0 B14R2.2 CC(=Cc1c[nH]c2c1cccn2)C 271570a_100102525489_100011934613 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.2 CC(=Cc1c[nH]c2c1ccnc2)C 271570a_100102525489_100010232032 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.2 CC(=Cc1c[nH]c2c1cncc2)C 271570a_100102525489_100011934843 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.2 CC(=Cc1c[nH]c2c1nccc2)C 271570a_100102525489_100009817151 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.2 CC(=Cc1coc2c1cccc2)C 271570a_100102525489_100009812202 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.2 CC(=Cc1csc2c1cccc2)C 271570a_100102525489_100009813928 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.2 CC(=Cc1n[nH]c2c1cccc2)C 271570a_100102525489_100000050141 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.2 CC(=O)CC1CCc2c1cccc2 1458a_100000756587_200000210301 [0,0,0,0,0,0|2,0,2]=4 8 B14R2.2 CC(=O)CN1CCc2c1cccc2 1458a_100000742689_200000210301 [0,0,0,0,0,0|3,0,1]=4 9 B14R2.2 CC(=O)C[n+]1csc2c1cccc2 1458a_100009813389_200000210301 [0,0,0,0,0,0|3,0,0]=3 10 B14R2.2 CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200000210301 [0,0,0,0,0,0|1,0,0]=1 11 B14R2.2 CC(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_200000210301 [0,0,0,0,0,0|2,0,0]=2 12 B14R2.2 CC(=O)Cc1cnc2n1cccc2 1458a_100000070654_200000210301 [0,0,0,0,0,0|2,0,1]=3 13 B14R2.2 CC(=O)Cc1coc2c1cccc2 1458a_100000217546_200000210301 [0,0,0,0,0,0|2,0,0]=2 14 B14R2.2 CC(=O)Cc1csc2c1cccc2 1458a_100000070787_200000742921 [0,0,0,0,0,0|2,0,0]=2 15 B14R2.2 CC(=O)Cc1csc2c1cccc2 1458a_100000741031_200000210301 [0,0,0,0,0,0|2,0,0]=2 16 B14R2.2 CC(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_200000210301 [0,0,0,0,0,0|2,0,0]=2 17 B14R2.2 CC(=O)Cc1nnc2n1cccc2 1458a_100000070787_100000037651 [0,0,0,0,0,0|3,0,1]=4 18 B14R2.2 CC(=O)Cc1noc2c1cccc2 1458a_100000070787_100009813815 [0,0,0,0,0,0|3,0,0]=3 19 B14R2.2 CC(=O)Cc1noc2c1cccc2 1458a_100000205995_200000210301 [0,0,0,0,0,0|3,0,0]=3 20 B14R2.2 CC(=O)Cn1ccc2c1cccc2 1458a_100000743657_200000210301 [0,0,0,0,0,0|3,0,0]=3 21 B14R2.2 CC(=O)Cn1cnc2c1cccc2 1458a_100025771165_200000210301 [0,0,0,0,0,0|2,0,1]=3 22 B14R2.2 CC(=O)Cn1ncc2c1cccc2 1458a_100011614043_200000210301 [0,0,0,0,0,0|4,0,0]=4 23 B14R2.2 CC(=O)Cn1nnc2c1cccc2 1458a_100000070787_100000033166 [0,0,0,0,0,0|3,0,1]=4 24 B14R2.2 CC(=O)Cn1nnc2c1cccc2 1458a_100025796206_200000210301 [0,0,0,0,0,0|3,0,1]=4 25 B14R2.2 CN(C)Cc1c[nH]c2c1ccnc2 270004a_100102631434_100000087688 [0,0,0,0,0,0|4,0,0]=4 26 B14R2.2 CN(C)Cc1coc2c1cccc2 270004a_100102631434_100000688544 [0,0,0,0,0,0|4,0,0]=4 27 B14R2.2 CN(C)Cc1csc2c1cccc2 2230a_100102631434_200000742921 [0,0,0,0,0,0|4,0,0]=4 28 B14R2.2 CN(C)Cc1csc2c1cccc2 269982a_100102631434_200000742921 [0,0,0,0,0,0|4,0,0]=4 29 B14R2.2 CN(C)Cc1csc2c1cccc2 270004a_100102631434_100000239721 [0,0,0,0,0,0|4,0,0]=4 30 B14R2.2 CN(C)Cc1n[nH]c2c1cccc2 270004a_100102631434_100000059708 [0,0,0,0,0,0|4,0,0]=4 31 B14R2.2 [13CH3]C(=O)CC1CCc2c1cccc2 1458a_100000756587_200025704644 [0,0,0,0,0,0|2,0,2]=4 32 B14R2.2 [13CH3]C(=O)CN1CCc2c1cccc2 1458a_100000742689_200025704644 [0,0,0,0,0,0|3,0,1]=4 33 B14R2.2 [13CH3]C(=O)C[n+]1csc2c1cccc2 1458a_100009813389_200025704644 [0,0,0,0,0,0|3,0,0]=3 34 B14R2.2 [13CH3]C(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200025704644 [0,0,0,0,0,0|1,0,0]=1 35 B14R2.2 [13CH3]C(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_200025704644 [0,0,0,0,0,0|2,0,0]=2 36 B14R2.2 [13CH3]C(=O)Cc1cnc2n1cccc2 1458a_100000070654_200025704644 [0,0,0,0,0,0|2,0,1]=3 37 B14R2.2 [13CH3]C(=O)Cc1coc2c1cccc2 1458a_100000217546_200025704644 [0,0,0,0,0,0|2,0,0]=2 38 B14R2.2 [13CH3]C(=O)Cc1csc2c1cccc2 1458a_100000741031_200025704644 [0,0,0,0,0,0|2,0,0]=2 39 B14R2.2 [13CH3]C(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_200025704644 [0,0,0,0,0,0|2,0,0]=2 40 B14R2.2 [13CH3]C(=O)Cc1noc2c1cccc2 1458a_100000205995_200025704644 [0,0,0,0,0,0|3,0,0]=3 41 B14R2.2 [13CH3]C(=O)Cn1ccc2c1cccc2 1458a_100000743657_200025704644 [0,0,0,0,0,0|3,0,0]=3 42 B14R2.2 [13CH3]C(=O)Cn1cnc2c1cccc2 1458a_100025771165_200025704644 [0,0,0,0,0,0|2,0,1]=3 43 B14R2.2 [13CH3]C(=O)Cn1ncc2c1cccc2 1458a_100011614043_200025704644 [0,0,0,0,0,0|4,0,0]=4 44 B14R2.2 [13CH3]C(=O)Cn1nnc2c1cccc2 1458a_100025796206_200025704644 [0,0,0,0,0,0|3,0,1]=4 45 B13R2.1 CC=Cc1c[nH]c2c1cccn2 271570a_100016259895_100011934613 [1,0,0,0,0,0|2,0,1]=4 46 B13R2.1 CC=Cc1c[nH]c2c1ccnc2 271570a_100016259895_100010232032 [1,0,0,0,0,0|2,0,1]=4 47 B13R2.1 CC=Cc1c[nH]c2c1cncc2 271570a_100016259895_100011934843 [1,0,0,0,0,0|2,0,1]=4 48 B13R2.1 CC=Cc1c[nH]c2c1nccc2 271570a_100016259895_100009817151 [1,0,0,0,0,0|2,0,1]=4 49 B13R2.1 CC=Cc1coc2c1cccc2 271570a_100016259895_100009812202 [1,0,0,0,0,0|2,0,1]=4 50 B13R2.1 CC=Cc1csc2c1cccc2 271570a_100016259895_100009813928 [1,0,0,0,0,0|2,0,1]=4 51 B13R2.1 CC=Cc1n[nH]c2c1cccc2 271570a_100016259895_100000050141 [1,0,0,0,0,0|2,0,1]=4 52 B13R2.1 CNCc1c[nH]c2c1ccnc2 270004a_106832991635_100000087688 [1,0,0,0,0,0|3,0,0]=4 53 B13R2.1 CNCc1coc2c1cccc2 207a_100102657272_100000688544 [1,0,0,0,0,0|3,0,0]=4 54 B13R2.1 CNCc1coc2c1cccc2 270004a_106832991635_100000688544 [1,0,0,0,0,0|3,0,0]=4 55 B13R2.1 CNCc1csc2c1cccc2 207a_100102657272_100000239721 [1,0,0,0,0,0|3,0,0]=4 56 B13R2.1 CNCc1csc2c1cccc2 2230a_106832991635_200000742921 [1,0,0,0,0,0|3,0,0]=4 57 B13R2.1 CNCc1csc2c1cccc2 270004a_106832991635_100000239721 [1,0,0,0,0,0|3,0,0]=4 58 B13R2.1 CNCc1csc2c1cccc2 34a_100000744611_200000210301 [1,0,0,0,0,0|3,0,0]=4 59 B13R2.1 CNCc1csc2c1cccc2 34a_100102657272_200000742921 [1,0,0,0,0,0|3,0,0]=4 60 B13R2.1 CNCc1n[nH]c2c1cccc2 207a_100102657272_100000059708 [1,0,0,0,0,0|3,0,0]=4 61 B13R2.1 CNCc1n[nH]c2c1cccc2 270004a_106832991635_100000059708 [1,0,0,0,0,0|3,0,0]=4 62 B13R2.1 COCc1csc2c1cccc2 34a_100011219454_200000210301 [1,0,0,0,0,0|3,0,0]=4 63 B13R2.1 COCc1csc2c1cccc2 34a_100138415774_200000742921 [1,0,0,0,0,0|3,0,0]=4 64 B13R2.1 CSCc1csc2c1cccc2 62a_200000210301_200000742921 [1,0,0,0,0,0|3,0,0]=4 65 B13R2.1 CSCc1csc2c1cccc2 62a_200000742921_200000210301 [1,0,0,0,0,0|3,0,0]=4 66 B13R2.1 [13CH3]NCc1csc2c1cccc2 34a_100000744611_200025704644 [1,0,0,0,0,0|3,0,0]=4 67 B13R2.1 [13CH3]OCc1csc2c1cccc2 34a_100011219454_200025704644 [1,0,0,0,0,0|3,0,0]=4 68 B13R2.1 [13CH3]SCc1csc2c1cccc2 62a_200000742921_200025704644 [1,0,0,0,0,0|3,0,0]=4 69 B13R2.1 [13CH3]SCc1csc2c1cccc2 62a_200025704644_200000742921 [1,0,0,0,0,0|3,0,0]=4 70 B15R2.4 C#CC(=O)Cc1csc2c1cccc2 1458a_100000211873_200000742921 [0,1,0,0,0,0|2,0,0]=3 71 B15R2.4 C#CC(=O)Cc1noc2c1cccc2 1458a_100000211873_100009813815 [0,1,0,0,0,0|3,0,0]=4 72 B15R2.4 C=CC(=O)Cc1csc2c1cccc2 1458a_100000185746_200000742921 [0,1,0,0,0,0|2,0,0]=3 73 B15R2.4 C=CC(=O)Cc1noc2c1cccc2 1458a_100000185746_100009813815 [0,1,0,0,0,0|3,0,0]=4 74 B15R2.4 CCC(=O)C[n+]1csc2c1cccc2 1458a_100009813389_100000210202 [0,1,0,0,0,0|3,0,0]=4 75 B15R2.4 CCC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000210202 [0,1,0,0,0,0|1,0,0]=2 76 B15R2.4 CCC(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_100000210202 [0,1,0,0,0,0|2,0,0]=3 77 B15R2.4 CCC(=O)Cc1cnc2n1cccc2 1458a_100000070654_100000210202 [0,1,0,0,0,0|2,0,1]=4 78 B15R2.4 CCC(=O)Cc1coc2c1cccc2 1458a_100000217546_100000210202 [0,1,0,0,0,0|2,0,0]=3 79 B15R2.4 CCC(=O)Cc1csc2c1cccc2 1458a_100000210414_200000742921 [0,1,0,0,0,0|2,0,0]=3 80 B15R2.4 CCC(=O)Cc1csc2c1cccc2 1458a_100000741031_100000210202 [0,1,0,0,0,0|2,0,0]=3 81 B15R2.4 CCC(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_100000210202 [0,1,0,0,0,0|2,0,0]=3 82 B15R2.4 CCC(=O)Cc1noc2c1cccc2 1458a_100000205995_100000210202 [0,1,0,0,0,0|3,0,0]=4 83 B15R2.4 CCC(=O)Cc1noc2c1cccc2 1458a_100000210414_100009813815 [0,1,0,0,0,0|3,0,0]=4 84 B15R2.4 CCC(=O)Cn1ccc2c1cccc2 1458a_100000743657_100000210202 [0,1,0,0,0,0|3,0,0]=4 85 B15R2.4 CCC(=O)Cn1cnc2c1cccc2 1458a_100025771165_100000210202 [0,1,0,0,0,0|2,0,1]=4 86 B15R2.4 CNC(=O)C[n+]1csc2c1cccc2 11a_106832991635_100009813389 [0,1,0,0,0,0|3,0,0]=4 87 B15R2.4 CNC(=O)C[n+]1csc2c1cccc2 240690a_100102657272_100009813389 [0,1,0,0,0,0|3,0,0]=4 88 B15R2.4 CNC(=O)C[n+]1csc2c1cccc2 527a_100102657272_100009813389 [0,1,0,0,0,0|3,0,0]=4 89 B15R2.4 CNC(=O)Cc1c[nH]c2c1cccc2 11a_106832991635_100000183835 [0,1,0,0,0,0|1,0,0]=2 90 B15R2.4 CNC(=O)Cc1c[nH]c2c1cccc2 240690a_100102657272_100000183835 [0,1,0,0,0,0|1,0,0]=2 91 B15R2.4 CNC(=O)Cc1c[nH]c2c1cccc2 527a_100102657272_100000183835 [0,1,0,0,0,0|1,0,0]=2 92 B15R2.4 CNC(=O)Cc1c[nH]c2c1cccn2 11a_106832991635_100000687015 [0,1,0,0,0,0|2,0,0]=3 93 B15R2.4 CNC(=O)Cc1c[nH]c2c1cccn2 240690a_100102657272_100000687015 [0,1,0,0,0,0|2,0,0]=3 94 B15R2.4 CNC(=O)Cc1c[nH]c2c1cccn2 527a_100102657272_100000687015 [0,1,0,0,0,0|2,0,0]=3 95 B15R2.4 CNC(=O)Cc1cnc2n1cccc2 11a_106832991635_100000070654 [0,1,0,0,0,0|2,0,1]=4 96 B15R2.4 CNC(=O)Cc1cnc2n1cccc2 240690a_100102657272_100000070654 [0,1,0,0,0,0|2,0,1]=4 97 B15R2.4 CNC(=O)Cc1coc2c1cccc2 11a_106832991635_100000217546 [0,1,0,0,0,0|2,0,0]=3 98 B15R2.4 CNC(=O)Cc1coc2c1cccc2 1626a_100102657272_100000217546 [0,1,0,0,0,0|2,0,0]=3 99 B15R2.4 CNC(=O)Cc1coc2c1cccc2 240690a_100102657272_100000217546 [0,1,0,0,0,0|2,0,0]=3 100 B15R2.4 CNC(=O)Cc1coc2c1cccc2 527a_100102657272_100000217546 [0,1,0,0,0,0|2,0,0]=3 101 B15R2.4 CNC(=O)Cc1csc2c1cccc2 11a_106832991635_100000741031 [0,1,0,0,0,0|2,0,0]=3 102 B15R2.4 CNC(=O)Cc1csc2c1cccc2 1626a_100102657272_100000741031 [0,1,0,0,0,0|2,0,0]=3 103 B15R2.4 CNC(=O)Cc1csc2c1cccc2 240690a_100102657272_100000741031 [0,1,0,0,0,0|2,0,0]=3 104 B15R2.4 CNC(=O)Cc1csc2c1cccc2 527a_100102657272_100000741031 [0,1,0,0,0,0|2,0,0]=3 105 B15R2.4 CNC(=O)Cc1n[nH]c2c1cccc2 240690a_100102657272_100000044345 [0,1,0,0,0,0|2,0,0]=3 106 B15R2.4 CNC(=O)Cc1n[nH]c2c1cccc2 527a_100102657272_100000044345 [0,1,0,0,0,0|2,0,0]=3 107 B15R2.4 CNC(=O)Cc1noc2c1cccc2 11a_106832991635_100000205995 [0,1,0,0,0,0|3,0,0]=4 108 B15R2.4 CNC(=O)Cc1noc2c1cccc2 1626a_100102657272_100000205995 [0,1,0,0,0,0|3,0,0]=4 109 B15R2.4 CNC(=O)Cc1noc2c1cccc2 240690a_100102657272_100000205995 [0,1,0,0,0,0|3,0,0]=4 110 B15R2.4 CNC(=O)Cn1ccc2c1cccc2 11a_106832991635_100000743657 [0,1,0,0,0,0|3,0,0]=4 111 B15R2.4 CNC(=O)Cn1ccc2c1cccc2 1626a_100102657272_100000743657 [0,1,0,0,0,0|3,0,0]=4 112 B15R2.4 CNC(=O)Cn1ccc2c1cccc2 240690a_100102657272_100000743657 [0,1,0,0,0,0|3,0,0]=4 113 B15R2.4 CNC(=O)Cn1ccc2c1cccc2 527a_100102657272_100000743657 [0,1,0,0,0,0|3,0,0]=4 114 B15R2.4 CNC(=O)Cn1cnc2c1cccc2 240690a_100102657272_100025771165 [0,1,0,0,0,0|2,0,1]=4 115 B15R2.4 CNC(C)Cc1c[nH]c2c1cccc2 270004a_106832991635_100000030300 [0,1,0,0,0,0|2,0,1]=4 116 B15R2.4 O=C(CF)C[n+]1csc2c1cccc2 1458a_100009813389_100015361967 [0,1,0,0,0,0|3,0,0]=4 117 B15R2.4 O=C(CF)Cc1c[nH]c2c1cccc2 1458a_100000183835_100015361967 [0,1,0,0,0,0|1,0,0]=2 118 B15R2.4 O=C(CF)Cc1c[nH]c2c1cccn2 1458a_100000687015_100015361967 [0,1,0,0,0,0|2,0,0]=3 119 B15R2.4 O=C(CF)Cc1cnc2n1cccc2 1458a_100000070654_100015361967 [0,1,0,0,0,0|2,0,1]=4 120 B15R2.4 O=C(CF)Cc1coc2c1cccc2 1458a_100000217546_100015361967 [0,1,0,0,0,0|2,0,0]=3 121 B15R2.4 O=C(CF)Cc1csc2c1cccc2 1458a_100000741031_100015361967 [0,1,0,0,0,0|2,0,0]=3 122 B15R2.4 O=C(CF)Cc1n[nH]c2c1cccc2 1458a_100000044345_100015361967 [0,1,0,0,0,0|2,0,0]=3 123 B15R2.4 O=C(CF)Cc1noc2c1cccc2 1458a_100000205995_100015361967 [0,1,0,0,0,0|3,0,0]=4 124 B15R2.4 O=C(CF)Cn1ccc2c1cccc2 1458a_100000743657_100015361967 [0,1,0,0,0,0|3,0,0]=4 125 B15R2.4 O=C(CF)Cn1cnc2c1cccc2 1458a_100025771165_100015361967 [0,1,0,0,0,0|2,0,1]=4 126 B15R2.4 O=C(CO)Cc1csc2c1cccc2 1458a_100000210174_200000742921 [0,1,0,0,0,0|1,0,0]=2 127 B15R2.4 O=C(CO)Cc1nnc2n1cccc2 1458a_100000210174_100000037651 [0,1,0,0,0,0|2,0,1]=4 128 B15R2.4 O=C(CO)Cc1noc2c1cccc2 1458a_100000210174_100009813815 [0,1,0,0,0,0|2,0,0]=3 129 B15R2.4 O=C(CO)Cn1nnc2c1cccc2 1458a_100000210174_100000033166 [0,1,0,0,0,0|2,0,1]=4 130 B15R2.377 CC(=O)Cc1c[nH]c2c1ccc(c2)Br 1458a_100000689255_200000210301 [0,1,0,0,0,0|1,0,0]=2 131 B15R2.377 CC(=O)Cc1c[nH]c2c1ccc(c2)Cl 1458a_100000747776_200000210301 [0,1,0,0,0,0|1,0,0]=2 132 B15R2.377 CC(=O)Cc1c[nH]c2c1ccc(c2)F 1458a_100102524959_200000210301 [0,1,0,0,0,0|1,0,0]=2 133 B15R2.377 CC(=O)Cc1coc2c1ccc(c2)O 1458a_100000010777_200000210301 [0,1,0,0,0,0|2,0,0]=3 134 B15R2.377 CC(=O)Cc1noc2c1ccc(c2)Br 1458a_100010987740_200000210301 [0,1,0,0,0,0|3,0,0]=4 135 B15R2.377 CC(=O)Oc1c[nH]c2c1ccc(c2)O 271570a_203496583355_200009817283 [0,1,0,0,0,0|2,0,0]=3 136 B15R2.377 [13CH3]C(=O)Cc1c[nH]c2c1ccc(c2)Br 1458a_100000689255_200025704644 [0,1,0,0,0,0|1,0,0]=2 137 B15R2.377 [13CH3]C(=O)Cc1c[nH]c2c1ccc(c2)Cl 1458a_100000747776_200025704644 [0,1,0,0,0,0|1,0,0]=2 138 B15R2.377 [13CH3]C(=O)Cc1c[nH]c2c1ccc(c2)F 1458a_100102524959_200025704644 [0,1,0,0,0,0|1,0,0]=2 139 B15R2.377 [13CH3]C(=O)Cc1coc2c1ccc(c2)O 1458a_100000010777_200025704644 [0,1,0,0,0,0|2,0,0]=3 140 B15R2.377 [13CH3]C(=O)Cc1noc2c1ccc(c2)Br 1458a_100010987740_200025704644 [0,1,0,0,0,0|3,0,0]=4 141 B15R2.993 CC(=O)Cc1c([nH]c2c1cccc2)C 1458a_100000737320_200000210301 [0,1,0,0,0,0|1,0,0]=2 142 B15R2.993 CC(=O)Cn1c(=O)oc2c1cccc2 1458a_100000184755_200000210301 [0,1,0,0,0,0|3,0,0]=4 143 B15R2.993 CC(=O)Cn1c(=O)sc2c1cccc2 1458a_100000019295_200000210301 [0,1,0,0,0,0|3,0,0]=4 144 B15R2.993 CC(=O)Cn1c(=S)sc2c1cccc2 1458a_100000070787_200000011012 [0,1,0,0,0,0|3,0,0]=4 145 B15R2.993 CC(=O)Cn1c(cc2c1cccc2)C 1458a_100000209841_200000210301 [0,1,0,0,0,0|3,0,0]=4 146 B15R2.993 CC(=O)Cn1c(nc2c1cccc2)C 1458a_100000766443_200000210301 [0,1,0,0,0,0|2,0,1]=4 147 B15R2.993 CC(=O)NC1C(=O)Nc2c1cccc2 240690a_200000746459_100015343762 [0,1,0,0,0,0|2,0,1]=4 148 B15R2.993 Cc1[nH]c2ccccc2c1CC(=O)[13CH3] 1458a_100000737320_200025704644 [0,1,0,0,0,0|1,0,0]=2 149 B15R2.993 Cc1cc2ccccc2n1CC(=O)[13CH3] 1458a_100000209841_200025704644 [0,1,0,0,0,0|3,0,0]=4 150 B15R2.993 Cc1nc2ccccc2n1CC(=O)[13CH3] 1458a_100000766443_200025704644 [0,1,0,0,0,0|2,0,1]=4 151 B15R2.993 [13CH3]C(=O)Cn1c(=O)oc2c1cccc2 1458a_100000184755_200025704644 [0,1,0,0,0,0|3,0,0]=4 152 B15R2.993 [13CH3]C(=O)Cn1c(=O)sc2c1cccc2 1458a_100000019295_200025704644 [0,1,0,0,0,0|3,0,0]=4 153 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_200000210301 [0,1,0,0,0,0|1,0,0]=2 154 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)C 1458a_100102525273_200000210301 [0,1,0,0,0,0|1,0,0]=2 155 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_200000210301 [0,1,0,0,0,0|1,0,0]=2 156 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_200000210301 [0,1,0,0,0,0|1,0,0]=2 157 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_200000210301 [0,1,0,0,0,0|1,0,0]=2 158 B15R2.9410 CC(=O)Cc1coc2c1cc(cc2)C 1458a_100000188615_200000210301 [0,1,0,0,0,0|2,0,0]=3 159 B15R2.9410 CC(=O)Cc1csc2c1cc(cc2)C 1458a_100000242747_200000210301 [0,1,0,0,0,0|2,0,0]=3 160 B15R2.9410 CC(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000070787_100009814428 [0,1,0,0,0,0|2,0,0]=3 161 B15R2.9410 CC(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000692288_200000210301 [0,1,0,0,0,0|2,0,0]=3 162 B15R2.9410 CC(=O)Cc1csc2c1cc(cc2)F 1458a_100000070787_100010109839 [0,1,0,0,0,0|2,0,0]=3 163 B15R2.9410 CC(=O)Cc1n[nH]c2c1cc(cc2)Cl 1458a_100010209749_200000210301 [0,1,0,0,0,0|2,0,0]=3 164 B15R2.9410 CC(=O)Cc1n[nH]c2c1cc(cc2)F 1458a_200102525442_200000210301 [0,1,0,0,0,0|2,0,0]=3 165 B15R2.9410 CC(=O)Cn1ccc2c1cc(cc2)Br 1458a_200000721800_200000210301 [0,1,0,0,0,0|3,0,0]=4 166 B15R2.9410 CC(=O)Cn1ccc2c1cc(cc2)Cl 1458a_100000744275_200000210301 [0,1,0,0,0,0|3,0,0]=4 167 B15R2.9410 CC(=O)Cn1ccc2c1cc(cc2)F 1458a_100000721773_200000210301 [0,1,0,0,0,0|3,0,0]=4 168 B15R2.9410 CC(=O)Oc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100000755435 [0,1,0,0,0,0|2,0,0]=3 169 B15R2.9410 CN(C)Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100000728258 [0,1,0,0,0,0|3,0,0]=4 170 B15R2.9410 Cc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100102525273_200025704644 [0,1,0,0,0,0|1,0,0]=2 171 B15R2.9410 Cc1ccc2occ(c2c1)CC(=O)[13CH3] 1458a_100000188615_200025704644 [0,1,0,0,0,0|2,0,0]=3 172 B15R2.9410 Cc1ccc2scc(c2c1)CC(=O)[13CH3] 1458a_100000242747_200025704644 [0,1,0,0,0,0|2,0,0]=3 173 B15R2.9410 NC(=O)Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009990690 [0,1,0,0,0,0|1,0,0]=2 174 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_200025704644 [0,1,0,0,0,0|1,0,0]=2 175 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_200025704644 [0,1,0,0,0,0|1,0,0]=2 176 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_200025704644 [0,1,0,0,0,0|1,0,0]=2 177 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_200025704644 [0,1,0,0,0,0|1,0,0]=2 178 B15R2.9410 [13CH3]C(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000692288_200025704644 [0,1,0,0,0,0|2,0,0]=3 179 B15R2.9410 [13CH3]C(=O)Cc1n[nH]c2c1cc(cc2)Cl 1458a_100010209749_200025704644 [0,1,0,0,0,0|2,0,0]=3 180 B15R2.9410 [13CH3]C(=O)Cc1n[nH]c2c1cc(cc2)F 1458a_200102525442_200025704644 [0,1,0,0,0,0|2,0,0]=3 181 B15R2.9410 [13CH3]C(=O)Cn1ccc2c1cc(cc2)Br 1458a_200000721800_200025704644 [0,1,0,0,0,0|3,0,0]=4 182 B15R2.9410 [13CH3]C(=O)Cn1ccc2c1cc(cc2)Cl 1458a_100000744275_200025704644 [0,1,0,0,0,0|3,0,0]=4 183 B15R2.9410 [13CH3]C(=O)Cn1ccc2c1cc(cc2)F 1458a_100000721773_200025704644 [0,1,0,0,0,0|3,0,0]=4 184 B15R2.13587 CC(=O)Cc1c[nH]c2c1cccc2Br 1458a_100010219219_200000210301 [0,1,0,0,0,0|1,0,0]=2 185 B15R2.13587 CC(=O)Cc1c[nH]c2c1cccc2C 1458a_200000049093_200000210301 [0,1,0,0,0,0|1,0,0]=2 186 B15R2.13587 CC(=O)Cc1c[nH]c2c1cccc2Cl 1458a_100012356222_200000210301 [0,1,0,0,0,0|1,0,0]=2 187 B15R2.13587 CC(=O)Cc1cnc2n1cccc2C 1458a_100102706221_200000210301 [0,1,0,0,0,0|2,0,1]=4 188 B15R2.13587 CC(=O)Cn1ccc2c1cccc2Cl 1458a_200000721796_200000210301 [0,1,0,0,0,0|3,0,0]=4 189 B15R2.13587 CC(=O)Cn1ccc2c1cccc2F 1458a_100012177210_200000210301 [0,1,0,0,0,0|3,0,0]=4 190 B15R2.13587 CN(C)Cc1c[nH]c2c1cccc2Br 270004a_100102631434_100009814786 [0,1,0,0,0,0|3,0,0]=4 191 B15R2.13587 CN(C)Cc1c[nH]c2c1cccc2Cl 270004a_100102631434_100011361501 [0,1,0,0,0,0|3,0,0]=4 192 B15R2.13587 Cc1cccc2c1[nH]cc2CC(=O)[13CH3] 1458a_200000049093_200025704644 [0,1,0,0,0,0|1,0,0]=2 193 B15R2.13587 Cc1cccc2c1[nH]cc2CN(C)C 270004a_100102631434_100000040139 [0,1,0,0,0,0|3,0,0]=4 194 B15R2.13587 Cc1cccn2c1ncc2CC(=O)[13CH3] 1458a_100102706221_200025704644 [0,1,0,0,0,0|2,0,1]=4 195 B15R2.13587 [13CH3]C(=O)Cc1c[nH]c2c1cccc2Br 1458a_100010219219_200025704644 [0,1,0,0,0,0|1,0,0]=2 196 B15R2.13587 [13CH3]C(=O)Cc1c[nH]c2c1cccc2Cl 1458a_100012356222_200025704644 [0,1,0,0,0,0|1,0,0]=2 197 B15R2.13587 [13CH3]C(=O)Cn1ccc2c1cccc2Cl 1458a_200000721796_200025704644 [0,1,0,0,0,0|3,0,0]=4 198 B15R2.13587 [13CH3]C(=O)Cn1ccc2c1cccc2F 1458a_100012177210_200025704644 [0,1,0,0,0,0|3,0,0]=4 199 B15R2.13624 CC(=O)Cc1c[nH]c2c1c(ccc2)Br 1458a_100000692793_200000210301 [0,1,0,0,0,0|1,0,0]=2 200 B15R2.13624 CC(=O)Cc1c[nH]c2c1c(ccc2)C 1458a_100102558282_200000210301 [0,1,0,0,0,0|1,0,0]=2 201 B15R2.13624 CC(=O)Cc1c[nH]c2c1c(ccc2)Cl 1458a_100012339537_200000210301 [0,1,0,0,0,0|1,0,0]=2 202 B15R2.13624 CC(=O)Cc1c[nH]c2c1c(ccc2)F 1458a_100011997205_200000210301 [0,1,0,0,0,0|1,0,0]=2 203 B15R2.13624 Cc1cccc2c1c(c[nH]2)CC(=O)[13CH3] 1458a_100102558282_200025704644 [0,1,0,0,0,0|1,0,0]=2 204 B15R2.13624 [13CH3]C(=O)Cc1c[nH]c2c1c(ccc2)Br 1458a_100000692793_200025704644 [0,1,0,0,0,0|1,0,0]=2 205 B15R2.13624 [13CH3]C(=O)Cc1c[nH]c2c1c(ccc2)Cl 1458a_100012339537_200025704644 [0,1,0,0,0,0|1,0,0]=2 206 B15R2.13624 [13CH3]C(=O)Cc1c[nH]c2c1c(ccc2)F 1458a_100011997205_200025704644 [0,1,0,0,0,0|1,0,0]=2 207 B15R2.53147 CC(=O)Cc1cn(c2c1cccc2)C 1458a_100011218532_200000210301 [0,1,0,0,0,0|1,0,0]=2 208 B15R2.53147 Cn1cc(c2c1cccc2)CC(=O)[13CH3] 1458a_100011218532_200025704644 [0,1,0,0,0,0|1,0,0]=2 209 B13R1.90 C=Cc1ccccc1CCC(=O)N 271570a_100011290941_100009814947 [0,0,1,0,0,0|2,0,1]=4 210 B13R1.90 C=Cc1ccccc1NCC(=O)N 34a_100012022501_100000187820 [0,0,1,0,0,0|3,0,0]=4 211 B13R1.90 C=Cc1ccccc1NCC(=O)[O-] 34a_100012022501_100020667443 [0,0,1,0,0,0|2,0,1]=4 212 B13R1.90 C=Cc1ccccc1OCC(=O)N 271570a_100011290941_200000148491 [0,0,1,0,0,0|3,0,0]=4 213 B13R1.90 C=Cc1ccccc1SCC(=O)N 62a_100000747473_100011218376 [0,0,1,0,0,0|3,0,0]=4 214 B13R1.90 C=Cc1ccccc1SCC(=O)N 62a_100011218376_100000747473 [0,0,1,0,0,0|3,0,0]=4 215 B13R1.90 C=Cc1ccccc1SCC(=O)[O-] 62a_100011218376_100020667443 [0,0,1,0,0,0|2,0,1]=4 216 B13R1.90 C=Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100011218376 [0,0,1,0,0,0|2,0,1]=4 217 B13R1.90 CNc1ccccc1OCC(=O)N 34a_100000033821_100000187820 [0,0,1,0,0,0|2,0,1]=4 218 B13R1.90 CNc1ccccc1OCC(=O)[O-] 34a_100000033821_100020667443 [0,0,1,0,0,0|1,0,2]=4 219 B13R1.90 CNc1ccccc1SCC(=O)N 62a_100000747473_100020606079 [0,0,1,0,0,0|2,0,1]=4 220 B13R1.90 CNc1ccccc1SCC(=O)N 62a_100020606079_100000747473 [0,0,1,0,0,0|2,0,1]=4 221 B13R1.90 CNc1ccccc1SCC(=O)N 7a_100000187061_200000210301 [0,0,1,0,0,0|2,0,1]=4 222 B13R1.90 CNc1ccccc1SCC(=O)[O-] 62a_100020606079_100020667443 [0,0,1,0,0,0|1,0,2]=4 223 B13R1.90 CNc1ccccc1SCC(=O)[O-] 62a_100020667443_100020606079 [0,0,1,0,0,0|1,0,2]=4 224 B13R1.90 NNc1ccccc1SCC(=O)N 62a_100000241748_100000747473 [0,0,1,0,0,0|3,0,0]=4 225 B13R1.90 NNc1ccccc1SCC(=O)N 62a_100000747473_100000241748 [0,0,1,0,0,0|3,0,0]=4 226 B13R1.90 NNc1ccccc1SCC(=O)[O-] 62a_100000241748_100020667443 [0,0,1,0,0,0|2,0,1]=4 227 B13R1.90 NNc1ccccc1SCC(=O)[O-] 62a_100020667443_100000241748 [0,0,1,0,0,0|2,0,1]=4 228 B13R1.90 [13CH3]Nc1ccccc1SCC(=O)N 7a_100000187061_200025704644 [0,0,1,0,0,0|2,0,1]=4 229 B13R1.201 CC(=O)CC(=O)c1ccccc1Br 1458a_100000070787_100000199116 [0,0,1,0,0,0|3,0,0]=4 230 B13R1.201 CC(=O)CC(=O)c1ccccc1C 1458a_100000070787_100000741374 [0,0,1,0,0,0|3,0,0]=4 231 B13R1.201 CC(=O)CC(=O)c1ccccc1Cl 1458a_100000070787_100000211432 [0,0,1,0,0,0|3,0,0]=4 232 B13R1.201 CC(=O)CC(=O)c1ccccc1F 1458a_100000070787_100000204681 [0,0,1,0,0,0|3,0,0]=4 233 B13R1.201 CC(=O)CC(=O)c1ccccc1O 1458a_100000070787_100000188908 [0,0,1,0,0,0|3,0,0]=4 234 B13R1.201 CC(=O)CC(=O)c1ccccc1O 271570a_203496583355_200011243946 [0,0,1,0,0,0|3,0,0]=4 235 B13R1.201 CN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200000210301 [0,0,1,0,0,0|2,0,1]=4 236 B13R1.201 CN(CC(=O)O)c1ccccc1F 269956a_200011202418_200000210301 [0,0,1,0,0,0|2,0,1]=4 237 B13R1.201 Cc1ccccc1C(=O)CC(=O)N 1458a_100000212026_100000187820 [0,0,1,0,0,0|3,0,0]=4 238 B13R1.201 Cc1ccccc1C(=O)CC(=O)[O-] 1458a_100000212026_100020667443 [0,0,1,0,0,0|2,0,1]=4 239 B13R1.201 Cc1ccccc1N(C)CC(=O)O 269956a_200011202413_200000210301 [0,0,1,0,0,0|2,0,1]=4 240 B13R1.201 Cc1ccccc1N([13CH3])CC(=O)O 269956a_200011202413_200025704644 [0,0,1,0,0,0|2,0,1]=4 241 B13R1.201 NC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000187820 [0,0,1,0,0,0|3,0,0]=4 242 B13R1.201 NC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000187820 [0,0,1,0,0,0|3,0,0]=4 243 B13R1.201 NC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000187820 [0,0,1,0,0,0|3,0,0]=4 244 B13R1.201 NC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000187820 [0,0,1,0,0,0|3,0,0]=4 245 B13R1.201 NC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000187820 [0,0,1,0,0,0|3,0,0]=4 246 B13R1.201 NC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000187820 [0,0,1,0,0,0|3,0,0]=4 247 B13R1.201 O=C([O-])CC(=O)c1ccccc1Br 1458a_100000188424_100020667443 [0,0,1,0,0,0|2,0,1]=4 248 B13R1.201 O=C([O-])CC(=O)c1ccccc1Cl 1458a_100000185844_100020667443 [0,0,1,0,0,0|2,0,1]=4 249 B13R1.201 O=C([O-])CC(=O)c1ccccc1F 1458a_100000188656_100020667443 [0,0,1,0,0,0|2,0,1]=4 250 B13R1.201 O=C([O-])CC(=O)c1ccccc1I 1458a_100000187884_100020667443 [0,0,1,0,0,0|2,0,1]=4 251 B13R1.201 O=C([O-])CC(=O)c1ccccc1O 1458a_100015234032_100020667443 [0,0,1,0,0,0|2,0,1]=4 252 B13R1.201 O=C([O-])CC(=O)c1ccccc1[O-] 1458a_100009911694_100020667443 [0,0,1,0,0,0|2,0,1]=4 253 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200025704644 [0,0,1,0,0,0|2,0,1]=4 254 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1F 269956a_200011202418_200025704644 [0,0,1,0,0,0|2,0,1]=4 255 B13R1.337 CC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_200000210301 [0,0,1,0,0,0|2,0,1]=4 256 B13R1.337 CC(=O)CCCNc1ccccc1 34a_100000106764_100000685027 [0,0,1,0,0,0|1,0,2]=4 257 B13R1.337 NC(=O)CCCNc1ccccc1 34a_100000106764_100102525003 [0,0,1,0,0,0|1,0,2]=4 258 B13R1.337 O=C(O)CNCCc1ccccc1 269956a_100016091260_100000765856 [0,0,1,0,0,0|2,0,1]=4 259 B13R1.337 O=C(O)CNCSc1ccccc1 269956a_100016091260_100011218342 [0,0,1,0,0,0|2,0,1]=4 260 B13R1.337 O=C(O)CONCc1ccccc1 269956a_100000106656_100015291786 [0,0,1,0,0,0|3,0,0]=4 261 B13R1.337 [13CH3]C(=O)C=C/C=C/c1ccccc1 1458a_100016289705_200025704644 [0,0,1,0,0,0|2,0,1]=4 262 B13R1.713 CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210202 [0,0,1,0,0,0|2,0,1]=4 263 B13R1.713 CN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200000210301 [0,0,1,0,0,0|2,0,1]=4 264 B13R1.713 O=C(O)CN(CF)c1ccccc1 269956a_100000212060_100015361967 [0,0,1,0,0,0|2,0,1]=4 265 B13R1.713 [13CH3]N[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200025704644 [0,0,1,0,0,0|2,0,1]=4 266 B13R2.72 C=C(C)c1c[nH]c2c1cccn2 271570a_100000694244_100011934613 [0,0,0,0,1,0|3,0,0]=4 267 B13R2.72 C=C(C)c1c[nH]c2c1ccnc2 271570a_100000694244_100010232032 [0,0,0,0,1,0|3,0,0]=4 268 B13R2.72 C=C(C)c1c[nH]c2c1cncc2 271570a_100000694244_100011934843 [0,0,0,0,1,0|3,0,0]=4 269 B13R2.72 C=C(C)c1c[nH]c2c1nccc2 271570a_100000694244_100009817151 [0,0,0,0,1,0|3,0,0]=4 270 B13R2.72 C=C(C)c1coc2c1cccc2 271570a_100000694244_100009812202 [0,0,0,0,1,0|3,0,0]=4 271 B13R2.72 C=C(C)c1csc2c1cccc2 271570a_100000694244_100009813928 [0,0,0,0,1,0|3,0,0]=4 272 B13R2.72 C=C(C)c1n[nH]c2c1cccc2 271570a_100000694244_100000050141 [0,0,0,0,1,0|3,0,0]=4 273 B13R2.72 CC(=O)C1=CCc2c1cccc2 1458a_100000037392_200000210301 [0,0,0,0,1,0|2,0,0]=3 274 B13R2.72 CC(=O)C1C=Cc2c1cccc2 1458a_200009832160_200000210301 [0,0,0,0,1,0|2,0,1]=4 275 B13R2.72 [13CH3]C(=O)C1=CCc2c1cccc2 1458a_100000037392_200025704644 [0,0,0,0,1,0|2,0,0]=3 276 B13R2.72 [13CH3]C(=O)C1C=Cc2c1cccc2 1458a_200009832160_200025704644 [0,0,0,0,1,0|2,0,1]=4 277 B15R2.6 C=C(C)COc1csc2c1cccc2 34a_100000077758_100000748629 [0,0,0,0,0,1|3,0,0]=4 278 B15R2.6 C=C(C)COc1csc2c1cccc2 7a_100000077758_100000748629 [0,0,0,0,0,1|3,0,0]=4 279 B15R2.6 C=C(C)CSc1c[nH]c2c1cccn2 62a_100000748629_100011934613 [0,0,0,0,0,1|3,0,0]=4 280 B15R2.6 C=C(C)CSc1c[nH]c2c1ccnc2 62a_100000748629_100010232032 [0,0,0,0,0,1|3,0,0]=4 281 B15R2.6 C=C(C)CSc1c[nH]c2c1cncc2 62a_100000748629_100000753697 [0,0,0,0,0,1|3,0,0]=4 282 B15R2.6 C=C(C)CSc1c[nH]c2c1nccc2 62a_100000748629_100009817151 [0,0,0,0,0,1|3,0,0]=4 283 B15R2.6 C=C(C)CSc1coc2c1cccc2 62a_100000748629_100009812202 [0,0,0,0,0,1|3,0,0]=4 284 B15R2.6 C=C(C)CSc1csc2c1cccc2 62a_100000748629_100009813928 [0,0,0,0,0,1|3,0,0]=4 285 B15R2.6 C=C(C)CSc1n[nH]c2c1cccc2 62a_100000748629_100000050141 [0,0,0,0,0,1|3,0,0]=4 286 B15R2.6 C=C(F)COc1csc2c1cccc2 34a_100000077758_100009893438 [0,0,0,0,0,1|3,0,0]=4 287 B15R2.6 C=C(F)COc1csc2c1cccc2 7a_100000077758_100000042424 [0,0,0,0,0,1|3,0,0]=4 288 B15R2.6 C=C(F)CSc1c[nH]c2c1cccn2 62a_100000042424_100011934613 [0,0,0,0,0,1|3,0,0]=4 289 B15R2.6 C=C(F)CSc1c[nH]c2c1ccnc2 62a_100000042424_100010232032 [0,0,0,0,0,1|3,0,0]=4 290 B15R2.6 C=C(F)CSc1c[nH]c2c1cncc2 62a_100000042424_100000753697 [0,0,0,0,0,1|3,0,0]=4 291 B15R2.6 C=C(F)CSc1c[nH]c2c1nccc2 62a_100000042424_100009817151 [0,0,0,0,0,1|3,0,0]=4 292 B15R2.6 C=C(F)CSc1coc2c1cccc2 62a_100000042424_100009812202 [0,0,0,0,0,1|3,0,0]=4 293 B15R2.6 C=C(F)CSc1csc2c1cccc2 62a_100000042424_100009813928 [0,0,0,0,0,1|3,0,0]=4 294 B15R2.6 C=C(F)CSc1n[nH]c2c1cccc2 62a_100000042424_100000050141 [0,0,0,0,0,1|3,0,0]=4 295 B15R2.6 CC(=O)C=Cc1c[nH]c2c1cccc2 1458a_100016263948_200000210301 [0,0,0,0,0,1|1,0,1]=3 296 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000070787_100011218569 [0,0,0,0,0,1|1,0,0]=2 297 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200000210301 [0,0,0,0,0,1|1,0,0]=2 298 B15R2.6 CC(=O)CCc1c[nH]c2c1cccn2 1458a_100000070787_100009895007 [0,0,0,0,0,1|2,0,0]=3 299 B15R2.6 CC(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_200000210301 [0,0,0,0,0,1|2,0,0]=3 300 B15R2.6 CC(=O)CCn1ccc2c1cccc2 1458a_100000186764_200000210301 [0,0,0,0,0,1|3,0,0]=4 301 B15R2.6 CC(=O)CCn1cnc2c1cccc2 1458a_100000177575_200000210301 [0,0,0,0,0,1|2,0,1]=4 302 B15R2.6 CC(=O)NCc1[nH]nc2c1cccc2 240690a_100011642502_100015343762 [0,0,0,0,0,1|2,0,1]=4 303 B15R2.6 CC(=O)NCc1[nH]nc2c1cccc2 527a_100011642502_100103153847 [0,0,0,0,0,1|2,0,1]=4 304 B15R2.6 CC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100015343762 [0,0,0,0,0,1|1,0,0]=2 305 B15R2.6 CC(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100103153847 [0,0,0,0,0,1|1,0,0]=2 306 B15R2.6 CC(=O)NCc1cnc2n1cccc2 1626a_100015187830_100015343762 [0,0,0,0,0,1|2,0,1]=4 307 B15R2.6 CC(=O)NCc1cnc2n1cccc2 240690a_100015187830_100015343762 [0,0,0,0,0,1|2,0,1]=4 308 B15R2.6 CC(=O)NCc1cnc2n1cccc2 527a_100015187830_100103153847 [0,0,0,0,0,1|2,0,1]=4 309 B15R2.6 CC(=O)NCc1csc2c1cccc2 11a_100000744611_100015343762 [0,0,0,0,0,1|2,0,0]=3 310 B15R2.6 CC(=O)NCc1csc2c1cccc2 1626a_100000744611_100015343762 [0,0,0,0,0,1|2,0,0]=3 311 B15R2.6 CC(=O)NCc1csc2c1cccc2 240690a_100000744611_100015343762 [0,0,0,0,0,1|2,0,0]=3 312 B15R2.6 CC(=O)NCc1csc2c1cccc2 527a_100000744611_100103153847 [0,0,0,0,0,1|2,0,0]=3 313 B15R2.6 CC(O)COc1csc2c1cccc2 34a_100000077758_100011218427 [0,0,0,0,0,1|2,0,1]=4 314 B15R2.6 CC(O)COc1csc2c1cccc2 7a_100000077758_100011218427 [0,0,0,0,0,1|2,0,1]=4 315 B15R2.6 CC(O)CSc1c[nH]c2c1cccn2 62a_100011218427_100011934613 [0,0,0,0,0,1|2,0,1]=4 316 B15R2.6 CC(O)CSc1c[nH]c2c1ccnc2 62a_100011218427_100010232032 [0,0,0,0,0,1|2,0,1]=4 317 B15R2.6 CC(O)CSc1c[nH]c2c1cncc2 62a_100011218427_100000753697 [0,0,0,0,0,1|2,0,1]=4 318 B15R2.6 CC(O)CSc1c[nH]c2c1nccc2 62a_100011218427_100009817151 [0,0,0,0,0,1|2,0,1]=4 319 B15R2.6 CC(O)CSc1coc2c1cccc2 62a_100011218427_100009812202 [0,0,0,0,0,1|2,0,1]=4 320 B15R2.6 CC(O)CSc1csc2c1cccc2 62a_100011218427_100009813928 [0,0,0,0,0,1|2,0,1]=4 321 B15R2.6 CC(O)CSc1n[nH]c2c1cccc2 62a_100011218427_100000050141 [0,0,0,0,0,1|2,0,1]=4 322 B15R2.6 CN(C)CCc1c[nH]c2c1cccc2 2230a_100102631434_100011218569 [0,0,0,0,0,1|3,0,0]=4 323 B15R2.6 CN(C)CCc1c[nH]c2c1cccc2 269982a_100102631434_100011218569 [0,0,0,0,0,1|3,0,0]=4 324 B15R2.6 C[C@@H](O)COc1csc2c1cccc2 34a_100000077758_100009817552 [0,0,0,0,0,1|2,0,1]=4 325 B15R2.6 C[C@@H](O)COc1csc2c1cccc2 7a_100000077758_100009817552 [0,0,0,0,0,1|2,0,1]=4 326 B15R2.6 C[C@@H](O)CSc1c[nH]c2c1cccn2 62a_100009817552_100011934613 [0,0,0,0,0,1|2,0,1]=4 327 B15R2.6 C[C@@H](O)CSc1c[nH]c2c1ccnc2 62a_100009817552_100010232032 [0,0,0,0,0,1|2,0,1]=4 328 B15R2.6 C[C@@H](O)CSc1c[nH]c2c1cncc2 62a_100009817552_100000753697 [0,0,0,0,0,1|2,0,1]=4 329 B15R2.6 C[C@@H](O)CSc1c[nH]c2c1nccc2 62a_100009817552_100009817151 [0,0,0,0,0,1|2,0,1]=4 330 B15R2.6 C[C@@H](O)CSc1coc2c1cccc2 62a_100009817552_100009812202 [0,0,0,0,0,1|2,0,1]=4 331 B15R2.6 C[C@@H](O)CSc1csc2c1cccc2 62a_100009817552_100009813928 [0,0,0,0,0,1|2,0,1]=4 332 B15R2.6 C[C@@H](O)CSc1n[nH]c2c1cccc2 62a_100009817552_100000050141 [0,0,0,0,0,1|2,0,1]=4 333 B15R2.6 NC(=O)COc1csc2c1cccc2 34a_100000077758_100000187820 [0,0,0,0,0,1|2,0,0]=3 334 B15R2.6 NC(=O)COc1csc2c1cccc2 7a_100000077758_100000187820 [0,0,0,0,0,1|2,0,0]=3 335 B15R2.6 NC(=O)CSc1c[nH]c2c1cccn2 62a_100000747473_100011934613 [0,0,0,0,0,1|2,0,0]=3 336 B15R2.6 NC(=O)CSc1c[nH]c2c1ccnc2 62a_100000747473_100010232032 [0,0,0,0,0,1|2,0,0]=3 337 B15R2.6 NC(=O)CSc1c[nH]c2c1cncc2 62a_100000747473_100000753697 [0,0,0,0,0,1|2,0,0]=3 338 B15R2.6 NC(=O)CSc1c[nH]c2c1cncn2 62a_100000747473_100000072862 [0,0,0,0,0,1|3,0,0]=4 339 B15R2.6 NC(=O)CSc1c[nH]c2c1cncn2 62a_100009817560_100000747473 [0,0,0,0,0,1|3,0,0]=4 340 B15R2.6 NC(=O)CSc1c[nH]c2c1nccc2 62a_100000747473_100009817151 [0,0,0,0,0,1|2,0,0]=3 341 B15R2.6 NC(=O)CSc1c[nH]c2c1nccn2 62a_100000747473_100009819587 [0,0,0,0,0,1|3,0,0]=4 342 B15R2.6 NC(=O)CSc1cnc2n1cccc2 62a_100000747473_100011219245 [0,0,0,0,0,1|2,0,1]=4 343 B15R2.6 NC(=O)CSc1cnn2c1cccc2 62a_100000747473_100009817726 [0,0,0,0,0,1|2,0,1]=4 344 B15R2.6 NC(=O)CSc1coc2c1cccc2 62a_100000747473_100009812202 [0,0,0,0,0,1|2,0,0]=3 345 B15R2.6 NC(=O)CSc1coc2c1nccc2 62a_100000747473_100009889148 [0,0,0,0,0,1|3,0,0]=4 346 B15R2.6 NC(=O)CSc1csc2c1cccc2 62a_100000747473_100009813928 [0,0,0,0,0,1|2,0,0]=3 347 B15R2.6 NC(=O)CSc1csc2c1cccn2 62a_100000747473_100009830249 [0,0,0,0,0,1|3,0,0]=4 348 B15R2.6 NC(=O)CSc1csc2c1cccn2 62a_100009830249_100000747473 [0,0,0,0,0,1|3,0,0]=4 349 B15R2.6 NC(=O)CSc1csc2c1ccnc2 62a_100000747473_100009817111 [0,0,0,0,0,1|3,0,0]=4 350 B15R2.6 NC(=O)CSc1csc2c1ccnc2 62a_100009817111_100000747473 [0,0,0,0,0,1|3,0,0]=4 351 B15R2.6 NC(=O)CSc1csc2c1cncc2 62a_100000747473_100010247091 [0,0,0,0,0,1|3,0,0]=4 352 B15R2.6 NC(=O)CSc1csc2c1cncc2 62a_100010247091_100000747473 [0,0,0,0,0,1|3,0,0]=4 353 B15R2.6 NC(=O)CSc1csc2c1nccc2 62a_100000747473_100010247092 [0,0,0,0,0,1|3,0,0]=4 354 B15R2.6 NC(=O)CSc1n[nH]c2c1cccc2 62a_100000747473_100000050141 [0,0,0,0,0,1|2,0,0]=3 355 B15R2.6 NC(=O)CSc1n[nH]c2c1cccn2 62a_100000747473_100009888962 [0,0,0,0,0,1|3,0,0]=4 356 B15R2.6 NC(=O)CSc1n[nH]c2c1ccnc2 62a_100000747473_100010244369 [0,0,0,0,0,1|3,0,0]=4 357 B15R2.6 NC(=O)CSc1n[nH]c2c1cncc2 62a_100000747473_100009820117 [0,0,0,0,0,1|3,0,0]=4 358 B15R2.6 NC(=O)CSc1n[nH]c2c1nccc2 62a_100000747473_100009817118 [0,0,0,0,0,1|3,0,0]=4 359 B15R2.6 NC(=O)CSc1noc2c1cccc2 62a_100000747473_200000703156 [0,0,0,0,0,1|3,0,0]=4 360 B15R2.6 NC(=O)CSc1noc2c1cccc2 62a_200000703156_100000747473 [0,0,0,0,0,1|3,0,0]=4 361 B15R2.6 O=C(O)CNC1CCc2c1cccc2 269956a_100016091260_200000721974 [0,0,0,0,0,1|1,0,2]=4 362 B15R2.6 O=C([O-])COc1csc2c1cccc2 34a_100000077758_100020667443 [0,0,0,0,0,1|1,0,1]=3 363 B15R2.6 O=C([O-])CSc1c[nH]c2c1cccn2 62a_100020667443_100011934613 [0,0,0,0,0,1|1,0,1]=3 364 B15R2.6 O=C([O-])CSc1c[nH]c2c1ccnc2 62a_100020667443_100010232032 [0,0,0,0,0,1|1,0,1]=3 365 B15R2.6 O=C([O-])CSc1c[nH]c2c1cncc2 62a_100020667443_100000753697 [0,0,0,0,0,1|1,0,1]=3 366 B15R2.6 O=C([O-])CSc1c[nH]c2c1cncn2 62a_100009817560_100020667443 [0,0,0,0,0,1|2,0,1]=4 367 B15R2.6 O=C([O-])CSc1c[nH]c2c1cncn2 62a_100020667443_100000072862 [0,0,0,0,0,1|2,0,1]=4 368 B15R2.6 O=C([O-])CSc1c[nH]c2c1nccc2 62a_100020667443_100009817151 [0,0,0,0,0,1|1,0,1]=3 369 B15R2.6 O=C([O-])CSc1c[nH]c2c1nccn2 62a_100020667443_100009819587 [0,0,0,0,0,1|2,0,1]=4 370 B15R2.6 O=C([O-])CSc1cnc2n1cccc2 62a_100020667443_100011219245 [0,0,0,0,0,1|1,0,2]=4 371 B15R2.6 O=C([O-])CSc1cnn2c1cccc2 62a_100020667443_100009817726 [0,0,0,0,0,1|1,0,2]=4 372 B15R2.6 O=C([O-])CSc1coc2c1cccc2 62a_100020667443_100009812202 [0,0,0,0,0,1|1,0,1]=3 373 B15R2.6 O=C([O-])CSc1coc2c1nccc2 62a_100020667443_100009889148 [0,0,0,0,0,1|2,0,1]=4 374 B15R2.6 O=C([O-])CSc1csc2c1cccc2 62a_100020667443_100009813928 [0,0,0,0,0,1|1,0,1]=3 375 B15R2.6 O=C([O-])CSc1csc2c1cccn2 62a_100009830249_100020667443 [0,0,0,0,0,1|2,0,1]=4 376 B15R2.6 O=C([O-])CSc1csc2c1cccn2 62a_100020667443_100009830249 [0,0,0,0,0,1|2,0,1]=4 377 B15R2.6 O=C([O-])CSc1csc2c1ccnc2 62a_100009817111_100020667443 [0,0,0,0,0,1|2,0,1]=4 378 B15R2.6 O=C([O-])CSc1csc2c1ccnc2 62a_100020667443_100009817111 [0,0,0,0,0,1|2,0,1]=4 379 B15R2.6 O=C([O-])CSc1csc2c1cncc2 62a_100010247091_100020667443 [0,0,0,0,0,1|2,0,1]=4 380 B15R2.6 O=C([O-])CSc1csc2c1cncc2 62a_100020667443_100010247091 [0,0,0,0,0,1|2,0,1]=4 381 B15R2.6 O=C([O-])CSc1csc2c1nccc2 62a_100020667443_100010247092 [0,0,0,0,0,1|2,0,1]=4 382 B15R2.6 O=C([O-])CSc1n[nH]c2c1cccc2 62a_100020667443_100000050141 [0,0,0,0,0,1|1,0,1]=3 383 B15R2.6 O=C([O-])CSc1n[nH]c2c1cccn2 62a_100020667443_100009888962 [0,0,0,0,0,1|2,0,1]=4 384 B15R2.6 O=C([O-])CSc1n[nH]c2c1ccnc2 62a_100020667443_100010244369 [0,0,0,0,0,1|2,0,1]=4 385 B15R2.6 O=C([O-])CSc1n[nH]c2c1cncc2 62a_100020667443_100009820117 [0,0,0,0,0,1|2,0,1]=4 386 B15R2.6 O=C([O-])CSc1n[nH]c2c1nccc2 62a_100020667443_100009817118 [0,0,0,0,0,1|2,0,1]=4 387 B15R2.6 O=C([O-])CSc1noc2c1cccc2 62a_100020667443_200000703156 [0,0,0,0,0,1|2,0,1]=4 388 B15R2.6 O=C([O-])CSc1noc2c1cccc2 62a_200000703156_100020667443 [0,0,0,0,0,1|2,0,1]=4 389 B15R2.6 O=[N+]([O-])COc1csc2c1cccc2 34a_100000077758_100000761209 [0,0,0,0,0,1|2,0,1]=4 390 B15R2.6 [13CH3]C(=O)C=Cc1c[nH]c2c1cccc2 1458a_100016263948_200025704644 [0,0,0,0,0,1|1,0,1]=3 391 B15R2.6 [13CH3]C(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200025704644 [0,0,0,0,0,1|1,0,0]=2 392 B15R2.6 [13CH3]C(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_200025704644 [0,0,0,0,0,1|2,0,0]=3 393 B15R2.6 [13CH3]C(=O)CCn1ccc2c1cccc2 1458a_100000186764_200025704644 [0,0,0,0,0,1|3,0,0]=4 394 B15R2.6 [13CH3]C(=O)CCn1cnc2c1cccc2 1458a_100000177575_200025704644 [0,0,0,0,0,1|2,0,1]=4 395 B15R2.1668 CC(=O)Cc1cc2ccccc2cn1 1458a_100000070787_100009869231 [0,0,0,0,0,1|3,0,0]=4 396 B15R2.1668 CC(=O)Cc1ccc2ccccc2c1 1458a_100000070787_100011216711 [0,0,0,0,0,1|2,0,0]=3 397 B15R2.1668 CC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_200000210301 [0,0,0,0,0,1|2,0,0]=3 398 B15R2.1668 CC(=O)Cc1ccc2ccccc2n1 1458a_100000070787_100000737579 [0,0,0,0,0,1|2,0,0]=3 399 B15R2.1668 CC(=O)Cc1ccc2cnccc2c1 1458a_100000070787_100020605334 [0,0,0,0,0,1|3,0,0]=4 400 B15R2.1668 CC(=O)Cc1ccc2ncccc2c1 1458a_100000070787_100000703657 [0,0,0,0,0,1|3,0,0]=4 401 B15R2.1668 CC(=O)Cc1ccc2ncccc2c1 1458a_100011218584_200000210301 [0,0,0,0,0,1|3,0,0]=4 402 B15R2.1668 CC(=O)Cc1cnc2ccccc2n1 1458a_100000070787_200000751123 [0,0,0,0,0,1|1,0,1]=3 403 B15R2.1668 CC(=O)Cc1ncc2ccccc2n1 1458a_100000070787_100009868571 [0,0,0,0,0,1|3,0,0]=4 404 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100015343762 [0,0,0,0,0,1|3,0,0]=4 405 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100015343762 [0,0,0,0,0,1|3,0,0]=4 406 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000070787 [0,0,0,0,0,1|3,0,0]=4 407 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100103153847 [0,0,0,0,0,1|3,0,0]=4 408 B15R2.1668 [13CH3]C(=O)Cc1ccc2ccccc2c1 1458a_100000181716_200025704644 [0,0,0,0,0,1|2,0,0]=3 409 B15R2.1668 [13CH3]C(=O)Cc1ccc2ncccc2c1 1458a_100011218584_200025704644 [0,0,0,0,0,1|3,0,0]=4 410 B15R2.68122 CC(=O)Cc1cccc2c1cccc2 1458a_100000070787_100000188474 [0,0,0,0,0,1|2,0,0]=3 411 B15R2.68122 CC(=O)Cc1cccc2c1cccc2 1458a_100000186155_200000210301 [0,0,0,0,0,1|2,0,0]=3 412 B15R2.68122 CC(=O)Cc1cccc2c1ccnc2 1458a_100000070787_100016989825 [0,0,0,0,0,1|3,0,0]=4 413 B15R2.68122 CC(=O)Cc1cccc2c1nccc2 1458a_100000070787_100000241032 [0,0,0,0,0,1|3,0,0]=4 414 B15R2.68122 CC(=O)Cc1ccnc2c1cccc2 1458a_100000070787_100015192512 [0,0,0,0,0,1|1,0,1]=3 415 B15R2.68122 CC(=O)Cc1nccc2c1cccc2 1458a_100000070787_100000033776 [0,0,0,0,0,1|2,0,0]=3 416 B15R2.68122 CC(=O)Nc1cccc2c1cccc2 11a_100000185869_100015343762 [0,0,0,0,0,1|3,0,0]=4 417 B15R2.68122 CC(=O)Nc1cccc2c1cccc2 1626a_100000185869_100015343762 [0,0,0,0,0,1|3,0,0]=4 418 B15R2.68122 CC(=O)Nc1cccc2c1cccc2 22a_100000185869_100000070787 [0,0,0,0,0,1|3,0,0]=4 419 B15R2.68122 [13CH3]C(=O)Cc1cccc2c1cccc2 1458a_100000186155_200025704644 [0,0,0,0,0,1|2,0,0]=3 420 B12R1.121 C=Cc1ccccc1CCC=O 271570a_100011290941_100011713448 [1,0,1,0,0,0|1,0,1]=4 421 B12R1.121 C=Cc1ccccc1NCC=O 34a_100012022501_200009817547 [1,0,1,0,0,0|2,0,0]=4 422 B12R1.121 C=Cc1ccccc1SCC=O 62a_100011218376_200015260668 [1,0,1,0,0,0|2,0,0]=4 423 B12R1.121 C=Cc1ccccc1SCC=O 62a_200015260668_100011218376 [1,0,1,0,0,0|2,0,0]=4 424 B12R1.121 CNc1ccccc1OCC=O 34a_100000033821_200009817547 [1,0,1,0,0,0|1,0,1]=4 425 B12R1.121 CNc1ccccc1SCC=O 62a_100020606079_200015260668 [1,0,1,0,0,0|1,0,1]=4 426 B12R1.121 CNc1ccccc1SCC=O 62a_200015260668_100020606079 [1,0,1,0,0,0|1,0,1]=4 427 B12R1.121 NNc1ccccc1SCC=O 62a_100000241748_200015260668 [1,0,1,0,0,0|2,0,0]=4 428 B12R1.121 NNc1ccccc1SCC=O 62a_200015260668_100000241748 [1,0,1,0,0,0|2,0,0]=4 429 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [1,0,1,0,0,0|2,0,0]=4 430 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [1,0,1,0,0,0|2,0,0]=4 431 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [1,0,1,0,0,0|2,0,0]=4 432 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [1,0,1,0,0,0|2,0,0]=4 433 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [1,0,1,0,0,0|1,0,1]=4 434 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [1,0,1,0,0,0|1,0,1]=4 435 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [1,0,1,0,0,0|1,0,1]=4 436 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [1,0,1,0,0,0|2,0,0]=4 437 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [1,0,1,0,0,0|1,0,1]=4 438 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [1,0,1,0,0,0|2,0,0]=4 439 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [1,0,1,0,0,0|1,0,1]=4 440 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [1,0,1,0,0,0|1,0,1]=4 441 B12R2.1 C=Cc1c[nH]c2c1cccn2 271570a_100011290941_100011934613 [2,0,0,0,0,0|1,0,1]=4 442 B12R2.1 C=Cc1c[nH]c2c1ccnc2 271570a_100011290941_100010232032 [2,0,0,0,0,0|1,0,1]=4 443 B12R2.1 C=Cc1c[nH]c2c1cncc2 271570a_100011290941_100011934843 [2,0,0,0,0,0|1,0,1]=4 444 B12R2.1 C=Cc1c[nH]c2c1nccc2 271570a_100011290941_100009817151 [2,0,0,0,0,0|1,0,1]=4 445 B12R2.1 C=Cc1coc2c1cccc2 271570a_100011290941_100009812202 [2,0,0,0,0,0|1,0,1]=4 446 B12R2.1 C=Cc1csc2c1cccc2 271570a_100011290941_100009813928 [2,0,0,0,0,0|1,0,1]=4 447 B12R2.1 C=Cc1n[nH]c2c1cccc2 271570a_100011290941_100000050141 [2,0,0,0,0,0|1,0,1]=4 448 B14R1.482 NC(=O)CSc1ccccc1NC=O 62a_100000747473_200020615051 [0,1,1,0,0,0|2,0,0]=4 449 B14R1.482 NC(=O)CSc1ccccc1NC=O 62a_200020615051_100000747473 [0,1,1,0,0,0|2,0,0]=4 450 B14R1.482 O=CNc1ccccc1SCC(=O)[O-] 62a_100020667443_200020615051 [0,1,1,0,0,0|1,0,1]=4 451 B14R1.482 O=CNc1ccccc1SCC(=O)[O-] 62a_200020615051_100020667443 [0,1,1,0,0,0|1,0,1]=4 452 B14R1.840 C=Cc1ccccc1C(=O)CC(=O)C 271570a_100011290941_200011243946 [0,1,1,0,0,0|2,0,0]=4 453 B14R1.840 C=Cc1ccccc1C(=O)CC(=O)N 1458a_100011830265_100000187820 [0,1,1,0,0,0|2,0,0]=4 454 B14R1.840 C=Cc1ccccc1C(=O)CC(=O)[O-] 1458a_100011830265_100020667443 [0,1,1,0,0,0|1,0,1]=4 455 B14R1.863 C=Cc1ccccc1/C=C/C(=O)OC 271570a_100011290941_100000151022 [0,1,1,0,0,0|1,0,1]=4 456 B14R1.863 C=Cc1ccccc1CCC(=O)OC 271570a_100011290941_100009815308 [0,1,1,0,0,0|1,0,1]=4 457 B14R1.863 C=Cc1ccccc1NCC(=O)OC 34a_100012022501_100000747449 [0,1,1,0,0,0|2,0,0]=4 458 B14R1.863 C=Cc1ccccc1OCC(=O)OC 271570a_100011290941_200000173920 [0,1,1,0,0,0|2,0,0]=4 459 B14R1.863 C=Cc1ccccc1SCC(=O)OC 62a_100000747449_100011218376 [0,1,1,0,0,0|2,0,0]=4 460 B14R1.863 C=Cc1ccccc1SCC(=O)OC 62a_100011218376_100000747449 [0,1,1,0,0,0|2,0,0]=4 461 B14R1.863 CNc1ccccc1OCC(=O)OC 34a_100000033821_100000747449 [0,1,1,0,0,0|1,0,1]=4 462 B14R1.863 CNc1ccccc1SCC(=O)OC 62a_100000747449_100020606079 [0,1,1,0,0,0|1,0,1]=4 463 B14R1.863 CNc1ccccc1SCC(=O)OC 62a_100020606079_100000747449 [0,1,1,0,0,0|1,0,1]=4 464 B14R1.863 COC(=O)CSc1ccccc1NN 62a_100000241748_100000747449 [0,1,1,0,0,0|2,0,0]=4 465 B14R1.863 COC(=O)CSc1ccccc1NN 62a_100000747449_100000241748 [0,1,1,0,0,0|2,0,0]=4 466 B14R1.587 COC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000747449 [0,1,1,0,0,0|2,0,0]=4 467 B14R1.587 COC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000747449 [0,1,1,0,0,0|2,0,0]=4 468 B14R1.587 COC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000747449 [0,1,1,0,0,0|2,0,0]=4 469 B14R1.587 COC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000747449 [0,1,1,0,0,0|2,0,0]=4 470 B14R1.587 COC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000747449 [0,1,1,0,0,0|2,0,0]=4 471 B14R1.587 COC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000747449 [0,1,1,0,0,0|2,0,0]=4 472 B14R1.587 COC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000747449 [0,1,1,0,0,0|2,0,0]=4 473 B14R1.587 Cc1ccccc1C(=O)CC(=O)CO 1458a_100000210174_100000741374 [0,1,1,0,0,0|2,0,0]=4 474 B14R1.587 O=C(CO)CC(=O)c1ccccc1Br 1458a_100000210174_100000199116 [0,1,1,0,0,0|2,0,0]=4 475 B14R1.587 O=C(CO)CC(=O)c1ccccc1Cl 1458a_100000210174_100000211432 [0,1,1,0,0,0|2,0,0]=4 476 B14R1.587 O=C(CO)CC(=O)c1ccccc1F 1458a_100000210174_100000204681 [0,1,1,0,0,0|2,0,0]=4 477 B14R1.587 O=C(CO)CC(=O)c1ccccc1O 1458a_100000210174_100000188908 [0,1,1,0,0,0|2,0,0]=4 478 B14R1.423 CC(=O)C=CC(=O)Nc1ccccc1 1458a_200016255450_200000210301 [0,1,1,0,0,0|1,0,1]=4 479 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 1458a_100000070787_100000242058 [0,1,1,0,0,0|1,0,1]=4 480 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_200000210301 [0,1,1,0,0,0|1,0,1]=4 481 B14R1.423 CC(=O)CNC(=O)Nc1ccccc1 1458a_100000181911_200000210301 [0,1,1,0,0,0|2,0,0]=4 482 B14R1.423 NC(=O)CCC(=O)Nc1ccccc1 22a_100000106764_100011215257 [0,1,1,0,0,0|1,0,1]=4 483 B14R1.423 NC(=O)CCC(=O)Nc1ccccc1 527a_100000106764_100011215257 [0,1,1,0,0,0|1,0,1]=4 484 B14R1.423 NC(=O)CNC(=O)Nc1ccccc1 2430a_100000106764_100000711301 [0,1,1,0,0,0|2,0,0]=4 485 B14R1.423 [13CH3]C(=O)C=CC(=O)Nc1ccccc1 1458a_200016255450_200025704644 [0,1,1,0,0,0|1,0,1]=4 486 B14R1.423 [13CH3]C(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_200025704644 [0,1,1,0,0,0|1,0,1]=4 487 B14R1.423 [13CH3]C(=O)CNC(=O)Nc1ccccc1 1458a_100000181911_200025704644 [0,1,1,0,0,0|2,0,0]=4 488 B14R1.716 COC(=O)/C=C/CNc1ccccc1 34a_100000106764_100000742655 [0,1,1,0,0,0|0,0,2]=4 489 B14R1.716 COC(=O)CC=NNc1ccccc1 4a_100015195140_200011552997 [0,1,1,0,0,0|1,0,0]=3 490 B14R1.716 COC(=O)CC=NNc1ccccn1 4a_100000183288_200011552997 [0,1,1,0,0,0|2,0,0]=4 491 B14R1.716 COC(=O)CC=NNc1cccnc1 4a_100000728903_200011552997 [0,1,1,0,0,0|2,0,0]=4 492 B14R1.716 COC(=O)CC=NNc1ccncc1 4a_100000698918_200011552997 [0,1,1,0,0,0|2,0,0]=4 493 B14R1.716 COC(=O)CCCNc1ccccc1 34a_100000106764_100000742333 [0,1,1,0,0,0|0,0,2]=4 494 B14R1.818 NC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000187820 [0,1,1,0,0,0|2,0,0]=4 495 B14R1.818 NC(=O)CC(=O)NNc1ccccc1 22a_100015195140_100134613110 [0,1,1,0,0,0|2,0,0]=4 496 B14R1.818 O=C([O-])CC(=O)C=Cc1ccccc1 1458a_100000210462_100020667443 [0,1,1,0,0,0|1,0,1]=4 497 B14R1.515 C=CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210623 [0,1,1,0,0,0|2,0,0]=4 498 B14R1.515 CNCC(CC(=O)O)c1ccccc1 269956a_100016987574_200000210301 [0,1,1,0,0,0|0,0,2]=4 499 B14R1.515 O=CCN(CC(=O)O)c1ccccc1 269956a_100000212060_200015260668 [0,1,1,0,0,0|2,0,0]=4 500 B14R1.515 [13CH3]NCC(CC(=O)O)c1ccccc1 269956a_100016987574_200025704644 [0,1,1,0,0,0|0,0,2]=4 501 B14R2.3 C=CCOc1csc2c1cccc2 34a_100000077758_100015514636 [1,1,0,0,0,0|2,0,0]=4 502 B14R2.3 C=CCOc1csc2c1cccc2 7a_100000077758_100015514636 [1,1,0,0,0,0|2,0,0]=4 503 B14R2.3 C=CCSc1c[nH]c2c1cccn2 62a_100000210623_100011934613 [1,1,0,0,0,0|2,0,0]=4 504 B14R2.3 C=CCSc1c[nH]c2c1ccnc2 62a_100000210623_100010232032 [1,1,0,0,0,0|2,0,0]=4 505 B14R2.3 C=CCSc1c[nH]c2c1cncc2 62a_100000210623_100000753697 [1,1,0,0,0,0|2,0,0]=4 506 B14R2.3 C=CCSc1c[nH]c2c1nccc2 62a_100000210623_100009817151 [1,1,0,0,0,0|2,0,0]=4 507 B14R2.3 C=CCSc1coc2c1cccc2 62a_100000210623_100009812202 [1,1,0,0,0,0|2,0,0]=4 508 B14R2.3 C=CCSc1csc2c1cccc2 62a_100000210623_100009813928 [1,1,0,0,0,0|2,0,0]=4 509 B14R2.3 C=CCSc1n[nH]c2c1cccc2 62a_100000210623_100000050141 [1,1,0,0,0,0|2,0,0]=4 510 B14R2.3 CNCCc1c[nH]c2c1cccc2 2230a_100000211132_200000210301 [1,1,0,0,0,0|1,0,1]=4 511 B14R2.3 CNCCc1c[nH]c2c1cccc2 2230a_106832991635_100011218569 [1,1,0,0,0,0|1,0,1]=4 512 B14R2.3 CNCCc1c[nH]c2c1cccc2 34a_100102657272_100011218569 [1,1,0,0,0,0|1,0,1]=4 513 B14R2.3 CNCCc1c[nH]c2c1cccc2 7a_106832991635_100011218569 [1,1,0,0,0,0|1,0,1]=4 514 B14R2.3 COCCc1c[nH]c2c1cccc2 34a_100000752351_200000210301 [1,1,0,0,0,0|0,0,1]=3 515 B14R2.3 COCCc1c[nH]c2c1cccc2 34a_100138415774_100011218569 [1,1,0,0,0,0|0,0,1]=3 516 B14R2.3 CSCCc1c[nH]c2c1cccc2 62a_200000210301_100011218569 [1,1,0,0,0,0|0,1,1]=4 517 B14R2.3 O=CCOc1csc2c1cccc2 34a_100000077758_200009817547 [1,1,0,0,0,0|1,0,0]=3 518 B14R2.3 O=CCOc1csc2c1cccc2 7a_100000077758_200015260668 [1,1,0,0,0,0|1,0,0]=3 519 B14R2.3 O=CCSc1c[nH]c2c1cccn2 62a_200015260668_100011934613 [1,1,0,0,0,0|1,0,0]=3 520 B14R2.3 O=CCSc1c[nH]c2c1ccnc2 62a_200015260668_100010232032 [1,1,0,0,0,0|1,0,0]=3 521 B14R2.3 O=CCSc1c[nH]c2c1cncc2 62a_200015260668_100000753697 [1,1,0,0,0,0|1,0,0]=3 522 B14R2.3 O=CCSc1c[nH]c2c1cncn2 62a_100009817560_200015260668 [1,1,0,0,0,0|2,0,0]=4 523 B14R2.3 O=CCSc1c[nH]c2c1cncn2 62a_200015260668_100000072862 [1,1,0,0,0,0|2,0,0]=4 524 B14R2.3 O=CCSc1c[nH]c2c1nccc2 62a_200015260668_100009817151 [1,1,0,0,0,0|1,0,0]=3 525 B14R2.3 O=CCSc1c[nH]c2c1nccn2 62a_200015260668_100009819587 [1,1,0,0,0,0|2,0,0]=4 526 B14R2.3 O=CCSc1cnc2n1cccc2 62a_200015260668_100011219245 [1,1,0,0,0,0|1,0,1]=4 527 B14R2.3 O=CCSc1cnn2c1cccc2 62a_200015260668_100009817726 [1,1,0,0,0,0|1,0,1]=4 528 B14R2.3 O=CCSc1coc2c1cccc2 62a_200015260668_100009812202 [1,1,0,0,0,0|1,0,0]=3 529 B14R2.3 O=CCSc1coc2c1nccc2 62a_200015260668_100009889148 [1,1,0,0,0,0|2,0,0]=4 530 B14R2.3 O=CCSc1csc2c1cccc2 62a_200015260668_100009813928 [1,1,0,0,0,0|1,0,0]=3 531 B14R2.3 O=CCSc1csc2c1cccn2 62a_100009830249_200015260668 [1,1,0,0,0,0|2,0,0]=4 532 B14R2.3 O=CCSc1csc2c1cccn2 62a_200015260668_100009830249 [1,1,0,0,0,0|2,0,0]=4 533 B14R2.3 O=CCSc1csc2c1ccnc2 62a_100009817111_200015260668 [1,1,0,0,0,0|2,0,0]=4 534 B14R2.3 O=CCSc1csc2c1ccnc2 62a_200015260668_100009817111 [1,1,0,0,0,0|2,0,0]=4 535 B14R2.3 O=CCSc1csc2c1cncc2 62a_100010247091_200015260668 [1,1,0,0,0,0|2,0,0]=4 536 B14R2.3 O=CCSc1csc2c1cncc2 62a_200015260668_100010247091 [1,1,0,0,0,0|2,0,0]=4 537 B14R2.3 O=CCSc1csc2c1nccc2 62a_200015260668_100010247092 [1,1,0,0,0,0|2,0,0]=4 538 B14R2.3 O=CCSc1n[nH]c2c1cccc2 62a_200015260668_100000050141 [1,1,0,0,0,0|1,0,0]=3 539 B14R2.3 O=CCSc1n[nH]c2c1cccn2 62a_200015260668_100009888962 [1,1,0,0,0,0|2,0,0]=4 540 B14R2.3 O=CCSc1n[nH]c2c1ccnc2 62a_200015260668_100010244369 [1,1,0,0,0,0|2,0,0]=4 541 B14R2.3 O=CCSc1n[nH]c2c1cncc2 62a_200015260668_100009820117 [1,1,0,0,0,0|2,0,0]=4 542 B14R2.3 O=CCSc1n[nH]c2c1nccc2 62a_200015260668_100009817118 [1,1,0,0,0,0|2,0,0]=4 543 B14R2.3 O=CCSc1noc2c1cccc2 62a_200000703156_200015260668 [1,1,0,0,0,0|2,0,0]=4 544 B14R2.3 O=CCSc1noc2c1cccc2 62a_200015260668_200000703156 [1,1,0,0,0,0|2,0,0]=4 545 B14R2.3 OCCOc1csc2c1cccc2 34a_100000077758_100000211926 [1,1,0,0,0,0|1,0,1]=4 546 B14R2.3 OCCOc1csc2c1cccc2 7a_100000077758_100000211926 [1,1,0,0,0,0|1,0,1]=4 547 B14R2.3 OCCSc1c[nH]c2c1cccn2 62a_100000211926_100011934613 [1,1,0,0,0,0|1,0,1]=4 548 B14R2.3 OCCSc1c[nH]c2c1ccnc2 62a_100000211926_100010232032 [1,1,0,0,0,0|1,0,1]=4 549 B14R2.3 OCCSc1c[nH]c2c1cncc2 62a_100000211926_100000753697 [1,1,0,0,0,0|1,0,1]=4 550 B14R2.3 OCCSc1c[nH]c2c1nccc2 62a_100000211926_100009817151 [1,1,0,0,0,0|1,0,1]=4 551 B14R2.3 OCCSc1coc2c1cccc2 62a_100000211926_100009812202 [1,1,0,0,0,0|1,0,1]=4 552 B14R2.3 OCCSc1csc2c1cccc2 62a_100000211926_100009813928 [1,1,0,0,0,0|1,0,1]=4 553 B14R2.3 OCCSc1n[nH]c2c1cccc2 62a_100000211926_100000050141 [1,1,0,0,0,0|1,0,1]=4 554 B14R2.3 [13CH3]NCCc1c[nH]c2c1cccc2 2230a_100000211132_200025704644 [1,1,0,0,0,0|1,0,1]=4 555 B14R2.3 [13CH3]OCCc1c[nH]c2c1cccc2 34a_100000752351_200025704644 [1,1,0,0,0,0|0,0,1]=3 556 B14R2.3 [13CH3]SCCc1c[nH]c2c1cccc2 62a_200025704644_100011218569 [1,1,0,0,0,0|0,1,1]=4 557 B14R2.7 CNCc1c[nH]c2c1cccc2Br 270004a_106832991635_100009814786 [1,1,0,0,0,0|2,0,0]=4 558 B14R2.7 CNCc1c[nH]c2c1cccc2C 270004a_106832991635_100000040139 [1,1,0,0,0,0|2,0,0]=4 559 B14R2.7 CNCc1c[nH]c2c1cccc2Cl 270004a_106832991635_100011361501 [1,1,0,0,0,0|2,0,0]=4 560 B14R2.467 N#CCc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100000690303 [1,1,0,0,0,0|1,0,1]=4 561 B14R2.467 OCCc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100010243507 [1,1,0,0,0,0|0,0,1]=3 562 B14R2.510 CNCc1cn(c2c1cccc2)C 34a_100011997738_200000210301 [1,1,0,0,0,0|2,0,0]=4 563 B14R2.510 Cn1cc(c2c1cccc2)CN[13CH3] 34a_100011997738_200025704644 [1,1,0,0,0,0|2,0,0]=4 564 B14R2.6368 N#CCc1c[nH]c2c1c(ccc2)O 271570a_203496583355_100000693483 [1,1,0,0,0,0|1,0,1]=4 565 B14R2.6368 OCCc1c[nH]c2c1c(ccc2)O 271570a_203496583355_100010188552 [1,1,0,0,0,0|0,0,1]=3 566 B14R2.6419 NCCc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100016990496 [1,1,0,0,0,0|1,0,1]=4 567 B14R2.6419 OCCc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100011933977 [1,1,0,0,0,0|0,0,1]=3 568 B14R2.5816 CC(=O)c1c[nH]c2c1cc(cc2)O 271570a_203496583355_100000731263 [0,1,0,0,1,0|1,0,0]=3 569 B14R2.5816 CC(=O)c1c[nH]c2c1cc(cn2)O 271570a_203496583355_100012343711 [0,1,0,0,1,0|2,0,0]=4 570 B14R2.5816 CC(=O)c1c[nH]c2c1cc(nc2)O 271570a_203496583355_100010761600 [0,1,0,0,1,0|2,0,0]=4 571 B14R2.5816 CC(=O)c1csc2c1cc(cc2)O 271570a_203496583355_100010167055 [0,1,0,0,1,0|2,0,0]=4 572 B14R2.5816 CC(=O)c1n[nH]c2c1cc(cc2)O 271570a_203496583355_100010178523 [0,1,0,0,1,0|2,0,0]=4 573 B14R2.8032 CC(=O)c1c[nH]c2c1cccc2O 271570a_203496583355_100010272396 [0,1,0,0,1,0|1,0,0]=3 574 B14R2.8053 CC(=O)c1c[nH]c2c1c(ccn2)O 271570a_203496583355_100012185045 [0,1,0,0,1,0|2,0,0]=4 575 B16R2.12 CC(=O)C(C)Oc1csc2c1cccc2 7a_100000077758_100000179758 [0,1,0,0,0,1|2,0,0]=4 576 B16R2.12 CC(=O)C(C)Sc1c[nH]c2c1cccn2 62a_100009814033_100011934613 [0,1,0,0,0,1|2,0,0]=4 577 B16R2.12 CC(=O)C(C)Sc1c[nH]c2c1ccnc2 62a_100009814033_100010232032 [0,1,0,0,0,1|2,0,0]=4 578 B16R2.12 CC(=O)C(C)Sc1c[nH]c2c1cncc2 62a_100009814033_100000753697 [0,1,0,0,0,1|2,0,0]=4 579 B16R2.12 CC(=O)C(C)Sc1c[nH]c2c1nccc2 62a_100009814033_100009817151 [0,1,0,0,0,1|2,0,0]=4 580 B16R2.12 CC(=O)C(C)Sc1coc2c1cccc2 62a_100009814033_100009812202 [0,1,0,0,0,1|2,0,0]=4 581 B16R2.12 CC(=O)C(C)Sc1csc2c1cccc2 62a_100009814033_100009813928 [0,1,0,0,0,1|2,0,0]=4 582 B16R2.12 CC(=O)C(C)Sc1n[nH]c2c1cccc2 62a_100009814033_100000050141 [0,1,0,0,0,1|2,0,0]=4 583 B16R2.12 CC(Oc1csc2c1cccc2)C(=O)N 34a_100000077758_100000702099 [0,1,0,0,0,1|2,0,0]=4 584 B16R2.12 CC(Oc1csc2c1cccc2)C(=O)N 7a_100000077758_100000702099 [0,1,0,0,0,1|2,0,0]=4 585 B16R2.12 CC(Sc1c[nH]c2c1cccn2)C(=O)N 62a_100000702099_100011934613 [0,1,0,0,0,1|2,0,0]=4 586 B16R2.12 CC(Sc1c[nH]c2c1ccnc2)C(=O)N 62a_100000702099_100010232032 [0,1,0,0,0,1|2,0,0]=4 587 B16R2.12 CC(Sc1c[nH]c2c1cncc2)C(=O)N 62a_100000702099_100000753697 [0,1,0,0,0,1|2,0,0]=4 588 B16R2.12 CC(Sc1c[nH]c2c1nccc2)C(=O)N 62a_100000702099_100009817151 [0,1,0,0,0,1|2,0,0]=4 589 B16R2.12 CC(Sc1coc2c1cccc2)C(=O)N 62a_100000702099_100009812202 [0,1,0,0,0,1|2,0,0]=4 590 B16R2.12 CC(Sc1csc2c1cccc2)C(=O)N 62a_100000702099_100009813928 [0,1,0,0,0,1|2,0,0]=4 591 B16R2.12 CC(Sc1n[nH]c2c1cccc2)C(=O)N 62a_100000702099_100000050141 [0,1,0,0,0,1|2,0,0]=4 592 B16R2.12 NC(=O)C(F)Oc1csc2c1cccc2 34a_100000077758_100009813875 [0,1,0,0,0,1|2,0,0]=4 593 B16R2.12 NC(=O)C(F)Oc1csc2c1cccc2 7a_100000077758_100009813875 [0,1,0,0,0,1|2,0,0]=4 594 B16R2.12 NC(=O)C(F)Sc1c[nH]c2c1cccn2 62a_100009813875_100011934613 [0,1,0,0,0,1|2,0,0]=4 595 B16R2.12 NC(=O)C(F)Sc1c[nH]c2c1ccnc2 62a_100009813875_100010232032 [0,1,0,0,0,1|2,0,0]=4 596 B16R2.12 NC(=O)C(F)Sc1c[nH]c2c1cncc2 62a_100009813875_100000753697 [0,1,0,0,0,1|2,0,0]=4 597 B16R2.12 NC(=O)C(F)Sc1c[nH]c2c1nccc2 62a_100009813875_100009817151 [0,1,0,0,0,1|2,0,0]=4 598 B16R2.12 NC(=O)C(F)Sc1coc2c1cccc2 62a_100009813875_100009812202 [0,1,0,0,0,1|2,0,0]=4 599 B16R2.12 NC(=O)C(F)Sc1csc2c1cccc2 62a_100009813875_100009813928 [0,1,0,0,0,1|2,0,0]=4 600 B16R2.12 NC(=O)C(F)Sc1n[nH]c2c1cccc2 62a_100009813875_100000050141 [0,1,0,0,0,1|2,0,0]=4 601 B16R2.12 O=C([O-])C(F)Oc1csc2c1cccc2 34a_100000077758_100020610796 [0,1,0,0,0,1|1,0,1]=4 602 B16R2.12 O=C([O-])C(F)Sc1c[nH]c2c1cccn2 62a_100020610796_100011934613 [0,1,0,0,0,1|1,0,1]=4 603 B16R2.12 O=C([O-])C(F)Sc1c[nH]c2c1ccnc2 62a_100020610796_100010232032 [0,1,0,0,0,1|1,0,1]=4 604 B16R2.12 O=C([O-])C(F)Sc1c[nH]c2c1cncc2 62a_100020610796_100000753697 [0,1,0,0,0,1|1,0,1]=4 605 B16R2.12 O=C([O-])C(F)Sc1c[nH]c2c1nccc2 62a_100020610796_100009817151 [0,1,0,0,0,1|1,0,1]=4 606 B16R2.12 O=C([O-])C(F)Sc1coc2c1cccc2 62a_100020610796_100009812202 [0,1,0,0,0,1|1,0,1]=4 607 B16R2.12 O=C([O-])C(F)Sc1csc2c1cccc2 62a_100020610796_100009813928 [0,1,0,0,0,1|1,0,1]=4 608 B16R2.12 O=C([O-])C(F)Sc1n[nH]c2c1cccc2 62a_100020610796_100000050141 [0,1,0,0,0,1|1,0,1]=4 609 B16R2.14 C#CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211873_100011218569 [0,1,0,0,0,1|1,0,0]=3 610 B16R2.14 C#CC(=O)CCc1c[nH]c2c1cccn2 1458a_100000211873_100009895007 [0,1,0,0,0,1|2,0,0]=4 611 B16R2.14 C=CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000185746_100011218569 [0,1,0,0,0,1|1,0,0]=3 612 B16R2.14 C=CC(=O)CCc1c[nH]c2c1cccn2 1458a_100000185746_100009895007 [0,1,0,0,0,1|2,0,0]=4 613 B16R2.14 C=CC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_200121576911 [0,1,0,0,0,1|1,0,0]=3 614 B16R2.14 C=CC(=O)NCc1csc2c1cccc2 1626a_100000744611_100000185746 [0,1,0,0,0,1|2,0,0]=4 615 B16R2.14 C=CC(=O)NCc1csc2c1cccc2 240690a_100000744611_200121576911 [0,1,0,0,0,1|2,0,0]=4 616 B16R2.14 CCC(=O)C=Cc1c[nH]c2c1cccc2 1458a_100016263948_100000210202 [0,1,0,0,0,1|1,0,1]=4 617 B16R2.14 CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000210414_100011218569 [0,1,0,0,0,1|1,0,0]=3 618 B16R2.14 CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_100000210202 [0,1,0,0,0,1|1,0,0]=3 619 B16R2.14 CCC(=O)CCc1c[nH]c2c1cccn2 1458a_100000210414_100009895007 [0,1,0,0,0,1|2,0,0]=4 620 B16R2.14 CCC(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_100000210202 [0,1,0,0,0,1|2,0,0]=4 621 B16R2.14 CCC(=O)COc1csc2c1cccc2 7a_100000077758_100000747405 [0,1,0,0,0,1|2,0,0]=4 622 B16R2.14 CCC(=O)CSc1c[nH]c2c1cccn2 62a_100000747405_100011934613 [0,1,0,0,0,1|2,0,0]=4 623 B16R2.14 CCC(=O)CSc1c[nH]c2c1ccnc2 62a_100000747405_100010232032 [0,1,0,0,0,1|2,0,0]=4 624 B16R2.14 CCC(=O)CSc1c[nH]c2c1cncc2 62a_100000747405_100000753697 [0,1,0,0,0,1|2,0,0]=4 625 B16R2.14 CCC(=O)CSc1c[nH]c2c1nccc2 62a_100000747405_100009817151 [0,1,0,0,0,1|2,0,0]=4 626 B16R2.14 CCC(=O)CSc1coc2c1cccc2 62a_100000747405_100009812202 [0,1,0,0,0,1|2,0,0]=4 627 B16R2.14 CCC(=O)CSc1csc2c1cccc2 62a_100000747405_100009813928 [0,1,0,0,0,1|2,0,0]=4 628 B16R2.14 CCC(=O)CSc1n[nH]c2c1cccc2 62a_100000747405_100000050141 [0,1,0,0,0,1|2,0,0]=4 629 B16R2.14 CCC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100000210414 [0,1,0,0,0,1|1,0,0]=3 630 B16R2.14 CCC(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100000210414 [0,1,0,0,0,1|1,0,0]=3 631 B16R2.14 CCC(=O)NCc1csc2c1cccc2 11a_100000744611_100000210414 [0,1,0,0,0,1|2,0,0]=4 632 B16R2.14 CCC(=O)NCc1csc2c1cccc2 1626a_100000744611_100000210414 [0,1,0,0,0,1|2,0,0]=4 633 B16R2.14 CCC(=O)NCc1csc2c1cccc2 240690a_100000744611_100000210414 [0,1,0,0,0,1|2,0,0]=4 634 B16R2.14 CCC(=O)NCc1csc2c1cccc2 527a_100000744611_100000210414 [0,1,0,0,0,1|2,0,0]=4 635 B16R2.14 CNC(=O)C=Cc1c[nH]c2c1cccc2 240690a_100102657272_100016263948 [0,1,0,0,0,1|1,0,1]=4 636 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 11a_106832991635_100000211458 [0,1,0,0,0,1|1,0,0]=3 637 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 1626a_100102657272_100000211458 [0,1,0,0,0,1|1,0,0]=3 638 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 240690a_100102657272_100000211458 [0,1,0,0,0,1|1,0,0]=3 639 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 527a_100102657272_100000211458 [0,1,0,0,0,1|1,0,0]=3 640 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccn2 11a_106832991635_100102525369 [0,1,0,0,0,1|2,0,0]=4 641 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccn2 240690a_100102657272_100102525369 [0,1,0,0,0,1|2,0,0]=4 642 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccn2 527a_100102657272_100102525369 [0,1,0,0,0,1|2,0,0]=4 643 B16R2.14 CNC(=O)COc1csc2c1cccc2 34a_100000077758_100000183359 [0,1,0,0,0,1|2,0,0]=4 644 B16R2.14 CNC(=O)COc1csc2c1cccc2 7a_100000077758_100000183359 [0,1,0,0,0,1|2,0,0]=4 645 B16R2.14 CNC(=O)CSc1c[nH]c2c1cccn2 62a_100000183359_100011934613 [0,1,0,0,0,1|2,0,0]=4 646 B16R2.14 CNC(=O)CSc1c[nH]c2c1ccnc2 62a_100000183359_100010232032 [0,1,0,0,0,1|2,0,0]=4 647 B16R2.14 CNC(=O)CSc1c[nH]c2c1cncc2 62a_100000183359_100000753697 [0,1,0,0,0,1|2,0,0]=4 648 B16R2.14 CNC(=O)CSc1c[nH]c2c1nccc2 62a_100000183359_100009817151 [0,1,0,0,0,1|2,0,0]=4 649 B16R2.14 CNC(=O)CSc1coc2c1cccc2 62a_100000183359_100009812202 [0,1,0,0,0,1|2,0,0]=4 650 B16R2.14 CNC(=O)CSc1csc2c1cccc2 62a_100000183359_100009813928 [0,1,0,0,0,1|2,0,0]=4 651 B16R2.14 CNC(=O)CSc1n[nH]c2c1cccc2 62a_100000183359_100000050141 [0,1,0,0,0,1|2,0,0]=4 652 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 2708a_100015202335_106832991635 [0,1,0,0,0,1|1,0,0]=3 653 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 2708a_100102657272_100015202335 [0,1,0,0,0,1|1,0,0]=3 654 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 273464a_100015202335_100102657272 [0,1,0,0,0,1|1,0,0]=3 655 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 273464a_100102657272_100015202335 [0,1,0,0,0,1|1,0,0]=3 656 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 512a_106832991638_100015202335 [0,1,0,0,0,1|1,0,0]=3 657 B16R2.14 CNC(=O)NCc1csc2c1cccc2 2708a_100000744611_106832991635 [0,1,0,0,0,1|2,0,0]=4 658 B16R2.14 CNC(=O)NCc1csc2c1cccc2 2708a_100102657272_100000744611 [0,1,0,0,0,1|2,0,0]=4 659 B16R2.14 CNC(=O)NCc1csc2c1cccc2 273464a_100000744611_100102657272 [0,1,0,0,0,1|2,0,0]=4 660 B16R2.14 CNC(=O)NCc1csc2c1cccc2 273464a_100102657272_100000744611 [0,1,0,0,0,1|2,0,0]=4 661 B16R2.14 CNC(=O)NCc1csc2c1cccc2 512a_100000744611_100102657272 [0,1,0,0,0,1|2,0,0]=4 662 B16R2.14 CNC(=O)NCc1csc2c1cccc2 512a_106832991638_100000744611 [0,1,0,0,0,1|2,0,0]=4 663 B16R2.14 COC(=O)COc1csc2c1cccc2 34a_100000077758_100000747449 [0,1,0,0,0,1|1,0,0]=3 664 B16R2.14 COC(=O)COc1csc2c1cccc2 7a_100000077758_100000747449 [0,1,0,0,0,1|1,0,0]=3 665 B16R2.14 COC(=O)CSc1c[nH]c2c1cccn2 62a_100000747449_100011934613 [0,1,0,0,0,1|1,0,0]=3 666 B16R2.14 COC(=O)CSc1c[nH]c2c1ccnc2 62a_100000747449_100010232032 [0,1,0,0,0,1|1,0,0]=3 667 B16R2.14 COC(=O)CSc1c[nH]c2c1cncc2 62a_100000747449_100000753697 [0,1,0,0,0,1|1,0,0]=3 668 B16R2.14 COC(=O)CSc1c[nH]c2c1cncn2 62a_100000747449_100000072862 [0,1,0,0,0,1|2,0,0]=4 669 B16R2.14 COC(=O)CSc1c[nH]c2c1cncn2 62a_100009817560_100000747449 [0,1,0,0,0,1|2,0,0]=4 670 B16R2.14 COC(=O)CSc1c[nH]c2c1nccc2 62a_100000747449_100009817151 [0,1,0,0,0,1|1,0,0]=3 671 B16R2.14 COC(=O)CSc1c[nH]c2c1nccn2 62a_100000747449_100009819587 [0,1,0,0,0,1|2,0,0]=4 672 B16R2.14 COC(=O)CSc1cnc2n1cccc2 62a_100000747449_100011219245 [0,1,0,0,0,1|1,0,1]=4 673 B16R2.14 COC(=O)CSc1cnn2c1cccc2 62a_100000747449_100009817726 [0,1,0,0,0,1|1,0,1]=4 674 B16R2.14 COC(=O)CSc1coc2c1cccc2 62a_100000747449_100009812202 [0,1,0,0,0,1|1,0,0]=3 675 B16R2.14 COC(=O)CSc1coc2c1nccc2 62a_100000747449_100009889148 [0,1,0,0,0,1|2,0,0]=4 676 B16R2.14 COC(=O)CSc1csc2c1cccc2 62a_100000747449_100009813928 [0,1,0,0,0,1|1,0,0]=3 677 B16R2.14 COC(=O)CSc1csc2c1cccn2 62a_100000747449_100009830249 [0,1,0,0,0,1|2,0,0]=4 678 B16R2.14 COC(=O)CSc1csc2c1cccn2 62a_100009830249_100000747449 [0,1,0,0,0,1|2,0,0]=4 679 B16R2.14 COC(=O)CSc1csc2c1ccnc2 62a_100000747449_100009817111 [0,1,0,0,0,1|2,0,0]=4 680 B16R2.14 COC(=O)CSc1csc2c1ccnc2 62a_100009817111_100000747449 [0,1,0,0,0,1|2,0,0]=4 681 B16R2.14 COC(=O)CSc1csc2c1cncc2 62a_100000747449_100010247091 [0,1,0,0,0,1|2,0,0]=4 682 B16R2.14 COC(=O)CSc1csc2c1cncc2 62a_100010247091_100000747449 [0,1,0,0,0,1|2,0,0]=4 683 B16R2.14 COC(=O)CSc1csc2c1nccc2 62a_100000747449_100010247092 [0,1,0,0,0,1|2,0,0]=4 684 B16R2.14 COC(=O)CSc1n[nH]c2c1cccc2 62a_100000747449_100000050141 [0,1,0,0,0,1|1,0,0]=3 685 B16R2.14 COC(=O)CSc1n[nH]c2c1cccn2 62a_100000747449_100009888962 [0,1,0,0,0,1|2,0,0]=4 686 B16R2.14 COC(=O)CSc1n[nH]c2c1ccnc2 62a_100000747449_100010244369 [0,1,0,0,0,1|2,0,0]=4 687 B16R2.14 COC(=O)CSc1n[nH]c2c1cncc2 62a_100000747449_100009820117 [0,1,0,0,0,1|2,0,0]=4 688 B16R2.14 COC(=O)CSc1n[nH]c2c1nccc2 62a_100000747449_100009817118 [0,1,0,0,0,1|2,0,0]=4 689 B16R2.14 COC(=O)CSc1noc2c1cccc2 62a_100000747449_200000703156 [0,1,0,0,0,1|2,0,0]=4 690 B16R2.14 COC(=O)CSc1noc2c1cccc2 62a_200000703156_100000747449 [0,1,0,0,0,1|2,0,0]=4 691 B16R2.14 O=C(C=Cc1c[nH]c2c1cccc2)CF 1458a_100016263948_100015361967 [0,1,0,0,0,1|1,0,1]=4 692 B16R2.14 O=C(CF)CCc1c[nH]c2c1cccc2 1458a_100000211458_100015361967 [0,1,0,0,0,1|1,0,0]=3 693 B16R2.14 O=C(CF)CCc1c[nH]c2c1cccn2 1458a_100102525369_100015361967 [0,1,0,0,0,1|2,0,0]=4 694 B16R2.14 O=C(CO)CCc1c[nH]c2c1cccc2 1458a_100000210174_100011218569 [0,1,0,0,0,1|0,0,0]=2 695 B16R2.14 O=C(CO)CCc1c[nH]c2c1cccn2 1458a_100000210174_100009895007 [0,1,0,0,0,1|1,0,0]=3 696 B16R2.14 O=C(CO)NCc1[nH]nc2c1cccc2 240690a_100011642502_100000210174 [0,1,0,0,0,1|1,0,1]=4 697 B16R2.14 O=C(CO)NCc1[nH]nc2c1cccc2 527a_100011642502_100000210174 [0,1,0,0,0,1|1,0,1]=4 698 B16R2.14 O=C(CO)NCc1c[nH]c2c1cccc2 240690a_100015202335_100000210174 [0,1,0,0,0,1|0,0,0]=2 699 B16R2.14 O=C(CO)NCc1c[nH]c2c1cccc2 527a_100015202335_100000210174 [0,1,0,0,0,1|0,0,0]=2 700 B16R2.14 O=C(CO)NCc1cnc2n1cccc2 240690a_100015187830_100000210174 [0,1,0,0,0,1|1,0,1]=4 701 B16R2.14 O=C(CO)NCc1cnc2n1cccc2 527a_100015187830_100000210174 [0,1,0,0,0,1|1,0,1]=4 702 B16R2.14 O=C(CO)NCc1csc2c1cccc2 240690a_100000744611_100000210174 [0,1,0,0,0,1|1,0,0]=3 703 B16R2.14 O=C(CO)NCc1csc2c1cccc2 527a_100000744611_100000210174 [0,1,0,0,0,1|1,0,0]=3 704 B16R2.520 CC(=O)CC(=O)c1c[nH]c2c1cccc2 1458a_100000070787_100000183220 [0,1,0,0,0,1|1,0,0]=3 705 B16R2.520 CC(=O)CC(=O)c1coc2c1cccc2 1458a_100000070787_100000233777 [0,1,0,0,0,1|2,0,0]=4 706 B16R2.520 CC(=O)CC(=O)c1csc2c1cccc2 1458a_100000070787_100000689783 [0,1,0,0,0,1|2,0,0]=4 707 B16R2.520 NC(=O)CC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000187820 [0,1,0,0,0,1|2,0,0]=4 708 B16R2.520 O=C([O-])CC(=O)C1=CCc2c1cccc2 1458a_100000037392_100020667443 [0,1,0,0,0,1|1,0,1]=4 709 B16R2.2947 CS(=O)(=O)NCc1c[nH]c2c1cccc2 40a_100015202335_100000738038 [0,1,0,0,0,1|1,0,1]=4 710 B16R2.2976 Cc1ccc2c(n[nH]c2c1)SCC(=O)N 62a_100000747473_100000049534 [0,1,0,0,0,1|2,0,0]=4 711 B16R2.2976 Cc1ccc2c(n[nH]c2c1)SCC(=O)[O-] 62a_100020667443_100000049534 [0,1,0,0,0,1|1,0,1]=4 712 B16R2.2976 NC(=O)CSc1c[nH]c2c1ccc(n2)Cl 62a_100000747473_100010168512 [0,1,0,0,0,1|2,0,0]=4 713 B16R2.2976 NC(=O)CSc1c[nH]c2c1ccc(n2)F 62a_100000747473_100010168364 [0,1,0,0,0,1|2,0,0]=4 714 B16R2.2976 NC(=O)CSc1c[nH]c2c1cnc(c2)Br 62a_100000747473_100010206817 [0,1,0,0,0,1|2,0,0]=4 715 B16R2.2976 NC(=O)CSc1c[nH]c2c1cnc(c2)Br 62a_100010206817_100000747473 [0,1,0,0,0,1|2,0,0]=4 716 B16R2.2976 NC(=O)CSc1c[nH]c2c1cnc(c2)Cl 62a_100000747473_100010206812 [0,1,0,0,0,1|2,0,0]=4 717 B16R2.2976 NC(=O)CSc1c[nH]c2c1ncc(c2)Br 62a_100000747473_100010208019 [0,1,0,0,0,1|2,0,0]=4 718 B16R2.2976 NC(=O)CSc1c[nH]c2c1ncc(c2)Br 62a_100010208019_100000747473 [0,1,0,0,0,1|2,0,0]=4 719 B16R2.2976 NC(=O)CSc1n[nH]c2c1ccc(c2)Br 62a_100000747473_100010186045 [0,1,0,0,0,1|2,0,0]=4 720 B16R2.2976 NC(=O)CSc1n[nH]c2c1ccc(c2)Br 62a_100010186045_100000747473 [0,1,0,0,0,1|2,0,0]=4 721 B16R2.2976 NC(=O)CSc1n[nH]c2c1ccc(c2)Cl 62a_100000747473_100000049627 [0,1,0,0,0,1|2,0,0]=4 722 B16R2.2976 NC(=O)CSc1n[nH]c2c1ccc(c2)F 62a_100000747473_100000049990 [0,1,0,0,0,1|2,0,0]=4 723 B16R2.2976 NC(=O)CSc1n[nH]c2c1ccc(c2)N 62a_100000747473_100009816878 [0,1,0,0,0,1|2,0,0]=4 724 B16R2.2976 Nc1ccc2c(n[nH]c2c1)SCC(=O)[O-] 62a_100020667443_100009816878 [0,1,0,0,0,1|1,0,1]=4 725 B16R2.2976 O=C([O-])CSc1c[nH]c2c1ccc(n2)Cl 62a_100020667443_100010168512 [0,1,0,0,0,1|1,0,1]=4 726 B16R2.2976 O=C([O-])CSc1c[nH]c2c1ccc(n2)F 62a_100020667443_100010168364 [0,1,0,0,0,1|1,0,1]=4 727 B16R2.2976 O=C([O-])CSc1c[nH]c2c1cnc(c2)Br 62a_100010206817_100020667443 [0,1,0,0,0,1|1,0,1]=4 728 B16R2.2976 O=C([O-])CSc1c[nH]c2c1cnc(c2)Br 62a_100020667443_100010206817 [0,1,0,0,0,1|1,0,1]=4 729 B16R2.2976 O=C([O-])CSc1c[nH]c2c1cnc(c2)Cl 62a_100020667443_100010206812 [0,1,0,0,0,1|1,0,1]=4 730 B16R2.2976 O=C([O-])CSc1c[nH]c2c1ncc(c2)Br 62a_100010208019_100020667443 [0,1,0,0,0,1|1,0,1]=4 731 B16R2.2976 O=C([O-])CSc1c[nH]c2c1ncc(c2)Br 62a_100020667443_100010208019 [0,1,0,0,0,1|1,0,1]=4 732 B16R2.2976 O=C([O-])CSc1n[nH]c2c1ccc(c2)Br 62a_100010186045_100020667443 [0,1,0,0,0,1|1,0,1]=4 733 B16R2.2976 O=C([O-])CSc1n[nH]c2c1ccc(c2)Br 62a_100020667443_100010186045 [0,1,0,0,0,1|1,0,1]=4 734 B16R2.2976 O=C([O-])CSc1n[nH]c2c1ccc(c2)Cl 62a_100020667443_100000049627 [0,1,0,0,0,1|1,0,1]=4 735 B16R2.2976 O=C([O-])CSc1n[nH]c2c1ccc(c2)F 62a_100020667443_100000049990 [0,1,0,0,0,1|1,0,1]=4 736 B16R2.4003 CC(=O)CCn1c(=O)[nH]c2c1cccc2 1458a_100000070787_203549783246 [0,1,0,0,0,1|2,0,0]=4 737 B16R2.4003 CC(=O)NN=C1C(=O)Nc2c1cccc2 4a_100000189765_100000185742 [0,1,0,0,0,1|2,0,0]=4 738 B16R2.4003 Cc1[nH]c2ncccc2c1SCC(=O)N 62a_100000747473_100010174266 [0,1,0,0,0,1|2,0,0]=4 739 B16R2.4003 Cc1[nH]c2ncccc2c1SCC(=O)[O-] 62a_100020667443_100010174266 [0,1,0,0,0,1|1,0,1]=4 740 B16R2.4003 Cc1oc2ccccc2c1SCC(=O)N 62a_100000747473_200010236113 [0,1,0,0,0,1|2,0,0]=4 741 B16R2.4003 Cc1oc2ccccc2c1SCC(=O)[O-] 62a_100020667443_200010236113 [0,1,0,0,0,1|1,0,1]=4 742 B16R2.4003 Cc1sc2ccccc2c1SCC(=O)N 62a_100000747473_100010002616 [0,1,0,0,0,1|2,0,0]=4 743 B16R2.4003 Cc1sc2ccccc2c1SCC(=O)N 62a_100010002616_100000747473 [0,1,0,0,0,1|2,0,0]=4 744 B16R2.4003 Cc1sc2ccccc2c1SCC(=O)[O-] 62a_100010002616_100020667443 [0,1,0,0,0,1|1,0,1]=4 745 B16R2.4003 Cc1sc2ccccc2c1SCC(=O)[O-] 62a_100020667443_100010002616 [0,1,0,0,0,1|1,0,1]=4 746 B16R2.4003 NC(=O)CSC1C(=O)Nc2c1cccc2 62a_100000747473_200009996675 [0,1,0,0,0,1|1,0,1]=4 747 B16R2.4003 O=C(O)CNC1C(=O)Nc2c1cccc2 269956a_100016091260_200009996675 [0,1,0,0,0,1|0,0,1]=3 748 B16R2.4003 O=C([O-])CSC1C(=O)Nc2c1cccc2 62a_100020667443_200009996675 [0,1,0,0,0,1|0,0,2]=4 749 B16R2.15551 CC(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200000210301 [0,1,0,0,0,1|1,0,0]=3 750 B16R2.15551 Cc1ccc2[nH]cc(c2n1)SCC(=O)N 62a_100000747473_100010212567 [0,1,0,0,0,1|2,0,0]=4 751 B16R2.15551 Cc1ccc2[nH]cc(c2n1)SCC(=O)[O-] 62a_100020667443_100010212567 [0,1,0,0,0,1|1,0,1]=4 752 B16R2.15551 Cc1ccc2[nH]nc(c2c1)SCC(=O)N 62a_100000747473_100000123028 [0,1,0,0,0,1|2,0,0]=4 753 B16R2.15551 Cc1ccc2[nH]nc(c2c1)SCC(=O)[O-] 62a_100020667443_100000123028 [0,1,0,0,0,1|1,0,1]=4 754 B16R2.15551 Cc1cnc2[nH]cc(c2c1)SCC(=O)N 62a_100000747473_100010246215 [0,1,0,0,0,1|2,0,0]=4 755 B16R2.15551 Cc1cnc2[nH]cc(c2c1)SCC(=O)[O-] 62a_100020667443_100010246215 [0,1,0,0,0,1|1,0,1]=4 756 B16R2.15551 NC(=O)CSc1c[nH]c2c1cc(cn2)Br 62a_100000747473_100011290788 [0,1,0,0,0,1|2,0,0]=4 757 B16R2.15551 NC(=O)CSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100000747473 [0,1,0,0,0,1|2,0,0]=4 758 B16R2.15551 NC(=O)CSc1c[nH]c2c1cc(cn2)Cl 62a_100000747473_100000050100 [0,1,0,0,0,1|2,0,0]=4 759 B16R2.15551 NC(=O)CSc1c[nH]c2c1cc(cn2)F 62a_100000747473_100010168383 [0,1,0,0,0,1|2,0,0]=4 760 B16R2.15551 NC(=O)CSc1c[nH]c2c1cc(cn2)N 62a_100000747473_100010168510 [0,1,0,0,0,1|2,0,0]=4 761 B16R2.15551 NC(=O)CSc1c[nH]c2c1cc(nc2)Cl 62a_100000747473_100010168685 [0,1,0,0,0,1|2,0,0]=4 762 B16R2.15551 NC(=O)CSc1c[nH]c2c1nc(cc2)Br 62a_100000747473_100010168532 [0,1,0,0,0,1|2,0,0]=4 763 B16R2.15551 NC(=O)CSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100000747473 [0,1,0,0,0,1|2,0,0]=4 764 B16R2.15551 NC(=O)CSc1c[nH]c2c1nc(cc2)Cl 62a_100000747473_100010168529 [0,1,0,0,0,1|2,0,0]=4 765 B16R2.15551 NC(=O)CSc1csc2c1cc(cc2)N 62a_100000747473_100011178648 [0,1,0,0,0,1|2,0,0]=4 766 B16R2.15551 NC(=O)CSc1csc2c1cc(cc2)N 62a_100011178648_100000747473 [0,1,0,0,0,1|2,0,0]=4 767 B16R2.15551 NC(=O)CSc1n[nH]c2c1cc(cc2)Br 62a_100000747473_100010186058 [0,1,0,0,0,1|2,0,0]=4 768 B16R2.15551 NC(=O)CSc1n[nH]c2c1cc(cc2)Cl 62a_100000747473_100010174404 [0,1,0,0,0,1|2,0,0]=4 769 B16R2.15551 NC(=O)CSc1n[nH]c2c1cc(cc2)F 62a_100000747473_100011934747 [0,1,0,0,0,1|2,0,0]=4 770 B16R2.15551 NC(=O)CSc1n[nH]c2c1cc(cc2)N 62a_100000747473_100012353729 [0,1,0,0,0,1|2,0,0]=4 771 B16R2.15551 Nc1ccc2[nH]nc(c2c1)SCC(=O)[O-] 62a_100020667443_100012353729 [0,1,0,0,0,1|1,0,1]=4 772 B16R2.15551 Nc1ccc2scc(c2c1)SCC(=O)[O-] 62a_100011178648_100020667443 [0,1,0,0,0,1|1,0,1]=4 773 B16R2.15551 Nc1ccc2scc(c2c1)SCC(=O)[O-] 62a_100020667443_100011178648 [0,1,0,0,0,1|1,0,1]=4 774 B16R2.15551 Nc1cnc2[nH]cc(c2c1)SCC(=O)[O-] 62a_100020667443_100010168510 [0,1,0,0,0,1|1,0,1]=4 775 B16R2.15551 O=C([O-])CSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100020667443 [0,1,0,0,0,1|1,0,1]=4 776 B16R2.15551 O=C([O-])CSc1c[nH]c2c1cc(cn2)Br 62a_100020667443_100011290788 [0,1,0,0,0,1|1,0,1]=4 777 B16R2.15551 O=C([O-])CSc1c[nH]c2c1cc(cn2)Cl 62a_100020667443_100000050100 [0,1,0,0,0,1|1,0,1]=4 778 B16R2.15551 O=C([O-])CSc1c[nH]c2c1cc(cn2)F 62a_100020667443_100010168383 [0,1,0,0,0,1|1,0,1]=4 779 B16R2.15551 O=C([O-])CSc1c[nH]c2c1cc(nc2)Cl 62a_100020667443_100010168685 [0,1,0,0,0,1|1,0,1]=4 780 B16R2.15551 O=C([O-])CSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100020667443 [0,1,0,0,0,1|1,0,1]=4 781 B16R2.15551 O=C([O-])CSc1c[nH]c2c1nc(cc2)Br 62a_100020667443_100010168532 [0,1,0,0,0,1|1,0,1]=4 782 B16R2.15551 O=C([O-])CSc1c[nH]c2c1nc(cc2)Cl 62a_100020667443_100010168529 [0,1,0,0,0,1|1,0,1]=4 783 B16R2.15551 O=C([O-])CSc1n[nH]c2c1cc(cc2)Br 62a_100020667443_100010186058 [0,1,0,0,0,1|1,0,1]=4 784 B16R2.15551 O=C([O-])CSc1n[nH]c2c1cc(cc2)Cl 62a_100020667443_100010174404 [0,1,0,0,0,1|1,0,1]=4 785 B16R2.15551 O=C([O-])CSc1n[nH]c2c1cc(cc2)F 62a_100020667443_100011934747 [0,1,0,0,0,1|1,0,1]=4 786 B16R2.15551 [13CH3]C(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200025704644 [0,1,0,0,0,1|1,0,0]=3 787 B16R2.22833 Cc1cccc2c1[nH]nc2SCC(=O)N 62a_100000747473_100010186057 [0,1,0,0,0,1|2,0,0]=4 788 B16R2.22833 Cc1cccc2c1[nH]nc2SCC(=O)[O-] 62a_100020667443_100010186057 [0,1,0,0,0,1|1,0,1]=4 789 B16R2.22833 NC(=O)CSc1c[nH]c2c1nccc2Cl 62a_100000747473_100010168581 [0,1,0,0,0,1|2,0,0]=4 790 B16R2.22833 NC(=O)CSc1n[nH]c2c1cccc2Br 62a_100000747473_100010197283 [0,1,0,0,0,1|2,0,0]=4 791 B16R2.22833 NC(=O)CSc1n[nH]c2c1cccc2Cl 62a_100000747473_100000050086 [0,1,0,0,0,1|2,0,0]=4 792 B16R2.22833 NC(=O)CSc1n[nH]c2c1cccc2F 62a_100000747473_100010231504 [0,1,0,0,0,1|2,0,0]=4 793 B16R2.22833 NC(=O)CSc1n[nH]c2c1cccc2N 62a_100000747473_100009888981 [0,1,0,0,0,1|2,0,0]=4 794 B16R2.22833 NC(=O)CSc1n[nH]c2c1cccc2O 62a_100000747473_200010988877 [0,1,0,0,0,1|2,0,0]=4 795 B16R2.22833 Nc1cccc2c1[nH]nc2SCC(=O)[O-] 62a_100020667443_100009888981 [0,1,0,0,0,1|1,0,1]=4 796 B16R2.22833 O=C([O-])CSc1c[nH]c2c1nccc2Cl 62a_100020667443_100010168581 [0,1,0,0,0,1|1,0,1]=4 797 B16R2.22833 O=C([O-])CSc1n[nH]c2c1cccc2Br 62a_100020667443_100010197283 [0,1,0,0,0,1|1,0,1]=4 798 B16R2.22833 O=C([O-])CSc1n[nH]c2c1cccc2Cl 62a_100020667443_100000050086 [0,1,0,0,0,1|1,0,1]=4 799 B16R2.22833 O=C([O-])CSc1n[nH]c2c1cccc2F 62a_100020667443_100010231504 [0,1,0,0,0,1|1,0,1]=4 800 B16R2.22833 O=C([O-])CSc1n[nH]c2c1cccc2O 62a_100020667443_200010988877 [0,1,0,0,0,1|1,0,1]=4 801 B16R2.22904 Cc1cccc2c1c(n[nH]2)SCC(=O)N 62a_100000747473_100000049903 [0,1,0,0,0,1|2,0,0]=4 802 B16R2.22904 Cc1cccc2c1c(n[nH]2)SCC(=O)[O-] 62a_100020667443_100000049903 [0,1,0,0,0,1|1,0,1]=4 803 B16R2.22904 NC(=O)CSc1c[nH]c2c1c(ccn2)Br 62a_100000747473_100010212587 [0,1,0,0,0,1|2,0,0]=4 804 B16R2.22904 NC(=O)CSc1c[nH]c2c1c(ccn2)Br 62a_100010212587_100000747473 [0,1,0,0,0,1|2,0,0]=4 805 B16R2.22904 NC(=O)CSc1c[nH]c2c1c(ccn2)Cl 62a_100000747473_100011356983 [0,1,0,0,0,1|2,0,0]=4 806 B16R2.22904 NC(=O)CSc1c[nH]c2c1c(ccn2)F 62a_100000747473_100010168365 [0,1,0,0,0,1|2,0,0]=4 807 B16R2.22904 NC(=O)CSc1n[nH]c2c1c(ccc2)Br 62a_100000747473_100010186043 [0,1,0,0,0,1|2,0,0]=4 808 B16R2.22904 NC(=O)CSc1n[nH]c2c1c(ccc2)Cl 62a_100000747473_100000049730 [0,1,0,0,0,1|2,0,0]=4 809 B16R2.22904 NC(=O)CSc1n[nH]c2c1c(ccc2)F 62a_100000747473_100000049989 [0,1,0,0,0,1|2,0,0]=4 810 B16R2.22904 NC(=O)CSc1n[nH]c2c1c(ccc2)N 62a_100000747473_100010186038 [0,1,0,0,0,1|2,0,0]=4 811 B16R2.22904 Nc1cccc2c1c(n[nH]2)SCC(=O)[O-] 62a_100020667443_100010186038 [0,1,0,0,0,1|1,0,1]=4 812 B16R2.22904 O=C([O-])CSc1c[nH]c2c1c(ccn2)Br 62a_100010212587_100020667443 [0,1,0,0,0,1|1,0,1]=4 813 B16R2.22904 O=C([O-])CSc1c[nH]c2c1c(ccn2)Br 62a_100020667443_100010212587 [0,1,0,0,0,1|1,0,1]=4 814 B16R2.22904 O=C([O-])CSc1c[nH]c2c1c(ccn2)Cl 62a_100020667443_100011356983 [0,1,0,0,0,1|1,0,1]=4 815 B16R2.22904 O=C([O-])CSc1c[nH]c2c1c(ccn2)F 62a_100020667443_100010168365 [0,1,0,0,0,1|1,0,1]=4 816 B16R2.22904 O=C([O-])CSc1n[nH]c2c1c(ccc2)Br 62a_100020667443_100010186043 [0,1,0,0,0,1|1,0,1]=4 817 B16R2.22904 O=C([O-])CSc1n[nH]c2c1c(ccc2)Cl 62a_100020667443_100000049730 [0,1,0,0,0,1|1,0,1]=4 818 B16R2.22904 O=C([O-])CSc1n[nH]c2c1c(ccc2)F 62a_100020667443_100000049989 [0,1,0,0,0,1|1,0,1]=4 819 B16R2.104522 CC(=O)CCc1cn(c2c1cccc2)C 1458a_100000686839_200000210301 [0,1,0,0,0,1|1,0,0]=3 820 B16R2.104522 CC(=O)NCc1cn(c2c1cccc2)C 11a_100011997738_100015343762 [0,1,0,0,0,1|1,0,0]=3 821 B16R2.104522 CC(=O)NCc1cn(c2c1cccc2)C 1626a_100011997738_100015343762 [0,1,0,0,0,1|1,0,0]=3 822 B16R2.104522 CC(=O)NCc1cn(c2c1cccc2)C 240690a_100011997738_100015343762 [0,1,0,0,0,1|1,0,0]=3 823 B16R2.104522 CC(=O)NCc1cn(c2c1cccc2)C 527a_100011997738_100103153847 [0,1,0,0,0,1|1,0,0]=3 824 B16R2.104522 CC(=O)NCc1nn(c2c1cccc2)C 11a_200011934655_100015343762 [0,1,0,0,0,1|2,0,0]=4 825 B16R2.104522 CC(=O)NCc1nn(c2c1cccc2)C 1626a_200011934655_100015343762 [0,1,0,0,0,1|2,0,0]=4 826 B16R2.104522 CC(=O)NCc1nn(c2c1cccc2)C 240690a_200011934655_100015343762 [0,1,0,0,0,1|2,0,0]=4 827 B16R2.104522 CC(=O)NCc1nn(c2c1cccc2)C 527a_200011934655_100103153847 [0,1,0,0,0,1|2,0,0]=4 828 B16R2.104522 Cn1cc(c2c1cccc2)CCC(=O)[13CH3] 1458a_100000686839_200025704644 [0,1,0,0,0,1|1,0,0]=3 829 B16R2.104522 Cn1cc(c2c1nccc2)SCC(=O)N 62a_100000747473_100010205794 [0,1,0,0,0,1|2,0,0]=4 830 B16R2.104522 Cn1cc(c2c1nccc2)SCC(=O)[O-] 62a_100020667443_100010205794 [0,1,0,0,0,1|1,0,1]=4 831 B16R2.104522 Cn1nc(c2c1cccc2)SCC(=O)N 62a_100000747473_100009817141 [0,1,0,0,0,1|2,0,0]=4 832 B16R2.104522 Cn1nc(c2c1cccc2)SCC(=O)N 62a_100009817141_100000747473 [0,1,0,0,0,1|2,0,0]=4 833 B16R2.104522 Cn1nc(c2c1cccc2)SCC(=O)[O-] 62a_100009817141_100020667443 [0,1,0,0,0,1|1,0,1]=4 834 B16R2.104522 Cn1nc(c2c1cccc2)SCC(=O)[O-] 62a_100020667443_100009817141 [0,1,0,0,0,1|1,0,1]=4 835 B16R2.3989 CC(=O)CC1Oc2ccccc2NC1=O 1458a_100000016180_200000210301 [0,1,0,0,0,1|1,0,1]=4 836 B16R2.3989 CC(=O)CC1Sc2ccccc2NC1=O 1458a_100000010723_200000210301 [0,1,0,0,0,1|1,0,1]=4 837 B16R2.3989 CC(=O)Cc1cc2ccccc2nc1Cl 1458a_100000070787_100000189640 [0,1,0,0,0,1|1,0,1]=4 838 B16R2.3989 CC(=O)Cc1nc2ccccc2[nH]c1=O 1458a_100000070787_100000736137 [0,1,0,0,0,1|1,0,0]=3 839 B16R2.3989 [13CH3]C(=O)CC1Oc2ccccc2NC1=O 1458a_100000016180_200025704644 [0,1,0,0,0,1|1,0,1]=4 840 B16R2.3989 [13CH3]C(=O)CC1Sc2ccccc2NC1=O 1458a_100000010723_200025704644 [0,1,0,0,0,1|1,0,1]=4 841 B16R2.5347 C#CC(=O)Cc1ccc2ccccc2c1 1458a_100000211873_100011216711 [0,1,0,0,0,1|2,0,0]=4 842 B16R2.5347 C#CC(=O)Cc1ccc2ccccc2n1 1458a_100000211873_100000737579 [0,1,0,0,0,1|2,0,0]=4 843 B16R2.5347 C#CC(=O)Cc1cnc2ccccc2n1 1458a_100000211873_200000751123 [0,1,0,0,0,1|1,0,1]=4 844 B16R2.5347 C=CC(=O)Cc1ccc2ccccc2c1 1458a_100000185746_100011216711 [0,1,0,0,0,1|2,0,0]=4 845 B16R2.5347 C=CC(=O)Cc1ccc2ccccc2n1 1458a_100000185746_100000737579 [0,1,0,0,0,1|2,0,0]=4 846 B16R2.5347 C=CC(=O)Cc1cnc2ccccc2n1 1458a_100000185746_200000751123 [0,1,0,0,0,1|1,0,1]=4 847 B16R2.5347 CCC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000210202 [0,1,0,0,0,1|2,0,0]=4 848 B16R2.5347 CCC(=O)Cc1ccc2ccccc2c1 1458a_100000210414_100011216711 [0,1,0,0,0,1|2,0,0]=4 849 B16R2.5347 CCC(=O)Cc1ccc2ccccc2n1 1458a_100000210414_100000737579 [0,1,0,0,0,1|2,0,0]=4 850 B16R2.5347 CCC(=O)Cc1cnc2ccccc2n1 1458a_100000210414_200000751123 [0,1,0,0,0,1|1,0,1]=4 851 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 11a_106832991635_100000181716 [0,1,0,0,0,1|2,0,0]=4 852 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 1626a_100102657272_100000181716 [0,1,0,0,0,1|2,0,0]=4 853 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 240690a_100102657272_100000181716 [0,1,0,0,0,1|2,0,0]=4 854 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 527a_100102657272_100000181716 [0,1,0,0,0,1|2,0,0]=4 855 B16R2.5347 O=C(CF)Cc1ccc2ccccc2c1 1458a_100000181716_100015361967 [0,1,0,0,0,1|2,0,0]=4 856 B16R2.5347 O=C(CO)Cc1cc2ccccc2cn1 1458a_100000210174_100009869231 [0,1,0,0,0,1|2,0,0]=4 857 B16R2.5347 O=C(CO)Cc1ccc2ccccc2c1 1458a_100000210174_100011216711 [0,1,0,0,0,1|1,0,0]=3 858 B16R2.5347 O=C(CO)Cc1ccc2ccccc2n1 1458a_100000210174_100000737579 [0,1,0,0,0,1|1,0,0]=3 859 B16R2.5347 O=C(CO)Cc1ccc2cnccc2c1 1458a_100000210174_100020605334 [0,1,0,0,0,1|2,0,0]=4 860 B16R2.5347 O=C(CO)Cc1ccc2ncccc2c1 1458a_100000210174_100000703657 [0,1,0,0,0,1|2,0,0]=4 861 B16R2.5347 O=C(CO)Cc1cnc2ccccc2n1 1458a_100000210174_200000751123 [0,1,0,0,0,1|0,0,1]=3 862 B16R2.5347 O=C(CO)Cc1ncc2ccccc2n1 1458a_100000210174_100009868571 [0,1,0,0,0,1|2,0,0]=4 863 B16R2.5347 O=C(CO)Nc1ccc2ccccc2c1 22a_100000211940_100000210174 [0,1,0,0,0,1|2,0,0]=4 864 B16R2.5347 O=C(CO)Nc1ccc2ccccc2c1 527a_100000211940_100000210174 [0,1,0,0,0,1|2,0,0]=4 865 B16R2.11975 CC(=O)Cc1ccc2ccc(cc2n1)Cl 1458a_100000070787_100010196396 [0,1,0,0,0,1|2,0,0]=4 866 B16R2.11988 CC(=O)Cc1ccc2cc(ccc2c1)Br 1458a_100000070787_100012356510 [0,1,0,0,0,1|2,0,0]=4 867 B16R2.11988 CC(=O)Cc1ccc2cc(ccc2n1)C 1458a_100000070787_100009884411 [0,1,0,0,0,1|2,0,0]=4 868 B16R2.83538 CC(=O)Cc1ccc2ccccc2c1Br 1458a_100000070787_100009813938 [0,1,0,0,0,1|2,0,0]=4 869 B16R2.333 CC(=O)Cc1c(ccc2c1cccc2)C 1458a_100000070787_100000689653 [0,1,0,0,0,1|2,0,0]=4 870 B16R2.3995 CC(=O)Cc1cc(nc2c1cccc2)C 1458a_100000070787_100000755639 [0,1,0,0,0,1|1,0,1]=4 871 B16R2.3995 CC(=O)Cc1cc(nc2c1cccc2)Cl 1458a_100000070787_200010137201 [0,1,0,0,0,1|1,0,1]=4 872 B16R2.3995 CC(=O)Cc1cc(nc2c1cccc2)O 1458a_100000070787_100000187625 [0,1,0,0,0,1|1,0,1]=4 873 B16R2.24414 CC(=O)Cc1ccc(c2c1cccc2)Br 1458a_100000070787_100012352185 [0,1,0,0,0,1|2,0,0]=4 874 B16R2.24414 CC(=O)Cc1ccc(c2c1cccc2)C 1458a_100000070787_100012073487 [0,1,0,0,0,1|2,0,0]=4 875 B16R2.24414 CC(=O)Cc1ccc(c2c1cccc2)F 1458a_100000070787_100011988723 [0,1,0,0,0,1|2,0,0]=4 876 B16R2.24414 CC(=O)Cc1n[nH]c(=O)c2c1cccc2 1458a_100000010072_200000210301 [0,1,0,0,0,1|2,0,0]=4 877 B16R2.24414 [13CH3]C(=O)Cc1n[nH]c(=O)c2c1cccc2 1458a_100000010072_200025704644 [0,1,0,0,0,1|2,0,0]=4 878 B16R2.170412 C#CC(=O)Cc1cccc2c1cccc2 1458a_100000211873_100000188474 [0,1,0,0,0,1|2,0,0]=4 879 B16R2.170412 C#CC(=O)Cc1ccnc2c1cccc2 1458a_100000211873_100015192512 [0,1,0,0,0,1|1,0,1]=4 880 B16R2.170412 C#CC(=O)Cc1nccc2c1cccc2 1458a_100000211873_100000033776 [0,1,0,0,0,1|2,0,0]=4 881 B16R2.170412 C=CC(=O)Cc1cccc2c1cccc2 1458a_100000185746_100000188474 [0,1,0,0,0,1|2,0,0]=4 882 B16R2.170412 C=CC(=O)Cc1ccnc2c1cccc2 1458a_100000185746_100015192512 [0,1,0,0,0,1|1,0,1]=4 883 B16R2.170412 C=CC(=O)Cc1nccc2c1cccc2 1458a_100000185746_100000033776 [0,1,0,0,0,1|2,0,0]=4 884 B16R2.170412 CCC(=O)Cc1cccc2c1cccc2 1458a_100000186155_100000210202 [0,1,0,0,0,1|2,0,0]=4 885 B16R2.170412 CCC(=O)Cc1cccc2c1cccc2 1458a_100000210414_100000188474 [0,1,0,0,0,1|2,0,0]=4 886 B16R2.170412 CCC(=O)Cc1ccnc2c1cccc2 1458a_100000210414_100015192512 [0,1,0,0,0,1|1,0,1]=4 887 B16R2.170412 CCC(=O)Cc1nccc2c1cccc2 1458a_100000210414_100000033776 [0,1,0,0,0,1|2,0,0]=4 888 B16R2.170412 CNC(=O)Cc1cccc2c1cccc2 11a_106832991635_100000186155 [0,1,0,0,0,1|2,0,0]=4 889 B16R2.170412 CNC(=O)Cc1cccc2c1cccc2 1626a_100102657272_100000186155 [0,1,0,0,0,1|2,0,0]=4 890 B16R2.170412 CNC(=O)Cc1cccc2c1cccc2 240690a_100102657272_100000186155 [0,1,0,0,0,1|2,0,0]=4 891 B16R2.170412 CNC(=O)Cc1cccc2c1cccc2 527a_100102657272_100000186155 [0,1,0,0,0,1|2,0,0]=4 892 B16R2.170412 O=C(CF)Cc1cccc2c1cccc2 1458a_100000186155_100015361967 [0,1,0,0,0,1|2,0,0]=4 893 B16R2.170412 O=C(CO)Cc1cccc2c1cccc2 1458a_100000210174_100000188474 [0,1,0,0,0,1|1,0,0]=3 894 B16R2.170412 O=C(CO)Cc1cccc2c1ccnc2 1458a_100000210174_100016989825 [0,1,0,0,0,1|2,0,0]=4 895 B16R2.170412 O=C(CO)Cc1cccc2c1nccc2 1458a_100000210174_100000241032 [0,1,0,0,0,1|2,0,0]=4 896 B16R2.170412 O=C(CO)Cc1ccnc2c1cccc2 1458a_100000210174_100015192512 [0,1,0,0,0,1|0,0,1]=3 897 B16R2.170412 O=C(CO)Cc1nccc2c1cccc2 1458a_100000210174_100000033776 [0,1,0,0,0,1|1,0,0]=3 898 B16R2.170412 O=C(CO)Nc1cccc2c1cccc2 22a_100000185869_100000210174 [0,1,0,0,0,1|2,0,0]=4 899 B16R2.4 CN[C@@H](CO)Cc1c[nH]c2c1cccc2 2230a_100102526151_200000210301 [0,2,0,0,0,0|1,0,1]=4 900 B16R2.4 [13CH3]N[C@@H](CO)Cc1c[nH]c2c1cccc2 2230a_100102526151_200025704644 [0,2,0,0,0,0|1,0,1]=4 901 B16R2.5 C#CCC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000184674 [0,2,0,0,0,0|1,0,0]=3 902 B16R2.5 C#CCC(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_100000184674 [0,2,0,0,0,0|2,0,0]=4 903 B16R2.5 C#CCC(=O)Cc1coc2c1cccc2 1458a_100000217546_100000184674 [0,2,0,0,0,0|2,0,0]=4 904 B16R2.5 C#CCC(=O)Cc1csc2c1cccc2 1458a_100000741031_100000184674 [0,2,0,0,0,0|2,0,0]=4 905 B16R2.5 C#CCC(=O)Cc1csc2c1cccc2 1458a_100011220946_200000742921 [0,2,0,0,0,0|2,0,0]=4 906 B16R2.5 C#CCC(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_100000184674 [0,2,0,0,0,0|2,0,0]=4 907 B16R2.5 C=CCC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000210623 [0,2,0,0,0,0|1,0,0]=3 908 B16R2.5 C=CCC(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_100000210623 [0,2,0,0,0,0|2,0,0]=4 909 B16R2.5 C=CCC(=O)Cc1coc2c1cccc2 1458a_100000217546_100000210623 [0,2,0,0,0,0|2,0,0]=4 910 B16R2.5 C=CCC(=O)Cc1csc2c1cccc2 1458a_100000210193_200000742921 [0,2,0,0,0,0|2,0,0]=4 911 B16R2.5 C=CCC(=O)Cc1csc2c1cccc2 1458a_100000741031_100000210623 [0,2,0,0,0,0|2,0,0]=4 912 B16R2.5 C=CCC(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_100000210623 [0,2,0,0,0,0|2,0,0]=4 913 B16R2.5 CC#CC(=O)Cc1csc2c1cccc2 1458a_100000763181_200000742921 [0,2,0,0,0,0|2,0,0]=4 914 B16R2.5 CC=CC(=O)Cc1csc2c1cccc2 1458a_100000210699_200000742921 [0,2,0,0,0,0|2,0,0]=4 915 B16R2.5 CCCC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000210303 [0,2,0,0,0,0|1,0,0]=3 916 B16R2.5 CCCC(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_100000210303 [0,2,0,0,0,0|2,0,0]=4 917 B16R2.5 CCCC(=O)Cc1coc2c1cccc2 1458a_100000217546_100000210303 [0,2,0,0,0,0|2,0,0]=4 918 B16R2.5 CCCC(=O)Cc1csc2c1cccc2 1458a_100000211992_200000742921 [0,2,0,0,0,0|2,0,0]=4 919 B16R2.5 CCCC(=O)Cc1csc2c1cccc2 1458a_100000741031_100000210303 [0,2,0,0,0,0|2,0,0]=4 920 B16R2.5 CCCC(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_100000210303 [0,2,0,0,0,0|2,0,0]=4 921 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 11a_100015525214_100000183835 [0,2,0,0,0,0|1,0,0]=3 922 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 240690a_100015525214_100000183835 [0,2,0,0,0,0|1,0,0]=3 923 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 527a_100015525214_100000183835 [0,2,0,0,0,0|1,0,0]=3 924 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccn2 11a_100015525214_100000687015 [0,2,0,0,0,0|2,0,0]=4 925 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccn2 240690a_100015525214_100000687015 [0,2,0,0,0,0|2,0,0]=4 926 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccn2 527a_100015525214_100000687015 [0,2,0,0,0,0|2,0,0]=4 927 B16R2.5 CCNC(=O)Cc1coc2c1cccc2 11a_100015525214_100000217546 [0,2,0,0,0,0|2,0,0]=4 928 B16R2.5 CCNC(=O)Cc1coc2c1cccc2 240690a_100015525214_100000217546 [0,2,0,0,0,0|2,0,0]=4 929 B16R2.5 CCNC(=O)Cc1coc2c1cccc2 527a_100015525214_100000217546 [0,2,0,0,0,0|2,0,0]=4 930 B16R2.5 CCNC(=O)Cc1csc2c1cccc2 11a_100015525214_100000741031 [0,2,0,0,0,0|2,0,0]=4 931 B16R2.5 CCNC(=O)Cc1csc2c1cccc2 240690a_100015525214_100000741031 [0,2,0,0,0,0|2,0,0]=4 932 B16R2.5 CCNC(=O)Cc1csc2c1cccc2 527a_100015525214_100000741031 [0,2,0,0,0,0|2,0,0]=4 933 B16R2.5 CCNC(=O)Cc1n[nH]c2c1cccc2 240690a_100015525214_100000044345 [0,2,0,0,0,0|2,0,0]=4 934 B16R2.5 CCNC(=O)Cc1n[nH]c2c1cccc2 527a_100015525214_100000044345 [0,2,0,0,0,0|2,0,0]=4 935 B16R2.5 CNNC(=O)Cc1c[nH]c2c1cccc2 22a_100016993582_100000183835 [0,2,0,0,0,0|1,0,0]=3 936 B16R2.5 CNNC(=O)Cc1c[nH]c2c1cccn2 22a_100016993582_100000687015 [0,2,0,0,0,0|2,0,0]=4 937 B16R2.5 CNNC(=O)Cc1coc2c1cccc2 22a_100016993582_100000217546 [0,2,0,0,0,0|2,0,0]=4 938 B16R2.5 CNNC(=O)Cc1csc2c1cccc2 22a_100016993582_100000741031 [0,2,0,0,0,0|2,0,0]=4 939 B16R2.5 CNNC(=O)Cc1n[nH]c2c1cccc2 22a_100016993582_100000044345 [0,2,0,0,0,0|2,0,0]=4 940 B16R2.5 COCC(=O)Cc1csc2c1cccc2 1458a_100000210968_200000742921 [0,2,0,0,0,0|1,0,0]=3 941 B16R2.5 COCC(=O)Cc1noc2c1cccc2 1458a_100000210968_100009813815 [0,2,0,0,0,0|2,0,0]=4 942 B16R2.5 CSCC(=O)Cc1csc2c1cccc2 1458a_100000184570_200000742921 [0,2,0,0,0,0|1,1,0]=4 943 B16R2.5 N#CCC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100011214920 [0,2,0,0,0,0|1,0,0]=3 944 B16R2.5 N#CCC(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_100011214920 [0,2,0,0,0,0|2,0,0]=4 945 B16R2.5 N#CCC(=O)Cc1coc2c1cccc2 1458a_100000217546_100011214920 [0,2,0,0,0,0|2,0,0]=4 946 B16R2.5 N#CCC(=O)Cc1csc2c1cccc2 1458a_100000741031_100011214920 [0,2,0,0,0,0|2,0,0]=4 947 B16R2.5 N#CCC(=O)Cc1csc2c1cccc2 1458a_100051588842_200000742921 [0,2,0,0,0,0|2,0,0]=4 948 B16R2.5 N#CCC(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_100011214920 [0,2,0,0,0,0|2,0,0]=4 949 B16R2.5 O=C(C=CBr)Cc1csc2c1cccc2 1458a_100016273825_200000742921 [0,2,0,0,0,0|2,0,0]=4 950 B16R2.5 O=C(C=CCl)Cc1csc2c1cccc2 1458a_200016279998_200000742921 [0,2,0,0,0,0|2,0,0]=4 951 B16R2.5 O=C(C=CI)Cc1csc2c1cccc2 1458a_100016256311_200000742921 [0,2,0,0,0,0|2,0,0]=4 952 B16R2.5 O=C(CCF)Cc1c[nH]c2c1cccc2 1458a_100000183835_100011217306 [0,2,0,0,0,0|1,0,0]=3 953 B16R2.5 O=C(CCF)Cc1c[nH]c2c1cccn2 1458a_100000687015_100011217306 [0,2,0,0,0,0|2,0,0]=4 954 B16R2.5 O=C(CCF)Cc1coc2c1cccc2 1458a_100000217546_100011217306 [0,2,0,0,0,0|2,0,0]=4 955 B16R2.5 O=C(CCF)Cc1csc2c1cccc2 1458a_100000741031_100011217306 [0,2,0,0,0,0|2,0,0]=4 956 B16R2.5 O=C(CCF)Cc1n[nH]c2c1cccc2 1458a_100000044345_100011217306 [0,2,0,0,0,0|2,0,0]=4 957 B16R2.5 O=C(CCO)C[n+]1csc2c1cccc2 1458a_100009813389_100000211926 [0,2,0,0,0,0|2,0,0]=4 958 B16R2.5 O=C(CCO)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000211926 [0,2,0,0,0,0|0,0,0]=2 959 B16R2.5 O=C(CCO)Cc1c[nH]c2c1cccn2 1458a_100000687015_100000211926 [0,2,0,0,0,0|1,0,0]=3 960 B16R2.5 O=C(CCO)Cc1cnc2n1cccc2 1458a_100000070654_100000211926 [0,2,0,0,0,0|1,0,1]=4 961 B16R2.5 O=C(CCO)Cc1coc2c1cccc2 1458a_100000217546_100000211926 [0,2,0,0,0,0|1,0,0]=3 962 B16R2.5 O=C(CCO)Cc1csc2c1cccc2 1458a_100000741031_100000211926 [0,2,0,0,0,0|1,0,0]=3 963 B16R2.5 O=C(CCO)Cc1csc2c1cccc2 1458a_100011216618_200000742921 [0,2,0,0,0,0|1,0,0]=3 964 B16R2.5 O=C(CCO)Cc1n[nH]c2c1cccc2 1458a_100000044345_100000211926 [0,2,0,0,0,0|1,0,0]=3 965 B16R2.5 O=C(CCO)Cc1noc2c1cccc2 1458a_100000205995_100000211926 [0,2,0,0,0,0|2,0,0]=4 966 B16R2.5 O=C(CCO)Cc1noc2c1cccc2 1458a_100011216618_100009813815 [0,2,0,0,0,0|2,0,0]=4 967 B16R2.5 O=C(CCO)Cn1ccc2c1cccc2 1458a_100000743657_100000211926 [0,2,0,0,0,0|2,0,0]=4 968 B16R2.5 O=C(CCO)Cn1cnc2c1cccc2 1458a_100025771165_100000211926 [0,2,0,0,0,0|1,0,1]=4 969 B16R2.140 CCC(=O)Cc1c[nH]c2c1cccc2Br 1458a_100010219219_100000210202 [0,2,0,0,0,0|1,0,0]=3 970 B16R2.140 CCC(=O)Cc1c[nH]c2c1cccc2C 1458a_200000049093_100000210202 [0,2,0,0,0,0|1,0,0]=3 971 B16R2.140 CCC(=O)Cc1c[nH]c2c1cccc2Cl 1458a_100012356222_100000210202 [0,2,0,0,0,0|1,0,0]=3 972 B16R2.140 CNC(=O)Cc1c[nH]c2c1cccc2Br 11a_106832991635_100010219219 [0,2,0,0,0,0|1,0,0]=3 973 B16R2.140 CNC(=O)Cc1c[nH]c2c1cccc2Br 240690a_100102657272_100010219219 [0,2,0,0,0,0|1,0,0]=3 974 B16R2.140 CNC(=O)Cc1c[nH]c2c1cccc2Br 527a_100102657272_100010219219 [0,2,0,0,0,0|1,0,0]=3 975 B16R2.140 CNC(=O)Cc1c[nH]c2c1cccc2C 11a_106832991635_200000049093 [0,2,0,0,0,0|1,0,0]=3 976 B16R2.140 CNC(=O)Cc1c[nH]c2c1cccc2C 240690a_100102657272_200000049093 [0,2,0,0,0,0|1,0,0]=3 977 B16R2.140 CNC(=O)Cc1c[nH]c2c1cccc2C 527a_100102657272_200000049093 [0,2,0,0,0,0|1,0,0]=3 978 B16R2.140 CNC(=O)Cc1c[nH]c2c1cccc2Cl 11a_106832991635_100012356222 [0,2,0,0,0,0|1,0,0]=3 979 B16R2.140 CNC(=O)Cc1c[nH]c2c1cccc2Cl 240690a_100102657272_100012356222 [0,2,0,0,0,0|1,0,0]=3 980 B16R2.140 CNC(=O)Cc1c[nH]c2c1cccc2Cl 527a_100102657272_100012356222 [0,2,0,0,0,0|1,0,0]=3 981 B16R2.140 Cc1cccc2c1[nH]cc2CC(=O)CF 1458a_200000049093_100015361967 [0,2,0,0,0,0|1,0,0]=3 982 B16R2.140 O=C(CF)Cc1c[nH]c2c1cccc2Br 1458a_100010219219_100015361967 [0,2,0,0,0,0|1,0,0]=3 983 B16R2.140 O=C(CF)Cc1c[nH]c2c1cccc2Cl 1458a_100012356222_100015361967 [0,2,0,0,0,0|1,0,0]=3 984 B16R2.33556 CCC(=O)Cc1cn(c2c1cccc2)C 1458a_100011218532_100000210202 [0,2,0,0,0,0|1,0,0]=3 985 B16R2.33556 CNC(=O)Cc1cn(c2c1cccc2)C 11a_106832991635_100011218532 [0,2,0,0,0,0|1,0,0]=3 986 B16R2.33556 CNC(=O)Cc1cn(c2c1cccc2)C 1626a_100102657272_100011218532 [0,2,0,0,0,0|1,0,0]=3 987 B16R2.33556 CNC(=O)Cc1cn(c2c1cccc2)C 240690a_100102657272_100011218532 [0,2,0,0,0,0|1,0,0]=3 988 B16R2.33556 CNC(=O)Cc1cn(c2c1cccc2)C 527a_100102657272_100011218532 [0,2,0,0,0,0|1,0,0]=3 989 B16R2.33556 Cn1cc(c2c1cccc2)CC(=O)CF 1458a_100011218532_100015361967 [0,2,0,0,0,0|1,0,0]=3 990 B16R2.33562 CCC(=O)Cc1c([nH]c2c1cccc2)C 1458a_100000737320_100000210202 [0,2,0,0,0,0|1,0,0]=3 991 B16R2.33562 CNC(=O)CC1C(=O)Nc2c1cccc2 527a_100102657272_100000747281 [0,2,0,0,0,0|1,0,1]=4 992 B16R2.33562 CNC(=O)Cc1c([nH]c2c1cccc2)C 11a_106832991635_100000737320 [0,2,0,0,0,0|1,0,0]=3 993 B16R2.33562 CNC(=O)Cc1c([nH]c2c1cccc2)C 240690a_100102657272_100000737320 [0,2,0,0,0,0|1,0,0]=3 994 B16R2.33562 CNC(=O)Cc1c([nH]c2c1cccc2)C 527a_100102657272_100000737320 [0,2,0,0,0,0|1,0,0]=3 995 B16R2.33562 Cc1[nH]c2ccccc2c1CC(=O)CF 1458a_100000737320_100015361967 [0,2,0,0,0,0|1,0,0]=3 996 B16R2.33562 O=C(CO)Cn1c(=S)sc2c1cccc2 1458a_100000210174_200000011012 [0,2,0,0,0,0|2,0,0]=4 997 B16R2.33562 O=C(CO)NC1C(=O)Nc2c1cccc2 240690a_200000746459_100000210174 [0,2,0,0,0,0|1,0,1]=4 998 B16R2.34357 CCC(=O)Cc1c[nH]c2c1ccc(c2)Br 1458a_100000689255_100000210202 [0,2,0,0,0,0|1,0,0]=3 999 B16R2.34357 CCC(=O)Cc1c[nH]c2c1ccc(c2)Cl 1458a_100000747776_100000210202 [0,2,0,0,0,0|1,0,0]=3 1000 B16R2.34357 CCC(=O)Cc1c[nH]c2c1ccc(c2)F 1458a_100102524959_100000210202 [0,2,0,0,0,0|1,0,0]=3 1001 B16R2.34357 CCC(=O)Cc1coc2c1ccc(c2)O 1458a_100000010777_100000210202 [0,2,0,0,0,0|2,0,0]=4 1002 B16R2.34357 CNC(=O)Cc1c[nH]c2c1ccc(c2)Br 11a_106832991635_100000689255 [0,2,0,0,0,0|1,0,0]=3 1003 B16R2.34357 CNC(=O)Cc1c[nH]c2c1ccc(c2)Br 240690a_100102657272_100000689255 [0,2,0,0,0,0|1,0,0]=3 1004 B16R2.34357 CNC(=O)Cc1c[nH]c2c1ccc(c2)Br 527a_100102657272_100000689255 [0,2,0,0,0,0|1,0,0]=3 1005 B16R2.34357 CNC(=O)Cc1c[nH]c2c1ccc(c2)Cl 11a_106832991635_100000747776 [0,2,0,0,0,0|1,0,0]=3 1006 B16R2.34357 CNC(=O)Cc1c[nH]c2c1ccc(c2)Cl 1626a_100102657272_100000747776 [0,2,0,0,0,0|1,0,0]=3 1007 B16R2.34357 CNC(=O)Cc1c[nH]c2c1ccc(c2)Cl 240690a_100102657272_100000747776 [0,2,0,0,0,0|1,0,0]=3 1008 B16R2.34357 CNC(=O)Cc1c[nH]c2c1ccc(c2)Cl 527a_100102657272_100000747776 [0,2,0,0,0,0|1,0,0]=3 1009 B16R2.34357 CNC(=O)Cc1c[nH]c2c1ccc(c2)F 11a_106832991635_100102524959 [0,2,0,0,0,0|1,0,0]=3 1010 B16R2.34357 CNC(=O)Cc1c[nH]c2c1ccc(c2)F 1626a_100102657272_100102524959 [0,2,0,0,0,0|1,0,0]=3 1011 B16R2.34357 CNC(=O)Cc1c[nH]c2c1ccc(c2)F 240690a_100102657272_100102524959 [0,2,0,0,0,0|1,0,0]=3 1012 B16R2.34357 CNC(=O)Cc1c[nH]c2c1ccc(c2)F 527a_100102657272_100102524959 [0,2,0,0,0,0|1,0,0]=3 1013 B16R2.34357 CNC(=O)Cc1coc2c1ccc(c2)O 240690a_100102657272_100000010777 [0,2,0,0,0,0|2,0,0]=4 1014 B16R2.34357 COC(=O)Cc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100010364033 [0,2,0,0,0,0|0,0,0]=2 1015 B16R2.34357 O=C(CF)Cc1c[nH]c2c1ccc(c2)Br 1458a_100000689255_100015361967 [0,2,0,0,0,0|1,0,0]=3 1016 B16R2.34357 O=C(CF)Cc1c[nH]c2c1ccc(c2)Cl 1458a_100000747776_100015361967 [0,2,0,0,0,0|1,0,0]=3 1017 B16R2.34357 O=C(CF)Cc1c[nH]c2c1ccc(c2)F 1458a_100102524959_100015361967 [0,2,0,0,0,0|1,0,0]=3 1018 B16R2.34357 O=C(CF)Cc1coc2c1ccc(c2)O 1458a_100000010777_100015361967 [0,2,0,0,0,0|2,0,0]=4 1019 B16R2.176317 CCC(=O)Cc1c[nH]c2c1c(ccc2)Br 1458a_100000692793_100000210202 [0,2,0,0,0,0|1,0,0]=3 1020 B16R2.176317 CCC(=O)Cc1c[nH]c2c1c(ccc2)C 1458a_100102558282_100000210202 [0,2,0,0,0,0|1,0,0]=3 1021 B16R2.176317 CCC(=O)Cc1c[nH]c2c1c(ccc2)Cl 1458a_100012339537_100000210202 [0,2,0,0,0,0|1,0,0]=3 1022 B16R2.176317 CCC(=O)Cc1c[nH]c2c1c(ccc2)F 1458a_100011997205_100000210202 [0,2,0,0,0,0|1,0,0]=3 1023 B16R2.176317 CNC(=O)Cc1c[nH]c2c1c(ccc2)Br 11a_106832991635_100000692793 [0,2,0,0,0,0|1,0,0]=3 1024 B16R2.176317 CNC(=O)Cc1c[nH]c2c1c(ccc2)Br 240690a_100102657272_100000692793 [0,2,0,0,0,0|1,0,0]=3 1025 B16R2.176317 CNC(=O)Cc1c[nH]c2c1c(ccc2)Br 527a_100102657272_100000692793 [0,2,0,0,0,0|1,0,0]=3 1026 B16R2.176317 CNC(=O)Cc1c[nH]c2c1c(ccc2)C 11a_106832991635_100102558282 [0,2,0,0,0,0|1,0,0]=3 1027 B16R2.176317 CNC(=O)Cc1c[nH]c2c1c(ccc2)C 527a_100102657272_100102558282 [0,2,0,0,0,0|1,0,0]=3 1028 B16R2.176317 CNC(=O)Cc1c[nH]c2c1c(ccc2)Cl 11a_106832991635_100012339537 [0,2,0,0,0,0|1,0,0]=3 1029 B16R2.176317 CNC(=O)Cc1c[nH]c2c1c(ccc2)Cl 240690a_100102657272_100012339537 [0,2,0,0,0,0|1,0,0]=3 1030 B16R2.176317 CNC(=O)Cc1c[nH]c2c1c(ccc2)Cl 527a_100102657272_100012339537 [0,2,0,0,0,0|1,0,0]=3 1031 B16R2.176317 CNC(=O)Cc1c[nH]c2c1c(ccc2)F 11a_106832991635_100011997205 [0,2,0,0,0,0|1,0,0]=3 1032 B16R2.176317 CNC(=O)Cc1c[nH]c2c1c(ccc2)F 240690a_100102657272_100011997205 [0,2,0,0,0,0|1,0,0]=3 1033 B16R2.176317 CNC(=O)Cc1c[nH]c2c1c(ccc2)F 527a_100102657272_100011997205 [0,2,0,0,0,0|1,0,0]=3 1034 B16R2.176317 Cc1cccc2c1c(c[nH]2)CC(=O)CF 1458a_100102558282_100015361967 [0,2,0,0,0,0|1,0,0]=3 1035 B16R2.176317 O=C(CF)Cc1c[nH]c2c1c(ccc2)Br 1458a_100000692793_100015361967 [0,2,0,0,0,0|1,0,0]=3 1036 B16R2.176317 O=C(CF)Cc1c[nH]c2c1c(ccc2)Cl 1458a_100012339537_100015361967 [0,2,0,0,0,0|1,0,0]=3 1037 B16R2.176317 O=C(CF)Cc1c[nH]c2c1c(ccc2)F 1458a_100011997205_100015361967 [0,2,0,0,0,0|1,0,0]=3 1038 B16R2.176359 C#CC(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000211873_100009814428 [0,2,0,0,0,0|2,0,0]=4 1039 B16R2.176359 C#CC(=O)Cc1csc2c1cc(cc2)F 1458a_100000211873_100010109839 [0,2,0,0,0,0|2,0,0]=4 1040 B16R2.176359 C=CC(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000185746_100009814428 [0,2,0,0,0,0|2,0,0]=4 1041 B16R2.176359 C=CC(=O)Cc1csc2c1cc(cc2)F 1458a_100000185746_100010109839 [0,2,0,0,0,0|2,0,0]=4 1042 B16R2.176359 CCC(=O)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_100000210202 [0,2,0,0,0,0|1,0,0]=3 1043 B16R2.176359 CCC(=O)Cc1c[nH]c2c1cc(cc2)C 1458a_100102525273_100000210202 [0,2,0,0,0,0|1,0,0]=3 1044 B16R2.176359 CCC(=O)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_100000210202 [0,2,0,0,0,0|1,0,0]=3 1045 B16R2.176359 CCC(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_100000210202 [0,2,0,0,0,0|1,0,0]=3 1046 B16R2.176359 CCC(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_100000210202 [0,2,0,0,0,0|1,0,0]=3 1047 B16R2.176359 CCC(=O)Cc1coc2c1cc(cc2)C 1458a_100000188615_100000210202 [0,2,0,0,0,0|2,0,0]=4 1048 B16R2.176359 CCC(=O)Cc1csc2c1cc(cc2)C 1458a_100000242747_100000210202 [0,2,0,0,0,0|2,0,0]=4 1049 B16R2.176359 CCC(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000210414_100009814428 [0,2,0,0,0,0|2,0,0]=4 1050 B16R2.176359 CCC(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000692288_100000210202 [0,2,0,0,0,0|2,0,0]=4 1051 B16R2.176359 CCC(=O)Cc1csc2c1cc(cc2)F 1458a_100000210414_100010109839 [0,2,0,0,0,0|2,0,0]=4 1052 B16R2.176359 CCC(=O)Cc1n[nH]c2c1cc(cc2)Cl 1458a_100010209749_100000210202 [0,2,0,0,0,0|2,0,0]=4 1053 B16R2.176359 CCC(=O)Cc1n[nH]c2c1cc(cc2)F 1458a_200102525442_100000210202 [0,2,0,0,0,0|2,0,0]=4 1054 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)Br 11a_106832991635_100000742623 [0,2,0,0,0,0|1,0,0]=3 1055 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)Br 240690a_100102657272_100000742623 [0,2,0,0,0,0|1,0,0]=3 1056 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)Br 527a_100102657272_100000742623 [0,2,0,0,0,0|1,0,0]=3 1057 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)C 240690a_100102657272_100102525273 [0,2,0,0,0,0|1,0,0]=3 1058 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)C 527a_100102657272_100102525273 [0,2,0,0,0,0|1,0,0]=3 1059 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)Cl 11a_106832991635_100000758855 [0,2,0,0,0,0|1,0,0]=3 1060 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)Cl 1626a_100102657272_100000758855 [0,2,0,0,0,0|1,0,0]=3 1061 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)Cl 240690a_100102657272_100000758855 [0,2,0,0,0,0|1,0,0]=3 1062 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)Cl 527a_100102657272_100000758855 [0,2,0,0,0,0|1,0,0]=3 1063 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)F 11a_106832991635_100102525430 [0,2,0,0,0,0|1,0,0]=3 1064 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)F 1626a_100102657272_100102525430 [0,2,0,0,0,0|1,0,0]=3 1065 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)F 240690a_100102657272_100102525430 [0,2,0,0,0,0|1,0,0]=3 1066 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)F 527a_100102657272_100102525430 [0,2,0,0,0,0|1,0,0]=3 1067 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)O 11a_106832991635_100000031536 [0,2,0,0,0,0|1,0,0]=3 1068 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)O 240690a_100102657272_100000031536 [0,2,0,0,0,0|1,0,0]=3 1069 B16R2.176359 CNC(=O)Cc1c[nH]c2c1cc(cc2)O 527a_100102657272_100000031536 [0,2,0,0,0,0|1,0,0]=3 1070 B16R2.176359 CNC(=O)Cc1coc2c1cc(cc2)C 11a_106832991635_100000188615 [0,2,0,0,0,0|2,0,0]=4 1071 B16R2.176359 CNC(=O)Cc1coc2c1cc(cc2)C 1626a_100102657272_100000188615 [0,2,0,0,0,0|2,0,0]=4 1072 B16R2.176359 CNC(=O)Cc1coc2c1cc(cc2)C 240690a_100102657272_100000188615 [0,2,0,0,0,0|2,0,0]=4 1073 B16R2.176359 CNC(=O)Cc1coc2c1cc(cc2)C 527a_100102657272_100000188615 [0,2,0,0,0,0|2,0,0]=4 1074 B16R2.176359 CNC(=O)Cc1csc2c1cc(cc2)C 11a_106832991635_100000242747 [0,2,0,0,0,0|2,0,0]=4 1075 B16R2.176359 CNC(=O)Cc1csc2c1cc(cc2)C 1626a_100102657272_100000242747 [0,2,0,0,0,0|2,0,0]=4 1076 B16R2.176359 CNC(=O)Cc1csc2c1cc(cc2)C 240690a_100102657272_100000242747 [0,2,0,0,0,0|2,0,0]=4 1077 B16R2.176359 CNC(=O)Cc1csc2c1cc(cc2)C 527a_100102657272_100000242747 [0,2,0,0,0,0|2,0,0]=4 1078 B16R2.176359 CNC(=O)Cc1csc2c1cc(cc2)Cl 11a_106832991635_100000692288 [0,2,0,0,0,0|2,0,0]=4 1079 B16R2.176359 CNC(=O)Cc1csc2c1cc(cc2)Cl 1626a_100102657272_100000692288 [0,2,0,0,0,0|2,0,0]=4 1080 B16R2.176359 CNC(=O)Cc1csc2c1cc(cc2)Cl 240690a_100102657272_100000692288 [0,2,0,0,0,0|2,0,0]=4 1081 B16R2.176359 CNC(=O)Cc1csc2c1cc(cc2)Cl 527a_100102657272_100000692288 [0,2,0,0,0,0|2,0,0]=4 1082 B16R2.176359 CNC(=O)Cc1n[nH]c2c1cc(cc2)Cl 240690a_100102657272_100010209749 [0,2,0,0,0,0|2,0,0]=4 1083 B16R2.176359 CNC(=O)Cc1n[nH]c2c1cc(cc2)Cl 527a_100102657272_100010209749 [0,2,0,0,0,0|2,0,0]=4 1084 B16R2.176359 CNC(=O)Cc1n[nH]c2c1cc(cc2)F 240690a_100102657272_200102525442 [0,2,0,0,0,0|2,0,0]=4 1085 B16R2.176359 CNC(=O)Cc1n[nH]c2c1cc(cc2)F 527a_100102657272_200102525442 [0,2,0,0,0,0|2,0,0]=4 1086 B16R2.176359 Cc1ccc2[nH]cc(c2c1)CC(=O)CF 1458a_100102525273_100015361967 [0,2,0,0,0,0|1,0,0]=3 1087 B16R2.176359 Cc1ccc2occ(c2c1)CC(=O)CF 1458a_100000188615_100015361967 [0,2,0,0,0,0|2,0,0]=4 1088 B16R2.176359 Cc1ccc2scc(c2c1)CC(=O)CF 1458a_100000242747_100015361967 [0,2,0,0,0,0|2,0,0]=4 1089 B16R2.176359 O=C(CF)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_100015361967 [0,2,0,0,0,0|1,0,0]=3 1090 B16R2.176359 O=C(CF)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_100015361967 [0,2,0,0,0,0|1,0,0]=3 1091 B16R2.176359 O=C(CF)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_100015361967 [0,2,0,0,0,0|1,0,0]=3 1092 B16R2.176359 O=C(CF)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_100015361967 [0,2,0,0,0,0|1,0,0]=3 1093 B16R2.176359 O=C(CF)Cc1csc2c1cc(cc2)Cl 1458a_100000692288_100015361967 [0,2,0,0,0,0|2,0,0]=4 1094 B16R2.176359 O=C(CF)Cc1n[nH]c2c1cc(cc2)Cl 1458a_100010209749_100015361967 [0,2,0,0,0,0|2,0,0]=4 1095 B16R2.176359 O=C(CF)Cc1n[nH]c2c1cc(cc2)F 1458a_200102525442_100015361967 [0,2,0,0,0,0|2,0,0]=4 1096 B16R2.176359 O=C(CO)Cc1csc2c1cc(cc2)Cl 1458a_100000210174_100009814428 [0,2,0,0,0,0|1,0,0]=3 1097 B16R2.176359 O=C(CO)Cc1csc2c1cc(cc2)F 1458a_100000210174_100010109839 [0,2,0,0,0,0|1,0,0]=3 1098 B16R2.2482 C=Cc1ccc2c(c[nH]c2c1)OC(=O)C 271570a_100011290941_200009817283 [0,2,0,0,0,0|2,0,0]=4 1099 B16R2.2482 COc1ccc2c(c[nH]c2c1)CC(=O)C 1458a_100102525305_200000210301 [0,2,0,0,0,0|1,0,0]=3 1100 B16R2.2482 COc1ccc2c(c[nH]c2c1)CC(=O)[13CH3] 1458a_100102525305_200025704644 [0,2,0,0,0,0|1,0,0]=3 1101 B16R2.2482 COc1ccc2c(coc2c1)CC(=O)C 1458a_100000184357_200000210301 [0,2,0,0,0,0|2,0,0]=4 1102 B16R2.2482 COc1ccc2c(coc2c1)CC(=O)[13CH3] 1458a_100000184357_200025704644 [0,2,0,0,0,0|2,0,0]=4 1103 B16R2.13690 CC(=O)Cc1c[nH]c2c1cc(c(c2)F)F 1458a_100102524944_200000210301 [0,2,0,0,0,0|1,0,0]=3 1104 B16R2.13690 [13CH3]C(=O)Cc1c[nH]c2c1cc(c(c2)F)F 1458a_100102524944_200025704644 [0,2,0,0,0,0|1,0,0]=3 1105 B16R2.16135 CC(=O)Cc1coc2c1c(cc(c2)C)C 1458a_200011934317_200000210301 [0,2,0,0,0,0|2,0,0]=4 1106 B16R2.16135 Cc1cc(c2c(coc2c1)CC(=O)[13CH3])C 1458a_200011934317_200025704644 [0,2,0,0,0,0|2,0,0]=4 1107 B16R2.12021 CC(=O)CC1=C(Cc2c1cc(cc2)F)C 1458a_100000066454_200000210301 [0,2,0,0,0,0|2,0,0]=4 1108 B16R2.12021 CC(=O)Cc1c([nH]c2c1cc(cc2)Br)C 1458a_100000738758_200000210301 [0,2,0,0,0,0|1,0,0]=3 1109 B16R2.12021 CC(=O)Cc1c([nH]c2c1cc(cc2)Cl)C 1458a_100016600606_200000210301 [0,2,0,0,0,0|1,0,0]=3 1110 B16R2.12021 CC(=O)Cc1c([nH]c2c1cc(cc2)F)C 1458a_100000044558_200000210301 [0,2,0,0,0,0|1,0,0]=3 1111 B16R2.12021 CC1=C(c2cc(ccc2C1)F)CC(=O)[13CH3] 1458a_100000066454_200025704644 [0,2,0,0,0,0|2,0,0]=4 1112 B16R2.12021 Cc1[nH]c2ccc(cc2c1CC(=O)[13CH3])Br 1458a_100000738758_200025704644 [0,2,0,0,0,0|1,0,0]=3 1113 B16R2.12021 Cc1[nH]c2ccc(cc2c1CC(=O)[13CH3])Cl 1458a_100016600606_200025704644 [0,2,0,0,0,0|1,0,0]=3 1114 B16R2.12021 Cc1[nH]c2ccc(cc2c1CC(=O)[13CH3])F 1458a_100000044558_200025704644 [0,2,0,0,0,0|1,0,0]=3 1115 B16R2.44951 CC(=O)Cn1c(=O)n(c2c1cccc2)C 1458a_100000244626_200000210301 [0,2,0,0,0,0|2,0,0]=4 1116 B16R2.44951 Cn1c(=O)n(c2c1cccc2)CC(=O)[13CH3] 1458a_100000244626_200025704644 [0,2,0,0,0,0|2,0,0]=4 1117 B16R2.42567 C=Cc1ccc2[nH]cc(c2c1)CC(=O)N 271570a_100011290941_100009990690 [0,2,0,0,0,0|1,0,0]=3 1118 B16R2.42567 C=Cc1ccc2[nH]cc(c2c1)OC(=O)C 271570a_100011290941_100000755435 [0,2,0,0,0,0|2,0,0]=4 1119 B16R2.42567 CCc1ccc2[nH]cc(c2c1)CC(=O)C 1458a_100000049097_200000210301 [0,2,0,0,0,0|1,0,0]=3 1120 B16R2.42567 CCc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100000049097_200025704644 [0,2,0,0,0,0|1,0,0]=3 1121 B16R2.42567 COc1ccc2[nH]cc(c2c1)CC(=O)C 1458a_100000739362_200000210301 [0,2,0,0,0,0|1,0,0]=3 1122 B16R2.42567 COc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100000739362_200025704644 [0,2,0,0,0,0|1,0,0]=3 1123 B16R2.42567 CSc1ccc2[nH]cc(c2c1)CC(=O)N 62a_100009990690_200000210301 [0,2,0,0,0,0|1,0,0]=3 1124 B16R2.42567 [13CH3]Sc1ccc2[nH]cc(c2c1)CC(=O)N 62a_100009990690_200025704644 [0,2,0,0,0,0|1,0,0]=3 1125 B14R2.1073 C=Cc1cccc2c1CCC(=O)O2 271570a_100011290941_200015620928 [0,0,1,1,0,0|1,0,1]=4 1126 B14R2.768 CC(=O)Cc1cn2ccccc2n1 1458a_100000070787_100000689847 [0,0,1,1,0,0|2,0,0]=4 1127 B14R2.9440 CC(=O)Cc1cccc2c1[nH]nc2 1458a_100000070787_100000099550 [0,0,1,1,0,0|2,0,0]=4 1128 B14R2.9440 CC(=O)Cc1cccc2c1scc2 1458a_100000070787_100009816938 [0,0,1,1,0,0|2,0,0]=4 1129 B14R2.9440 CC(=O)Nc1cccc2c1[nH]cc2 11a_100000685717_100015343762 [0,0,1,1,0,0|2,0,0]=4 1130 B14R2.9440 CC(=O)Nc1cccc2c1[nH]cc2 1626a_100000685717_100015343762 [0,0,1,1,0,0|2,0,0]=4 1131 B14R2.9440 CC(=O)Nc1cccc2c1[nH]cc2 22a_100000685717_100000070787 [0,0,1,1,0,0|2,0,0]=4 1132 B14R2.9440 CC(=O)Nc1cccc2c1[nH]cc2 527a_100000685717_100103153847 [0,0,1,1,0,0|2,0,0]=4 1133 B16R3.2637 Oc1ccc2c(c1)[nH]c3c2cccc3 271570a_203496583355_100010206880 [0,0,0,1,0,1|1,0,1]=4 1134 B16R3.2583 Oc1ccc2[nH]c3ccccc3c2c1 271570a_203496583355_100011220005 [0,1,0,1,0,0|1,0,1]=4 1135 B16R3.2583 Oc1cnc2[nH]c3ccccc3c2c1 271570a_203496583355_100160480879 [0,1,0,1,0,0|1,0,1]=4 1136 B12R1.75 C=Cc1ccccc1CC(=O)C 271570a_100011290941_100011350739 [0,0,1,0,1,0|2,0,0]=4 1137 B12R1.75 C=Cc1ccccc1CC(=O)N 271570a_100011290941_200009814924 [0,0,1,0,1,0|2,0,0]=4 1138 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [0,0,1,0,1,0|1,0,0]=3 1139 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [0,0,1,0,1,0|1,0,0]=3 1140 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [0,0,1,0,1,0|2,0,0]=4 1141 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,0,1,0,1,0|1,0,1]=4 1142 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,0,1,0,1,0|1,0,1]=4 1143 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [0,0,1,0,1,0|1,0,0]=3 1144 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [0,0,1,0,1,0|2,0,0]=4 1145 B14R1.422 O=C(O)CNC/C=C/c1ccccc1 269956a_100016091260_100016265936 [0,0,1,0,0,1|1,0,1]=4 1146 B14R1.540 C=CC(NCC(=O)O)c1ccccc1 269956a_100016091260_200000085779 [0,0,1,0,0,1|1,0,1]=4 1147 B16R2.36 CC(=O)CCCc1c[nH]c2c1cccc2 1458a_100000181718_200000210301 [0,0,0,0,0,2|1,0,0]=3 1148 B16R2.36 CC(=O)CCOc1csc2c1cccc2 7a_100000077758_100000053229 [0,0,0,0,0,2|2,0,0]=4 1149 B16R2.36 CC(=O)CCSc1c[nH]c2c1cccn2 62a_100000053229_100011934613 [0,0,0,0,0,2|2,0,0]=4 1150 B16R2.36 CC(=O)CCSc1c[nH]c2c1ccnc2 62a_100000053229_100010232032 [0,0,0,0,0,2|2,0,0]=4 1151 B16R2.36 CC(=O)CCSc1c[nH]c2c1cncc2 62a_100000053229_100000753697 [0,0,0,0,0,2|2,0,0]=4 1152 B16R2.36 CC(=O)CCSc1c[nH]c2c1nccc2 62a_100000053229_100009817151 [0,0,0,0,0,2|2,0,0]=4 1153 B16R2.36 CC(=O)CCSc1coc2c1cccc2 62a_100000053229_100009812202 [0,0,0,0,0,2|2,0,0]=4 1154 B16R2.36 CC(=O)CCSc1csc2c1cccc2 62a_100000053229_100009813928 [0,0,0,0,0,2|2,0,0]=4 1155 B16R2.36 CC(=O)CCSc1n[nH]c2c1cccc2 62a_100000053229_100000050141 [0,0,0,0,0,2|2,0,0]=4 1156 B16R2.36 CC(=O)COCc1csc2c1cccc2 34a_100000211253_200000742921 [0,0,0,0,0,2|2,0,0]=4 1157 B16R2.36 CC(=O)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100015343762 [0,0,0,0,0,2|1,0,0]=3 1158 B16R2.36 CC(=O)NCCc1c[nH]c2c1cccc2 527a_100000211132_100103153847 [0,0,0,0,0,2|1,0,0]=3 1159 B16R2.36 CC(=O)NCCc1coc2c1cccc2 11a_100011934666_100015343762 [0,0,0,0,0,2|2,0,0]=4 1160 B16R2.36 CC(=O)NCCc1coc2c1cccc2 1626a_100011934666_100015343762 [0,0,0,0,0,2|2,0,0]=4 1161 B16R2.36 CC(=O)NCCc1coc2c1cccc2 240690a_100011934666_100015343762 [0,0,0,0,0,2|2,0,0]=4 1162 B16R2.36 CC(=O)NCCc1coc2c1cccc2 527a_100011934666_100103153847 [0,0,0,0,0,2|2,0,0]=4 1163 B16R2.36 CC(=O)NN=Cc1c[nH]c2c1cccc2 4a_100000189765_100000182151 [0,0,0,0,0,2|1,0,1]=4 1164 B16R2.36 CC(=O)OCOc1csc2c1cccc2 34a_100000077758_100009813279 [0,0,0,0,0,2|2,0,0]=4 1165 B16R2.36 CC(=O)OCSc1c[nH]c2c1cccn2 62a_100000076356_100011934613 [0,0,0,0,0,2|2,0,0]=4 1166 B16R2.36 CC(=O)OCSc1c[nH]c2c1ccnc2 62a_100000076356_100010232032 [0,0,0,0,0,2|2,0,0]=4 1167 B16R2.36 CC(=O)OCSc1c[nH]c2c1cncc2 62a_100000076356_100000753697 [0,0,0,0,0,2|2,0,0]=4 1168 B16R2.36 CC(=O)OCSc1c[nH]c2c1nccc2 62a_100000076356_100009817151 [0,0,0,0,0,2|2,0,0]=4 1169 B16R2.36 CC(=O)OCSc1coc2c1cccc2 62a_100000076356_100009812202 [0,0,0,0,0,2|2,0,0]=4 1170 B16R2.36 CC(=O)OCSc1csc2c1cccc2 62a_100000076356_100009813928 [0,0,0,0,0,2|2,0,0]=4 1171 B16R2.36 CC(=O)OCSc1n[nH]c2c1cccc2 62a_100000076356_100000050141 [0,0,0,0,0,2|2,0,0]=4 1172 B16R2.36 NC(=O)CCOc1csc2c1cccc2 34a_100000077758_100000731001 [0,0,0,0,0,2|2,0,0]=4 1173 B16R2.36 NC(=O)CCOc1csc2c1cccc2 7a_100000077758_100000744528 [0,0,0,0,0,2|2,0,0]=4 1174 B16R2.36 NC(=O)CCSc1c[nH]c2c1cccn2 62a_100000744528_100011934613 [0,0,0,0,0,2|2,0,0]=4 1175 B16R2.36 NC(=O)CCSc1c[nH]c2c1ccnc2 62a_100000744528_100010232032 [0,0,0,0,0,2|2,0,0]=4 1176 B16R2.36 NC(=O)CCSc1c[nH]c2c1cncc2 62a_100000744528_100000753697 [0,0,0,0,0,2|2,0,0]=4 1177 B16R2.36 NC(=O)CCSc1c[nH]c2c1nccc2 62a_100000744528_100009817151 [0,0,0,0,0,2|2,0,0]=4 1178 B16R2.36 NC(=O)CCSc1coc2c1cccc2 62a_100000744528_100009812202 [0,0,0,0,0,2|2,0,0]=4 1179 B16R2.36 NC(=O)CCSc1csc2c1cccc2 62a_100000744528_100009813928 [0,0,0,0,0,2|2,0,0]=4 1180 B16R2.36 NC(=O)CCSc1n[nH]c2c1cccc2 62a_100000744528_100000050141 [0,0,0,0,0,2|2,0,0]=4 1181 B16R2.36 NC(=O)CNCc1csc2c1cccc2 2230a_100000711301_200000742921 [0,0,0,0,0,2|2,0,0]=4 1182 B16R2.36 NC(=O)CNCc1csc2c1cccc2 34a_100000744611_100000187820 [0,0,0,0,0,2|2,0,0]=4 1183 B16R2.36 NC(=O)COCc1csc2c1cccc2 34a_100011219454_100000187820 [0,0,0,0,0,2|2,0,0]=4 1184 B16R2.36 NC(=O)CSCc1csc2c1cccc2 62a_100000747473_200000742921 [0,0,0,0,0,2|2,0,0]=4 1185 B16R2.36 NC(=O)CSCc1csc2c1cccc2 62a_200000742921_100000747473 [0,0,0,0,0,2|2,0,0]=4 1186 B16R2.36 O=C(O)CNCc1csc2c1cccc2 269956a_100016091260_200000742921 [0,0,0,0,0,2|1,0,0]=3 1187 B16R2.36 O=C(O)CNCc1noc2c1cccc2 269956a_100016091260_100009813815 [0,0,0,0,0,2|2,0,0]=4 1188 B16R2.36 O=C([O-])CNCc1csc2c1cccc2 34a_100000744611_100020667443 [0,0,0,0,0,2|1,0,1]=4 1189 B16R2.36 O=C([O-])COCc1csc2c1cccc2 34a_100011219454_100020667443 [0,0,0,0,0,2|1,0,1]=4 1190 B16R2.36 O=C([O-])CSCc1csc2c1cccc2 62a_100020667443_200000742921 [0,0,0,0,0,2|1,0,1]=4 1191 B16R2.36 O=C([O-])CSCc1csc2c1cccc2 62a_200000742921_100020667443 [0,0,0,0,0,2|1,0,1]=4 1192 B16R2.36 [13CH3]C(=O)CCCc1c[nH]c2c1cccc2 1458a_100000181718_200025704644 [0,0,0,0,0,2|1,0,0]=3 1193 B16R2.477 CC(=O)CCc1ccc2ccccc2c1 1458a_100000743016_200000210301 [0,0,0,0,0,2|2,0,0]=4 1194 B16R2.477 CC(=O)COc1ccc2ccccc2c1 1458a_100000185456_200000210301 [0,0,0,0,0,2|2,0,0]=4 1195 B16R2.477 CC(=O)CSc1ccc2ccccc2c1 1458a_100000181792_200000210301 [0,0,0,0,0,2|2,0,0]=4 1196 B16R2.477 CC(=O)CSc1cnc2ccccc2n1 1458a_100000185120_200000210301 [0,0,0,0,0,2|1,0,1]=4 1197 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 11a_100000739491_100015343762 [0,0,0,0,0,2|2,0,0]=4 1198 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 1626a_100000739491_100015343762 [0,0,0,0,0,2|2,0,0]=4 1199 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 240690a_100000739491_100015343762 [0,0,0,0,0,2|2,0,0]=4 1200 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 527a_100000739491_100103153847 [0,0,0,0,0,2|2,0,0]=4 1201 B16R2.477 CC(=O)NCc1ccc2ccccc2n1 11a_100015185970_100015343762 [0,0,0,0,0,2|2,0,0]=4 1202 B16R2.477 CC(=O)NCc1ccc2ccccc2n1 1626a_100015185970_100015343762 [0,0,0,0,0,2|2,0,0]=4 1203 B16R2.477 CC(=O)NCc1ccc2ccccc2n1 240690a_100015185970_100015343762 [0,0,0,0,0,2|2,0,0]=4 1204 B16R2.477 CC(=O)NCc1ccc2ccccc2n1 527a_100015185970_100103153847 [0,0,0,0,0,2|2,0,0]=4 1205 B16R2.477 CC(=O)NCc1cnc2ccccc2c1 11a_100000742225_100015343762 [0,0,0,0,0,2|1,0,1]=4 1206 B16R2.477 CC(=O)NCc1cnc2ccccc2c1 240690a_100000742225_100015343762 [0,0,0,0,0,2|1,0,1]=4 1207 B16R2.477 CC(=O)NCc1cnc2ccccc2c1 527a_100000742225_100103153847 [0,0,0,0,0,2|1,0,1]=4 1208 B16R2.477 NC(=O)CNc1ccc2ccccc2c1 34a_100000211940_100000187820 [0,0,0,0,0,2|2,0,0]=4 1209 B16R2.477 NC(=O)CNc1ccc2ccccc2c1 7a_100000211940_100000187820 [0,0,0,0,0,2|2,0,0]=4 1210 B16R2.477 NC(=O)COc1ccc2ccccc2c1 34a_100000185828_100000187820 [0,0,0,0,0,2|2,0,0]=4 1211 B16R2.477 NC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000187820 [0,0,0,0,0,2|2,0,0]=4 1212 B16R2.477 NC(=O)COc1cnc2ccccc2c1 34a_100011934006_100000187820 [0,0,0,0,0,2|1,0,1]=4 1213 B16R2.477 NC(=O)COc1cnc2ccccc2c1 7a_100011934006_100000187820 [0,0,0,0,0,2|1,0,1]=4 1214 B16R2.477 NC(=O)CSc1ccc2ccccc2c1 62a_100000747473_100000233703 [0,0,0,0,0,2|2,0,0]=4 1215 B16R2.477 NC(=O)CSc1ccc2ccccc2n1 62a_100000747473_100011291633 [0,0,0,0,0,2|2,0,0]=4 1216 B16R2.477 NC(=O)CSc1ccc2ccccc2n1 62a_100011291633_100000747473 [0,0,0,0,0,2|2,0,0]=4 1217 B16R2.477 NC(=O)CSc1cnc2ccccc2c1 62a_100000747473_100000737414 [0,0,0,0,0,2|1,0,1]=4 1218 B16R2.477 NC(=O)CSc1cnc2ccccc2n1 62a_100000747473_100000756483 [0,0,0,0,0,2|1,0,1]=4 1219 B16R2.477 NC(=O)CSc1cnc2ccccc2n1 62a_100000756483_100000747473 [0,0,0,0,0,2|1,0,1]=4 1220 B16R2.477 O=C([O-])CNc1ccc2ccccc2c1 34a_100000211940_100020667443 [0,0,0,0,0,2|1,0,1]=4 1221 B16R2.477 O=C([O-])COc1ccc2ccccc2c1 34a_100000185828_100020667443 [0,0,0,0,0,2|1,0,1]=4 1222 B16R2.477 O=C([O-])COc1cnc2ccccc2c1 34a_100011934006_100020667443 [0,0,0,0,0,2|0,0,2]=4 1223 B16R2.477 O=C([O-])CSc1ccc2ccccc2c1 62a_100020667443_100000233703 [0,0,0,0,0,2|1,0,1]=4 1224 B16R2.477 O=C([O-])CSc1ccc2ccccc2n1 62a_100011291633_100020667443 [0,0,0,0,0,2|1,0,1]=4 1225 B16R2.477 O=C([O-])CSc1ccc2ccccc2n1 62a_100020667443_100011291633 [0,0,0,0,0,2|1,0,1]=4 1226 B16R2.477 O=C([O-])CSc1cnc2ccccc2c1 62a_100020667443_100000737414 [0,0,0,0,0,2|0,0,2]=4 1227 B16R2.477 O=C([O-])CSc1cnc2ccccc2n1 62a_100000756483_100020667443 [0,0,0,0,0,2|0,0,2]=4 1228 B16R2.477 O=C([O-])CSc1cnc2ccccc2n1 62a_100020667443_100000756483 [0,0,0,0,0,2|0,0,2]=4 1229 B16R2.477 [13CH3]C(=O)CCc1ccc2ccccc2c1 1458a_100000743016_200025704644 [0,0,0,0,0,2|2,0,0]=4 1230 B16R2.477 [13CH3]C(=O)COc1ccc2ccccc2c1 1458a_100000185456_200025704644 [0,0,0,0,0,2|2,0,0]=4 1231 B16R2.477 [13CH3]C(=O)CSc1ccc2ccccc2c1 1458a_100000181792_200025704644 [0,0,0,0,0,2|2,0,0]=4 1232 B16R2.477 [13CH3]C(=O)CSc1cnc2ccccc2n1 1458a_100000185120_200025704644 [0,0,0,0,0,2|1,0,1]=4 1233 B16R2.179941 CC(=O)CCc1cccc2c1cccc2 1458a_100000070787_100011290781 [0,0,0,0,0,2|2,0,0]=4 1234 B16R2.179941 CC(=O)CCc1cccc2c1cccc2 1458a_100011218451_200000210301 [0,0,0,0,0,2|2,0,0]=4 1235 B16R2.179941 CC(=O)COc1cccc2c1cccc2 1458a_100000183701_200000210301 [0,0,0,0,0,2|2,0,0]=4 1236 B16R2.179941 CC(=O)COc1ncnc2c1cccc2 1458a_100000216300_200000210301 [0,0,0,0,0,2|1,0,1]=4 1237 B16R2.179941 CC(=O)NCc1cccc2c1cccc2 11a_100000753325_100015343762 [0,0,0,0,0,2|2,0,0]=4 1238 B16R2.179941 CC(=O)NCc1cccc2c1cccc2 1626a_100000753325_100015343762 [0,0,0,0,0,2|2,0,0]=4 1239 B16R2.179941 CC(=O)NCc1cccc2c1cccc2 240690a_100000753325_100015343762 [0,0,0,0,0,2|2,0,0]=4 1240 B16R2.179941 CC(=O)NCc1cccc2c1cccc2 527a_100000753325_100103153847 [0,0,0,0,0,2|2,0,0]=4 1241 B16R2.179941 CC(=O)NCc1ccnc2c1cccc2 11a_100015187208_100015343762 [0,0,0,0,0,2|1,0,1]=4 1242 B16R2.179941 CC(=O)NCc1ccnc2c1cccc2 1626a_100015187208_100015343762 [0,0,0,0,0,2|1,0,1]=4 1243 B16R2.179941 CC(=O)NCc1ccnc2c1cccc2 240690a_100015187208_100015343762 [0,0,0,0,0,2|1,0,1]=4 1244 B16R2.179941 CC(=O)NCc1ccnc2c1cccc2 527a_100015187208_100103153847 [0,0,0,0,0,2|1,0,1]=4 1245 B16R2.179941 CC(=O)NCc1nccc2c1cccc2 11a_100000735229_100015343762 [0,0,0,0,0,2|2,0,0]=4 1246 B16R2.179941 CC(=O)NCc1nccc2c1cccc2 240690a_100000735229_100015343762 [0,0,0,0,0,2|2,0,0]=4 1247 B16R2.179941 CC(=O)NCc1nccc2c1cccc2 527a_100000735229_100103153847 [0,0,0,0,0,2|2,0,0]=4 1248 B16R2.179941 NC(=O)CNc1cccc2c1cccc2 34a_100000185869_100000187820 [0,0,0,0,0,2|2,0,0]=4 1249 B16R2.179941 NC(=O)COc1cccc2c1cccc2 34a_100000210388_100000187820 [0,0,0,0,0,2|2,0,0]=4 1250 B16R2.179941 NC(=O)COc1cccc2c1cccc2 7a_100000210388_100000187820 [0,0,0,0,0,2|2,0,0]=4 1251 B16R2.179941 NC(=O)COc1cncc2c1cccc2 34a_100000066178_100000187820 [0,0,0,0,0,2|1,0,1]=4 1252 B16R2.179941 NC(=O)COc1cncc2c1cccc2 7a_100000066178_100000187820 [0,0,0,0,0,2|1,0,1]=4 1253 B16R2.179941 NC(=O)COc1nccc2c1cccc2 34a_102531767632_100000187820 [0,0,0,0,0,2|2,0,0]=4 1254 B16R2.179941 NC(=O)CSc1cccc2c1cccc2 62a_100000747473_100000210605 [0,0,0,0,0,2|2,0,0]=4 1255 B16R2.179941 NC(=O)CSc1ccnc2c1cccc2 62a_100000747473_100011215880 [0,0,0,0,0,2|1,0,1]=4 1256 B16R2.179941 NC(=O)CSc1ccnc2c1cccc2 62a_100011458314_100000747473 [0,0,0,0,0,2|1,0,1]=4 1257 B16R2.179941 NC(=O)CSc1cncc2c1cccc2 62a_100000187577_100000747473 [0,0,0,0,0,2|1,0,1]=4 1258 B16R2.179941 NC(=O)CSc1cncc2c1cccc2 62a_100000747473_100000187577 [0,0,0,0,0,2|1,0,1]=4 1259 B16R2.179941 NC(=O)CSc1cnnc2c1cccc2 62a_100000747473_100000063506 [0,0,0,0,0,2|1,0,1]=4 1260 B16R2.179941 NC(=O)CSc1nccc2c1cccc2 62a_100000747473_100011934041 [0,0,0,0,0,2|2,0,0]=4 1261 B16R2.179941 NC(=O)CSc1nccc2c1cccc2 62a_100011934041_100000747473 [0,0,0,0,0,2|2,0,0]=4 1262 B16R2.179941 NC(=O)CSc1ncnc2c1cccc2 62a_100000747473_100000217608 [0,0,0,0,0,2|1,0,1]=4 1263 B16R2.179941 NC(=O)CSc1ncnc2c1cccc2 62a_100000753007_100000747473 [0,0,0,0,0,2|1,0,1]=4 1264 B16R2.179941 O=C([O-])CNc1cccc2c1cccc2 34a_100000185869_100020667443 [0,0,0,0,0,2|1,0,1]=4 1265 B16R2.179941 O=C([O-])COc1cccc2c1cccc2 34a_100000210388_100020667443 [0,0,0,0,0,2|1,0,1]=4 1266 B16R2.179941 O=C([O-])COc1cncc2c1cccc2 34a_100000066178_100020667443 [0,0,0,0,0,2|0,0,2]=4 1267 B16R2.179941 O=C([O-])COc1nccc2c1cccc2 34a_102531767632_100020667443 [0,0,0,0,0,2|1,0,1]=4 1268 B16R2.179941 O=C([O-])CSc1cccc2c1cccc2 62a_100020667443_100000210605 [0,0,0,0,0,2|1,0,1]=4 1269 B16R2.179941 O=C([O-])CSc1ccnc2c1cccc2 62a_100011458314_100020667443 [0,0,0,0,0,2|0,0,2]=4 1270 B16R2.179941 O=C([O-])CSc1ccnc2c1cccc2 62a_100020667443_100011215880 [0,0,0,0,0,2|0,0,2]=4 1271 B16R2.179941 O=C([O-])CSc1cncc2c1cccc2 62a_100000187577_100020667443 [0,0,0,0,0,2|0,0,2]=4 1272 B16R2.179941 O=C([O-])CSc1cncc2c1cccc2 62a_100020667443_100000187577 [0,0,0,0,0,2|0,0,2]=4 1273 B16R2.179941 O=C([O-])CSc1cnnc2c1cccc2 62a_100020667443_100000063506 [0,0,0,0,0,2|0,0,2]=4 1274 B16R2.179941 O=C([O-])CSc1nccc2c1cccc2 62a_100011934041_100020667443 [0,0,0,0,0,2|1,0,1]=4 1275 B16R2.179941 O=C([O-])CSc1nccc2c1cccc2 62a_100020667443_100011934041 [0,0,0,0,0,2|1,0,1]=4 1276 B16R2.179941 O=C([O-])CSc1ncnc2c1cccc2 62a_100000753007_100020667443 [0,0,0,0,0,2|0,0,2]=4 1277 B16R2.179941 O=C([O-])CSc1ncnc2c1cccc2 62a_100020667443_100000217608 [0,0,0,0,0,2|0,0,2]=4 1278 B16R2.179941 [13CH3]C(=O)CCc1cccc2c1cccc2 1458a_100011218451_200025704644 [0,0,0,0,0,2|2,0,0]=4 1279 B16R2.179941 [13CH3]C(=O)COc1cccc2c1cccc2 1458a_100000183701_200025704644 [0,0,0,0,0,2|2,0,0]=4 1280 B16R2.179941 [13CH3]C(=O)COc1ncnc2c1cccc2 1458a_100000216300_200025704644 [0,0,0,0,0,2|1,0,1]=4