1]=4 1568 B15R1.174 CCC(c1ccccc1)N(CC)COC 269982a_100000737450_100000766300 [0,1,1,0,0,0|1,0,1]=4 1569 B15R1.174 CCC(c1ccccc1)N(CC)CSC 2230a_100000737450_100011218213 [0,1,1,0,0,0|1,0,1]=4 1570 B15R1.174 CCC(c1ccccc1)N(CC)CSC 269982a_100000737450_100011218213 [0,1,1,0,0,0|1,0,1]=4 1571 B15R1.174 CCCN(CC)C(CC)c1ccccc1 2230a_100000737431_100000210202 [0,1,1,0,0,0|0,0,2]=4 1572 B15R1.174 CCCN(CC)C(CC)c1ccccc1 2230a_100000737450_100000210303 [0,1,1,0,0,0|0,0,2]=4 1573 B15R1.174 CCCN(CC)C(CC)c1ccccc1 269982a_100000737431_100000204670 [0,1,1,0,0,0|0,0,2]=4 1574 B15R1.174 CCCN(CC)C(CC)c1ccccc1 269982a_100000737450_100000210303 [0,1,1,0,0,0|0,0,2]=4 1575 B15R1.174 CCCN(CF)C(CC)c1ccccc1 269982a_100000737431_100015361967 [0,1,1,0,0,0|0,0,2]=4 1576 B15R1.769 C#CCC(=O)C(CC)c1ccc(cc1)Br 1458a_100011934198_100000184674 [0,1,1,0,0,0|2,0,0]=4 1577 B15R1.769 C#CCN(C)C(CC)c1ccc(cc1)Br 2230a_100000231127_100000038162 [0,1,1,0,0,0|0,0,0]=2 1578 B15R1.769 C#CCN(C)C(CC)c1ccc(cn1)Br 270004a_100000225692_100012351654 [0,1,1,0,0,0|1,0,0]=3 1579 B15R1.769 C#CCN(C)C(CC)c1ncc(cn1)Br 270004a_100000225692_200010116844 [0,1,1,0,0,0|2,0,0]=4 1580 B15R1.769 C=CCN(C)C(CC)c1ccc(cc1)Br 2230a_100000231127_100000210623 [0,1,1,0,0,0|0,0,2]=4 1581 B15R1.769 C=CCN(C)C(CC)c1ccc(cc1)Br 269982a_100000231127_100000210623 [0,1,1,0,0,0|0,0,2]=4 1582 B15R1.769 CCC(c1ccc(cc1)Br)N(C)CC#N 2230a_100000231127_100011215382 [0,1,1,0,0,0|1,0,0]=3 1583 B15R1.769 CCC(c1ccc(cc1)Br)N(C)CC#N 269982a_100000231127_100011214920 [0,1,1,0,0,0|1,0,0]=3 1584 B15R1.769 CCC(c1ccc(cc1)Br)N(C)CC=O 2230a_100000231127_200015260668 [0,1,1,0,0,0|1,0,1]=4 1585 B15R1.769 CCC(c1ccc(cc1)Br)N(C)CC=O 269982a_100000231127_200015260668 [0,1,1,0,0,0|1,0,1]=4 1586 B15R1.769 CCC(c1ccc(cc1)Br)N(C)CCF 2230a_100000231127_100011217306 [0,1,1,0,0,0|1,0,1]=4 1587 B15R1.769 CCC(c1ccc(cc1)Br)N(C)CCF 269982a_100000231127_100011217306 [0,1,1,0,0,0|1,0,1]=4 1588 B15R1.769 CCC(c1ccc(cc1)Br)N(C)CCO 2230a_100000231127_100000211926 [0,1,1,0,0,0|1,0,1]=4 1589 B15R1.769 CCC(c1ccc(cc1)Br)N(C)CCO 269982a_100000231127_100000211926 [0,1,1,0,0,0|1,0,1]=4 1590 B15R1.769 CCC(c1ccc(cc1)Br)N(C)COC 2230a_100000231127_100000766300 [0,1,1,0,0,0|1,0,1]=4 1591 B15R1.769 CCC(c1ccc(cc1)Br)N(C)COC 269982a_100000231127_100000766300 [0,1,1,0,0,0|1,0,1]=4 1592 B15R1.769 CCC(c1ccc(cc1)Br)N(C)CSC 2230a_100000231127_100011218213 [0,1,1,0,0,0|1,0,1]=4 1593 B15R1.769 CCC(c1ccc(cc1)Br)N(C)CSC 269982a_100000231127_100011218213 [0,1,1,0,0,0|1,0,1]=4 1594 B15R1.769 CCCN(C)C(CC)c1ccc(cc1)Br 2230a_100000231127_100000210303 [0,1,1,0,0,0|0,0,2]=4 1595 B15R1.769 CCCN(C)C(CC)c1ccc(cc1)Br 269982a_100000231127_100000210303 [0,1,1,0,0,0|0,0,2]=4 1596 B15R1.770 C#CCN(C)C(CC)c1cc(ccn1)Cl 270004a_100000225692_200000094848 [0,1,1,0,0,0|1,0,0]=3 1597 B15R1.1215 C#CCCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000753159 [0,1,1,0,0,0|2,0,0]=4 1598 B15R1.1215 C#CCCN(C)C(CC)c1ccccc1 2230a_100000737544_100000688953 [0,1,1,0,0,0|0,0,0]=2 1599 B15R1.1215 C#CCCN(C)C(CC)c1ccccc1 269982a_100000737544_100000730999 [0,1,1,0,0,0|0,0,0]=2 1600 B15R1.1215 C#CCCN(C)C(CC)c1ccccn1 2230a_100011351527_100000688953 [0,1,1,0,0,0|1,0,0]=3 1601 B15R1.1215 C#CCCN(C)C(CC)c1ccccn1 269982a_100011351527_100000730999 [0,1,1,0,0,0|1,0,0]=3 1602 B15R1.1215 C#CCCN(C)C(CC)c1cccnc1 2230a_200011351541_100000688953 [0,1,1,0,0,0|1,0,0]=3 1603 B15R1.1215 C#CCCN(C)C(CC)c1cccnc1 269982a_200011351541_100000730999 [0,1,1,0,0,0|1,0,0]=3 1604 B15R1.1215 C#CCNC(=O)C(CC)c1ccccc1 11a_100000212058_100000211302 [0,1,1,0,0,0|2,0,0]=4 1605 B15R1.1215 C#CCNC(=O)C(CC)c1ccccc1 1626a_100000212058_100000211302 [0,1,1,0,0,0|2,0,0]=4 1606 B15R1.1215 C#CCNC(=O)C(CC)c1ccccc1 240690a_100000212058_100000211302 [0,1,1,0,0,0|2,0,0]=4 1607 B15R1.1215 C#CCNC(=O)C(CC)c1ccccc1 527a_100000212058_100000211302 [0,1,1,0,0,0|2,0,0]=4 1608 B15R1.1215 C/C=C/CN(C)C(CC)c1ccccc1 269982a_100000737544_100102629194 [0,1,1,0,0,0|0,0,2]=4 1609 B15R1.1215 C=CCCN(C)C(CC)c1ccccc1 2230a_100000737544_100000754431 [0,1,1,0,0,0|0,0,2]=4 1610 B15R1.1215 C=CCCN(C)C(CC)c1ccccc1 269982a_100000737544_100000754431 [0,1,1,0,0,0|0,0,2]=4 1611 B15R1.1215 CC#CCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000748600 [0,1,1,0,0,0|2,0,0]=4 1612 B15R1.1215 CC#CCN(C)C(CC)c1ccccc1 2230a_100000737544_100000748600 [0,1,1,0,0,0|0,0,0]=2 1613 B15R1.1215 CC#CCN(C)C(CC)c1ccccn1 2230a_100011351527_100000748600 [0,1,1,0,0,0|1,0,0]=3 1614 B15R1.1215 CC#CCN(C)C(CC)c1cccnc1 2230a_200011351541_100000748600 [0,1,1,0,0,0|1,0,0]=3 1615 B15R1.1215 CC=CCN(C)C(CC)c1ccccc1 2230a_100000737544_100000070051 [0,1,1,0,0,0|0,0,2]=4 1616 B15R1.1215 CCC(c1ccccc1)N(C)CCC#N 2230a_100000737544_100011215226 [0,1,1,0,0,0|0,0,1]=3 1617 B15R1.1215 CCC(c1ccccc1)N(C)CCC#N 269982a_100000737544_100011215226 [0,1,1,0,0,0|0,0,1]=3 1618 B15R1.1215 CCC(c1ccccc1)N(C)CCCF 2230a_100000737544_100011934791 [0,1,1,0,0,0|0,0,2]=4 1619 B15R1.1215 CCC(c1ccccc1)N(C)CCCF 269982a_100000737544_100011934791 [0,1,1,0,0,0|0,0,2]=4 1620 B15R1.1215 CCC(c1ccccc1)N(C)CCCO 2230a_100000737544_100000230001 [0,1,1,0,0,0|0,0,2]=4 1621 B15R1.1215 CCC(c1ccccc1)N(C)CCCO 269982a_100000737544_100011215043 [0,1,1,0,0,0|0,0,2]=4 1622 B15R1.1215 CCC(c1ccccc1)N(C)CCOC 2230a_100000737544_100011201679 [0,1,1,0,0,0|0,0,2]=4 1623 B15R1.1215 CCC(c1ccccc1)N(C)CCOC 269982a_100000737544_100000233755 [0,1,1,0,0,0|0,0,2]=4 1624 B15R1.1215 CCC(c1ccccc1)N(C)CCSC 2230a_100000737544_100000751147 [0,1,1,0,0,0|0,0,2]=4 1625 B15R1.1215 CCC(c1ccccc1)N(C)CCSC 269982a_100000737544_100000212216 [0,1,1,0,0,0|0,0,2]=4 1626 B15R1.1215 CCC(c1ccccc1)N(C)CSC#N 269982a_100000737544_100000211825 [0,1,1,0,0,0|1,0,0]=3 1627 B15R1.1215 CCC(c1ccccn1)N(C)CCC#N 2230a_100011351527_100011215226 [0,1,1,0,0,0|1,0,1]=4 1628 B15R1.1215 CCC(c1ccccn1)N(C)CCC#N 269982a_100011351527_100011215226 [0,1,1,0,0,0|1,0,1]=4 1629 B15R1.1215 CCC(c1ccccn1)N(C)CSC#N 269982a_100011351527_100000211825 [0,1,1,0,0,0|2,0,0]=4 1630 B15R1.1215 CCC(c1cccnc1)N(C)CCC#N 2230a_200011351541_100011215226 [0,1,1,0,0,0|1,0,1]=4 1631 B15R1.1215 CCC(c1cccnc1)N(C)CCC#N 269982a_200011351541_100011215226 [0,1,1,0,0,0|1,0,1]=4 1632 B15R1.1215 CCC(c1cccnc1)N(C)CSC#N 269982a_200011351541_100000211825 [0,1,1,0,0,0|2,0,0]=4 1633 B15R1.1215 CCCCN(C)C(CC)c1ccccc1 2230a_100000737544_100000210211 [0,1,1,0,0,0|0,0,2]=4 1634 B15R1.1215 CCCCN(C)C(CC)c1ccccc1 2230a_100000756087_200000210301 [0,1,1,0,0,0|0,0,2]=4 1635 B15R1.1215 CCCCN(C)C(CC)c1ccccc1 269982a_100000737544_100000210211 [0,1,1,0,0,0|0,0,2]=4 1636 B15R1.1215 CCCCN(C)C(CC)c1ccccc1 269982a_100000756087_200000210301 [0,1,1,0,0,0|0,0,2]=4 1637 B15R1.1215 CCCCN([13CH3])C(CC)c1ccccc1 2230a_100000756087_200025704644 [0,1,1,0,0,0|0,0,2]=4 1638 B15R1.1215 CCCCN([13CH3])C(CC)c1ccccc1 269982a_100000756087_200025704644 [0,1,1,0,0,0|0,0,2]=4 1639 B15R1.1215 CCOCN(C)C(CC)c1ccccc1 269982a_100000737544_100000739092 [0,1,1,0,0,0|0,0,2]=4 1640 B15R1.1329 C#CC(C)C(=O)C(CC)c1ccccc1 1458a_100000211302_200000035995 [0,1,1,0,0,0|2,0,0]=4 1641 B15R1.1329 C=CC(C)N(C)C(CC)c1ccccc1 269982a_100000737544_100011215867 [0,1,1,0,0,0|0,0,2]=4 1642 B15R1.1329 CCC(C)N(C)C(CC)c1ccccc1 2230a_100000737544_100000758301 [0,1,1,0,0,0|0,0,2]=4 1643 B15R1.1329 CCC(C)N(C)C(CC)c1ccccc1 269982a_100000737544_100000758301 [0,1,1,0,0,0|0,0,2]=4 1644 B15R1.1329 CCC(c1ccccc1)N(C)C(C)C#N 2230a_100000737544_100000184139 [0,1,1,0,0,0|1,0,0]=3 1645 B15R1.1329 CCC(c1ccccc1)N(C)C(C)C#N 269982a_100000737544_100000703298 [0,1,1,0,0,0|1,0,0]=3 1646 B15R1.1329 CCC(c1ccccc1)N(C)C(C)CO 2230a_100000737544_100012180447 [0,1,1,0,0,0|1,0,1]=4 1647 B15R1.1329 CCC(c1ccccc1)N(C)C(C)OC 269982a_100000737544_100009879195 [0,1,1,0,0,0|1,0,1]=4 1648 B15R1.1329 CCC(c1ccccc1)N(C)[C@H](C)CO 269982a_100000737544_100016084084 [0,1,1,0,0,0|1,0,1]=4 1649 B15R1.1329 CCC(c1ccccn1)N(C)C(C)C#N 2230a_100011351527_100000184139 [0,1,1,0,0,0|2,0,0]=4 1650 B15R1.1329 CCC(c1ccccn1)N(C)C(C)C#N 269982a_100011351527_100000703298 [0,1,1,0,0,0|2,0,0]=4 1651 B15R1.1329 CCC(c1cccnc1)N(C)C(C)C#N 2230a_200011351541_100000184139 [0,1,1,0,0,0|2,0,0]=4 1652 B15R1.1329 CCC(c1cccnc1)N(C)C(C)C#N 269982a_200011351541_100000703298 [0,1,1,0,0,0|2,0,0]=4 1653 B15R1.1350 C=C(C)CN(C)C(CC)c1ccccc1 2230a_100000737544_100000748629 [0,1,1,0,0,0|0,0,2]=4 1654 B15R1.1350 C=C(C)CN(C)C(CC)c1ccccc1 269982a_100000737544_100000748629 [0,1,1,0,0,0|0,0,2]=4 1655 B15R1.1350 C=C(F)CN(C)C(CC)c1ccccc1 2230a_100000737544_100009893438 [0,1,1,0,0,0|0,0,2]=4 1656 B15R1.1350 C=C(F)CN(C)C(CC)c1ccccc1 269982a_100000737544_100009893438 [0,1,1,0,0,0|0,0,2]=4 1657 B15R1.1350 CCC(c1ccccc1)N(C)CC(=O)N 2230a_100000737544_100000747473 [0,1,1,0,0,0|1,0,1]=4 1658 B15R1.1350 CCC(c1ccccc1)N(C)CC(=O)N 269982a_100000737544_100000187820 [0,1,1,0,0,0|1,0,1]=4 1659 B15R1.1350 CCC(c1ccccc1)N(C)CC(=O)[O-] 269982a_100000737544_100020667443 [0,1,1,0,0,0|1,0,1]=4 1660 B15R1.1350 CCC(c1ccccc1)N(C)CC(C)C 2230a_100000737544_100000210760 [0,1,1,0,0,0|0,0,2]=4 1661 B15R1.1350 CCC(c1ccccc1)N(C)CC(C)C 269982a_100000737544_100000210624 [0,1,1,0,0,0|0,0,2]=4 1662 B15R1.1350 CCC(c1ccccc1)N(C)CC(C)C 270004a_100000737544_100000210432 [0,1,1,0,0,0|0,0,2]=4 1663 B15R1.1350 CCC(c1ccccc1)N(C)CC(C)O 2230a_100000737544_100011218427 [0,1,1,0,0,0|0,0,2]=4 1664 B15R1.1350 CCC(c1ccccc1)N(C)CC(C)O 269982a_100000737544_100011218427 [0,1,1,0,0,0|0,0,2]=4 1665 B15R1.1350 CCC(c1ccccc1)N(C)CC(F)F 2230a_100000737544_100011934356 [0,1,1,0,0,0|1,0,1]=4 1666 B15R1.1350 CCC(c1ccccc1)N(C)CC(F)F 269982a_100000737544_100011934356 [0,1,1,0,0,0|1,0,1]=4 1667 B15R1.1350 CCC(c1ccccc1)N(C)C[C@@H](C)O 2230a_100000737544_100009817552 [0,1,1,0,0,0|0,0,2]=4 1668 B15R1.1350 CCC(c1ccccc1)N(C)C[C@@H](C)O 269982a_100000737544_100009817552 [0,1,1,0,0,0|0,0,2]=4 1669 B15R1.1350 CCC(c1ccccc1)N(C)C[N+](=O)[O-] 269982a_100000737544_100000761209 [0,1,1,0,0,0|2,0,0]=4 1670 B15R1.9917 C#CCC(=O)C(CCCl)c1ccccc1 1458a_100011220946_200010132975 [0,1,1,0,0,0|2,0,0]=4 1671 B15R1.9917 C#CCN(C)C(CCCl)c1ccccc1 2230a_100000225692_200010132975 [0,1,1,0,0,0|0,0,0]=2 1672 B15R1.9917 C#CCN(C)C(COC)c1ccccn1 2230a_200011935022_100000038162 [0,1,1,0,0,0|1,0,0]=3 1673 B15R1.9917 C=CCN(C)C(CCCl)c1ccccc1 2230a_100000225617_200010132975 [0,1,1,0,0,0|0,0,2]=4 1674 B15R1.9917 C=CCN(C)C(CCCl)c1ccccc1 269982a_100000225617_200010132975 [0,1,1,0,0,0|0,0,2]=4 1675 B15R1.9917 CCCN(C)C(CCCl)c1ccccc1 2230a_100000747261_200010132975 [0,1,1,0,0,0|0,0,2]=4 1676 B15R1.9917 CCCN(C)C(CCCl)c1ccccc1 269982a_100000747261_200010132975 [0,1,1,0,0,0|0,0,2]=4 1677 B15R1.9917 CN(CC#N)C(CCCl)c1ccccc1 2230a_100000748184_200010132975 [0,1,1,0,0,0|1,0,0]=3 1678 B15R1.9917 CN(CCO)C(CCCl)c1ccccc1 2230a_100000210263_200010132975 [0,1,1,0,0,0|1,0,1]=4 1679 B15R1.9917 CN(CCO)C(CCCl)c1ccccc1 269982a_100000210263_200010132975 [0,1,1,0,0,0|1,0,1]=4 1680 B15R1.9917 COCC(c1ccccn1)N(C)CC#N 2230a_200011935022_100011215382 [0,1,1,0,0,0|2,0,0]=4 1681 B15R1.9917 COCC(c1ccccn1)N(C)CC#N 269982a_200011935022_100011214920 [0,1,1,0,0,0|2,0,0]=4 1682 B15R1.9919 C#CCC(=O)C(O)(CC)c1ccccc1 1458a_100011434905_100000184674 [0,1,1,0,0,0|2,0,0]=4 1683 B15R1.9922 C#CCC(=O)C(c1ccccc1)C(C)C 1458a_100000764467_100000184674 [0,1,1,0,0,0|2,0,0]=4 1684 B15R1.9922 C#CCN(C)C(C(=O)C)c1ccccc1 2230a_100000225692_100009888967 [0,1,1,0,0,0|0,0,1]=3 1685 B15R1.9922 C#CCN(C)C(C(=O)N)c1ccccc1 2230a_100000225692_100000188848 [0,1,1,0,0,0|1,0,1]=4 1686 B15R1.9922 C#CCN(C)C(c1ccccc1)C(C)C 2230a_100000233099_100000038162 [0,1,1,0,0,0|0,0,0]=2 1687 B15R1.9922 C=CCN(C)C(c1ccccc1)C(C)C 2230a_100000233099_100000210623 [0,1,1,0,0,0|0,0,2]=4 1688 B15R1.9922 C=CCN(C)C(c1ccccc1)C(C)C 269982a_100000233099_100000210623 [0,1,1,0,0,0|0,0,2]=4 1689 B15R1.9922 CC(=O)C(c1ccccc1)N(C)CC#N 2230a_100000748184_100009888967 [0,1,1,0,0,0|1,0,1]=4 1690 B15R1.9922 CC(C)C(c1ccccc1)N(C)CC#N 2230a_100000233099_100011215382 [0,1,1,0,0,0|1,0,0]=3 1691 B15R1.9922 CC(C)C(c1ccccc1)N(C)CC#N 269982a_100000233099_100011214920 [0,1,1,0,0,0|1,0,0]=3 1692 B15R1.9922 CC(C)C(c1ccccc1)N(C)CC=O 2230a_100000233099_200015260668 [0,1,1,0,0,0|1,0,1]=4 1693 B15R1.9922 CC(C)C(c1ccccc1)N(C)CC=O 269982a_100000233099_200015260668 [0,1,1,0,0,0|1,0,1]=4 1694 B15R1.9922 CC(C)C(c1ccccc1)N(C)CCF 2230a_100000233099_100011217306 [0,1,1,0,0,0|1,0,1]=4 1695 B15R1.9922 CC(C)C(c1ccccc1)N(C)CCF 269982a_100000233099_100011217306 [0,1,1,0,0,0|1,0,1]=4 1696 B15R1.9922 CC(C)C(c1ccccc1)N(C)CCO 2230a_100000233099_100000211926 [0,1,1,0,0,0|1,0,1]=4 1697 B15R1.9922 CC(C)C(c1ccccc1)N(C)CCO 269982a_100000233099_100000211926 [0,1,1,0,0,0|1,0,1]=4 1698 B15R1.9922 CCCN(C)C(c1ccccc1)C(C)C 2230a_100000233099_100000210303 [0,1,1,0,0,0|0,0,2]=4 1699 B15R1.9922 CCCN(C)C(c1ccccc1)C(C)C 269982a_100000233099_100000210303 [0,1,1,0,0,0|0,0,2]=4 1700 B15R1.9922 COCN(C)C(c1ccccc1)C(C)C 2230a_100000233099_100000766300 [0,1,1,0,0,0|1,0,1]=4 1701 B15R1.9922 COCN(C)C(c1ccccc1)C(C)C 269982a_100000233099_100000766300 [0,1,1,0,0,0|1,0,1]=4 1702 B15R1.9922 CSCN(C)C(c1ccccc1)C(C)C 2230a_100000233099_100011218213 [0,1,1,0,0,0|1,0,1]=4 1703 B15R1.9922 CSCN(C)C(c1ccccc1)C(C)C 269982a_100000233099_100011218213 [0,1,1,0,0,0|1,0,1]=4 1704 B15R1.10394 C#CCC(=O)C(CC)c1ccccc1Cl 1458a_100011667493_100000184674 [0,1,1,0,0,0|2,0,0]=4 1705 B15R1.1145 C=C(C)CN(C)Cc1ccccc1CC 270004a_100000225649_100011219594 [0,1,1,0,0,0|0,0,2]=4 1706 B15R1.1145 CCc1ccccc1CN(C)CC(=O)N 270004a_100000739694_100011219594 [0,1,1,0,0,0|1,0,1]=4 1707 B15R1.1145 CCc1ccccc1CN(C)CC(C)C 270004a_100000747067_100011219594 [0,1,1,0,0,0|0,0,2]=4 1708 B15R1.1145 CCc1ccccc1CN(C)CC(C)O 270004a_100000227577_100011219594 [0,1,1,0,0,0|0,0,2]=4 1709 B15R1.1147 CC(C#N)N(C)Cc1ccccc1CO 2230a_100000044721_100000184139 [0,1,1,0,0,0|2,0,0]=4 1710 B15R1.1147 CC(C#N)N(C)Cc1ccccc1CO 269982a_100000044721_100000703298 [0,1,1,0,0,0|2,0,0]=4 1711 B15R1.1147 CCc1ccccc1CN(C)C(C)C#N 270004a_100000745055_100011219594 [0,1,1,0,0,0|1,0,0]=3 1712 B15R1.1147 CCc1ccccc1CN(C)C(C)CC 270004a_100000741768_100011219594 [0,1,1,0,0,0|0,0,2]=4 1713 B15R1.1147 CCc1ccccc1CN(C)C(C)CO 270004a_100000693034_100011219594 [0,1,1,0,0,0|1,0,1]=4 1714 B15R1.1147 COc1ccccc1CN(C)C(C)C#N 2230a_100000184376_100000184139 [0,1,1,0,0,0|2,0,0]=4 1715 B15R1.1147 COc1ccccc1CN(C)C(C)C#N 269982a_100000184376_100000703298 [0,1,1,0,0,0|2,0,0]=4 1716 B15R1.1147 COc1ccccc1CN(C)C(C)C#N 270004a_100000745055_100000169842 [0,1,1,0,0,0|2,0,0]=4 1717 B15R1.1147 CSc1ccccc1CN(C)C(C)C#N 270004a_100000745055_100011217347 [0,1,1,0,0,0|2,0,0]=4 1718 B15R1.1253 C#CCN(C)Cc1cc(ccc1C#N)Br 2230a_100000225692_100000718229 [0,1,1,0,0,0|1,0,1]=4 1719 B15R1.1253 C#CCN(C)Cc1cc(ccc1C#N)Br 26a_100000225692_100011934713 [0,1,1,0,0,0|1,0,1]=4 1720 B15R1.1253 C#CCN(C)Cc1cc(ccc1C#N)Br 34a_100000225692_100000718229 [0,1,1,0,0,0|1,0,1]=4 1721 B15R1.1253 C#CCN(C)Cc1cc(ccc1C#N)F 2230a_100000225692_100000759424 [0,1,1,0,0,0|1,0,1]=4 1722 B15R1.1253 C#CCN(C)Cc1cc(ccc1C#N)F 34a_100000225692_100000759424 [0,1,1,0,0,0|1,0,1]=4 1723 B15R1.1253 C#CCN(C)Cc1cc(ccc1C=O)F 2230a_100000225692_100010132768 [0,1,1,0,0,0|1,0,1]=4 1724 B15R1.1253 C#CCN(C)Cc1cc(ccc1C=O)F 34a_100000225692_100010132768 [0,1,1,0,0,0|1,0,1]=4 1725 B15R1.1253 C#CCN(C)Cc1cc(ccc1CO)Br 26a_100000225692_100000071718 [0,1,1,0,0,0|1,0,0]=3 1726 B15R1.1253 C#CCN(C)Cc1cc(ccc1OC)Br 2230a_100000225692_100000204665 [0,1,1,0,0,0|1,0,0]=3 1727 B15R1.1253 C#CCN(C)Cc1cc(ccc1OC)Br 2230a_100000690607_100000038162 [0,1,1,0,0,0|1,0,0]=3 1728 B15R1.1253 C#CCN(C)Cc1cc(ccc1OC)Br 26a_100000225692_100009816560 [0,1,1,0,0,0|1,0,0]=3 1729 B15R1.1253 C#CCN(C)Cc1cc(ccc1OC)Br 270004a_100000225692_100000170026 [0,1,1,0,0,0|1,0,0]=3 1730 B15R1.1253 C#CCN(C)Cc1cc(ccc1OC)Br 34a_100000225692_100000204665 [0,1,1,0,0,0|1,0,0]=3 1731 B15R1.1253 C#CCN(C)Cc1cc(ccc1OC)C 2230a_100000225692_100000199068 [0,1,1,0,0,0|1,0,0]=3 1732 B15R1.1253 C#CCN(C)Cc1cc(ccc1OC)C 270004a_100000225692_100000203738 [0,1,1,0,0,0|1,0,0]=3 1733 B15R1.1253 C#CCN(C)Cc1cc(ccc1OC)C 34a_100000225692_100000199068 [0,1,1,0,0,0|1,0,0]=3 1734 B15R1.1253 C#CCN(C)Cc1cc(ccc1OC)Cl 2230a_100000225692_100000209806 [0,1,1,0,0,0|1,0,0]=3 1735 B15R1.1253 C#CCN(C)Cc1cc(ccc1OC)Cl 2230a_100000737271_100000038162 [0,1,1,0,0,0|1,0,0]=3 1736 B15R1.1253 C#CCN(C)Cc1cc(ccc1OC)Cl 270004a_100000225692_100000188328 [0,1,1,0,0,0|1,0,0]=3 1737 B15R1.1253 C#CCN(C)Cc1cc(ccc1OC)Cl 34a_100000225692_100000209806 [0,1,1,0,0,0|1,0,0]=3 1738 B15R1.1253 C#CCN(C)Cc1cc(ccc1OC)F 2230a_100000225692_100011830354 [0,1,1,0,0,0|1,0,0]=3 1739 B15R1.1253 C#CCN(C)Cc1cc(ccc1OC)F 270004a_100000225692_100000722865 [0,1,1,0,0,0|1,0,0]=3 1740 B15R1.1253 C#CCN(C)Cc1cc(ccc1OC)F 34a_100000225692_100011830354 [0,1,1,0,0,0|1,0,0]=3 1741 B15R1.1253 C#CCN(C)Cc1cc(ccc1OC)I 270004a_100000225692_100011266407 [0,1,1,0,0,0|1,0,0]=3 1742 B15R1.1253 C#CCN(C)Cc1cc(cnc1OC)Br 2230a_100000225692_100010065838 [0,1,1,0,0,0|2,0,0]=4 1743 B15R1.1253 C#CCN(C)Cc1cc(cnc1OC)Br 270004a_100000225692_100009814609 [0,1,1,0,0,0|2,0,0]=4 1744 B15R1.1253 C#CCN(C)Cc1cc(cnc1OC)Br 34a_100000225692_100010065838 [0,1,1,0,0,0|2,0,0]=4 1745 B15R1.1253 C#CCN(C)Cc1cc(cnc1OC)C 270004a_100000225692_100000118322 [0,1,1,0,0,0|2,0,0]=4 1746 B15R1.1253 C#CCN(C)Cc1cc(cnc1OC)F 270004a_100000225692_100000081817 [0,1,1,0,0,0|2,0,0]=4 1747 B15R1.1253 C#CCN(C)Cc1nc(ccc1OC)Br 270004a_100000225692_200010137984 [0,1,1,0,0,0|2,0,0]=4 1748 B15R1.1253 CN(CC#N)Cc1cc(ccc1CO)Br 26a_100000748184_100000071718 [0,1,1,0,0,0|2,0,0]=4 1749 B15R1.1253 COc1ccc(cc1CN(C)CC#N)Br 2230a_100000690607_100011215382 [0,1,1,0,0,0|2,0,0]=4 1750 B15R1.1253 COc1ccc(cc1CN(C)CC#N)Br 2230a_100000748184_100000204665 [0,1,1,0,0,0|2,0,0]=4 1751 B15R1.1253 COc1ccc(cc1CN(C)CC#N)Br 269982a_100000690607_100011214920 [0,1,1,0,0,0|2,0,0]=4 1752 B15R1.1253 COc1ccc(cc1CN(C)CC#N)Br 26a_100000748184_100009816560 [0,1,1,0,0,0|2,0,0]=4 1753 B15R1.1253 COc1ccc(cc1CN(C)CC#N)C 2230a_100000748184_100000199068 [0,1,1,0,0,0|2,0,0]=4 1754 B15R1.1253 COc1ccc(cc1CN(C)CC#N)Cl 2230a_100000737271_100011215382 [0,1,1,0,0,0|2,0,0]=4 1755 B15R1.1253 COc1ccc(cc1CN(C)CC#N)Cl 2230a_100000748184_100000209806 [0,1,1,0,0,0|2,0,0]=4 1756 B15R1.1253 COc1ccc(cc1CN(C)CC#N)Cl 269982a_100000737271_100011214920 [0,1,1,0,0,0|2,0,0]=4 1757 B15R1.1253 COc1ccc(cc1CN(C)CC#N)F 2230a_100000748184_100011830354 [0,1,1,0,0,0|2,0,0]=4 1758 B15R1.1274 C#CCN(C)Cc1ccccc1B(O)O 2230a_100000225692_100009814197 [0,1,1,0,0,0|2,0,0]=4 1759 B15R1.1274 C#CCN(C)Cc1ccccc1B(O)O 34a_100000225692_100009814197 [0,1,1,0,0,0|2,0,0]=4 1760 B15R1.1274 C#CCN(C)Cc1ccccc1C(C)C 26a_100000225692_100000211617 [0,1,1,0,0,0|0,0,0]=2 1761 B15R1.1274 C#CCN(C)Cc1ccccc1C(C)C 270004a_100000225692_100011361515 [0,1,1,0,0,0|0,0,0]=2 1762 B15R1.1274 C#CCN(C)Cc1ccccc1C(F)F 270004a_100000225692_100009869017 [0,1,1,0,0,0|1,0,0]=3 1763 B15R1.1274 C#CCN(C)Cc1ccccc1N(C)C 270004a_100000225692_100000750901 [0,1,1,0,0,0|1,0,0]=3 1764 B15R1.1274 C#CCN(C)Cc1ccccc1[N+](=O)[O-] 2230a_100000225692_100000181388 [0,1,1,0,0,0|2,0,0]=4 1765 B15R1.1274 C#CCN(C)Cc1ccccc1[N+](=O)[O-] 2230a_100000737654_100000038162 [0,1,1,0,0,0|2,0,0]=4 1766 B15R1.1274 C#CCN(C)Cc1ccccc1[N+](=O)[O-] 270004a_100000225692_100000186027 [0,1,1,0,0,0|2,0,0]=4 1767 B15R1.1274 C#CCN(C)Cc1ccccc1[N+](=O)[O-] 34a_100000225692_100000181388 [0,1,1,0,0,0|2,0,0]=4 1768 B15R1.1274 C#CCN(C)Cc1cccnc1N(C)C 270004a_100000225692_100000731630 [0,1,1,0,0,0|2,0,0]=4 1769 B15R1.1274 C#CCN(C)Cc1ncccc1C(C)C 2230a_100000225692_200134614246 [0,1,1,0,0,0|1,0,0]=3 1770 B15R1.1274 C#CCN(C)Cc1ncccc1C(C)C 34a_100000225692_200134614246 [0,1,1,0,0,0|1,0,0]=3 1771 B15R1.1274 C=CCN(C)Cc1ccccc1C(C)C 26a_100000225617_100000211617 [0,1,1,0,0,0|0,0,2]=4 1772 B15R1.1274 C=CCN(C)Cc1ccccc1C(C)C 270004a_100000225617_100011361515 [0,1,1,0,0,0|0,0,2]=4 1773 B15R1.1274 CC(C)c1ccccc1CN(C)CC#N 26a_100000748184_100000211617 [0,1,1,0,0,0|1,0,0]=3 1774 B15R1.1274 CC(C)c1ccccc1CN(C)CCO 26a_100000210263_100000211617 [0,1,1,0,0,0|1,0,1]=4 1775 B15R1.1274 CC(C)c1ccccc1CN(C)CCO 270004a_100000210263_100011361515 [0,1,1,0,0,0|1,0,1]=4 1776 B15R1.1274 CC(C)c1cccnc1CN(C)CC#N 2230a_100000748184_200134614246 [0,1,1,0,0,0|2,0,0]=4 1777 B15R1.1274 CCCN(C)Cc1ccccc1C(C)C 26a_100000747261_100000211617 [0,1,1,0,0,0|0,0,2]=4 1778 B15R1.1274 CCCN(C)Cc1ccccc1C(C)C 270004a_100000747261_100011361515 [0,1,1,0,0,0|0,0,2]=4 1779 B15R1.2546 C#CCN(C)Cc1cccc(c1C#N)Br 2230a_100000225692_200010145453 [0,1,1,0,0,0|1,0,1]=4 1780 B15R1.2546 C#CCN(C)Cc1cccc(c1C#N)Br 34a_100000225692_200010145453 [0,1,1,0,0,0|1,0,1]=4 1781 B15R1.2546 C#CCN(C)Cc1cccc(c1C#N)F 2230a_100000225692_100000707650 [0,1,1,0,0,0|1,0,1]=4 1782 B15R1.2546 C#CCN(C)Cc1cccc(c1C#N)F 34a_100000225692_100000707650 [0,1,1,0,0,0|1,0,1]=4 1783 B15R1.2546 C#CCN(C)Cc1cccc(c1OC)Br 2230a_100000225692_100011470457 [0,1,1,0,0,0|1,0,0]=3 1784 B15R1.2546 C#CCN(C)Cc1cccc(c1OC)Br 26a_100000225692_100010234590 [0,1,1,0,0,0|1,0,0]=3 1785 B15R1.2546 C#CCN(C)Cc1cccc(c1OC)Br 270004a_100000225692_100000692592 [0,1,1,0,0,0|1,0,0]=3 1786 B15R1.2546 C#CCN(C)Cc1cccc(c1OC)Br 34a_100000225692_100011470457 [0,1,1,0,0,0|1,0,0]=3 1787 B15R1.2546 C#CCN(C)Cc1cccc(c1OC)C 2230a_100000225692_100012349798 [0,1,1,0,0,0|1,0,0]=3 1788 B15R1.2546 C#CCN(C)Cc1cccc(c1OC)C 270004a_100000225692_100011361485 [0,1,1,0,0,0|1,0,0]=3 1789 B15R1.2546 C#CCN(C)Cc1cccc(c1OC)C 34a_100000225692_100012349798 [0,1,1,0,0,0|1,0,0]=3 1790 B15R1.2546 C#CCN(C)Cc1cccc(c1OC)Cl 26a_100000225692_200009886253 [0,1,1,0,0,0|1,0,0]=3 1791 B15R1.2546 C#CCN(C)Cc1cccc(c1OC)Cl 270004a_100000225692_100011466644 [0,1,1,0,0,0|1,0,0]=3 1792 B15R1.2546 C#CCN(C)Cc1cccc(c1OC)F 270004a_100000225692_100011830294 [0,1,1,0,0,0|1,0,0]=3 1793 B15R1.2546 C#CCN(C)Cc1ccnc(c1OC)Br 270004a_100000225692_200009814792 [0,1,1,0,0,0|2,0,0]=4 1794 B15R1.2546 C#CCN(C)Cc1ccnc(c1OC)Cl 270004a_100000225692_100009863717 [0,1,1,0,0,0|2,0,0]=4 1795 B15R1.2546 C#CCN(C)Cc1cncc(c1OC)Br 270004a_100000225692_100015834815 [0,1,1,0,0,0|2,0,0]=4 1796 B15R1.2546 C#CCN(C)Cc1nccc(c1OC)Cl 2230a_100000225692_100015371371 [0,1,1,0,0,0|2,0,0]=4 1797 B15R1.2546 C#CCN(C)Cc1nccc(c1OC)Cl 34a_100000225692_100015371371 [0,1,1,0,0,0|2,0,0]=4 1798 B15R1.2546 COc1c(cccc1CN(C)CC#N)Br 2230a_100000748184_100011470457 [0,1,1,0,0,0|2,0,0]=4 1799 B15R1.2546 COc1c(cccc1CN(C)CC#N)Br 26a_100000748184_100010234590 [0,1,1,0,0,0|2,0,0]=4 1800 B15R1.2546 COc1c(cccc1CN(C)CC#N)C 2230a_100000748184_100012349798 [0,1,1,0,0,0|2,0,0]=4 1801 B15R1.2546 COc1c(cccc1CN(C)CC#N)Cl 26a_100000748184_200009886253 [0,1,1,0,0,0|2,0,0]=4 1802 B15R1.2560 C#CCN(C)Cc1c(cccc1C#N)Br 2230a_100000225692_100010145454 [0,1,1,0,0,0|1,0,1]=4 1803 B15R1.2560 C#CCN(C)Cc1c(cccc1C#N)Br 26a_100000225692_100009817103 [0,1,1,0,0,0|1,0,1]=4 1804 B15R1.2560 C#CCN(C)Cc1c(cccc1C#N)Br 34a_100000225692_100010145454 [0,1,1,0,0,0|1,0,1]=4 1805 B15R1.2560 C#CCN(C)Cc1c(cccc1C#N)Cl 2230a_100000225692_100010254528 [0,1,1,0,0,0|1,0,1]=4 1806 B15R1.2560 C#CCN(C)Cc1c(cccc1C#N)Cl 34a_100000225692_100010254528 [0,1,1,0,0,0|1,0,1]=4 1807 B15R1.2560 C#CCN(C)Cc1c(cccc1C#N)F 2230a_100000225692_100010254529 [0,1,1,0,0,0|1,0,1]=4 1808 B15R1.2560 C#CCN(C)Cc1c(cccc1C#N)F 34a_100000225692_100010254529 [0,1,1,0,0,0|1,0,1]=4 1809 B15R1.2560 C#CCN(C)Cc1c(cccc1C=O)F 2230a_100000225692_100010132767 [0,1,1,0,0,0|1,0,1]=4 1810 B15R1.2560 C#CCN(C)Cc1c(cccc1C=O)F 34a_100000225692_100010132767 [0,1,1,0,0,0|1,0,1]=4 1811 B15R1.2560 C#CCN(C)Cc1c(cccc1CC)Br 26a_100000225692_200010001580 [0,1,1,0,0,0|0,0,0]=2 1812 B15R1.2560 C#CCN(C)Cc1c(cccc1OC)Br 26a_100000225692_100000686866 [0,1,1,0,0,0|1,0,0]=3 1813 B15R1.2560 C#CCN(C)Cc1c(cccc1OC)Br 270004a_100000225692_100009814803 [0,1,1,0,0,0|1,0,0]=3 1814 B15R1.2560 C#CCN(C)Cc1c(cccc1OC)C 270004a_100000225692_100000050978 [0,1,1,0,0,0|1,0,0]=3 1815 B15R1.2560 C#CCN(C)Cc1c(cccc1OC)Cl 2230a_100000225692_100012349678 [0,1,1,0,0,0|1,0,0]=3 1816 B15R1.2560 C#CCN(C)Cc1c(cccc1OC)Cl 270004a_100000225692_100000757644 [0,1,1,0,0,0|1,0,0]=3 1817 B15R1.2560 C#CCN(C)Cc1c(cccc1OC)Cl 34a_100000225692_100012349678 [0,1,1,0,0,0|1,0,0]=3 1818 B15R1.2560 C#CCN(C)Cc1c(cccc1OC)F 2230a_100000225692_100011216731 [0,1,1,0,0,0|1,0,0]=3 1819 B15R1.2560 C#CCN(C)Cc1c(cccc1OC)F 270004a_100000225692_100011216730 [0,1,1,0,0,0|1,0,0]=3 1820 B15R1.2560 C#CCN(C)Cc1c(cccc1OC)F 34a_100000225692_100011216731 [0,1,1,0,0,0|1,0,0]=3 1821 B15R1.2560 C#CCN(C)Cc1c(ccnc1OC)Cl 270004a_100000225692_100009849443 [0,1,1,0,0,0|2,0,0]=4 1822 B15R1.2560 C=CCN(C)Cc1c(cccc1CC)Br 26a_100000225617_200010001580 [0,1,1,0,0,0|0,0,2]=4 1823 B15R1.2560 CCCN(C)Cc1c(cccc1CC)Br 26a_100000747261_200010001580 [0,1,1,0,0,0|0,0,2]=4 1824 B15R1.2560 CCc1cccc(c1CN(C)CC#N)Br 26a_100000748184_200010001580 [0,1,1,0,0,0|1,0,0]=3 1825 B15R1.2560 CCc1cccc(c1CN(C)CCO)Br 26a_100000210263_200010001580 [0,1,1,0,0,0|1,0,1]=4 1826 B15R1.2560 COc1cccc(c1CN(C)CC#N)Br 26a_100000748184_100000686866 [0,1,1,0,0,0|2,0,0]=4 1827 B15R1.2560 COc1cccc(c1CN(C)CC#N)Cl 2230a_100000748184_100012349678 [0,1,1,0,0,0|2,0,0]=4 1828 B15R1.2560 COc1cccc(c1CN(C)CC#N)F 2230a_100000748184_100011216731 [0,1,1,0,0,0|2,0,0]=4 1829 B15R1.2621 C#CCN(CC)Cc1ccccc1C#N 2230a_100000744766_100000181865 [0,1,1,0,0,0|1,0,1]=4 1830 B15R1.2621 C#CCN(CC)Cc1ccccc1C#N 269982a_100000744766_100000181865 [0,1,1,0,0,0|1,0,1]=4 1831 B15R1.2621 C#CCN(CC)Cc1ccccc1C=O 2230a_100000744766_200009853537 [0,1,1,0,0,0|1,0,1]=4 1832 B15R1.2621 C#CCN(CC)Cc1ccccc1C=O 269982a_100000744766_200009853537 [0,1,1,0,0,0|1,0,1]=4 1833 B15R1.2621 C#CCN(CC)Cc1ccccc1CC 270004a_100000744766_100011219594 [0,1,1,0,0,0|0,0,0]=2 1834 B15R1.2621 C#CCN(CC)Cc1ccccc1CO 2230a_100000744766_100009816955 [0,1,1,0,0,0|1,0,0]=3 1835 B15R1.2621 C#CCN(CC)Cc1ccccc1CO 269982a_100000744766_100009816955 [0,1,1,0,0,0|1,0,0]=3 1836 B15R1.2621 C#CCN(CC)Cc1ccccc1OC 2230a_100000744766_100000210004 [0,1,1,0,0,0|1,0,0]=3 1837 B15R1.2621 C#CCN(CC)Cc1ccccc1OC 269982a_100000744766_100000210004 [0,1,1,0,0,0|1,0,0]=3 1838 B15R1.2621 C#CCN(CC)Cc1ccccc1OC 270004a_100000744766_100000169842 [0,1,1,0,0,0|1,0,0]=3 1839 B15R1.2621 C#CCN(CC)Cc1ccccc1SC 2230a_100000744766_100000699184 [0,1,1,0,0,0|1,0,0]=3 1840 B15R1.2621 C#CCN(CC)Cc1ccccc1SC 269982a_100000744766_100000699184 [0,1,1,0,0,0|1,0,0]=3 1841 B15R1.2621 C#CCN(CC)Cc1ccccc1SC 270004a_100000744766_100011217347 [0,1,1,0,0,0|1,0,0]=3 1842 B15R1.2621 C#CCN(CC)Cc1cccnc1OC 2230a_100000744766_100020631285 [0,1,1,0,0,0|2,0,0]=4 1843 B15R1.2621 C#CCN(CC)Cc1cccnc1OC 270004a_100000744766_100011290804 [0,1,1,0,0,0|2,0,0]=4 1844 B15R1.2621 C#CCN(CC)Cc1ccncc1OC 2230a_100000744766_100020635607 [0,1,1,0,0,0|2,0,0]=4 1845 B15R1.2621 C#CCN(CC)Cc1ccncc1OC 270004a_100000744766_100011361505 [0,1,1,0,0,0|2,0,0]=4 1846 B15R1.2621 C#CCN(CC)Cc1cnccc1OC 270004a_100000744766_200011997045 [0,1,1,0,0,0|2,0,0]=4 1847 B15R1.2621 C#CCN(CC)Cc1ncccc1OC 270004a_100000744766_100011912573 [0,1,1,0,0,0|2,0,0]=4 1848 B15R1.2621 CCCN(CC)Cc1ccccc1CC 270004a_100000226822_100011219594 [0,1,1,0,0,0|0,0,2]=4 1849 B15R1.2621 CCc1ccccc1CN(CC)CCO 270004a_100000210973_100011219594 [0,1,1,0,0,0|1,0,1]=4 1850 B15R1.3880 C#CCC(=O)Cc1ccccc1OCC 1458a_100011247627_100000184674 [0,1,1,0,0,0|2,0,0]=4 1851 B15R1.3880 C#CCN(C)Cc1ccccc1CC#N 2230a_100000225692_100010402002 [0,1,1,0,0,0|0,0,1]=3 1852 B15R1.3880 C#CCN(C)Cc1ccccc1CC=C 26a_100000225692_100000211836 [0,1,1,0,0,0|0,0,1]=3 1853 B15R1.3880 C#CCN(C)Cc1ccccc1CC=C 270004a_100000225692_100010619294 [0,1,1,0,0,0|0,0,1]=3 1854 B15R1.3880 C#CCN(C)Cc1ccccc1CCBr 26a_100000225692_100000722297 [0,1,1,0,0,0|0,0,0]=2 1855 B15R1.3880 C#CCN(C)Cc1ccccc1CCC 26a_100000225692_100011217252 [0,1,1,0,0,0|0,0,0]=2 1856 B15R1.3880 C#CCN(C)Cc1ccccc1OCC 2230a_100000742257_100000038162 [0,1,1,0,0,0|0,0,0]=2 1857 B15R1.3880 C#CCN(C)Cc1ccccc1OCC 270004a_100000225692_100000169843 [0,1,1,0,0,0|0,0,0]=2 1858 B15R1.3880 C#CCN(C)Cc1cccnc1OCC 270004a_100000225692_100011290805 [0,1,1,0,0,0|1,0,0]=3 1859 B15R1.3880 C#CCN(C)Cc1cnccc1OCC 270004a_100000225692_200011935332 [0,1,1,0,0,0|1,0,0]=3 1860 B15R1.3880 C#CCN(C)Cc1ncccc1OCC 270004a_100000225692_100009876934 [0,1,1,0,0,0|1,0,0]=3 1861 B15R1.3880 C=CCN(C)Cc1ccccc1CCBr 26a_100000225617_100000722297 [0,1,1,0,0,0|0,0,2]=4 1862 B15R1.3880 C=CCN(C)Cc1ccccc1CCC 26a_100000225617_100011217252 [0,1,1,0,0,0|0,0,2]=4 1863 B15R1.3880 C=CCN(C)Cc1ccccc1OCC 2230a_100000742257_100000210623 [0,1,1,0,0,0|0,0,2]=4 1864 B15R1.3880 C=CCN(C)Cc1ccccc1OCC 2230a_100015184643_200000210301 [0,1,1,0,0,0|0,0,2]=4 1865 B15R1.3880 C=CCN(C)Cc1ccccc1OCC 269982a_100000742257_100000210623 [0,1,1,0,0,0|0,0,2]=4 1866 B15R1.3880 C=CCN(C)Cc1ccccc1OCC 269982a_100015184643_200000210301 [0,1,1,0,0,0|0,0,2]=4 1867 B15R1.3880 C=CCN(C)Cc1ccccc1OCC 270004a_100000225617_100000169843 [0,1,1,0,0,0|0,0,2]=4 1868 B15R1.3880 C=CCN([13CH3])Cc1ccccc1OCC 2230a_100015184643_200025704644 [0,1,1,0,0,0|0,0,2]=4 1869 B15R1.3880 C=CCN([13CH3])Cc1ccccc1OCC 269982a_100015184643_200025704644 [0,1,1,0,0,0|0,0,2]=4 1870 B15R1.3880 C=CCc1ccccc1CN(C)CC#N 26a_100000748184_100000211836 [0,1,1,0,0,0|1,0,1]=4 1871 B15R1.3880 CCCN(C)Cc1ccccc1CCBr 26a_100000747261_100000722297 [0,1,1,0,0,0|0,0,2]=4 1872 B15R1.3880 CCCN(C)Cc1ccccc1OCC 2230a_100000742257_100000210303 [0,1,1,0,0,0|0,0,2]=4 1873 B15R1.3880 CCCN(C)Cc1ccccc1OCC 2230a_100015185883_200000210301 [0,1,1,0,0,0|0,0,2]=4 1874 B15R1.3880 CCCN(C)Cc1ccccc1OCC 269982a_100000742257_100000210303 [0,1,1,0,0,0|0,0,2]=4 1875 B15R1.3880 CCCN(C)Cc1ccccc1OCC 269982a_100015185883_200000210301 [0,1,1,0,0,0|0,0,2]=4 1876 B15R1.3880 CCCN(C)Cc1ccccc1OCC 270004a_100000747261_100000169843 [0,1,1,0,0,0|0,0,2]=4 1877 B15R1.3880 CCCN([13CH3])Cc1ccccc1OCC 2230a_100015185883_200025704644 [0,1,1,0,0,0|0,0,2]=4 1878 B15R1.3880 CCCN([13CH3])Cc1ccccc1OCC 269982a_100015185883_200025704644 [0,1,1,0,0,0|0,0,2]=4 1879 B15R1.3880 CCCc1ccccc1CN(C)CC#N 26a_100000748184_100011217252 [0,1,1,0,0,0|1,0,0]=3 1880 B15R1.3880 CCCc1ccccc1CN(C)CCC 26a_100000747261_100011217252 [0,1,1,0,0,0|0,0,2]=4 1881 B15R1.3880 CCCc1ccccc1CN(C)CCO 26a_100000210263_100011217252 [0,1,1,0,0,0|1,0,1]=4 1882 B15R1.3880 CCOc1ccccc1CN(C)CC#N 2230a_100000742257_100011215382 [0,1,1,0,0,0|1,0,0]=3 1883 B15R1.3880 CCOc1ccccc1CN(C)CC#N 269982a_100000742257_100011214920 [0,1,1,0,0,0|1,0,0]=3 1884 B15R1.3880 CCOc1ccccc1CN(C)CC=O 2230a_100000742257_200015260668 [0,1,1,0,0,0|1,0,1]=4 1885 B15R1.3880 CCOc1ccccc1CN(C)CC=O 269982a_100000742257_200015260668 [0,1,1,0,0,0|1,0,1]=4 1886 B15R1.3880 CCOc1ccccc1CN(C)CCF 2230a_100000742257_100011217306 [0,1,1,0,0,0|1,0,1]=4 1887 B15R1.3880 CCOc1ccccc1CN(C)CCF 269982a_100000742257_100011217306 [0,1,1,0,0,0|1,0,1]=4 1888 B15R1.3880 CCOc1ccccc1CN(C)CCO 2230a_100000742257_100000211926 [0,1,1,0,0,0|1,0,1]=4 1889 B15R1.3880 CCOc1ccccc1CN(C)CCO 2230a_100015187860_200000210301 [0,1,1,0,0,0|1,0,1]=4 1890 B15R1.3880 CCOc1ccccc1CN(C)CCO 269982a_100000742257_100000211926 [0,1,1,0,0,0|1,0,1]=4 1891 B15R1.3880 CCOc1ccccc1CN(C)CCO 269982a_100015187860_200000210301 [0,1,1,0,0,0|1,0,1]=4 1892 B15R1.3880 CCOc1ccccc1CN(C)CCO 270004a_100000210263_100000169843 [0,1,1,0,0,0|1,0,1]=4 1893 B15R1.3880 CCOc1ccccc1CN(C)COC 2230a_100000742257_100000766300 [0,1,1,0,0,0|1,0,1]=4 1894 B15R1.3880 CCOc1ccccc1CN(C)COC 269982a_100000742257_100000766300 [0,1,1,0,0,0|1,0,1]=4 1895 B15R1.3880 CCOc1ccccc1CN(C)CSC 2230a_100000742257_100011218213 [0,1,1,0,0,0|1,0,1]=4 1896 B15R1.3880 CCOc1ccccc1CN(C)CSC 269982a_100000742257_100011218213 [0,1,1,0,0,0|1,0,1]=4 1897 B15R1.3880 CCOc1ccccc1CN([13CH3])CCO 2230a_100015187860_200025704644 [0,1,1,0,0,0|1,0,1]=4 1898 B15R1.3880 CCOc1ccccc1CN([13CH3])CCO 269982a_100015187860_200025704644 [0,1,1,0,0,0|1,0,1]=4 1899 B15R1.3880 CN(CC#N)Cc1ccccc1CC#N 2230a_100000748184_100010402002 [0,1,1,0,0,0|1,0,1]=4 1900 B15R1.3880 CN(CC#N)Cc1ccccc1CCBr 26a_100000748184_100000722297 [0,1,1,0,0,0|1,0,0]=3 1901 B15R1.3880 CN(CCO)Cc1ccccc1CCBr 26a_100000210263_100000722297 [0,1,1,0,0,0|1,0,1]=4 1902 B15R1.3954 C#CCN(C)C(=O)c1ccccc1CC 11a_100000225692_100000689120 [0,1,1,0,0,0|0,0,1]=3 1903 B15R1.3954 C#CCN(C)C(=O)c1ccccc1CC 1626a_100000225692_100000689120 [0,1,1,0,0,0|0,0,1]=3 1904 B15R1.3954 C#CCN(C)C(=O)c1ccccc1CC 527a_100000225692_100000689120 [0,1,1,0,0,0|0,0,1]=3 1905 B15R1.3954 C#CCN(C)C(=O)c1ccccc1OC 11a_100000225692_100000185835 [0,1,1,0,0,0|1,0,1]=4 1906 B15R1.3954 C#CCN(C)C(=O)c1ccccc1OC 1626a_100000225692_100000185835 [0,1,1,0,0,0|1,0,1]=4 1907 B15R1.3954 C#CCN(C)C(=O)c1ccccc1OC 527a_100000225692_100000185835 [0,1,1,0,0,0|1,0,1]=4 1908 B15R1.3954 C#CCN(C)C(=O)c1ccccc1SC 11a_100000225692_100000183967 [0,1,1,0,0,0|1,0,1]=4 1909 B15R1.3954 C#CCN(C)C(=O)c1ccccc1SC 1626a_100000225692_100000183967 [0,1,1,0,0,0|1,0,1]=4 1910 B15R1.3954 C#CCN(C)C(=O)c1ccccc1SC 527a_100000225692_100000183967 [0,1,1,0,0,0|1,0,1]=4 1911 B15R1.3954 C#CCN(C)C(C)c1ccccc1OC 2230a_100015187102_100000038162 [0,1,1,0,0,0|1,0,0]=3 1912 B15R1.3954 CCc1ccccc1C(=O)N(C)CC#N 11a_100000748184_100000689120 [0,1,1,0,0,0|1,0,1]=4 1913 B15R1.3954 CCc1ccccc1C(=O)N(C)CC#N 1626a_100000748184_100000689120 [0,1,1,0,0,0|1,0,1]=4 1914 B15R1.3954 COc1ccccc1C(C)N(C)CC#N 2230a_100015187102_100011215382 [0,1,1,0,0,0|2,0,0]=4 1915 B15R1.3954 COc1ccccc1C(C)N(C)CC#N 269982a_100015187102_100011214920 [0,1,1,0,0,0|2,0,0]=4 1916 B15R1.5925 C#CCCN(C)Cc1ccccc1C#N 2230a_100000225633_100000688953 [0,1,1,0,0,0|1,0,1]=4 1917 B15R1.5925 C#CCCN(C)Cc1ccccc1C#N 269982a_100000225633_100000730999 [0,1,1,0,0,0|1,0,1]=4 1918 B15R1.5925 C#CCCN(C)Cc1ccccc1CO 2230a_100000044721_100000688953 [0,1,1,0,0,0|1,0,0]=3 1919 B15R1.5925 C#CCCN(C)Cc1ccccc1CO 269982a_100000044721_100000730999 [0,1,1,0,0,0|1,0,0]=3 1920 B15R1.5925 C#CCCN(C)Cc1ccccc1OC 2230a_100000184376_100000688953 [0,1,1,0,0,0|1,0,0]=3 1921 B15R1.5925 C#CCCN(C)Cc1ccccc1OC 269982a_100000184376_100000730999 [0,1,1,0,0,0|1,0,0]=3 1922 B15R1.5925 C#CCOC(C)Cc1ccccc1OC 7a_100000691916_100000038162 [0,1,1,0,0,0|2,0,0]=4 1923 B15R1.5925 C=CCCN(C)Cc1ccccc1CC 270004a_100020639649_100011219594 [0,1,1,0,0,0|0,0,2]=4 1924 B15R1.5925 CC#CCN(C)Cc1ccccc1C#N 2230a_100000225633_100000748600 [0,1,1,0,0,0|1,0,1]=4 1925 B15R1.5925 CC#CCN(C)Cc1ccccc1CO 2230a_100000044721_100000748600 [0,1,1,0,0,0|1,0,0]=3 1926 B15R1.5925 CC#CCN(C)Cc1ccccc1OC 2230a_100000184376_100000748600 [0,1,1,0,0,0|1,0,0]=3 1927 B15R1.5925 CCCCN(C)Cc1ccccc1CC 270004a_100000207549_100011219594 [0,1,1,0,0,0|0,0,2]=4 1928 B15R1.5925 CCc1ccccc1CN(C)CCC#N 270004a_100000184479_100011219594 [0,1,1,0,0,0|0,0,1]=3 1929 B15R1.5925 CCc1ccccc1CN(C)CCCO 270004a_100000213112_100011219594 [0,1,1,0,0,0|0,0,2]=4 1930 B15R1.5925 CCc1ccccc1CN(C)CCOC 270004a_100000743101_100011219594 [0,1,1,0,0,0|0,0,2]=4 1931 B15R1.5925 CCc1ccccc1CN(C)CCSC 270004a_100000686725_100011219594 [0,1,1,0,0,0|0,0,2]=4 1932 B15R1.5925 CN(CCC#N)Cc1ccccc1CO 2230a_100000044721_100011215226 [0,1,1,0,0,0|1,0,1]=4 1933 B15R1.5925 CN(CCC#N)Cc1ccccc1CO 2230a_100000184479_100009816955 [0,1,1,0,0,0|1,0,1]=4 1934 B15R1.5925 CN(CCC#N)Cc1ccccc1CO 269982a_100000044721_100011215226 [0,1,1,0,0,0|1,0,1]=4 1935 B15R1.5925 CN(CSC#N)Cc1ccccc1CO 269982a_100000044721_100000211825 [0,1,1,0,0,0|2,0,0]=4 1936 B15R1.5925 COc1ccccc1CN(C)CCC#N 2230a_100000184376_100011215226 [0,1,1,0,0,0|1,0,1]=4 1937 B15R1.5925 COc1ccccc1CN(C)CCC#N 2230a_100000184479_100000210004 [0,1,1,0,0,0|1,0,1]=4 1938 B15R1.5925 COc1ccccc1CN(C)CCC#N 269982a_100000184376_100011215226 [0,1,1,0,0,0|1,0,1]=4 1939 B15R1.5925 COc1ccccc1CN(C)CCC#N 270004a_100000184479_100000169842 [0,1,1,0,0,0|1,0,1]=4 1940 B15R1.5925 COc1ccccc1CN(C)CSC#N 269982a_100000184376_100000211825 [0,1,1,0,0,0|2,0,0]=4 1941 B15R1.5925 CSc1ccccc1CN(C)CCC#N 2230a_100000184479_100000699184 [0,1,1,0,0,0|1,0,1]=4 1942 B15R1.5925 CSc1ccccc1CN(C)CCC#N 270004a_100000184479_100011217347 [0,1,1,0,0,0|1,0,1]=4 1943 B15R1.9725 C#CCN(C)Cc1ccc(cc1C#N)Br 2230a_100000225692_100000687761 [0,1,1,0,0,0|1,0,1]=4 1944 B15R1.9725 C#CCN(C)Cc1ccc(cc1C#N)Br 26a_100000225692_100000687585 [0,1,1,0,0,0|1,0,1]=4 1945 B15R1.9725 C#CCN(C)Cc1ccc(cc1C#N)Br 34a_100000225692_100000687761 [0,1,1,0,0,0|1,0,1]=4 1946 B15R1.9725 C#CCN(C)Cc1ccc(cc1C#N)Cl 2230a_100000225692_100000702095 [0,1,1,0,0,0|1,0,1]=4 1947 B15R1.9725 C#CCN(C)Cc1ccc(cc1C#N)Cl 34a_100000225692_100000702095 [0,1,1,0,0,0|1,0,1]=4 1948 B15R1.9725 C#CCN(C)Cc1ccc(cc1C#N)F 2230a_100000225692_100000751460 [0,1,1,0,0,0|1,0,1]=4 1949 B15R1.9725 C#CCN(C)Cc1ccc(cc1C#N)F 34a_100000225692_100000751460 [0,1,1,0,0,0|1,0,1]=4 1950 B15R1.9725 C#CCN(C)Cc1ccc(cc1C=O)F 2230a_100000225692_100010132769 [0,1,1,0,0,0|1,0,1]=4 1951 B15R1.9725 C#CCN(C)Cc1ccc(cc1C=O)F 34a_100000225692_100010132769 [0,1,1,0,0,0|1,0,1]=4 1952 B15R1.9725 C#CCN(C)Cc1ccc(cc1CBr)F 26a_100000225692_100010161318 [0,1,1,0,0,0|1,0,0]=3 1953 B15R1.9725 C#CCN(C)Cc1ccc(cc1CC)Br 26a_100000225692_100012338938 [0,1,1,0,0,0|0,0,0]=2 1954 B15R1.9725 C#CCN(C)Cc1ccc(cc1CC)Br 270004a_100000225692_100010209654 [0,1,1,0,0,0|0,0,0]=2 1955 B15R1.9725 C#CCN(C)Cc1ccc(cc1CO)Br 26a_100000225692_100000184703 [0,1,1,0,0,0|1,0,0]=3 1956 B15R1.9725 C#CCN(C)Cc1ccc(cc1OC)Br 2230a_100000225692_100012359436 [0,1,1,0,0,0|1,0,0]=3 1957 B15R1.9725 C#CCN(C)Cc1ccc(cc1OC)Br 26a_100000225692_100000694246 [0,1,1,0,0,0|1,0,0]=3 1958 B15R1.9725 C#CCN(C)Cc1ccc(cc1OC)Br 270004a_100000225692_100000697075 [0,1,1,0,0,0|1,0,0]=3 1959 B15R1.9725 C#CCN(C)Cc1ccc(cc1OC)Br 34a_100000225692_100012359436 [0,1,1,0,0,0|1,0,0]=3 1960 B15R1.9725 C#CCN(C)Cc1ccc(cc1OC)C 270004a_100000225692_100000689369 [0,1,1,0,0,0|1,0,0]=3 1961 B15R1.9725 C#CCN(C)Cc1ccc(cc1OC)Cl 270004a_100000225692_100000235374 [0,1,1,0,0,0|1,0,0]=3 1962 B15R1.9725 C#CCN(C)Cc1ccc(cc1OC)F 2230a_100000225692_200010171551 [0,1,1,0,0,0|1,0,0]=3 1963 B15R1.9725 C#CCN(C)Cc1ccc(cc1OC)F 270004a_100000225692_100000042785 [0,1,1,0,0,0|1,0,0]=3 1964 B15R1.9725 C#CCN(C)Cc1ccc(cc1OC)F 34a_100000225692_200010171551 [0,1,1,0,0,0|1,0,0]=3 1965 B15R1.9725 C#CCN(C)Cc1ccc(nc1OC)Br 2230a_100000225692_100016029037 [0,1,1,0,0,0|2,0,0]=4 1966 B15R1.9725 C#CCN(C)Cc1ccc(nc1OC)Br 34a_100000225692_100016029037 [0,1,1,0,0,0|2,0,0]=4 1967 B15R1.9725 C#CCN(C)Cc1ncc(cc1OC)Br 270004a_100000225692_100010246152 [0,1,1,0,0,0|2,0,0]=4 1968 B15R1.9725 C=CCN(C)Cc1ccc(cc1CC)Br 26a_100000225617_100012338938 [0,1,1,0,0,0|0,0,2]=4 1969 B15R1.9725 C=CCN(C)Cc1ccc(cc1CC)Br 270004a_100000225617_100010209654 [0,1,1,0,0,0|0,0,2]=4 1970 B15R1.9725 CCCN(C)Cc1ccc(cc1CC)Br 26a_100000747261_100012338938 [0,1,1,0,0,0|0,0,2]=4 1971 B15R1.9725 CCCN(C)Cc1ccc(cc1CC)Br 270004a_100000747261_100010209654 [0,1,1,0,0,0|0,0,2]=4 1972 B15R1.9725 CCc1cc(ccc1CN(C)CC#N)Br 26a_100000748184_100012338938 [0,1,1,0,0,0|1,0,0]=3 1973 B15R1.9725 CCc1cc(ccc1CN(C)CCO)Br 26a_100000210263_100012338938 [0,1,1,0,0,0|1,0,1]=4 1974 B15R1.9725 CCc1cc(ccc1CN(C)CCO)Br 270004a_100000210263_100010209654 [0,1,1,0,0,0|1,0,1]=4 1975 B15R1.9725 CN(CC#N)Cc1ccc(cc1CBr)F 26a_100000748184_100010161318 [0,1,1,0,0,0|2,0,0]=4 1976 B15R1.9725 CN(CC#N)Cc1ccc(cc1CO)Br 26a_100000748184_100000184703 [0,1,1,0,0,0|2,0,0]=4 1977 B15R1.9725 COc1cc(ccc1CN(C)CC#N)Br 2230a_100000748184_100012359436 [0,1,1,0,0,0|2,0,0]=4 1978 B15R1.9725 COc1cc(ccc1CN(C)CC#N)Br 26a_100000748184_100000694246 [0,1,1,0,0,0|2,0,0]=4 1979 B15R1.9725 COc1cc(ccc1CN(C)CC#N)F 2230a_100000748184_200010171551 [0,1,1,0,0,0|2,0,0]=4 1980 B15R1.29 C#CCC(=O)C(C)c1cccc(c1C)C 1458a_100011220946_100012183177 [0,1,1,0,0,0|2,0,0]=4 1981 B15R1.29 C#CCN(C)C(=O)c1cccc(c1C)Br 11a_100000225692_100000760464 [0,1,1,0,0,0|1,0,1]=4 1982 B15R1.29 C#CCN(C)C(=O)c1cccc(c1C)Br 1626a_100000225692_100000760464 [0,1,1,0,0,0|1,0,1]=4 1983 B15R1.29 C#CCN(C)C(=O)c1cccc(c1C)Br 527a_100000225692_100000760464 [0,1,1,0,0,0|1,0,1]=4 1984 B15R1.29 C#CCN(C)C(=O)c1cccc(c1C)C 11a_100000225692_100000183679 [0,1,1,0,0,0|1,0,1]=4 1985 B15R1.29 C#CCN(C)C(=O)c1cccc(c1C)C 1626a_100000225692_100000183679 [0,1,1,0,0,0|1,0,1]=4 1986 B15R1.29 C#CCN(C)C(=O)c1cccc(c1C)C 527a_100000225692_100000183679 [0,1,1,0,0,0|1,0,1]=4 1987 B15R1.29 C#CCN(C)C(=O)c1cccc(c1C)Cl 11a_100000225692_100000690184 [0,1,1,0,0,0|1,0,1]=4 1988 B15R1.29 C#CCN(C)C(=O)c1cccc(c1C)Cl 1626a_100000225692_100000690184 [0,1,1,0,0,0|1,0,1]=4 1989 B15R1.29 C#CCN(C)C(=O)c1cccc(c1C)Cl 527a_100000225692_100000690184 [0,1,1,0,0,0|1,0,1]=4 1990 B15R1.29 C#CCN(C)C(=O)c1cccc(c1C)F 11a_100000225692_100011218272 [0,1,1,0,0,0|1,0,1]=4 1991 B15R1.29 C#CCN(C)C(=O)c1cccc(c1C)F 1626a_100000225692_100011218272 [0,1,1,0,0,0|1,0,1]=4 1992 B15R1.29 C#CCN(C)C(=O)c1cccc(c1C)F 527a_100000225692_100011218272 [0,1,1,0,0,0|1,0,1]=4 1993 B15R1.29 C#CCN(C)C(=O)c1cccc(c1C)I 11a_100000225692_100000751865 [0,1,1,0,0,0|1,0,1]=4 1994 B15R1.29 C#CCN(C)C(=O)c1cccc(c1C)I 1626a_100000225692_100000751865 [0,1,1,0,0,0|1,0,1]=4 1995 B15R1.29 C#CCN(C)C(=O)c1cccc(c1C)I 527a_100000225692_100000751865 [0,1,1,0,0,0|1,0,1]=4 1996 B15R1.29 C#CCN(C)C(=O)c1cccc(c1C)O 527a_100000225692_100000766327 [0,1,1,0,0,0|1,0,1]=4 1997 B15R1.29 C#CCN(C)C(C)c1cccc(c1C)C 2230a_100000225692_100012183177 [0,1,1,0,0,0|0,0,0]=2 1998 B15R1.29 C#CCN(C)C(C)c1cccc(c1C)C 34a_100000225692_100012183177 [0,1,1,0,0,0|0,0,0]=2 1999 B15R1.29 C=CCN(C)C(C)c1cccc(c1C)C 2230a_100000225617_100012183177 [0,1,1,0,0,0|0,0,2]=4 2000 B15R1.29 C=CCN(C)C(C)c1cccc(c1C)C 269982a_100000225617_100012183177 [0,1,1,0,0,0|0,0,2]=4 2001 B15R1.29 CCCN(C)C(C)c1cccc(c1C)C 2230a_100000747261_100012183177 [0,1,1,0,0,0|0,0,2]=4 2002 B15R1.29 CCCN(C)C(C)c1cccc(c1C)C 269982a_100000747261_100012183177 [0,1,1,0,0,0|0,0,2]=4 2003 B15R1.29 Cc1cccc(c1C)C(C)N(C)CC#N 2230a_100000748184_100012183177 [0,1,1,0,0,0|1,0,0]=3 2004 B15R1.29 Cc1cccc(c1C)C(C)N(C)CCO 2230a_100000210263_100012183177 [0,1,1,0,0,0|1,0,1]=4 2005 B15R1.29 Cc1cccc(c1C)C(C)N(C)CCO 269982a_100000210263_100012183177 [0,1,1,0,0,0|1,0,1]=4 2006 B15R1.3937 C#CCN(C)C(=O)c1cc(ccc1C)Br 11a_100000225692_100000759961 [0,1,1,0,0,0|1,0,1]=4 2007 B15R1.3937 C#CCN(C)C(=O)c1cc(ccc1C)Br 1626a_100000225692_100000759961 [0,1,1,0,0,0|1,0,1]=4 2008 B15R1.3937 C#CCN(C)C(=O)c1cc(ccc1C)Br 527a_100000225692_100000759961 [0,1,1,0,0,0|1,0,1]=4 2009 B15R1.3937 C#CCN(C)C(=O)c1cc(ccc1C)C 11a_100000225692_100000195421 [0,1,1,0,0,0|1,0,1]=4 2010 B15R1.3937 C#CCN(C)C(=O)c1cc(ccc1C)C 1626a_100000225692_100000195421 [0,1,1,0,0,0|1,0,1]=4 2011 B15R1.3937 C#CCN(C)C(=O)c1cc(ccc1C)C 527a_100000225692_100000195421 [0,1,1,0,0,0|1,0,1]=4 2012 B15R1.3937 C#CCN(C)C(=O)c1cc(ccc1C)Cl 11a_100000225692_100000692595 [0,1,1,0,0,0|1,0,1]=4 2013 B15R1.3937 C#CCN(C)C(=O)c1cc(ccc1C)Cl 1626a_100000225692_100000692595 [0,1,1,0,0,0|1,0,1]=4 2014 B15R1.3937 C#CCN(C)C(=O)c1cc(ccc1C)Cl 527a_100000225692_100000692595 [0,1,1,0,0,0|1,0,1]=4 2015 B15R1.3937 C#CCN(C)C(=O)c1cc(ccc1C)F 11a_100000225692_100000240043 [0,1,1,0,0,0|1,0,1]=4 2016 B15R1.3937 C#CCN(C)C(=O)c1cc(ccc1C)F 1626a_100000225692_100000240043 [0,1,1,0,0,0|1,0,1]=4 2017 B15R1.3937 C#CCN(C)C(=O)c1cc(ccc1C)F 527a_100000225692_100000240043 [0,1,1,0,0,0|1,0,1]=4 2018 B15R1.3937 C#CCN(C)C(=O)c1cc(ccc1C)I 11a_100000225692_100000688012 [0,1,1,0,0,0|1,0,1]=4 2019 B15R1.3937 C#CCN(C)C(=O)c1cc(ccc1C)I 1626a_100000225692_100000688012 [0,1,1,0,0,0|1,0,1]=4 2020 B15R1.3937 C#CCN(C)C(=O)c1cc(ccc1C)I 527a_100000225692_100000688012 [0,1,1,0,0,0|1,0,1]=4 2021 B15R1.4434 C#CC(C)N(C)C(C)c1ccccc1F 34a_100000231110_200000035995 [0,1,1,0,0,0|1,0,0]=3 2022 B15R1.4434 CC(C#N)N(C)C(C)c1ccccc1Br 2230a_100000692418_100000184139 [0,1,1,0,0,0|2,0,0]=4 2023 B15R1.4434 CC(C#N)N(C)C(C)c1ccccc1Br 269982a_100000692418_100000703298 [0,1,1,0,0,0|2,0,0]=4 2024 B15R1.4434 CC(C#N)N(C)C(C)c1ccccc1F 2230a_100000231110_100000184139 [0,1,1,0,0,0|2,0,0]=4 2025 B15R1.4434 CC(C#N)N(C)C(C)c1ccccc1F 269982a_100000231110_100000703298 [0,1,1,0,0,0|2,0,0]=4 2026 B15R1.5837 C#CCCN(C)C(C)c1ccccc1Br 2230a_100000692418_100000688953 [0,1,1,0,0,0|1,0,0]=3 2027 B15R1.5837 C#CCCN(C)C(C)c1ccccc1Br 269982a_100000692418_100000730999 [0,1,1,0,0,0|1,0,0]=3 2028 B15R1.5837 C#CCCN(C)C(C)c1ccccc1F 2230a_100000231110_100000688953 [0,1,1,0,0,0|1,0,0]=3 2029 B15R1.5837 C#CCCN(C)C(C)c1ccccc1F 269982a_100000231110_100000730999 [0,1,1,0,0,0|1,0,0]=3 2030 B15R1.5837 C#CCCN(C)C(C)c1ccccc1F 34a_100000231110_100000688953 [0,1,1,0,0,0|1,0,0]=3 2031 B15R1.5837 CC#CCN(C)C(C)c1ccccc1Br 2230a_100000692418_100000748600 [0,1,1,0,0,0|1,0,0]=3 2032 B15R1.5837 CC#CCN(C)C(C)c1ccccc1F 2230a_100000231110_100000748600 [0,1,1,0,0,0|1,0,0]=3 2033 B15R1.5837 CC#CCN(C)C(C)c1ccccc1F 34a_100000231110_100000748600 [0,1,1,0,0,0|1,0,0]=3 2034 B15R1.5837 CC(c1ccccc1Br)N(C)CCC#N 2230a_100000692418_100011215226 [0,1,1,0,0,0|1,0,1]=4 2035 B15R1.5837 CC(c1ccccc1Br)N(C)CCC#N 269982a_100000692418_100011215226 [0,1,1,0,0,0|1,0,1]=4 2036 B15R1.5837 CC(c1ccccc1Br)N(C)CSC#N 269982a_100000692418_100000211825 [0,1,1,0,0,0|2,0,0]=4 2037 B15R1.5837 CC(c1ccccc1Cl)N(C)CCC#N 2230a_100000184479_100000181259 [0,1,1,0,0,0|1,0,1]=4 2038 B15R1.5837 CC(c1ccccc1F)N(C)CCC#N 2230a_100000184479_200000741388 [0,1,1,0,0,0|1,0,1]=4 2039 B15R1.5837 CC(c1ccccc1F)N(C)CCC#N 2230a_100000231110_100011215226 [0,1,1,0,0,0|1,0,1]=4 2040 B15R1.5837 CC(c1ccccc1F)N(C)CCC#N 269982a_100000231110_100011215226 [0,1,1,0,0,0|1,0,1]=4 2041 B15R1.5837 CC(c1ccccc1F)N(C)CSC#N 269982a_100000231110_100000211825 [0,1,1,0,0,0|2,0,0]=4 2042 B15R1.9502 C#CCN(CC)C(=O)c1ccccc1C 11a_100000744766_100000212026 [0,1,1,0,0,0|1,0,1]=4 2043 B15R1.9502 C#CCN(CC)C(=O)c1ccccc1C 1626a_100000744766_100000212026 [0,1,1,0,0,0|1,0,1]=4 2044 B15R1.9502 C#CCN(CC)C(=O)c1ccccc1C 240690a_100000744766_100000212026 [0,1,1,0,0,0|1,0,1]=4 2045 B15R1.9502 C#CCN(CC)C(=O)c1ccccc1C 527a_100000744766_100000212026 [0,1,1,0,0,0|1,0,1]=4 2046 B15R1.9502 C#CCN(CC)C(C)c1ccccc1Br 2230a_100160470769_100000210202 [0,1,1,0,0,0|1,0,0]=3 2047 B15R1.9502 C#CCN(CC)C(C)c1ccccc1Br 269982a_100160470769_100000204670 [0,1,1,0,0,0|1,0,0]=3 2048 B15R1.9502 C#CCN(CC)C(C)c1ccccc1Br 34a_100160470769_100000210202 [0,1,1,0,0,0|1,0,0]=3 2049 B15R1.9502 C#CCN(CC)C(C)c1ccccc1Cl 2230a_100000744766_100000181259 [0,1,1,0,0,0|1,0,0]=3 2050 B15R1.9502 C#CCN(CC)C(C)c1ccccc1Cl 269982a_100000744766_100000181259 [0,1,1,0,0,0|1,0,0]=3 2051 B15R1.9502 C#CCN(CC)C(C)c1ccccc1F 2230a_100000744766_200000741388 [0,1,1,0,0,0|1,0,0]=3 2052 B15R1.9502 C#CCN(CC)C(C)c1ccccc1F 2230a_100160470640_100000210202 [0,1,1,0,0,0|1,0,0]=3 2053 B15R1.9502 C#CCN(CC)C(C)c1ccccc1F 269982a_100000744766_200000741388 [0,1,1,0,0,0|1,0,0]=3 2054 B15R1.9502 C#CCN(CC)C(C)c1ccccc1F 269982a_100160470640_100000204670 [0,1,1,0,0,0|1,0,0]=3 2055 B15R1.9502 C#CCN(CC)C(C)c1ccccc1F 34a_100160470640_100000210202 [0,1,1,0,0,0|1,0,0]=3 2056 B15R1.9502 C#CCN(CF)C(C)c1ccccc1Br 269982a_100160470769_100015361967 [0,1,1,0,0,0|1,0,0]=3 2057 B15R1.9502 C#CCN(CF)C(C)c1ccccc1Br 34a_100160470769_100015361967 [0,1,1,0,0,0|1,0,0]=3 2058 B15R1.9502 C#CCN(CF)C(C)c1ccccc1F 269982a_100160470640_100015361967 [0,1,1,0,0,0|1,0,0]=3 2059 B15R1.9502 C#CCN(CF)C(C)c1ccccc1F 34a_100160470640_100015361967 [0,1,1,0,0,0|1,0,0]=3 2060 B15R1.9806 C#CCN(C)C(F)(F)c1ccccc1F 2230a_100000225692_100000070671 [0,1,1,0,0,0|2,0,0]=4 2061 B15R1.9806 C#CCN(C)C(F)(F)c1ccccc1F 34a_100000225692_100000070671 [0,1,1,0,0,0|2,0,0]=4 2062 B15R1.9806 C#CCN(C)S(=O)(=O)c1ccccc1C 274078a_100000225692_100000750907 [0,1,1,0,0,0|2,0,0]=4 2063 B15R1.9806 C#CCN(C)S(=O)(=O)c1ccccc1C 40a_100000225692_100010269479 [0,1,1,0,0,0|2,0,0]=4 2064 B15R1.16836 C#CCN(C)C(=O)c1ccc(cc1C)Br 11a_100000225692_100000741311 [0,1,1,0,0,0|1,0,1]=4 2065 B15R1.16836 C#CCN(C)C(=O)c1ccc(cc1C)Br 1626a_100000225692_100000741311 [0,1,1,0,0,0|1,0,1]=4 2066 B15R1.16836 C#CCN(C)C(=O)c1ccc(cc1C)Br 527a_100000225692_100000741311 [0,1,1,0,0,0|1,0,1]=4 2067 B15R1.16836 C#CCN(C)C(=O)c1ccc(cc1C)C 11a_100000225692_100000211164 [0,1,1,0,0,0|1,0,1]=4 2068 B15R1.16836 C#CCN(C)C(=O)c1ccc(cc1C)C 1626a_100000225692_100000211164 [0,1,1,0,0,0|1,0,1]=4 2069 B15R1.16836 C#CCN(C)C(=O)c1ccc(cc1C)C 527a_100000225692_100000211164 [0,1,1,0,0,0|1,0,1]=4 2070 B15R1.16836 C#CCN(C)C(=O)c1ccc(cc1C)Cl 11a_100000225692_100000688705 [0,1,1,0,0,0|1,0,1]=4 2071 B15R1.16836 C#CCN(C)C(=O)c1ccc(cc1C)Cl 1626a_100000225692_100000688705 [0,1,1,0,0,0|1,0,1]=4 2072 B15R1.16836 C#CCN(C)C(=O)c1ccc(cc1C)Cl 527a_100000225692_100000688705 [0,1,1,0,0,0|1,0,1]=4 2073 B15R1.16836 C#CCN(C)C(=O)c1ccc(cc1C)F 11a_100000225692_100000686989 [0,1,1,0,0,0|1,0,1]=4 2074 B15R1.16836 C#CCN(C)C(=O)c1ccc(cc1C)F 1626a_100000225692_100000686989 [0,1,1,0,0,0|1,0,1]=4 2075 B15R1.16836 C#CCN(C)C(=O)c1ccc(cc1C)F 527a_100000225692_100000686989 [0,1,1,0,0,0|1,0,1]=4 2076 B15R1.16836 C#CCN(C)C(=O)c1ccc(cc1C)I 11a_100000225692_100010189873 [0,1,1,0,0,0|1,0,1]=4 2077 B15R1.16836 C#CCN(C)C(=O)c1ccc(cc1C)I 1626a_100000225692_100010189873 [0,1,1,0,0,0|1,0,1]=4 2078 B15R1.16836 C#CCN(C)C(=O)c1ccc(cc1C)I 527a_100000225692_100010189873 [0,1,1,0,0,0|1,0,1]=4 2079 B15R1.16836 C#CCN(C)C(=O)c1ccc(cc1C)O 527a_100000225692_100000692822 [0,1,1,0,0,0|1,0,1]=4 2080 B15R1.16836 C#CCN(C)C(C)c1ncc(cc1Br)Cl 270004a_100000225692_100010135484 [0,1,1,0,0,0|2,0,0]=4 2081 B15R1.16836 C#CCN(C)C(C)c1ncc(cc1Cl)Br 270004a_100000225692_100010136371 [0,1,1,0,0,0|2,0,0]=4 2082 B15R1.16836 C#CCN(C)C(C)c1ncc(cc1Cl)Cl 270004a_100000225692_100012184579 [0,1,1,0,0,0|2,0,0]=4 2083 B15R1.51699 C#CCN(C)C(=O)c1c(cccc1Br)C 11a_100000225692_100000701904 [0,1,1,0,0,0|1,0,1]=4 2084 B15R1.51699 C#CCN(C)C(=O)c1c(cccc1Br)C 1626a_100000225692_100000701904 [0,1,1,0,0,0|1,0,1]=4 2085 B15R1.51699 C#CCN(C)C(=O)c1c(cccc1Br)C 527a_100000225692_100000701904 [0,1,1,0,0,0|1,0,1]=4 2086 B15R1.51699 C#CCN(C)C(=O)c1c(cccc1C)C 11a_100000225692_100000758298 [0,1,1,0,0,0|1,0,1]=4 2087 B15R1.51699 C#CCN(C)C(=O)c1c(cccc1C)C 1626a_100000225692_100000758298 [0,1,1,0,0,0|1,0,1]=4 2088 B15R1.51699 C#CCN(C)C(=O)c1c(cccc1Cl)C 11a_100000225692_100000692601 [0,1,1,0,0,0|1,0,1]=4 2089 B15R1.51699 C#CCN(C)C(=O)c1c(cccc1Cl)C 1626a_100000225692_100000692601 [0,1,1,0,0,0|1,0,1]=4 2090 B15R1.51699 C#CCN(C)C(=O)c1c(cccc1F)C 11a_100000225692_100000762013 [0,1,1,0,0,0|1,0,1]=4 2091 B15R1.51699 C#CCN(C)C(=O)c1c(cccc1F)C 1626a_100000225692_100000762013 [0,1,1,0,0,0|1,0,1]=4 2092 B15R1.51699 C#CCN(C)C(=O)c1c(cccc1F)C 527a_100000225692_100000762013 [0,1,1,0,0,0|1,0,1]=4 2093 B15R1.51699 C#CCN(C)C(=O)c1c(cccc1I)C 11a_100000225692_100000688020 [0,1,1,0,0,0|1,0,1]=4 2094 B15R1.51699 C#CCN(C)C(=O)c1c(cccc1I)C 1626a_100000225692_100000688020 [0,1,1,0,0,0|1,0,1]=4 2095 B15R2.4 C#CC(C)NC1CCc2c1cccc2 2230a_100000707721_200000721974 [1,1,0,0,0,0|0,0,0]=2 2096 B15R2.4 C#CC(C)N[C@H]1CCc2c1cccc2 34a_100016989578_200000035995 [1,1,0,0,0,0|0,0,0]=2 2097 B15R2.4 C#CC(C)OC1CCc2c1cccc2 34a_100000212247_200000035995 [1,1,0,0,0,0|1,0,0]=3 2098 B15R2.4 C#CC(C)SC1CCc2c1cccc2 62a_200000035995_200000721974 [1,1,0,0,0,0|1,0,0]=3 2099 B15R2.4 CC(C#N)NC1CCc2c1cccc2 2230a_100000737613_200000721974 [1,1,0,0,0,0|1,0,0]=3 2100 B15R2.4 CC(C#N)NC1COc2c1cccc2 2230a_100000747519_100000184139 [1,1,0,0,0,0|2,0,0]=4 2101 B15R2.4 CC(C#N)N[C@H]1CCc2c1cccc2 2230a_100016989578_100000184139 [1,1,0,0,0,0|1,0,0]=3 2102 B15R2.4 CC(C#N)OC1CCc2c1cccc2 7a_100000212247_100000703298 [1,1,0,0,0,0|2,0,0]=4 2103 B15R2.4 CC(C#N)SC1CCc2c1cccc2 62a_100000703298_200000721974 [1,1,0,0,0,0|2,0,0]=4 2104 B15R2.4 CC(CO)N[C@H]1CCc2c1cccc2 2230a_100016989578_100012180447 [1,1,0,0,0,0|1,0,1]=4 2105 B15R2.4 CC(CO)N[C@H]1CCc2c1cccc2 34a_100016989578_100012180447 [1,1,0,0,0,0|1,0,1]=4 2106 B15R2.4 CCC(C)NC1CCc2c1cccc2 2230a_100000209981_200000721974 [1,1,0,0,0,0|0,0,2]=4 2107 B15R2.4 CCC(C)NC1CCc2c1cccc2 269862a_100000209981_100000212051 [1,1,0,0,0,0|0,0,2]=4 2108 B15R2.4 CCC(C)N[C@H]1CCc2c1cccc2 2230a_100016989578_100000758301 [1,1,0,0,0,0|0,0,2]=4 2109 B15R2.4 CCC(C)N[C@H]1CCc2c1cccc2 34a_100016989578_100011215416 [1,1,0,0,0,0|0,0,2]=4 2110 B15R2.4 C[C@H](CF)NC1CCc2c1cccc2 269862a_100102880703_100000212051 [1,1,0,0,0,0|1,0,1]=4 2111 B15R2.4 C[C@H](CO)NC1CCc2c1cccc2 2230a_100000737577_200000721974 [1,1,0,0,0,0|1,0,1]=4 2112 B15R2.4 C[C@H](CO)NC1CCc2c1cccc2 269862a_100000737577_100000212051 [1,1,0,0,0,0|1,0,1]=4 2113 B15R2.4 N#CC(F)SC1CCc2c1cccc2 62a_200000117898_200000721974 [1,1,0,0,0,0|2,0,0]=4 2114 B15R2.5 C#CCCNC1COc2c1cccc2 2230a_100000747519_100000688953 [1,1,0,0,0,0|1,0,0]=3 2115 B15R2.5 C#CCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000688953 [1,1,0,0,0,0|0,0,0]=2 2116 B15R2.5 C#CCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000688953 [1,1,0,0,0,0|0,0,0]=2 2117 B15R2.5 C#CCCOC1CCc2c1cccc2 34a_100000212247_100000688953 [1,1,0,0,0,0|1,0,0]=3 2118 B15R2.5 C#CCCOC1CCc2c1cccc2 7a_100000212247_100000688953 [1,1,0,0,0,0|1,0,0]=3 2119 B15R2.5 C#CCCSC1CCc2c1cccc2 62a_100000688953_200000721974 [1,1,0,0,0,0|1,0,0]=3 2120 B15R2.5 C#CCNCC1CCc2c1cccc2 2230a_100020632452_100000038162 [1,1,0,0,0,0|0,0,0]=2 2121 B15R2.5 C#CCNCC1CCc2c1cccc2 34a_100020632452_100000184674 [1,1,0,0,0,0|0,0,0]=2 2122 B15R2.5 C/C=C/CN[C@H]1CCc2c1cccc2 34a_100016989578_100102629194 [1,1,0,0,0,0|0,0,2]=4 2123 B15R2.5 C=CCCNC1CCc2c1cccc2 2230a_100015191253_200000721974 [1,1,0,0,0,0|0,0,2]=4 2124 B15R2.5 C=CCCNC1CCc2c1cccc2 269862a_100015191253_100000212051 [1,1,0,0,0,0|0,0,2]=4 2125 B15R2.5 C=CCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000754431 [1,1,0,0,0,0|0,0,2]=4 2126 B15R2.5 C=CCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000754431 [1,1,0,0,0,0|0,0,2]=4 2127 B15R2.5 C=CCNCC1CCc2c1cccc2 2230a_100020632452_100000210623 [1,1,0,0,0,0|0,0,2]=4 2128 B15R2.5 C=CCNCC1CCc2c1cccc2 34a_100020632452_100015514636 [1,1,0,0,0,0|0,0,2]=4 2129 B15R2.5 CC#CCNC1CCc2c1cccc2 2230a_100000685387_200000721974 [1,1,0,0,0,0|0,0,0]=2 2130 B15R2.5 CC#CCNC1COc2c1cccc2 2230a_100000747519_100000748600 [1,1,0,0,0,0|1,0,0]=3 2131 B15R2.5 CC#CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000748600 [1,1,0,0,0,0|0,0,0]=2 2132 B15R2.5 CC#CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000748600 [1,1,0,0,0,0|0,0,0]=2 2133 B15R2.5 CC#CCOC1CCc2c1cccc2 34a_100000212247_100000748600 [1,1,0,0,0,0|1,0,0]=3 2134 B15R2.5 CC#CCOC1CCc2c1cccc2 7a_100000212247_100000748600 [1,1,0,0,0,0|1,0,0]=3 2135 B15R2.5 CC#CCSC1CCc2c1cccc2 62a_100000748600_200000721974 [1,1,0,0,0,0|1,0,0]=3 2136 B15R2.5 CC=CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000070051 [1,1,0,0,0,0|0,0,2]=4 2137 B15R2.5 CC=CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000070051 [1,1,0,0,0,0|0,0,2]=4 2138 B15R2.5 CCCCNC1CCc2c1cccc2 2230a_100000102301_200000721974 [1,1,0,0,0,0|0,0,2]=4 2139 B15R2.5 CCCCNC1CCc2c1cccc2 269862a_100000102301_100000212051 [1,1,0,0,0,0|0,0,2]=4 2140 B15R2.5 CCCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210211 [1,1,0,0,0,0|0,0,2]=4 2141 B15R2.5 CCCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210210 [1,1,0,0,0,0|0,0,2]=4 2142 B15R2.5 CCCNCC1CCc2c1cccc2 2230a_100020632452_100000210303 [1,1,0,0,0,0|0,0,2]=4 2143 B15R2.5 CCCNCC1CCc2c1cccc2 34a_100020632452_100000210303 [1,1,0,0,0,0|0,0,2]=4 2144 B15R2.5 COCCNC1CCc2c1cccc2 2230a_100000209980_200000721974 [1,1,0,0,0,0|0,0,2]=4 2145 B15R2.5 COCCNC1CCc2c1cccc2 269862a_100000209980_100000212051 [1,1,0,0,0,0|0,0,2]=4 2146 B15R2.5 COCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100011201679 [1,1,0,0,0,0|0,0,2]=4 2147 B15R2.5 COCCN[C@H]1CCc2c1cccc2 34a_100016989578_100011201679 [1,1,0,0,0,0|0,0,2]=4 2148 B15R2.5 COCNCC1CCc2c1cccc2 2230a_100020632452_100000766300 [1,1,0,0,0,0|1,0,1]=4 2149 B15R2.5 CSCCNC1CCc2c1cccc2 2230a_100020590264_200000721974 [1,1,0,0,0,0|0,0,2]=4 2150 B15R2.5 CSCCNC1CCc2c1cccc2 269862a_100020590264_100000212051 [1,1,0,0,0,0|0,0,2]=4 2151 B15R2.5 CSCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000751147 [1,1,0,0,0,0|0,0,2]=4 2152 B15R2.5 CSCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000212216 [1,1,0,0,0,0|0,0,2]=4 2153 B15R2.5 CSCNCC1CCc2c1cccc2 2230a_100020632452_100011218213 [1,1,0,0,0,0|1,0,1]=4 2154 B15R2.5 CSCNCC1CCc2c1cccc2 34a_100020632452_100011218213 [1,1,0,0,0,0|1,0,1]=4 2155 B15R2.5 FCCCNC1CCc2c1cccc2 2230a_100015189416_200000721974 [1,1,0,0,0,0|0,0,2]=4 2156 B15R2.5 FCCCNC1CCc2c1cccc2 269862a_100015189416_100000212051 [1,1,0,0,0,0|0,0,2]=4 2157 B15R2.5 FCCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100011934791 [1,1,0,0,0,0|0,0,2]=4 2158 B15R2.5 FCCCN[C@H]1CCc2c1cccc2 34a_100016989578_100011934791 [1,1,0,0,0,0|0,0,2]=4 2159 B15R2.5 FCCNCC1CCc2c1cccc2 2230a_100020632452_100011217306 [1,1,0,0,0,0|1,0,1]=4 2160 B15R2.5 FCCNCC1CCc2c1cccc2 34a_100020632452_100011217306 [1,1,0,0,0,0|1,0,1]=4 2161 B15R2.5 N#CCCNC1COc2c1cccc2 2230a_100000747519_100011215226 [1,1,0,0,0,0|1,0,1]=4 2162 B15R2.5 N#CCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100011215226 [1,1,0,0,0,0|0,0,1]=3 2163 B15R2.5 N#CCCOC1CCc2c1cccc2 7a_100000212247_100000184422 [1,1,0,0,0,0|1,0,1]=4 2164 B15R2.5 N#CCCSC1CCc2c1cccc2 62a_100011215226_200000721974 [1,1,0,0,0,0|1,0,1]=4 2165 B15R2.5 N#CCNCC1CCc2c1cccc2 2230a_100020632452_100011215382 [1,1,0,0,0,0|1,0,0]=3 2166 B15R2.5 N#CSCSC1CCc2c1cccc2 62a_100000211825_200000721974 [1,1,0,0,0,0|2,0,0]=4 2167 B15R2.5 O=CCNCC1CCc2c1cccc2 2230a_100020632452_200015260668 [1,1,0,0,0,0|1,0,1]=4 2168 B15R2.5 O=CCNCC1CCc2c1cccc2 34a_100020632452_200009817547 [1,1,0,0,0,0|1,0,1]=4 2169 B15R2.5 OCCCNC1CCc2c1cccc2 269862a_100000182051_100000212051 [1,1,0,0,0,0|0,0,2]=4 2170 B15R2.5 OCCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000230001 [1,1,0,0,0,0|0,0,2]=4 2171 B15R2.5 OCCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000230001 [1,1,0,0,0,0|0,0,2]=4 2172 B15R2.5 OCCNCC1CCc2c1cccc2 2230a_100020632452_100000211926 [1,1,0,0,0,0|1,0,1]=4 2173 B15R2.5 OCCNCC1CCc2c1cccc2 34a_100020632452_100000211926 [1,1,0,0,0,0|1,0,1]=4 2174 B15R2.6 C=C(C)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100000748629 [1,1,0,0,0,0|0,0,2]=4 2175 B15R2.6 C=C(C)CN[C@H]1CCc2c1cccc2 34a_100016989578_100000748629 [1,1,0,0,0,0|0,0,2]=4 2176 B15R2.6 C=C(F)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100009893438 [1,1,0,0,0,0|0,0,2]=4 2177 B15R2.6 C=C(F)CN[C@H]1CCc2c1cccc2 34a_100016989578_100009893438 [1,1,0,0,0,0|0,0,2]=4 2178 B15R2.6 CC(C)CNC1CCc2c1cccc2 2230a_100000210953_200000721974 [1,1,0,0,0,0|0,0,2]=4 2179 B15R2.6 CC(C)CNC1CCc2c1cccc2 269862a_100000210953_100000212051 [1,1,0,0,0,0|0,0,2]=4 2180 B15R2.6 CC(C)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210760 [1,1,0,0,0,0|0,0,2]=4 2181 B15R2.6 CC(C)CN[C@H]1CCc2c1cccc2 270004a_100016989578_100000210432 [1,1,0,0,0,0|0,0,2]=4 2182 B15R2.6 CC(C)CN[C@H]1CCc2c1cccc2 34a_100016989578_100000210624 [1,1,0,0,0,0|0,0,2]=4 2183 B15R2.6 CC(O)CNC1CCc2c1cccc2 2230a_100000210904_200000721974 [1,1,0,0,0,0|0,0,2]=4 2184 B15R2.6 CC(O)CNC1CCc2c1cccc2 269862a_100000210904_100000212051 [1,1,0,0,0,0|0,0,2]=4 2185 B15R2.6 CC(O)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100011218427 [1,1,0,0,0,0|0,0,2]=4 2186 B15R2.6 CC(O)CN[C@H]1CCc2c1cccc2 34a_100016989578_100011218427 [1,1,0,0,0,0|0,0,2]=4 2187 B15R2.6 C[C@@H](O)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100009817552 [1,1,0,0,0,0|0,0,2]=4 2188 B15R2.6 C[C@@H](O)CN[C@H]1CCc2c1cccc2 34a_100016989578_100009817552 [1,1,0,0,0,0|0,0,2]=4 2189 B15R2.6 FC(F)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100011934356 [1,1,0,0,0,0|1,0,1]=4 2190 B15R2.6 FC(F)CN[C@H]1CCc2c1cccc2 34a_100016989578_100011934356 [1,1,0,0,0,0|1,0,1]=4 2191 B15R2.6 NC(=O)CNC1CCc2c1cccc2 2230a_100000711301_200000721974 [1,1,0,0,0,0|1,0,1]=4 2192 B15R2.6 NC(=O)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100000747473 [1,1,0,0,0,0|1,0,1]=4 2193 B15R2.6 NC(=O)CN[C@H]1CCc2c1cccc2 34a_100016989578_100000187820 [1,1,0,0,0,0|1,0,1]=4 2194 B15R2.6 O=C(O)CNC1CCc2c1cccc2 269956a_100016091260_200000721974 [1,1,0,0,0,0|1,0,1]=4 2195 B15R2.6 O=C([O-])CN[C@H]1CCc2c1cccc2 34a_100016989578_100020667443 [1,1,0,0,0,0|1,0,1]=4 2196 B15R2.6 O=[N+]([O-])CN[C@H]1CCc2c1cccc2 34a_100016989578_100000761209 [1,1,0,0,0,0|2,0,0]=4 2197 B15R2.65 C#CCNC1CCc2c1cccc2Br 2230a_100000751068_100000038162 [1,1,0,0,0,0|0,0,0]=2 2198 B15R2.65 C#CCNC1CCc2c1cccc2Br 34a_100000751068_100000184674 [1,1,0,0,0,0|0,0,0]=2 2199 B15R2.65 C#CCNC1CCc2c1cccc2Cl 2230a_100000743989_100000038162 [1,1,0,0,0,0|0,0,0]=2 2200 B15R2.65 C#CCNC1CCc2c1cccc2Cl 34a_100000743989_100000184674 [1,1,0,0,0,0|0,0,0]=2 2201 B15R2.65 C#CCNC1COc2c1cccc2Br 2230a_100025715106_100000038162 [1,1,0,0,0,0|1,0,0]=3 2202 B15R2.65 C#CCNC1COc2c1cccc2F 2230a_200011230594_100000038162 [1,1,0,0,0,0|1,0,0]=3 2203 B15R2.65 C#CCNC1COc2c1cccc2F 34a_200011230594_100000184674 [1,1,0,0,0,0|1,0,0]=3 2204 B15R2.65 C#CCN[C@H]1CCc2c1cccc2C 2230a_100134618347_100000038162 [1,1,0,0,0,0|0,0,0]=2 2205 B15R2.65 C#CCN[C@H]1CCc2c1cccc2C 34a_100134618347_100000184674 [1,1,0,0,0,0|0,0,0]=2 2206 B15R2.65 C#CCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000038162 [1,1,0,0,0,0|0,0,0]=2 2207 B15R2.65 C#CCN[C@H]1CCc2c1cccc2F 34a_100015193782_100000184674 [1,1,0,0,0,0|0,0,0]=2 2208 B15R2.65 C#CCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000038162 [1,1,0,0,0,0|0,0,0]=2 2209 B15R2.65 C#CCN[C@H]1CCc2c1cccc2O 34a_100134616730_100000184674 [1,1,0,0,0,0|0,0,0]=2 2210 B15R2.65 C#CCN[C@H]1COc2c1cccc2Cl 2230a_100102463758_100000038162 [1,1,0,0,0,0|1,0,0]=3 2211 B15R2.65 C#CCN[C@H]1COc2c1cccc2Cl 34a_100102463758_100000184674 [1,1,0,0,0,0|1,0,0]=3 2212 B15R2.65 C#CCOC1CCc2c1cccc2C 34a_100011467954_100000184674 [1,1,0,0,0,0|1,0,0]=3 2213 B15R2.65 C#CCOC1CCc2c1cccc2C 7a_100011467954_100000038162 [1,1,0,0,0,0|1,0,0]=3 2214 B15R2.65 C#CCOC1CCc2c1nccc2Cl 7a_100009868430_100000038162 [1,1,0,0,0,0|2,0,0]=4 2215 B15R2.65 C#CCO[C@H]1CCc2c1cccc2Br 34a_100010080924_100000184674 [1,1,0,0,0,0|1,0,0]=3 2216 B15R2.65 C#CCO[C@H]1CCc2c1cccc2Br 7a_100010080924_100000038162 [1,1,0,0,0,0|1,0,0]=3 2217 B15R2.65 C=CCNC1CCc2c1cccc2Br 2230a_100000751068_100000210623 [1,1,0,0,0,0|0,0,2]=4 2218 B15R2.65 C=CCNC1CCc2c1cccc2Br 34a_100000751068_100015514636 [1,1,0,0,0,0|0,0,2]=4 2219 B15R2.65 C=CCNC1CCc2c1cccc2Cl 2230a_100000743989_100000210623 [1,1,0,0,0,0|0,0,2]=4 2220 B15R2.65 C=CCNC1CCc2c1cccc2Cl 34a_100000743989_100015514636 [1,1,0,0,0,0|0,0,2]=4 2221 B15R2.65 C=CCN[C@H]1CCc2c1cccc2C 2230a_100134618347_100000210623 [1,1,0,0,0,0|0,0,2]=4 2222 B15R2.65 C=CCN[C@H]1CCc2c1cccc2C 34a_100134618347_100015514636 [1,1,0,0,0,0|0,0,2]=4 2223 B15R2.65 C=CCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000210623 [1,1,0,0,0,0|0,0,2]=4 2224 B15R2.65 C=CCN[C@H]1CCc2c1cccc2F 34a_100015193782_100015514636 [1,1,0,0,0,0|0,0,2]=4 2225 B15R2.65 C=CCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000210623 [1,1,0,0,0,0|0,0,2]=4 2226 B15R2.65 C=CCN[C@H]1CCc2c1cccc2O 34a_100134616730_100015514636 [1,1,0,0,0,0|0,0,2]=4 2227 B15R2.65 CCCNC1CCc2c1cccc2Br 2230a_100000751068_100000210303 [1,1,0,0,0,0|0,0,2]=4 2228 B15R2.65 CCCNC1CCc2c1cccc2Br 269862a_100020643023_100000744605 [1,1,0,0,0,0|0,0,2]=4 2229 B15R2.65 CCCNC1CCc2c1cccc2Br 34a_100000751068_100000210303 [1,1,0,0,0,0|0,0,2]=4 2230 B15R2.65 CCCNC1CCc2c1cccc2C 269862a_100020643023_100000752022 [1,1,0,0,0,0|0,0,2]=4 2231 B15R2.65 CCCNC1CCc2c1cccc2Cl 2230a_100000743989_100000210303 [1,1,0,0,0,0|0,0,2]=4 2232 B15R2.65 CCCNC1CCc2c1cccc2Cl 269862a_100020643023_100000743251 [1,1,0,0,0,0|0,0,2]=4 2233 B15R2.65 CCCNC1CCc2c1cccc2Cl 34a_100000743989_100000210303 [1,1,0,0,0,0|0,0,2]=4 2234 B15R2.65 CCCNC1CCc2c1cccc2F 269862a_100020643023_100000743250 [1,1,0,0,0,0|0,0,2]=4 2235 B15R2.65 CCCNC1CCc2c1cccc2I 269862a_100020643023_100000049675 [1,1,0,0,0,0|0,0,2]=4 2236 B15R2.65 CCCN[C@H]1CCc2c1cccc2C 2230a_100134618347_100000210303 [1,1,0,0,0,0|0,0,2]=4 2237 B15R2.65 CCCN[C@H]1CCc2c1cccc2C 34a_100134618347_100000210303 [1,1,0,0,0,0|0,0,2]=4 2238 B15R2.65 CCCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000210303 [1,1,0,0,0,0|0,0,2]=4 2239 B15R2.65 CCCN[C@H]1CCc2c1cccc2F 34a_100015193782_100000210303 [1,1,0,0,0,0|0,0,2]=4 2240 B15R2.65 CCCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000210303 [1,1,0,0,0,0|0,0,2]=4 2241 B15R2.65 CCCN[C@H]1CCc2c1cccc2O 34a_100134616730_100000210303 [1,1,0,0,0,0|0,0,2]=4 2242 B15R2.65 COCNC1CCc2c1cccc2Br 2230a_100000751068_100000766300 [1,1,0,0,0,0|1,0,1]=4 2243 B15R2.65 COCNC1CCc2c1cccc2Cl 2230a_100000743989_100000766300 [1,1,0,0,0,0|1,0,1]=4 2244 B15R2.65 COCN[C@H]1CCc2c1cccc2C 2230a_100134618347_100000766300 [1,1,0,0,0,0|1,0,1]=4 2245 B15R2.65 COCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000766300 [1,1,0,0,0,0|1,0,1]=4 2246 B15R2.65 COCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000766300 [1,1,0,0,0,0|1,0,1]=4 2247 B15R2.65 CSCNC1CCc2c1cccc2Br 2230a_100000751068_100011218213 [1,1,0,0,0,0|1,0,1]=4 2248 B15R2.65 CSCNC1CCc2c1cccc2Br 34a_100000751068_100011218213 [1,1,0,0,0,0|1,0,1]=4 2249 B15R2.65 CSCNC1CCc2c1cccc2Cl 2230a_100000743989_100011218213 [1,1,0,0,0,0|1,0,1]=4 2250 B15R2.65 CSCNC1CCc2c1cccc2Cl 34a_100000743989_100011218213 [1,1,0,0,0,0|1,0,1]=4 2251 B15R2.65 CSCN[C@H]1CCc2c1cccc2C 2230a_100134618347_100011218213 [1,1,0,0,0,0|1,0,1]=4 2252 B15R2.65 CSCN[C@H]1CCc2c1cccc2C 34a_100134618347_100011218213 [1,1,0,0,0,0|1,0,1]=4 2253 B15R2.65 CSCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100011218213 [1,1,0,0,0,0|1,0,1]=4 2254 B15R2.65 CSCN[C@H]1CCc2c1cccc2F 34a_100015193782_100011218213 [1,1,0,0,0,0|1,0,1]=4 2255 B15R2.65 CSCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100011218213 [1,1,0,0,0,0|1,0,1]=4 2256 B15R2.65 CSCN[C@H]1CCc2c1cccc2O 34a_100134616730_100011218213 [1,1,0,0,0,0|1,0,1]=4 2257 B15R2.65 Cc1cccc2c1CCC2NCCF 269862a_100000724931_100000752022 [1,1,0,0,0,0|1,0,1]=4 2258 B15R2.65 Cc1cccc2c1CCC2NCCO 269862a_100000210304_100000752022 [1,1,0,0,0,0|1,0,1]=4 2259 B15R2.65 Cc1cccc2c1CCC2OCC#N 7a_100011467954_100011215382 [1,1,0,0,0,0|2,0,0]=4 2260 B15R2.65 Cc1cccc2c1CC[C@@H]2NCC#N 2230a_100134618347_100011215382 [1,1,0,0,0,0|1,0,0]=3 2261 B15R2.65 Cc1cccc2c1CC[C@@H]2NCC=O 2230a_100134618347_200015260668 [1,1,0,0,0,0|1,0,1]=4 2262 B15R2.65 Cc1cccc2c1CC[C@@H]2NCC=O 34a_100134618347_200009817547 [1,1,0,0,0,0|1,0,1]=4 2263 B15R2.65 Cc1cccc2c1CC[C@@H]2NCCF 2230a_100134618347_100011217306 [1,1,0,0,0,0|1,0,1]=4 2264 B15R2.65 Cc1cccc2c1CC[C@@H]2NCCF 34a_100134618347_100011217306 [1,1,0,0,0,0|1,0,1]=4 2265 B15R2.65 Cc1cccc2c1CC[C@@H]2NCCO 2230a_100134618347_100000211926 [1,1,0,0,0,0|1,0,1]=4 2266 B15R2.65 Cc1cccc2c1CC[C@@H]2NCCO 34a_100134618347_100000211926 [1,1,0,0,0,0|1,0,1]=4 2267 B15R2.65 FCCNC1CCc2c1cccc2Br 2230a_100000751068_100011217306 [1,1,0,0,0,0|1,0,1]=4 2268 B15R2.65 FCCNC1CCc2c1cccc2Br 269862a_100000724931_100000744605 [1,1,0,0,0,0|1,0,1]=4 2269 B15R2.65 FCCNC1CCc2c1cccc2Br 34a_100000751068_100011217306 [1,1,0,0,0,0|1,0,1]=4 2270 B15R2.65 FCCNC1CCc2c1cccc2Cl 2230a_100000743989_100011217306 [1,1,0,0,0,0|1,0,1]=4 2271 B15R2.65 FCCNC1CCc2c1cccc2Cl 269862a_100000724931_100000743251 [1,1,0,0,0,0|1,0,1]=4 2272 B15R2.65 FCCNC1CCc2c1cccc2Cl 34a_100000743989_100011217306 [1,1,0,0,0,0|1,0,1]=4 2273 B15R2.65 FCCNC1CCc2c1cccc2F 269862a_100000724931_100000743250 [1,1,0,0,0,0|1,0,1]=4 2274 B15R2.65 FCCNC1CCc2c1cccc2I 269862a_100000724931_100000049675 [1,1,0,0,0,0|1,0,1]=4 2275 B15R2.65 FCCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100011217306 [1,1,0,0,0,0|1,0,1]=4 2276 B15R2.65 FCCN[C@H]1CCc2c1cccc2F 34a_100015193782_100011217306 [1,1,0,0,0,0|1,0,1]=4 2277 B15R2.65 N#CCNC1CCc2c1cccc2Br 2230a_100000751068_100011215382 [1,1,0,0,0,0|1,0,0]=3 2278 B15R2.65 N#CCNC1CCc2c1cccc2Cl 2230a_100000743989_100011215382 [1,1,0,0,0,0|1,0,0]=3 2279 B15R2.65 N#CCNC1COc2c1cccc2Br 2230a_100025715106_100011215382 [1,1,0,0,0,0|2,0,0]=4 2280 B15R2.65 N#CCNC1COc2c1cccc2F 2230a_200011230594_100011215382 [1,1,0,0,0,0|2,0,0]=4 2281 B15R2.65 N#CCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100011215382 [1,1,0,0,0,0|1,0,0]=3 2282 B15R2.65 N#CCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100011215382 [1,1,0,0,0,0|1,0,0]=3 2283 B15R2.65 N#CCN[C@H]1COc2c1cccc2Cl 2230a_100102463758_100011215382 [1,1,0,0,0,0|2,0,0]=4 2284 B15R2.65 N#CCO[C@H]1CCc2c1cccc2Br 7a_100010080924_100011215382 [1,1,0,0,0,0|2,0,0]=4 2285 B15R2.65 O=CCNC1CCc2c1cccc2Br 2230a_100000751068_200015260668 [1,1,0,0,0,0|1,0,1]=4 2286 B15R2.65 O=CCNC1CCc2c1cccc2Br 34a_100000751068_200009817547 [1,1,0,0,0,0|1,0,1]=4 2287 B15R2.65 O=CCNC1CCc2c1cccc2Cl 2230a_100000743989_200015260668 [1,1,0,0,0,0|1,0,1]=4 2288 B15R2.65 O=CCNC1CCc2c1cccc2Cl 34a_100000743989_200009817547 [1,1,0,0,0,0|1,0,1]=4 2289 B15R2.65 O=CCN[C@H]1CCc2c1cccc2F 2230a_100015193782_200015260668 [1,1,0,0,0,0|1,0,1]=4 2290 B15R2.65 O=CCN[C@H]1CCc2c1cccc2F 34a_100015193782_200009817547 [1,1,0,0,0,0|1,0,1]=4 2291 B15R2.65 O=CCN[C@H]1CCc2c1cccc2O 2230a_100134616730_200015260668 [1,1,0,0,0,0|1,0,1]=4 2292 B15R2.65 O=CCN[C@H]1CCc2c1cccc2O 34a_100134616730_200009817547 [1,1,0,0,0,0|1,0,1]=4 2293 B15R2.65 OCCNC1CCc2c1cccc2Br 2230a_100000751068_100000211926 [1,1,0,0,0,0|1,0,1]=4 2294 B15R2.65 OCCNC1CCc2c1cccc2Br 269862a_100000210304_100000744605 [1,1,0,0,0,0|1,0,1]=4 2295 B15R2.65 OCCNC1CCc2c1cccc2Br 34a_100000751068_100000211926 [1,1,0,0,0,0|1,0,1]=4 2296 B15R2.65 OCCNC1CCc2c1cccc2Cl 2230a_100000743989_100000211926 [1,1,0,0,0,0|1,0,1]=4 2297 B15R2.65 OCCNC1CCc2c1cccc2Cl 269862a_100000210304_100000743251 [1,1,0,0,0,0|1,0,1]=4 2298 B15R2.65 OCCNC1CCc2c1cccc2Cl 34a_100000743989_100000211926 [1,1,0,0,0,0|1,0,1]=4 2299 B15R2.65 OCCNC1CCc2c1cccc2F 269862a_100000210304_100000743250 [1,1,0,0,0,0|1,0,1]=4 2300 B15R2.65 OCCNC1CCc2c1cccc2I 269862a_100000210304_100000049675 [1,1,0,0,0,0|1,0,1]=4 2301 B15R2.65 OCCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000211926 [1,1,0,0,0,0|1,0,1]=4 2302 B15R2.65 OCCN[C@H]1CCc2c1cccc2F 34a_100015193782_100000211926 [1,1,0,0,0,0|1,0,1]=4 2303 B15R2.65 OCCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000211926 [1,1,0,0,0,0|1,0,1]=4 2304 B15R2.65 OCCN[C@H]1CCc2c1cccc2O 34a_100134616730_100000211926 [1,1,0,0,0,0|1,0,1]=4 2305 B15R2.65 Oc1cccc2c1CC[C@@H]2NCCF 2230a_100134616730_100011217306 [1,1,0,0,0,0|1,0,1]=4 2306 B15R2.65 Oc1cccc2c1CC[C@@H]2NCCF 34a_100134616730_100011217306 [1,1,0,0,0,0|1,0,1]=4 2307 B15R2.1385 C#CCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000038162 [1,1,0,0,0,0|0,0,0]=2 2308 B15R2.1385 C#CCNC1CCc2c1ccc(c2)Br 34a_100000744021_100000184674 [1,1,0,0,0,0|0,0,0]=2 2309 B15R2.1385 C#CCNC1CCc2c1ccc(c2)C 2230a_200000746848_100000038162 [1,1,0,0,0,0|0,0,0]=2 2310 B15R2.1385 C#CCNC1CCc2c1ccc(c2)C 34a_200000746848_100000184674 [1,1,0,0,0,0|0,0,0]=2 2311 B15R2.1385 C#CCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000038162 [1,1,0,0,0,0|0,0,0]=2 2312 B15R2.1385 C#CCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000184674 [1,1,0,0,0,0|0,0,0]=2 2313 B15R2.1385 C#CCNC1COc2c1ccc(c2)Br 2230a_100020628175_100000038162 [1,1,0,0,0,0|1,0,0]=3 2314 B15R2.1385 C#CCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000038162 [1,1,0,0,0,0|0,0,0]=2 2315 B15R2.1385 C#CCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100000184674 [1,1,0,0,0,0|0,0,0]=2 2316 B15R2.1385 C#CCN[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_100000038162 [1,1,0,0,0,0|1,0,0]=3 2317 B15R2.1385 C#CCN[C@H]1COc2c1ccc(c2)F 2230a_100102463760_100000038162 [1,1,0,0,0,0|1,0,0]=3 2318 B15R2.1385 C#CCN[C@H]1COc2c1ccc(c2)F 34a_100102463760_100000184674 [1,1,0,0,0,0|1,0,0]=3 2319 B15R2.1385 C#CCOC1CCc2c1ccc(c2)Br 34a_100000747877_100000184674 [1,1,0,0,0,0|1,0,0]=3 2320 B15R2.1385 C#CCOC1CCc2c1ccc(c2)Br 7a_100000747877_100000038162 [1,1,0,0,0,0|1,0,0]=3 2321 B15R2.1385 C#CCOC1CCc2c1ccc(c2)C 34a_100000103036_100000184674 [1,1,0,0,0,0|1,0,0]=3 2322 B15R2.1385 C#CCOC1CCc2c1ccc(c2)C 7a_100000103036_100000038162 [1,1,0,0,0,0|1,0,0]=3 2323 B15R2.1385 C#CCOC1CCc2c1ccc(c2)Cl 34a_100012002497_100000184674 [1,1,0,0,0,0|1,0,0]=3 2324 B15R2.1385 C#CCOC1CCc2c1ccc(c2)Cl 7a_100012002497_100000038162 [1,1,0,0,0,0|1,0,0]=3 2325 B15R2.1385 C#CCOC1CCc2c1ccc(c2)F 34a_100012002498_100000184674 [1,1,0,0,0,0|1,0,0]=3 2326 B15R2.1385 C#CCOC1CCc2c1ccc(c2)F 7a_100012002498_100000038162 [1,1,0,0,0,0|1,0,0]=3 2327 B15R2.1385 C=CCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000210623 [1,1,0,0,0,0|0,0,2]=4 2328 B15R2.1385 C=CCNC1CCc2c1ccc(c2)Br 34a_100000744021_100015514636 [1,1,0,0,0,0|0,0,2]=4 2329 B15R2.1385 C=CCNC1CCc2c1ccc(c2)C 2230a_200000746848_100000210623 [1,1,0,0,0,0|0,0,2]=4 2330 B15R2.1385 C=CCNC1CCc2c1ccc(c2)C 34a_200000746848_100015514636 [1,1,0,0,0,0|0,0,2]=4 2331 B15R2.1385 C=CCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000210623 [1,1,0,0,0,0|0,0,2]=4 2332 B15R2.1385 C=CCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100015514636 [1,1,0,0,0,0|0,0,2]=4 2333 B15R2.1385 C=CCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000210623 [1,1,0,0,0,0|0,0,2]=4 2334 B15R2.1385 C=CCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100015514636 [1,1,0,0,0,0|0,0,2]=4 2335 B15R2.1385 CCCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000210303 [1,1,0,0,0,0|0,0,2]=4 2336 B15R2.1385 CCCNC1CCc2c1ccc(c2)Br 269862a_100020643023_100000737041 [1,1,0,0,0,0|0,0,2]=4 2337 B15R2.1385 CCCNC1CCc2c1ccc(c2)Br 34a_100000744021_100000210303 [1,1,0,0,0,0|0,0,2]=4 2338 B15R2.1385 CCCNC1CCc2c1ccc(c2)C 2230a_200000746848_100000210303 [1,1,0,0,0,0|0,0,2]=4 2339 B15R2.1385 CCCNC1CCc2c1ccc(c2)C 269862a_100020643023_100000743249 [1,1,0,0,0,0|0,0,2]=4 2340 B15R2.1385 CCCNC1CCc2c1ccc(c2)C 34a_200000746848_100000210303 [1,1,0,0,0,0|0,0,2]=4 2341 B15R2.1385 CCCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000210303 [1,1,0,0,0,0|0,0,2]=4 2342 B15R2.1385 CCCNC1CCc2c1ccc(c2)Cl 269862a_100020643023_100000751102 [1,1,0,0,0,0|0,0,2]=4 2343 B15R2.1385 CCCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000210303 [1,1,0,0,0,0|0,0,2]=4 2344 B15R2.1385 CCCNC1CCc2c1ccc(c2)F 269862a_100020643023_100000035798 [1,1,0,0,0,0|0,0,2]=4 2345 B15R2.1385 CCCNC1CCc2c1ccc(c2)I 269862a_100020643023_100000049573 [1,1,0,0,0,0|0,0,2]=4 2346 B15R2.1385 CCCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000210303 [1,1,0,0,0,0|0,0,2]=4 2347 B15R2.1385 CCCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100000210303 [1,1,0,0,0,0|0,0,2]=4 2348 B15R2.1385 COCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000766300 [1,1,0,0,0,0|1,0,1]=4 2349 B15R2.1385 COCNC1CCc2c1ccc(c2)C 2230a_200000746848_100000766300 [1,1,0,0,0,0|1,0,1]=4 2350 B15R2.1385 COCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000766300 [1,1,0,0,0,0|1,0,1]=4 2351 B15R2.1385 COCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000766300 [1,1,0,0,0,0|1,0,1]=4 2352 B15R2.1385 CSCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100011218213 [1,1,0,0,0,0|1,0,1]=4 2353 B15R2.1385 CSCNC1CCc2c1ccc(c2)Br 34a_100000744021_100011218213 [1,1,0,0,0,0|1,0,1]=4 2354 B15R2.1385 CSCNC1CCc2c1ccc(c2)C 2230a_200000746848_100011218213 [1,1,0,0,0,0|1,0,1]=4 2355 B15R2.1385 CSCNC1CCc2c1ccc(c2)C 34a_200000746848_100011218213 [1,1,0,0,0,0|1,0,1]=4 2356 B15R2.1385 CSCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100011218213 [1,1,0,0,0,0|1,0,1]=4 2357 B15R2.1385 CSCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100011218213 [1,1,0,0,0,0|1,0,1]=4 2358 B15R2.1385 CSCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100011218213 [1,1,0,0,0,0|1,0,1]=4 2359 B15R2.1385 CSCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100011218213 [1,1,0,0,0,0|1,0,1]=4 2360 B15R2.1385 Cc1ccc2c(c1)CCC2NCC#N 2230a_200000746848_100011215382 [1,1,0,0,0,0|1,0,0]=3 2361 B15R2.1385 Cc1ccc2c(c1)CCC2NCC=O 2230a_200000746848_200015260668 [1,1,0,0,0,0|1,0,1]=4 2362 B15R2.1385 Cc1ccc2c(c1)CCC2NCC=O 34a_200000746848_200009817547 [1,1,0,0,0,0|1,0,1]=4 2363 B15R2.1385 Cc1ccc2c(c1)CCC2NCCF 2230a_200000746848_100011217306 [1,1,0,0,0,0|1,0,1]=4 2364 B15R2.1385 Cc1ccc2c(c1)CCC2NCCF 269862a_100000724931_100000743249 [1,1,0,0,0,0|1,0,1]=4 2365 B15R2.1385 Cc1ccc2c(c1)CCC2NCCF 34a_200000746848_100011217306 [1,1,0,0,0,0|1,0,1]=4 2366 B15R2.1385 Cc1ccc2c(c1)CCC2NCCO 2230a_200000746848_100000211926 [1,1,0,0,0,0|1,0,1]=4 2367 B15R2.1385 Cc1ccc2c(c1)CCC2NCCO 269862a_100000210304_100000743249 [1,1,0,0,0,0|1,0,1]=4 2368 B15R2.1385 Cc1ccc2c(c1)CCC2NCCO 34a_200000746848_100000211926 [1,1,0,0,0,0|1,0,1]=4 2369 B15R2.1385 Cc1ccc2c(c1)CCC2OCC#N 7a_100000103036_100011215382 [1,1,0,0,0,0|2,0,0]=4 2370 B15R2.1385 FCCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100011217306 [1,1,0,0,0,0|1,0,1]=4 2371 B15R2.1385 FCCNC1CCc2c1ccc(c2)Br 269862a_100000724931_100000737041 [1,1,0,0,0,0|1,0,1]=4 2372 B15R2.1385 FCCNC1CCc2c1ccc(c2)Br 34a_100000744021_100011217306 [1,1,0,0,0,0|1,0,1]=4 2373 B15R2.1385 FCCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100011217306 [1,1,0,0,0,0|1,0,1]=4 2374 B15R2.1385 FCCNC1CCc2c1ccc(c2)Cl 269862a_100000724931_100000751102 [1,1,0,0,0,0|1,0,1]=4 2375 B15R2.1385 FCCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100011217306 [1,1,0,0,0,0|1,0,1]=4 2376 B15R2.1385 FCCNC1CCc2c1ccc(c2)F 269862a_100000724931_100000035798 [1,1,0,0,0,0|1,0,1]=4 2377 B15R2.1385 FCCNC1CCc2c1ccc(c2)I 269862a_100000724931_100000049573 [1,1,0,0,0,0|1,0,1]=4 2378 B15R2.1385 FCCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100011217306 [1,1,0,0,0,0|1,0,1]=4 2379 B15R2.1385 FCCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100011217306 [1,1,0,0,0,0|1,0,1]=4 2380 B15R2.1385 N#CCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100011215382 [1,1,0,0,0,0|1,0,0]=3 2381 B15R2.1385 N#CCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100011215382 [1,1,0,0,0,0|1,0,0]=3 2382 B15R2.1385 N#CCNC1COc2c1ccc(c2)Br 2230a_100020628175_100011215382 [1,1,0,0,0,0|2,0,0]=4 2383 B15R2.1385 N#CCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100011215382 [1,1,0,0,0,0|1,0,0]=3 2384 B15R2.1385 N#CCN[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_100011215382 [1,1,0,0,0,0|2,0,0]=4 2385 B15R2.1385 N#CCN[C@H]1COc2c1ccc(c2)F 2230a_100102463760_100011215382 [1,1,0,0,0,0|2,0,0]=4 2386 B15R2.1385 N#CCOC1CCc2c1ccc(c2)Br 7a_100000747877_100011215382 [1,1,0,0,0,0|2,0,0]=4 2387 B15R2.1385 N#CCOC1CCc2c1ccc(c2)Cl 7a_100012002497_100011215382 [1,1,0,0,0,0|2,0,0]=4 2388 B15R2.1385 N#CCOC1CCc2c1ccc(c2)F 7a_100012002498_100011215382 [1,1,0,0,0,0|2,0,0]=4 2389 B15R2.1385 O=CCNC1CCc2c1ccc(c2)Br 2230a_100000744021_200015260668 [1,1,0,0,0,0|1,0,1]=4 2390 B15R2.1385 O=CCNC1CCc2c1ccc(c2)Br 34a_100000744021_200009817547 [1,1,0,0,0,0|1,0,1]=4 2391 B15R2.1385 O=CCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_200015260668 [1,1,0,0,0,0|1,0,1]=4 2392 B15R2.1385 O=CCNC1CCc2c1ccc(c2)Cl 34a_100000743821_200009817547 [1,1,0,0,0,0|1,0,1]=4 2393 B15R2.1385 O=CCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_200015260668 [1,1,0,0,0,0|1,0,1]=4 2394 B15R2.1385 O=CCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_200009817547 [1,1,0,0,0,0|1,0,1]=4 2395 B15R2.1385 OCCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000211926 [1,1,0,0,0,0|1,0,1]=4 2396 B15R2.1385 OCCNC1CCc2c1ccc(c2)Br 269862a_100000210304_100000737041 [1,1,0,0,0,0|1,0,1]=4 2397 B15R2.1385 OCCNC1CCc2c1ccc(c2)Br 34a_100000744021_100000211926 [1,1,0,0,0,0|1,0,1]=4 2398 B15R2.1385 OCCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000211926 [1,1,0,0,0,0|1,0,1]=4 2399 B15R2.1385 OCCNC1CCc2c1ccc(c2)Cl 269862a_100000210304_100000751102 [1,1,0,0,0,0|1,0,1]=4 2400 B15R2.1385 OCCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000211926 [1,1,0,0,0,0|1,0,1]=4 2401 B15R2.1385 OCCNC1CCc2c1ccc(c2)F 269862a_100000210304_100000035798 [1,1,0,0,0,0|1,0,1]=4 2402 B15R2.1385 OCCNC1CCc2c1ccc(c2)I 269862a_100000210304_100000049573 [1,1,0,0,0,0|1,0,1]=4 2403 B15R2.1385 OCCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000211926 [1,1,0,0,0,0|1,0,1]=4 2404 B15R2.1385 OCCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100000211926 [1,1,0,0,0,0|1,0,1]=4 2405 B15R2.1428 C#CCSC1CC(=O)c2c1cccc2 62a_100000038162_100010208147 [1,1,0,0,0,0|1,0,1]=4 2406 B15R2.1428 CC1CC(c2c1cccc2)NCCF 269862a_100000724931_100000750356 [1,1,0,0,0,0|1,0,1]=4 2407 B15R2.1428 CC1CC(c2c1cccc2)NCCO 269862a_100000210304_100000750356 [1,1,0,0,0,0|1,0,1]=4 2408 B15R2.1428 CCCNC1CC(c2c1cccc2)C 269862a_100020643023_100000750356 [1,1,0,0,0,0|0,0,2]=4 2409 B15R2.1435 C#CCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000038162 [1,1,0,0,0,0|0,0,0]=2 2410 B15R2.1435 C=CCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000210623 [1,1,0,0,0,0|0,0,2]=4 2411 B15R2.1435 CCCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000210303 [1,1,0,0,0,0|0,0,2]=4 2412 B15R2.1435 COCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000766300 [1,1,0,0,0,0|1,0,1]=4 2413 B15R2.1435 CSCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100011218213 [1,1,0,0,0,0|1,0,1]=4 2414 B15R2.1435 N#CCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100011215382 [1,1,0,0,0,0|1,0,0]=3 2415 B15R2.1435 O=CCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200015260668 [1,1,0,0,0,0|1,0,1]=4 2416 B15R2.1435 OCCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000211926 [1,1,0,0,0,0|1,0,1]=4 2417 B15R2.1435 O[C@@H]1Cc2ccccc2[C@@H]1NCCF 2230a_100000744645_100011217306 [1,1,0,0,0,0|1,0,1]=4 2418 B15R2.17667 C#CCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000038162 [1,1,0,0,0,0|0,0,0]=2 2419 B15R2.17667 C#CCNC1CCc2c1c(ccc2)Br 34a_100103168669_100000184674 [1,1,0,0,0,0|0,0,0]=2 2420 B15R2.17667 C#CCN[C@@H]1COc2c1c(ccc2)F 2230a_200015272058_100000038162 [1,1,0,0,0,0|1,0,0]=3 2421 B15R2.17667 C#CCN[C@@H]1COc2c1c(ccc2)F 34a_200015272058_100000184674 [1,1,0,0,0,0|1,0,0]=3 2422 B15R2.17667 C#CCOC1CSc2c1c(ccc2)Br 7a_200010991195_100000038162 [1,1,0,0,0,0|2,0,0]=4 2423 B15R2.17667 C=CCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000210623 [1,1,0,0,0,0|0,0,2]=4 2424 B15R2.17667 C=CCNC1CCc2c1c(ccc2)Br 34a_100103168669_100015514636 [1,1,0,0,0,0|0,0,2]=4 2425 B15R2.17667 CCCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000210303 [1,1,0,0,0,0|0,0,2]=4 2426 B15R2.17667 CCCNC1CCc2c1c(ccc2)Br 34a_100103168669_100000210303 [1,1,0,0,0,0|0,0,2]=4 2427 B15R2.17667 COCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000766300 [1,1,0,0,0,0|1,0,1]=4 2428 B15R2.17667 CSCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100011218213 [1,1,0,0,0,0|1,0,1]=4 2429 B15R2.17667 CSCNC1CCc2c1c(ccc2)Br 34a_100103168669_100011218213 [1,1,0,0,0,0|1,0,1]=4 2430 B15R2.17667 FCCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100011217306 [1,1,0,0,0,0|1,0,1]=4 2431 B15R2.17667 FCCNC1CCc2c1c(ccc2)Br 34a_100103168669_100011217306 [1,1,0,0,0,0|1,0,1]=4 2432 B15R2.17667 N#CCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100011215382 [1,1,0,0,0,0|1,0,0]=3 2433 B15R2.17667 N#CCN[C@@H]1COc2c1c(ccc2)F 2230a_200015272058_100011215382 [1,1,0,0,0,0|2,0,0]=4 2434 B15R2.17667 O=CCNC1CCc2c1c(ccc2)Br 2230a_100103168669_200015260668 [1,1,0,0,0,0|1,0,1]=4 2435 B15R2.17667 O=CCNC1CCc2c1c(ccc2)Br 34a_100103168669_200009817547 [1,1,0,0,0,0|1,0,1]=4 2436 B15R2.17667 OCCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000211926 [1,1,0,0,0,0|1,0,1]=4 2437 B15R2.17667 OCCNC1CCc2c1c(ccc2)Br 34a_100103168669_100000211926 [1,1,0,0,0,0|1,0,1]=4 2438 B15R2.17719 C#CCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000038162 [1,1,0,0,0,0|0,0,0]=2 2439 B15R2.17719 C#CCNC1CCc2c1cc(cc2)Br 34a_100011435097_100000184674 [1,1,0,0,0,0|0,0,0]=2 2440 B15R2.17719 C#CCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000038162 [1,1,0,0,0,0|0,0,0]=2 2441 B15R2.17719 C#CCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100000184674 [1,1,0,0,0,0|0,0,0]=2 2442 B15R2.17719 C#CCNC1CCc2c1cc(cc2)F 2230a_100000752734_100000038162 [1,1,0,0,0,0|0,0,0]=2 2443 B15R2.17719 C#CCNC1CCc2c1cc(cc2)F 34a_100000752734_100000184674 [1,1,0,0,0,0|0,0,0]=2 2444 B15R2.17719 C#CCNC1COc2c1cc(cc2)Cl 2230a_100000705955_100000038162 [1,1,0,0,0,0|1,0,0]=3 2445 B15R2.17719 C#CCN[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_100000038162 [1,1,0,0,0,0|1,0,0]=3 2446 B15R2.17719 C#CCN[C@@H]1COc2c1cc(cc2)F 34a_100161114692_100000184674 [1,1,0,0,0,0|1,0,0]=3 2447 B15R2.17719 C#CCOC1CCc2c1cc(cc2)Br 34a_100011836024_100000184674 [1,1,0,0,0,0|1,0,0]=3 2448 B15R2.17719 C#CCOC1CCc2c1cc(cc2)Br 7a_100011836024_100000038162 [1,1,0,0,0,0|1,0,0]=3 2449 B15R2.17719 C=CCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000210623 [1,1,0,0,0,0|0,0,2]=4 2450 B15R2.17719 C=CCNC1CCc2c1cc(cc2)Br 34a_100011435097_100015514636 [1,1,0,0,0,0|0,0,2]=4 2451 B15R2.17719 C=CCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000210623 [1,1,0,0,0,0|0,0,2]=4 2452 B15R2.17719 C=CCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100015514636 [1,1,0,0,0,0|0,0,2]=4 2453 B15R2.17719 C=CCNC1CCc2c1cc(cc2)F 2230a_100000752734_100000210623 [1,1,0,0,0,0|0,0,2]=4 2454 B15R2.17719 C=CCNC1CCc2c1cc(cc2)F 34a_100000752734_100015514636 [1,1,0,0,0,0|0,0,2]=4 2455 B15R2.17719 CCCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000210303 [1,1,0,0,0,0|0,0,2]=4 2456 B15R2.17719 CCCNC1CCc2c1cc(cc2)Br 269862a_100020643023_100000759401 [1,1,0,0,0,0|0,0,2]=4 2457 B15R2.17719 CCCNC1CCc2c1cc(cc2)Br 34a_100011435097_100000210303 [1,1,0,0,0,0|0,0,2]=4 2458 B15R2.17719 CCCNC1CCc2c1cc(cc2)C 269862a_100020643023_100000753597 [1,1,0,0,0,0|0,0,2]=4 2459 B15R2.17719 CCCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000210303 [1,1,0,0,0,0|0,0,2]=4 2460 B15R2.17719 CCCNC1CCc2c1cc(cc2)Cl 269862a_100020643023_100000759629 [1,1,0,0,0,0|0,0,2]=4 2461 B15R2.17719 CCCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100000210303 [1,1,0,0,0,0|0,0,2]=4 2462 B15R2.17719 CCCNC1CCc2c1cc(cc2)F 2230a_100000752734_100000210303 [1,1,0,0,0,0|0,0,2]=4 2463 B15R2.17719 CCCNC1CCc2c1cc(cc2)F 269862a_100020643023_100000759630 [1,1,0,0,0,0|0,0,2]=4 2464 B15R2.17719 CCCNC1CCc2c1cc(cc2)F 34a_100000752734_100000210303 [1,1,0,0,0,0|0,0,2]=4 2465 B15R2.17719 CCCNC1CCc2c1cc(cc2)I 269862a_100020643023_100011356848 [1,1,0,0,0,0|0,0,2]=4 2466 B15R2.17719 COCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000766300 [1,1,0,0,0,0|1,0,1]=4 2467 B15R2.17719 COCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000766300 [1,1,0,0,0,0|1,0,1]=4 2468 B15R2.17719 COCNC1CCc2c1cc(cc2)F 2230a_100000752734_100000766300 [1,1,0,0,0,0|1,0,1]=4 2469 B15R2.17719 CSCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100011218213 [1,1,0,0,0,0|1,0,1]=4 2470 B15R2.17719 CSCNC1CCc2c1cc(cc2)Br 34a_100011435097_100011218213 [1,1,0,0,0,0|1,0,1]=4 2471 B15R2.17719 CSCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100011218213 [1,1,0,0,0,0|1,0,1]=4 2472 B15R2.17719 CSCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100011218213 [1,1,0,0,0,0|1,0,1]=4 2473 B15R2.17719 CSCNC1CCc2c1cc(cc2)F 2230a_100000752734_100011218213 [1,1,0,0,0,0|1,0,1]=4 2474 B15R2.17719 CSCNC1CCc2c1cc(cc2)F 34a_100000752734_100011218213 [1,1,0,0,0,0|1,0,1]=4 2475 B15R2.17719 Cc1ccc2c(c1)C(CC2)NCCF 269862a_100000724931_100000753597 [1,1,0,0,0,0|1,0,1]=4 2476 B15R2.17719 Cc1ccc2c(c1)C(CC2)NCCO 269862a_100000210304_100000753597 [1,1,0,0,0,0|1,0,1]=4 2477 B15R2.17719 FCCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100011217306 [1,1,0,0,0,0|1,0,1]=4 2478 B15R2.17719 FCCNC1CCc2c1cc(cc2)Br 269862a_100000724931_100000759401 [1,1,0,0,0,0|1,0,1]=4 2479 B15R2.17719 FCCNC1CCc2c1cc(cc2)Br 34a_100011435097_100011217306 [1,1,0,0,0,0|1,0,1]=4 2480 B15R2.17719 FCCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100011217306 [1,1,0,0,0,0|1,0,1]=4 2481 B15R2.17719 FCCNC1CCc2c1cc(cc2)Cl 269862a_100000724931_100000759629 [1,1,0,0,0,0|1,0,1]=4 2482 B15R2.17719 FCCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100011217306 [1,1,0,0,0,0|1,0,1]=4 2483 B15R2.17719 FCCNC1CCc2c1cc(cc2)F 2230a_100000752734_100011217306 [1,1,0,0,0,0|1,0,1]=4 2484 B15R2.17719 FCCNC1CCc2c1cc(cc2)F 269862a_100000724931_100000759630 [1,1,0,0,0,0|1,0,1]=4 2485 B15R2.17719 FCCNC1CCc2c1cc(cc2)F 34a_100000752734_100011217306 [1,1,0,0,0,0|1,0,1]=4 2486 B15R2.17719 FCCNC1CCc2c1cc(cc2)I 269862a_100000724931_100011356848 [1,1,0,0,0,0|1,0,1]=4 2487 B15R2.17719 N#CCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100011215382 [1,1,0,0,0,0|1,0,0]=3 2488 B15R2.17719 N#CCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100011215382 [1,1,0,0,0,0|1,0,0]=3 2489 B15R2.17719 N#CCNC1CCc2c1cc(cc2)F 2230a_100000752734_100011215382 [1,1,0,0,0,0|1,0,0]=3 2490 B15R2.17719 N#CCNC1COc2c1cc(cc2)Cl 2230a_100000705955_100011215382 [1,1,0,0,0,0|2,0,0]=4 2491 B15R2.17719 N#CCN[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_100011215382 [1,1,0,0,0,0|2,0,0]=4 2492 B15R2.17719 N#CCOC1CCc2c1cc(cc2)Br 7a_100011836024_100011215382 [1,1,0,0,0,0|2,0,0]=4 2493 B15R2.17719 O=CCNC1CCc2c1cc(cc2)Br 2230a_100011435097_200015260668 [1,1,0,0,0,0|1,0,1]=4 2494 B15R2.17719 O=CCNC1CCc2c1cc(cc2)Br 34a_100011435097_200009817547 [1,1,0,0,0,0|1,0,1]=4 2495 B15R2.17719 O=CCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_200015260668 [1,1,0,0,0,0|1,0,1]=4 2496 B15R2.17719 O=CCNC1CCc2c1cc(cc2)Cl 34a_100016987686_200009817547 [1,1,0,0,0,0|1,0,1]=4 2497 B15R2.17719 O=CCNC1CCc2c1cc(cc2)F 2230a_100000752734_200015260668 [1,1,0,0,0,0|1,0,1]=4 2498 B15R2.17719 O=CCNC1CCc2c1cc(cc2)F 34a_100000752734_200009817547 [1,1,0,0,0,0|1,0,1]=4 2499 B15R2.17719 OCCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000211926 [1,1,0,0,0,0|1,0,1]=4 2500 B15R2.17719 OCCNC1CCc2c1cc(cc2)Br 269862a_100000210304_100000759401 [1,1,0,0,0,0|1,0,1]=4 2501 B15R2.17719 OCCNC1CCc2c1cc(cc2)Br 34a_100011435097_100000211926 [1,1,0,0,0,0|1,0,1]=4 2502 B15R2.17719 OCCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000211926 [1,1,0,0,0,0|1,0,1]=4 2503 B15R2.17719 OCCNC1CCc2c1cc(cc2)Cl 269862a_100000210304_100000759629 [1,1,0,0,0,0|1,0,1]=4 2504 B15R2.17719 OCCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100000211926 [1,1,0,0,0,0|1,0,1]=4 2505 B15R2.17719 OCCNC1CCc2c1cc(cc2)F 2230a_100000752734_100000211926 [1,1,0,0,0,0|1,0,1]=4 2506 B15R2.17719 OCCNC1CCc2c1cc(cc2)F 269862a_100000210304_100000759630 [1,1,0,0,0,0|1,0,1]=4 2507 B15R2.17719 OCCNC1CCc2c1cc(cc2)F 34a_100000752734_100000211926 [1,1,0,0,0,0|1,0,1]=4 2508 B15R2.17719 OCCNC1CCc2c1cc(cc2)I 269862a_100000210304_100011356848 [1,1,0,0,0,0|1,0,1]=4 2509 B15R2.19653 C#CCOC1(CCc2c1cccc2)C 34a_100000685031_100000184674 [1,1,0,0,0,0|1,0,0]=3 2510 B15R2.19653 C#CCOC1(CCc2c1cccc2)C 7a_100000685031_100000038162 [1,1,0,0,0,0|1,0,0]=3 2511 B15R2.19653 CC1(CCc2c1cccc2)OCC#N 7a_100000685031_100011215382 [1,1,0,0,0,0|2,0,0]=4 2512 B15R2.74 CCN(CC)C1CCc2c1cccc2 2230a_100000724800_200000721974 [1,1,0,0,0,0|0,0,1]=3 2513 B15R2.74 CCN(CC)C1CCc2c1cccc2 269956a_100000042499_200000721974 [1,1,0,0,0,0|0,0,1]=3 2514 B15R2.74 CCN(CC)C1CCc2c1cccc2 269982a_100000724800_200000721974 [1,1,0,0,0,0|0,0,1]=3 2515 B15R2.1255 CC(C)N(C)C1CCc2c1cccc2 269982a_200000211004_200000721974 [1,1,0,0,0,0|0,0,1]=3 2516 B15R2.23388 CCN(C)C1CC(=O)c2c1cccc2 2230a_100000225621_100010208147 [1,1,0,0,0,0|0,0,2]=4 2517 B15R2.23388 CCN(C)C1CC(=O)c2c1cccc2 269982a_100000225621_100010208147 [1,1,0,0,0,0|0,0,2]=4 2518 B15R2.7741 C#CCN(CC)C1CCn2c1ncc2 270004a_100000744766_100009824702 [0,1,0,0,1,0|2,0,0]=4 2519 B15R2.44742 C#CCN(CC)C1Cc2c1cccc2 269982a_100000744766_100009813401 [0,1,0,0,1,0|0,0,0]=2 2520 B15R2.44742 CCCN(CC)C1Cc2c1cccc2 269982a_100000226822_100009813401 [0,1,0,0,1,0|0,0,2]=4 2521 B15R2.44742 CCN(CCO)C1Cc2c1cccc2 269982a_100000210973_100009813401 [0,1,0,0,1,0|1,0,1]=4 2522 B15R2.92869 C#CCCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000753159 [0,1,0,0,1,0|2,0,0]=4 2523 B15R2.92869 C#CCNC(=O)C1Cc2c1cccc2 11a_100000212058_200000238571 [0,1,0,0,1,0|2,0,0]=4 2524 B15R2.92869 C#CCNC(=O)C1Cc2c1cccc2 1626a_100000212058_200000238571 [0,1,0,0,1,0|2,0,0]=4 2525 B15R2.92869 C#CCNC(=O)C1Cc2c1cccc2 240690a_100000212058_200000238571 [0,1,0,0,1,0|2,0,0]=4 2526 B15R2.92869 C#CCNC(=O)C1Cc2c1cccc2 527a_100000212058_200000238571 [0,1,0,0,1,0|2,0,0]=4 2527 B15R2.92869 C=CCCN(C)C1Cc2c1cccc2 269982a_100020639649_100009813401 [0,1,0,0,1,0|0,0,2]=4 2528 B15R2.92869 CC#CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000748600 [0,1,0,0,1,0|2,0,0]=4 2529 B15R2.92869 CCCCN(C)C1Cc2c1cccc2 269982a_100000207549_100009813401 [0,1,0,0,1,0|0,0,2]=4 2530 B15R2.92869 CN(CCCO)C1Cc2c1cccc2 269982a_100000213112_100009813401 [0,1,0,0,1,0|0,0,2]=4 2531 B15R2.92869 COCCN(C)C1Cc2c1cccc2 269982a_100000743101_100009813401 [0,1,0,0,1,0|0,0,2]=4 2532 B15R2.92869 CSCCN(C)C1Cc2c1cccc2 269982a_100000686725_100009813401 [0,1,0,0,1,0|0,0,2]=4 2533 B15R2.93812 C#CC(C)C(=O)C1Cc2c1cccc2 1458a_200000238571_200000035995 [0,1,0,0,1,0|2,0,0]=4 2534 B15R2.93812 CC(CO)N(C)C1Cc2c1cccc2 269982a_100000693034_100009813401 [0,1,0,0,1,0|1,0,1]=4 2535 B15R2.93812 CCC(C)N(C)C1Cc2c1cccc2 269982a_100000741768_100009813401 [0,1,0,0,1,0|0,0,2]=4 2536 B15R2.133568 C=C(C)CN(C)C1Cc2c1cccc2 269982a_100000225649_100009813401 [0,1,0,0,1,0|0,0,2]=4 2537 B15R2.133568 CC(C)CN(C)C1Cc2c1cccc2 269982a_100000747067_100009813401 [0,1,0,0,1,0|0,0,2]=4 2538 B15R2.133568 CC(O)CN(C)C1Cc2c1cccc2 269982a_100000227577_100009813401 [0,1,0,0,1,0|0,0,2]=4 2539 B15R2.133568 CN(CC(=O)O)C1Cc2c1cccc2 269956a_100000746989_100009813401 [0,1,0,0,1,0|1,0,1]=4 2540 B17R2.1 CC[C@H](CC#N)NC1CCc2c1cccc2 2230a_200009818565_200000721974 [0,1,0,0,0,1|2,0,0]=4 2541 B17R2.1 CC[C@H](CC#N)NC1CCc2c1cccc2 269862a_200009818565_100000212051 [0,1,0,0,0,1|2,0,0]=4 2542 B17R2.5 C#CCCC(=O)CC1CCc2c1cccc2 1458a_100000756587_100000753159 [0,1,0,0,0,1|2,0,0]=4 2543 B17R2.5 C#CCCC(=O)N[C@H]1CCc2c1cccc2 11a_100016989578_100000692101 [0,1,0,0,0,1|2,0,0]=4 2544 B17R2.5 C#CCCC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100000692101 [0,1,0,0,0,1|2,0,0]=4 2545 B17R2.5 C#CCCC(=O)N[C@H]1CCc2c1cccc2 240690a_100016989578_100000692101 [0,1,0,0,0,1|2,0,0]=4 2546 B17R2.5 C#CCCC(=O)N[C@H]1CCc2c1cccc2 527a_100016989578_100000692101 [0,1,0,0,0,1|2,0,0]=4 2547 B17R2.5 C#CCNC(=O)CC1CCc2c1cccc2 11a_100000212058_100000756587 [0,1,0,0,0,1|2,0,0]=4 2548 B17R2.5 C#CCNC(=O)CC1CCc2c1cccc2 1626a_100000212058_100000756587 [0,1,0,0,0,1|2,0,0]=4 2549 B17R2.5 C#CCNC(=O)CC1CCc2c1cccc2 240690a_100000212058_100000756587 [0,1,0,0,0,1|2,0,0]=4 2550 B17R2.5 C#CCNC(=O)CC1CCc2c1cccc2 527a_100000212058_100000756587 [0,1,0,0,0,1|2,0,0]=4 2551 B17R2.5 C#CCNC(=O)N[C@H]1CCc2c1cccc2 2708a_100000212058_100016989578 [0,1,0,0,0,1|2,0,0]=4 2552 B17R2.5 C#CCNC(=O)N[C@H]1CCc2c1cccc2 2708a_100016989578_100000212058 [0,1,0,0,0,1|2,0,0]=4 2553 B17R2.5 C#CCNC(=O)N[C@H]1CCc2c1cccc2 273464a_100000212058_100016989578 [0,1,0,0,0,1|2,0,0]=4 2554 B17R2.5 C#CCNC(=O)N[C@H]1CCc2c1cccc2 273464a_100016989578_100000212058 [0,1,0,0,0,1|2,0,0]=4 2555 B17R2.5 C#CCNC(=O)N[C@H]1CCc2c1cccc2 512a_100000212058_100016989578 [0,1,0,0,0,1|2,0,0]=4 2556 B17R2.5 C#CCNC(=O)N[C@H]1CCc2c1cccc2 512a_100016989578_100000212058 [0,1,0,0,0,1|2,0,0]=4 2557 B17R2.5 CC#CCC(=O)CC1CCc2c1cccc2 1458a_100000756587_100000748600 [0,1,0,0,0,1|2,0,0]=4 2558 B17R2.7 C#CC(C)C(=O)CC1CCc2c1cccc2 1458a_100000756587_200000035995 [0,1,0,0,0,1|2,0,0]=4 2559 B17R2.171 C#CCC(=O)NC1CCc2c1cccc2Br 1626a_100000751068_100011220946 [0,1,0,0,0,1|2,0,0]=4 2560 B17R2.171 C#CCC(=O)NC1CCc2c1cccc2Br 527a_100000751068_100011220946 [0,1,0,0,0,1|2,0,0]=4 2561 B17R2.171 C#CCC(=O)NC1CCc2c1cccc2Cl 1626a_100000743989_100011220946 [0,1,0,0,0,1|2,0,0]=4 2562 B17R2.171 C#CCC(=O)NC1CCc2c1cccc2Cl 527a_100000743989_100011220946 [0,1,0,0,0,1|2,0,0]=4 2563 B17R2.171 C#CCC(=O)N[C@H]1CCc2c1cccc2C 1626a_100134618347_100011220946 [0,1,0,0,0,1|2,0,0]=4 2564 B17R2.171 C#CCC(=O)N[C@H]1CCc2c1cccc2C 527a_100134618347_100011220946 [0,1,0,0,0,1|2,0,0]=4 2565 B17R2.171 C#CCC(=O)N[C@H]1CCc2c1cccc2F 1626a_100015193782_100011220946 [0,1,0,0,0,1|2,0,0]=4 2566 B17R2.171 C#CCC(=O)N[C@H]1CCc2c1cccc2F 527a_100015193782_100011220946 [0,1,0,0,0,1|2,0,0]=4 2567 B17R2.171 C#CCC(=O)N[C@H]1CCc2c1cccc2O 1626a_100134616730_100011220946 [0,1,0,0,0,1|2,0,0]=4 2568 B17R2.171 C#CCC(=O)N[C@H]1CCc2c1cccc2O 527a_100134616730_100011220946 [0,1,0,0,0,1|2,0,0]=4 2569 B17R2.171 CC(CC#N)NC1CCc2c1cccc2Br 2230a_100000751068_100009813641 [0,1,0,0,0,1|2,0,0]=4 2570 B17R2.171 CC(CC#N)NC1CCc2c1cccc2Cl 2230a_100000743989_100009813641 [0,1,0,0,0,1|2,0,0]=4 2571 B17R2.171 CC(CC#N)N[C@H]1CCc2c1cccc2F 2230a_100015193782_100009813641 [0,1,0,0,0,1|2,0,0]=4 2572 B17R2.171 CC(CC#N)N[C@H]1CCc2c1cccc2O 2230a_100134616730_100009813641 [0,1,0,0,0,1|2,0,0]=4 2573 B17R2.171 CC(CC#N)O[C@H]1CCc2c1cccc2Br 7a_100010080924_100009813641 [0,1,0,0,0,1|2,0,0]=4 2574 B17R2.171 Cc1cccc2c1CCC2OC(C)CC#N 7a_100011467954_100009813641 [0,1,0,0,0,1|2,0,0]=4 2575 B17R2.171 Cc1cccc2c1CC[C@@H]2NC(C)CC#N 2230a_100134618347_100009813641 [0,1,0,0,0,1|2,0,0]=4 2576 B17R2.6026 C#CCN(C)C(=O)C1=CCc2c1cccc2 11a_100000225692_100000037392 [0,1,0,0,0,1|0,0,2]=4 2577 B17R2.6026 C#CCN(C)C(=O)C1=CCc2c1cccc2 1626a_100000225692_100000037392 [0,1,0,0,0,1|0,0,2]=4 2578 B17R2.6026 C#CCN(C)C(=O)C1C=Cc2c1cccc2 1626a_100000225692_200009832160 [0,1,0,0,0,1|0,0,2]=4 2579 B17R2.6026 C#CCN(C)C(=O)C1C=Cc2c1cccc2 527a_100000225692_200009832160 [0,1,0,0,0,1|0,0,2]=4 2580 B17R2.6026 C#CCN(C)C(=O)C1CCc2c1cccc2 11a_100000225692_100000750891 [0,1,0,0,0,1|0,0,0]=2 2581 B17R2.6026 C#CCN(C)C(=O)C1CCc2c1cccc2 1626a_100000225692_100000750891 [0,1,0,0,0,1|0,0,0]=2 2582 B17R2.6026 C#CCN(C)C(=O)C1CCc2c1cccc2 527a_100000225692_100000750891 [0,1,0,0,0,1|0,0,0]=2 2583 B17R2.6026 C=CCN(C)C(=O)C1CCc2c1cccc2 11a_100000225617_100000750891 [0,1,0,0,0,1|0,0,2]=4 2584 B17R2.6026 C=CCN(C)C(=O)C1CCc2c1cccc2 1626a_100000225617_100000750891 [0,1,0,0,0,1|0,0,2]=4 2585 B17R2.6026 C=CCN(C)C(=O)C1CCc2c1cccc2 240690a_100000225617_100000750891 [0,1,0,0,0,1|0,0,2]=4 2586 B17R2.6026 C=CCN(C)C(=O)C1CCc2c1cccc2 527a_100000225617_100000750891 [0,1,0,0,0,1|0,0,2]=4 2587 B17R2.6026 CC(CC#N)C(=O)C1CCc2c1cccc2 1458a_100000750891_100009813641 [0,1,0,0,0,1|2,0,0]=4 2588 B17R2.6026 CCCN(C)C(=O)C1CCc2c1cccc2 11a_100000747261_100000750891 [0,1,0,0,0,1|0,0,2]=4 2589 B17R2.6026 CCCN(C)C(=O)C1CCc2c1cccc2 1626a_100000747261_100000750891 [0,1,0,0,0,1|0,0,2]=4 2590 B17R2.6026 CCCN(C)C(=O)C1CCc2c1cccc2 240690a_100000747261_100000750891 [0,1,0,0,0,1|0,0,2]=4 2591 B17R2.6026 CCCN(C)C(=O)C1CCc2c1cccc2 527a_100000747261_100000750891 [0,1,0,0,0,1|0,0,2]=4 2592 B17R2.6026 CN(CC#N)C(=O)C1CCc2c1cccc2 11a_100000748184_100000750891 [0,1,0,0,0,1|1,0,0]=3 2593 B17R2.6026 CN(CC#N)C(=O)C1CCc2c1cccc2 1626a_100000748184_100000750891 [0,1,0,0,0,1|1,0,0]=3 2594 B17R2.6026 CN(CCO)C(=O)C1CCc2c1cccc2 240690a_100000210263_100000750891 [0,1,0,0,0,1|1,0,1]=4 2595 B17R2.6026 CN(CCO)C(=O)C1CCc2c1cccc2 527a_100000210263_100000750891 [0,1,0,0,0,1|1,0,1]=4 2596 B17R2.49523 C#CCC(C)OC1CC(=O)c2c1cccc2 7a_100000685586_100010208147 [0,1,0,0,0,1|1,0,1]=4 2597 B17R2.49529 C#CCC(=O)N[C@H]1c2ccccc2C[C@H]1O 527a_100000744645_100011220946 [0,1,0,0,0,1|2,0,0]=4 2598 B17R2.49529 CC(CC#N)N[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100009813641 [0,1,0,0,0,1|2,0,0]=4 2599 B17R2.50524 C#CCC(=O)NC1CCc2c1ccc(c2)Br 1626a_100000744021_100011220946 [0,1,0,0,0,1|2,0,0]=4 2600 B17R2.50524 C#CCC(=O)NC1CCc2c1ccc(c2)Br 527a_100000744021_100011220946 [0,1,0,0,0,1|2,0,0]=4 2601 B17R2.50524 C#CCC(=O)NC1CCc2c1ccc(c2)C 1626a_200000746848_100011220946 [0,1,0,0,0,1|2,0,0]=4 2602 B17R2.50524 C#CCC(=O)NC1CCc2c1ccc(c2)C 527a_200000746848_100011220946 [0,1,0,0,0,1|2,0,0]=4 2603 B17R2.50524 C#CCC(=O)NC1CCc2c1ccc(c2)Cl 1626a_100000743821_100011220946 [0,1,0,0,0,1|2,0,0]=4 2604 B17R2.50524 C#CCC(=O)NC1CCc2c1ccc(c2)Cl 527a_100000743821_100011220946 [0,1,0,0,0,1|2,0,0]=4 2605 B17R2.50524 C#CCC(=O)N[C@@H]1CCc2c1ccc(c2)F 1626a_100025717273_100011220946 [0,1,0,0,0,1|2,0,0]=4 2606 B17R2.50524 C#CCC(=O)N[C@@H]1CCc2c1ccc(c2)F 527a_100025717273_100011220946 [0,1,0,0,0,1|2,0,0]=4 2607 B17R2.50524 CC(CC#N)NC1CCc2c1ccc(c2)Br 2230a_100000744021_100009813641 [0,1,0,0,0,1|2,0,0]=4 2608 B17R2.50524 CC(CC#N)NC1CCc2c1ccc(c2)Cl 2230a_100000743821_100009813641 [0,1,0,0,0,1|2,0,0]=4 2609 B17R2.50524 CC(CC#N)N[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100009813641 [0,1,0,0,0,1|2,0,0]=4 2610 B17R2.50524 CC(CC#N)OC1CCc2c1ccc(c2)Br 7a_100000747877_100009813641 [0,1,0,0,0,1|2,0,0]=4 2611 B17R2.50524 CC(CC#N)OC1CCc2c1ccc(c2)Cl 7a_100012002497_100009813641 [0,1,0,0,0,1|2,0,0]=4 2612 B17R2.50524 CC(CC#N)OC1CCc2c1ccc(c2)F 7a_100012002498_100009813641 [0,1,0,0,0,1|2,0,0]=4 2613 B17R2.50524 Cc1ccc2c(c1)CCC2NC(C)CC#N 2230a_200000746848_100009813641 [0,1,0,0,0,1|2,0,0]=4 2614 B17R2.50524 Cc1ccc2c(c1)CCC2OC(C)CC#N 7a_100000103036_100009813641 [0,1,0,0,0,1|2,0,0]=4 2615 B17R2.75185 CC(CC#N)OC1(CCc2c1cccc2)C 7a_100000685031_100009813641 [0,1,0,0,0,1|2,0,0]=4 2616 B17R2.443960 C#CCC(=O)CC1CCc2c1cc(cc2)F 1458a_200009856706_100000184674 [0,1,0,0,0,1|2,0,0]=4 2617 B17R2.443960 C#CCC(=O)NC1CCc2c1cc(cc2)Br 1626a_100011435097_100011220946 [0,1,0,0,0,1|2,0,0]=4 2618 B17R2.443960 C#CCC(=O)NC1CCc2c1cc(cc2)Br 527a_100011435097_100011220946 [0,1,0,0,0,1|2,0,0]=4 2619 B17R2.443960 C#CCC(=O)NC1CCc2c1cc(cc2)Cl 1626a_100016987686_100011220946 [0,1,0,0,0,1|2,0,0]=4 2620 B17R2.443960 C#CCC(=O)NC1CCc2c1cc(cc2)Cl 527a_100016987686_100011220946 [0,1,0,0,0,1|2,0,0]=4 2621 B17R2.443960 C#CCC(=O)NC1CCc2c1cc(cc2)F 1626a_100000752734_100011220946 [0,1,0,0,0,1|2,0,0]=4 2622 B17R2.443960 C#CCC(=O)NC1CCc2c1cc(cc2)F 527a_100000752734_100011220946 [0,1,0,0,0,1|2,0,0]=4 2623 B17R2.443960 CC(CC#N)NC1CCc2c1cc(cc2)Br 2230a_100011435097_100009813641 [0,1,0,0,0,1|2,0,0]=4 2624 B17R2.443960 CC(CC#N)NC1CCc2c1cc(cc2)Cl 2230a_100016987686_100009813641 [0,1,0,0,0,1|2,0,0]=4 2625 B17R2.443960 CC(CC#N)NC1CCc2c1cc(cc2)F 2230a_100000752734_100009813641 [0,1,0,0,0,1|2,0,0]=4 2626 B17R2.443960 CC(CC#N)OC1CCc2c1cc(cc2)Br 7a_100011836024_100009813641 [0,1,0,0,0,1|2,0,0]=4 2627 B17R2.443997 C#CCC(=O)NC1CCc2c1c(ccc2)Br 1626a_100103168669_100011220946 [0,1,0,0,0,1|2,0,0]=4 2628 B17R2.443997 C#CCC(=O)NC1CCc2c1c(ccc2)Br 527a_100103168669_100011220946 [0,1,0,0,0,1|2,0,0]=4 2629 B17R2.443997 CC(CC#N)NC1CCc2c1c(ccc2)Br 2230a_100103168669_100009813641 [0,1,0,0,0,1|2,0,0]=4 2630 B17R2.2104 C#CCCC(=O)C1CCc2ccccc2C1 1458a_100011217706_100000753159 [0,1,0,0,0,1|2,0,0]=4 2631 B17R2.2104 C#CCCC(=O)C1CCc2ccccc2O1 1458a_100000065239_100000753159 [0,1,0,0,0,1|2,0,0]=4 2632 B17R2.2104 C#CCNC(=O)C1CCc2ccccc2C1 11a_100000212058_100011217706 [0,1,0,0,0,1|2,0,0]=4 2633 B17R2.2104 C#CCNC(=O)C1CCc2ccccc2C1 1626a_100000212058_100011217706 [0,1,0,0,0,1|2,0,0]=4 2634 B17R2.2104 C#CCNC(=O)C1CCc2ccccc2C1 240690a_100000212058_100011217706 [0,1,0,0,0,1|2,0,0]=4 2635 B17R2.2104 C#CCNC(=O)C1CCc2ccccc2C1 527a_100000212058_100011217706 [0,1,0,0,0,1|2,0,0]=4 2636 B17R2.2104 C#CCNC(=O)C1CCc2ccccc2O1 11a_100000212058_100000065239 [0,1,0,0,0,1|2,0,0]=4 2637 B17R2.2104 C#CCNC(=O)C1CCc2ccccc2O1 1626a_100000212058_100000065239 [0,1,0,0,0,1|2,0,0]=4 2638 B17R2.2104 C#CCNC(=O)C1CCc2ccccc2O1 240690a_100000212058_100000065239 [0,1,0,0,0,1|2,0,0]=4 2639 B17R2.2104 C#CCNC(=O)C1CCc2ccccc2O1 527a_100000212058_100000065239 [0,1,0,0,0,1|2,0,0]=4 2640 B17R2.2104 C#CCNC(C)C1COc2ccccc2O1 2230a_100015185755_100000038162 [0,1,0,0,0,1|2,0,0]=4 2641 B17R2.2104 C#CCNC(C)C1COc2ccccc2O1 34a_100015185755_100000184674 [0,1,0,0,0,1|2,0,0]=4 2642 B17R2.2104 C=CCCN(C)C1CCc2ccccc2C1 270004a_100020639649_100000212018 [0,1,0,0,0,1|0,0,2]=4 2643 B17R2.2104 CC#CCC(=O)C1CCc2ccccc2C1 1458a_100011217706_100000748600 [0,1,0,0,0,1|2,0,0]=4 2644 B17R2.2104 CC#CCC(=O)C1CCc2ccccc2O1 1458a_100000065239_100000748600 [0,1,0,0,0,1|2,0,0]=4 2645 B17R2.2104 CCCCN(C)C1CCc2ccccc2C1 270004a_100000207549_100000212018 [0,1,0,0,0,1|0,0,2]=4 2646 B17R2.2104 CN(CCC#N)C1CCc2ccccc2C1 270004a_100000184479_100000212018 [0,1,0,0,0,1|0,0,1]=3 2647 B17R2.2104 CN(CCC#N)C1COc2ccccc2C1 270004a_100000184479_100000048293 [0,1,0,0,0,1|1,0,1]=4 2648 B17R2.2104 CN(CCCO)C1CCc2ccccc2C1 270004a_100000213112_100000212018 [0,1,0,0,0,1|0,0,2]=4 2649 B17R2.2104 COCCN(C)C1CCc2ccccc2C1 270004a_100000743101_100000212018 [0,1,0,0,0,1|0,0,2]=4 2650 B17R2.2104 CSCCN(C)C1CCc2ccccc2C1 270004a_100000686725_100000212018 [0,1,0,0,0,1|0,0,2]=4 2651 B17R2.2238 C#CC(C)C(=O)C1CCc2ccccc2C1 1458a_100011217706_200000035995 [0,1,0,0,0,1|2,0,0]=4 2652 B17R2.2238 C#CC(C)C(=O)C1CCc2ccccc2O1 1458a_100000065239_200000035995 [0,1,0,0,0,1|2,0,0]=4 2653 B17R2.2238 CC(C#N)N(C)C1CCc2ccccc2C1 270004a_100000745055_100000212018 [0,1,0,0,0,1|1,0,0]=3 2654 B17R2.2238 CC(C#N)N(C)C1COc2ccccc2C1 270004a_100000745055_100000048293 [0,1,0,0,0,1|2,0,0]=4 2655 B17R2.2238 CC(CO)N(C)C1CCc2ccccc2C1 270004a_100000693034_100000212018 [0,1,0,0,0,1|1,0,1]=4 2656 B17R2.2238 CCC(C)N(C)C1CCc2ccccc2C1 270004a_100000741768_100000212018 [0,1,0,0,0,1|0,0,2]=4 2657 B17R2.3604 C#CCN(CC)C1CCc2ccccc2C1 270004a_100000744766_100000212018 [0,1,0,0,0,1|0,0,0]=2 2658 B17R2.3604 C#CCN(CC)C1COc2ccccc2C1 270004a_100000744766_100000048293 [0,1,0,0,0,1|1,0,0]=3 2659 B17R2.3604 CCCN(CC)C1CCc2ccccc2C1 2230a_100000744008_100000210202 [0,1,0,0,0,1|0,0,2]=4 2660 B17R2.3604 CCCN(CC)C1CCc2ccccc2C1 269982a_100000744008_100000204670 [0,1,0,0,0,1|0,0,2]=4 2661 B17R2.3604 CCCN(CC)C1CCc2ccccc2C1 270004a_100000226822_100000212018 [0,1,0,0,0,1|0,0,2]=4 2662 B17R2.3604 CCCN(CC)C1CCc2ccccc2C1 34a_100000744008_100000210202 [0,1,0,0,0,1|0,0,2]=4 2663 B17R2.3604 CCCN(CF)C1CCc2ccccc2C1 269982a_100000744008_100015361967 [0,1,0,0,0,1|0,0,2]=4 2664 B17R2.3604 CCCN(CF)C1CCc2ccccc2C1 34a_100000744008_100015361967 [0,1,0,0,0,1|0,0,2]=4 2665 B17R2.3604 CCN(CCO)C1CCc2ccccc2C1 270004a_100000210973_100000212018 [0,1,0,0,0,1|1,0,1]=4 2666 B17R2.6194 C#CCC(=O)C1CCc2ccc(cc2C1)O 1458a_100000087082_100000184674 [0,1,0,0,0,1|2,0,0]=4 2667 B17R2.6194 C#CCC(=O)C1CCc2ccc(cc2O1)O 1458a_100000099368_100000184674 [0,1,0,0,0,1|2,0,0]=4 2668 B17R2.6194 C#CCN(C)C1CCc2ccc(cc2C1)Br 270004a_100000225692_100010138410 [0,1,0,0,0,1|0,0,0]=2 2669 B17R2.6194 C#CCN(C)C1CCc2ccc(cc2C1)Cl 270004a_100000225692_100000117158 [0,1,0,0,0,1|0,0,0]=2 2670 B17R2.6194 C#CCN(C)C1CCc2ccc(cc2C1)O 270004a_100000225692_200000081095 [0,1,0,0,0,1|0,0,0]=2 2671 B17R2.6194 C=CCN(C)C1CCc2ccc(cc2C1)Br 270004a_100000225617_100010138410 [0,1,0,0,0,1|0,0,2]=4 2672 B17R2.6194 C=CCN(C)C1CCc2ccc(cc2C1)Cl 270004a_100000225617_100000117158 [0,1,0,0,0,1|0,0,2]=4 2673 B17R2.6194 C=CCN(C)C1CCc2ccc(cc2C1)O 270004a_100000225617_200000081095 [0,1,0,0,0,1|0,0,2]=4 2674 B17R2.6194 CCCN(C)C1CCc2ccc(cc2C1)Br 270004a_100000747261_100010138410 [0,1,0,0,0,1|0,0,2]=4 2675 B17R2.6194 CCCN(C)C1CCc2ccc(cc2C1)Cl 270004a_100000747261_100000117158 [0,1,0,0,0,1|0,0,2]=4 2676 B17R2.6194 CCCN(C)C1CCc2ccc(cc2C1)O 270004a_100000747261_200000081095 [0,1,0,0,0,1|0,0,2]=4 2677 B17R2.6194 CN(CCO)C1CCc2ccc(cc2C1)Br 270004a_100000210263_100010138410 [0,1,0,0,0,1|1,0,1]=4 2678 B17R2.6194 CN(CCO)C1CCc2ccc(cc2C1)Cl 270004a_100000210263_100000117158 [0,1,0,0,0,1|1,0,1]=4 2679 B17R2.6194 CN(CCO)C1CCc2ccc(cc2C1)O 270004a_100000210263_200000081095 [0,1,0,0,0,1|1,0,1]=4 2680 B17R2.6202 C#CCN(C)C1CCc2cccc(c2C1)Br 270004a_100000225692_100010006498 [0,1,0,0,0,1|0,0,0]=2 2681 B17R2.6202 C=CCN(C)C1CCc2cccc(c2C1)Br 270004a_100000225617_100010006498 [0,1,0,0,0,1|0,0,2]=4 2682 B17R2.6202 CCCN(C)C1CCc2cccc(c2C1)Br 270004a_100000747261_100010006498 [0,1,0,0,0,1|0,0,2]=4 2683 B17R2.6202 CN(CCO)C1CCc2cccc(c2C1)Br 270004a_100000210263_100010006498 [0,1,0,0,0,1|1,0,1]=4 2684 B17R2.6222 C#CCC(=O)C1CCc2ccccc2C1=O 1458a_100011220946_100000229917 [0,1,0,0,0,1|2,0,0]=4 2685 B17R2.6222 C#CCC(=O)C1CCc2ccccc2N1C 1458a_200010885121_100000184674 [0,1,0,0,0,1|2,0,0]=4 2686 B17R2.6222 C#CCN(C)C1CCc2ccccc2C1=O 2230a_100000225692_100000229917 [0,1,0,0,0,1|0,0,0]=2 2687 B17R2.6222 C#CCN(C)C1CCc2ccccc2C1=O 34a_100000225692_100000229917 [0,1,0,0,0,1|0,0,0]=2 2688 B17R2.6222 C=CCN(C)C1CCc2ccccc2C1=O 2230a_100000225617_100000229917 [0,1,0,0,0,1|0,0,2]=4 2689 B17R2.6222 C=CCN(C)C1CCc2ccccc2C1=O 269982a_100000225617_100000229917 [0,1,0,0,0,1|0,0,2]=4 2690 B17R2.6222 CCCN(C)C1CCc2ccccc2C1=O 2230a_100000747261_100000229917 [0,1,0,0,0,1|0,0,2]=4 2691 B17R2.6222 CCCN(C)C1CCc2ccccc2C1=O 269982a_100000747261_100000229917 [0,1,0,0,0,1|0,0,2]=4 2692 B17R2.6222 CN(CC#N)C1CCc2ccccc2C1=O 2230a_100000748184_100000229917 [0,1,0,0,0,1|1,0,0]=3 2693 B17R2.6222 CN(CCO)C1CCc2ccccc2C1=O 2230a_100000210263_100000229917 [0,1,0,0,0,1|1,0,1]=4 2694 B17R2.6222 CN(CCO)C1CCc2ccccc2C1=O 269982a_100000210263_100000229917 [0,1,0,0,0,1|1,0,1]=4 2695 B17R2.18967 C=C(C)CN(C)C1CCc2ccccc2C1 270004a_100000225649_100000212018 [0,1,0,0,0,1|0,0,2]=4 2696 B17R2.18967 CC(C)CN(C)C1CCc2ccccc2C1 270004a_100000747067_100000212018 [0,1,0,0,0,1|0,0,2]=4 2697 B17R2.18967 CC(O)CN(C)C1CCc2ccccc2C1 270004a_100000227577_100000212018 [0,1,0,0,0,1|0,0,2]=4 2698 B17R2.18967 CN(CC(=O)N)C1CCc2ccccc2C1 270004a_100000739694_100000212018 [0,1,0,0,0,1|1,0,1]=4 2699 B17R2.49831 C#CCC(=O)C1CCc2cc(ccc2O1)Br 1458a_100010185593_100000184674 [0,1,0,0,0,1|2,0,0]=4 2700 B17R2.49831 C#CCC(=O)C1CCc2cc(ccc2O1)F 1458a_100000086301_100000184674 [0,1,0,0,0,1|2,0,0]=4 2701 B17R2.49831 C#CCN(C)C1CCc2cc(ccc2C1)Br 270004a_100000225692_100000753102 [0,1,0,0,0,1|0,0,0]=2 2702 B17R2.49831 C#CCN(C)C1CCc2cc(ccc2C1)Cl 270004a_100000225692_100000067585 [0,1,0,0,0,1|0,0,0]=2 2703 B17R2.49831 C#CCN(C)C1CCc2cc(ccc2C1)F 270004a_100000225692_100000067110 [0,1,0,0,0,1|0,0,0]=2 2704 B17R2.49831 C#CCN(C)C1CCc2cc(ccc2C1)O 270004a_100000225692_100009852394 [0,1,0,0,0,1|0,0,0]=2 2705 B17R2.49831 C=CCN(C)C1CCc2cc(ccc2C1)Br 270004a_100000225617_100000753102 [0,1,0,0,0,1|0,0,2]=4 2706 B17R2.49831 C=CCN(C)C1CCc2cc(ccc2C1)Cl 270004a_100000225617_100000067585 [0,1,0,0,0,1|0,0,2]=4 2707 B17R2.49831 C=CCN(C)C1CCc2cc(ccc2C1)F 270004a_100000225617_100000067110 [0,1,0,0,0,1|0,0,2]=4 2708 B17R2.49831 C=CCN(C)C1CCc2cc(ccc2C1)O 270004a_100000225617_100009852394 [0,1,0,0,0,1|0,0,2]=4 2709 B17R2.49831 CCCN(C)C1CCc2cc(ccc2C1)Br 270004a_100000747261_100000753102 [0,1,0,0,0,1|0,0,2]=4 2710 B17R2.49831 CCCN(C)C1CCc2cc(ccc2C1)Cl 270004a_100000747261_100000067585 [0,1,0,0,0,1|0,0,2]=4 2711 B17R2.49831 CCCN(C)C1CCc2cc(ccc2C1)F 270004a_100000747261_100000067110 [0,1,0,0,0,1|0,0,2]=4 2712 B17R2.49831 CCCN(C)C1CCc2cc(ccc2C1)O 270004a_100000747261_100009852394 [0,1,0,0,0,1|0,0,2]=4 2713 B17R2.49831 CN(CCO)C1CCc2cc(ccc2C1)Br 270004a_100000210263_100000753102 [0,1,0,0,0,1|1,0,1]=4 2714 B17R2.49831 CN(CCO)C1CCc2cc(ccc2C1)Cl 270004a_100000210263_100000067585 [0,1,0,0,0,1|1,0,1]=4 2715 B17R2.49831 CN(CCO)C1CCc2cc(ccc2C1)F 270004a_100000210263_100000067110 [0,1,0,0,0,1|1,0,1]=4 2716 B17R2.49831 CN(CCO)C1CCc2cc(ccc2C1)O 270004a_100000210263_100009852394 [0,1,0,0,0,1|1,0,1]=4 2717 B17R2.325632 C#CCN(C)C1CCc2c(cccc2C1)Br 270004a_100000225692_100010138409 [0,1,0,0,0,1|0,0,0]=2 2718 B17R2.325632 C=CCN(C)C1CCc2c(cccc2C1)Br 270004a_100000225617_100010138409 [0,1,0,0,0,1|0,0,2]=4 2719 B17R2.325632 CCCN(C)C1CCc2c(cccc2C1)Br 270004a_100000747261_100010138409 [0,1,0,0,0,1|0,0,2]=4 2720 B17R2.325632 CCCN(C)C1CCc2c(cccc2C1)O 2230a_100010218725_200000210301 [0,1,0,0,0,1|0,0,2]=4 2721 B17R2.325632 CCCN(C)C1CCc2c(cccc2C1)O 269982a_100010218725_200000210301 [0,1,0,0,0,1|0,0,2]=4 2722 B17R2.325632 CCCN(C)C1CCc2c(cccc2C1)O 34a_100010218725_200000210301 [0,1,0,0,0,1|0,0,2]=4 2723 B17R2.325632 CCCN([13CH3])C1CCc2c(cccc2C1)O 2230a_100010218725_200025704644 [0,1,0,0,0,1|0,0,2]=4 2724 B17R2.325632 CCCN([13CH3])C1CCc2c(cccc2C1)O 269982a_100010218725_200025704644 [0,1,0,0,0,1|0,0,2]=4 2725 B17R2.325632 CCCN([13CH3])C1CCc2c(cccc2C1)O 34a_100010218725_200025704644 [0,1,0,0,0,1|0,0,2]=4 2726 B17R2.325632 CN(CCO)C1CCc2c(cccc2C1)Br 270004a_100000210263_100010138409 [0,1,0,0,0,1|1,0,1]=4 2727 B17R2.440810 C#CCCC(=O)C1CCCc2c1cccc2 1458a_100011198263_100000753159 [0,1,0,0,0,1|2,0,0]=4 2728 B17R2.440810 C#CCCC(=O)C1OCCc2c1cccc2 1458a_100000026751_100000753159 [0,1,0,0,0,1|2,0,0]=4 2729 B17R2.440810 C#CCCN(C)C1CCCc2c1cccc2 2230a_100000185324_100000688953 [0,1,0,0,0,1|0,0,0]=2 2730 B17R2.440810 C#CCCN(C)C1CCCc2c1cccc2 269982a_100000185324_100000730999 [0,1,0,0,0,1|0,0,0]=2 2731 B17R2.440810 C#CCCN(C)C1CCCc2c1cccc2 34a_100000185324_100000688953 [0,1,0,0,0,1|0,0,0]=2 2732 B17R2.440810 C#CCNC(=O)C1CCCc2c1cccc2 11a_100000212058_100011198263 [0,1,0,0,0,1|2,0,0]=4 2733 B17R2.440810 C#CCNC(=O)C1CCCc2c1cccc2 1626a_100000212058_100011198263 [0,1,0,0,0,1|2,0,0]=4 2734 B17R2.440810 C#CCNC(=O)C1CCCc2c1cccc2 240690a_100000212058_100011198263 [0,1,0,0,0,1|2,0,0]=4 2735 B17R2.440810 C#CCNC(=O)C1CCCc2c1cccc2 527a_100000212058_100011198263 [0,1,0,0,0,1|2,0,0]=4 2736 B17R2.440810 C#CCNC(=O)C1OCCc2c1cccc2 11a_100000212058_100000026751 [0,1,0,0,0,1|2,0,0]=4 2737 B17R2.440810 C#CCNC(=O)C1OCCc2c1cccc2 1626a_100000212058_100000026751 [0,1,0,0,0,1|2,0,0]=4 2738 B17R2.440810 C#CCNC(=O)C1OCCc2c1cccc2 240690a_100000212058_100000026751 [0,1,0,0,0,1|2,0,0]=4 2739 B17R2.440810 C#CCNC(=O)C1OCCc2c1cccc2 527a_100000212058_100000026751 [0,1,0,0,0,1|2,0,0]=4 2740 B17R2.440810 C/C=C/CN(C)C1CCCc2c1cccc2 269982a_100000185324_100102629194 [0,1,0,0,0,1|0,0,2]=4 2741 B17R2.440810 C/C=C/CN(C)C1CCCc2c1cccc2 34a_100000185324_100102629194 [0,1,0,0,0,1|0,0,2]=4 2742 B17R2.440810 C=CCCN(C)C1CCCc2c1cccc2 2230a_100000185324_100000754431 [0,1,0,0,0,1|0,0,2]=4 2743 B17R2.440810 C=CCCN(C)C1CCCc2c1cccc2 269982a_100000185324_100000754431 [0,1,0,0,0,1|0,0,2]=4 2744 B17R2.440810 C=CCCN(C)C1CCCc2c1cccc2 34a_100000185324_100000754431 [0,1,0,0,0,1|0,0,2]=4 2745 B17R2.440810 CC#CCC(=O)C1CCCc2c1cccc2 1458a_100011198263_100000748600 [0,1,0,0,0,1|2,0,0]=4 2746 B17R2.440810 CC#CCC(=O)C1OCCc2c1cccc2 1458a_100000026751_100000748600 [0,1,0,0,0,1|2,0,0]=4 2747 B17R2.440810 CC#CCN(C)C1CCCc2c1cccc2 2230a_100000185324_100000748600 [0,1,0,0,0,1|0,0,0]=2 2748 B17R2.440810 CC#CCN(C)C1CCCc2c1cccc2 34a_100000185324_100000748600 [0,1,0,0,0,1|0,0,0]=2 2749 B17R2.440810 CC=CCN(C)C1CCCc2c1cccc2 2230a_100000185324_100000070051 [0,1,0,0,0,1|0,0,2]=4 2750 B17R2.440810 CC=CCN(C)C1CCCc2c1cccc2 34a_100000185324_100000070051 [0,1,0,0,0,1|0,0,2]=4 2751 B17R2.440810 CCCCN(C)C1CCCc2c1cccc2 2230a_100000185324_100000210211 [0,1,0,0,0,1|0,0,2]=4 2752 B17R2.440810 CCCCN(C)C1CCCc2c1cccc2 269982a_100000185324_100000210211 [0,1,0,0,0,1|0,0,2]=4 2753 B17R2.440810 CCCCN(C)C1CCCc2c1cccc2 34a_100000185324_100000210210 [0,1,0,0,0,1|0,0,2]=4 2754 B17R2.440810 CCOCN(C)C1CCCc2c1cccc2 269982a_100000185324_100000739092 [0,1,0,0,0,1|0,0,2]=4 2755 B17R2.440810 CN(CCC#N)C1CCCc2c1cccc2 2230a_100000185324_100011215226 [0,1,0,0,0,1|0,0,1]=3 2756 B17R2.440810 CN(CCC#N)C1CCCc2c1cccc2 269982a_100000185324_100011215226 [0,1,0,0,0,1|0,0,1]=3 2757 B17R2.440810 CN(CCCF)C1CCCc2c1cccc2 2230a_100000185324_100011934791 [0,1,0,0,0,1|0,0,2]=4 2758 B17R2.440810 CN(CCCF)C1CCCc2c1cccc2 269982a_100000185324_100011934791 [0,1,0,0,0,1|0,0,2]=4 2759 B17R2.440810 CN(CCCF)C1CCCc2c1cccc2 34a_100000185324_100011934791 [0,1,0,0,0,1|0,0,2]=4 2760 B17R2.440810 CN(CCCO)C1CCCc2c1cccc2 2230a_100000185324_100000230001 [0,1,0,0,0,1|0,0,2]=4 2761 B17R2.440810 CN(CCCO)C1CCCc2c1cccc2 269982a_100000185324_100011215043 [0,1,0,0,0,1|0,0,2]=4 2762 B17R2.440810 CN(CCCO)C1CCCc2c1cccc2 34a_100000185324_100000230001 [0,1,0,0,0,1|0,0,2]=4 2763 B17R2.440810 CN(CSC#N)C1CCCc2c1cccc2 269982a_100000185324_100000211825 [0,1,0,0,0,1|1,0,0]=3 2764 B17R2.440810 COCCN(C)C1CCCc2c1cccc2 2230a_100000185324_100011201679 [0,1,0,0,0,1|0,0,2]=4 2765 B17R2.440810 COCCN(C)C1CCCc2c1cccc2 269982a_100000185324_100000233755 [0,1,0,0,0,1|0,0,2]=4 2766 B17R2.440810 COCCN(C)C1CCCc2c1cccc2 34a_100000185324_100011201679 [0,1,0,0,0,1|0,0,2]=4 2767 B17R2.440810 CSCCN(C)C1CCCc2c1cccc2 2230a_100000185324_100000751147 [0,1,0,0,0,1|0,0,2]=4 2768 B17R2.440810 CSCCN(C)C1CCCc2c1cccc2 269982a_100000185324_100000212216 [0,1,0,0,0,1|0,0,2]=4 2769 B17R2.440810 CSCCN(C)C1CCCc2c1cccc2 34a_100000185324_100000212216 [0,1,0,0,0,1|0,0,2]=4 2770 B17R2.449490 C#CC(C)C(=O)C1CCCc2c1cccc2 1458a_100011198263_200000035995 [0,1,0,0,0,1|2,0,0]=4 2771 B17R2.449490 C#CC(C)C(=O)C1OCCc2c1cccc2 1458a_100000026751_200000035995 [0,1,0,0,0,1|2,0,0]=4 2772 B17R2.449490 C#CC(C)N(C)C1CCCc2c1cccc2 34a_100000185324_200000035995 [0,1,0,0,0,1|0,0,0]=2 2773 B17R2.449490 C=CC(C)N(C)C1CCCc2c1cccc2 269982a_100000185324_100011215867 [0,1,0,0,0,1|0,0,2]=4 2774 B17R2.449490 CC(C#N)N(C)C1CCCc2c1cccc2 2230a_100000185324_100000184139 [0,1,0,0,0,1|1,0,0]=3 2775 B17R2.449490 CC(C#N)N(C)C1CCCc2c1cccc2 269982a_100000185324_100000703298 [0,1,0,0,0,1|1,0,0]=3 2776 B17R2.449490 CC(CO)N(C)C1CCCc2c1cccc2 2230a_100000185324_100012180447 [0,1,0,0,0,1|1,0,1]=4 2777 B17R2.449490 CC(CO)N(C)C1CCCc2c1cccc2 34a_100000185324_100012180447 [0,1,0,0,0,1|1,0,1]=4 2778 B17R2.449490 CCC(C)N(C)C1CCCc2c1cccc2 2230a_100000185324_100000758301 [0,1,0,0,0,1|0,0,2]=4 2779 B17R2.449490 CCC(C)N(C)C1CCCc2c1cccc2 269982a_100000185324_100000758301 [0,1,0,0,0,1|0,0,2]=4 2780 B17R2.449490 CCC(C)N(C)C1CCCc2c1cccc2 34a_100000185324_100011215416 [0,1,0,0,0,1|0,0,2]=4 2781 B17R2.449490 COC(C)N(C)C1CCCc2c1cccc2 269982a_100000185324_100009879195 [0,1,0,0,0,1|1,0,1]=4 2782 B17R2.449490 C[C@H](CO)N(C)C1CCCc2c1cccc2 269982a_100000185324_100016084084 [0,1,0,0,0,1|1,0,1]=4 2783 B17R2.712041 C=C(C)CN(C)C1CCCc2c1cccc2 2230a_100000185324_100000748629 [0,1,0,0,0,1|0,0,2]=4 2784 B17R2.712041 C=C(C)CN(C)C1CCCc2c1cccc2 269982a_100000185324_100000748629 [0,1,0,0,0,1|0,0,2]=4 2785 B17R2.712041 C=C(C)CN(C)C1CCCc2c1cccc2 34a_100000185324_100000748629 [0,1,0,0,0,1|0,0,2]=4 2786 B17R2.712041 C=C(F)CN(C)C1CCCc2c1cccc2 2230a_100000185324_100009893438 [0,1,0,0,0,1|0,0,2]=4 2787 B17R2.712041 C=C(F)CN(C)C1CCCc2c1cccc2 269982a_100000185324_100009893438 [0,1,0,0,0,1|0,0,2]=4 2788 B17R2.712041 C=C(F)CN(C)C1CCCc2c1cccc2 34a_100000185324_100009893438 [0,1,0,0,0,1|0,0,2]=4 2789 B17R2.712041 CC(C)CN(C)C1CCCc2c1cccc2 2230a_100000185324_100000210760 [0,1,0,0,0,1|0,0,2]=4 2790 B17R2.712041 CC(C)CN(C)C1CCCc2c1cccc2 269982a_100000185324_100000210624 [0,1,0,0,0,1|0,0,2]=4 2791 B17R2.712041 CC(C)CN(C)C1CCCc2c1cccc2 270004a_100000185324_100000210432 [0,1,0,0,0,1|0,0,2]=4 2792 B17R2.712041 CC(C)CN(C)C1CCCc2c1cccc2 34a_100000185324_100000210624 [0,1,0,0,0,1|0,0,2]=4 2793 B17R2.712041 CC(O)CN(C)C1CCCc2c1cccc2 2230a_100000185324_100011218427 [0,1,0,0,0,1|0,0,2]=4 2794 B17R2.712041 CC(O)CN(C)C1CCCc2c1cccc2 269982a_100000185324_100011218427 [0,1,0,0,0,1|0,0,2]=4 2795 B17R2.712041 CC(O)CN(C)C1CCCc2c1cccc2 34a_100000185324_100011218427 [0,1,0,0,0,1|0,0,2]=4 2796 B17R2.712041 CN(CC(=O)N)C1CCCc2c1cccc2 2230a_100000185324_100000747473 [0,1,0,0,0,1|1,0,1]=4 2797 B17R2.712041 CN(CC(=O)N)C1CCCc2c1cccc2 269982a_100000185324_100000187820 [0,1,0,0,0,1|1,0,1]=4 2798 B17R2.712041 CN(CC(=O)N)C1CCCc2c1cccc2 34a_100000185324_100000187820 [0,1,0,0,0,1|1,0,1]=4 2799 B17R2.712041 CN(CC(=O)[O-])C1CCCc2c1cccc2 269982a_100000185324_100020667443 [0,1,0,0,0,1|1,0,1]=4 2800 B17R2.712041 CN(CC(=O)[O-])C1CCCc2c1cccc2 34a_100000185324_100020667443 [0,1,0,0,0,1|1,0,1]=4 2801 B17R2.712041 CN(CC(F)F)C1CCCc2c1cccc2 2230a_100000185324_100011934356 [0,1,0,0,0,1|1,0,1]=4 2802 B17R2.712041 CN(CC(F)F)C1CCCc2c1cccc2 269982a_100000185324_100011934356 [0,1,0,0,0,1|1,0,1]=4 2803 B17R2.712041 CN(CC(F)F)C1CCCc2c1cccc2 34a_100000185324_100011934356 [0,1,0,0,0,1|1,0,1]=4 2804 B17R2.712041 CN(C[N+](=O)[O-])C1CCCc2c1cccc2 269982a_100000185324_100000761209 [0,1,0,0,0,1|2,0,0]=4 2805 B17R2.712041 CN(C[N+](=O)[O-])C1CCCc2c1cccc2 34a_100000185324_100000761209 [0,1,0,0,0,1|2,0,0]=4 2806 B17R2.712041 C[C@@H](O)CN(C)C1CCCc2c1cccc2 2230a_100000185324_100009817552 [0,1,0,0,0,1|0,0,2]=4 2807 B17R2.712041 C[C@@H](O)CN(C)C1CCCc2c1cccc2 269982a_100000185324_100009817552 [0,1,0,0,0,1|0,0,2]=4 2808 B17R2.712041 C[C@@H](O)CN(C)C1CCCc2c1cccc2 34a_100000185324_100009817552 [0,1,0,0,0,1|0,0,2]=4 2809 B17R2.693 C#CC(C)NC(=O)C1CCc2c1cccc2 11a_100000707721_100000750891 [0,2,0,0,0,0|2,0,0]=4 2810 B17R2.693 C#CC(C)NC(=O)C1CCc2c1cccc2 1626a_100000707721_100000750891 [0,2,0,0,0,0|2,0,0]=4 2811 B17R2.693 C#CC(C)NC(=O)C1CCc2c1cccc2 240690a_100000707721_100000750891 [0,2,0,0,0,0|2,0,0]=4 2812 B17R2.693 C#CC(C)NC(=O)C1CCc2c1cccc2 527a_100000707721_100000750891 [0,2,0,0,0,0|2,0,0]=4 2813 B17R2.693 CCC(C)CN(C)C1CCc2c1cccc2 2230a_100000753921_200000721974 [0,2,0,0,0,0|0,0,2]=4 2814 B17R2.693 CCC(C)CN(C)C1CCc2c1cccc2 269982a_100000753921_200000721974 [0,2,0,0,0,0|0,0,2]=4 2815 B17R2.693 CN(CC(O)CO)C1CCc2c1cccc2 2230a_100011216503_200000721974 [0,2,0,0,0,0|0,0,2]=4 2816 B17R2.693 CN(CC(O)CO)C1CCc2c1cccc2 269982a_100011216503_200000721974 [0,2,0,0,0,0|0,0,2]=4 2817 B17R2.693 CNC(=O)CN(C)C1CCc2c1cccc2 2230a_100000189611_200000721974 [0,2,0,0,0,0|0,0,2]=4 2818 B17R2.693 COC(=O)CN(C)C1CCc2c1cccc2 2230a_100000198492_200000721974 [0,2,0,0,0,0|0,0,2]=4 2819 B17R2.877 CC(C)CCN(C)C1CCc2c1cccc2 2230a_100000742789_200000721974 [0,2,0,0,0,0|0,0,2]=4 2820 B17R2.877 CC(C)CCN(C)C1CCc2c1cccc2 269982a_100000742789_200000721974 [0,2,0,0,0,0|0,0,2]=4 2821 B17R2.877 CN(C)CCN(C)C1CCc2c1cccc2 269982a_100000225618_200000721974 [0,2,0,0,0,0|0,0,2]=4 2822 B17R2.877 CN(CCC(=O)N)C1CCc2c1cccc2 2230a_100000730477_200000721974 [0,2,0,0,0,0|0,0,2]=4 2823 B17R2.2343 C#CCCCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000731252 [0,2,0,0,0,0|2,0,0]=4 2824 B17R2.2343 C#CCCNC(=O)C1CCc2c1cccc2 11a_100000755551_100000750891 [0,2,0,0,0,0|2,0,0]=4 2825 B17R2.2343 C#CCCNC(=O)C1CCc2c1cccc2 1626a_100000755551_100000750891 [0,2,0,0,0,0|2,0,0]=4 2826 B17R2.2343 C#CCCNC(=O)C1CCc2c1cccc2 240690a_100000755551_100000750891 [0,2,0,0,0,0|2,0,0]=4 2827 B17R2.2343 C#CCCNC(=O)C1CCc2c1cccc2 527a_100000755551_100000750891 [0,2,0,0,0,0|2,0,0]=4 2828 B17R2.2343 CC#CCNC(=O)C1CCc2c1cccc2 11a_100000685387_100000750891 [0,2,0,0,0,0|2,0,0]=4 2829 B17R2.2343 CC#CCNC(=O)C1CCc2c1cccc2 1626a_100000685387_100000750891 [0,2,0,0,0,0|2,0,0]=4 2830 B17R2.2343 CC#CCNC(=O)C1CCc2c1cccc2 527a_100000685387_100000750891 [0,2,0,0,0,0|2,0,0]=4 2831 B17R2.2343 CCC#CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100009813939 [0,2,0,0,0,0|2,0,0]=4 2832 B17R2.2343 CCCCCN(C)C1CCc2c1cccc2 2230a_100000223495_200000721974 [0,2,0,0,0,0|0,0,2]=4 2833 B17R2.2343 CCCCCN(C)C1CCc2c1cccc2 269982a_100000223495_200000721974 [0,2,0,0,0,0|0,0,2]=4 2834 B17R2.2343 CN(CCCCO)C1CCc2c1cccc2 2230a_100000717598_200000721974 [0,2,0,0,0,0|0,0,2]=4 2835 B17R2.2343 CN(CCCCO)C1CCc2c1cccc2 269982a_100000717598_200000721974 [0,2,0,0,0,0|0,0,2]=4 2836 B17R2.2343 COCCCN(C)C1CCc2c1cccc2 2230a_100000224831_200000721974 [0,2,0,0,0,0|0,0,2]=4 2837 B17R2.2343 COCCCN(C)C1CCc2c1cccc2 269982a_100000224831_200000721974 [0,2,0,0,0,0|0,0,2]=4 2838 B17R2.2343 O=C(CC#CCO)C1CCc2c1cccc2 1458a_100000750891_200000047223 [0,2,0,0,0,0|2,0,0]=4 2839 B17R2.2469 CCCCN(CC)C1CCc2c1cccc2 2230a_100000207695_200000721974 [0,2,0,0,0,0|0,0,2]=4 2840 B17R2.2469 CCCCN(CC)C1CCc2c1cccc2 269982a_100000207695_200000721974 [0,2,0,0,0,0|0,0,2]=4 2841 B17R2.2469 CCN(CCC#N)C1CCc2c1cccc2 2230a_100000226048_200000721974 [0,2,0,0,0,0|0,0,1]=3 2842 B17R2.2469 CCN(CCOC)C1CCc2c1cccc2 2230a_100000731262_200000721974 [0,2,0,0,0,0|0,0,2]=4 2843 B17R2.2469 CCN(CCOC)C1CCc2c1cccc2 269982a_100000731262_200000721974 [0,2,0,0,0,0|0,0,2]=4 2844 B17R2.74368 C#CCCC(=O)C1CCc2c1ccc(c2)C 1458a_100000103084_100000753159 [0,2,0,0,0,0|2,0,0]=4 2845 B17R2.74368 C#CCNC(=O)C1CCc2c1ccc(c2)C 11a_100000212058_100000103084 [0,2,0,0,0,0|2,0,0]=4 2846 B17R2.74368 C#CCNC(=O)C1CCc2c1ccc(c2)C 1626a_100000212058_100000103084 [0,2,0,0,0,0|2,0,0]=4 2847 B17R2.74368 C#CCNC(=O)C1CCc2c1ccc(c2)C 240690a_100000212058_100000103084 [0,2,0,0,0,0|2,0,0]=4 2848 B17R2.74368 C#CCNC(=O)C1CCc2c1ccc(c2)C 527a_100000212058_100000103084 [0,2,0,0,0,0|2,0,0]=4 2849 B17R2.74368 CC#CCC(=O)C1CCc2c1ccc(c2)C 1458a_100000103084_100000748600 [0,2,0,0,0,0|2,0,0]=4 2850 B17R2.159317 CN(CCC#N)C1CC(=O)c2c1cccc2 2230a_100000184479_100010208147 [0,2,0,0,0,0|0,0,2]=4 2851 B17R2.440346 C#CCCC(=O)C1CCc2c1cc(cc2)Br 1458a_100012359375_100000753159 [0,2,0,0,0,0|2,0,0]=4 2852 B17R2.440346 C#CCCC(=O)C1CCc2c1cc(cc2)F 1458a_100000103086_100000753159 [0,2,0,0,0,0|2,0,0]=4 2853 B17R2.440346 C#CCNC(=O)C1CCc2c1cc(cc2)Br 11a_100000212058_100012359375 [0,2,0,0,0,0|2,0,0]=4 2854 B17R2.440346 C#CCNC(=O)C1CCc2c1cc(cc2)Br 1626a_100000212058_100012359375 [0,2,0,0,0,0|2,0,0]=4 2855 B17R2.440346 C#CCNC(=O)C1CCc2c1cc(cc2)Br 240690a_100000212058_100012359375 [0,2,0,0,0,0|2,0,0]=4 2856 B17R2.440346 C#CCNC(=O)C1CCc2c1cc(cc2)Br 527a_100000212058_100012359375 [0,2,0,0,0,0|2,0,0]=4 2857 B17R2.440346 C#CCNC(=O)C1CCc2c1cc(cc2)F 11a_100000212058_100000103086 [0,2,0,0,0,0|2,0,0]=4 2858 B17R2.440346 C#CCNC(=O)C1CCc2c1cc(cc2)F 1626a_100000212058_100000103086 [0,2,0,0,0,0|2,0,0]=4 2859 B17R2.440346 C#CCNC(=O)C1CCc2c1cc(cc2)F 240690a_100000212058_100000103086 [0,2,0,0,0,0|2,0,0]=4 2860 B17R2.440346 C#CCNC(=O)C1CCc2c1cc(cc2)F 527a_100000212058_100000103086 [0,2,0,0,0,0|2,0,0]=4 2861 B17R2.440346 CC#CCC(=O)C1CCc2c1cc(cc2)Br 1458a_100012359375_100000748600 [0,2,0,0,0,0|2,0,0]=4 2862 B17R2.440346 CC#CCC(=O)C1CCc2c1cc(cc2)F 1458a_100000103086_100000748600 [0,2,0,0,0,0|2,0,0]=4 2863 B17R2.144 C=C(C)CN(CC)C1CCc2c1cccc2 2230a_100000211296_200000721974 [0,2,0,0,0,0|0,0,2]=4 2864 B17R2.144 C=C(C)CN(CC)C1CCc2c1cccc2 269982a_100000211296_200000721974 [0,2,0,0,0,0|0,0,2]=4 2865 B17R2.144 CCN(CC(=O)O)C1CCc2c1cccc2 269956a_100000746405_200000721974 [0,2,0,0,0,0|1,0,1]=4 2866 B17R2.144 CCN(CC(C)C)C1CCc2c1cccc2 2230a_100000738554_200000721974 [0,2,0,0,0,0|0,0,2]=4 2867 B17R2.144 CCN(CC(C)C)C1CCc2c1cccc2 269982a_100000738554_200000721974 [0,2,0,0,0,0|0,0,2]=4 2868 B17R2.144 CCN(C[C@H](C)O)C1CCc2c1cccc2 2230a_100000729506_200000721974 [0,2,0,0,0,0|0,0,2]=4 2869 B17R2.144 CCN(C[C@H](C)O)C1CCc2c1cccc2 269982a_100000729506_200000721974 [0,2,0,0,0,0|0,0,2]=4 2870 B17R2.144 O=C([O-])CN(CO)C1CCc2c1cccc2 269956a_100016989150_200000721974 [0,2,0,0,0,0|1,0,1]=4 2871 B17R2.2476 C#CCN(CC#C)C1CCc2c1cccc2 2230a_100000740409_100000038162 [0,2,0,0,0,0|0,0,0]=2 2872 B17R2.2476 C#CCN(CC#C)C1CCc2c1cccc2 2230a_100000765449_200000721974 [0,2,0,0,0,0|0,0,0]=2 2873 B17R2.2476 C#CCN(CC#C)C1CCc2c1cccc2 34a_100000740409_100000184674 [0,2,0,0,0,0|0,0,0]=2 2874 B17R2.2476 C#CCN(CC#N)C1CCc2c1cccc2 2230a_100000740409_100011215382 [0,2,0,0,0,0|0,0,0]=2 2875 B17R2.2476 C#CCN(CC=C)C1CCc2c1cccc2 2230a_100000731024_200000721974 [0,2,0,0,0,0|0,0,0]=2 2876 B17R2.2476 C#CCN(CC=C)C1CCc2c1cccc2 2230a_100000740409_100000210623 [0,2,0,0,0,0|0,0,0]=2 2877 B17R2.2476 C#CCN(CC=C)C1CCc2c1cccc2 34a_100000740409_100015514636 [0,2,0,0,0,0|0,0,0]=2 2878 B17R2.2476 C#CCN(CC=O)C1CCc2c1cccc2 2230a_100000740409_200015260668 [0,2,0,0,0,0|0,0,0]=2 2879 B17R2.2476 C#CCN(CC=O)C1CCc2c1cccc2 34a_100000740409_200009817547 [0,2,0,0,0,0|0,0,0]=2 2880 B17R2.2476 C#CCN(CCC)C1CCc2c1cccc2 2230a_100000737437_100000038162 [0,2,0,0,0,0|0,0,0]=2 2881 B17R2.2476 C#CCN(CCC)C1CCc2c1cccc2 2230a_100000740409_100000210303 [0,2,0,0,0,0|0,0,0]=2 2882 B17R2.2476 C#CCN(CCC)C1CCc2c1cccc2 34a_100000737437_100000184674 [0,2,0,0,0,0|0,0,0]=2 2883 B17R2.2476 C#CCN(CCC)C1CCc2c1cccc2 34a_100000740409_100000210303 [0,2,0,0,0,0|0,0,0]=2 2884 B17R2.2476 C#CCN(CCF)C1CCc2c1cccc2 2230a_100000740409_100011217306 [0,2,0,0,0,0|0,0,0]=2 2885 B17R2.2476 C#CCN(CCF)C1CCc2c1cccc2 34a_100000740409_100011217306 [0,2,0,0,0,0|0,0,0]=2 2886 B17R2.2476 C#CCN(CCO)C1CCc2c1cccc2 2230a_100000740409_100000211926 [0,2,0,0,0,0|0,0,0]=2 2887 B17R2.2476 C#CCN(CCO)C1CCc2c1cccc2 34a_100000740409_100000211926 [0,2,0,0,0,0|0,0,0]=2 2888 B17R2.2476 C#CCN(COC)C1CCc2c1cccc2 2230a_100000740409_100000766300 [0,2,0,0,0,0|0,0,0]=2 2889 B17R2.2476 C#CCN(CSC)C1CCc2c1cccc2 2230a_100000740409_100011218213 [0,2,0,0,0,0|0,0,0]=2 2890 B17R2.2476 C#CCN(CSC)C1CCc2c1cccc2 34a_100000740409_100011218213 [0,2,0,0,0,0|0,0,0]=2 2891 B17R2.2476 C=CCN(CC=C)C1CCc2c1cccc2 2230a_100000210471_200000721974 [0,2,0,0,0,0|0,0,2]=4 2892 B17R2.2476 C=CCN(CC=C)C1CCc2c1cccc2 269982a_100000210471_200000721974 [0,2,0,0,0,0|0,0,2]=4 2893 B17R2.2476 C=CCN(CCC)C1CCc2c1cccc2 2230a_100000737437_100000210623 [0,2,0,0,0,0|0,0,2]=4 2894 B17R2.2476 C=CCN(CCC)C1CCc2c1cccc2 269982a_100000737437_100000210623 [0,2,0,0,0,0|0,0,2]=4 2895 B17R2.2476 C=CCN(CCC)C1CCc2c1cccc2 34a_100000737437_100015514636 [0,2,0,0,0,0|0,0,2]=4 2896 B17R2.2476 CCCN(CC#N)C1CCc2c1cccc2 2230a_100000737437_100011215382 [0,2,0,0,0,0|1,0,0]=3 2897 B17R2.2476 CCCN(CC#N)C1CCc2c1cccc2 269982a_100000737437_100011214920 [0,2,0,0,0,0|1,0,0]=3 2898 B17R2.2476 CCCN(CC=O)C1CCc2c1cccc2 2230a_100000737437_200015260668 [0,2,0,0,0,0|0,0,2]=4 2899 B17R2.2476 CCCN(CC=O)C1CCc2c1cccc2 269982a_100000737437_200015260668 [0,2,0,0,0,0|0,0,2]=4 2900 B17R2.2476 CCCN(CC=O)C1CCc2c1cccc2 34a_100000737437_200009817547 [0,2,0,0,0,0|0,0,2]=4 2901 B17R2.2476 CCCN(CCC)C1CCc2c1cccc2 2230a_100000210455_200000721974 [0,2,0,0,0,0|0,0,2]=4 2902 B17R2.2476 CCCN(CCC)C1CCc2c1cccc2 2230a_100000737437_100000210303 [0,2,0,0,0,0|0,0,2]=4 2903 B17R2.2476 CCCN(CCC)C1CCc2c1cccc2 269982a_100000210455_200000721974 [0,2,0,0,0,0|0,0,2]=4 2904 B17R2.2476 CCCN(CCC)C1CCc2c1cccc2 269982a_100000737437_100000210303 [0,2,0,0,0,0|0,0,2]=4 2905 B17R2.2476 CCCN(CCC)C1CCc2c1cccc2 34a_100000737437_100000210303 [0,2,0,0,0,0|0,0,2]=4 2906 B17R2.2476 CCCN(CCF)C1CCc2c1cccc2 2230a_100000737437_100011217306 [0,2,0,0,0,0|0,0,2]=4 2907 B17R2.2476 CCCN(CCF)C1CCc2c1cccc2 269982a_100000737437_100011217306 [0,2,0,0,0,0|0,0,2]=4 2908 B17R2.2476 CCCN(CCF)C1CCc2c1cccc2 34a_100000737437_100011217306 [0,2,0,0,0,0|0,0,2]=4 2909 B17R2.2476 CCCN(CCO)C1CCc2c1cccc2 2230a_100000211420_200000721974 [0,2,0,0,0,0|0,0,2]=4 2910 B17R2.2476 CCCN(CCO)C1CCc2c1cccc2 2230a_100000737437_100000211926 [0,2,0,0,0,0|0,0,2]=4 2911 B17R2.2476 CCCN(CCO)C1CCc2c1cccc2 269982a_100000211420_200000721974 [0,2,0,0,0,0|0,0,2]=4 2912 B17R2.2476 CCCN(CCO)C1CCc2c1cccc2 269982a_100000737437_100000211926 [0,2,0,0,0,0|0,0,2]=4 2913 B17R2.2476 CCCN(CCO)C1CCc2c1cccc2 34a_100000737437_100000211926 [0,2,0,0,0,0|0,0,2]=4 2914 B17R2.2476 CCCN(COC)C1CCc2c1cccc2 2230a_100000737437_100000766300 [0,2,0,0,0,0|0,0,2]=4 2915 B17R2.2476 CCCN(COC)C1CCc2c1cccc2 269982a_100000737437_100000766300 [0,2,0,0,0,0|0,0,2]=4 2916 B17R2.2476 CCCN(CSC)C1CCc2c1cccc2 2230a_100000737437_100011218213 [0,2,0,0,0,0|0,0,2]=4 2917 B17R2.2476 CCCN(CSC)C1CCc2c1cccc2 269982a_100000737437_100011218213 [0,2,0,0,0,0|0,0,2]=4 2918 B17R2.2476 CCCN(CSC)C1CCc2c1cccc2 34a_100000737437_100011218213 [0,2,0,0,0,0|0,0,2]=4 2919 B17R2.2476 OCCN(CCO)C1CCc2c1cccc2 2230a_100000210587_200000721974 [0,2,0,0,0,0|1,0,1]=4 2920 B17R2.2476 OCCN(CCO)C1CCc2c1cccc2 269982a_100000210587_200000721974 [0,2,0,0,0,0|1,0,1]=4 2921 B17R2.2883 CCC(C)N(CC)C1CCc2c1cccc2 2230a_100000732650_200000721974 [0,2,0,0,0,0|0,0,2]=4 2922 B17R2.2883 CCC(C)N(CC)C1CCc2c1cccc2 269982a_100000732650_200000721974 [0,2,0,0,0,0|0,0,2]=4 2923 B17R2.2883 CCN(C(C)CO)C1CCc2c1cccc2 2230a_100000731049_200000721974 [0,2,0,0,0,0|1,0,1]=4 2924 B17R2.2883 CCN(C(C)CO)C1CCc2c1cccc2 269982a_100000731049_200000721974 [0,2,0,0,0,0|1,0,1]=4 2925 B17R2.5738 C#CCN(C(=O)C)C1CCc2c1cccc2 1626a_100000740409_100015343762 [0,2,0,0,0,0|0,0,0]=2 2926 B17R2.5738 C#CCN(C(=O)C)C1CCc2c1cccc2 240690a_100000740409_100015343762 [0,2,0,0,0,0|0,0,0]=2 2927 B17R2.5738 C#CCN(C(=O)C)C1CCc2c1cccc2 527a_100000740409_100103153847 [0,2,0,0,0,0|0,0,0]=2 2928 B17R2.5738 C#CCN(C(C)C)C1CCc2c1cccc2 2230a_100000740409_100000210206 [0,2,0,0,0,0|0,0,0]=2 2929 B17R2.5738 C#CCN(C(C)C)C1CCc2c1cccc2 34a_100000740409_100000210206 [0,2,0,0,0,0|0,0,0]=2 2930 B17R2.5738 C=CCN(C(C)C)C1CCc2c1cccc2 2230a_100000742772_200000721974 [0,2,0,0,0,0|0,0,2]=4 2931 B17R2.5738 C=CCN(C(C)C)C1CCc2c1cccc2 269982a_100000742772_200000721974 [0,2,0,0,0,0|0,0,2]=4 2932 B17R2.5738 CC(C)N(CCO)C1CCc2c1cccc2 2230a_100000224655_200000721974 [0,2,0,0,0,0|1,0,1]=4 2933 B17R2.5738 CC(C)N(CCO)C1CCc2c1cccc2 269982a_100000224655_200000721974 [0,2,0,0,0,0|1,0,1]=4 2934 B17R2.5738 CCCN(C(=O)C)C1CCc2c1cccc2 11a_100000737437_100015343762 [0,2,0,0,0,0|0,0,2]=4 2935 B17R2.5738 CCCN(C(=O)C)C1CCc2c1cccc2 1626a_100000737437_100015343762 [0,2,0,0,0,0|0,0,2]=4 2936 B17R2.5738 CCCN(C(=O)C)C1CCc2c1cccc2 240690a_100000737437_100015343762 [0,2,0,0,0,0|0,0,2]=4 2937 B17R2.5738 CCCN(C(=O)C)C1CCc2c1cccc2 527a_100000737437_100103153847 [0,2,0,0,0,0|0,0,2]=4 2938 B17R2.5738 CCCN(C(C)C)C1CCc2c1cccc2 2230a_100000737437_100000210206 [0,2,0,0,0,0|0,0,2]=4 2939 B17R2.5738 CCCN(C(C)C)C1CCc2c1cccc2 2230a_106256033942_200000721974 [0,2,0,0,0,0|0,0,2]=4 2940 B17R2.5738 CCCN(C(C)C)C1CCc2c1cccc2 269982a_100000737437_100000210206 [0,2,0,0,0,0|0,0,2]=4 2941 B17R2.5738 CCCN(C(C)C)C1CCc2c1cccc2 269982a_106256033942_200000721974 [0,2,0,0,0,0|0,0,2]=4 2942 B17R2.5738 CCCN(C(C)C)C1CCc2c1cccc2 34a_100000737437_100000210206 [0,2,0,0,0,0|0,0,2]=4 2943 B17R2.21859 C#CCN(CC)C1C(=O)Nc2c1cccc2 269982a_100000744766_200009996675 [0,2,0,0,0,0|1,0,1]=4 2944 B17R2.445734 C#CCN(CC)C1CC(=O)c2c1cccc2 2230a_100000744766_100010208147 [0,2,0,0,0,0|0,0,1]=3 2945 B17R2.445734 C#CCN(CC)C1CC(=O)c2c1cccc2 269982a_100000744766_100010208147 [0,2,0,0,0,0|0,0,1]=3 2946 B17R2.445734 C#CCN(CC)C1OC(=O)c2c1cccc2 2230a_100000744766_100009813457 [0,2,0,0,0,0|1,0,1]=4 2947 B17R2.445734 C#CCN(CC)C1OC(=O)c2c1cccc2 269982a_100000744766_100009813457 [0,2,0,0,0,0|1,0,1]=4 2948 B17R2.5715 CN(CC(C)(C)C)C1CCc2c1cccc2 2230a_100000742839_200000721974 [0,2,0,0,0,0|0,0,2]=4 2949 B17R2.5715 CN(CC(C)(C)C)C1CCc2c1cccc2 269982a_100000742839_200000721974 [0,2,0,0,0,0|0,0,2]=4 2950 B17R2.5715 CN(CC(C)(C)O)C1CCc2c1cccc2 2230a_100000755907_200000721974 [0,2,0,0,0,0|0,0,2]=4 2951 B17R2.5715 CN(CC(C)(C)O)C1CCc2c1cccc2 269982a_100000755907_200000721974 [0,2,0,0,0,0|0,0,2]=4 2952 B17R2.5715 CN(CC(F)(F)F)C1CCc2c1cccc2 2230a_100000738877_200000721974 [0,2,0,0,0,0|1,0,1]=4 2953 B17R2.5715 CN(C[Si](C)(C)C)C1CCc2c1cccc2 269982a_200020589227_200000721974 [0,2,0,0,0,0|0,1,1]=4 2954 B17R2.45515 CC(C(=O)O)N(C)C1CCc2c1cccc2 269956a_100000749554_200000721974 [0,2,0,0,0,0|1,0,1]=4 2955 B17R2.45515 CC(C)C(C)N(C)C1CCc2c1cccc2 2230a_100000228512_200000721974 [0,2,0,0,0,0|0,0,2]=4 2956 B17R2.45515 CC(C)C(C)N(C)C1CCc2c1cccc2 269982a_100000228512_200000721974 [0,2,0,0,0,0|0,0,2]=4 2957 B17R2.4851 C#CC(C)(C)C(=O)C1CCc2c1cccc2 1458a_100000750891_100000038118 [0,2,0,0,0,0|2,0,0]=4 2958 B17R2.4851 CCC(C)(C)N(C)C1CCc2c1cccc2 2230a_200000755171_200000721974 [0,2,0,0,0,0|0,0,2]=4 2959 B17R2.4851 CCC(C)(C)N(C)C1CCc2c1cccc2 269982a_200000755171_200000721974 [0,2,0,0,0,0|0,0,2]=4 2960 B17R2.4851 CN(C1CCc2c1cccc2)C(C)(C)CO 269982a_100015204102_200000721974 [0,2,0,0,0,0|1,0,1]=4 2961 B17R2.6051 CCC(CC)N(C)C1CCc2c1cccc2 2230a_100000737045_200000721974 [0,2,0,0,0,0|0,0,2]=4 2962 B17R2.6051 CCC(CC)N(C)C1CCc2c1cccc2 269982a_100000737045_200000721974 [0,2,0,0,0,0|0,0,2]=4 2963 B17R2.6841 C#CC(C)C(=O)C1CCc2c1ccc(c2)C 1458a_100000103084_200000035995 [0,2,0,0,0,0|2,0,0]=4 2964 B17R2.449126 C#CC(C)C(=O)C1CCc2c1cc(cc2)Br 1458a_100012359375_200000035995 [0,2,0,0,0,0|2,0,0]=4 2965 B17R2.449126 C#CC(C)C(=O)C1CCc2c1cc(cc2)F 1458a_100000103086_200000035995 [0,2,0,0,0,0|2,0,0]=4 2966 B17R2.323855 C#CCC(=O)C1CCc2c1ccc(c2)OC 1458a_100009842136_100000184674 [0,2,0,0,0,0|2,0,0]=4 2967 B17R2.1053574 C#CCC(=O)C1CCc2c1cc(cc2)OC 1458a_100000719983_100000184674 [0,2,0,0,0,0|2,0,0]=4 2968 B15R2.31 CN1CCCC(C1)Cc2ccccc2 2230a_100000752525_200000210301 [0,0,1,1,0,0|0,0,2]=4 2969 B15R2.31 CN1CCCC(C1)Cc2ccccc2 269982a_100000752525_200000210301 [0,0,1,1,0,0|0,0,2]=4 2970 B15R2.31 CN1CCCC(C1)Cc2ccccc2 34a_100000752525_200000210301 [0,0,1,1,0,0|0,0,2]=4 2971 B15R2.31 CN1CCOC(C1)Cc2ccccc2 2230a_100000697294_200000210301 [0,0,1,1,0,0|1,0,1]=4 2972 B15R2.31 CN1CCOC(C1)Cc2ccccc2 269982a_100000697294_200000210301 [0,0,1,1,0,0|1,0,1]=4 2973 B15R2.31 CN1CCOC(C1)Cc2ccccc2 34a_100000697294_200000210301 [0,0,1,1,0,0|1,0,1]=4 2974 B15R2.31 [13CH3]N1CCCC(C1)Cc2ccccc2 2230a_100000752525_200025704644 [0,0,1,1,0,0|0,0,2]=4 2975 B15R2.31 [13CH3]N1CCCC(C1)Cc2ccccc2 269982a_100000752525_200025704644 [0,0,1,1,0,0|0,0,2]=4 2976 B15R2.31 [13CH3]N1CCCC(C1)Cc2ccccc2 34a_100000752525_200025704644 [0,0,1,1,0,0|0,0,2]=4 2977 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 2230a_100000697294_200025704644 [0,0,1,1,0,0|1,0,1]=4 2978 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 269982a_100000697294_200025704644 [0,0,1,1,0,0|1,0,1]=4 2979 B15R2.31 [13CH3]N1CCOC(C1)Cc2ccccc2 34a_100000697294_200025704644 [0,0,1,1,0,0|1,0,1]=4 2980 B15R2.50 N#CCN1CC(C1)Oc2ccccc2 269982a_100000751016_100011214920 [0,0,1,1,0,0|2,0,0]=4 2981 B15R2.55 CN1CCCC1CCc2ccccc2 2230a_100000741814_200000210301 [0,0,1,1,0,0|0,0,2]=4 2982 B15R2.55 CN1CCCC1CCc2ccccc2 269982a_100000741814_200000210301 [0,0,1,1,0,0|0,0,2]=4 2983 B15R2.55 CN1CCCC1CCc2ccccc2 34a_100000741814_200000210301 [0,0,1,1,0,0|0,0,2]=4 2984 B15R2.55 [13CH3]N1CCCC1CCc2ccccc2 2230a_100000741814_200025704644 [0,0,1,1,0,0|0,0,2]=4 2985 B15R2.55 [13CH3]N1CCCC1CCc2ccccc2 269982a_100000741814_200025704644 [0,0,1,1,0,0|0,0,2]=4 2986 B15R2.55 [13CH3]N1CCCC1CCc2ccccc2 34a_100000741814_200025704644 [0,0,1,1,0,0|0,0,2]=4 2987 B15R2.66 C#CCN1CCC(C1)c2ccccc2 2230a_100000747531_100000038162 [0,0,1,1,0,0|0,0,0]=2 2988 B15R2.66 C#CCN1CCC(C1)c2ccccc2 34a_100000747531_100000184674 [0,0,1,1,0,0|0,0,0]=2 2989 B15R2.66 C#CCN1CCC(C1)c2ccccn2 2230a_100102730755_100000038162 [0,0,1,1,0,0|1,0,0]=3 2990 B15R2.66 C#CCN1CCC(C1)c2cccnc2 2230a_200015204282_100000038162 [0,0,1,1,0,0|1,0,0]=3 2991 B15R2.66 C#CCN1CCC(C1)c2cncnc2 2230a_100025749470_100000038162 [0,0,1,1,0,0|2,0,0]=4 2992 B15R2.66 C=CCN1CCC(C1)c2ccccc2 2230a_100000747531_100000210623 [0,0,1,1,0,0|0,0,2]=4 2993 B15R2.66 C=CCN1CCC(C1)c2ccccc2 269982a_100000747531_100000210623 [0,0,1,1,0,0|0,0,2]=4 2994 B15R2.66 C=CCN1CCC(C1)c2ccccc2 34a_100000747531_100015514636 [0,0,1,1,0,0|0,0,2]=4 2995 B15R2.66 CCCN1CCC(C1)c2ccccc2 2230a_100000747531_100000210303 [0,0,1,1,0,0|0,0,2]=4 2996 B15R2.66 CCCN1CCC(C1)c2ccccc2 269982a_100000747531_100000210303 [0,0,1,1,0,0|0,0,2]=4 2997 B15R2.66 CCCN1CCC(C1)c2ccccc2 34a_100000747531_100000210303 [0,0,1,1,0,0|0,0,2]=4 2998 B15R2.66 COCN1CCC(C1)c2ccccc2 2230a_100000747531_100000766300 [0,0,1,1,0,0|1,0,1]=4 2999 B15R2.66 COCN1CCC(C1)c2ccccc2 269982a_100000747531_100000766300 [0,0,1,1,0,0|1,0,1]=4 3000 B15R2.66 CSCN1CCC(C1)c2ccccc2 2230a_100000747531_100011218213 [0,0,1,1,0,0|1,0,1]=4 3001 B15R2.66 CSCN1CCC(C1)c2ccccc2 269982a_100000747531_100011218213 [0,0,1,1,0,0|1,0,1]=4 3002 B15R2.66 CSCN1CCC(C1)c2ccccc2 34a_100000747531_100011218213 [0,0,1,1,0,0|1,0,1]=4 3003 B15R2.66 FCCN1CCC(C1)c2ccccc2 2230a_100000747531_100011217306 [0,0,1,1,0,0|1,0,1]=4 3004 B15R2.66 FCCN1CCC(C1)c2ccccc2 269982a_100000747531_100011217306 [0,0,1,1,0,0|1,0,1]=4 3005 B15R2.66 FCCN1CCC(C1)c2ccccc2 34a_100000747531_100011217306 [0,0,1,1,0,0|1,0,1]=4 3006 B15R2.66 N#CCN1CCC(C1)c2ccccc2 2230a_100000747531_100011215382 [0,0,1,1,0,0|1,0,0]=3 3007 B15R2.66 N#CCN1CCC(C1)c2ccccc2 269982a_100000747531_100011214920 [0,0,1,1,0,0|1,0,0]=3 3008 B15R2.66 N#CCN1CCC(C1)c2ccccn2 2230a_100102730755_100011215382 [0,0,1,1,0,0|2,0,0]=4 3009 B15R2.66 N#CCN1CCC(C1)c2ccccn2 269982a_100102730755_100011214920 [0,0,1,1,0,0|2,0,0]=4 3010 B15R2.66 N#CCN1CCC(C1)c2cccnc2 2230a_200015204282_100011215382 [0,0,1,1,0,0|2,0,0]=4 3011 B15R2.66 N#CCN1CCC(C1)c2cccnc2 269982a_200015204282_100011214920 [0,0,1,1,0,0|2,0,0]=4 3012 B15R2.66 O=CCN1CCC(C1)c2ccccc2 2230a_100000747531_200015260668 [0,0,1,1,0,0|1,0,1]=4 3013 B15R2.66 O=CCN1CCC(C1)c2ccccc2 269982a_100000747531_200015260668 [0,0,1,1,0,0|1,0,1]=4 3014 B15R2.66 O=CCN1CCC(C1)c2ccccc2 34a_100000747531_200009817547 [0,0,1,1,0,0|1,0,1]=4 3015 B15R2.66 OCCN1CCC(C1)c2ccccc2 2230a_100000747531_100000211926 [0,0,1,1,0,0|1,0,1]=4 3016 B15R2.66 OCCN1CCC(C1)c2ccccc2 269982a_100000747531_100000211926 [0,0,1,1,0,0|1,0,1]=4 3017 B15R2.66 OCCN1CCC(C1)c2ccccc2 34a_100000747531_100000211926 [0,0,1,1,0,0|1,0,1]=4 3018 B15R2.548 CN1CCCC(CC1)c2ccccc2 2230a_100015185863_200000210301 [0,0,1,1,0,0|0,0,2]=4 3019 B15R2.548 CN1CCCC(CC1)c2ccccc2 269982a_100015185863_200000210301 [0,0,1,1,0,0|0,0,2]=4 3020 B15R2.548 CN1CCCC(CC1)c2ccccc2 34a_100015185863_200000210301 [0,0,1,1,0,0|0,0,2]=4 3021 B15R2.548 [13CH3]N1CCCC(CC1)c2ccccc2 2230a_100015185863_200025704644 [0,0,1,1,0,0|0,0,2]=4 3022 B15R2.548 [13CH3]N1CCCC(CC1)c2ccccc2 269982a_100015185863_200025704644 [0,0,1,1,0,0|0,0,2]=4 3023 B15R2.548 [13CH3]N1CCCC(CC1)c2ccccc2 34a_100015185863_200025704644 [0,0,1,1,0,0|0,0,2]=4 3024 B15R2.617 CC1CN(C1)CCCc2ccccc2 2230a_100000702820_100000211621 [0,0,1,1,0,0|0,0,2]=4 3025 B15R2.617 CC1CN(C1)CCCc2ccccc2 269982a_100000702820_100000211621 [0,0,1,1,0,0|0,0,2]=4 3026 B15R2.617 CC1CN(C1)CCCc2ccccc2 34a_100000702820_100000211621 [0,0,1,1,0,0|0,0,2]=4 3027 B15R2.617 FC1CN(C1)CCCc2ccccc2 2230a_100000690557_100000211621 [0,0,1,1,0,0|1,0,1]=4 3028 B15R2.617 FC1CN(C1)CCCc2ccccc2 269982a_100000690557_100000211621 [0,0,1,1,0,0|1,0,1]=4 3029 B15R2.617 FC1CN(C1)CCCc2ccccc2 34a_100000690557_100000211621 [0,0,1,1,0,0|1,0,1]=4 3030 B15R2.617 OC1CN(C1)CCCc2ccccc2 269982a_100000749847_100000211621 [0,0,1,1,0,0|1,0,1]=4 3031 B15R2.1291 C#CCN1CCCc2ccccc2C1 2230a_100000059810_100000038162 [0,0,1,1,0,0|0,0,0]=2 3032 B15R2.1291 C#CCN1CCCc2ccccc2C1 34a_100000059810_100000184674 [0,0,1,1,0,0|0,0,0]=2 3033 B15R2.1291 C#CCN1CCOc2ccccc2C1 2230a_100000744108_100000038162 [0,0,1,1,0,0|1,0,0]=3 3034 B15R2.1291 C#CCN1CCOc2ccccc2C1 34a_100000744108_100000184674 [0,0,1,1,0,0|1,0,0]=3 3035 B15R2.1291 C=CCN1CCCc2ccccc2C1 2230a_100000059810_100000210623 [0,0,1,1,0,0|0,0,2]=4 3036 B15R2.1291 C=CCN1CCCc2ccccc2C1 269982a_100000059810_100000210623 [0,0,1,1,0,0|0,0,2]=4 3037 B15R2.1291 C=CCN1CCCc2ccccc2C1 34a_100000059810_100015514636 [0,0,1,1,0,0|0,0,2]=4 3038 B15R2.1291 CCCN1CCCc2ccccc2C1 2230a_100000059810_100000210303 [0,0,1,1,0,0|0,0,2]=4 3039 B15R2.1291 CCCN1CCCc2ccccc2C1 269982a_100000059810_100000210303 [0,0,1,1,0,0|0,0,2]=4 3040 B15R2.1291 CCCN1CCCc2ccccc2C1 34a_100000059810_100000210303 [0,0,1,1,0,0|0,0,2]=4 3041 B15R2.1291 COCN1CCCc2ccccc2C1 2230a_100000059810_100000766300 [0,0,1,1,0,0|1,0,1]=4 3042 B15R2.1291 COCN1CCCc2ccccc2C1 269982a_100000059810_100000766300 [0,0,1,1,0,0|1,0,1]=4 3043 B15R2.1291 CSCN1CCCc2ccccc2C1 2230a_100000059810_100011218213 [0,0,1,1,0,0|1,0,1]=4 3044 B15R2.1291 CSCN1CCCc2ccccc2C1 269982a_100000059810_100011218213 [0,0,1,1,0,0|1,0,1]=4 3045 B15R2.1291 CSCN1CCCc2ccccc2C1 34a_100000059810_100011218213 [0,0,1,1,0,0|1,0,1]=4 3046 B15R2.1291 FCCN1CCCc2ccccc2C1 2230a_100000059810_100011217306 [0,0,1,1,0,0|1,0,1]=4 3047 B15R2.1291 FCCN1CCCc2ccccc2C1 269982a_100000059810_100011217306 [0,0,1,1,0,0|1,0,1]=4 3048 B15R2.1291 FCCN1CCCc2ccccc2C1 34a_100000059810_100011217306 [0,0,1,1,0,0|1,0,1]=4 3049 B15R2.1291 N#CCN1CCCc2ccccc2C1 2230a_100000059810_100011215382 [0,0,1,1,0,0|1,0,0]=3 3050 B15R2.1291 N#CCN1CCCc2ccccc2C1 269982a_100000059810_100011214920 [0,0,1,1,0,0|1,0,0]=3 3051 B15R2.1291 N#CCN1CCOc2ccccc2C1 2230a_100000744108_100011215382 [0,0,1,1,0,0|2,0,0]=4 3052 B15R2.1291 N#CCN1CCOc2ccccc2C1 269982a_100000744108_100011214920 [0,0,1,1,0,0|2,0,0]=4 3053 B15R2.1291 O=CCN1CCCc2ccccc2C1 2230a_100000059810_200015260668 [0,0,1,1,0,0|1,0,1]=4 3054 B15R2.1291 O=CCN1CCCc2ccccc2C1 269982a_100000059810_200015260668 [0,0,1,1,0,0|1,0,1]=4 3055 B15R2.1291 O=CCN1CCCc2ccccc2C1 34a_100000059810_200009817547 [0,0,1,1,0,0|1,0,1]=4 3056 B15R2.1291 OCCN1CCCc2ccccc2C1 2230a_100000059810_100000211926 [0,0,1,1,0,0|1,0,1]=4 3057 B15R2.1291 OCCN1CCCc2ccccc2C1 269982a_100000059810_100000211926 [0,0,1,1,0,0|1,0,1]=4 3058 B15R2.1291 OCCN1CCCc2ccccc2C1 34a_100000059810_100000211926 [0,0,1,1,0,0|1,0,1]=4 3059 B15R2.1342 C#CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000184674 [0,0,1,1,0,0|2,0,0]=4 3060 B15R2.2196 C1=CCN(C1)CCCc2ccccc2 269982a_100015195280_100000211621 [0,0,1,1,0,0|0,0,2]=4 3061 B15R2.2196 c1ccc(cc1)CCCN2CCCC2 2230a_100000188435_100000211621 [0,0,1,1,0,0|0,0,2]=4 3062 B15R2.2196 c1ccc(cc1)CCCN2CCCC2 269982a_100000188435_100000211621 [0,0,1,1,0,0|0,0,2]=4 3063 B15R2.2196 c1ccc(cc1)CCCN2CCSC2 2230a_100011215254_100000211621 [0,0,1,1,0,0|1,0,1]=4 3064 B15R2.2196 c1ccc(cc1)CCCN2CCSC2 269982a_100011215254_100000211621 [0,0,1,1,0,0|1,0,1]=4 3065 B15R2.16438 CN(CCCc1ccccc1)C2CC2 2230a_100000226674_100000211621 [0,0,1,1,0,0|0,0,2]=4 3066 B15R2.16438 CN(CCCc1ccccc1)C2CC2 269982a_100000226674_100000211621 [0,0,1,1,0,0|0,0,2]=4 3067 B15R2.16438 CN(CCCc1ccccc1)C2CC2 269982a_100000693637_100000211595 [0,0,1,1,0,0|0,0,2]=4 3068 B15R2.93174 C#CCC(C)OC1Cc2c1cccc2 7a_100000685586_100009813401 [0,0,1,1,0,0|2,0,0]=4 3069 B15R2.72 C#CCN1CCCC1c2ccccc2 2230a_100000243309_100000038162 [0,0,1,1,0,0|0,0,0]=2 3070 B15R2.72 C#CCN1CCCC1c2ccccc2 34a_100000243309_100000184674 [0,0,1,1,0,0|0,0,0]=2 3071 B15R2.72 C#CCN1CCCC1c2ccccn2 2230a_100000744244_100000038162 [0,0,1,1,0,0|1,0,0]=3 3072 B15R2.72 C#CCN1CCCC1c2cccnc2 2230a_100000233489_100000038162 [0,0,1,1,0,0|1,0,0]=3 3073 B15R2.72 C#CCN1CCCC1c2ccncc2 2230a_106446545576_100000038162 [0,0,1,1,0,0|1,0,0]=3 3074 B15R2.72 C#CCN1CCSC1c2ccccc2 2230a_100000215944_100000038162 [0,0,1,1,0,0|1,0,0]=3 3075 B15R2.72 C#CCN1CCSC1c2ccccc2 34a_100000215944_100000184674 [0,0,1,1,0,0|1,0,0]=3 3076 B15R2.72 C#CCN1CCSC1c2ccccc2 7a_100000215944_100000038162 [0,0,1,1,0,0|1,0,0]=3 3077 B15R2.72 C=CCN1CCCC1c2ccccc2 2230a_100000243309_100000210623 [0,0,1,1,0,0|0,0,2]=4 3078 B15R2.72 C=CCN1CCCC1c2ccccc2 269982a_100000243309_100000210623 [0,0,1,1,0,0|0,0,2]=4 3079 B15R2.72 C=CCN1CCCC1c2ccccc2 34a_100000243309_100015514636 [0,0,1,1,0,0|0,0,2]=4 3080 B15R2.72 CCCN1CCCC1c2ccccc2 2230a_100000243309_100000210303 [0,0,1,1,0,0|0,0,2]=4 3081 B15R2.72 CCCN1CCCC1c2ccccc2 269982a_100000243309_100000210303 [0,0,1,1,0,0|0,0,2]=4 3082 B15R2.72 CCCN1CCCC1c2ccccc2 34a_100000243309_100000210303 [0,0,1,1,0,0|0,0,2]=4 3083 B15R2.72 COCN1CCCC1c2ccccc2 2230a_100000243309_100000766300 [0,0,1,1,0,0|1,0,1]=4 3084 B15R2.72 COCN1CCCC1c2ccccc2 269982a_100000243309_100000766300 [0,0,1,1,0,0|1,0,1]=4 3085 B15R2.72 CSCN1CCCC1c2ccccc2 2230a_100000243309_100011218213 [0,0,1,1,0,0|1,0,1]=4 3086 B15R2.72 CSCN1CCCC1c2ccccc2 269982a_100000243309_100011218213 [0,0,1,1,0,0|1,0,1]=4 3087 B15R2.72 CSCN1CCCC1c2ccccc2 34a_100000243309_100011218213 [0,0,1,1,0,0|1,0,1]=4 3088 B15R2.72 FCCN1CCCC1c2ccccc2 2230a_100000243309_100011217306 [0,0,1,1,0,0|1,0,1]=4 3089 B15R2.72 FCCN1CCCC1c2ccccc2 269982a_100000243309_100011217306 [0,0,1,1,0,0|1,0,1]=4 3090 B15R2.72 FCCN1CCCC1c2ccccc2 34a_100000243309_100011217306 [0,0,1,1,0,0|1,0,1]=4 3091 B15R2.72 N#CCN1CCCC1c2ccccc2 2230a_100000243309_100011215382 [0,0,1,1,0,0|1,0,0]=3 3092 B15R2.72 N#CCN1CCCC1c2ccccc2 269982a_100000243309_100011214920 [0,0,1,1,0,0|1,0,0]=3 3093 B15R2.72 N#CCN1CCCC1c2ccccn2 2230a_100000744244_100011215382 [0,0,1,1,0,0|2,0,0]=4 3094 B15R2.72 N#CCN1CCCC1c2ccccn2 269982a_100000744244_100011214920 [0,0,1,1,0,0|2,0,0]=4 3095 B15R2.72 N#CCN1CCCC1c2cccnc2 2230a_100000233489_100011215382 [0,0,1,1,0,0|2,0,0]=4 3096 B15R2.72 N#CCN1CCCC1c2cccnc2 269982a_100000233489_100011214920 [0,0,1,1,0,0|2,0,0]=4 3097 B15R2.72 N#CCN1CCCC1c2ccncc2 2230a_106446545576_100011215382 [0,0,1,1,0,0|2,0,0]=4 3098 B15R2.72 N#CCN1CCCC1c2ccncc2 269982a_106446545576_100011214920 [0,0,1,1,0,0|2,0,0]=4 3099 B15R2.72 N#CCN1CCSC1c2ccccc2 2230a_100000215944_100011215382 [0,0,1,1,0,0|2,0,0]=4 3100 B15R2.72 N#CCN1CCSC1c2ccccc2 269982a_100000215944_100011214920 [0,0,1,1,0,0|2,0,0]=4 3101 B15R2.72 N#CCN1CCSC1c2ccccc2 7a_100000215944_100011215382 [0,0,1,1,0,0|2,0,0]=4 3102 B15R2.72 O=CCN1CCCC1c2ccccc2 2230a_100000243309_200015260668 [0,0,1,1,0,0|1,0,1]=4 3103 B15R2.72 O=CCN1CCCC1c2ccccc2 269982a_100000243309_200015260668 [0,0,1,1,0,0|1,0,1]=4 3104 B15R2.72 O=CCN1CCCC1c2ccccc2 34a_100000243309_200009817547 [0,0,1,1,0,0|1,0,1]=4 3105 B15R2.72 OCCN1CCCC1c2ccccc2 2230a_100000243309_100000211926 [0,0,1,1,0,0|1,0,1]=4 3106 B15R2.72 OCCN1CCCC1c2ccccc2 269982a_100000243309_100000211926 [0,0,1,1,0,0|1,0,1]=4 3107 B15R2.72 OCCN1CCCC1c2ccccc2 34a_100000243309_100000211926 [0,0,1,1,0,0|1,0,1]=4 3108 B15R2.1363 C#CCC(=O)C1(CC1)c2ccccc2 1458a_100000211650_100000184674 [0,0,1,1,0,0|2,0,0]=4 3109 B15R2.3870 CCC(c1ccccc1)N(C)C2CC2 269982a_100000737544_100000211595 [0,0,1,1,0,0|0,0,2]=4 3110 B15R2.1356 C#CCN(C)C1Cc2ccccc2C1 2230a_100016990990_100000038162 [0,0,1,1,0,0|0,0,2]=4 3111 B15R2.1356 C#CCN(C)C1Cc2ccccc2C1 34a_100000225692_100000753484 [0,0,1,1,0,0|0,0,2]=4 3112 B15R2.1356 C#CCN(C)C1Cc2ccccc2C1 34a_100016990990_100000184674 [0,0,1,1,0,0|0,0,2]=4 3113 B15R2.123 CCc1ccccc1CN2CCCC2 270004a_100000188435_100011219594 [0,0,1,1,0,0|0,0,2]=4 3114 B15R2.123 CCc1ccccc1CN2CCSC2 270004a_100011215254_100011219594 [0,0,1,1,0,0|1,0,1]=4 3115 B15R2.886 C#CCN1Cc2ccccc2C(C1)C 2230a_100015190047_100000038162 [0,0,1,1,0,0|0,0,0]=2 3116 B15R2.886 C#CCN1Cc2ccccc2C(C1)C 34a_100015190047_100000184674 [0,0,1,1,0,0|0,0,0]=2 3117 B15R2.886 C=CCN1Cc2ccccc2C(C1)C 2230a_100015190047_100000210623 [0,0,1,1,0,0|0,0,2]=4 3118 B15R2.886 C=CCN1Cc2ccccc2C(C1)C 269982a_100015190047_100000210623 [0,0,1,1,0,0|0,0,2]=4 3119 B15R2.886 C=CCN1Cc2ccccc2C(C1)C 34a_100015190047_100015514636 [0,0,1,1,0,0|0,0,2]=4 3120 B15R2.886 CC1CN(Cc2c1cccc2)CC#N 2230a_100015190047_100011215382 [0,0,1,1,0,0|1,0,0]=3 3121 B15R2.886 CC1CN(Cc2c1cccc2)CC#N 269982a_100015190047_100011214920 [0,0,1,1,0,0|1,0,0]=3 3122 B15R2.886 CC1CN(Cc2c1cccc2)CC=O 2230a_100015190047_200015260668 [0,0,1,1,0,0|1,0,1]=4 3123 B15R2.886 CC1CN(Cc2c1cccc2)CC=O 269982a_100015190047_200015260668 [0,0,1,1,0,0|1,0,1]=4 3124 B15R2.886 CC1CN(Cc2c1cccc2)CC=O 34a_100015190047_200009817547 [0,0,1,1,0,0|1,0,1]=4 3125 B15R2.886 CC1CN(Cc2c1cccc2)CCF 2230a_100015190047_100011217306 [0,0,1,1,0,0|1,0,1]=4 3126 B15R2.886 CC1CN(Cc2c1cccc2)CCF 269982a_100015190047_100011217306 [0,0,1,1,0,0|1,0,1]=4 3127 B15R2.886 CC1CN(Cc2c1cccc2)CCF 34a_100015190047_100011217306 [0,0,1,1,0,0|1,0,1]=4 3128 B15R2.886 CC1CN(Cc2c1cccc2)CCO 2230a_100015190047_100000211926 [0,0,1,1,0,0|1,0,1]=4 3129 B15R2.886 CC1CN(Cc2c1cccc2)CCO 269982a_100015190047_100000211926 [0,0,1,1,0,0|1,0,1]=4 3130 B15R2.886 CC1CN(Cc2c1cccc2)CCO 34a_100015190047_100000211926 [0,0,1,1,0,0|1,0,1]=4 3131 B15R2.886 CCCN1Cc2ccccc2C(C1)C 2230a_100015190047_100000210303 [0,0,1,1,0,0|0,0,2]=4 3132 B15R2.886 CCCN1Cc2ccccc2C(C1)C 269982a_100015190047_100000210303 [0,0,1,1,0,0|0,0,2]=4 3133 B15R2.886 CCCN1Cc2ccccc2C(C1)C 34a_100015190047_100000210303 [0,0,1,1,0,0|0,0,2]=4 3134 B15R2.886 COCN1Cc2ccccc2C(C1)C 2230a_100015190047_100000766300 [0,0,1,1,0,0|1,0,1]=4 3135 B15R2.886 COCN1Cc2ccccc2C(C1)C 269982a_100015190047_100000766300 [0,0,1,1,0,0|1,0,1]=4 3136 B15R2.886 CSCN1Cc2ccccc2C(C1)C 2230a_100015190047_100011218213 [0,0,1,1,0,0|1,0,1]=4 3137 B15R2.886 CSCN1Cc2ccccc2C(C1)C 269982a_100015190047_100011218213 [0,0,1,1,0,0|1,0,1]=4 3138 B15R2.886 CSCN1Cc2ccccc2C(C1)C 34a_100015190047_100011218213 [0,0,1,1,0,0|1,0,1]=4 3139 B15R2.1921 CCc1ccccc1CN2CC(C2)C 270004a_100000702820_100011219594 [0,0,1,1,0,0|0,0,2]=4 3140 B15R2.1921 CCc1ccccc1CN2CC(C2)F 270004a_100000690557_100011219594 [0,0,1,1,0,0|1,0,1]=4 3141 B15R2.4420 C#CCN1Cc2cccc(c2C1)OC 2230a_100016991506_100000038162 [0,0,1,1,0,0|1,0,0]=3 3142 B15R2.4420 C#CCN1Cc2cccc(c2C1)OC 34a_100016991506_100000184674 [0,0,1,1,0,0|1,0,0]=3 3143 B15R2.4420 COc1cccc2c1CN(C2)CC#N 2230a_100016991506_100011215382 [0,0,1,1,0,0|2,0,0]=4 3144 B15R2.4420 COc1cccc2c1CN(C2)CC#N 269982a_100016991506_100011214920 [0,0,1,1,0,0|2,0,0]=4 3145 B15R2.4930 CCc1ccccc1CN(C)C2CC2 270004a_100000226674_100011219594 [0,0,1,1,0,0|0,0,2]=4 3146 B15R2.2220 C#CCN1CCc2ccccc2C1C 2230a_100011660714_100000038162 [0,0,1,1,0,0|0,0,0]=2 3147 B15R2.2220 C#CCN1CCc2ccccc2C1C 34a_100011660714_100000184674 [0,0,1,1,0,0|0,0,0]=2 3148 B15R2.2220 C=CCN1CCc2ccccc2C1C 2230a_100011660714_100000210623 [0,0,1,1,0,0|0,0,2]=4 3149 B15R2.2220 C=CCN1CCc2ccccc2C1C 269982a_100011660714_100000210623 [0,0,1,1,0,0|0,0,2]=4 3150 B15R2.2220 C=CCN1CCc2ccccc2C1C 34a_100011660714_100015514636 [0,0,1,1,0,0|0,0,2]=4 3151 B15R2.2220 CC1c2ccccc2CCN1CC#N 2230a_100011660714_100011215382 [0,0,1,1,0,0|1,0,0]=3 3152 B15R2.2220 CC1c2ccccc2CCN1CC#N 269982a_100011660714_100011214920 [0,0,1,1,0,0|1,0,0]=3 3153 B15R2.2220 CC1c2ccccc2CCN1CC=O 2230a_100011660714_200015260668 [0,0,1,1,0,0|1,0,1]=4 3154 B15R2.2220 CC1c2ccccc2CCN1CC=O 269982a_100011660714_200015260668 [0,0,1,1,0,0|1,0,1]=4 3155 B15R2.2220 CC1c2ccccc2CCN1CC=O 34a_100011660714_200009817547 [0,0,1,1,0,0|1,0,1]=4 3156 B15R2.2220 CC1c2ccccc2CCN1CCF 2230a_100011660714_100011217306 [0,0,1,1,0,0|1,0,1]=4 3157 B15R2.2220 CC1c2ccccc2CCN1CCF 269982a_100011660714_100011217306 [0,0,1,1,0,0|1,0,1]=4 3158 B15R2.2220 CC1c2ccccc2CCN1CCF 34a_100011660714_100011217306 [0,0,1,1,0,0|1,0,1]=4 3159 B15R2.2220 CC1c2ccccc2CCN1CCO 2230a_100011660714_100000211926 [0,0,1,1,0,0|1,0,1]=4 3160 B15R2.2220 CC1c2ccccc2CCN1CCO 269982a_100011660714_100000211926 [0,0,1,1,0,0|1,0,1]=4 3161 B15R2.2220 CC1c2ccccc2CCN1CCO 34a_100011660714_100000211926 [0,0,1,1,0,0|1,0,1]=4 3162 B15R2.2220 CCCN1CCc2ccccc2C1C 2230a_100011660714_100000210303 [0,0,1,1,0,0|0,0,2]=4 3163 B15R2.2220 CCCN1CCc2ccccc2C1C 269982a_100011660714_100000210303 [0,0,1,1,0,0|0,0,2]=4 3164 B15R2.2220 CCCN1CCc2ccccc2C1C 34a_100011660714_100000210303 [0,0,1,1,0,0|0,0,2]=4 3165 B15R2.2220 COCN1CCc2ccccc2C1C 2230a_100011660714_100000766300 [0,0,1,1,0,0|1,0,1]=4 3166 B15R2.2220 COCN1CCc2ccccc2C1C 269982a_100011660714_100000766300 [0,0,1,1,0,0|1,0,1]=4 3167 B15R2.2220 CSCN1CCc2ccccc2C1C 2230a_100011660714_100011218213 [0,0,1,1,0,0|1,0,1]=4 3168 B15R2.2220 CSCN1CCc2ccccc2C1C 269982a_100011660714_100011218213 [0,0,1,1,0,0|1,0,1]=4 3169 B15R2.2220 CSCN1CCc2ccccc2C1C 34a_100011660714_100011218213 [0,0,1,1,0,0|1,0,1]=4 3170 B15R3.1736 c1ccc2c(c1)CCC2N3CCC3 269982a_100000754969_200000721974 [1,0,0,1,0,0|0,0,2]=4 3171 B15R3.1737 c1ccc2c(c1)CC[C@@H]2NC3CC3 34a_100016989578_100000211595 [1,0,0,1,0,0|0,0,2]=4 3172 B15R3.823 CC1CN(C1)C2Cc3c2cccc3 269982a_100000702820_100009813401 [0,0,0,1,1,0|0,0,2]=4 3173 B15R3.823 FC1CN(C1)C2Cc3c2cccc3 269982a_100000690557_100009813401 [0,0,0,1,1,0|1,0,1]=4 3174 B15R3.823 OC1CN(C1)C2Cc3c2cccc3 269982a_100000749847_100009813401 [0,0,0,1,1,0|1,0,1]=4 3175 B15R3.1701 C1=CCN(C1)C2Cc3c2cccc3 269982a_100015195280_100009813401 [0,0,0,1,1,0|0,0,2]=4 3176 B15R3.1701 c1ccc2c(c1)CC2N3CCCC3 269982a_100000188435_100009813401 [0,0,0,1,1,0|0,0,2]=4 3177 B15R3.1701 c1ccc2c(c1)CC2N3CCSC3 269982a_100011215254_100009813401 [0,0,0,1,1,0|1,0,1]=4 3178 B15R3.6241 CN(C1CC1)C2Cc3c2cccc3 269982a_100000226674_100009813401 [0,0,0,1,1,0|0,0,2]=4 3179 B17R3.4156 C#CCN1CC2CC(C1)c3c2cccc3 2230a_100016997830_100000038162 [0,0,0,1,0,1|0,0,0]=2 3180 B17R3.4156 C=CCN1CC2CC(C1)c3c2cccc3 2230a_100016997830_100000210623 [0,0,0,1,0,1|0,0,2]=4 3181 B17R3.4156 C=CCN1CC2CC(C1)c3c2cccc3 269982a_100016997830_100000210623 [0,0,0,1,0,1|0,0,2]=4 3182 B17R3.4156 CCCN1CC2CC(C1)c3c2cccc3 2230a_100016997830_100000210303 [0,0,0,1,0,1|0,0,2]=4 3183 B17R3.4156 CCCN1CC2CC(C1)c3c2cccc3 269982a_100016997830_100000210303 [0,0,0,1,0,1|0,0,2]=4 3184 B17R3.4156 COCN1CC2CC(C1)c3c2cccc3 2230a_100016997830_100000766300 [0,0,0,1,0,1|1,0,1]=4 3185 B17R3.4156 COCN1CC2CC(C1)c3c2cccc3 269982a_100016997830_100000766300 [0,0,0,1,0,1|1,0,1]=4 3186 B17R3.4156 CSCN1CC2CC(C1)c3c2cccc3 2230a_100016997830_100011218213 [0,0,0,1,0,1|1,0,1]=4 3187 B17R3.4156 CSCN1CC2CC(C1)c3c2cccc3 269982a_100016997830_100011218213 [0,0,0,1,0,1|1,0,1]=4 3188 B17R3.4156 FCCN1CC2CC(C1)c3c2cccc3 2230a_100016997830_100011217306 [0,0,0,1,0,1|1,0,1]=4 3189 B17R3.4156 FCCN1CC2CC(C1)c3c2cccc3 269982a_100016997830_100011217306 [0,0,0,1,0,1|1,0,1]=4 3190 B17R3.4156 N#CCN1CC2CC(C1)c3c2cccc3 2230a_100016997830_100011215382 [0,0,0,1,0,1|1,0,0]=3 3191 B17R3.4156 N#CCN1CC2CC(C1)c3c2cccc3 269982a_100016997830_100011214920 [0,0,0,1,0,1|1,0,0]=3 3192 B17R3.4156 O=CCN1CC2CC(C1)c3c2cccc3 2230a_100016997830_200015260668 [0,0,0,1,0,1|1,0,1]=4 3193 B17R3.4156 O=CCN1CC2CC(C1)c3c2cccc3 269982a_100016997830_200015260668 [0,0,0,1,0,1|1,0,1]=4 3194 B17R3.4156 OCCN1CC2CC(C1)c3c2cccc3 2230a_100016997830_100000211926 [0,0,0,1,0,1|1,0,1]=4 3195 B17R3.4156 OCCN1CC2CC(C1)c3c2cccc3 269982a_100016997830_100000211926 [0,0,0,1,0,1|1,0,1]=4 3196 B17R3.1917 c1ccc2c(c1)CCC(C2)N3CCCC3 270004a_100000188435_100000212018 [0,0,0,1,0,1|0,0,2]=4 3197 B17R3.1917 c1ccc2c(c1)CCC(C2)N3CCSC3 270004a_100011215254_100000212018 [0,0,0,1,0,1|1,0,1]=4 3198 B17R3.5220 CC1CN(C1)C2CCc3ccccc3C2 270004a_100000702820_100000212018 [0,0,0,1,0,1|0,0,2]=4 3199 B17R3.5220 FC1CN(C1)C2CCc3ccccc3C2 270004a_100000690557_100000212018 [0,0,0,1,0,1|1,0,1]=4 3200 B17R3.18262 CN(C1CC1)C2CCc3ccccc3C2 270004a_100000226674_100000212018 [0,0,0,1,0,1|0,0,2]=4 3201 B17R3.1818 CN(C1CC1)C2CCCc3c2cccc3 2230a_100000737456_200000210301 [0,0,0,1,0,1|0,0,2]=4 3202 B17R3.1818 CN(C1CC1)C2CCCc3c2cccc3 269982a_100000185324_100000211595 [0,0,0,1,0,1|0,0,2]=4 3203 B17R3.1818 CN(C1CC1)C2CCCc3c2cccc3 269982a_100000737456_200000210301 [0,0,0,1,0,1|0,0,2]=4 3204 B17R3.1818 CN(C1CC1)C2CCCc3c2cccc3 34a_100000185324_100000211595 [0,0,0,1,0,1|0,0,2]=4 3205 B17R3.1818 CN(C1CC1)C2CCCc3c2cccc3 34a_100000737456_200000210301 [0,0,0,1,0,1|0,0,2]=4 3206 B17R3.1818 [13CH3]N(C1CC1)C2CCCc3c2cccc3 2230a_100000737456_200025704644 [0,0,0,1,0,1|0,0,2]=4 3207 B17R3.1818 [13CH3]N(C1CC1)C2CCCc3c2cccc3 269982a_100000737456_200025704644 [0,0,0,1,0,1|0,0,2]=4 3208 B17R3.1818 [13CH3]N(C1CC1)C2CCCc3c2cccc3 34a_100000737456_200025704644 [0,0,0,1,0,1|0,0,2]=4 3209 B17R3.8 C1=CCN(CC1)C2CCc3c2cccc3 2230a_100000698166_200000721974 [0,1,0,1,0,0|0,0,2]=4 3210 B17R3.8 C1=CCN(CC1)C2CCc3c2cccc3 269982a_100000698166_200000721974 [0,1,0,1,0,0|0,0,2]=4 3211 B17R3.8 c1ccc2c(c1)CCC2N3CCCOC3 2230a_100000131196_200000721974 [0,1,0,1,0,0|0,0,2]=4 3212 B17R3.8 c1ccc2c(c1)CCC2N3CCCOC3 269982a_100000131196_200000721974 [0,1,0,1,0,0|0,0,2]=4 3213 B17R3.8 c1ccc2c(c1)CCC2N3CCOCC3 2230a_100015191051_200000721974 [0,1,0,1,0,0|0,0,2]=4 3214 B17R3.8 c1ccc2c(c1)CCC2N3CCOCC3 269982a_100015191051_200000721974 [0,1,0,1,0,0|0,0,2]=4 3215 B17R3.8 c1ccc2c(c1)CCC2N3CCSCC3 2230a_100000737611_200000721974 [0,1,0,1,0,0|0,0,2]=4 3216 B17R3.8 c1ccc2c(c1)CCC2N3CCSCC3 269982a_100000737611_200000721974 [0,1,0,1,0,0|0,0,2]=4 3217 B17R3.26 C[C@@H]1CCN(C1)C2CCc3c2cccc3 2230a_100016987628_200000721974 [0,1,0,1,0,0|0,0,2]=4 3218 B17R3.26 C[C@@H]1CCN(C1)C2CCc3c2cccc3 269982a_100016987628_200000721974 [0,1,0,1,0,0|0,0,2]=4 3219 B17R3.26 F[C@H]1CCN(C1)C2CCc3c2cccc3 2230a_100015203821_200000721974 [0,1,0,1,0,0|0,0,2]=4 3220 B17R3.26 F[C@H]1CCN(C1)C2CCc3c2cccc3 269982a_100015203821_200000721974 [0,1,0,1,0,0|0,0,2]=4 3221 B17R3.26 O=C1CN(CN1)C2CCc3c2cccc3 2230a_200000708111_200000721974 [0,1,0,1,0,0|1,0,1]=4 3222 B17R3.26 OC1CCN(C1)C2CCc3c2cccc3 2230a_100011215560_200000721974 [0,1,0,1,0,0|0,0,2]=4 3223 B17R3.26 OC1CCN(C1)C2CCc3c2cccc3 269982a_100011215560_200000721974 [0,1,0,1,0,0|0,0,2]=4 3224 B17R3.194 CCC1CN(C1)C2CCc3c2cccc3 2230a_100015205115_200000721974 [0,1,0,1,0,0|0,0,2]=4 3225 B17R3.194 CCC1CN(C1)C2CCc3c2cccc3 269982a_100015205115_200000721974 [0,1,0,1,0,0|0,0,2]=4 3226 B17R3.194 COC1CN(C1)C2CCc3c2cccc3 269982a_100000755009_200000721974 [0,1,0,1,0,0|0,0,2]=4 3227 B17R3.194 CSC1CN(C1)C2CCc3c2cccc3 269982a_100016990038_200000721974 [0,1,0,1,0,0|0,0,2]=4 3228 B17R3.194 FCC1CN(C1)C2CCc3c2cccc3 269982a_100010363649_200000721974 [0,1,0,1,0,0|0,0,2]=4 3229 B17R3.194 OCC1CN(C1)C2CCc3c2cccc3 269982a_100016987283_200000721974 [0,1,0,1,0,0|0,0,2]=4 3230 B17R3.1817 CN(C1CCC1)C2CCc3c2cccc3 2230a_100000758072_200000721974 [0,1,0,1,0,0|0,0,2]=4 3231 B17R3.1817 CN(C1CCC1)C2CCc3c2cccc3 269982a_100000758072_200000721974 [0,1,0,1,0,0|0,0,2]=4 3232 B17R3.1817 CN(C1COC1)C2CCc3c2cccc3 2230a_100102693430_200000721974 [0,1,0,1,0,0|0,0,2]=4 3233 B17R3.1817 CN(C1COC1)C2CCc3c2cccc3 269982a_100102693430_200000721974 [0,1,0,1,0,0|0,0,2]=4 3234 B17R3.9637 CN(CC1CC1)C2CCc3c2cccc3 2230a_100000741881_200000721974 [0,1,0,1,0,0|0,0,2]=4 3235 B17R3.9637 CN(CC1CC1)C2CCc3c2cccc3 269982a_100000741881_200000721974 [0,1,0,1,0,0|0,0,2]=4 3236 B17R3.2005 CCN(C1CC1)C2CCc3c2cccc3 2230a_100000738653_200000721974 [0,1,0,1,0,0|0,0,2]=4 3237 B17R3.2005 CCN(C1CC1)C2CCc3c2cccc3 2230a_100000743053_100000210202 [0,1,0,1,0,0|0,0,2]=4 3238 B17R3.2005 CCN(C1CC1)C2CCc3c2cccc3 269982a_100000738653_200000721974 [0,1,0,1,0,0|0,0,2]=4 3239 B17R3.2005 CCN(C1CC1)C2CCc3c2cccc3 269982a_100000743053_100000204670 [0,1,0,1,0,0|0,0,2]=4 3240 B17R3.2005 FCN(C1CC1)C2CCc3c2cccc3 269982a_100000743053_100015361967 [0,1,0,1,0,0|0,0,2]=4 3241 B17R3.3324 C[C@H]1[C@H](CN1C2CCc3c2cccc3)O 2230a_206633788156_200000721974 [0,1,0,1,0,0|1,0,1]=4 3242 B17R3.3324 C[C@H]1[C@H](CN1C2CCc3c2cccc3)O 269982a_206633788156_200000721974 [0,1,0,1,0,0|1,0,1]=4 3243 B17R3.20278 CC1(CN(C1)C2CCc3c2cccc3)C 2230a_100000753659_200000721974 [0,1,0,1,0,0|0,0,2]=4 3244 B17R3.20278 CC1(CN(C1)C2CCc3c2cccc3)C 269982a_100000753659_200000721974 [0,1,0,1,0,0|0,0,2]=4 3245 B17R3.20278 CC1(CN(C1)C2CCc3c2cccc3)F 2230a_100000696199_200000721974 [0,1,0,1,0,0|0,0,2]=4 3246 B17R3.20278 CC1(CN(C1)C2CCc3c2cccc3)F 269982a_100000696199_200000721974 [0,1,0,1,0,0|0,0,2]=4 3247 B17R3.20278 CC1(CN(C1)C2CCc3c2cccc3)O 2230a_100000718560_200000721974 [0,1,0,1,0,0|0,0,2]=4 3248 B17R3.20278 CC1(CN(C1)C2CCc3c2cccc3)O 269982a_100000718560_200000721974 [0,1,0,1,0,0|0,0,2]=4 3249 B17R3.20278 FC1(CN(C1)C2CCc3c2cccc3)F 2230a_100000684464_200000721974 [0,1,0,1,0,0|1,0,1]=4 3250 B17R3.20278 FC1(CN(C1)C2CCc3c2cccc3)F 269982a_100000684464_200000721974 [0,1,0,1,0,0|1,0,1]=4 3251 B13R1.42 C#CCC(=O)CCc1ccccc1 1458a_100000185753_100000184674 [0,0,1,0,1,0|2,0,0]=4 3252 B13R1.42 C#CCC(=O)CCc1ccccc1 1458a_100011220946_100000765856 [0,0,1,0,1,0|2,0,0]=4 3253 B13R1.42 C#CCC(C)OCc1ccccc1 34a_100000685586_100015291786 [0,0,1,0,1,0|2,0,0]=4 3254 B13R1.42 C#CCC(C)OCc1ccccc1 7a_100000685586_100000211182 [0,0,1,0,1,0|2,0,0]=4 3255 B13R1.42 C#CCN(C)CCc1ccccc1 2230a_100000207497_100000038162 [0,0,1,0,1,0|0,0,0]=2 3256 B13R1.42 C#CCN(C)CCc1ccccc1 2230a_100000225692_100000765856 [0,0,1,0,1,0|0,0,0]=2 3257 B13R1.42 C#CCN(C)CCc1ccccc1 34a_100000225692_100000765856 [0,0,1,0,1,0|0,0,0]=2 3258 B13R1.42 C#CCN(C)CCc1ccccn1 2230a_100000225692_100015183660 [0,0,1,0,1,0|1,0,0]=3 3259 B13R1.42 C#CCN(C)CCc1ccccn1 2230a_100000737206_100000038162 [0,0,1,0,1,0|1,0,0]=3 3260 B13R1.42 C#CCN(C)CCc1cccnc1 2230a_100000225692_200011713674 [0,0,1,0,1,0|1,0,0]=3 3261 B13R1.42 C#CCN(C)CCc1cccnc1 2230a_100000763209_100000038162 [0,0,1,0,1,0|1,0,0]=3 3262 B13R1.42 C#CCN(C)CCc1ccncc1 2230a_100000225692_100000723409 [0,0,1,0,1,0|1,0,0]=3 3263 B13R1.42 C#CCN(C)CCc1ccncc1 2230a_100000742850_100000038162 [0,0,1,0,1,0|1,0,0]=3 3264 B13R1.42 C#CCN(C)CSc1ccccc1 2230a_100000225692_100011218342 [0,0,1,0,1,0|1,0,0]=3 3265 B13R1.42 C=CCN(C)CCc1ccccc1 2230a_100000207497_100000210623 [0,0,1,0,1,0|0,0,2]=4 3266 B13R1.42 C=CCN(C)CCc1ccccc1 2230a_100000225617_100000765856 [0,0,1,0,1,0|0,0,2]=4 3267 B13R1.42 C=CCN(C)CCc1ccccc1 269982a_100000207497_100000210623 [0,0,1,0,1,0|0,0,2]=4 3268 B13R1.42 C=CCN(C)CCc1ccccc1 269982a_100000225617_100000765856 [0,0,1,0,1,0|0,0,2]=4 3269 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000207497_100000210303 [0,0,1,0,1,0|0,0,2]=4 3270 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000747261_100000765856 [0,0,1,0,1,0|0,0,2]=4 3271 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000207497_100000210303 [0,0,1,0,1,0|0,0,2]=4 3272 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000747261_100000765856 [0,0,1,0,1,0|0,0,2]=4 3273 B13R1.42 CN(CC#N)CCc1ccccc1 2230a_100000207497_100011215382 [0,0,1,0,1,0|1,0,0]=3 3274 B13R1.42 CN(CC#N)CCc1ccccc1 2230a_100000748184_100000765856 [0,0,1,0,1,0|1,0,0]=3 3275 B13R1.42 CN(CC#N)CCc1ccccc1 269982a_100000207497_100011214920 [0,0,1,0,1,0|1,0,0]=3 3276 B13R1.42 CN(CC#N)CCc1ccccn1 2230a_100000737206_100011215382 [0,0,1,0,1,0|2,0,0]=4 3277 B13R1.42 CN(CC#N)CCc1ccccn1 2230a_100000748184_100015183660 [0,0,1,0,1,0|2,0,0]=4 3278 B13R1.42 CN(CC#N)CCc1ccccn1 269982a_100000737206_100011214920 [0,0,1,0,1,0|2,0,0]=4 3279 B13R1.42 CN(CC#N)CCc1cccnc1 2230a_100000748184_200011713674 [0,0,1,0,1,0|2,0,0]=4 3280 B13R1.42 CN(CC#N)CCc1cccnc1 2230a_100000763209_100011215382 [0,0,1,0,1,0|2,0,0]=4 3281 B13R1.42 CN(CC#N)CCc1cccnc1 269982a_100000763209_100011214920 [0,0,1,0,1,0|2,0,0]=4 3282 B13R1.42 CN(CC#N)CCc1ccncc1 2230a_100000742850_100011215382 [0,0,1,0,1,0|2,0,0]=4 3283 B13R1.42 CN(CC#N)CCc1ccncc1 2230a_100000748184_100000723409 [0,0,1,0,1,0|2,0,0]=4 3284 B13R1.42 CN(CC#N)CCc1ccncc1 269982a_100000742850_100011214920 [0,0,1,0,1,0|2,0,0]=4 3285 B13R1.42 CN(CC#N)CSc1ccccc1 2230a_100000748184_100011218342 [0,0,1,0,1,0|2,0,0]=4 3286 B13R1.42 CN(CC=O)CCc1ccccc1 2230a_100000207497_200015260668 [0,0,1,0,1,0|1,0,1]=4 3287 B13R1.42 CN(CC=O)CCc1ccccc1 269982a_100000207497_200015260668 [0,0,1,0,1,0|1,0,1]=4 3288 B13R1.42 CN(CCF)CCc1ccccc1 2230a_100000207497_100011217306 [0,0,1,0,1,0|1,0,1]=4 3289 B13R1.42 CN(CCF)CCc1ccccc1 269982a_100000207497_100011217306 [0,0,1,0,1,0|1,0,1]=4 3290 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000207497_100000211926 [0,0,1,0,1,0|1,0,1]=4 3291 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000210263_100000765856 [0,0,1,0,1,0|1,0,1]=4 3292 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000207497_100000211926 [0,0,1,0,1,0|1,0,1]=4 3293 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000210263_100000765856 [0,0,1,0,1,0|1,0,1]=4 3294 B13R1.42 COCN(C)CCc1ccccc1 2230a_100000207497_100000766300 [0,0,1,0,1,0|1,0,1]=4 3295 B13R1.42 COCN(C)CCc1ccccc1 269982a_100000207497_100000766300 [0,0,1,0,1,0|1,0,1]=4 3296 B13R1.42 CSCN(C)CCc1ccccc1 2230a_100000207497_100011218213 [0,0,1,0,1,0|1,0,1]=4 3297 B13R1.42 CSCN(C)CCc1ccccc1 269982a_100000207497_100011218213 [0,0,1,0,1,0|1,0,1]=4 3298 B13R1.404 C#CCN(C)CCCc1cccs1 2230a_100000225692_100010992444 [0,0,1,0,1,0|1,0,0]=3 3299 B13R1.404 C#CCN(C)CCCc1cccs1 34a_100000225692_100010992444 [0,0,1,0,1,0|1,0,0]=3 3300 B13R1.404 C#CCN(C)CCCn1cccc1 2230a_100000225692_200009814367 [0,0,1,0,1,0|1,0,0]=3 3301 B13R1.404 C#CCN(C)CCCn1cccc1 34a_100000225692_200009814367 [0,0,1,0,1,0|1,0,0]=3 3302 B13R1.404 C#CCN(C)CCCn1cccn1 2230a_100000225692_100000739983 [0,0,1,0,1,0|2,0,0]=4 3303 B13R1.404 C#CCN(C)CCCn1ccnc1 2230a_100000225692_100000756272 [0,0,1,0,1,0|2,0,0]=4 3304 B13R1.404 C#CCN(C)CCCn1ccnc1 34a_100000225692_100000756272 [0,0,1,0,1,0|2,0,0]=4 3305 B13R1.404 CN(CC#N)CCCc1cccs1 2230a_100000748184_100010992444 [0,0,1,0,1,0|2,0,0]=4 3306 B13R1.404 CN(CC#N)CCCn1cccc1 2230a_100000748184_200009814367 [0,0,1,0,1,0|2,0,0]=4 3307 B13R1.443 C#CCN(C)Cc1cccn1CC 270004a_100000225692_100011302050 [0,0,1,0,1,0|1,0,0]=3 3308 B13R1.443 C#CCN(C)Cc1ccnn1CC 2230a_100000225692_100025719316 [0,0,1,0,1,0|2,0,0]=4 3309 B13R1.443 C#CCN(C)Cc1ccnn1CC 270004a_100000225692_100000763647 [0,0,1,0,1,0|2,0,0]=4 3310 B13R1.443 C#CCN(C)Cc1ccnn1CC 34a_100000225692_100025719316 [0,0,1,0,1,0|2,0,0]=4 3311 B13R1.443 C#CCN(C)Cc1cncn1CC 2230a_100000225692_100015185705 [0,0,1,0,1,0|2,0,0]=4 3312 B13R1.443 C#CCN(C)Cc1cncn1CC 270004a_100000225692_100011361554 [0,0,1,0,1,0|2,0,0]=4 3313 B13R1.443 C#CCN(C)Cc1cncn1CC 34a_100000225692_100015185705 [0,0,1,0,1,0|2,0,0]=4 3314 B13R1.443 C#CCN(C)Cc1nccn1CC 2230a_100011628387_100000038162 [0,0,1,0,1,0|2,0,0]=4 3315 B13R1.443 C#CCN(C)Cc1nccn1CC 270004a_100000225692_100000748659 [0,0,1,0,1,0|2,0,0]=4 3316 B13R1.443 C#CCN(C)Cc1occc1OC 270004a_100000225692_200009856553 [0,0,1,0,1,0|2,0,0]=4 3317 B13R1.443 C#CCN(C)Cc1sccc1OC 270004a_100000225692_100000689126 [0,0,1,0,1,0|2,0,0]=4 3318 B13R1.464 C#CCC(=O)c1ccccc1CC 1458a_100000689120_100000184674 [0,0,1,0,1,0|2,0,0]=4 3319 B13R1.464 C#CCN(C)c1ccccc1C#N 2230a_100000744078_100000038162 [0,0,1,0,1,0|1,0,1]=4 3320 B13R1.464 C#CCN(C)c1ccccc1OC 2230a_100000219746_100000038162 [0,0,1,0,1,0|1,0,0]=3 3321 B13R1.464 C#CCN(C)c1ccccc1OC 34a_100000219746_100000184674 [0,0,1,0,1,0|1,0,0]=3 3322 B13R1.464 C#CCN(C)c1ccncc1CO 27a_100000225692_100000117392 [0,0,1,0,1,0|2,0,0]=4 3323 B13R1.464 C#CCN(C)c1cncnc1CC 27a_100000225692_100009816992 [0,0,1,0,1,0|2,0,0]=4 3324 B13R1.464 C#CCN(C)c1nccnc1CC 27a_100000225692_100011995844 [0,0,1,0,1,0|2,0,0]=4 3325 B13R1.464 C#CCN(C)c1ncncc1CC 27a_100000225692_200000100055 [0,0,1,0,1,0|2,0,0]=4 3326 B13R1.464 COc1ccccc1N(C)CC#N 2230a_100000219746_100011215382 [0,0,1,0,1,0|2,0,0]=4 3327 B13R1.464 COc1ccccc1N(C)CC#N 269982a_100000219746_100011214920 [0,0,1,0,1,0|2,0,0]=4 3328 B13R2.1028 C#CCSC1Cc2c1cccc2 62a_100000038162_100009813401 [1,0,0,0,1,0|1,0,0]=3 3329 B13R2.1028 N#CCSC1Cc2c1cccc2 62a_100009813401_100011215382 [1,0,0,0,1,0|2,0,0]=4 3330 B13R2.1028 N#CCSC1Cc2c1cccc2 62a_100011215382_100009813401 [1,0,0,0,1,0|2,0,0]=4 3331 B13R2.15272 CCN(C)C1Cc2c1cccc2 269982a_100000225621_100009813401 [1,0,0,0,1,0|0,0,1]=3 3332 B15R1.778 C#CCC(=O)CCCCc1ccccc1 1458a_100011215911_100000184674 [0,0,1,0,0,1|2,0,0]=4 3333 B15R1.778 C#CCC(=O)CCCCc1ccccc1 1458a_100011220946_100000701786 [0,0,1,0,0,1|2,0,0]=4 3334 B15R1.778 C#CCC(=O)CCCOc1ccccc1 1458a_100000212059_100000184674 [0,0,1,0,0,1|2,0,0]=4 3335 B15R1.778 C#CCC(=O)CCCOc1ccccc1 1458a_100011220946_100000199009 [0,0,1,0,0,1|2,0,0]=4 3336 B15R1.778 C#CCC(=O)CCCSc1ccccc1 1458a_100000182835_100000184674 [0,0,1,0,0,1|2,0,0]=4 3337 B15R1.778 C#CCC(=O)CCCSc1ccccc1 1458a_100011220946_200011203293 [0,0,1,0,0,1|2,0,0]=4 3338 B15R1.778 C#CCC(=O)CCOCc1ccccc1 1458a_100000743319_100000184674 [0,0,1,0,0,1|2,0,0]=4 3339 B15R1.778 C#CCC(=O)CCOCc1ccccc1 1458a_100011220946_100000234347 [0,0,1,0,0,1|2,0,0]=4 3340 B15R1.778 C#CCC(=O)CCSCc1ccccc1 1458a_100000173759_100000184674 [0,0,1,0,0,1|2,0,0]=4 3341 B15R1.778 C#CCC(=O)CCSCc1ccccc1 1458a_100011220946_200011297719 [0,0,1,0,0,1|2,0,0]=4 3342 B15R1.778 C#CCC(=O)NCCCc1ccccc1 1626a_100000211184_100011220946 [0,0,1,0,0,1|2,0,0]=4 3343 B15R1.778 C#CCC(=O)NCCCc1ccccc1 527a_100000211184_100011220946 [0,0,1,0,0,1|2,0,0]=4 3344 B15R1.778 C#CCC(C)OCCCc1ccccc1 34a_100000685586_100000211621 [0,0,1,0,0,1|1,0,0]=3 3345 B15R1.778 C#CCC(C)OCCCc1ccccc1 7a_100000685586_100000211621 [0,0,1,0,0,1|1,0,0]=3 3346 B15R1.778 C#CCC(C)OCCOc1ccccc1 34a_100000685586_100000184471 [0,0,1,0,0,1|2,0,0]=4 3347 B15R1.778 C#CCC(C)OCCOc1ccccc1 7a_100000685586_100000184471 [0,0,1,0,0,1|2,0,0]=4 3348 B15R1.778 C#CCC(C)OCCSc1ccccc1 34a_100000685586_100000246102 [0,0,1,0,0,1|2,0,0]=4 3349 B15R1.778 C#CCC(C)OCCSc1ccccc1 7a_100000685586_100000246102 [0,0,1,0,0,1|2,0,0]=4 3350 B15R1.778 C#CCC(C)OCOCc1ccccc1 34a_100000685586_100000763385 [0,0,1,0,0,1|2,0,0]=4 3351 B15R1.778 C#CCC(C)OCSCc1ccccc1 34a_100000685586_200011217039 [0,0,1,0,0,1|2,0,0]=4 3352 B15R1.778 C#CCN(C)CCCCc1ccccc1 2230a_100000225692_100000701786 [0,0,1,0,0,1|0,0,0]=2 3353 B15R1.778 C#CCN(C)CCCCc1ccccc1 2230a_100000741445_100000038162 [0,0,1,0,0,1|0,0,0]=2 3354 B15R1.778 C#CCN(C)CCCCc1ccccc1 34a_100000225692_100000701786 [0,0,1,0,0,1|0,0,0]=2 3355 B15R1.778 C#CCN(C)CCCCc1ccccc1 34a_100000741445_100000184674 [0,0,1,0,0,1|0,0,0]=2 3356 B15R1.778 C#CCN(C)CCCCc1ccncc1 2230a_100000225692_100020630000 [0,0,1,0,0,1|1,0,0]=3 3357 B15R1.778 C#CCN(C)CCCOc1ccccc1 2230a_100000225623_100000038162 [0,0,1,0,0,1|0,0,0]=2 3358 B15R1.778 C#CCN(C)CCCOc1ccccc1 2230a_100000225692_100000199009 [0,0,1,0,0,1|0,0,0]=2 3359 B15R1.778 C#CCN(C)CCCOc1ccccc1 34a_100000225692_100000199009 [0,0,1,0,0,1|0,0,0]=2 3360 B15R1.778 C#CCN(C)CCCSc1ccccc1 2230a_100000225692_200011203293 [0,0,1,0,0,1|0,0,0]=2 3361 B15R1.778 C#CCN(C)CCCSc1ccccc1 2230a_100015183843_100000038162 [0,0,1,0,0,1|0,0,0]=2 3362 B15R1.778 C#CCN(C)CCCSc1ccccc1 34a_100000225692_200011203293 [0,0,1,0,0,1|0,0,0]=2 3363 B15R1.778 C#CCN(C)CCOCc1ccccc1 2230a_100000225692_100000234347 [0,0,1,0,0,1|0,0,0]=2 3364 B15R1.778 C#CCN(C)CCOCc1ccccc1 2230a_100000687121_100000038162 [0,0,1,0,0,1|0,0,0]=2 3365 B15R1.778 C#CCN(C)CCOCc1ccccc1 34a_100000225692_100000234347 [0,0,1,0,0,1|0,0,0]=2 3366 B15R1.778 C#CCN(C)CCSCc1ccccc1 2230a_100000225692_200011297719 [0,0,1,0,0,1|0,0,0]=2 3367 B15R1.778 C#CCN(C)CCSCc1ccccc1 34a_100000225692_200011297719 [0,0,1,0,0,1|0,0,0]=2 3368 B15R1.778 C=CCN(C)CCCCc1ccccc1 2230a_100000225617_100000701786 [0,0,1,0,0,1|0,0,2]=4 3369 B15R1.778 C=CCN(C)CCCCc1ccccc1 2230a_100000741445_100000210623 [0,0,1,0,0,1|0,0,2]=4 3370 B15R1.778 C=CCN(C)CCCCc1ccccc1 269982a_100000225617_100000701786 [0,0,1,0,0,1|0,0,2]=4 3371 B15R1.778 C=CCN(C)CCCCc1ccccc1 269982a_100000741445_100000210623 [0,0,1,0,0,1|0,0,2]=4 3372 B15R1.778 C=CCN(C)CCCCc1ccccc1 34a_100000741445_100015514636 [0,0,1,0,0,1|0,0,2]=4 3373 B15R1.778 C=CCN(C)CCCOc1ccccc1 2230a_100000225617_100000199009 [0,0,1,0,0,1|0,0,2]=4 3374 B15R1.778 C=CCN(C)CCCOc1ccccc1 2230a_100000225623_100000210623 [0,0,1,0,0,1|0,0,2]=4 3375 B15R1.778 C=CCN(C)CCCOc1ccccc1 269982a_100000225617_100000199009 [0,0,1,0,0,1|0,0,2]=4 3376 B15R1.778 C=CCN(C)CCCOc1ccccc1 269982a_100000225623_100000210623 [0,0,1,0,0,1|0,0,2]=4 3377 B15R1.778 C=CCN(C)CCCSc1ccccc1 2230a_100000225617_200011203293 [0,0,1,0,0,1|0,0,2]=4 3378 B15R1.778 C=CCN(C)CCCSc1ccccc1 2230a_100015183843_100000210623 [0,0,1,0,0,1|0,0,2]=4 3379 B15R1.778 C=CCN(C)CCCSc1ccccc1 269982a_100000225617_200011203293 [0,0,1,0,0,1|0,0,2]=4 3380 B15R1.778 C=CCN(C)CCCSc1ccccc1 269982a_100015183843_100000210623 [0,0,1,0,0,1|0,0,2]=4 3381 B15R1.778 C=CCN(C)CCOCc1ccccc1 2230a_100000225617_100000234347 [0,0,1,0,0,1|0,0,2]=4 3382 B15R1.778 C=CCN(C)CCOCc1ccccc1 2230a_100000687121_100000210623 [0,0,1,0,0,1|0,0,2]=4 3383 B15R1.778 C=CCN(C)CCOCc1ccccc1 269982a_100000225617_100000234347 [0,0,1,0,0,1|0,0,2]=4 3384 B15R1.778 C=CCN(C)CCOCc1ccccc1 269982a_100000687121_100000210623 [0,0,1,0,0,1|0,0,2]=4 3385 B15R1.778 C=CCN(C)CCSCc1ccccc1 2230a_100000225617_200011297719 [0,0,1,0,0,1|0,0,2]=4 3386 B15R1.778 C=CCN(C)CCSCc1ccccc1 269982a_100000225617_200011297719 [0,0,1,0,0,1|0,0,2]=4 3387 B15R1.778 CC(CC#N)NCCCc1ccccc1 2230a_100000211184_100009813641 [0,0,1,0,0,1|2,0,0]=4 3388 B15R1.778 CC(CC#N)OCCCc1ccccc1 7a_100000210828_100009813641 [0,0,1,0,0,1|2,0,0]=4 3389 B15R1.778 CC(CC#N)SCCCc1ccccc1 62a_100000211621_100009813641 [0,0,1,0,0,1|2,0,0]=4 3390 B15R1.778 CC(CC#N)SCCCc1ccccc1 62a_100009813641_100000211621 [0,0,1,0,0,1|2,0,0]=4 3391 B15R1.778 CCCN(C)CCCCc1ccccc1 2230a_100000741445_100000210303 [0,0,1,0,0,1|0,0,2]=4 3392 B15R1.778 CCCN(C)CCCCc1ccccc1 2230a_100000747261_100000701786 [0,0,1,0,0,1|0,0,2]=4 3393 B15R1.778 CCCN(C)CCCCc1ccccc1 269982a_100000741445_100000210303 [0,0,1,0,0,1|0,0,2]=4 3394 B15R1.778 CCCN(C)CCCCc1ccccc1 269982a_100000747261_100000701786 [0,0,1,0,0,1|0,0,2]=4 3395 B15R1.778 CCCN(C)CCCCc1ccccc1 34a_100000741445_100000210303 [0,0,1,0,0,1|0,0,2]=4 3396 B15R1.778 CCCN(C)CCCOc1ccccc1 2230a_100000225623_100000210303 [0,0,1,0,0,1|0,0,2]=4 3397 B15R1.778 CCCN(C)CCCOc1ccccc1 2230a_100000747261_100000199009 [0,0,1,0,0,1|0,0,2]=4 3398 B15R1.778 CCCN(C)CCCOc1ccccc1 269982a_100000225623_100000210303 [0,0,1,0,0,1|0,0,2]=4 3399 B15R1.778 CCCN(C)CCCOc1ccccc1 269982a_100000747261_100000199009 [0,0,1,0,0,1|0,0,2]=4 3400 B15R1.778 CCCN(C)CCCSc1ccccc1 2230a_100000747261_200011203293 [0,0,1,0,0,1|0,0,2]=4 3401 B15R1.778 CCCN(C)CCCSc1ccccc1 2230a_100015183843_100000210303 [0,0,1,0,0,1|0,0,2]=4 3402 B15R1.778 CCCN(C)CCCSc1ccccc1 269982a_100000747261_200011203293 [0,0,1,0,0,1|0,0,2]=4 3403 B15R1.778 CCCN(C)CCCSc1ccccc1 269982a_100015183843_100000210303 [0,0,1,0,0,1|0,0,2]=4 3404 B15R1.778 CCCN(C)CCOCc1ccccc1 2230a_100000687121_100000210303 [0,0,1,0,0,1|0,0,2]=4 3405 B15R1.778 CCCN(C)CCOCc1ccccc1 2230a_100000747261_100000234347 [0,0,1,0,0,1|0,0,2]=4 3406 B15R1.778 CCCN(C)CCOCc1ccccc1 269982a_100000687121_100000210303 [0,0,1,0,0,1|0,0,2]=4 3407 B15R1.778 CCCN(C)CCOCc1ccccc1 269982a_100000747261_100000234347 [0,0,1,0,0,1|0,0,2]=4 3408 B15R1.778 CCCN(C)CCSCc1ccccc1 2230a_100000747261_200011297719 [0,0,1,0,0,1|0,0,2]=4 3409 B15R1.778 CCCN(C)CCSCc1ccccc1 269982a_100000747261_200011297719 [0,0,1,0,0,1|0,0,2]=4 3410 B15R1.778 CN(CC#N)CCCCc1ccccc1 2230a_100000741445_100011215382 [0,0,1,0,0,1|1,0,0]=3 3411 B15R1.778 CN(CC#N)CCCCc1ccccc1 2230a_100000748184_100000701786 [0,0,1,0,0,1|1,0,0]=3 3412 B15R1.778 CN(CC#N)CCCCc1ccccc1 269982a_100000741445_100011214920 [0,0,1,0,0,1|1,0,0]=3 3413 B15R1.778 CN(CC#N)CCCCc1ccncc1 2230a_100000748184_100020630000 [0,0,1,0,0,1|2,0,0]=4 3414 B15R1.778 CN(CC#N)CCCOc1ccccc1 2230a_100000225623_100011215382 [0,0,1,0,0,1|1,0,0]=3 3415 B15R1.778 CN(CC#N)CCCOc1ccccc1 2230a_100000748184_100000199009 [0,0,1,0,0,1|1,0,0]=3 3416 B15R1.778 CN(CC#N)CCCOc1ccccc1 269982a_100000225623_100011214920 [0,0,1,0,0,1|1,0,0]=3 3417 B15R1.778 CN(CC#N)CCCSc1ccccc1 2230a_100000748184_200011203293 [0,0,1,0,0,1|1,0,0]=3 3418 B15R1.778 CN(CC#N)CCCSc1ccccc1 2230a_100015183843_100011215382 [0,0,1,0,0,1|1,0,0]=3 3419 B15R1.778 CN(CC#N)CCCSc1ccccc1 269982a_100015183843_100011214920 [0,0,1,0,0,1|1,0,0]=3 3420 B15R1.778 CN(CC#N)CCOCc1ccccc1 2230a_100000687121_100011215382 [0,0,1,0,0,1|1,0,0]=3 3421 B15R1.778 CN(CC#N)CCOCc1ccccc1 2230a_100000748184_100000234347 [0,0,1,0,0,1|1,0,0]=3 3422 B15R1.778 CN(CC#N)CCOCc1ccccc1 269982a_100000687121_100011214920 [0,0,1,0,0,1|1,0,0]=3 3423 B15R1.778 CN(CC#N)CCSCc1ccccc1 2230a_100000748184_200011297719 [0,0,1,0,0,1|1,0,0]=3 3424 B15R1.778 CN(CC=O)CCCCc1ccccc1 2230a_100000741445_200015260668 [0,0,1,0,0,1|1,0,1]=4 3425 B15R1.778 CN(CC=O)CCCCc1ccccc1 269982a_100000741445_200015260668 [0,0,1,0,0,1|1,0,1]=4 3426 B15R1.778 CN(CC=O)CCCCc1ccccc1 34a_100000741445_200009817547 [0,0,1,0,0,1|1,0,1]=4 3427 B15R1.778 CN(CC=O)CCCOc1ccccc1 2230a_100000225623_200015260668 [0,0,1,0,0,1|1,0,1]=4 3428 B15R1.778 CN(CC=O)CCCOc1ccccc1 269982a_100000225623_200015260668 [0,0,1,0,0,1|1,0,1]=4 3429 B15R1.778 CN(CC=O)CCCSc1ccccc1 2230a_100015183843_200015260668 [0,0,1,0,0,1|1,0,1]=4 3430 B15R1.778 CN(CC=O)CCCSc1ccccc1 269982a_100015183843_200015260668 [0,0,1,0,0,1|1,0,1]=4 3431 B15R1.778 CN(CC=O)CCOCc1ccccc1 2230a_100000687121_200015260668 [0,0,1,0,0,1|1,0,1]=4 3432 B15R1.778 CN(CC=O)CCOCc1ccccc1 269982a_100000687121_200015260668 [0,0,1,0,0,1|1,0,1]=4 3433 B15R1.778 CN(CCF)CCCCc1ccccc1 2230a_100000741445_100011217306 [0,0,1,0,0,1|1,0,1]=4 3434 B15R1.778 CN(CCF)CCCCc1ccccc1 269982a_100000741445_100011217306 [0,0,1,0,0,1|1,0,1]=4 3435 B15R1.778 CN(CCF)CCCCc1ccccc1 34a_100000741445_100011217306 [0,0,1,0,0,1|1,0,1]=4 3436 B15R1.778 CN(CCF)CCCOc1ccccc1 2230a_100000225623_100011217306 [0,0,1,0,0,1|1,0,1]=4 3437 B15R1.778 CN(CCF)CCCOc1ccccc1 269982a_100000225623_100011217306 [0,0,1,0,0,1|1,0,1]=4 3438 B15R1.778 CN(CCF)CCCSc1ccccc1 2230a_100015183843_100011217306 [0,0,1,0,0,1|1,0,1]=4 3439 B15R1.778 CN(CCF)CCCSc1ccccc1 269982a_100015183843_100011217306 [0,0,1,0,0,1|1,0,1]=4 3440 B15R1.778 CN(CCF)CCOCc1ccccc1 2230a_100000687121_100011217306 [0,0,1,0,0,1|1,0,1]=4 3441 B15R1.778 CN(CCF)CCOCc1ccccc1 269982a_100000687121_100011217306 [0,0,1,0,0,1|1,0,1]=4 3442 B15R1.778 CN(CCO)CCCCc1ccccc1 2230a_100000210263_100000701786 [0,0,1,0,0,1|1,0,1]=4 3443 B15R1.778 CN(CCO)CCCCc1ccccc1 2230a_100000741445_100000211926 [0,0,1,0,0,1|1,0,1]=4 3444 B15R1.778 CN(CCO)CCCCc1ccccc1 269982a_100000210263_100000701786 [0,0,1,0,0,1|1,0,1]=4 3445 B15R1.778 CN(CCO)CCCCc1ccccc1 269982a_100000741445_100000211926 [0,0,1,0,0,1|1,0,1]=4 3446 B15R1.778 CN(CCO)CCCCc1ccccc1 34a_100000741445_100000211926 [0,0,1,0,0,1|1,0,1]=4 3447 B15R1.778 CN(CCO)CCCOc1ccccc1 2230a_100000210263_100000199009 [0,0,1,0,0,1|1,0,1]=4 3448 B15R1.778 CN(CCO)CCCOc1ccccc1 2230a_100000225623_100000211926 [0,0,1,0,0,1|1,0,1]=4 3449 B15R1.778 CN(CCO)CCCOc1ccccc1 269982a_100000210263_100000199009 [0,0,1,0,0,1|1,0,1]=4 3450 B15R1.778 CN(CCO)CCCOc1ccccc1 269982a_100000225623_100000211926 [0,0,1,0,0,1|1,0,1]=4 3451 B15R1.778 CN(CCO)CCCSc1ccccc1 2230a_100000210263_200011203293 [0,0,1,0,0,1|1,0,1]=4 3452 B15R1.778 CN(CCO)CCCSc1ccccc1 2230a_100015183843_100000211926 [0,0,1,0,0,1|1,0,1]=4 3453 B15R1.778 CN(CCO)CCCSc1ccccc1 269982a_100000210263_200011203293 [0,0,1,0,0,1|1,0,1]=4 3454 B15R1.778 CN(CCO)CCCSc1ccccc1 269982a_100015183843_100000211926 [0,0,1,0,0,1|1,0,1]=4 3455 B15R1.778 CN(CCO)CCOCc1ccccc1 2230a_100000210263_100000234347 [0,0,1,0,0,1|1,0,1]=4 3456 B15R1.778 CN(CCO)CCOCc1ccccc1 2230a_100000687121_100000211926 [0,0,1,0,0,1|1,0,1]=4 3457 B15R1.778 CN(CCO)CCOCc1ccccc1 269982a_100000210263_100000234347 [0,0,1,0,0,1|1,0,1]=4 3458 B15R1.778 CN(CCO)CCOCc1ccccc1 269982a_100000687121_100000211926 [0,0,1,0,0,1|1,0,1]=4 3459 B15R1.778 CN(CCO)CCSCc1ccccc1 2230a_100000210263_200011297719 [0,0,1,0,0,1|1,0,1]=4 3460 B15R1.778 CN(CCO)CCSCc1ccccc1 269982a_100000210263_200011297719 [0,0,1,0,0,1|1,0,1]=4 3461 B15R1.778 COCN(C)CCCCc1ccccc1 2230a_100000741445_100000766300 [0,0,1,0,0,1|1,0,1]=4 3462 B15R1.778 COCN(C)CCCCc1ccccc1 269982a_100000741445_100000766300 [0,0,1,0,0,1|1,0,1]=4 3463 B15R1.778 COCN(C)CCCOc1ccccc1 2230a_100000225623_100000766300 [0,0,1,0,0,1|1,0,1]=4 3464 B15R1.778 COCN(C)CCCOc1ccccc1 269982a_100000225623_100000766300 [0,0,1,0,0,1|1,0,1]=4 3465 B15R1.778 COCN(C)CCCSc1ccccc1 2230a_100015183843_100000766300 [0,0,1,0,0,1|1,0,1]=4 3466 B15R1.778 COCN(C)CCCSc1ccccc1 269982a_100015183843_100000766300 [0,0,1,0,0,1|1,0,1]=4 3467 B15R1.778 COCN(C)CCOCc1ccccc1 2230a_100000687121_100000766300 [0,0,1,0,0,1|1,0,1]=4 3468 B15R1.778 COCN(C)CCOCc1ccccc1 269982a_100000687121_100000766300 [0,0,1,0,0,1|1,0,1]=4 3469 B15R1.778 CSCN(C)CCCCc1ccccc1 2230a_100000741445_100011218213 [0,0,1,0,0,1|1,0,1]=4 3470 B15R1.778 CSCN(C)CCCCc1ccccc1 269982a_100000741445_100011218213 [0,0,1,0,0,1|1,0,1]=4 3471 B15R1.778 CSCN(C)CCCCc1ccccc1 34a_100000741445_100011218213 [0,0,1,0,0,1|1,0,1]=4 3472 B15R1.778 CSCN(C)CCCOc1ccccc1 2230a_100000225623_100011218213 [0,0,1,0,0,1|1,0,1]=4 3473 B15R1.778 CSCN(C)CCCOc1ccccc1 269982a_100000225623_100011218213 [0,0,1,0,0,1|1,0,1]=4 3474 B15R1.778 CSCN(C)CCCSc1ccccc1 2230a_100015183843_100011218213 [0,0,1,0,0,1|1,0,1]=4 3475 B15R1.778 CSCN(C)CCCSc1ccccc1 269982a_100015183843_100011218213 [0,0,1,0,0,1|1,0,1]=4 3476 B15R1.778 CSCN(C)CCOCc1ccccc1 2230a_100000687121_100011218213 [0,0,1,0,0,1|1,0,1]=4 3477 B15R1.778 CSCN(C)CCOCc1ccccc1 269982a_100000687121_100011218213 [0,0,1,0,0,1|1,0,1]=4 3478 B15R1.778 C[C@@H](CC#N)NCCCc1ccccc1 2230a_100016994482_100000211621 [0,0,1,0,0,1|2,0,0]=4 3479 B15R1.640 C#CCC(=O)C(CC)Oc1ccccc1 1458a_100000211556_100000184674 [0,0,1,0,0,1|2,0,0]=4 3480 B15R1.640 C#CCC(=O)C(CC)Sc1ccccc1 1458a_100000230495_100000184674 [0,0,1,0,0,1|2,0,0]=4 3481 B15R1.640 C#CCN(C)C(CC)Cc1ccccc1 270004a_100000225692_100000212045 [0,0,1,0,0,1|0,0,0]=2 3482 B15R1.640 C#CCN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_100000038162 [0,0,1,0,0,1|1,0,0]=3 3483 B15R1.640 C=CCN(C)C(CC)Cc1ccccc1 270004a_100000225617_100000212045 [0,0,1,0,0,1|0,0,2]=4 3484 B15R1.640 CCC(Cc1ccccc1)N(C)CCO 270004a_100000210263_100000212045 [0,0,1,0,0,1|1,0,1]=4 3485 B15R1.640 CCCN(C)C(CC)Cc1ccccc1 270004a_100000747261_100000212045 [0,0,1,0,0,1|0,0,2]=4 3486 B15R1.640 CN(CC#N)[C@H](CO)Cc1ccccc1 2230a_100016995599_100011215382 [0,0,1,0,0,1|2,0,0]=4 3487 B15R1.640 CN(CC#N)[C@H](CO)Cc1ccccc1 269982a_100016995599_100011214920 [0,0,1,0,0,1|2,0,0]=4 3488 B15R1.1257 C#CCC(=O)NC(CC)c1ccccc1 1626a_100000737752_100011220946 [0,0,1,0,0,1|2,0,0]=4 3489 B15R1.1257 C#CCC(=O)NC(CC)c1ccccc1 527a_100000737752_100011220946 [0,0,1,0,0,1|2,0,0]=4 3490 B15R1.1257 C#CCN(C)CC(CC)c1ccccc1 270004a_100000225692_100000753018 [0,0,1,0,0,1|0,0,0]=2 3491 B15R1.1257 C=CCN(C)CC(CC)c1ccccc1 270004a_100000225617_100000753018 [0,0,1,0,0,1|0,0,2]=4 3492 B15R1.1257 CCC(CN(C)CCO)c1ccccc1 270004a_100000210263_100000753018 [0,0,1,0,0,1|1,0,1]=4 3493 B15R1.1257 CCC(NC(C)CC#N)c1ccccc1 2230a_100000737752_100009813641 [0,0,1,0,0,1|2,0,0]=4 3494 B15R1.1257 CCC(OC(C)CC#N)c1ccccc1 7a_100000698172_100009813641 [0,0,1,0,0,1|2,0,0]=4 3495 B15R1.1257 CCCN(C)CC(CC)c1ccccc1 270004a_100000747261_100000753018 [0,0,1,0,0,1|0,0,2]=4 3496 B15R1.768 C#CCC(=O)COc1ccccc1CC 1458a_100000182566_100000184674 [0,0,1,0,0,1|2,0,0]=4 3497 B15R1.768 C#CCC(C)OCc1ccccc1CO 34a_100000685586_100009816955 [0,0,1,0,0,1|2,0,0]=4 3498 B15R1.768 C#CCC(C)OCc1ccccc1CO 7a_100000685586_100009816955 [0,0,1,0,0,1|2,0,0]=4 3499 B15R1.768 C#CCC(C)OCc1ccccc1OC 34a_100000685586_100000210004 [0,0,1,0,0,1|2,0,0]=4 3500 B15R1.768 C#CCC(C)OCc1ccccc1OC 7a_100000685586_100000210004 [0,0,1,0,0,1|2,0,0]=4 3501 B15R1.768 C#CCC(C)OCc1ccccc1SC 34a_100000685586_100000699184 [0,0,1,0,0,1|2,0,0]=4 3502 B15R1.768 C#CCC(C)OCc1ccccc1SC 7a_100000685586_100000699184 [0,0,1,0,0,1|2,0,0]=4 3503 B15R1.768 C#CCN(C)CCc1ccccc1C#N 2230a_100000225692_200013032965 [0,0,1,0,0,1|1,0,1]=4 3504 B15R1.768 C#CCN(C)CCc1ccccc1C#N 34a_100000225692_200013032965 [0,0,1,0,0,1|1,0,1]=4 3505 B15R1.768 C#CCN(C)CCc1ccccc1C=O 2230a_100000225692_100010186698 [0,0,1,0,0,1|1,0,1]=4 3506 B15R1.768 C#CCN(C)CCc1ccccc1C=O 34a_100000225692_100010186698 [0,0,1,0,0,1|1,0,1]=4 3507 B15R1.768 C#CCN(C)CCc1ccccc1OC 2230a_100000225692_100011713687 [0,0,1,0,0,1|1,0,0]=3 3508 B15R1.768 C#CCN(C)CCc1ccccc1OC 2230a_100000231131_100000038162 [0,0,1,0,0,1|1,0,0]=3 3509 B15R1.768 C#CCN(C)CCc1ccccc1OC 270004a_100000225692_100011713418 [0,0,1,0,0,1|1,0,0]=3 3510 B15R1.768 C#CCN(C)CCc1ccccc1OC 34a_100000225692_100011713687 [0,0,1,0,0,1|1,0,0]=3 3511 B15R1.768 CCc1ccccc1CN[C@@H](C)CC#N 207a_100016994482_100011219594 [0,0,1,0,0,1|2,0,0]=4 3512 B15R1.768 CCc1ccccc1COC(C)CC#N 7a_100011663872_100009813641 [0,0,1,0,0,1|2,0,0]=4 3513 B15R1.768 COc1ccccc1CCN(C)CC#N 2230a_100000231131_100011215382 [0,0,1,0,0,1|2,0,0]=4 3514 B15R1.768 COc1ccccc1CCN(C)CC#N 2230a_100000748184_100011713687 [0,0,1,0,0,1|2,0,0]=4 3515 B15R1.768 COc1ccccc1CCN(C)CC#N 269982a_100000231131_100011214920 [0,0,1,0,0,1|2,0,0]=4 3516 B15R1.3722 C#CCC(=O)NC(C)c1ccccc1C 1626a_100000181355_100011220946 [0,0,1,0,0,1|2,0,0]=4 3517 B15R1.3722 C#CCC(=O)NC(C)c1ccccc1C 527a_100000181355_100011220946 [0,0,1,0,0,1|2,0,0]=4 3518 B15R1.3722 C#CCC(C)OC(C)c1ccccc1Cl 7a_100000685586_100000181259 [0,0,1,0,0,1|2,0,0]=4 3519 B15R1.3722 C#CCC(C)OC(C)c1ccccc1F 34a_100000685586_200000741388 [0,0,1,0,0,1|2,0,0]=4 3520 B15R1.3722 C#CCC(C)OC(C)c1ccccc1F 7a_100000685586_200000741388 [0,0,1,0,0,1|2,0,0]=4 3521 B15R1.3722 C#CCN(C)CC(=O)c1ccccc1C 2230a_100000225692_100000741374 [0,0,1,0,0,1|1,0,1]=4 3522 B15R1.3722 C#CCN(C)CC(=O)c1ccccc1C 34a_100000225692_100000741374 [0,0,1,0,0,1|1,0,1]=4 3523 B15R1.3722 Cc1ccccc1C(C)NC(C)CC#N 2230a_100000181355_100009813641 [0,0,1,0,0,1|2,0,0]=4 3524 B15R1.3722 Cc1ccccc1C(C)OC(C)CC#N 7a_100000742021_100009813641 [0,0,1,0,0,1|2,0,0]=4 3525 B15R1.3960 C#CCC(=O)C(C)Oc1ccccc1C 1458a_100000189243_100000184674 [0,0,1,0,0,1|2,0,0]=4 3526 B15R1.3960 C#CCN(C)C(=O)Cc1ccccc1C 11a_100000225692_100000212180 [0,0,1,0,0,1|1,0,1]=4 3527 B15R1.3960 C#CCN(C)C(=O)Cc1ccccc1C 1626a_100000225692_100000212180 [0,0,1,0,0,1|1,0,1]=4 3528 B15R1.3960 C#CCN(C)C(=O)Cc1ccccc1C 527a_100000225692_100000212180 [0,0,1,0,0,1|1,0,1]=4 3529 B15R1.3960 C#CCN(C)C(=O)Nc1ccccc1C 2430a_100015192222_100000225692 [0,0,1,0,0,1|1,0,1]=4 3530 B15R1.3960 C#CCN(C)C(C)Cc1ccccc1Br 270004a_100000225692_100011350739 [0,0,1,0,0,1|1,0,0]=3 3531 B15R1.3960 C#CCN(C)C(C)Cc1ccccc1C 270004a_100000225692_200000764500 [0,0,1,0,0,1|0,0,0]=2 3532 B15R1.3960 C#CCN(C)C(C)Cc1ccccc1Cl 270004a_100000225692_100000758791 [0,0,1,0,0,1|1,0,0]=3 3533 B15R1.3960 C#CCN(C)C(C)Cc1ccccc1F 270004a_100000225692_100000709178 [0,0,1,0,0,1|1,0,0]=3 3534 B15R1.3960 C#CCN(C)C(C)Cc1ncccc1C 270004a_100000225692_100011823981 [0,0,1,0,0,1|1,0,0]=3 3535 B15R1.3960 C=CCN(C)C(C)Cc1ccccc1C 270004a_100000225617_200000764500 [0,0,1,0,0,1|0,0,2]=4 3536 B15R1.3960 CCCN(C)C(C)Cc1ccccc1C 270004a_100000747261_200000764500 [0,0,1,0,0,1|0,0,2]=4 3537 B15R1.3960 Cc1ccccc1CC(C)N(C)CCO 270004a_100000210263_200000764500 [0,0,1,0,0,1|1,0,1]=4 3538 B15R2.352 C#CCCN1CCc2ccccc2C1 2230a_100000188457_100000688953 [1,0,0,0,0,1|2,0,0]=4 3539 B15R2.352 C#CCCN1CCc2ccccc2C1 269982a_100000188457_100000730999 [1,0,0,0,0,1|2,0,0]=4 3540 B15R2.352 C#CCCN1CCc2ccccc2C1 34a_100000188457_100000688953 [1,0,0,0,0,1|2,0,0]=4 3541 B15R2.352 C#CCNC1CCc2ccccc2C1 2230a_100000748446_100000038162 [1,0,0,0,0,1|0,0,0]=2 3542 B15R2.352 C#CCNC1CCc2ccccc2C1 34a_100000748446_100000184674 [1,0,0,0,0,1|0,0,0]=2 3543 B15R2.352 C#CCNC1COc2ccccc2C1 2230a_100000739546_100000038162 [1,0,0,0,0,1|1,0,0]=3 3544 B15R2.352 C#CCOC1CCc2ccccc2C1 34a_100011216300_100000184674 [1,0,0,0,0,1|1,0,0]=3 3545 B15R2.352 C#CCOC1CCc2ccccc2C1 7a_100011216300_100000038162 [1,0,0,0,0,1|1,0,0]=3 3546 B15R2.352 C#CCOC1Cc2ccccc2CO1 34a_200000095866_100000184674 [1,0,0,0,0,1|2,0,0]=4 3547 B15R2.352 C=CCNC1CCc2ccccc2C1 2230a_100000748446_100000210623 [1,0,0,0,0,1|0,0,2]=4 3548 B15R2.352 C=CCNC1CCc2ccccc2C1 270004a_100020586998_100000212018 [1,0,0,0,0,1|0,0,2]=4 3549 B15R2.352 C=CCNC1CCc2ccccc2C1 34a_100000748446_100015514636 [1,0,0,0,0,1|0,0,2]=4 3550 B15R2.352 CCCNC1CCc2ccccc2C1 2230a_100000748446_100000210303 [1,0,0,0,0,1|0,0,2]=4 3551 B15R2.352 CCCNC1CCc2ccccc2C1 270004a_100020643023_100000212018 [1,0,0,0,0,1|0,0,2]=4 3552 B15R2.352 CCCNC1CCc2ccccc2C1 34a_100000748446_100000210303 [1,0,0,0,0,1|0,0,2]=4 3553 B15R2.352 COCNC1CCc2ccccc2C1 2230a_100000748446_100000766300 [1,0,0,0,0,1|1,0,1]=4 3554 B15R2.352 CSCNC1CCc2ccccc2C1 2230a_100000748446_100011218213 [1,0,0,0,0,1|1,0,1]=4 3555 B15R2.352 CSCNC1CCc2ccccc2C1 34a_100000748446_100011218213 [1,0,0,0,0,1|1,0,1]=4 3556 B15R2.352 FCCNC1CCc2ccccc2C1 2230a_100000748446_100011217306 [1,0,0,0,0,1|1,0,1]=4 3557 B15R2.352 FCCNC1CCc2ccccc2C1 34a_100000748446_100011217306 [1,0,0,0,0,1|1,0,1]=4 3558 B15R2.352 N#CCNC1CCc2ccccc2C1 2230a_100000748446_100011215382 [1,0,0,0,0,1|1,0,0]=3 3559 B15R2.352 N#CCNC1COc2ccccc2C1 2230a_100000739546_100011215382 [1,0,0,0,0,1|2,0,0]=4 3560 B15R2.352 N#CCOC1CCc2ccccc2C1 7a_100011216300_100011215382 [1,0,0,0,0,1|2,0,0]=4 3561 B15R2.352 O=CCNC1CCc2ccccc2C1 2230a_100000748446_200015260668 [1,0,0,0,0,1|1,0,1]=4 3562 B15R2.352 O=CCNC1CCc2ccccc2C1 34a_100000748446_200009817547 [1,0,0,0,0,1|1,0,1]=4 3563 B15R2.352 OCCNC1CCc2ccccc2C1 2230a_100000748446_100000211926 [1,0,0,0,0,1|1,0,1]=4 3564 B15R2.352 OCCNC1CCc2ccccc2C1 270004a_100000210304_100000212018 [1,0,0,0,0,1|1,0,1]=4 3565 B15R2.352 OCCNC1CCc2ccccc2C1 34a_100000748446_100000211926 [1,0,0,0,0,1|1,0,1]=4 3566 B15R2.18471 C#CCNC1CCCc2c1ccnc2 2230a_100020634316_100000038162 [1,0,0,0,0,1|1,0,0]=3 3567 B15R2.18471 C#CCNC1CCCc2c1nccc2 2230a_100011259139_100000038162 [1,0,0,0,0,1|1,0,0]=3 3568 B15R2.18471 C#CCNC1CCOc2c1cccc2 2230a_100015190321_100000038162 [1,0,0,0,0,1|0,0,0]=2 3569 B15R2.18471 C#CCNC1CCOc2c1nccc2 2230a_100009852857_100000038162 [1,0,0,0,0,1|1,0,0]=3 3570 B15R2.18471 C#CCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000184674 [1,0,0,0,0,1|0,0,0]=2 3571 B15R2.18471 C#CCOC1CCCc2c1cccc2 34a_100000183665_100000184674 [1,0,0,0,0,1|1,0,0]=3 3572 B15R2.18471 C#CCOC1CCCc2c1cccc2 7a_100000183665_100000038162 [1,0,0,0,0,1|1,0,0]=3 3573 B15R2.18471 C#CCOC1CCOc2c1cccc2 7a_100000708930_100000038162 [1,0,0,0,0,1|1,0,0]=3 3574 B15R2.18471 C#CCOC1COCc2c1cccc2 34a_100012179175_100000184674 [1,0,0,0,0,1|1,0,0]=3 3575 B15R2.18471 C=CCNC1CCOc2c1cccc2 2230a_100015190321_100000210623 [1,0,0,0,0,1|0,0,2]=4 3576 B15R2.18471 C=CCN[C@H]1CCCc2c1cccc2 34a_100020654734_100015514636 [1,0,0,0,0,1|0,0,2]=4 3577 B15R2.18471 CCCNC1CCCc2c1cccc2 269862a_100020643023_100000210882 [1,0,0,0,0,1|0,0,2]=4 3578 B15R2.18471 CCCNC1CCOc2c1cccc2 2230a_100015190321_100000210303 [1,0,0,0,0,1|0,0,2]=4 3579 B15R2.18471 CCCNC1CCSc2c1cccc2 269862a_100020643023_100000183853 [1,0,0,0,0,1|0,0,2]=4 3580 B15R2.18471 CCCNC1COCc2c1cccc2 269862a_100020643023_100000117393 [1,0,0,0,0,1|0,0,2]=4 3581 B15R2.18471 CCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000210303 [1,0,0,0,0,1|0,0,2]=4 3582 B15R2.18471 COCNC1CCOc2c1cccc2 2230a_100015190321_100000766300 [1,0,0,0,0,1|1,0,1]=4 3583 B15R2.18471 CSCNC1CCOc2c1cccc2 2230a_100015190321_100011218213 [1,0,0,0,0,1|1,0,1]=4 3584 B15R2.18471 CSCN[C@H]1CCCc2c1cccc2 34a_100020654734_100011218213 [1,0,0,0,0,1|1,0,1]=4 3585 B15R2.18471 FCCNC1CCCc2c1cccc2 269862a_100000724931_100000210882 [1,0,0,0,0,1|1,0,1]=4 3586 B15R2.18471 FCCNC1CCOc2c1cccc2 2230a_100015190321_100011217306 [1,0,0,0,0,1|1,0,1]=4 3587 B15R2.18471 FCCNC1CCSc2c1cccc2 269862a_100000724931_100000183853 [1,0,0,0,0,1|1,0,1]=4 3588 B15R2.18471 FCCNC1COCc2c1cccc2 269862a_100000724931_100000117393 [1,0,0,0,0,1|1,0,1]=4 3589 B15R2.18471 FCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100011217306 [1,0,0,0,0,1|1,0,1]=4 3590 B15R2.18471 N#CCNC1CCCc2c1ccnc2 2230a_100020634316_100011215382 [1,0,0,0,0,1|2,0,0]=4 3591 B15R2.18471 N#CCNC1CCCc2c1nccc2 2230a_100011259139_100011215382 [1,0,0,0,0,1|2,0,0]=4 3592 B15R2.18471 N#CCNC1CCOc2c1cccc2 2230a_100015190321_100011215382 [1,0,0,0,0,1|1,0,0]=3 3593 B15R2.18471 N#CCNC1CCOc2c1nccc2 2230a_100009852857_100011215382 [1,0,0,0,0,1|2,0,0]=4 3594 B15R2.18471 N#CCOC1CCCc2c1cccc2 7a_100000183665_100011215382 [1,0,0,0,0,1|2,0,0]=4 3595 B15R2.18471 N#CCOC1CCOc2c1cccc2 7a_100000708930_100011215382 [1,0,0,0,0,1|2,0,0]=4 3596 B15R2.18471 O=CCNC1CCOc2c1cccc2 2230a_100015190321_200015260668 [1,0,0,0,0,1|1,0,1]=4 3597 B15R2.18471 O=CCN[C@H]1CCCc2c1cccc2 34a_100020654734_200009817547 [1,0,0,0,0,1|1,0,1]=4 3598 B15R2.18471 OCCNC1CCCc2c1cccc2 269862a_100000210304_100000210882 [1,0,0,0,0,1|1,0,1]=4 3599 B15R2.18471 OCCNC1CCOc2c1cccc2 2230a_100015190321_100000211926 [1,0,0,0,0,1|1,0,1]=4 3600 B15R2.18471 OCCNC1CCSc2c1cccc2 269862a_100000210304_100000183853 [1,0,0,0,0,1|1,0,1]=4 3601 B15R2.18471 OCCNC1COCc2c1cccc2 269862a_100000210304_100000117393 [1,0,0,0,0,1|1,0,1]=4 3602 B15R2.18471 OCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000211926 [1,0,0,0,0,1|1,0,1]=4 3603 B15R2.1601 C#CC(C)N1CCc2ccccc2C1 34a_100000188457_200000035995 [1,0,0,0,0,1|2,0,0]=4 3604 B15R2.79765 CCN(C)C1CCCc2c1cccc2 2230a_100000185324_100000210202 [1,0,0,0,0,1|0,0,1]=3 3605 B15R2.79765 CCN(C)C1CCCc2c1cccc2 269982a_100000185324_100000204670 [1,0,0,0,0,1|0,0,1]=3 3606 B15R2.79765 CCN(C)C1CCCc2c1cccc2 34a_100000185324_100000210202 [1,0,0,0,0,1|0,0,1]=3 3607 B15R2.79765 CN(CF)C1CCCc2c1cccc2 269982a_100000185324_100015361967 [1,0,0,0,0,1|1,0,0]=3 3608 B15R2.79765 CN(CF)C1CCCc2c1cccc2 34a_100000185324_100015361967 [1,0,0,0,0,1|1,0,0]=3 3609 B17R2.6 C#CCC(=O)NCC1CCc2c1cccc2 1626a_100020632452_100011220946 [0,0,0,0,0,2|2,0,0]=4 3610 B17R2.6 C#CCC(=O)NCC1CCc2c1cccc2 527a_100020632452_100011220946 [0,0,0,0,0,2|2,0,0]=4 3611 B17R2.6 CC(CC#N)NCC1CCc2c1cccc2 2230a_100020632452_100009813641 [0,0,0,0,0,2|2,0,0]=4 3612 B17R2.2159 C#CCC(=O)NC1CCc2ccccc2C1 1626a_100000748446_100011220946 [0,0,0,0,0,2|2,0,0]=4 3613 B17R2.2159 C#CCC(=O)NC1CCc2ccccc2C1 527a_100000748446_100011220946 [0,0,0,0,0,2|2,0,0]=4 3614 B17R2.2159 C#CCN(C)CC1=Cc2ccccc2OC1 270004a_100000225692_100000013085 [0,0,0,0,0,2|1,0,1]=4 3615 B17R2.2159 C#CCN(C)CC1COc2ccccc2O1 2230a_100000225692_100011215957 [0,0,0,0,0,2|1,0,0]=3 3616 B17R2.2159 C#CCN(C)CC1COc2ccccc2O1 2230a_100000683454_100000038162 [0,0,0,0,0,2|1,0,0]=3 3617 B17R2.2159 C#CCN(C)CC1COc2ccccc2O1 34a_100000225692_100011215957 [0,0,0,0,0,2|1,0,0]=3 3618 B17R2.2159 C#CCN(C)CC1COc2ccccc2O1 34a_100000683454_100000184674 [0,0,0,0,0,2|1,0,0]=3 3619 B17R2.2159 CC(CC#N)NC1CCc2ccccc2C1 2230a_100000748446_100009813641 [0,0,0,0,0,2|2,0,0]=4 3620 B17R2.2159 CC(CC#N)OC1CCc2ccccc2C1 7a_100011216300_100009813641 [0,0,0,0,0,2|2,0,0]=4 3621 B17R2.2159 CN(CC#N)CC1COc2ccccc2O1 2230a_100000683454_100011215382 [0,0,0,0,0,2|2,0,0]=4 3622 B17R2.2159 CN(CC#N)CC1COc2ccccc2O1 2230a_100000748184_100011215957 [0,0,0,0,0,2|2,0,0]=4 3623 B17R2.2159 CN(CC#N)CC1COc2ccccc2O1 269982a_100000683454_100011214920 [0,0,0,0,0,2|2,0,0]=4 3624 B17R2.322318 C#CCC(=O)CC1OCCc2c1cccc2 1458a_100000751863_100000184674 [0,0,0,0,0,2|2,0,0]=4 3625 B17R2.322318 C#CCC(=O)NC1CCOc2c1cccc2 1626a_100015190321_100011220946 [0,0,0,0,0,2|2,0,0]=4 3626 B17R2.322318 C#CCC(=O)NC1CCOc2c1cccc2 527a_100015190321_100011220946 [0,0,0,0,0,2|2,0,0]=4 3627 B17R2.322318 C#CCC(=O)N[C@H]1CCCc2c1cccc2 1626a_100020654734_100011220946 [0,0,0,0,0,2|2,0,0]=4 3628 B17R2.322318 C#CCC(=O)N[C@H]1CCCc2c1cccc2 527a_100020654734_100011220946 [0,0,0,0,0,2|2,0,0]=4 3629 B17R2.322318 C#CCN(C)CC1OCCc2c1cccc2 2230a_100015203942_100000038162 [0,0,0,0,0,2|0,0,0]=2 3630 B17R2.322318 C#CCN(C)CC1OCCc2c1cccc2 34a_100015203942_100000184674 [0,0,0,0,0,2|0,0,0]=2 3631 B17R2.322318 C=CCN(C)CC1OCCc2c1cccc2 2230a_100015203942_100000210623 [0,0,0,0,0,2|0,0,2]=4 3632 B17R2.322318 C=CCN(C)CC1OCCc2c1cccc2 269982a_100015203942_100000210623 [0,0,0,0,0,2|0,0,2]=4 3633 B17R2.322318 C=CCN(C)CC1OCCc2c1cccc2 34a_100015203942_100015514636 [0,0,0,0,0,2|0,0,2]=4 3634 B17R2.322318 CC(CC#N)NC1CCOc2c1cccc2 2230a_100015190321_100009813641 [0,0,0,0,0,2|2,0,0]=4 3635 B17R2.322318 CC(CC#N)OC1CCCc2c1cccc2 7a_100000183665_100009813641 [0,0,0,0,0,2|2,0,0]=4 3636 B17R2.322318 CC(CC#N)OC1CCOc2c1cccc2 7a_100000708930_100009813641 [0,0,0,0,0,2|2,0,0]=4 3637 B17R2.322318 CCCN(C)CC1OCCc2c1cccc2 2230a_100015203942_100000210303 [0,0,0,0,0,2|0,0,2]=4 3638 B17R2.322318 CCCN(C)CC1OCCc2c1cccc2 269982a_100015203942_100000210303 [0,0,0,0,0,2|0,0,2]=4 3639 B17R2.322318 CCCN(C)CC1OCCc2c1cccc2 34a_100015203942_100000210303 [0,0,0,0,0,2|0,0,2]=4 3640 B17R2.322318 CN(CC#N)CC1OCCc2c1cccc2 2230a_100015203942_100011215382 [0,0,0,0,0,2|1,0,0]=3 3641 B17R2.322318 CN(CC#N)CC1OCCc2c1cccc2 269982a_100015203942_100011214920 [0,0,0,0,0,2|1,0,0]=3 3642 B17R2.322318 CN(CC=O)CC1OCCc2c1cccc2 2230a_100015203942_200015260668 [0,0,0,0,0,2|1,0,1]=4 3643 B17R2.322318 CN(CC=O)CC1OCCc2c1cccc2 269982a_100015203942_200015260668 [0,0,0,0,0,2|1,0,1]=4 3644 B17R2.322318 CN(CC=O)CC1OCCc2c1cccc2 34a_100015203942_200009817547 [0,0,0,0,0,2|1,0,1]=4 3645 B17R2.322318 CN(CCF)CC1OCCc2c1cccc2 2230a_100015203942_100011217306 [0,0,0,0,0,2|1,0,1]=4 3646 B17R2.322318 CN(CCF)CC1OCCc2c1cccc2 269982a_100015203942_100011217306 [0,0,0,0,0,2|1,0,1]=4 3647 B17R2.322318 CN(CCF)CC1OCCc2c1cccc2 34a_100015203942_100011217306 [0,0,0,0,0,2|1,0,1]=4 3648 B17R2.322318 CN(CCO)CC1OCCc2c1cccc2 2230a_100015203942_100000211926 [0,0,0,0,0,2|1,0,1]=4 3649 B17R2.322318 CN(CCO)CC1OCCc2c1cccc2 269982a_100015203942_100000211926 [0,0,0,0,0,2|1,0,1]=4 3650 B17R2.322318 CN(CCO)CC1OCCc2c1cccc2 34a_100015203942_100000211926 [0,0,0,0,0,2|1,0,1]=4 3651 B17R2.322318 COCN(C)CC1OCCc2c1cccc2 2230a_100015203942_100000766300 [0,0,0,0,0,2|1,0,1]=4 3652 B17R2.322318 COCN(C)CC1OCCc2c1cccc2 269982a_100015203942_100000766300 [0,0,0,0,0,2|1,0,1]=4 3653 B17R2.322318 CSCN(C)CC1OCCc2c1cccc2 2230a_100015203942_100011218213 [0,0,0,0,0,2|1,0,1]=4 3654 B17R2.322318 CSCN(C)CC1OCCc2c1cccc2 269982a_100015203942_100011218213 [0,0,0,0,0,2|1,0,1]=4 3655 B17R2.322318 CSCN(C)CC1OCCc2c1cccc2 34a_100015203942_100011218213 [0,0,0,0,0,2|1,0,1]=4 3656 B17R2.6203 C#CCC(=O)C1CCOc2ccccc2O1 1458a_100000097261_100000184674 [0,0,0,0,0,2|2,0,0]=4 3657 B17R2.6223 C#CCN(C)C1CCc2ccccc2CC1 270004a_100000225692_100009869843 [0,0,0,0,0,2|0,0,0]=2 3658 B17R2.6223 C=CCN(C)C1CCc2ccccc2CC1 270004a_100000225617_100009869843 [0,0,0,0,0,2|0,0,2]=4 3659 B17R2.6223 CCCN(C)C1CCc2ccccc2CC1 270004a_100000747261_100009869843 [0,0,0,0,0,2|0,0,2]=4 3660 B17R2.6223 CN(CCO)C1CCc2ccccc2CC1 270004a_100000210263_100009869843 [0,0,0,0,0,2|1,0,1]=4